Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
561692 | 2m6o RC | 19148 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 H1 GLN 28 HT1 GLN 28 -8.809 5.369 -7.448
2 H2 GLN 28 HT2 GLN 28 -8.355 5.970 -5.931
3 H3 GLN 28 HT3 GLN 28 -9.994 5.850 -6.341
4 HA GLN 28 HA GLN 28 -9.281 4.089 -4.824
5 HB2 GLN 28 HB2 GLN 28 -10.101 3.212 -7.602
6 HB3 GLN 28 HB1 GLN 28 -10.198 2.202 -6.167
7 HG2 GLN 28 HG2 GLN 28 -11.758 3.825 -5.166
8 HG3 GLN 28 HG1 GLN 28 -11.697 4.765 -6.656
9 HE21 GLN 28 HE21 GLN 28 -13.892 4.523 -7.011
10 HE22 GLN 28 HE22 GLN 28 -14.587 3.027 -7.534
11 H ALA 29 HN ALA 29 -6.893 4.453 -4.730
12 HA ALA 29 HA ALA 29 -5.589 2.074 -5.820
13 HB1 ALA 29 HB1 ALA 29 -3.584 3.318 -6.411
14 HB2 ALA 29 HB2 ALA 29 -4.345 4.826 -5.902
15 HB3 ALA 29 HB3 ALA 29 -4.971 3.949 -7.299
16 H VAL 30 HN VAL 30 -4.143 1.137 -4.402
17 HA VAL 30 HA VAL 30 -4.259 2.082 -1.670
18 HB VAL 30 HB VAL 30 -3.109 0.065 -1.048
19 HG11 VAL 30 HG11 VAL 30 -5.456 -0.216 -1.506
20 HG12 VAL 30 HG12 VAL 30 -4.581 -1.658 -2.021
21 HG13 VAL 30 HG13 VAL 30 -5.124 -0.481 -3.216
22 HG21 VAL 30 HG21 VAL 30 -2.642 -0.404 -3.984
23 HG22 VAL 30 HG22 VAL 30 -2.253 -1.530 -2.685
24 HG23 VAL 30 HG23 VAL 30 -1.419 0.020 -2.788
25 H GLU 31 HN GLU 31 -2.441 2.664 -0.399
26 HA GLU 31 HA GLU 31 -0.167 3.626 -2.005
27 HB2 GLU 31 HB2 GLU 31 -1.740 5.402 -1.244
28 HB3 GLU 31 HB1 GLU 31 -1.369 4.955 0.412
29 HG2 GLU 31 HG2 GLU 31 0.981 5.554 0.029
30 HG3 GLU 31 HG1 GLU 31 0.571 6.049 -1.613
31 H TYR 32 HN TYR 32 1.678 2.798 -1.445
32 HA TYR 32 HA TYR 32 2.030 1.746 1.287
33 HB2 TYR 32 HB2 TYR 32 3.227 0.842 -1.333
34 HB3 TYR 32 HB1 TYR 32 3.868 0.338 0.225
35 HD1 TYR 32 HD1 TYR 32 2.535 -1.115 1.700
36 HD2 TYR 32 HD2 TYR 32 1.205 -0.102 -2.211
37 HE1 TYR 32 HE1 TYR 32 0.935 -2.978 1.768
38 HE2 TYR 32 HE2 TYR 32 -0.403 -1.964 -2.155
39 HH TYR 32 HH TYR 32 -1.099 -3.692 0.746
40 H ALA 33 HN ALA 33 3.819 2.335 2.440
41 HA ALA 33 HA ALA 33 5.629 4.267 1.149
42 HB1 ALA 33 HB1 ALA 33 4.070 5.354 2.715
43 HB2 ALA 33 HB2 ALA 33 5.753 5.503 3.216
44 HB3 ALA 33 HB3 ALA 33 4.696 4.336 4.013
45 H CYS 34 HN CYS 34 7.655 3.552 1.063
46 HA CYS 34 HA CYS 34 8.426 1.243 2.637
47 HB2 CYS 34 HB2 CYS 34 10.455 1.272 1.256
48 HB3 CYS 34 HB1 CYS 34 9.007 1.344 0.258
49 H GLU 35 HN GLU 35 10.486 1.193 3.800
50 HA GLU 35 HA GLU 35 10.765 3.455 5.515
51 HB2 GLU 35 HB2 GLU 35 12.630 2.103 6.533
52 HB3 GLU 35 HB1 GLU 35 11.052 1.336 6.523
53 HG2 GLU 35 HG2 GLU 35 12.347 -0.408 5.870
54 HG3 GLU 35 HG1 GLU 35 11.937 0.271 4.298
55 H LYS 36 HN LYS 36 11.851 2.932 2.473
56 HA LYS 36 HA LYS 36 14.363 4.300 2.601
57 HB2 LYS 36 HB2 LYS 36 12.442 3.793 0.337
58 HB3 LYS 36 HB1 LYS 36 13.986 4.595 0.126
59 HG2 LYS 36 HG2 LYS 36 13.696 1.817 1.231
60 HG3 LYS 36 HG1 LYS 36 13.937 2.174 -0.479
61 HD2 LYS 36 HD2 LYS 36 15.999 3.480 0.254
62 HD3 LYS 36 HD1 LYS 36 15.805 2.683 1.817
63 HE2 LYS 36 HE2 LYS 36 15.953 0.508 0.733
64 HE3 LYS 36 HE1 LYS 36 16.099 1.291 -0.836
65 HZ1 LYS 36 HZ1 LYS 36 18.038 1.514 1.401
66 HZ2 LYS 36 HZ2 LYS 36 18.175 2.296 -0.089
67 HZ3 LYS 36 HZ3 LYS 36 18.251 0.610 -0.011
68 H GLY 37 HN GLY 37 11.047 5.137 2.643
69 HA2 GLY 37 HA2 GLY 37 10.383 7.289 3.467
70 HA3 GLY 37 HA1 GLY 37 11.777 7.985 2.652
71 H HIS 38 HN HIS 38 10.374 5.709 0.647
72 HA HIS 38 HA HIS 38 9.079 7.876 -0.854
73 HB2 HIS 38 HB2 HIS 38 11.014 6.458 -1.814
74 HB3 HIS 38 HB1 HIS 38 9.814 5.179 -1.968
75 HD2 HIS 38 HD2 HIS 38 8.195 5.337 -4.137
76 HE1 HIS 38 HE1 HIS 38 9.519 9.131 -5.458
77 HE2 HIS 38 HE2 HIS 38 8.269 7.028 -6.103
78 H ARG 39 HN ARG 39 6.995 7.693 -1.603
79 HA ARG 39 HA ARG 39 5.474 5.353 -0.649
80 HB2 ARG 39 HB2 ARG 39 4.469 8.142 -1.205
81 HB3 ARG 39 HB1 ARG 39 3.479 6.788 -0.702
82 HG2 ARG 39 HG2 ARG 39 4.755 6.674 1.403
83 HG3 ARG 39 HG1 ARG 39 5.654 8.106 0.901
84 HD2 ARG 39 HD2 ARG 39 3.674 9.434 0.895
85 HD3 ARG 39 HD1 ARG 39 2.657 8.016 1.133
86 HE ARG 39 HE ARG 39 4.595 8.776 3.204
87 HH11 ARG 39 HH11 ARG 39 1.284 8.323 2.141
88 HH12 ARG 39 HH12 ARG 39 0.616 8.501 3.736
89 HH21 ARG 39 HH21 ARG 39 3.720 8.988 5.308
90 HH22 ARG 39 HH22 ARG 39 2.000 8.897 5.533
91 H PHE 40 HN PHE 40 4.058 4.370 -2.058
92 HA PHE 40 HA PHE 40 3.882 5.351 -4.790
93 HB2 PHE 40 HB2 PHE 40 4.526 3.145 -5.737
94 HB3 PHE 40 HB1 PHE 40 5.855 3.962 -4.926
95 HD1 PHE 40 HD2 PHE 40 6.486 3.194 -2.590
96 HD2 PHE 40 HD1 PHE 40 3.874 0.994 -5.133
97 HE1 PHE 40 HE2 PHE 40 6.902 1.167 -1.261
98 HE2 PHE 40 HE1 PHE 40 4.289 -1.036 -3.808
99 HZ PHE 40 HZ PHE 40 5.804 -0.951 -1.871
100 H GLU 41 HN GLU 41 2.209 4.364 -6.021
101 HA GLU 41 HA GLU 41 0.156 3.139 -4.316
102 HB2 GLU 41 HB2 GLU 41 -1.485 4.078 -5.931
103 HB3 GLU 41 HB1 GLU 41 -0.550 5.310 -5.095
104 HG2 GLU 41 HG2 GLU 41 0.887 5.547 -7.056
105 HG3 GLU 41 HG1 GLU 41 -0.060 4.319 -7.895
106 H MET 42 HN MET 42 -0.957 1.360 -5.046
107 HA MET 42 HA MET 42 -0.182 0.232 -7.638
108 HB2 MET 42 HB2 MET 42 -0.045 -1.225 -4.987
109 HB3 MET 42 HB1 MET 42 -0.005 -2.036 -6.549
110 HG2 MET 42 HG2 MET 42 2.009 -0.587 -7.084
111 HG3 MET 42 HG1 MET 42 2.029 -0.167 -5.373
112 HE1 MET 42 HE1 MET 42 2.281 -2.019 -3.425
113 HE2 MET 42 HE2 MET 42 2.543 -3.734 -3.749
114 HE3 MET 42 HE3 MET 42 0.996 -2.986 -4.144
115 HA PRO 43 HA PRO 43 -4.501 -0.631 -7.767
116 HB2 PRO 43 HB2 PRO 43 -4.614 -2.474 -9.723
117 HB3 PRO 43 HB1 PRO 43 -4.184 -0.791 -10.045
118 HG2 PRO 43 HG2 PRO 43 -2.417 -3.187 -9.806
119 HG3 PRO 43 HG1 PRO 43 -2.310 -1.821 -10.931
120 HD2 PRO 43 HD2 PRO 43 -0.794 -2.085 -8.640
121 HD3 PRO 43 HD1 PRO 43 -1.143 -0.544 -9.444
122 H PHE 44 HN PHE 44 -5.601 -1.671 -6.266
123 HA PHE 44 HA PHE 44 -5.304 -4.593 -6.054
124 HB2 PHE 44 HB2 PHE 44 -5.293 -2.558 -3.876
125 HB3 PHE 44 HB1 PHE 44 -6.181 -4.050 -3.577
126 HD1 PHE 44 HD1 PHE 44 -2.863 -2.600 -4.216
127 HD2 PHE 44 HD2 PHE 44 -5.052 -6.120 -3.259
128 HE1 PHE 44 HE1 PHE 44 -0.769 -3.735 -3.610
129 HE2 PHE 44 HE2 PHE 44 -2.959 -7.259 -2.647
130 HZ PHE 44 HZ PHE 44 -0.813 -6.066 -2.822
131 H SER 45 HN SER 45 -7.375 -5.322 -4.637
132 HA SER 45 HA SER 45 -9.689 -4.348 -6.064
133 HB2 SER 45 HB2 SER 45 -9.340 -6.776 -5.490
134 HB3 SER 45 HB1 SER 45 -9.550 -6.326 -3.800
135 HG SER 45 HG SER 45 -11.474 -5.911 -5.849
136 H VAL 46 HN VAL 46 -11.301 -3.107 -5.220
137 HA VAL 46 HA VAL 46 -10.538 -1.492 -2.962
138 HB VAL 46 HB VAL 46 -11.590 -0.706 -5.160
139 HG11 VAL 46 HG11 VAL 46 -14.083 -1.605 -3.740
140 HG12 VAL 46 HG12 VAL 46 -13.467 -2.183 -5.287
141 HG13 VAL 46 HG13 VAL 46 -14.053 -0.529 -5.136
142 HG21 VAL 46 HG21 VAL 46 -11.175 0.796 -3.316
143 HG22 VAL 46 HG22 VAL 46 -12.672 0.291 -2.534
144 HG23 VAL 46 HG23 VAL 46 -12.728 1.174 -4.058
145 H GLU 47 HN GLU 47 -12.154 -4.349 -3.321
146 HA GLU 47 HA GLU 47 -13.712 -3.948 -0.855
147 HB2 GLU 47 HB2 GLU 47 -14.033 -5.982 -3.062
148 HB3 GLU 47 HB1 GLU 47 -14.956 -5.992 -1.566
149 HG2 GLU 47 HG2 GLU 47 -15.955 -3.874 -2.117
150 HG3 GLU 47 HG1 GLU 47 -14.946 -3.738 -3.556
151 H ALA 48 HN ALA 48 -10.778 -4.728 -1.474
152 HA ALA 48 HA ALA 48 -10.695 -7.350 -0.167
153 HB1 ALA 48 HB1 ALA 48 -8.278 -7.304 -0.817
154 HB2 ALA 48 HB2 ALA 48 -8.588 -5.784 -1.661
155 HB3 ALA 48 HB3 ALA 48 -9.401 -7.264 -2.173
156 H GLU 49 HN GLU 49 -9.168 -7.699 1.554
157 HA GLU 49 HA GLU 49 -8.910 -5.425 3.336
158 HB2 GLU 49 HB2 GLU 49 -9.598 -7.752 4.096
159 HB3 GLU 49 HB1 GLU 49 -7.940 -8.249 3.792
160 HG2 GLU 49 HG2 GLU 49 -8.164 -7.792 6.114
161 HG3 GLU 49 HG1 GLU 49 -7.188 -6.512 5.394
162 H ILE 50 HN ILE 50 -7.388 -4.122 2.435
163 HA ILE 50 HA ILE 50 -5.166 -4.943 0.971
164 HB ILE 50 HB ILE 50 -5.305 -2.362 2.524
165 HG12 ILE 50 HG12 ILE 50 -7.431 -2.612 1.368
166 HG13 ILE 50 HG11 ILE 50 -6.454 -1.406 0.540
167 HG21 ILE 50 HG21 ILE 50 -3.964 -1.469 0.723
168 HG22 ILE 50 HG22 ILE 50 -4.062 -3.001 -0.148
169 HG23 ILE 50 HG23 ILE 50 -3.182 -2.911 1.377
170 HD11 ILE 50 HD11 ILE 50 -5.844 -3.082 -1.142
171 HD12 ILE 50 HD12 ILE 50 -7.587 -2.825 -1.053
172 HD13 ILE 50 HD13 ILE 50 -6.868 -4.260 -0.321
173 HA PRO 51 HA PRO 51 -2.539 -6.702 4.138
174 HB2 PRO 51 HB2 PRO 51 -0.503 -6.052 2.061
175 HB3 PRO 51 HB1 PRO 51 -0.784 -7.568 2.924
176 HG2 PRO 51 HG2 PRO 51 -1.554 -7.287 0.396
177 HG3 PRO 51 HG1 PRO 51 -2.557 -8.172 1.558
178 HD2 PRO 51 HD2 PRO 51 -2.921 -5.436 0.432
179 HD3 PRO 51 HD1 PRO 51 -4.138 -6.649 0.875
180 HA PRO 52 HA PRO 52 -1.259 -2.846 5.983
181 HB2 PRO 52 HB2 PRO 52 0.167 -4.547 7.918
182 HB3 PRO 52 HB1 PRO 52 -1.131 -3.381 8.189
183 HG2 PRO 52 HG2 PRO 52 -1.558 -6.020 8.371
184 HG3 PRO 52 HG1 PRO 52 -2.788 -4.919 7.723
185 HD2 PRO 52 HD2 PRO 52 -0.912 -6.741 6.258
186 HD3 PRO 52 HD1 PRO 52 -2.629 -6.406 5.954
187 H GLU 53 HN GLU 53 0.923 -5.336 4.958
188 HA GLU 53 HA GLU 53 2.899 -3.272 4.424
189 HB2 GLU 53 HB2 GLU 53 4.768 -4.617 5.254
190 HB3 GLU 53 HB1 GLU 53 3.655 -4.209 6.549
191 HG2 GLU 53 HG2 GLU 53 3.584 -6.850 5.121
192 HG3 GLU 53 HG1 GLU 53 4.591 -6.553 6.537
193 H TRP 54 HN TRP 54 4.265 -3.722 2.709
194 HA TRP 54 HA TRP 54 3.891 -6.206 1.229
195 HB2 TRP 54 HB2 TRP 54 2.191 -4.416 0.491
196 HB3 TRP 54 HB1 TRP 54 3.577 -3.548 -0.155
197 HD1 TRP 54 HD1 TRP 54 4.696 -4.507 -2.381
198 HE1 TRP 54 HE1 TRP 54 3.874 -6.203 -4.141
199 HE3 TRP 54 HE3 TRP 54 0.834 -6.589 0.243
200 HZ2 TRP 54 HZ2 TRP 54 1.854 -8.150 -4.379
201 HZ3 TRP 54 HZ3 TRP 54 -0.492 -8.362 -0.829
202 HH2 TRP 54 HH2 TRP 54 0.007 -9.123 -3.091
203 H GLU 55 HN GLU 55 5.590 -6.446 -0.438
204 HA GLU 55 HA GLU 55 8.102 -5.413 0.375
205 HB2 GLU 55 HB2 GLU 55 7.919 -7.576 -0.735
206 HB3 GLU 55 HB1 GLU 55 7.286 -6.810 -2.182
207 HG2 GLU 55 HG2 GLU 55 9.412 -5.646 -2.495
208 HG3 GLU 55 HG1 GLU 55 10.046 -6.423 -1.045
209 H CYS 56 HN CYS 56 9.379 -3.816 -0.510
210 HA CYS 56 HA CYS 56 7.987 -1.680 -1.838
211 HB2 CYS 56 HB2 CYS 56 9.526 -0.959 -0.208
212 HB3 CYS 56 HB1 CYS 56 10.784 -2.038 -0.792
213 H LYS 57 HN LYS 57 7.582 -1.849 -3.926
214 HA LYS 57 HA LYS 57 9.261 -3.272 -5.756
215 HB2 LYS 57 HB2 LYS 57 6.737 -1.706 -5.945
216 HB3 LYS 57 HB1 LYS 57 7.670 -1.919 -7.415
217 HG2 LYS 57 HG2 LYS 57 5.960 -3.602 -7.283
218 HG3 LYS 57 HG1 LYS 57 7.541 -4.358 -7.121
219 HD2 LYS 57 HD2 LYS 57 6.079 -3.584 -4.647
220 HD3 LYS 57 HD1 LYS 57 5.529 -5.002 -5.539
221 HE2 LYS 57 HE2 LYS 57 8.347 -4.556 -4.544
222 HE3 LYS 57 HE1 LYS 57 7.135 -5.548 -3.739
223 HZ1 LYS 57 HZ1 LYS 57 8.303 -6.021 -6.428
224 HZ2 LYS 57 HZ2 LYS 57 7.037 -6.924 -5.765
225 HZ3 LYS 57 HZ3 LYS 57 8.564 -6.945 -5.029
226 H VAL 58 HN VAL 58 9.444 -0.194 -4.410
227 HA VAL 58 HA VAL 58 10.262 1.201 -6.795
228 HB VAL 58 HB VAL 58 10.294 2.098 -3.911
229 HG11 VAL 58 HG11 VAL 58 11.906 3.349 -5.254
230 HG12 VAL 58 HG12 VAL 58 10.533 4.363 -4.812
231 HG13 VAL 58 HG13 VAL 58 10.653 3.703 -6.443
232 HG21 VAL 58 HG21 VAL 58 8.350 2.678 -6.141
233 HG22 VAL 58 HG22 VAL 58 8.287 3.349 -4.511
234 HG23 VAL 58 HG23 VAL 58 8.055 1.619 -4.763
235 H CYS 59 HN CYS 59 11.919 0.463 -3.692
236 HA CYS 59 HA CYS 59 14.429 0.732 -5.207
237 HB2 CYS 59 HB2 CYS 59 14.007 2.745 -3.869
238 HB3 CYS 59 HB1 CYS 59 13.915 1.766 -2.409
239 H GLY 60 HN GLY 60 12.883 -0.719 -2.356
240 HA2 GLY 60 HA2 GLY 60 13.555 -3.191 -2.281
241 HA3 GLY 60 HA1 GLY 60 15.187 -2.551 -2.176
242 H ALA 61 HN ALA 61 12.222 -3.120 -0.524
243 HA ALA 61 HA ALA 61 13.325 -3.148 2.048
244 HB1 ALA 61 HB1 ALA 61 12.427 -1.124 3.022
245 HB2 ALA 61 HB2 ALA 61 11.739 -0.641 1.473
246 HB3 ALA 61 HB3 ALA 61 13.489 -0.692 1.682
247 H GLN 62 HN GLN 62 11.388 -2.913 3.725
248 HA GLN 62 HA GLN 62 9.004 -4.117 2.528
249 HB2 GLN 62 HB2 GLN 62 9.902 -5.238 4.530
250 HB3 GLN 62 HB1 GLN 62 9.728 -3.746 5.447
251 HG2 GLN 62 HG2 GLN 62 7.332 -3.823 5.204
252 HG3 GLN 62 HG1 GLN 62 7.449 -5.241 4.162
253 HE21 GLN 62 HE21 GLN 62 7.656 -4.035 7.407
254 HE22 GLN 62 HE22 GLN 62 7.652 -5.574 8.194
255 H ALA 63 HN ALA 63 7.287 -2.915 2.124
256 HA ALA 63 HA ALA 63 7.320 -0.145 3.080
257 HB1 ALA 63 HB1 ALA 63 7.351 -0.498 0.639
258 HB2 ALA 63 HB2 ALA 63 5.922 0.384 1.179
259 HB3 ALA 63 HB3 ALA 63 5.797 -1.326 0.761
260 H LEU 64 HN LEU 64 5.828 0.568 4.430
261 HA LEU 64 HA LEU 64 3.766 -1.249 5.333
262 HB2 LEU 64 HB2 LEU 64 4.545 1.525 6.233
263 HB3 LEU 64 HB1 LEU 64 3.251 0.591 6.955
264 HG LEU 64 HG LEU 64 6.175 -0.158 6.942
265 HD11 LEU 64 HD11 LEU 64 6.016 0.209 9.362
266 HD12 LEU 64 HD12 LEU 64 4.357 0.773 9.158
267 HD13 LEU 64 HD13 LEU 64 5.690 1.681 8.447
268 HD21 LEU 64 HD21 LEU 64 4.827 -2.154 6.840
269 HD22 LEU 64 HD22 LEU 64 3.780 -1.554 8.124
270 HD23 LEU 64 HD23 LEU 64 5.457 -1.966 8.476
271 H LEU 65 HN LEU 65 1.660 -1.077 4.975
272 HA LEU 65 HA LEU 65 0.777 0.587 2.802
273 HB2 LEU 65 HB2 LEU 65 0.084 -1.783 3.128
274 HB3 LEU 65 HB1 LEU 65 -0.748 -1.307 4.592
275 HG LEU 65 HG LEU 65 -2.150 -1.688 2.497
276 HD11 LEU 65 HD11 LEU 65 -3.701 0.087 3.059
277 HD12 LEU 65 HD12 LEU 65 -2.433 0.924 3.954
278 HD13 LEU 65 HD13 LEU 65 -3.018 -0.642 4.512
279 HD21 LEU 65 HD21 LEU 65 -1.041 1.022 1.814
280 HD22 LEU 65 HD22 LEU 65 -2.388 0.224 1.002
281 HD23 LEU 65 HD23 LEU 65 -0.769 -0.473 0.921
282 H VAL 66 HN VAL 66 -0.330 2.458 2.957
283 HA VAL 66 HA VAL 66 -0.999 3.368 5.676
284 HB VAL 66 HB VAL 66 -0.644 5.626 5.004
285 HG11 VAL 66 HG11 VAL 66 1.693 5.646 4.353
286 HG12 VAL 66 HG12 VAL 66 1.570 3.985 3.774
287 HG13 VAL 66 HG13 VAL 66 1.391 4.333 5.492
288 HG21 VAL 66 HG21 VAL 66 -0.284 4.628 2.183
289 HG22 VAL 66 HG22 VAL 66 -0.071 6.293 2.724
290 HG23 VAL 66 HG23 VAL 66 -1.663 5.540 2.796
291 H ASP 67 HN ASP 67 -2.986 4.275 6.082
292 HA ASP 67 HA ASP 67 -5.177 4.815 5.861
293 HB2 ASP 67 HB2 ASP 67 -4.443 5.097 2.946
294 HB3 ASP 67 HB1 ASP 67 -5.997 5.561 3.621
295 H GLY 68 HN GLY 68 -4.340 2.038 5.733
296 HA2 GLY 68 HA2 GLY 68 -6.032 0.740 3.781
297 HA3 GLY 68 HA1 GLY 68 -5.028 -0.050 4.985
298 H ASP 69 HN ASP 69 -7.836 2.119 4.951
299 HA ASP 69 HA ASP 69 -8.984 0.973 7.301
300 HB2 ASP 69 HB2 ASP 69 -9.434 3.287 6.659
301 HB3 ASP 69 HB1 ASP 69 -10.181 2.749 5.162
302 H GLY 70 HN GLY 70 -9.078 0.264 3.949
303 HA2 GLY 70 HA2 GLY 70 -10.032 -2.242 3.946
304 HA3 GLY 70 HA1 GLY 70 -11.514 -1.294 4.037
305 HA PRO 71 HA PRO 71 -11.308 -0.527 -0.367
306 HB2 PRO 71 HB2 PRO 71 -11.912 2.277 0.160
307 HB3 PRO 71 HB1 PRO 71 -12.818 1.107 -0.784
308 HG2 PRO 71 HG2 PRO 71 -13.691 1.969 1.607
309 HG3 PRO 71 HG1 PRO 71 -13.964 0.311 1.047
310 HD2 PRO 71 HD2 PRO 71 -11.979 1.344 3.024
311 HD3 PRO 71 HD1 PRO 71 -12.898 -0.174 3.033
312 H GLU 72 HN GLU 72 -9.868 0.294 -1.849
313 HA GLU 72 HA GLU 72 -7.271 0.589 -1.090
314 HB2 GLU 72 HB2 GLU 72 -8.564 1.733 -3.566
315 HB3 GLU 72 HB1 GLU 72 -6.839 1.484 -3.352
316 HG2 GLU 72 HG2 GLU 72 -7.169 -0.902 -3.226
317 HG3 GLU 72 HG1 GLU 72 -8.913 -0.686 -3.332
318 H GLU 73 HN GLU 73 -9.292 3.297 -2.191
319 HA GLU 73 HA GLU 73 -7.315 5.104 -0.983
320 HB2 GLU 73 HB2 GLU 73 -7.880 5.162 -3.494
321 HB3 GLU 73 HB1 GLU 73 -9.404 5.881 -3.004
322 HG2 GLU 73 HG2 GLU 73 -8.167 7.702 -1.913
323 HG3 GLU 73 HG1 GLU 73 -6.658 6.989 -2.482
324 H LYS 74 HN LYS 74 -9.318 3.767 0.545
325 HA LYS 74 HA LYS 74 -11.573 5.338 1.090
326 HB2 LYS 74 HB2 LYS 74 -11.300 3.068 1.970
327 HB3 LYS 74 HB1 LYS 74 -9.953 3.599 2.964
328 HG2 LYS 74 HG2 LYS 74 -11.938 3.365 4.311
329 HG3 LYS 74 HG1 LYS 74 -11.473 5.063 4.218
330 HD2 LYS 74 HD2 LYS 74 -13.181 5.450 2.523
331 HD3 LYS 74 HD1 LYS 74 -13.623 3.743 2.564
332 HE2 LYS 74 HE2 LYS 74 -13.808 5.645 4.896
333 HE3 LYS 74 HE1 LYS 74 -15.160 5.157 3.876
334 HZ1 LYS 74 HZ1 LYS 74 -14.880 2.895 4.600
335 HZ2 LYS 74 HZ2 LYS 74 -15.032 3.890 5.953
336 HZ3 LYS 74 HZ3 LYS 74 -13.509 3.294 5.511
337 H LYS 75 HN LYS 75 -8.444 5.230 2.757
338 HA LYS 75 HA LYS 75 -7.407 6.693 4.170
339 HB2 LYS 75 HB2 LYS 75 -8.463 8.567 2.051
340 HB3 LYS 75 HB1 LYS 75 -7.281 9.033 3.266
341 HG2 LYS 75 HG2 LYS 75 -5.709 7.404 2.415
342 HG3 LYS 75 HG1 LYS 75 -6.901 6.828 1.250
343 HD2 LYS 75 HD2 LYS 75 -6.856 8.911 0.075
344 HD3 LYS 75 HD1 LYS 75 -5.867 9.658 1.331
345 HE2 LYS 75 HE2 LYS 75 -4.951 7.286 -0.284
346 HE3 LYS 75 HE1 LYS 75 -4.654 8.952 -0.778
347 HZ1 LYS 75 HZ1 LYS 75 -3.434 9.319 1.256
348 HZ2 LYS 75 HZ2 LYS 75 -2.769 8.003 0.423
349 HZ3 LYS 75 HZ3 LYS 75 -3.749 7.742 1.789
Start of MODEL 2
1 H1 GLN 28 HT1 GLN 28 -10.117 6.096 -6.129
2 H2 GLN 28 HT2 GLN 28 -8.935 5.661 -7.257
3 H3 GLN 28 HT3 GLN 28 -8.478 6.226 -5.728
4 HA GLN 28 HA GLN 28 -9.383 4.301 -4.668
5 HB2 GLN 28 HB2 GLN 28 -10.195 3.513 -7.470
6 HB3 GLN 28 HB1 GLN 28 -10.227 2.425 -6.089
7 HG2 GLN 28 HG2 GLN 28 -11.834 3.905 -4.976
8 HG3 GLN 28 HG1 GLN 28 -11.823 4.956 -6.392
9 HE21 GLN 28 HE21 GLN 28 -14.008 3.444 -5.156
10 HE22 GLN 28 HE22 GLN 28 -14.643 2.432 -6.407
11 H ALA 29 HN ALA 29 -7.029 4.627 -4.482
12 HA ALA 29 HA ALA 29 -5.696 2.309 -5.660
13 HB1 ALA 29 HB1 ALA 29 -5.006 4.185 -7.055
14 HB2 ALA 29 HB2 ALA 29 -3.654 3.610 -6.080
15 HB3 ALA 29 HB3 ALA 29 -4.509 5.083 -5.623
16 H VAL 30 HN VAL 30 -4.271 1.310 -4.241
17 HA VAL 30 HA VAL 30 -4.303 2.318 -1.513
18 HB VAL 30 HB VAL 30 -3.455 0.242 -0.796
19 HG11 VAL 30 HG11 VAL 30 -4.880 -1.454 -1.892
20 HG12 VAL 30 HG12 VAL 30 -5.245 -0.284 -3.159
21 HG13 VAL 30 HG13 VAL 30 -5.740 0.032 -1.496
22 HG21 VAL 30 HG21 VAL 30 -1.582 0.077 -2.355
23 HG22 VAL 30 HG22 VAL 30 -2.695 -0.412 -3.634
24 HG23 VAL 30 HG23 VAL 30 -2.464 -1.444 -2.222
25 H GLU 31 HN GLU 31 -2.443 2.910 -0.362
26 HA GLU 31 HA GLU 31 -0.120 3.495 -2.071
27 HB2 GLU 31 HB2 GLU 31 -1.462 5.500 -1.449
28 HB3 GLU 31 HB1 GLU 31 -1.122 5.156 0.240
29 HG2 GLU 31 HG2 GLU 31 1.262 5.458 -0.171
30 HG3 GLU 31 HG1 GLU 31 0.929 5.791 -1.871
31 H TYR 32 HN TYR 32 1.734 2.728 -1.435
32 HA TYR 32 HA TYR 32 2.004 1.746 1.333
33 HB2 TYR 32 HB2 TYR 32 3.149 0.703 -1.254
34 HB3 TYR 32 HB1 TYR 32 3.848 0.277 0.302
35 HD1 TYR 32 HD1 TYR 32 2.432 -1.006 1.963
36 HD2 TYR 32 HD2 TYR 32 1.208 -0.353 -2.058
37 HE1 TYR 32 HE1 TYR 32 0.798 -2.832 2.171
38 HE2 TYR 32 HE2 TYR 32 -0.432 -2.171 -1.857
39 HH TYR 32 HH TYR 32 -0.895 -4.095 -0.578
40 H ALA 33 HN ALA 33 3.758 2.391 2.509
41 HA ALA 33 HA ALA 33 5.621 4.243 1.171
42 HB1 ALA 33 HB1 ALA 33 4.166 5.385 2.755
43 HB2 ALA 33 HB2 ALA 33 5.843 5.414 3.299
44 HB3 ALA 33 HB3 ALA 33 4.696 4.295 4.039
45 H CYS 34 HN CYS 34 7.671 3.529 1.067
46 HA CYS 34 HA CYS 34 8.327 1.052 2.376
47 HB2 CYS 34 HB2 CYS 34 10.313 1.050 1.035
48 HB3 CYS 34 HB1 CYS 34 8.960 1.549 0.027
49 H GLU 35 HN GLU 35 10.588 0.796 3.284
50 HA GLU 35 HA GLU 35 10.919 2.375 5.590
51 HB2 GLU 35 HB2 GLU 35 12.909 0.548 4.232
52 HB3 GLU 35 HB1 GLU 35 13.024 1.140 5.882
53 HG2 GLU 35 HG2 GLU 35 11.049 -0.082 6.508
54 HG3 GLU 35 HG1 GLU 35 10.794 -0.587 4.838
55 H LYS 36 HN LYS 36 11.978 2.797 2.358
56 HA LYS 36 HA LYS 36 14.189 4.549 3.027
57 HB2 LYS 36 HB2 LYS 36 13.135 3.257 0.597
58 HB3 LYS 36 HB1 LYS 36 13.860 4.837 0.345
59 HG2 LYS 36 HG2 LYS 36 15.449 3.001 0.013
60 HG3 LYS 36 HG1 LYS 36 15.936 4.079 1.319
61 HD2 LYS 36 HD2 LYS 36 15.024 2.473 2.953
62 HD3 LYS 36 HD1 LYS 36 14.605 1.386 1.626
63 HE2 LYS 36 HE2 LYS 36 16.917 1.133 1.028
64 HE3 LYS 36 HE1 LYS 36 17.399 2.366 2.191
65 HZ1 LYS 36 HZ1 LYS 36 16.238 -0.295 2.827
66 HZ2 LYS 36 HZ2 LYS 36 16.588 0.902 3.969
67 HZ3 LYS 36 HZ3 LYS 36 17.837 0.195 3.078
68 H GLY 37 HN GLY 37 10.944 4.891 3.031
69 HA2 GLY 37 HA2 GLY 37 9.730 6.821 3.415
70 HA3 GLY 37 HA1 GLY 37 11.169 7.760 3.053
71 H HIS 38 HN HIS 38 9.942 5.343 0.848
72 HA HIS 38 HA HIS 38 9.026 7.525 -0.909
73 HB2 HIS 38 HB2 HIS 38 10.996 5.933 -1.582
74 HB3 HIS 38 HB1 HIS 38 9.710 4.766 -1.890
75 HD2 HIS 38 HD2 HIS 38 7.941 5.462 -3.990
76 HE1 HIS 38 HE1 HIS 38 10.586 8.352 -5.590
77 HE2 HIS 38 HE2 HIS 38 8.635 6.814 -6.090
78 H ARG 39 HN ARG 39 6.907 7.589 -1.361
79 HA ARG 39 HA ARG 39 5.273 5.271 -0.614
80 HB2 ARG 39 HB2 ARG 39 4.371 8.058 -1.335
81 HB3 ARG 39 HB1 ARG 39 3.356 6.762 -0.736
82 HG2 ARG 39 HG2 ARG 39 4.672 6.779 1.371
83 HG3 ARG 39 HG1 ARG 39 5.521 8.205 0.770
84 HD2 ARG 39 HD2 ARG 39 3.461 9.447 0.665
85 HD3 ARG 39 HD1 ARG 39 2.530 8.013 1.086
86 HE ARG 39 HE ARG 39 4.496 9.117 2.974
87 HH11 ARG 39 HH11 ARG 39 1.196 8.244 2.163
