Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
562237 | 2lra RC | 18355 | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 H1 GLY 1 1HT GLY 1 8.666 3.098 16.021
2 H2 GLY 1 2HT GLY 1 7.280 3.803 16.692
3 H3 GLY 1 3HT GLY 1 7.182 3.000 15.204
4 HA2 GLY 1 1HA GLY 1 7.696 1.797 17.867
5 HA3 GLY 1 2HA GLY 1 6.264 1.576 16.869
6 H ALA 2 H ALA 2 6.198 -0.272 15.804
7 HA ALA 2 HA ALA 2 8.660 -1.788 15.427
8 HB1 ALA 2 1HB ALA 2 7.214 -3.641 14.816
9 HB2 ALA 2 2HB ALA 2 5.810 -2.576 14.825
10 HB3 ALA 2 3HB ALA 2 6.663 -2.921 16.329
11 H MET 3 H MET 3 9.716 -1.878 13.566
12 HA MET 3 HA MET 3 8.848 -0.240 11.368
13 HB2 MET 3 2HB MET 3 11.242 -0.585 12.202
14 HB3 MET 3 1HB MET 3 11.193 -2.135 11.376
15 HG2 MET 3 2HG MET 3 12.274 -0.497 9.989
16 HG3 MET 3 1HG MET 3 10.742 -0.976 9.262
17 HE1 MET 3 3HE MET 3 12.543 1.652 8.574
18 HE2 MET 3 1HE MET 3 11.273 2.852 8.346
19 HE3 MET 3 2HE MET 3 11.079 1.231 7.682
20 H ALA 4 H ALA 4 7.963 -0.872 9.462
21 HA ALA 4 HA ALA 4 6.738 -3.459 9.411
22 HB1 ALA 4 1HB ALA 4 6.698 -1.295 7.320
23 HB2 ALA 4 2HB ALA 4 5.563 -1.450 8.661
24 HB3 ALA 4 3HB ALA 4 5.620 -2.687 7.404
25 H PHE 5 H PHE 5 9.033 -4.414 9.409
26 HA PHE 5 HA PHE 5 9.388 -5.481 6.715
27 HB2 PHE 5 2HB PHE 5 11.672 -4.418 8.403
28 HB3 PHE 5 1HB PHE 5 11.890 -5.477 7.018
29 HD1 PHE 5 2HD PHE 5 11.191 -4.645 4.735
30 HD2 PHE 5 1HD PHE 5 11.457 -2.110 8.145
31 HE1 PHE 5 2HE PHE 5 11.312 -2.682 3.263
32 HE2 PHE 5 1HE PHE 5 11.576 -0.144 6.675
33 HZ PHE 5 HZ PHE 5 11.505 -0.427 4.231
34 H ASP 6 H ASP 6 8.410 -7.390 7.462
35 HA ASP 6 HA ASP 6 10.048 -8.907 9.372
36 HB2 ASP 6 2HB ASP 6 7.977 -8.019 10.471
37 HB3 ASP 6 1HB ASP 6 7.027 -8.965 9.333
38 H GLY 7 H GLY 7 7.064 -9.614 7.546
39 HA2 GLY 7 2HA GLY 7 7.244 -10.884 5.461
40 HA3 GLY 7 1HA GLY 7 8.592 -11.739 6.186
41 H GLU 8 H GLU 8 5.094 -11.284 6.303
42 HA GLU 8 HA GLU 8 4.620 -13.617 7.893
43 HB2 GLU 8 2HB GLU 8 2.940 -11.829 7.673
44 HB3 GLU 8 1HB GLU 8 2.793 -12.173 5.958
45 HG2 GLU 8 2HG GLU 8 0.946 -13.093 7.273
46 HG3 GLU 8 1HG GLU 8 1.855 -14.340 6.423
47 H ASP 9 H ASP 9 3.886 -15.665 7.149
48 HA ASP 9 HA ASP 9 5.478 -16.386 4.814
49 HB2 ASP 9 2HB ASP 9 4.272 -18.104 6.992
50 HB3 ASP 9 1HB ASP 9 5.299 -18.696 5.690
51 H GLU 10 H GLU 10 2.244 -15.793 5.400
52 HA GLU 10 HA GLU 10 1.262 -17.979 3.748
53 HB2 GLU 10 2HB GLU 10 -0.974 -17.158 4.318
54 HB3 GLU 10 1HB GLU 10 0.005 -17.420 5.755
55 HG2 GLU 10 2HG GLU 10 0.469 -15.006 5.847
56 HG3 GLU 10 1HG GLU 10 -0.586 -14.774 4.453
57 H VAL 11 H VAL 11 2.674 -15.180 3.005
58 HA VAL 11 HA VAL 11 0.862 -14.618 0.751
59 HB VAL 11 HB VAL 11 1.910 -12.382 0.624
60 HG11 VAL 11 1HG1 VAL 11 0.749 -13.026 3.332
61 HG12 VAL 11 2HG1 VAL 11 -0.171 -12.684 1.865
62 HG13 VAL 11 3HG1 VAL 11 0.832 -11.427 2.591
63 HG21 VAL 11 3HG2 VAL 11 3.318 -13.247 3.147
64 HG22 VAL 11 1HG2 VAL 11 3.287 -11.599 2.520
65 HG23 VAL 11 2HG2 VAL 11 4.069 -12.880 1.593
66 H THR 12 H THR 12 1.863 -14.061 -1.295
67 HA THR 12 HA THR 12 4.368 -15.526 -1.690
68 HB THR 12 HB THR 12 2.473 -16.252 -3.069
69 HG1 THR 12 1HG THR 12 4.688 -15.016 -4.352
70 HG21 THR 12 3HG2 THR 12 1.595 -14.789 -4.840
71 HG22 THR 12 1HG2 THR 12 2.560 -13.455 -4.207
72 HG23 THR 12 2HG2 THR 12 1.261 -14.142 -3.234
73 H GLY 13 H GLY 13 3.240 -12.370 -1.399
74 HA2 GLY 13 2HA GLY 13 5.346 -11.295 -3.152
75 HA3 GLY 13 1HA GLY 13 3.941 -10.398 -2.592
76 HA PRO 14 HA PRO 14 7.698 -10.154 0.417
77 HB2 PRO 14 2HB PRO 14 9.250 -8.205 -0.679
78 HB3 PRO 14 1HB PRO 14 9.508 -9.928 -0.970
79 HG2 PRO 14 2HG PRO 14 8.176 -7.892 -2.701
80 HG3 PRO 14 1HG PRO 14 9.249 -9.223 -3.160
81 HD2 PRO 14 2HD PRO 14 6.535 -9.317 -3.418
82 HD3 PRO 14 1HD PRO 14 7.547 -10.754 -3.171
83 H ASP 15 H ASP 15 7.161 -7.176 -1.446
84 HA ASP 15 HA ASP 15 6.722 -5.593 0.884
85 HB2 ASP 15 2HB ASP 15 6.168 -3.808 -0.721
86 HB3 ASP 15 1HB ASP 15 7.651 -4.641 -1.180
87 H ALA 16 H ALA 16 4.746 -7.416 -1.274
88 HA ALA 16 HA ALA 16 2.233 -6.313 -0.919
89 HB1 ALA 16 1HB ALA 16 1.343 -8.473 -1.557
90 HB2 ALA 16 2HB ALA 16 2.889 -9.243 -1.197
91 HB3 ALA 16 3HB ALA 16 2.765 -8.092 -2.528
92 H ASP 17 H ASP 17 4.130 -8.235 1.251
93 HA ASP 17 HA ASP 17 1.932 -8.735 3.065
94 HB2 ASP 17 2HB ASP 17 3.508 -10.471 3.040
95 HB3 ASP 17 1HB ASP 17 4.870 -9.359 3.069
96 H ARG 18 H ARG 18 4.962 -6.875 3.144
97 HA ARG 18 HA ARG 18 4.711 -6.005 5.792
98 HB2 ARG 18 2HB ARG 18 6.111 -4.274 3.810
99 HB3 ARG 18 1HB ARG 18 6.596 -4.722 5.431
100 HG2 ARG 18 2HG ARG 18 6.713 -6.478 2.992
101 HG3 ARG 18 1HG ARG 18 8.075 -5.674 3.766
102 HD2 ARG 18 2HD ARG 18 7.477 -6.993 5.853
103 HD3 ARG 18 1HD ARG 18 6.400 -7.939 4.823
104 HE ARG 18 HE ARG 18 9.336 -7.775 4.543
105 HH11 ARG 18 1HH1 ARG 18 6.313 -9.497 4.044
106 HH12 ARG 18 2HH1 ARG 18 7.073 -10.849 3.253
107 HH21 ARG 18 1HH2 ARG 18 10.325 -9.558 3.533
108 HH22 ARG 18 2HH2 ARG 18 9.352 -10.876 2.954
109 H ALA 19 H ALA 19 3.811 -4.411 2.751
110 HA ALA 19 HA ALA 19 2.971 -1.996 4.030
111 HB1 ALA 19 1HB ALA 19 3.774 -2.041 1.718
112 HB2 ALA 19 2HB ALA 19 2.158 -1.346 1.836
113 HB3 ALA 19 3HB ALA 19 2.368 -2.997 1.252
114 H ARG 20 H ARG 20 1.382 -4.925 2.966
115 HA ARG 20 HA ARG 20 -1.281 -3.983 3.106
116 HB2 ARG 20 2HB ARG 20 -0.585 -6.015 1.886
117 HB3 ARG 20 1HB ARG 20 -0.225 -6.796 3.417
118 HG2 ARG 20 2HG ARG 20 -2.606 -6.610 4.035
119 HG3 ARG 20 1HG ARG 20 -2.935 -5.912 2.444
120 HD2 ARG 20 2HD ARG 20 -2.181 -7.914 1.354
121 HD3 ARG 20 1HD ARG 20 -1.651 -8.601 2.887
122 HE ARG 20 HE ARG 20 -4.459 -8.180 2.098
123 HH11 ARG 20 1HH1 ARG 20 -2.033 -9.769 4.070
124 HH12 ARG 20 2HH1 ARG 20 -3.137 -10.984 4.667
125 HH21 ARG 20 1HH2 ARG 20 -5.904 -9.764 2.876
126 HH22 ARG 20 2HH2 ARG 20 -5.347 -10.966 4.003
127 H ALA 21 H ALA 21 0.825 -5.636 5.433
128 HA ALA 21 HA ALA 21 -1.037 -5.992 7.490
129 HB1 ALA 21 1HB ALA 21 1.925 -5.476 7.737
130 HB2 ALA 21 2HB ALA 21 1.171 -7.048 7.469
131 HB3 ALA 21 3HB ALA 21 0.884 -6.179 8.976
132 H ALA 22 H ALA 22 1.013 -3.228 6.695
133 HA ALA 22 HA ALA 22 0.329 -1.680 8.977
134 HB1 ALA 22 1HB ALA 22 2.355 -1.248 7.681
135 HB2 ALA 22 2HB ALA 22 1.339 0.191 7.772
136 HB3 ALA 22 3HB ALA 22 1.374 -0.771 6.294
137 H ALA 23 H ALA 23 -1.023 -2.026 5.757
138 HA ALA 23 HA ALA 23 -2.773 0.174 5.790
139 HB1 ALA 23 1HB ALA 23 -3.050 -2.445 4.329
140 HB2 ALA 23 2HB ALA 23 -2.184 -1.021 3.751
141 HB3 ALA 23 3HB ALA 23 -3.932 -0.960 3.969
142 H VAL 24 H VAL 24 -3.234 -3.204 6.755
143 HA VAL 24 HA VAL 24 -5.966 -3.144 7.289
144 HB VAL 24 HB VAL 24 -3.852 -4.733 8.761
145 HG11 VAL 24 1HG1 VAL 24 -5.695 -6.328 9.195
146 HG12 VAL 24 2HG1 VAL 24 -6.830 -5.161 8.513
147 HG13 VAL 24 3HG1 VAL 24 -5.933 -4.767 9.981
148 HG21 VAL 24 3HG2 VAL 24 -5.465 -5.406 6.305
149 HG22 VAL 24 1HG2 VAL 24 -4.409 -6.524 7.168
150 HG23 VAL 24 2HG2 VAL 24 -3.729 -5.103 6.373
151 H GLN 25 H GLN 25 -3.279 -1.976 9.159
152 HA GLN 25 HA GLN 25 -4.790 -1.650 11.586
153 HB2 GLN 25 2HB GLN 25 -2.033 -0.686 10.810
154 HB3 GLN 25 1HB GLN 25 -2.718 -0.589 12.428
155 HG2 GLN 25 2HG GLN 25 -2.814 -2.973 12.599
156 HG3 GLN 25 1HG GLN 25 -2.330 -3.157 10.916
157 HE21 GLN 25 1HE2 GLN 25 -0.336 -1.031 11.088
158 HE22 GLN 25 2HE2 GLN 25 0.989 -1.705 11.962
159 H ALA 26 H ALA 26 -4.496 0.098 8.725
160 HA ALA 26 HA ALA 26 -4.958 2.680 10.036
161 HB1 ALA 26 1HB ALA 26 -4.340 2.087 7.144
162 HB2 ALA 26 2HB ALA 26 -3.178 2.609 8.364
163 HB3 ALA 26 3HB ALA 26 -4.485 3.686 7.872
164 H VAL 27 H VAL 27 -6.509 0.293 7.998
165 HA VAL 27 HA VAL 27 -8.851 2.061 7.809
166 HB VAL 27 HB VAL 27 -7.991 1.458 5.619
167 HG11 VAL 27 1HG1 VAL 27 -8.012 -0.843 4.807
168 HG12 VAL 27 2HG1 VAL 27 -8.472 -1.407 6.412
169 HG13 VAL 27 3HG1 VAL 27 -6.900 -0.646 6.163
170 HG21 VAL 27 3HG2 VAL 27 -10.384 1.770 5.850
171 HG22 VAL 27 1HG2 VAL 27 -10.586 0.065 6.248
172 HG23 VAL 27 2HG2 VAL 27 -10.038 0.535 4.639
173 HA PRO 28 HA PRO 28 -10.634 -0.725 10.764
174 HB2 PRO 28 2HB PRO 28 -13.060 0.484 10.913
175 HB3 PRO 28 1HB PRO 28 -11.615 1.120 11.706
176 HG2 PRO 28 2HG PRO 28 -12.894 1.958 9.137
177 HG3 PRO 28 1HG PRO 28 -12.186 2.961 10.415
178 HD2 PRO 28 2HD PRO 28 -10.889 2.371 8.099
179 HD3 PRO 28 1HD PRO 28 -10.046 2.672 9.632
180 H GLY 29 H GLY 29 -10.821 -2.637 9.631
181 HA2 GLY 29 2HA GLY 29 -11.913 -4.370 8.613
182 HA3 GLY 29 1HA GLY 29 -13.398 -3.540 9.047
183 H GLY 30 H GLY 30 -10.888 -2.312 6.898
184 HA2 GLY 30 2HA GLY 30 -12.956 -2.000 4.845
185 HA3 GLY 30 1HA GLY 30 -11.414 -1.156 4.896
186 H THR 31 H THR 31 -11.949 -2.038 2.537
187 HA THR 31 HA THR 31 -11.127 -4.763 2.090
188 HB THR 31 HB THR 31 -11.468 -2.524 0.082
189 HG1 THR 31 1HG THR 31 -13.290 -3.789 1.598
190 HG21 THR 31 3HG2 THR 31 -11.821 -4.359 -1.515
191 HG22 THR 31 1HG2 THR 31 -11.482 -5.528 -0.240
192 HG23 THR 31 2HG2 THR 31 -10.215 -4.429 -0.789
193 H ALA 32 H ALA 32 -9.066 -5.368 2.188
194 HA ALA 32 HA ALA 32 -7.009 -3.488 1.237
195 HB1 ALA 32 1HB ALA 32 -6.707 -5.445 3.517
196 HB2 ALA 32 2HB ALA 32 -6.943 -3.707 3.694
197 HB3 ALA 32 3HB ALA 32 -5.480 -4.324 2.926
198 H GLY 33 H GLY 33 -5.611 -4.271 -0.225
199 HA2 GLY 33 2HA GLY 33 -5.674 -7.178 -0.759
200 HA3 GLY 33 1HA GLY 33 -5.702 -5.989 -2.054
201 H GLU 34 H GLU 34 -3.743 -7.989 -1.890
202 HA GLU 34 HA GLU 34 -1.377 -7.066 -0.668
203 HB2 GLU 34 2HB GLU 34 -0.300 -8.610 -2.498
204 HB3 GLU 34 1HB GLU 34 -1.199 -9.291 -1.154
205 HG2 GLU 34 2HG GLU 34 -1.830 -10.454 -3.114
206 HG3 GLU 34 1HG GLU 34 -3.186 -9.438 -2.641
207 H VAL 35 H VAL 35 0.386 -5.985 -1.471
208 HA VAL 35 HA VAL 35 -0.326 -4.117 -3.615
209 HB VAL 35 HB VAL 35 1.138 -2.513 -2.604
210 HG11 VAL 35 1HG1 VAL 35 -1.075 -2.637 -1.651
211 HG12 VAL 35 2HG1 VAL 35 0.094 -2.250 -0.387
212 HG13 VAL 35 3HG1 VAL 35 -0.552 -3.886 -0.522
213 HG21 VAL 35 3HG2 VAL 35 1.927 -4.690 -0.671
214 HG22 VAL 35 1HG2 VAL 35 2.396 -2.994 -0.542
215 HG23 VAL 35 2HG2 VAL 35 2.949 -3.960 -1.910
216 H GLU 36 H GLU 36 1.347 -3.393 -5.062
217 HA GLU 36 HA GLU 36 3.530 -5.340 -5.377
218 HB2 GLU 36 2HB GLU 36 3.376 -5.054 -7.790
219 HB3 GLU 36 1HB GLU 36 1.827 -5.576 -7.146
220 HG2 GLU 36 2HG GLU 36 1.101 -3.179 -7.194
221 HG3 GLU 36 1HG GLU 36 2.595 -2.816 -8.057
222 H THR 37 H THR 37 5.488 -4.482 -6.342
223 HA THR 37 HA THR 37 6.188 -1.980 -5.165
224 HB THR 37 HB THR 37 8.384 -2.403 -6.467
225 HG1 THR 37 1HG THR 37 7.074 -4.065 -7.790
226 HG21 THR 37 3HG2 THR 37 8.143 -2.842 -4.083
227 HG22 THR 37 1HG2 THR 37 9.107 -4.102 -4.854
228 HG23 THR 37 2HG2 THR 37 7.422 -4.413 -4.432
229 H GLU 38 H GLU 38 6.055 -0.031 -6.006
230 HA GLU 38 HA GLU 38 5.297 0.370 -8.758
231 HB2 GLU 38 2HB GLU 38 5.972 2.371 -6.588
232 HB3 GLU 38 1HB GLU 38 5.305 2.772 -8.166
233 HG2 GLU 38 2HG GLU 38 3.343 1.308 -7.578
234 HG3 GLU 38 1HG GLU 38 3.986 1.255 -5.936
235 H THR 39 H THR 39 6.667 2.699 -9.399
236 HA THR 39 HA THR 39 8.973 1.667 -10.598
237 HB THR 39 HB THR 39 9.509 4.135 -11.000
238 HG1 THR 39 1HG THR 39 8.213 4.746 -9.060
239 HG21 THR 39 3HG2 THR 39 6.768 3.126 -11.775
240 HG22 THR 39 1HG2 THR 39 8.272 2.778 -12.625
241 HG23 THR 39 2HG2 THR 39 7.649 4.428 -12.573
242 H GLY 40 H GLY 40 11.033 1.491 -9.945
243 HA2 GLY 40 2HA GLY 40 11.626 1.637 -7.191
244 HA3 GLY 40 1HA GLY 40 12.784 1.329 -8.476
245 H GLU 41 H GLU 41 12.674 3.666 -9.904
246 HA GLU 41 HA GLU 41 14.102 5.435 -8.118
247 HB2 GLU 41 2HB GLU 41 14.958 4.942 -10.385
248 HB3 GLU 41 1HB GLU 41 13.531 5.702 -11.077
249 HG2 GLU 41 2HG GLU 41 14.190 7.818 -9.974
250 HG3 GLU 41 1HG GLU 41 15.675 7.031 -9.440
251 H GLY 42 H GLY 42 13.037 6.859 -6.946
252 HA2 GLY 42 2HA GLY 42 11.611 9.000 -7.689
253 HA3 GLY 42 1HA GLY 42 10.383 7.739 -7.706
254 H ALA 43 H ALA 43 9.298 8.887 -6.006
255 HA ALA 43 HA ALA 43 10.636 8.736 -3.390
256 HB1 ALA 43 1HB ALA 43 9.738 10.934 -4.012
257 HB2 ALA 43 2HB ALA 43 8.922 10.276 -2.593
258 HB3 ALA 43 3HB ALA 43 8.128 10.230 -4.168
259 H ALA 44 H ALA 44 7.705 7.834 -5.137
260 HA ALA 44 HA ALA 44 6.751 6.235 -2.893
261 HB1 ALA 44 1HB ALA 44 5.126 7.555 -4.156
262 HB2 ALA 44 2HB ALA 44 4.783 5.830 -4.290
263 HB3 ALA 44 3HB ALA 44 5.553 6.683 -5.627
264 H ALA 45 H ALA 45 7.604 4.295 -2.636
265 HA ALA 45 HA ALA 45 8.514 2.810 -5.003
266 HB1 ALA 45 1HB ALA 45 10.189 3.210 -3.257
267 HB2 ALA 45 2HB ALA 45 9.865 1.490 -3.475
268 HB3 ALA 45 3HB ALA 45 9.175 2.351 -2.098
269 H TYR 46 H TYR 46 6.226 2.786 -2.414
270 HA TYR 46 HA TYR 46 5.261 0.149 -3.304
271 HB2 TYR 46 2HB TYR 46 5.059 1.164 -0.463
272 HB3 TYR 46 1HB TYR 46 4.691 -0.451 -1.051
273 HD1 TYR 46 1HD TYR 46 6.537 -2.004 -1.637
274 HD2 TYR 46 2HD TYR 46 7.292 1.824 0.062
275 HE1 TYR 46 1HE TYR 46 8.830 -2.705 -1.069
276 HE2 TYR 46 2HE TYR 46 9.581 1.134 0.622
277 HH TYR 46 HH TYR 46 10.834 -0.956 1.021
278 H GLY 47 H GLY 47 3.147 0.088 -3.855
279 HA2 GLY 47 2HA GLY 47 1.505 2.438 -3.137
280 HA3 GLY 47 1HA GLY 47 1.288 1.490 -4.604
281 H VAL 48 H VAL 48 0.150 2.017 -1.537
282 HA VAL 48 HA VAL 48 -0.727 -0.742 -1.112
283 HB VAL 48 HB VAL 48 -1.047 1.634 0.727
284 HG11 VAL 48 1HG1 VAL 48 -2.642 -0.131 1.160
285 HG12 VAL 48 2HG1 VAL 48 -1.431 -0.081 2.442
286 HG13 VAL 48 3HG1 VAL 48 -1.348 -1.326 1.195
287 HG21 VAL 48 3HG2 VAL 48 0.846 0.707 1.976
288 HG22 VAL 48 1HG2 VAL 48 1.313 1.177 0.341
289 HG23 VAL 48 2HG2 VAL 48 1.060 -0.524 0.733
290 H LEU 49 H LEU 49 -2.573 -1.255 -2.104
291 HA LEU 49 HA LEU 49 -4.563 0.793 -2.601
292 HB2 LEU 49 2HB LEU 49 -5.727 -0.975 -3.878
293 HB3 LEU 49 1HB LEU 49 -4.084 -0.697 -4.418
294 HG LEU 49 HG LEU 49 -3.792 -2.758 -2.605
295 HD11 LEU 49 1HD1 LEU 49 -6.298 -3.251 -4.206
296 HD12 LEU 49 2HD1 LEU 49 -6.217 -3.031 -2.458
297 HD13 LEU 49 3HD1 LEU 49 -5.451 -4.432 -3.207
298 HD21 LEU 49 3HD2 LEU 49 -3.419 -4.144 -4.589
299 HD22 LEU 49 1HD2 LEU 49 -2.669 -2.556 -4.751
300 HD23 LEU 49 2HD2 LEU 49 -4.180 -2.907 -5.591
301 H VAL 50 H VAL 50 -6.068 1.257 -1.177
302 HA VAL 50 HA VAL 50 -7.289 -0.934 0.348
303 HB VAL 50 HB VAL 50 -7.477 0.565 2.347
304 HG11 VAL 50 1HG1 VAL 50 -4.682 -0.162 1.490
305 HG12 VAL 50 2HG1 VAL 50 -5.842 -1.228 2.281
306 HG13 VAL 50 3HG1 VAL 50 -5.197 0.169 3.144
307 HG21 VAL 50 3HG2 VAL 50 -7.082 2.712 1.294
308 HG22 VAL 50 1HG2 VAL 50 -5.447 2.223 0.854
309 HG23 VAL 50 2HG2 VAL 50 -5.877 2.427 2.553
310 H THR 51 H THR 51 -9.458 -0.573 0.941
311 HA THR 51 HA THR 51 -10.729 1.766 -0.299
312 HB THR 51 HB THR 51 -11.714 -1.071 -0.636
313 HG1 THR 51 1HG THR 51 -9.814 0.295 -1.952
314 HG21 THR 51 3HG2 THR 51 -12.648 1.526 -1.875
315 HG22 THR 51 1HG2 THR 51 -13.510 0.603 -0.647
316 HG23 THR 51 2HG2 THR 51 -13.274 -0.078 -2.258
317 H ARG 52 H ARG 52 -12.064 2.739 1.068
318 HA ARG 52 HA ARG 52 -12.927 1.414 3.487
319 HB2 ARG 52 2HB ARG 52 -13.374 4.174 2.361
320 HB3 ARG 52 1HB ARG 52 -14.267 3.607 3.762
321 HG2 ARG 52 2HG ARG 52 -12.505 4.797 4.677
322 HG3 ARG 52 1HG ARG 52 -11.967 3.123 4.787
323 HD2 ARG 52 2HD ARG 52 -10.602 3.416 2.790
324 HD3 ARG 52 1HD ARG 52 -11.175 5.077 2.628
325 HE ARG 52 HE ARG 52 -9.805 4.322 5.106
326 HH11 ARG 52 1HH1 ARG 52 -9.703 6.037 2.045
327 HH12 ARG 52 2HH1 ARG 52 -8.347 7.023 2.501
328 HH21 ARG 52 1HH2 ARG 52 -8.044 5.601 5.702
329 HH22 ARG 52 2HH2 ARG 52 -7.402 6.780 4.590
330 HA PRO 53 HA PRO 53 -16.590 -0.435 1.919
331 HB2 PRO 53 2HB PRO 53 -18.250 -0.037 4.099
332 HB3 PRO 53 1HB PRO 53 -17.085 -1.355 3.934
333 HG2 PRO 53 2HG PRO 53 -16.824 1.236 5.396
334 HG3 PRO 53 1HG PRO 53 -16.271 -0.382 5.868
335 HD2 PRO 53 2HD PRO 53 -14.567 1.444 4.910
336 HD3 PRO 53 1HD PRO 53 -14.399 -0.276 4.495
337 H ASP 54 H ASP 54 -16.486 2.842 2.857
338 HA ASP 54 HA ASP 54 -19.137 3.634 2.259
339 HB2 ASP 54 2HB ASP 54 -16.591 5.263 2.132
340 HB3 ASP 54 1HB ASP 54 -18.228 5.908 2.188
341 H GLY 55 H GLY 55 -16.695 2.490 0.261
342 HA2 GLY 55 2HA GLY 55 -16.983 2.137 -2.059
343 HA3 GLY 55 1HA GLY 55 -18.126 3.475 -2.094
344 H THR 56 H THR 56 -14.979 3.618 -0.568
345 HA THR 56 HA THR 56 -14.061 5.369 -2.735
346 HB THR 56 HB THR 56 -14.756 6.858 -0.984
347 HG1 THR 56 1HG THR 56 -13.010 7.981 -1.296
348 HG21 THR 56 3HG2 THR 56 -12.995 5.252 0.865
349 HG22 THR 56 1HG2 THR 56 -14.756 5.342 0.906
350 HG23 THR 56 2HG2 THR 56 -13.792 6.771 1.279
351 H ARG 57 H ARG 57 -12.278 4.690 -3.592
352 HA ARG 57 HA ARG 57 -10.544 2.851 -2.084
353 HB2 ARG 57 2HB ARG 57 -11.421 1.845 -4.077
354 HB3 ARG 57 1HB ARG 57 -10.995 3.249 -5.040
355 HG2 ARG 57 2HG ARG 57 -8.625 2.759 -4.711
356 HG3 ARG 57 1HG ARG 57 -9.059 1.340 -3.753
357 HD2 ARG 57 2HD ARG 57 -10.063 0.278 -5.623
358 HD3 ARG 57 1HD ARG 57 -9.986 1.753 -6.585
359 HE ARG 57 HE ARG 57 -7.385 1.234 -6.020
360 HH11 ARG 57 1HH1 ARG 57 -9.980 -0.683 -7.378
361 HH12 ARG 57 2HH1 ARG 57 -8.937 -1.595 -8.433
362 HH21 ARG 57 1HH2 ARG 57 -5.998 0.056 -7.390
363 HH22 ARG 57 2HH2 ARG 57 -6.652 -1.193 -8.417
364 H VAL 58 H VAL 58 -8.572 3.464 -1.547
365 HA VAL 58 HA VAL 58 -7.354 5.761 -2.922
366 HB VAL 58 HB VAL 58 -7.461 5.332 0.076
367 HG11 VAL 58 1HG1 VAL 58 -6.199 7.424 0.256
368 HG12 VAL 58 2HG1 VAL 58 -6.048 7.482 -1.500
369 HG13 VAL 58 3HG1 VAL 58 -5.278 6.181 -0.592
370 HG21 VAL 58 3HG2 VAL 58 -9.522 6.269 -0.770
371 HG22 VAL 58 1HG2 VAL 58 -8.627 7.497 -1.668
372 HG23 VAL 58 2HG2 VAL 58 -8.616 7.512 0.095
373 H GLU 59 H GLU 59 -5.177 5.528 -3.320
374 HA GLU 59 HA GLU 59 -3.958 3.099 -2.213
375 HB2 GLU 59 2HB GLU 59 -2.291 3.296 -4.073
376 HB3 GLU 59 1HB GLU 59 -3.932 2.937 -4.581
377 HG2 GLU 59 2HG GLU 59 -4.244 5.261 -5.242
378 HG3 GLU 59 1HG GLU 59 -2.606 5.637 -4.704
379 H VAL 60 H VAL 60 -2.505 3.290 -0.739
380 HA VAL 60 HA VAL 60 -1.553 5.918 0.033
381 HB VAL 60 HB VAL 60 -0.876 3.267 1.306
382 HG11 VAL 60 1HG1 VAL 60 -0.826 6.078 2.378
383 HG12 VAL 60 2HG1 VAL 60 0.575 5.090 1.964
384 HG13 VAL 60 3HG1 VAL 60 -0.471 4.623 3.307
385 HG21 VAL 60 3HG2 VAL 60 -3.299 3.500 1.234
386 HG22 VAL 60 1HG2 VAL 60 -3.175 5.105 1.955
387 HG23 VAL 60 2HG2 VAL 60 -2.703 3.683 2.884
388 H HIS 61 H HIS 61 0.273 6.720 -0.729
389 HA HIS 61 HA HIS 61 2.168 4.923 -2.017
390 HB2 HIS 61 2HB HIS 61 1.869 7.917 -2.015
391 HB3 HIS 61 1HB HIS 61 3.251 7.100 -2.743
392 HD1 HIS 61 1HD HIS 61 -0.136 8.208 -3.501
393 HD2 HIS 61 2HD HIS 61 2.411 5.193 -4.828
394 HE1 HIS 61 1HE HIS 61 -1.090 7.416 -5.685
395 HE2 HIS 61 2HE HIS 61 0.309 5.426 -6.311
396 H LEU 62 H LEU 62 3.847 4.196 -1.053
397 HA LEU 62 HA LEU 62 4.719 5.451 1.460
398 HB2 LEU 62 2HB LEU 62 4.150 2.725 0.622
399 HB3 LEU 62 1HB LEU 62 5.734 2.868 1.359
400 HG LEU 62 HG LEU 62 4.888 3.274 3.442
401 HD11 LEU 62 1HD1 LEU 62 2.792 4.408 3.919
402 HD12 LEU 62 2HD1 LEU 62 2.361 4.390 2.210
403 HD13 LEU 62 3HD1 LEU 62 3.723 5.364 2.765
404 HD21 LEU 62 3HD2 LEU 62 2.535 1.958 2.106
405 HD22 LEU 62 1HD2 LEU 62 2.903 1.927 3.831
406 HD23 LEU 62 2HD2 LEU 62 3.983 1.131 2.684
407 H ASP 63 H ASP 63 6.934 5.632 1.897
408 HA ASP 63 HA ASP 63 8.527 5.926 -0.522
409 HB2 ASP 63 2HB ASP 63 9.938 7.359 0.713
410 HB3 ASP 63 1HB ASP 63 8.317 7.728 1.287
411 H ARG 64 H ARG 64 11.070 5.687 0.689
412 HA ARG 64 HA ARG 64 11.501 2.941 0.177
413 HB2 ARG 64 2HB ARG 64 13.426 4.874 1.463
414 HB3 ARG 64 1HB ARG 64 13.821 3.422 0.555
415 HG2 ARG 64 2HG ARG 64 12.951 4.444 -1.481
416 HG3 ARG 64 1HG ARG 64 12.527 5.899 -0.578
417 HD2 ARG 64 2HD ARG 64 14.917 6.160 0.021
418 HD3 ARG 64 1HD ARG 64 15.290 4.781 -1.011
419 HE ARG 64 HE ARG 64 13.992 7.197 -2.106
420 HH11 ARG 64 1HH1 ARG 64 16.578 4.831 -2.119
421 HH12 ARG 64 2HH1 ARG 64 17.333 5.471 -3.552
422 HH21 ARG 64 1HH2 ARG 64 14.974 8.043 -3.988
423 HH22 ARG 64 2HH2 ARG 64 16.403 7.287 -4.627
424 H ASP 65 H ASP 65 10.597 4.564 3.034
425 HA ASP 65 HA ASP 65 11.535 2.292 4.665
426 HB2 ASP 65 2HB ASP 65 11.286 5.198 5.472
427 HB3 ASP 65 1HB ASP 65 11.643 3.880 6.583
428 H PHE 66 H PHE 66 8.935 3.108 3.224
429 HA PHE 66 HA PHE 66 6.739 2.645 3.497
430 HB2 PHE 66 2HB PHE 66 7.871 1.273 5.902
431 HB3 PHE 66 1HB PHE 66 6.125 1.424 5.730
432 HD1 PHE 66 2HD PHE 66 5.043 0.527 3.659
433 HD2 PHE 66 1HD PHE 66 9.052 -0.378 4.735
434 HE1 PHE 66 2HE PHE 66 4.997 -1.415 2.162
435 HE2 PHE 66 1HE PHE 66 9.015 -2.328 3.235
436 HZ PHE 66 HZ PHE 66 6.979 -2.838 1.948
437 H ARG 67 H ARG 67 7.898 5.183 4.462
438 HA ARG 67 HA ARG 67 6.057 5.904 6.610
439 HB2 ARG 67 2HB ARG 67 8.440 6.805 6.414
440 HB3 ARG 67 1HB ARG 67 7.856 7.768 5.065
441 HG2 ARG 67 2HG ARG 67 6.273 8.887 6.506
442 HG3 ARG 67 1HG ARG 67 6.770 7.883 7.869
443 HD2 ARG 67 2HD ARG 67 9.106 8.793 7.508
444 HD3 ARG 67 1HD ARG 67 8.376 9.968 6.414
445 HE ARG 67 HE ARG 67 7.118 9.888 9.000
446 HH11 ARG 67 1HH1 ARG 67 9.708 11.273 7.094
447 HH12 ARG 67 2HH1 ARG 67 9.956 12.622 8.164
448 HH21 ARG 67 1HH2 ARG 67 7.440 11.648 10.422
449 HH22 ARG 67 2HH2 ARG 67 8.668 12.821 10.069
450 H VAL 68 H VAL 68 4.184 7.001 6.305
451 HA VAL 68 HA VAL 68 2.970 6.899 3.771
452 HB VAL 68 HB VAL 68 1.587 6.765 5.731
453 HG11 VAL 68 1HG1 VAL 68 2.441 9.584 6.374
454 HG12 VAL 68 2HG1 VAL 68 2.898 8.129 7.259
455 HG13 VAL 68 3HG1 VAL 68 1.215 8.656 7.237
456 HG21 VAL 68 3HG2 VAL 68 0.559 7.711 3.730
457 HG22 VAL 68 1HG2 VAL 68 1.012 9.332 4.255
458 HG23 VAL 68 2HG2 VAL 68 -0.151 8.395 5.193
459 H LEU 69 H LEU 69 3.495 8.095 2.098
460 HA LEU 69 HA LEU 69 4.544 10.770 2.408
461 HB2 LEU 69 2HB LEU 69 3.850 9.196 -0.076
462 HB3 LEU 69 1HB LEU 69 4.659 10.752 -0.063
463 HG LEU 69 HG LEU 69 5.752 8.175 1.068
464 HD11 LEU 69 1HD1 LEU 69 5.733 8.254 -1.373
465 HD12 LEU 69 2HD1 LEU 69 7.375 8.343 -0.736
466 HD13 LEU 69 3HD1 LEU 69 6.581 9.801 -1.332
467 HD21 LEU 69 3HD2 LEU 69 6.965 10.934 0.933
468 HD22 LEU 69 1HD2 LEU 69 7.813 9.466 1.420
469 HD23 LEU 69 2HD2 LEU 69 6.474 10.074 2.394
470 H ASP 70 H ASP 70 1.699 9.270 0.873
471 HA ASP 70 HA ASP 70 -0.077 11.304 1.682
472 HB2 ASP 70 2HB ASP 70 1.289 12.550 -0.069
473 HB3 ASP 70 1HB ASP 70 0.594 11.458 -1.262
474 H THR 71 H THR 71 -2.229 11.005 0.778
475 HA THR 71 HA THR 71 -2.590 8.395 -0.527
476 HB THR 71 HB THR 71 -4.716 8.178 0.855
477 HG1 THR 71 1HG THR 71 -3.741 10.541 1.825
478 HG21 THR 71 3HG2 THR 71 -2.060 8.096 2.284
479 HG22 THR 71 1HG2 THR 71 -2.763 6.806 1.308
480 HG23 THR 71 2HG2 THR 71 -3.533 7.287 2.820
481 H GLU 72 H GLU 72 -3.353 8.838 -2.490
482 HA GLU 72 HA GLU 72 -5.517 10.821 -2.715
483 HB2 GLU 72 2HB GLU 72 -4.951 10.840 -5.166
484 HB3 GLU 72 1HB GLU 72 -3.711 11.497 -4.109
485 HG2 GLU 72 2HG GLU 72 -3.495 8.631 -4.804
486 HG3 GLU 72 1HG GLU 72 -3.187 9.799 -6.089
487 HA PRO 73 HA PRO 73 -8.420 7.599 -3.637
488 HB2 PRO 73 2HB PRO 73 -9.641 9.552 -5.499
489 HB3 PRO 73 1HB PRO 73 -10.351 8.725 -4.109
490 HG2 PRO 73 2HG PRO 73 -9.738 11.319 -3.996
491 HG3 PRO 73 1HG PRO 73 -9.504 10.257 -2.594
492 HD2 PRO 73 2HD PRO 73 -7.484 11.304 -4.543
493 HD3 PRO 73 1HD PRO 73 -7.359 11.117 -2.780
494 H ALA 74 H ALA 74 -8.310 5.958 -5.008
495 HA ALA 74 HA ALA 74 -7.026 6.424 -7.611
496 HB1 ALA 74 1HB ALA 74 -7.225 3.861 -6.032
497 HB2 ALA 74 2HB ALA 74 -5.824 4.932 -6.071
498 HB3 ALA 74 3HB ALA 74 -6.336 4.098 -7.538
499 H ASP 75 H ASP 75 -8.216 6.251 -9.362
500 HA ASP 75 HA ASP 75 -10.742 4.735 -9.223
501 HB2 ASP 75 2HB ASP 75 -11.670 6.199 -10.864
502 HB3 ASP 75 1HB ASP 75 -10.867 7.236 -9.690
503 H GLY 76 H GLY 76 -11.393 4.051 -11.615
504 HA2 GLY 76 2HA GLY 76 -8.992 2.876 -12.871
505 HA3 GLY 76 1HA GLY 76 -10.394 1.883 -12.503
506 H ASP 77 H ASP 77 -10.504 5.186 -13.720
507 HA ASP 77 HA ASP 77 -12.026 4.186 -16.019
508 HB2 ASP 77 2HB ASP 77 -13.009 6.010 -14.669
509 HB3 ASP 77 1HB ASP 77 -11.627 7.030 -15.050
510 H GLY 78 H GLY 78 -8.945 5.376 -15.196
511 HA2 GLY 78 2HA GLY 78 -8.321 6.437 -17.808
512 HA3 GLY 78 1HA GLY 78 -7.215 6.268 -16.455
513 H GLY 79 H GLY 79 -8.674 4.659 -19.196
514 HA2 GLY 79 2HA GLY 79 -7.037 2.284 -18.888
515 HA3 GLY 79 1HA GLY 79 -8.121 2.644 -20.227
516 H LEU 80 H LEU 80 -6.004 1.641 -21.213
517 HA LEU 80 HA LEU 80 -4.515 3.900 -22.286
518 HB2 LEU 80 2HB LEU 80 -2.338 2.871 -21.957
519 HB3 LEU 80 1HB LEU 80 -3.122 3.168 -20.422
520 HG LEU 80 HG LEU 80 -3.167 0.447 -21.714
521 HD11 LEU 80 1HD1 LEU 80 -1.103 1.574 -19.825
522 HD12 LEU 80 2HD1 LEU 80 -0.840 1.106 -21.505
523 HD13 LEU 80 3HD1 LEU 80 -1.241 -0.118 -20.302
524 HD21 LEU 80 3HD2 LEU 80 -4.761 0.872 -19.892
525 HD22 LEU 80 1HD2 LEU 80 -3.426 1.353 -18.847
526 HD23 LEU 80 2HD2 LEU 80 -3.535 -0.308 -19.429
527 H GLU 81 H GLU 81 -4.770 3.755 -24.378
528 HA GLU 81 HA GLU 81 -3.853 1.572 -25.900
529 HB2 GLU 81 2HB GLU 81 -6.024 0.598 -25.118
530 HB3 GLU 81 1HB GLU 81 -6.862 1.919 -25.924
531 HG2 GLU 81 2HG GLU 81 -6.037 1.182 -28.070
532 HG3 GLU 81 1HG GLU 81 -5.079 -0.082 -27.299
Start of MODEL 2
1 H1 GLY 1 1HT GLY 1 4.269 -0.541 16.399
2 H2 GLY 1 2HT GLY 1 2.967 0.410 16.928
3 H3 GLY 1 3HT GLY 1 4.553 0.836 17.354
4 HA2 GLY 1 1HA GLY 1 3.422 0.849 14.613
5 HA3 GLY 1 2HA GLY 1 3.741 2.270 15.600
6 H ALA 2 H ALA 2 5.478 -0.666 14.540
7 HA ALA 2 HA ALA 2 7.849 1.022 14.077
8 HB1 ALA 2 1HB ALA 2 9.164 -1.024 14.201
9 HB2 ALA 2 2HB ALA 2 7.693 -1.980 14.377
10 HB3 ALA 2 3HB ALA 2 8.166 -0.851 15.646
11 H MET 3 H MET 3 9.241 0.170 12.200
12 HA MET 3 HA MET 3 7.674 0.197 9.822
13 HB2 MET 3 2HB MET 3 10.618 -0.256 10.309
14 HB3 MET 3 1HB MET 3 9.908 -0.240 8.704
15 HG2 MET 3 2HG MET 3 10.848 1.896 9.089
16 HG3 MET 3 1HG MET 3 9.096 2.077 9.172
17 HE1 MET 3 3HE MET 3 9.345 4.441 10.324
18 HE2 MET 3 1HE MET 3 11.099 4.294 10.209
19 HE3 MET 3 2HE MET 3 10.350 4.735 11.742
20 H ALA 4 H ALA 4 6.757 -1.462 8.822
21 HA ALA 4 HA ALA 4 7.110 -4.103 9.913
22 HB1 ALA 4 1HB ALA 4 4.870 -3.261 9.426
23 HB2 ALA 4 2HB ALA 4 5.223 -4.726 8.509
24 HB3 ALA 4 3HB ALA 4 5.282 -3.154 7.714
25 H PHE 5 H PHE 5 9.430 -4.014 9.077
26 HA PHE 5 HA PHE 5 9.556 -5.088 6.354
27 HB2 PHE 5 2HB PHE 5 11.732 -4.287 8.296
28 HB3 PHE 5 1HB PHE 5 12.047 -5.061 6.747
29 HD1 PHE 5 2HD PHE 5 10.865 -3.856 4.693
30 HD2 PHE 5 1HD PHE 5 11.841 -1.999 8.395
31 HE1 PHE 5 2HE PHE 5 10.846 -1.655 3.591
32 HE2 PHE 5 1HE PHE 5 11.820 0.203 7.301
33 HZ PHE 5 HZ PHE 5 11.325 0.377 4.897
34 H ASP 6 H ASP 6 9.305 -7.169 6.120
35 HA ASP 6 HA ASP 6 9.050 -9.377 6.540
36 HB2 ASP 6 2HB ASP 6 11.523 -9.285 6.938
37 HB3 ASP 6 1HB ASP 6 11.189 -9.076 8.656
38 H GLY 7 H GLY 7 7.085 -9.655 7.324
39 HA2 GLY 7 2HA GLY 7 6.483 -8.861 10.067
40 HA3 GLY 7 1HA GLY 7 5.312 -9.300 8.832
41 H GLU 8 H GLU 8 4.485 -11.307 8.858
42 HA GLU 8 HA GLU 8 5.648 -13.141 10.838
43 HB2 GLU 8 2HB GLU 8 3.290 -12.239 11.164
44 HB3 GLU 8 1HB GLU 8 2.823 -13.217 9.781
45 HG2 GLU 8 2HG GLU 8 3.420 -15.233 10.926
46 HG3 GLU 8 1HG GLU 8 4.099 -14.318 12.273
47 H ASP 9 H ASP 9 4.817 -15.516 10.286
48 HA ASP 9 HA ASP 9 6.344 -16.251 7.985
49 HB2 ASP 9 2HB ASP 9 6.411 -17.539 10.071
50 HB3 ASP 9 1HB ASP 9 4.705 -17.928 9.901
51 H GLU 10 H GLU 10 3.112 -15.395 8.343
52 HA GLU 10 HA GLU 10 1.857 -17.222 6.588
53 HB2 GLU 10 2HB GLU 10 1.109 -14.364 7.252
54 HB3 GLU 10 1HB GLU 10 0.072 -15.512 6.417
55 HG2 GLU 10 2HG GLU 10 1.118 -15.819 9.221
56 HG3 GLU 10 1HG GLU 10 -0.504 -15.292 8.780
57 H VAL 11 H VAL 11 2.891 -17.537 4.674
58 HA VAL 11 HA VAL 11 3.884 -15.298 3.149
59 HB VAL 11 HB VAL 11 3.792 -18.221 2.380
60 HG11 VAL 11 1HG1 VAL 11 5.328 -15.910 1.202
61 HG12 VAL 11 2HG1 VAL 11 4.000 -16.785 0.442
62 HG13 VAL 11 3HG1 VAL 11 5.530 -17.604 0.753
63 HG21 VAL 11 3HG2 VAL 11 6.019 -16.594 3.598
64 HG22 VAL 11 1HG2 VAL 11 6.164 -18.253 3.017
65 HG23 VAL 11 2HG2 VAL 11 5.117 -17.886 4.387
66 H THR 12 H THR 12 1.888 -14.206 2.810
67 HA THR 12 HA THR 12 0.244 -15.374 0.681
68 HB THR 12 HB THR 12 -0.953 -14.320 2.565
69 HG1 THR 12 1HG THR 12 -1.373 -12.562 0.392
70 HG21 THR 12 3HG2 THR 12 0.389 -11.772 1.654
71 HG22 THR 12 1HG2 THR 12 0.691 -12.616 3.172
72 HG23 THR 12 2HG2 THR 12 -0.884 -11.884 2.868
73 H GLY 13 H GLY 13 2.891 -13.438 1.227
74 HA2 GLY 13 2HA GLY 13 3.564 -12.925 -1.389
75 HA3 GLY 13 1HA GLY 13 2.653 -11.516 -0.849
76 HA PRO 14 HA PRO 14 7.242 -12.124 0.886
77 HB2 PRO 14 2HB PRO 14 8.084 -10.466 -1.418
78 HB3 PRO 14 1HB PRO 14 8.868 -11.873 -0.696
79 HG2 PRO 14 2HG PRO 14 7.580 -11.993 -3.052
80 HG3 PRO 14 1HG PRO 14 7.631 -13.363 -1.932
81 HD2 PRO 14 2HD PRO 14 5.415 -11.489 -2.558
82 HD3 PRO 14 1HD PRO 14 5.351 -13.194 -2.075
83 H ASP 15 H ASP 15 6.834 -9.239 -1.122
84 HA ASP 15 HA ASP 15 7.118 -7.534 1.218
85 HB2 ASP 15 2HB ASP 15 7.128 -5.696 -0.487
86 HB3 ASP 15 1HB ASP 15 8.390 -6.899 -0.732
87 H ALA 16 H ALA 16 4.696 -8.815 -0.808
88 HA ALA 16 HA ALA 16 2.696 -6.875 -0.661
89 HB1 ALA 16 1HB ALA 16 1.140 -8.635 -1.219
90 HB2 ALA 16 2HB ALA 16 2.312 -9.863 -0.740
91 HB3 ALA 16 3HB ALA 16 2.627 -8.845 -2.145
92 H ASP 17 H ASP 17 3.313 -9.664 1.470
93 HA ASP 17 HA ASP 17 1.144 -9.290 3.208
94 HB2 ASP 17 2HB ASP 17 2.254 -11.339 3.441
95 HB3 ASP 17 1HB ASP 17 3.840 -10.581 3.538
96 H ARG 18 H ARG 18 4.330 -7.841 3.203
97 HA ARG 18 HA ARG 18 4.296 -6.953 5.878
98 HB2 ARG 18 2HB ARG 18 5.889 -5.647 3.686
99 HB3 ARG 18 1HB ARG 18 6.305 -5.818 5.384
100 HG2 ARG 18 2HG ARG 18 6.322 -7.933 3.251
101 HG3 ARG 18 1HG ARG 18 7.682 -7.315 4.186
102 HD2 ARG 18 2HD ARG 18 6.564 -8.252 6.235
103 HD3 ARG 18 1HD ARG 18 5.408 -9.036 5.159
104 HE ARG 18 HE ARG 18 8.212 -9.575 4.605
105 HH11 ARG 18 1HH1 ARG 18 5.228 -10.731 6.077
106 HH12 ARG 18 2HH1 ARG 18 5.852 -12.339 6.343
107 HH21 ARG 18 1HH2 ARG 18 8.993 -11.685 4.917
108 HH22 ARG 18 2HH2 ARG 18 7.987 -12.881 5.677
109 H ALA 19 H ALA 19 3.511 -5.338 2.814
110 HA ALA 19 HA ALA 19 2.823 -2.881 4.177
111 HB1 ALA 19 1HB ALA 19 2.277 -2.033 1.960
112 HB2 ALA 19 2HB ALA 19 2.487 -3.646 1.283
113 HB3 ALA 19 3HB ALA 19 3.868 -2.795 1.972
114 H ARG 20 H ARG 20 1.184 -5.700 2.959
115 HA ARG 20 HA ARG 20 -1.430 -4.629 2.816
116 HB2 ARG 20 2HB ARG 20 -0.889 -6.724 1.725
117 HB3 ARG 20 1HB ARG 20 -0.484 -7.462 3.268
118 HG2 ARG 20 2HG ARG 20 -2.826 -7.259 3.969
119 HG3 ARG 20 1HG ARG 20 -3.217 -6.539 2.403
120 HD2 ARG 20 2HD ARG 20 -2.727 -8.530 1.247
121 HD3 ARG 20 1HD ARG 20 -1.912 -9.235 2.642
122 HE ARG 20 HE ARG 20 -4.681 -8.670 3.137
123 HH11 ARG 20 1HH1 ARG 20 -2.510 -10.985 1.635
124 HH12 ARG 20 2HH1 ARG 20 -3.543 -12.343 1.953
125 HH21 ARG 20 1HH2 ARG 20 -6.050 -10.451 3.514
126 HH22 ARG 20 2HH2 ARG 20 -5.563 -12.046 3.014
127 H ALA 21 H ALA 21 0.431 -6.099 5.420
128 HA ALA 21 HA ALA 21 -1.604 -6.228 7.354
129 HB1 ALA 21 1HB ALA 21 1.350 -5.789 7.756
130 HB2 ALA 21 2HB ALA 21 0.541 -7.351 7.625
131 HB3 ALA 21 3HB ALA 21 0.207 -6.295 8.996
132 H ALA 22 H ALA 22 0.462 -3.596 6.299
133 HA ALA 22 HA ALA 22 -0.335 -1.779 8.363
134 HB1 ALA 22 1HB ALA 22 1.816 -1.572 7.162
135 HB2 ALA 22 2HB ALA 22 0.854 -0.097 7.091
