NMR Restraints Grid
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NMR Restraints Grid |
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Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
556411 |
2lvh   |
18570 | cing | 1-original | 5 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 HA MET 7 HA MET 7 -12.296 -0.504 -8.155
2 HB2 MET 7 2HB MET 7 -14.418 1.656 -8.184
3 HB3 MET 7 1HB MET 7 -13.357 1.287 -9.532
4 HG2 MET 7 2HG MET 7 -15.431 0.259 -9.980
5 HG3 MET 7 1HG MET 7 -14.305 -1.024 -9.543
6 HE1 MET 7 2HE MET 7 -16.187 1.541 -7.213
7 HE2 MET 7 3HE MET 7 -17.610 0.603 -6.755
8 HE3 MET 7 1HE MET 7 -17.393 1.122 -8.427
9 H GLU 8 H GLU 8 -10.407 0.032 -6.993
10 HA GLU 8 HA GLU 8 -9.630 2.799 -7.221
11 HB2 GLU 8 2HB GLU 8 -9.024 3.109 -4.888
12 HB3 GLU 8 1HB GLU 8 -10.741 2.775 -5.018
13 HG2 GLU 8 2HG GLU 8 -8.749 0.626 -4.360
14 HG3 GLU 8 1HG GLU 8 -9.458 1.662 -3.125
15 H ARG 9 H ARG 9 -7.320 3.078 -6.629
16 HA ARG 9 HA ARG 9 -5.842 0.635 -7.243
17 HB2 ARG 9 2HB ARG 9 -5.321 2.404 -8.745
18 HB3 ARG 9 1HB ARG 9 -5.098 3.551 -7.433
19 HG2 ARG 9 2HG ARG 9 -3.078 2.469 -6.755
20 HG3 ARG 9 1HG ARG 9 -3.345 1.150 -7.897
21 HD2 ARG 9 2HD ARG 9 -3.008 4.031 -8.712
22 HD3 ARG 9 1HD ARG 9 -1.678 2.877 -8.632
23 HE ARG 9 HE ARG 9 -3.318 1.571 -10.240
24 HH11 ARG 9 1HH1 ARG 9 -2.511 4.980 -10.246
25 HH12 ARG 9 2HH1 ARG 9 -2.673 5.148 -11.971
26 HH21 ARG 9 1HH2 ARG 9 -3.546 1.789 -12.502
27 HH22 ARG 9 2HH2 ARG 9 -3.275 3.331 -13.252
28 H VAL 10 H VAL 10 -4.938 -0.405 -5.689
29 HA VAL 10 HA VAL 10 -4.435 0.948 -3.134
30 HB VAL 10 HB VAL 10 -4.361 -1.337 -2.146
31 HG11 VAL 10 1HG1 VAL 10 -6.400 -0.012 -2.058
32 HG12 VAL 10 2HG1 VAL 10 -6.777 -1.726 -2.238
33 HG13 VAL 10 3HG1 VAL 10 -6.894 -0.646 -3.628
34 HG21 VAL 10 3HG2 VAL 10 -5.418 -2.266 -4.814
35 HG22 VAL 10 1HG2 VAL 10 -5.111 -3.252 -3.381
36 HG23 VAL 10 2HG2 VAL 10 -3.765 -2.521 -4.257
37 H TYR 11 H TYR 11 -2.519 0.041 -1.890
38 HA TYR 11 HA TYR 11 -0.276 -0.460 -3.729
39 HB2 TYR 11 2HB TYR 11 -0.042 1.439 -1.401
40 HB3 TYR 11 1HB TYR 11 1.007 1.290 -2.806
41 HD1 TYR 11 1HD TYR 11 0.402 2.341 -4.930
42 HD2 TYR 11 2HD TYR 11 -2.110 2.705 -1.514
43 HE1 TYR 11 1HE TYR 11 -0.828 4.163 -6.028
44 HE2 TYR 11 2HE TYR 11 -3.345 4.527 -2.606
45 HH TYR 11 HH TYR 11 -3.202 6.075 -4.321
46 H GLN 12 H GLN 12 0.785 -2.235 -3.064
47 HA GLN 12 HA GLN 12 0.484 -3.010 -0.248
48 HB2 GLN 12 2HB GLN 12 1.004 -5.268 -0.893
49 HB3 GLN 12 1HB GLN 12 -0.258 -4.665 -1.951
50 HG2 GLN 12 2HG GLN 12 1.261 -4.408 -3.757
51 HG3 GLN 12 1HG GLN 12 2.648 -4.696 -2.707
52 HE21 GLN 12 1HE2 GLN 12 1.815 -6.099 -5.135
53 HE22 GLN 12 2HE2 GLN 12 1.636 -7.761 -4.672
54 H CYS 13 H CYS 13 2.258 -3.603 0.999
55 HA CYS 13 HA CYS 13 4.814 -2.564 0.134
56 HB2 CYS 13 2HB CYS 13 5.574 -2.933 2.359
57 HB3 CYS 13 1HB CYS 13 3.901 -2.427 2.531
58 H LEU 14 H LEU 14 6.373 -3.727 -0.781
59 HA LEU 14 HA LEU 14 5.830 -6.374 -1.673
60 HB2 LEU 14 2HB LEU 14 8.194 -4.530 -1.886
61 HB3 LEU 14 1HB LEU 14 8.253 -6.162 -2.511
62 HG LEU 14 HG LEU 14 7.667 -4.142 -4.075
63 HD11 LEU 14 1HD1 LEU 14 6.142 -6.742 -4.132
64 HD12 LEU 14 2HD1 LEU 14 7.750 -6.462 -4.798
65 HD13 LEU 14 3HD1 LEU 14 6.351 -5.648 -5.500
66 HD21 LEU 14 3HD2 LEU 14 5.798 -3.275 -2.796
67 HD22 LEU 14 1HD2 LEU 14 4.960 -4.819 -2.953
68 HD23 LEU 14 2HD2 LEU 14 5.265 -3.834 -4.381
69 H ARG 15 H ARG 15 6.345 -5.738 1.303
70 HA ARG 15 HA ARG 15 8.539 -7.635 1.804
71 HB2 ARG 15 2HB ARG 15 7.400 -5.850 3.912
72 HB3 ARG 15 1HB ARG 15 9.041 -6.466 3.741
73 HG2 ARG 15 2HG ARG 15 7.832 -4.459 1.866
74 HG3 ARG 15 1HG ARG 15 8.733 -4.008 3.317
75 HD2 ARG 15 2HD ARG 15 9.867 -5.811 1.190
76 HD3 ARG 15 1HD ARG 15 10.050 -4.058 1.148
77 HE ARG 15 HE ARG 15 10.905 -4.884 3.654
78 HH11 ARG 15 1HH1 ARG 15 11.808 -5.596 0.340
79 HH12 ARG 15 2HH1 ARG 15 13.515 -5.654 0.684
80 HH21 ARG 15 1HH2 ARG 15 13.142 -4.954 4.113
81 HH22 ARG 15 2HH2 ARG 15 14.274 -5.286 2.833
82 H CYS 16 H CYS 16 5.435 -6.579 3.228
83 HA CYS 16 HA CYS 16 5.109 -9.264 4.370
84 HB2 CYS 16 2HB CYS 16 3.202 -6.997 4.877
85 HB3 CYS 16 1HB CYS 16 3.593 -8.361 5.912
86 H GLY 17 H GLY 17 4.135 -7.315 1.784
87 HA2 GLY 17 2HA GLY 17 2.669 -7.747 0.052
88 HA3 GLY 17 1HA GLY 17 2.131 -9.191 0.897
89 H LEU 18 H LEU 18 2.221 -6.149 2.567
90 HA LEU 18 HA LEU 18 -0.648 -6.421 3.017
91 HB2 LEU 18 2HB LEU 18 1.376 -4.529 4.213
92 HB3 LEU 18 1HB LEU 18 -0.316 -4.598 4.670
93 HG LEU 18 HG LEU 18 1.740 -6.772 5.060
94 HD11 LEU 18 1HD1 LEU 18 1.920 -4.939 6.648
95 HD12 LEU 18 2HD1 LEU 18 1.296 -6.387 7.437
96 HD13 LEU 18 3HD1 LEU 18 0.200 -5.071 7.016
97 HD21 LEU 18 3HD2 LEU 18 -0.038 -8.034 6.152
98 HD22 LEU 18 1HD2 LEU 18 -0.434 -7.726 4.462
99 HD23 LEU 18 2HD2 LEU 18 -1.201 -6.777 5.734
100 H THR 19 H THR 19 -2.156 -5.267 2.012
101 HA THR 19 HA THR 19 -1.221 -3.148 0.197
102 HB THR 19 HB THR 19 -3.920 -4.294 -0.186
103 HG1 THR 19 1HG THR 19 -1.624 -5.848 -0.059
104 HG21 THR 19 3HG2 THR 19 -3.145 -4.286 -2.543
105 HG22 THR 19 1HG2 THR 19 -1.592 -3.664 -1.996
106 HG23 THR 19 2HG2 THR 19 -3.055 -2.706 -1.770
107 H PHE 20 H PHE 20 -2.040 -1.151 0.311
108 HA PHE 20 HA PHE 20 -4.188 -0.633 2.271
109 HB2 PHE 20 2HB PHE 20 -2.016 1.335 1.570
110 HB3 PHE 20 1HB PHE 20 -3.093 1.348 2.965
111 HD1 PHE 20 2HD PHE 20 -2.670 -0.108 4.877
112 HD2 PHE 20 1HD PHE 20 -0.076 -0.040 1.505
113 HE1 PHE 20 2HE PHE 20 -0.950 -1.300 6.174
114 HE2 PHE 20 1HE PHE 20 1.631 -1.230 2.778
115 HZ PHE 20 HZ PHE 20 1.205 -1.864 5.126
116 H ARG 21 H ARG 21 -5.567 1.152 1.803
117 HA ARG 21 HA ARG 21 -6.063 1.341 -1.054
118 HB2 ARG 21 2HB ARG 21 -7.729 2.631 1.096
119 HB3 ARG 21 1HB ARG 21 -8.228 2.083 -0.500
120 HG2 ARG 21 2HG ARG 21 -7.760 -0.263 0.272
121 HG3 ARG 21 1HG ARG 21 -7.537 0.395 1.893
122 HD2 ARG 21 2HD ARG 21 -9.756 -0.234 1.948
123 HD3 ARG 21 1HD ARG 21 -9.876 1.463 1.481
124 HE ARG 21 HE ARG 21 -9.712 -0.214 -0.805
125 HH11 ARG 21 1HH1 ARG 21 -11.939 0.860 1.686
126 HH12 ARG 21 2HH1 ARG 21 -13.352 0.559 0.714
127 HH21 ARG 21 1HH2 ARG 21 -11.565 -0.607 -2.070
128 HH22 ARG 21 2HH2 ARG 21 -13.139 -0.301 -1.399
129 H THR 22 H THR 22 -4.331 3.102 1.190
130 HA THR 22 HA THR 22 -4.261 5.406 -0.614
131 HB THR 22 HB THR 22 -4.067 6.914 1.420
132 HG1 THR 22 1HG THR 22 -5.061 6.107 3.332
133 HG21 THR 22 3HG2 THR 22 -6.708 5.549 0.905
134 HG22 THR 22 1HG2 THR 22 -6.066 6.952 0.053
135 HG23 THR 22 2HG2 THR 22 -6.509 7.081 1.755
136 H LYS 23 H LYS 23 -2.291 6.552 -0.588
137 HA LYS 23 HA LYS 23 -0.018 4.912 -0.185
138 HB2 LYS 23 2HB LYS 23 -0.385 7.777 -0.985
139 HB3 LYS 23 1HB LYS 23 1.219 7.130 -0.676
140 HG2 LYS 23 2HG LYS 23 0.862 5.429 -2.400
141 HG3 LYS 23 1HG LYS 23 -0.740 6.102 -2.718
142 HD2 LYS 23 2HD LYS 23 0.188 8.154 -3.488
143 HD3 LYS 23 1HD LYS 23 1.800 7.707 -2.928
144 HE2 LYS 23 2HE LYS 23 1.878 5.905 -4.575
145 HE3 LYS 23 1HE LYS 23 0.256 6.325 -5.121
146 HZ1 LYS 23 3HZ LYS 23 2.067 7.220 -6.530
147 HZ2 LYS 23 1HZ LYS 23 2.569 8.183 -5.223