88 HH12 ARG 39 HH12 ARG 39 0.607 8.484 3.782
89 HH21 ARG 39 HH21 ARG 39 3.718 9.422 5.108
90 HH22 ARG 39 HH22 ARG 39 2.036 9.158 5.449
91 H PHE 40 HN PHE 40 3.988 4.253 -2.064
92 HA PHE 40 HA PHE 40 3.914 5.191 -4.820
93 HB2 PHE 40 HB2 PHE 40 4.482 2.888 -5.655
94 HB3 PHE 40 HB1 PHE 40 5.825 3.767 -4.939
95 HD1 PHE 40 HD2 PHE 40 6.399 3.206 -2.485
96 HD2 PHE 40 HD1 PHE 40 3.985 0.734 -4.972
97 HE1 PHE 40 HE2 PHE 40 6.870 1.282 -1.029
98 HE2 PHE 40 HE1 PHE 40 4.458 -1.192 -3.520
99 HZ PHE 40 HZ PHE 40 5.901 -0.919 -1.547
100 H GLU 41 HN GLU 41 2.254 4.220 -6.086
101 HA GLU 41 HA GLU 41 0.030 3.327 -4.398
102 HB2 GLU 41 HB2 GLU 41 0.061 4.496 -7.185
103 HB3 GLU 41 HB1 GLU 41 -1.389 3.978 -6.336
104 HG2 GLU 41 HG2 GLU 41 -1.101 5.667 -4.674
105 HG3 GLU 41 HG1 GLU 41 0.479 6.105 -5.326
106 H MET 42 HN MET 42 -0.991 1.452 -4.732
107 HA MET 42 HA MET 42 0.116 -0.326 -6.803
108 HB2 MET 42 HB2 MET 42 -0.457 -0.929 -3.898
109 HB3 MET 42 HB1 MET 42 -0.101 -2.160 -5.100
110 HG2 MET 42 HG2 MET 42 1.786 0.112 -4.632
111 HG3 MET 42 HG1 MET 42 1.796 -1.311 -3.590
112 HE1 MET 42 HE1 MET 42 2.825 -4.180 -5.839
113 HE2 MET 42 HE2 MET 42 1.138 -3.709 -5.638
114 HE3 MET 42 HE3 MET 42 2.244 -3.621 -4.265
115 HA PRO 43 HA PRO 43 -4.153 -1.045 -7.645
116 HB2 PRO 43 HB2 PRO 43 -3.965 -3.158 -9.282
117 HB3 PRO 43 HB1 PRO 43 -3.378 -1.560 -9.756
118 HG2 PRO 43 HG2 PRO 43 -1.850 -3.945 -8.819
119 HG3 PRO 43 HG1 PRO 43 -1.426 -2.755 -10.061
120 HD2 PRO 43 HD2 PRO 43 -0.471 -2.759 -7.452
121 HD3 PRO 43 HD1 PRO 43 -0.470 -1.357 -8.540
122 H PHE 44 HN PHE 44 -5.558 -1.813 -6.239
123 HA PHE 44 HA PHE 44 -5.632 -4.684 -5.724
124 HB2 PHE 44 HB2 PHE 44 -5.461 -2.555 -3.614
125 HB3 PHE 44 HB1 PHE 44 -6.401 -4.013 -3.300
126 HD1 PHE 44 HD2 PHE 44 -5.289 -6.186 -3.112
127 HD2 PHE 44 HD1 PHE 44 -3.070 -2.609 -3.741
128 HE1 PHE 44 HE2 PHE 44 -3.227 -7.352 -2.449
129 HE2 PHE 44 HE1 PHE 44 -1.004 -3.771 -3.082
130 HZ PHE 44 HZ PHE 44 -1.106 -6.188 -2.433
131 H SER 45 HN SER 45 -7.802 -5.007 -4.336
132 HA SER 45 HA SER 45 -9.896 -3.683 -5.865
133 HB2 SER 45 HB2 SER 45 -9.908 -6.165 -5.555
134 HB3 SER 45 HB1 SER 45 -10.106 -5.885 -3.827
135 HG SER 45 HG SER 45 -11.904 -5.286 -5.924
136 H VAL 46 HN VAL 46 -11.479 -2.445 -4.937
137 HA VAL 46 HA VAL 46 -10.733 -1.085 -2.520
138 HB VAL 46 HB VAL 46 -11.738 -0.077 -4.643
139 HG11 VAL 46 HG11 VAL 46 -14.184 0.099 -4.705
140 HG12 VAL 46 HG12 VAL 46 -14.285 -1.051 -3.373
141 HG13 VAL 46 HG13 VAL 46 -13.618 -1.558 -4.925
142 HG21 VAL 46 HG21 VAL 46 -12.821 0.664 -1.934
143 HG22 VAL 46 HG22 VAL 46 -12.949 1.678 -3.370
144 HG23 VAL 46 HG23 VAL 46 -11.363 1.282 -2.711
145 H GLU 47 HN GLU 47 -12.295 -3.914 -3.065
146 HA GLU 47 HA GLU 47 -13.708 -3.718 -0.494
147 HB2 GLU 47 HB2 GLU 47 -14.587 -5.302 -2.914
148 HB3 GLU 47 HB1 GLU 47 -15.360 -5.352 -1.334
149 HG2 GLU 47 HG2 GLU 47 -15.843 -2.943 -1.539
150 HG3 GLU 47 HG1 GLU 47 -15.161 -2.972 -3.162
151 H ALA 48 HN ALA 48 -10.982 -4.656 -1.393
152 HA ALA 48 HA ALA 48 -11.135 -7.439 -0.427
153 HB1 ALA 48 HB1 ALA 48 -8.994 -6.057 -2.057
154 HB2 ALA 48 HB2 ALA 48 -10.105 -7.319 -2.605
155 HB3 ALA 48 HB3 ALA 48 -8.865 -7.694 -1.411
156 H GLU 49 HN GLU 49 -9.106 -8.077 0.849
157 HA GLU 49 HA GLU 49 -8.658 -6.182 2.956
158 HB2 GLU 49 HB2 GLU 49 -8.672 -8.584 3.454
159 HB3 GLU 49 HB1 GLU 49 -7.299 -8.826 2.381
160 HG2 GLU 49 HG2 GLU 49 -5.997 -7.271 3.851
161 HG3 GLU 49 HG1 GLU 49 -7.353 -7.312 4.976
162 H ILE 50 HN ILE 50 -7.304 -4.541 2.792
163 HA ILE 50 HA ILE 50 -5.159 -4.619 0.827
164 HB ILE 50 HB ILE 50 -5.793 -2.338 2.709
165 HG12 ILE 50 HG12 ILE 50 -7.829 -2.839 1.469
166 HG13 ILE 50 HG11 ILE 50 -7.102 -1.367 0.838
167 HG21 ILE 50 HG21 ILE 50 -4.645 -0.986 1.069
168 HG22 ILE 50 HG22 ILE 50 -4.450 -2.382 0.010
169 HG23 ILE 50 HG23 ILE 50 -3.607 -2.326 1.555
170 HD11 ILE 50 HD11 ILE 50 -6.177 -2.649 -1.035
171 HD12 ILE 50 HD12 ILE 50 -7.935 -2.746 -0.958
172 HD13 ILE 50 HD13 ILE 50 -6.952 -4.102 -0.407
173 HA PRO 51 HA PRO 51 -2.639 -6.525 4.031
174 HB2 PRO 51 HB2 PRO 51 -0.558 -5.833 2.010
175 HB3 PRO 51 HB1 PRO 51 -0.853 -7.364 2.843
176 HG2 PRO 51 HG2 PRO 51 -1.574 -7.059 0.309
177 HG3 PRO 51 HG1 PRO 51 -2.618 -7.935 1.445
178 HD2 PRO 51 HD2 PRO 51 -2.897 -5.170 0.352
179 HD3 PRO 51 HD1 PRO 51 -4.150 -6.375 0.713
180 HA PRO 52 HA PRO 52 -1.432 -2.729 6.103
181 HB2 PRO 52 HB2 PRO 52 -0.019 -4.725 7.803
182 HB3 PRO 52 HB1 PRO 52 -1.106 -3.412 8.272
183 HG2 PRO 52 HG2 PRO 52 -1.951 -5.928 8.295
184 HG3 PRO 52 HG1 PRO 52 -3.012 -4.624 7.731
185 HD2 PRO 52 HD2 PRO 52 -1.492 -6.652 6.151
186 HD3 PRO 52 HD1 PRO 52 -3.112 -5.984 5.870
187 H GLU 53 HN GLU 53 0.722 -5.155 4.850
188 HA GLU 53 HA GLU 53 2.715 -3.087 4.432
189 HB2 GLU 53 HB2 GLU 53 4.544 -4.654 5.200
190 HB3 GLU 53 HB1 GLU 53 3.555 -3.955 6.474
191 HG2 GLU 53 HG2 GLU 53 2.268 -6.021 6.608
192 HG3 GLU 53 HG1 GLU 53 3.267 -6.727 5.339
193 H TRP 54 HN TRP 54 4.225 -3.595 2.790
194 HA TRP 54 HA TRP 54 3.774 -5.983 1.206
195 HB2 TRP 54 HB2 TRP 54 2.151 -4.098 0.485
196 HB3 TRP 54 HB1 TRP 54 3.589 -3.311 -0.155
197 HD1 TRP 54 HD1 TRP 54 4.476 -4.131 -2.470
198 HE1 TRP 54 HE1 TRP 54 3.687 -5.903 -4.165
199 HE3 TRP 54 HE3 TRP 54 0.977 -6.502 0.402
200 HZ2 TRP 54 HZ2 TRP 54 1.824 -8.013 -4.268
201 HZ3 TRP 54 HZ3 TRP 54 -0.265 -8.389 -0.574
202 HH2 TRP 54 HH2 TRP 54 0.151 -9.124 -2.861
203 H GLU 55 HN GLU 55 5.477 -6.158 -0.522
204 HA GLU 55 HA GLU 55 7.986 -5.185 0.469
205 HB2 GLU 55 HB2 GLU 55 7.659 -7.432 -0.595
206 HB3 GLU 55 HB1 GLU 55 7.446 -6.613 -2.137
207 HG2 GLU 55 HG2 GLU 55 9.686 -5.730 -2.022
208 HG3 GLU 55 HG1 GLU 55 9.911 -6.440 -0.422
209 H CYS 56 HN CYS 56 9.393 -3.732 -0.512
210 HA CYS 56 HA CYS 56 8.042 -1.624 -1.964
211 HB2 CYS 56 HB2 CYS 56 9.391 -0.783 -0.234
212 HB3 CYS 56 HB1 CYS 56 10.724 -1.862 -0.624
213 H LYS 57 HN LYS 57 7.750 -2.276 -4.003
214 HA LYS 57 HA LYS 57 9.842 -3.391 -5.599
215 HB2 LYS 57 HB2 LYS 57 7.131 -2.284 -6.302
216 HB3 LYS 57 HB1 LYS 57 8.207 -3.060 -7.459
217 HG2 LYS 57 HG2 LYS 57 7.032 -4.350 -5.001
218 HG3 LYS 57 HG1 LYS 57 6.480 -4.590 -6.658
219 HD2 LYS 57 HD2 LYS 57 7.840 -6.395 -6.530
220 HD3 LYS 57 HD1 LYS 57 9.071 -5.211 -6.961
221 HE2 LYS 57 HE2 LYS 57 9.509 -4.899 -4.507
222 HE3 LYS 57 HE1 LYS 57 8.404 -6.236 -4.203
223 HZ1 LYS 57 HZ1 LYS 57 10.615 -7.088 -4.221
224 HZ2 LYS 57 HZ2 LYS 57 10.960 -6.345 -5.705
225 HZ3 LYS 57 HZ3 LYS 57 9.854 -7.622 -5.640
226 H VAL 58 HN VAL 58 9.890 -0.504 -4.336
227 HA VAL 58 HA VAL 58 10.411 1.000 -6.797
228 HB VAL 58 HB VAL 58 10.359 2.048 -3.964
229 HG11 VAL 58 HG11 VAL 58 10.133 4.237 -5.047
230 HG12 VAL 58 HG12 VAL 58 10.287 3.464 -6.625
231 HG13 VAL 58 HG13 VAL 58 11.638 3.432 -5.492
232 HG21 VAL 58 HG21 VAL 58 8.181 2.088 -6.048
233 HG22 VAL 58 HG22 VAL 58 8.138 2.934 -4.499
234 HG23 VAL 58 HG23 VAL 58 8.173 1.170 -4.542
235 H CYS 59 HN CYS 59 11.939 0.586 -3.583
236 HA CYS 59 HA CYS 59 14.492 1.257 -4.886
237 HB2 CYS 59 HB2 CYS 59 13.750 2.839 -3.153
238 HB3 CYS 59 HB1 CYS 59 13.692 1.534 -1.976
239 H GLY 60 HN GLY 60 13.058 -0.878 -2.425
240 HA2 GLY 60 HA2 GLY 60 13.803 -3.281 -2.893
241 HA3 GLY 60 HA1 GLY 60 15.423 -2.622 -2.704
242 H ALA 61 HN ALA 61 12.343 -2.408 -0.939
243 HA ALA 61 HA ALA 61 13.637 -3.358 1.485
244 HB1 ALA 61 HB1 ALA 61 12.972 -1.391 2.790
245 HB2 ALA 61 HB2 ALA 61 12.390 -0.612 1.319
246 HB3 ALA 61 HB3 ALA 61 14.109 -0.957 1.513
247 H GLN 62 HN GLN 62 11.696 -2.807 3.326
248 HA GLN 62 HA GLN 62 9.276 -3.979 2.148
249 HB2 GLN 62 HB2 GLN 62 10.239 -5.064 4.166
250 HB3 GLN 62 HB1 GLN 62 9.967 -3.576 5.064
251 HG2 GLN 62 HG2 GLN 62 7.576 -3.778 4.731
252 HG3 GLN 62 HG1 GLN 62 7.812 -5.229 3.756
253 HE21 GLN 62 HE21 GLN 62 7.856 -3.868 6.937
254 HE22 GLN 62 HE22 GLN 62 7.896 -5.364 7.803
255 H ALA 63 HN ALA 63 7.232 -2.991 2.448
256 HA ALA 63 HA ALA 63 7.372 -0.152 3.207
257 HB1 ALA 63 HB1 ALA 63 5.780 -1.326 0.935
258 HB2 ALA 63 HB2 ALA 63 7.272 -0.401 0.768
259 HB3 ALA 63 HB3 ALA 63 5.821 0.371 1.409
260 H LEU 64 HN LEU 64 5.589 0.736 4.207
261 HA LEU 64 HA LEU 64 3.691 -1.231 5.280
262 HB2 LEU 64 HB2 LEU 64 4.450 1.512 6.285
263 HB3 LEU 64 HB1 LEU 64 3.220 0.494 7.008
264 HG LEU 64 HG LEU 64 6.178 -0.100 6.867
265 HD11 LEU 64 HD11 LEU 64 5.570 1.601 8.510
266 HD12 LEU 64 HD12 LEU 64 6.082 0.107 9.293
267 HD13 LEU 64 HD13 LEU 64 4.368 0.510 9.199
268 HD21 LEU 64 HD21 LEU 64 5.634 -2.067 8.249
269 HD22 LEU 64 HD22 LEU 64 4.925 -2.162 6.637
270 HD23 LEU 64 HD23 LEU 64 3.916 -1.732 8.020
271 H LEU 65 HN LEU 65 1.575 -1.032 4.968
272 HA LEU 65 HA LEU 65 0.635 0.628 2.842
273 HB2 LEU 65 HB2 LEU 65 -0.151 -1.686 3.328
274 HB3 LEU 65 HB1 LEU 65 -0.882 -1.094 4.804
275 HG LEU 65 HG LEU 65 -2.416 -1.501 2.822
276 HD11 LEU 65 HD11 LEU 65 -2.435 1.182 4.175
277 HD12 LEU 65 HD12 LEU 65 -3.189 -0.303 4.753
278 HD13 LEU 65 HD13 LEU 65 -3.790 0.482 3.294
279 HD21 LEU 65 HD21 LEU 65 -2.604 0.275 1.184
280 HD22 LEU 65 HD22 LEU 65 -1.011 -0.476 1.115
281 HD23 LEU 65 HD23 LEU 65 -1.214 1.093 1.894
282 H VAL 66 HN VAL 66 -0.361 2.565 2.962
283 HA VAL 66 HA VAL 66 -0.944 3.572 5.661
284 HB VAL 66 HB VAL 66 -0.583 5.851 4.808
285 HG11 VAL 66 HG11 VAL 66 1.283 4.629 5.825
286 HG12 VAL 66 HG12 VAL 66 1.841 5.741 4.575
287 HG13 VAL 66 HG13 VAL 66 1.745 4.014 4.235
288 HG21 VAL 66 HG21 VAL 66 0.270 4.505 2.246
289 HG22 VAL 66 HG22 VAL 66 0.442 6.221 2.619
290 HG23 VAL 66 HG23 VAL 66 -1.164 5.507 2.463
291 H ASP 67 HN ASP 67 -3.010 3.408 6.062
292 HA ASP 67 HA ASP 67 -5.233 3.818 6.046
293 HB2 ASP 67 HB2 ASP 67 -4.583 5.745 3.812
294 HB3 ASP 67 HB1 ASP 67 -6.111 5.671 4.682
295 H GLY 68 HN GLY 68 -5.655 1.666 5.377
296 HA2 GLY 68 HA2 GLY 68 -7.038 1.560 2.809
297 HA3 GLY 68 HA1 GLY 68 -5.700 0.443 3.010
298 H ASP 69 HN ASP 69 -5.877 -1.265 4.432
299 HA ASP 69 HA ASP 69 -6.868 -2.954 5.561
300 HB2 ASP 69 HB2 ASP 69 -7.584 -1.332 7.222
301 HB3 ASP 69 HB1 ASP 69 -8.983 -0.906 6.241
302 H GLY 70 HN GLY 70 -9.533 -1.119 4.062
303 HA2 GLY 70 HA2 GLY 70 -10.218 -3.577 2.580
304 HA3 GLY 70 HA1 GLY 70 -11.466 -2.618 3.368
305 HA PRO 71 HA PRO 71 -11.600 -0.028 -0.246
306 HB2 PRO 71 HB2 PRO 71 -12.029 2.431 0.772
307 HB3 PRO 71 HB1 PRO 71 -13.272 1.177 0.780
308 HG2 PRO 71 HG2 PRO 71 -11.468 2.074 2.991
309 HG3 PRO 71 HG1 PRO 71 -13.192 1.661 3.048
310 HD2 PRO 71 HD2 PRO 71 -11.214 -0.044 3.830
311 HD3 PRO 71 HD1 PRO 71 -12.775 -0.589 3.185
312 H GLU 72 HN GLU 72 -10.012 0.609 -1.499
313 HA GLU 72 HA GLU 72 -7.393 1.069 -0.713
314 HB2 GLU 72 HB2 GLU 72 -8.697 2.118 -3.229
315 HB3 GLU 72 HB1 GLU 72 -6.983 1.828 -2.985
316 HG2 GLU 72 HG2 GLU 72 -7.383 -0.557 -2.860
317 HG3 GLU 72 HG1 GLU 72 -9.117 -0.287 -3.028
318 H GLU 73 HN GLU 73 -9.867 3.400 -1.646
319 HA GLU 73 HA GLU 73 -8.288 5.534 -0.406
320 HB2 GLU 73 HB2 GLU 73 -7.887 5.440 -2.884
321 HB3 GLU 73 HB1 GLU 73 -9.603 5.730 -3.121
322 HG2 GLU 73 HG2 GLU 73 -9.291 7.863 -1.810
323 HG3 GLU 73 HG1 GLU 73 -7.556 7.583 -1.956
324 H LYS 74 HN LYS 74 -9.896 5.217 1.270
325 HA LYS 74 HA LYS 74 -12.269 6.813 0.766
326 HB2 LYS 74 HB2 LYS 74 -12.979 4.499 0.258
327 HB3 LYS 74 HB1 LYS 74 -12.476 4.009 1.872
328 HG2 LYS 74 HG2 LYS 74 -14.129 5.626 2.799
329 HG3 LYS 74 HG1 LYS 74 -14.701 5.901 1.154
330 HD2 LYS 74 HD2 LYS 74 -15.294 3.557 0.943
331 HD3 LYS 74 HD1 LYS 74 -14.655 3.229 2.554
332 HE2 LYS 74 HE2 LYS 74 -16.977 5.037 1.892
333 HE3 LYS 74 HE1 LYS 74 -17.088 3.422 2.590
334 HZ1 LYS 74 HZ1 LYS 74 -17.291 5.190 4.255
335 HZ2 LYS 74 HZ2 LYS 74 -15.739 5.734 3.877
336 HZ3 LYS 74 HZ3 LYS 74 -15.950 4.202 4.553
337 H LYS 75 HN LYS 75 -10.206 5.044 2.998
338 HA LYS 75 HA LYS 75 -11.447 6.291 5.302
339 HB2 LYS 75 HB2 LYS 75 -10.541 3.921 5.272
340 HB3 LYS 75 HB1 LYS 75 -8.931 4.627 5.255
341 HG2 LYS 75 HG2 LYS 75 -9.713 5.896 7.359
342 HG3 LYS 75 HG1 LYS 75 -10.989 4.683 7.422
343 HD2 LYS 75 HD2 LYS 75 -9.138 3.989 8.813
344 HD3 LYS 75 HD1 LYS 75 -9.263 2.917 7.415
345 HE2 LYS 75 HE2 LYS 75 -6.930 3.647 8.009
346 HE3 LYS 75 HE1 LYS 75 -7.417 3.959 6.344
347 HZ1 LYS 75 HZ1 LYS 75 -6.243 5.840 7.391
348 HZ2 LYS 75 HZ2 LYS 75 -7.497 5.975 8.522
349 HZ3 LYS 75 HZ3 LYS 75 -7.809 6.250 6.877
Start of MODEL 3
1 H1 GLN 28 HT1 GLN 28 -8.996 5.592 -7.445
2 H2 GLN 28 HT2 GLN 28 -8.589 6.192 -5.911
3 H3 GLN 28 HT3 GLN 28 -10.213 6.002 -6.346
4 HA GLN 28 HA GLN 28 -9.474 4.245 -4.853
5 HB2 GLN 28 HB2 GLN 28 -10.085 3.332 -7.670
6 HB3 GLN 28 HB1 GLN 28 -10.269 2.356 -6.222
7 HG2 GLN 28 HG2 GLN 28 -12.018 3.760 -5.412
8 HG3 GLN 28 HG1 GLN 28 -11.745 4.929 -6.702
9 HE21 GLN 28 HE21 GLN 28 -12.427 4.456 -8.783
10 HE22 GLN 28 HE22 GLN 28 -13.571 3.200 -9.113
11 H ALA 29 HN ALA 29 -7.094 4.699 -4.646
12 HA ALA 29 HA ALA 29 -5.664 2.388 -5.727
13 HB1 ALA 29 HB1 ALA 29 -4.522 5.180 -5.746
14 HB2 ALA 29 HB2 ALA 29 -5.064 4.287 -7.167
15 HB3 ALA 29 HB3 ALA 29 -3.685 3.707 -6.235
16 H VAL 30 HN VAL 30 -4.358 1.414 -4.236
17 HA VAL 30 HA VAL 30 -4.478 2.390 -1.523
18 HB VAL 30 HB VAL 30 -3.350 0.365 -0.871
19 HG11 VAL 30 HG11 VAL 30 -4.852 -1.338 -1.778
20 HG12 VAL 30 HG12 VAL 30 -5.329 -0.232 -3.063
21 HG13 VAL 30 HG13 VAL 30 -5.721 0.147 -1.386
22 HG21 VAL 30 HG21 VAL 30 -2.475 -1.243 -2.467
23 HG22 VAL 30 HG22 VAL 30 -1.660 0.313 -2.633
24 HG23 VAL 30 HG23 VAL 30 -2.892 -0.166 -3.800
25 H GLU 31 HN GLU 31 -2.598 2.779 -0.199
26 HA GLU 31 HA GLU 31 -0.347 3.882 -1.751
27 HB2 GLU 31 HB2 GLU 31 -1.664 5.636 -0.705
28 HB3 GLU 31 HB1 GLU 31 -1.567 4.820 0.847
29 HG2 GLU 31 HG2 GLU 31 -0.031 6.575 0.982
30 HG3 GLU 31 HG1 GLU 31 0.946 5.138 0.687
31 H TYR 32 HN TYR 32 1.662 3.257 -1.211
32 HA TYR 32 HA TYR 32 2.045 1.896 1.373
33 HB2 TYR 32 HB2 TYR 32 3.031 0.996 -1.329
34 HB3 TYR 32 HB1 TYR 32 3.819 0.494 0.158
35 HD1 TYR 32 HD1 TYR 32 2.656 -0.954 1.754
36 HD2 TYR 32 HD2 TYR 32 0.904 0.073 -1.983
37 HE1 TYR 32 HE1 TYR 32 1.058 -2.803 2.004
38 HE2 TYR 32 HE2 TYR 32 -0.698 -1.778 -1.746
39 HH TYR 32 HH TYR 32 -1.066 -3.517 1.213
40 H ALA 33 HN ALA 33 3.811 2.496 2.491
41 HA ALA 33 HA ALA 33 5.683 4.329 1.146
42 HB1 ALA 33 HB1 ALA 33 4.138 5.567 2.587
43 HB2 ALA 33 HB2 ALA 33 5.797 5.658 3.176
44 HB3 ALA 33 HB3 ALA 33 4.639 4.584 3.962
45 H CYS 34 HN CYS 34 7.705 3.642 1.202
46 HA CYS 34 HA CYS 34 8.393 1.398 2.907
47 HB2 CYS 34 HB2 CYS 34 10.447 1.300 1.597
48 HB3 CYS 34 HB1 CYS 34 9.055 1.410 0.526
49 H GLU 35 HN GLU 35 10.348 1.391 4.170
50 HA GLU 35 HA GLU 35 10.657 3.742 5.766
51 HB2 GLU 35 HB2 GLU 35 12.388 2.397 6.945
52 HB3 GLU 35 HB1 GLU 35 10.840 1.574 6.808
53 HG2 GLU 35 HG2 GLU 35 11.694 0.263 4.938
54 HG3 GLU 35 HG1 GLU 35 13.244 1.095 5.063
55 H LYS 36 HN LYS 36 11.685 3.179 2.778
56 HA LYS 36 HA LYS 36 14.363 4.278 3.057
57 HB2 LYS 36 HB2 LYS 36 12.868 3.599 0.535
58 HB3 LYS 36 HB1 LYS 36 14.593 3.883 0.691
59 HG2 LYS 36 HG2 LYS 36 13.092 1.589 1.940
60 HG3 LYS 36 HG1 LYS 36 14.034 1.500 0.453
61 HD2 LYS 36 HD2 LYS 36 15.217 2.388 3.073
62 HD3 LYS 36 HD1 LYS 36 15.178 0.698 2.572
63 HE2 LYS 36 HE2 LYS 36 16.480 1.202 0.611
64 HE3 LYS 36 HE1 LYS 36 16.432 2.927 0.975
65 HZ1 LYS 36 HZ1 LYS 36 17.688 2.487 3.000
66 HZ2 LYS 36 HZ2 LYS 36 18.536 1.959 1.639
67 HZ3 LYS 36 HZ3 LYS 36 17.747 0.836 2.630
68 H GLY 37 HN GLY 37 11.131 5.266 2.513
69 HA2 GLY 37 HA2 GLY 37 10.771 7.627 3.067
70 HA3 GLY 37 HA1 GLY 37 12.143 8.000 2.039
71 H HIS 38 HN HIS 38 10.546 5.638 0.404
72 HA HIS 38 HA HIS 38 9.198 7.684 -1.209
73 HB2 HIS 38 HB2 HIS 38 10.358 5.002 -1.861
74 HB3 HIS 38 HB1 HIS 38 9.138 5.712 -2.912
75 HD2 HIS 38 HD2 HIS 38 9.915 8.341 -3.901
76 HE1 HIS 38 HE1 HIS 38 14.009 7.312 -3.697
77 HE2 HIS 38 HE2 HIS 38 12.342 9.054 -4.465
78 H ARG 39 HN ARG 39 7.101 7.586 -1.784
79 HA ARG 39 HA ARG 39 5.475 5.391 -0.681
80 HB2 ARG 39 HB2 ARG 39 4.581 8.180 -1.432
81 HB3 ARG 39 HB1 ARG 39 3.570 6.924 -0.744
82 HG2 ARG 39 HG2 ARG 39 4.888 6.991 1.313
83 HG3 ARG 39 HG1 ARG 39 5.893 8.266 0.621
84 HD2 ARG 39 HD2 ARG 39 2.931 8.409 1.178
85 HD3 ARG 39 HD1 ARG 39 4.209 9.235 2.071
86 HE ARG 39 HE ARG 39 4.557 10.090 -0.480
87 HH11 ARG 39 HH11 ARG 39 1.826 10.080 1.711
88 HH12 ARG 39 HH12 ARG 39 1.092 11.477 0.991
89 HH21 ARG 39 HH21 ARG 39 3.588 11.911 -1.424
90 HH22 ARG 39 HH22 ARG 39 2.094 12.517 -0.784
91 H PHE 40 HN PHE 40 3.865 4.494 -2.062
92 HA PHE 40 HA PHE 40 3.776 5.324 -4.823
93 HB2 PHE 40 HB2 PHE 40 4.470 3.099 -5.699
94 HB3 PHE 40 HB1 PHE 40 5.775 3.981 -4.920
95 HD1 PHE 40 HD2 PHE 40 6.503 3.303 -2.621
96 HD2 PHE 40 HD1 PHE 40 3.808 0.972 -4.947
97 HE1 PHE 40 HE2 PHE 40 6.985 1.347 -1.210
98 HE2 PHE 40 HE1 PHE 40 4.286 -0.989 -3.541
99 HZ PHE 40 HZ PHE 40 5.877 -0.804 -1.671
100 H GLU 41 HN GLU 41 2.120 4.299 -6.028
101 HA GLU 41 HA GLU 41 0.051 3.134 -4.295
102 HB2 GLU 41 HB2 GLU 41 -1.575 4.034 -5.927
103 HB3 GLU 41 HB1 GLU 41 -0.587 5.294 -5.205
104 HG2 GLU 41 HG2 GLU 41 0.868 5.133 -7.275
105 HG3 GLU 41 HG1 GLU 41 -0.423 4.162 -7.978
106 H MET 42 HN MET 42 -0.962 1.258 -4.890
107 HA MET 42 HA MET 42 -0.005 -0.034 -7.352
108 HB2 MET 42 HB2 MET 42 -0.161 -1.332 -4.620
109 HB3 MET 42 HB1 MET 42 0.210 -2.173 -6.121
110 HG2 MET 42 HG2 MET 42 2.147 -0.507 -6.341
111 HG3 MET 42 HG1 MET 42 1.859 -0.167 -4.636
112 HE1 MET 42 HE1 MET 42 2.301 -3.843 -3.167
113 HE2 MET 42 HE2 MET 42 0.819 -3.265 -3.924
114 HE3 MET 42 HE3 MET 42 1.713 -2.214 -2.828
115 HA PRO 43 HA PRO 43 -4.234 -1.035 -7.899
116 HB2 PRO 43 HB2 PRO 43 -4.091 -3.104 -9.606
117 HB3 PRO 43 HB1 PRO 43 -3.621 -1.466 -10.076
118 HG2 PRO 43 HG2 PRO 43 -1.900 -3.781 -9.290
119 HG3 PRO 43 HG1 PRO 43 -1.653 -2.586 -10.576
120 HD2 PRO 43 HD2 PRO 43 -0.430 -2.488 -8.120
121 HD3 PRO 43 HD1 PRO 43 -0.716 -1.071 -9.146
122 H PHE 44 HN PHE 44 -5.523 -1.888 -6.464
123 HA PHE 44 HA PHE 44 -5.379 -4.755 -5.890
124 HB2 PHE 44 HB2 PHE 44 -5.409 -2.517 -3.898
125 HB3 PHE 44 HB1 PHE 44 -6.259 -4.011 -3.516
126 HD1 PHE 44 HD2 PHE 44 -5.034 -6.098 -3.247
127 HD2 PHE 44 HD1 PHE 44 -3.022 -2.413 -3.910
128 HE1 PHE 44 HE2 PHE 44 -2.932 -7.113 -2.470
129 HE2 PHE 44 HE1 PHE 44 -0.919 -3.418 -3.130
130 HZ PHE 44 HZ PHE 44 -0.869 -5.770 -2.410
131 H SER 45 HN SER 45 -7.539 -5.204 -4.499
132 HA SER 45 HA SER 45 -9.747 -4.169 -6.066
133 HB2 SER 45 HB2 SER 45 -9.659 -6.570 -5.414
134 HB3 SER 45 HB1 SER 45 -9.746 -6.065 -3.727
135 HG SER 45 HG SER 45 -11.789 -6.687 -4.790
136 H VAL 46 HN VAL 46 -11.370 -2.894 -5.267
137 HA VAL 46 HA VAL 46 -10.659 -1.185 -3.066
138 HB VAL 46 HB VAL 46 -11.711 -0.469 -5.259
139 HG11 VAL 46 HG11 VAL 46 -14.155 -0.507 -5.399
140 HG12 VAL 46 HG12 VAL 46 -14.212 -1.498 -3.941
141 HG13 VAL 46 HG13 VAL 46 -13.461 -2.129 -5.406
142 HG21 VAL 46 HG21 VAL 46 -12.966 0.454 -2.679
143 HG22 VAL 46 HG22 VAL 46 -13.056 1.321 -4.212
144 HG23 VAL 46 HG23 VAL 46 -11.495 1.081 -3.425
145 H GLU 47 HN GLU 47 -11.926 -4.144 -3.133
146 HA GLU 47 HA GLU 47 -13.582 -3.677 -0.743
147 HB2 GLU 47 HB2 GLU 47 -13.978 -5.746 -2.905
148 HB3 GLU 47 HB1 GLU 47 -14.910 -5.656 -1.418
149 HG2 GLU 47 HG2 GLU 47 -15.747 -3.458 -2.068
150 HG3 GLU 47 HG1 GLU 47 -14.807 -3.544 -3.558
151 H ALA 48 HN ALA 48 -10.681 -4.697 -1.588
152 HA ALA 48 HA ALA 48 -10.752 -7.272 -0.197
153 HB1 ALA 48 HB1 ALA 48 -9.640 -7.324 -2.323
154 HB2 ALA 48 HB2 ALA 48 -8.438 -7.538 -1.049
155 HB3 ALA 48 HB3 ALA 48 -8.595 -5.978 -1.862
156 H GLU 49 HN GLU 49 -9.494 -7.709 1.594
157 HA GLU 49 HA GLU 49 -8.862 -5.495 3.279
158 HB2 GLU 49 HB2 GLU 49 -7.947 -7.273 4.809
159 HB3 GLU 49 HB1 GLU 49 -9.632 -7.471 4.356
160 HG2 GLU 49 HG2 GLU 49 -9.068 -9.202 2.797
161 HG3 GLU 49 HG1 GLU 49 -7.346 -8.930 3.056
162 H ILE 50 HN ILE 50 -7.358 -4.274 2.262
163 HA ILE 50 HA ILE 50 -5.112 -5.161 0.878
164 HB ILE 50 HB ILE 50 -5.327 -2.533 2.351
165 HG12 ILE 50 HG12 ILE 50 -7.365 -2.827 1.070
166 HG13 ILE 50 HG11 ILE 50 -6.341 -1.644 0.264
167 HG21 ILE 50 HG21 ILE 50 -3.922 -1.675 0.545
168 HG22 ILE 50 HG22 ILE 50 -3.853 -3.289 -0.165
169 HG23 ILE 50 HG23 ILE 50 -3.129 -2.990 1.415
170 HD11 ILE 50 HD11 ILE 50 -5.621 -3.368 -1.320
171 HD12 ILE 50 HD12 ILE 50 -7.367 -3.119 -1.346
172 HD13 ILE 50 HD13 ILE 50 -6.689 -4.526 -0.526
173 HA PRO 51 HA PRO 51 -2.589 -6.783 4.173