136 HB3 ALA 22 3HB ALA 22 0.928 -1.167 5.693
137 H ALA 23 H ALA 23 -1.360 -2.495 5.078
138 HA ALA 23 HA ALA 23 -3.139 -0.397 4.653
139 HB1 ALA 23 1HB ALA 23 -4.218 -1.873 3.020
140 HB2 ALA 23 2HB ALA 23 -3.331 -3.248 3.685
141 HB3 ALA 23 3HB ALA 23 -2.459 -1.934 2.890
142 H VAL 24 H VAL 24 -3.844 -3.662 5.899
143 HA VAL 24 HA VAL 24 -6.562 -3.077 6.482
144 HB VAL 24 HB VAL 24 -5.628 -5.370 6.113
145 HG11 VAL 24 1HG1 VAL 24 -3.634 -5.226 7.470
146 HG12 VAL 24 2HG1 VAL 24 -4.650 -6.561 8.015
147 HG13 VAL 24 3HG1 VAL 24 -4.611 -5.052 8.929
148 HG21 VAL 24 3HG2 VAL 24 -7.080 -6.480 7.748
149 HG22 VAL 24 1HG2 VAL 24 -7.861 -5.077 7.017
150 HG23 VAL 24 2HG2 VAL 24 -7.207 -4.970 8.651
151 H GLN 25 H GLN 25 -3.718 -2.166 8.012
152 HA GLN 25 HA GLN 25 -4.827 -2.003 10.692
153 HB2 GLN 25 2HB GLN 25 -2.282 -2.301 9.720
154 HB3 GLN 25 1HB GLN 25 -2.315 -0.582 10.088
155 HG2 GLN 25 2HG GLN 25 -1.444 -1.763 11.968
156 HG3 GLN 25 1HG GLN 25 -3.041 -1.145 12.387
157 HE21 GLN 25 1HE2 GLN 25 -2.569 -3.927 10.323
158 HE22 GLN 25 2HE2 GLN 25 -3.196 -5.097 11.441
159 H ALA 26 H ALA 26 -4.497 -0.065 7.861
160 HA ALA 26 HA ALA 26 -5.078 2.394 9.369
161 HB1 ALA 26 1HB ALA 26 -3.010 2.416 8.037
162 HB2 ALA 26 2HB ALA 26 -4.177 3.617 7.477
163 HB3 ALA 26 3HB ALA 26 -3.962 2.112 6.583
164 H VAL 27 H VAL 27 -6.931 0.200 8.245
165 HA VAL 27 HA VAL 27 -8.868 2.132 7.228
166 HB VAL 27 HB VAL 27 -7.927 0.995 5.249
167 HG11 VAL 27 1HG1 VAL 27 -7.328 -1.146 6.174
168 HG12 VAL 27 2HG1 VAL 27 -8.452 -1.376 4.834
169 HG13 VAL 27 3HG1 VAL 27 -9.021 -1.518 6.497
170 HG21 VAL 27 3HG2 VAL 27 -10.058 0.328 4.237
171 HG22 VAL 27 1HG2 VAL 27 -10.196 1.820 5.168
172 HG23 VAL 27 2HG2 VAL 27 -10.798 0.303 5.838
173 HA PRO 28 HA PRO 28 -11.147 0.036 10.410
174 HB2 PRO 28 2HB PRO 28 -13.433 1.465 10.207
175 HB3 PRO 28 1HB PRO 28 -11.968 2.108 10.956
176 HG2 PRO 28 2HG PRO 28 -13.057 2.576 8.211
177 HG3 PRO 28 1HG PRO 28 -12.313 3.729 9.333
178 HD2 PRO 28 2HD PRO 28 -10.991 2.597 7.226
179 HD3 PRO 28 1HD PRO 28 -10.186 3.144 8.711
180 H GLY 29 H GLY 29 -11.147 -1.913 9.051
181 HA2 GLY 29 2HA GLY 29 -12.380 -3.733 8.367
182 HA3 GLY 29 1HA GLY 29 -13.832 -2.803 8.701
183 H GLY 30 H GLY 30 -11.389 -1.646 6.502
184 HA2 GLY 30 2HA GLY 30 -13.345 -1.862 4.326
185 HA3 GLY 30 1HA GLY 30 -11.944 -0.798 4.350
186 H THR 31 H THR 31 -12.199 -2.071 2.090
187 HA THR 31 HA THR 31 -11.031 -4.693 2.102
188 HB THR 31 HB THR 31 -11.543 -2.836 -0.231
189 HG1 THR 31 1HG THR 31 -13.234 -4.904 -0.101
190 HG21 THR 31 3HG2 THR 31 -11.473 -4.893 -1.581
191 HG22 THR 31 1HG2 THR 31 -11.036 -5.812 -0.142
192 HG23 THR 31 2HG2 THR 31 -9.933 -4.592 -0.776
193 H ALA 32 H ALA 32 -8.973 -4.826 2.718
194 HA ALA 32 HA ALA 32 -7.006 -2.937 1.667
195 HB1 ALA 32 1HB ALA 32 -6.657 -5.148 3.691
196 HB2 ALA 32 2HB ALA 32 -6.940 -3.448 4.069
197 HB3 ALA 32 3HB ALA 32 -5.454 -3.936 3.249
198 H GLY 33 H GLY 33 -5.876 -3.429 -0.097
199 HA2 GLY 33 2HA GLY 33 -6.038 -6.196 -1.080
200 HA3 GLY 33 1HA GLY 33 -5.742 -4.777 -2.072
201 H GLU 34 H GLU 34 -4.184 -7.108 -2.178
202 HA GLU 34 HA GLU 34 -1.765 -6.640 -0.698
203 HB2 GLU 34 2HB GLU 34 -2.232 -8.504 -3.031
204 HB3 GLU 34 1HB GLU 34 -0.862 -8.535 -1.926
205 HG2 GLU 34 2HG GLU 34 -2.618 -8.874 -0.087
206 HG3 GLU 34 1HG GLU 34 -3.710 -9.279 -1.409
207 H VAL 35 H VAL 35 0.278 -6.169 -1.679
208 HA VAL 35 HA VAL 35 0.011 -4.407 -4.016
209 HB VAL 35 HB VAL 35 1.502 -2.783 -2.902
210 HG11 VAL 35 1HG1 VAL 35 -1.013 -3.418 -1.364
211 HG12 VAL 35 2HG1 VAL 35 -0.901 -2.431 -2.823
212 HG13 VAL 35 3HG1 VAL 35 -0.146 -1.883 -1.325
213 HG21 VAL 35 3HG2 VAL 35 1.107 -4.516 -0.466
214 HG22 VAL 35 1HG2 VAL 35 1.920 -2.953 -0.507
215 HG23 VAL 35 2HG2 VAL 35 2.612 -4.329 -1.367
216 H GLU 36 H GLU 36 1.921 -4.038 -5.203
217 HA GLU 36 HA GLU 36 4.128 -5.891 -4.630
218 HB2 GLU 36 2HB GLU 36 4.761 -5.692 -6.982
219 HB3 GLU 36 1HB GLU 36 3.106 -6.261 -6.827
220 HG2 GLU 36 2HG GLU 36 2.231 -4.150 -7.462
221 HG3 GLU 36 1HG GLU 36 3.817 -3.387 -7.343
222 H THR 37 H THR 37 6.307 -5.047 -5.066
223 HA THR 37 HA THR 37 6.631 -2.494 -3.836
224 HB THR 37 HB THR 37 8.655 -4.317 -5.149
225 HG1 THR 37 1HG THR 37 7.334 -4.880 -3.107
226 HG21 THR 37 3HG2 THR 37 9.087 -1.970 -3.301
227 HG22 THR 37 1HG2 THR 37 9.502 -2.028 -5.014
228 HG23 THR 37 2HG2 THR 37 10.335 -3.080 -3.868
229 H GLU 38 H GLU 38 6.308 -0.650 -4.869
230 HA GLU 38 HA GLU 38 6.393 -0.352 -7.688
231 HB2 GLU 38 2HB GLU 38 6.433 1.767 -5.526
232 HB3 GLU 38 1HB GLU 38 6.138 2.063 -7.234
233 HG2 GLU 38 2HG GLU 38 4.143 0.581 -7.077
234 HG3 GLU 38 1HG GLU 38 4.407 0.497 -5.336
235 H THR 39 H THR 39 7.964 0.548 -8.993
236 HA THR 39 HA THR 39 10.560 1.087 -7.756
237 HB THR 39 HB THR 39 11.576 -0.324 -9.674
238 HG1 THR 39 1HG THR 39 8.951 -1.440 -9.505
239 HG21 THR 39 3HG2 THR 39 10.169 -1.690 -7.375
240 HG22 THR 39 1HG2 THR 39 11.759 -0.927 -7.307
241 HG23 THR 39 2HG2 THR 39 11.509 -2.359 -8.308
242 H GLY 40 H GLY 40 12.168 1.763 -9.540
243 HA2 GLY 40 2HA GLY 40 12.336 2.680 -11.807
244 HA3 GLY 40 1HA GLY 40 10.750 3.391 -11.548
245 H GLU 41 H GLU 41 10.701 5.436 -10.981
246 HA GLU 41 HA GLU 41 13.052 6.597 -9.667
247 HB2 GLU 41 2HB GLU 41 12.780 8.603 -11.138
248 HB3 GLU 41 1HB GLU 41 13.300 7.152 -11.985
249 HG2 GLU 41 2HG GLU 41 10.889 6.786 -12.597
250 HG3 GLU 41 1HG GLU 41 10.574 8.404 -11.973
251 H GLY 42 H GLY 42 12.465 8.960 -8.995
252 HA2 GLY 42 2HA GLY 42 10.819 10.393 -8.021
253 HA3 GLY 42 1HA GLY 42 9.728 9.013 -7.926
254 H ALA 43 H ALA 43 9.321 9.011 -5.753
255 HA ALA 43 HA ALA 43 11.650 8.396 -4.062
256 HB1 ALA 43 1HB ALA 43 10.908 10.667 -3.600
257 HB2 ALA 43 2HB ALA 43 10.606 9.612 -2.218
258 HB3 ALA 43 3HB ALA 43 9.276 10.080 -3.278
259 H ALA 44 H ALA 44 8.630 7.431 -5.198
260 HA ALA 44 HA ALA 44 7.758 5.980 -2.881
261 HB1 ALA 44 1HB ALA 44 6.140 6.867 -4.474
262 HB2 ALA 44 2HB ALA 44 6.001 5.113 -4.344
263 HB3 ALA 44 3HB ALA 44 6.805 5.834 -5.739
264 H ALA 45 H ALA 45 8.155 3.935 -2.346
265 HA ALA 45 HA ALA 45 9.477 2.182 -4.308
266 HB1 ALA 45 1HB ALA 45 10.921 1.309 -2.545
267 HB2 ALA 45 2HB ALA 45 10.206 2.435 -1.390
268 HB3 ALA 45 3HB ALA 45 11.151 3.045 -2.748
269 H TYR 46 H TYR 46 7.296 2.555 -1.613
270 HA TYR 46 HA TYR 46 6.280 -0.145 -2.161
271 HB2 TYR 46 2HB TYR 46 6.750 1.096 0.551
272 HB3 TYR 46 1HB TYR 46 5.669 -0.272 0.306
273 HD1 TYR 46 1HD TYR 46 6.598 -2.446 -0.482
274 HD2 TYR 46 2HD TYR 46 9.108 0.809 0.601
275 HE1 TYR 46 1HE TYR 46 8.504 -3.989 -0.297
276 HE2 TYR 46 2HE TYR 46 11.018 -0.718 0.795
277 HH TYR 46 HH TYR 46 11.514 -3.041 1.100
278 H GLY 47 H GLY 47 4.014 -0.423 -1.679
279 HA2 GLY 47 2HA GLY 47 2.549 2.132 -1.560
280 HA3 GLY 47 1HA GLY 47 2.159 0.918 -2.772
281 H VAL 48 H VAL 48 0.634 2.129 -0.497
282 HA VAL 48 HA VAL 48 -0.332 -0.433 0.592
283 HB VAL 48 HB VAL 48 -0.164 2.227 2.029
284 HG11 VAL 48 1HG1 VAL 48 -2.286 1.117 2.528
285 HG12 VAL 48 2HG1 VAL 48 -1.217 1.115 3.930
286 HG13 VAL 48 3HG1 VAL 48 -1.417 -0.351 2.971
287 HG21 VAL 48 3HG2 VAL 48 1.233 1.012 3.628
288 HG22 VAL 48 1HG2 VAL 48 1.933 0.988 2.010
289 HG23 VAL 48 2HG2 VAL 48 1.107 -0.439 2.635
290 H LEU 49 H LEU 49 -2.191 -0.771 -0.550
291 HA LEU 49 HA LEU 49 -3.827 1.588 -1.142
292 HB2 LEU 49 2HB LEU 49 -4.832 0.381 -2.946
293 HB3 LEU 49 1HB LEU 49 -3.093 0.245 -3.079
294 HG LEU 49 HG LEU 49 -3.630 -2.056 -1.766
295 HD11 LEU 49 1HD1 LEU 49 -5.622 -3.075 -2.752
296 HD12 LEU 49 2HD1 LEU 49 -6.029 -1.544 -3.527
297 HD13 LEU 49 3HD1 LEU 49 -6.042 -1.673 -1.768
298 HD21 LEU 49 3HD2 LEU 49 -3.774 -1.611 -4.748
299 HD22 LEU 49 1HD2 LEU 49 -3.459 -3.153 -3.952
300 HD23 LEU 49 2HD2 LEU 49 -2.305 -1.829 -3.798
301 H VAL 50 H VAL 50 -5.610 1.936 -0.103
302 HA VAL 50 HA VAL 50 -6.944 -0.319 1.227
303 HB VAL 50 HB VAL 50 -7.664 1.376 2.991
304 HG11 VAL 50 1HG1 VAL 50 -6.036 -0.354 3.460
305 HG12 VAL 50 2HG1 VAL 50 -5.560 1.149 4.250
306 HG13 VAL 50 3HG1 VAL 50 -4.749 0.636 2.768
307 HG21 VAL 50 3HG2 VAL 50 -6.215 3.307 3.330
308 HG22 VAL 50 1HG2 VAL 50 -7.028 3.407 1.769
309 HG23 VAL 50 2HG2 VAL 50 -5.336 2.920 1.852
310 H THR 51 H THR 51 -8.907 -0.631 0.512
311 HA THR 51 HA THR 51 -10.242 1.479 -0.996
312 HB THR 51 HB THR 51 -11.181 -1.366 -0.594
313 HG1 THR 51 1HG THR 51 -9.193 -1.532 -1.575
314 HG21 THR 51 3HG2 THR 51 -12.871 0.175 -1.443
315 HG22 THR 51 1HG2 THR 51 -12.374 -0.951 -2.707
316 HG23 THR 51 2HG2 THR 51 -11.769 0.707 -2.713
317 H ARG 52 H ARG 52 -11.251 2.869 0.295
318 HA ARG 52 HA ARG 52 -12.405 2.214 2.798
319 HB2 ARG 52 2HB ARG 52 -11.991 4.575 1.229
320 HB3 ARG 52 1HB ARG 52 -13.677 4.525 1.722
321 HG2 ARG 52 2HG ARG 52 -12.442 5.764 3.348
322 HG3 ARG 52 1HG ARG 52 -12.930 4.232 4.069
323 HD2 ARG 52 2HD ARG 52 -10.691 3.327 3.621
324 HD3 ARG 52 1HD ARG 52 -10.214 4.878 2.931
325 HE ARG 52 HE ARG 52 -11.145 5.447 5.465
326 HH11 ARG 52 1HH1 ARG 52 -8.554 3.533 4.081
327 HH12 ARG 52 2HH1 ARG 52 -7.546 3.646 5.491
328 HH21 ARG 52 1HH2 ARG 52 -9.815 5.605 7.315
329 HH22 ARG 52 2HH2 ARG 52 -8.257 4.824 7.325
330 HA PRO 53 HA PRO 53 -16.160 0.225 1.571
331 HB2 PRO 53 2HB PRO 53 -17.376 1.640 3.882
332 HB3 PRO 53 1HB PRO 53 -17.325 -0.089 3.518
333 HG2 PRO 53 2HG PRO 53 -15.773 0.936 5.423
334 HG3 PRO 53 1HG PRO 53 -15.167 -0.333 4.342
335 HD2 PRO 53 2HD PRO 53 -14.638 2.611 4.294
336 HD3 PRO 53 1HD PRO 53 -13.526 1.261 3.992
337 H ASP 54 H ASP 54 -15.806 3.592 1.745
338 HA ASP 54 HA ASP 54 -18.437 4.356 0.934
339 HB2 ASP 54 2HB ASP 54 -15.884 5.927 0.547
340 HB3 ASP 54 1HB ASP 54 -17.525 6.555 0.664
341 H GLY 55 H GLY 55 -15.806 2.919 -0.637
342 HA2 GLY 55 2HA GLY 55 -16.022 2.032 -2.828
343 HA3 GLY 55 1HA GLY 55 -17.150 3.323 -3.212
344 H THR 56 H THR 56 -14.049 3.815 -1.642
345 HA THR 56 HA THR 56 -13.012 4.955 -4.139
346 HB THR 56 HB THR 56 -13.865 6.790 -2.692
347 HG1 THR 56 1HG THR 56 -12.214 8.016 -3.269
348 HG21 THR 56 3HG2 THR 56 -12.669 7.361 -0.626
349 HG22 THR 56 1HG2 THR 56 -11.728 5.874 -0.765
350 HG23 THR 56 2HG2 THR 56 -13.471 5.794 -0.500
351 H ARG 57 H ARG 57 -10.788 4.755 -4.439
352 HA ARG 57 HA ARG 57 -9.508 2.858 -2.590
353 HB2 ARG 57 2HB ARG 57 -9.896 2.179 -5.013
354 HB3 ARG 57 1HB ARG 57 -8.699 3.389 -5.450
355 HG2 ARG 57 2HG ARG 57 -7.062 2.209 -3.996
356 HG3 ARG 57 1HG ARG 57 -8.269 0.946 -3.746
357 HD2 ARG 57 2HD ARG 57 -7.129 0.025 -5.490
358 HD3 ARG 57 1HD ARG 57 -8.311 0.970 -6.391
359 HE ARG 57 HE ARG 57 -6.112 2.612 -6.004
360 HH11 ARG 57 1HH1 ARG 57 -6.935 -0.328 -7.703
361 HH12 ARG 57 2HH1 ARG 57 -5.599 -0.223 -8.815
362 HH21 ARG 57 1HH2 ARG 57 -4.346 2.789 -7.480
363 HH22 ARG 57 2HH2 ARG 57 -4.143 1.560 -8.702
364 H VAL 58 H VAL 58 -7.972 3.667 -1.352
365 HA VAL 58 HA VAL 58 -6.514 6.048 -2.293
366 HB VAL 58 HB VAL 58 -6.897 5.101 0.555
367 HG11 VAL 58 1HG1 VAL 58 -5.648 7.625 -0.523
368 HG12 VAL 58 2HG1 VAL 58 -4.789 6.282 0.227
369 HG13 VAL 58 3HG1 VAL 58 -5.911 7.253 1.180
370 HG21 VAL 58 3HG2 VAL 58 -8.352 7.043 0.825
371 HG22 VAL 58 1HG2 VAL 58 -8.980 5.943 -0.403
372 HG23 VAL 58 2HG2 VAL 58 -8.160 7.430 -0.885
373 H GLU 59 H GLU 59 -4.552 5.558 -3.041
374 HA GLU 59 HA GLU 59 -3.134 3.302 -1.807
375 HB2 GLU 59 2HB GLU 59 -1.641 3.437 -3.834
376 HB3 GLU 59 1HB GLU 59 -3.296 2.937 -4.144
377 HG2 GLU 59 2HG GLU 59 -3.841 5.149 -4.961
378 HG3 GLU 59 1HG GLU 59 -2.215 5.715 -4.579
379 H VAL 60 H VAL 60 -1.826 3.843 -0.274
380 HA VAL 60 HA VAL 60 -0.624 6.489 -0.170
381 HB VAL 60 HB VAL 60 -0.346 4.216 1.804
382 HG11 VAL 60 1HG1 VAL 60 0.270 5.990 3.381
383 HG12 VAL 60 2HG1 VAL 60 0.163 7.175 2.079
384 HG13 VAL 60 3HG1 VAL 60 1.385 5.905 2.017
385 HG21 VAL 60 3HG2 VAL 60 -2.698 4.841 1.511
386 HG22 VAL 60 1HG2 VAL 60 -2.291 6.520 1.854
387 HG23 VAL 60 2HG2 VAL 60 -2.096 5.293 3.104
388 H HIS 61 H HIS 61 1.358 6.911 -0.822
389 HA HIS 61 HA HIS 61 3.012 4.690 -1.761
390 HB2 HIS 61 2HB HIS 61 3.142 7.656 -2.289
391 HB3 HIS 61 1HB HIS 61 4.264 6.487 -2.964
392 HD1 HIS 61 1HD HIS 61 1.670 8.388 -4.181
393 HD2 HIS 61 2HD HIS 61 2.270 4.264 -4.148
394 HE1 HIS 61 1HE HIS 61 0.210 7.468 -6.004
395 HE2 HIS 61 2HE HIS 61 0.409 4.972 -5.806
396 H LEU 62 H LEU 62 4.715 4.045 -0.684
397 HA LEU 62 HA LEU 62 5.760 5.734 1.500
398 HB2 LEU 62 2HB LEU 62 5.455 2.774 1.151
399 HB3 LEU 62 1HB LEU 62 6.715 3.389 2.195
400 HG LEU 62 HG LEU 62 5.251 4.041 3.830
401 HD11 LEU 62 1HD1 LEU 62 2.904 4.632 3.487
402 HD12 LEU 62 2HD1 LEU 62 3.071 4.292 1.764
403 HD13 LEU 62 3HD1 LEU 62 3.970 5.623 2.490
404 HD21 LEU 62 3HD2 LEU 62 3.492 2.367 4.056
405 HD22 LEU 62 1HD2 LEU 62 5.012 1.651 3.515
406 HD23 LEU 62 2HD2 LEU 62 3.704 1.926 2.362
407 H ASP 63 H ASP 63 8.036 5.745 1.861
408 HA ASP 63 HA ASP 63 9.586 5.300 -0.569
409 HB2 ASP 63 2HB ASP 63 11.376 6.541 0.539
410 HB3 ASP 63 1HB ASP 63 9.870 7.446 0.609
411 H ARG 64 H ARG 64 12.084 4.898 0.619
412 HA ARG 64 HA ARG 64 12.167 2.084 0.622
413 HB2 ARG 64 2HB ARG 64 14.367 3.673 1.866
414 HB3 ARG 64 1HB ARG 64 14.463 2.310 0.762
415 HG2 ARG 64 2HG ARG 64 14.303 3.616 -1.088
416 HG3 ARG 64 1HG ARG 64 13.313 4.836 -0.279
417 HD2 ARG 64 2HD ARG 64 16.282 4.402 -0.042
418 HD3 ARG 64 1HD ARG 64 15.441 5.819 -0.673
419 HE ARG 64 HE ARG 64 14.917 5.125 2.104
420 HH11 ARG 64 1HH1 ARG 64 16.742 7.122 -0.126
421 HH12 ARG 64 2HH1 ARG 64 17.112 8.323 1.065
422 HH21 ARG 64 1HH2 ARG 64 15.387 6.680 3.658
423 HH22 ARG 64 2HH2 ARG 64 16.321 8.091 3.225
424 H ASP 65 H ASP 65 11.844 4.424 3.182
425 HA ASP 65 HA ASP 65 12.534 2.406 5.199
426 HB2 ASP 65 2HB ASP 65 12.218 5.405 5.414
427 HB3 ASP 65 1HB ASP 65 12.589 4.342 6.769
428 H PHE 66 H PHE 66 9.926 2.889 3.606
429 HA PHE 66 HA PHE 66 7.782 2.217 3.962
430 HB2 PHE 66 2HB PHE 66 9.183 0.900 5.906
431 HB3 PHE 66 1HB PHE 66 8.024 1.798 6.873
432 HD1 PHE 66 2HD PHE 66 5.569 1.459 6.452
433 HD2 PHE 66 1HD PHE 66 8.564 -1.010 4.704
434 HE1 PHE 66 2HE PHE 66 3.876 -0.265 5.995
435 HE2 PHE 66 1HE PHE 66 6.874 -2.741 4.244
436 HZ PHE 66 HZ PHE 66 4.529 -2.365 4.887
437 H ARG 67 H ARG 67 8.844 5.004 4.611
438 HA ARG 67 HA ARG 67 6.860 5.952 6.522
439 HB2 ARG 67 2HB ARG 67 9.049 6.905 6.752
440 HB3 ARG 67 1HB ARG 67 9.107 7.324 5.046
441 HG2 ARG 67 2HG ARG 67 7.276 8.930 5.403
442 HG3 ARG 67 1HG ARG 67 7.298 8.539 7.124
443 HD2 ARG 67 2HD ARG 67 9.671 9.591 5.599
444 HD3 ARG 67 1HD ARG 67 8.551 10.611 6.502
445 HE ARG 67 HE ARG 67 9.231 9.269 8.499
446 HH11 ARG 67 1HH1 ARG 67 11.350 9.558 5.717
447 HH12 ARG 67 2HH1 ARG 67 12.810 9.340 6.644
448 HH21 ARG 67 1HH2 ARG 67 11.144 8.986 9.719
449 HH22 ARG 67 2HH2 ARG 67 12.690 9.009 8.925
450 H VAL 68 H VAL 68 5.200 7.372 6.018
451 HA VAL 68 HA VAL 68 4.021 7.088 3.465
452 HB VAL 68 HB VAL 68 2.601 7.377 5.388
453 HG11 VAL 68 1HG1 VAL 68 3.875 10.088 5.717
454 HG12 VAL 68 2HG1 VAL 68 4.030 8.711 6.808
455 HG13 VAL 68 3HG1 VAL 68 2.470 9.510 6.611
456 HG21 VAL 68 3HG2 VAL 68 2.414 9.799 3.599
457 HG22 VAL 68 1HG2 VAL 68 1.118 9.159 4.611
458 HG23 VAL 68 2HG2 VAL 68 1.736 8.207 3.260
459 H LEU 69 H LEU 69 4.345 8.191 1.669
460 HA LEU 69 HA LEU 69 5.647 10.817 1.840
461 HB2 LEU 69 2HB LEU 69 5.581 8.862 -0.446
462 HB3 LEU 69 1HB LEU 69 6.320 10.450 -0.506
463 HG LEU 69 HG LEU 69 7.215 8.091 1.143
464 HD11 LEU 69 1HD1 LEU 69 9.235 8.299 -0.218
465 HD12 LEU 69 2HD1 LEU 69 8.491 9.622 -1.115
466 HD13 LEU 69 3HD1 LEU 69 7.808 7.998 -1.209
467 HD21 LEU 69 3HD2 LEU 69 7.457 10.185 2.416
468 HD22 LEU 69 1HD2 LEU 69 8.356 10.884 1.069
469 HD23 LEU 69 2HD2 LEU 69 9.016 9.507 1.950
470 H ASP 70 H ASP 70 3.388 9.008 -0.217
471 HA ASP 70 HA ASP 70 2.022 11.547 -0.806
472 HB2 ASP 70 2HB ASP 70 3.546 11.201 -2.627
473 HB3 ASP 70 1HB ASP 70 3.067 9.515 -2.779
474 H THR 71 H THR 71 -0.161 11.417 -1.103
475 HA THR 71 HA THR 71 -1.374 8.753 -0.731
476 HB THR 71 HB THR 71 -2.590 11.378 0.137
477 HG1 THR 71 1HG THR 71 -0.975 11.275 1.549
478 HG21 THR 71 3HG2 THR 71 -3.176 8.512 0.888
479 HG22 THR 71 1HG2 THR 71 -4.166 9.538 -0.152
480 HG23 THR 71 2HG2 THR 71 -3.978 9.933 1.557
481 H GLU 72 H GLU 72 -2.250 8.124 -2.619
482 HA GLU 72 HA GLU 72 -3.551 10.179 -4.281
483 HB2 GLU 72 2HB GLU 72 -1.937 7.767 -4.996
484 HB3 GLU 72 1HB GLU 72 -3.183 8.323 -6.104
485 HG2 GLU 72 2HG GLU 72 -0.922 10.018 -5.076
486 HG3 GLU 72 1HG GLU 72 -0.936 9.188 -6.631
487 HA PRO 73 HA PRO 73 -7.197 7.570 -3.826
488 HB2 PRO 73 2HB PRO 73 -8.750 9.803 -4.713
489 HB3 PRO 73 1HB PRO 73 -8.643 9.154 -3.077
490 HG2 PRO 73 2HG PRO 73 -7.704 11.637 -3.872
491 HG3 PRO 73 1HG PRO 73 -7.184 10.769 -2.417
492 HD2 PRO 73 2HD PRO 73 -5.836 10.999 -5.076
493 HD3 PRO 73 1HD PRO 73 -5.124 10.948 -3.448
494 H ALA 74 H ALA 74 -6.741 6.282 -5.626
495 HA ALA 74 HA ALA 74 -7.338 7.469 -8.254
496 HB1 ALA 74 1HB ALA 74 -5.137 5.495 -7.663
497 HB2 ALA 74 2HB ALA 74 -4.916 7.220 -7.964
498 HB3 ALA 74 3HB ALA 74 -5.537 6.174 -9.243
499 H ASP 75 H ASP 75 -8.319 6.154 -9.778
500 HA ASP 75 HA ASP 75 -9.412 3.637 -8.716
501 HB2 ASP 75 2HB ASP 75 -11.129 5.312 -9.234
502 HB3 ASP 75 1HB ASP 75 -10.515 5.446 -10.878
503 H GLY 76 H GLY 76 -9.689 1.866 -10.295
504 HA2 GLY 76 2HA GLY 76 -7.213 1.736 -11.846
505 HA3 GLY 76 1HA GLY 76 -8.163 0.369 -11.295
506 H ASP 77 H ASP 77 -10.316 2.538 -12.628
507 HA ASP 77 HA ASP 77 -10.488 0.937 -15.040
508 HB2 ASP 77 2HB ASP 77 -12.556 1.573 -13.894
509 HB3 ASP 77 1HB ASP 77 -12.179 3.276 -14.136
510 H GLY 78 H GLY 78 -10.276 4.441 -14.400
511 HA2 GLY 78 2HA GLY 78 -8.929 6.000 -15.490
512 HA3 GLY 78 1HA GLY 78 -8.396 4.735 -16.589
513 H GLY 79 H GLY 79 -9.370 4.511 -18.542
514 HA2 GLY 79 2HA GLY 79 -11.916 5.349 -19.271
515 HA3 GLY 79 1HA GLY 79 -10.840 6.714 -19.542
516 H LEU 80 H LEU 80 -11.790 6.185 -21.770
517 HA LEU 80 HA LEU 80 -10.040 4.242 -23.129
518 HB2 LEU 80 2HB LEU 80 -12.517 3.954 -23.367
519 HB3 LEU 80 1HB LEU 80 -12.588 5.525 -24.136
520 HG LEU 80 HG LEU 80 -10.771 3.518 -25.364
521 HD11 LEU 80 1HD1 LEU 80 -13.777 3.380 -25.602
522 HD12 LEU 80 2HD1 LEU 80 -12.744 2.170 -24.839
523 HD13 LEU 80 3HD1 LEU 80 -12.620 2.469 -26.573
524 HD21 LEU 80 3HD2 LEU 80 -12.750 5.505 -26.478
525 HD22 LEU 80 1HD2 LEU 80 -11.605 4.547 -27.414
526 HD23 LEU 80 2HD2 LEU 80 -11.016 5.773 -26.290
527 H GLU 81 H GLU 81 -8.550 4.973 -24.540
528 HA GLU 81 HA GLU 81 -7.149 6.384 -25.624
529 HB2 GLU 81 2HB GLU 81 -9.533 8.243 -25.690
530 HB3 GLU 81 1HB GLU 81 -8.007 8.564 -26.497
531 HG2 GLU 81 2HG GLU 81 -8.326 6.539 -27.855
532 HG3 GLU 81 1HG GLU 81 -9.887 6.286 -27.071
Start of MODEL 3
1 H1 GLY 1 1HT GLY 1 11.286 7.191 15.225
2 H2 GLY 1 2HT GLY 1 11.905 6.090 14.088
3 H3 GLY 1 3HT GLY 1 12.170 5.842 15.740
4 HA2 GLY 1 1HA GLY 1 9.872 5.413 16.134
5 HA3 GLY 1 2HA GLY 1 9.495 5.840 14.470
6 H ALA 2 H ALA 2 8.635 3.886 13.891
7 HA ALA 2 HA ALA 2 10.606 1.777 13.433
8 HB1 ALA 2 1HB ALA 2 9.497 1.104 15.495
9 HB2 ALA 2 2HB ALA 2 9.049 0.028 14.170
10 HB3 ALA 2 3HB ALA 2 7.922 1.271 14.719
11 H MET 3 H MET 3 10.614 1.701 11.303
12 HA MET 3 HA MET 3 8.369 2.427 9.693
13 HB2 MET 3 2HB MET 3 11.037 1.189 8.999
14 HB3 MET 3 1HB MET 3 9.833 1.631 7.799
15 HG2 MET 3 2HG MET 3 11.465 3.360 7.898
16 HG3 MET 3 1HG MET 3 9.976 3.975 8.607
17 HE1 MET 3 3HE MET 3 12.573 1.525 10.328
18 HE2 MET 3 1HE MET 3 13.665 2.688 11.074
19 HE3 MET 3 2HE MET 3 13.562 2.575 9.315
20 H ALA 4 H ALA 4 7.269 1.024 8.195
21 HA ALA 4 HA ALA 4 6.544 -1.421 9.518
22 HB1 ALA 4 1HB ALA 4 4.831 0.048 8.571
23 HB2 ALA 4 2HB ALA 4 4.762 -1.569 7.870
24 HB3 ALA 4 3HB ALA 4 5.478 -0.241 6.955
25 H PHE 5 H PHE 5 8.882 -2.143 9.071
26 HA PHE 5 HA PHE 5 8.827 -3.754 6.608
27 HB2 PHE 5 2HB PHE 5 11.153 -2.775 8.269
28 HB3 PHE 5 1HB PHE 5 11.318 -4.067 7.084
29 HD1 PHE 5 2HD PHE 5 11.060 -3.610 4.700
30 HD2 PHE 5 1HD PHE 5 10.900 -0.490 7.591
31 HE1 PHE 5 2HE PHE 5 11.381 -1.948 2.915
32 HE2 PHE 5 1HE PHE 5 11.215 1.177 5.810
33 HZ PHE 5 HZ PHE 5 11.456 0.450 3.472
34 H ASP 6 H ASP 6 7.207 -4.722 8.297
35 HA ASP 6 HA ASP 6 8.458 -7.157 9.211
36 HB2 ASP 6 2HB ASP 6 8.605 -5.645 11.193
37 HB3 ASP 6 1HB ASP 6 6.853 -5.464 11.145
38 H GLY 7 H GLY 7 7.230 -8.688 8.402
39 HA2 GLY 7 2HA GLY 7 4.329 -8.507 8.627
40 HA3 GLY 7 1HA GLY 7 4.975 -8.562 6.991
41 H GLU 8 H GLU 8 3.254 -10.494 8.174
42 HA GLU 8 HA GLU 8 4.905 -12.728 8.967
43 HB2 GLU 8 2HB GLU 8 1.984 -12.220 8.788
44 HB3 GLU 8 1HB GLU 8 2.526 -13.890 8.695
45 HG2 GLU 8 2HG GLU 8 1.997 -13.429 10.958
46 HG3 GLU 8 1HG GLU 8 3.752 -13.536 10.836
47 H ASP 9 H ASP 9 4.462 -14.876 7.954
48 HA ASP 9 HA ASP 9 5.254 -14.610 5.171
49 HB2 ASP 9 2HB ASP 9 6.697 -15.862 6.659
50 HB3 ASP 9 1HB ASP 9 5.364 -16.891 7.154
51 H GLU 10 H GLU 10 2.380 -14.854 6.587
52 HA GLU 10 HA GLU 10 1.287 -17.188 5.302
53 HB2 GLU 10 2HB GLU 10 -0.126 -14.992 6.822
54 HB3 GLU 10 1HB GLU 10 -0.803 -16.557 6.388
55 HG2 GLU 10 2HG GLU 10 1.439 -16.005 8.315
56 HG3 GLU 10 1HG GLU 10 -0.170 -16.627 8.683
57 H VAL 11 H VAL 11 2.311 -14.846 3.692
58 HA VAL 11 HA VAL 11 -0.057 -14.620 1.968
59 HB VAL 11 HB VAL 11 0.699 -12.344 1.280
60 HG11 VAL 11 1HG1 VAL 11 -0.012 -12.667 4.192
61 HG12 VAL 11 2HG1 VAL 11 -1.139 -12.570 2.840
62 HG13 VAL 11 3HG1 VAL 11 -0.153 -11.172 3.269
63 HG21 VAL 11 3HG2 VAL 11 2.219 -11.110 2.766
64 HG22 VAL 11 1HG2 VAL 11 3.018 -12.466 1.971
65 HG23 VAL 11 2HG2 VAL 11 2.530 -12.597 3.661
66 H THR 12 H THR 12 0.675 -13.842 -0.294
67 HA THR 12 HA THR 12 2.951 -15.480 -1.095
68 HB THR 12 HB THR 12 1.129 -13.944 -2.947
69 HG1 THR 12 1HG THR 12 -0.383 -15.139 -1.982
70 HG21 THR 12 3HG2 THR 12 2.655 -16.534 -3.270
71 HG22 THR 12 1HG2 THR 12 3.166 -14.963 -3.887
72 HG23 THR 12 2HG2 THR 12 1.703 -15.723 -4.514
73 H GLY 13 H GLY 13 4.851 -14.427 -0.870
74 HA2 GLY 13 2HA GLY 13 6.438 -12.753 -1.183
75 HA3 GLY 13 1HA GLY 13 5.218 -11.792 -2.019
76 HA PRO 14 HA PRO 14 4.800 -11.534 2.901
77 HB2 PRO 14 2HB PRO 14 7.675 -11.084 3.425
78 HB3 PRO 14 1HB PRO 14 6.494 -12.032 4.334
79 HG2 PRO 14 2HG PRO 14 8.348 -13.213 2.850
80 HG3 PRO 14 1HG PRO 14 6.708 -13.874 2.950
81 HD2 PRO 14 2HD PRO 14 7.996 -12.293 0.760
82 HD3 PRO 14 1HD PRO 14 6.883 -13.673 0.650
83 H ASP 15 H ASP 15 6.649 -9.654 0.665
84 HA ASP 15 HA ASP 15 6.741 -7.287 2.273
85 HB2 ASP 15 2HB ASP 15 7.084 -7.719 -0.697
86 HB3 ASP 15 1HB ASP 15 7.220 -6.140 0.075
87 H ALA 16 H ALA 16 4.382 -8.905 0.463
88 HA ALA 16 HA ALA 16 2.585 -6.765 0.024
89 HB1 ALA 16 1HB ALA 16 1.991 -9.691 0.482
90 HB2 ALA 16 2HB ALA 16 2.336 -8.942 -1.077
91 HB3 ALA 16 3HB ALA 16 0.878 -8.498 -0.189
92 H ASP 17 H ASP 17 3.440 -8.714 2.795
93 HA ASP 17 HA ASP 17 1.021 -8.029 4.235
94 HB2 ASP 17 2HB ASP 17 2.245 -10.255 4.401
95 HB3 ASP 17 1HB ASP 17 3.445 -9.411 5.376
96 H ARG 18 H ARG 18 4.329 -6.890 4.079
97 HA ARG 18 HA ARG 18 4.586 -5.576 6.523
98 HB2 ARG 18 2HB ARG 18 5.515 -4.015 4.188
99 HB3 ARG 18 1HB ARG 18 6.375 -4.472 5.643
100 HG2 ARG 18 2HG ARG 18 5.785 -6.492 3.531
101 HG3 ARG 18 1HG ARG 18 7.138 -5.378 3.362
102 HD2 ARG 18 2HD ARG 18 7.873 -6.186 5.666
103 HD3 ARG 18 1HD ARG 18 6.696 -7.488 5.456
104 HE ARG 18 HE ARG 18 8.636 -7.081 3.309
105 HH11 ARG 18 1HH1 ARG 18 7.694 -8.951 6.119
106 HH12 ARG 18 2HH1 ARG 18 8.664 -10.322 5.687
107 HH21 ARG 18 1HH2 ARG 18 9.899 -8.845 2.740
108 HH22 ARG 18 2HH2 ARG 18 9.923 -10.271 3.740
109 H ALA 19 H ALA 19 3.362 -4.280 3.456
110 HA ALA 19 HA ALA 19 2.481 -1.833 4.692
111 HB1 ALA 19 1HB ALA 19 3.415 -1.831 2.434
112 HB2 ALA 19 2HB ALA 19 1.762 -1.214 2.444
113 HB3 ALA 19 3HB ALA 19 2.088 -2.853 1.880
114 H ARG 20 H ARG 20 1.119 -4.902 3.956
115 HA ARG 20 HA ARG 20 -1.609 -4.177 3.796
116 HB2 ARG 20 2HB ARG 20 -0.698 -6.338 3.032
117 HB3 ARG 20 1HB ARG 20 -0.357 -6.775 4.698
118 HG2 ARG 20 2HG ARG 20 -2.772 -6.680 5.181
119 HG3 ARG 20 1HG ARG 20 -3.066 -6.340 3.467
120 HD2 ARG 20 2HD ARG 20 -2.186 -8.441 2.811
121 HD3 ARG 20 1HD ARG 20 -1.523 -8.742 4.414
122 HE ARG 20 HE ARG 20 -4.424 -8.676 3.867
123 HH11 ARG 20 1HH1 ARG 20 -1.598 -10.082 5.409
124 HH12 ARG 20 2HH1 ARG 20 -2.497 -11.352 6.178
125 HH21 ARG 20 1HH2 ARG 20 -5.607 -10.335 4.887
126 HH22 ARG 20 2HH2 ARG 20 -4.784 -11.486 5.908
127 H ALA 21 H ALA 21 0.527 -4.996 6.480
128 HA ALA 21 HA ALA 21 -1.411 -4.981 8.531
129 HB1 ALA 21 1HB ALA 21 0.471 -4.692 10.056
130 HB2 ALA 21 2HB ALA 21 1.519 -4.275 8.702
131 HB3 ALA 21 3HB ALA 21 0.845 -5.901 8.827
132 H ALA 22 H ALA 22 0.301 -2.440 6.860
133 HA ALA 22 HA ALA 22 -0.563 -0.355 8.646
134 HB1 ALA 22 1HB ALA 22 1.511 -0.141 7.352
135 HB2 ALA 22 2HB ALA 22 0.385 1.171 7.001
136 HB3 ALA 22 3HB ALA 22 0.575 -0.159 5.858
137 H ALA 23 H ALA 23 -1.581 -1.707 5.567
138 HA ALA 23 HA ALA 23 -3.506 0.131 4.800
139 HB1 ALA 23 1HB ALA 23 -2.720 -1.694 3.381
140 HB2 ALA 23 2HB ALA 23 -4.480 -1.664 3.477
141 HB3 ALA 23 3HB ALA 23 -3.566 -2.856 4.402
142 H VAL 24 H VAL 24 -3.914 -2.756 6.837
143 HA VAL 24 HA VAL 24 -6.699 -2.434 7.184
144 HB VAL 24 HB VAL 24 -5.557 -4.584 7.521
145 HG11 VAL 24 1HG1 VAL 24 -4.295 -5.052 9.541
146 HG12 VAL 24 2HG1 VAL 24 -4.465 -3.374 10.054
147 HG13 VAL 24 3HG1 VAL 24 -3.530 -3.763 8.611
148 HG21 VAL 24 3HG2 VAL 24 -7.042 -3.592 9.949
149 HG22 VAL 24 1HG2 VAL 24 -6.748 -5.287 9.557
150 HG23 VAL 24 2HG2 VAL 24 -7.748 -4.296 8.495
151 H GLN 25 H GLN 25 -4.025 -0.840 8.631
152 HA GLN 25 HA GLN 25 -5.615 0.116 10.882
153 HB2 GLN 25 2HB GLN 25 -2.803 -0.156 10.334
154 HB3 GLN 25 1HB GLN 25 -3.162 1.511 10.760
155 HG2 GLN 25 2HG GLN 25 -2.581 0.377 12.755
156 HG3 GLN 25 1HG GLN 25 -4.319 0.656 12.802
157 HE21 GLN 25 1HE2 GLN 25 -2.725 -1.833 10.911
158 HE22 GLN 25 2HE2 GLN 25 -3.367 -3.169 11.799
159 H ALA 26 H ALA 26 -4.776 1.011 7.704
160 HA ALA 26 HA ALA 26 -5.083 3.863 8.114
161 HB1 ALA 26 1HB ALA 26 -4.752 2.312 5.549
162 HB2 ALA 26 2HB ALA 26 -3.442 3.000 6.508
163 HB3 ALA 26 3HB ALA 26 -4.623 4.061 5.742
164 H VAL 27 H VAL 27 -6.983 1.172 6.920
165 HA VAL 27 HA VAL 27 -9.219 3.040 6.500
166 HB VAL 27 HB VAL 27 -8.603 1.992 4.393
167 HG11 VAL 27 1HG1 VAL 27 -9.089 -0.644 5.775
168 HG12 VAL 27 2HG1 VAL 27 -7.541 -0.033 5.192
169 HG13 VAL 27 3HG1 VAL 27 -8.820 -0.432 4.045
170 HG21 VAL 27 3HG2 VAL 27 -11.175 0.886 5.502
171 HG22 VAL 27 1HG2 VAL 27 -10.764 1.011 3.791
172 HG23 VAL 27 2HG2 VAL 27 -10.946 2.472 4.762
173 HA PRO 28 HA PRO 28 -10.829 0.979 10.095
174 HB2 PRO 28 2HB PRO 28 -13.231 2.266 10.137
175 HB3 PRO 28 1HB PRO 28 -11.726 2.994 10.708
176 HG2 PRO 28 2HG PRO 28 -13.138 3.352 8.099
177 HG3 PRO 28 1HG PRO 28 -12.333 4.562 9.115
178 HD2 PRO 28 2HD PRO 28 -11.185 3.507 6.895
179 HD3 PRO 28 1HD PRO 28 -10.244 4.034 8.306
180 H GLY 29 H GLY 29 -11.206 -1.120 9.556
181 HA2 GLY 29 2HA GLY 29 -12.485 -2.976 9.131
182 HA3 GLY 29 1HA GLY 29 -13.890 -1.919 9.150
183 H GLY 30 H GLY 30 -11.253 -1.383 6.947
184 HA2 GLY 30 2HA GLY 30 -13.116 -1.862 4.735
185 HA3 GLY 30 1HA GLY 30 -11.631 -0.925 4.650
186 H THR 31 H THR 31 -11.572 -2.349 2.649
187 HA THR 31 HA THR 31 -10.687 -5.071 3.176
188 HB THR 31 HB THR 31 -11.034 -3.621 0.543
189 HG1 THR 31 1HG THR 31 -12.889 -4.359 2.157
190 HG21 THR 31 3HG2 THR 31 -10.960 -5.860 -0.452
191 HG22 THR 31 1HG2 THR 31 -10.650 -6.560 1.138
192 HG23 THR 31 2HG2 THR 31 -9.457 -5.492 0.396
193 H ALA 32 H ALA 32 -8.657 -5.322 3.755
194 HA ALA 32 HA ALA 32 -6.577 -3.591 2.625
195 HB1 ALA 32 1HB ALA 32 -6.429 -5.595 4.880
196 HB2 ALA 32 2HB ALA 32 -6.580 -3.846 5.056
197 HB3 ALA 32 3HB ALA 32 -5.122 -4.539 4.348
198 H GLY 33 H GLY 33 -6.041 -4.352 0.659
199 HA2 GLY 33 2HA GLY 33 -6.001 -7.224 0.162
200 HA3 GLY 33 1HA GLY 33 -5.838 -5.953 -1.040
201 H GLU 34 H GLU 34 -4.215 -8.221 -0.953
202 HA GLU 34 HA GLU 34 -1.725 -7.633 0.289
203 HB2 GLU 34 2HB GLU 34 -0.885 -9.431 -1.344
204 HB3 GLU 34 1HB GLU 34 -2.060 -9.910 -0.129
205 HG2 GLU 34 2HG GLU 34 -3.824 -9.534 -1.927
206 HG3 GLU 34 1HG GLU 34 -2.482 -9.477 -3.068
207 H VAL 35 H VAL 35 -0.079 -6.437 -0.394
208 HA VAL 35 HA VAL 35 -0.505 -4.942 -2.880
209 HB VAL 35 HB VAL 35 0.840 -3.173 -1.923
210 HG11 VAL 35 1HG1 VAL 35 -1.241 -4.172 0.017
211 HG12 VAL 35 2HG1 VAL 35 -1.528 -3.163 -1.401
212 HG13 VAL 35 3HG1 VAL 35 -0.600 -2.532 -0.040
213 HG21 VAL 35 3HG2 VAL 35 1.153 -4.953 0.491
214 HG22 VAL 35 1HG2 VAL 35 1.719 -3.288 0.351
215 HG23 VAL 35 2HG2 VAL 35 2.421 -4.549 -0.664
216 H GLU 36 H GLU 36 1.294 -4.418 -4.222
217 HA GLU 36 HA GLU 36 3.463 -6.398 -4.041
218 HB2 GLU 36 2HB GLU 36 3.779 -6.007 -6.457
219 HB3 GLU 36 1HB GLU 36 2.148 -6.550 -6.089
220 HG2 GLU 36 2HG GLU 36 1.329 -4.270 -6.275
221 HG3 GLU 36 1HG GLU 36 2.964 -3.699 -6.607
222 H THR 37 H THR 37 5.621 -5.724 -4.519
223 HA THR 37 HA THR 37 6.260 -3.091 -3.559
224 HB THR 37 HB THR 37 8.121 -5.077 -4.881
225 HG1 THR 37 1HG THR 37 6.763 -5.265 -2.548
226 HG21 THR 37 3HG2 THR 37 9.075 -2.852 -4.590
227 HG22 THR 37 1HG2 THR 37 9.826 -3.995 -3.476
228 HG23 THR 37 2HG2 THR 37 8.611 -2.859 -2.888
229 H GLU 38 H GLU 38 5.992 -1.351 -4.830
230 HA GLU 38 HA GLU 38 5.924 -1.587 -7.699
231 HB2 GLU 38 2HB GLU 38 5.700 0.824 -5.890
232 HB3 GLU 38 1HB GLU 38 5.548 0.888 -7.640
233 HG2 GLU 38 2HG GLU 38 3.664 -0.791 -7.389
234 HG3 GLU 38 1HG GLU 38 3.727 -0.443 -5.662
235 H THR 39 H THR 39 7.737 -1.758 -8.796
236 HA THR 39 HA THR 39 10.015 -0.086 -7.986
237 HB THR 39 HB THR 39 11.342 -1.862 -9.341
238 HG1 THR 39 1HG THR 39 9.613 -3.810 -8.521
239 HG21 THR 39 3HG2 THR 39 11.635 -3.232 -7.340
240 HG22 THR 39 1HG2 THR 39 10.144 -2.580 -6.663
241 HG23 THR 39 2HG2 THR 39 11.533 -1.525 -6.911
242 H GLY 40 H GLY 40 10.594 1.441 -9.386
243 HA2 GLY 40 2HA GLY 40 10.861 1.196 -12.121
244 HA3 GLY 40 1HA GLY 40 9.217 1.756 -11.857
245 H GLU 41 H GLU 41 8.888 3.873 -11.642
246 HA GLU 41 HA GLU 41 11.277 5.580 -11.449
247 HB2 GLU 41 2HB GLU 41 8.690 6.009 -12.949
248 HB3 GLU 41 1HB GLU 41 9.951 7.224 -12.785
249 HG2 GLU 41 2HG GLU 41 11.492 5.908 -14.030
250 HG3 GLU 41 1HG GLU 41 10.403 4.522 -14.018
251 H GLY 42 H GLY 42 10.819 7.817 -10.647
252 HA2 GLY 42 2HA GLY 42 9.797 9.313 -9.184
253 HA3 GLY 42 1HA GLY 42 8.501 8.151 -8.941
254 H ALA 43 H ALA 43 8.537 8.459 -6.702
255 HA ALA 43 HA ALA 43 10.864 7.250 -5.354
256 HB1 ALA 43 1HB ALA 43 10.626 9.636 -4.830
257 HB2 ALA 43 2HB ALA 43 10.375 8.624 -3.407
258 HB3 ALA 43 3HB ALA 43 8.992 9.337 -4.238
259 H ALA 44 H ALA 44 7.923 6.518 -6.358
260 HA ALA 44 HA ALA 44 6.795 5.434 -3.924
261 HB1 ALA 44 1HB ALA 44 4.979 4.645 -5.361
262 HB2 ALA 44 2HB ALA 44 5.877 5.161 -6.789
263 HB3 ALA 44 3HB ALA 44 5.306 6.358 -5.626
264 H ALA 45 H ALA 45 7.904 3.757 -3.125
265 HA ALA 45 HA ALA 45 8.800 1.654 -4.970
266 HB1 ALA 45 1HB ALA 45 10.287 0.927 -3.189
267 HB2 ALA 45 2HB ALA 45 9.603 2.138 -2.104