148 HZ3 LYS 23 2HZ LYS 23 1.033 8.417 -5.912
149 H LYS 24 H LYS 24 -1.567 7.319 1.799
150 HA LYS 24 HA LYS 24 0.587 7.976 3.471
151 HB2 LYS 24 2HB LYS 24 -1.536 9.184 3.501
152 HB3 LYS 24 1HB LYS 24 -2.346 7.776 4.173
153 HG2 LYS 24 2HG LYS 24 -0.964 7.950 6.182
154 HG3 LYS 24 1HG LYS 24 -0.164 9.368 5.503
155 HD2 LYS 24 2HD LYS 24 -2.363 10.503 5.407
156 HD3 LYS 24 1HD LYS 24 -3.086 9.103 6.201
157 HE2 LYS 24 2HE LYS 24 -2.633 10.843 7.824
158 HE3 LYS 24 1HE LYS 24 -1.600 9.448 8.127
159 HZ1 LYS 24 3HZ LYS 24 0.193 10.616 6.931
160 HZ2 LYS 24 1HZ LYS 24 -0.319 11.448 8.316
161 HZ3 LYS 24 2HZ LYS 24 -0.809 11.977 6.784
162 H GLN 25 H GLN 25 -1.872 5.439 3.830
163 HA GLN 25 HA GLN 25 -0.832 4.301 6.188
164 HB2 GLN 25 2HB GLN 25 -2.497 3.090 3.976
165 HB3 GLN 25 1HB GLN 25 -2.149 2.278 5.496
166 HG2 GLN 25 2HG GLN 25 -3.319 4.007 6.718
167 HG3 GLN 25 1HG GLN 25 -3.609 4.895 5.223
168 HE21 GLN 25 1HE2 GLN 25 -5.156 4.160 3.786
169 HE22 GLN 25 2HE2 GLN 25 -6.335 2.964 4.224
170 H LEU 26 H LEU 26 -0.170 3.801 2.795
171 HA LEU 26 HA LEU 26 1.424 1.486 3.019
172 HB2 LEU 26 2HB LEU 26 0.577 2.096 0.884
173 HB3 LEU 26 1HB LEU 26 1.282 3.698 0.987
174 HG LEU 26 HG LEU 26 3.547 2.456 1.034
175 HD11 LEU 26 1HD1 LEU 26 2.522 0.221 1.358
176 HD12 LEU 26 2HD1 LEU 26 3.610 0.314 -0.023
177 HD13 LEU 26 3HD1 LEU 26 1.864 0.330 -0.275
178 HD21 LEU 26 3HD2 LEU 26 2.748 3.898 -0.771
179 HD22 LEU 26 1HD2 LEU 26 1.886 2.532 -1.479
180 HD23 LEU 26 2HD2 LEU 26 3.650 2.515 -1.389
181 H ILE 27 H ILE 27 2.311 4.924 2.765
182 HA ILE 27 HA ILE 27 5.088 4.451 2.825
183 HB ILE 27 HB ILE 27 3.543 6.974 3.437
184 HG12 ILE 27 2HG1 ILE 27 5.030 6.093 0.947
185 HG13 ILE 27 1HG1 ILE 27 3.282 6.059 1.147
186 HG21 ILE 27 1HG2 ILE 27 6.499 6.607 2.953
187 HG22 ILE 27 2HG2 ILE 27 5.738 7.082 4.472
188 HG23 ILE 27 3HG2 ILE 27 5.668 8.156 3.074
189 HD11 ILE 27 3HD1 ILE 27 4.999 8.528 1.204
190 HD12 ILE 27 1HD1 ILE 27 3.241 8.477 1.351
191 HD13 ILE 27 2HD1 ILE 27 4.016 7.981 -0.154
192 H ARG 28 H ARG 28 2.791 5.365 5.393
193 HA ARG 28 HA ARG 28 4.762 5.691 7.377
194 HB2 ARG 28 2HB ARG 28 3.007 5.677 8.988
195 HB3 ARG 28 1HB ARG 28 2.404 6.496 7.558
196 HG2 ARG 28 2HG ARG 28 1.108 4.585 6.933
197 HG3 ARG 28 1HG ARG 28 1.830 3.619 8.224
198 HD2 ARG 28 2HD ARG 28 0.043 6.030 8.543
199 HD3 ARG 28 1HD ARG 28 -0.367 4.352 8.903
200 HE ARG 28 HE ARG 28 1.925 5.316 10.357
201 HH11 ARG 28 1HH1 ARG 28 -1.582 5.094 10.356
202 HH12 ARG 28 2HH1 ARG 28 -1.703 5.261 12.084
203 HH21 ARG 28 1HH2 ARG 28 1.752 5.539 12.604
204 HH22 ARG 28 2HH2 ARG 28 0.187 5.503 13.359
205 H HIS 29 H HIS 29 3.211 2.839 6.093
206 HA HIS 29 HA HIS 29 4.191 1.136 8.206
207 HB2 HIS 29 2HB HIS 29 2.113 0.485 7.216
208 HB3 HIS 29 1HB HIS 29 2.797 0.532 5.597
209 HD1 HIS 29 1HD HIS 29 3.659 -1.437 8.804
210 HD2 HIS 29 2HD HIS 29 3.204 -1.911 4.699
211 HE1 HIS 29 1HE HIS 29 4.168 -3.867 8.300
212 H LEU 30 H LEU 30 5.027 1.705 4.767
213 HA LEU 30 HA LEU 30 7.247 0.079 4.586
214 HB2 LEU 30 2HB LEU 30 6.667 2.776 3.415
215 HB3 LEU 30 1HB LEU 30 8.216 2.009 3.146
216 HG LEU 30 HG LEU 30 5.510 1.056 2.214
217 HD11 LEU 30 1HD1 LEU 30 8.036 1.760 0.755
218 HD12 LEU 30 2HD1 LEU 30 6.571 2.741 0.841
219 HD13 LEU 30 3HD1 LEU 30 6.543 1.179 0.021
220 HD21 LEU 30 3HD2 LEU 30 6.742 -0.866 1.228
221 HD22 LEU 30 1HD2 LEU 30 6.617 -0.910 2.987
222 HD23 LEU 30 2HD2 LEU 30 8.128 -0.419 2.223
223 H VAL 31 H VAL 31 7.093 3.370 5.907
224 HA VAL 31 HA VAL 31 9.811 3.514 6.665
225 HB VAL 31 HB VAL 31 7.417 4.994 7.774
226 HG11 VAL 31 1HG1 VAL 31 9.036 6.641 8.606
227 HG12 VAL 31 2HG1 VAL 31 10.357 5.592 8.090
228 HG13 VAL 31 3HG1 VAL 31 9.259 5.064 9.364
229 HG21 VAL 31 3HG2 VAL 31 7.805 5.353 5.381
230 HG22 VAL 31 1HG2 VAL 31 9.464 5.834 5.727
231 HG23 VAL 31 2HG2 VAL 31 8.121 6.813 6.320
232 H ASN 32 H ASN 32 6.886 2.636 8.483
233 HA ASN 32 HA ASN 32 8.128 2.498 11.005
234 HB2 ASN 32 2HB ASN 32 5.720 2.766 10.782
235 HB3 ASN 32 1HB ASN 32 5.587 1.176 10.038
236 HD21 ASN 32 1HD2 ASN 32 5.662 -0.646 11.311
237 HD22 ASN 32 2HD2 ASN 32 5.619 -0.585 13.040
238 H THR 33 H THR 33 7.092 -0.192 8.883
239 HA THR 33 HA THR 33 8.365 -2.010 10.778
240 HB THR 33 HB THR 33 6.618 -2.713 8.425
241 HG1 THR 33 1HG THR 33 5.395 -2.929 10.828
242 HG21 THR 33 3HG2 THR 33 6.221 -4.782 9.711
243 HG22 THR 33 1HG2 THR 33 7.378 -4.234 10.923
244 HG23 THR 33 2HG2 THR 33 7.920 -4.582 9.281
245 H GLU 34 H GLU 34 8.469 -1.203 7.325
246 HA GLU 34 HA GLU 34 10.460 -3.275 6.874
247 HB2 GLU 34 2HB GLU 34 10.063 -1.642 4.562
248 HB3 GLU 34 1HB GLU 34 9.650 -3.331 4.798
249 HG2 GLU 34 2HG GLU 34 7.848 -1.184 5.815
250 HG3 GLU 34 1HG GLU 34 7.863 -1.612 4.111
251 H LYS 35 H LYS 35 10.618 -0.328 8.112
252 HA LYS 35 HA LYS 35 12.093 1.361 8.323
253 HB2 LYS 35 2HB LYS 35 14.397 0.789 8.570
254 HB3 LYS 35 1HB LYS 35 13.437 -0.546 9.181
255 HG2 LYS 35 2HG LYS 35 13.903 -1.853 7.225
256 HG3 LYS 35 1HG LYS 35 14.714 -0.490 6.452
257 HD2 LYS 35 2HD LYS 35 16.425 -0.524 8.206
258 HD3 LYS 35 1HD LYS 35 15.604 -1.882 8.977
259 HE2 LYS 35 2HE LYS 35 17.474 -2.685 7.668
260 HE3 LYS 35 1HE LYS 35 15.956 -3.225 6.951
261 HZ1 LYS 35 3HZ LYS 35 17.542 -2.423 5.291
262 HZ2 LYS 35 1HZ LYS 35 17.544 -0.892 6.017
263 HZ3 LYS 35 2HZ LYS 35 16.129 -1.494 5.297
264 H VAL 36 H VAL 36 10.905 1.182 5.742
265 HA VAL 36 HA VAL 36 13.027 1.953 3.898
266 HB VAL 36 HB VAL 36 10.059 1.565 3.463
267 HG11 VAL 36 1HG1 VAL 36 10.569 1.732 1.077
268 HG12 VAL 36 2HG1 VAL 36 12.245 2.122 1.464
269 HG13 VAL 36 3HG1 VAL 36 10.953 3.227 1.929
270 HG21 VAL 36 3HG2 VAL 36 10.745 -0.433 2.226
271 HG22 VAL 36 1HG2 VAL 36 11.249 -0.510 3.915
272 HG23 VAL 36 2HG2 VAL 36 12.426 -0.122 2.661
273 H ASN 37 H ASN 37 13.550 4.021 3.613
274 HA ASN 37 HA ASN 37 11.993 6.142 4.764
275 HB2 ASN 37 2HB ASN 37 14.456 6.162 3.005
276 HB3 ASN 37 1HB ASN 37 13.728 7.608 3.695
277 HD21 ASN 37 1HD2 ASN 37 13.032 6.264 6.195
278 HD22 ASN 37 2HD2 ASN 37 14.513 6.084 7.065
279 HA PRO 38 HA PRO 38 9.136 6.958 1.605
280 HB2 PRO 38 2HB PRO 38 9.162 9.729 1.597
281 HB3 PRO 38 1HB PRO 38 8.250 8.716 2.719
282 HG2 PRO 38 2HG PRO 38 10.896 10.052 3.089
283 HG3 PRO 38 1HG PRO 38 9.557 9.874 4.238
284 HD2 PRO 38 2HD PRO 38 11.727 8.330 4.408
285 HD3 PRO 38 1HD PRO 38 10.108 7.674 4.730
286 H LEU 39 H LEU 39 12.333 8.336 1.236
287 HA LEU 39 HA LEU 39 11.833 9.057 -1.526
288 HB2 LEU 39 2HB LEU 39 14.375 9.043 0.095
289 HB3 LEU 39 1HB LEU 39 14.243 9.637 -1.550
290 HG LEU 39 HG LEU 39 12.688 10.772 0.771
291 HD11 LEU 39 1HD1 LEU 39 14.269 12.611 0.739
292 HD12 LEU 39 2HD1 LEU 39 15.206 11.806 -0.520
293 HD13 LEU 39 3HD1 LEU 39 15.089 11.088 1.088
294 HD21 LEU 39 3HD2 LEU 39 11.664 11.115 -1.423
295 HD22 LEU 39 1HD2 LEU 39 13.172 11.801 -2.024
296 HD23 LEU 39 2HD2 LEU 39 12.269 12.632 -0.757
297 H SER 40 H SER 40 12.365 6.183 0.014
298 HA SER 40 HA SER 40 13.602 5.020 -2.399
299 HB2 SER 40 2HB SER 40 13.977 4.155 0.478