174 HB2 PRO 51 HB2 PRO 51 -0.208 -6.585 2.744
175 HB3 PRO 51 HB1 PRO 51 -1.314 -7.960 2.715
176 HG2 PRO 51 HG2 PRO 51 -1.046 -5.702 0.788
177 HG3 PRO 51 HG1 PRO 51 -1.385 -7.414 0.475
178 HD2 PRO 51 HD2 PRO 51 -3.314 -5.569 0.371
179 HD3 PRO 51 HD1 PRO 51 -3.629 -7.195 1.014
180 HA PRO 52 HA PRO 52 -1.376 -2.950 6.089
181 HB2 PRO 52 HB2 PRO 52 0.095 -4.764 7.915
182 HB3 PRO 52 HB1 PRO 52 -1.115 -3.528 8.281
183 HG2 PRO 52 HG2 PRO 52 -1.737 -6.105 8.409
184 HG3 PRO 52 HG1 PRO 52 -2.890 -4.924 7.762
185 HD2 PRO 52 HD2 PRO 52 -1.131 -6.857 6.299
186 HD3 PRO 52 HD1 PRO 52 -2.819 -6.401 5.983
187 H GLU 53 HN GLU 53 0.863 -5.335 4.932
188 HA GLU 53 HA GLU 53 2.752 -3.184 4.435
189 HB2 GLU 53 HB2 GLU 53 4.676 -4.380 5.259
190 HB3 GLU 53 HB1 GLU 53 3.507 -4.234 6.559
191 HG2 GLU 53 HG2 GLU 53 3.863 -6.702 4.874
192 HG3 GLU 53 HG1 GLU 53 4.653 -6.433 6.425
193 H TRP 54 HN TRP 54 4.134 -3.581 2.665
194 HA TRP 54 HA TRP 54 3.829 -6.098 1.244
195 HB2 TRP 54 HB2 TRP 54 2.053 -4.455 0.420
196 HB3 TRP 54 HB1 TRP 54 3.384 -3.497 -0.219
197 HD1 TRP 54 HD1 TRP 54 4.680 -4.470 -2.365
198 HE1 TRP 54 HE1 TRP 54 4.020 -6.248 -4.110
199 HE3 TRP 54 HE3 TRP 54 0.810 -6.673 0.141
200 HZ2 TRP 54 HZ2 TRP 54 2.115 -8.303 -4.383
201 HZ3 TRP 54 HZ3 TRP 54 -0.381 -8.538 -0.936
202 HH2 TRP 54 HH2 TRP 54 0.257 -9.332 -3.149
203 H GLU 55 HN GLU 55 5.466 -6.319 -0.461
204 HA GLU 55 HA GLU 55 8.002 -5.326 0.309
205 HB2 GLU 55 HB2 GLU 55 7.631 -7.499 -0.808
206 HB3 GLU 55 HB1 GLU 55 7.154 -6.654 -2.271
207 HG2 GLU 55 HG2 GLU 55 9.389 -5.702 -2.457
208 HG3 GLU 55 HG1 GLU 55 9.870 -6.541 -0.981
209 H CYS 56 HN CYS 56 9.257 -3.713 -0.525
210 HA CYS 56 HA CYS 56 7.900 -1.585 -1.906
211 HB2 CYS 56 HB2 CYS 56 9.342 -0.840 -0.211
212 HB3 CYS 56 HB1 CYS 56 10.637 -1.919 -0.710
213 H LYS 57 HN LYS 57 7.606 -1.730 -4.011
214 HA LYS 57 HA LYS 57 9.417 -3.076 -5.779
215 HB2 LYS 57 HB2 LYS 57 6.849 -1.614 -6.050
216 HB3 LYS 57 HB1 LYS 57 7.863 -1.708 -7.478
217 HG2 LYS 57 HG2 LYS 57 6.295 -3.487 -7.574
218 HG3 LYS 57 HG1 LYS 57 7.875 -4.184 -7.229
219 HD2 LYS 57 HD2 LYS 57 6.059 -3.518 -4.959
220 HD3 LYS 57 HD1 LYS 57 5.732 -4.956 -5.923
221 HE2 LYS 57 HE2 LYS 57 8.300 -4.330 -4.468
222 HE3 LYS 57 HE1 LYS 57 7.079 -5.499 -3.971
223 HZ1 LYS 57 HZ1 LYS 57 8.771 -5.636 -6.406
224 HZ2 LYS 57 HZ2 LYS 57 7.508 -6.708 -6.062
225 HZ3 LYS 57 HZ3 LYS 57 8.861 -6.642 -5.045
226 H VAL 58 HN VAL 58 9.651 -0.136 -4.277
227 HA VAL 58 HA VAL 58 10.473 1.415 -6.576
228 HB VAL 58 HB VAL 58 10.528 2.133 -3.641
229 HG11 VAL 58 HG11 VAL 58 10.890 3.867 -6.083
230 HG12 VAL 58 HG12 VAL 58 12.143 3.435 -4.922
231 HG13 VAL 58 HG13 VAL 58 10.786 4.443 -4.420
232 HG21 VAL 58 HG21 VAL 58 8.534 3.449 -4.140
233 HG22 VAL 58 HG22 VAL 58 8.268 1.741 -4.493
234 HG23 VAL 58 HG23 VAL 58 8.567 2.879 -5.808
235 H CYS 59 HN CYS 59 12.085 0.479 -3.507
236 HA CYS 59 HA CYS 59 14.622 0.749 -4.983
237 HB2 CYS 59 HB2 CYS 59 14.325 2.551 -3.358
238 HB3 CYS 59 HB1 CYS 59 14.105 1.376 -2.067
239 H GLY 60 HN GLY 60 13.029 -0.980 -2.310
240 HA2 GLY 60 HA2 GLY 60 13.414 -3.490 -2.645
241 HA3 GLY 60 HA1 GLY 60 15.114 -3.053 -2.559
242 H ALA 61 HN ALA 61 12.085 -2.927 -0.761
243 HA ALA 61 HA ALA 61 13.314 -3.756 1.675
244 HB1 ALA 61 HB1 ALA 61 12.333 -0.897 1.541
245 HB2 ALA 61 HB2 ALA 61 14.023 -1.387 1.657
246 HB3 ALA 61 HB3 ALA 61 12.911 -1.734 2.981
247 H GLN 62 HN GLN 62 11.426 -3.018 3.508
248 HA GLN 62 HA GLN 62 8.945 -4.037 2.337
249 HB2 GLN 62 HB2 GLN 62 9.728 -5.198 4.341
250 HB3 GLN 62 HB1 GLN 62 9.732 -3.685 5.238
251 HG2 GLN 62 HG2 GLN 62 7.310 -3.516 4.966
252 HG3 GLN 62 HG1 GLN 62 7.305 -5.031 4.067
253 HE21 GLN 62 HE21 GLN 62 7.687 -3.544 7.183
254 HE22 GLN 62 HE22 GLN 62 7.524 -4.993 8.115
255 H ALA 63 HN ALA 63 7.161 -2.835 2.136
256 HA ALA 63 HA ALA 63 7.294 -0.052 3.079
257 HB1 ALA 63 HB1 ALA 63 5.785 0.506 1.242
258 HB2 ALA 63 HB2 ALA 63 5.746 -1.188 0.752
259 HB3 ALA 63 HB3 ALA 63 7.249 -0.272 0.640
260 H LEU 64 HN LEU 64 5.758 0.683 4.410
261 HA LEU 64 HA LEU 64 3.791 -1.215 5.374
262 HB2 LEU 64 HB2 LEU 64 4.456 1.591 6.264
263 HB3 LEU 64 HB1 LEU 64 3.269 0.559 7.036
264 HG LEU 64 HG LEU 64 6.239 0.036 6.876
265 HD11 LEU 64 HD11 LEU 64 5.654 1.818 8.427
266 HD12 LEU 64 HD12 LEU 64 6.187 0.377 9.292
267 HD13 LEU 64 HD13 LEU 64 4.469 0.767 9.202
268 HD21 LEU 64 HD21 LEU 64 4.989 -2.052 6.792
269 HD22 LEU 64 HD22 LEU 64 4.046 -1.559 8.199
270 HD23 LEU 64 HD23 LEU 64 5.775 -1.863 8.360
271 H LEU 65 HN LEU 65 1.660 -1.093 5.102
272 HA LEU 65 HA LEU 65 0.662 0.352 2.866
273 HB2 LEU 65 HB2 LEU 65 -0.103 -1.887 3.427
274 HB3 LEU 65 HB1 LEU 65 -0.685 -1.325 4.978
275 HG LEU 65 HG LEU 65 -2.395 -1.785 3.134
276 HD11 LEU 65 HD11 LEU 65 -3.846 0.012 3.884
277 HD12 LEU 65 HD12 LEU 65 -2.455 0.871 4.545
278 HD13 LEU 65 HD13 LEU 65 -2.942 -0.678 5.232
279 HD21 LEU 65 HD21 LEU 65 -2.864 0.085 1.639
280 HD22 LEU 65 HD22 LEU 65 -1.281 -0.626 1.327
281 HD23 LEU 65 HD23 LEU 65 -1.406 0.898 2.207
282 H VAL 66 HN VAL 66 -0.040 2.354 2.836
283 HA VAL 66 HA VAL 66 -0.859 3.629 5.356
284 HB VAL 66 HB VAL 66 -0.018 4.906 2.745
285 HG11 VAL 66 HG11 VAL 66 -0.036 7.012 3.993
286 HG12 VAL 66 HG12 VAL 66 -0.663 6.167 5.408
287 HG13 VAL 66 HG13 VAL 66 -1.638 6.277 3.942
288 HG21 VAL 66 HG21 VAL 66 1.435 4.699 5.380
289 HG22 VAL 66 HG22 VAL 66 1.986 5.606 3.973
290 HG23 VAL 66 HG23 VAL 66 1.852 3.849 3.893
291 H ASP 67 HN ASP 67 -2.952 3.532 5.636
292 HA ASP 67 HA ASP 67 -5.182 3.546 5.338
293 HB2 ASP 67 HB2 ASP 67 -4.856 5.855 4.666
294 HB3 ASP 67 HB1 ASP 67 -4.530 5.352 3.010
295 H GLY 68 HN GLY 68 -5.846 1.585 4.891
296 HA2 GLY 68 HA2 GLY 68 -6.913 0.914 2.409
297 HA3 GLY 68 HA1 GLY 68 -5.325 0.165 2.506
298 H ASP 69 HN ASP 69 -8.159 0.628 4.602
299 HA ASP 69 HA ASP 69 -7.729 -1.996 5.777
300 HB2 ASP 69 HB2 ASP 69 -9.517 -1.413 7.311
301 HB3 ASP 69 HB1 ASP 69 -8.389 -0.067 7.200
302 H GLY 70 HN GLY 70 -8.928 -1.054 2.990
303 HA2 GLY 70 HA2 GLY 70 -10.164 -3.311 2.159
304 HA3 GLY 70 HA1 GLY 70 -11.467 -2.412 2.932
305 HA PRO 71 HA PRO 71 -11.872 0.100 -0.714
306 HB2 PRO 71 HB2 PRO 71 -12.291 2.577 0.326
307 HB3 PRO 71 HB1 PRO 71 -13.528 1.318 0.286
308 HG2 PRO 71 HG2 PRO 71 -11.783 2.192 2.547
309 HG3 PRO 71 HG1 PRO 71 -13.491 1.719 2.566
310 HD2 PRO 71 HD2 PRO 71 -11.482 0.068 3.359
311 HD3 PRO 71 HD1 PRO 71 -12.996 -0.521 2.643
312 H GLU 72 HN GLU 72 -10.336 0.776 -2.047
313 HA GLU 72 HA GLU 72 -7.793 1.693 -1.174
314 HB2 GLU 72 HB2 GLU 72 -9.026 1.944 -3.923
315 HB3 GLU 72 HB1 GLU 72 -7.316 2.043 -3.532
316 HG2 GLU 72 HG2 GLU 72 -7.284 -0.289 -2.931
317 HG3 GLU 72 HG1 GLU 72 -9.020 -0.405 -3.189
318 H GLU 73 HN GLU 73 -7.032 3.706 -0.899
319 HA GLU 73 HA GLU 73 -6.917 5.966 -0.756
320 HB2 GLU 73 HB2 GLU 73 -7.028 5.650 -3.241
321 HB3 GLU 73 HB1 GLU 73 -8.757 5.939 -3.150
322 HG2 GLU 73 HG2 GLU 73 -8.409 8.185 -2.424
323 HG3 GLU 73 HG1 GLU 73 -6.676 7.910 -2.258
324 H LYS 74 HN LYS 74 -8.698 4.767 0.924
325 HA LYS 74 HA LYS 74 -11.239 6.092 0.921
326 HB2 LYS 74 HB2 LYS 74 -10.920 3.900 1.989
327 HB3 LYS 74 HB1 LYS 74 -9.772 4.608 3.115
328 HG2 LYS 74 HG2 LYS 74 -11.827 4.365 4.261
329 HG3 LYS 74 HG1 LYS 74 -11.614 6.085 3.933
330 HD2 LYS 74 HD2 LYS 74 -13.101 5.871 1.980
331 HD3 LYS 74 HD1 LYS 74 -13.347 4.169 2.374
332 HE2 LYS 74 HE2 LYS 74 -14.087 6.536 4.084
333 HE3 LYS 74 HE1 LYS 74 -15.199 5.498 3.196
334 HZ1 LYS 74 HZ1 LYS 74 -14.396 3.629 4.591
335 HZ2 LYS 74 HZ2 LYS 74 -15.192 4.834 5.467
336 HZ3 LYS 74 HZ3 LYS 74 -13.505 4.735 5.510
337 H LYS 75 HN LYS 75 -8.265 6.310 2.783
338 HA LYS 75 HA LYS 75 -7.430 7.855 4.223
339 HB2 LYS 75 HB2 LYS 75 -8.419 9.757 2.094
340 HB3 LYS 75 HB1 LYS 75 -7.123 10.059 3.243
341 HG2 LYS 75 HG2 LYS 75 -5.884 8.138 2.236
342 HG3 LYS 75 HG1 LYS 75 -7.139 8.051 1.001
343 HD2 LYS 75 HD2 LYS 75 -6.638 10.415 0.412
344 HD3 LYS 75 HD1 LYS 75 -5.295 10.373 1.556
345 HE2 LYS 75 HE2 LYS 75 -5.626 8.668 -0.908
346 HE3 LYS 75 HE1 LYS 75 -4.477 9.982 -0.687
347 HZ1 LYS 75 HZ1 LYS 75 -3.425 7.835 -0.403
348 HZ2 LYS 75 HZ2 LYS 75 -4.504 7.434 0.836
349 HZ3 LYS 75 HZ3 LYS 75 -3.399 8.696 1.053
Start of MODEL 4
1 H1 GLN 28 HT1 GLN 28 -8.500 4.075 -8.947
2 H2 GLN 28 HT2 GLN 28 -7.996 5.124 -7.728
3 H3 GLN 28 HT3 GLN 28 -9.646 4.846 -7.970
4 HA GLN 28 HA GLN 28 -8.897 3.644 -6.047
5 HB2 GLN 28 HB2 GLN 28 -9.430 1.856 -8.431
6 HB3 GLN 28 HB1 GLN 28 -9.571 1.365 -6.749
7 HG2 GLN 28 HG2 GLN 28 -11.344 3.031 -6.431
8 HG3 GLN 28 HG1 GLN 28 -11.214 3.473 -8.132
9 HE21 GLN 28 HE21 GLN 28 -13.486 2.405 -6.651
10 HE22 GLN 28 HE22 GLN 28 -13.943 0.945 -7.462
11 H ALA 29 HN ALA 29 -6.701 3.938 -5.557
12 HA ALA 29 HA ALA 29 -5.101 1.589 -6.220
13 HB1 ALA 29 HB1 ALA 29 -3.090 2.892 -6.593
14 HB2 ALA 29 HB2 ALA 29 -3.984 4.391 -6.339
15 HB3 ALA 29 HB3 ALA 29 -4.340 3.379 -7.739
16 H VAL 30 HN VAL 30 -3.815 0.886 -4.525
17 HA VAL 30 HA VAL 30 -4.335 2.155 -1.958
18 HB VAL 30 HB VAL 30 -3.289 0.222 -0.937
19 HG11 VAL 30 HG11 VAL 30 -5.157 -0.572 -3.164
20 HG12 VAL 30 HG12 VAL 30 -5.622 0.008 -1.564
21 HG13 VAL 30 HG13 VAL 30 -4.794 -1.541 -1.736
22 HG21 VAL 30 HG21 VAL 30 -2.653 -0.684 -3.736
23 HG22 VAL 30 HG22 VAL 30 -2.404 -1.622 -2.264
24 HG23 VAL 30 HG23 VAL 30 -1.489 -0.138 -2.531
25 H GLU 31 HN GLU 31 -2.595 2.661 -0.470
26 HA GLU 31 HA GLU 31 -0.273 3.735 -1.934
27 HB2 GLU 31 HB2 GLU 31 -1.660 4.807 0.530
28 HB3 GLU 31 HB1 GLU 31 -0.265 5.540 -0.253
29 HG2 GLU 31 HG2 GLU 31 -1.557 6.034 -2.214
30 HG3 GLU 31 HG1 GLU 31 -2.940 5.147 -1.573
31 H TYR 32 HN TYR 32 1.598 2.799 -1.403
32 HA TYR 32 HA TYR 32 1.928 1.805 1.355
33 HB2 TYR 32 HB2 TYR 32 3.154 0.875 -1.237
34 HB3 TYR 32 HB1 TYR 32 3.842 0.447 0.324
35 HD1 TYR 32 HD1 TYR 32 2.690 -1.110 1.807
36 HD2 TYR 32 HD2 TYR 32 1.043 -0.052 -1.967
37 HE1 TYR 32 HE1 TYR 32 1.125 -3.002 1.968
38 HE2 TYR 32 HE2 TYR 32 -0.522 -1.940 -1.822
39 HH TYR 32 HH TYR 32 -0.796 -4.021 -0.723
40 H ALA 33 HN ALA 33 3.664 2.445 2.545
41 HA ALA 33 HA ALA 33 5.630 4.233 1.286
42 HB1 ALA 33 HB1 ALA 33 5.488 5.809 3.093
43 HB2 ALA 33 HB2 ALA 33 4.316 4.799 3.938
44 HB3 ALA 33 HB3 ALA 33 3.874 5.580 2.421
45 H CYS 34 HN CYS 34 7.663 3.670 1.784
46 HA CYS 34 HA CYS 34 8.035 1.529 3.711
47 HB2 CYS 34 HB2 CYS 34 10.201 1.233 2.726
48 HB3 CYS 34 HB1 CYS 34 9.046 1.466 1.416
49 H GLU 35 HN GLU 35 10.411 1.726 4.728
50 HA GLU 35 HA GLU 35 10.200 3.651 6.771
51 HB2 GLU 35 HB2 GLU 35 12.505 2.821 7.384
52 HB3 GLU 35 HB1 GLU 35 11.248 1.597 7.288
53 HG2 GLU 35 HG2 GLU 35 12.037 0.950 5.077
54 HG3 GLU 35 HG1 GLU 35 13.290 2.186 5.161
55 H LYS 36 HN LYS 36 11.521 3.933 3.620
56 HA LYS 36 HA LYS 36 13.314 6.103 4.347
57 HB2 LYS 36 HB2 LYS 36 12.597 4.773 1.779
58 HB3 LYS 36 HB1 LYS 36 13.306 6.369 1.736
59 HG2 LYS 36 HG2 LYS 36 15.055 4.822 1.424
60 HG3 LYS 36 HG1 LYS 36 15.219 5.447 3.066
61 HD2 LYS 36 HD2 LYS 36 15.534 2.995 2.898
62 HD3 LYS 36 HD1 LYS 36 14.223 3.486 3.978
63 HE2 LYS 36 HE2 LYS 36 13.753 1.538 2.392
64 HE3 LYS 36 HE1 LYS 36 12.568 2.839 2.458
65 HZ1 LYS 36 HZ1 LYS 36 13.409 3.735 0.410
66 HZ2 LYS 36 HZ2 LYS 36 13.078 2.091 0.183
67 HZ3 LYS 36 HZ3 LYS 36 14.676 2.604 0.376
68 H GLY 37 HN GLY 37 10.070 5.601 3.378
69 HA2 GLY 37 HA2 GLY 37 8.428 7.351 3.443
70 HA3 GLY 37 HA1 GLY 37 9.686 8.491 2.977
71 H HIS 38 HN HIS 38 10.118 5.704 1.228
72 HA HIS 38 HA HIS 38 9.275 6.864 -1.220
73 HB2 HIS 38 HB2 HIS 38 10.213 4.093 -0.471
74 HB3 HIS 38 HB1 HIS 38 9.695 4.483 -2.106
75 HD2 HIS 38 HD2 HIS 38 11.320 6.545 -3.346
76 HE1 HIS 38 HE1 HIS 38 14.647 5.569 -0.924
77 HE2 HIS 38 HE2 HIS 38 13.854 6.899 -2.924
78 H ARG 39 HN ARG 39 7.162 7.263 -1.427
79 HA ARG 39 HA ARG 39 5.240 5.174 -0.736
80 HB2 ARG 39 HB2 ARG 39 4.738 8.016 -1.603
81 HB3 ARG 39 HB1 ARG 39 3.525 6.879 -1.048
82 HG2 ARG 39 HG2 ARG 39 4.745 6.786 1.137
83 HG3 ARG 39 HG1 ARG 39 5.734 8.127 0.556
84 HD2 ARG 39 HD2 ARG 39 3.842 9.556 0.388
85 HD3 ARG 39 HD1 ARG 39 2.732 8.214 0.652
86 HE ARG 39 HE ARG 39 4.612 8.935 2.780
87 HH11 ARG 39 HH11 ARG 39 1.320 8.828 1.571
88 HH12 ARG 39 HH12 ARG 39 0.608 9.079 3.134
89 HH21 ARG 39 HH21 ARG 39 3.677 9.262 4.829
90 HH22 ARG 39 HH22 ARG 39 1.949 9.352 4.983
91 H PHE 40 HN PHE 40 3.906 4.259 -2.189
92 HA PHE 40 HA PHE 40 3.941 5.075 -4.962
93 HB2 PHE 40 HB2 PHE 40 4.551 2.786 -5.762
94 HB3 PHE 40 HB1 PHE 40 5.873 3.653 -4.994
95 HD1 PHE 40 HD2 PHE 40 6.492 3.050 -2.625
96 HD2 PHE 40 HD1 PHE 40 3.853 0.694 -4.989
97 HE1 PHE 40 HE2 PHE 40 6.844 1.142 -1.111
98 HE2 PHE 40 HE1 PHE 40 4.193 -1.215 -3.479
99 HZ PHE 40 HZ PHE 40 5.774 -1.019 -1.590
100 H GLU 41 HN GLU 41 2.313 4.068 -6.219
101 HA GLU 41 HA GLU 41 0.069 3.140 -4.564
102 HB2 GLU 41 HB2 GLU 41 0.109 4.394 -7.321
103 HB3 GLU 41 HB1 GLU 41 -1.339 3.889 -6.463
104 HG2 GLU 41 HG2 GLU 41 -1.047 5.560 -4.809
105 HG3 GLU 41 HG1 GLU 41 0.573 5.944 -5.393
106 H MET 42 HN MET 42 -0.912 1.214 -4.995
107 HA MET 42 HA MET 42 -0.144 -0.216 -7.439
108 HB2 MET 42 HB2 MET 42 -0.162 -1.419 -4.661
109 HB3 MET 42 HB1 MET 42 0.003 -2.337 -6.151
110 HG2 MET 42 HG2 MET 42 2.041 -0.845 -6.608
111 HG3 MET 42 HG1 MET 42 1.937 -0.429 -4.899
112 HE1 MET 42 HE1 MET 42 2.236 -4.074 -3.320
113 HE2 MET 42 HE2 MET 42 0.743 -3.332 -3.894
114 HE3 MET 42 HE3 MET 42 1.903 -2.377 -2.969
115 HA PRO 43 HA PRO 43 -4.493 -0.856 -7.553
116 HB2 PRO 43 HB2 PRO 43 -4.670 -2.680 -9.515
117 HB3 PRO 43 HB1 PRO 43 -4.159 -1.017 -9.824
118 HG2 PRO 43 HG2 PRO 43 -2.517 -3.498 -9.609
119 HG3 PRO 43 HG1 PRO 43 -2.320 -2.112 -10.695
120 HD2 PRO 43 HD2 PRO 43 -0.877 -2.534 -8.363
121 HD3 PRO 43 HD1 PRO 43 -1.068 -0.970 -9.177
122 H PHE 44 HN PHE 44 -5.615 -1.817 -6.050
123 HA PHE 44 HA PHE 44 -5.526 -4.756 -5.828
124 HB2 PHE 44 HB2 PHE 44 -5.439 -2.683 -3.687
125 HB3 PHE 44 HB1 PHE 44 -6.430 -4.105 -3.386
126 HD1 PHE 44 HD2 PHE 44 -5.415 -6.312 -3.217
127 HD2 PHE 44 HD1 PHE 44 -3.037 -2.814 -3.710
128 HE1 PHE 44 HE2 PHE 44 -3.423 -7.568 -2.505
129 HE2 PHE 44 HE1 PHE 44 -1.045 -4.066 -2.997
130 HZ PHE 44 HZ PHE 44 -1.235 -6.444 -2.393
131 H SER 45 HN SER 45 -7.711 -5.334 -4.479
132 HA SER 45 HA SER 45 -9.901 -4.192 -5.971
133 HB2 SER 45 HB2 SER 45 -9.852 -6.598 -5.277
134 HB3 SER 45 HB1 SER 45 -9.965 -6.054 -3.607
135 HG SER 45 HG SER 45 -12.014 -6.615 -4.442
136 H VAL 46 HN VAL 46 -11.302 -2.687 -5.282
137 HA VAL 46 HA VAL 46 -10.548 -1.049 -3.065
138 HB VAL 46 HB VAL 46 -11.595 -0.370 -5.303
139 HG11 VAL 46 HG11 VAL 46 -14.117 -1.040 -3.808
140 HG12 VAL 46 HG12 VAL 46 -13.521 -1.823 -5.270
141 HG13 VAL 46 HG13 VAL 46 -14.031 -0.136 -5.321
142 HG21 VAL 46 HG21 VAL 46 -12.561 0.817 -2.712
143 HG22 VAL 46 HG22 VAL 46 -12.717 1.595 -4.285
144 HG23 VAL 46 HG23 VAL 46 -11.118 1.263 -3.623
145 H GLU 47 HN GLU 47 -12.189 -3.886 -3.220
146 HA GLU 47 HA GLU 47 -13.749 -3.297 -0.791
147 HB2 GLU 47 HB2 GLU 47 -14.386 -5.391 -2.877
148 HB3 GLU 47 HB1 GLU 47 -15.371 -4.954 -1.486
149 HG2 GLU 47 HG2 GLU 47 -15.810 -2.784 -2.412
150 HG3 GLU 47 HG1 GLU 47 -14.703 -3.090 -3.749
151 H ALA 48 HN ALA 48 -10.937 -4.312 -1.310
152 HA ALA 48 HA ALA 48 -11.156 -6.958 -0.033
153 HB1 ALA 48 HB1 ALA 48 -8.954 -5.741 -1.694
154 HB2 ALA 48 HB2 ALA 48 -9.973 -7.131 -2.089
155 HB3 ALA 48 HB3 ALA 48 -8.783 -7.250 -0.795
156 H GLU 49 HN GLU 49 -9.546 -7.492 1.563
157 HA GLU 49 HA GLU 49 -9.023 -5.315 3.393
158 HB2 GLU 49 HB2 GLU 49 -8.481 -8.287 3.535
159 HB3 GLU 49 HB1 GLU 49 -8.113 -7.157 4.831
160 HG2 GLU 49 HG2 GLU 49 -10.418 -6.637 5.133
161 HG3 GLU 49 HG1 GLU 49 -10.864 -7.550 3.692
162 H ILE 50 HN ILE 50 -7.514 -4.082 2.329
163 HA ILE 50 HA ILE 50 -5.291 -4.999 0.925
164 HB ILE 50 HB ILE 50 -5.420 -2.376 2.411
165 HG12 ILE 50 HG12 ILE 50 -7.492 -2.583 1.189
166 HG13 ILE 50 HG11 ILE 50 -6.445 -1.464 0.324
167 HG21 ILE 50 HG21 ILE 50 -3.259 -2.973 1.387
168 HG22 ILE 50 HG22 ILE 50 -3.990 -1.552 0.640
169 HG23 ILE 50 HG23 ILE 50 -4.061 -3.115 -0.178
170 HD11 ILE 50 HD11 ILE 50 -6.941 -4.345 -0.386
171 HD12 ILE 50 HD12 ILE 50 -5.855 -3.250 -1.244
172 HD13 ILE 50 HD13 ILE 50 -7.591 -2.929 -1.215
173 HA PRO 51 HA PRO 51 -2.830 -6.645 4.265
174 HB2 PRO 51 HB2 PRO 51 -0.482 -6.723 2.791
175 HB3 PRO 51 HB1 PRO 51 -1.698 -8.000 2.837
176 HG2 PRO 51 HG2 PRO 51 -1.263 -5.866 0.801
177 HG3 PRO 51 HG1 PRO 51 -1.758 -7.554 0.575
178 HD2 PRO 51 HD2 PRO 51 -3.513 -5.527 0.415
179 HD3 PRO 51 HD1 PRO 51 -3.968 -7.107 1.090
180 HA PRO 52 HA PRO 52 -1.389 -2.764 5.891
181 HB2 PRO 52 HB2 PRO 52 -0.015 -4.546 7.826
182 HB3 PRO 52 HB1 PRO 52 -1.125 -3.204 8.118
183 HG2 PRO 52 HG2 PRO 52 -1.933 -5.717 8.424
184 HG3 PRO 52 HG1 PRO 52 -3.006 -4.499 7.706
185 HD2 PRO 52 HD2 PRO 52 -1.420 -6.654 6.368
186 HD3 PRO 52 HD1 PRO 52 -3.065 -6.081 6.022
187 H GLU 53 HN GLU 53 0.646 -5.188 4.606
188 HA GLU 53 HA GLU 53 2.777 -3.247 4.334
189 HB2 GLU 53 HB2 GLU 53 4.509 -4.790 5.193
190 HB3 GLU 53 HB1 GLU 53 3.378 -4.285 6.440
191 HG2 GLU 53 HG2 GLU 53 2.144 -6.472 5.916
192 HG3 GLU 53 HG1 GLU 53 3.632 -6.947 5.100
193 H TRP 54 HN TRP 54 4.159 -3.660 2.621
194 HA TRP 54 HA TRP 54 3.949 -6.149 1.169
195 HB2 TRP 54 HB2 TRP 54 2.121 -4.541 0.310
196 HB3 TRP 54 HB1 TRP 54 3.451 -3.604 -0.361
197 HD1 TRP 54 HD1 TRP 54 4.811 -4.704 -2.422
198 HE1 TRP 54 HE1 TRP 54 4.162 -6.551 -4.097
199 HE3 TRP 54 HE3 TRP 54 0.824 -6.703 0.076
200 HZ2 TRP 54 HZ2 TRP 54 2.218 -8.579 -4.326
201 HZ3 TRP 54 HZ3 TRP 54 -0.376 -8.594 -0.941
202 HH2 TRP 54 HH2 TRP 54 0.308 -9.512 -3.097
203 H GLU 55 HN GLU 55 5.684 -6.285 -0.493
204 HA GLU 55 HA GLU 55 8.079 -5.080 0.464
205 HB2 GLU 55 HB2 GLU 55 8.047 -7.334 -0.500
206 HB3 GLU 55 HB1 GLU 55 7.599 -6.665 -2.061
207 HG2 GLU 55 HG2 GLU 55 9.704 -5.530 -2.241
208 HG3 GLU 55 HG1 GLU 55 10.146 -6.010 -0.604
209 H CYS 56 HN CYS 56 9.379 -3.546 -0.442
210 HA CYS 56 HA CYS 56 8.033 -1.510 -1.968
211 HB2 CYS 56 HB2 CYS 56 9.378 -0.695 -0.205
212 HB3 CYS 56 HB1 CYS 56 10.731 -1.728 -0.646
213 H LYS 57 HN LYS 57 7.788 -1.992 -4.063
214 HA LYS 57 HA LYS 57 9.858 -3.134 -5.688
215 HB2 LYS 57 HB2 LYS 57 7.107 -2.103 -6.134
216 HB3 LYS 57 HB1 LYS 57 8.184 -2.125 -7.519
217 HG2 LYS 57 HG2 LYS 57 6.907 -4.125 -7.556
218 HG3 LYS 57 HG1 LYS 57 8.555 -4.552 -7.110
219 HD2 LYS 57 HD2 LYS 57 6.583 -4.032 -4.943
220 HD3 LYS 57 HD1 LYS 57 6.476 -5.548 -5.834
221 HE2 LYS 57 HE2 LYS 57 8.935 -4.526 -4.417
222 HE3 LYS 57 HE1 LYS 57 7.829 -5.738 -3.783
223 HZ1 LYS 57 HZ1 LYS 57 9.686 -6.847 -4.730
224 HZ2 LYS 57 HZ2 LYS 57 9.562 -5.979 -6.179
225 HZ3 LYS 57 HZ3 LYS 57 8.369 -7.108 -5.765
226 H VAL 58 HN VAL 58 10.000 -0.302 -4.248
227 HA VAL 58 HA VAL 58 10.569 1.315 -6.628
228 HB VAL 58 HB VAL 58 10.216 2.192 -3.758
229 HG11 VAL 58 HG11 VAL 58 10.515 3.833 -6.272
230 HG12 VAL 58 HG12 VAL 58 11.713 3.677 -4.986
231 HG13 VAL 58 HG13 VAL 58 10.168 4.465 -4.663
232 HG21 VAL 58 HG21 VAL 58 8.381 2.460 -6.136
233 HG22 VAL 58 HG22 VAL 58 8.094 3.125 -4.528
234 HG23 VAL 58 HG23 VAL 58 8.146 1.379 -4.764
235 H CYS 59 HN CYS 59 12.000 0.807 -3.377
236 HA CYS 59 HA CYS 59 14.550 1.678 -4.563
237 HB2 CYS 59 HB2 CYS 59 13.739 3.184 -2.845
238 HB3 CYS 59 HB1 CYS 59 13.576 1.851 -1.710
239 H GLY 60 HN GLY 60 13.187 -0.648 -2.228
240 HA2 GLY 60 HA2 GLY 60 14.175 -2.957 -2.721
241 HA3 GLY 60 HA1 GLY 60 15.715 -2.156 -2.443
242 H ALA 61 HN ALA 61 12.575 -2.703 -0.884
243 HA ALA 61 HA ALA 61 13.667 -3.694 1.523
244 HB1 ALA 61 HB1 ALA 61 13.102 -1.827 3.026
245 HB2 ALA 61 HB2 ALA 61 12.703 -0.827 1.630
246 HB3 ALA 61 HB3 ALA 61 14.361 -1.371 1.878
247 H GLN 62 HN GLN 62 11.643 -3.101 3.314
248 HA GLN 62 HA GLN 62 9.250 -3.962 1.859
249 HB2 GLN 62 HB2 GLN 62 9.984 -5.273 3.872
250 HB3 GLN 62 HB1 GLN 62 9.642 -3.852 4.853
251 HG2 GLN 62 HG2 GLN 62 7.306 -3.915 4.052
252 HG3 GLN 62 HG1 GLN 62 7.674 -5.408 3.197
253 HE21 GLN 62 HE21 GLN 62 6.207 -6.597 4.327
254 HE22 GLN 62 HE22 GLN 62 6.389 -7.001 6.001
255 H ALA 63 HN ALA 63 7.303 -2.852 2.018
256 HA ALA 63 HA ALA 63 7.491 -0.135 3.128
257 HB1 ALA 63 HB1 ALA 63 5.933 -1.018 0.703
258 HB2 ALA 63 HB2 ALA 63 7.447 -0.113 0.679
259 HB3 ALA 63 HB3 ALA 63 5.994 0.618 1.362
260 H LEU 64 HN LEU 64 5.634 0.689 4.150