268 HB3 ALA 45 3HB ALA 45 10.519 2.643 -3.524
269 H TYR 46 H TYR 46 6.393 2.376 -2.719
270 HA TYR 46 HA TYR 46 5.507 -0.407 -2.739
271 HB2 TYR 46 2HB TYR 46 5.780 1.270 -0.232
272 HB3 TYR 46 1HB TYR 46 4.858 -0.226 -0.315
273 HD1 TYR 46 1HD TYR 46 6.061 -2.376 -0.771
274 HD2 TYR 46 2HD TYR 46 8.140 1.249 0.037
275 HE1 TYR 46 1HE TYR 46 8.086 -3.664 -0.245
276 HE2 TYR 46 2HE TYR 46 10.176 -0.031 0.563
277 HH TYR 46 HH TYR 46 10.759 -2.329 1.323
278 H GLY 47 H GLY 47 3.375 -0.590 -3.101
279 HA2 GLY 47 2HA GLY 47 1.759 1.876 -2.894
280 HA3 GLY 47 1HA GLY 47 1.510 0.645 -4.125
281 H VAL 48 H VAL 48 0.446 1.808 -1.218
282 HA VAL 48 HA VAL 48 -0.532 -0.772 -0.232
283 HB VAL 48 HB VAL 48 -0.897 1.970 0.991
284 HG11 VAL 48 1HG1 VAL 48 -1.376 0.722 3.050
285 HG12 VAL 48 2HG1 VAL 48 -1.220 -0.793 2.161
286 HG13 VAL 48 3HG1 VAL 48 -2.524 0.330 1.768
287 HG21 VAL 48 3HG2 VAL 48 1.472 1.451 0.834
288 HG22 VAL 48 1HG2 VAL 48 1.193 -0.115 1.593
289 HG23 VAL 48 2HG2 VAL 48 0.929 1.367 2.511
290 H LEU 49 H LEU 49 -2.480 -1.470 -0.930
291 HA LEU 49 HA LEU 49 -4.304 0.544 -2.021
292 HB2 LEU 49 2HB LEU 49 -5.467 -1.337 -3.104
293 HB3 LEU 49 1HB LEU 49 -3.789 -1.199 -3.580
294 HG LEU 49 HG LEU 49 -3.768 -3.020 -1.464
295 HD11 LEU 49 1HD1 LEU 49 -6.058 -3.586 -3.346
296 HD12 LEU 49 2HD1 LEU 49 -6.194 -3.227 -1.625
297 HD13 LEU 49 3HD1 LEU 49 -5.400 -4.710 -2.156
298 HD21 LEU 49 3HD2 LEU 49 -3.208 -4.634 -3.242
299 HD22 LEU 49 1HD2 LEU 49 -2.343 -3.107 -3.423
300 HD23 LEU 49 2HD2 LEU 49 -3.734 -3.459 -4.449
301 H VAL 50 H VAL 50 -5.638 1.337 -0.602
302 HA VAL 50 HA VAL 50 -6.816 -0.472 1.404
303 HB VAL 50 HB VAL 50 -7.375 1.692 2.651
304 HG11 VAL 50 1HG1 VAL 50 -5.635 0.151 3.381
305 HG12 VAL 50 2HG1 VAL 50 -5.124 1.821 3.639
306 HG13 VAL 50 3HG1 VAL 50 -4.487 0.904 2.274
307 HG21 VAL 50 3HG2 VAL 50 -5.265 2.785 0.789
308 HG22 VAL 50 1HG2 VAL 50 -5.958 3.621 2.177
309 HG23 VAL 50 2HG2 VAL 50 -6.969 3.239 0.782
310 H THR 51 H THR 51 -8.717 -1.160 0.730
311 HA THR 51 HA THR 51 -10.404 0.616 -0.861
312 HB THR 51 HB THR 51 -10.854 -2.302 -0.214
313 HG1 THR 51 1HG THR 51 -8.928 -2.080 -1.384
314 HG21 THR 51 3HG2 THR 51 -12.306 -2.239 -2.203
315 HG22 THR 51 1HG2 THR 51 -12.006 -0.509 -2.362
316 HG23 THR 51 2HG2 THR 51 -12.868 -1.128 -0.953
317 H ARG 52 H ARG 52 -11.762 1.865 0.211
318 HA ARG 52 HA ARG 52 -12.692 1.301 2.860
319 HB2 ARG 52 2HB ARG 52 -13.478 3.352 0.792
320 HB3 ARG 52 1HB ARG 52 -14.361 3.185 2.297
321 HG2 ARG 52 2HG ARG 52 -12.839 4.973 2.552
322 HG3 ARG 52 1HG ARG 52 -12.227 3.629 3.510
323 HD2 ARG 52 2HD ARG 52 -10.489 3.204 2.013
324 HD3 ARG 52 1HD ARG 52 -11.273 4.095 0.708
325 HE ARG 52 HE ARG 52 -10.749 6.146 1.895
326 HH11 ARG 52 1HH1 ARG 52 -9.060 3.270 2.960
327 HH12 ARG 52 2HH1 ARG 52 -7.749 4.152 3.673
328 HH21 ARG 52 1HH2 ARG 52 -8.996 7.305 2.800
329 HH22 ARG 52 2HH2 ARG 52 -7.711 6.429 3.593
330 HA PRO 53 HA PRO 53 -16.110 -1.350 1.868
331 HB2 PRO 53 2HB PRO 53 -17.832 -0.680 3.886
332 HB3 PRO 53 1HB PRO 53 -16.425 -1.726 4.105
333 HG2 PRO 53 2HG PRO 53 -16.727 1.192 4.700
334 HG3 PRO 53 1HG PRO 53 -15.944 -0.073 5.666
335 HD2 PRO 53 2HD PRO 53 -14.523 1.648 4.162
336 HD3 PRO 53 1HD PRO 53 -14.020 -0.041 4.381
337 H ASP 54 H ASP 54 -16.193 1.974 1.651
338 HA ASP 54 HA ASP 54 -18.948 2.249 0.847
339 HB2 ASP 54 2HB ASP 54 -16.609 4.163 0.685
340 HB3 ASP 54 1HB ASP 54 -18.261 4.573 0.236
341 H GLY 55 H GLY 55 -16.366 0.822 -0.567
342 HA2 GLY 55 2HA GLY 55 -16.358 -0.099 -2.717
343 HA3 GLY 55 1HA GLY 55 -17.623 1.029 -3.181
344 H THR 56 H THR 56 -14.586 1.950 -1.658
345 HA THR 56 HA THR 56 -13.681 3.046 -4.214
346 HB THR 56 HB THR 56 -14.848 4.882 -3.123
347 HG1 THR 56 1HG THR 56 -13.302 5.992 -4.011
348 HG21 THR 56 3HG2 THR 56 -14.699 4.193 -0.803
349 HG22 THR 56 1HG2 THR 56 -14.049 5.823 -0.993
350 HG23 THR 56 2HG2 THR 56 -12.956 4.451 -0.814
351 H ARG 57 H ARG 57 -11.634 2.614 -4.599
352 HA ARG 57 HA ARG 57 -9.955 1.647 -2.384
353 HB2 ARG 57 2HB ARG 57 -10.176 -0.010 -4.086
354 HB3 ARG 57 1HB ARG 57 -9.865 1.159 -5.361
355 HG2 ARG 57 2HG ARG 57 -7.557 1.396 -4.562
356 HG3 ARG 57 1HG ARG 57 -7.881 0.193 -3.313
357 HD2 ARG 57 2HD ARG 57 -8.091 -1.538 -4.873
358 HD3 ARG 57 1HD ARG 57 -8.305 -0.419 -6.221
359 HE ARG 57 HE ARG 57 -5.807 0.139 -5.218
360 HH11 ARG 57 1HH1 ARG 57 -7.361 -2.772 -6.430
361 HH12 ARG 57 2HH1 ARG 57 -5.901 -3.395 -7.143
362 HH21 ARG 57 1HH2 ARG 57 -3.912 -0.661 -6.136
363 HH22 ARG 57 2HH2 ARG 57 -3.923 -2.203 -6.964
364 H VAL 58 H VAL 58 -8.285 2.818 -1.719
365 HA VAL 58 HA VAL 58 -7.366 5.035 -3.430
366 HB VAL 58 HB VAL 58 -7.207 4.832 -0.414
367 HG11 VAL 58 1HG1 VAL 58 -6.545 7.194 -0.505
368 HG12 VAL 58 2HG1 VAL 58 -6.549 7.121 -2.268
369 HG13 VAL 58 3HG1 VAL 58 -5.395 6.157 -1.348
370 HG21 VAL 58 3HG2 VAL 58 -8.920 6.573 -0.375
371 HG22 VAL 58 1HG2 VAL 58 -9.508 5.108 -1.160
372 HG23 VAL 58 2HG2 VAL 58 -9.038 6.502 -2.134
373 H GLU 59 H GLU 59 -5.267 5.095 -4.007
374 HA GLU 59 HA GLU 59 -3.540 2.913 -3.134
375 HB2 GLU 59 2HB GLU 59 -3.069 5.008 -5.263
376 HB3 GLU 59 1HB GLU 59 -2.101 3.570 -4.988
377 HG2 GLU 59 2HG GLU 59 -4.985 3.578 -5.850
378 HG3 GLU 59 1HG GLU 59 -3.600 3.368 -6.919
379 H VAL 60 H VAL 60 -2.492 3.333 -1.296
380 HA VAL 60 HA VAL 60 -1.461 6.008 -0.752
381 HB VAL 60 HB VAL 60 -1.055 3.517 0.906
382 HG11 VAL 60 1HG1 VAL 60 -0.871 6.448 1.580
383 HG12 VAL 60 2HG1 VAL 60 0.477 5.323 1.422
384 HG13 VAL 60 3HG1 VAL 60 -0.688 5.124 2.731
385 HG21 VAL 60 3HG2 VAL 60 -3.255 5.572 1.129
386 HG22 VAL 60 1HG2 VAL 60 -2.950 4.269 2.277
387 HG23 VAL 60 2HG2 VAL 60 -3.452 3.893 0.628
388 H HIS 61 H HIS 61 0.353 6.529 -1.790
389 HA HIS 61 HA HIS 61 2.220 4.425 -2.529
390 HB2 HIS 61 2HB HIS 61 1.990 7.322 -3.276
391 HB3 HIS 61 1HB HIS 61 3.376 6.343 -3.740
392 HD1 HIS 61 1HD HIS 61 -0.024 7.205 -4.775
393 HD2 HIS 61 2HD HIS 61 2.647 4.079 -5.420
394 HE1 HIS 61 1HE HIS 61 -0.899 5.964 -6.773
395 HE2 HIS 61 2HE HIS 61 0.598 3.946 -6.995
396 H LEU 62 H LEU 62 4.041 4.017 -1.539
397 HA LEU 62 HA LEU 62 4.935 5.884 0.554
398 HB2 LEU 62 2HB LEU 62 4.548 2.965 0.487
399 HB3 LEU 62 1HB LEU 62 6.021 3.504 1.267
400 HG LEU 62 HG LEU 62 4.903 4.455 3.041
401 HD11 LEU 62 1HD1 LEU 62 2.579 5.200 3.013
402 HD12 LEU 62 2HD1 LEU 62 2.425 4.673 1.336
403 HD13 LEU 62 3HD1 LEU 62 3.518 5.994 1.750
404 HD21 LEU 62 3HD2 LEU 62 4.469 2.069 3.028
405 HD22 LEU 62 1HD2 LEU 62 3.008 2.331 2.074
406 HD23 LEU 62 2HD2 LEU 62 3.107 2.950 3.724
407 H ASP 63 H ASP 63 7.189 5.864 1.040
408 HA ASP 63 HA ASP 63 8.810 5.787 -1.373
409 HB2 ASP 63 2HB ASP 63 8.942 7.818 -0.106
410 HB3 ASP 63 1HB ASP 63 9.193 6.945 1.397
411 H ARG 64 H ARG 64 11.189 5.132 -0.919
412 HA ARG 64 HA ARG 64 11.340 2.370 -0.540
413 HB2 ARG 64 2HB ARG 64 13.537 4.439 -0.344
414 HB3 ARG 64 1HB ARG 64 13.782 2.713 -0.577
415 HG2 ARG 64 2HG ARG 64 13.289 2.808 -2.767
416 HG3 ARG 64 1HG ARG 64 12.008 4.000 -2.536
417 HD2 ARG 64 2HD ARG 64 14.969 4.569 -2.481
418 HD3 ARG 64 1HD ARG 64 13.886 4.907 -3.831
419 HE ARG 64 HE ARG 64 12.706 6.226 -1.789
420 HH11 ARG 64 1HH1 ARG 64 15.969 6.261 -3.088
421 HH12 ARG 64 2HH1 ARG 64 16.294 7.871 -2.518
422 HH21 ARG 64 1HH2 ARG 64 13.127 8.313 -1.070
423 HH22 ARG 64 2HH2 ARG 64 14.676 9.044 -1.382
424 H ASP 65 H ASP 65 11.677 5.002 1.733
425 HA ASP 65 HA ASP 65 12.667 3.258 3.850
426 HB2 ASP 65 2HB ASP 65 13.479 5.607 3.584
427 HB3 ASP 65 1HB ASP 65 11.861 6.176 3.967
428 H PHE 66 H PHE 66 9.828 3.513 2.462
429 HA PHE 66 HA PHE 66 7.693 3.003 2.985
430 HB2 PHE 66 2HB PHE 66 9.144 1.899 5.182
431 HB3 PHE 66 1HB PHE 66 7.677 2.644 5.807
432 HD1 PHE 66 1HD PHE 66 9.022 0.064 3.573
433 HD2 PHE 66 2HD PHE 66 5.521 1.750 5.306
434 HE1 PHE 66 1HE PHE 66 7.725 -1.896 2.849
435 HE2 PHE 66 2HE PHE 66 4.216 -0.207 4.585
436 HZ PHE 66 HZ PHE 66 5.319 -2.033 3.356
437 H ARG 67 H ARG 67 9.004 5.683 3.370
438 HA ARG 67 HA ARG 67 7.341 7.026 5.290
439 HB2 ARG 67 2HB ARG 67 9.638 7.666 3.718
440 HB3 ARG 67 1HB ARG 67 8.392 8.858 3.375
441 HG2 ARG 67 2HG ARG 67 9.757 9.661 5.162
442 HG3 ARG 67 1HG ARG 67 8.165 9.256 5.808
443 HD2 ARG 67 2HD ARG 67 9.128 7.034 6.488
444 HD3 ARG 67 1HD ARG 67 10.713 7.668 6.048
445 HE ARG 67 HE ARG 67 9.405 9.440 7.824
446 HH11 ARG 67 1HH1 ARG 67 11.177 6.407 7.754
447 HH12 ARG 67 2HH1 ARG 67 11.576 6.477 9.443
448 HH21 ARG 67 1HH2 ARG 67 9.943 9.550 9.987
449 HH22 ARG 67 2HH2 ARG 67 10.876 8.284 10.729
450 H VAL 68 H VAL 68 5.400 7.985 4.942
451 HA VAL 68 HA VAL 68 3.899 7.245 2.671
452 HB VAL 68 HB VAL 68 2.815 7.590 4.817
453 HG11 VAL 68 1HG1 VAL 68 4.190 9.391 5.692
454 HG12 VAL 68 2HG1 VAL 68 2.483 9.824 5.756
455 HG13 VAL 68 3HG1 VAL 68 3.517 10.505 4.501
456 HG21 VAL 68 3HG2 VAL 68 0.914 8.977 4.095
457 HG22 VAL 68 1HG2 VAL 68 1.432 7.840 2.852
458 HG23 VAL 68 2HG2 VAL 68 1.869 9.545 2.725
459 H LEU 69 H LEU 69 3.560 8.226 0.774
460 HA LEU 69 HA LEU 69 4.822 10.838 0.359
461 HB2 LEU 69 2HB LEU 69 3.857 8.803 -1.652
462 HB3 LEU 69 1HB LEU 69 4.645 10.319 -2.045
463 HG LEU 69 HG LEU 69 5.909 8.036 -0.523
464 HD11 LEU 69 1HD1 LEU 69 7.255 7.730 -2.538
465 HD12 LEU 69 2HD1 LEU 69 6.331 8.992 -3.352
466 HD13 LEU 69 3HD1 LEU 69 5.540 7.492 -2.866
467 HD21 LEU 69 3HD2 LEU 69 7.976 9.295 -0.747
468 HD22 LEU 69 1HD2 LEU 69 6.773 10.233 0.137
469 HD23 LEU 69 2HD2 LEU 69 7.113 10.604 -1.553
470 H ASP 70 H ASP 70 1.897 9.137 -0.835
471 HA ASP 70 HA ASP 70 0.174 11.307 -0.161
472 HB2 ASP 70 2HB ASP 70 1.567 12.024 -2.286
473 HB3 ASP 70 1HB ASP 70 0.444 10.965 -3.130
474 H THR 71 H THR 71 -2.015 10.950 -1.497
475 HA THR 71 HA THR 71 -2.464 8.078 -1.859
476 HB THR 71 HB THR 71 -4.544 8.198 -0.489
477 HG1 THR 71 1HG THR 71 -3.630 10.818 -0.131
478 HG21 THR 71 3HG2 THR 71 -1.998 8.800 1.016
479 HG22 THR 71 1HG2 THR 71 -2.517 7.211 0.448
480 HG23 THR 71 2HG2 THR 71 -3.443 8.049 1.692
481 H GLU 72 H GLU 72 -3.281 7.944 -3.854
482 HA GLU 72 HA GLU 72 -5.553 9.705 -4.486
483 HB2 GLU 72 2HB GLU 72 -4.941 9.468 -6.902
484 HB3 GLU 72 1HB GLU 72 -3.792 10.396 -5.953
485 HG2 GLU 72 2HG GLU 72 -3.287 7.493 -6.328
486 HG3 GLU 72 1HG GLU 72 -3.018 8.576 -7.691
487 HA PRO 73 HA PRO 73 -7.811 5.919 -4.819
488 HB2 PRO 73 2HB PRO 73 -9.912 6.798 -6.311
489 HB3 PRO 73 1HB PRO 73 -9.729 7.144 -4.589
490 HG2 PRO 73 2HG PRO 73 -9.124 8.875 -6.945
491 HG3 PRO 73 1HG PRO 73 -9.860 9.310 -5.393
492 HD2 PRO 73 2HD PRO 73 -7.255 9.801 -5.992
493 HD3 PRO 73 1HD PRO 73 -7.827 9.496 -4.340
494 H ALA 74 H ALA 74 -8.305 4.269 -6.297
495 HA ALA 74 HA ALA 74 -6.855 4.552 -8.824
496 HB1 ALA 74 1HB ALA 74 -6.198 2.736 -7.298
497 HB2 ALA 74 2HB ALA 74 -6.736 2.142 -8.869
498 HB3 ALA 74 3HB ALA 74 -7.807 2.034 -7.471
499 H ASP 75 H ASP 75 -8.070 5.138 -10.498
500 HA ASP 75 HA ASP 75 -10.438 3.522 -11.091
501 HB2 ASP 75 2HB ASP 75 -11.244 5.669 -10.126
502 HB3 ASP 75 1HB ASP 75 -10.364 6.540 -11.378
503 H GLY 76 H GLY 76 -9.973 2.535 -12.948
504 HA2 GLY 76 2HA GLY 76 -8.052 3.868 -14.753
505 HA3 GLY 76 1HA GLY 76 -8.214 2.131 -14.569
506 H ASP 77 H ASP 77 -10.506 4.790 -15.283
507 HA ASP 77 HA ASP 77 -11.424 3.250 -17.607
508 HB2 ASP 77 2HB ASP 77 -13.218 4.154 -16.235
509 HB3 ASP 77 1HB ASP 77 -12.522 5.771 -16.336
510 H GLY 78 H GLY 78 -10.274 6.462 -16.711
511 HA2 GLY 78 2HA GLY 78 -9.026 6.684 -19.375
512 HA3 GLY 78 1HA GLY 78 -9.905 8.039 -18.672
513 H GLY 79 H GLY 79 -7.485 5.684 -17.550
514 HA2 GLY 79 2HA GLY 79 -6.293 7.677 -15.821
515 HA3 GLY 79 1HA GLY 79 -5.796 5.998 -15.990
516 H LEU 80 H LEU 80 -5.794 9.084 -17.706
517 HA LEU 80 HA LEU 80 -3.164 8.371 -18.830
518 HB2 LEU 80 2HB LEU 80 -5.288 10.180 -20.000
519 HB3 LEU 80 1HB LEU 80 -3.693 9.929 -20.682
520 HG LEU 80 HG LEU 80 -5.810 7.798 -20.382
521 HD11 LEU 80 1HD1 LEU 80 -4.843 9.289 -22.815
522 HD12 LEU 80 2HD1 LEU 80 -6.420 9.464 -22.044
523 HD13 LEU 80 3HD1 LEU 80 -5.980 7.940 -22.817
524 HD21 LEU 80 3HD2 LEU 80 -3.111 7.744 -21.727
525 HD22 LEU 80 1HD2 LEU 80 -4.314 6.457 -21.787
526 HD23 LEU 80 2HD2 LEU 80 -3.559 6.886 -20.252
527 H GLU 81 H GLU 81 -1.549 9.905 -18.695
528 HA GLU 81 HA GLU 81 -2.205 12.418 -17.324
529 HB2 GLU 81 2HB GLU 81 -1.159 10.402 -15.914
530 HB3 GLU 81 1HB GLU 81 0.333 11.006 -16.616
531 HG2 GLU 81 2HG GLU 81 -1.585 12.752 -15.101
532 HG3 GLU 81 1HG GLU 81 -0.275 11.868 -14.326
Start of MODEL 4
1 H1 GLY 1 1HT GLY 1 5.322 5.125 15.399
2 H2 GLY 1 2HT GLY 1 5.916 6.668 15.022
3 H3 GLY 1 3HT GLY 1 6.920 5.537 15.794
4 HA2 GLY 1 1HA GLY 1 5.842 5.332 13.039
5 HA3 GLY 1 2HA GLY 1 7.507 5.691 13.474
6 H ALA 2 H ALA 2 5.211 3.269 12.861
7 HA ALA 2 HA ALA 2 7.021 1.193 13.913
8 HB1 ALA 2 1HB ALA 2 4.079 0.982 13.269
9 HB2 ALA 2 2HB ALA 2 4.776 1.115 14.883
10 HB3 ALA 2 3HB ALA 2 5.094 -0.314 13.899
11 H MET 3 H MET 3 8.286 0.374 12.402
12 HA MET 3 HA MET 3 7.520 0.470 9.611
13 HB2 MET 3 2HB MET 3 10.027 -0.393 11.040
14 HB3 MET 3 1HB MET 3 9.801 -0.663 9.319
15 HG2 MET 3 2HG MET 3 11.062 1.311 9.537
16 HG3 MET 3 1HG MET 3 9.435 1.800 9.077
17 HE1 MET 3 3HE MET 3 12.120 1.679 11.928
18 HE2 MET 3 1HE MET 3 10.837 0.660 12.577
19 HE3 MET 3 2HE MET 3 11.190 2.216 13.328
20 H ALA 4 H ALA 4 6.169 -1.011 8.899
21 HA ALA 4 HA ALA 4 5.980 -3.594 10.165
22 HB1 ALA 4 1HB ALA 4 3.956 -2.371 9.486
23 HB2 ALA 4 2HB ALA 4 4.062 -3.954 8.715
24 HB3 ALA 4 3HB ALA 4 4.459 -2.500 7.800
25 H PHE 5 H PHE 5 7.948 -4.562 9.667
26 HA PHE 5 HA PHE 5 8.156 -5.443 6.862
27 HB2 PHE 5 2HB PHE 5 10.331 -5.000 8.911
28 HB3 PHE 5 1HB PHE 5 10.590 -5.924 7.434
29 HD1 PHE 5 2HD PHE 5 10.319 -4.792 5.225
30 HD2 PHE 5 1HD PHE 5 10.356 -2.648 8.902
31 HE1 PHE 5 2HE PHE 5 10.794 -2.712 4.002
32 HE2 PHE 5 1HE PHE 5 10.829 -0.563 7.685
33 HZ PHE 5 HZ PHE 5 11.050 -0.594 5.232
34 H ASP 6 H ASP 6 6.386 -6.811 8.056
35 HA ASP 6 HA ASP 6 7.620 -9.397 8.573
36 HB2 ASP 6 2HB ASP 6 7.288 -8.458 10.823
37 HB3 ASP 6 1HB ASP 6 5.598 -8.137 10.451
38 H GLY 7 H GLY 7 6.301 -11.120 7.938
39 HA2 GLY 7 2HA GLY 7 3.538 -10.877 7.403
40 HA3 GLY 7 1HA GLY 7 4.442 -10.646 5.912
41 H GLU 8 H GLU 8 2.685 -12.767 6.169
42 HA GLU 8 HA GLU 8 4.230 -15.106 6.891
43 HB2 GLU 8 2HB GLU 8 2.235 -16.378 6.187
44 HB3 GLU 8 1HB GLU 8 1.880 -15.158 7.397
45 HG2 GLU 8 2HG GLU 8 0.973 -13.700 5.675
46 HG3 GLU 8 1HG GLU 8 1.352 -14.909 4.446
47 H ASP 9 H ASP 9 4.368 -16.949 5.320
48 HA ASP 9 HA ASP 9 5.628 -15.821 2.931
49 HB2 ASP 9 2HB ASP 9 7.010 -17.212 4.391
50 HB3 ASP 9 1HB ASP 9 5.881 -18.551 4.221
51 H GLU 10 H GLU 10 2.746 -17.339 3.742
52 HA GLU 10 HA GLU 10 2.580 -18.963 1.351
53 HB2 GLU 10 2HB GLU 10 0.527 -18.438 3.498
54 HB3 GLU 10 1HB GLU 10 0.345 -19.588 2.179
55 HG2 GLU 10 2HG GLU 10 2.511 -20.635 3.060
56 HG3 GLU 10 1HG GLU 10 2.206 -19.694 4.519
57 H VAL 11 H VAL 11 2.313 -15.767 1.761
58 HA VAL 11 HA VAL 11 0.089 -15.405 -0.080
59 HB VAL 11 HB VAL 11 0.615 -12.994 0.059
60 HG11 VAL 11 1HG1 VAL 11 0.367 -14.350 2.741
61 HG12 VAL 11 2HG1 VAL 11 -0.956 -13.993 1.630
62 HG13 VAL 11 3HG1 VAL 11 -0.058 -12.676 2.384
63 HG21 VAL 11 3HG2 VAL 11 3.033 -13.169 0.408
64 HG22 VAL 11 1HG2 VAL 11 2.753 -13.831 2.019
65 HG23 VAL 11 2HG2 VAL 11 2.270 -12.176 1.650
66 H THR 12 H THR 12 0.451 -14.201 -2.125
67 HA THR 12 HA THR 12 2.805 -15.339 -3.425
68 HB THR 12 HB THR 12 0.418 -13.977 -4.699
69 HG1 THR 12 1HG THR 12 0.900 -16.637 -3.868
70 HG21 THR 12 3HG2 THR 12 2.425 -14.079 -6.126
71 HG22 THR 12 1HG2 THR 12 1.138 -15.121 -6.732
72 HG23 THR 12 2HG2 THR 12 2.508 -15.822 -5.871
73 H GLY 13 H GLY 13 1.268 -12.239 -2.768
74 HA2 GLY 13 2HA GLY 13 3.338 -10.753 -4.146
75 HA3 GLY 13 1HA GLY 13 2.037 -10.078 -3.170
76 HA PRO 14 HA PRO 14 6.012 -11.377 -0.584
77 HB2 PRO 14 2HB PRO 14 8.137 -9.957 -1.594
78 HB3 PRO 14 1HB PRO 14 7.803 -11.647 -1.980
79 HG2 PRO 14 2HG PRO 14 7.188 -9.184 -3.553
80 HG3 PRO 14 1HG PRO 14 7.758 -10.764 -4.120
81 HD2 PRO 14 2HD PRO 14 5.180 -9.996 -4.337
82 HD3 PRO 14 1HD PRO 14 5.645 -11.687 -4.065
83 H ASP 15 H ASP 15 6.547 -8.204 -2.105
84 HA ASP 15 HA ASP 15 6.730 -6.864 0.403
85 HB2 ASP 15 2HB ASP 15 6.737 -4.795 -1.028
86 HB3 ASP 15 1HB ASP 15 7.969 -5.981 -1.449
87 H ALA 16 H ALA 16 4.168 -7.751 -1.642
88 HA ALA 16 HA ALA 16 2.290 -5.752 -1.282
89 HB1 ALA 16 1HB ALA 16 0.621 -7.423 -1.859
90 HB2 ALA 16 2HB ALA 16 1.787 -8.712 -1.552
91 HB3 ALA 16 3HB ALA 16 2.048 -7.582 -2.882
92 H ASP 17 H ASP 17 2.910 -8.595 0.768
93 HA ASP 17 HA ASP 17 0.609 -8.265 2.356
94 HB2 ASP 17 2HB ASP 17 1.771 -10.399 2.244
95 HB3 ASP 17 1HB ASP 17 3.173 -9.695 3.050
96 H ARG 18 H ARG 18 4.005 -7.442 3.147
97 HA ARG 18 HA ARG 18 3.347 -6.336 5.656
98 HB2 ARG 18 2HB ARG 18 5.607 -5.172 5.483
99 HB3 ARG 18 1HB ARG 18 5.608 -6.922 5.448
100 HG2 ARG 18 2HG ARG 18 5.607 -5.418 2.879
101 HG3 ARG 18 1HG ARG 18 7.098 -5.546 3.814
102 HD2 ARG 18 2HD ARG 18 5.407 -7.886 2.931
103 HD3 ARG 18 1HD ARG 18 6.846 -7.314 2.087
104 HE ARG 18 HE ARG 18 7.843 -7.776 4.517
105 HH11 ARG 18 1HH1 ARG 18 5.735 -9.711 2.506
106 HH12 ARG 18 2HH1 ARG 18 6.283 -11.228 3.150
107 HH21 ARG 18 1HH2 ARG 18 8.625 -9.778 5.334
108 HH22 ARG 18 2HH2 ARG 18 7.936 -11.267 4.753
109 H ALA 19 H ALA 19 3.473 -4.931 2.439
110 HA ALA 19 HA ALA 19 3.151 -2.233 3.275
111 HB1 ALA 19 1HB ALA 19 2.357 -3.532 0.668
112 HB2 ALA 19 2HB ALA 19 3.931 -2.822 1.030
113 HB3 ALA 19 3HB ALA 19 2.496 -1.798 0.961
114 H ARG 20 H ARG 20 0.910 -4.761 2.271
115 HA ARG 20 HA ARG 20 -1.493 -3.354 2.502
116 HB2 ARG 20 2HB ARG 20 -1.357 -5.490 1.389
117 HB3 ARG 20 1HB ARG 20 -0.848 -6.284 2.872
118 HG2 ARG 20 2HG ARG 20 -3.047 -5.807 3.856
119 HG3 ARG 20 1HG ARG 20 -3.547 -5.067 2.332
120 HD2 ARG 20 2HD ARG 20 -4.354 -7.350 2.455
121 HD3 ARG 20 1HD ARG 20 -3.144 -7.198 1.182
122 HE ARG 20 HE ARG 20 -1.694 -8.024 3.324
123 HH11 ARG 20 1HH1 ARG 20 -4.529 -9.228 1.682
124 HH12 ARG 20 2HH1 ARG 20 -4.267 -10.886 2.148
125 HH21 ARG 20 1HH2 ARG 20 -1.292 -10.218 3.908
126 HH22 ARG 20 2HH2 ARG 20 -2.439 -11.443 3.425
127 H ALA 21 H ALA 21 0.274 -5.299 4.878
128 HA ALA 21 HA ALA 21 -1.632 -5.165 6.939
129 HB1 ALA 21 1HB ALA 21 0.236 -6.780 6.852
130 HB2 ALA 21 2HB ALA 21 0.110 -5.949 8.403
131 HB3 ALA 21 3HB ALA 21 1.349 -5.468 7.242
132 H ALA 22 H ALA 22 1.071 -3.039 6.119
133 HA ALA 22 HA ALA 22 1.011 -1.468 8.456
134 HB1 ALA 22 1HB ALA 22 2.289 0.169 7.186
135 HB2 ALA 22 2HB ALA 22 1.875 -0.655 5.684
136 HB3 ALA 22 3HB ALA 22 2.888 -1.461 6.881
137 H ALA 23 H ALA 23 -0.790 -1.272 5.444
138 HA ALA 23 HA ALA 23 -1.851 1.337 5.991
139 HB1 ALA 23 1HB ALA 23 -3.101 1.052 3.945
140 HB2 ALA 23 2HB ALA 23 -2.688 -0.661 3.903
141 HB3 ALA 23 3HB ALA 23 -1.426 0.555 3.708
142 H VAL 24 H VAL 24 -2.745 -1.836 6.906
143 HA VAL 24 HA VAL 24 -5.530 -1.678 6.994
144 HB VAL 24 HB VAL 24 -3.704 -3.129 8.920
145 HG11 VAL 24 1HG1 VAL 24 -5.640 -4.544 9.405
146 HG12 VAL 24 2HG1 VAL 24 -6.641 -3.541 8.355
147 HG13 VAL 24 3HG1 VAL 24 -5.957 -2.860 9.831
148 HG21 VAL 24 3HG2 VAL 24 -4.125 -5.084 7.520
149 HG22 VAL 24 1HG2 VAL 24 -3.370 -3.793 6.588
150 HG23 VAL 24 2HG2 VAL 24 -5.100 -4.103 6.425
151 H GLN 25 H GLN 25 -3.125 -0.520 9.297
152 HA GLN 25 HA GLN 25 -4.984 0.205 11.323
153 HB2 GLN 25 2HB GLN 25 -2.113 0.965 10.819
154 HB3 GLN 25 1HB GLN 25 -3.030 1.638 12.159
155 HG2 GLN 25 2HG GLN 25 -1.787 -0.171 13.023
156 HG3 GLN 25 1HG GLN 25 -3.460 -0.712 12.920
157 HE21 GLN 25 1HE2 GLN 25 -1.253 -0.444 10.204
158 HE22 GLN 25 2HE2 GLN 25 -1.161 -2.143 9.874
159 H ALA 26 H ALA 26 -4.301 1.564 8.328
160 HA ALA 26 HA ALA 26 -5.007 4.279 9.183
161 HB1 ALA 26 1HB ALA 26 -3.018 4.090 7.795
162 HB2 ALA 26 2HB ALA 26 -4.286 4.968 6.939
163 HB3 ALA 26 3HB ALA 26 -3.953 3.283 6.538
164 H VAL 27 H VAL 27 -6.732 1.702 8.589
165 HA VAL 27 HA VAL 27 -8.919 3.269 7.503
166 HB VAL 27 HB VAL 27 -8.027 2.292 5.474
167 HG11 VAL 27 1HG1 VAL 27 -8.333 -0.385 6.821
168 HG12 VAL 27 2HG1 VAL 27 -6.815 0.409 6.396
169 HG13 VAL 27 3HG1 VAL 27 -7.917 -0.129 5.127
170 HG21 VAL 27 3HG2 VAL 27 -10.002 1.063 4.694
171 HG22 VAL 27 1HG2 VAL 27 -10.436 2.497 5.626
172 HG23 VAL 27 2HG2 VAL 27 -10.547 0.898 6.363
173 HA PRO 28 HA PRO 28 -10.569 0.975 10.957
174 HB2 PRO 28 2HB PRO 28 -12.956 2.274 11.058
175 HB3 PRO 28 1HB PRO 28 -11.457 2.943 11.709
176 HG2 PRO 28 2HG PRO 28 -12.848 3.548 9.143
177 HG3 PRO 28 1HG PRO 28 -11.989 4.641 10.242
178 HD2 PRO 28 2HD PRO 28 -10.933 3.671 7.909
179 HD3 PRO 28 1HD PRO 28 -9.957 4.176 9.302
180 H GLY 29 H GLY 29 -10.763 -1.027 9.916
181 HA2 GLY 29 2HA GLY 29 -11.961 -2.873 9.269
182 HA3 GLY 29 1HA GLY 29 -13.418 -1.956 9.622
183 H GLY 30 H GLY 30 -10.857 -1.363 7.235
184 HA2 GLY 30 2HA GLY 30 -12.976 -1.325 5.187
185 HA3 GLY 30 1HA GLY 30 -11.514 -0.354 5.123
186 H THR 31 H THR 31 -11.643 -1.404 2.914
187 HA THR 31 HA THR 31 -10.704 -4.160 2.842
188 HB THR 31 HB THR 31 -11.332 -2.281 0.557
189 HG1 THR 31 1HG THR 31 -13.005 -4.422 1.269
190 HG21 THR 31 3HG2 THR 31 -10.951 -5.277 0.640
191 HG22 THR 31 1HG2 THR 31 -9.868 -4.107 -0.114
192 HG23 THR 31 2HG2 THR 31 -11.488 -4.358 -0.767
193 H ALA 32 H ALA 32 -8.606 -4.505 3.044
194 HA ALA 32 HA ALA 32 -6.715 -2.636 1.774
195 HB1 ALA 32 1HB ALA 32 -6.218 -4.575 4.034
196 HB2 ALA 32 2HB ALA 32 -6.416 -2.832 4.196
197 HB3 ALA 32 3HB ALA 32 -5.027 -3.484 3.326
198 H GLY 33 H GLY 33 -5.752 -3.353 -0.017
199 HA2 GLY 33 2HA GLY 33 -5.906 -6.249 -0.556
200 HA3 GLY 33 1HA GLY 33 -6.017 -5.007 -1.793
201 H GLU 34 H GLU 34 -4.255 -7.172 -1.917
202 HA GLU 34 HA GLU 34 -1.637 -6.495 -1.090
203 HB2 GLU 34 2HB GLU 34 -2.569 -8.315 -3.319
204 HB3 GLU 34 1HB GLU 34 -0.907 -8.194 -2.764
205 HG2 GLU 34 2HG GLU 34 -1.704 -10.090 -1.698
206 HG3 GLU 34 1HG GLU 34 -1.831 -8.839 -0.463
207 H VAL 35 H VAL 35 -0.013 -5.415 -2.124
208 HA VAL 35 HA VAL 35 -0.687 -4.065 -4.642
209 HB VAL 35 HB VAL 35 0.253 -1.952 -3.734
210 HG11 VAL 35 1HG1 VAL 35 -2.111 -3.027 -2.197
211 HG12 VAL 35 2HG1 VAL 35 -2.167 -2.324 -3.813
212 HG13 VAL 35 3HG1 VAL 35 -1.711 -1.327 -2.433
213 HG21 VAL 35 3HG2 VAL 35 0.453 -1.696 -1.292
214 HG22 VAL 35 1HG2 VAL 35 1.612 -2.860 -1.935
215 HG23 VAL 35 2HG2 VAL 35 0.167 -3.427 -1.099
216 H GLU 36 H GLU 36 1.130 -3.265 -5.816
217 HA GLU 36 HA GLU 36 3.622 -4.669 -5.162
218 HB2 GLU 36 2HB GLU 36 4.178 -4.574 -7.521
219 HB3 GLU 36 1HB GLU 36 2.604 -5.324 -7.303
220 HG2 GLU 36 2HG GLU 36 1.490 -3.325 -8.023
221 HG3 GLU 36 1HG GLU 36 3.019 -2.446 -8.081
222 H THR 37 H THR 37 5.632 -3.546 -5.805
223 HA THR 37 HA THR 37 5.677 -0.992 -4.561
224 HB THR 37 HB THR 37 8.129 -1.045 -5.289
225 HG1 THR 37 1HG THR 37 8.838 -2.742 -6.388
226 HG21 THR 37 3HG2 THR 37 7.027 -3.317 -3.644
227 HG22 THR 37 1HG2 THR 37 7.413 -1.698 -3.064
228 HG23 THR 37 2HG2 THR 37 8.701 -2.761 -3.631
229 H GLU 38 H GLU 38 6.280 0.997 -5.412
230 HA GLU 38 HA GLU 38 5.336 1.495 -8.088
231 HB2 GLU 38 2HB GLU 38 6.513 3.362 -6.017
232 HB3 GLU 38 1HB GLU 38 5.785 3.871 -7.534
233 HG2 GLU 38 2HG GLU 38 3.646 2.914 -6.814
234 HG3 GLU 38 1HG GLU 38 4.383 2.449 -5.282
235 H THR 39 H THR 39 6.748 0.675 -9.552
236 HA THR 39 HA THR 39 9.587 1.243 -9.329
237 HB THR 39 HB THR 39 8.108 -0.227 -11.518
238 HG1 THR 39 1HG THR 39 7.855 -1.671 -9.978
239 HG21 THR 39 3HG2 THR 39 11.020 -0.218 -10.720
240 HG22 THR 39 1HG2 THR 39 10.340 0.515 -12.172
241 HG23 THR 39 2HG2 THR 39 10.302 -1.237 -11.968
242 H GLY 40 H GLY 40 10.386 3.089 -10.098
243 HA2 GLY 40 2HA GLY 40 10.415 4.053 -12.592
244 HA3 GLY 40 1HA GLY 40 8.866 4.651 -12.016
245 H GLU 41 H GLU 41 9.234 6.787 -11.843
246 HA GLU 41 HA GLU 41 11.681 7.713 -10.535
247 HB2 GLU 41 2HB GLU 41 9.556 9.165 -12.117
248 HB3 GLU 41 1HB GLU 41 10.845 9.995 -11.260
249 HG2 GLU 41 2HG GLU 41 11.453 9.825 -13.554
250 HG3 GLU 41 1HG GLU 41 12.490 8.742 -12.630
251 H GLY 42 H GLY 42 11.231 9.856 -9.234
252 HA2 GLY 42 2HA GLY 42 9.794 11.001 -7.710
253 HA3 GLY 42 1HA GLY 42 8.833 9.534 -7.564
254 H ALA 43 H ALA 43 9.133 10.175 -5.231
255 HA ALA 43 HA ALA 43 11.630 8.982 -4.207
256 HB1 ALA 43 1HB ALA 43 9.843 10.979 -2.820
257 HB2 ALA 43 2HB ALA 43 11.358 11.364 -3.638
258 HB3 ALA 43 3HB ALA 43 11.365 10.330 -2.208
259 H ALA 44 H ALA 44 8.684 8.075 -4.895
260 HA ALA 44 HA ALA 44 7.925 6.884 -2.350
261 HB1 ALA 44 1HB ALA 44 6.197 7.887 -3.780
262 HB2 ALA 44 2HB ALA 44 5.910 6.170 -3.502
263 HB3 ALA 44 3HB ALA 44 6.575 6.714 -5.042
264 H ALA 45 H ALA 45 7.175 4.513 -2.510
265 HA ALA 45 HA ALA 45 8.815 2.904 -4.291
266 HB1 ALA 45 1HB ALA 45 10.307 3.346 -2.405
267 HB2 ALA 45 2HB ALA 45 9.862 1.641 -2.495
268 HB3 ALA 45 3HB ALA 45 9.100 2.689 -1.300
269 H TYR 46 H TYR 46 6.393 3.053 -1.720
270 HA TYR 46 HA TYR 46 5.245 0.562 -2.807
271 HB2 TYR 46 2HB TYR 46 5.281 1.469 0.087
272 HB3 TYR 46 1HB TYR 46 4.379 0.086 -0.511
273 HD1 TYR 46 2HD TYR 46 7.802 1.423 -0.009
274 HD2 TYR 46 1HD TYR 46 5.417 -2.018 -0.777
275 HE1 TYR 46 2HE TYR 46 9.760 -0.012 0.378
276 HE2 TYR 46 1HE TYR 46 7.370 -3.464 -0.390
277 HH TYR 46 HH TYR 46 9.769 -3.363 -0.409
278 H GLY 47 H GLY 47 3.156 0.740 -3.461
279 HA2 GLY 47 2HA GLY 47 1.644 3.077 -2.464
280 HA3 GLY 47 1HA GLY 47 1.506 2.484 -4.116
281 H VAL 48 H VAL 48 0.095 2.430 -1.115
282 HA VAL 48 HA VAL 48 -1.002 -0.278 -1.506
283 HB VAL 48 HB VAL 48 -1.098 1.295 1.068
284 HG11 VAL 48 1HG1 VAL 48 -1.448 -1.638 0.454
285 HG12 VAL 48 2HG1 VAL 48 -2.719 -0.498 0.899
286 HG13 VAL 48 3HG1 VAL 48 -1.467 -0.923 2.066
287 HG21 VAL 48 3HG2 VAL 48 1.242 0.983 0.460
288 HG22 VAL 48 1HG2 VAL 48 0.964 -0.743 0.225
289 HG23 VAL 48 2HG2 VAL 48 0.812 -0.037 1.835
290 H LEU 49 H LEU 49 -3.067 -0.476 -2.040
291 HA LEU 49 HA LEU 49 -4.769 1.872 -2.067
292 HB2 LEU 49 2HB LEU 49 -6.325 0.486 -3.335
293 HB3 LEU 49 1HB LEU 49 -4.722 0.433 -4.036
294 HG LEU 49 HG LEU 49 -4.629 -1.775 -2.465
295 HD11 LEU 49 1HD1 LEU 49 -7.486 -1.535 -3.393
296 HD12 LEU 49 2HD1 LEU 49 -6.926 -1.571 -1.721
297 HD13 LEU 49 3HD1 LEU 49 -6.739 -2.995 -2.746
298 HD21 LEU 49 3HD2 LEU 49 -4.017 -1.640 -4.824
299 HD22 LEU 49 1HD2 LEU 49 -5.723 -1.628 -5.271
300 HD23 LEU 49 2HD2 LEU 49 -5.021 -3.054 -4.505
301 H VAL 50 H VAL 50 -6.321 2.296 -0.639
302 HA VAL 50 HA VAL 50 -7.251 0.125 1.106
303 HB VAL 50 HB VAL 50 -7.461 1.936 2.936
304 HG11 VAL 50 1HG1 VAL 50 -4.743 0.890 2.148
305 HG12 VAL 50 2HG1 VAL 50 -5.965 0.007 3.063
306 HG13 VAL 50 3HG1 VAL 50 -5.213 1.445 3.755
307 HG21 VAL 50 3HG2 VAL 50 -5.727 3.672 2.864
308 HG22 VAL 50 1HG2 VAL 50 -6.898 3.869 1.558
309 HG23 VAL 50 2HG2 VAL 50 -5.309 3.180 1.223
310 H THR 51 H THR 51 -9.304 -0.158 0.807
311 HA THR 51 HA THR 51 -10.908 2.032 -0.300
312 HB THR 51 HB THR 51 -11.689 -0.875 -0.044
313 HG1 THR 51 1HG THR 51 -9.703 -0.102 -1.423
314 HG21 THR 51 3HG2 THR 51 -13.529 0.695 -0.456
315 HG22 THR 51 1HG2 THR 51 -13.239 -0.333 -1.859
316 HG23 THR 51 2HG2 THR 51 -12.669 1.335 -1.856
317 H ARG 52 H ARG 52 -12.194 3.146 1.024
318 HA ARG 52 HA ARG 52 -12.949 2.181 3.620
319 HB2 ARG 52 2HB ARG 52 -13.520 4.616 1.993
320 HB3 ARG 52 1HB ARG 52 -14.657 4.208 3.267
321 HG2 ARG 52 2HG ARG 52 -13.079 5.790 4.102
322 HG3 ARG 52 1HG ARG 52 -12.792 4.237 4.884
323 HD2 ARG 52 2HD ARG 52 -10.891 3.821 3.470
324 HD3 ARG 52 1HD ARG 52 -11.228 5.274 2.525
325 HE ARG 52 HE ARG 52 -10.904 6.421 4.833
326 HH11 ARG 52 1HH1 ARG 52 -9.057 3.712 3.583
327 HH12 ARG 52 2HH1 ARG 52 -7.656 4.074 4.537
328 HH21 ARG 52 1HH2 ARG 52 -9.071 6.885 6.073
329 HH22 ARG 52 2HH2 ARG 52 -7.668 5.869 5.974
330 HA PRO 53 HA PRO 53 -16.358 -0.285 2.309
331 HB2 PRO 53 2HB PRO 53 -17.601 0.225 4.921
332 HB3 PRO 53 1HB PRO 53 -16.984 -1.286 4.248
333 HG2 PRO 53 2HG PRO 53 -15.735 -0.015 6.259
334 HG3 PRO 53 1HG PRO 53 -14.840 -0.907 5.012
335 HD2 PRO 53 2HD PRO 53 -15.305 2.043 5.269
336 HD3 PRO 53 1HD PRO 53 -13.820 1.173 4.828
337 H ASP 54 H ASP 54 -16.517 2.858 2.262
338 HA ASP 54 HA ASP 54 -19.447 2.995 2.104
339 HB2 ASP 54 2HB ASP 54 -18.085 4.616 3.602
340 HB3 ASP 54 1HB ASP 54 -17.648 5.401 2.086
341 H GLY 55 H GLY 55 -16.592 2.883 0.286
342 HA2 GLY 55 2HA GLY 55 -17.016 2.474 -2.131
343 HA3 GLY 55 1HA GLY 55 -18.025 3.911 -2.087
344 H THR 56 H THR 56 -15.930 5.091 -0.194
345 HA THR 56 HA THR 56 -14.377 6.357 -2.241
346 HB THR 56 HB THR 56 -13.297 7.371 -0.019
347 HG1 THR 56 1HG THR 56 -15.302 7.464 1.447
348 HG21 THR 56 3HG2 THR 56 -14.512 8.656 -1.687
349 HG22 THR 56 1HG2 THR 56 -15.068 9.093 -0.072
350 HG23 THR 56 2HG2 THR 56 -16.045 8.029 -1.084
351 H ARG 57 H ARG 57 -12.597 5.570 -3.045
352 HA ARG 57 HA ARG 57 -10.946 3.770 -1.391
353 HB2 ARG 57 2HB ARG 57 -12.000 2.564 -3.198
354 HB3 ARG 57 1HB ARG 57 -11.484 3.770 -4.362
355 HG2 ARG 57 2HG ARG 57 -9.179 3.110 -4.083
356 HG3 ARG 57 1HG ARG 57 -9.638 1.961 -2.822
357 HD2 ARG 57 2HD ARG 57 -9.277 0.942 -5.083
358 HD3 ARG 57 1HD ARG 57 -10.861 0.625 -4.373
359 HE ARG 57 HE ARG 57 -10.506 2.806 -6.320
360 HH11 ARG 57 1HH1 ARG 57 -11.961 -0.251 -5.400
361 HH12 ARG 57 2HH1 ARG 57 -13.160 -0.195 -6.659
362 HH21 ARG 57 1HH2 ARG 57 -12.113 2.872 -7.976
363 HH22 ARG 57 2HH2 ARG 57 -13.246 1.561 -8.108
364 H VAL 58 H VAL 58 -9.015 4.557 -0.887
365 HA VAL 58 HA VAL 58 -7.769 6.492 -2.727
366 HB VAL 58 HB VAL 58 -6.713 7.569 -0.755
367 HG11 VAL 58 1HG1 VAL 58 -9.728 7.543 -0.722
368 HG12 VAL 58 2HG1 VAL 58 -8.704 8.554 -1.740
369 HG13 VAL 58 3HG1 VAL 58 -8.704 8.779 0.009
370 HG21 VAL 58 3HG2 VAL 58 -7.651 7.152 1.481
371 HG22 VAL 58 1HG2 VAL 58 -6.828 5.736 0.828
372 HG23 VAL 58 2HG2 VAL 58 -8.590 5.812 0.823
373 H GLU 59 H GLU 59 -5.381 6.586 -2.501
374 HA GLU 59 HA GLU 59 -4.286 3.994 -1.640
375 HB2 GLU 59 2HB GLU 59 -2.662 4.130 -3.482
376 HB3 GLU 59 1HB GLU 59 -4.316 4.070 -4.070
377 HG2 GLU 59 2HG GLU 59 -4.262 6.503 -4.407
378 HG3 GLU 59 1HG GLU 59 -2.578 6.517 -3.882
379 H VAL 60 H VAL 60 -2.554 4.049 -0.364
380 HA VAL 60 HA VAL 60 -1.533 6.702 0.374
381 HB VAL 60 HB VAL 60 -1.141 4.100 1.862
382 HG11 VAL 60 1HG1 VAL 60 -0.749 6.970 2.696
383 HG12 VAL 60 2HG1 VAL 60 0.519 5.783 2.386
384 HG13 VAL 60 3HG1 VAL 60 -0.579 5.567 3.750
385 HG21 VAL 60 3HG2 VAL 60 -3.511 4.586 1.778
386 HG22 VAL 60 1HG2 VAL 60 -3.215 6.241 2.314
387 HG23 VAL 60 2HG2 VAL 60 -2.889 4.891 3.401
388 H HIS 61 H HIS 61 0.386 7.276 -0.376
389 HA HIS 61 HA HIS 61 2.079 5.240 -1.603
390 HB2 HIS 61 2HB HIS 61 2.114 8.253 -1.750
391 HB3 HIS 61 1HB HIS 61 3.347 7.235 -2.488
392 HD1 HIS 61 1HD HIS 61 0.367 8.941 -3.384
393 HD2 HIS 61 2HD HIS 61 1.910 5.174 -4.240
394 HE1 HIS 61 1HE HIS 61 -0.802 8.182 -5.469
395 HE2 HIS 61 2HE HIS 61 -0.095 5.789 -5.756
396 H LEU 62 H LEU 62 3.785 4.481 -0.695
397 HA LEU 62 HA LEU 62 4.723 5.689 1.823
398 HB2 LEU 62 2HB LEU 62 4.018 2.949 0.992