300 HB3 SER 40 1HB SER 40 14.630 3.312 -0.927
301 HG SER 40 HG SER 40 16.139 4.778 -1.131
302 H ILE 41 H ILE 41 10.729 5.366 -1.383
303 HA ILE 41 HA ILE 41 9.814 2.803 -0.557
304 HB ILE 41 HB ILE 41 7.535 3.704 -0.996
305 HG12 ILE 41 2HG1 ILE 41 9.037 6.207 -1.802
306 HG13 ILE 41 1HG1 ILE 41 8.127 5.169 -2.897
307 HG21 ILE 41 1HG2 ILE 41 7.619 5.419 0.759
308 HG22 ILE 41 2HG2 ILE 41 9.379 5.455 0.621
309 HG23 ILE 41 3HG2 ILE 41 8.566 3.988 1.170
310 HD11 ILE 41 3HD1 ILE 41 7.003 6.785 -0.618
311 HD12 ILE 41 1HD1 ILE 41 6.075 5.707 -1.661
312 HD13 ILE 41 2HD1 ILE 41 6.849 7.137 -2.339
313 H ASP 42 H ASP 42 10.520 4.119 -3.641
314 HA ASP 42 HA ASP 42 8.442 3.128 -5.203
315 HB2 ASP 42 2HB ASP 42 9.810 3.575 -7.124
316 HB3 ASP 42 1HB ASP 42 10.084 4.839 -5.933
317 H TYR 43 H TYR 43 11.178 1.392 -3.941
318 HA TYR 43 HA TYR 43 10.735 -0.812 -5.794
319 HB2 TYR 43 2HB TYR 43 12.832 -0.219 -3.747
320 HB3 TYR 43 1HB TYR 43 12.609 -1.870 -4.320
321 HD1 TYR 43 2HD TYR 43 12.468 -2.071 -6.965
322 HD2 TYR 43 1HD TYR 43 14.365 1.104 -4.866
323 HE1 TYR 43 2HE TYR 43 13.829 -1.582 -8.950
324 HE2 TYR 43 1HE TYR 43 15.733 1.602 -6.851
325 HH TYR 43 HH TYR 43 15.048 0.285 -9.919
326 H TYR 44 H TYR 44 9.680 0.115 -2.681
327 HA TYR 44 HA TYR 44 9.237 -2.701 -1.944
328 HB2 TYR 44 2HB TYR 44 9.300 -0.330 -0.063
329 HB3 TYR 44 1HB TYR 44 9.296 -2.046 0.362
330 HD1 TYR 44 2HD TYR 44 11.260 -3.455 -0.089
331 HD2 TYR 44 1HD TYR 44 11.325 0.735 -0.771
332 HE1 TYR 44 2HE TYR 44 13.706 -3.529 -0.259
333 HE2 TYR 44 1HE TYR 44 13.763 0.675 -0.964
334 HH TYR 44 HH TYR 44 15.660 -0.881 -0.088
335 H TYR 45 H TYR 45 7.650 -0.243 -3.276
336 HA TYR 45 HA TYR 45 5.132 -1.333 -2.235
337 HB2 TYR 45 2HB TYR 45 4.154 0.708 -1.875
338 HB3 TYR 45 1HB TYR 45 5.818 1.143 -1.545
339 HD1 TYR 45 2HD TYR 45 3.104 1.369 -4.048
340 HD2 TYR 45 1HD TYR 45 6.973 2.718 -2.904
341 HE1 TYR 45 2HE TYR 45 2.960 3.172 -5.719
342 HE2 TYR 45 1HE TYR 45 6.841 4.524 -4.565
343 HH TYR 45 HH TYR 45 5.701 5.118 -6.560
344 H GLN 46 H GLN 46 3.494 -1.612 -3.719
345 HA GLN 46 HA GLN 46 4.154 -1.060 -6.534
346 HB2 GLN 46 2HB GLN 46 4.571 -3.449 -6.001
347 HB3 GLN 46 1HB GLN 46 2.903 -3.601 -5.465
348 HG2 GLN 46 2HG GLN 46 2.199 -2.932 -7.772
349 HG3 GLN 46 1HG GLN 46 3.893 -3.056 -8.247
350 HE21 GLN 46 1HE2 GLN 46 3.483 -4.723 -9.694
351 HE22 GLN 46 2HE2 GLN 46 3.105 -6.325 -9.165
352 H SER 47 H SER 47 2.494 -0.258 -7.723
353 HA SER 47 HA SER 47 0.003 0.268 -6.292
354 HB2 SER 47 2HB SER 47 0.898 1.286 -8.997
355 HB3 SER 47 1HB SER 47 -0.448 1.893 -8.031
356 HG SER 47 HG SER 47 2.063 1.841 -6.830
357 H PHE 48 H PHE 48 -1.797 -0.869 -6.651
358 HA PHE 48 HA PHE 48 -2.088 -2.289 -9.209
359 HB2 PHE 48 2HB PHE 48 -1.239 -3.900 -7.545
360 HB3 PHE 48 1HB PHE 48 -2.575 -3.499 -6.475
361 HD1 PHE 48 1HD PHE 48 -1.807 -4.886 -9.829
362 HD2 PHE 48 2HD PHE 48 -4.583 -4.661 -6.611
363 HE1 PHE 48 1HE PHE 48 -3.166 -6.638 -10.885
364 HE2 PHE 48 2HE PHE 48 -5.950 -6.416 -7.664
365 HZ PHE 48 HZ PHE 48 -5.243 -7.405 -9.805
366 H SER 49 H SER 49 -4.143 -2.289 -10.015
367 HA SER 49 HA SER 49 -6.084 -0.694 -8.515
368 HB2 SER 49 2HB SER 49 -6.156 -1.523 -11.426
369 HB3 SER 49 1HB SER 49 -7.179 -0.318 -10.641
370 HG SER 49 HG SER 49 -4.349 -0.171 -10.915
371 H VAL 50 H VAL 50 -7.868 -1.558 -7.670
372 HA VAL 50 HA VAL 50 -8.647 -4.263 -8.536
373 HB VAL 50 HB VAL 50 -7.449 -4.376 -6.380
374 HG11 VAL 50 1HG1 VAL 50 -9.666 -2.614 -5.351
375 HG12 VAL 50 2HG1 VAL 50 -7.960 -2.189 -5.489
376 HG13 VAL 50 3HG1 VAL 50 -8.468 -3.437 -4.352
377 HG21 VAL 50 3HG2 VAL 50 -9.158 -6.029 -6.861
378 HG22 VAL 50 1HG2 VAL 50 -10.394 -4.981 -6.169
379 HG23 VAL 50 2HG2 VAL 50 -9.132 -5.655 -5.139
380 H SER 51 H SER 51 -10.887 -4.734 -8.386
381 HA SER 51 HA SER 51 -12.532 -2.323 -8.547
382 HB2 SER 51 2HB SER 51 -13.209 -5.140 -9.432
383 HB3 SER 51 1HB SER 51 -14.087 -3.663 -9.833
384 HG SER 51 HG SER 51 -11.491 -3.401 -10.520
Start of MODEL 2
1 HA MET 7 HA MET 7 -10.793 0.406 -10.490
2 HB2 MET 7 2HB MET 7 -12.396 2.036 -11.639
3 HB3 MET 7 1HB MET 7 -11.940 3.201 -10.405
4 HG2 MET 7 2HG MET 7 -9.564 2.905 -11.129
5 HG3 MET 7 1HG MET 7 -10.165 1.936 -12.473
6 HE1 MET 7 2HE MET 7 -11.586 5.190 -10.760
7 HE2 MET 7 3HE MET 7 -11.003 6.434 -11.865
8 HE3 MET 7 1HE MET 7 -9.857 5.503 -10.902
9 H GLU 8 H GLU 8 -11.374 0.415 -7.539
10 HA GLU 8 HA GLU 8 -9.926 2.589 -6.400
11 HB2 GLU 8 2HB GLU 8 -11.581 1.292 -5.120
12 HB3 GLU 8 1HB GLU 8 -10.567 -0.138 -5.252
13 HG2 GLU 8 2HG GLU 8 -10.331 0.850 -3.069
14 HG3 GLU 8 1HG GLU 8 -8.817 0.991 -3.961
15 H ARG 9 H ARG 9 -7.822 2.676 -5.699
16 HA ARG 9 HA ARG 9 -6.043 0.678 -6.906
17 HB2 ARG 9 2HB ARG 9 -4.352 2.307 -7.113
18 HB3 ARG 9 1HB ARG 9 -5.826 3.115 -7.611
19 HG2 ARG 9 2HG ARG 9 -4.759 3.375 -4.819
20 HG3 ARG 9 1HG ARG 9 -4.184 4.396 -6.134
21 HD2 ARG 9 2HD ARG 9 -7.007 4.188 -5.101
22 HD3 ARG 9 1HD ARG 9 -5.911 5.549 -4.922
23 HE ARG 9 HE ARG 9 -6.012 5.449 -7.540
24 HH11 ARG 9 1HH1 ARG 9 -8.676 4.943 -5.304
25 HH12 ARG 9 2HH1 ARG 9 -9.850 5.670 -6.361
26 HH21 ARG 9 1HH2 ARG 9 -7.588 6.343 -8.947
27 HH22 ARG 9 2HH2 ARG 9 -9.237 6.472 -8.408
28 H VAL 10 H VAL 10 -4.571 -0.410 -5.710
29 HA VAL 10 HA VAL 10 -4.490 0.218 -2.840
30 HB VAL 10 HB VAL 10 -4.078 -2.355 -2.598
31 HG11 VAL 10 1HG1 VAL 10 -6.428 -2.692 -2.139
32 HG12 VAL 10 2HG1 VAL 10 -6.846 -1.274 -3.104
33 HG13 VAL 10 3HG1 VAL 10 -5.932 -1.085 -1.607
34 HG21 VAL 10 3HG2 VAL 10 -5.402 -3.688 -4.173
35 HG22 VAL 10 1HG2 VAL 10 -4.062 -2.869 -4.977
36 HG23 VAL 10 2HG2 VAL 10 -5.702 -2.243 -5.139
37 H TYR 11 H TYR 11 -2.576 -0.027 -1.790
38 HA TYR 11 HA TYR 11 -0.212 -0.371 -3.514
39 HB2 TYR 11 2HB TYR 11 -0.476 1.076 -0.864
40 HB3 TYR 11 1HB TYR 11 0.981 0.983 -1.842
41 HD1 TYR 11 1HD TYR 11 -2.423 2.413 -1.658
42 HD2 TYR 11 2HD TYR 11 1.322 2.460 -3.682
43 HE1 TYR 11 1HE TYR 11 -3.072 4.492 -2.799
44 HE2 TYR 11 2HE TYR 11 0.678 4.537 -4.826
45 HH TYR 11 HH TYR 11 -1.327 5.746 -5.454
46 H GLN 12 H GLN 12 0.767 -2.278 -3.238
47 HA GLN 12 HA GLN 12 0.515 -3.672 -0.677
48 HB2 GLN 12 2HB GLN 12 1.171 -4.492 -3.460
49 HB3 GLN 12 1HB GLN 12 1.833 -5.452 -2.147
50 HG2 GLN 12 2HG GLN 12 -0.547 -5.624 -1.307
51 HG3 GLN 12 1HG GLN 12 -1.030 -4.967 -2.865
52 HE21 GLN 12 1HE2 GLN 12 1.177 -6.311 -4.259
53 HE22 GLN 12 2HE2 GLN 12 0.713 -7.975 -4.377
54 H CYS 13 H CYS 13 2.137 -3.651 0.753
55 HA CYS 13 HA CYS 13 4.780 -2.785 0.010
56 HB2 CYS 13 2HB CYS 13 5.322 -2.915 2.281
57 HB3 CYS 13 1HB CYS 13 3.586 -2.672 2.364
58 H LEU 14 H LEU 14 6.289 -4.070 -0.904
59 HA LEU 14 HA LEU 14 5.552 -6.746 -1.613
60 HB2 LEU 14 2HB LEU 14 8.133 -5.245 -2.051
61 HB3 LEU 14 1HB LEU 14 7.721 -6.779 -2.794
62 HG LEU 14 HG LEU 14 6.262 -4.173 -3.225
63 HD11 LEU 14 1HD1 LEU 14 8.464 -4.179 -4.251
64 HD12 LEU 14 2HD1 LEU 14 7.201 -4.281 -5.479
65 HD13 LEU 14 3HD1 LEU 14 8.112 -5.723 -5.027
66 HD21 LEU 14 3HD2 LEU 14 5.885 -6.877 -4.504
67 HD22 LEU 14 1HD2 LEU 14 5.057 -5.392 -4.974