261 HA LEU 64 HA LEU 64 3.786 -1.417 5.014
262 HB2 LEU 64 HB2 LEU 64 4.485 1.235 6.268
263 HB3 LEU 64 HB1 LEU 64 3.254 0.148 6.884
264 HG LEU 64 HG LEU 64 6.199 -0.491 6.667
265 HD11 LEU 64 HD11 LEU 64 5.757 1.139 8.398
266 HD12 LEU 64 HD12 LEU 64 6.151 -0.423 9.115
267 HD13 LEU 64 HD13 LEU 64 4.475 0.125 9.059
268 HD21 LEU 64 HD21 LEU 64 5.608 -2.495 7.972
269 HD22 LEU 64 HD22 LEU 64 4.844 -2.484 6.384
270 HD23 LEU 64 HD23 LEU 64 3.903 -2.077 7.817
271 H LEU 65 HN LEU 65 1.633 -1.205 4.841
272 HA LEU 65 HA LEU 65 0.656 0.507 2.764
273 HB2 LEU 65 HB2 LEU 65 -0.064 -1.846 3.147
274 HB3 LEU 65 HB1 LEU 65 -0.790 -1.347 4.660
275 HG LEU 65 HG LEU 65 -2.331 -1.719 2.660
276 HD11 LEU 65 HD11 LEU 65 -2.503 0.913 4.105
277 HD12 LEU 65 HD12 LEU 65 -3.024 -0.644 4.744
278 HD13 LEU 65 HD13 LEU 65 -3.832 0.043 3.338
279 HD21 LEU 65 HD21 LEU 65 -1.030 -0.514 1.002
280 HD22 LEU 65 HD22 LEU 65 -1.238 0.984 1.910
281 HD23 LEU 65 HD23 LEU 65 -2.635 0.195 1.179
282 H VAL 66 HN VAL 66 0.144 2.576 3.091
283 HA VAL 66 HA VAL 66 -0.370 3.424 5.846
284 HB VAL 66 HB VAL 66 0.167 5.735 5.010
285 HG11 VAL 66 HG11 VAL 66 2.317 3.642 4.708
286 HG12 VAL 66 HG12 VAL 66 1.780 4.367 6.223
287 HG13 VAL 66 HG13 VAL 66 2.577 5.361 5.006
288 HG21 VAL 66 HG21 VAL 66 -0.240 5.379 2.627
289 HG22 VAL 66 HG22 VAL 66 1.102 4.236 2.560
290 HG23 VAL 66 HG23 VAL 66 1.410 5.937 2.910
291 H ASP 67 HN ASP 67 -2.366 3.667 6.384
292 HA ASP 67 HA ASP 67 -4.525 4.328 6.452
293 HB2 ASP 67 HB2 ASP 67 -3.531 6.407 4.502
294 HB3 ASP 67 HB1 ASP 67 -5.068 6.476 5.354
295 H GLY 68 HN GLY 68 -4.295 2.157 4.944
296 HA2 GLY 68 HA2 GLY 68 -6.293 2.665 2.828
297 HA3 GLY 68 HA1 GLY 68 -4.992 1.504 2.598
298 H ASP 69 HN ASP 69 -7.585 2.277 4.878
299 HA ASP 69 HA ASP 69 -7.681 -0.445 5.822
300 HB2 ASP 69 HB2 ASP 69 -8.092 1.552 7.291
301 HB3 ASP 69 HB1 ASP 69 -9.598 1.818 6.420
302 H GLY 70 HN GLY 70 -8.044 -0.931 3.374
303 HA2 GLY 70 HA2 GLY 70 -9.644 -2.425 2.406
304 HA3 GLY 70 HA1 GLY 70 -10.930 -1.444 3.091
305 HA PRO 71 HA PRO 71 -11.546 0.488 -0.836
306 HB2 PRO 71 HB2 PRO 71 -12.014 3.069 0.065
307 HB3 PRO 71 HB1 PRO 71 -13.230 1.807 -0.123
308 HG2 PRO 71 HG2 PRO 71 -11.788 2.698 2.331
309 HG3 PRO 71 HG1 PRO 71 -13.470 2.165 2.145
310 HD2 PRO 71 HD2 PRO 71 -11.615 0.559 3.207
311 HD3 PRO 71 HD1 PRO 71 -12.883 -0.084 2.141
312 H GLU 72 HN GLU 72 -10.062 1.025 -2.232
313 HA GLU 72 HA GLU 72 -7.557 2.160 -1.582
314 HB2 GLU 72 HB2 GLU 72 -8.893 1.994 -4.284
315 HB3 GLU 72 HB1 GLU 72 -7.178 2.215 -3.981
316 HG2 GLU 72 HG2 GLU 72 -7.073 -0.016 -2.997
317 HG3 GLU 72 HG1 GLU 72 -8.792 -0.231 -3.324
318 H GLU 73 HN GLU 73 -6.714 4.189 -2.101
319 HA GLU 73 HA GLU 73 -6.670 6.442 -2.342
320 HB2 GLU 73 HB2 GLU 73 -7.335 5.751 -4.643
321 HB3 GLU 73 HB1 GLU 73 -9.018 5.968 -4.193
322 HG2 GLU 73 HG2 GLU 73 -8.257 7.877 -5.433
323 HG3 GLU 73 HG1 GLU 73 -8.567 8.349 -3.763
324 H LYS 74 HN LYS 74 -7.565 6.123 -0.022
325 HA LYS 74 HA LYS 74 -9.899 7.888 0.218
326 HB2 LYS 74 HB2 LYS 74 -10.690 5.585 0.599
327 HB3 LYS 74 HB1 LYS 74 -9.470 5.376 1.850
328 HG2 LYS 74 HG2 LYS 74 -10.530 7.219 3.126
329 HG3 LYS 74 HG1 LYS 74 -11.800 7.286 1.904
330 HD2 LYS 74 HD2 LYS 74 -12.659 5.977 3.675
331 HD3 LYS 74 HD1 LYS 74 -12.224 4.842 2.398
332 HE2 LYS 74 HE2 LYS 74 -11.508 3.975 4.535
333 HE3 LYS 74 HE1 LYS 74 -10.097 4.392 3.566
334 HZ1 LYS 74 HZ1 LYS 74 -10.005 5.089 5.947
335 HZ2 LYS 74 HZ2 LYS 74 -11.240 6.196 5.623
336 HZ3 LYS 74 HZ3 LYS 74 -9.746 6.342 4.842
337 H LYS 75 HN LYS 75 -7.327 6.250 2.021
338 HA LYS 75 HA LYS 75 -6.042 6.835 3.768
339 HB2 LYS 75 HB2 LYS 75 -5.325 8.662 2.246
340 HB3 LYS 75 HB1 LYS 75 -6.587 9.685 2.918
341 HG2 LYS 75 HG2 LYS 75 -5.533 9.639 5.085
342 HG3 LYS 75 HG1 LYS 75 -4.323 8.493 4.505
343 HD2 LYS 75 HD2 LYS 75 -3.541 10.182 2.888
344 HD3 LYS 75 HD1 LYS 75 -4.714 11.326 3.545
345 HE2 LYS 75 HE2 LYS 75 -2.519 10.011 5.139
346 HE3 LYS 75 HE1 LYS 75 -2.418 11.625 4.445
347 HZ1 LYS 75 HZ1 LYS 75 -3.048 11.660 6.788
348 HZ2 LYS 75 HZ2 LYS 75 -4.430 10.753 6.442
349 HZ3 LYS 75 HZ3 LYS 75 -4.266 12.311 5.812
Start of MODEL 5
1 H1 GLN 28 HT1 GLN 28 -8.788 5.576 -6.314
2 H2 GLN 28 HT2 GLN 28 -10.346 5.099 -6.789
3 H3 GLN 28 HT3 GLN 28 -9.028 4.820 -7.810
4 HA GLN 28 HA GLN 28 -9.398 3.594 -5.144
5 HB2 GLN 28 HB2 GLN 28 -9.758 2.420 -7.909
6 HB3 GLN 28 HB1 GLN 28 -9.743 1.486 -6.420
7 HG2 GLN 28 HG2 GLN 28 -11.698 2.827 -5.648
8 HG3 GLN 28 HG1 GLN 28 -11.752 3.562 -7.248
9 HE21 GLN 28 HE21 GLN 28 -10.946 1.058 -8.558
10 HE22 GLN 28 HE22 GLN 28 -12.347 0.045 -8.536
11 H ALA 29 HN ALA 29 -7.267 4.068 -4.550
12 HA ALA 29 HA ALA 29 -5.304 2.322 -5.825
13 HB1 ALA 29 HB1 ALA 29 -3.590 4.059 -5.777
14 HB2 ALA 29 HB2 ALA 29 -4.778 5.222 -5.188
15 HB3 ALA 29 HB3 ALA 29 -4.944 4.533 -6.803
16 H VAL 30 HN VAL 30 -3.929 1.350 -4.403
17 HA VAL 30 HA VAL 30 -4.192 2.042 -1.569
18 HB VAL 30 HB VAL 30 -3.039 -0.030 -1.071
19 HG11 VAL 30 HG11 VAL 30 -5.422 -0.214 -1.453
20 HG12 VAL 30 HG12 VAL 30 -4.599 -1.667 -2.021
21 HG13 VAL 30 HG13 VAL 30 -5.148 -0.456 -3.178
22 HG21 VAL 30 HG21 VAL 30 -2.261 -1.556 -2.776
23 HG22 VAL 30 HG22 VAL 30 -1.450 0.002 -2.935
24 HG23 VAL 30 HG23 VAL 30 -2.755 -0.432 -4.041
25 H GLU 31 HN GLU 31 -2.428 2.749 -0.336
26 HA GLU 31 HA GLU 31 -0.063 3.480 -1.928
27 HB2 GLU 31 HB2 GLU 31 -1.423 5.437 -1.328
28 HB3 GLU 31 HB1 GLU 31 -1.267 5.009 0.371
29 HG2 GLU 31 HG2 GLU 31 1.132 5.356 0.263
30 HG3 GLU 31 HG1 GLU 31 1.021 5.713 -1.458
31 H TYR 32 HN TYR 32 1.776 2.721 -1.272
32 HA TYR 32 HA TYR 32 2.024 1.769 1.506
33 HB2 TYR 32 HB2 TYR 32 3.319 0.727 -1.018
34 HB3 TYR 32 HB1 TYR 32 3.813 0.242 0.598
35 HD1 TYR 32 HD1 TYR 32 2.396 -1.187 1.953
36 HD2 TYR 32 HD2 TYR 32 1.228 -0.050 -1.974
37 HE1 TYR 32 HE1 TYR 32 0.697 -2.961 1.955
38 HE2 TYR 32 HE2 TYR 32 -0.477 -1.824 -1.992
39 HH TYR 32 HH TYR 32 -1.324 -3.567 0.873
40 H ALA 33 HN ALA 33 3.702 2.504 2.696
41 HA ALA 33 HA ALA 33 5.661 4.224 1.330
42 HB1 ALA 33 HB1 ALA 33 3.988 5.568 2.547
43 HB2 ALA 33 HB2 ALA 33 5.619 5.764 3.184
44 HB3 ALA 33 HB3 ALA 33 4.455 4.754 4.040
45 H CYS 34 HN CYS 34 7.615 3.392 1.514
46 HA CYS 34 HA CYS 34 8.241 1.535 3.642
47 HB2 CYS 34 HB2 CYS 34 9.139 0.977 1.494
48 HB3 CYS 34 HB1 CYS 34 9.823 2.578 1.295
49 H GLU 35 HN GLU 35 10.072 1.809 5.030
50 HA GLU 35 HA GLU 35 10.047 4.357 6.300
51 HB2 GLU 35 HB2 GLU 35 11.717 3.311 7.828
52 HB3 GLU 35 HB1 GLU 35 10.231 2.391 7.655
53 HG2 GLU 35 HG2 GLU 35 11.411 0.955 5.982
54 HG3 GLU 35 HG1 GLU 35 12.897 1.803 6.404
55 H LYS 36 HN LYS 36 11.697 3.240 3.634
56 HA LYS 36 HA LYS 36 14.080 4.783 3.898
57 HB2 LYS 36 HB2 LYS 36 13.768 2.836 2.344
58 HB3 LYS 36 HB1 LYS 36 12.671 3.826 1.396
59 HG2 LYS 36 HG2 LYS 36 14.737 3.896 0.298
60 HG3 LYS 36 HG1 LYS 36 14.560 5.448 1.116
61 HD2 LYS 36 HD2 LYS 36 16.787 4.778 1.520
62 HD3 LYS 36 HD1 LYS 36 15.913 4.435 3.013
63 HE2 LYS 36 HE2 LYS 36 17.287 2.550 2.582
64 HE3 LYS 36 HE1 LYS 36 15.639 2.071 2.181
65 HZ1 LYS 36 HZ1 LYS 36 17.227 1.342 0.507
66 HZ2 LYS 36 HZ2 LYS 36 17.699 2.938 0.226
67 HZ3 LYS 36 HZ3 LYS 36 16.126 2.445 -0.153
68 H GLY 37 HN GLY 37 10.786 5.395 3.160
69 HA2 GLY 37 HA2 GLY 37 10.067 7.723 3.392
70 HA3 GLY 37 HA1 GLY 37 11.462 8.174 2.424
71 H HIS 38 HN HIS 38 10.727 5.595 0.830
72 HA HIS 38 HA HIS 38 9.449 7.034 -1.272
73 HB2 HIS 38 HB2 HIS 38 10.272 4.147 -0.973
74 HB3 HIS 38 HB1 HIS 38 9.515 4.778 -2.429
75 HD2 HIS 38 HD2 HIS 38 11.166 6.039 -4.167
76 HE1 HIS 38 HE1 HIS 38 14.640 5.818 -1.763
77 HE2 HIS 38 HE2 HIS 38 13.755 6.196 -4.104
78 H ARG 39 HN ARG 39 7.364 7.232 -1.675
79 HA ARG 39 HA ARG 39 5.505 5.200 -0.630
80 HB2 ARG 39 HB2 ARG 39 4.924 8.029 -1.535
81 HB3 ARG 39 HB1 ARG 39 3.717 6.871 -1.004
82 HG2 ARG 39 HG2 ARG 39 4.938 6.797 1.201
83 HG3 ARG 39 HG1 ARG 39 5.860 8.189 0.629
84 HD2 ARG 39 HD2 ARG 39 3.741 9.407 0.277
85 HD3 ARG 39 HD1 ARG 39 2.866 8.026 0.937
86 HE ARG 39 HE ARG 39 4.868 9.491 2.527
87 HH11 ARG 39 HH11 ARG 39 1.612 8.210 2.128
88 HH12 ARG 39 HH12 ARG 39 1.151 8.586 3.762
89 HH21 ARG 39 HH21 ARG 39 4.228 9.983 4.661
90 HH22 ARG 39 HH22 ARG 39 2.629 9.579 5.194
91 H PHE 40 HN PHE 40 3.886 4.415 -2.072
92 HA PHE 40 HA PHE 40 3.880 5.193 -4.825
93 HB2 PHE 40 HB2 PHE 40 4.506 2.939 -5.710
94 HB3 PHE 40 HB1 PHE 40 5.840 3.804 -4.961
95 HD1 PHE 40 HD2 PHE 40 6.634 3.125 -2.707
96 HD2 PHE 40 HD1 PHE 40 3.772 0.849 -4.883
97 HE1 PHE 40 HE2 PHE 40 7.091 1.188 -1.267
98 HE2 PHE 40 HE1 PHE 40 4.225 -1.096 -3.448
99 HZ PHE 40 HZ PHE 40 5.880 -0.929 -1.637
100 H GLU 41 HN GLU 41 2.192 4.212 -6.025
101 HA GLU 41 HA GLU 41 0.172 2.946 -4.310
102 HB2 GLU 41 HB2 GLU 41 -1.488 3.878 -5.963
103 HB3 GLU 41 HB1 GLU 41 -0.653 5.068 -4.978
104 HG2 GLU 41 HG2 GLU 41 0.813 5.615 -6.816
105 HG3 GLU 41 HG1 GLU 41 0.080 4.356 -7.806
106 H MET 42 HN MET 42 -0.946 1.178 -5.051
107 HA MET 42 HA MET 42 -0.057 0.008 -7.595
108 HB2 MET 42 HB2 MET 42 -0.054 -1.346 -4.889
109 HB3 MET 42 HB1 MET 42 0.015 -2.237 -6.407
110 HG2 MET 42 HG2 MET 42 2.073 -0.918 -6.974
111 HG3 MET 42 HG1 MET 42 2.038 -0.293 -5.327
112 HE1 MET 42 HE1 MET 42 0.947 -2.881 -3.770
113 HE2 MET 42 HE2 MET 42 2.251 -1.865 -3.163
114 HE3 MET 42 HE3 MET 42 2.464 -3.614 -3.254
115 HA PRO 43 HA PRO 43 -4.337 -0.975 -8.062
116 HB2 PRO 43 HB2 PRO 43 -4.234 -3.052 -9.778
117 HB3 PRO 43 HB1 PRO 43 -3.829 -1.402 -10.262
118 HG2 PRO 43 HG2 PRO 43 -2.017 -3.675 -9.576
119 HG3 PRO 43 HG1 PRO 43 -1.862 -2.463 -10.860
120 HD2 PRO 43 HD2 PRO 43 -0.512 -2.352 -8.477
121 HD3 PRO 43 HD1 PRO 43 -0.905 -0.929 -9.460
122 H PHE 44 HN PHE 44 -5.572 -1.849 -6.595
123 HA PHE 44 HA PHE 44 -5.463 -4.719 -6.089
124 HB2 PHE 44 HB2 PHE 44 -5.122 -2.572 -4.038
125 HB3 PHE 44 HB1 PHE 44 -6.092 -3.974 -3.600
126 HD1 PHE 44 HD2 PHE 44 -5.049 -6.231 -3.581
127 HD2 PHE 44 HD1 PHE 44 -2.768 -2.692 -4.200
128 HE1 PHE 44 HE2 PHE 44 -2.990 -7.468 -3.056
129 HE2 PHE 44 HE1 PHE 44 -0.705 -3.925 -3.680
130 HZ PHE 44 HZ PHE 44 -0.845 -6.353 -3.064
131 H SER 45 HN SER 45 -7.524 -5.128 -4.506
132 HA SER 45 HA SER 45 -9.782 -3.913 -5.903
133 HB2 SER 45 HB2 SER 45 -9.664 -6.394 -5.599
134 HB3 SER 45 HB1 SER 45 -9.755 -6.125 -3.860
135 HG SER 45 HG SER 45 -11.732 -5.857 -5.810
136 H VAL 46 HN VAL 46 -11.295 -2.676 -4.917
137 HA VAL 46 HA VAL 46 -10.527 -1.323 -2.518
138 HB VAL 46 HB VAL 46 -11.701 -0.349 -4.560
139 HG11 VAL 46 HG11 VAL 46 -14.137 -1.468 -3.188
140 HG12 VAL 46 HG12 VAL 46 -13.491 -1.980 -4.747
141 HG13 VAL 46 HG13 VAL 46 -14.136 -0.351 -4.553
142 HG21 VAL 46 HG21 VAL 46 -12.991 1.285 -3.185
143 HG22 VAL 46 HG22 VAL 46 -11.339 1.015 -2.639
144 HG23 VAL 46 HG23 VAL 46 -12.685 0.262 -1.781
145 H GLU 47 HN GLU 47 -12.253 -4.134 -3.177
146 HA GLU 47 HA GLU 47 -13.674 -4.023 -0.605
147 HB2 GLU 47 HB2 GLU 47 -14.052 -5.885 -2.956
148 HB3 GLU 47 HB1 GLU 47 -14.982 -5.936 -1.465
149 HG2 GLU 47 HG2 GLU 47 -15.878 -3.733 -1.914
150 HG3 GLU 47 HG1 GLU 47 -14.895 -3.610 -3.372
151 H ALA 48 HN ALA 48 -10.770 -4.786 -1.538
152 HA ALA 48 HA ALA 48 -10.586 -7.452 -0.359
153 HB1 ALA 48 HB1 ALA 48 -8.186 -7.284 -1.060
154 HB2 ALA 48 HB2 ALA 48 -8.569 -5.724 -1.794
155 HB3 ALA 48 HB3 ALA 48 -9.346 -7.195 -2.381
156 H GLU 49 HN GLU 49 -8.934 -7.862 1.266
157 HA GLU 49 HA GLU 49 -8.753 -5.710 3.214
158 HB2 GLU 49 HB2 GLU 49 -7.934 -8.618 3.330
159 HB3 GLU 49 HB1 GLU 49 -7.754 -7.485 4.663
160 HG2 GLU 49 HG2 GLU 49 -10.149 -7.184 4.776
161 HG3 GLU 49 HG1 GLU 49 -10.368 -8.226 3.372
162 H ILE 50 HN ILE 50 -7.340 -4.346 2.107
163 HA ILE 50 HA ILE 50 -4.985 -5.091 0.822
164 HB ILE 50 HB ILE 50 -5.524 -2.439 2.175
165 HG12 ILE 50 HG12 ILE 50 -7.365 -2.909 0.711
166 HG13 ILE 50 HG11 ILE 50 -6.320 -1.753 -0.106
167 HG21 ILE 50 HG21 ILE 50 -3.751 -3.074 -0.182
168 HG22 ILE 50 HG22 ILE 50 -3.180 -2.805 1.465
169 HG23 ILE 50 HG23 ILE 50 -3.972 -1.498 0.581
170 HD11 ILE 50 HD11 ILE 50 -5.355 -3.604 -1.413
171 HD12 ILE 50 HD12 ILE 50 -7.089 -3.411 -1.664
172 HD13 ILE 50 HD13 ILE 50 -6.487 -4.709 -0.634
173 HA PRO 51 HA PRO 51 -2.565 -6.595 4.236
174 HB2 PRO 51 HB2 PRO 51 -0.415 -6.011 2.256
175 HB3 PRO 51 HB1 PRO 51 -0.710 -7.477 3.196
176 HG2 PRO 51 HG2 PRO 51 -1.342 -7.391 0.621
177 HG3 PRO 51 HG1 PRO 51 -2.409 -8.198 1.786
178 HD2 PRO 51 HD2 PRO 51 -2.711 -5.544 0.456
179 HD3 PRO 51 HD1 PRO 51 -3.949 -6.742 0.890
180 HA PRO 52 HA PRO 52 -1.320 -2.738 6.117
181 HB2 PRO 52 HB2 PRO 52 0.135 -4.569 7.940
182 HB3 PRO 52 HB1 PRO 52 -1.049 -3.313 8.315
183 HG2 PRO 52 HG2 PRO 52 -1.720 -5.879 8.465
184 HG3 PRO 52 HG1 PRO 52 -2.857 -4.683 7.812
185 HD2 PRO 52 HD2 PRO 52 -1.122 -6.644 6.351
186 HD3 PRO 52 HD1 PRO 52 -2.811 -6.186 6.048
187 H GLU 53 HN GLU 53 0.841 -5.226 5.011
188 HA GLU 53 HA GLU 53 2.830 -3.146 4.524
189 HB2 GLU 53 HB2 GLU 53 4.671 -4.469 5.305
190 HB3 GLU 53 HB1 GLU 53 3.498 -4.359 6.605
191 HG2 GLU 53 HG2 GLU 53 3.722 -6.727 4.763
192 HG3 GLU 53 HG1 GLU 53 4.579 -6.594 6.295
193 H TRP 54 HN TRP 54 4.131 -3.514 2.696
194 HA TRP 54 HA TRP 54 3.829 -6.023 1.287
195 HB2 TRP 54 HB2 TRP 54 1.994 -4.430 0.474
196 HB3 TRP 54 HB1 TRP 54 3.296 -3.477 -0.232
197 HD1 TRP 54 HD1 TRP 54 4.532 -4.486 -2.382
198 HE1 TRP 54 HE1 TRP 54 3.895 -6.365 -4.021
199 HE3 TRP 54 HE3 TRP 54 0.816 -6.709 0.335
200 HZ2 TRP 54 HZ2 TRP 54 2.056 -8.496 -4.149
201 HZ3 TRP 54 HZ3 TRP 54 -0.331 -8.662 -0.624
202 HH2 TRP 54 HH2 TRP 54 0.277 -9.536 -2.818
203 H GLU 55 HN GLU 55 5.495 -6.300 -0.360
204 HA GLU 55 HA GLU 55 7.973 -5.122 0.330
205 HB2 GLU 55 HB2 GLU 55 7.835 -7.351 -0.667
206 HB3 GLU 55 HB1 GLU 55 7.196 -6.664 -2.153
207 HG2 GLU 55 HG2 GLU 55 9.292 -5.466 -2.505
208 HG3 GLU 55 HG1 GLU 55 9.933 -6.144 -1.010
209 H CYS 56 HN CYS 56 9.155 -3.522 -0.613
210 HA CYS 56 HA CYS 56 7.692 -1.555 -2.121
211 HB2 CYS 56 HB2 CYS 56 9.122 -0.713 -0.403
212 HB3 CYS 56 HB1 CYS 56 10.494 -1.637 -1.002
213 H LYS 57 HN LYS 57 7.436 -1.840 -4.209
214 HA LYS 57 HA LYS 57 9.281 -3.278 -5.859
215 HB2 LYS 57 HB2 LYS 57 6.718 -1.816 -6.284
216 HB3 LYS 57 HB1 LYS 57 7.744 -2.094 -7.680
217 HG2 LYS 57 HG2 LYS 57 6.084 -3.820 -7.545
218 HG3 LYS 57 HG1 LYS 57 7.669 -4.513 -7.226
219 HD2 LYS 57 HD2 LYS 57 6.026 -3.618 -4.912
220 HD3 LYS 57 HD1 LYS 57 5.564 -5.104 -5.743
221 HE2 LYS 57 HE2 LYS 57 8.286 -4.519 -4.577
222 HE3 LYS 57 HE1 LYS 57 7.047 -5.520 -3.826
223 HZ1 LYS 57 HZ1 LYS 57 7.172 -7.014 -5.737
224 HZ2 LYS 57 HZ2 LYS 57 8.665 -6.886 -4.949
225 HZ3 LYS 57 HZ3 LYS 57 8.403 -6.070 -6.410
226 H VAL 58 HN VAL 58 9.560 -0.292 -4.530
227 HA VAL 58 HA VAL 58 10.499 1.027 -6.967
228 HB VAL 58 HB VAL 58 10.041 2.199 -4.222
229 HG11 VAL 58 HG11 VAL 58 10.229 4.365 -5.355
230 HG12 VAL 58 HG12 VAL 58 10.630 3.538 -6.860
231 HG13 VAL 58 HG13 VAL 58 11.721 3.433 -5.478
232 HG21 VAL 58 HG21 VAL 58 7.957 1.475 -5.239
233 HG22 VAL 58 HG22 VAL 58 8.360 2.339 -6.722
234 HG23 VAL 58 HG23 VAL 58 8.057 3.236 -5.234
235 H CYS 59 HN CYS 59 11.638 0.676 -3.567
236 HA CYS 59 HA CYS 59 14.308 1.330 -4.610
237 HB2 CYS 59 HB2 CYS 59 13.328 2.842 -2.899
238 HB3 CYS 59 HB1 CYS 59 13.312 1.498 -1.762
239 H GLY 60 HN GLY 60 12.746 -0.862 -2.248
240 HA2 GLY 60 HA2 GLY 60 13.524 -3.248 -2.737
241 HA3 GLY 60 HA1 GLY 60 15.133 -2.583 -2.499
242 H ALA 61 HN ALA 61 12.027 -2.402 -0.761
243 HA ALA 61 HA ALA 61 13.206 -3.594 1.597
244 HB1 ALA 61 HB1 ALA 61 12.231 -0.727 1.660
245 HB2 ALA 61 HB2 ALA 61 13.908 -1.249 1.831
246 HB3 ALA 61 HB3 ALA 61 12.720 -1.681 3.063
247 H GLN 62 HN GLN 62 11.303 -3.103 3.456
248 HA GLN 62 HA GLN 62 8.830 -3.949 2.138
249 HB2 GLN 62 HB2 GLN 62 9.602 -5.349 4.010
250 HB3 GLN 62 HB1 GLN 62 9.529 -3.956 5.083
251 HG2 GLN 62 HG2 GLN 62 7.118 -3.794 4.707
252 HG3 GLN 62 HG1 GLN 62 7.193 -5.195 3.642
253 HE21 GLN 62 HE21 GLN 62 7.495 -7.230 4.525
254 HE22 GLN 62 HE22 GLN 62 7.263 -7.546 6.209
255 H ALA 63 HN ALA 63 7.252 -2.567 1.817
256 HA ALA 63 HA ALA 63 7.371 0.046 3.127
257 HB1 ALA 63 HB1 ALA 63 5.893 0.808 1.357
258 HB2 ALA 63 HB2 ALA 63 5.773 -0.836 0.730
259 HB3 ALA 63 HB3 ALA 63 7.315 0.017 0.678
260 H LEU 64 HN LEU 64 5.700 0.814 4.366
261 HA LEU 64 HA LEU 64 3.780 -1.196 5.248
262 HB2 LEU 64 HB2 LEU 64 4.441 1.535 6.355
263 HB3 LEU 64 HB1 LEU 64 3.303 0.410 7.071
264 HG LEU 64 HG LEU 64 6.270 -0.069 6.755
265 HD11 LEU 64 HD11 LEU 64 4.630 0.551 9.209
266 HD12 LEU 64 HD12 LEU 64 5.774 1.637 8.423
267 HD13 LEU 64 HD13 LEU 64 6.348 0.153 9.184
268 HD21 LEU 64 HD21 LEU 64 4.123 -1.721 8.088
269 HD22 LEU 64 HD22 LEU 64 5.855 -2.029 8.190
270 HD23 LEU 64 HD23 LEU 64 5.029 -2.149 6.638
271 H LEU 65 HN LEU 65 1.648 -1.069 4.912
272 HA LEU 65 HA LEU 65 0.625 0.673 2.903
273 HB2 LEU 65 HB2 LEU 65 -0.135 -1.666 3.333
274 HB3 LEU 65 HB1 LEU 65 -0.828 -1.125 4.850
275 HG LEU 65 HG LEU 65 -2.445 -1.477 2.942
276 HD11 LEU 65 HD11 LEU 65 -2.395 1.251 4.218
277 HD12 LEU 65 HD12 LEU 65 -3.080 -0.216 4.919
278 HD13 LEU 65 HD13 LEU 65 -3.796 0.485 3.468
279 HD21 LEU 65 HD21 LEU 65 -2.666 0.309 1.306
280 HD22 LEU 65 HD22 LEU 65 -1.101 -0.495 1.171
281 HD23 LEU 65 HD23 LEU 65 -1.218 1.083 1.950
282 H VAL 66 HN VAL 66 0.021 2.729 3.194
283 HA VAL 66 HA VAL 66 -0.424 3.617 5.955
284 HB VAL 66 HB VAL 66 0.103 5.919 5.083
285 HG11 VAL 66 HG11 VAL 66 2.510 5.559 5.033
286 HG12 VAL 66 HG12 VAL 66 2.263 3.842 4.722
287 HG13 VAL 66 HG13 VAL 66 1.760 4.540 6.263
288 HG21 VAL 66 HG21 VAL 66 1.292 6.095 2.949
289 HG22 VAL 66 HG22 VAL 66 -0.363 5.528 2.715
290 HG23 VAL 66 HG23 VAL 66 0.980 4.388 2.634
291 H ASP 67 HN ASP 67 -2.451 3.751 6.474
292 HA ASP 67 HA ASP 67 -4.601 4.414 6.575
293 HB2 ASP 67 HB2 ASP 67 -3.666 6.270 4.417
294 HB3 ASP 67 HB1 ASP 67 -5.367 6.191 4.857
295 H GLY 68 HN GLY 68 -5.354 2.411 6.131
296 HA2 GLY 68 HA2 GLY 68 -7.259 2.264 4.094
297 HA3 GLY 68 HA1 GLY 68 -5.851 1.349 3.567
298 H ASP 69 HN ASP 69 -5.106 -0.384 4.883
299 HA ASP 69 HA ASP 69 -5.505 -2.428 5.804
300 HB2 ASP 69 HB2 ASP 69 -5.214 -0.881 7.794
301 HB3 ASP 69 HB1 ASP 69 -6.969 -0.862 7.936
302 H GLY 70 HN GLY 70 -7.235 -1.939 3.814
303 HA2 GLY 70 HA2 GLY 70 -9.238 -3.684 3.856
304 HA3 GLY 70 HA1 GLY 70 -9.964 -2.329 4.712
305 HA PRO 71 HA PRO 71 -11.094 -1.047 0.592
306 HB2 PRO 71 HB2 PRO 71 -12.177 1.351 1.256
307 HB3 PRO 71 HB1 PRO 71 -13.023 -0.185 1.471
308 HG2 PRO 71 HG2 PRO 71 -11.557 1.470 3.484
309 HG3 PRO 71 HG1 PRO 71 -13.091 0.598 3.652
310 HD2 PRO 71 HD2 PRO 71 -10.742 -0.360 4.611
311 HD3 PRO 71 HD1 PRO 71 -12.048 -1.416 4.037
312 H GLU 72 HN GLU 72 -9.700 -0.280 -0.839
313 HA GLU 72 HA GLU 72 -7.533 1.428 -0.126
314 HB2 GLU 72 HB2 GLU 72 -6.841 1.245 -2.396
315 HB3 GLU 72 HB1 GLU 72 -7.498 -0.324 -1.949
316 HG2 GLU 72 HG2 GLU 72 -9.596 0.254 -3.068
317 HG3 GLU 72 HG1 GLU 72 -8.908 1.803 -3.539
318 H GLU 73 HN GLU 73 -7.094 3.514 -1.073
319 HA GLU 73 HA GLU 73 -7.534 5.635 -1.759
320 HB2 GLU 73 HB2 GLU 73 -8.809 4.468 -3.585
321 HB3 GLU 73 HB1 GLU 73 -10.263 4.675 -2.618
322 HG2 GLU 73 HG2 GLU 73 -10.280 6.427 -4.170
323 HG3 GLU 73 HG1 GLU 73 -9.758 7.155 -2.650
324 H LYS 74 HN LYS 74 -10.183 4.048 -0.068
325 HA LYS 74 HA LYS 74 -11.499 6.306 0.905
326 HB2 LYS 74 HB2 LYS 74 -12.360 3.962 0.914
327 HB3 LYS 74 HB1 LYS 74 -11.277 3.612 2.254
328 HG2 LYS 74 HG2 LYS 74 -12.432 5.188 3.662
329 HG3 LYS 74 HG1 LYS 74 -13.448 5.697 2.313
330 HD2 LYS 74 HD2 LYS 74 -13.383 2.937 3.530
331 HD3 LYS 74 HD1 LYS 74 -14.630 4.154 3.803
332 HE2 LYS 74 HE2 LYS 74 -15.130 4.124 1.379
333 HE3 LYS 74 HE1 LYS 74 -13.948 2.835 1.176
334 HZ1 LYS 74 HZ1 LYS 74 -16.433 2.695 2.792
335 HZ2 LYS 74 HZ2 LYS 74 -15.280 1.467 2.689
336 HZ3 LYS 74 HZ3 LYS 74 -16.152 1.923 1.315
337 H LYS 75 HN LYS 75 -8.898 4.380 2.346
338 HA LYS 75 HA LYS 75 -7.340 4.854 3.917
339 HB2 LYS 75 HB2 LYS 75 -8.128 7.682 3.215
340 HB3 LYS 75 HB1 LYS 75 -6.792 7.287 4.284
341 HG2 LYS 75 HG2 LYS 75 -5.695 6.075 2.462
342 HG3 LYS 75 HG1 LYS 75 -7.041 6.481 1.393
343 HD2 LYS 75 HD2 LYS 75 -6.559 8.854 1.670
344 HD3 LYS 75 HD1 LYS 75 -5.237 8.465 2.771
345 HE2 LYS 75 HE2 LYS 75 -4.067 7.303 0.981
346 HE3 LYS 75 HE1 LYS 75 -5.403 7.631 -0.122
347 HZ1 LYS 75 HZ1 LYS 75 -3.597 9.194 -0.439
348 HZ2 LYS 75 HZ2 LYS 75 -3.688 9.679 1.177