399 HB3 LEU 62 1HB LEU 62 5.492 3.074 1.927
400 HG LEU 62 HG LEU 62 4.388 3.607 3.862
401 HD11 LEU 62 1HD1 LEU 62 2.124 4.727 2.211
402 HD12 LEU 62 2HD1 LEU 62 3.363 5.665 3.045
403 HD13 LEU 62 3HD1 LEU 62 2.203 4.714 3.972
404 HD21 LEU 62 3HD2 LEU 62 3.578 1.434 3.085
405 HD22 LEU 62 1HD2 LEU 62 2.222 2.232 2.289
406 HD23 LEU 62 2HD2 LEU 62 2.365 2.280 4.046
407 H ASP 63 H ASP 63 6.925 5.429 2.337
408 HA ASP 63 HA ASP 63 8.706 5.466 0.037
409 HB2 ASP 63 2HB ASP 63 9.004 7.260 1.606
410 HB3 ASP 63 1HB ASP 63 9.047 6.149 2.967
411 H ARG 64 H ARG 64 10.917 4.408 0.508
412 HA ARG 64 HA ARG 64 10.688 1.675 0.319
413 HB2 ARG 64 2HB ARG 64 13.021 3.385 1.173
414 HB3 ARG 64 1HB ARG 64 13.155 1.667 0.815
415 HG2 ARG 64 2HG ARG 64 12.794 1.961 -1.429
416 HG3 ARG 64 1HG ARG 64 11.926 3.481 -1.202
417 HD2 ARG 64 2HD ARG 64 14.855 3.182 -0.601
418 HD3 ARG 64 1HD ARG 64 14.260 3.620 -2.200
419 HE ARG 64 HE ARG 64 13.080 5.380 -0.413
420 HH11 ARG 64 1HH1 ARG 64 16.328 4.512 -1.359
421 HH12 ARG 64 2HH1 ARG 64 16.962 6.122 -1.187
422 HH21 ARG 64 1HH2 ARG 64 13.889 7.512 -0.176
423 HH22 ARG 64 2HH2 ARG 64 15.571 7.831 -0.490
424 H ASP 65 H ASP 65 11.481 3.545 3.254
425 HA ASP 65 HA ASP 65 11.368 1.059 4.800
426 HB2 ASP 65 2HB ASP 65 12.250 3.846 5.558
427 HB3 ASP 65 1HB ASP 65 12.135 2.521 6.709
428 H PHE 66 H PHE 66 9.047 2.431 3.580
429 HA PHE 66 HA PHE 66 6.854 2.574 4.035
430 HB2 PHE 66 2HB PHE 66 7.842 1.188 6.480
431 HB3 PHE 66 1HB PHE 66 6.175 1.762 6.440
432 HD1 PHE 66 2HD PHE 66 4.863 1.172 4.270
433 HD2 PHE 66 1HD PHE 66 8.292 -0.941 5.645
434 HE1 PHE 66 2HE PHE 66 4.189 -0.780 2.942
435 HE2 PHE 66 1HE PHE 66 7.624 -2.893 4.308
436 HZ PHE 66 HZ PHE 66 5.569 -2.810 2.960
437 H ARG 67 H ARG 67 8.599 4.870 4.590
438 HA ARG 67 HA ARG 67 7.173 6.331 6.621
439 HB2 ARG 67 2HB ARG 67 9.174 7.070 4.516
440 HB3 ARG 67 1HB ARG 67 8.210 8.336 5.258
441 HG2 ARG 67 2HG ARG 67 10.192 8.279 6.482
442 HG3 ARG 67 1HG ARG 67 9.015 7.437 7.488
443 HD2 ARG 67 2HD ARG 67 10.967 6.137 7.582
444 HD3 ARG 67 1HD ARG 67 9.895 5.292 6.465
445 HE ARG 67 HE ARG 67 11.236 6.339 4.637
446 HH11 ARG 67 1HH1 ARG 67 12.582 6.031 7.842
447 HH12 ARG 67 2HH1 ARG 67 14.225 5.923 7.300
448 HH21 ARG 67 1HH2 ARG 67 13.384 6.194 3.889
449 HH22 ARG 67 2HH2 ARG 67 14.685 6.015 5.027
450 H VAL 68 H VAL 68 5.222 7.263 6.392
451 HA VAL 68 HA VAL 68 3.783 6.989 3.959
452 HB VAL 68 HB VAL 68 2.553 6.914 6.028
453 HG11 VAL 68 1HG1 VAL 68 2.279 8.867 7.478
454 HG12 VAL 68 2HG1 VAL 68 3.426 9.763 6.481
455 HG13 VAL 68 3HG1 VAL 68 3.965 8.352 7.391
456 HG21 VAL 68 3HG2 VAL 68 1.342 7.744 4.099
457 HG22 VAL 68 1HG2 VAL 68 1.860 9.392 4.459
458 HG23 VAL 68 2HG2 VAL 68 0.777 8.548 5.564
459 H LEU 69 H LEU 69 3.853 8.238 2.220
460 HA LEU 69 HA LEU 69 5.146 10.851 2.445
461 HB2 LEU 69 2HB LEU 69 4.430 9.225 0.001
462 HB3 LEU 69 1HB LEU 69 5.287 10.754 -0.018
463 HG LEU 69 HG LEU 69 6.292 8.167 1.170
464 HD11 LEU 69 1HD1 LEU 69 6.324 8.197 -1.258
465 HD12 LEU 69 2HD1 LEU 69 7.962 8.301 -0.611
466 HD13 LEU 69 3HD1 LEU 69 7.167 9.745 -1.240
467 HD21 LEU 69 3HD2 LEU 69 7.049 10.078 2.482
468 HD22 LEU 69 1HD2 LEU 69 7.613 10.873 1.011
469 HD23 LEU 69 2HD2 LEU 69 8.380 9.381 1.556
470 H ASP 70 H ASP 70 2.343 9.484 0.693
471 HA ASP 70 HA ASP 70 0.815 11.887 1.271
472 HB2 ASP 70 2HB ASP 70 2.295 12.212 -0.852
473 HB3 ASP 70 1HB ASP 70 1.134 11.138 -1.622
474 H THR 71 H THR 71 -1.396 11.698 0.177
475 HA THR 71 HA THR 71 -2.251 8.954 -0.281
476 HB THR 71 HB THR 71 -3.508 10.627 1.909
477 HG1 THR 71 1HG THR 71 -1.380 8.906 1.913
478 HG21 THR 71 3HG2 THR 71 -4.000 7.772 1.034
479 HG22 THR 71 1HG2 THR 71 -5.095 9.134 0.798
480 HG23 THR 71 2HG2 THR 71 -4.743 8.557 2.428
481 H GLU 72 H GLU 72 -3.403 9.072 -2.072
482 HA GLU 72 HA GLU 72 -5.316 11.273 -2.394
483 HB2 GLU 72 2HB GLU 72 -4.739 11.203 -4.881
484 HB3 GLU 72 1HB GLU 72 -3.573 11.975 -3.818
485 HG2 GLU 72 2HG GLU 72 -3.144 9.106 -4.328
486 HG3 GLU 72 1HG GLU 72 -2.933 10.179 -5.711
487 HA PRO 73 HA PRO 73 -8.327 8.232 -3.478
488 HB2 PRO 73 2HB PRO 73 -9.449 9.296 -5.765
489 HB3 PRO 73 1HB PRO 73 -9.865 9.781 -4.119
490 HG2 PRO 73 2HG PRO 73 -8.015 11.088 -6.068
491 HG3 PRO 73 1HG PRO 73 -9.169 11.831 -4.944
492 HD2 PRO 73 2HD PRO 73 -6.536 11.770 -4.425
493 HD3 PRO 73 1HD PRO 73 -7.740 11.595 -3.131
494 H ALA 74 H ALA 74 -8.526 6.397 -4.654
495 HA ALA 74 HA ALA 74 -6.793 6.124 -7.022
496 HB1 ALA 74 1HB ALA 74 -5.769 5.029 -5.090
497 HB2 ALA 74 2HB ALA 74 -6.261 3.853 -6.309
498 HB3 ALA 74 3HB ALA 74 -7.233 4.074 -4.855
499 H ASP 75 H ASP 75 -7.889 5.543 -8.779
500 HA ASP 75 HA ASP 75 -10.130 3.696 -8.528
501 HB2 ASP 75 2HB ASP 75 -11.038 6.064 -8.450
502 HB3 ASP 75 1HB ASP 75 -10.441 6.260 -10.095
503 H GLY 76 H GLY 76 -9.494 2.098 -9.791
504 HA2 GLY 76 2HA GLY 76 -7.766 2.398 -12.021
505 HA3 GLY 76 1HA GLY 76 -8.679 0.952 -11.607
506 H ASP 77 H ASP 77 -8.680 3.943 -13.379
507 HA ASP 77 HA ASP 77 -11.329 3.904 -14.304
508 HB2 ASP 77 2HB ASP 77 -9.806 5.875 -14.407
509 HB3 ASP 77 1HB ASP 77 -8.928 5.084 -15.715
510 H GLY 78 H GLY 78 -8.387 2.432 -15.582
511 HA2 GLY 78 2HA GLY 78 -9.552 0.228 -16.659
512 HA3 GLY 78 1HA GLY 78 -9.722 1.431 -17.929
513 H GLY 79 H GLY 79 -7.263 2.793 -17.493
514 HA2 GLY 79 2HA GLY 79 -5.643 1.110 -19.136
515 HA3 GLY 79 1HA GLY 79 -5.219 2.707 -18.544
516 H LEU 80 H LEU 80 -4.285 -0.389 -18.542
517 HA LEU 80 HA LEU 80 -2.799 -0.057 -16.019
518 HB2 LEU 80 2HB LEU 80 -3.696 -2.628 -17.336
519 HB3 LEU 80 1HB LEU 80 -2.657 -2.535 -15.928
520 HG LEU 80 HG LEU 80 -5.518 -1.572 -16.035
521 HD11 LEU 80 1HD1 LEU 80 -5.994 -3.493 -14.605
522 HD12 LEU 80 2HD1 LEU 80 -4.318 -4.022 -14.753
523 HD13 LEU 80 3HD1 LEU 80 -5.365 -3.999 -16.172
524 HD21 LEU 80 3HD2 LEU 80 -3.620 -1.836 -13.707
525 HD22 LEU 80 1HD2 LEU 80 -5.303 -1.312 -13.631
526 HD23 LEU 80 2HD2 LEU 80 -4.105 -0.319 -14.464
527 H GLU 81 H GLU 81 -0.708 0.319 -16.397
528 HA GLU 81 HA GLU 81 0.447 -0.700 -18.904
529 HB2 GLU 81 2HB GLU 81 1.856 1.328 -18.952
530 HB3 GLU 81 1HB GLU 81 0.141 1.703 -19.047
531 HG2 GLU 81 2HG GLU 81 0.143 2.255 -16.654
532 HG3 GLU 81 1HG GLU 81 1.872 1.921 -16.592
Start of MODEL 5
1 H1 GLY 1 1HT GLY 1 7.818 6.733 16.519
2 H2 GLY 1 2HT GLY 1 9.341 6.395 15.858
3 H3 GLY 1 3HT GLY 1 8.629 5.306 16.945
4 HA2 GLY 1 1HA GLY 1 6.832 4.902 15.356
5 HA3 GLY 1 2HA GLY 1 7.657 5.963 14.222
6 H ALA 2 H ALA 2 7.017 3.219 13.784
7 HA ALA 2 HA ALA 2 9.703 2.000 13.790
8 HB1 ALA 2 1HB ALA 2 7.013 0.640 13.817
9 HB2 ALA 2 2HB ALA 2 8.150 0.743 15.163
10 HB3 ALA 2 3HB ALA 2 8.571 -0.179 13.720
11 H MET 3 H MET 3 10.559 1.346 11.901
12 HA MET 3 HA MET 3 9.075 1.892 9.451
13 HB2 MET 3 2HB MET 3 11.953 1.205 10.027
14 HB3 MET 3 1HB MET 3 11.313 1.205 8.392
15 HG2 MET 3 2HG MET 3 12.424 3.280 8.799
16 HG3 MET 3 1HG MET 3 10.692 3.573 8.670
17 HE1 MET 3 3HE MET 3 12.073 6.241 11.264
18 HE2 MET 3 1HE MET 3 11.234 6.029 9.726
19 HE3 MET 3 2HE MET 3 12.931 5.572 9.876
20 H ALA 4 H ALA 4 7.929 0.327 8.528
21 HA ALA 4 HA ALA 4 8.010 -2.310 9.642
22 HB1 ALA 4 1HB ALA 4 6.326 -1.214 7.397
23 HB2 ALA 4 2HB ALA 4 5.883 -1.255 9.103
24 HB3 ALA 4 3HB ALA 4 6.083 -2.760 8.208
25 H PHE 5 H PHE 5 10.167 -2.905 8.980
26 HA PHE 5 HA PHE 5 10.128 -4.014 6.249
27 HB2 PHE 5 2HB PHE 5 12.523 -3.113 7.861
28 HB3 PHE 5 1HB PHE 5 12.612 -3.947 6.314
29 HD1 PHE 5 2HD PHE 5 11.498 -2.833 4.312
30 HD2 PHE 5 1HD PHE 5 12.347 -0.809 7.953
31 HE1 PHE 5 2HE PHE 5 11.340 -0.674 3.143
32 HE2 PHE 5 1HE PHE 5 12.185 1.352 6.795
33 HZ PHE 5 HZ PHE 5 11.679 1.423 4.388
34 H ASP 6 H ASP 6 8.844 -5.448 7.818
35 HA ASP 6 HA ASP 6 10.494 -7.736 8.519
36 HB2 ASP 6 2HB ASP 6 10.133 -6.151 10.553
37 HB3 ASP 6 1HB ASP 6 8.462 -6.696 10.498
38 H GLY 7 H GLY 7 7.975 -8.789 9.945
39 HA2 GLY 7 2HA GLY 7 5.654 -8.490 8.542
40 HA3 GLY 7 1HA GLY 7 6.572 -9.626 7.565
41 H GLU 8 H GLU 8 4.286 -10.556 8.401
42 HA GLU 8 HA GLU 8 4.618 -11.973 10.915
43 HB2 GLU 8 2HB GLU 8 2.458 -12.056 8.803
44 HB3 GLU 8 1HB GLU 8 2.420 -13.007 10.282
45 HG2 GLU 8 2HG GLU 8 2.564 -10.006 10.206
46 HG3 GLU 8 1HG GLU 8 1.071 -10.927 10.367
47 H ASP 9 H ASP 9 3.856 -14.484 10.602
48 HA ASP 9 HA ASP 9 5.937 -15.562 8.860
49 HB2 ASP 9 2HB ASP 9 5.658 -16.291 11.295
50 HB3 ASP 9 1HB ASP 9 4.216 -17.154 10.761
51 H GLU 10 H GLU 10 2.670 -14.925 8.819
52 HA GLU 10 HA GLU 10 1.921 -17.038 6.989
53 HB2 GLU 10 2HB GLU 10 0.432 -14.501 7.707
54 HB3 GLU 10 1HB GLU 10 -0.225 -15.871 6.826
55 HG2 GLU 10 2HG GLU 10 -1.060 -16.125 8.972
56 HG3 GLU 10 1HG GLU 10 0.304 -17.238 8.917
57 H VAL 11 H VAL 11 4.044 -16.086 5.887
58 HA VAL 11 HA VAL 11 3.937 -13.672 4.496
59 HB VAL 11 HB VAL 11 5.774 -14.697 3.058
60 HG11 VAL 11 1HG1 VAL 11 6.227 -13.295 4.990
61 HG12 VAL 11 2HG1 VAL 11 7.401 -14.608 4.893
62 HG13 VAL 11 3HG1 VAL 11 6.080 -14.690 6.059
63 HG21 VAL 11 3HG2 VAL 11 6.783 -16.764 3.911
64 HG22 VAL 11 1HG2 VAL 11 5.150 -17.040 3.302
65 HG23 VAL 11 2HG2 VAL 11 5.440 -16.950 5.039
66 H THR 12 H THR 12 2.103 -13.375 3.375
67 HA THR 12 HA THR 12 1.474 -15.152 1.150
68 HB THR 12 HB THR 12 -0.439 -14.374 2.380
69 HG1 THR 12 1HG THR 12 -0.487 -12.677 0.101
70 HG21 THR 12 3HG2 THR 12 -0.977 -11.996 2.639
71 HG22 THR 12 1HG2 THR 12 0.556 -11.572 1.874
72 HG23 THR 12 2HG2 THR 12 0.546 -12.411 3.424
73 H GLY 13 H GLY 13 3.089 -12.235 1.897
74 HA2 GLY 13 2HA GLY 13 4.025 -12.026 -0.845
75 HA3 GLY 13 1HA GLY 13 3.188 -10.616 -0.203
76 HA PRO 14 HA PRO 14 7.805 -11.197 1.268
77 HB2 PRO 14 2HB PRO 14 8.538 -9.481 -1.022
78 HB3 PRO 14 1HB PRO 14 9.337 -10.929 -0.402
79 HG2 PRO 14 2HG PRO 14 7.952 -10.954 -2.693
80 HG3 PRO 14 1HG PRO 14 7.982 -12.354 -1.608
81 HD2 PRO 14 2HD PRO 14 5.842 -10.313 -2.026
82 HD3 PRO 14 1HD PRO 14 5.697 -12.058 -1.730
83 H ASP 15 H ASP 15 7.187 -8.254 -0.650
84 HA ASP 15 HA ASP 15 7.594 -6.638 1.747
85 HB2 ASP 15 2HB ASP 15 7.304 -5.957 -1.179
86 HB3 ASP 15 1HB ASP 15 7.301 -4.719 0.073
87 H ALA 16 H ALA 16 5.121 -7.876 -0.240
88 HA ALA 16 HA ALA 16 3.051 -6.052 0.148
89 HB1 ALA 16 1HB ALA 16 2.919 -7.862 -1.468
90 HB2 ALA 16 2HB ALA 16 1.544 -7.917 -0.365
91 HB3 ALA 16 3HB ALA 16 2.882 -9.048 -0.163
92 H ASP 17 H ASP 17 4.240 -8.636 2.214
93 HA ASP 17 HA ASP 17 2.068 -8.944 3.926
94 HB2 ASP 17 2HB ASP 17 4.165 -10.366 3.833
95 HB3 ASP 17 1HB ASP 17 4.961 -9.117 4.783
96 H ARG 18 H ARG 18 4.955 -6.889 4.504
97 HA ARG 18 HA ARG 18 3.852 -5.776 6.869
98 HB2 ARG 18 2HB ARG 18 5.714 -4.078 6.675
99 HB3 ARG 18 1HB ARG 18 6.207 -5.753 6.793
100 HG2 ARG 18 2HG ARG 18 5.934 -4.560 4.088
101 HG3 ARG 18 1HG ARG 18 7.318 -4.100 5.083
102 HD2 ARG 18 2HD ARG 18 7.638 -6.624 5.439
103 HD3 ARG 18 1HD ARG 18 6.548 -6.816 4.068
104 HE ARG 18 HE ARG 18 8.266 -5.279 2.912
105 HH11 ARG 18 1HH1 ARG 18 8.994 -7.736 5.298
106 HH12 ARG 18 2HH1 ARG 18 10.597 -8.026 4.690
107 HH21 ARG 18 1HH2 ARG 18 10.354 -5.666 2.096
108 HH22 ARG 18 2HH2 ARG 18 11.371 -6.853 2.869
109 H ALA 19 H ALA 19 3.843 -4.726 3.519
110 HA ALA 19 HA ALA 19 2.979 -2.068 4.039
111 HB1 ALA 19 1HB ALA 19 2.688 -3.718 1.527
112 HB2 ALA 19 2HB ALA 19 4.058 -2.686 1.939
113 HB3 ALA 19 3HB ALA 19 2.472 -1.973 1.649
114 H ARG 20 H ARG 20 1.295 -5.074 3.260
115 HA ARG 20 HA ARG 20 -1.300 -3.907 3.180
116 HB2 ARG 20 2HB ARG 20 -0.790 -6.009 2.037
117 HB3 ARG 20 1HB ARG 20 -0.440 -6.776 3.578
118 HG2 ARG 20 2HG ARG 20 -2.785 -6.412 4.254
119 HG3 ARG 20 1HG ARG 20 -3.109 -5.750 2.649
120 HD2 ARG 20 2HD ARG 20 -2.588 -7.842 1.608
121 HD3 ARG 20 1HD ARG 20 -2.001 -8.510 3.131
122 HE ARG 20 HE ARG 20 -4.801 -7.675 2.995
123 HH11 ARG 20 1HH1 ARG 20 -2.485 -10.287 2.857
124 HH12 ARG 20 2HH1 ARG 20 -3.621 -11.491 3.384
125 HH21 ARG 20 1HH2 ARG 20 -6.310 -9.264 3.673
126 HH22 ARG 20 2HH2 ARG 20 -5.787 -10.918 3.853
127 H ALA 21 H ALA 21 0.649 -5.451 5.686
128 HA ALA 21 HA ALA 21 -1.380 -5.668 7.638
129 HB1 ALA 21 1HB ALA 21 1.598 -5.427 8.033
130 HB2 ALA 21 2HB ALA 21 0.714 -6.926 7.747
131 HB3 ALA 21 3HB ALA 21 0.435 -6.005 9.226
132 H ALA 22 H ALA 22 0.532 -2.995 6.562
133 HA ALA 22 HA ALA 22 0.091 -1.396 8.920
134 HB1 ALA 22 1HB ALA 22 2.114 -1.112 7.575
135 HB2 ALA 22 2HB ALA 22 1.188 0.386 7.673
136 HB3 ALA 22 3HB ALA 22 1.134 -0.591 6.206
137 H ALA 23 H ALA 23 -1.470 -1.918 5.866
138 HA ALA 23 HA ALA 23 -2.850 0.510 5.601
139 HB1 ALA 23 1HB ALA 23 -3.649 -2.213 4.594
140 HB2 ALA 23 2HB ALA 23 -2.568 -1.088 3.774
141 HB3 ALA 23 3HB ALA 23 -4.264 -0.667 4.010
142 H VAL 24 H VAL 24 -3.556 -2.342 7.498
143 HA VAL 24 HA VAL 24 -6.342 -1.867 7.770
144 HB VAL 24 HB VAL 24 -5.206 -4.078 8.098
145 HG11 VAL 24 1HG1 VAL 24 -4.305 -4.625 10.299
146 HG12 VAL 24 2HG1 VAL 24 -4.494 -2.944 10.798
147 HG13 VAL 24 3HG1 VAL 24 -3.362 -3.360 9.511
148 HG21 VAL 24 3HG2 VAL 24 -7.523 -3.771 8.720
149 HG22 VAL 24 1HG2 VAL 24 -7.043 -3.143 10.298
150 HG23 VAL 24 2HG2 VAL 24 -6.718 -4.826 9.881
151 H GLN 25 H GLN 25 -3.647 -0.371 9.233
152 HA GLN 25 HA GLN 25 -5.130 0.555 11.550
153 HB2 GLN 25 2HB GLN 25 -2.355 1.057 10.516
154 HB3 GLN 25 1HB GLN 25 -3.051 2.130 11.719
155 HG2 GLN 25 2HG GLN 25 -1.802 0.585 12.938
156 HG3 GLN 25 1HG GLN 25 -3.472 0.058 13.118
157 HE21 GLN 25 1HE2 GLN 25 -1.547 -0.433 10.239
158 HE22 GLN 25 2HE2 GLN 25 -1.440 -2.157 10.377
159 H ALA 26 H ALA 26 -4.326 1.627 8.342
160 HA ALA 26 HA ALA 26 -5.002 4.383 8.831
161 HB1 ALA 26 1HB ALA 26 -3.283 3.737 7.189
162 HB2 ALA 26 2HB ALA 26 -4.560 4.724 6.479
163 HB3 ALA 26 3HB ALA 26 -4.534 2.981 6.203
164 H VAL 27 H VAL 27 -6.606 1.541 7.563
165 HA VAL 27 HA VAL 27 -8.973 3.195 6.987
166 HB VAL 27 HB VAL 27 -8.078 1.973 5.030
167 HG11 VAL 27 1HG1 VAL 27 -8.766 -0.511 6.588
168 HG12 VAL 27 2HG1 VAL 27 -7.150 0.027 6.128
169 HG13 VAL 27 3HG1 VAL 27 -8.306 -0.461 4.887
170 HG21 VAL 27 3HG2 VAL 27 -10.204 0.955 4.313
171 HG22 VAL 27 1HG2 VAL 27 -10.427 2.525 5.084
172 HG23 VAL 27 2HG2 VAL 27 -10.785 1.048 5.976
173 HA PRO 28 HA PRO 28 -10.835 1.019 10.388
174 HB2 PRO 28 2HB PRO 28 -13.336 2.227 10.003
175 HB3 PRO 28 1HB PRO 28 -12.033 2.824 11.028
176 HG2 PRO 28 2HG PRO 28 -13.022 3.980 8.627
177 HG3 PRO 28 1HG PRO 28 -11.648 4.522 9.601
178 HD2 PRO 28 2HD PRO 28 -11.682 2.998 7.083
179 HD3 PRO 28 1HD PRO 28 -10.380 3.963 7.805
180 H GLY 29 H GLY 29 -10.995 -1.096 9.727
181 HA2 GLY 29 2HA GLY 29 -12.028 -3.023 9.018
182 HA3 GLY 29 1HA GLY 29 -13.532 -2.112 9.051
183 H GLY 30 H GLY 30 -10.668 -1.514 7.084
184 HA2 GLY 30 2HA GLY 30 -12.406 -1.698 4.720
185 HA3 GLY 30 1HA GLY 30 -10.931 -0.744 4.825
186 H THR 31 H THR 31 -11.241 -2.319 2.687
187 HA THR 31 HA THR 31 -10.124 -4.938 3.138
188 HB THR 31 HB THR 31 -10.672 -3.509 0.531
189 HG1 THR 31 1HG THR 31 -12.271 -5.056 2.285
190 HG21 THR 31 3HG2 THR 31 -10.664 -5.757 -0.438
191 HG22 THR 31 1HG2 THR 31 -10.279 -6.444 1.140
192 HG23 THR 31 2HG2 THR 31 -9.114 -5.402 0.325
193 H ALA 32 H ALA 32 -8.059 -4.892 3.770
194 HA ALA 32 HA ALA 32 -6.079 -3.392 2.266
195 HB1 ALA 32 1HB ALA 32 -5.752 -3.616 4.665
196 HB2 ALA 32 2HB ALA 32 -4.460 -4.452 3.803
197 HB3 ALA 32 3HB ALA 32 -5.778 -5.374 4.527
198 H GLY 33 H GLY 33 -5.449 -4.159 0.355
199 HA2 GLY 33 2HA GLY 33 -5.774 -7.030 -0.192
200 HA3 GLY 33 1HA GLY 33 -5.713 -5.757 -1.402
201 H GLU 34 H GLU 34 -4.208 -8.087 -1.598
202 HA GLU 34 HA GLU 34 -1.547 -7.845 -0.711
203 HB2 GLU 34 2HB GLU 34 -2.669 -9.167 -3.187
204 HB3 GLU 34 1HB GLU 34 -1.018 -9.364 -2.619
205 HG2 GLU 34 2HG GLU 34 -3.465 -10.118 -1.044
206 HG3 GLU 34 1HG GLU 34 -2.515 -11.234 -2.027
207 H VAL 35 H VAL 35 -0.370 -6.093 -1.066
208 HA VAL 35 HA VAL 35 -0.730 -4.544 -3.497
209 HB VAL 35 HB VAL 35 0.680 -2.852 -2.418
210 HG11 VAL 35 1HG1 VAL 35 -1.693 -2.774 -1.996
211 HG12 VAL 35 2HG1 VAL 35 -0.821 -2.315 -0.532
212 HG13 VAL 35 3HG1 VAL 35 -1.527 -3.925 -0.671
213 HG21 VAL 35 3HG2 VAL 35 1.438 -3.138 -0.107
214 HG22 VAL 35 1HG2 VAL 35 2.171 -4.335 -1.174
215 HG23 VAL 35 2HG2 VAL 35 0.839 -4.798 -0.115
216 H GLU 36 H GLU 36 0.985 -3.988 -4.881
217 HA GLU 36 HA GLU 36 3.244 -5.857 -4.769
218 HB2 GLU 36 2HB GLU 36 3.463 -5.451 -7.214
219 HB3 GLU 36 1HB GLU 36 1.933 -6.190 -6.765
220 HG2 GLU 36 2HG GLU 36 0.839 -4.006 -6.933
221 HG3 GLU 36 1HG GLU 36 2.373 -3.282 -7.415
222 H THR 37 H THR 37 5.333 -5.082 -5.193
223 HA THR 37 HA THR 37 5.801 -2.422 -4.272
224 HB THR 37 HB THR 37 8.243 -3.131 -5.025
225 HG1 THR 37 1HG THR 37 8.495 -5.310 -5.202
226 HG21 THR 37 3HG2 THR 37 6.788 -4.379 -2.694
227 HG22 THR 37 1HG2 THR 37 7.504 -2.767 -2.719
228 HG23 THR 37 2HG2 THR 37 8.535 -4.192 -2.842
229 H GLU 38 H GLU 38 6.175 -0.638 -5.396
230 HA GLU 38 HA GLU 38 6.018 -0.787 -8.305
231 HB2 GLU 38 2HB GLU 38 5.937 1.613 -6.469
232 HB3 GLU 38 1HB GLU 38 5.649 1.632 -8.201
233 HG2 GLU 38 2HG GLU 38 3.633 0.369 -7.944
234 HG3 GLU 38 1HG GLU 38 3.954 0.127 -6.225
235 H THR 39 H THR 39 7.744 -0.444 -9.571
236 HA THR 39 HA THR 39 10.181 0.642 -8.412
237 HB THR 39 HB THR 39 10.916 0.342 -10.932
238 HG1 THR 39 1HG THR 39 8.786 -0.171 -11.681
239 HG21 THR 39 3HG2 THR 39 11.564 -1.976 -10.444
240 HG22 THR 39 1HG2 THR 39 10.427 -2.009 -9.096
241 HG23 THR 39 2HG2 THR 39 11.823 -0.932 -9.046
242 H GLY 40 H GLY 40 10.517 2.768 -8.399
243 HA2 GLY 40 2HA GLY 40 9.451 4.402 -10.573
244 HA3 GLY 40 1HA GLY 40 8.811 4.714 -8.967
245 H GLU 41 H GLU 41 11.556 4.938 -11.061
246 HA GLU 41 HA GLU 41 13.515 5.948 -9.411
247 HB2 GLU 41 2HB GLU 41 13.751 5.472 -11.845
248 HB3 GLU 41 1HB GLU 41 12.813 6.914 -12.194
249 HG2 GLU 41 2HG GLU 41 15.333 7.101 -10.597
250 HG3 GLU 41 1HG GLU 41 15.388 6.986 -12.354
251 H GLY 42 H GLY 42 13.383 7.500 -7.963
252 HA2 GLY 42 2HA GLY 42 13.102 10.080 -8.063
253 HA3 GLY 42 1HA GLY 42 11.422 9.640 -8.337
254 H ALA 43 H ALA 43 10.913 7.646 -6.623
255 HA ALA 43 HA ALA 43 11.877 7.986 -3.998
256 HB1 ALA 43 1HB ALA 43 9.325 9.491 -4.566
257 HB2 ALA 43 2HB ALA 43 10.883 10.208 -4.157
258 HB3 ALA 43 3HB ALA 43 10.028 9.219 -2.973
259 H ALA 44 H ALA 44 9.124 7.177 -6.039
260 HA ALA 44 HA ALA 44 7.609 5.755 -4.166
261 HB1 ALA 44 1HB ALA 44 6.742 6.541 -6.328
262 HB2 ALA 44 2HB ALA 44 6.415 4.829 -6.058
263 HB3 ALA 44 3HB ALA 44 7.713 5.319 -7.148
264 H ALA 45 H ALA 45 7.766 3.809 -3.304
265 HA ALA 45 HA ALA 45 9.363 1.747 -4.642
266 HB1 ALA 45 1HB ALA 45 10.845 2.805 -3.003
267 HB2 ALA 45 2HB ALA 45 10.478 1.137 -2.561
268 HB3 ALA 45 3HB ALA 45 9.676 2.467 -1.727
269 H TYR 46 H TYR 46 6.975 2.616 -2.206
270 HA TYR 46 HA TYR 46 5.825 -0.084 -2.473
271 HB2 TYR 46 2HB TYR 46 5.962 1.658 -0.003
272 HB3 TYR 46 1HB TYR 46 4.957 0.219 -0.131
273 HD1 TYR 46 2HD TYR 46 8.425 1.452 0.038
274 HD2 TYR 46 1HD TYR 46 5.898 -1.967 0.050
275 HE1 TYR 46 2HE TYR 46 10.312 0.069 0.805
276 HE2 TYR 46 1HE TYR 46 7.771 -3.358 0.816
277 HH TYR 46 HH TYR 46 10.094 -3.419 0.938
278 H GLY 47 H GLY 47 3.736 -0.155 -3.069
279 HA2 GLY 47 2HA GLY 47 2.149 2.318 -2.802
280 HA3 GLY 47 1HA GLY 47 2.037 1.271 -4.213
281 H VAL 48 H VAL 48 0.644 2.040 -1.320
282 HA VAL 48 HA VAL 48 -0.370 -0.671 -0.839
283 HB VAL 48 HB VAL 48 -0.654 1.781 0.910
284 HG11 VAL 48 1HG1 VAL 48 -1.253 -1.134 1.439
285 HG12 VAL 48 2HG1 VAL 48 -2.436 0.164 1.283
286 HG13 VAL 48 3HG1 VAL 48 -1.316 0.150 2.646
287 HG21 VAL 48 3HG2 VAL 48 1.048 0.747 2.330
288 HG22 VAL 48 1HG2 VAL 48 1.686 1.087 0.721
289 HG23 VAL 48 2HG2 VAL 48 1.235 -0.560 1.163
290 H LEU 49 H LEU 49 -2.201 -1.143 -1.882
291 HA LEU 49 HA LEU 49 -4.067 0.961 -2.567
292 HB2 LEU 49 2HB LEU 49 -5.319 -0.844 -3.730
293 HB3 LEU 49 1HB LEU 49 -3.673 -0.641 -4.290
294 HG LEU 49 HG LEU 49 -3.356 -2.618 -2.437
295 HD11 LEU 49 1HD1 LEU 49 -5.120 -4.251 -2.770
296 HD12 LEU 49 2HD1 LEU 49 -6.010 -3.112 -3.780
297 HD13 LEU 49 3HD1 LEU 49 -5.776 -2.774 -2.064
298 HD21 LEU 49 3HD2 LEU 49 -2.431 -2.579 -4.686
299 HD22 LEU 49 1HD2 LEU 49 -4.024 -2.923 -5.362
300 HD23 LEU 49 2HD2 LEU 49 -3.212 -4.126 -4.360
301 H VAL 50 H VAL 50 -5.594 1.588 -1.261
302 HA VAL 50 HA VAL 50 -6.498 -0.248 0.859
303 HB VAL 50 HB VAL 50 -6.538 2.775 0.824
304 HG11 VAL 50 1HG1 VAL 50 -8.383 1.863 2.116
305 HG12 VAL 50 2HG1 VAL 50 -7.179 2.580 3.186
306 HG13 VAL 50 3HG1 VAL 50 -7.268 0.828 3.007
307 HG21 VAL 50 3HG2 VAL 50 -4.270 1.894 1.033
308 HG22 VAL 50 1HG2 VAL 50 -4.784 0.868 2.372
309 HG23 VAL 50 2HG2 VAL 50 -4.802 2.622 2.549
310 H THR 51 H THR 51 -8.424 -1.093 0.439
311 HA THR 51 HA THR 51 -10.316 0.393 -1.220
312 HB THR 51 HB THR 51 -10.567 -2.436 -0.191
313 HG1 THR 51 1HG THR 51 -8.720 -1.720 -1.739
314 HG21 THR 51 3HG2 THR 51 -11.911 -1.001 -2.487
315 HG22 THR 51 1HG2 THR 51 -12.665 -1.403 -0.943
316 HG23 THR 51 2HG2 THR 51 -12.156 -2.689 -2.038
317 H ARG 52 H ARG 52 -11.413 1.831 -0.017
318 HA ARG 52 HA ARG 52 -12.231 1.425 2.678
319 HB2 ARG 52 2HB ARG 52 -12.535 3.467 0.629
320 HB3 ARG 52 1HB ARG 52 -14.019 3.244 1.538
321 HG2 ARG 52 2HG ARG 52 -12.780 4.982 2.564
322 HG3 ARG 52 1HG ARG 52 -12.713 3.579 3.627
323 HD2 ARG 52 2HD ARG 52 -10.476 3.057 2.793
324 HD3 ARG 52 1HD ARG 52 -10.550 4.454 1.715
325 HE ARG 52 HE ARG 52 -10.963 5.056 4.517
326 HH11 ARG 52 1HH1 ARG 52 -8.597 4.769 1.944
327 HH12 ARG 52 2HH1 ARG 52 -7.448 5.805 2.722
328 HH21 ARG 52 1HH2 ARG 52 -9.463 6.393 5.538
329 HH22 ARG 52 2HH2 ARG 52 -7.938 6.741 4.770
330 HA PRO 53 HA PRO 53 -15.577 -1.408 2.070
331 HB2 PRO 53 2HB PRO 53 -17.170 -0.623 4.183
332 HB3 PRO 53 1HB PRO 53 -15.786 -1.710 4.314
333 HG2 PRO 53 2HG PRO 53 -15.956 1.218 4.881
334 HG3 PRO 53 1HG PRO 53 -15.097 -0.053 5.773
335 HD2 PRO 53 2HD PRO 53 -13.803 1.627 4.132
336 HD3 PRO 53 1HD PRO 53 -13.325 -0.077 4.279
337 H ASP 54 H ASP 54 -15.920 1.953 1.840
338 HA ASP 54 HA ASP 54 -18.705 2.068 1.205
339 HB2 ASP 54 2HB ASP 54 -16.448 3.981 0.557
340 HB3 ASP 54 1HB ASP 54 -18.152 4.315 0.277
341 H GLY 55 H GLY 55 -15.958 0.927 -0.444
342 HA2 GLY 55 2HA GLY 55 -16.201 -0.289 -2.483
343 HA3 GLY 55 1HA GLY 55 -17.556 0.747 -2.904
344 H THR 56 H THR 56 -14.446 1.908 -1.723
345 HA THR 56 HA THR 56 -13.867 2.908 -4.420
346 HB THR 56 HB THR 56 -14.873 4.779 -3.270
347 HG1 THR 56 1HG THR 56 -13.386 6.020 -4.090
348 HG21 THR 56 3HG2 THR 56 -13.920 5.707 -1.207
349 HG22 THR 56 1HG2 THR 56 -12.800 4.349 -1.117
350 HG23 THR 56 2HG2 THR 56 -14.535 4.071 -0.962
351 H ARG 57 H ARG 57 -11.728 3.039 -4.976
352 HA ARG 57 HA ARG 57 -9.844 1.792 -3.091
353 HB2 ARG 57 2HB ARG 57 -10.130 0.396 -5.004
354 HB3 ARG 57 1HB ARG 57 -9.975 1.758 -6.102
355 HG2 ARG 57 2HG ARG 57 -7.617 2.003 -5.424
356 HG3 ARG 57 1HG ARG 57 -7.788 0.572 -4.407
357 HD2 ARG 57 2HD ARG 57 -8.118 -0.837 -6.261
358 HD3 ARG 57 1HD ARG 57 -8.417 0.523 -7.343
359 HE ARG 57 HE ARG 57 -5.843 0.867 -6.434
360 HH11 ARG 57 1HH1 ARG 57 -7.578 -1.669 -8.113
361 HH12 ARG 57 2HH1 ARG 57 -6.196 -2.166 -9.056
362 HH21 ARG 57 1HH2 ARG 57 -4.015 0.230 -7.688
363 HH22 ARG 57 2HH2 ARG 57 -4.182 -1.102 -8.793
364 H VAL 58 H VAL 58 -8.319 3.040 -2.297
365 HA VAL 58 HA VAL 58 -7.249 5.202 -3.980
366 HB VAL 58 HB VAL 58 -8.637 6.171 -2.191
367 HG11 VAL 58 1HG1 VAL 58 -8.018 5.965 0.153
368 HG12 VAL 58 2HG1 VAL 58 -6.730 4.840 -0.276
369 HG13 VAL 58 3HG1 VAL 58 -8.416 4.389 -0.533
370 HG21 VAL 58 3HG2 VAL 58 -6.977 7.710 -1.262
371 HG22 VAL 58 1HG2 VAL 58 -6.718 7.426 -2.983
372 HG23 VAL 58 2HG2 VAL 58 -5.688 6.628 -1.793
373 H GLU 59 H GLU 59 -4.992 5.383 -3.990
374 HA GLU 59 HA GLU 59 -3.651 3.176 -2.587
375 HB2 GLU 59 2HB GLU 59 -1.922 3.280 -4.329
376 HB3 GLU 59 1HB GLU 59 -3.512 2.945 -4.995
377 HG2 GLU 59 2HG GLU 59 -3.712 5.274 -5.701
378 HG3 GLU 59 1HG GLU 59 -2.117 5.613 -5.029
379 H VAL 60 H VAL 60 -1.998 3.538 -1.280
380 HA VAL 60 HA VAL 60 -1.225 6.338 -0.813
381 HB VAL 60 HB VAL 60 -0.804 3.982 1.038
382 HG11 VAL 60 1HG1 VAL 60 -0.666 6.951 1.528
383 HG12 VAL 60 2HG1 VAL 60 0.711 5.855 1.404
384 HG13 VAL 60 3HG1 VAL 60 -0.431 5.690 2.738
385 HG21 VAL 60 3HG2 VAL 60 -3.192 4.311 0.716
386 HG22 VAL 60 1HG2 VAL 60 -3.020 6.028 1.079
387 HG23 VAL 60 2HG2 VAL 60 -2.710 4.828 2.333
388 H HIS 61 H HIS 61 0.686 6.918 -1.565
389 HA HIS 61 HA HIS 61 2.565 4.865 -2.421
390 HB2 HIS 61 2HB HIS 61 2.247 7.783 -2.958
391 HB3 HIS 61 1HB HIS 61 3.802 7.014 -3.258
392 HD1 HIS 61 1HD HIS 61 0.626 7.678 -4.862
393 HD2 HIS 61 2HD HIS 61 3.495 4.677 -5.038
394 HE1 HIS 61 1HE HIS 61 0.247 6.497 -7.051
395 HE2 HIS 61 2HE HIS 61 1.802 4.510 -6.972
396 H LEU 62 H LEU 62 4.276 4.289 -1.354
397 HA LEU 62 HA LEU 62 5.288 6.005 0.831
398 HB2 LEU 62 2HB LEU 62 4.859 3.058 0.587
399 HB3 LEU 62 1HB LEU 62 6.206 3.619 1.551
400 HG LEU 62 HG LEU 62 4.858 4.395 3.240
401 HD11 LEU 62 1HD1 LEU 62 2.537 5.101 2.997
402 HD12 LEU 62 2HD1 LEU 62 2.588 4.699 1.280
403 HD13 LEU 62 3HD1 LEU 62 3.590 6.007 1.911
404 HD21 LEU 62 3HD2 LEU 62 3.018 2.831 3.591
405 HD22 LEU 62 1HD2 LEU 62 4.475 2.018 3.018
406 HD23 LEU 62 2HD2 LEU 62 3.140 2.325 1.906
407 H ASP 63 H ASP 63 7.549 6.207 1.030
408 HA ASP 63 HA ASP 63 9.018 5.531 -1.398
409 HB2 ASP 63 2HB ASP 63 10.650 7.113 -0.763
410 HB3 ASP 63 1HB ASP 63 9.117 7.840 -0.317
411 H ARG 64 H ARG 64 11.591 5.364 -0.396
412 HA ARG 64 HA ARG 64 11.863 2.631 -0.008
413 HB2 ARG 64 2HB ARG 64 13.845 4.727 0.874
414 HB3 ARG 64 1HB ARG 64 14.187 3.056 0.455
415 HG2 ARG 64 2HG ARG 64 13.597 3.486 -1.857
416 HG3 ARG 64 1HG ARG 64 13.175 5.152 -1.452
417 HD2 ARG 64 2HD ARG 64 15.891 3.859 -1.314
418 HD3 ARG 64 1HD ARG 64 15.375 5.163 -2.382
419 HE ARG 64 HE ARG 64 14.972 6.231 0.057
420 HH11 ARG 64 1HH1 ARG 64 17.730 4.575 -1.332
421 HH12 ARG 64 2HH1 ARG 64 18.892 5.466 -0.398
422 HH21 ARG 64 1HH2 ARG 64 16.488 7.360 1.314
423 HH22 ARG 64 2HH2 ARG 64 18.183 7.023 1.139
424 H ASP 65 H ASP 65 11.675 5.228 2.386
425 HA ASP 65 HA ASP 65 12.341 3.382 4.542
426 HB2 ASP 65 2HB ASP 65 11.841 6.347 4.450
427 HB3 ASP 65 1HB ASP 65 11.989 5.475 5.971
428 H PHE 66 H PHE 66 9.716 3.469 2.913
429 HA PHE 66 HA PHE 66 7.561 2.861 3.293
430 HB2 PHE 66 2HB PHE 66 8.995 1.806 5.463
431 HB3 PHE 66 1HB PHE 66 7.574 2.566 6.172
432 HD1 PHE 66 2HD PHE 66 5.304 1.901 5.308
433 HD2 PHE 66 1HD PHE 66 8.846 -0.257 4.380
434 HE1 PHE 66 2HE PHE 66 3.946 -0.052 4.676
435 HE2 PHE 66 1HE PHE 66 7.504 -2.212 3.752
436 HZ PHE 66 HZ PHE 66 5.044 -2.110 3.896
437 H ARG 67 H ARG 67 8.578 5.663 3.705
438 HA ARG 67 HA ARG 67 6.680 6.765 5.607
439 HB2 ARG 67 2HB ARG 67 8.897 7.736 5.554
440 HB3 ARG 67 1HB ARG 67 8.763 8.045 3.830
441 HG2 ARG 67 2HG ARG 67 8.455 10.103 4.972
442 HG3 ARG 67 1HG ARG 67 6.890 9.605 4.330
443 HD2 ARG 67 2HD ARG 67 6.256 8.744 6.524
444 HD3 ARG 67 1HD ARG 67 7.827 9.219 7.171
445 HE ARG 67 HE ARG 67 5.879 11.168 6.097
446 HH11 ARG 67 1HH1 ARG 67 8.245 10.188 8.498
447 HH12 ARG 67 2HH1 ARG 67 8.070 11.646 9.433
448 HH21 ARG 67 1HH2 ARG 67 5.658 13.068 7.330
449 HH22 ARG 67 2HH2 ARG 67 6.611 13.271 8.771
450 H VAL 68 H VAL 68 4.800 7.701 5.088
451 HA VAL 68 HA VAL 68 3.630 7.364 2.572
452 HB VAL 68 HB VAL 68 2.229 7.561 4.506
453 HG11 VAL 68 1HG1 VAL 68 3.560 9.008 5.900
454 HG12 VAL 68 2HG1 VAL 68 1.944 9.689 5.717
455 HG13 VAL 68 3HG1 VAL 68 3.293 10.364 4.805
456 HG21 VAL 68 3HG2 VAL 68 1.232 8.284 2.416
457 HG22 VAL 68 1HG2 VAL 68 1.822 9.926 2.677
458 HG23 VAL 68 2HG2 VAL 68 0.603 9.244 3.755
459 H LEU 69 H LEU 69 4.127 8.326 0.755
460 HA LEU 69 HA LEU 69 5.370 10.941 0.701
461 HB2 LEU 69 2HB LEU 69 4.484 9.142 -1.563
462 HB3 LEU 69 1HB LEU 69 5.450 10.594 -1.733
463 HG LEU 69 HG LEU 69 6.292 8.062 -0.325
464 HD11 LEU 69 1HD1 LEU 69 7.862 7.834 -2.172
465 HD12 LEU 69 2HD1 LEU 69 7.203 9.288 -2.923
466 HD13 LEU 69 3HD1 LEU 69 6.197 7.850 -2.755
467 HD21 LEU 69 3HD2 LEU 69 8.475 9.131 -0.132
468 HD22 LEU 69 1HD2 LEU 69 7.241 10.059 0.720
469 HD23 LEU 69 2HD2 LEU 69 7.827 10.605 -0.852
470 H ASP 70 H ASP 70 2.396 9.423 -0.470
471 HA ASP 70 HA ASP 70 0.784 11.673 0.098
472 HB2 ASP 70 2HB ASP 70 2.115 12.252 -2.120
473 HB3 ASP 70 1HB ASP 70 0.905 11.207 -2.860
474 H THR 71 H THR 71 -1.416 11.289 -1.311
475 HA THR 71 HA THR 71 -1.950 8.428 -1.514
476 HB THR 71 HB THR 71 -3.594 10.197 0.314
477 HG1 THR 71 1HG THR 71 -1.361 8.575 0.778
478 HG21 THR 71 3HG2 THR 71 -4.850 8.361 -0.675
479 HG22 THR 71 1HG2 THR 71 -4.580 8.066 1.042
480 HG23 THR 71 2HG2 THR 71 -3.611 7.216 -0.162
481 H GLU 72 H GLU 72 -2.766 8.359 -3.524
482 HA GLU 72 HA GLU 72 -4.818 10.347 -4.230
483 HB2 GLU 72 2HB GLU 72 -4.088 10.004 -6.619
484 HB3 GLU 72 1HB GLU 72 -2.948 10.855 -5.592
485 HG2 GLU 72 2HG GLU 72 -2.667 7.910 -5.962
486 HG3 GLU 72 1HG GLU 72 -2.143 9.003 -7.240
487 HA PRO 73 HA PRO 73 -7.651 7.039 -4.866
488 HB2 PRO 73 2HB PRO 73 -8.733 8.558 -7.153
489 HB3 PRO 73 1HB PRO 73 -9.528 8.071 -5.654
490 HG2 PRO 73 2HG PRO 73 -8.862 10.626 -6.113
491 HG3 PRO 73 1HG PRO 73 -8.763 9.916 -4.490
492 HD2 PRO 73 2HD PRO 73 -6.576 10.459 -6.461
493 HD3 PRO 73 1HD PRO 73 -6.588 10.687 -4.699
494 H ALA 74 H ALA 74 -7.542 5.171 -5.941
495 HA ALA 74 HA ALA 74 -6.112 5.154 -8.513
496 HB1 ALA 74 1HB ALA 74 -4.981 3.935 -6.722
497 HB2 ALA 74 2HB ALA 74 -5.511 2.845 -8.003
498 HB3 ALA 74 3HB ALA 74 -6.415 2.935 -6.491
499 H ASP 75 H ASP 75 -7.687 5.295 -10.012
500 HA ASP 75 HA ASP 75 -10.106 3.716 -9.734
501 HB2 ASP 75 2HB ASP 75 -10.271 6.022 -10.586
502 HB3 ASP 75 1HB ASP 75 -9.241 5.592 -11.949
503 H GLY 76 H GLY 76 -10.607 1.937 -10.891
504 HA2 GLY 76 2HA GLY 76 -8.454 0.412 -11.949
505 HA3 GLY 76 1HA GLY 76 -10.150 -0.044 -11.952
506 H ASP 77 H ASP 77 -10.847 2.485 -13.424
507 HA ASP 77 HA ASP 77 -10.376 1.408 -16.070
508 HB2 ASP 77 2HB ASP 77 -12.587 2.324 -15.436
509 HB3 ASP 77 1HB ASP 77 -11.856 3.912 -15.224
510 H GLY 78 H GLY 78 -9.971 4.650 -14.632
511 HA2 GLY 78 2HA GLY 78 -8.168 6.073 -14.647
512 HA3 GLY 78 1HA GLY 78 -7.205 4.767 -15.306
513 H GLY 79 H GLY 79 -8.941 4.490 -17.687
514 HA2 GLY 79 2HA GLY 79 -7.312 6.020 -19.379
515 HA3 GLY 79 1HA GLY 79 -8.736 5.125 -19.871
516 H LEU 80 H LEU 80 -7.457 7.936 -20.270
517 HA LEU 80 HA LEU 80 -10.024 9.375 -20.157
518 HB2 LEU 80 2HB LEU 80 -7.225 10.449 -19.793
519 HB3 LEU 80 1HB LEU 80 -8.622 11.472 -20.060
520 HG LEU 80 HG LEU 80 -8.255 9.621 -17.701
521 HD11 LEU 80 1HD1 LEU 80 -7.940 11.670 -16.410
522 HD12 LEU 80 2HD1 LEU 80 -8.023 12.621 -17.894
523 HD13 LEU 80 3HD1 LEU 80 -6.693 11.489 -17.644
524 HD21 LEU 80 3HD2 LEU 80 -10.369 11.695 -18.282
525 HD22 LEU 80 1HD2 LEU 80 -10.208 10.769 -16.790
526 HD23 LEU 80 2HD2 LEU 80 -10.600 9.947 -18.300
527 H GLU 81 H GLU 81 -10.787 9.951 -22.084
528 HA GLU 81 HA GLU 81 -8.876 10.344 -24.282
529 HB2 GLU 81 2HB GLU 81 -11.517 8.875 -24.418
530 HB3 GLU 81 1HB GLU 81 -10.564 9.331 -25.824
531 HG2 GLU 81 2HG GLU 81 -8.722 7.943 -25.032