68 HD23 LEU 14 2HD2 LEU 14 4.774 -6.094 -3.381
69 H ARG 15 H ARG 15 6.364 -5.875 1.276
70 HA ARG 15 HA ARG 15 8.489 -7.856 1.705
71 HB2 ARG 15 2HB ARG 15 7.552 -5.994 3.839
72 HB3 ARG 15 1HB ARG 15 9.162 -6.644 3.553
73 HG2 ARG 15 2HG ARG 15 7.784 -4.530 1.914
74 HG3 ARG 15 1HG ARG 15 9.055 -4.244 3.109
75 HD2 ARG 15 2HD ARG 15 9.325 -5.827 0.550
76 HD3 ARG 15 1HD ARG 15 9.966 -4.212 0.842
77 HE ARG 15 HE ARG 15 11.031 -5.855 2.809
78 HH11 ARG 15 1HH1 ARG 15 11.124 -5.631 -0.700
79 HH12 ARG 15 2HH1 ARG 15 12.700 -6.351 -0.824
80 HH21 ARG 15 1HH2 ARG 15 13.124 -6.754 2.639
81 HH22 ARG 15 2HH2 ARG 15 13.834 -6.975 1.067
82 H CYS 16 H CYS 16 5.422 -6.740 3.154
83 HA CYS 16 HA CYS 16 5.124 -9.393 4.394
84 HB2 CYS 16 2HB CYS 16 3.300 -7.123 5.069
85 HB3 CYS 16 1HB CYS 16 3.859 -8.444 6.085
86 H GLY 17 H GLY 17 4.106 -7.512 1.821
87 HA2 GLY 17 2HA GLY 17 2.532 -7.907 0.186
88 HA3 GLY 17 1HA GLY 17 1.993 -9.314 1.091
89 H LEU 18 H LEU 18 2.219 -6.177 2.605
90 HA LEU 18 HA LEU 18 -0.634 -6.385 3.186
91 HB2 LEU 18 2HB LEU 18 1.498 -4.518 4.216
92 HB3 LEU 18 1HB LEU 18 -0.194 -4.386 4.660
93 HG LEU 18 HG LEU 18 1.625 -6.726 5.242
94 HD11 LEU 18 1HD1 LEU 18 1.317 -6.073 7.570
95 HD12 LEU 18 2HD1 LEU 18 0.337 -4.698 7.062
96 HD13 LEU 18 3HD1 LEU 18 2.047 -4.768 6.636
97 HD21 LEU 18 3HD2 LEU 18 -1.275 -6.311 5.969
98 HD22 LEU 18 1HD2 LEU 18 -0.262 -7.668 6.459
99 HD23 LEU 18 2HD2 LEU 18 -0.673 -7.444 4.759
100 H THR 19 H THR 19 -2.201 -5.191 2.301
101 HA THR 19 HA THR 19 -1.358 -3.214 0.281
102 HB THR 19 HB THR 19 -4.106 -4.283 0.141
103 HG1 THR 19 1HG THR 19 -2.082 -5.978 0.538
104 HG21 THR 19 3HG2 THR 19 -3.137 -2.818 -1.576
105 HG22 THR 19 1HG2 THR 19 -3.554 -4.400 -2.238
106 HG23 THR 19 2HG2 THR 19 -1.869 -4.011 -1.877
107 H PHE 20 H PHE 20 -2.139 -1.193 0.325
108 HA PHE 20 HA PHE 20 -4.273 -0.541 2.257
109 HB2 PHE 20 2HB PHE 20 -2.057 1.381 1.574
110 HB3 PHE 20 1HB PHE 20 -3.139 1.399 2.963
111 HD1 PHE 20 2HD PHE 20 -2.710 -0.022 4.890
112 HD2 PHE 20 1HD PHE 20 -0.115 0.002 1.523
113 HE1 PHE 20 2HE PHE 20 -0.991 -1.188 6.209
114 HE2 PHE 20 1HE PHE 20 1.599 -1.163 2.822
115 HZ PHE 20 HZ PHE 20 1.171 -1.763 5.173
116 H ARG 21 H ARG 21 -5.716 1.089 1.589
117 HA ARG 21 HA ARG 21 -5.710 1.558 -1.305
118 HB2 ARG 21 2HB ARG 21 -8.030 2.304 -0.996
119 HB3 ARG 21 1HB ARG 21 -7.774 0.691 -0.346
120 HG2 ARG 21 2HG ARG 21 -7.723 1.544 1.895
121 HG3 ARG 21 1HG ARG 21 -7.804 3.205 1.302
122 HD2 ARG 21 2HD ARG 21 -9.927 1.091 0.966
123 HD3 ARG 21 1HD ARG 21 -9.979 2.445 2.094
124 HE ARG 21 HE ARG 21 -10.019 2.728 -0.846
125 HH11 ARG 21 1HH1 ARG 21 -10.902 3.839 2.364
126 HH12 ARG 21 2HH1 ARG 21 -11.881 5.144 1.763
127 HH21 ARG 21 1HH2 ARG 21 -11.288 4.421 -1.617
128 HH22 ARG 21 2HH2 ARG 21 -12.095 5.486 -0.497
129 H THR 22 H THR 22 -4.308 2.973 1.152
130 HA THR 22 HA THR 22 -4.508 5.624 -0.052
131 HB THR 22 HB THR 22 -5.923 5.968 1.796
132 HG1 THR 22 1HG THR 22 -4.624 7.665 1.955
133 HG21 THR 22 3HG2 THR 22 -5.543 3.895 2.986
134 HG22 THR 22 1HG2 THR 22 -5.384 5.258 4.095
135 HG23 THR 22 2HG2 THR 22 -3.944 4.443 3.486
136 H LYS 23 H LYS 23 -2.614 6.607 -0.291
137 HA LYS 23 HA LYS 23 -0.266 5.041 -0.057
138 HB2 LYS 23 2HB LYS 23 -0.659 6.673 -1.868
139 HB3 LYS 23 1HB LYS 23 -0.536 7.983 -0.702
140 HG2 LYS 23 2HG LYS 23 1.774 7.485 -0.296
141 HG3 LYS 23 1HG LYS 23 1.679 6.034 -1.294
142 HD2 LYS 23 2HD LYS 23 2.749 7.874 -2.501
143 HD3 LYS 23 1HD LYS 23 1.230 7.403 -3.264
144 HE2 LYS 23 2HE LYS 23 0.110 9.283 -2.127
145 HE3 LYS 23 1HE LYS 23 1.660 9.765 -1.438
146 HZ1 LYS 23 3HZ LYS 23 1.045 11.034 -3.435
147 HZ2 LYS 23 1HZ LYS 23 1.088 9.608 -4.354
148 HZ3 LYS 23 2HZ LYS 23 2.507 10.198 -3.630
149 H LYS 24 H LYS 24 -1.722 7.374 2.058
150 HA LYS 24 HA LYS 24 0.634 8.095 3.469
151 HB2 LYS 24 2HB LYS 24 -2.292 8.292 4.077
152 HB3 LYS 24 1HB LYS 24 -1.110 8.622 5.337
153 HG2 LYS 24 2HG LYS 24 -0.081 10.324 3.870
154 HG3 LYS 24 1HG LYS 24 -1.365 10.041 2.694
155 HD2 LYS 24 2HD LYS 24 -3.024 10.846 4.179
156 HD3 LYS 24 1HD LYS 24 -1.906 10.839 5.545
157 HE2 LYS 24 2HE LYS 24 -1.644 12.579 3.097
158 HE3 LYS 24 1HE LYS 24 -2.317 13.107 4.638
159 HZ1 LYS 24 3HZ LYS 24 0.453 12.101 4.245
160 HZ2 LYS 24 1HZ LYS 24 -0.200 12.693 5.692
161 HZ3 LYS 24 2HZ LYS 24 0.024 13.735 4.372
162 H GLN 25 H GLN 25 -1.824 5.606 4.016
163 HA GLN 25 HA GLN 25 -0.611 4.580 6.370
164 HB2 GLN 25 2HB GLN 25 -2.573 3.394 4.412
165 HB3 GLN 25 1HB GLN 25 -2.021 2.533 5.842
166 HG2 GLN 25 2HG GLN 25 -3.347 5.230 5.926
167 HG3 GLN 25 1HG GLN 25 -4.212 3.703 6.090
168 HE21 GLN 25 1HE2 GLN 25 -2.116 2.397 7.570
169 HE22 GLN 25 2HE2 GLN 25 -2.125 3.078 9.161
170 H LEU 26 H LEU 26 -0.109 4.094 2.965
171 HA LEU 26 HA LEU 26 1.473 1.757 3.093
172 HB2 LEU 26 2HB LEU 26 0.600 2.499 0.979
173 HB3 LEU 26 1HB LEU 26 1.404 4.051 1.130
174 HG LEU 26 HG LEU 26 3.591 2.690 1.112
175 HD11 LEU 26 1HD1 LEU 26 2.553 0.497 1.424
176 HD12 LEU 26 2HD1 LEU 26 3.501 0.578 -0.059
177 HD13 LEU 26 3HD1 LEU 26 1.742 0.667 -0.133
178 HD21 LEU 26 3HD2 LEU 26 1.882 2.919 -1.354
179 HD22 LEU 26 1HD2 LEU 26 3.633 2.693 -1.336
180 HD23 LEU 26 2HD2 LEU 26 2.927 4.169 -0.680
181 H ILE 27 H ILE 27 2.341 5.203 2.951
182 HA ILE 27 HA ILE 27 5.115 4.839 3.110
183 HB ILE 27 HB ILE 27 3.449 7.224 3.928
184 HG12 ILE 27 2HG1 ILE 27 4.998 6.614 1.398
185 HG13 ILE 27 1HG1 ILE 27 3.245 6.600 1.561
186 HG21 ILE 27 1HG2 ILE 27 6.429 7.044 3.477
187 HG22 ILE 27 2HG2 ILE 27 5.623 7.311 5.023
188 HG23 ILE 27 3HG2 ILE 27 5.519 8.530 3.754
189 HD11 ILE 27 3HD1 ILE 27 3.288 9.000 2.049
190 HD12 ILE 27 1HD1 ILE 27 3.990 8.626 0.475
191 HD13 ILE 27 2HD1 ILE 27 5.039 8.999 1.843
192 H ARG 28 H ARG 28 2.700 5.379 5.644
193 HA ARG 28 HA ARG 28 4.385 5.580 7.847
194 HB2 ARG 28 2HB ARG 28 1.640 4.365 7.575
195 HB3 ARG 28 1HB ARG 28 2.450 4.543 9.125
196 HG2 ARG 28 2HG ARG 28 2.516 6.945 8.847
197 HG3 ARG 28 1HG ARG 28 1.783 6.796 7.248
198 HD2 ARG 28 2HD ARG 28 -0.251 5.966 8.173
199 HD3 ARG 28 1HD ARG 28 0.479 5.802 9.770
200 HE ARG 28 HE ARG 28 0.421 8.490 8.665
201 HH11 ARG 28 1HH1 ARG 28 -1.160 6.107 10.679
202 HH12 ARG 28 2HH1 ARG 28 -2.007 7.279 11.633
203 HH21 ARG 28 1HH2 ARG 28 -0.703 10.034 9.891
204 HH22 ARG 28 2HH2 ARG 28 -1.748 9.524 11.187
205 H HIS 29 H HIS 29 2.945 2.665 6.430
206 HA HIS 29 HA HIS 29 4.201 0.895 8.256
207 HB2 HIS 29 2HB HIS 29 2.128 0.295 7.145
208 HB3 HIS 29 1HB HIS 29 2.901 0.411 5.571
209 HD1 HIS 29 1HD HIS 29 3.836 -1.571 8.725
210 HD2 HIS 29 2HD HIS 29 3.197 -2.041 4.646
211 HE1 HIS 29 1HE HIS 29 4.345 -4.002 8.189
212 H LEU 30 H LEU 30 4.893 1.745 4.871
213 HA LEU 30 HA LEU 30 7.146 0.257 4.422
214 HB2 LEU 30 2HB LEU 30 6.117 2.840 3.426
215 HB3 LEU 30 1HB LEU 30 7.804 2.493 3.101
216 HG LEU 30 HG LEU 30 6.063 1.849 1.312
217 HD11 LEU 30 1HD1 LEU 30 8.001 -0.238 2.307
218 HD12 LEU 30 2HD1 LEU 30 8.411 1.137 1.283
219 HD13 LEU 30 3HD1 LEU 30 7.336 -0.124 0.679
220 HD21 LEU 30 3HD2 LEU 30 5.668 -0.431 3.248