349 HZ3 LYS 75 HZ3 LYS 75 -4.972 9.996 0.125
Start of MODEL 6
1 H1 GLN 28 HT1 GLN 28 -10.419 4.829 -6.918
2 H2 GLN 28 HT2 GLN 28 -9.243 4.448 -8.067
3 H3 GLN 28 HT3 GLN 28 -8.804 5.277 -6.657
4 HA GLN 28 HA GLN 28 -9.422 3.354 -5.319
5 HB2 GLN 28 HB2 GLN 28 -9.950 2.161 -8.049
6 HB3 GLN 28 HB1 GLN 28 -9.746 1.191 -6.599
7 HG2 GLN 28 HG2 GLN 28 -11.695 2.189 -5.602
8 HG3 GLN 28 HG1 GLN 28 -11.863 3.294 -6.966
9 HE21 GLN 28 HE21 GLN 28 -12.142 -0.015 -5.918
10 HE22 GLN 28 HE22 GLN 28 -13.119 -0.556 -7.233
11 H ALA 29 HN ALA 29 -7.186 3.998 -4.975
12 HA ALA 29 HA ALA 29 -5.396 1.942 -6.030
13 HB1 ALA 29 HB1 ALA 29 -4.963 3.938 -7.386
14 HB2 ALA 29 HB2 ALA 29 -3.582 3.535 -6.368
15 HB3 ALA 29 HB3 ALA 29 -4.650 4.865 -5.920
16 H VAL 30 HN VAL 30 -4.050 1.104 -4.482
17 HA VAL 30 HA VAL 30 -4.327 2.194 -1.786
18 HB VAL 30 HB VAL 30 -3.338 0.173 -0.965
19 HG11 VAL 30 HG11 VAL 30 -4.829 -1.555 -1.895
20 HG12 VAL 30 HG12 VAL 30 -5.240 -0.463 -3.216
21 HG13 VAL 30 HG13 VAL 30 -5.668 -0.042 -1.558
22 HG21 VAL 30 HG21 VAL 30 -1.549 -0.071 -2.581
23 HG22 VAL 30 HG22 VAL 30 -2.713 -0.536 -3.821
24 HG23 VAL 30 HG23 VAL 30 -2.458 -1.574 -2.418
25 H GLU 31 HN GLU 31 -2.517 2.778 -0.501
26 HA GLU 31 HA GLU 31 -0.175 3.547 -2.110
27 HB2 GLU 31 HB2 GLU 31 -1.490 5.027 0.167
28 HB3 GLU 31 HB1 GLU 31 0.026 5.507 -0.585
29 HG2 GLU 31 HG2 GLU 31 -1.103 5.847 -2.700
30 HG3 GLU 31 HG1 GLU 31 -2.623 5.297 -2.000
31 H TYR 32 HN TYR 32 1.679 2.697 -1.497
32 HA TYR 32 HA TYR 32 1.960 1.804 1.300
33 HB2 TYR 32 HB2 TYR 32 3.213 0.742 -1.235
34 HB3 TYR 32 HB1 TYR 32 3.807 0.322 0.367
35 HD1 TYR 32 HD2 TYR 32 1.062 -0.098 -2.029
36 HD2 TYR 32 HD1 TYR 32 2.558 -1.156 1.808
37 HE1 TYR 32 HE2 TYR 32 -0.579 -1.925 -1.905
38 HE2 TYR 32 HE1 TYR 32 0.923 -2.987 1.948
39 HH TYR 32 HH TYR 32 -1.170 -3.652 1.026
40 H ALA 33 HN ALA 33 3.658 2.532 2.477
41 HA ALA 33 HA ALA 33 5.551 4.329 1.108
42 HB1 ALA 33 HB1 ALA 33 4.025 5.606 2.495
43 HB2 ALA 33 HB2 ALA 33 5.654 5.654 3.162
44 HB3 ALA 33 HB3 ALA 33 4.434 4.610 3.893
45 H CYS 34 HN CYS 34 7.588 3.685 1.200
46 HA CYS 34 HA CYS 34 8.253 1.356 2.772
47 HB2 CYS 34 HB2 CYS 34 10.342 1.373 1.516
48 HB3 CYS 34 HB1 CYS 34 8.976 1.561 0.421
49 H GLU 35 HN GLU 35 10.328 1.272 3.937
50 HA GLU 35 HA GLU 35 10.594 3.416 5.814
51 HB2 GLU 35 HB2 GLU 35 12.423 2.032 6.746
52 HB3 GLU 35 HB1 GLU 35 10.939 1.116 6.523
53 HG2 GLU 35 HG2 GLU 35 11.798 0.068 4.556
54 HG3 GLU 35 HG1 GLU 35 13.218 1.112 4.562
55 H LYS 36 HN LYS 36 11.510 3.313 2.721
56 HA LYS 36 HA LYS 36 14.200 4.374 3.120
57 HB2 LYS 36 HB2 LYS 36 12.886 3.733 0.500
58 HB3 LYS 36 HB1 LYS 36 14.598 3.965 0.811
59 HG2 LYS 36 HG2 LYS 36 12.889 1.679 1.762
60 HG3 LYS 36 HG1 LYS 36 14.124 1.619 0.508
61 HD2 LYS 36 HD2 LYS 36 14.668 2.325 3.388
62 HD3 LYS 36 HD1 LYS 36 14.841 0.702 2.723
63 HE2 LYS 36 HE2 LYS 36 16.534 1.470 1.188
64 HE3 LYS 36 HE1 LYS 36 16.310 3.136 1.726
65 HZ1 LYS 36 HZ1 LYS 36 17.061 2.470 3.934
66 HZ2 LYS 36 HZ2 LYS 36 18.240 2.151 2.767
67 HZ3 LYS 36 HZ3 LYS 36 17.306 0.889 3.394
68 H GLY 37 HN GLY 37 11.129 5.496 2.992
69 HA2 GLY 37 HA2 GLY 37 10.661 7.791 3.265
70 HA3 GLY 37 HA1 GLY 37 12.131 8.173 2.386
71 H HIS 38 HN HIS 38 10.348 5.787 0.778
72 HA HIS 38 HA HIS 38 9.269 7.864 -1.012
73 HB2 HIS 38 HB2 HIS 38 10.048 5.022 -1.709
74 HB3 HIS 38 HB1 HIS 38 9.443 6.231 -2.834
75 HD2 HIS 38 HD2 HIS 38 12.705 5.229 -1.008
76 HE1 HIS 38 HE1 HIS 38 13.574 8.385 -3.686
77 HE2 HIS 38 HE2 HIS 38 14.552 6.501 -2.306
78 H ARG 39 HN ARG 39 7.255 7.461 -2.048
79 HA ARG 39 HA ARG 39 5.554 5.429 -0.739
80 HB2 ARG 39 HB2 ARG 39 4.638 8.101 -1.825
81 HB3 ARG 39 HB1 ARG 39 3.646 6.912 -1.003
82 HG2 ARG 39 HG2 ARG 39 4.905 7.286 1.059
83 HG3 ARG 39 HG1 ARG 39 5.892 8.492 0.229
84 HD2 ARG 39 HD2 ARG 39 3.850 9.798 -0.237
85 HD3 ARG 39 HD1 ARG 39 2.908 8.613 0.664
86 HE ARG 39 HE ARG 39 5.030 9.650 2.240
87 HH11 ARG 39 HH11 ARG 39 1.856 10.437 1.002
88 HH12 ARG 39 HH12 ARG 39 1.483 11.541 2.286
89 HH21 ARG 39 HH21 ARG 39 4.546 11.113 3.942
90 HH22 ARG 39 HH22 ARG 39 3.014 11.923 3.962
91 H PHE 40 HN PHE 40 4.108 4.328 -2.141
92 HA PHE 40 HA PHE 40 4.111 5.071 -4.948
93 HB2 PHE 40 HB2 PHE 40 4.653 2.759 -5.696
94 HB3 PHE 40 HB1 PHE 40 5.999 3.598 -4.942
95 HD1 PHE 40 HD2 PHE 40 6.636 2.997 -2.591
96 HD2 PHE 40 HD1 PHE 40 3.874 0.709 -4.880
97 HE1 PHE 40 HE2 PHE 40 6.996 1.081 -1.097
98 HE2 PHE 40 HE1 PHE 40 4.231 -1.217 -3.391
99 HZ PHE 40 HZ PHE 40 5.793 -1.033 -1.497
100 H GLU 41 HN GLU 41 2.490 4.031 -6.202
101 HA GLU 41 HA GLU 41 0.202 3.226 -4.532
102 HB2 GLU 41 HB2 GLU 41 0.198 4.523 -7.264
103 HB3 GLU 41 HB1 GLU 41 -1.218 4.151 -6.292
104 HG2 GLU 41 HG2 GLU 41 -0.600 5.772 -4.653
105 HG3 GLU 41 HG1 GLU 41 0.951 6.049 -5.445
106 H MET 42 HN MET 42 -0.880 1.378 -5.002
107 HA MET 42 HA MET 42 -0.264 0.002 -7.516
108 HB2 MET 42 HB2 MET 42 -0.131 -1.260 -4.765
109 HB3 MET 42 HB1 MET 42 -0.184 -2.183 -6.263
110 HG2 MET 42 HG2 MET 42 1.894 -0.903 -6.955
111 HG3 MET 42 HG1 MET 42 1.985 -0.351 -5.286
112 HE1 MET 42 HE1 MET 42 2.340 -3.806 -3.397
113 HE2 MET 42 HE2 MET 42 0.838 -2.978 -3.807
114 HE3 MET 42 HE3 MET 42 2.213 -2.059 -3.199
115 HA PRO 43 HA PRO 43 -4.646 -0.600 -7.370
116 HB2 PRO 43 HB2 PRO 43 -4.955 -2.347 -9.385
117 HB3 PRO 43 HB1 PRO 43 -4.468 -0.672 -9.669
118 HG2 PRO 43 HG2 PRO 43 -2.812 -3.154 -9.659
119 HG3 PRO 43 HG1 PRO 43 -2.694 -1.729 -10.705
120 HD2 PRO 43 HD2 PRO 43 -1.092 -2.231 -8.492
121 HD3 PRO 43 HD1 PRO 43 -1.336 -0.641 -9.238
122 H PHE 44 HN PHE 44 -5.683 -1.674 -5.837
123 HA PHE 44 HA PHE 44 -5.431 -4.606 -5.744
124 HB2 PHE 44 HB2 PHE 44 -5.446 -2.629 -3.506
125 HB3 PHE 44 HB1 PHE 44 -6.309 -4.147 -3.258
126 HD1 PHE 44 HD1 PHE 44 -3.015 -2.655 -3.990
127 HD2 PHE 44 HD2 PHE 44 -5.132 -6.165 -2.856
128 HE1 PHE 44 HE1 PHE 44 -0.889 -3.742 -3.397
129 HE2 PHE 44 HE2 PHE 44 -3.011 -7.255 -2.260
130 HZ PHE 44 HZ PHE 44 -0.902 -6.089 -2.550
131 H SER 45 HN SER 45 -7.503 -5.368 -4.366
132 HA SER 45 HA SER 45 -9.822 -4.238 -5.696
133 HB2 SER 45 HB2 SER 45 -9.744 -6.385 -3.599
134 HB3 SER 45 HB1 SER 45 -11.022 -6.094 -4.776
135 HG SER 45 HG SER 45 -8.728 -6.459 -6.087
136 H VAL 46 HN VAL 46 -11.232 -2.878 -4.766
137 HA VAL 46 HA VAL 46 -10.518 -1.663 -2.269
138 HB VAL 46 HB VAL 46 -11.543 -0.581 -4.373
139 HG11 VAL 46 HG11 VAL 46 -14.057 -1.508 -3.007
140 HG12 VAL 46 HG12 VAL 46 -13.489 -1.975 -4.609
141 HG13 VAL 46 HG13 VAL 46 -13.987 -0.312 -4.301
142 HG21 VAL 46 HG21 VAL 46 -12.629 1.184 -3.004
143 HG22 VAL 46 HG22 VAL 46 -11.032 0.710 -2.430
144 HG23 VAL 46 HG23 VAL 46 -12.475 0.124 -1.600
145 H GLU 47 HN GLU 47 -12.376 -4.298 -3.181
146 HA GLU 47 HA GLU 47 -14.010 -4.239 -0.752
147 HB2 GLU 47 HB2 GLU 47 -14.033 -6.117 -3.121
148 HB3 GLU 47 HB1 GLU 47 -15.130 -6.211 -1.752
149 HG2 GLU 47 HG2 GLU 47 -16.106 -4.097 -2.312
150 HG3 GLU 47 HG1 GLU 47 -14.907 -3.831 -3.577
151 H ALA 48 HN ALA 48 -10.986 -4.976 -1.376
152 HA ALA 48 HA ALA 48 -10.946 -7.600 -0.055
153 HB1 ALA 48 HB1 ALA 48 -9.719 -7.563 -2.126
154 HB2 ALA 48 HB2 ALA 48 -8.567 -7.672 -0.797
155 HB3 ALA 48 HB3 ALA 48 -8.814 -6.130 -1.623
156 H GLU 49 HN GLU 49 -9.385 -7.967 1.620
157 HA GLU 49 HA GLU 49 -9.036 -5.778 3.445
158 HB2 GLU 49 HB2 GLU 49 -7.883 -8.578 3.501
159 HB3 GLU 49 HB1 GLU 49 -7.865 -7.438 4.837
160 HG2 GLU 49 HG2 GLU 49 -10.347 -8.577 3.577
161 HG3 GLU 49 HG1 GLU 49 -9.598 -9.168 5.057
162 H ILE 50 HN ILE 50 -7.701 -4.252 2.545
163 HA ILE 50 HA ILE 50 -5.492 -4.752 0.911
164 HB ILE 50 HB ILE 50 -5.796 -2.348 2.715
165 HG12 ILE 50 HG12 ILE 50 -7.870 -2.639 1.482
166 HG13 ILE 50 HG11 ILE 50 -6.968 -1.294 0.795
167 HG21 ILE 50 HG21 ILE 50 -3.618 -2.598 1.607
168 HG22 ILE 50 HG22 ILE 50 -4.502 -1.194 1.011
169 HG23 ILE 50 HG23 ILE 50 -4.429 -2.667 0.044
170 HD11 ILE 50 HD11 ILE 50 -7.154 -4.075 -0.333
171 HD12 ILE 50 HD12 ILE 50 -6.195 -2.762 -1.013
172 HD13 ILE 50 HD13 ILE 50 -7.952 -2.630 -0.953
173 HA PRO 51 HA PRO 51 -2.707 -6.677 3.830
174 HB2 PRO 51 HB2 PRO 51 -0.758 -5.789 1.758
175 HB3 PRO 51 HB1 PRO 51 -0.964 -7.380 2.499
176 HG2 PRO 51 HG2 PRO 51 -1.821 -6.913 0.022
177 HG3 PRO 51 HG1 PRO 51 -2.755 -7.930 1.135
178 HD2 PRO 51 HD2 PRO 51 -3.254 -5.125 0.256
179 HD3 PRO 51 HD1 PRO 51 -4.412 -6.415 0.637
180 HA PRO 52 HA PRO 52 -1.540 -2.918 5.970
181 HB2 PRO 52 HB2 PRO 52 -0.088 -4.805 7.724
182 HB3 PRO 52 HB1 PRO 52 -1.343 -3.631 8.129
183 HG2 PRO 52 HG2 PRO 52 -1.860 -6.251 8.097
184 HG3 PRO 52 HG1 PRO 52 -3.060 -5.068 7.546
185 HD2 PRO 52 HD2 PRO 52 -1.263 -6.837 5.936
186 HD3 PRO 52 HD1 PRO 52 -2.963 -6.403 5.662
187 H GLU 53 HN GLU 53 0.575 -5.173 4.532
188 HA GLU 53 HA GLU 53 2.612 -3.179 4.242
189 HB2 GLU 53 HB2 GLU 53 4.422 -4.699 5.149
190 HB3 GLU 53 HB1 GLU 53 3.379 -3.950 6.350
191 HG2 GLU 53 HG2 GLU 53 2.053 -6.067 6.387
192 HG3 GLU 53 HG1 GLU 53 3.297 -6.789 5.369
193 H TRP 54 HN TRP 54 3.936 -3.556 2.518
194 HA TRP 54 HA TRP 54 3.780 -6.125 1.161
195 HB2 TRP 54 HB2 TRP 54 2.002 -4.509 0.248
196 HB3 TRP 54 HB1 TRP 54 3.349 -3.572 -0.386
197 HD1 TRP 54 HD1 TRP 54 4.693 -4.609 -2.472
198 HE1 TRP 54 HE1 TRP 54 4.071 -6.442 -4.175
199 HE3 TRP 54 HE3 TRP 54 0.760 -6.726 0.015
200 HZ2 TRP 54 HZ2 TRP 54 2.163 -8.502 -4.427
201 HZ3 TRP 54 HZ3 TRP 54 -0.412 -8.620 -1.029
202 HH2 TRP 54 HH2 TRP 54 0.275 -9.489 -3.204
203 H GLU 55 HN GLU 55 5.537 -6.318 -0.466
204 HA GLU 55 HA GLU 55 7.959 -5.194 0.490
205 HB2 GLU 55 HB2 GLU 55 7.875 -7.396 -0.567
206 HB3 GLU 55 HB1 GLU 55 7.380 -6.665 -2.086
207 HG2 GLU 55 HG2 GLU 55 9.521 -5.472 -2.192
208 HG3 GLU 55 HG1 GLU 55 10.015 -6.258 -0.694
209 H CYS 56 HN CYS 56 9.304 -3.652 -0.404
210 HA CYS 56 HA CYS 56 7.974 -1.565 -1.898
211 HB2 CYS 56 HB2 CYS 56 9.288 -0.744 -0.128
212 HB3 CYS 56 HB1 CYS 56 10.628 -1.817 -0.506
213 H LYS 57 HN LYS 57 7.811 -1.882 -4.020
214 HA LYS 57 HA LYS 57 9.840 -3.164 -5.593
215 HB2 LYS 57 HB2 LYS 57 7.272 -1.750 -6.237
216 HB3 LYS 57 HB1 LYS 57 8.402 -2.158 -7.515
217 HG2 LYS 57 HG2 LYS 57 6.717 -3.845 -7.396
218 HG3 LYS 57 HG1 LYS 57 8.241 -4.535 -6.845
219 HD2 LYS 57 HD2 LYS 57 6.626 -3.383 -4.699
220 HD3 LYS 57 HD1 LYS 57 5.838 -4.716 -5.540
221 HE2 LYS 57 HE2 LYS 57 8.644 -4.857 -4.458
222 HE3 LYS 57 HE1 LYS 57 7.226 -5.355 -3.543
223 HZ1 LYS 57 HZ1 LYS 57 8.076 -6.509 -6.146
224 HZ2 LYS 57 HZ2 LYS 57 6.740 -7.002 -5.234
225 HZ3 LYS 57 HZ3 LYS 57 8.309 -7.228 -4.629
226 H VAL 58 HN VAL 58 9.806 -0.195 -4.176
227 HA VAL 58 HA VAL 58 10.639 1.350 -6.485
228 HB VAL 58 HB VAL 58 10.334 2.152 -3.588
229 HG11 VAL 58 HG11 VAL 58 12.006 3.538 -4.722
230 HG12 VAL 58 HG12 VAL 58 10.541 4.454 -4.366
231 HG13 VAL 58 HG13 VAL 58 10.846 3.882 -6.006
232 HG21 VAL 58 HG21 VAL 58 8.223 1.602 -4.655
233 HG22 VAL 58 HG22 VAL 58 8.606 2.670 -6.003
234 HG23 VAL 58 HG23 VAL 58 8.342 3.342 -4.395
235 H CYS 59 HN CYS 59 12.071 0.674 -3.267
236 HA CYS 59 HA CYS 59 14.660 1.385 -4.471
237 HB2 CYS 59 HB2 CYS 59 13.978 2.851 -2.652
238 HB3 CYS 59 HB1 CYS 59 13.789 1.469 -1.580
239 H GLY 60 HN GLY 60 13.151 -0.952 -2.259
240 HA2 GLY 60 HA2 GLY 60 13.973 -3.295 -2.838
241 HA3 GLY 60 HA1 GLY 60 15.571 -2.616 -2.553
242 H ALA 61 HN ALA 61 12.440 -2.524 -0.880
243 HA ALA 61 HA ALA 61 13.580 -3.769 1.465
244 HB1 ALA 61 HB1 ALA 61 13.062 -1.916 2.974
245 HB2 ALA 61 HB2 ALA 61 12.546 -0.933 1.606
246 HB3 ALA 61 HB3 ALA 61 14.237 -1.411 1.758
247 H GLN 62 HN GLN 62 11.571 -3.213 3.282
248 HA GLN 62 HA GLN 62 9.154 -4.072 1.868
249 HB2 GLN 62 HB2 GLN 62 9.924 -5.393 3.858
250 HB3 GLN 62 HB1 GLN 62 9.613 -3.978 4.854
251 HG2 GLN 62 HG2 GLN 62 7.258 -4.034 4.201
252 HG3 GLN 62 HG1 GLN 62 7.570 -5.455 3.210
253 HE21 GLN 62 HE21 GLN 62 6.106 -6.687 4.351
254 HE22 GLN 62 HE22 GLN 62 6.409 -7.243 5.961
255 H ALA 63 HN ALA 63 7.174 -2.972 2.170
256 HA ALA 63 HA ALA 63 7.459 -0.230 3.189
257 HB1 ALA 63 HB1 ALA 63 5.882 -1.104 0.776
258 HB2 ALA 63 HB2 ALA 63 7.418 -0.243 0.742
259 HB3 ALA 63 HB3 ALA 63 5.986 0.539 1.408
260 H LEU 64 HN LEU 64 5.671 0.666 4.204
261 HA LEU 64 HA LEU 64 3.766 -1.336 5.174
262 HB2 LEU 64 HB2 LEU 64 4.468 1.393 6.260
263 HB3 LEU 64 HB1 LEU 64 3.311 0.289 6.980
264 HG LEU 64 HG LEU 64 6.275 -0.218 6.681
265 HD11 LEU 64 HD11 LEU 64 4.598 0.399 9.108
266 HD12 LEU 64 HD12 LEU 64 5.799 1.456 8.370
267 HD13 LEU 64 HD13 LEU 64 6.302 -0.054 9.127
268 HD21 LEU 64 HD21 LEU 64 4.106 -1.876 7.962
269 HD22 LEU 64 HD22 LEU 64 5.834 -2.196 8.084
270 HD23 LEU 64 HD23 LEU 64 5.028 -2.292 6.518
271 H LEU 65 HN LEU 65 1.617 -1.108 4.957
272 HA LEU 65 HA LEU 65 0.685 0.596 2.848
273 HB2 LEU 65 HB2 LEU 65 -0.083 -1.749 3.233
274 HB3 LEU 65 HB1 LEU 65 -0.848 -1.215 4.717
275 HG LEU 65 HG LEU 65 -2.363 -1.555 2.724
276 HD11 LEU 65 HD11 LEU 65 -3.692 0.481 3.169
277 HD12 LEU 65 HD12 LEU 65 -2.345 1.105 4.120
278 HD13 LEU 65 HD13 LEU 65 -3.175 -0.366 4.625
279 HD21 LEU 65 HD21 LEU 65 -1.100 1.021 1.824
280 HD22 LEU 65 HD22 LEU 65 -2.512 0.249 1.102
281 HD23 LEU 65 HD23 LEU 65 -0.938 -0.545 1.032
282 H VAL 66 HN VAL 66 -0.118 2.591 3.073
283 HA VAL 66 HA VAL 66 -0.545 3.536 5.811
284 HB VAL 66 HB VAL 66 -0.314 5.835 4.839
285 HG11 VAL 66 HG11 VAL 66 1.565 4.692 5.910
286 HG12 VAL 66 HG12 VAL 66 2.114 5.703 4.573
287 HG13 VAL 66 HG13 VAL 66 2.003 3.955 4.368
288 HG21 VAL 66 HG21 VAL 66 0.656 6.083 2.619
289 HG22 VAL 66 HG22 VAL 66 -0.921 5.300 2.522
290 HG23 VAL 66 HG23 VAL 66 0.550 4.343 2.363
291 H ASP 67 HN ASP 67 -2.546 3.450 6.452
292 HA ASP 67 HA ASP 67 -4.766 3.829 6.655
293 HB2 ASP 67 HB2 ASP 67 -4.303 5.728 4.355
294 HB3 ASP 67 HB1 ASP 67 -5.821 5.594 5.234
295 H GLY 68 HN GLY 68 -5.109 1.614 6.040
296 HA2 GLY 68 HA2 GLY 68 -6.724 1.466 3.588
297 HA3 GLY 68 HA1 GLY 68 -5.466 0.268 3.844
298 H ASP 69 HN ASP 69 -5.915 -1.495 5.000
299 HA ASP 69 HA ASP 69 -7.063 -3.053 6.183
300 HB2 ASP 69 HB2 ASP 69 -8.183 -0.576 7.485
301 HB3 ASP 69 HB1 ASP 69 -8.695 -2.190 7.963
302 H GLY 70 HN GLY 70 -8.091 -1.942 3.630
303 HA2 GLY 70 HA2 GLY 70 -10.095 -3.472 2.922
304 HA3 GLY 70 HA1 GLY 70 -10.974 -2.340 3.938
305 HA PRO 71 HA PRO 71 -11.211 0.478 0.544
306 HB2 PRO 71 HB2 PRO 71 -10.757 2.909 1.599
307 HB3 PRO 71 HB1 PRO 71 -12.202 1.973 1.997
308 HG2 PRO 71 HG2 PRO 71 -9.675 2.313 3.561
309 HG3 PRO 71 HG1 PRO 71 -11.354 2.332 4.131
310 HD2 PRO 71 HD2 PRO 71 -9.716 0.158 4.338
311 HD3 PRO 71 HD1 PRO 71 -11.478 0.044 4.204
312 H GLU 72 HN GLU 72 -10.030 1.450 -1.045
313 HA GLU 72 HA GLU 72 -7.143 1.208 -0.837
314 HB2 GLU 72 HB2 GLU 72 -8.919 1.941 -3.172
315 HB3 GLU 72 HB1 GLU 72 -7.180 1.735 -3.264
316 HG2 GLU 72 HG2 GLU 72 -7.454 -0.619 -2.625
317 HG3 GLU 72 HG1 GLU 72 -9.203 -0.384 -2.617
318 H GLU 73 HN GLU 73 -9.506 3.682 -1.785
319 HA GLU 73 HA GLU 73 -7.330 5.660 -1.684
320 HB2 GLU 73 HB2 GLU 73 -8.231 4.976 -3.943
321 HB3 GLU 73 HB1 GLU 73 -9.753 5.720 -3.487
322 HG2 GLU 73 HG2 GLU 73 -8.677 7.878 -3.311
323 HG3 GLU 73 HG1 GLU 73 -7.110 7.147 -3.662
324 H LYS 74 HN LYS 74 -9.538 4.762 0.254
325 HA LYS 74 HA LYS 74 -11.055 7.175 0.678
326 HB2 LYS 74 HB2 LYS 74 -11.966 5.001 1.352
327 HB3 LYS 74 HB1 LYS 74 -10.619 4.767 2.456
328 HG2 LYS 74 HG2 LYS 74 -11.372 6.788 3.699
329 HG3 LYS 74 HG1 LYS 74 -12.798 6.829 2.660
330 HD2 LYS 74 HD2 LYS 74 -13.448 4.619 3.429
331 HD3 LYS 74 HD1 LYS 74 -11.995 4.517 4.422
332 HE2 LYS 74 HE2 LYS 74 -12.766 6.466 5.710
333 HE3 LYS 74 HE1 LYS 74 -14.235 6.509 4.740
334 HZ1 LYS 74 HZ1 LYS 74 -14.590 5.384 6.847
335 HZ2 LYS 74 HZ2 LYS 74 -13.384 4.259 6.477
336 HZ3 LYS 74 HZ3 LYS 74 -14.799 4.311 5.556
337 H LYS 75 HN LYS 75 -8.304 5.557 2.163
338 HA LYS 75 HA LYS 75 -6.668 6.200 3.563
339 HB2 LYS 75 HB2 LYS 75 -6.186 7.764 1.712
340 HB3 LYS 75 HB1 LYS 75 -7.218 8.965 2.480
341 HG2 LYS 75 HG2 LYS 75 -5.752 9.108 4.366
342 HG3 LYS 75 HG1 LYS 75 -4.776 7.769 3.764
343 HD2 LYS 75 HD2 LYS 75 -4.179 9.121 1.799
344 HD3 LYS 75 HD1 LYS 75 -5.110 10.467 2.461
345 HE2 LYS 75 HE2 LYS 75 -2.692 10.664 2.910
346 HE3 LYS 75 HE1 LYS 75 -3.658 10.581 4.382
347 HZ1 LYS 75 HZ1 LYS 75 -3.048 8.300 4.679
348 HZ2 LYS 75 HZ2 LYS 75 -1.631 9.195 4.429
349 HZ3 LYS 75 HZ3 LYS 75 -2.264 8.258 3.177
Start of MODEL 7
1 H1 GLN 28 HT1 GLN 28 -9.186 6.003 -5.115
2 H2 GLN 28 HT2 GLN 28 -10.794 5.995 -5.652
3 H3 GLN 28 HT3 GLN 28 -9.537 5.725 -6.749
4 HA GLN 28 HA GLN 28 -10.263 3.944 -4.493
5 HB2 GLN 28 HB2 GLN 28 -11.875 4.026 -6.435
6 HB3 GLN 28 HB1 GLN 28 -10.566 3.474 -7.467
7 HG2 GLN 28 HG2 GLN 28 -10.398 1.418 -6.202
8 HG3 GLN 28 HG1 GLN 28 -11.650 1.976 -5.096
9 HE21 GLN 28 HE21 GLN 28 -11.806 2.577 -8.529
10 HE22 GLN 28 HE22 GLN 28 -13.115 1.493 -8.849
11 H ALA 29 HN ALA 29 -7.853 4.453 -4.114
12 HA ALA 29 HA ALA 29 -6.287 2.392 -5.475
13 HB1 ALA 29 HB1 ALA 29 -4.384 3.945 -5.707
14 HB2 ALA 29 HB2 ALA 29 -5.425 5.260 -5.157
15 HB3 ALA 29 HB3 ALA 29 -5.779 4.432 -6.672
16 H VAL 30 HN VAL 30 -4.397 1.722 -4.276
17 HA VAL 30 HA VAL 30 -4.599 2.298 -1.398
18 HB VAL 30 HB VAL 30 -3.370 0.286 -0.971
19 HG11 VAL 30 HG11 VAL 30 -5.432 -0.230 -3.104
20 HG12 VAL 30 HG12 VAL 30 -5.727 -0.056 -1.374
21 HG13 VAL 30 HG13 VAL 30 -4.805 -1.433 -1.977
22 HG21 VAL 30 HG21 VAL 30 -2.470 -1.141 -2.709
23 HG22 VAL 30 HG22 VAL 30 -1.761 0.471 -2.798
24 HG23 VAL 30 HG23 VAL 30 -3.013 -0.006 -3.945
25 H GLU 31 HN GLU 31 -2.566 2.598 -0.203
26 HA GLU 31 HA GLU 31 -0.432 3.737 -1.871
27 HB2 GLU 31 HB2 GLU 31 -1.672 4.985 0.581
28 HB3 GLU 31 HB1 GLU 31 -0.223 5.585 -0.215
29 HG2 GLU 31 HG2 GLU 31 -1.551 5.940 -2.268
30 HG3 GLU 31 HG1 GLU 31 -2.992 5.442 -1.383
31 H TYR 32 HN TYR 32 1.532 3.015 -1.351
32 HA TYR 32 HA TYR 32 1.941 1.922 1.360
33 HB2 TYR 32 HB2 TYR 32 3.091 0.997 -1.275
34 HB3 TYR 32 HB1 TYR 32 3.732 0.490 0.282
35 HD1 TYR 32 HD1 TYR 32 2.415 -0.984 1.747
36 HD2 TYR 32 HD2 TYR 32 1.022 0.129 -2.115
37 HE1 TYR 32 HE1 TYR 32 0.757 -2.798 1.830
38 HE2 TYR 32 HE2 TYR 32 -0.636 -1.683 -2.046
39 HH TYR 32 HH TYR 32 -1.046 -3.760 -0.947
40 H ALA 33 HN ALA 33 3.806 2.469 2.435
41 HA ALA 33 HA ALA 33 5.640 4.326 1.070
42 HB1 ALA 33 HB1 ALA 33 5.832 5.634 3.102
43 HB2 ALA 33 HB2 ALA 33 4.702 4.558 3.927
44 HB3 ALA 33 HB3 ALA 33 4.147 5.561 2.586
45 H CYS 34 HN CYS 34 7.727 3.772 1.200
46 HA CYS 34 HA CYS 34 8.382 1.368 2.704
47 HB2 CYS 34 HB2 CYS 34 10.426 1.340 1.375
48 HB3 CYS 34 HB1 CYS 34 9.023 1.537 0.328
49 H GLU 35 HN GLU 35 10.573 1.276 3.730
50 HA GLU 35 HA GLU 35 10.835 3.318 5.695
51 HB2 GLU 35 HB2 GLU 35 12.792 2.015 6.456
52 HB3 GLU 35 HB1 GLU 35 11.362 1.016 6.244
53 HG2 GLU 35 HG2 GLU 35 12.210 0.215 4.116
54 HG3 GLU 35 HG1 GLU 35 13.625 1.254 4.272
55 H LYS 36 HN LYS 36 11.819 3.190 2.531
56 HA LYS 36 HA LYS 36 14.304 4.632 2.847
57 HB2 LYS 36 HB2 LYS 36 12.680 3.893 0.423
58 HB3 LYS 36 HB1 LYS 36 14.201 4.759 0.343
59 HG2 LYS 36 HG2 LYS 36 13.833 2.006 1.489
60 HG3 LYS 36 HG1 LYS 36 14.461 2.378 -0.118
61 HD2 LYS 36 HD2 LYS 36 16.227 3.770 1.060
62 HD3 LYS 36 HD1 LYS 36 15.694 2.992 2.554
63 HE2 LYS 36 HE2 LYS 36 16.150 0.800 1.544
64 HE3 LYS 36 HE1 LYS 36 16.728 1.610 0.089
65 HZ1 LYS 36 HZ1 LYS 36 18.461 2.659 1.424
66 HZ2 LYS 36 HZ2 LYS 36 18.567 0.976 1.496
67 HZ3 LYS 36 HZ3 LYS 36 17.922 1.834 2.800
68 H GLY 37 HN GLY 37 11.008 5.329 2.784
69 HA2 GLY 37 HA2 GLY 37 10.178 7.469 3.355
70 HA3 GLY 37 HA1 GLY 37 11.620 8.189 2.658
71 H HIS 38 HN HIS 38 10.254 5.754 0.707
72 HA HIS 38 HA HIS 38 9.100 7.846 -1.005
73 HB2 HIS 38 HB2 HIS 38 10.992 6.345 -1.872
74 HB3 HIS 38 HB1 HIS 38 9.803 5.044 -1.880
75 HD2 HIS 38 HD2 HIS 38 7.954 5.098 -3.908
76 HE1 HIS 38 HE1 HIS 38 9.477 8.558 -5.797
77 HE2 HIS 38 HE2 HIS 38 8.004 6.518 -6.074
78 H ARG 39 HN ARG 39 7.050 7.610 -1.879
79 HA ARG 39 HA ARG 39 5.403 5.457 -0.716
80 HB2 ARG 39 HB2 ARG 39 4.506 8.256 -1.406
81 HB3 ARG 39 HB1 ARG 39 3.519 6.996 -0.689
82 HG2 ARG 39 HG2 ARG 39 4.817 7.053 1.333
83 HG3 ARG 39 HG1 ARG 39 5.942 8.209 0.619
84 HD2 ARG 39 HD2 ARG 39 4.162 9.856 0.446
85 HD3 ARG 39 HD1 ARG 39 3.006 8.698 1.099
86 HE ARG 39 HE ARG 39 4.656 8.749 3.109
87 HH11 ARG 39 HH11 ARG 39 3.655 11.463 1.136
88 HH12 ARG 39 HH12 ARG 39 3.877 12.628 2.402