532 HG3 GLU 81 1HG GLU 81 -9.666 7.494 -23.614
Start of MODEL 6
1 H1 GLY 1 1HT GLY 1 14.724 0.633 14.041
2 H2 GLY 1 2HT GLY 1 14.947 2.315 14.131
3 H3 GLY 1 3HT GLY 1 13.867 1.661 12.998
4 HA2 GLY 1 1HA GLY 1 13.556 1.541 15.945
5 HA3 GLY 1 2HA GLY 1 12.681 2.623 14.869
6 H ALA 2 H ALA 2 10.625 1.925 14.814
7 HA ALA 2 HA ALA 2 10.111 -0.953 14.720
8 HB1 ALA 2 1HB ALA 2 8.168 1.330 15.083
9 HB2 ALA 2 2HB ALA 2 8.876 0.370 16.381
10 HB3 ALA 2 3HB ALA 2 7.795 -0.389 15.213
11 H MET 3 H MET 3 10.718 -1.363 12.587
12 HA MET 3 HA MET 3 9.355 0.082 10.460
13 HB2 MET 3 2HB MET 3 10.811 -1.123 8.934
14 HB3 MET 3 1HB MET 3 11.764 -0.406 10.223
15 HG2 MET 3 2HG MET 3 10.908 -3.291 10.153
16 HG3 MET 3 1HG MET 3 12.461 -2.700 9.570
17 HE1 MET 3 3HE MET 3 13.686 -4.449 11.120
18 HE2 MET 3 1HE MET 3 12.148 -5.036 11.753
19 HE3 MET 3 2HE MET 3 13.440 -4.571 12.861
20 H ALA 4 H ALA 4 7.813 -0.772 9.153
21 HA ALA 4 HA ALA 4 6.510 -3.180 10.131
22 HB1 ALA 4 1HB ALA 4 5.635 -1.206 8.023
23 HB2 ALA 4 2HB ALA 4 5.132 -1.215 9.714
24 HB3 ALA 4 3HB ALA 4 4.665 -2.540 8.647
25 H PHE 5 H PHE 5 8.258 -4.581 9.386
26 HA PHE 5 HA PHE 5 7.787 -5.367 6.591
27 HB2 PHE 5 2HB PHE 5 10.451 -5.185 8.008
28 HB3 PHE 5 1HB PHE 5 10.216 -6.097 6.522
29 HD1 PHE 5 2HD PHE 5 9.768 -4.958 4.424
30 HD2 PHE 5 1HD PHE 5 10.506 -2.791 8.007
31 HE1 PHE 5 2HE PHE 5 10.174 -2.928 3.102
32 HE2 PHE 5 1HE PHE 5 10.915 -0.752 6.692
33 HZ PHE 5 HZ PHE 5 10.751 -0.820 4.236
34 H ASP 6 H ASP 6 6.274 -6.540 8.323
35 HA ASP 6 HA ASP 6 6.762 -9.252 8.113
36 HB2 ASP 6 2HB ASP 6 8.565 -8.936 9.754
37 HB3 ASP 6 1HB ASP 6 7.428 -8.192 10.872
38 H GLY 7 H GLY 7 4.589 -9.215 7.556
39 HA2 GLY 7 2HA GLY 7 2.673 -8.501 9.660
40 HA3 GLY 7 1HA GLY 7 2.284 -8.905 7.989
41 H GLU 8 H GLU 8 2.408 -11.105 7.321
42 HA GLU 8 HA GLU 8 2.813 -13.124 9.373
43 HB2 GLU 8 2HB GLU 8 0.195 -12.770 7.922
44 HB3 GLU 8 1HB GLU 8 0.692 -14.332 8.560
45 HG2 GLU 8 2HG GLU 8 0.918 -13.261 10.801
46 HG3 GLU 8 1HG GLU 8 0.215 -11.801 10.113
47 H ASP 9 H ASP 9 3.679 -14.962 8.589
48 HA ASP 9 HA ASP 9 4.931 -14.671 6.028
49 HB2 ASP 9 2HB ASP 9 5.971 -15.562 8.182
50 HB3 ASP 9 1HB ASP 9 5.108 -17.061 7.859
51 H GLU 10 H GLU 10 1.935 -15.637 6.619
52 HA GLU 10 HA GLU 10 1.824 -18.208 5.375
53 HB2 GLU 10 2HB GLU 10 -0.569 -18.005 5.571
54 HB3 GLU 10 1HB GLU 10 0.175 -17.419 7.052
55 HG2 GLU 10 2HG GLU 10 -0.114 -15.113 6.277
56 HG3 GLU 10 1HG GLU 10 -0.887 -15.714 4.811
57 H VAL 11 H VAL 11 2.018 -15.035 4.156
58 HA VAL 11 HA VAL 11 0.594 -15.672 1.692
59 HB VAL 11 HB VAL 11 0.979 -13.322 1.071
60 HG11 VAL 11 1HG1 VAL 11 -0.166 -13.700 3.836
61 HG12 VAL 11 2HG1 VAL 11 -1.027 -13.890 2.308
62 HG13 VAL 11 3HG1 VAL 11 -0.442 -12.301 2.800
63 HG21 VAL 11 3HG2 VAL 11 2.348 -13.119 3.754
64 HG22 VAL 11 1HG2 VAL 11 1.944 -11.761 2.702
65 HG23 VAL 11 2HG2 VAL 11 3.118 -12.966 2.175
66 H THR 12 H THR 12 1.618 -15.131 -0.400
67 HA THR 12 HA THR 12 4.401 -16.045 -0.419
68 HB THR 12 HB THR 12 3.918 -16.343 -2.923
69 HG1 THR 12 1HG THR 12 2.003 -15.104 -3.038
70 HG21 THR 12 3HG2 THR 12 4.062 -18.230 -1.392
71 HG22 THR 12 1HG2 THR 12 2.747 -18.482 -2.539
72 HG23 THR 12 2HG2 THR 12 2.392 -17.974 -0.887
73 H GLY 13 H GLY 13 2.829 -13.186 -0.434
74 HA2 GLY 13 2HA GLY 13 4.731 -11.937 -2.308
75 HA3 GLY 13 1HA GLY 13 3.182 -11.242 -1.842
76 HA PRO 14 HA PRO 14 6.666 -10.758 1.612
77 HB2 PRO 14 2HB PRO 14 8.808 -9.515 0.408
78 HB3 PRO 14 1HB PRO 14 8.727 -11.244 0.761
79 HG2 PRO 14 2HG PRO 14 8.218 -9.805 -1.805
80 HG3 PRO 14 1HG PRO 14 9.047 -11.348 -1.530
81 HD2 PRO 14 2HD PRO 14 6.517 -11.228 -2.444
82 HD3 PRO 14 1HD PRO 14 7.067 -12.526 -1.364
83 H ASP 15 H ASP 15 6.688 -8.561 -1.186
84 HA ASP 15 HA ASP 15 6.703 -6.199 0.410
85 HB2 ASP 15 2HB ASP 15 6.364 -5.017 -1.720
86 HB3 ASP 15 1HB ASP 15 7.644 -6.217 -1.852
87 H ALA 16 H ALA 16 4.244 -8.114 -1.185
88 HA ALA 16 HA ALA 16 2.059 -6.385 -0.860
89 HB1 ALA 16 1HB ALA 16 0.665 -8.364 -1.163
90 HB2 ALA 16 2HB ALA 16 2.064 -9.403 -0.894
91 HB3 ALA 16 3HB ALA 16 2.004 -8.356 -2.312
92 H ASP 17 H ASP 17 3.388 -8.891 1.256
93 HA ASP 17 HA ASP 17 1.438 -8.906 3.237
94 HB2 ASP 17 2HB ASP 17 3.077 -10.603 3.320
95 HB3 ASP 17 1HB ASP 17 4.400 -9.442 3.320
96 H ARG 18 H ARG 18 4.408 -6.965 3.090
97 HA ARG 18 HA ARG 18 4.229 -5.877 5.646
98 HB2 ARG 18 2HB ARG 18 5.371 -4.274 3.390
99 HB3 ARG 18 1HB ARG 18 5.935 -4.411 5.044
100 HG2 ARG 18 2HG ARG 18 6.197 -6.468 2.870
101 HG3 ARG 18 1HG ARG 18 7.484 -5.486 3.568
102 HD2 ARG 18 2HD ARG 18 7.002 -6.586 5.766
103 HD3 ARG 18 1HD ARG 18 5.901 -7.670 4.910
104 HE ARG 18 HE ARG 18 8.736 -7.459 4.127
105 HH11 ARG 18 1HH1 ARG 18 6.002 -9.396 5.213
106 HH12 ARG 18 2HH1 ARG 18 6.825 -10.906 4.919
107 HH21 ARG 18 1HH2 ARG 18 9.783 -9.429 3.765
108 HH22 ARG 18 2HH2 ARG 18 8.985 -10.928 4.139
109 H ALA 19 H ALA 19 3.130 -4.508 2.558
110 HA ALA 19 HA ALA 19 2.174 -2.116 3.829
111 HB1 ALA 19 1HB ALA 19 3.128 -2.044 1.592
112 HB2 ALA 19 2HB ALA 19 1.466 -1.453 1.591
113 HB3 ALA 19 3HB ALA 19 1.828 -3.074 0.996
114 H ARG 20 H ARG 20 0.733 -5.126 2.695
115 HA ARG 20 HA ARG 20 -1.953 -4.173 2.739
116 HB2 ARG 20 2HB ARG 20 -1.164 -6.205 1.490
117 HB3 ARG 20 1HB ARG 20 -1.028 -7.037 3.032
118 HG2 ARG 20 2HG ARG 20 -3.423 -6.764 3.402
119 HG3 ARG 20 1HG ARG 20 -3.561 -5.896 1.871
120 HD2 ARG 20 2HD ARG 20 -2.635 -7.940 0.747
121 HD3 ARG 20 1HD ARG 20 -2.786 -8.773 2.293
122 HE ARG 20 HE ARG 20 -5.245 -7.560 1.545
123 HH11 ARG 20 1HH1 ARG 20 -3.185 -10.297 0.831
124 HH12 ARG 20 2HH1 ARG 20 -4.488 -11.303 0.280
125 HH21 ARG 20 1HH2 ARG 20 -6.967 -8.884 0.836
126 HH22 ARG 20 2HH2 ARG 20 -6.639 -10.502 0.302
127 H ALA 21 H ALA 21 0.167 -5.704 5.093
128 HA ALA 21 HA ALA 21 -1.761 -6.074 7.122
129 HB1 ALA 21 1HB ALA 21 0.440 -7.156 7.163
130 HB2 ALA 21 2HB ALA 21 0.125 -6.257 8.647
131 HB3 ALA 21 3HB ALA 21 1.201 -5.585 7.422
132 H ALA 22 H ALA 22 0.278 -3.351 6.225
133 HA ALA 22 HA ALA 22 -0.470 -1.707 8.439
134 HB1 ALA 22 1HB ALA 22 1.626 -1.369 7.224
135 HB2 ALA 22 2HB ALA 22 0.637 0.092 7.210
136 HB3 ALA 22 3HB ALA 22 0.719 -0.933 5.777
137 H ALA 23 H ALA 23 -1.698 -2.261 5.217
138 HA ALA 23 HA ALA 23 -3.333 -0.063 4.836
139 HB1 ALA 23 1HB ALA 23 -2.827 -1.761 3.128
140 HB2 ALA 23 2HB ALA 23 -4.555 -1.430 3.257
141 HB3 ALA 23 3HB ALA 23 -3.882 -2.895 3.971
142 H VAL 24 H VAL 24 -3.852 -2.903 6.807
143 HA VAL 24 HA VAL 24 -6.601 -2.751 7.204
144 HB VAL 24 HB VAL 24 -4.529 -3.612 9.233
145 HG11 VAL 24 1HG1 VAL 24 -7.456 -4.298 8.992
146 HG12 VAL 24 2HG1 VAL 24 -6.714 -3.301 10.242
147 HG13 VAL 24 3HG1 VAL 24 -6.328 -5.019 10.141
148 HG21 VAL 24 3HG2 VAL 24 -4.895 -5.872 8.349
149 HG22 VAL 24 1HG2 VAL 24 -4.234 -4.785 7.128
150 HG23 VAL 24 2HG2 VAL 24 -5.948 -5.205 7.101
151 H GLN 25 H GLN 25 -4.016 -0.872 8.614
152 HA GLN 25 HA GLN 25 -5.862 0.434 10.467
153 HB2 GLN 25 2HB GLN 25 -2.868 0.617 10.116
154 HB3 GLN 25 1HB GLN 25 -3.766 1.657 11.208
155 HG2 GLN 25 2HG GLN 25 -2.895 -0.052 12.540
156 HG3 GLN 25 1HG GLN 25 -4.598 -0.448 12.327
157 HE21 GLN 25 1HE2 GLN 25 -2.133 -0.941 9.884
158 HE22 GLN 25 2HE2 GLN 25 -2.181 -2.672 9.913
159 H ALA 26 H ALA 26 -4.686 0.824 7.344
160 HA ALA 26 HA ALA 26 -4.633 3.722 7.371
161 HB1 ALA 26 1HB ALA 26 -4.310 1.798 5.072
162 HB2 ALA 26 2HB ALA 26 -3.003 2.501 6.024
163 HB3 ALA 26 3HB ALA 26 -4.016 3.537 5.019
164 H VAL 27 H VAL 27 -6.797 1.148 6.430
165 HA VAL 27 HA VAL 27 -8.693 3.172 5.459
166 HB VAL 27 HB VAL 27 -8.146 1.491 3.764
167 HG11 VAL 27 1HG1 VAL 27 -7.590 -0.375 5.235
168 HG12 VAL 27 2HG1 VAL 27 -8.780 -0.840 4.019
169 HG13 VAL 27 3HG1 VAL 27 -9.292 -0.532 5.678
170 HG21 VAL 27 3HG2 VAL 27 -10.425 0.814 3.188
171 HG22 VAL 27 1HG2 VAL 27 -10.362 2.486 3.747
172 HG23 VAL 27 2HG2 VAL 27 -10.954 1.220 4.821
173 HA PRO 28 HA PRO 28 -10.913 2.345 9.209
174 HB2 PRO 28 2HB PRO 28 -13.124 3.883 8.127
175 HB3 PRO 28 1HB PRO 28 -12.009 4.309 9.426
176 HG2 PRO 28 2HG PRO 28 -12.046 5.534 6.979
177 HG3 PRO 28 1HG PRO 28 -10.617 5.450 8.024
178 HD2 PRO 28 2HD PRO 28 -11.303 3.845 5.605
179 HD3 PRO 28 1HD PRO 28 -9.724 4.438 6.158
180 H GLY 29 H GLY 29 -11.321 0.129 8.870
181 HA2 GLY 29 2HA GLY 29 -12.767 -1.655 8.799
182 HA3 GLY 29 1HA GLY 29 -14.076 -0.492 8.658
183 H GLY 30 H GLY 30 -11.548 -0.405 6.315
184 HA2 GLY 30 2HA GLY 30 -13.496 -1.232 4.291
185 HA3 GLY 30 1HA GLY 30 -12.023 -0.321 3.996
186 H THR 31 H THR 31 -11.775 -1.902 2.249
187 HA THR 31 HA THR 31 -10.840 -4.517 3.196
188 HB THR 31 HB THR 31 -12.548 -4.749 1.527
189 HG1 THR 31 1HG THR 31 -10.445 -6.009 1.387
190 HG21 THR 31 3HG2 THR 31 -12.338 -3.830 -0.729
191 HG22 THR 31 1HG2 THR 31 -10.853 -3.003 -0.260
192 HG23 THR 31 2HG2 THR 31 -12.388 -2.548 0.480
193 H ALA 32 H ALA 32 -8.797 -5.180 2.889
194 HA ALA 32 HA ALA 32 -6.908 -3.168 1.870
195 HB1 ALA 32 1HB ALA 32 -6.442 -5.440 3.805
196 HB2 ALA 32 2HB ALA 32 -6.599 -3.734 4.225
197 HB3 ALA 32 3HB ALA 32 -5.225 -4.285 3.265
198 H GLY 33 H GLY 33 -6.296 -3.578 -0.140
199 HA2 GLY 33 2HA GLY 33 -6.363 -6.303 -1.165
200 HA3 GLY 33 1HA GLY 33 -6.093 -4.841 -2.100
201 H GLU 34 H GLU 34 -4.578 -7.182 -2.399
202 HA GLU 34 HA GLU 34 -2.089 -6.876 -1.016
203 HB2 GLU 34 2HB GLU 34 -1.292 -8.554 -2.749
204 HB3 GLU 34 1HB GLU 34 -2.591 -9.077 -1.687
205 HG2 GLU 34 2HG GLU 34 -4.196 -8.469 -3.511
206 HG3 GLU 34 1HG GLU 34 -2.799 -8.222 -4.560
207 H VAL 35 H VAL 35 -0.149 -6.076 -1.826
208 HA VAL 35 HA VAL 35 -0.563 -4.032 -3.904
209 HB VAL 35 HB VAL 35 0.856 -2.534 -2.677
210 HG11 VAL 35 1HG1 VAL 35 -1.169 -3.826 -0.855
211 HG12 VAL 35 2HG1 VAL 35 -1.464 -2.519 -2.002
212 HG13 VAL 35 3HG1 VAL 35 -0.437 -2.243 -0.595
213 HG21 VAL 35 3HG2 VAL 35 2.465 -4.121 -1.799
214 HG22 VAL 35 1HG2 VAL 35 1.247 -4.786 -0.712
215 HG23 VAL 35 2HG2 VAL 35 1.813 -3.131 -0.494
216 H GLU 36 H GLU 36 1.239 -3.406 -5.173
217 HA GLU 36 HA GLU 36 3.510 -5.278 -5.123
218 HB2 GLU 36 2HB GLU 36 3.846 -4.877 -7.472
219 HB3 GLU 36 1HB GLU 36 2.163 -5.320 -7.231
220 HG2 GLU 36 2HG GLU 36 1.440 -3.082 -7.529
221 HG3 GLU 36 1HG GLU 36 3.092 -2.470 -7.457
222 H THR 37 H THR 37 5.618 -4.349 -5.508
223 HA THR 37 HA THR 37 6.005 -1.777 -4.335
224 HB THR 37 HB THR 37 8.407 -2.134 -5.166
225 HG1 THR 37 1HG THR 37 7.592 -3.762 -6.769
226 HG21 THR 37 3HG2 THR 37 8.874 -3.801 -3.431
227 HG22 THR 37 1HG2 THR 37 7.154 -4.192 -3.349
228 HG23 THR 37 2HG2 THR 37 7.720 -2.590 -2.874
229 H GLU 38 H GLU 38 5.915 0.142 -5.302
230 HA GLU 38 HA GLU 38 5.467 0.394 -8.106
231 HB2 GLU 38 2HB GLU 38 6.084 2.517 -6.038
232 HB3 GLU 38 1HB GLU 38 5.529 2.830 -7.677
233 HG2 GLU 38 2HG GLU 38 3.463 1.542 -7.143
234 HG3 GLU 38 1HG GLU 38 4.016 1.459 -5.470
235 H THR 39 H THR 39 6.882 0.862 -9.709
236 HA THR 39 HA THR 39 9.679 1.328 -8.919
237 HB THR 39 HB THR 39 8.844 -0.134 -11.426
238 HG1 THR 39 1HG THR 39 8.589 -1.031 -8.971
239 HG21 THR 39 3HG2 THR 39 11.459 0.023 -9.917
240 HG22 THR 39 1HG2 THR 39 11.091 0.847 -11.432
241 HG23 THR 39 2HG2 THR 39 11.171 -0.914 -11.383
242 H GLY 40 H GLY 40 10.353 3.261 -9.513
243 HA2 GLY 40 2HA GLY 40 10.182 4.290 -12.112
244 HA3 GLY 40 1HA GLY 40 8.913 5.031 -11.143
245 H GLU 41 H GLU 41 9.818 7.079 -11.186
246 HA GLU 41 HA GLU 41 12.414 7.328 -9.811
247 HB2 GLU 41 2HB GLU 41 11.071 9.270 -11.698
248 HB3 GLU 41 1HB GLU 41 12.616 9.528 -10.894
249 HG2 GLU 41 2HG GLU 41 13.534 7.575 -12.069
250 HG3 GLU 41 1HG GLU 41 11.993 7.369 -12.898
251 H GLY 42 H GLY 42 12.262 7.924 -7.783
252 HA2 GLY 42 2HA GLY 42 11.369 10.132 -6.625
253 HA3 GLY 42 1HA GLY 42 9.858 9.246 -6.804
254 H ALA 43 H ALA 43 10.062 9.563 -4.354
255 HA ALA 43 HA ALA 43 11.821 7.586 -3.110
256 HB1 ALA 43 1HB ALA 43 11.095 8.554 -0.991
257 HB2 ALA 43 2HB ALA 43 9.932 9.570 -1.843
258 HB3 ALA 43 3HB ALA 43 11.662 9.810 -2.093
259 H ALA 44 H ALA 44 8.831 7.603 -4.498
260 HA ALA 44 HA ALA 44 7.381 6.044 -2.567
261 HB1 ALA 44 1HB ALA 44 5.652 5.897 -4.282
262 HB2 ALA 44 2HB ALA 44 6.755 6.599 -5.465
263 HB3 ALA 44 3HB ALA 44 6.210 7.560 -4.090
264 H ALA 45 H ALA 45 7.910 4.015 -2.170
265 HA ALA 45 HA ALA 45 8.779 2.323 -4.424
266 HB1 ALA 45 1HB ALA 45 9.479 2.051 -1.502
267 HB2 ALA 45 2HB ALA 45 10.541 2.667 -2.768
268 HB3 ALA 45 3HB ALA 45 10.020 0.983 -2.797
269 H TYR 46 H TYR 46 6.385 2.822 -2.057
270 HA TYR 46 HA TYR 46 5.255 0.168 -2.628
271 HB2 TYR 46 2HB TYR 46 5.226 1.559 0.064
272 HB3 TYR 46 1HB TYR 46 4.395 0.057 -0.315
273 HD1 TYR 46 1HD TYR 46 5.677 -2.016 -0.670
274 HD2 TYR 46 2HD TYR 46 7.588 1.606 0.487
275 HE1 TYR 46 1HE TYR 46 7.673 -3.289 -0.001
276 HE2 TYR 46 2HE TYR 46 9.588 0.346 1.154
277 HH TYR 46 HH TYR 46 10.223 -1.894 1.809
278 H GLY 47 H GLY 47 3.198 0.215 -3.302
279 HA2 GLY 47 2HA GLY 47 1.665 2.691 -2.821
280 HA3 GLY 47 1HA GLY 47 1.499 1.709 -4.273
281 H VAL 48 H VAL 48 0.181 2.381 -1.304
282 HA VAL 48 HA VAL 48 -0.898 -0.313 -0.907
283 HB VAL 48 HB VAL 48 -1.154 2.098 0.893
284 HG11 VAL 48 1HG1 VAL 48 -2.891 0.459 1.269
285 HG12 VAL 48 2HG1 VAL 48 -1.741 0.433 2.606
286 HG13 VAL 48 3HG1 VAL 48 -1.689 -0.827 1.374
287 HG21 VAL 48 3HG2 VAL 48 0.592 1.064 2.262
288 HG22 VAL 48 1HG2 VAL 48 1.186 1.472 0.653
289 HG23 VAL 48 2HG2 VAL 48 0.790 -0.201 1.048
290 H LEU 49 H LEU 49 -2.827 -0.772 -1.724
291 HA LEU 49 HA LEU 49 -4.673 1.395 -2.363
292 HB2 LEU 49 2HB LEU 49 -6.001 -0.432 -3.476
293 HB3 LEU 49 1HB LEU 49 -4.425 -0.109 -4.172
294 HG LEU 49 HG LEU 49 -4.577 -2.286 -2.156
295 HD11 LEU 49 1HD1 LEU 49 -5.366 -3.893 -3.789
296 HD12 LEU 49 2HD1 LEU 49 -5.588 -2.612 -4.979
297 HD13 LEU 49 3HD1 LEU 49 -6.590 -2.652 -3.527
298 HD21 LEU 49 3HD2 LEU 49 -2.947 -3.301 -3.651
299 HD22 LEU 49 1HD2 LEU 49 -2.469 -1.654 -3.239
300 HD23 LEU 49 2HD2 LEU 49 -3.183 -1.998 -4.815
301 H VAL 50 H VAL 50 -5.898 2.017 -0.731
302 HA VAL 50 HA VAL 50 -7.100 -0.070 0.964
303 HB VAL 50 HB VAL 50 -7.420 1.871 2.641
304 HG11 VAL 50 1HG1 VAL 50 -5.196 1.477 3.593
305 HG12 VAL 50 2HG1 VAL 50 -4.675 0.762 2.066
306 HG13 VAL 50 3HG1 VAL 50 -5.938 -0.015 3.019
307 HG21 VAL 50 3HG2 VAL 50 -5.177 2.998 0.967
308 HG22 VAL 50 1HG2 VAL 50 -5.708 3.615 2.531
309 HG23 VAL 50 2HG2 VAL 50 -6.790 3.692 1.140
310 H THR 51 H THR 51 -9.028 -0.446 0.175
311 HA THR 51 HA THR 51 -10.607 1.706 -0.995
312 HB THR 51 HB THR 51 -11.302 -1.234 -0.891
313 HG1 THR 51 1HG THR 51 -9.700 -1.500 -2.251
314 HG21 THR 51 3HG2 THR 51 -12.143 0.996 -2.750
315 HG22 THR 51 1HG2 THR 51 -13.139 0.266 -1.490
316 HG23 THR 51 2HG2 THR 51 -12.635 -0.692 -2.883
317 H ARG 52 H ARG 52 -12.136 2.713 0.115
318 HA ARG 52 HA ARG 52 -12.968 1.773 2.719
319 HB2 ARG 52 2HB ARG 52 -13.554 4.204 1.061
320 HB3 ARG 52 1HB ARG 52 -14.597 3.809 2.415
321 HG2 ARG 52 2HG ARG 52 -13.063 5.357 3.239
322 HG3 ARG 52 1HG ARG 52 -12.514 3.796 3.842
323 HD2 ARG 52 2HD ARG 52 -10.727 3.721 2.315
324 HD3 ARG 52 1HD ARG 52 -11.412 5.016 1.329
325 HE ARG 52 HE ARG 52 -11.027 6.148 3.791
326 HH11 ARG 52 1HH1 ARG 52 -8.928 4.502 1.510
327 HH12 ARG 52 2HH1 ARG 52 -7.542 5.455 1.925
328 HH21 ARG 52 1HH2 ARG 52 -9.228 7.403 4.303
329 HH22 ARG 52 2HH2 ARG 52 -7.712 7.143 3.495
330 HA PRO 53 HA PRO 53 -16.757 -0.261 1.459
331 HB2 PRO 53 2HB PRO 53 -18.019 0.812 3.886
332 HB3 PRO 53 1HB PRO 53 -17.693 -0.866 3.446
333 HG2 PRO 53 2HG PRO 53 -16.328 0.378 5.398
334 HG3 PRO 53 1HG PRO 53 -15.568 -0.829 4.344
335 HD2 PRO 53 2HD PRO 53 -15.400 2.160 4.234
336 HD3 PRO 53 1HD PRO 53 -14.118 0.950 4.006
337 H ASP 54 H ASP 54 -16.274 2.974 1.652
338 HA ASP 54 HA ASP 54 -18.959 3.866 1.052
339 HB2 ASP 54 2HB ASP 54 -17.360 5.277 2.339
340 HB3 ASP 54 1HB ASP 54 -16.323 5.356 0.921
341 H GLY 55 H GLY 55 -16.353 2.489 -0.595
342 HA2 GLY 55 2HA GLY 55 -16.629 1.774 -2.861
343 HA3 GLY 55 1HA GLY 55 -17.581 3.219 -3.166
344 H THR 56 H THR 56 -15.166 4.387 -1.401
345 HA THR 56 HA THR 56 -13.738 5.243 -3.783
346 HB THR 56 HB THR 56 -14.421 7.050 -2.390
347 HG1 THR 56 1HG THR 56 -12.498 8.075 -2.240
348 HG21 THR 56 3HG2 THR 56 -14.716 5.863 -0.283
349 HG22 THR 56 1HG2 THR 56 -13.716 7.298 -0.055
350 HG23 THR 56 2HG2 THR 56 -12.969 5.702 -0.113
351 H ARG 57 H ARG 57 -11.818 4.538 -4.342
352 HA ARG 57 HA ARG 57 -10.253 2.957 -2.422
353 HB2 ARG 57 2HB ARG 57 -10.889 1.646 -4.344
354 HB3 ARG 57 1HB ARG 57 -10.345 2.903 -5.440
355 HG2 ARG 57 2HG ARG 57 -8.096 2.443 -5.050
356 HG3 ARG 57 1HG ARG 57 -8.442 1.545 -3.572
357 HD2 ARG 57 2HD ARG 57 -7.815 0.129 -5.533
358 HD3 ARG 57 1HD ARG 57 -9.366 -0.271 -4.805
359 HE ARG 57 HE ARG 57 -9.726 1.551 -6.945
360 HH11 ARG 57 1HH1 ARG 57 -9.059 -1.824 -6.249
361 HH12 ARG 57 2HH1 ARG 57 -9.676 -2.386 -7.781
362 HH21 ARG 57 1HH2 ARG 57 -10.546 0.792 -8.961
363 HH22 ARG 57 2HH2 ARG 57 -10.522 -0.914 -9.290
364 H VAL 58 H VAL 58 -8.381 3.787 -1.739
365 HA VAL 58 HA VAL 58 -7.289 6.089 -3.219
366 HB VAL 58 HB VAL 58 -7.285 5.751 -0.213
367 HG11 VAL 58 1HG1 VAL 58 -6.550 8.100 -1.953
368 HG12 VAL 58 2HG1 VAL 58 -5.429 7.074 -1.059
369 HG13 VAL 58 3HG1 VAL 58 -6.577 8.091 -0.190
370 HG21 VAL 58 3HG2 VAL 58 -9.051 7.499 -1.931
371 HG22 VAL 58 1HG2 VAL 58 -8.963 7.547 -0.170
372 HG23 VAL 58 2HG2 VAL 58 -9.566 6.102 -0.983
373 H GLU 59 H GLU 59 -5.131 6.109 -3.589
374 HA GLU 59 HA GLU 59 -3.565 3.817 -2.695
375 HB2 GLU 59 2HB GLU 59 -3.118 5.960 -4.754
376 HB3 GLU 59 1HB GLU 59 -1.806 4.924 -4.217
377 HG2 GLU 59 2HG GLU 59 -3.242 2.966 -4.894
378 HG3 GLU 59 1HG GLU 59 -4.310 4.137 -5.667
379 H VAL 60 H VAL 60 -2.351 3.954 -0.945
380 HA VAL 60 HA VAL 60 -1.335 6.589 -0.117
381 HB VAL 60 HB VAL 60 -1.183 4.019 1.457
382 HG11 VAL 60 1HG1 VAL 60 0.375 5.705 2.178
383 HG12 VAL 60 2HG1 VAL 60 -0.919 5.560 3.368
384 HG13 VAL 60 3HG1 VAL 60 -0.908 6.914 2.238
385 HG21 VAL 60 3HG2 VAL 60 -3.533 4.517 1.007
386 HG22 VAL 60 1HG2 VAL 60 -3.309 6.154 1.621
387 HG23 VAL 60 2HG2 VAL 60 -3.143 4.774 2.708
388 H HIS 61 H HIS 61 0.593 7.021 -0.983
389 HA HIS 61 HA HIS 61 2.324 4.810 -1.781
390 HB2 HIS 61 2HB HIS 61 2.424 7.767 -2.346
391 HB3 HIS 61 1HB HIS 61 3.685 6.651 -2.856
392 HD1 HIS 61 1HD HIS 61 2.270 8.102 -5.073
393 HD2 HIS 61 2HD HIS 61 0.868 4.513 -3.519
394 HE1 HIS 61 1HE HIS 61 0.818 7.108 -6.867
395 HE2 HIS 61 2HE HIS 61 0.070 4.876 -5.951
396 H LEU 62 H LEU 62 4.106 4.242 -0.772
397 HA LEU 62 HA LEU 62 4.773 5.753 1.664
398 HB2 LEU 62 2HB LEU 62 4.358 2.894 1.099
399 HB3 LEU 62 1HB LEU 62 5.712 3.262 2.147
400 HG LEU 62 HG LEU 62 4.368 3.965 3.872
401 HD11 LEU 62 1HD1 LEU 62 2.151 4.546 1.915
402 HD12 LEU 62 2HD1 LEU 62 3.229 5.743 2.633
403 HD13 LEU 62 3HD1 LEU 62 2.112 4.838 3.654
404 HD21 LEU 62 3HD2 LEU 62 3.883 1.626 3.405
405 HD22 LEU 62 1HD2 LEU 62 2.567 2.111 2.334
406 HD23 LEU 62 2HD2 LEU 62 2.468 2.450 4.063
407 H ASP 63 H ASP 63 6.907 5.586 2.457
408 HA ASP 63 HA ASP 63 8.917 5.733 0.360
409 HB2 ASP 63 2HB ASP 63 8.907 7.560 1.917
410 HB3 ASP 63 1HB ASP 63 8.874 6.472 3.296
411 H ARG 64 H ARG 64 11.135 4.804 1.000
412 HA ARG 64 HA ARG 64 11.013 2.023 1.048
413 HB2 ARG 64 2HB ARG 64 13.410 3.594 1.976
414 HB3 ARG 64 1HB ARG 64 13.377 2.057 1.125
415 HG2 ARG 64 2HG ARG 64 13.387 3.050 -0.863
416 HG3 ARG 64 1HG ARG 64 12.099 4.166 -0.399
417 HD2 ARG 64 2HD ARG 64 15.046 4.445 0.174
418 HD3 ARG 64 1HD ARG 64 14.078 5.434 -0.922
419 HE ARG 64 HE ARG 64 12.836 6.186 1.109
420 HH11 ARG 64 1HH1 ARG 64 16.147 5.045 1.351
421 HH12 ARG 64 2HH1 ARG 64 16.408 5.769 2.909
422 HH21 ARG 64 1HH2 ARG 64 13.187 7.137 3.138
423 HH22 ARG 64 2HH2 ARG 64 14.733 6.986 3.908
424 H ASP 65 H ASP 65 11.305 4.338 3.683
425 HA ASP 65 HA ASP 65 11.703 2.178 5.615
426 HB2 ASP 65 2HB ASP 65 11.742 5.183 5.903
427 HB3 ASP 65 1HB ASP 65 11.819 4.093 7.283
428 H PHE 66 H PHE 66 9.170 2.921 4.044
429 HA PHE 66 HA PHE 66 6.960 2.613 4.330
430 HB2 PHE 66 2HB PHE 66 8.156 1.181 6.539
431 HB3 PHE 66 1HB PHE 66 6.552 1.780 6.952
432 HD1 PHE 66 1HD PHE 66 8.456 -0.368 4.661
433 HD2 PHE 66 2HD PHE 66 4.596 0.913 5.905
434 HE1 PHE 66 1HE PHE 66 7.437 -2.199 3.371
435 HE2 PHE 66 2HE PHE 66 3.569 -0.913 4.619
436 HZ PHE 66 HZ PHE 66 4.990 -2.470 3.350
437 H ARG 67 H ARG 67 8.011 5.212 4.881
438 HA ARG 67 HA ARG 67 6.000 6.187 6.774
439 HB2 ARG 67 2HB ARG 67 8.439 7.375 5.547
440 HB3 ARG 67 1HB ARG 67 7.107 8.459 5.927
441 HG2 ARG 67 2HG ARG 67 7.151 7.575 8.256
442 HG3 ARG 67 1HG ARG 67 8.613 6.683 7.826
443 HD2 ARG 67 2HD ARG 67 9.843 8.641 7.487
444 HD3 ARG 67 1HD ARG 67 8.393 9.639 7.388
445 HE ARG 67 HE ARG 67 8.649 8.390 9.937
446 HH11 ARG 67 1HH1 ARG 67 9.750 11.068 7.974
447 HH12 ARG 67 2HH1 ARG 67 10.164 12.066 9.335
448 HH21 ARG 67 1HH2 ARG 67 9.152 9.722 11.744
449 HH22 ARG 67 2HH2 ARG 67 9.841 11.300 11.476
450 H VAL 68 H VAL 68 4.350 7.603 6.112
451 HA VAL 68 HA VAL 68 3.411 7.115 3.454
452 HB VAL 68 HB VAL 68 1.773 7.255 5.212
453 HG11 VAL 68 1HG1 VAL 68 2.946 8.739 6.738
454 HG12 VAL 68 2HG1 VAL 68 1.311 9.323 6.428
455 HG13 VAL 68 3HG1 VAL 68 2.688 10.094 5.640
456 HG21 VAL 68 3HG2 VAL 68 0.223 8.904 4.269
457 HG22 VAL 68 1HG2 VAL 68 1.049 7.986 3.010
458 HG23 VAL 68 2HG2 VAL 68 1.555 9.636 3.372
459 H LEU 69 H LEU 69 3.974 8.179 1.710
460 HA LEU 69 HA LEU 69 5.299 10.751 1.949
461 HB2 LEU 69 2HB LEU 69 4.773 9.000 -0.449
462 HB3 LEU 69 1HB LEU 69 5.691 10.493 -0.482
463 HG LEU 69 HG LEU 69 6.442 7.988 1.027
464 HD11 LEU 69 1HD1 LEU 69 8.281 7.882 -0.588
465 HD12 LEU 69 2HD1 LEU 69 7.596 9.264 -1.445
466 HD13 LEU 69 3HD1 LEU 69 6.705 7.743 -1.364
467 HD21 LEU 69 3HD2 LEU 69 7.915 10.604 0.720
468 HD22 LEU 69 1HD2 LEU 69 8.543 9.149 1.495
469 HD23 LEU 69 2HD2 LEU 69 7.169 10.001 2.200
470 H ASP 70 H ASP 70 2.455 9.351 0.351
471 HA ASP 70 HA ASP 70 0.993 11.784 0.639
472 HB2 ASP 70 2HB ASP 70 2.399 12.406 -1.295
473 HB3 ASP 70 1HB ASP 70 1.805 10.999 -2.171
474 H THR 71 H THR 71 -1.196 11.593 -0.118
475 HA THR 71 HA THR 71 -2.044 8.807 -0.538
476 HB THR 71 HB THR 71 -3.584 10.850 1.065
477 HG1 THR 71 1HG THR 71 -1.865 8.788 2.044
478 HG21 THR 71 3HG2 THR 71 -4.864 8.960 0.164
479 HG22 THR 71 1HG2 THR 71 -4.750 8.884 1.923
480 HG23 THR 71 2HG2 THR 71 -3.736 7.839 0.928
481 H GLU 72 H GLU 72 -3.072 8.595 -2.438
482 HA GLU 72 HA GLU 72 -4.655 10.855 -3.449
483 HB2 GLU 72 2HB GLU 72 -3.756 10.356 -5.751
484 HB3 GLU 72 1HB GLU 72 -2.604 11.077 -4.639
485 HG2 GLU 72 2HG GLU 72 -1.592 8.904 -4.243
486 HG3 GLU 72 1HG GLU 72 -2.778 8.144 -5.302
487 HA PRO 73 HA PRO 73 -7.647 7.530 -3.958
488 HB2 PRO 73 2HB PRO 73 -9.080 9.657 -5.444
489 HB3 PRO 73 1HB PRO 73 -9.626 8.680 -4.077
490 HG2 PRO 73 2HG PRO 73 -9.004 11.258 -3.764
491 HG3 PRO 73 1HG PRO 73 -8.615 10.060 -2.515
492 HD2 PRO 73 2HD PRO 73 -6.819 11.327 -4.551
493 HD3 PRO 73 1HD PRO 73 -6.501 10.952 -2.844
494 H ALA 74 H ALA 74 -7.417 6.033 -5.524
495 HA ALA 74 HA ALA 74 -7.183 6.892 -8.306
496 HB1 ALA 74 1HB ALA 74 -5.157 5.648 -8.691
497 HB2 ALA 74 2HB ALA 74 -5.126 5.122 -7.008
498 HB3 ALA 74 3HB ALA 74 -4.890 6.825 -7.404
499 H ASP 75 H ASP 75 -7.220 5.038 -9.816
500 HA ASP 75 HA ASP 75 -8.734 2.782 -8.691
501 HB2 ASP 75 2HB ASP 75 -10.094 4.210 -10.192
502 HB3 ASP 75 1HB ASP 75 -8.931 3.927 -11.486
503 H GLY 76 H GLY 76 -7.767 0.884 -8.841
504 HA2 GLY 76 2HA GLY 76 -5.480 0.624 -10.669
505 HA3 GLY 76 1HA GLY 76 -5.729 -0.327 -9.212
506 H ASP 77 H ASP 77 -8.484 0.205 -11.186
507 HA ASP 77 HA ASP 77 -8.414 -2.622 -11.970
508 HB2 ASP 77 2HB ASP 77 -10.417 -1.710 -10.742
509 HB3 ASP 77 1HB ASP 77 -10.745 -0.702 -12.151
510 H GLY 78 H GLY 78 -9.161 0.587 -13.299
511 HA2 GLY 78 2HA GLY 78 -7.727 0.831 -15.460
512 HA3 GLY 78 1HA GLY 78 -8.744 -0.496 -16.002
513 H GLY 79 H GLY 79 -8.603 2.891 -15.228
514 HA2 GLY 79 2HA GLY 79 -11.381 3.296 -16.054
515 HA3 GLY 79 1HA GLY 79 -10.286 4.529 -15.444
516 H LEU 80 H LEU 80 -12.024 4.214 -17.950
517 HA LEU 80 HA LEU 80 -9.910 4.582 -19.965
518 HB2 LEU 80 2HB LEU 80 -12.847 3.973 -20.333
519 HB3 LEU 80 1HB LEU 80 -11.697 4.205 -21.636
520 HG LEU 80 HG LEU 80 -11.631 1.978 -19.601
521 HD11 LEU 80 1HD1 LEU 80 -12.186 0.544 -21.492
522 HD12 LEU 80 2HD1 LEU 80 -12.304 1.959 -22.538
523 HD13 LEU 80 3HD1 LEU 80 -13.444 1.748 -21.209
524 HD21 LEU 80 3HD2 LEU 80 -9.387 2.648 -20.313
525 HD22 LEU 80 1HD2 LEU 80 -9.872 2.476 -22.000
526 HD23 LEU 80 2HD2 LEU 80 -9.819 1.060 -20.949
527 H GLU 81 H GLU 81 -9.422 6.613 -20.378
528 HA GLU 81 HA GLU 81 -11.427 8.484 -21.154
529 HB2 GLU 81 2HB GLU 81 -10.668 10.243 -19.460
530 HB3 GLU 81 1HB GLU 81 -11.743 8.982 -18.877
531 HG2 GLU 81 2HG GLU 81 -9.812 7.796 -17.932
532 HG3 GLU 81 1HG GLU 81 -8.759 9.097 -18.486
Start of MODEL 7
1 H1 GLY 1 1HT GLY 1 8.058 4.245 17.219
2 H2 GLY 1 2HT GLY 1 9.243 3.206 16.596
3 H3 GLY 1 3HT GLY 1 8.060 2.606 17.649
4 HA2 GLY 1 1HA GLY 1 6.335 3.078 16.023
5 HA3 GLY 1 2HA GLY 1 7.571 3.686 14.928
6 H ALA 2 H ALA 2 6.266 1.876 13.721
7 HA ALA 2 HA ALA 2 7.948 -0.518 13.838
8 HB1 ALA 2 1HB ALA 2 5.990 -1.993 13.651
9 HB2 ALA 2 2HB ALA 2 4.932 -0.599 13.853
10 HB3 ALA 2 3HB ALA 2 5.997 -1.094 15.167
11 H MET 3 H MET 3 8.782 -0.724 11.880
12 HA MET 3 HA MET 3 7.326 0.262 9.560
13 HB2 MET 3 2HB MET 3 10.165 -0.651 9.975
14 HB3 MET 3 1HB MET 3 9.502 -0.405 8.366
15 HG2 MET 3 2HG MET 3 10.709 1.545 8.982
16 HG3 MET 3 1HG MET 3 8.992 1.940 8.999
17 HE1 MET 3 3HE MET 3 11.098 3.828 10.269
18 HE2 MET 3 1HE MET 3 10.392 4.209 11.841
19 HE3 MET 3 2HE MET 3 9.367 4.146 10.408
20 H ALA 4 H ALA 4 6.718 -1.026 7.847
21 HA ALA 4 HA ALA 4 6.002 -3.700 8.563
22 HB1 ALA 4 1HB ALA 4 5.675 -2.297 5.919
23 HB2 ALA 4 2HB ALA 4 4.523 -2.248 7.254
24 HB3 ALA 4 3HB ALA 4 4.859 -3.774 6.434
25 H PHE 5 H PHE 5 8.318 -4.337 8.853
26 HA PHE 5 HA PHE 5 9.176 -5.639 6.360
27 HB2 PHE 5 2HB PHE 5 10.968 -4.507 8.524
28 HB3 PHE 5 1HB PHE 5 11.526 -5.541 7.213
29 HD1 PHE 5 2HD PHE 5 10.915 -4.692 4.797
30 HD2 PHE 5 1HD PHE 5 11.083 -2.231 8.267
31 HE1 PHE 5 2HE PHE 5 11.227 -2.712 3.374
32 HE2 PHE 5 1HE PHE 5 11.391 -0.247 6.848
33 HZ PHE 5 HZ PHE 5 11.466 -0.485 4.398
34 H ASP 6 H ASP 6 8.657 -7.682 6.570
35 HA ASP 6 HA ASP 6 8.284 -9.758 7.365
36 HB2 ASP 6 2HB ASP 6 10.587 -9.832 8.092
37 HB3 ASP 6 1HB ASP 6 10.196 -8.930 9.556
38 H GLY 7 H GLY 7 6.265 -10.096 7.960
39 HA2 GLY 7 2HA GLY 7 5.459 -9.244 10.661
40 HA3 GLY 7 1HA GLY 7 4.409 -8.934 9.285
41 H GLU 8 H GLU 8 3.623 -10.800 8.079
42 HA GLU 8 HA GLU 8 2.965 -12.979 9.877
43 HB2 GLU 8 2HB GLU 8 1.259 -11.915 8.411
44 HB3 GLU 8 1HB GLU 8 2.130 -12.506 7.006
45 HG2 GLU 8 2HG GLU 8 0.166 -13.870 7.586
46 HG3 GLU 8 1HG GLU 8 1.676 -14.776 7.601
47 H ASP 9 H ASP 9 3.223 -15.231 9.246
48 HA ASP 9 HA ASP 9 5.862 -15.712 8.132
49 HB2 ASP 9 2HB ASP 9 4.795 -16.867 10.195
50 HB3 ASP 9 1HB ASP 9 3.920 -17.839 9.019
51 H GLU 10 H GLU 10 2.756 -15.472 6.992
52 HA GLU 10 HA GLU 10 2.950 -17.403 4.844
53 HB2 GLU 10 2HB GLU 10 0.933 -15.183 5.232
54 HB3 GLU 10 1HB GLU 10 0.771 -16.578 4.178
55 HG2 GLU 10 2HG GLU 10 0.981 -16.758 7.170
56 HG3 GLU 10 1HG GLU 10 -0.545 -16.691 6.290
57 H VAL 11 H VAL 11 4.772 -16.721 3.675
58 HA VAL 11 HA VAL 11 4.964 -13.948 2.854
59 HB VAL 11 HB VAL 11 6.775 -16.221 2.032
60 HG11 VAL 11 1HG1 VAL 11 7.179 -13.230 2.085
61 HG12 VAL 11 2HG1 VAL 11 6.976 -14.232 0.649
62 HG13 VAL 11 3HG1 VAL 11 8.408 -14.420 1.660
63 HG21 VAL 11 3HG2 VAL 11 8.263 -15.475 3.853
64 HG22 VAL 11 1HG2 VAL 11 6.733 -16.117 4.451
65 HG23 VAL 11 2HG2 VAL 11 7.000 -14.373 4.407
66 H THR 12 H THR 12 3.203 -13.672 1.493
67 HA THR 12 HA THR 12 3.037 -15.302 -0.920
68 HB THR 12 HB THR 12 1.017 -13.877 -1.391
69 HG1 THR 12 1HG THR 12 0.574 -12.247 -0.099
70 HG21 THR 12 3HG2 THR 12 1.077 -15.313 1.270
71 HG22 THR 12 1HG2 THR 12 0.771 -16.047 -0.305
72 HG23 THR 12 2HG2 THR 12 -0.382 -14.894 0.369
73 H GLY 13 H GLY 13 4.680 -12.632 0.103
74 HA2 GLY 13 2HA GLY 13 5.813 -11.981 -2.343
75 HA3 GLY 13 1HA GLY 13 4.470 -10.868 -2.098
76 HA PRO 14 HA PRO 14 8.499 -9.972 0.474
77 HB2 PRO 14 2HB PRO 14 9.662 -8.113 -1.187
78 HB3 PRO 14 1HB PRO 14 10.112 -9.820 -1.136
79 HG2 PRO 14 2HG PRO 14 8.315 -8.388 -3.050
80 HG3 PRO 14 1HG PRO 14 9.519 -9.650 -3.372
81 HD2 PRO 14 2HD PRO 14 6.883 -10.189 -3.271
82 HD3 PRO 14 1HD PRO 14 8.101 -11.351 -2.699
83 H ASP 15 H ASP 15 7.049 -7.597 -1.751
84 HA ASP 15 HA ASP 15 6.752 -5.715 0.469
85 HB2 ASP 15 2HB ASP 15 6.275 -4.062 -1.305
86 HB3 ASP 15 1HB ASP 15 7.826 -4.858 -1.542
87 H ALA 16 H ALA 16 4.909 -7.491 -1.926
88 HA ALA 16 HA ALA 16 2.440 -6.314 -1.796
89 HB1 ALA 16 1HB ALA 16 1.514 -8.464 -2.502
90 HB2 ALA 16 2HB ALA 16 3.025 -9.259 -2.053
91 HB3 ALA 16 3HB ALA 16 3.005 -8.082 -3.365
92 H ASP 17 H ASP 17 3.635 -8.913 0.315
93 HA ASP 17 HA ASP 17 1.271 -9.165 1.841
94 HB2 ASP 17 2HB ASP 17 2.682 -11.006 1.993
95 HB3 ASP 17 1HB ASP 17 4.123 -10.019 2.204
96 H ARG 18 H ARG 18 4.270 -7.389 2.418
97 HA ARG 18 HA ARG 18 3.559 -6.738 5.097
98 HB2 ARG 18 2HB ARG 18 5.723 -5.381 3.518
99 HB3 ARG 18 1HB ARG 18 5.667 -5.727 5.246
100 HG2 ARG 18 2HG ARG 18 5.604 -8.198 4.503
101 HG3 ARG 18 1HG ARG 18 6.212 -7.577 2.970
102 HD2 ARG 18 2HD ARG 18 8.100 -6.548 4.158
103 HD3 ARG 18 1HD ARG 18 7.505 -7.223 5.673
104 HE ARG 18 HE ARG 18 9.168 -8.523 3.878
105 HH11 ARG 18 1HH1 ARG 18 6.081 -9.274 5.410
106 HH12 ARG 18 2HH1 ARG 18 6.398 -10.973 5.469
107 HH21 ARG 18 1HH2 ARG 18 9.558 -10.761 3.977
108 HH22 ARG 18 2HH2 ARG 18 8.371 -11.810 4.690
109 H ALA 19 H ALA 19 3.502 -4.992 2.033
110 HA ALA 19 HA ALA 19 2.805 -2.480 3.144
111 HB1 ALA 19 1HB ALA 19 2.245 -3.579 0.388
112 HB2 ALA 19 2HB ALA 19 3.693 -2.700 0.881
113 HB3 ALA 19 3HB ALA 19 2.128 -1.887 0.868
114 H ARG 20 H ARG 20 0.932 -5.188 1.906
115 HA ARG 20 HA ARG 20 -1.629 -4.070 2.157
116 HB2 ARG 20 2HB ARG 20 -1.191 -6.079 0.854
117 HB3 ARG 20 1HB ARG 20 -0.693 -6.942 2.301
118 HG2 ARG 20 2HG ARG 20 -2.987 -6.721 3.178
119 HG3 ARG 20 1HG ARG 20 -3.463 -5.961 1.655
120 HD2 ARG 20 2HD ARG 20 -2.869 -7.946 0.425
121 HD3 ARG 20 1HD ARG 20 -2.224 -8.700 1.880
122 HE ARG 20 HE ARG 20 -5.064 -7.977 1.808
123 HH11 ARG 20 1HH1 ARG 20 -2.556 -10.420 1.833
124 HH12 ARG 20 2HH1 ARG 20 -3.641 -11.730 2.182
125 HH21 ARG 20 1HH2 ARG 20 -6.515 -9.711 2.244
126 HH22 ARG 20 2HH2 ARG 20 -5.889 -11.333 2.385
127 H ALA 21 H ALA 21 0.309 -6.028 4.393
128 HA ALA 21 HA ALA 21 -1.674 -6.169 6.423
129 HB1 ALA 21 1HB ALA 21 0.139 -7.799 6.229
130 HB2 ALA 21 2HB ALA 21 0.101 -7.058 7.829
131 HB3 ALA 21 3HB ALA 21 1.309 -6.547 6.650
132 H ALA 22 H ALA 22 0.618 -3.739 5.550
133 HA ALA 22 HA ALA 22 0.553 -2.449 8.144
134 HB1 ALA 22 1HB ALA 22 1.997 -0.776 7.145
135 HB2 ALA 22 2HB ALA 22 1.739 -1.480 5.548
136 HB3 ALA 22 3HB ALA 22 2.597 -2.397 6.788