221 HD22 LEU 30 1HD2 LEU 30 5.072 -0.374 1.589
222 HD23 LEU 30 2HD2 LEU 30 4.457 0.765 2.788
223 H VAL 31 H VAL 31 7.081 3.523 5.873
224 HA VAL 31 HA VAL 31 9.924 3.599 6.140
225 HB VAL 31 HB VAL 31 7.842 5.355 7.450
226 HG11 VAL 31 1HG1 VAL 31 9.677 6.959 7.742
227 HG12 VAL 31 2HG1 VAL 31 10.812 5.765 7.115
228 HG13 VAL 31 3HG1 VAL 31 9.964 5.463 8.631
229 HG21 VAL 31 3HG2 VAL 31 8.382 6.948 5.663
230 HG22 VAL 31 1HG2 VAL 31 7.723 5.442 5.023
231 HG23 VAL 31 2HG2 VAL 31 9.457 5.754 4.936
232 H ASN 32 H ASN 32 7.265 2.915 8.355
233 HA ASN 32 HA ASN 32 8.999 2.933 10.651
234 HB2 ASN 32 2HB ASN 32 6.650 3.706 10.771
235 HB3 ASN 32 1HB ASN 32 6.113 2.062 10.442
236 HD21 ASN 32 1HD2 ASN 32 6.247 0.519 12.048
237 HD22 ASN 32 2HD2 ASN 32 6.587 0.911 13.698
238 H THR 33 H THR 33 7.232 0.423 8.829
239 HA THR 33 HA THR 33 8.347 -1.577 10.641
240 HB THR 33 HB THR 33 6.293 -1.988 8.465
241 HG1 THR 33 1HG THR 33 5.880 -1.660 11.282
242 HG21 THR 33 3HG2 THR 33 7.056 -3.660 10.867
243 HG22 THR 33 1HG2 THR 33 7.422 -4.042 9.185
244 HG23 THR 33 2HG2 THR 33 5.748 -4.017 9.741
245 H GLU 34 H GLU 34 8.280 -0.839 7.146
246 HA GLU 34 HA GLU 34 9.987 -3.121 6.584
247 HB2 GLU 34 2HB GLU 34 9.643 -1.033 4.512
248 HB3 GLU 34 1HB GLU 34 9.560 -2.779 4.370
249 HG2 GLU 34 2HG GLU 34 7.388 -1.144 5.630
250 HG3 GLU 34 1HG GLU 34 7.454 -1.495 3.907
251 H LYS 35 H LYS 35 10.547 -0.297 7.981
252 HA LYS 35 HA LYS 35 12.145 1.275 8.171
253 HB2 LYS 35 2HB LYS 35 14.416 0.506 8.376
254 HB3 LYS 35 1HB LYS 35 13.332 -0.683 9.079
255 HG2 LYS 35 2HG LYS 35 13.720 -2.221 7.381
256 HG3 LYS 35 1HG LYS 35 14.326 -0.989 6.273
257 HD2 LYS 35 2HD LYS 35 15.714 -1.899 8.794
258 HD3 LYS 35 1HD LYS 35 16.118 -2.433 7.159
259 HE2 LYS 35 2HE LYS 35 16.556 -0.062 6.554
260 HE3 LYS 35 1HE LYS 35 16.281 0.382 8.237
261 HZ1 LYS 35 3HZ LYS 35 18.420 -1.405 7.213
262 HZ2 LYS 35 1HZ LYS 35 18.131 -1.087 8.853
263 HZ3 LYS 35 2HZ LYS 35 18.620 0.166 7.821
264 H VAL 36 H VAL 36 10.953 1.204 5.588
265 HA VAL 36 HA VAL 36 13.197 2.039 3.878
266 HB VAL 36 HB VAL 36 10.392 1.203 3.121
267 HG11 VAL 36 1HG1 VAL 36 11.222 2.974 1.668
268 HG12 VAL 36 2HG1 VAL 36 11.128 1.434 0.812
269 HG13 VAL 36 3HG1 VAL 36 12.688 2.043 1.365
270 HG21 VAL 36 3HG2 VAL 36 13.061 -0.116 2.630
271 HG22 VAL 36 1HG2 VAL 36 11.505 -0.687 2.031
272 HG23 VAL 36 2HG2 VAL 36 11.827 -0.665 3.765
273 H ASN 37 H ASN 37 13.504 4.152 3.978
274 HA ASN 37 HA ASN 37 11.552 5.994 4.886
275 HB2 ASN 37 2HB ASN 37 14.208 6.439 3.513
276 HB3 ASN 37 1HB ASN 37 13.218 7.732 4.177
277 HD21 ASN 37 1HD2 ASN 37 14.641 8.390 5.703
278 HD22 ASN 37 2HD2 ASN 37 15.106 7.433 7.072
279 HA PRO 38 HA PRO 38 8.996 7.106 1.595
280 HB2 PRO 38 2HB PRO 38 10.022 9.909 1.723
281 HB3 PRO 38 1HB PRO 38 8.356 9.314 1.758
282 HG2 PRO 38 2HG PRO 38 9.538 10.125 3.993
283 HG3 PRO 38 1HG PRO 38 8.485 8.698 3.993
284 HD2 PRO 38 2HD PRO 38 11.461 8.860 4.101
285 HD3 PRO 38 1HD PRO 38 10.363 7.704 4.880
286 H LEU 39 H LEU 39 12.175 8.648 1.253
287 HA LEU 39 HA LEU 39 11.853 8.994 -1.578
288 HB2 LEU 39 2HB LEU 39 14.171 9.449 0.284
289 HB3 LEU 39 1HB LEU 39 14.303 9.677 -1.447
290 HG LEU 39 HG LEU 39 13.970 11.816 -0.475
291 HD11 LEU 39 1HD1 LEU 39 11.354 10.886 -1.644
292 HD12 LEU 39 2HD1 LEU 39 12.765 11.430 -2.550
293 HD13 LEU 39 3HD1 LEU 39 11.897 12.559 -1.511
294 HD21 LEU 39 3HD2 LEU 39 12.026 12.361 0.932
295 HD22 LEU 39 1HD2 LEU 39 13.086 11.167 1.683
296 HD23 LEU 39 2HD2 LEU 39 11.571 10.657 0.940
297 H SER 40 H SER 40 12.161 6.222 -0.075
298 HA SER 40 HA SER 40 13.749 5.088 -2.263
299 HB2 SER 40 2HB SER 40 14.071 4.344 0.653
300 HB3 SER 40 1HB SER 40 14.871 3.543 -0.700
301 HG SER 40 HG SER 40 15.336 6.122 -0.964
302 H ILE 41 H ILE 41 10.803 5.198 -0.979
303 HA ILE 41 HA ILE 41 10.154 2.469 -0.492
304 HB ILE 41 HB ILE 41 7.789 3.158 -0.711
305 HG12 ILE 41 2HG1 ILE 41 8.949 5.877 -1.369
306 HG13 ILE 41 1HG1 ILE 41 8.067 4.838 -2.484
307 HG21 ILE 41 1HG2 ILE 41 9.467 4.996 0.985
308 HG22 ILE 41 2HG2 ILE 41 8.921 3.376 1.425
309 HG23 ILE 41 3HG2 ILE 41 7.746 4.675 1.203
310 HD11 ILE 41 3HD1 ILE 41 6.066 5.062 -1.113
311 HD12 ILE 41 1HD1 ILE 41 6.665 6.635 -1.635
312 HD13 ILE 41 2HD1 ILE 41 6.948 6.087 0.018
313 H ASP 42 H ASP 42 10.780 4.143 -3.328
314 HA ASP 42 HA ASP 42 8.967 3.406 -5.218
315 HB2 ASP 42 2HB ASP 42 10.893 4.913 -5.576
316 HB3 ASP 42 1HB ASP 42 11.967 3.520 -5.593
317 H TYR 43 H TYR 43 11.598 1.392 -3.986
318 HA TYR 43 HA TYR 43 11.127 -0.656 -5.978
319 HB2 TYR 43 2HB TYR 43 13.069 -0.373 -3.702
320 HB3 TYR 43 1HB TYR 43 12.911 -1.881 -4.592
321 HD1 TYR 43 1HD TYR 43 13.690 1.736 -5.014
322 HD2 TYR 43 2HD TYR 43 14.041 -2.195 -6.608
323 HE1 TYR 43 1HE TYR 43 15.269 2.565 -6.708
324 HE2 TYR 43 2HE TYR 43 15.616 -1.375 -8.302
325 HH TYR 43 HH TYR 43 17.043 1.723 -8.138
326 H TYR 44 H TYR 44 9.904 0.033 -2.857
327 HA TYR 44 HA TYR 44 9.612 -2.829 -2.249
328 HB2 TYR 44 2HB TYR 44 9.403 -0.514 -0.326
329 HB3 TYR 44 1HB TYR 44 9.466 -2.227 0.078
330 HD1 TYR 44 2HD TYR 44 11.398 0.574 -1.329
331 HD2 TYR 44 1HD TYR 44 11.550 -3.342 0.311
332 HE1 TYR 44 2HE TYR 44 13.830 0.741 -1.195
333 HE2 TYR 44 1HE TYR 44 14.000 -3.190 0.463
334 HH TYR 44 HH TYR 44 15.850 -1.894 -0.664
335 H TYR 45 H TYR 45 7.777 -0.158 -3.233
336 HA TYR 45 HA TYR 45 5.367 -1.547 -2.256
337 HB2 TYR 45 2HB TYR 45 4.227 0.434 -1.906
338 HB3 TYR 45 1HB TYR 45 5.858 0.866 -1.426
339 HD1 TYR 45 1HD TYR 45 7.173 2.423 -2.779
340 HD2 TYR 45 2HD TYR 45 3.196 1.392 -3.872
341 HE1 TYR 45 1HE TYR 45 7.097 4.356 -4.296
342 HE2 TYR 45 2HE TYR 45 3.109 3.318 -5.399
343 HH TYR 45 HH TYR 45 5.881 5.090 -6.292
344 H GLN 46 H GLN 46 3.767 -2.045 -3.604
345 HA GLN 46 HA GLN 46 4.083 -1.336 -6.452
346 HB2 GLN 46 2HB GLN 46 4.587 -3.687 -6.173
347 HB3 GLN 46 1HB GLN 46 3.135 -3.928 -5.213
348 HG2 GLN 46 2HG GLN 46 1.804 -3.293 -7.232
349 HG3 GLN 46 1HG GLN 46 3.308 -3.321 -8.150
350 HE21 GLN 46 1HE2 GLN 46 2.554 -4.976 -9.459
351 HE22 GLN 46 2HE2 GLN 46 2.420 -6.612 -8.892
352 H SER 47 H SER 47 2.366 -0.303 -7.305
353 HA SER 47 HA SER 47 -0.149 -0.370 -5.785
354 HB2 SER 47 2HB SER 47 0.864 1.869 -5.913
355 HB3 SER 47 1HB SER 47 0.863 1.773 -7.674
356 HG SER 47 HG SER 47 -1.259 2.150 -5.897
357 H PHE 48 H PHE 48 -1.841 -1.295 -6.695
358 HA PHE 48 HA PHE 48 -2.096 -1.255 -9.601
359 HB2 PHE 48 2HB PHE 48 -2.731 -3.617 -9.704
360 HB3 PHE 48 1HB PHE 48 -1.091 -3.441 -9.100
361 HD1 PHE 48 2HD PHE 48 -0.654 -3.748 -6.659
362 HD2 PHE 48 1HD PHE 48 -4.397 -4.689 -8.447
363 HE1 PHE 48 2HE PHE 48 -1.223 -5.158 -4.724
364 HE2 PHE 48 1HE PHE 48 -4.973 -6.100 -6.517
365 HZ PHE 48 HZ PHE 48 -3.383 -6.336 -4.651
366 H SER 49 H SER 49 -4.230 -1.346 -10.334
367 HA SER 49 HA SER 49 -6.153 -0.581 -8.257
368 HB2 SER 49 2HB SER 49 -6.297 -0.148 -11.250
369 HB3 SER 49 1HB SER 49 -7.386 0.528 -10.037
370 HG SER 49 HG SER 49 -4.706 1.038 -9.587
371 H VAL 50 H VAL 50 -8.084 -1.597 -8.007