89 HH21 ARG 39 HH21 ARG 39 4.927 10.271 4.780
90 HH22 ARG 39 HH22 ARG 39 4.612 11.950 4.473
91 H PHE 40 HN PHE 40 3.909 4.489 -2.072
92 HA PHE 40 HA PHE 40 3.736 5.347 -4.836
93 HB2 PHE 40 HB2 PHE 40 4.467 3.157 -5.733
94 HB3 PHE 40 HB1 PHE 40 5.764 4.031 -4.928
95 HD1 PHE 40 HD2 PHE 40 6.308 3.361 -2.519
96 HD2 PHE 40 HD1 PHE 40 3.970 0.964 -5.145
97 HE1 PHE 40 HE2 PHE 40 6.752 1.394 -1.112
98 HE2 PHE 40 HE1 PHE 40 4.405 -1.006 -3.739
99 HZ PHE 40 HZ PHE 40 5.859 -0.820 -1.777
100 H GLU 41 HN GLU 41 2.123 4.263 -6.049
101 HA GLU 41 HA GLU 41 0.076 3.001 -4.349
102 HB2 GLU 41 HB2 GLU 41 -0.296 4.528 -6.935
103 HB3 GLU 41 HB1 GLU 41 -1.576 3.892 -5.910
104 HG2 GLU 41 HG2 GLU 41 -0.959 5.416 -4.138
105 HG3 GLU 41 HG1 GLU 41 0.399 6.011 -5.092
106 H MET 42 HN MET 42 -0.941 1.145 -5.073
107 HA MET 42 HA MET 42 -0.021 -0.019 -7.599
108 HB2 MET 42 HB2 MET 42 0.091 -1.368 -4.893
109 HB3 MET 42 HB1 MET 42 0.194 -2.246 -6.414
110 HG2 MET 42 HG2 MET 42 2.169 -0.801 -6.992
111 HG3 MET 42 HG1 MET 42 2.122 -0.210 -5.332
112 HE1 MET 42 HE1 MET 42 2.343 -1.833 -3.215
113 HE2 MET 42 HE2 MET 42 2.741 -3.547 -3.330
114 HE3 MET 42 HE3 MET 42 1.164 -2.970 -3.865
115 HA PRO 43 HA PRO 43 -4.261 -0.918 -8.098
116 HB2 PRO 43 HB2 PRO 43 -4.207 -3.080 -9.739
117 HB3 PRO 43 HB1 PRO 43 -3.773 -1.454 -10.277
118 HG2 PRO 43 HG2 PRO 43 -1.994 -3.723 -9.478
119 HG3 PRO 43 HG1 PRO 43 -1.819 -2.584 -10.825
120 HD2 PRO 43 HD2 PRO 43 -0.445 -2.345 -8.491
121 HD3 PRO 43 HD1 PRO 43 -0.907 -0.952 -9.488
122 H PHE 44 HN PHE 44 -5.580 -1.694 -6.637
123 HA PHE 44 HA PHE 44 -5.538 -4.536 -5.968
124 HB2 PHE 44 HB2 PHE 44 -5.310 -2.272 -4.008
125 HB3 PHE 44 HB1 PHE 44 -6.151 -3.748 -3.544
126 HD1 PHE 44 HD2 PHE 44 -4.942 -5.851 -3.338
127 HD2 PHE 44 HD1 PHE 44 -2.927 -2.221 -4.258
128 HE1 PHE 44 HE2 PHE 44 -2.798 -6.896 -2.741
129 HE2 PHE 44 HE1 PHE 44 -0.780 -3.260 -3.665
130 HZ PHE 44 HZ PHE 44 -0.711 -5.600 -2.904
131 H SER 45 HN SER 45 -7.592 -4.808 -4.371
132 HA SER 45 HA SER 45 -9.822 -3.567 -5.814
133 HB2 SER 45 HB2 SER 45 -9.696 -6.062 -5.768
134 HB3 SER 45 HB1 SER 45 -9.836 -5.983 -4.013
135 HG SER 45 HG SER 45 -11.778 -5.886 -5.870
136 H VAL 46 HN VAL 46 -11.431 -2.527 -4.747
137 HA VAL 46 HA VAL 46 -10.846 -1.423 -2.171
138 HB VAL 46 HB VAL 46 -12.042 -0.307 -4.151
139 HG11 VAL 46 HG11 VAL 46 -14.382 -1.789 -2.972
140 HG12 VAL 46 HG12 VAL 46 -13.710 -1.986 -4.591
141 HG13 VAL 46 HG13 VAL 46 -14.494 -0.472 -4.140
142 HG21 VAL 46 HG21 VAL 46 -13.108 -0.065 -1.346
143 HG22 VAL 46 HG22 VAL 46 -13.459 1.079 -2.640
144 HG23 VAL 46 HG23 VAL 46 -11.800 0.862 -2.086
145 H GLU 47 HN GLU 47 -12.158 -4.262 -3.223
146 HA GLU 47 HA GLU 47 -13.785 -4.646 -0.804
147 HB2 GLU 47 HB2 GLU 47 -13.761 -6.218 -3.388
148 HB3 GLU 47 HB1 GLU 47 -14.807 -6.528 -2.009
149 HG2 GLU 47 HG2 GLU 47 -15.891 -4.387 -2.310
150 HG3 GLU 47 HG1 GLU 47 -14.803 -4.003 -3.643
151 H ALA 48 HN ALA 48 -10.814 -4.773 -1.110
152 HA ALA 48 HA ALA 48 -10.408 -7.605 -0.413
153 HB1 ALA 48 HB1 ALA 48 -8.107 -7.367 -1.292
154 HB2 ALA 48 HB2 ALA 48 -8.515 -5.743 -1.852
155 HB3 ALA 48 HB3 ALA 48 -9.340 -7.146 -2.530
156 H GLU 49 HN GLU 49 -9.132 -8.049 1.336
157 HA GLU 49 HA GLU 49 -8.749 -5.988 3.285
158 HB2 GLU 49 HB2 GLU 49 -9.263 -8.424 3.774
159 HB3 GLU 49 HB1 GLU 49 -7.611 -8.791 3.297
160 HG2 GLU 49 HG2 GLU 49 -7.714 -8.673 5.677
161 HG3 GLU 49 HG1 GLU 49 -6.809 -7.279 5.086
162 H ILE 50 HN ILE 50 -7.396 -4.517 2.197
163 HA ILE 50 HA ILE 50 -5.031 -5.140 0.851
164 HB ILE 50 HB ILE 50 -5.614 -2.569 2.339
165 HG12 ILE 50 HG12 ILE 50 -7.476 -3.056 0.877
166 HG13 ILE 50 HG11 ILE 50 -6.508 -1.780 0.148
167 HG21 ILE 50 HG21 ILE 50 -3.859 -3.089 -0.060
168 HG22 ILE 50 HG22 ILE 50 -3.287 -2.814 1.584
169 HG23 ILE 50 HG23 ILE 50 -4.130 -1.528 0.718
170 HD11 ILE 50 HD11 ILE 50 -7.219 -3.355 -1.530
171 HD12 ILE 50 HD12 ILE 50 -6.507 -4.688 -0.623
172 HD13 ILE 50 HD13 ILE 50 -5.469 -3.449 -1.327
173 HA PRO 51 HA PRO 51 -2.563 -6.661 4.249
174 HB2 PRO 51 HB2 PRO 51 -0.414 -6.063 2.272
175 HB3 PRO 51 HB1 PRO 51 -0.717 -7.543 3.192
176 HG2 PRO 51 HG2 PRO 51 -1.330 -7.418 0.615
177 HG3 PRO 51 HG1 PRO 51 -2.401 -8.244 1.758
178 HD2 PRO 51 HD2 PRO 51 -2.698 -5.561 0.480
179 HD3 PRO 51 HD1 PRO 51 -3.935 -6.777 0.858
180 HA PRO 52 HA PRO 52 -1.428 -2.730 6.045
181 HB2 PRO 52 HB2 PRO 52 0.008 -4.447 7.983
182 HB3 PRO 52 HB1 PRO 52 -1.241 -3.230 8.265
183 HG2 PRO 52 HG2 PRO 52 -1.784 -5.833 8.478
184 HG3 PRO 52 HG1 PRO 52 -2.966 -4.699 7.799
185 HD2 PRO 52 HD2 PRO 52 -1.168 -6.636 6.390
186 HD3 PRO 52 HD1 PRO 52 -2.858 -6.208 6.051
187 H GLU 53 HN GLU 53 0.702 -5.099 4.831
188 HA GLU 53 HA GLU 53 2.765 -3.129 4.431
189 HB2 GLU 53 HB2 GLU 53 4.518 -4.759 5.383
190 HB3 GLU 53 HB1 GLU 53 3.587 -3.791 6.517
191 HG2 GLU 53 HG2 GLU 53 2.076 -5.729 6.846
192 HG3 GLU 53 HG1 GLU 53 3.149 -6.684 5.826
193 H TRP 54 HN TRP 54 3.945 -3.523 2.632
194 HA TRP 54 HA TRP 54 3.676 -6.126 1.320
195 HB2 TRP 54 HB2 TRP 54 1.941 -4.464 0.469
196 HB3 TRP 54 HB1 TRP 54 3.288 -3.523 -0.161
197 HD1 TRP 54 HD1 TRP 54 4.627 -4.557 -2.267
198 HE1 TRP 54 HE1 TRP 54 3.924 -6.281 -4.043
199 HE3 TRP 54 HE3 TRP 54 0.571 -6.571 0.108
200 HZ2 TRP 54 HZ2 TRP 54 1.926 -8.227 -4.392
201 HZ3 TRP 54 HZ3 TRP 54 -0.682 -8.362 -1.024
202 HH2 TRP 54 HH2 TRP 54 -0.017 -9.170 -3.228
203 H GLU 55 HN GLU 55 5.368 -6.428 -0.368
204 HA GLU 55 HA GLU 55 7.884 -5.415 0.478
205 HB2 GLU 55 HB2 GLU 55 7.597 -7.635 -0.567
206 HB3 GLU 55 HB1 GLU 55 7.174 -6.857 -2.084
207 HG2 GLU 55 HG2 GLU 55 9.404 -5.837 -2.166
208 HG3 GLU 55 HG1 GLU 55 9.825 -6.669 -0.670
209 H CYS 56 HN CYS 56 9.220 -3.889 -0.424
210 HA CYS 56 HA CYS 56 7.893 -1.804 -1.924
211 HB2 CYS 56 HB2 CYS 56 9.220 -0.982 -0.159
212 HB3 CYS 56 HB1 CYS 56 10.563 -2.043 -0.556
213 H LYS 57 HN LYS 57 7.727 -2.089 -4.035
214 HA LYS 57 HA LYS 57 9.713 -3.400 -5.628
215 HB2 LYS 57 HB2 LYS 57 7.148 -1.975 -6.172
216 HB3 LYS 57 HB1 LYS 57 8.269 -2.218 -7.500
217 HG2 LYS 57 HG2 LYS 57 6.683 -3.979 -7.549
218 HG3 LYS 57 HG1 LYS 57 8.217 -4.656 -7.015
219 HD2 LYS 57 HD2 LYS 57 6.380 -3.737 -4.892
220 HD3 LYS 57 HD1 LYS 57 5.868 -5.153 -5.810
221 HE2 LYS 57 HE2 LYS 57 8.510 -4.840 -4.386
222 HE3 LYS 57 HE1 LYS 57 7.130 -5.762 -3.797
223 HZ1 LYS 57 HZ1 LYS 57 7.314 -7.165 -5.796
224 HZ2 LYS 57 HZ2 LYS 57 8.697 -7.236 -4.816
225 HZ3 LYS 57 HZ3 LYS 57 8.714 -6.324 -6.245
226 H VAL 58 HN VAL 58 9.522 -0.308 -4.307
227 HA VAL 58 HA VAL 58 10.459 1.158 -6.594
228 HB VAL 58 HB VAL 58 10.260 2.022 -3.708
229 HG11 VAL 58 HG11 VAL 58 11.846 3.391 -4.946
230 HG12 VAL 58 HG12 VAL 58 10.377 4.306 -4.606
231 HG13 VAL 58 HG13 VAL 58 10.653 3.649 -6.218
232 HG21 VAL 58 HG21 VAL 58 8.204 3.129 -4.376
233 HG22 VAL 58 HG22 VAL 58 8.102 1.396 -4.691
234 HG23 VAL 58 HG23 VAL 58 8.389 2.519 -6.021
235 H CYS 59 HN CYS 59 11.916 0.493 -3.383
236 HA CYS 59 HA CYS 59 14.493 1.167 -4.635
237 HB2 CYS 59 HB2 CYS 59 13.761 2.723 -2.882
238 HB3 CYS 59 HB1 CYS 59 13.688 1.396 -1.730
239 H GLY 60 HN GLY 60 12.998 -1.024 -2.261
240 HA2 GLY 60 HA2 GLY 60 13.718 -3.412 -2.829
241 HA3 GLY 60 HA1 GLY 60 15.342 -2.786 -2.586
242 H ALA 61 HN ALA 61 12.248 -2.592 -0.842
243 HA ALA 61 HA ALA 61 13.459 -3.783 1.509
244 HB1 ALA 61 HB1 ALA 61 12.930 -1.884 2.965
245 HB2 ALA 61 HB2 ALA 61 12.397 -0.955 1.564
246 HB3 ALA 61 HB3 ALA 61 14.089 -1.422 1.719
247 H GLN 62 HN GLN 62 11.505 -3.122 3.356
248 HA GLN 62 HA GLN 62 9.051 -4.130 2.121
249 HB2 GLN 62 HB2 GLN 62 9.879 -5.250 4.179
250 HB3 GLN 62 HB1 GLN 62 9.691 -3.735 5.052
251 HG2 GLN 62 HG2 GLN 62 7.287 -3.774 4.571
252 HG3 GLN 62 HG1 GLN 62 7.488 -5.318 3.748
253 HE21 GLN 62 HE21 GLN 62 6.166 -6.432 5.117
254 HE22 GLN 62 HE22 GLN 62 6.569 -6.763 6.766
255 H ALA 63 HN ALA 63 7.144 -2.977 2.152
256 HA ALA 63 HA ALA 63 7.378 -0.163 2.983
257 HB1 ALA 63 HB1 ALA 63 5.845 0.408 1.179
258 HB2 ALA 63 HB2 ALA 63 5.757 -1.288 0.705
259 HB3 ALA 63 HB3 ALA 63 7.277 -0.406 0.549
260 H LEU 64 HN LEU 64 5.766 0.709 4.171
261 HA LEU 64 HA LEU 64 3.823 -1.176 5.264
262 HB2 LEU 64 HB2 LEU 64 4.639 1.602 6.120
263 HB3 LEU 64 HB1 LEU 64 3.392 0.659 6.914
264 HG LEU 64 HG LEU 64 6.305 -0.112 6.711
265 HD11 LEU 64 HD11 LEU 64 6.378 0.342 9.098
266 HD12 LEU 64 HD12 LEU 64 4.693 0.861 9.064
267 HD13 LEU 64 HD13 LEU 64 5.920 1.789 8.201
268 HD21 LEU 64 HD21 LEU 64 4.920 -2.079 6.763
269 HD22 LEU 64 HD22 LEU 64 3.972 -1.426 8.097
270 HD23 LEU 64 HD23 LEU 64 5.661 -1.861 8.347
271 H LEU 65 HN LEU 65 1.726 -1.072 4.892
272 HA LEU 65 HA LEU 65 0.666 0.584 2.842
273 HB2 LEU 65 HB2 LEU 65 -0.119 -1.707 3.374
274 HB3 LEU 65 HB1 LEU 65 -0.717 -1.127 4.914
275 HG LEU 65 HG LEU 65 -2.437 -1.510 3.105
276 HD11 LEU 65 HD11 LEU 65 -2.840 -0.168 5.136
277 HD12 LEU 65 HD12 LEU 65 -3.775 0.365 3.742
278 HD13 LEU 65 HD13 LEU 65 -2.349 1.273 4.243
279 HD21 LEU 65 HD21 LEU 65 -1.185 -0.554 1.247
280 HD22 LEU 65 HD22 LEU 65 -1.268 1.036 2.006
281 HD23 LEU 65 HD23 LEU 65 -2.744 0.244 1.454
282 H VAL 66 HN VAL 66 0.072 2.644 3.036
283 HA VAL 66 HA VAL 66 -0.317 3.684 5.753
284 HB VAL 66 HB VAL 66 0.239 5.932 4.740
285 HG11 VAL 66 HG11 VAL 66 2.348 3.775 4.656
286 HG12 VAL 66 HG12 VAL 66 1.841 4.687 6.079
287 HG13 VAL 66 HG13 VAL 66 2.660 5.509 4.750
288 HG21 VAL 66 HG21 VAL 66 1.197 4.230 2.439
289 HG22 VAL 66 HG22 VAL 66 1.483 5.960 2.643
290 HG23 VAL 66 HG23 VAL 66 -0.157 5.360 2.390
291 H ASP 67 HN ASP 67 -2.260 4.160 6.322
292 HA ASP 67 HA ASP 67 -4.424 4.771 6.347
293 HB2 ASP 67 HB2 ASP 67 -3.379 6.570 4.179
294 HB3 ASP 67 HB1 ASP 67 -5.051 6.645 4.721
295 H GLY 68 HN GLY 68 -4.451 2.421 5.439
296 HA2 GLY 68 HA2 GLY 68 -6.581 2.496 3.428
297 HA3 GLY 68 HA1 GLY 68 -5.241 1.388 3.162
298 H ASP 69 HN ASP 69 -7.427 2.343 5.774
299 HA ASP 69 HA ASP 69 -7.348 -0.148 7.100
300 HB2 ASP 69 HB2 ASP 69 -7.982 1.854 8.292
301 HB3 ASP 69 HB1 ASP 69 -9.335 2.128 7.205
302 H GLY 70 HN GLY 70 -7.658 -1.679 5.480
303 HA2 GLY 70 HA2 GLY 70 -8.974 -3.314 4.536
304 HA3 GLY 70 HA1 GLY 70 -10.406 -2.423 5.033
305 HA PRO 71 HA PRO 71 -11.053 -1.679 0.680
306 HB2 PRO 71 HB2 PRO 71 -12.529 0.645 1.061
307 HB3 PRO 71 HB1 PRO 71 -13.185 -0.987 0.978
308 HG2 PRO 71 HG2 PRO 71 -12.559 0.684 3.365
309 HG3 PRO 71 HG1 PRO 71 -13.886 -0.464 3.111
310 HD2 PRO 71 HD2 PRO 71 -11.771 -1.094 4.623
311 HD3 PRO 71 HD1 PRO 71 -12.550 -2.303 3.580
312 H GLU 72 HN GLU 72 -9.915 -0.578 -0.799
313 HA GLU 72 HA GLU 72 -7.907 1.250 -0.008
314 HB2 GLU 72 HB2 GLU 72 -7.365 1.412 -2.350
315 HB3 GLU 72 HB1 GLU 72 -7.736 -0.262 -1.974
316 HG2 GLU 72 HG2 GLU 72 -10.008 0.092 -2.891
317 HG3 GLU 72 HG1 GLU 72 -9.517 1.710 -3.376
318 H GLU 73 HN GLU 73 -7.699 3.466 -0.540
319 HA GLU 73 HA GLU 73 -8.373 5.627 -0.753
320 HB2 GLU 73 HB2 GLU 73 -9.271 4.655 -2.932
321 HB3 GLU 73 HB1 GLU 73 -10.843 4.591 -2.141
322 HG2 GLU 73 HG2 GLU 73 -10.833 6.569 -3.394
323 HG3 GLU 73 HG1 GLU 73 -10.572 7.069 -1.723
324 H LYS 74 HN LYS 74 -9.506 3.653 1.358
325 HA LYS 74 HA LYS 74 -11.897 5.088 2.188
326 HB2 LYS 74 HB2 LYS 74 -11.919 2.667 2.406
327 HB3 LYS 74 HB1 LYS 74 -10.467 2.712 3.393
328 HG2 LYS 74 HG2 LYS 74 -12.412 2.346 4.775
329 HG3 LYS 74 HG1 LYS 74 -11.698 3.917 5.138
330 HD2 LYS 74 HD2 LYS 74 -14.104 4.123 5.058
331 HD3 LYS 74 HD1 LYS 74 -13.394 4.984 3.691
332 HE2 LYS 74 HE2 LYS 74 -13.898 3.076 2.238
333 HE3 LYS 74 HE1 LYS 74 -14.613 2.225 3.606
334 HZ1 LYS 74 HZ1 LYS 74 -15.577 4.796 2.474
335 HZ2 LYS 74 HZ2 LYS 74 -16.271 3.971 3.776
336 HZ3 LYS 74 HZ3 LYS 74 -16.295 3.281 2.234
337 H LYS 75 HN LYS 75 -8.765 4.224 3.627
338 HA LYS 75 HA LYS 75 -7.433 5.236 5.142
339 HB2 LYS 75 HB2 LYS 75 -7.508 7.147 3.624
340 HB3 LYS 75 HB1 LYS 75 -9.005 7.699 4.358
341 HG2 LYS 75 HG2 LYS 75 -7.901 8.260 6.382
342 HG3 LYS 75 HG1 LYS 75 -6.415 7.464 5.865
343 HD2 LYS 75 HD2 LYS 75 -6.185 9.098 4.047
344 HD3 LYS 75 HD1 LYS 75 -7.661 9.898 4.589
345 HE2 LYS 75 HE2 LYS 75 -5.172 9.565 6.258
346 HE3 LYS 75 HE1 LYS 75 -5.588 11.021 5.354
347 HZ1 LYS 75 HZ1 LYS 75 -6.213 11.171 7.692
348 HZ2 LYS 75 HZ2 LYS 75 -7.230 9.833 7.523
349 HZ3 LYS 75 HZ3 LYS 75 -7.568 11.263 6.685
Start of MODEL 8
1 H1 GLN 28 HT1 GLN 28 -9.604 5.603 -7.451
2 H2 GLN 28 HT2 GLN 28 -8.329 5.061 -8.418
3 H3 GLN 28 HT3 GLN 28 -8.004 5.770 -6.916
4 HA GLN 28 HA GLN 28 -9.080 3.950 -5.778
5 HB2 GLN 28 HB2 GLN 28 -9.401 2.806 -8.561
6 HB3 GLN 28 HB1 GLN 28 -9.738 1.948 -7.064
7 HG2 GLN 28 HG2 GLN 28 -11.465 3.635 -6.539
8 HG3 GLN 28 HG1 GLN 28 -11.169 4.376 -8.110
9 HE21 GLN 28 HE21 GLN 28 -13.232 3.995 -8.844
10 HE22 GLN 28 HE22 GLN 28 -13.803 2.416 -9.256
11 H ALA 29 HN ALA 29 -6.778 4.355 -5.293
12 HA ALA 29 HA ALA 29 -5.228 2.017 -6.113
13 HB1 ALA 29 HB1 ALA 29 -3.218 3.304 -6.455
14 HB2 ALA 29 HB2 ALA 29 -4.058 4.797 -6.039
15 HB3 ALA 29 HB3 ALA 29 -4.486 3.924 -7.511
16 H VAL 30 HN VAL 30 -4.047 1.119 -4.469
17 HA VAL 30 HA VAL 30 -4.368 2.279 -1.822
18 HB VAL 30 HB VAL 30 -3.427 0.248 -0.943
19 HG11 VAL 30 HG11 VAL 30 -4.942 -1.434 -1.826
20 HG12 VAL 30 HG12 VAL 30 -5.216 -0.453 -3.262
21 HG13 VAL 30 HG13 VAL 30 -5.758 0.123 -1.685
22 HG21 VAL 30 HG21 VAL 30 -2.511 -1.515 -2.341
23 HG22 VAL 30 HG22 VAL 30 -1.596 -0.018 -2.527
24 HG23 VAL 30 HG23 VAL 30 -2.743 -0.512 -3.774
25 H GLU 31 HN GLU 31 -2.553 2.844 -0.461
26 HA GLU 31 HA GLU 31 -0.175 3.540 -2.048
27 HB2 GLU 31 HB2 GLU 31 -1.603 5.485 -1.436
28 HB3 GLU 31 HB1 GLU 31 -1.316 5.107 0.258
29 HG2 GLU 31 HG2 GLU 31 1.031 5.546 0.016
30 HG3 GLU 31 HG1 GLU 31 0.854 5.751 -1.725
31 H TYR 32 HN TYR 32 1.710 2.902 -1.338
32 HA TYR 32 HA TYR 32 1.931 1.931 1.436
33 HB2 TYR 32 HB2 TYR 32 3.188 0.869 -1.092
34 HB3 TYR 32 HB1 TYR 32 3.797 0.459 0.506
35 HD1 TYR 32 HD2 TYR 32 0.996 0.071 -1.832
36 HD2 TYR 32 HD1 TYR 32 2.605 -1.076 1.932
37 HE1 TYR 32 HE2 TYR 32 -0.649 -1.747 -1.691
38 HE2 TYR 32 HE1 TYR 32 0.962 -2.896 2.088
39 HH TYR 32 HH TYR 32 -0.983 -3.840 -0.598
40 H ALA 33 HN ALA 33 3.681 2.578 2.612
41 HA ALA 33 HA ALA 33 5.605 4.342 1.255
42 HB1 ALA 33 HB1 ALA 33 5.614 5.834 3.138
43 HB2 ALA 33 HB2 ALA 33 4.487 4.800 4.014
44 HB3 ALA 33 HB3 ALA 33 3.959 5.648 2.560
45 H CYS 34 HN CYS 34 7.516 3.402 1.319
46 HA CYS 34 HA CYS 34 8.154 1.499 3.403
47 HB2 CYS 34 HB2 CYS 34 8.784 0.956 1.110
48 HB3 CYS 34 HB1 CYS 34 9.735 2.425 0.995
49 H GLU 35 HN GLU 35 10.315 1.622 4.428
50 HA GLU 35 HA GLU 35 10.492 3.996 5.965
51 HB2 GLU 35 HB2 GLU 35 12.454 2.876 6.988
52 HB3 GLU 35 HB1 GLU 35 11.033 1.843 6.919
53 HG2 GLU 35 HG2 GLU 35 11.978 0.824 4.842
54 HG3 GLU 35 HG1 GLU 35 13.453 1.742 5.139
55 H LYS 36 HN LYS 36 11.759 3.159 2.952
56 HA LYS 36 HA LYS 36 14.122 4.747 2.980
57 HB2 LYS 36 HB2 LYS 36 12.481 3.388 0.912
58 HB3 LYS 36 HB1 LYS 36 13.563 4.659 0.371
59 HG2 LYS 36 HG2 LYS 36 14.640 2.505 0.184
60 HG3 LYS 36 HG1 LYS 36 15.445 3.473 1.418
61 HD2 LYS 36 HD2 LYS 36 14.079 2.270 3.135
62 HD3 LYS 36 HD1 LYS 36 13.497 1.213 1.848
63 HE2 LYS 36 HE2 LYS 36 15.332 0.154 3.013
64 HE3 LYS 36 HE1 LYS 36 15.818 0.555 1.368
65 HZ1 LYS 36 HZ1 LYS 36 16.506 2.078 3.823
66 HZ2 LYS 36 HZ2 LYS 36 16.917 2.548 2.253
67 HZ3 LYS 36 HZ3 LYS 36 17.559 1.129 2.904
68 H GLY 37 HN GLY 37 10.912 5.586 3.147
69 HA2 GLY 37 HA2 GLY 37 10.089 7.760 3.349
70 HA3 GLY 37 HA1 GLY 37 11.570 8.366 2.621
71 H HIS 38 HN HIS 38 10.332 5.825 0.844
72 HA HIS 38 HA HIS 38 9.210 7.715 -1.099
73 HB2 HIS 38 HB2 HIS 38 10.551 5.034 -1.435
74 HB3 HIS 38 HB1 HIS 38 9.614 5.778 -2.730
75 HD2 HIS 38 HD2 HIS 38 13.096 5.865 -1.202
76 HE1 HIS 38 HE1 HIS 38 12.830 9.107 -3.906
77 HE2 HIS 38 HE2 HIS 38 14.404 7.580 -2.642
78 H ARG 39 HN ARG 39 7.149 7.614 -1.628
79 HA ARG 39 HA ARG 39 5.565 5.330 -0.673
80 HB2 ARG 39 HB2 ARG 39 4.680 8.115 -1.452
81 HB3 ARG 39 HB1 ARG 39 3.610 6.824 -0.929
82 HG2 ARG 39 HG2 ARG 39 4.915 6.772 1.222
83 HG3 ARG 39 HG1 ARG 39 5.695 8.259 0.683
84 HD2 ARG 39 HD2 ARG 39 3.579 9.393 0.585
85 HD3 ARG 39 HD1 ARG 39 2.716 7.898 0.938
86 HE ARG 39 HE ARG 39 4.627 8.886 2.914
87 HH11 ARG 39 HH11 ARG 39 1.288 8.389 1.937
88 HH12 ARG 39 HH12 ARG 39 0.664 8.656 3.540
89 HH21 ARG 39 HH21 ARG 39 3.802 9.214 5.006
90 HH22 ARG 39 HH22 ARG 39 2.093 9.112 5.285
91 H PHE 40 HN PHE 40 3.981 4.435 -2.081
92 HA PHE 40 HA PHE 40 3.940 5.252 -4.847
93 HB2 PHE 40 HB2 PHE 40 4.574 3.008 -5.705
94 HB3 PHE 40 HB1 PHE 40 5.900 3.847 -4.914
95 HD1 PHE 40 HD2 PHE 40 6.490 3.183 -2.546
96 HD2 PHE 40 HD1 PHE 40 3.905 0.879 -5.016
97 HE1 PHE 40 HE2 PHE 40 6.852 1.230 -1.097
98 HE2 PHE 40 HE1 PHE 40 4.255 -1.076 -3.570
99 HZ PHE 40 HZ PHE 40 5.787 -0.926 -1.652
100 H GLU 41 HN GLU 41 2.260 4.292 -6.040
101 HA GLU 41 HA GLU 41 0.176 3.120 -4.342
102 HB2 GLU 41 HB2 GLU 41 -1.372 3.864 -6.175
103 HB3 GLU 41 HB1 GLU 41 -0.565 5.167 -5.315
104 HG2 GLU 41 HG2 GLU 41 0.954 5.510 -7.109
105 HG3 GLU 41 HG1 GLU 41 0.390 4.060 -7.938
106 H MET 42 HN MET 42 -0.786 1.218 -4.874
107 HA MET 42 HA MET 42 0.115 -0.123 -7.326
108 HB2 MET 42 HB2 MET 42 0.083 -1.292 -4.537
109 HB3 MET 42 HB1 MET 42 0.185 -2.275 -5.995
110 HG2 MET 42 HG2 MET 42 2.238 -0.914 -6.595
111 HG3 MET 42 HG1 MET 42 2.180 -0.297 -4.947
112 HE1 MET 42 HE1 MET 42 2.281 -1.910 -2.790
113 HE2 MET 42 HE2 MET 42 2.520 -3.655 -2.900
114 HE3 MET 42 HE3 MET 42 1.020 -2.933 -3.478
115 HA PRO 43 HA PRO 43 -4.157 -1.044 -7.734
116 HB2 PRO 43 HB2 PRO 43 -4.087 -3.060 -9.505
117 HB3 PRO 43 HB1 PRO 43 -3.623 -1.415 -9.946
118 HG2 PRO 43 HG2 PRO 43 -1.894 -3.765 -9.301
119 HG3 PRO 43 HG1 PRO 43 -1.681 -2.526 -10.550
120 HD2 PRO 43 HD2 PRO 43 -0.377 -2.528 -8.122
121 HD3 PRO 43 HD1 PRO 43 -0.663 -1.080 -9.104
122 H PHE 44 HN PHE 44 -5.358 -1.921 -6.229
123 HA PHE 44 HA PHE 44 -5.199 -4.824 -5.799
124 HB2 PHE 44 HB2 PHE 44 -5.288 -2.643 -3.756
125 HB3 PHE 44 HB1 PHE 44 -6.193 -4.119 -3.427
126 HD1 PHE 44 HD1 PHE 44 -2.861 -2.665 -3.864
127 HD2 PHE 44 HD2 PHE 44 -5.074 -6.188 -2.976
128 HE1 PHE 44 HE1 PHE 44 -0.810 -3.741 -3.040
129 HE2 PHE 44 HE2 PHE 44 -3.025 -7.270 -2.151
130 HZ PHE 44 HZ PHE 44 -0.889 -6.046 -2.181
131 H SER 45 HN SER 45 -7.412 -5.367 -4.513
132 HA SER 45 HA SER 45 -9.540 -4.344 -6.195
133 HB2 SER 45 HB2 SER 45 -9.688 -6.292 -3.914
134 HB3 SER 45 HB1 SER 45 -10.897 -6.055 -5.171
135 HG SER 45 HG SER 45 -8.609 -6.564 -6.390
136 H VAL 46 HN VAL 46 -11.185 -3.043 -5.513
137 HA VAL 46 HA VAL 46 -10.512 -1.284 -3.372
138 HB VAL 46 HB VAL 46 -11.601 -0.738 -5.628
139 HG11 VAL 46 HG11 VAL 46 -14.082 -1.441 -4.079
140 HG12 VAL 46 HG12 VAL 46 -13.473 -2.261 -5.515
141 HG13 VAL 46 HG13 VAL 46 -14.044 -0.597 -5.626
142 HG21 VAL 46 HG21 VAL 46 -11.161 0.967 -3.999
143 HG22 VAL 46 HG22 VAL 46 -12.594 0.513 -3.073
144 HG23 VAL 46 HG23 VAL 46 -12.769 1.231 -4.675
145 H GLU 47 HN GLU 47 -12.184 -4.183 -3.425
146 HA GLU 47 HA GLU 47 -13.461 -3.502 -0.861
147 HB2 GLU 47 HB2 GLU 47 -14.441 -5.411 -2.984
148 HB3 GLU 47 HB1 GLU 47 -15.115 -5.320 -1.362
149 HG2 GLU 47 HG2 GLU 47 -15.715 -2.978 -1.756
150 HG3 GLU 47 HG1 GLU 47 -15.072 -3.099 -3.391
151 H ALA 48 HN ALA 48 -10.775 -4.645 -1.646
152 HA ALA 48 HA ALA 48 -10.939 -7.255 -0.304
153 HB1 ALA 48 HB1 ALA 48 -9.781 -7.371 -2.394
154 HB2 ALA 48 HB2 ALA 48 -8.588 -7.533 -1.108
155 HB3 ALA 48 HB3 ALA 48 -8.755 -6.001 -1.968
156 H GLU 49 HN GLU 49 -9.322 -7.750 1.326
157 HA GLU 49 HA GLU 49 -8.868 -5.584 3.160
158 HB2 GLU 49 HB2 GLU 49 -9.386 -7.930 3.874
159 HB3 GLU 49 HB1 GLU 49 -7.818 -8.421 3.253
160 HG2 GLU 49 HG2 GLU 49 -7.551 -8.180 5.570
161 HG3 GLU 49 HG1 GLU 49 -6.801 -6.758 4.848
162 H ILE 50 HN ILE 50 -7.314 -4.146 2.664
163 HA ILE 50 HA ILE 50 -5.110 -4.853 0.963
164 HB ILE 50 HB ILE 50 -5.455 -2.272 2.504
165 HG12 ILE 50 HG12 ILE 50 -7.470 -2.622 1.218
166 HG13 ILE 50 HG11 ILE 50 -6.492 -1.410 0.400
167 HG21 ILE 50 HG21 ILE 50 -3.229 -2.671 1.522
168 HG22 ILE 50 HG22 ILE 50 -4.060 -1.311 0.766
169 HG23 ILE 50 HG23 ILE 50 -3.979 -2.868 -0.063
170 HD11 ILE 50 HD11 ILE 50 -7.434 -2.895 -1.224
171 HD12 ILE 50 HD12 ILE 50 -6.805 -4.302 -0.368
172 HD13 ILE 50 HD13 ILE 50 -5.695 -3.175 -1.147
173 HA PRO 51 HA PRO 51 -2.634 -6.553 4.257
174 HB2 PRO 51 HB2 PRO 51 -0.483 -6.043 2.267