137 H ALA 23 H ALA 23 -0.851 -1.993 4.947
138 HA ALA 23 HA ALA 23 -1.814 0.627 5.415
139 HB1 ALA 23 1HB ALA 23 -3.012 0.352 3.327
140 HB2 ALA 23 2HB ALA 23 -2.700 -1.383 3.361
141 HB3 ALA 23 3HB ALA 23 -1.360 -0.250 3.187
142 H VAL 24 H VAL 24 -3.085 -2.494 6.231
143 HA VAL 24 HA VAL 24 -5.826 -1.857 6.267
144 HB VAL 24 HB VAL 24 -4.965 -4.170 6.371
145 HG11 VAL 24 1HG1 VAL 24 -3.131 -3.857 7.924
146 HG12 VAL 24 2HG1 VAL 24 -4.226 -5.115 8.502
147 HG13 VAL 24 3HG1 VAL 24 -4.270 -3.506 9.224
148 HG21 VAL 24 3HG2 VAL 24 -7.269 -3.746 6.957
149 HG22 VAL 24 1HG2 VAL 24 -6.807 -3.396 8.624
150 HG23 VAL 24 2HG2 VAL 24 -6.618 -5.027 7.980
151 H GLN 25 H GLN 25 -3.264 -1.018 8.435
152 HA GLN 25 HA GLN 25 -4.976 -0.351 10.648
153 HB2 GLN 25 2HB GLN 25 -2.071 0.066 10.050
154 HB3 GLN 25 1HB GLN 25 -2.825 0.970 11.352
155 HG2 GLN 25 2HG GLN 25 -1.873 -0.891 12.380
156 HG3 GLN 25 1HG GLN 25 -3.591 -1.262 12.269
157 HE21 GLN 25 1HE2 GLN 25 -1.346 -1.419 9.582
158 HE22 GLN 25 2HE2 GLN 25 -1.402 -3.142 9.397
159 H ALA 26 H ALA 26 -4.198 1.146 7.705
160 HA ALA 26 HA ALA 26 -4.638 3.849 8.736
161 HB1 ALA 26 1HB ALA 26 -3.846 2.927 5.975
162 HB2 ALA 26 2HB ALA 26 -2.749 3.520 7.223
163 HB3 ALA 26 3HB ALA 26 -3.948 4.604 6.515
164 H VAL 27 H VAL 27 -6.367 1.309 7.308
165 HA VAL 27 HA VAL 27 -8.458 3.187 6.439
166 HB VAL 27 HB VAL 27 -7.589 1.946 4.540
167 HG11 VAL 27 1HG1 VAL 27 -7.845 -0.485 4.355
168 HG12 VAL 27 2HG1 VAL 27 -8.388 -0.545 6.033
169 HG13 VAL 27 3HG1 VAL 27 -6.744 -0.031 5.656
170 HG21 VAL 27 3HG2 VAL 27 -10.334 0.980 5.317
171 HG22 VAL 27 1HG2 VAL 27 -9.671 1.010 3.683
172 HG23 VAL 27 2HG2 VAL 27 -9.958 2.521 4.547
173 HA PRO 28 HA PRO 28 -10.690 1.389 9.835
174 HB2 PRO 28 2HB PRO 28 -12.940 3.038 9.069
175 HB3 PRO 28 1HB PRO 28 -11.870 3.208 10.462
176 HG2 PRO 28 2HG PRO 28 -11.932 4.958 8.362
177 HG3 PRO 28 1HG PRO 28 -10.514 4.701 9.392
178 HD2 PRO 28 2HD PRO 28 -11.099 3.634 6.663
179 HD3 PRO 28 1HD PRO 28 -9.560 4.195 7.351
180 H GLY 29 H GLY 29 -11.123 -0.685 9.202
181 HA2 GLY 29 2HA GLY 29 -12.395 -2.462 8.508
182 HA3 GLY 29 1HA GLY 29 -13.762 -1.363 8.576
183 H GLY 30 H GLY 30 -10.925 -1.121 6.493
184 HA2 GLY 30 2HA GLY 30 -12.765 -1.103 4.202
185 HA3 GLY 30 1HA GLY 30 -11.171 -0.363 4.237
186 H THR 31 H THR 31 -11.223 -1.613 2.126
187 HA THR 31 HA THR 31 -10.546 -4.438 2.482
188 HB THR 31 HB THR 31 -10.868 -2.919 -0.110
189 HG1 THR 31 1HG THR 31 -12.895 -4.615 0.761
190 HG21 THR 31 3HG2 THR 31 -11.223 -5.138 -1.076
191 HG22 THR 31 1HG2 THR 31 -11.007 -5.876 0.511
192 HG23 THR 31 2HG2 THR 31 -9.657 -5.054 -0.270
193 H ALA 32 H ALA 32 -8.479 -4.883 2.814
194 HA ALA 32 HA ALA 32 -6.411 -3.179 1.614
195 HB1 ALA 32 1HB ALA 32 -4.869 -4.235 3.196
196 HB2 ALA 32 2HB ALA 32 -6.177 -5.261 3.787
197 HB3 ALA 32 3HB ALA 32 -6.248 -3.516 4.032
198 H GLY 33 H GLY 33 -5.905 -3.847 -0.359
199 HA2 GLY 33 2HA GLY 33 -5.973 -6.726 -0.947
200 HA3 GLY 33 1HA GLY 33 -6.062 -5.436 -2.135
201 H GLU 34 H GLU 34 -4.328 -7.609 -2.395
202 HA GLU 34 HA GLU 34 -1.703 -6.933 -1.511
203 HB2 GLU 34 2HB GLU 34 -0.976 -8.630 -3.220
204 HB3 GLU 34 1HB GLU 34 -2.116 -9.222 -2.022
205 HG2 GLU 34 2HG GLU 34 -3.929 -9.018 -3.629
206 HG3 GLU 34 1HG GLU 34 -2.805 -8.381 -4.828
207 H VAL 35 H VAL 35 -0.023 -5.976 -2.623
208 HA VAL 35 HA VAL 35 -0.824 -4.375 -4.957
209 HB VAL 35 HB VAL 35 0.419 -2.464 -4.038
210 HG11 VAL 35 1HG1 VAL 35 -1.169 -1.851 -2.278
211 HG12 VAL 35 2HG1 VAL 35 -1.697 -3.531 -2.174
212 HG13 VAL 35 3HG1 VAL 35 -1.979 -2.608 -3.650
213 HG21 VAL 35 3HG2 VAL 35 0.711 -4.176 -1.568
214 HG22 VAL 35 1HG2 VAL 35 1.128 -2.466 -1.688
215 HG23 VAL 35 2HG2 VAL 35 2.013 -3.657 -2.639
216 H GLU 36 H GLU 36 0.897 -3.638 -6.296
217 HA GLU 36 HA GLU 36 3.289 -5.332 -6.143
218 HB2 GLU 36 2HB GLU 36 3.591 -4.772 -8.551
219 HB3 GLU 36 1HB GLU 36 2.091 -5.627 -8.223
220 HG2 GLU 36 2HG GLU 36 0.803 -3.661 -8.486
221 HG3 GLU 36 1HG GLU 36 2.239 -2.637 -8.469
222 H THR 37 H THR 37 5.343 -4.361 -6.642
223 HA THR 37 HA THR 37 5.713 -1.835 -5.376
224 HB THR 37 HB THR 37 7.959 -2.814 -6.981
225 HG1 THR 37 1HG THR 37 6.748 -4.523 -5.019
226 HG21 THR 37 3HG2 THR 37 8.145 -1.216 -5.102
227 HG22 THR 37 1HG2 THR 37 9.130 -2.658 -4.857
228 HG23 THR 37 2HG2 THR 37 7.601 -2.478 -3.997
229 H GLU 38 H GLU 38 5.624 0.126 -6.298
230 HA GLU 38 HA GLU 38 5.160 0.409 -9.101
231 HB2 GLU 38 2HB GLU 38 5.745 2.527 -7.027
232 HB3 GLU 38 1HB GLU 38 5.152 2.824 -8.654
233 HG2 GLU 38 2HG GLU 38 3.105 1.554 -8.098
234 HG3 GLU 38 1HG GLU 38 3.699 1.387 -6.446
235 H THR 39 H THR 39 6.634 0.508 -10.640
236 HA THR 39 HA THR 39 9.422 0.731 -10.000
237 HB THR 39 HB THR 39 8.769 -0.761 -11.797
238 HG1 THR 39 1HG THR 39 10.802 0.385 -11.931
239 HG21 THR 39 3HG2 THR 39 6.772 0.395 -12.595
240 HG22 THR 39 1HG2 THR 39 7.888 0.083 -13.925
241 HG23 THR 39 2HG2 THR 39 7.771 1.701 -13.233
242 H GLY 40 H GLY 40 10.647 2.509 -10.022
243 HA2 GLY 40 2HA GLY 40 10.262 4.739 -11.684
244 HA3 GLY 40 1HA GLY 40 9.495 5.062 -10.136
245 H GLU 41 H GLU 41 10.934 6.718 -9.656
246 HA GLU 41 HA GLU 41 13.449 5.823 -8.531
247 HB2 GLU 41 2HB GLU 41 13.787 6.516 -10.999
248 HB3 GLU 41 1HB GLU 41 13.471 8.154 -10.453
249 HG2 GLU 41 2HG GLU 41 15.656 6.413 -9.340
250 HG3 GLU 41 1HG GLU 41 15.881 7.541 -10.672
251 H GLY 42 H GLY 42 13.812 6.886 -6.660
252 HA2 GLY 42 2HA GLY 42 13.937 9.164 -5.658
253 HA3 GLY 42 1HA GLY 42 12.280 9.368 -6.209
254 H ALA 43 H ALA 43 11.130 9.517 -4.394
255 HA ALA 43 HA ALA 43 11.729 7.806 -2.133
256 HB1 ALA 43 1HB ALA 43 10.003 9.107 -0.972
257 HB2 ALA 43 2HB ALA 43 9.639 9.955 -2.475
258 HB3 ALA 43 3HB ALA 43 11.219 10.144 -1.715
259 H ALA 44 H ALA 44 9.391 8.065 -4.711
260 HA ALA 44 HA ALA 44 7.402 6.418 -3.484
261 HB1 ALA 44 1HB ALA 44 6.836 8.056 -5.207
262 HB2 ALA 44 2HB ALA 44 6.313 6.434 -5.656
263 HB3 ALA 44 3HB ALA 44 7.757 7.129 -6.393
264 H ALA 45 H ALA 45 8.007 4.429 -2.909
265 HA ALA 45 HA ALA 45 9.216 2.721 -4.985
266 HB1 ALA 45 1HB ALA 45 10.203 1.387 -3.195
267 HB2 ALA 45 2HB ALA 45 9.471 2.445 -1.990
268 HB3 ALA 45 3HB ALA 45 10.708 3.071 -3.077
269 H TYR 46 H TYR 46 6.876 2.844 -2.321
270 HA TYR 46 HA TYR 46 5.683 0.359 -3.378
271 HB2 TYR 46 2HB TYR 46 5.360 1.445 -0.575
272 HB3 TYR 46 1HB TYR 46 4.843 -0.125 -1.174
273 HD1 TYR 46 1HD TYR 46 6.661 -1.802 -1.848
274 HD2 TYR 46 2HD TYR 46 7.463 1.735 0.378
275 HE1 TYR 46 1HE TYR 46 8.779 -2.780 -1.057
276 HE2 TYR 46 2HE TYR 46 9.580 0.770 1.164
277 HH TYR 46 HH TYR 46 10.488 -1.593 1.520
278 H GLY 47 H GLY 47 3.640 0.447 -4.091
279 HA2 GLY 47 2HA GLY 47 2.024 2.805 -3.344
280 HA3 GLY 47 1HA GLY 47 1.929 2.032 -4.926
281 H VAL 48 H VAL 48 0.489 2.248 -1.959
282 HA VAL 48 HA VAL 48 -0.523 -0.519 -2.053
283 HB VAL 48 HB VAL 48 -0.705 1.310 0.332
284 HG11 VAL 48 1HG1 VAL 48 -0.966 -0.809 1.553
285 HG12 VAL 48 2HG1 VAL 48 -0.844 -1.692 0.032
286 HG13 VAL 48 3HG1 VAL 48 -2.210 -0.614 0.317
287 HG21 VAL 48 3HG2 VAL 48 1.657 1.083 -0.252
288 HG22 VAL 48 1HG2 VAL 48 1.483 -0.672 -0.293
289 HG23 VAL 48 2HG2 VAL 48 1.284 0.198 1.227
290 H LEU 49 H LEU 49 -2.685 -0.897 -2.108
291 HA LEU 49 HA LEU 49 -4.377 1.457 -2.536
292 HB2 LEU 49 2HB LEU 49 -5.911 -0.162 -3.688
293 HB3 LEU 49 1HB LEU 49 -4.363 0.090 -4.469
294 HG LEU 49 HG LEU 49 -3.760 -2.085 -3.012
295 HD11 LEU 49 1HD1 LEU 49 -5.591 -3.670 -3.055
296 HD12 LEU 49 2HD1 LEU 49 -6.674 -2.432 -3.692
297 HD13 LEU 49 3HD1 LEU 49 -6.009 -2.271 -2.066
298 HD21 LEU 49 3HD2 LEU 49 -5.118 -2.065 -5.702
299 HD22 LEU 49 1HD2 LEU 49 -4.159 -3.393 -5.047
300 HD23 LEU 49 2HD2 LEU 49 -3.396 -1.841 -5.390
301 H VAL 50 H VAL 50 -5.869 1.960 -1.092
302 HA VAL 50 HA VAL 50 -6.944 -0.179 0.622
303 HB VAL 50 HB VAL 50 -7.218 1.681 2.402
304 HG11 VAL 50 1HG1 VAL 50 -4.498 0.548 1.765
305 HG12 VAL 50 2HG1 VAL 50 -5.775 -0.262 2.673
306 HG13 VAL 50 3HG1 VAL 50 -5.004 1.183 3.329
307 HG21 VAL 50 3HG2 VAL 50 -4.956 2.833 0.772
308 HG22 VAL 50 1HG2 VAL 50 -5.462 3.390 2.366
309 HG23 VAL 50 2HG2 VAL 50 -6.550 3.559 0.986
310 H THR 51 H THR 51 -9.037 -0.399 0.431
311 HA THR 51 HA THR 51 -10.553 1.780 -0.825
312 HB THR 51 HB THR 51 -11.427 -1.094 -0.524
313 HG1 THR 51 1HG THR 51 -9.352 -0.395 -1.837
314 HG21 THR 51 3HG2 THR 51 -12.868 -0.561 -2.430
315 HG22 THR 51 1HG2 THR 51 -12.236 1.085 -2.455
316 HG23 THR 51 2HG2 THR 51 -13.184 0.525 -1.076
317 H ARG 52 H ARG 52 -11.964 2.895 0.363
318 HA ARG 52 HA ARG 52 -12.725 2.001 3.014
319 HB2 ARG 52 2HB ARG 52 -13.078 4.485 1.414
320 HB3 ARG 52 1HB ARG 52 -14.313 4.139 2.612
321 HG2 ARG 52 2HG ARG 52 -12.719 5.574 3.612
322 HG3 ARG 52 1HG ARG 52 -12.508 3.975 4.322
323 HD2 ARG 52 2HD ARG 52 -10.589 3.570 2.890
324 HD3 ARG 52 1HD ARG 52 -10.822 5.135 2.107
325 HE ARG 52 HE ARG 52 -10.593 5.575 4.855
326 HH11 ARG 52 1HH1 ARG 52 -8.581 4.485 2.198
327 HH12 ARG 52 2HH1 ARG 52 -7.110 5.041 2.925
328 HH21 ARG 52 1HH2 ARG 52 -8.669 6.289 5.814
329 HH22 ARG 52 2HH2 ARG 52 -7.149 6.074 4.985
330 HA PRO 53 HA PRO 53 -16.418 -0.183 2.041
331 HB2 PRO 53 2HB PRO 53 -17.806 1.463 4.090
332 HB3 PRO 53 1HB PRO 53 -17.667 -0.294 3.961
333 HG2 PRO 53 2HG PRO 53 -16.254 1.049 5.774
334 HG3 PRO 53 1HG PRO 53 -15.549 -0.328 4.908
335 HD2 PRO 53 2HD PRO 53 -15.117 2.601 4.492
336 HD3 PRO 53 1HD PRO 53 -13.952 1.265 4.399
337 H ASP 54 H ASP 54 -16.525 3.312 2.152
338 HA ASP 54 HA ASP 54 -19.024 3.723 0.914
339 HB2 ASP 54 2HB ASP 54 -16.525 5.384 1.105
340 HB3 ASP 54 1HB ASP 54 -17.890 5.923 0.136
341 H GLY 55 H GLY 55 -15.938 2.754 -0.338
342 HA2 GLY 55 2HA GLY 55 -15.991 1.640 -2.525
343 HA3 GLY 55 1HA GLY 55 -17.046 2.938 -3.074
344 H THR 56 H THR 56 -15.130 4.685 -1.308
345 HA THR 56 HA THR 56 -13.498 5.532 -3.478
346 HB THR 56 HB THR 56 -14.259 7.206 -1.929
347 HG1 THR 56 1HG THR 56 -12.171 8.111 -1.339
348 HG21 THR 56 3HG2 THR 56 -12.711 5.720 0.190
349 HG22 THR 56 1HG2 THR 56 -14.465 5.865 0.085
350 HG23 THR 56 2HG2 THR 56 -13.478 7.294 0.401
351 H ARG 57 H ARG 57 -11.501 5.011 -3.989
352 HA ARG 57 HA ARG 57 -10.066 3.133 -2.235
353 HB2 ARG 57 2HB ARG 57 -11.115 2.157 -4.293
354 HB3 ARG 57 1HB ARG 57 -10.096 3.208 -5.258
355 HG2 ARG 57 2HG ARG 57 -8.187 1.990 -4.801
356 HG3 ARG 57 1HG ARG 57 -8.865 1.292 -3.321
357 HD2 ARG 57 2HD ARG 57 -10.320 -0.119 -4.542
358 HD3 ARG 57 1HD ARG 57 -10.010 0.740 -6.045
359 HE ARG 57 HE ARG 57 -7.714 -0.225 -5.930
360 HH11 ARG 57 1HH1 ARG 57 -10.271 -1.728 -4.069
361 HH12 ARG 57 2HH1 ARG 57 -9.694 -3.344 -4.324
362 HH21 ARG 57 1HH2 ARG 57 -6.966 -2.372 -6.316
363 HH22 ARG 57 2HH2 ARG 57 -7.806 -3.706 -5.587
364 H VAL 58 H VAL 58 -8.168 3.880 -1.558
365 HA VAL 58 HA VAL 58 -7.067 6.252 -2.910
366 HB VAL 58 HB VAL 58 -6.672 5.350 -0.048
367 HG11 VAL 58 1HG1 VAL 58 -4.786 6.642 -0.886
368 HG12 VAL 58 2HG1 VAL 58 -5.701 7.565 0.306
369 HG13 VAL 58 3HG1 VAL 58 -5.882 7.921 -1.412
370 HG21 VAL 58 3HG2 VAL 58 -8.127 7.211 0.561
371 HG22 VAL 58 1HG2 VAL 58 -8.973 6.047 -0.460
372 HG23 VAL 58 2HG2 VAL 58 -8.396 7.567 -1.145
373 H GLU 59 H GLU 59 -5.005 6.277 -3.634
374 HA GLU 59 HA GLU 59 -3.411 3.847 -3.287
375 HB2 GLU 59 2HB GLU 59 -1.967 4.816 -5.081
376 HB3 GLU 59 1HB GLU 59 -3.626 4.547 -5.589
377 HG2 GLU 59 2HG GLU 59 -4.112 6.911 -5.320
378 HG3 GLU 59 1HG GLU 59 -2.468 7.195 -4.754
379 H VAL 60 H VAL 60 -2.106 3.833 -1.615
380 HA VAL 60 HA VAL 60 -1.084 6.365 -0.546
381 HB VAL 60 HB VAL 60 -0.869 3.613 0.676
382 HG11 VAL 60 1HG1 VAL 60 -0.452 4.854 2.754
383 HG12 VAL 60 2HG1 VAL 60 -0.509 6.367 1.850
384 HG13 VAL 60 3HG1 VAL 60 0.766 5.193 1.525
385 HG21 VAL 60 3HG2 VAL 60 -2.928 5.756 1.194
386 HG22 VAL 60 1HG2 VAL 60 -2.749 4.260 2.112
387 HG23 VAL 60 2HG2 VAL 60 -3.218 4.200 0.412
388 H HIS 61 H HIS 61 0.829 6.992 -1.267
389 HA HIS 61 HA HIS 61 2.695 5.019 -2.306
390 HB2 HIS 61 2HB HIS 61 2.620 8.021 -2.382
391 HB3 HIS 61 1HB HIS 61 4.049 7.119 -2.879
392 HD1 HIS 61 1HD HIS 61 2.878 8.728 -5.065
393 HD2 HIS 61 2HD HIS 61 1.496 4.906 -4.178
394 HE1 HIS 61 1HE HIS 61 1.775 7.898 -7.165
395 HE2 HIS 61 2HE HIS 61 1.216 5.494 -6.674
396 H LEU 62 H LEU 62 4.270 4.217 -1.213
397 HA LEU 62 HA LEU 62 5.056 5.456 1.343
398 HB2 LEU 62 2HB LEU 62 4.428 2.716 0.495
399 HB3 LEU 62 1HB LEU 62 5.885 2.848 1.456
400 HG LEU 62 HG LEU 62 4.747 3.363 3.374
401 HD11 LEU 62 1HD1 LEU 62 2.551 4.470 3.453
402 HD12 LEU 62 2HD1 LEU 62 2.509 4.501 1.690
403 HD13 LEU 62 3HD1 LEU 62 3.729 5.433 2.560
404 HD21 LEU 62 3HD2 LEU 62 2.603 2.009 1.753
405 HD22 LEU 62 1HD2 LEU 62 2.717 2.042 3.513
406 HD23 LEU 62 2HD2 LEU 62 3.943 1.197 2.566
407 H ASP 63 H ASP 63 7.252 5.557 1.858
408 HA ASP 63 HA ASP 63 8.980 5.461 -0.483
409 HB2 ASP 63 2HB ASP 63 10.609 6.721 0.865
410 HB3 ASP 63 1HB ASP 63 9.053 7.526 0.781
411 H ARG 64 H ARG 64 11.442 5.179 0.754
412 HA ARG 64 HA ARG 64 11.672 2.381 0.481
413 HB2 ARG 64 2HB ARG 64 13.796 4.193 1.612
414 HB3 ARG 64 1HB ARG 64 14.008 2.705 0.699
415 HG2 ARG 64 2HG ARG 64 13.120 3.794 -1.297
416 HG3 ARG 64 1HG ARG 64 12.906 5.289 -0.385
417 HD2 ARG 64 2HD ARG 64 15.420 5.096 0.121
418 HD3 ARG 64 1HD ARG 64 15.455 3.928 -1.200
419 HE ARG 64 HE ARG 64 14.349 6.617 -1.647
420 HH11 ARG 64 1HH1 ARG 64 16.785 4.191 -2.341
421 HH12 ARG 64 2HH1 ARG 64 17.448 5.066 -3.688
422 HH21 ARG 64 1HH2 ARG 64 15.223 7.765 -3.399
423 HH22 ARG 64 2HH2 ARG 64 16.585 7.124 -4.270
424 H ASP 65 H ASP 65 11.024 4.335 3.217
425 HA ASP 65 HA ASP 65 11.853 2.158 5.024
426 HB2 ASP 65 2HB ASP 65 11.483 5.110 5.517
427 HB3 ASP 65 1HB ASP 65 11.584 3.944 6.831
428 H PHE 66 H PHE 66 9.290 2.801 3.367
429 HA PHE 66 HA PHE 66 7.080 2.331 3.541
430 HB2 PHE 66 2HB PHE 66 8.239 0.888 5.822
431 HB3 PHE 66 1HB PHE 66 6.530 1.274 6.005
432 HD1 PHE 66 2HD PHE 66 4.907 0.477 4.335
433 HD2 PHE 66 1HD PHE 66 8.967 -0.786 4.312
434 HE1 PHE 66 2HE PHE 66 4.305 -1.412 2.886
435 HE2 PHE 66 1HE PHE 66 8.373 -2.677 2.855
436 HZ PHE 66 HZ PHE 66 6.036 -2.983 2.139
437 H ARG 67 H ARG 67 8.190 4.858 4.406
438 HA ARG 67 HA ARG 67 6.288 5.745 6.429
439 HB2 ARG 67 2HB ARG 67 8.479 6.604 6.726
440 HB3 ARG 67 1HB ARG 67 8.624 7.030 5.031
441 HG2 ARG 67 2HG ARG 67 6.972 8.808 5.339
442 HG3 ARG 67 1HG ARG 67 6.844 8.378 7.049
443 HD2 ARG 67 2HD ARG 67 8.409 10.306 6.438
444 HD3 ARG 67 1HD ARG 67 9.045 9.045 7.499
445 HE ARG 67 HE ARG 67 9.525 8.692 4.649
446 HH11 ARG 67 1HH1 ARG 67 10.790 9.811 7.724
447 HH12 ARG 67 2HH1 ARG 67 12.452 9.661 7.237
448 HH21 ARG 67 1HH2 ARG 67 11.685 8.473 4.025
449 HH22 ARG 67 2HH2 ARG 67 12.960 8.902 5.121
450 H VAL 68 H VAL 68 4.559 7.043 6.000
451 HA VAL 68 HA VAL 68 3.431 6.870 3.421
452 HB VAL 68 HB VAL 68 1.976 6.910 5.328
453 HG11 VAL 68 1HG1 VAL 68 3.314 8.264 6.841
454 HG12 VAL 68 2HG1 VAL 68 1.669 8.891 6.732
455 HG13 VAL 68 3HG1 VAL 68 2.979 9.700 5.873
456 HG21 VAL 68 3HG2 VAL 68 1.644 9.379 3.637
457 HG22 VAL 68 1HG2 VAL 68 0.390 8.690 4.669
458 HG23 VAL 68 2HG2 VAL 68 1.014 7.767 3.301
459 H LEU 69 H LEU 69 3.919 7.993 1.700
460 HA LEU 69 HA LEU 69 5.211 10.593 1.924
461 HB2 LEU 69 2HB LEU 69 4.587 8.860 -0.467
462 HB3 LEU 69 1HB LEU 69 5.430 10.393 -0.548
463 HG LEU 69 HG LEU 69 6.417 7.945 0.913
464 HD11 LEU 69 1HD1 LEU 69 7.277 9.149 -1.714
465 HD12 LEU 69 2HD1 LEU 69 6.388 7.639 -1.507
466 HD13 LEU 69 3HD1 LEU 69 8.039 7.782 -0.901
467 HD21 LEU 69 3HD2 LEU 69 7.735 10.598 0.339
468 HD22 LEU 69 1HD2 LEU 69 8.519 9.201 1.076
469 HD23 LEU 69 2HD2 LEU 69 7.203 10.019 1.918
470 H ASP 70 H ASP 70 2.459 9.224 0.111
471 HA ASP 70 HA ASP 70 0.945 11.665 0.392
472 HB2 ASP 70 2HB ASP 70 2.511 12.266 -1.417
473 HB3 ASP 70 1HB ASP 70 2.012 10.845 -2.324
474 H THR 71 H THR 71 -1.231 11.401 -0.214
475 HA THR 71 HA THR 71 -1.964 8.658 -1.000
476 HB THR 71 HB THR 71 -4.056 9.029 0.423
477 HG1 THR 71 1HG THR 71 -2.821 11.384 0.824
478 HG21 THR 71 3HG2 THR 71 -1.385 8.819 1.817
479 HG22 THR 71 1HG2 THR 71 -2.276 7.487 1.078
480 HG23 THR 71 2HG2 THR 71 -2.938 8.319 2.485
481 H GLU 72 H GLU 72 -2.764 8.771 -2.984
482 HA GLU 72 HA GLU 72 -4.399 11.098 -3.749
483 HB2 GLU 72 2HB GLU 72 -2.677 9.202 -5.320
484 HB3 GLU 72 1HB GLU 72 -3.945 10.124 -6.111
485 HG2 GLU 72 2HG GLU 72 -1.786 11.402 -4.466
486 HG3 GLU 72 1HG GLU 72 -1.630 11.101 -6.197
487 HA PRO 73 HA PRO 73 -7.893 8.364 -4.319
488 HB2 PRO 73 2HB PRO 73 -8.864 10.030 -6.494
489 HB3 PRO 73 1HB PRO 73 -9.517 9.847 -4.866
490 HG2 PRO 73 2HG PRO 73 -8.333 12.135 -5.746
491 HG3 PRO 73 1HG PRO 73 -8.336 11.630 -4.047
492 HD2 PRO 73 2HD PRO 73 -6.165 11.391 -6.095
493 HD3 PRO 73 1HD PRO 73 -6.052 11.817 -4.373
494 H ALA 74 H ALA 74 -7.778 6.479 -5.370
495 HA ALA 74 HA ALA 74 -6.359 6.300 -7.884
496 HB1 ALA 74 1HB ALA 74 -6.003 4.616 -6.140
497 HB2 ALA 74 2HB ALA 74 -6.615 3.891 -7.627
498 HB3 ALA 74 3HB ALA 74 -7.696 4.140 -6.256
499 H ASP 75 H ASP 75 -7.264 5.261 -9.769
500 HA ASP 75 HA ASP 75 -9.993 6.153 -10.225
501 HB2 ASP 75 2HB ASP 75 -8.277 6.624 -11.924
502 HB3 ASP 75 1HB ASP 75 -8.007 4.895 -12.132
503 H GLY 76 H GLY 76 -11.740 4.869 -10.602
504 HA2 GLY 76 2HA GLY 76 -11.367 2.084 -9.747
505 HA3 GLY 76 1HA GLY 76 -12.870 2.990 -9.669
506 H ASP 77 H ASP 77 -11.519 3.625 -12.620
507 HA ASP 77 HA ASP 77 -13.268 1.643 -13.886
508 HB2 ASP 77 2HB ASP 77 -13.659 3.973 -14.520
509 HB3 ASP 77 1HB ASP 77 -11.980 4.132 -15.032
510 H GLY 78 H GLY 78 -10.055 3.090 -14.370
511 HA2 GLY 78 2HA GLY 78 -8.144 1.550 -14.600
512 HA3 GLY 78 1HA GLY 78 -9.196 0.512 -15.554
513 H GLY 79 H GLY 79 -10.426 2.783 -16.943
514 HA2 GLY 79 2HA GLY 79 -8.371 3.098 -18.979
515 HA3 GLY 79 1HA GLY 79 -10.067 3.534 -19.129
516 H LEU 80 H LEU 80 -7.059 4.482 -17.529
517 HA LEU 80 HA LEU 80 -7.944 7.073 -16.807
518 HB2 LEU 80 2HB LEU 80 -5.221 5.826 -17.068
519 HB3 LEU 80 1HB LEU 80 -5.424 7.514 -16.634
520 HG LEU 80 HG LEU 80 -6.548 5.186 -15.070
521 HD11 LEU 80 1HD1 LEU 80 -4.160 6.950 -14.527
522 HD12 LEU 80 2HD1 LEU 80 -4.114 5.239 -14.951
523 HD13 LEU 80 3HD1 LEU 80 -4.823 5.748 -13.419
524 HD21 LEU 80 3HD2 LEU 80 -6.431 8.141 -14.481
525 HD22 LEU 80 1HD2 LEU 80 -6.990 6.896 -13.365
526 HD23 LEU 80 2HD2 LEU 80 -7.879 7.207 -14.856
527 H GLU 81 H GLU 81 -7.928 8.943 -17.863
528 HA GLU 81 HA GLU 81 -6.961 8.943 -20.626
529 HB2 GLU 81 2HB GLU 81 -8.415 11.054 -20.768
530 HB3 GLU 81 1HB GLU 81 -9.235 9.505 -20.656
531 HG2 GLU 81 2HG GLU 81 -9.722 9.855 -18.341
532 HG3 GLU 81 1HG GLU 81 -8.724 11.307 -18.304
Start of MODEL 8
1 H1 GLY 1 1HT GLY 1 12.209 3.475 16.867
2 H2 GLY 1 2HT GLY 1 12.147 1.919 16.192
3 H3 GLY 1 3HT GLY 1 10.828 2.514 17.063
4 HA2 GLY 1 1HA GLY 1 10.529 4.268 15.391
5 HA3 GLY 1 2HA GLY 1 11.823 3.523 14.463
6 H ALA 2 H ALA 2 9.938 3.531 12.887
7 HA ALA 2 HA ALA 2 8.519 0.975 13.181
8 HB1 ALA 2 1HB ALA 2 6.932 2.752 13.645
9 HB2 ALA 2 2HB ALA 2 6.537 1.945 12.128
10 HB3 ALA 2 3HB ALA 2 7.323 3.523 12.109
11 H MET 3 H MET 3 10.139 0.041 11.879
12 HA MET 3 HA MET 3 9.945 0.770 9.039
13 HB2 MET 3 2HB MET 3 11.970 -1.007 10.425
14 HB3 MET 3 1HB MET 3 11.932 -0.671 8.701
15 HG2 MET 3 2HG MET 3 13.595 0.724 9.526
16 HG3 MET 3 1HG MET 3 12.197 1.778 9.343
17 HE1 MET 3 3HE MET 3 13.983 3.261 12.494
18 HE2 MET 3 1HE MET 3 13.377 3.587 10.869
19 HE3 MET 3 2HE MET 3 14.777 2.538 11.097
20 H ALA 4 H ALA 4 8.060 -0.216 8.456
21 HA ALA 4 HA ALA 4 7.361 -2.790 9.491
22 HB1 ALA 4 1HB ALA 4 6.036 -1.227 7.283
23 HB2 ALA 4 2HB ALA 4 5.668 -1.082 9.001
24 HB3 ALA 4 3HB ALA 4 5.356 -2.598 8.158
25 H PHE 5 H PHE 5 9.395 -3.807 8.697
26 HA PHE 5 HA PHE 5 8.926 -4.878 5.988
27 HB2 PHE 5 2HB PHE 5 11.486 -4.674 7.593
28 HB3 PHE 5 1HB PHE 5 11.343 -5.619 6.115
29 HD1 PHE 5 2HD PHE 5 11.062 -4.527 3.961
30 HD2 PHE 5 1HD PHE 5 11.551 -2.271 7.535
31 HE1 PHE 5 2HE PHE 5 11.564 -2.528 2.623
32 HE2 PHE 5 1HE PHE 5 12.052 -0.262 6.201
33 HZ PHE 5 HZ PHE 5 12.060 -0.390 3.743
34 H ASP 6 H ASP 6 7.288 -5.820 7.680
35 HA ASP 6 HA ASP 6 7.526 -8.566 7.732
36 HB2 ASP 6 2HB ASP 6 9.283 -8.167 9.479
37 HB3 ASP 6 1HB ASP 6 8.069 -7.367 10.471
38 H GLY 7 H GLY 7 5.394 -8.683 7.238
39 HA2 GLY 7 2HA GLY 7 3.537 -6.815 8.464
40 HA3 GLY 7 1HA GLY 7 3.198 -7.926 7.147
41 H GLU 8 H GLU 8 2.974 -10.231 7.703
42 HA GLU 8 HA GLU 8 2.396 -10.849 10.459
43 HB2 GLU 8 2HB GLU 8 0.358 -9.600 9.372
44 HB3 GLU 8 1HB GLU 8 0.050 -11.167 8.631
45 HG2 GLU 8 2HG GLU 8 -0.278 -12.208 10.701
46 HG3 GLU 8 1HG GLU 8 0.456 -10.871 11.584
47 H ASP 9 H ASP 9 0.744 -13.070 9.992
48 HA ASP 9 HA ASP 9 2.782 -14.968 9.552
49 HB2 ASP 9 2HB ASP 9 -0.200 -15.379 9.797
50 HB3 ASP 9 1HB ASP 9 1.016 -16.646 9.917
51 H GLU 10 H GLU 10 0.972 -13.359 7.239
52 HA GLU 10 HA GLU 10 1.108 -15.658 5.416
53 HB2 GLU 10 2HB GLU 10 -0.584 -13.165 5.197
54 HB3 GLU 10 1HB GLU 10 -0.508 -14.441 3.989
55 HG2 GLU 10 2HG GLU 10 -1.262 -16.017 5.824
56 HG3 GLU 10 1HG GLU 10 -1.622 -14.572 6.769
57 H VAL 11 H VAL 11 3.341 -15.348 5.040
58 HA VAL 11 HA VAL 11 4.079 -12.917 3.605
59 HB VAL 11 HB VAL 11 5.811 -15.306 4.284
60 HG11 VAL 11 1HG1 VAL 11 6.546 -12.525 3.364
61 HG12 VAL 11 2HG1 VAL 11 6.658 -13.997 2.399
62 HG13 VAL 11 3HG1 VAL 11 7.684 -13.793 3.820
63 HG21 VAL 11 3HG2 VAL 11 6.710 -13.925 6.093
64 HG22 VAL 11 1HG2 VAL 11 4.985 -14.218 6.308
65 HG23 VAL 11 2HG2 VAL 11 5.546 -12.658 5.706
66 H THR 12 H THR 12 2.847 -13.170 1.759
67 HA THR 12 HA THR 12 3.612 -15.409 0.016
68 HB THR 12 HB THR 12 1.240 -15.476 0.578
69 HG1 THR 12 1HG THR 12 1.224 -16.215 -1.401
70 HG21 THR 12 3HG2 THR 12 1.059 -12.726 -0.654
71 HG22 THR 12 1HG2 THR 12 0.865 -13.109 1.056
72 HG23 THR 12 2HG2 THR 12 -0.302 -13.712 -0.119
73 H GLY 13 H GLY 13 4.586 -14.951 -1.868
74 HA2 GLY 13 2HA GLY 13 5.389 -13.702 -3.642
75 HA3 GLY 13 1HA GLY 13 4.296 -12.407 -3.169
76 HA PRO 14 HA PRO 14 8.468 -10.810 -2.089
77 HB2 PRO 14 2HB PRO 14 7.960 -8.268 -2.849
78 HB3 PRO 14 1HB PRO 14 8.452 -9.516 -4.000
79 HG2 PRO 14 2HG PRO 14 5.709 -8.472 -3.398
80 HG3 PRO 14 1HG PRO 14 6.455 -8.813 -4.971
81 HD2 PRO 14 2HD PRO 14 4.731 -10.521 -3.758
82 HD3 PRO 14 1HD PRO 14 6.049 -11.073 -4.814
83 H ASP 15 H ASP 15 8.036 -7.930 -1.398
84 HA ASP 15 HA ASP 15 7.428 -8.323 1.363
85 HB2 ASP 15 2HB ASP 15 8.306 -5.977 -0.270
86 HB3 ASP 15 1HB ASP 15 7.711 -5.727 1.370
87 H ALA 16 H ALA 16 5.295 -8.358 -0.933
88 HA ALA 16 HA ALA 16 3.349 -6.457 -0.535
89 HB1 ALA 16 1HB ALA 16 1.737 -8.126 -1.263
90 HB2 ALA 16 2HB ALA 16 2.897 -9.412 -0.932
91 HB3 ALA 16 3HB ALA 16 3.219 -8.242 -2.211
92 H ASP 17 H ASP 17 4.187 -9.184 1.479
93 HA ASP 17 HA ASP 17 2.056 -9.319 3.242
94 HB2 ASP 17 2HB ASP 17 3.576 -11.029 3.526
95 HB3 ASP 17 1HB ASP 17 4.965 -9.961 3.378
96 H ARG 18 H ARG 18 4.801 -7.096 3.264
97 HA ARG 18 HA ARG 18 4.533 -6.311 5.967
98 HB2 ARG 18 2HB ARG 18 5.686 -4.400 4.002
99 HB3 ARG 18 1HB ARG 18 6.254 -4.837 5.603
100 HG2 ARG 18 2HG ARG 18 6.570 -6.426 3.069
101 HG3 ARG 18 1HG ARG 18 7.829 -5.586 3.970
102 HD2 ARG 18 2HD ARG 18 7.280 -7.118 5.906
103 HD3 ARG 18 1HD ARG 18 6.300 -8.048 4.772
104 HE ARG 18 HE ARG 18 8.946 -7.614 3.785
105 HH11 ARG 18 1HH1 ARG 18 6.939 -9.700 5.777
106 HH12 ARG 18 2HH1 ARG 18 8.146 -10.952 5.894
107 HH21 ARG 18 1HH2 ARG 18 10.476 -9.271 3.865
108 HH22 ARG 18 2HH2 ARG 18 10.169 -10.718 4.781
109 H ALA 19 H ALA 19 3.686 -4.598 2.977
110 HA ALA 19 HA ALA 19 2.553 -2.392 4.386
111 HB1 ALA 19 1HB ALA 19 2.379 -3.105 1.464
112 HB2 ALA 19 2HB ALA 19 3.634 -2.121 2.216
113 HB3 ALA 19 3HB ALA 19 1.968 -1.546 2.178
114 H ARG 20 H ARG 20 1.272 -5.376 3.111
115 HA ARG 20 HA ARG 20 -1.415 -4.533 2.802
116 HB2 ARG 20 2HB ARG 20 -0.379 -6.609 1.823
117 HB3 ARG 20 1HB ARG 20 -0.485 -7.335 3.423
118 HG2 ARG 20 2HG ARG 20 -2.958 -6.865 3.349
119 HG3 ARG 20 1HG ARG 20 -2.741 -6.437 1.651
120 HD2 ARG 20 2HD ARG 20 -3.417 -8.675 1.633
121 HD3 ARG 20 1HD ARG 20 -1.673 -8.727 1.381
122 HE ARG 20 HE ARG 20 -1.975 -8.970 4.081
123 HH11 ARG 20 1HH1 ARG 20 -3.065 -10.724 1.266
124 HH12 ARG 20 2HH1 ARG 20 -3.311 -12.221 2.126
125 HH21 ARG 20 1HH2 ARG 20 -2.286 -10.937 5.231
126 HH22 ARG 20 2HH2 ARG 20 -2.881 -12.339 4.396
127 H ALA 21 H ALA 21 0.412 -5.814 5.519
128 HA ALA 21 HA ALA 21 -1.793 -6.303 7.224
129 HB1 ALA 21 1HB ALA 21 1.068 -5.691 7.957
130 HB2 ALA 21 2HB ALA 21 0.407 -7.289 7.615
131 HB3 ALA 21 3HB ALA 21 -0.149 -6.388 9.023
132 H ALA 22 H ALA 22 0.239 -3.485 6.669
133 HA ALA 22 HA ALA 22 -0.816 -1.956 8.829
134 HB1 ALA 22 1HB ALA 22 1.414 -1.573 7.833
135 HB2 ALA 22 2HB ALA 22 0.428 -0.114 7.909
136 HB3 ALA 22 3HB ALA 22 0.627 -0.966 6.377
137 H ALA 23 H ALA 23 -1.735 -2.474 5.520
138 HA ALA 23 HA ALA 23 -3.263 -0.168 5.062
139 HB1 ALA 23 1HB ALA 23 -3.693 -2.915 3.903
140 HB2 ALA 23 2HB ALA 23 -2.531 -1.730 3.305
141 HB3 ALA 23 3HB ALA 23 -4.260 -1.387 3.228
142 H VAL 24 H VAL 24 -3.981 -3.073 6.833
143 HA VAL 24 HA VAL 24 -6.779 -3.021 6.802
144 HB VAL 24 HB VAL 24 -4.984 -3.932 9.058
145 HG11 VAL 24 1HG1 VAL 24 -7.837 -4.674 8.406
146 HG12 VAL 24 2HG1 VAL 24 -7.311 -3.672 9.758
147 HG13 VAL 24 3HG1 VAL 24 -6.858 -5.375 9.694
148 HG21 VAL 24 3HG2 VAL 24 -4.415 -5.007 6.939
149 HG22 VAL 24 1HG2 VAL 24 -6.100 -5.480 6.722
150 HG23 VAL 24 2HG2 VAL 24 -5.160 -6.152 8.054
151 H GLN 25 H GLN 25 -4.470 -1.288 8.823
152 HA GLN 25 HA GLN 25 -6.524 -0.204 10.531
153 HB2 GLN 25 2HB GLN 25 -3.549 0.242 10.350
154 HB3 GLN 25 1HB GLN 25 -4.570 1.201 11.415
155 HG2 GLN 25 2HG GLN 25 -3.669 -0.508 12.741
156 HG3 GLN 25 1HG GLN 25 -5.341 -0.967 12.436
157 HE21 GLN 25 1HE2 GLN 25 -2.711 -1.279 10.130
158 HE22 GLN 25 2HE2 GLN 25 -2.680 -3.011 10.111
159 H ALA 26 H ALA 26 -5.339 0.558 7.487
160 HA ALA 26 HA ALA 26 -5.681 3.429 7.739
161 HB1 ALA 26 1HB ALA 26 -5.025 1.756 5.316
162 HB2 ALA 26 2HB ALA 26 -3.854 2.554 6.368
163 HB3 ALA 26 3HB ALA 26 -4.977 3.517 5.406
164 H VAL 27 H VAL 27 -7.723 0.833 7.273
165 HA VAL 27 HA VAL 27 -9.769 2.609 6.214
166 HB VAL 27 HB VAL 27 -8.915 1.520 4.216
167 HG11 VAL 27 1HG1 VAL 27 -9.110 -0.909 3.896
168 HG12 VAL 27 2HG1 VAL 27 -9.579 -1.083 5.588
169 HG13 VAL 27 3HG1 VAL 27 -7.970 -0.491 5.175
170 HG21 VAL 27 3HG2 VAL 27 -11.283 2.032 4.312
171 HG22 VAL 27 1HG2 VAL 27 -11.615 0.465 5.046
172 HG23 VAL 27 2HG2 VAL 27 -11.017 0.553 3.389
173 HA PRO 28 HA PRO 28 -11.968 0.412 9.425
174 HB2 PRO 28 2HB PRO 28 -14.250 1.864 9.272
175 HB3 PRO 28 1HB PRO 28 -12.792 2.461 10.071
176 HG2 PRO 28 2HG PRO 28 -13.866 3.096 7.358
177 HG3 PRO 28 1HG PRO 28 -13.086 4.166 8.536
178 HD2 PRO 28 2HD PRO 28 -11.813 3.100 6.352
179 HD3 PRO 28 1HD PRO 28 -10.986 3.598 7.839
180 H GLY 29 H GLY 29 -12.402 -1.601 8.657
181 HA2 GLY 29 2HA GLY 29 -13.733 -3.300 7.861
182 HA3 GLY 29 1HA GLY 29 -15.012 -2.112 7.650
183 H GLY 30 H GLY 30 -11.809 -2.152 6.148
184 HA2 GLY 30 2HA GLY 30 -13.167 -2.046 3.546
185 HA3 GLY 30 1HA GLY 30 -11.541 -1.468 3.870
186 H THR 31 H THR 31 -10.601 -2.629 2.219
187 HA THR 31 HA THR 31 -10.330 -5.501 2.749
188 HB THR 31 HB THR 31 -10.796 -4.313 0.002
189 HG1 THR 31 1HG THR 31 -12.469 -5.440 1.918
190 HG21 THR 31 3HG2 THR 31 -9.288 -6.252 -0.022
191 HG22 THR 31 1HG2 THR 31 -10.843 -6.635 -0.762
192 HG23 THR 31 2HG2 THR 31 -10.482 -7.189 0.873
193 H ALA 32 H ALA 32 -8.274 -6.181 2.687
194 HA ALA 32 HA ALA 32 -6.246 -4.288 1.698
195 HB1 ALA 32 1HB ALA 32 -6.064 -4.824 4.068
196 HB2 ALA 32 2HB ALA 32 -4.675 -5.450 3.178
197 HB3 ALA 32 3HB ALA 32 -5.965 -6.543 3.684
198 H GLY 33 H GLY 33 -5.297 -4.769 -0.160
199 HA2 GLY 33 2HA GLY 33 -5.286 -7.586 -1.041
200 HA3 GLY 33 1HA GLY 33 -5.251 -6.195 -2.120
201 H GLU 34 H GLU 34 -3.397 -8.307 -2.270
202 HA GLU 34 HA GLU 34 -0.974 -7.770 -0.943
203 HB2 GLU 34 2HB GLU 34 -1.626 -9.207 -3.504
204 HB3 GLU 34 1HB GLU 34 0.038 -8.980 -2.990
205 HG2 GLU 34 2HG GLU 34 -0.659 -11.143 -2.300
206 HG3 GLU 34 1HG GLU 34 -0.522 -10.135 -0.863
207 H VAL 35 H VAL 35 0.560 -6.298 -1.254
208 HA VAL 35 HA VAL 35 0.015 -4.230 -3.218
209 HB VAL 35 HB VAL 35 1.588 -2.845 -2.004
210 HG11 VAL 35 1HG1 VAL 35 -0.268 -4.339 -0.156
211 HG12 VAL 35 2HG1 VAL 35 -0.669 -2.932 -1.140
212 HG13 VAL 35 3HG1 VAL 35 0.476 -2.779 0.192
213 HG21 VAL 35 3HG2 VAL 35 2.746 -3.651 -0.000
214 HG22 VAL 35 1HG2 VAL 35 3.263 -4.522 -1.444
215 HG23 VAL 35 2HG2 VAL 35 2.145 -5.279 -0.309
216 H GLU 36 H GLU 36 1.735 -3.312 -4.512
217 HA GLU 36 HA GLU 36 3.552 -5.440 -5.426
218 HB2 GLU 36 2HB GLU 36 3.353 -4.463 -7.660
219 HB3 GLU 36 1HB GLU 36 1.773 -4.900 -7.027
220 HG2 GLU 36 2HG GLU 36 1.384 -2.556 -6.417
221 HG3 GLU 36 1HG GLU 36 2.954 -2.131 -7.093
222 H THR 37 H THR 37 5.633 -4.866 -6.128
223 HA THR 37 HA THR 37 6.719 -2.401 -5.059
224 HB THR 37 HB THR 37 8.198 -4.386 -6.790
225 HG1 THR 37 1HG THR 37 7.663 -5.750 -5.229
226 HG21 THR 37 3HG2 THR 37 9.078 -2.509 -4.592
227 HG22 THR 37 1HG2 THR 37 9.349 -2.285 -6.319
228 HG23 THR 37 2HG2 THR 37 10.130 -3.619 -5.468
229 H GLU 38 H GLU 38 6.640 -0.569 -6.210
230 HA GLU 38 HA GLU 38 5.645 -0.655 -8.894
231 HB2 GLU 38 2HB GLU 38 6.543 1.701 -7.235
232 HB3 GLU 38 1HB GLU 38 5.711 1.805 -8.779
233 HG2 GLU 38 2HG GLU 38 3.882 0.401 -7.624
234 HG3 GLU 38 1HG GLU 38 4.664 0.920 -6.129
235 H THR 39 H THR 39 6.726 -0.610 -10.722
236 HA THR 39 HA THR 39 9.572 -0.028 -10.753
237 HB THR 39 HB THR 39 9.295 -0.510 -13.242
238 HG1 THR 39 1HG THR 39 7.078 -0.195 -13.489
239 HG21 THR 39 3HG2 THR 39 10.140 -2.187 -11.679
240 HG22 THR 39 1HG2 THR 39 9.125 -2.934 -12.915
241 HG23 THR 39 2HG2 THR 39 8.487 -2.668 -11.293
242 H GLY 40 H GLY 40 10.273 2.021 -11.029
243 HA2 GLY 40 2HA GLY 40 9.087 3.808 -12.896
244 HA3 GLY 40 1HA GLY 40 8.563 4.190 -11.266
245 H GLU 41 H GLU 41 9.672 5.776 -10.394
246 HA GLU 41 HA GLU 41 12.538 6.027 -10.828
247 HB2 GLU 41 2HB GLU 41 11.567 7.175 -12.750
248 HB3 GLU 41 1HB GLU 41 10.522 8.113 -11.696
249 HG2 GLU 41 2HG GLU 41 12.343 9.471 -12.467
250 HG3 GLU 41 1HG GLU 41 12.502 9.199 -10.733
251 H GLY 42 H GLY 42 13.523 7.601 -9.404
252 HA2 GLY 42 2HA GLY 42 13.626 9.051 -7.602
253 HA3 GLY 42 1HA GLY 42 11.875 9.014 -7.505
254 H ALA 43 H ALA 43 11.053 8.084 -5.775
255 HA ALA 43 HA ALA 43 12.658 6.067 -4.360
256 HB1 ALA 43 1HB ALA 43 11.147 8.349 -3.092
257 HB2 ALA 43 2HB ALA 43 12.902 8.205 -3.218
258 HB3 ALA 43 3HB ALA 43 11.992 7.064 -2.227
259 H ALA 44 H ALA 44 10.019 6.356 -6.091
260 HA ALA 44 HA ALA 44 7.956 5.358 -4.392
261 HB1 ALA 44 1HB ALA 44 6.740 4.916 -6.468
262 HB2 ALA 44 2HB ALA 44 8.204 5.220 -7.400
263 HB3 ALA 44 3HB ALA 44 7.452 6.529 -6.487
264 H ALA 45 H ALA 45 8.188 3.477 -3.387
265 HA ALA 45 HA ALA 45 9.458 1.265 -4.853
266 HB1 ALA 45 1HB ALA 45 9.363 1.710 -1.874
267 HB2 ALA 45 2HB ALA 45 10.748 2.021 -2.921
268 HB3 ALA 45 3HB ALA 45 10.161 0.372 -2.702