372 HA VAL 50 HA VAL 50 -8.384 -4.177 -9.363
373 HB VAL 50 HB VAL 50 -10.054 -4.693 -7.636
374 HG11 VAL 50 1HG1 VAL 50 -7.721 -5.238 -7.213
375 HG12 VAL 50 2HG1 VAL 50 -8.536 -4.790 -5.715
376 HG13 VAL 50 3HG1 VAL 50 -7.459 -3.641 -6.510
377 HG21 VAL 50 3HG2 VAL 50 -9.410 -1.948 -6.564
378 HG22 VAL 50 1HG2 VAL 50 -10.378 -3.166 -5.734
379 HG23 VAL 50 2HG2 VAL 50 -10.947 -2.470 -7.251
380 H SER 51 H SER 51 -10.968 -4.694 -9.464
381 HA SER 51 HA SER 51 -11.916 -2.706 -11.391
382 HB2 SER 51 2HB SER 51 -12.983 -5.502 -10.958
383 HB3 SER 51 1HB SER 51 -13.206 -4.470 -12.371
384 HG SER 51 HG SER 51 -11.588 -5.702 -13.037
Start of MODEL 3
1 HA MET 7 HA MET 7 -11.202 0.458 -10.520
2 HB2 MET 7 2HB MET 7 -12.390 2.624 -10.353
3 HB3 MET 7 1HB MET 7 -13.483 1.254 -10.425
4 HG2 MET 7 2HG MET 7 -14.401 2.708 -8.845
5 HG3 MET 7 1HG MET 7 -13.651 1.419 -7.909
6 HE1 MET 7 2HE MET 7 -11.696 4.308 -9.714
7 HE2 MET 7 3HE MET 7 -11.674 5.557 -8.470
8 HE3 MET 7 1HE MET 7 -13.195 5.109 -9.240
9 H GLU 8 H GLU 8 -10.801 0.476 -7.179
10 HA GLU 8 HA GLU 8 -9.163 2.832 -6.989
11 HB2 GLU 8 2HB GLU 8 -9.122 0.624 -4.960
12 HB3 GLU 8 1HB GLU 8 -8.976 2.355 -4.710
13 HG2 GLU 8 2HG GLU 8 -11.062 1.935 -3.858
14 HG3 GLU 8 1HG GLU 8 -11.449 2.409 -5.513
15 H ARG 9 H ARG 9 -7.004 2.960 -7.291
16 HA ARG 9 HA ARG 9 -5.543 0.450 -7.677
17 HB2 ARG 9 2HB ARG 9 -4.517 3.254 -8.149
18 HB3 ARG 9 1HB ARG 9 -3.786 1.748 -8.686
19 HG2 ARG 9 2HG ARG 9 -6.066 1.456 -9.946
20 HG3 ARG 9 1HG ARG 9 -6.141 3.210 -9.769
21 HD2 ARG 9 2HD ARG 9 -4.103 1.550 -11.220
22 HD3 ARG 9 1HD ARG 9 -5.116 2.846 -11.850
23 HE ARG 9 HE ARG 9 -3.179 3.585 -9.807
24 HH11 ARG 9 1HH1 ARG 9 -3.990 3.472 -13.208
25 HH12 ARG 9 2HH1 ARG 9 -2.745 4.589 -13.675
26 HH21 ARG 9 1HH2 ARG 9 -1.545 5.025 -10.393
27 HH22 ARG 9 2HH2 ARG 9 -1.330 5.471 -12.062
28 H VAL 10 H VAL 10 -4.787 -0.376 -5.878
29 HA VAL 10 HA VAL 10 -4.176 1.396 -3.629
30 HB VAL 10 HB VAL 10 -4.266 -0.690 -2.270
31 HG11 VAL 10 1HG1 VAL 10 -6.239 0.731 -2.520
32 HG12 VAL 10 2HG1 VAL 10 -6.695 -0.970 -2.411
33 HG13 VAL 10 3HG1 VAL 10 -6.700 -0.155 -3.975
34 HG21 VAL 10 3HG2 VAL 10 -5.230 -1.985 -4.823
35 HG22 VAL 10 1HG2 VAL 10 -5.097 -2.743 -3.236
36 HG23 VAL 10 2HG2 VAL 10 -3.642 -2.248 -4.102
37 H TYR 11 H TYR 11 -2.382 0.311 -2.126
38 HA TYR 11 HA TYR 11 -0.099 -0.340 -3.876
39 HB2 TYR 11 2HB TYR 11 0.092 1.405 -1.419
40 HB3 TYR 11 1HB TYR 11 1.318 1.142 -2.652
41 HD1 TYR 11 1HD TYR 11 0.807 2.031 -5.024
42 HD2 TYR 11 2HD TYR 11 -1.355 3.219 -1.555
43 HE1 TYR 11 1HE TYR 11 0.035 4.047 -6.203
44 HE2 TYR 11 2HE TYR 11 -2.137 5.234 -2.723
45 HH TYR 11 HH TYR 11 -1.923 5.651 -6.040
46 H GLN 12 H GLN 12 0.938 -2.144 -3.285
47 HA GLN 12 HA GLN 12 0.452 -3.173 -0.565
48 HB2 GLN 12 2HB GLN 12 0.918 -5.403 -1.460
49 HB3 GLN 12 1HB GLN 12 -0.391 -4.634 -2.344
50 HG2 GLN 12 2HG GLN 12 1.156 -4.074 -4.148
51 HG3 GLN 12 1HG GLN 12 2.469 -4.845 -3.259
52 HE21 GLN 12 1HE2 GLN 12 2.491 -7.090 -3.059
53 HE22 GLN 12 2HE2 GLN 12 1.559 -8.114 -4.098
54 H CYS 13 H CYS 13 2.145 -3.735 0.739
55 HA CYS 13 HA CYS 13 4.767 -2.776 -0.020
56 HB2 CYS 13 2HB CYS 13 5.353 -2.993 2.255
57 HB3 CYS 13 1HB CYS 13 3.632 -2.653 2.327
58 H LEU 14 H LEU 14 6.456 -4.022 -0.720
59 HA LEU 14 HA LEU 14 5.826 -6.684 -1.594
60 HB2 LEU 14 2HB LEU 14 8.381 -5.094 -1.757
61 HB3 LEU 14 1HB LEU 14 8.150 -6.666 -2.497
62 HG LEU 14 HG LEU 14 6.618 -4.154 -3.179
63 HD11 LEU 14 1HD1 LEU 14 8.907 -4.079 -3.980
64 HD12 LEU 14 2HD1 LEU 14 7.794 -4.321 -5.326
65 HD13 LEU 14 3HD1 LEU 14 8.728 -5.679 -4.699
66 HD21 LEU 14 3HD2 LEU 14 5.260 -6.188 -3.403
67 HD22 LEU 14 1HD2 LEU 14 6.506 -6.897 -4.429
68 HD23 LEU 14 2HD2 LEU 14 5.626 -5.466 -4.970
69 H ARG 15 H ARG 15 6.476 -5.806 1.377
70 HA ARG 15 HA ARG 15 8.368 -7.958 1.966
71 HB2 ARG 15 2HB ARG 15 9.096 -6.111 3.135
72 HB3 ARG 15 1HB ARG 15 7.468 -5.511 3.411
73 HG2 ARG 15 2HG ARG 15 8.310 -6.181 5.504
74 HG3 ARG 15 1HG ARG 15 7.140 -7.407 5.011
75 HD2 ARG 15 2HD ARG 15 9.083 -8.763 4.160
76 HD3 ARG 15 1HD ARG 15 10.150 -7.587 4.930
77 HE ARG 15 HE ARG 15 8.364 -9.482 6.281
78 HH11 ARG 15 1HH1 ARG 15 10.799 -6.953 6.507
79 HH12 ARG 15 2HH1 ARG 15 11.151 -7.289 8.173
80 HH21 ARG 15 1HH2 ARG 15 8.840 -9.905 8.458
81 HH22 ARG 15 2HH2 ARG 15 10.040 -8.955 9.287
82 H CYS 16 H CYS 16 5.200 -6.761 3.146
83 HA CYS 16 HA CYS 16 4.784 -9.420 4.332
84 HB2 CYS 16 2HB CYS 16 2.992 -7.089 4.905
85 HB3 CYS 16 1HB CYS 16 3.408 -8.452 5.936
86 H GLY 17 H GLY 17 3.833 -7.429 1.762
87 HA2 GLY 17 2HA GLY 17 2.372 -7.939 0.026
88 HA3 GLY 17 1HA GLY 17 1.729 -9.268 0.985
89 H LEU 18 H LEU 18 1.855 -6.617 2.944
90 HA LEU 18 HA LEU 18 -0.972 -6.418 3.083
91 HB2 LEU 18 2HB LEU 18 1.139 -4.591 4.235
92 HB3 LEU 18 1HB LEU 18 -0.560 -4.567 4.664
93 HG LEU 18 HG LEU 18 1.373 -6.830 5.183
94 HD11 LEU 18 1HD1 LEU 18 -0.029 -4.931 7.059
95 HD12 LEU 18 2HD1 LEU 18 1.683 -4.894 6.639
96 HD13 LEU 18 3HD1 LEU 18 1.023 -6.267 7.527
97 HD21 LEU 18 3HD2 LEU 18 -0.490 -7.863 6.401
98 HD22 LEU 18 1HD2 LEU 18 -0.845 -7.693 4.681
99 HD23 LEU 18 2HD2 LEU 18 -1.560 -6.577 5.845
100 H THR 19 H THR 19 -2.339 -5.229 1.941
101 HA THR 19 HA THR 19 -1.218 -3.156 0.180
102 HB THR 19 HB THR 19 -3.931 -4.296 -0.293
103 HG1 THR 19 1HG THR 19 -1.849 -5.875 0.041
104 HG21 THR 19 3HG2 THR 19 -3.072 -2.542 -1.733
105 HG22 THR 19 1HG2 THR 19 -3.214 -4.055 -2.628
106 HG23 THR 19 2HG2 THR 19 -1.633 -3.503 -2.072
107 H PHE 20 H PHE 20 -2.062 -1.126 0.155
108 HA PHE 20 HA PHE 20 -4.181 -0.518 2.127
109 HB2 PHE 20 2HB PHE 20 -1.967 1.417 1.500
110 HB3 PHE 20 1HB PHE 20 -2.998 1.338 2.924
111 HD1 PHE 20 1HD PHE 20 -2.497 -0.214 4.738
112 HD2 PHE 20 2HD PHE 20 -0.039 0.044 1.276
113 HE1 PHE 20 1HE PHE 20 -0.728 -1.470 5.899
114 HE2 PHE 20 2HE PHE 20 1.722 -1.212 2.419
115 HZ PHE 20 HZ PHE 20 1.384 -1.973 4.738
116 H ARG 21 H ARG 21 -5.598 1.130 1.612
117 HA ARG 21 HA ARG 21 -5.870 1.696 -1.220
118 HB2 ARG 21 2HB ARG 21 -7.584 2.193 1.198
119 HB3 ARG 21 1HB ARG 21 -7.939 2.999 -0.322
120 HG2 ARG 21 2HG ARG 21 -9.299 1.019 -0.114
121 HG3 ARG 21 1HG ARG 21 -8.127 0.788 -1.413
122 HD2 ARG 21 2HD ARG 21 -6.684 -0.439 0.211
123 HD3 ARG 21 1HD ARG 21 -7.991 -0.321 1.386
124 HE ARG 21 HE ARG 21 -9.127 -1.472 -0.840
125 HH11 ARG 21 1HH1 ARG 21 -6.435 -2.217 1.278
126 HH12 ARG 21 2HH1 ARG 21 -6.573 -3.942 1.081
127 HH21 ARG 21 1HH2 ARG 21 -9.343 -3.751 -1.088
128 HH22 ARG 21 2HH2 ARG 21 -8.233 -4.811 -0.265
129 H THR 22 H THR 22 -4.839 3.322 1.662
130 HA THR 22 HA THR 22 -4.684 5.865 0.201
131 HB THR 22 HB THR 22 -4.212 5.863 3.117
132 HG1 THR 22 1HG THR 22 -6.849 5.439 2.085
133 HG21 THR 22 3HG2 THR 22 -5.654 7.829 2.975
134 HG22 THR 22 1HG2 THR 22 -6.015 7.452 1.291
135 HG23 THR 22 2HG2 THR 22 -4.375 7.903 1.763
136 H LYS 23 H LYS 23 -2.764 6.841 -0.103
137 HA LYS 23 HA LYS 23 -0.438 5.237 -0.043
138 HB2 LYS 23 2HB LYS 23 -0.905 7.006 -1.724
139 HB3 LYS 23 1HB LYS 23 -0.626 8.221 -0.485
140 HG2 LYS 23 2HG LYS 23 1.691 7.288 -0.226