175 HB3 PRO 51 HB1 PRO 51 -0.881 -7.526 3.141
176 HG2 PRO 51 HG2 PRO 51 -1.503 -7.262 0.569
177 HG3 PRO 51 HG1 PRO 51 -2.607 -8.072 1.694
178 HD2 PRO 51 HD2 PRO 51 -2.766 -5.330 0.524
179 HD3 PRO 51 HD1 PRO 51 -4.065 -6.488 0.875
180 HA PRO 52 HA PRO 52 -1.276 -2.715 6.113
181 HB2 PRO 52 HB2 PRO 52 0.028 -4.558 8.030
182 HB3 PRO 52 HB1 PRO 52 -1.128 -3.256 8.327
183 HG2 PRO 52 HG2 PRO 52 -1.871 -5.808 8.498
184 HG3 PRO 52 HG1 PRO 52 -2.957 -4.583 7.815
185 HD2 PRO 52 HD2 PRO 52 -1.283 -6.629 6.410
186 HD3 PRO 52 HD1 PRO 52 -2.936 -6.082 6.056
187 H GLU 53 HN GLU 53 0.746 -5.237 4.975
188 HA GLU 53 HA GLU 53 2.924 -3.349 4.622
189 HB2 GLU 53 HB2 GLU 53 4.569 -5.148 5.379
190 HB3 GLU 53 HB1 GLU 53 3.681 -4.312 6.646
191 HG2 GLU 53 HG2 GLU 53 2.235 -6.156 6.970
192 HG3 GLU 53 HG1 GLU 53 2.828 -6.961 5.520
193 H TRP 54 HN TRP 54 4.092 -3.715 2.776
194 HA TRP 54 HA TRP 54 3.786 -6.238 1.381
195 HB2 TRP 54 HB2 TRP 54 1.920 -4.649 0.647
196 HB3 TRP 54 HB1 TRP 54 3.191 -3.682 -0.092
197 HD1 TRP 54 HD1 TRP 54 4.415 -4.713 -2.263
198 HE1 TRP 54 HE1 TRP 54 3.676 -6.525 -3.936
199 HE3 TRP 54 HE3 TRP 54 0.641 -6.837 0.453
200 HZ2 TRP 54 HZ2 TRP 54 1.747 -8.578 -4.082
201 HZ3 TRP 54 HZ3 TRP 54 -0.603 -8.719 -0.530
202 HH2 TRP 54 HH2 TRP 54 -0.059 -9.569 -2.750
203 H GLU 55 HN GLU 55 5.373 -6.420 -0.412
204 HA GLU 55 HA GLU 55 7.895 -5.346 0.271
205 HB2 GLU 55 HB2 GLU 55 7.602 -7.505 -0.876
206 HB3 GLU 55 HB1 GLU 55 7.006 -6.666 -2.300
207 HG2 GLU 55 HG2 GLU 55 9.170 -5.580 -2.578
208 HG3 GLU 55 HG1 GLU 55 9.770 -6.403 -1.138
209 H CYS 56 HN CYS 56 9.125 -3.743 -0.650
210 HA CYS 56 HA CYS 56 7.670 -1.618 -1.966
211 HB2 CYS 56 HB2 CYS 56 9.139 -0.913 -0.225
212 HB3 CYS 56 HB1 CYS 56 10.477 -1.847 -0.881
213 H LYS 57 HN LYS 57 7.404 -1.694 -4.072
214 HA LYS 57 HA LYS 57 9.211 -3.030 -5.849
215 HB2 LYS 57 HB2 LYS 57 6.697 -1.450 -6.157
216 HB3 LYS 57 HB1 LYS 57 7.713 -1.685 -7.567
217 HG2 LYS 57 HG2 LYS 57 5.990 -3.347 -7.543
218 HG3 LYS 57 HG1 LYS 57 7.541 -4.123 -7.250
219 HD2 LYS 57 HD2 LYS 57 5.957 -3.298 -4.883
220 HD3 LYS 57 HD1 LYS 57 5.368 -4.672 -5.816
221 HE2 LYS 57 HE2 LYS 57 8.137 -4.406 -4.644
222 HE3 LYS 57 HE1 LYS 57 6.823 -5.352 -3.952
223 HZ1 LYS 57 HZ1 LYS 57 8.307 -6.767 -5.187
224 HZ2 LYS 57 HZ2 LYS 57 8.125 -5.822 -6.581
225 HZ3 LYS 57 HZ3 LYS 57 6.809 -6.702 -5.982
226 H VAL 58 HN VAL 58 9.314 -0.028 -4.352
227 HA VAL 58 HA VAL 58 10.227 1.494 -6.628
228 HB VAL 58 HB VAL 58 10.018 2.219 -3.705
229 HG11 VAL 58 HG11 VAL 58 10.717 3.995 -6.042
230 HG12 VAL 58 HG12 VAL 58 11.823 3.496 -4.763
231 HG13 VAL 58 HG13 VAL 58 10.442 4.525 -4.385
232 HG21 VAL 58 HG21 VAL 58 7.886 1.902 -4.848
233 HG22 VAL 58 HG22 VAL 58 8.386 3.033 -6.105
234 HG23 VAL 58 HG23 VAL 58 8.148 3.600 -4.454
235 H CYS 59 HN CYS 59 11.751 0.623 -3.484
236 HA CYS 59 HA CYS 59 14.316 1.157 -4.825
237 HB2 CYS 59 HB2 CYS 59 13.747 2.749 -3.033
238 HB3 CYS 59 HB1 CYS 59 13.686 1.411 -1.900
239 H GLY 60 HN GLY 60 12.794 -0.922 -2.374
240 HA2 GLY 60 HA2 GLY 60 13.403 -3.355 -2.861
241 HA3 GLY 60 HA1 GLY 60 15.060 -2.782 -2.718
242 H ALA 61 HN ALA 61 11.999 -2.835 -0.937
243 HA ALA 61 HA ALA 61 13.256 -3.737 1.468
244 HB1 ALA 61 HB1 ALA 61 13.905 -1.369 1.534
245 HB2 ALA 61 HB2 ALA 61 12.776 -1.763 2.828
246 HB3 ALA 61 HB3 ALA 61 12.207 -0.901 1.397
247 H GLN 62 HN GLN 62 11.388 -3.138 3.326
248 HA GLN 62 HA GLN 62 8.914 -4.175 2.154
249 HB2 GLN 62 HB2 GLN 62 9.877 -5.407 4.078
250 HB3 GLN 62 HB1 GLN 62 9.688 -3.964 5.067
251 HG2 GLN 62 HG2 GLN 62 7.272 -4.048 4.731
252 HG3 GLN 62 HG1 GLN 62 7.460 -5.497 3.744
253 HE21 GLN 62 HE21 GLN 62 8.074 -7.428 4.737
254 HE22 GLN 62 HE22 GLN 62 7.896 -7.669 6.438
255 H ALA 63 HN ALA 63 7.374 -2.778 1.700
256 HA ALA 63 HA ALA 63 7.437 -0.135 2.925
257 HB1 ALA 63 HB1 ALA 63 5.683 -1.129 0.690
258 HB2 ALA 63 HB2 ALA 63 7.251 -0.357 0.465
259 HB3 ALA 63 HB3 ALA 63 5.923 0.544 1.193
260 H LEU 64 HN LEU 64 5.788 0.678 4.173
261 HA LEU 64 HA LEU 64 3.904 -1.328 5.159
262 HB2 LEU 64 HB2 LEU 64 4.718 1.346 6.290
263 HB3 LEU 64 HB1 LEU 64 3.536 0.276 7.018
264 HG LEU 64 HG LEU 64 6.466 -0.337 6.622
265 HD11 LEU 64 HD11 LEU 64 6.063 1.289 8.385
266 HD12 LEU 64 HD12 LEU 64 6.573 -0.258 9.059
267 HD13 LEU 64 HD13 LEU 64 4.875 0.215 9.120
268 HD21 LEU 64 HD21 LEU 64 4.267 -1.973 7.887
269 HD22 LEU 64 HD22 LEU 64 5.987 -2.356 7.953
270 HD23 LEU 64 HD23 LEU 64 5.144 -2.359 6.405
271 H LEU 65 HN LEU 65 1.772 -1.131 4.992
272 HA LEU 65 HA LEU 65 0.718 0.553 2.955
273 HB2 LEU 65 HB2 LEU 65 -0.055 -1.753 3.440
274 HB3 LEU 65 HB1 LEU 65 -0.669 -1.196 4.986
275 HG LEU 65 HG LEU 65 -2.350 -1.556 3.092
276 HD11 LEU 65 HD11 LEU 65 -2.932 -0.441 5.171
277 HD12 LEU 65 HD12 LEU 65 -3.731 0.324 3.799
278 HD13 LEU 65 HD13 LEU 65 -2.322 1.087 4.535
279 HD21 LEU 65 HD21 LEU 65 -2.680 0.321 1.579
280 HD22 LEU 65 HD22 LEU 65 -1.098 -0.423 1.338
281 HD23 LEU 65 HD23 LEU 65 -1.234 1.099 2.220
282 H VAL 66 HN VAL 66 0.064 2.595 3.164
283 HA VAL 66 HA VAL 66 -0.467 3.589 5.883
284 HB VAL 66 HB VAL 66 0.267 5.813 5.087
285 HG11 VAL 66 HG11 VAL 66 1.832 4.318 6.239
286 HG12 VAL 66 HG12 VAL 66 2.653 5.338 5.057
287 HG13 VAL 66 HG13 VAL 66 2.326 3.646 4.684
288 HG21 VAL 66 HG21 VAL 66 1.498 6.003 2.971
289 HG22 VAL 66 HG22 VAL 66 -0.188 5.559 2.708
290 HG23 VAL 66 HG23 VAL 66 1.075 4.335 2.583
291 H ASP 67 HN ASP 67 -2.259 4.724 6.285
292 HA ASP 67 HA ASP 67 -4.375 5.493 6.075
293 HB2 ASP 67 HB2 ASP 67 -3.004 6.687 3.691
294 HB3 ASP 67 HB1 ASP 67 -4.706 7.008 4.000
295 H GLY 68 HN GLY 68 -4.324 2.883 5.414
296 HA2 GLY 68 HA2 GLY 68 -6.538 2.820 3.498
297 HA3 GLY 68 HA1 GLY 68 -5.197 1.715 3.230
298 H ASP 69 HN ASP 69 -7.309 0.420 3.410
299 HA ASP 69 HA ASP 69 -7.098 -1.154 5.759
300 HB2 ASP 69 HB2 ASP 69 -8.515 0.635 6.706
301 HB3 ASP 69 HB1 ASP 69 -9.665 0.425 5.392
302 H GLY 70 HN GLY 70 -9.595 -0.232 3.418
303 HA2 GLY 70 HA2 GLY 70 -9.229 -2.810 2.108
304 HA3 GLY 70 HA1 GLY 70 -10.843 -2.387 2.666
305 HA PRO 71 HA PRO 71 -11.639 0.012 -0.992
306 HB2 PRO 71 HB2 PRO 71 -12.224 2.519 -0.024
307 HB3 PRO 71 HB1 PRO 71 -13.377 1.185 -0.107
308 HG2 PRO 71 HG2 PRO 71 -11.764 2.156 2.217
309 HG3 PRO 71 HG1 PRO 71 -13.447 1.599 2.174
310 HD2 PRO 71 HD2 PRO 71 -11.477 0.025 3.080
311 HD3 PRO 71 HD1 PRO 71 -12.834 -0.639 2.145
312 H GLU 72 HN GLU 72 -10.102 0.616 -2.349
313 HA GLU 72 HA GLU 72 -7.639 1.740 -1.585
314 HB2 GLU 72 HB2 GLU 72 -8.890 1.862 -4.331
315 HB3 GLU 72 HB1 GLU 72 -7.183 2.001 -3.938
316 HG2 GLU 72 HG2 GLU 72 -7.156 -0.324 -3.224
317 HG3 GLU 72 HG1 GLU 72 -8.870 -0.461 -3.607
318 H GLU 73 HN GLU 73 -7.037 3.797 -1.275
319 HA GLU 73 HA GLU 73 -6.861 6.050 -1.552
320 HB2 GLU 73 HB2 GLU 73 -7.266 5.298 -3.955
321 HB3 GLU 73 HB1 GLU 73 -8.927 5.807 -3.725
322 HG2 GLU 73 HG2 GLU 73 -8.140 8.086 -3.263
323 HG3 GLU 73 HG1 GLU 73 -6.484 7.553 -3.575
324 H LYS 74 HN LYS 74 -9.066 4.704 0.060
325 HA LYS 74 HA LYS 74 -11.301 6.434 0.098
326 HB2 LYS 74 HB2 LYS 74 -11.356 4.226 1.168
327 HB3 LYS 74 HB1 LYS 74 -10.146 4.750 2.334
328 HG2 LYS 74 HG2 LYS 74 -11.702 6.415 3.209
329 HG3 LYS 74 HG1 LYS 74 -12.914 5.902 2.037
330 HD2 LYS 74 HD2 LYS 74 -12.880 3.648 3.040
331 HD3 LYS 74 HD1 LYS 74 -11.731 4.224 4.248
332 HE2 LYS 74 HE2 LYS 74 -13.990 4.214 5.150
333 HE3 LYS 74 HE1 LYS 74 -13.378 5.863 5.024
334 HZ1 LYS 74 HZ1 LYS 74 -15.670 5.670 4.253
335 HZ2 LYS 74 HZ2 LYS 74 -15.195 4.556 3.074
336 HZ3 LYS 74 HZ3 LYS 74 -14.644 6.151 2.998
337 H LYS 75 HN LYS 75 -8.176 6.493 1.656
338 HA LYS 75 HA LYS 75 -8.834 9.080 2.881
339 HB2 LYS 75 HB2 LYS 75 -6.538 7.212 3.504
340 HB3 LYS 75 HB1 LYS 75 -6.922 8.695 4.363
341 HG2 LYS 75 HG2 LYS 75 -8.662 6.238 4.243
342 HG3 LYS 75 HG1 LYS 75 -7.622 6.699 5.590
343 HD2 LYS 75 HD2 LYS 75 -9.887 8.390 4.539
344 HD3 LYS 75 HD1 LYS 75 -10.026 7.281 5.901
345 HE2 LYS 75 HE2 LYS 75 -8.265 8.538 7.076
346 HE3 LYS 75 HE1 LYS 75 -8.185 9.663 5.721
347 HZ1 LYS 75 HZ1 LYS 75 -9.550 10.493 7.557
348 HZ2 LYS 75 HZ2 LYS 75 -10.600 9.177 7.381
349 HZ3 LYS 75 HZ3 LYS 75 -10.452 10.315 6.136
Start of MODEL 9
1 H1 GLN 28 HT1 GLN 28 -8.304 5.290 -7.912
2 H2 GLN 28 HT2 GLN 28 -7.936 5.855 -6.359
3 H3 GLN 28 HT3 GLN 28 -9.544 5.805 -6.884
4 HA GLN 28 HA GLN 28 -9.055 4.003 -5.356
5 HB2 GLN 28 HB2 GLN 28 -9.852 2.142 -6.831
6 HB3 GLN 28 HB1 GLN 28 -10.808 3.610 -6.938
7 HG2 GLN 28 HG2 GLN 28 -9.686 4.192 -9.029
8 HG3 GLN 28 HG1 GLN 28 -8.723 2.721 -8.919
9 HE21 GLN 28 HE21 GLN 28 -12.100 2.913 -8.018
10 HE22 GLN 28 HE22 GLN 28 -12.695 1.925 -9.304
11 H ALA 29 HN ALA 29 -6.702 4.346 -4.993
12 HA ALA 29 HA ALA 29 -5.267 1.997 -5.973
13 HB1 ALA 29 HB1 ALA 29 -4.593 3.898 -7.390
14 HB2 ALA 29 HB2 ALA 29 -3.260 3.254 -6.434
15 HB3 ALA 29 HB3 ALA 29 -4.052 4.753 -5.948
16 H VAL 30 HN VAL 30 -4.148 0.990 -4.387
17 HA VAL 30 HA VAL 30 -4.179 2.128 -1.732
18 HB VAL 30 HB VAL 30 -3.237 0.059 -0.958
19 HG11 VAL 30 HG11 VAL 30 -5.267 -0.451 -3.124
20 HG12 VAL 30 HG12 VAL 30 -5.598 -0.030 -1.444
21 HG13 VAL 30 HG13 VAL 30 -4.856 -1.579 -1.835
22 HG21 VAL 30 HG21 VAL 30 -1.556 -0.224 -2.730
23 HG22 VAL 30 HG22 VAL 30 -2.833 -0.723 -3.840
24 HG23 VAL 30 HG23 VAL 30 -2.465 -1.702 -2.418
25 H GLU 31 HN GLU 31 -2.412 2.871 -0.584
26 HA GLU 31 HA GLU 31 0.015 3.284 -2.192
27 HB2 GLU 31 HB2 GLU 31 -1.247 5.081 -0.128
28 HB3 GLU 31 HB1 GLU 31 0.323 5.376 -0.867
29 HG2 GLU 31 HG2 GLU 31 -0.771 5.465 -3.078
30 HG3 GLU 31 HG1 GLU 31 -2.331 5.266 -2.285
31 H TYR 32 HN TYR 32 1.871 2.586 -1.415
32 HA TYR 32 HA TYR 32 2.009 1.829 1.433
33 HB2 TYR 32 HB2 TYR 32 3.384 0.596 -0.963
34 HB3 TYR 32 HB1 TYR 32 3.794 0.209 0.703
35 HD1 TYR 32 HD2 TYR 32 1.235 -0.095 -1.911
36 HD2 TYR 32 HD1 TYR 32 2.376 -1.225 2.027
37 HE1 TYR 32 HE2 TYR 32 -0.519 -1.816 -1.902
38 HE2 TYR 32 HE1 TYR 32 0.622 -2.950 2.051
39 HH TYR 32 HH TYR 32 -1.094 -3.846 -0.810
40 H ALA 33 HN ALA 33 3.778 2.491 2.606
41 HA ALA 33 HA ALA 33 5.664 4.266 1.198
42 HB1 ALA 33 HB1 ALA 33 5.845 5.570 3.246
43 HB2 ALA 33 HB2 ALA 33 4.679 4.506 4.035
44 HB3 ALA 33 HB3 ALA 33 4.179 5.509 2.672
45 H CYS 34 HN CYS 34 7.719 3.620 1.220
46 HA CYS 34 HA CYS 34 8.429 1.274 2.758
47 HB2 CYS 34 HB2 CYS 34 10.481 1.297 1.455
48 HB3 CYS 34 HB1 CYS 34 9.099 1.526 0.389
49 H GLU 35 HN GLU 35 10.650 1.228 3.776
50 HA GLU 35 HA GLU 35 10.857 3.259 5.772
51 HB2 GLU 35 HB2 GLU 35 12.874 1.981 6.487
52 HB3 GLU 35 HB1 GLU 35 11.425 0.992 6.349
53 HG2 GLU 35 HG2 GLU 35 12.177 0.138 4.212
54 HG3 GLU 35 HG1 GLU 35 13.599 1.180 4.276
55 H LYS 36 HN LYS 36 11.834 3.157 2.608
56 HA LYS 36 HA LYS 36 14.278 4.676 2.936
57 HB2 LYS 36 HB2 LYS 36 12.730 3.863 0.486
58 HB3 LYS 36 HB1 LYS 36 14.233 4.765 0.439
59 HG2 LYS 36 HG2 LYS 36 13.898 2.005 1.576
60 HG3 LYS 36 HG1 LYS 36 14.571 2.395 -0.008
61 HD2 LYS 36 HD2 LYS 36 16.209 3.891 1.331
62 HD3 LYS 36 HD1 LYS 36 15.709 2.907 2.709
63 HE2 LYS 36 HE2 LYS 36 16.351 0.888 1.484
64 HE3 LYS 36 HE1 LYS 36 16.870 1.889 0.130
65 HZ1 LYS 36 HZ1 LYS 36 18.757 1.269 1.467
66 HZ2 LYS 36 HZ2 LYS 36 18.038 1.894 2.861
67 HZ3 LYS 36 HZ3 LYS 36 18.500 2.935 1.610
68 H GLY 37 HN GLY 37 10.960 5.249 2.815
69 HA2 GLY 37 HA2 GLY 37 10.007 7.343 3.311
70 HA3 GLY 37 HA1 GLY 37 11.468 8.124 2.723
71 H HIS 38 HN HIS 38 10.156 5.644 0.743
72 HA HIS 38 HA HIS 38 9.029 7.697 -1.043
73 HB2 HIS 38 HB2 HIS 38 10.302 5.032 -1.700
74 HB3 HIS 38 HB1 HIS 38 9.464 6.032 -2.879
75 HD2 HIS 38 HD2 HIS 38 12.779 5.991 -0.823
76 HE1 HIS 38 HE1 HIS 38 13.078 8.914 -3.866
77 HE2 HIS 38 HE2 HIS 38 14.271 7.793 -1.938
78 H ARG 39 HN ARG 39 6.932 7.549 -1.571
79 HA ARG 39 HA ARG 39 5.475 5.153 -0.681
80 HB2 ARG 39 HB2 ARG 39 4.321 7.848 -1.399
81 HB3 ARG 39 HB1 ARG 39 3.483 6.507 -0.636
82 HG2 ARG 39 HG2 ARG 39 5.061 6.738 1.293
83 HG3 ARG 39 HG1 ARG 39 5.650 8.221 0.545
84 HD2 ARG 39 HD2 ARG 39 3.375 9.147 0.627
85 HD3 ARG 39 HD1 ARG 39 2.815 7.669 1.410
86 HE ARG 39 HE ARG 39 4.990 9.048 2.735
87 HH11 ARG 39 HH11 ARG 39 1.527 8.564 2.531
88 HH12 ARG 39 HH12 ARG 39 1.226 9.146 4.136
89 HH21 ARG 39 HH21 ARG 39 4.599 9.828 4.833
90 HH22 ARG 39 HH22 ARG 39 2.978 9.881 5.446
91 H PHE 40 HN PHE 40 4.074 4.097 -2.092
92 HA PHE 40 HA PHE 40 3.983 5.013 -4.862
93 HB2 PHE 40 HB2 PHE 40 4.566 2.734 -5.697
94 HB3 PHE 40 HB1 PHE 40 5.901 3.559 -4.903
95 HD1 PHE 40 HD2 PHE 40 6.568 2.868 -2.605
96 HD2 PHE 40 HD1 PHE 40 3.738 0.671 -4.905
97 HE1 PHE 40 HE2 PHE 40 6.873 0.928 -1.122
98 HE2 PHE 40 HE1 PHE 40 4.036 -1.269 -3.422
99 HZ PHE 40 HZ PHE 40 5.672 -1.177 -1.591
100 H GLU 41 HN GLU 41 2.319 4.073 -6.113
101 HA GLU 41 HA GLU 41 0.122 3.024 -4.470
102 HB2 GLU 41 HB2 GLU 41 -1.380 3.936 -6.155
103 HB3 GLU 41 HB1 GLU 41 -0.288 5.189 -5.585
104 HG2 GLU 41 HG2 GLU 41 1.124 4.747 -7.603
105 HG3 GLU 41 HG1 GLU 41 -0.159 3.694 -8.190
106 H MET 42 HN MET 42 -1.008 1.209 -5.108
107 HA MET 42 HA MET 42 -0.163 -0.148 -7.562
108 HB2 MET 42 HB2 MET 42 -0.191 -1.416 -4.813
109 HB3 MET 42 HB1 MET 42 -0.099 -2.331 -6.316
110 HG2 MET 42 HG2 MET 42 1.986 -0.986 -6.839
111 HG3 MET 42 HG1 MET 42 1.931 -0.444 -5.163
112 HE1 MET 42 HE1 MET 42 2.119 -3.963 -3.323
113 HE2 MET 42 HE2 MET 42 0.655 -3.177 -3.913
114 HE3 MET 42 HE3 MET 42 1.894 -2.229 -3.093
115 HA PRO 43 HA PRO 43 -4.515 -0.861 -7.861
116 HB2 PRO 43 HB2 PRO 43 -4.071 -3.165 -9.570
117 HB3 PRO 43 HB1 PRO 43 -4.663 -1.561 -10.004
118 HG2 PRO 43 HG2 PRO 43 -2.227 -2.513 -10.766
119 HG3 PRO 43 HG1 PRO 43 -2.575 -0.791 -10.535
120 HD2 PRO 43 HD2 PRO 43 -1.181 -2.707 -8.711
121 HD3 PRO 43 HD1 PRO 43 -0.800 -1.012 -9.075
122 H PHE 44 HN PHE 44 -5.684 -1.710 -6.315
123 HA PHE 44 HA PHE 44 -5.661 -4.616 -5.933
124 HB2 PHE 44 HB2 PHE 44 -5.244 -2.525 -3.858
125 HB3 PHE 44 HB1 PHE 44 -6.319 -3.853 -3.436
126 HD1 PHE 44 HD2 PHE 44 -5.433 -6.199 -3.502
127 HD2 PHE 44 HD1 PHE 44 -2.920 -2.794 -3.909
128 HE1 PHE 44 HE2 PHE 44 -3.475 -7.585 -2.966
129 HE2 PHE 44 HE1 PHE 44 -0.956 -4.176 -3.379
130 HZ PHE 44 HZ PHE 44 -1.270 -6.604 -2.849
131 H SER 45 HN SER 45 -7.757 -5.012 -4.367
132 HA SER 45 HA SER 45 -9.968 -3.713 -5.764
133 HB2 SER 45 HB2 SER 45 -10.491 -5.634 -3.595
134 HB3 SER 45 HB1 SER 45 -11.217 -5.534 -5.200
135 HG SER 45 HG SER 45 -9.012 -6.284 -5.922
136 H VAL 46 HN VAL 46 -11.534 -2.506 -4.685
137 HA VAL 46 HA VAL 46 -10.670 -1.277 -2.221
138 HB VAL 46 HB VAL 46 -12.686 0.098 -2.438
139 HG11 VAL 46 HG11 VAL 46 -10.661 0.853 -3.499
140 HG12 VAL 46 HG12 VAL 46 -12.046 1.269 -4.507
141 HG13 VAL 46 HG13 VAL 46 -11.026 -0.103 -4.934
142 HG21 VAL 46 HG21 VAL 46 -14.160 -1.550 -3.475
143 HG22 VAL 46 HG22 VAL 46 -13.200 -1.471 -4.952
144 HG23 VAL 46 HG23 VAL 46 -14.104 -0.057 -4.412
145 H GLU 47 HN GLU 47 -12.382 -4.011 -3.027
146 HA GLU 47 HA GLU 47 -13.727 -4.054 -0.409
147 HB2 GLU 47 HB2 GLU 47 -14.299 -5.731 -2.857
148 HB3 GLU 47 HB1 GLU 47 -15.155 -5.832 -1.325
149 HG2 GLU 47 HG2 GLU 47 -15.877 -3.485 -1.629
150 HG3 GLU 47 HG1 GLU 47 -15.111 -3.495 -3.218
151 H ALA 48 HN ALA 48 -10.887 -4.647 -1.246
152 HA ALA 48 HA ALA 48 -10.734 -7.439 -0.333
153 HB1 ALA 48 HB1 ALA 48 -8.703 -5.778 -1.826
154 HB2 ALA 48 HB2 ALA 48 -9.664 -7.106 -2.479
155 HB3 ALA 48 HB3 ALA 48 -8.439 -7.425 -1.252
156 H GLU 49 HN GLU 49 -9.243 -7.959 1.330
157 HA GLU 49 HA GLU 49 -8.852 -5.898 3.282
158 HB2 GLU 49 HB2 GLU 49 -7.683 -8.688 3.229
159 HB3 GLU 49 HB1 GLU 49 -7.782 -7.626 4.626
160 HG2 GLU 49 HG2 GLU 49 -10.082 -8.887 3.157
161 HG3 GLU 49 HG1 GLU 49 -9.483 -9.318 4.756
162 H ILE 50 HN ILE 50 -7.551 -4.355 2.289
163 HA ILE 50 HA ILE 50 -5.234 -4.850 0.818
164 HB ILE 50 HB ILE 50 -5.785 -2.368 2.468
165 HG12 ILE 50 HG12 ILE 50 -7.702 -2.767 1.076
166 HG13 ILE 50 HG11 ILE 50 -6.751 -1.492 0.321
167 HG21 ILE 50 HG21 ILE 50 -4.378 -1.230 0.845
168 HG22 ILE 50 HG22 ILE 50 -4.129 -2.742 -0.030
169 HG23 ILE 50 HG23 ILE 50 -3.487 -2.553 1.602
170 HD11 ILE 50 HD11 ILE 50 -6.899 -4.380 -0.504
171 HD12 ILE 50 HD12 ILE 50 -5.788 -3.202 -1.200
172 HD13 ILE 50 HD13 ILE 50 -7.529 -2.979 -1.373
173 HA PRO 51 HA PRO 51 -2.649 -6.623 3.977
174 HB2 PRO 51 HB2 PRO 51 -0.556 -5.843 2.008
175 HB3 PRO 51 HB1 PRO 51 -0.836 -7.400 2.795
176 HG2 PRO 51 HG2 PRO 51 -1.522 -7.029 0.255
177 HG3 PRO 51 HG1 PRO 51 -2.553 -7.974 1.344
178 HD2 PRO 51 HD2 PRO 51 -2.911 -5.192 0.327
179 HD3 PRO 51 HD1 PRO 51 -4.126 -6.446 0.650
180 HA PRO 52 HA PRO 52 -1.444 -2.915 6.156
181 HB2 PRO 52 HB2 PRO 52 0.077 -4.841 7.814
182 HB3 PRO 52 HB1 PRO 52 -1.151 -3.666 8.295
183 HG2 PRO 52 HG2 PRO 52 -1.717 -6.263 8.233
184 HG3 PRO 52 HG1 PRO 52 -2.907 -5.061 7.698
185 HD2 PRO 52 HD2 PRO 52 -1.123 -6.822 6.057
186 HD3 PRO 52 HD1 PRO 52 -2.832 -6.403 5.812
187 H GLU 53 HN GLU 53 0.802 -5.287 4.946
188 HA GLU 53 HA GLU 53 2.713 -3.145 4.492
189 HB2 GLU 53 HB2 GLU 53 4.612 -4.473 5.286
190 HB3 GLU 53 HB1 GLU 53 3.482 -4.142 6.586
191 HG2 GLU 53 HG2 GLU 53 3.524 -6.736 5.067
192 HG3 GLU 53 HG1 GLU 53 4.466 -6.453 6.527
193 H TRP 54 HN TRP 54 4.173 -3.569 2.779
194 HA TRP 54 HA TRP 54 3.845 -6.032 1.294
195 HB2 TRP 54 HB2 TRP 54 2.073 -4.350 0.506
196 HB3 TRP 54 HB1 TRP 54 3.417 -3.426 -0.154
197 HD1 TRP 54 HD1 TRP 54 4.654 -4.418 -2.312
198 HE1 TRP 54 HE1 TRP 54 3.966 -6.219 -4.017
199 HE3 TRP 54 HE3 TRP 54 0.806 -6.564 0.280
200 HZ2 TRP 54 HZ2 TRP 54 2.041 -8.265 -4.238
201 HZ3 TRP 54 HZ3 TRP 54 -0.408 -8.437 -0.752
202 HH2 TRP 54 HH2 TRP 54 0.198 -9.270 -2.965
203 H GLU 55 HN GLU 55 5.514 -6.228 -0.410
204 HA GLU 55 HA GLU 55 8.019 -5.179 0.396
205 HB2 GLU 55 HB2 GLU 55 7.817 -7.344 -0.732
206 HB3 GLU 55 HB1 GLU 55 7.231 -6.547 -2.184
207 HG2 GLU 55 HG2 GLU 55 9.382 -5.398 -2.415
208 HG3 GLU 55 HG1 GLU 55 9.967 -6.222 -0.970
209 H CYS 56 HN CYS 56 9.312 -3.632 -0.515
210 HA CYS 56 HA CYS 56 7.953 -1.463 -1.832
211 HB2 CYS 56 HB2 CYS 56 9.469 -0.809 -0.132
212 HB3 CYS 56 HB1 CYS 56 10.739 -1.854 -0.754
213 H LYS 57 HN LYS 57 7.602 -1.636 -3.928
214 HA LYS 57 HA LYS 57 9.361 -2.997 -5.732
215 HB2 LYS 57 HB2 LYS 57 6.826 -1.451 -5.984
216 HB3 LYS 57 HB1 LYS 57 7.807 -1.659 -7.422
217 HG2 LYS 57 HG2 LYS 57 6.115 -3.351 -7.371
218 HG3 LYS 57 HG1 LYS 57 7.683 -4.107 -7.114
219 HD2 LYS 57 HD2 LYS 57 6.125 -3.306 -4.718
220 HD3 LYS 57 HD1 LYS 57 5.556 -4.698 -5.638
221 HE2 LYS 57 HE2 LYS 57 8.340 -4.361 -4.522
222 HE3 LYS 57 HE1 LYS 57 7.061 -5.328 -3.793
223 HZ1 LYS 57 HZ1 LYS 57 7.025 -6.691 -5.812
224 HZ2 LYS 57 HZ2 LYS 57 8.537 -6.726 -5.049
225 HZ3 LYS 57 HZ3 LYS 57 8.312 -5.792 -6.447
226 H VAL 58 HN VAL 58 9.566 -0.012 -4.263
227 HA VAL 58 HA VAL 58 10.390 1.481 -6.608
228 HB VAL 58 HB VAL 58 10.257 2.320 -3.709
229 HG11 VAL 58 HG11 VAL 58 10.438 4.614 -4.582
230 HG12 VAL 58 HG12 VAL 58 10.719 3.961 -6.196
231 HG13 VAL 58 HG13 VAL 58 11.883 3.658 -4.907
232 HG21 VAL 58 HG21 VAL 58 8.068 1.814 -4.633
233 HG22 VAL 58 HG22 VAL 58 8.395 2.854 -6.019
234 HG23 VAL 58 HG23 VAL 58 8.253 3.553 -4.407
235 H CYS 59 HN CYS 59 11.909 0.754 -3.436
236 HA CYS 59 HA CYS 59 14.486 1.298 -4.760
237 HB2 CYS 59 HB2 CYS 59 13.855 2.906 -2.993
238 HB3 CYS 59 HB1 CYS 59 13.771 1.587 -1.833
239 H GLY 60 HN GLY 60 12.962 -0.753 -2.267
240 HA2 GLY 60 HA2 GLY 60 13.553 -3.194 -2.745
241 HA3 GLY 60 HA1 GLY 60 15.213 -2.630 -2.619
242 H ALA 61 HN ALA 61 12.185 -2.917 -0.831
243 HA ALA 61 HA ALA 61 13.437 -3.852 1.526
244 HB1 ALA 61 HB1 ALA 61 14.135 -1.505 1.741
245 HB2 ALA 61 HB2 ALA 61 12.991 -1.951 3.007
246 HB3 ALA 61 HB3 ALA 61 12.451 -0.995 1.628
247 H GLN 62 HN GLN 62 11.563 -3.258 3.428
248 HA GLN 62 HA GLN 62 9.059 -4.153 2.206
249 HB2 GLN 62 HB2 GLN 62 9.960 -5.419 4.168
250 HB3 GLN 62 HB1 GLN 62 9.759 -3.970 5.144
251 HG2 GLN 62 HG2 GLN 62 7.371 -4.025 4.815
252 HG3 GLN 62 HG1 GLN 62 7.523 -5.395 3.718
253 HE21 GLN 62 HE21 GLN 62 6.226 -6.721 4.941
254 HE22 GLN 62 HE22 GLN 62 6.716 -7.361 6.473
255 H ALA 63 HN ALA 63 7.199 -2.965 2.339
256 HA ALA 63 HA ALA 63 7.506 -0.220 3.358
257 HB1 ALA 63 HB1 ALA 63 6.027 0.515 1.561
258 HB2 ALA 63 HB2 ALA 63 5.905 -1.144 0.974
259 HB3 ALA 63 HB3 ALA 63 7.451 -0.297 0.909
260 H LEU 64 HN LEU 64 5.723 0.726 4.347
261 HA LEU 64 HA LEU 64 3.787 -1.218 5.373
262 HB2 LEU 64 HB2 LEU 64 4.510 1.541 6.365