269 H TYR 46 H TYR 46 7.009 1.905 -2.334
270 HA TYR 46 HA TYR 46 5.741 -0.636 -3.123
271 HB2 TYR 46 2HB TYR 46 5.753 0.714 -0.418
272 HB3 TYR 46 1HB TYR 46 4.854 -0.747 -0.810
273 HD1 TYR 46 1HD TYR 46 6.193 -2.790 -1.569
274 HD2 TYR 46 2HD TYR 46 7.969 0.585 0.318
275 HE1 TYR 46 1HE TYR 46 8.142 -4.160 -0.964
276 HE2 TYR 46 2HE TYR 46 9.923 -0.777 0.927
277 HH TYR 46 HH TYR 46 10.430 -3.198 1.296
278 H GLY 47 H GLY 47 3.699 -0.599 -3.798
279 HA2 GLY 47 2HA GLY 47 2.147 1.874 -3.342
280 HA3 GLY 47 1HA GLY 47 1.916 0.790 -4.710
281 H VAL 48 H VAL 48 0.744 1.666 -1.735
282 HA VAL 48 HA VAL 48 -0.238 -0.994 -1.020
283 HB VAL 48 HB VAL 48 -0.610 1.602 0.482
284 HG11 VAL 48 1HG1 VAL 48 -0.891 -1.263 1.375
285 HG12 VAL 48 2HG1 VAL 48 -2.215 -0.141 1.064
286 HG13 VAL 48 3HG1 VAL 48 -1.093 0.166 2.391
287 HG21 VAL 48 3HG2 VAL 48 1.757 1.143 0.269
288 HG22 VAL 48 1HG2 VAL 48 1.511 -0.510 0.825
289 HG23 VAL 48 2HG2 VAL 48 1.234 0.839 1.924
290 H LEU 49 H LEU 49 -2.060 -1.597 -2.009
291 HA LEU 49 HA LEU 49 -3.965 0.399 -2.890
292 HB2 LEU 49 2HB LEU 49 -5.210 -1.612 -3.799
293 HB3 LEU 49 1HB LEU 49 -3.644 -1.271 -4.504
294 HG LEU 49 HG LEU 49 -3.831 -3.273 -2.287
295 HD11 LEU 49 1HD1 LEU 49 -5.605 -3.917 -3.826
296 HD12 LEU 49 2HD1 LEU 49 -4.245 -5.033 -3.940
297 HD13 LEU 49 3HD1 LEU 49 -4.484 -3.805 -5.184
298 HD21 LEU 49 3HD2 LEU 49 -1.636 -2.597 -3.101
299 HD22 LEU 49 1HD2 LEU 49 -2.105 -3.011 -4.750
300 HD23 LEU 49 2HD2 LEU 49 -1.968 -4.276 -3.528
301 H VAL 50 H VAL 50 -5.139 1.223 -1.302
302 HA VAL 50 HA VAL 50 -6.305 -0.556 0.710
303 HB VAL 50 HB VAL 50 -6.327 2.466 0.559
304 HG11 VAL 50 1HG1 VAL 50 -7.093 2.368 2.884
305 HG12 VAL 50 2HG1 VAL 50 -7.162 0.610 2.782
306 HG13 VAL 50 3HG1 VAL 50 -8.235 1.593 1.789
307 HG21 VAL 50 3HG2 VAL 50 -4.703 2.334 2.422
308 HG22 VAL 50 1HG2 VAL 50 -4.080 1.664 0.913
309 HG23 VAL 50 2HG2 VAL 50 -4.632 0.587 2.196
310 H THR 51 H THR 51 -8.168 -1.451 0.125
311 HA THR 51 HA THR 51 -9.950 -0.053 -1.707
312 HB THR 51 HB THR 51 -10.307 -2.807 -0.514
313 HG1 THR 51 1HG THR 51 -8.383 -2.002 -2.125
314 HG21 THR 51 3HG2 THR 51 -11.683 -3.184 -2.518
315 HG22 THR 51 1HG2 THR 51 -11.404 -1.515 -3.017
316 HG23 THR 51 2HG2 THR 51 -12.310 -1.854 -1.543
317 H ARG 52 H ARG 52 -11.453 1.256 -0.917
318 HA ARG 52 HA ARG 52 -12.431 0.837 1.814
319 HB2 ARG 52 2HB ARG 52 -12.880 3.156 -0.075
320 HB3 ARG 52 1HB ARG 52 -13.432 3.074 1.589
321 HG2 ARG 52 2HG ARG 52 -11.083 2.998 2.336
322 HG3 ARG 52 1HG ARG 52 -10.570 3.167 0.653
323 HD2 ARG 52 2HD ARG 52 -11.789 5.287 0.506
324 HD3 ARG 52 1HD ARG 52 -12.271 5.124 2.192
325 HE ARG 52 HE ARG 52 -9.435 5.043 1.880
326 HH11 ARG 52 1HH1 ARG 52 -12.203 7.182 2.019
327 HH12 ARG 52 2HH1 ARG 52 -11.283 8.550 2.572
328 HH21 ARG 52 1HH2 ARG 52 -8.205 6.871 2.558
329 HH22 ARG 52 2HH2 ARG 52 -9.007 8.384 2.843
330 HA PRO 53 HA PRO 53 -16.211 -0.980 0.269
331 HB2 PRO 53 2HB PRO 53 -17.749 -0.535 2.484
332 HB3 PRO 53 1HB PRO 53 -16.562 -1.838 2.372
333 HG2 PRO 53 2HG PRO 53 -16.301 0.854 3.656
334 HG3 PRO 53 1HG PRO 53 -15.772 -0.728 4.258
335 HD2 PRO 53 2HD PRO 53 -14.052 1.008 3.137
336 HD3 PRO 53 1HD PRO 53 -13.886 -0.747 2.919
337 H ASP 54 H ASP 54 -15.693 2.231 1.144
338 HA ASP 54 HA ASP 54 -18.192 3.420 0.650
339 HB2 ASP 54 2HB ASP 54 -16.454 4.683 1.722
340 HB3 ASP 54 1HB ASP 54 -15.363 4.444 0.364
341 H GLY 55 H GLY 55 -15.745 2.132 -1.457
342 HA2 GLY 55 2HA GLY 55 -16.491 1.436 -3.670
343 HA3 GLY 55 1HA GLY 55 -17.406 2.934 -3.761
344 H THR 56 H THR 56 -14.119 2.668 -2.563
345 HA THR 56 HA THR 56 -13.084 3.840 -5.010
346 HB THR 56 HB THR 56 -13.783 5.798 -3.744
347 HG1 THR 56 1HG THR 56 -12.015 6.495 -4.672
348 HG21 THR 56 3HG2 THR 56 -11.988 4.777 -1.543
349 HG22 THR 56 1HG2 THR 56 -13.750 4.838 -1.495
350 HG23 THR 56 2HG2 THR 56 -12.818 6.333 -1.564
351 H ARG 57 H ARG 57 -10.915 3.523 -5.318
352 HA ARG 57 HA ARG 57 -9.549 1.815 -3.349
353 HB2 ARG 57 2HB ARG 57 -9.788 0.702 -5.477
354 HB3 ARG 57 1HB ARG 57 -9.207 2.115 -6.340
355 HG2 ARG 57 2HG ARG 57 -6.993 1.794 -5.237
356 HG3 ARG 57 1HG ARG 57 -7.610 0.278 -4.573
357 HD2 ARG 57 2HD ARG 57 -7.913 -0.645 -6.748
358 HD3 ARG 57 1HD ARG 57 -7.605 0.912 -7.517
359 HE ARG 57 HE ARG 57 -5.651 -0.981 -6.541
360 HH11 ARG 57 1HH1 ARG 57 -6.270 2.340 -7.488
361 HH12 ARG 57 2HH1 ARG 57 -4.600 2.693 -7.849
362 HH21 ARG 57 1HH2 ARG 57 -3.441 -0.519 -7.049
363 HH22 ARG 57 2HH2 ARG 57 -3.016 1.065 -7.617
364 H VAL 58 H VAL 58 -8.034 2.811 -2.203
365 HA VAL 58 HA VAL 58 -6.780 5.227 -3.338
366 HB VAL 58 HB VAL 58 -7.083 4.500 -0.419
367 HG11 VAL 58 1HG1 VAL 58 -6.378 6.812 -0.015
368 HG12 VAL 58 2HG1 VAL 58 -6.136 7.036 -1.747
369 HG13 VAL 58 3HG1 VAL 58 -5.139 5.884 -0.858
370 HG21 VAL 58 3HG2 VAL 58 -8.632 6.505 -2.055
371 HG22 VAL 58 1HG2 VAL 58 -8.763 6.266 -0.312
372 HG23 VAL 58 2HG2 VAL 58 -9.253 4.982 -1.416
373 H GLU 59 H GLU 59 -4.739 4.881 -3.972
374 HA GLU 59 HA GLU 59 -3.283 2.712 -2.651
375 HB2 GLU 59 2HB GLU 59 -1.750 2.791 -4.614
376 HB3 GLU 59 1HB GLU 59 -3.402 2.347 -5.004
377 HG2 GLU 59 2HG GLU 59 -3.815 4.626 -5.803
378 HG3 GLU 59 1HG GLU 59 -2.140 5.043 -5.433
379 H VAL 60 H VAL 60 -2.011 3.266 -1.105
380 HA VAL 60 HA VAL 60 -0.896 5.951 -0.963
381 HB VAL 60 HB VAL 60 -0.530 3.694 1.014
382 HG11 VAL 60 1HG1 VAL 60 -0.308 6.684 1.314
383 HG12 VAL 60 2HG1 VAL 60 1.037 5.549 1.237
384 HG13 VAL 60 3HG1 VAL 60 -0.081 5.499 2.599
385 HG21 VAL 60 3HG2 VAL 60 -2.912 4.072 0.721
386 HG22 VAL 60 1HG2 VAL 60 -2.683 5.804 0.955
387 HG23 VAL 60 2HG2 VAL 60 -2.385 4.688 2.287
388 H HIS 61 H HIS 61 1.038 6.370 -1.790
389 HA HIS 61 HA HIS 61 2.766 4.137 -2.547
390 HB2 HIS 61 2HB HIS 61 2.862 7.066 -3.273
391 HB3 HIS 61 1HB HIS 61 3.978 5.849 -3.884
392 HD1 HIS 61 1HD HIS 61 1.021 7.561 -4.881
393 HD2 HIS 61 2HD HIS 61 2.347 3.636 -5.194
394 HE1 HIS 61 1HE HIS 61 -0.319 6.540 -6.737
395 HE2 HIS 61 2HE HIS 61 0.337 4.114 -6.753
396 H LEU 62 H LEU 62 4.515 3.621 -1.458
397 HA LEU 62 HA LEU 62 5.449 5.479 0.636
398 HB2 LEU 62 2HB LEU 62 4.861 2.579 0.628
399 HB3 LEU 62 1HB LEU 62 6.278 3.075 1.528
400 HG LEU 62 HG LEU 62 5.038 4.191 3.137
401 HD11 LEU 62 1HD1 LEU 62 2.769 4.995 2.866
402 HD12 LEU 62 2HD1 LEU 62 2.691 4.299 1.247
403 HD13 LEU 62 3HD1 LEU 62 3.791 5.637 1.580
404 HD21 LEU 62 3HD2 LEU 62 4.572 1.802 3.210
405 HD22 LEU 62 1HD2 LEU 62 3.194 2.033 2.134
406 HD23 LEU 62 2HD2 LEU 62 3.177 2.736 3.752
407 H ASP 63 H ASP 63 7.667 5.510 1.130
408 HA ASP 63 HA ASP 63 9.356 4.839 -1.158
409 HB2 ASP 63 2HB ASP 63 10.931 6.400 -0.326
410 HB3 ASP 63 1HB ASP 63 9.357 7.145 -0.064
411 H ARG 64 H ARG 64 11.813 4.696 0.183
412 HA ARG 64 HA ARG 64 11.842 1.906 0.755
413 HB2 ARG 64 2HB ARG 64 14.116 3.811 1.252
414 HB3 ARG 64 1HB ARG 64 14.194 2.105 0.829
415 HG2 ARG 64 2HG ARG 64 13.327 2.614 -1.394
416 HG3 ARG 64 1HG ARG 64 13.253 4.325 -0.975
417 HD2 ARG 64 2HD ARG 64 15.747 4.121 -0.469
418 HD3 ARG 64 1HD ARG 64 15.670 2.579 -1.323
419 HE ARG 64 HE ARG 64 15.086 5.218 -2.513
420 HH11 ARG 64 1HH1 ARG 64 16.070 1.861 -2.822
421 HH12 ARG 64 2HH1 ARG 64 16.380 1.987 -4.532
422 HH21 ARG 64 1HH2 ARG 64 15.496 5.367 -4.754
423 HH22 ARG 64 2HH2 ARG 64 16.055 3.972 -5.619
424 H ASP 65 H ASP 65 11.681 4.784 2.690
425 HA ASP 65 HA ASP 65 12.442 3.395 5.138
426 HB2 ASP 65 2HB ASP 65 12.782 5.951 4.425
427 HB3 ASP 65 1HB ASP 65 11.204 6.106 5.186
428 H PHE 66 H PHE 66 9.818 3.420 3.246
429 HA PHE 66 HA PHE 66 7.669 2.760 3.470
430 HB2 PHE 66 2HB PHE 66 8.977 1.595 5.683
431 HB3 PHE 66 1HB PHE 66 7.478 2.277 6.306
432 HD1 PHE 66 1HD PHE 66 8.917 -0.093 3.882
433 HD2 PHE 66 2HD PHE 66 5.381 1.310 5.786
434 HE1 PHE 66 1HE PHE 66 7.686 -2.037 3.016
435 HE2 PHE 66 2HE PHE 66 4.139 -0.631 4.919
436 HZ PHE 66 HZ PHE 66 5.295 -2.306 3.530
437 H ARG 67 H ARG 67 8.490 5.515 3.829
438 HA ARG 67 HA ARG 67 6.355 6.504 5.575
439 HB2 ARG 67 2HB ARG 67 8.888 7.668 4.559
440 HB3 ARG 67 1HB ARG 67 7.528 8.772 4.720
441 HG2 ARG 67 2HG ARG 67 8.920 8.785 6.714
442 HG3 ARG 67 1HG ARG 67 7.303 8.176 7.069
443 HD2 ARG 67 2HD ARG 67 8.359 5.848 6.668
444 HD3 ARG 67 1HD ARG 67 9.893 6.684 6.897
445 HE ARG 67 HE ARG 67 8.725 7.455 9.088
446 HH11 ARG 67 1HH1 ARG 67 8.503 4.321 7.558
447 HH12 ARG 67 2HH1 ARG 67 8.175 3.469 9.041
448 HH21 ARG 67 1HH2 ARG 67 8.307 6.354 11.044
449 HH22 ARG 67 2HH2 ARG 67 8.073 4.637 11.028
450 H VAL 68 H VAL 68 4.903 8.138 4.749
451 HA VAL 68 HA VAL 68 3.840 7.299 2.242
452 HB VAL 68 HB VAL 68 2.337 7.956 4.035
453 HG11 VAL 68 1HG1 VAL 68 3.647 9.670 5.127
454 HG12 VAL 68 2HG1 VAL 68 2.066 10.317 4.689
455 HG13 VAL 68 3HG1 VAL 68 3.485 10.728 3.726
456 HG21 VAL 68 3HG2 VAL 68 2.165 9.813 1.667
457 HG22 VAL 68 1HG2 VAL 68 0.846 9.444 2.779
458 HG23 VAL 68 2HG2 VAL 68 1.525 8.173 1.763
459 H LEU 69 H LEU 69 4.536 7.906 0.337
460 HA LEU 69 HA LEU 69 5.825 10.470 -0.083
461 HB2 LEU 69 2HB LEU 69 5.031 8.291 -2.024
462 HB3 LEU 69 1HB LEU 69 5.933 9.729 -2.456
463 HG LEU 69 HG LEU 69 6.893 7.600 -0.544
464 HD11 LEU 69 1HD1 LEU 69 8.419 6.966 -2.341
465 HD12 LEU 69 2HD1 LEU 69 7.660 8.149 -3.408
466 HD13 LEU 69 3HD1 LEU 69 6.735 6.763 -2.827
467 HD21 LEU 69 3HD2 LEU 69 9.037 8.734 -0.711
468 HD22 LEU 69 1HD2 LEU 69 7.802 9.828 -0.086
469 HD23 LEU 69 2HD2 LEU 69 8.326 9.955 -1.766
470 H ASP 70 H ASP 70 2.905 8.776 -1.176
471 HA ASP 70 HA ASP 70 1.436 11.262 -1.238
472 HB2 ASP 70 2HB ASP 70 2.674 11.015 -3.485
473 HB3 ASP 70 1HB ASP 70 1.571 9.681 -3.805
474 H THR 71 H THR 71 -0.874 10.824 -1.904
475 HA THR 71 HA THR 71 -1.780 8.084 -1.532
476 HB THR 71 HB THR 71 -2.732 10.283 0.323
477 HG1 THR 71 1HG THR 71 -0.629 8.508 0.506
478 HG21 THR 71 3HG2 THR 71 -3.264 7.309 0.319
479 HG22 THR 71 1HG2 THR 71 -4.405 8.557 -0.181
480 HG23 THR 71 2HG2 THR 71 -3.874 8.470 1.498
481 H GLU 72 H GLU 72 -3.035 7.922 -3.302
482 HA GLU 72 HA GLU 72 -4.999 10.056 -3.766
483 HB2 GLU 72 2HB GLU 72 -4.714 9.672 -6.217
484 HB3 GLU 72 1HB GLU 72 -3.310 10.377 -5.432
485 HG2 GLU 72 2HG GLU 72 -3.311 7.446 -5.597
486 HG3 GLU 72 1HG GLU 72 -3.228 8.293 -7.141
487 HA PRO 73 HA PRO 73 -7.820 6.597 -4.152
488 HB2 PRO 73 2HB PRO 73 -9.873 8.500 -4.852
489 HB3 PRO 73 1HB PRO 73 -9.676 7.615 -3.338
490 HG2 PRO 73 2HG PRO 73 -9.364 10.333 -3.588
491 HG3 PRO 73 1HG PRO 73 -8.604 9.354 -2.322
492 HD2 PRO 73 2HD PRO 73 -7.432 10.405 -4.867
493 HD3 PRO 73 1HD PRO 73 -6.699 10.281 -3.253
494 H ALA 74 H ALA 74 -6.970 5.727 -6.058
495 HA ALA 74 HA ALA 74 -7.429 7.107 -8.576
496 HB1 ALA 74 1HB ALA 74 -5.979 4.522 -8.019
497 HB2 ALA 74 2HB ALA 74 -5.233 6.115 -8.141
498 HB3 ALA 74 3HB ALA 74 -6.003 5.393 -9.554
499 H ASP 75 H ASP 75 -9.365 6.863 -9.461
500 HA ASP 75 HA ASP 75 -10.811 4.351 -9.179
501 HB2 ASP 75 2HB ASP 75 -12.047 6.473 -8.929
502 HB3 ASP 75 1HB ASP 75 -11.612 6.914 -10.577
503 H GLY 76 H GLY 76 -10.207 2.781 -10.506
504 HA2 GLY 76 2HA GLY 76 -10.702 2.545 -13.122
505 HA3 GLY 76 1HA GLY 76 -9.154 3.379 -13.140
506 H ASP 77 H ASP 77 -9.504 0.864 -14.264
507 HA ASP 77 HA ASP 77 -8.318 -1.010 -12.344
508 HB2 ASP 77 2HB ASP 77 -9.250 -1.512 -15.180
509 HB3 ASP 77 1HB ASP 77 -8.733 -2.735 -14.025
510 H GLY 78 H GLY 78 -7.649 0.804 -15.239
511 HA2 GLY 78 2HA GLY 78 -4.955 1.036 -14.979
512 HA3 GLY 78 1HA GLY 78 -5.146 -0.520 -15.778
513 H GLY 79 H GLY 79 -6.332 2.820 -16.027
514 HA2 GLY 79 2HA GLY 79 -5.387 3.142 -18.678
515 HA3 GLY 79 1HA GLY 79 -7.105 2.771 -18.691
516 H LEU 80 H LEU 80 -4.721 4.972 -17.254
517 HA LEU 80 HA LEU 80 -6.801 7.066 -17.294
518 HB2 LEU 80 2HB LEU 80 -4.479 6.756 -15.385
519 HB3 LEU 80 1HB LEU 80 -5.550 8.142 -15.439
520 HG LEU 80 HG LEU 80 -6.374 5.319 -14.751
521 HD11 LEU 80 1HD1 LEU 80 -6.048 7.763 -13.014
522 HD12 LEU 80 2HD1 LEU 80 -5.010 6.336 -13.011
523 HD13 LEU 80 3HD1 LEU 80 -6.692 6.205 -12.496
524 HD21 LEU 80 3HD2 LEU 80 -7.949 7.891 -14.724
525 HD22 LEU 80 1HD2 LEU 80 -8.517 6.329 -14.134
526 HD23 LEU 80 2HD2 LEU 80 -8.166 6.552 -15.849
527 H GLU 81 H GLU 81 -6.414 8.617 -18.707
528 HA GLU 81 HA GLU 81 -3.693 8.945 -19.744
529 HB2 GLU 81 2HB GLU 81 -6.331 9.912 -20.869
530 HB3 GLU 81 1HB GLU 81 -4.762 10.106 -21.637
531 HG2 GLU 81 2HG GLU 81 -4.546 7.681 -21.813
532 HG3 GLU 81 1HG GLU 81 -6.119 7.489 -21.042
Start of MODEL 9
1 H1 GLY 1 1HT GLY 1 10.594 4.831 16.302
2 H2 GLY 1 2HT GLY 1 11.012 3.223 16.635
3 H3 GLY 1 3HT GLY 1 9.417 3.612 16.203
4 HA2 GLY 1 1HA GLY 1 10.151 4.288 14.003
5 HA3 GLY 1 2HA GLY 1 11.799 3.869 14.450
6 H ALA 2 H ALA 2 8.685 2.684 13.509
7 HA ALA 2 HA ALA 2 9.865 0.000 13.210
8 HB1 ALA 2 1HB ALA 2 6.997 0.601 13.922
9 HB2 ALA 2 2HB ALA 2 8.229 0.022 15.044
10 HB3 ALA 2 3HB ALA 2 7.710 -0.997 13.701
11 H MET 3 H MET 3 10.087 -0.453 11.141
12 HA MET 3 HA MET 3 8.401 0.833 9.141
13 HB2 MET 3 2HB MET 3 10.727 -1.066 8.760
14 HB3 MET 3 1HB MET 3 9.932 -0.140 7.498
15 HG2 MET 3 2HG MET 3 11.942 0.979 7.960
16 HG3 MET 3 1HG MET 3 10.671 1.935 8.717
17 HE1 MET 3 3HE MET 3 12.134 -1.467 10.063
18 HE2 MET 3 1HE MET 3 13.471 -0.896 11.063
19 HE3 MET 3 2HE MET 3 13.532 -0.691 9.314
20 H ALA 4 H ALA 4 7.273 -0.432 7.530
21 HA ALA 4 HA ALA 4 6.095 -2.803 8.680
22 HB1 ALA 4 1HB ALA 4 4.686 -1.155 7.548
23 HB2 ALA 4 2HB ALA 4 4.572 -2.740 6.782
24 HB3 ALA 4 3HB ALA 4 5.537 -1.466 6.035
25 H PHE 5 H PHE 5 8.345 -3.779 8.581
26 HA PHE 5 HA PHE 5 8.471 -5.414 6.141
27 HB2 PHE 5 2HB PHE 5 10.824 -4.222 7.624
28 HB3 PHE 5 1HB PHE 5 10.966 -5.494 6.420
29 HD1 PHE 5 2HD PHE 5 10.136 -4.990 4.060
30 HD2 PHE 5 1HD PHE 5 10.812 -1.987 6.995
31 HE1 PHE 5 2HE PHE 5 10.296 -3.296 2.282
32 HE2 PHE 5 1HE PHE 5 10.973 -0.287 5.225
33 HZ PHE 5 HZ PHE 5 10.717 -0.941 2.866
34 H ASP 6 H ASP 6 7.024 -6.370 8.046
35 HA ASP 6 HA ASP 6 8.738 -8.407 9.305
36 HB2 ASP 6 2HB ASP 6 7.762 -6.821 10.982
37 HB3 ASP 6 1HB ASP 6 6.157 -7.318 10.459
38 H GLY 7 H GLY 7 5.322 -7.746 8.543
39 HA2 GLY 7 2HA GLY 7 3.982 -8.865 6.993
40 HA3 GLY 7 1HA GLY 7 5.269 -10.039 6.765
41 H GLU 8 H GLU 8 2.967 -11.202 6.856
42 HA GLU 8 HA GLU 8 2.751 -12.195 9.628
43 HB2 GLU 8 2HB GLU 8 0.798 -10.777 8.712
44 HB3 GLU 8 1HB GLU 8 0.427 -12.180 7.719
45 HG2 GLU 8 2HG GLU 8 0.143 -13.543 9.695
46 HG3 GLU 8 1HG GLU 8 0.615 -12.190 10.722
47 H ASP 9 H ASP 9 1.155 -14.365 9.243
48 HA ASP 9 HA ASP 9 3.065 -16.183 8.125
49 HB2 ASP 9 2HB ASP 9 0.371 -16.666 9.408
50 HB3 ASP 9 1HB ASP 9 1.479 -17.942 8.909
51 H GLU 10 H GLU 10 0.437 -14.516 6.831
52 HA GLU 10 HA GLU 10 -0.187 -16.510 4.835
53 HB2 GLU 10 2HB GLU 10 -1.057 -13.654 5.217
54 HB3 GLU 10 1HB GLU 10 -1.440 -14.548 3.753
55 HG2 GLU 10 2HG GLU 10 -2.492 -16.286 5.270
56 HG3 GLU 10 1HG GLU 10 -2.347 -15.088 6.557
57 H VAL 11 H VAL 11 1.659 -16.954 3.736
58 HA VAL 11 HA VAL 11 3.332 -14.875 2.677
59 HB VAL 11 HB VAL 11 3.307 -17.793 1.892
60 HG11 VAL 11 1HG1 VAL 11 5.637 -17.394 1.273
61 HG12 VAL 11 2HG1 VAL 11 5.471 -15.696 1.723
62 HG13 VAL 11 3HG1 VAL 11 4.546 -16.345 0.368
63 HG21 VAL 11 3HG2 VAL 11 4.881 -16.443 4.086
64 HG22 VAL 11 1HG2 VAL 11 5.052 -18.122 3.571
65 HG23 VAL 11 2HG2 VAL 11 3.550 -17.576 4.315
66 H THR 12 H THR 12 1.912 -13.617 1.479
67 HA THR 12 HA THR 12 0.718 -14.875 -0.893
68 HB THR 12 HB THR 12 -0.812 -13.674 0.661
69 HG1 THR 12 1HG THR 12 -1.701 -12.258 -1.065
70 HG21 THR 12 3HG2 THR 12 -0.761 -11.215 0.731
71 HG22 THR 12 1HG2 THR 12 0.745 -11.226 -0.189
72 HG23 THR 12 2HG2 THR 12 0.696 -11.921 1.431
73 H GLY 13 H GLY 13 3.443 -13.316 -0.039
74 HA2 GLY 13 2HA GLY 13 4.654 -12.936 -2.369
75 HA3 GLY 13 1HA GLY 13 3.620 -11.513 -2.315
76 HA PRO 14 HA PRO 14 7.576 -10.789 0.112
77 HB2 PRO 14 2HB PRO 14 8.437 -8.886 -1.880
78 HB3 PRO 14 1HB PRO 14 9.232 -10.377 -1.373
79 HG2 PRO 14 2HG PRO 14 8.099 -9.996 -3.842
80 HG3 PRO 14 1HG PRO 14 8.336 -11.582 -3.090
81 HD2 PRO 14 2HD PRO 14 5.861 -9.922 -3.296
82 HD3 PRO 14 1HD PRO 14 6.052 -11.685 -3.394
83 H ASP 15 H ASP 15 6.820 -8.041 -1.962
84 HA ASP 15 HA ASP 15 6.725 -6.230 0.228
85 HB2 ASP 15 2HB ASP 15 6.032 -4.584 -1.547
86 HB3 ASP 15 1HB ASP 15 7.528 -5.447 -1.896
87 H ALA 16 H ALA 16 4.320 -7.853 -1.727
88 HA ALA 16 HA ALA 16 2.037 -6.434 -1.105
89 HB1 ALA 16 1HB ALA 16 2.276 -9.418 -1.496
90 HB2 ALA 16 2HB ALA 16 2.119 -8.217 -2.776
91 HB3 ALA 16 3HB ALA 16 0.796 -8.468 -1.638
92 H ASP 17 H ASP 17 3.443 -9.178 0.655
93 HA ASP 17 HA ASP 17 1.429 -9.319 2.632
94 HB2 ASP 17 2HB ASP 17 2.589 -11.287 2.535
95 HB3 ASP 17 1HB ASP 17 4.125 -10.497 2.213
96 H ARG 18 H ARG 18 4.563 -7.696 2.545
97 HA ARG 18 HA ARG 18 4.625 -6.930 5.259
98 HB2 ARG 18 2HB ARG 18 5.950 -5.519 2.931
99 HB3 ARG 18 1HB ARG 18 6.427 -5.436 4.623
100 HG2 ARG 18 2HG ARG 18 6.504 -7.914 2.913
101 HG3 ARG 18 1HG ARG 18 7.890 -6.896 3.306
102 HD2 ARG 18 2HD ARG 18 8.037 -7.685 5.427
103 HD3 ARG 18 1HD ARG 18 6.291 -7.873 5.588
104 HE ARG 18 HE ARG 18 6.428 -9.982 4.544
105 HH11 ARG 18 1HH1 ARG 18 9.580 -8.519 5.045
106 HH12 ARG 18 2HH1 ARG 18 10.444 -10.002 4.818
107 HH21 ARG 18 1HH2 ARG 18 7.573 -11.925 4.224
108 HH22 ARG 18 2HH2 ARG 18 9.310 -11.946 4.345
109 H ALA 19 H ALA 19 3.416 -5.311 2.358
110 HA ALA 19 HA ALA 19 2.788 -2.897 3.799
111 HB1 ALA 19 1HB ALA 19 2.022 -3.693 0.997
112 HB2 ALA 19 2HB ALA 19 3.502 -2.851 1.452
113 HB3 ALA 19 3HB ALA 19 1.938 -2.074 1.692
114 H ARG 20 H ARG 20 1.003 -5.722 2.656
115 HA ARG 20 HA ARG 20 -1.590 -4.656 3.027
116 HB2 ARG 20 2HB ARG 20 -1.026 -6.719 1.714
117 HB3 ARG 20 1HB ARG 20 -0.791 -7.563 3.243
118 HG2 ARG 20 2HG ARG 20 -3.174 -6.911 3.805
119 HG3 ARG 20 1HG ARG 20 -3.333 -6.425 2.116
120 HD2 ARG 20 2HD ARG 20 -3.918 -8.539 1.704
121 HD3 ARG 20 1HD ARG 20 -2.220 -8.950 1.961
122 HE ARG 20 HE ARG 20 -3.585 -8.853 4.438
123 HH11 ARG 20 1HH1 ARG 20 -3.264 -10.861 1.566
124 HH12 ARG 20 2HH1 ARG 20 -3.709 -12.319 2.405
125 HH21 ARG 20 1HH2 ARG 20 -4.204 -10.758 5.507
126 HH22 ARG 20 2HH2 ARG 20 -4.238 -12.268 4.651
127 H ALA 21 H ALA 21 0.731 -6.094 5.198
128 HA ALA 21 HA ALA 21 -0.999 -6.518 7.393
129 HB1 ALA 21 1HB ALA 21 1.033 -6.621 8.739
130 HB2 ALA 21 2HB ALA 21 1.962 -5.946 7.401
131 HB3 ALA 21 3HB ALA 21 1.219 -7.537 7.244
132 H ALA 22 H ALA 22 0.868 -3.739 6.299
133 HA ALA 22 HA ALA 22 0.282 -2.136 8.606
134 HB1 ALA 22 1HB ALA 22 1.348 -0.333 7.396
135 HB2 ALA 22 2HB ALA 22 1.302 -1.271 5.903
136 HB3 ALA 22 3HB ALA 22 2.310 -1.804 7.249
137 H ALA 23 H ALA 23 -1.131 -2.660 5.473
138 HA ALA 23 HA ALA 23 -2.770 -0.455 5.167
139 HB1 ALA 23 1HB ALA 23 -2.380 -2.186 3.465
140 HB2 ALA 23 2HB ALA 23 -4.097 -1.848 3.694
141 HB3 ALA 23 3HB ALA 23 -3.384 -3.302 4.392
142 H VAL 24 H VAL 24 -3.255 -3.325 7.136
143 HA VAL 24 HA VAL 24 -5.985 -3.174 7.604
144 HB VAL 24 HB VAL 24 -3.868 -4.088 9.564
145 HG11 VAL 24 1HG1 VAL 24 -6.797 -4.784 9.386
146 HG12 VAL 24 2HG1 VAL 24 -6.048 -3.764 10.613
147 HG13 VAL 24 3HG1 VAL 24 -5.635 -5.477 10.519
148 HG21 VAL 24 3HG2 VAL 24 -3.657 -5.212 7.415
149 HG22 VAL 24 1HG2 VAL 24 -5.367 -5.640 7.459
150 HG23 VAL 24 2HG2 VAL 24 -4.257 -6.321 8.649
151 H GLN 25 H GLN 25 -3.344 -1.497 9.239
152 HA GLN 25 HA GLN 25 -5.150 -0.343 11.194
153 HB2 GLN 25 2HB GLN 25 -2.175 -0.009 10.786
154 HB3 GLN 25 1HB GLN 25 -3.085 0.764 12.074
155 HG2 GLN 25 2HG GLN 25 -2.109 -1.106 13.065
156 HG3 GLN 25 1HG GLN 25 -3.781 -1.580 12.774
157 HE21 GLN 25 1HE2 GLN 25 -1.228 -1.374 10.366
158 HE22 GLN 25 2HE2 GLN 25 -1.179 -3.074 10.012
159 H ALA 26 H ALA 26 -4.108 0.427 8.097
160 HA ALA 26 HA ALA 26 -4.194 3.308 8.482
161 HB1 ALA 26 1HB ALA 26 -2.529 2.368 6.961
162 HB2 ALA 26 2HB ALA 26 -3.636 3.448 6.113
163 HB3 ALA 26 3HB ALA 26 -3.817 1.700 5.961
164 H VAL 27 H VAL 27 -6.171 0.730 7.144
165 HA VAL 27 HA VAL 27 -8.113 2.659 6.142
166 HB VAL 27 HB VAL 27 -7.553 0.711 4.738
167 HG11 VAL 27 1HG1 VAL 27 -8.853 -0.933 6.901
168 HG12 VAL 27 2HG1 VAL 27 -7.142 -0.933 6.478
169 HG13 VAL 27 3HG1 VAL 27 -8.334 -1.525 5.323
170 HG21 VAL 27 3HG2 VAL 27 -9.844 0.058 4.166
171 HG22 VAL 27 1HG2 VAL 27 -9.707 1.792 4.456
172 HG23 VAL 27 2HG2 VAL 27 -10.415 0.746 5.686
173 HA PRO 28 HA PRO 28 -10.476 2.370 9.901
174 HB2 PRO 28 2HB PRO 28 -12.690 3.684 9.032
175 HB3 PRO 28 1HB PRO 28 -11.192 4.509 9.476
176 HG2 PRO 28 2HG PRO 28 -12.230 3.789 6.768
177 HG3 PRO 28 1HG PRO 28 -11.427 5.277 7.302
178 HD2 PRO 28 2HD PRO 28 -10.143 3.309 5.934
179 HD3 PRO 28 1HD PRO 28 -9.328 4.360 7.108
180 H GLY 29 H GLY 29 -10.683 0.055 9.703
181 HA2 GLY 29 2HA GLY 29 -11.982 -1.831 9.794
182 HA3 GLY 29 1HA GLY 29 -13.380 -0.771 9.689
183 H GLY 30 H GLY 30 -10.783 -1.191 7.332
184 HA2 GLY 30 2HA GLY 30 -12.864 -1.998 5.405
185 HA3 GLY 30 1HA GLY 30 -11.464 -1.022 4.985
186 H THR 31 H THR 31 -11.550 -2.872 3.338
187 HA THR 31 HA THR 31 -10.328 -5.331 4.336
188 HB THR 31 HB THR 31 -11.217 -4.721 1.513
189 HG1 THR 31 1HG THR 31 -12.727 -6.095 3.507
190 HG21 THR 31 3HG2 THR 31 -11.365 -7.170 1.330
191 HG22 THR 31 1HG2 THR 31 -10.771 -7.324 2.985
192 HG23 THR 31 2HG2 THR 31 -9.730 -6.646 1.733
193 H ALA 32 H ALA 32 -8.210 -5.683 4.170
194 HA ALA 32 HA ALA 32 -6.552 -3.898 2.561
195 HB1 ALA 32 1HB ALA 32 -5.808 -6.051 4.546
196 HB2 ALA 32 2HB ALA 32 -5.828 -4.312 4.843
197 HB3 ALA 32 3HB ALA 32 -4.665 -5.001 3.710
198 H GLY 33 H GLY 33 -5.588 -4.507 0.695
199 HA2 GLY 33 2HA GLY 33 -5.965 -7.317 -0.129
200 HA3 GLY 33 1HA GLY 33 -6.224 -5.964 -1.222
201 H GLU 34 H GLU 34 -4.493 -8.095 -1.776
202 HA GLU 34 HA GLU 34 -1.805 -7.674 -1.252
203 HB2 GLU 34 2HB GLU 34 -3.276 -8.859 -3.578
204 HB3 GLU 34 1HB GLU 34 -1.534 -8.649 -3.664
205 HG2 GLU 34 2HG GLU 34 -2.179 -10.901 -2.960
206 HG3 GLU 34 1HG GLU 34 -1.222 -10.063 -1.742
207 H VAL 35 H VAL 35 -0.532 -6.042 -1.627
208 HA VAL 35 HA VAL 35 -1.298 -4.002 -3.567
209 HB VAL 35 HB VAL 35 0.280 -2.550 -2.457
210 HG11 VAL 35 1HG1 VAL 35 -1.394 -4.095 -0.480
211 HG12 VAL 35 2HG1 VAL 35 -1.905 -2.701 -1.435
212 HG13 VAL 35 3HG1 VAL 35 -0.678 -2.512 -0.181
213 HG21 VAL 35 3HG2 VAL 35 1.034 -4.942 -0.777
214 HG22 VAL 35 1HG2 VAL 35 1.609 -3.292 -0.543
215 HG23 VAL 35 2HG2 VAL 35 2.041 -4.175 -2.006
216 H GLU 36 H GLU 36 0.272 -3.146 -5.045
217 HA GLU 36 HA GLU 36 2.556 -4.923 -5.547
218 HB2 GLU 36 2HB GLU 36 2.267 -4.597 -7.958
219 HB3 GLU 36 1HB GLU 36 0.845 -5.345 -7.247
220 HG2 GLU 36 2HG GLU 36 -0.324 -3.212 -7.292
221 HG3 GLU 36 1HG GLU 36 1.110 -2.427 -7.949
222 H THR 37 H THR 37 4.463 -3.944 -6.141
223 HA THR 37 HA THR 37 4.753 -1.173 -5.486
224 HB THR 37 HB THR 37 7.128 -1.508 -6.180
225 HG1 THR 37 1HG THR 37 7.071 -3.066 -7.728
226 HG21 THR 37 3HG2 THR 37 7.713 -3.062 -4.387
227 HG22 THR 37 1HG2 THR 37 6.044 -3.633 -4.330
228 HG23 THR 37 2HG2 THR 37 6.423 -1.972 -3.880
229 H GLU 38 H GLU 38 5.057 0.557 -6.866
230 HA GLU 38 HA GLU 38 4.482 0.114 -9.666
231 HB2 GLU 38 2HB GLU 38 5.079 2.653 -8.131
232 HB3 GLU 38 1HB GLU 38 4.722 2.605 -9.852
233 HG2 GLU 38 2HG GLU 38 2.565 1.347 -9.056
234 HG3 GLU 38 1HG GLU 38 2.922 2.144 -7.526
235 H THR 39 H THR 39 6.228 -1.148 -10.241
236 HA THR 39 HA THR 39 8.919 -0.381 -9.726
237 HB THR 39 HB THR 39 8.015 -2.357 -11.818
238 HG1 THR 39 1HG THR 39 7.716 -3.829 -10.203
239 HG21 THR 39 3HG2 THR 39 10.106 -3.483 -11.236
240 HG22 THR 39 1HG2 THR 39 10.449 -2.249 -10.027
241 HG23 THR 39 2HG2 THR 39 10.419 -1.822 -11.738
242 H GLY 40 H GLY 40 10.153 0.984 -10.826
243 HA2 GLY 40 2HA GLY 40 10.869 1.807 -13.055
244 HA3 GLY 40 1HA GLY 40 9.154 1.943 -13.438
245 H GLU 41 H GLU 41 8.544 2.827 -10.702
246 HA GLU 41 HA GLU 41 9.085 5.643 -11.046
247 HB2 GLU 41 2HB GLU 41 7.354 3.999 -9.246
248 HB3 GLU 41 1HB GLU 41 7.764 5.634 -8.752
249 HG2 GLU 41 2HG GLU 41 5.612 5.552 -9.877
250 HG3 GLU 41 1HG GLU 41 6.772 6.522 -10.779
251 H GLY 42 H GLY 42 10.197 6.963 -9.575
252 HA2 GLY 42 2HA GLY 42 12.319 5.516 -8.158
253 HA3 GLY 42 1HA GLY 42 12.358 7.207 -8.638
254 H ALA 43 H ALA 43 9.838 7.968 -7.609
255 HA ALA 43 HA ALA 43 10.596 8.267 -4.830
256 HB1 ALA 43 1HB ALA 43 8.797 9.896 -4.698
257 HB2 ALA 43 2HB ALA 43 8.236 9.435 -6.307
258 HB3 ALA 43 3HB ALA 43 9.809 10.209 -6.107
259 H ALA 44 H ALA 44 7.502 7.443 -6.412
260 HA ALA 44 HA ALA 44 6.525 6.214 -3.999
261 HB1 ALA 44 1HB ALA 44 5.323 6.342 -6.764
262 HB2 ALA 44 2HB ALA 44 5.022 7.467 -5.439
263 HB3 ALA 44 3HB ALA 44 4.502 5.789 -5.305
264 H ALA 45 H ALA 45 7.776 4.451 -3.553
265 HA ALA 45 HA ALA 45 8.305 2.460 -5.580
266 HB1 ALA 45 1HB ALA 45 9.996 2.999 -3.886
267 HB2 ALA 45 2HB ALA 45 9.544 1.294 -3.843
268 HB3 ALA 45 3HB ALA 45 8.914 2.405 -2.626
269 H TYR 46 H TYR 46 6.237 2.794 -2.737
270 HA TYR 46 HA TYR 46 5.037 0.187 -3.416
271 HB2 TYR 46 2HB TYR 46 5.087 1.549 -0.713
272 HB3 TYR 46 1HB TYR 46 4.366 -0.014 -1.069
273 HD1 TYR 46 1HD TYR 46 5.830 -1.959 -1.580
274 HD2 TYR 46 2HD TYR 46 7.425 1.780 -0.338
275 HE1 TYR 46 1HE TYR 46 7.962 -3.054 -1.029
276 HE2 TYR 46 2HE TYR 46 9.558 0.696 0.211
277 HH TYR 46 HH TYR 46 10.366 -1.571 0.818
278 H GLY 47 H GLY 47 2.843 0.067 -3.655
279 HA2 GLY 47 2HA GLY 47 1.294 2.494 -2.984
280 HA3 GLY 47 1HA GLY 47 0.950 1.513 -4.409
281 H VAL 48 H VAL 48 0.106 2.071 -1.239
282 HA VAL 48 HA VAL 48 -0.709 -0.696 -0.736
283 HB VAL 48 HB VAL 48 -0.782 1.709 1.090
284 HG11 VAL 48 1HG1 VAL 48 -2.523 0.117 1.675
285 HG12 VAL 48 2HG1 VAL 48 -1.231 0.074 2.875
286 HG13 VAL 48 3HG1 VAL 48 -1.352 -1.199 1.660
287 HG21 VAL 48 3HG2 VAL 48 1.076 -0.667 1.050
288 HG22 VAL 48 1HG2 VAL 48 1.079 0.631 2.242
289 HG23 VAL 48 2HG2 VAL 48 1.490 0.977 0.563
290 H LEU 49 H LEU 49 -2.628 -1.258 -1.508
291 HA LEU 49 HA LEU 49 -4.678 0.793 -1.808
292 HB2 LEU 49 2HB LEU 49 -5.836 -0.898 -3.221
293 HB3 LEU 49 1HB LEU 49 -4.263 -0.415 -3.819
294 HG LEU 49 HG LEU 49 -3.681 -2.657 -2.322
295 HD11 LEU 49 1HD1 LEU 49 -6.270 -3.118 -3.796
296 HD12 LEU 49 2HD1 LEU 49 -6.035 -3.192 -2.049
297 HD13 LEU 49 3HD1 LEU 49 -5.247 -4.371 -3.097
298 HD21 LEU 49 3HD2 LEU 49 -4.297 -2.498 -5.270
299 HD22 LEU 49 1HD2 LEU 49 -3.303 -3.718 -4.473
300 HD23 LEU 49 2HD2 LEU 49 -2.771 -2.036 -4.513
301 H VAL 50 H VAL 50 -6.051 1.040 -0.230
302 HA VAL 50 HA VAL 50 -6.966 -1.351 1.222
303 HB VAL 50 HB VAL 50 -7.659 0.301 3.044
304 HG11 VAL 50 1HG1 VAL 50 -5.785 -1.213 3.303
305 HG12 VAL 50 2HG1 VAL 50 -5.403 0.357 4.011
306 HG13 VAL 50 3HG1 VAL 50 -4.732 -0.088 2.442
307 HG21 VAL 50 3HG2 VAL 50 -5.746 2.076 1.528
308 HG22 VAL 50 1HG2 VAL 50 -6.367 2.387 3.150
309 HG23 VAL 50 2HG2 VAL 50 -7.470 2.367 1.772
310 H THR 51 H THR 51 -9.022 -1.894 1.052
311 HA THR 51 HA THR 51 -10.769 -0.161 -0.518
312 HB THR 51 HB THR 51 -11.285 -2.993 0.424
313 HG1 THR 51 1HG THR 51 -9.441 -2.301 -1.211
314 HG21 THR 51 3HG2 THR 51 -12.545 -1.347 -1.777
315 HG22 THR 51 1HG2 THR 51 -13.293 -1.747 -0.231
316 HG23 THR 51 2HG2 THR 51 -12.931 -3.024 -1.391
317 H ARG 52 H ARG 52 -11.794 1.326 0.690
318 HA ARG 52 HA ARG 52 -12.533 0.895 3.418
319 HB2 ARG 52 2HB ARG 52 -13.344 3.028 1.433
320 HB3 ARG 52 1HB ARG 52 -13.819 3.032 3.124
321 HG2 ARG 52 2HG ARG 52 -11.430 3.133 3.757
322 HG3 ARG 52 1HG ARG 52 -11.016 3.244 2.042
323 HD2 ARG 52 2HD ARG 52 -12.275 5.296 1.834
324 HD3 ARG 52 1HD ARG 52 -12.824 5.162 3.501
325 HE ARG 52 HE ARG 52 -9.968 5.489 2.867
326 HH11 ARG 52 1HH1 ARG 52 -12.872 6.470 4.549
327 HH12 ARG 52 2HH1 ARG 52 -12.096 7.784 5.389
328 HH21 ARG 52 1HH2 ARG 52 -8.932 7.230 3.987
329 HH22 ARG 52 2HH2 ARG 52 -9.875 8.196 5.085
330 HA PRO 53 HA PRO 53 -16.479 -1.122 2.870
331 HB2 PRO 53 2HB PRO 53 -17.509 0.563 5.064
332 HB3 PRO 53 1HB PRO 53 -17.380 -1.196 4.966
333 HG2 PRO 53 2HG PRO 53 -15.760 0.246 6.550
334 HG3 PRO 53 1HG PRO 53 -15.197 -1.214 5.716
335 HD2 PRO 53 2HD PRO 53 -14.723 1.661 5.041
336 HD3 PRO 53 1HD PRO 53 -13.616 0.276 4.934
337 H ASP 54 H ASP 54 -15.973 2.225 2.747
338 HA ASP 54 HA ASP 54 -18.550 3.124 2.018
339 HB2 ASP 54 2HB ASP 54 -16.724 4.602 2.808
340 HB3 ASP 54 1HB ASP 54 -15.846 4.286 1.315
341 H GLY 55 H GLY 55 -15.985 1.525 0.297
342 HA2 GLY 55 2HA GLY 55 -16.707 0.265 -1.674
343 HA3 GLY 55 1HA GLY 55 -17.622 1.683 -2.158
344 H THR 56 H THR 56 -15.127 3.233 -1.123
345 HA THR 56 HA THR 56 -13.905 3.334 -3.755
346 HB THR 56 HB THR 56 -14.588 5.442 -2.726
347 HG1 THR 56 1HG THR 56 -12.542 6.535 -2.934
348 HG21 THR 56 3HG2 THR 56 -13.449 6.328 -0.753
349 HG22 THR 56 1HG2 THR 56 -12.542 4.824 -0.589
350 HG23 THR 56 2HG2 THR 56 -14.291 4.828 -0.370
351 H ARG 57 H ARG 57 -11.674 3.150 -4.142
352 HA ARG 57 HA ARG 57 -10.201 1.611 -2.119
353 HB2 ARG 57 2HB ARG 57 -10.502 0.647 -4.446
354 HB3 ARG 57 1HB ARG 57 -9.498 1.963 -5.039
355 HG2 ARG 57 2HG ARG 57 -7.715 1.155 -3.441
356 HG3 ARG 57 1HG ARG 57 -8.711 -0.281 -3.203
357 HD2 ARG 57 2HD ARG 57 -7.265 -0.968 -4.867
358 HD3 ARG 57 1HD ARG 57 -8.659 -0.428 -5.798
359 HE ARG 57 HE ARG 57 -7.202 1.790 -5.788
360 HH11 ARG 57 1HH1 ARG 57 -6.275 -1.538 -6.457
361 HH12 ARG 57 2HH1 ARG 57 -4.917 -1.075 -7.449
362 HH21 ARG 57 1HH2 ARG 57 -5.387 2.368 -7.083
363 HH22 ARG 57 2HH2 ARG 57 -4.432 1.104 -7.805
364 H VAL 58 H VAL 58 -8.738 2.687 -0.984
365 HA VAL 58 HA VAL 58 -7.626 5.159 -2.122
366 HB VAL 58 HB VAL 58 -7.538 4.191 0.746
367 HG11 VAL 58 1HG1 VAL 58 -6.784 6.861 -0.440
368 HG12 VAL 58 2HG1 VAL 58 -5.659 5.639 0.154
369 HG13 VAL 58 3HG1 VAL 58 -6.760 6.440 1.273
370 HG21 VAL 58 3HG2 VAL 58 -9.272 6.304 -0.527
371 HG22 VAL 58 1HG2 VAL 58 -9.184 5.946 1.195
372 HG23 VAL 58 2HG2 VAL 58 -9.811 4.736 0.074
373 H GLU 59 H GLU 59 -5.608 5.129 -2.858
374 HA GLU 59 HA GLU 59 -3.890 2.900 -2.021
375 HB2 GLU 59 2HB GLU 59 -2.623 3.343 -4.139
376 HB3 GLU 59 1HB GLU 59 -4.264 2.762 -4.369
377 HG2 GLU 59 2HG GLU 59 -4.988 5.078 -4.802
378 HG3 GLU 59 1HG GLU 59 -3.312 5.601 -4.655
379 H VAL 60 H VAL 60 -2.518 3.457 -0.534
380 HA VAL 60 HA VAL 60 -1.632 6.209 -0.282
381 HB VAL 60 HB VAL 60 -0.762 3.861 1.403
382 HG11 VAL 60 1HG1 VAL 60 -0.345 5.591 3.095
383 HG12 VAL 60 2HG1 VAL 60 -0.822 6.828 1.933
384 HG13 VAL 60 3HG1 VAL 60 0.612 5.845 1.635
385 HG21 VAL 60 3HG2 VAL 60 -3.194 3.962 1.430
386 HG22 VAL 60 1HG2 VAL 60 -3.133 5.680 1.828
387 HG23 VAL 60 2HG2 VAL 60 -2.536 4.485 2.980
388 H HIS 61 H HIS 61 0.061 6.909 -1.387
389 HA HIS 61 HA HIS 61 1.954 5.060 -2.537
390 HB2 HIS 61 2HB HIS 61 1.434 7.976 -2.747
391 HB3 HIS 61 1HB HIS 61 3.056 7.414 -3.135
392 HD1 HIS 61 1HD HIS 61 0.161 8.269 -4.874
393 HD2 HIS 61 2HD HIS 61 2.627 4.913 -4.947
394 HE1 HIS 61 1HE HIS 61 -0.220 7.185 -7.110
395 HE2 HIS 61 2HE HIS 61 1.437 5.280 -7.209
396 H LEU 62 H LEU 62 3.685 4.344 -1.583
397 HA LEU 62 HA LEU 62 4.652 5.770 0.804
398 HB2 LEU 62 2HB LEU 62 3.822 3.034 0.350
399 HB3 LEU 62 1HB LEU 62 5.456 3.101 0.977