141 HG3 LYS 23 1HG LYS 23 1.371 6.290 -1.645
142 HD2 LYS 23 2HD LYS 23 0.966 8.293 -2.976
143 HD3 LYS 23 1HD LYS 23 1.243 9.304 -1.558
144 HE2 LYS 23 2HE LYS 23 3.267 9.371 -2.744
145 HE3 LYS 23 1HE LYS 23 3.550 8.220 -1.441
146 HZ1 LYS 23 3HZ LYS 23 3.164 6.416 -3.006
147 HZ2 LYS 23 1HZ LYS 23 4.420 7.418 -3.547
148 HZ3 LYS 23 2HZ LYS 23 2.882 7.525 -4.253
149 H LYS 24 H LYS 24 -1.619 7.756 2.135
150 HA LYS 24 HA LYS 24 0.824 8.205 3.478
151 HB2 LYS 24 2HB LYS 24 -2.022 8.517 4.449
152 HB3 LYS 24 1HB LYS 24 -0.614 9.055 5.355
153 HG2 LYS 24 2HG LYS 24 -0.022 10.531 3.447
154 HG3 LYS 24 1HG LYS 24 -1.535 10.056 2.672
155 HD2 LYS 24 2HD LYS 24 -1.277 11.418 5.354
156 HD3 LYS 24 1HD LYS 24 -1.756 12.195 3.844
157 HE2 LYS 24 2HE LYS 24 -3.242 9.925 5.167
158 HE3 LYS 24 1HE LYS 24 -3.671 11.629 5.317
159 HZ1 LYS 24 3HZ LYS 24 -4.128 11.736 2.990
160 HZ2 LYS 24 1HZ LYS 24 -4.975 10.418 3.627
161 HZ3 LYS 24 2HZ LYS 24 -3.557 10.162 2.733
162 H GLN 25 H GLN 25 -1.782 5.883 4.041
163 HA GLN 25 HA GLN 25 -0.691 4.761 6.406
164 HB2 GLN 25 2HB GLN 25 -2.553 3.530 4.358
165 HB3 GLN 25 1HB GLN 25 -2.208 2.853 5.945
166 HG2 GLN 25 2HG GLN 25 -3.516 5.509 5.401
167 HG3 GLN 25 1HG GLN 25 -4.329 4.034 5.922
168 HE21 GLN 25 1HE2 GLN 25 -4.125 3.351 8.042
169 HE22 GLN 25 2HE2 GLN 25 -3.491 4.377 9.288
170 H LEU 26 H LEU 26 -0.263 4.164 2.995
171 HA LEU 26 HA LEU 26 1.286 1.837 3.101
172 HB2 LEU 26 2HB LEU 26 0.457 2.600 1.001
173 HB3 LEU 26 1HB LEU 26 1.219 4.167 1.195
174 HG LEU 26 HG LEU 26 3.443 2.847 1.139
175 HD11 LEU 26 1HD1 LEU 26 1.636 0.856 -0.220
176 HD12 LEU 26 2HD1 LEU 26 2.405 0.630 1.351
177 HD13 LEU 26 3HD1 LEU 26 3.395 0.779 -0.101
178 HD21 LEU 26 3HD2 LEU 26 3.476 2.968 -1.312
179 HD22 LEU 26 1HD2 LEU 26 2.747 4.398 -0.584
180 HD23 LEU 26 2HD2 LEU 26 1.724 3.163 -1.317
181 H ILE 27 H ILE 27 2.232 5.264 3.081
182 HA ILE 27 HA ILE 27 5.004 4.839 3.187
183 HB ILE 27 HB ILE 27 3.574 7.226 4.357
184 HG12 ILE 27 2HG1 ILE 27 2.711 7.156 2.180
185 HG13 ILE 27 1HG1 ILE 27 4.103 8.224 2.038
186 HG21 ILE 27 1HG2 ILE 27 6.346 6.898 3.226
187 HG22 ILE 27 2HG2 ILE 27 5.921 7.112 4.924
188 HG23 ILE 27 3HG2 ILE 27 5.640 8.418 3.773
189 HD11 ILE 27 3HD1 ILE 27 3.984 6.713 0.168
190 HD12 ILE 27 1HD1 ILE 27 4.003 5.328 1.257
191 HD13 ILE 27 2HD1 ILE 27 5.416 6.375 1.140
192 H ARG 28 H ARG 28 2.647 5.433 5.771
193 HA ARG 28 HA ARG 28 4.308 5.511 7.966
194 HB2 ARG 28 2HB ARG 28 1.504 4.532 7.574
195 HB3 ARG 28 1HB ARG 28 2.283 4.346 9.139
196 HG2 ARG 28 2HG ARG 28 2.600 6.729 9.311
197 HG3 ARG 28 1HG ARG 28 1.944 6.959 7.688
198 HD2 ARG 28 2HD ARG 28 -0.219 6.463 8.348
199 HD3 ARG 28 1HD ARG 28 0.313 5.554 9.763
200 HE ARG 28 HE ARG 28 1.124 8.013 10.400
201 HH11 ARG 28 1HH1 ARG 28 -1.935 6.992 9.009
202 HH12 ARG 28 2HH1 ARG 28 -2.860 8.185 9.872
203 HH21 ARG 28 1HH2 ARG 28 -0.104 9.545 11.558
204 HH22 ARG 28 2HH2 ARG 28 -1.828 9.619 11.332
205 H HIS 29 H HIS 29 2.930 2.645 6.420
206 HA HIS 29 HA HIS 29 4.127 0.836 8.276
207 HB2 HIS 29 2HB HIS 29 2.057 0.262 7.166
208 HB3 HIS 29 1HB HIS 29 2.818 0.401 5.587
209 HD1 HIS 29 1HD HIS 29 3.659 -1.664 8.722
210 HD2 HIS 29 2HD HIS 29 3.200 -2.013 4.602
211 HE1 HIS 29 1HE HIS 29 4.139 -4.091 8.142
212 H LEU 30 H LEU 30 4.813 1.703 4.893
213 HA LEU 30 HA LEU 30 7.054 0.217 4.442
214 HB2 LEU 30 2HB LEU 30 6.035 2.797 3.438
215 HB3 LEU 30 1HB LEU 30 7.716 2.438 3.101
216 HG LEU 30 HG LEU 30 6.028 1.802 1.300
217 HD11 LEU 30 1HD1 LEU 30 7.170 -0.306 0.785
218 HD12 LEU 30 2HD1 LEU 30 7.829 -0.345 2.421
219 HD13 LEU 30 3HD1 LEU 30 8.302 0.941 1.310
220 HD21 LEU 30 3HD2 LEU 30 5.424 -0.417 3.252
221 HD22 LEU 30 1HD2 LEU 30 4.864 -0.322 1.582
222 HD23 LEU 30 2HD2 LEU 30 4.314 0.864 2.767
223 H VAL 31 H VAL 31 7.023 3.442 6.014
224 HA VAL 31 HA VAL 31 9.834 3.539 6.210
225 HB VAL 31 HB VAL 31 9.442 5.370 7.845
226 HG11 VAL 31 1HG1 VAL 31 8.592 6.938 6.171
227 HG12 VAL 31 2HG1 VAL 31 8.014 5.579 5.208
228 HG13 VAL 31 3HG1 VAL 31 9.744 5.803 5.468
229 HG21 VAL 31 3HG2 VAL 31 6.554 4.942 7.177
230 HG22 VAL 31 1HG2 VAL 31 7.218 6.275 8.119
231 HG23 VAL 31 2HG2 VAL 31 7.306 4.627 8.739
232 H ASN 32 H ASN 32 7.360 2.862 8.664
233 HA ASN 32 HA ASN 32 9.278 2.441 10.718
234 HB2 ASN 32 2HB ASN 32 6.940 3.136 11.160
235 HB3 ASN 32 1HB ASN 32 6.399 1.533 10.672
236 HD21 ASN 32 1HD2 ASN 32 5.572 0.905 12.604
237 HD22 ASN 32 2HD2 ASN 32 6.534 0.650 14.027
238 H THR 33 H THR 33 7.128 0.090 9.058
239 HA THR 33 HA THR 33 8.417 -2.069 10.464
240 HB THR 33 HB THR 33 6.362 -2.288 8.262
241 HG1 THR 33 1HG THR 33 6.023 -1.961 11.084
242 HG21 THR 33 3HG2 THR 33 5.819 -4.416 9.331
243 HG22 THR 33 1HG2 THR 33 7.059 -4.135 10.554
244 HG23 THR 33 2HG2 THR 33 7.521 -4.380 8.869
245 H GLU 34 H GLU 34 8.164 -1.077 7.037
246 HA GLU 34 HA GLU 34 9.945 -3.210 6.231
247 HB2 GLU 34 2HB GLU 34 9.413 -0.963 4.367
248 HB3 GLU 34 1HB GLU 34 9.405 -2.692 4.068
249 HG2 GLU 34 2HG GLU 34 7.229 -1.235 5.543
250 HG3 GLU 34 1HG GLU 34 7.208 -1.550 3.812
251 H LYS 35 H LYS 35 10.321 -0.309 7.679
252 HA LYS 35 HA LYS 35 11.947 1.178 8.080
253 HB2 LYS 35 2HB LYS 35 14.170 0.283 8.497
254 HB3 LYS 35 1HB LYS 35 12.919 -0.744 9.171
255 HG2 LYS 35 2HG LYS 35 13.278 -2.417 7.576
256 HG3 LYS 35 1HG LYS 35 14.179 -1.331 6.515
257 HD2 LYS 35 2HD LYS 35 15.656 -2.904 7.688
258 HD3 LYS 35 1HD LYS 35 15.993 -1.228 8.124
259 HE2 LYS 35 2HE LYS 35 14.584 -1.555 10.156
260 HE3 LYS 35 1HE LYS 35 14.466 -3.263 9.735
261 HZ1 LYS 35 3HZ LYS 35 17.029 -1.831 10.199
262 HZ2 LYS 35 1HZ LYS 35 16.823 -3.498 9.971
263 HZ3 LYS 35 2HZ LYS 35 16.229 -2.756 11.375
264 H VAL 36 H VAL 36 11.169 1.188 5.298
265 HA VAL 36 HA VAL 36 13.671 1.822 3.967
266 HB VAL 36 HB VAL 36 12.308 2.133 1.970
267 HG11 VAL 36 1HG1 VAL 36 13.187 -0.066 2.442
268 HG12 VAL 36 2HG1 VAL 36 11.606 -0.195 1.671
269 HG13 VAL 36 3HG1 VAL 36 11.763 -0.445 3.411
270 HG21 VAL 36 3HG2 VAL 36 9.975 1.389 3.710
271 HG22 VAL 36 1HG2 VAL 36 9.932 1.570 1.955
272 HG23 VAL 36 2HG2 VAL 36 10.268 2.967 2.978
273 H ASN 37 H ASN 37 14.223 3.829 3.286
274 HA ASN 37 HA ASN 37 13.229 6.110 4.660
275 HB2 ASN 37 2HB ASN 37 15.571 5.725 3.670
276 HB3 ASN 37 1HB ASN 37 14.861 6.111 2.109
277 HD21 ASN 37 1HD2 ASN 37 16.054 7.927 1.765
278 HD22 ASN 37 2HD2 ASN 37 15.882 9.379 2.708
279 HA PRO 38 HA PRO 38 9.598 7.113 2.278
280 HB2 PRO 38 2HB PRO 38 10.575 9.908 2.634
281 HB3 PRO 38 1HB PRO 38 8.976 9.222 2.950
282 HG2 PRO 38 2HG PRO 38 10.651 9.744 4.947
283 HG3 PRO 38 1HG PRO 38 9.628 8.297 4.966
284 HD2 PRO 38 2HD PRO 38 12.546 8.547 4.437
285 HD3 PRO 38 1HD PRO 38 11.647 7.232 5.218
286 H LEU 39 H LEU 39 12.765 8.249 1.329
287 HA LEU 39 HA LEU 39 11.814 9.147 -1.263
288 HB2 LEU 39 2HB LEU 39 14.554 9.012 -0.019
289 HB3 LEU 39 1HB LEU 39 14.316 9.425 -1.703
290 HG LEU 39 HG LEU 39 14.595 11.459 -0.529
291 HD11 LEU 39 1HD1 LEU 39 11.657 11.044 -1.042
292 HD12 LEU 39 2HD1 LEU 39 12.871 11.521 -2.229