263 HB3 LEU 64 HB1 LEU 64 3.328 0.482 7.111
264 HG LEU 64 HG LEU 64 6.298 -0.019 6.899
265 HD11 LEU 64 HD11 LEU 64 5.685 1.648 8.571
266 HD12 LEU 64 HD12 LEU 64 6.259 0.162 9.328
267 HD13 LEU 64 HD13 LEU 64 4.533 0.518 9.282
268 HD21 LEU 64 HD21 LEU 64 4.115 -1.731 8.078
269 HD22 LEU 64 HD22 LEU 64 5.844 -2.009 8.282
270 HD23 LEU 64 HD23 LEU 64 5.118 -2.116 6.680
271 H LEU 65 HN LEU 65 1.671 -1.035 5.050
272 HA LEU 65 HA LEU 65 0.739 0.568 2.893
273 HB2 LEU 65 HB2 LEU 65 -0.091 -1.691 3.372
274 HB3 LEU 65 HB1 LEU 65 -0.718 -1.140 4.912
275 HG LEU 65 HG LEU 65 -2.374 -1.496 2.998
276 HD11 LEU 65 HD11 LEU 65 -3.749 0.403 3.700
277 HD12 LEU 65 HD12 LEU 65 -2.348 1.111 4.498
278 HD13 LEU 65 HD13 LEU 65 -3.003 -0.426 5.063
279 HD21 LEU 65 HD21 LEU 65 -1.269 1.176 2.155
280 HD22 LEU 65 HD22 LEU 65 -2.703 0.388 1.495
281 HD23 LEU 65 HD23 LEU 65 -1.113 -0.337 1.263
282 H VAL 66 HN VAL 66 0.025 2.593 2.955
283 HA VAL 66 HA VAL 66 -0.673 3.721 5.577
284 HB VAL 66 HB VAL 66 -0.146 5.953 4.565
285 HG11 VAL 66 HG11 VAL 66 2.095 3.932 4.574
286 HG12 VAL 66 HG12 VAL 66 1.475 4.808 5.976
287 HG13 VAL 66 HG13 VAL 66 2.292 5.681 4.678
288 HG21 VAL 66 HG21 VAL 66 -0.396 5.382 2.204
289 HG22 VAL 66 HG22 VAL 66 0.990 4.297 2.312
290 HG23 VAL 66 HG23 VAL 66 1.211 6.032 2.529
291 H ASP 67 HN ASP 67 -2.760 3.823 5.873
292 HA ASP 67 HA ASP 67 -4.969 4.255 5.629
293 HB2 ASP 67 HB2 ASP 67 -3.983 5.887 3.291
294 HB3 ASP 67 HB1 ASP 67 -5.683 5.796 3.735
295 H GLY 68 HN GLY 68 -5.650 2.179 5.306
296 HA2 GLY 68 HA2 GLY 68 -6.907 1.598 2.829
297 HA3 GLY 68 HA1 GLY 68 -5.432 0.667 2.978
298 H ASP 69 HN ASP 69 -5.557 -1.219 3.949
299 HA ASP 69 HA ASP 69 -6.434 -3.067 4.929
300 HB2 ASP 69 HB2 ASP 69 -6.058 -1.431 6.922
301 HB3 ASP 69 HB1 ASP 69 -7.816 -1.312 6.939
302 H GLY 70 HN GLY 70 -7.906 -2.028 2.805
303 HA2 GLY 70 HA2 GLY 70 -10.066 -3.509 2.518
304 HA3 GLY 70 HA1 GLY 70 -10.713 -2.253 3.563
305 HA PRO 71 HA PRO 71 -11.236 0.226 -0.103
306 HB2 PRO 71 HB2 PRO 71 -11.306 2.690 0.965
307 HB3 PRO 71 HB1 PRO 71 -12.626 1.538 1.197
308 HG2 PRO 71 HG2 PRO 71 -10.406 2.277 3.060
309 HG3 PRO 71 HG1 PRO 71 -12.121 2.005 3.415
310 HD2 PRO 71 HD2 PRO 71 -10.163 0.140 3.845
311 HD3 PRO 71 HD1 PRO 71 -11.861 -0.267 3.530
312 H GLU 72 HN GLU 72 -9.916 1.134 -1.579
313 HA GLU 72 HA GLU 72 -7.114 1.199 -1.045
314 HB2 GLU 72 HB2 GLU 72 -8.650 2.102 -3.484
315 HB3 GLU 72 HB1 GLU 72 -6.907 1.928 -3.395
316 HG2 GLU 72 HG2 GLU 72 -7.224 -0.490 -2.962
317 HG3 GLU 72 HG1 GLU 72 -8.955 -0.261 -3.214
318 H GLU 73 HN GLU 73 -9.566 3.646 -1.743
319 HA GLU 73 HA GLU 73 -7.626 5.738 -1.066
320 HB2 GLU 73 HB2 GLU 73 -7.735 5.216 -3.560
321 HB3 GLU 73 HB1 GLU 73 -9.372 5.858 -3.521
322 HG2 GLU 73 HG2 GLU 73 -8.495 8.013 -2.758
323 HG3 GLU 73 HG1 GLU 73 -6.857 7.359 -2.842
324 H LYS 74 HN LYS 74 -9.911 4.650 0.347
325 HA LYS 74 HA LYS 74 -11.827 6.870 0.237
326 HB2 LYS 74 HB2 LYS 74 -12.653 4.508 0.192
327 HB3 LYS 74 HB1 LYS 74 -11.999 4.295 1.807
328 HG2 LYS 74 HG2 LYS 74 -13.510 5.990 2.666
329 HG3 LYS 74 HG1 LYS 74 -14.153 6.257 1.046
330 HD2 LYS 74 HD2 LYS 74 -14.272 3.645 2.552
331 HD3 LYS 74 HD1 LYS 74 -15.600 4.799 2.420
332 HE2 LYS 74 HE2 LYS 74 -15.609 4.518 -0.008
333 HE3 LYS 74 HE1 LYS 74 -14.262 3.389 0.113
334 HZ1 LYS 74 HZ1 LYS 74 -16.424 2.288 -0.112
335 HZ2 LYS 74 HZ2 LYS 74 -16.922 2.970 1.351
336 HZ3 LYS 74 HZ3 LYS 74 -15.638 1.870 1.325
337 H LYS 75 HN LYS 75 -9.124 5.808 1.905
338 HA LYS 75 HA LYS 75 -9.811 7.352 4.304
339 HB2 LYS 75 HB2 LYS 75 -7.696 5.237 3.868
340 HB3 LYS 75 HB1 LYS 75 -7.849 6.189 5.338
341 HG2 LYS 75 HG2 LYS 75 -10.105 5.266 5.672
342 HG3 LYS 75 HG1 LYS 75 -9.893 4.275 4.227
343 HD2 LYS 75 HD2 LYS 75 -7.990 3.155 5.258
344 HD3 LYS 75 HD1 LYS 75 -8.156 4.168 6.693
345 HE2 LYS 75 HE2 LYS 75 -10.392 3.232 7.077
346 HE3 LYS 75 HE1 LYS 75 -10.196 2.205 5.659
347 HZ1 LYS 75 HZ1 LYS 75 -9.704 1.012 7.701
348 HZ2 LYS 75 HZ2 LYS 75 -8.494 2.126 8.088
349 HZ3 LYS 75 HZ3 LYS 75 -8.322 1.132 6.731
Start of MODEL 10
1 H1 GLN 28 HT1 GLN 28 -10.664 4.985 -6.224
2 H2 GLN 28 HT2 GLN 28 -9.522 4.727 -7.442
3 H3 GLN 28 HT3 GLN 28 -9.040 5.364 -5.956
4 HA GLN 28 HA GLN 28 -9.659 3.308 -4.846
5 HB2 GLN 28 HB2 GLN 28 -10.289 2.454 -7.672
6 HB3 GLN 28 HB1 GLN 28 -10.082 1.328 -6.340
7 HG2 GLN 28 HG2 GLN 28 -11.941 2.440 -5.161
8 HG3 GLN 28 HG1 GLN 28 -12.179 3.471 -6.572
9 HE21 GLN 28 HE21 GLN 28 -11.267 0.096 -6.736
10 HE22 GLN 28 HE22 GLN 28 -12.748 -0.457 -7.443
11 H ALA 29 HN ALA 29 -7.422 3.943 -4.526
12 HA ALA 29 HA ALA 29 -5.638 2.039 -5.836
13 HB1 ALA 29 HB1 ALA 29 -5.303 4.141 -7.044
14 HB2 ALA 29 HB2 ALA 29 -3.875 3.712 -6.100
15 HB3 ALA 29 HB3 ALA 29 -4.972 4.964 -5.520
16 H VAL 30 HN VAL 30 -4.095 1.199 -4.447
17 HA VAL 30 HA VAL 30 -4.351 2.059 -1.661
18 HB VAL 30 HB VAL 30 -3.321 0.001 -1.001
19 HG11 VAL 30 HG11 VAL 30 -5.667 -0.174 -1.527
20 HG12 VAL 30 HG12 VAL 30 -4.846 -1.663 -1.994
21 HG13 VAL 30 HG13 VAL 30 -5.299 -0.483 -3.223
22 HG21 VAL 30 HG21 VAL 30 -1.613 -0.084 -2.782
23 HG22 VAL 30 HG22 VAL 30 -2.856 -0.631 -3.909
24 HG23 VAL 30 HG23 VAL 30 -2.424 -1.626 -2.519
25 H GLU 31 HN GLU 31 -2.590 2.736 -0.441
26 HA GLU 31 HA GLU 31 -0.233 3.489 -2.034
27 HB2 GLU 31 HB2 GLU 31 -1.603 5.051 0.157
28 HB3 GLU 31 HB1 GLU 31 -0.097 5.522 -0.620
29 HG2 GLU 31 HG2 GLU 31 -1.270 5.650 -2.774
30 HG3 GLU 31 HG1 GLU 31 -2.776 5.234 -1.961
31 H TYR 32 HN TYR 32 1.722 3.065 -1.227
32 HA TYR 32 HA TYR 32 1.881 2.082 1.546
33 HB2 TYR 32 HB2 TYR 32 3.186 0.951 -0.931
34 HB3 TYR 32 HB1 TYR 32 3.730 0.560 0.696
35 HD1 TYR 32 HD2 TYR 32 0.951 0.211 -1.703
36 HD2 TYR 32 HD1 TYR 32 2.517 -0.955 2.074
37 HE1 TYR 32 HE2 TYR 32 -0.715 -1.591 -1.578
38 HE2 TYR 32 HE1 TYR 32 0.854 -2.756 2.217
39 HH TYR 32 HH TYR 32 -1.245 -3.388 1.335
40 H ALA 33 HN ALA 33 3.677 2.651 2.713
41 HA ALA 33 HA ALA 33 5.628 4.398 1.378
42 HB1 ALA 33 HB1 ALA 33 3.994 5.775 2.595
43 HB2 ALA 33 HB2 ALA 33 5.621 5.911 3.262
44 HB3 ALA 33 HB3 ALA 33 4.410 4.925 4.083
45 H CYS 34 HN CYS 34 7.585 3.546 1.585
46 HA CYS 34 HA CYS 34 8.092 1.650 3.736
47 HB2 CYS 34 HB2 CYS 34 8.732 1.065 1.414
48 HB3 CYS 34 HB1 CYS 34 9.836 2.429 1.389
49 H GLU 35 HN GLU 35 10.139 1.761 4.897
50 HA GLU 35 HA GLU 35 10.504 4.290 6.134
51 HB2 GLU 35 HB2 GLU 35 12.317 3.130 7.385
52 HB3 GLU 35 HB1 GLU 35 10.781 2.278 7.428
53 HG2 GLU 35 HG2 GLU 35 11.548 0.695 5.794
54 HG3 GLU 35 HG1 GLU 35 13.040 1.604 5.560
55 H LYS 36 HN LYS 36 11.587 3.148 3.244
56 HA LYS 36 HA LYS 36 14.165 4.362 3.134
57 HB2 LYS 36 HB2 LYS 36 12.258 3.623 0.923
58 HB3 LYS 36 HB1 LYS 36 13.939 4.061 0.696
59 HG2 LYS 36 HG2 LYS 36 12.904 1.654 2.175
60 HG3 LYS 36 HG1 LYS 36 13.667 1.663 0.585
61 HD2 LYS 36 HD2 LYS 36 15.747 2.440 1.554
62 HD3 LYS 36 HD1 LYS 36 14.993 2.551 3.145
63 HE2 LYS 36 HE2 LYS 36 14.571 0.123 3.077
64 HE3 LYS 36 HE1 LYS 36 15.414 0.043 1.531
65 HZ1 LYS 36 HZ1 LYS 36 16.622 0.961 4.082
66 HZ2 LYS 36 HZ2 LYS 36 17.423 0.781 2.605
67 HZ3 LYS 36 HZ3 LYS 36 16.827 -0.578 3.413
68 H GLY 37 HN GLY 37 10.993 5.549 3.146
69 HA2 GLY 37 HA2 GLY 37 10.478 7.847 3.331
70 HA3 GLY 37 HA1 GLY 37 11.983 8.229 2.510
71 H HIS 38 HN HIS 38 10.584 5.761 0.858
72 HA HIS 38 HA HIS 38 9.486 7.645 -1.103
73 HB2 HIS 38 HB2 HIS 38 10.864 4.979 -1.392
74 HB3 HIS 38 HB1 HIS 38 9.887 5.645 -2.703
75 HD2 HIS 38 HD2 HIS 38 11.668 8.495 -1.052
76 HE1 HIS 38 HE1 HIS 38 14.210 7.204 -4.172
77 HE2 HIS 38 HE2 HIS 38 13.867 8.926 -2.351
78 H ARG 39 HN ARG 39 7.391 7.651 -1.440
79 HA ARG 39 HA ARG 39 5.759 5.388 -0.524
80 HB2 ARG 39 HB2 ARG 39 4.947 8.183 -1.358
81 HB3 ARG 39 HB1 ARG 39 3.841 6.933 -0.814
82 HG2 ARG 39 HG2 ARG 39 5.136 6.901 1.349
83 HG3 ARG 39 HG1 ARG 39 5.945 8.361 0.783
84 HD2 ARG 39 HD2 ARG 39 3.817 9.510 0.612
85 HD3 ARG 39 HD1 ARG 39 2.962 8.040 1.070
86 HE ARG 39 HE ARG 39 4.902 9.164 2.952
87 HH11 ARG 39 HH11 ARG 39 1.552 8.589 2.088
88 HH12 ARG 39 HH12 ARG 39 0.959 8.896 3.689
89 HH21 ARG 39 HH21 ARG 39 4.114 9.582 5.058
90 HH22 ARG 39 HH22 ARG 39 2.410 9.457 5.377
91 H PHE 40 HN PHE 40 4.084 4.559 -1.936
92 HA PHE 40 HA PHE 40 4.147 5.290 -4.725
93 HB2 PHE 40 HB2 PHE 40 4.698 2.995 -5.517
94 HB3 PHE 40 HB1 PHE 40 6.044 3.812 -4.736
95 HD1 PHE 40 HD2 PHE 40 6.689 3.152 -2.418
96 HD2 PHE 40 HD1 PHE 40 3.853 0.958 -4.709
97 HE1 PHE 40 HE2 PHE 40 6.995 1.218 -0.934
98 HE2 PHE 40 HE1 PHE 40 4.154 -0.984 -3.229
99 HZ PHE 40 HZ PHE 40 5.726 -0.855 -1.340
100 H GLU 41 HN GLU 41 2.536 4.244 -5.983
101 HA GLU 41 HA GLU 41 0.252 3.353 -4.353
102 HB2 GLU 41 HB2 GLU 41 0.211 4.410 -7.185
103 HB3 GLU 41 HB1 GLU 41 -1.161 4.189 -6.109
104 HG2 GLU 41 HG2 GLU 41 -0.524 6.012 -4.760
105 HG3 GLU 41 HG1 GLU 41 1.071 6.102 -5.505
106 H MET 42 HN MET 42 -0.865 1.472 -4.944
107 HA MET 42 HA MET 42 0.169 -0.011 -7.252
108 HB2 MET 42 HB2 MET 42 -0.043 -1.099 -4.439
109 HB3 MET 42 HB1 MET 42 0.105 -2.122 -5.865
110 HG2 MET 42 HG2 MET 42 2.219 -0.784 -6.386
111 HG3 MET 42 HG1 MET 42 2.103 -0.200 -4.728
112 HE1 MET 42 HE1 MET 42 2.294 -3.614 -2.748
113 HE2 MET 42 HE2 MET 42 0.847 -2.797 -3.336
114 HE3 MET 42 HE3 MET 42 2.144 -1.863 -2.592
115 HA PRO 43 HA PRO 43 -4.129 -0.853 -7.816
116 HB2 PRO 43 HB2 PRO 43 -3.996 -2.741 -9.711
117 HB3 PRO 43 HB1 PRO 43 -3.513 -1.072 -10.031
118 HG2 PRO 43 HG2 PRO 43 -1.815 -3.470 -9.505
119 HG3 PRO 43 HG1 PRO 43 -1.549 -2.131 -10.634
120 HD2 PRO 43 HD2 PRO 43 -0.370 -2.371 -8.135
121 HD3 PRO 43 HD1 PRO 43 -0.530 -0.859 -9.047
122 H PHE 44 HN PHE 44 -5.463 -1.918 -6.537
123 HA PHE 44 HA PHE 44 -5.141 -4.790 -6.139
124 HB2 PHE 44 HB2 PHE 44 -4.976 -2.731 -4.018
125 HB3 PHE 44 HB1 PHE 44 -6.003 -4.119 -3.657
126 HD1 PHE 44 HD2 PHE 44 -4.983 -6.436 -3.831
127 HD2 PHE 44 HD1 PHE 44 -2.664 -2.871 -3.860
128 HE1 PHE 44 HE2 PHE 44 -2.983 -7.735 -3.227
129 HE2 PHE 44 HE1 PHE 44 -0.662 -4.165 -3.256
130 HZ PHE 44 HZ PHE 44 -0.856 -6.646 -2.920
131 H SER 45 HN SER 45 -7.179 -5.445 -4.659
132 HA SER 45 HA SER 45 -9.501 -4.606 -6.183
133 HB2 SER 45 HB2 SER 45 -9.380 -6.605 -3.940
134 HB3 SER 45 HB1 SER 45 -10.594 -6.495 -5.210
135 HG SER 45 HG SER 45 -9.161 -8.157 -5.701
136 H VAL 46 HN VAL 46 -11.236 -3.517 -5.340
137 HA VAL 46 HA VAL 46 -10.759 -1.960 -2.968
138 HB VAL 46 HB VAL 46 -11.875 -1.159 -5.108
139 HG11 VAL 46 HG11 VAL 46 -14.321 -1.433 -5.237
140 HG12 VAL 46 HG12 VAL 46 -14.231 -2.609 -3.925
141 HG13 VAL 46 HG13 VAL 46 -13.439 -2.941 -5.464
142 HG21 VAL 46 HG21 VAL 46 -11.848 0.297 -3.239
143 HG22 VAL 46 HG22 VAL 46 -13.112 -0.624 -2.419
144 HG23 VAL 46 HG23 VAL 46 -13.499 0.309 -3.864
145 H GLU 47 HN GLU 47 -11.968 -4.980 -3.547
146 HA GLU 47 HA GLU 47 -13.657 -4.971 -1.143
147 HB2 GLU 47 HB2 GLU 47 -13.455 -6.971 -3.399
148 HB3 GLU 47 HB1 GLU 47 -14.467 -7.169 -1.976
149 HG2 GLU 47 HG2 GLU 47 -15.742 -5.193 -2.593
150 HG3 GLU 47 HG1 GLU 47 -14.716 -4.967 -4.011
151 H ALA 48 HN ALA 48 -10.562 -5.288 -1.695
152 HA ALA 48 HA ALA 48 -10.191 -7.860 -0.322
153 HB1 ALA 48 HB1 ALA 48 -9.002 -7.720 -2.415
154 HB2 ALA 48 HB2 ALA 48 -7.839 -7.692 -1.091
155 HB3 ALA 48 HB3 ALA 48 -8.251 -6.197 -1.932
156 H GLU 49 HN GLU 49 -9.128 -7.991 1.604
157 HA GLU 49 HA GLU 49 -8.794 -5.639 3.173
158 HB2 GLU 49 HB2 GLU 49 -7.856 -8.476 3.637
159 HB3 GLU 49 HB1 GLU 49 -7.728 -7.182 4.821
160 HG2 GLU 49 HG2 GLU 49 -10.202 -6.945 4.726
161 HG3 GLU 49 HG1 GLU 49 -10.246 -8.377 3.696
162 H ILE 50 HN ILE 50 -7.384 -4.278 2.195
163 HA ILE 50 HA ILE 50 -5.008 -4.949 0.901
164 HB ILE 50 HB ILE 50 -5.552 -2.328 2.317
165 HG12 ILE 50 HG12 ILE 50 -7.483 -2.827 0.953
166 HG13 ILE 50 HG11 ILE 50 -6.523 -1.606 0.125
167 HG21 ILE 50 HG21 ILE 50 -4.116 -1.368 0.621
168 HG22 ILE 50 HG22 ILE 50 -3.924 -2.945 -0.147
169 HG23 ILE 50 HG23 ILE 50 -3.261 -2.661 1.464
170 HD11 ILE 50 HD11 ILE 50 -5.581 -3.378 -1.312
171 HD12 ILE 50 HD12 ILE 50 -7.331 -3.222 -1.458
172 HD13 ILE 50 HD13 ILE 50 -6.640 -4.544 -0.520
173 HA PRO 51 HA PRO 51 -2.658 -6.400 4.412
174 HB2 PRO 51 HB2 PRO 51 -0.422 -5.993 2.497
175 HB3 PRO 51 HB1 PRO 51 -0.846 -7.424 3.444
176 HG2 PRO 51 HG2 PRO 51 -1.340 -7.329 0.831
177 HG3 PRO 51 HG1 PRO 51 -2.489 -8.088 1.948
178 HD2 PRO 51 HD2 PRO 51 -2.623 -5.421 0.607
179 HD3 PRO 51 HD1 PRO 51 -3.924 -6.577 0.958
180 HA PRO 52 HA PRO 52 -1.273 -2.486 6.063
181 HB2 PRO 52 HB2 PRO 52 0.021 -4.121 8.143
182 HB3 PRO 52 HB1 PRO 52 -1.245 -2.899 8.300
183 HG2 PRO 52 HG2 PRO 52 -1.770 -5.504 8.622
184 HG3 PRO 52 HG1 PRO 52 -2.938 -4.409 7.857
185 HD2 PRO 52 HD2 PRO 52 -1.056 -6.360 6.578
186 HD3 PRO 52 HD1 PRO 52 -2.757 -6.016 6.198
187 H GLU 53 HN GLU 53 0.665 -4.902 4.826
188 HA GLU 53 HA GLU 53 2.978 -3.174 4.673
189 HB2 GLU 53 HB2 GLU 53 4.412 -5.225 5.422
190 HB3 GLU 53 HB1 GLU 53 3.683 -4.195 6.648
191 HG2 GLU 53 HG2 GLU 53 1.862 -5.767 6.923
192 HG3 GLU 53 HG1 GLU 53 2.527 -6.786 5.651
193 H TRP 54 HN TRP 54 4.095 -3.527 2.785
194 HA TRP 54 HA TRP 54 3.666 -6.013 1.353
195 HB2 TRP 54 HB2 TRP 54 2.008 -3.906 0.774
196 HB3 TRP 54 HB1 TRP 54 3.285 -3.728 -0.424
197 HD1 TRP 54 HD1 TRP 54 0.513 -6.123 0.666
198 HE1 TRP 54 HE1 TRP 54 0.031 -7.770 -1.250
199 HE3 TRP 54 HE3 TRP 54 4.322 -4.839 -2.495
200 HZ2 TRP 54 HZ2 TRP 54 1.111 -8.433 -3.766
201 HZ3 TRP 54 HZ3 TRP 54 4.523 -6.028 -4.637
202 HH2 TRP 54 HH2 TRP 54 2.952 -7.790 -5.259
203 H GLU 55 HN GLU 55 5.070 -6.218 -0.534
204 HA GLU 55 HA GLU 55 7.696 -5.299 0.014
205 HB2 GLU 55 HB2 GLU 55 7.156 -7.478 -1.038
206 HB3 GLU 55 HB1 GLU 55 6.622 -6.626 -2.479
207 HG2 GLU 55 HG2 GLU 55 8.867 -5.768 -2.825
208 HG3 GLU 55 HG1 GLU 55 9.412 -6.572 -1.353
209 H CYS 56 HN CYS 56 8.857 -3.686 -0.841
210 HA CYS 56 HA CYS 56 7.447 -1.630 -2.304
211 HB2 CYS 56 HB2 CYS 56 8.758 -0.813 -0.516
212 HB3 CYS 56 HB1 CYS 56 10.143 -1.793 -0.973
213 H LYS 57 HN LYS 57 7.318 -1.798 -4.426
214 HA LYS 57 HA LYS 57 9.262 -3.160 -6.027
215 HB2 LYS 57 HB2 LYS 57 6.749 -1.642 -6.550
216 HB3 LYS 57 HB1 LYS 57 7.871 -1.854 -7.882
217 HG2 LYS 57 HG2 LYS 57 6.192 -3.560 -7.971
218 HG3 LYS 57 HG1 LYS 57 7.740 -4.295 -7.575
219 HD2 LYS 57 HD2 LYS 57 5.926 -3.516 -5.345
220 HD3 LYS 57 HD1 LYS 57 5.528 -4.949 -6.294
221 HE2 LYS 57 HE2 LYS 57 8.133 -4.446 -4.852
222 HE3 LYS 57 HE1 LYS 57 6.844 -5.518 -4.310
223 HZ1 LYS 57 HZ1 LYS 57 7.171 -6.816 -6.359
224 HZ2 LYS 57 HZ2 LYS 57 8.546 -6.802 -5.371
225 HZ3 LYS 57 HZ3 LYS 57 8.490 -5.836 -6.761
226 H VAL 58 HN VAL 58 9.141 -0.086 -4.665
227 HA VAL 58 HA VAL 58 10.272 1.376 -6.862
228 HB VAL 58 HB VAL 58 9.944 2.163 -3.963
229 HG11 VAL 58 HG11 VAL 58 10.283 4.460 -4.746
230 HG12 VAL 58 HG12 VAL 58 10.631 3.852 -6.366
231 HG13 VAL 58 HG13 VAL 58 11.706 3.457 -5.024
232 HG21 VAL 58 HG21 VAL 58 8.050 3.486 -4.785
233 HG22 VAL 58 HG22 VAL 58 7.819 1.759 -5.065
234 HG23 VAL 58 HG23 VAL 58 8.290 2.814 -6.397
235 H CYS 59 HN CYS 59 11.528 0.517 -3.608
236 HA CYS 59 HA CYS 59 14.210 1.017 -4.723
237 HB2 CYS 59 HB2 CYS 59 13.422 2.550 -2.907
238 HB3 CYS 59 HB1 CYS 59 13.384 1.166 -1.821
239 H GLY 60 HN GLY 60 12.484 -1.083 -2.394
240 HA2 GLY 60 HA2 GLY 60 12.959 -3.511 -3.013
241 HA3 GLY 60 HA1 GLY 60 14.643 -3.054 -2.815
242 H ALA 61 HN ALA 61 11.628 -2.663 -0.943
243 HA ALA 61 HA ALA 61 12.875 -3.960 1.334
244 HB1 ALA 61 HB1 ALA 61 13.635 -1.642 1.544
245 HB2 ALA 61 HB2 ALA 61 12.514 -2.065 2.838
246 HB3 ALA 61 HB3 ALA 61 11.962 -1.083 1.480
247 H GLN 62 HN GLN 62 11.142 -3.489 3.298
248 HA GLN 62 HA GLN 62 8.564 -4.313 2.182
249 HB2 GLN 62 HB2 GLN 62 9.588 -5.738 3.937
250 HB3 GLN 62 HB1 GLN 62 9.510 -4.383 5.055
251 HG2 GLN 62 HG2 GLN 62 7.076 -4.365 4.863
252 HG3 GLN 62 HG1 GLN 62 7.155 -5.725 3.743
253 HE21 GLN 62 HE21 GLN 62 5.965 -7.076 5.039
254 HE22 GLN 62 HE22 GLN 62 6.572 -7.724 6.524
255 H ALA 63 HN ALA 63 7.337 -2.632 1.710
256 HA ALA 63 HA ALA 63 7.506 -0.159 3.200
257 HB1 ALA 63 HB1 ALA 63 7.287 -0.171 0.745
258 HB2 ALA 63 HB2 ALA 63 5.986 0.714 1.539
259 HB3 ALA 63 HB3 ALA 63 5.694 -0.908 0.912
260 H LEU 64 HN LEU 64 5.925 0.683 4.511
261 HA LEU 64 HA LEU 64 3.903 -1.192 5.430
262 HB2 LEU 64 HB2 LEU 64 4.786 1.495 6.469
263 HB3 LEU 64 HB1 LEU 64 3.465 0.574 7.163
264 HG LEU 64 HG LEU 64 6.350 -0.306 7.037
265 HD11 LEU 64 HD11 LEU 64 5.976 1.479 8.644
266 HD12 LEU 64 HD12 LEU 64 6.285 -0.050 9.464
267 HD13 LEU 64 HD13 LEU 64 4.639 0.573 9.354
268 HD21 LEU 64 HD21 LEU 64 3.925 -1.649 8.233
269 HD22 LEU 64 HD22 LEU 64 5.593 -2.165 8.475
270 HD23 LEU 64 HD23 LEU 64 4.878 -2.222 6.864
271 H LEU 65 HN LEU 65 1.804 -0.971 5.165
272 HA LEU 65 HA LEU 65 0.812 0.569 3.010
273 HB2 LEU 65 HB2 LEU 65 -0.056 -1.617 3.588
274 HB3 LEU 65 HB1 LEU 65 -0.504 -1.051 5.180
275 HG LEU 65 HG LEU 65 -2.364 -1.420 3.485
276 HD11 LEU 65 HD11 LEU 65 -3.649 0.476 4.315
277 HD12 LEU 65 HD12 LEU 65 -2.163 1.235 4.882
278 HD13 LEU 65 HD13 LEU 65 -2.707 -0.283 5.596
279 HD21 LEU 65 HD21 LEU 65 -1.323 1.204 2.447
280 HD22 LEU 65 HD22 LEU 65 -2.851 0.447 1.995
281 HD23 LEU 65 HD23 LEU 65 -1.324 -0.333 1.584
282 H VAL 66 HN VAL 66 -0.059 2.568 2.990
283 HA VAL 66 HA VAL 66 -0.625 3.819 5.593
284 HB VAL 66 HB VAL 66 -0.081 6.022 4.463
285 HG11 VAL 66 HG11 VAL 66 1.434 4.965 6.055
286 HG12 VAL 66 HG12 VAL 66 2.337 5.763 4.766
287 HG13 VAL 66 HG13 VAL 66 2.149 4.010 4.755
288 HG21 VAL 66 HG21 VAL 66 -0.188 5.271 2.140
289 HG22 VAL 66 HG22 VAL 66 1.192 4.210 2.414
290 HG23 VAL 66 HG23 VAL 66 1.392 5.959 2.514
291 H ASP 67 HN ASP 67 -2.694 4.065 5.888
292 HA ASP 67 HA ASP 67 -4.894 4.496 5.612
293 HB2 ASP 67 HB2 ASP 67 -3.932 6.057 3.210
294 HB3 ASP 67 HB1 ASP 67 -5.584 6.088 3.815
295 H GLY 68 HN GLY 68 -4.973 2.172 5.218
296 HA2 GLY 68 HA2 GLY 68 -6.504 1.638 2.818
297 HA3 GLY 68 HA1 GLY 68 -4.991 0.754 2.927
298 H ASP 69 HN ASP 69 -4.906 -1.048 4.118
299 HA ASP 69 HA ASP 69 -5.421 -2.728 5.539
300 HB2 ASP 69 HB2 ASP 69 -7.328 -0.727 6.757
301 HB3 ASP 69 HB1 ASP 69 -7.055 -2.342 7.401
302 H GLY 70 HN GLY 70 -8.231 -1.038 4.250
303 HA2 GLY 70 HA2 GLY 70 -9.273 -3.620 3.333
304 HA3 GLY 70 HA1 GLY 70 -10.329 -2.573 4.273
305 HA PRO 71 HA PRO 71 -11.248 -0.270 0.585
306 HB2 PRO 71 HB2 PRO 71 -11.224 2.314 1.360
307 HB3 PRO 71 HB1 PRO 71 -12.485 1.187 1.865
308 HG2 PRO 71 HG2 PRO 71 -10.071 2.125 3.365
309 HG3 PRO 71 HG1 PRO 71 -11.734 1.903 3.944
310 HD2 PRO 71 HD2 PRO 71 -9.754 0.090 4.382
311 HD3 PRO 71 HD1 PRO 71 -11.464 -0.360 4.233
312 H GLU 72 HN GLU 72 -10.346 0.864 -1.130
313 HA GLU 72 HA GLU 72 -7.540 1.679 -0.795
314 HB2 GLU 72 HB2 GLU 72 -7.339 1.278 -3.268
315 HB3 GLU 72 HB1 GLU 72 -7.619 -0.167 -2.308
316 HG2 GLU 72 HG2 GLU 72 -9.924 -0.221 -2.967
317 HG3 GLU 72 HG1 GLU 72 -9.763 1.318 -3.806
318 H GLU 73 HN GLU 73 -7.225 3.771 -0.846
319 HA GLU 73 HA GLU 73 -7.490 5.996 -1.151
320 HB2 GLU 73 HB2 GLU 73 -7.220 5.450 -3.529
321 HB3 GLU 73 HB1 GLU 73 -8.948 5.155 -3.665
322 HG2 GLU 73 HG2 GLU 73 -8.400 7.318 -4.566
323 HG3 GLU 73 HG1 GLU 73 -9.379 7.504 -3.113
324 H LYS 74 HN LYS 74 -8.783 6.072 0.713
325 HA LYS 74 HA LYS 74 -11.504 6.949 0.185
326 HB2 LYS 74 HB2 LYS 74 -11.604 4.492 0.641
327 HB3 LYS 74 HB1 LYS 74 -10.912 4.799 2.226
328 HG2 LYS 74 HG2 LYS 74 -12.849 6.081 2.873
329 HG3 LYS 74 HG1 LYS 74 -13.528 5.926 1.249
330 HD2 LYS 74 HD2 LYS 74 -13.630 3.497 1.529
331 HD3 LYS 74 HD1 LYS 74 -12.966 3.655 3.154
332 HE2 LYS 74 HE2 LYS 74 -14.916 4.966 3.825
333 HE3 LYS 74 HE1 LYS 74 -15.571 4.828 2.194
334 HZ1 LYS 74 HZ1 LYS 74 -15.050 2.563 4.039
335 HZ2 LYS 74 HZ2 LYS 74 -15.688 2.435 2.479
336 HZ3 LYS 74 HZ3 LYS 74 -16.568 3.219 3.691
337 H LYS 75 HN LYS 75 -8.692 6.756 2.210
338 HA LYS 75 HA LYS 75 -9.827 8.788 4.001
339 HB2 LYS 75 HB2 LYS 75 -7.461 6.943 4.358
340 HB3 LYS 75 HB1 LYS 75 -7.904 8.210 5.492
341 HG2 LYS 75 HG2 LYS 75 -10.044 7.119 5.893
342 HG3 LYS 75 HG1 LYS 75 -9.621 5.857 4.736
343 HD2 LYS 75 HD2 LYS 75 -7.770 5.152 6.124
344 HD3 LYS 75 HD1 LYS 75 -8.066 6.482 7.245
345 HE2 LYS 75 HE2 LYS 75 -10.247 5.543 7.794
346 HE3 LYS 75 HE1 LYS 75 -9.982 4.231 6.648
347 HZ1 LYS 75 HZ1 LYS 75 -9.515 3.558 8.927
348 HZ2 LYS 75 HZ2 LYS 75 -8.330 4.753 9.059
349 HZ3 LYS 75 HZ3 LYS 75 -8.124 3.476 7.972