400 HG LEU 62 HG LEU 62 4.793 3.877 3.027
401 HD11 LEU 62 1HD1 LEU 62 3.734 5.931 2.218
402 HD12 LEU 62 2HD1 LEU 62 2.739 5.153 3.449
403 HD13 LEU 62 3HD1 LEU 62 2.303 5.013 1.746
404 HD21 LEU 62 3HD2 LEU 62 2.737 2.736 3.701
405 HD22 LEU 62 1HD2 LEU 62 3.749 1.716 2.678
406 HD23 LEU 62 2HD2 LEU 62 2.321 2.502 2.003
407 H ASP 63 H ASP 63 6.850 5.646 1.293
408 HA ASP 63 HA ASP 63 8.591 5.599 -1.038
409 HB2 ASP 63 2HB ASP 63 8.749 7.508 0.471
410 HB3 ASP 63 1HB ASP 63 9.011 6.446 1.846
411 H ARG 64 H ARG 64 10.893 4.692 -0.484
412 HA ARG 64 HA ARG 64 10.780 1.934 -0.412
413 HB2 ARG 64 2HB ARG 64 13.111 3.672 0.409
414 HB3 ARG 64 1HB ARG 64 13.203 1.995 -0.107
415 HG2 ARG 64 2HG ARG 64 12.529 2.567 -2.325
416 HG3 ARG 64 1HG ARG 64 12.183 4.228 -1.840
417 HD2 ARG 64 2HD ARG 64 14.895 2.915 -1.770
418 HD3 ARG 64 1HD ARG 64 14.331 4.022 -3.019
419 HE ARG 64 HE ARG 64 14.225 5.072 -0.320
420 HH11 ARG 64 1HH1 ARG 64 16.162 4.704 -3.214
421 HH12 ARG 64 2HH1 ARG 64 17.150 6.097 -2.887
422 HH21 ARG 64 1HH2 ARG 64 15.496 6.896 0.116
423 HH22 ARG 64 2HH2 ARG 64 16.761 7.361 -0.983
424 H ASP 65 H ASP 65 11.257 4.198 2.243
425 HA ASP 65 HA ASP 65 11.646 2.031 4.153
426 HB2 ASP 65 2HB ASP 65 11.737 5.032 4.368
427 HB3 ASP 65 1HB ASP 65 11.758 4.003 5.794
428 H PHE 66 H PHE 66 9.040 2.796 2.683
429 HA PHE 66 HA PHE 66 6.822 2.716 3.078
430 HB2 PHE 66 2HB PHE 66 7.931 1.439 5.506
431 HB3 PHE 66 1HB PHE 66 6.267 2.010 5.623
432 HD1 PHE 66 1HD PHE 66 8.538 -0.268 3.838
433 HD2 PHE 66 2HD PHE 66 4.516 0.955 4.447
434 HE1 PHE 66 1HE PHE 66 7.755 -2.263 2.632
435 HE2 PHE 66 2HE PHE 66 3.721 -1.039 3.252
436 HZ PHE 66 HZ PHE 66 5.340 -2.645 2.340
437 H ARG 67 H ARG 67 8.455 5.115 3.678
438 HA ARG 67 HA ARG 67 6.935 6.522 5.682
439 HB2 ARG 67 2HB ARG 67 9.363 6.987 5.042
440 HB3 ARG 67 1HB ARG 67 8.731 7.734 3.580
441 HG2 ARG 67 2HG ARG 67 7.558 9.384 4.854
442 HG3 ARG 67 1HG ARG 67 7.979 8.580 6.366
443 HD2 ARG 67 2HD ARG 67 10.423 8.950 5.596
444 HD3 ARG 67 1HD ARG 67 9.721 10.146 4.504
445 HE ARG 67 HE ARG 67 8.667 11.008 6.715
446 HH11 ARG 67 1HH1 ARG 67 11.931 9.845 6.220
447 HH12 ARG 67 2HH1 ARG 67 12.551 10.611 7.657
448 HH21 ARG 67 1HH2 ARG 67 9.470 12.053 8.551
449 HH22 ARG 67 2HH2 ARG 67 11.157 11.903 8.973
450 H VAL 68 H VAL 68 5.233 7.916 5.320
451 HA VAL 68 HA VAL 68 3.732 7.381 2.961
452 HB VAL 68 HB VAL 68 2.598 7.722 5.088
453 HG11 VAL 68 1HG1 VAL 68 3.543 10.576 4.903
454 HG12 VAL 68 2HG1 VAL 68 4.043 9.381 6.100
455 HG13 VAL 68 3HG1 VAL 68 2.377 9.957 6.071
456 HG21 VAL 68 3HG2 VAL 68 0.835 9.256 4.325
457 HG22 VAL 68 1HG2 VAL 68 1.347 8.141 3.058
458 HG23 VAL 68 2HG2 VAL 68 1.901 9.816 3.035
459 H LEU 69 H LEU 69 3.754 8.367 1.084
460 HA LEU 69 HA LEU 69 5.121 10.945 0.835
461 HB2 LEU 69 2HB LEU 69 4.103 9.105 -1.339
462 HB3 LEU 69 1HB LEU 69 5.114 10.520 -1.562
463 HG LEU 69 HG LEU 69 5.923 7.978 -0.149
464 HD11 LEU 69 1HD1 LEU 69 6.752 9.132 -2.806
465 HD12 LEU 69 2HD1 LEU 69 5.729 7.715 -2.559
466 HD13 LEU 69 3HD1 LEU 69 7.420 7.682 -2.056
467 HD21 LEU 69 3HD2 LEU 69 6.987 9.970 0.816
468 HD22 LEU 69 1HD2 LEU 69 7.546 10.441 -0.788
469 HD23 LEU 69 2HD2 LEU 69 8.145 8.957 -0.045
470 H ASP 70 H ASP 70 2.175 9.390 -0.434
471 HA ASP 70 HA ASP 70 0.592 11.691 0.286
472 HB2 ASP 70 2HB ASP 70 1.590 12.252 -1.976
473 HB3 ASP 70 1HB ASP 70 0.683 10.889 -2.628
474 H THR 71 H THR 71 -1.533 11.180 0.527
475 HA THR 71 HA THR 71 -2.247 8.362 0.078
476 HB THR 71 HB THR 71 -3.562 10.312 1.982
477 HG1 THR 71 1HG THR 71 -2.282 9.338 3.592
478 HG21 THR 71 3HG2 THR 71 -4.456 8.293 3.025
479 HG22 THR 71 1HG2 THR 71 -3.631 7.295 1.826
480 HG23 THR 71 2HG2 THR 71 -4.931 8.378 1.328
481 H GLU 72 H GLU 72 -3.500 8.089 -1.680
482 HA GLU 72 HA GLU 72 -5.468 10.174 -2.293
483 HB2 GLU 72 2HB GLU 72 -4.833 10.029 -4.692
484 HB3 GLU 72 1HB GLU 72 -3.574 10.704 -3.667
485 HG2 GLU 72 2HG GLU 72 -2.527 8.425 -3.624
486 HG3 GLU 72 1HG GLU 72 -3.694 7.946 -4.854
487 HA PRO 73 HA PRO 73 -7.935 6.551 -3.301
488 HB2 PRO 73 2HB PRO 73 -10.183 8.290 -3.653
489 HB3 PRO 73 1HB PRO 73 -9.853 7.214 -2.295
490 HG2 PRO 73 2HG PRO 73 -9.856 9.980 -2.163
491 HG3 PRO 73 1HG PRO 73 -9.059 8.905 -1.003
492 HD2 PRO 73 2HD PRO 73 -7.885 10.446 -3.278
493 HD3 PRO 73 1HD PRO 73 -7.204 10.095 -1.674
494 H ALA 74 H ALA 74 -8.189 5.735 -5.323
495 HA ALA 74 HA ALA 74 -8.102 7.679 -7.536
496 HB1 ALA 74 1HB ALA 74 -6.913 6.016 -8.840
497 HB2 ALA 74 2HB ALA 74 -7.026 4.868 -7.505
498 HB3 ALA 74 3HB ALA 74 -6.067 6.337 -7.327
499 H ASP 75 H ASP 75 -8.886 6.668 -9.650
500 HA ASP 75 HA ASP 75 -11.349 5.130 -9.144
501 HB2 ASP 75 2HB ASP 75 -12.487 6.394 -10.854
502 HB3 ASP 75 1HB ASP 75 -11.783 7.535 -9.714
503 H GLY 76 H GLY 76 -12.158 4.430 -11.551
504 HA2 GLY 76 2HA GLY 76 -9.814 3.180 -12.841
505 HA3 GLY 76 1HA GLY 76 -11.289 2.281 -12.514
506 H ASP 77 H ASP 77 -9.984 5.028 -14.322
507 HA ASP 77 HA ASP 77 -12.277 5.044 -16.107
508 HB2 ASP 77 2HB ASP 77 -11.103 7.156 -15.494
509 HB3 ASP 77 1HB ASP 77 -9.670 6.568 -16.332
510 H GLY 78 H GLY 78 -8.780 4.495 -16.420
511 HA2 GLY 78 2HA GLY 78 -7.842 2.618 -17.516
512 HA3 GLY 78 1HA GLY 78 -9.351 2.407 -18.390
513 H GLY 79 H GLY 79 -9.520 5.232 -19.158
514 HA2 GLY 79 2HA GLY 79 -7.908 5.049 -21.539
515 HA3 GLY 79 1HA GLY 79 -9.027 6.343 -21.127
516 H LEU 80 H LEU 80 -5.754 5.230 -20.971
517 HA LEU 80 HA LEU 80 -4.893 7.376 -19.241
518 HB2 LEU 80 2HB LEU 80 -3.294 5.354 -20.812
519 HB3 LEU 80 1HB LEU 80 -2.631 6.474 -19.637
520 HG LEU 80 HG LEU 80 -4.608 4.273 -19.025
521 HD11 LEU 80 1HD1 LEU 80 -2.728 3.206 -17.881
522 HD12 LEU 80 2HD1 LEU 80 -1.657 4.489 -18.442
523 HD13 LEU 80 3HD1 LEU 80 -2.410 3.397 -19.604
524 HD21 LEU 80 3HD2 LEU 80 -3.148 6.195 -17.217
525 HD22 LEU 80 1HD2 LEU 80 -4.116 4.823 -16.679
526 HD23 LEU 80 2HD2 LEU 80 -4.883 6.163 -17.532
527 H GLU 81 H GLU 81 -5.373 9.266 -20.313
528 HA GLU 81 HA GLU 81 -3.381 10.177 -22.136
529 HB2 GLU 81 2HB GLU 81 -4.902 9.038 -23.733
530 HB3 GLU 81 1HB GLU 81 -6.223 10.059 -23.174
531 HG2 GLU 81 2HG GLU 81 -5.008 12.039 -23.947
532 HG3 GLU 81 1HG GLU 81 -3.703 11.008 -24.525
Start of MODEL 10
1 H1 GLY 1 1HT GLY 1 7.744 4.475 17.899
2 H2 GLY 1 2HT GLY 1 8.731 3.112 18.121
3 H3 GLY 1 3HT GLY 1 7.314 2.993 17.196
4 HA2 GLY 1 1HA GLY 1 8.220 4.473 15.534
5 HA3 GLY 1 2HA GLY 1 9.684 4.632 16.496
6 H ALA 2 H ALA 2 7.625 1.987 15.271
7 HA ALA 2 HA ALA 2 10.090 0.547 14.558
8 HB1 ALA 2 1HB ALA 2 8.749 -1.479 14.578
9 HB2 ALA 2 2HB ALA 2 7.297 -0.535 14.916
10 HB3 ALA 2 3HB ALA 2 8.592 -0.620 16.111
11 H MET 3 H MET 3 10.425 -0.186 12.487
12 HA MET 3 HA MET 3 8.799 1.048 10.423
13 HB2 MET 3 2HB MET 3 11.307 -0.631 10.276
14 HB3 MET 3 1HB MET 3 10.461 -0.032 8.859
15 HG2 MET 3 2HG MET 3 12.196 1.478 9.191
16 HG3 MET 3 1HG MET 3 10.776 2.288 9.846
17 HE1 MET 3 3HE MET 3 13.036 -0.580 11.357
18 HE2 MET 3 1HE MET 3 14.131 0.368 12.363
19 HE3 MET 3 2HE MET 3 14.176 0.537 10.608
20 H ALA 4 H ALA 4 8.047 -0.263 8.555
21 HA ALA 4 HA ALA 4 6.554 -2.506 9.571
22 HB1 ALA 4 1HB ALA 4 5.490 -0.854 8.103
23 HB2 ALA 4 2HB ALA 4 5.407 -2.482 7.429
24 HB3 ALA 4 3HB ALA 4 6.578 -1.326 6.797
25 H PHE 5 H PHE 5 8.573 -3.744 9.978
26 HA PHE 5 HA PHE 5 9.060 -5.446 7.641
27 HB2 PHE 5 2HB PHE 5 11.186 -4.412 9.526
28 HB3 PHE 5 1HB PHE 5 11.436 -5.748 8.407
29 HD1 PHE 5 2HD PHE 5 10.950 -5.234 5.891
30 HD2 PHE 5 1HD PHE 5 11.654 -2.256 8.858
31 HE1 PHE 5 2HE PHE 5 11.572 -3.633 4.134
32 HE2 PHE 5 1HE PHE 5 12.273 -0.652 7.099
33 HZ PHE 5 HZ PHE 5 12.234 -1.340 4.737
34 H ASP 6 H ASP 6 7.685 -6.984 8.383
35 HA ASP 6 HA ASP 6 8.780 -8.729 10.425
36 HB2 ASP 6 2HB ASP 6 7.242 -7.364 11.737
37 HB3 ASP 6 1HB ASP 6 5.953 -7.640 10.570
38 H GLY 7 H GLY 7 5.531 -8.633 9.028
39 HA2 GLY 7 2HA GLY 7 4.698 -9.641 7.128
40 HA3 GLY 7 1HA GLY 7 6.311 -10.218 6.756
41 H GLU 8 H GLU 8 3.480 -11.404 6.933
42 HA GLU 8 HA GLU 8 3.909 -13.665 8.676
43 HB2 GLU 8 2HB GLU 8 1.638 -12.786 8.113
44 HB3 GLU 8 1HB GLU 8 1.893 -13.286 6.448
45 HG2 GLU 8 2HG GLU 8 2.004 -15.600 7.119
46 HG3 GLU 8 1HG GLU 8 1.871 -15.138 8.816
47 H ASP 9 H ASP 9 4.713 -15.650 8.069
48 HA ASP 9 HA ASP 9 6.494 -15.504 5.812
49 HB2 ASP 9 2HB ASP 9 6.070 -17.577 7.956
50 HB3 ASP 9 1HB ASP 9 7.226 -17.789 6.646
51 H GLU 10 H GLU 10 3.344 -16.273 5.908
52 HA GLU 10 HA GLU 10 3.631 -18.417 3.914
53 HB2 GLU 10 2HB GLU 10 1.243 -17.744 5.628
54 HB3 GLU 10 1HB GLU 10 1.306 -19.030 4.430
55 HG2 GLU 10 2HG GLU 10 3.226 -19.994 5.754
56 HG3 GLU 10 1HG GLU 10 2.815 -18.832 7.015
57 H VAL 11 H VAL 11 3.367 -15.222 3.889
58 HA VAL 11 HA VAL 11 1.208 -14.983 1.962
59 HB VAL 11 HB VAL 11 1.797 -12.632 1.795
60 HG11 VAL 11 1HG1 VAL 11 0.377 -13.337 3.649
61 HG12 VAL 11 2HG1 VAL 11 1.378 -11.957 4.101
62 HG13 VAL 11 3HG1 VAL 11 1.807 -13.574 4.659
63 HG21 VAL 11 3HG2 VAL 11 3.624 -11.669 3.129
64 HG22 VAL 11 1HG2 VAL 11 4.223 -12.797 1.912
65 HG23 VAL 11 2HG2 VAL 11 4.124 -13.294 3.602
66 H THR 12 H THR 12 1.597 -14.105 -0.221
67 HA THR 12 HA THR 12 3.946 -15.412 -1.351
68 HB THR 12 HB THR 12 2.761 -14.875 -3.562
69 HG1 THR 12 1HG THR 12 0.345 -14.794 -3.006
70 HG21 THR 12 3HG2 THR 12 1.278 -16.813 -3.333
71 HG22 THR 12 1HG2 THR 12 1.449 -16.735 -1.579
72 HG23 THR 12 2HG2 THR 12 2.847 -17.112 -2.585
73 H GLY 13 H GLY 13 2.614 -12.233 -0.833
74 HA2 GLY 13 2HA GLY 13 4.731 -11.015 -2.455
75 HA3 GLY 13 1HA GLY 13 3.409 -10.168 -1.661
76 HA PRO 14 HA PRO 14 7.322 -11.232 1.203
77 HB2 PRO 14 2HB PRO 14 9.341 -9.667 0.113
78 HB3 PRO 14 1HB PRO 14 9.199 -11.419 -0.056
79 HG2 PRO 14 2HG PRO 14 8.401 -9.260 -1.958
80 HG3 PRO 14 1HG PRO 14 9.124 -10.845 -2.292
81 HD2 PRO 14 2HD PRO 14 6.512 -10.388 -2.688
82 HD3 PRO 14 1HD PRO 14 7.102 -11.953 -2.092
83 H ASP 15 H ASP 15 7.318 -8.110 -0.542
84 HA ASP 15 HA ASP 15 7.401 -6.702 2.006
85 HB2 ASP 15 2HB ASP 15 7.482 -4.664 0.448
86 HB3 ASP 15 1HB ASP 15 8.861 -5.757 0.421
87 H ALA 16 H ALA 16 5.088 -7.935 0.003
88 HA ALA 16 HA ALA 16 3.148 -5.890 -0.071
89 HB1 ALA 16 1HB ALA 16 1.598 -7.650 -0.716
90 HB2 ALA 16 2HB ALA 16 2.773 -8.873 -0.229
91 HB3 ALA 16 3HB ALA 16 3.125 -7.803 -1.585
92 H ASP 17 H ASP 17 3.699 -8.572 2.166
93 HA ASP 17 HA ASP 17 1.341 -8.532 3.596
94 HB2 ASP 17 2HB ASP 17 3.010 -10.266 3.911
95 HB3 ASP 17 1HB ASP 17 4.134 -9.099 4.597
96 H ARG 18 H ARG 18 4.329 -6.782 4.474
97 HA ARG 18 HA ARG 18 3.079 -5.640 6.759
98 HB2 ARG 18 2HB ARG 18 5.179 -4.162 6.792
99 HB3 ARG 18 1HB ARG 18 5.351 -5.885 7.068
100 HG2 ARG 18 2HG ARG 18 5.667 -4.912 4.291
101 HG3 ARG 18 1HG ARG 18 6.945 -4.534 5.446
102 HD2 ARG 18 2HD ARG 18 6.800 -7.060 6.037
103 HD3 ARG 18 1HD ARG 18 5.992 -7.201 4.477
104 HE ARG 18 HE ARG 18 8.200 -5.843 3.824
105 HH11 ARG 18 1HH1 ARG 18 7.713 -8.782 5.668
106 HH12 ARG 18 2HH1 ARG 18 9.305 -9.403 5.347
107 HH21 ARG 18 1HH2 ARG 18 10.303 -6.675 3.388
108 HH22 ARG 18 2HH2 ARG 18 10.758 -8.217 4.041
109 H ALA 19 H ALA 19 3.552 -4.517 3.481
110 HA ALA 19 HA ALA 19 2.954 -1.787 4.013
111 HB1 ALA 19 1HB ALA 19 4.120 -2.438 1.987
112 HB2 ALA 19 2HB ALA 19 2.624 -1.589 1.592
113 HB3 ALA 19 3HB ALA 19 2.708 -3.344 1.443
114 H ARG 20 H ARG 20 1.026 -4.588 3.090
115 HA ARG 20 HA ARG 20 -1.410 -3.087 2.913
116 HB2 ARG 20 2HB ARG 20 -1.893 -4.887 1.686
117 HB3 ARG 20 1HB ARG 20 -0.518 -5.764 2.328
118 HG2 ARG 20 2HG ARG 20 -3.022 -5.585 3.942
119 HG3 ARG 20 1HG ARG 20 -2.932 -6.703 2.580
120 HD2 ARG 20 2HD ARG 20 -0.879 -7.673 3.569
121 HD3 ARG 20 1HD ARG 20 -1.079 -6.606 4.959
122 HE ARG 20 HE ARG 20 -3.456 -7.997 4.722
123 HH11 ARG 20 1HH1 ARG 20 -0.087 -8.781 5.198
124 HH12 ARG 20 2HH1 ARG 20 -0.399 -10.232 6.088
125 HH21 ARG 20 1HH2 ARG 20 -3.900 -9.892 5.936
126 HH22 ARG 20 2HH2 ARG 20 -2.574 -10.866 6.522
127 H ALA 21 H ALA 21 0.337 -4.708 5.435
128 HA ALA 21 HA ALA 21 -1.846 -4.890 7.277
129 HB1 ALA 21 1HB ALA 21 0.133 -6.331 7.451
130 HB2 ALA 21 2HB ALA 21 -0.157 -5.431 8.939
131 HB3 ALA 21 3HB ALA 21 1.121 -4.919 7.836
132 H ALA 22 H ALA 22 0.598 -2.485 6.540
133 HA ALA 22 HA ALA 22 0.074 -0.818 8.789
134 HB1 ALA 22 1HB ALA 22 2.186 -0.738 7.548
135 HB2 ALA 22 2HB ALA 22 1.414 0.846 7.631
136 HB3 ALA 22 3HB ALA 22 1.332 -0.098 6.144
137 H ALA 23 H ALA 23 -1.392 -1.229 5.686
138 HA ALA 23 HA ALA 23 -2.697 1.297 5.535
139 HB1 ALA 23 1HB ALA 23 -2.256 -0.062 3.560
140 HB2 ALA 23 2HB ALA 23 -3.976 0.301 3.720
141 HB3 ALA 23 3HB ALA 23 -3.366 -1.296 4.155
142 H VAL 24 H VAL 24 -3.359 -1.633 7.213
143 HA VAL 24 HA VAL 24 -6.167 -1.507 7.378
144 HB VAL 24 HB VAL 24 -4.241 -2.710 9.382
145 HG11 VAL 24 1HG1 VAL 24 -6.119 -4.145 10.018
146 HG12 VAL 24 2HG1 VAL 24 -7.165 -3.271 8.898
147 HG13 VAL 24 3HG1 VAL 24 -6.482 -2.442 10.296
148 HG21 VAL 24 3HG2 VAL 24 -5.585 -3.942 6.978
149 HG22 VAL 24 1HG2 VAL 24 -4.646 -4.818 8.189
150 HG23 VAL 24 2HG2 VAL 24 -3.862 -3.615 7.168
151 H GLN 25 H GLN 25 -3.681 0.249 9.026
152 HA GLN 25 HA GLN 25 -5.357 1.056 11.224
153 HB2 GLN 25 2HB GLN 25 -2.630 1.942 10.296
154 HB3 GLN 25 1HB GLN 25 -3.449 2.680 11.661
155 HG2 GLN 25 2HG GLN 25 -1.892 1.076 12.483
156 HG3 GLN 25 1HG GLN 25 -3.521 0.466 12.764
157 HE21 GLN 25 1HE2 GLN 25 -0.629 0.143 10.840
158 HE22 GLN 25 2HE2 GLN 25 -0.957 -1.460 10.266
159 H ALA 26 H ALA 26 -5.041 1.998 8.010
160 HA ALA 26 HA ALA 26 -5.903 4.752 8.564
161 HB1 ALA 26 1HB ALA 26 -5.251 5.261 6.276
162 HB2 ALA 26 2HB ALA 26 -4.845 3.568 5.999
163 HB3 ALA 26 3HB ALA 26 -3.915 4.520 7.156
164 H VAL 27 H VAL 27 -7.290 1.846 8.024
165 HA VAL 27 HA VAL 27 -9.670 3.119 6.930
166 HB VAL 27 HB VAL 27 -8.615 2.208 4.948
167 HG11 VAL 27 1HG1 VAL 27 -8.672 -0.466 6.335
168 HG12 VAL 27 2HG1 VAL 27 -7.230 0.486 5.979
169 HG13 VAL 27 3HG1 VAL 27 -8.198 -0.176 4.662
170 HG21 VAL 27 3HG2 VAL 27 -11.024 2.144 5.005
171 HG22 VAL 27 1HG2 VAL 27 -10.994 0.588 5.838
172 HG23 VAL 27 2HG2 VAL 27 -10.415 0.711 4.177
173 HA PRO 28 HA PRO 28 -11.186 0.721 10.376
174 HB2 PRO 28 2HB PRO 28 -13.745 1.644 10.253
175 HB3 PRO 28 1HB PRO 28 -12.417 2.555 10.982
176 HG2 PRO 28 2HG PRO 28 -13.645 2.833 8.271
177 HG3 PRO 28 1HG PRO 28 -13.113 4.096 9.397
178 HD2 PRO 28 2HD PRO 28 -11.643 3.320 7.249
179 HD3 PRO 28 1HD PRO 28 -10.914 3.918 8.753
180 H GLY 29 H GLY 29 -11.039 -1.334 9.477
181 HA2 GLY 29 2HA GLY 29 -11.953 -3.350 8.856
182 HA3 GLY 29 1HA GLY 29 -13.532 -2.577 8.919
183 H GLY 30 H GLY 30 -10.737 -1.794 6.877
184 HA2 GLY 30 2HA GLY 30 -12.507 -2.039 4.547
185 HA3 GLY 30 1HA GLY 30 -10.994 -1.145 4.596
186 H THR 31 H THR 31 -11.587 -2.906 2.535
187 HA THR 31 HA THR 31 -10.236 -5.417 3.079
188 HB THR 31 HB THR 31 -11.310 -4.364 0.453
189 HG1 THR 31 1HG THR 31 -13.041 -5.992 1.107
190 HG21 THR 31 3HG2 THR 31 -9.712 -6.190 0.194
191 HG22 THR 31 1HG2 THR 31 -11.344 -6.741 -0.185
192 HG23 THR 31 2HG2 THR 31 -10.609 -7.158 1.363
193 H ALA 32 H ALA 32 -8.091 -5.414 3.128
194 HA ALA 32 HA ALA 32 -6.628 -3.657 1.283
195 HB1 ALA 32 1HB ALA 32 -6.091 -3.295 3.621
196 HB2 ALA 32 2HB ALA 32 -4.700 -3.985 2.781
197 HB3 ALA 32 3HB ALA 32 -5.699 -5.003 3.818
198 H GLY 33 H GLY 33 -5.429 -4.512 -0.313
199 HA2 GLY 33 2HA GLY 33 -5.176 -7.453 -0.368
200 HA3 GLY 33 1HA GLY 33 -5.180 -6.415 -1.791
201 H GLU 34 H GLU 34 -3.183 -8.336 -1.293
202 HA GLU 34 HA GLU 34 -0.901 -7.209 -0.076
203 HB2 GLU 34 2HB GLU 34 -1.269 -9.432 -2.066
204 HB3 GLU 34 1HB GLU 34 0.340 -8.908 -1.577
205 HG2 GLU 34 2HG GLU 34 -0.226 -9.363 0.761
206 HG3 GLU 34 1HG GLU 34 -1.825 -9.902 0.265
207 H VAL 35 H VAL 35 0.772 -6.050 -0.849
208 HA VAL 35 HA VAL 35 -0.019 -4.293 -3.017
209 HB VAL 35 HB VAL 35 1.366 -2.656 -2.098
210 HG11 VAL 35 1HG1 VAL 35 0.303 -4.319 0.171
211 HG12 VAL 35 2HG1 VAL 35 -0.538 -3.035 -0.698
212 HG13 VAL 35 3HG1 VAL 35 0.849 -2.649 0.323
213 HG21 VAL 35 3HG2 VAL 35 2.780 -4.793 -0.508
214 HG22 VAL 35 1HG2 VAL 35 3.120 -3.064 -0.448
215 HG23 VAL 35 2HG2 VAL 35 3.415 -3.971 -1.933
216 H GLU 36 H GLU 36 1.511 -3.532 -4.575
217 HA GLU 36 HA GLU 36 3.496 -5.584 -5.269
218 HB2 GLU 36 2HB GLU 36 2.105 -3.496 -6.958
219 HB3 GLU 36 1HB GLU 36 3.452 -4.467 -7.536
220 HG2 GLU 36 2HG GLU 36 2.110 -6.499 -7.102
221 HG3 GLU 36 1HG GLU 36 0.752 -5.462 -6.664
222 H THR 37 H THR 37 5.592 -5.064 -5.567
223 HA THR 37 HA THR 37 6.577 -2.663 -4.394
224 HB THR 37 HB THR 37 8.322 -4.361 -6.114
225 HG1 THR 37 1HG THR 37 7.303 -5.260 -3.588
226 HG21 THR 37 3HG2 THR 37 9.872 -4.110 -4.269
227 HG22 THR 37 1HG2 THR 37 8.615 -3.375 -3.272
228 HG23 THR 37 2HG2 THR 37 9.217 -2.529 -4.697
229 H GLU 38 H GLU 38 6.207 -0.794 -5.495
230 HA GLU 38 HA GLU 38 6.110 -0.676 -8.346
231 HB2 GLU 38 2HB GLU 38 6.241 1.572 -6.324
232 HB3 GLU 38 1HB GLU 38 5.885 1.762 -8.036
233 HG2 GLU 38 2HG GLU 38 3.916 0.214 -7.653
234 HG3 GLU 38 1HG GLU 38 4.220 0.416 -5.929
235 H THR 39 H THR 39 7.628 0.033 -9.776
236 HA THR 39 HA THR 39 10.273 0.663 -8.660
237 HB THR 39 HB THR 39 10.223 -1.686 -9.436
238 HG1 THR 39 1HG THR 39 12.192 -0.598 -9.590
239 HG21 THR 39 3HG2 THR 39 10.054 -2.177 -11.834
240 HG22 THR 39 1HG2 THR 39 9.662 -0.487 -12.151
241 HG23 THR 39 2HG2 THR 39 8.556 -1.485 -11.210
242 H GLY 40 H GLY 40 11.638 1.952 -10.023
243 HA2 GLY 40 2HA GLY 40 12.004 3.283 -11.976
244 HA3 GLY 40 1HA GLY 40 10.265 3.304 -12.242
245 H GLU 41 H GLU 41 10.055 3.774 -9.207
246 HA GLU 41 HA GLU 41 10.213 6.686 -9.418
247 HB2 GLU 41 2HB GLU 41 8.206 5.064 -8.533
248 HB3 GLU 41 1HB GLU 41 9.005 5.452 -7.018
249 HG2 GLU 41 2HG GLU 41 7.939 7.452 -8.999
250 HG3 GLU 41 1HG GLU 41 7.148 6.964 -7.503
251 H GLY 42 H GLY 42 11.109 7.924 -7.632
252 HA2 GLY 42 2HA GLY 42 13.529 6.664 -6.623
253 HA3 GLY 42 1HA GLY 42 13.123 8.370 -6.529
254 H ALA 43 H ALA 43 10.471 7.824 -5.358
255 HA ALA 43 HA ALA 43 11.404 7.163 -2.642
256 HB1 ALA 43 1HB ALA 43 10.744 9.496 -2.879
257 HB2 ALA 43 2HB ALA 43 9.639 8.634 -1.807
258 HB3 ALA 43 3HB ALA 43 9.156 9.000 -3.464
259 H ALA 44 H ALA 44 8.515 7.060 -4.724
260 HA ALA 44 HA ALA 44 7.081 5.291 -3.031
261 HB1 ALA 44 1HB ALA 44 6.676 5.852 -5.968
262 HB2 ALA 44 2HB ALA 44 5.965 6.761 -4.633
263 HB3 ALA 44 3HB ALA 44 5.518 5.074 -4.888
264 H ALA 45 H ALA 45 7.988 3.404 -2.536
265 HA ALA 45 HA ALA 45 9.048 1.751 -4.729
266 HB1 ALA 45 1HB ALA 45 9.641 1.508 -1.785
267 HB2 ALA 45 2HB ALA 45 10.646 2.377 -2.945
268 HB3 ALA 45 3HB ALA 45 10.423 0.635 -3.102
269 H TYR 46 H TYR 46 6.484 2.044 -2.559
270 HA TYR 46 HA TYR 46 5.645 -0.717 -3.117
271 HB2 TYR 46 2HB TYR 46 5.165 0.615 -0.447
272 HB3 TYR 46 1HB TYR 46 4.878 -1.065 -0.877
273 HD1 TYR 46 2HD TYR 46 7.385 1.409 0.096
274 HD2 TYR 46 1HD TYR 46 6.723 -2.665 -0.933
275 HE1 TYR 46 2HE TYR 46 9.592 0.831 1.002
276 HE2 TYR 46 1HE TYR 46 8.933 -3.255 -0.017
277 HH TYR 46 HH TYR 46 10.794 -1.025 1.847
278 H GLY 47 H GLY 47 3.584 -0.830 -3.851
279 HA2 GLY 47 2HA GLY 47 1.902 1.581 -3.527
280 HA3 GLY 47 1HA GLY 47 1.845 0.513 -4.929
281 H VAL 48 H VAL 48 0.380 1.280 -2.056
282 HA VAL 48 HA VAL 48 -0.573 -1.421 -1.466
283 HB VAL 48 HB VAL 48 -1.164 1.124 0.049
284 HG11 VAL 48 1HG1 VAL 48 -1.692 -0.404 1.895
285 HG12 VAL 48 2HG1 VAL 48 -1.387 -1.774 0.829
286 HG13 VAL 48 3HG1 VAL 48 -2.722 -0.674 0.490
287 HG21 VAL 48 3HG2 VAL 48 0.603 0.437 1.619
288 HG22 VAL 48 1HG2 VAL 48 1.242 0.778 0.010
289 HG23 VAL 48 2HG2 VAL 48 1.029 -0.892 0.538
290 H LEU 49 H LEU 49 -2.569 -2.113 -2.032
291 HA LEU 49 HA LEU 49 -4.417 -0.113 -3.128
292 HB2 LEU 49 2HB LEU 49 -5.590 -2.039 -4.157
293 HB3 LEU 49 1HB LEU 49 -3.939 -1.849 -4.701
294 HG LEU 49 HG LEU 49 -3.809 -3.657 -2.558
295 HD11 LEU 49 1HD1 LEU 49 -5.364 -5.417 -3.259
296 HD12 LEU 49 2HD1 LEU 49 -6.087 -4.305 -4.423
297 HD13 LEU 49 3HD1 LEU 49 -6.209 -3.975 -2.695
298 HD21 LEU 49 3HD2 LEU 49 -3.105 -5.215 -4.285
299 HD22 LEU 49 1HD2 LEU 49 -2.415 -3.618 -4.576
300 HD23 LEU 49 2HD2 LEU 49 -3.792 -4.169 -5.530
301 H VAL 50 H VAL 50 -5.854 0.627 -1.764
302 HA VAL 50 HA VAL 50 -6.874 -1.162 0.348
303 HB VAL 50 HB VAL 50 -6.671 1.855 0.406
304 HG11 VAL 50 1HG1 VAL 50 -8.543 0.977 1.710
305 HG12 VAL 50 2HG1 VAL 50 -7.290 1.657 2.749
306 HG13 VAL 50 3HG1 VAL 50 -7.438 -0.092 2.575
307 HG21 VAL 50 3HG2 VAL 50 -5.020 -0.207 1.861
308 HG22 VAL 50 1HG2 VAL 50 -4.893 1.543 2.039
309 HG23 VAL 50 2HG2 VAL 50 -4.474 0.780 0.505
310 H THR 51 H THR 51 -8.914 -1.758 0.077
311 HA THR 51 HA THR 51 -10.716 -0.025 -1.460
312 HB THR 51 HB THR 51 -11.192 -2.874 -0.559
313 HG1 THR 51 1HG THR 51 -9.400 -2.223 -2.213
314 HG21 THR 51 3HG2 THR 51 -12.545 -1.177 -2.665
315 HG22 THR 51 1HG2 THR 51 -13.224 -1.604 -1.090
316 HG23 THR 51 2HG2 THR 51 -12.925 -2.858 -2.292
317 H ARG 52 H ARG 52 -11.643 1.427 -0.160
318 HA ARG 52 HA ARG 52 -12.115 0.909 2.627
319 HB2 ARG 52 2HB ARG 52 -12.751 3.235 0.820
320 HB3 ARG 52 1HB ARG 52 -13.282 3.184 2.495
321 HG2 ARG 52 2HG ARG 52 -10.926 2.960 3.197
322 HG3 ARG 52 1HG ARG 52 -10.439 3.124 1.508
323 HD2 ARG 52 2HD ARG 52 -11.205 5.341 1.389
324 HD3 ARG 52 1HD ARG 52 -12.142 5.184 2.875
325 HE ARG 52 HE ARG 52 -9.202 5.051 2.942
326 HH11 ARG 52 1HH1 ARG 52 -12.197 6.621 3.847
327 HH12 ARG 52 2HH1 ARG 52 -11.466 7.548 5.129
328 HH21 ARG 52 1HH2 ARG 52 -8.234 6.299 4.600
329 HH22 ARG 52 2HH2 ARG 52 -9.221 7.391 5.526
330 HA PRO 53 HA PRO 53 -16.123 -0.870 2.531
331 HB2 PRO 53 2HB PRO 53 -17.283 0.439 4.674
332 HB3 PRO 53 1HB PRO 53 -16.222 -0.967 4.801
333 HG2 PRO 53 2HG PRO 53 -15.579 1.931 5.142
334 HG3 PRO 53 1HG PRO 53 -15.003 0.535 6.072
335 HD2 PRO 53 2HD PRO 53 -13.463 1.710 4.224
336 HD3 PRO 53 1HD PRO 53 -13.438 -0.050 4.466
337 H ASP 54 H ASP 54 -15.711 2.547 2.348
338 HA ASP 54 HA ASP 54 -18.409 3.280 1.850
339 HB2 ASP 54 2HB ASP 54 -15.869 4.683 0.990
340 HB3 ASP 54 1HB ASP 54 -17.478 5.395 1.049
341 H GLY 55 H GLY 55 -16.087 1.631 -0.018
342 HA2 GLY 55 2HA GLY 55 -16.626 0.578 -2.067
343 HA3 GLY 55 1HA GLY 55 -17.878 1.783 -2.329
344 H THR 56 H THR 56 -14.583 2.543 -1.416
345 HA THR 56 HA THR 56 -14.087 3.534 -4.134
346 HB THR 56 HB THR 56 -14.728 5.456 -2.761
347 HG1 THR 56 1HG THR 56 -13.106 5.775 -4.336
348 HG21 THR 56 3HG2 THR 56 -12.367 4.768 -1.007
349 HG22 THR 56 1HG2 THR 56 -14.059 4.533 -0.565
350 HG23 THR 56 2HG2 THR 56 -13.437 6.161 -0.837
351 H ARG 57 H ARG 57 -11.909 3.552 -4.785
352 HA ARG 57 HA ARG 57 -10.215 1.735 -3.209
353 HB2 ARG 57 2HB ARG 57 -10.882 0.896 -5.425
354 HB3 ARG 57 1HB ARG 57 -10.179 2.321 -6.177
355 HG2 ARG 57 2HG ARG 57 -7.969 1.657 -5.445
356 HG3 ARG 57 1HG ARG 57 -8.647 0.269 -4.591
357 HD2 ARG 57 2HD ARG 57 -9.428 -0.668 -6.691
358 HD3 ARG 57 1HD ARG 57 -8.836 0.745 -7.564
359 HE ARG 57 HE ARG 57 -6.597 -0.117 -6.397
360 HH11 ARG 57 1HH1 ARG 57 -9.082 -1.881 -8.140
361 HH12 ARG 57 2HH1 ARG 57 -7.967 -3.063 -8.763
362 HH21 ARG 57 1HH2 ARG 57 -5.156 -1.694 -7.209
363 HH22 ARG 57 2HH2 ARG 57 -5.757 -2.969 -8.230
364 H VAL 58 H VAL 58 -8.516 2.571 -2.272
365 HA VAL 58 HA VAL 58 -7.325 5.042 -3.368
366 HB VAL 58 HB VAL 58 -7.411 4.176 -0.465
367 HG11 VAL 58 1HG1 VAL 58 -6.376 6.703 -1.743
368 HG12 VAL 58 2HG1 VAL 58 -5.419 5.455 -0.946
369 HG13 VAL 58 3HG1 VAL 58 -6.541 6.440 -0.007
370 HG21 VAL 58 3HG2 VAL 58 -8.944 6.049 -0.119
371 HG22 VAL 58 1HG2 VAL 58 -9.616 4.861 -1.235
372 HG23 VAL 58 2HG2 VAL 58 -8.944 6.370 -1.853
373 H GLU 59 H GLU 59 -5.145 4.954 -3.795
374 HA GLU 59 HA GLU 59 -3.782 2.521 -2.891
375 HB2 GLU 59 2HB GLU 59 -2.177 2.867 -4.734
376 HB3 GLU 59 1HB GLU 59 -3.819 2.603 -5.291
377 HG2 GLU 59 2HG GLU 59 -4.063 4.995 -5.716
378 HG3 GLU 59 1HG GLU 59 -2.418 5.265 -5.135
379 H VAL 60 H VAL 60 -2.248 2.667 -1.471
380 HA VAL 60 HA VAL 60 -1.384 5.320 -0.597
381 HB VAL 60 HB VAL 60 -0.873 2.654 0.734
382 HG11 VAL 60 1HG1 VAL 60 0.653 4.382 1.443
383 HG12 VAL 60 2HG1 VAL 60 -0.492 4.023 2.736
384 HG13 VAL 60 3HG1 VAL 60 -0.695 5.476 1.758
385 HG21 VAL 60 3HG2 VAL 60 -3.087 4.628 1.266
386 HG22 VAL 60 1HG2 VAL 60 -2.734 3.195 2.229
387 HG23 VAL 60 2HG2 VAL 60 -3.270 3.023 0.557
388 H HIS 61 H HIS 61 0.579 6.062 -1.060
389 HA HIS 61 HA HIS 61 2.486 4.224 -2.316
390 HB2 HIS 61 2HB HIS 61 2.287 7.230 -2.328
391 HB3 HIS 61 1HB HIS 61 3.631 6.348 -3.040
392 HD1 HIS 61 1HD HIS 61 0.143 7.416 -3.709
393 HD2 HIS 61 2HD HIS 61 2.927 4.771 -5.333
394 HE1 HIS 61 1HE HIS 61 -0.745 6.791 -5.972
395 HE2 HIS 61 2HE HIS 61 0.831 5.032 -6.827
396 H LEU 62 H LEU 62 4.203 3.557 -1.283
397 HA LEU 62 HA LEU 62 4.941 4.898 1.239
398 HB2 LEU 62 2HB LEU 62 4.602 2.092 0.436
399 HB3 LEU 62 1HB LEU 62 6.049 2.407 1.372
400 HG LEU 62 HG LEU 62 4.882 2.841 3.295
401 HD11 LEU 62 1HD1 LEU 62 2.589 3.686 3.397
402 HD12 LEU 62 2HD1 LEU 62 2.486 3.637 1.638
403 HD13 LEU 62 3HD1 LEU 62 3.609 4.747 2.423
404 HD21 LEU 62 3HD2 LEU 62 3.023 1.292 3.496
405 HD22 LEU 62 1HD2 LEU 62 4.348 0.575 2.576
406 HD23 LEU 62 2HD2 LEU 62 2.917 1.181 1.738
407 H ASP 63 H ASP 63 7.122 5.135 1.763
408 HA ASP 63 HA ASP 63 8.892 5.329 -0.541
409 HB2 ASP 63 2HB ASP 63 8.810 7.266 0.895
410 HB3 ASP 63 1HB ASP 63 9.110 6.287 2.323
411 H ARG 64 H ARG 64 11.256 4.773 -0.022
412 HA ARG 64 HA ARG 64 11.708 2.106 -0.090
413 HB2 ARG 64 2HB ARG 64 13.707 3.757 1.381
414 HB3 ARG 64 1HB ARG 64 13.953 2.593 0.086
415 HG2 ARG 64 2HG ARG 64 13.513 4.126 -1.562
416 HG3 ARG 64 1HG ARG 64 12.536 5.146 -0.500
417 HD2 ARG 64 2HD ARG 64 15.533 4.840 -0.500
418 HD3 ARG 64 1HD ARG 64 14.601 6.279 -0.918
419 HE ARG 64 HE ARG 64 14.521 5.147 1.802
420 HH11 ARG 64 1HH1 ARG 64 14.983 7.876 -0.345
421 HH12 ARG 64 2HH1 ARG 64 15.251 8.998 0.953
422 HH21 ARG 64 1HH2 ARG 64 14.853 6.602 3.487
423 HH22 ARG 64 2HH2 ARG 64 15.183 8.278 3.128
424 H ASP 65 H ASP 65 11.918 4.119 2.840
425 HA ASP 65 HA ASP 65 12.484 1.794 4.492
426 HB2 ASP 65 2HB ASP 65 12.127 4.697 5.281
427 HB3 ASP 65 1HB ASP 65 12.749 3.415 6.312
428 H PHE 66 H PHE 66 9.810 2.389 3.155
429 HA PHE 66 HA PHE 66 7.625 2.023 3.551
430 HB2 PHE 66 2HB PHE 66 8.870 0.787 5.928
431 HB3 PHE 66 1HB PHE 66 7.152 1.163 6.057
432 HD1 PHE 66 2HD PHE 66 5.716 0.439 4.000
433 HD2 PHE 66 1HD PHE 66 9.483 -1.250 5.025
434 HE1 PHE 66 2HE PHE 66 5.158 -1.570 2.711
435 HE2 PHE 66 1HE PHE 66 8.930 -3.269 3.727
436 HZ PHE 66 HZ PHE 66 6.759 -3.423 2.574
437 H ARG 67 H ARG 67 8.930 4.581 4.184
438 HA ARG 67 HA ARG 67 7.261 5.742 6.232
439 HB2 ARG 67 2HB ARG 67 9.553 6.615 5.617
440 HB3 ARG 67 1HB ARG 67 8.865 7.172 4.099
441 HG2 ARG 67 2HG ARG 67 8.935 9.033 5.562
442 HG3 ARG 67 1HG ARG 67 7.243 8.538 5.442
443 HD2 ARG 67 2HD ARG 67 7.603 7.208 7.549
444 HD3 ARG 67 1HD ARG 67 9.169 8.005 7.693
445 HE ARG 67 HE ARG 67 6.585 9.431 7.723
446 HH11 ARG 67 1HH1 ARG 67 9.907 9.072 8.780
447 HH12 ARG 67 2HH1 ARG 67 9.810 10.361 9.942
448 HH21 ARG 67 1HH2 ARG 67 6.458 11.152 9.214
449 HH22 ARG 67 2HH2 ARG 67 7.846 11.552 10.182
450 H VAL 68 H VAL 68 5.200 6.362 5.922
451 HA VAL 68 HA VAL 68 3.897 6.036 3.448
452 HB VAL 68 HB VAL 68 2.654 5.846 5.528
453 HG11 VAL 68 1HG1 VAL 68 3.812 7.505 6.860
454 HG12 VAL 68 2HG1 VAL 68 2.074 7.815 6.866
455 HG13 VAL 68 3HG1 VAL 68 3.142 8.799 5.867
456 HG21 VAL 68 3HG2 VAL 68 1.683 8.131 3.817
457 HG22 VAL 68 1HG2 VAL 68 0.689 7.220 4.954
458 HG23 VAL 68 2HG2 VAL 68 1.385 6.414 3.548
459 H LEU 69 H LEU 69 3.846 7.289 1.723
460 HA LEU 69 HA LEU 69 4.979 9.956 1.876
461 HB2 LEU 69 2HB LEU 69 4.025 8.332 -0.482
462 HB3 LEU 69 1HB LEU 69 4.764 9.919 -0.596
463 HG LEU 69 HG LEU 69 6.111 7.444 0.489
464 HD11 LEU 69 1HD1 LEU 69 7.437 7.533 -1.552
465 HD12 LEU 69 2HD1 LEU 69 6.501 8.918 -2.112
466 HD13 LEU 69 3HD1 LEU 69 5.723 7.346 -1.925
467 HD21 LEU 69 3HD2 LEU 69 8.130 8.793 0.511
468 HD22 LEU 69 1HD2 LEU 69 6.895 9.536 1.528
469 HD23 LEU 69 2HD2 LEU 69 7.229 10.191 -0.075
470 H ASP 70 H ASP 70 1.996 8.507 0.551
471 HA ASP 70 HA ASP 70 0.320 10.542 1.579
472 HB2 ASP 70 2HB ASP 70 1.640 11.656 -0.406
473 HB3 ASP 70 1HB ASP 70 0.527 10.737 -1.412
474 H THR 71 H THR 71 -1.871 10.449 0.221
475 HA THR 71 HA THR 71 -2.400 7.694 -0.600
476 HB THR 71 HB THR 71 -4.507 7.766 0.843
477 HG1 THR 71 1HG THR 71 -3.565 10.171 1.415
478 HG21 THR 71 3HG2 THR 71 -2.603 6.316 1.365
479 HG22 THR 71 1HG2 THR 71 -3.358 6.936 2.832
480 HG23 THR 71 2HG2 THR 71 -1.843 7.634 2.257
481 H GLU 72 H GLU 72 -3.175 8.022 -2.600
482 HA GLU 72 HA GLU 72 -5.296 10.040 -2.912
483 HB2 GLU 72 2HB GLU 72 -4.668 9.975 -5.384
484 HB3 GLU 72 1HB GLU 72 -3.549 10.785 -4.298
485 HG2 GLU 72 2HG GLU 72 -3.099 7.916 -4.943
486 HG3 GLU 72 1HG GLU 72 -2.710 9.135 -6.155
487 HA PRO 73 HA PRO 73 -7.885 6.545 -3.866
488 HB2 PRO 73 2HB PRO 73 -10.114 7.952 -4.504
489 HB3 PRO 73 1HB PRO 73 -9.582 7.705 -2.837
490 HG2 PRO 73 2HG PRO 73 -9.259 10.095 -4.603
491 HG3 PRO 73 1HG PRO 73 -9.643 10.019 -2.874
492 HD2 PRO 73 2HD PRO 73 -7.147 10.565 -3.855
493 HD3 PRO 73 1HD PRO 73 -7.441 9.829 -2.269
494 H ALA 74 H ALA 74 -7.164 5.616 -5.715
495 HA ALA 74 HA ALA 74 -7.830 6.962 -8.240
496 HB1 ALA 74 1HB ALA 74 -5.531 5.083 -7.724
497 HB2 ALA 74 2HB ALA 74 -5.417 6.836 -7.893
498 HB3 ALA 74 3HB ALA 74 -5.924 5.848 -9.264
499 H ASP 75 H ASP 75 -9.816 6.019 -8.493
500 HA ASP 75 HA ASP 75 -10.037 3.122 -8.569
501 HB2 ASP 75 2HB ASP 75 -11.914 4.377 -7.642
502 HB3 ASP 75 1HB ASP 75 -12.058 5.312 -9.126
503 H GLY 76 H GLY 76 -10.051 1.931 -10.387
504 HA2 GLY 76 2HA GLY 76 -8.751 2.864 -12.660
505 HA3 GLY 76 1HA GLY 76 -9.657 1.365 -12.563
506 H ASP 77 H ASP 77 -9.496 4.450 -13.915
507 HA ASP 77 HA ASP 77 -12.302 4.505 -14.714
508 HB2 ASP 77 2HB ASP 77 -11.298 6.645 -14.161
509 HB3 ASP 77 1HB ASP 77 -9.978 6.358 -15.288
510 H GLY 78 H GLY 78 -9.091 3.999 -16.057
511 HA2 GLY 78 2HA GLY 78 -9.440 2.105 -17.853
512 HA3 GLY 78 1HA GLY 78 -10.233 3.434 -18.687
513 H GLY 79 H GLY 79 -9.028 5.112 -19.522
514 HA2 GLY 79 2HA GLY 79 -6.370 5.704 -18.977
515 HA3 GLY 79 1HA GLY 79 -6.357 4.519 -20.277
516 H LEU 80 H LEU 80 -5.383 6.212 -21.566
517 HA LEU 80 HA LEU 80 -6.997 8.469 -22.327
518 HB2 LEU 80 2HB LEU 80 -5.248 9.019 -23.878
519 HB3 LEU 80 1HB LEU 80 -4.517 8.567 -22.353
520 HG LEU 80 HG LEU 80 -4.746 6.636 -24.657
521 HD11 LEU 80 1HD1 LEU 80 -2.392 7.204 -25.151
522 HD12 LEU 80 2HD1 LEU 80 -2.509 8.551 -24.018
523 HD13 LEU 80 3HD1 LEU 80 -3.508 8.532 -25.471
524 HD21 LEU 80 3HD2 LEU 80 -2.923 5.487 -23.519
525 HD22 LEU 80 1HD2 LEU 80 -4.316 5.658 -22.450
526 HD23 LEU 80 2HD2 LEU 80 -2.917 6.717 -22.255
527 H GLU 81 H GLU 81 -7.766 8.819 -24.527
528 HA GLU 81 HA GLU 81 -8.167 6.472 -26.181
529 HB2 GLU 81 2HB GLU 81 -9.970 6.669 -24.251
530 HB3 GLU 81 1HB GLU 81 -10.660 7.891 -25.307
531 HG2 GLU 81 2HG GLU 81 -10.087 5.077 -26.195
532 HG3 GLU 81 1HG GLU 81 -11.624 5.586 -25.504