293 HD13 LEU 39 3HD1 LEU 39 12.469 12.603 -0.896
294 HD21 LEU 39 3HD2 LEU 39 12.473 10.504 1.385
295 HD22 LEU 39 1HD2 LEU 39 13.183 12.118 1.372
296 HD23 LEU 39 2HD2 LEU 39 14.190 10.717 1.730
297 H SER 40 H SER 40 12.395 6.226 0.094
298 HA SER 40 HA SER 40 13.260 5.023 -2.452
299 HB2 SER 40 2HB SER 40 15.006 4.862 -0.712
300 HB3 SER 40 1HB SER 40 13.862 4.067 0.363
301 HG SER 40 HG SER 40 13.703 2.566 -1.631
302 H ILE 41 H ILE 41 10.592 5.523 -0.805
303 HA ILE 41 HA ILE 41 9.526 3.043 -0.079
304 HB ILE 41 HB ILE 41 7.264 4.152 -0.580
305 HG12 ILE 41 2HG1 ILE 41 9.070 6.557 -0.938
306 HG13 ILE 41 1HG1 ILE 41 8.117 5.798 -2.208
307 HG21 ILE 41 1HG2 ILE 41 7.409 5.553 1.421
308 HG22 ILE 41 2HG2 ILE 41 9.168 5.426 1.375
309 HG23 ILE 41 3HG2 ILE 41 8.185 3.986 1.647
310 HD11 ILE 41 3HD1 ILE 41 6.982 7.108 0.256
311 HD12 ILE 41 1HD1 ILE 41 6.071 6.438 -1.096
312 HD13 ILE 41 2HD1 ILE 41 7.095 7.853 -1.340
313 H ASP 42 H ASP 42 9.497 4.715 -3.181
314 HA ASP 42 HA ASP 42 7.542 3.218 -4.465
315 HB2 ASP 42 2HB ASP 42 9.884 4.776 -5.539
316 HB3 ASP 42 1HB ASP 42 8.714 3.991 -6.596
317 H TYR 43 H TYR 43 10.758 2.283 -3.709
318 HA TYR 43 HA TYR 43 11.003 0.377 -5.853
319 HB2 TYR 43 2HB TYR 43 12.647 0.672 -3.331
320 HB3 TYR 43 1HB TYR 43 13.071 -0.310 -4.726
321 HD1 TYR 43 2HD TYR 43 12.783 3.109 -3.427
322 HD2 TYR 43 1HD TYR 43 13.958 0.710 -6.738
323 HE1 TYR 43 2HE TYR 43 13.965 5.034 -4.393
324 HE2 TYR 43 1HE TYR 43 15.146 2.630 -7.712
325 HH TYR 43 HH TYR 43 15.105 5.090 -7.585
326 H TYR 44 H TYR 44 9.528 0.388 -2.747
327 HA TYR 44 HA TYR 44 9.662 -2.559 -2.627
328 HB2 TYR 44 2HB TYR 44 9.430 -0.665 -0.283
329 HB3 TYR 44 1HB TYR 44 9.593 -2.420 -0.205
330 HD1 TYR 44 1HD TYR 44 11.297 0.707 -1.050
331 HD2 TYR 44 2HD TYR 44 11.734 -3.472 -0.453
332 HE1 TYR 44 1HE TYR 44 13.718 0.972 -1.080
333 HE2 TYR 44 2HE TYR 44 14.178 -3.223 -0.469
334 HH TYR 44 HH TYR 44 15.860 -1.651 -1.334
335 H TYR 45 H TYR 45 7.585 -0.127 -3.295
336 HA TYR 45 HA TYR 45 5.369 -1.861 -2.425
337 HB2 TYR 45 2HB TYR 45 3.970 -0.085 -1.863
338 HB3 TYR 45 1HB TYR 45 5.531 0.423 -1.242
339 HD1 TYR 45 1HD TYR 45 3.146 0.926 -4.052
340 HD2 TYR 45 2HD TYR 45 6.478 2.465 -1.910
341 HE1 TYR 45 1HE TYR 45 2.903 3.070 -5.228
342 HE2 TYR 45 2HE TYR 45 6.247 4.608 -3.086
343 HH TYR 45 HH TYR 45 5.289 5.415 -5.282
344 H GLN 46 H GLN 46 3.689 -2.219 -3.823
345 HA GLN 46 HA GLN 46 4.084 -1.256 -6.580
346 HB2 GLN 46 2HB GLN 46 3.384 -4.015 -5.596
347 HB3 GLN 46 1HB GLN 46 3.020 -3.501 -7.235
348 HG2 GLN 46 2HG GLN 46 5.772 -3.487 -6.025
349 HG3 GLN 46 1HG GLN 46 5.120 -4.796 -7.009
350 HE21 GLN 46 1HE2 GLN 46 6.646 -4.571 -8.601
351 HE22 GLN 46 2HE2 GLN 46 6.690 -3.220 -9.685
352 H SER 47 H SER 47 2.313 -0.493 -7.610
353 HA SER 47 HA SER 47 -0.147 -0.328 -6.074
354 HB2 SER 47 2HB SER 47 0.867 1.634 -7.372
355 HB3 SER 47 1HB SER 47 0.330 0.809 -8.834
356 HG SER 47 HG SER 47 -1.570 1.101 -6.829
357 H PHE 48 H PHE 48 -1.992 -1.395 -6.522
358 HA PHE 48 HA PHE 48 -2.082 -3.077 -8.933
359 HB2 PHE 48 2HB PHE 48 -1.409 -4.435 -6.943
360 HB3 PHE 48 1HB PHE 48 -2.917 -3.976 -6.161
361 HD1 PHE 48 1HD PHE 48 -1.606 -5.621 -9.224
362 HD2 PHE 48 2HD PHE 48 -4.798 -5.300 -6.429
363 HE1 PHE 48 1HE PHE 48 -2.720 -7.538 -10.286
364 HE2 PHE 48 2HE PHE 48 -5.920 -7.221 -7.486
365 HZ PHE 48 HZ PHE 48 -4.881 -8.343 -9.417
366 H SER 49 H SER 49 -4.093 -3.280 -9.861
367 HA SER 49 HA SER 49 -6.037 -1.299 -9.055
368 HB2 SER 49 2HB SER 49 -6.201 -3.254 -11.359
369 HB3 SER 49 1HB SER 49 -7.089 -1.741 -11.173
370 HG SER 49 HG SER 49 -5.161 -1.755 -12.591
371 H VAL 50 H VAL 50 -7.789 -1.692 -7.876
372 HA VAL 50 HA VAL 50 -8.613 -4.463 -7.376
373 HB VAL 50 HB VAL 50 -9.654 -1.927 -6.084
374 HG11 VAL 50 1HG1 VAL 50 -10.438 -3.399 -4.309
375 HG12 VAL 50 2HG1 VAL 50 -9.820 -4.800 -5.184
376 HG13 VAL 50 3HG1 VAL 50 -11.143 -3.851 -5.862
377 HG21 VAL 50 3HG2 VAL 50 -8.185 -2.437 -4.194
378 HG22 VAL 50 1HG2 VAL 50 -7.265 -2.122 -5.665
379 HG23 VAL 50 2HG2 VAL 50 -7.487 -3.778 -5.101
380 H SER 51 H SER 51 -11.048 -4.844 -7.372
381 HA SER 51 HA SER 51 -12.134 -3.659 -9.815
382 HB2 SER 51 2HB SER 51 -12.996 -6.130 -8.287
383 HB3 SER 51 1HB SER 51 -13.689 -5.576 -9.812
384 HG SER 51 HG SER 51 -10.917 -6.035 -9.588
Start of MODEL 4
1 HA MET 7 HA MET 7 -12.042 -0.325 -8.249
2 HB2 MET 7 2HB MET 7 -13.778 1.452 -8.473
3 HB3 MET 7 1HB MET 7 -14.435 -0.176 -8.412
4 HG2 MET 7 2HG MET 7 -14.951 0.175 -6.016
5 HG3 MET 7 1HG MET 7 -14.410 1.845 -6.185
6 HE1 MET 7 2HE MET 7 -17.011 3.244 -8.781
7 HE2 MET 7 3HE MET 7 -15.444 2.517 -9.136
8 HE3 MET 7 1HE MET 7 -15.614 3.629 -7.777
9 H GLU 8 H GLU 8 -10.177 -0.100 -6.658
10 HA GLU 8 HA GLU 8 -9.749 2.726 -6.229
11 HB2 GLU 8 2HB GLU 8 -8.984 2.440 -3.905
12 HB3 GLU 8 1HB GLU 8 -10.691 2.057 -4.072
13 HG2 GLU 8 2HG GLU 8 -8.640 -0.115 -4.180
14 HG3 GLU 8 1HG GLU 8 -9.169 0.542 -2.634
15 H ARG 9 H ARG 9 -7.408 3.092 -5.593
16 HA ARG 9 HA ARG 9 -5.751 1.108 -6.978
17 HB2 ARG 9 2HB ARG 9 -5.661 3.525 -7.671
18 HB3 ARG 9 1HB ARG 9 -4.998 3.884 -6.085
19 HG2 ARG 9 2HG ARG 9 -3.062 2.504 -6.543
20 HG3 ARG 9 1HG ARG 9 -3.732 2.065 -8.116
21 HD2 ARG 9 2HD ARG 9 -2.054 3.807 -8.354
22 HD3 ARG 9 1HD ARG 9 -3.646 4.412 -8.804
23 HE ARG 9 HE ARG 9 -2.978 4.929 -6.062
24 HH11 ARG 9 1HH1 ARG 9 -2.539 6.089 -9.342
25 HH12 ARG 9 2HH1 ARG 9 -2.318 7.746 -8.856
26 HH21 ARG 9 1HH2 ARG 9 -2.670 7.087 -5.426
27 HH22 ARG 9 2HH2 ARG 9 -2.407 8.317 -6.628
28 H VAL 10 H VAL 10 -4.769 -0.316 -5.760
29 HA VAL 10 HA VAL 10 -4.199 0.370 -2.960
30 HB VAL 10 HB VAL 10 -4.113 -2.021 -2.480
31 HG11 VAL 10 1HG1 VAL 10 -6.465 -2.565 -2.776
32 HG12 VAL 10 2HG1 VAL 10 -6.623 -1.280 -3.973
33 HG13 VAL 10 3HG1 VAL 10 -6.263 -0.880 -2.292
34 HG21 VAL 10 3HG2 VAL 10 -4.745 -3.684 -4.142
35 HG22 VAL 10 1HG2 VAL 10 -3.293 -2.813 -4.636
36 HG23 VAL 10 2HG2 VAL 10 -4.847 -2.424 -5.374
37 H TYR 11 H TYR 11 -2.213 -0.211 -2.044
38 HA TYR 11 HA TYR 11 -0.046 -0.947 -3.905
39 HB2 TYR 11 2HB TYR 11 0.572 0.852 -1.609
40 HB3 TYR 11 1HB TYR 11 1.336 0.759 -3.189
41 HD1 TYR 11 1HD TYR 11 0.305 1.932 -5.124
42 HD2 TYR 11 2HD TYR 11 -1.218 2.350 -1.174
43 HE1 TYR 11 1HE TYR 11 -0.932 3.942 -5.818
44 HE2 TYR 11 2HE TYR 11 -2.459 4.357 -1.856
45 HH TYR 11 HH TYR 11 -2.335 6.097 -3.606
46 H GLN 12 H GLN 12 1.028 -2.778 -3.137
47 HA GLN 12 HA GLN 12 0.730 -3.261 -0.244
48 HB2 GLN 12 2HB GLN 12 0.836 -5.608 -0.606
49 HB3 GLN 12 1HB GLN 12 -0.329 -4.965 -1.751
50 HG2 GLN 12 2HG GLN 12 1.394 -5.067 -3.511
51 HG3 GLN 12 1HG GLN 12 2.500 -5.797 -2.347
52 HE21 GLN 12 1HE2 GLN 12 2.684 -7.687 -3.550
53 HE22 GLN 12 2HE2 GLN 12 1.399 -8.837 -3.670
54 H CYS 13 H CYS 13 2.446 -3.550 0.998
55 HA CYS 13 HA CYS 13 5.019 -2.809 0.075
56 HB2 CYS 13 2HB CYS 13 5.710 -3.106 2.341
57 HB3 CYS 13 1HB CYS 13 4.021 -2.636 2.449
58 H LEU 14 H LEU 14 6.738 -4.104 -0.577
59 HA LEU 14 HA LEU 14 6.023 -6.677 -1.589
60 HB2 LEU 14 2HB LEU 14 8.674 -5.250 -1.494
61 HB3 LEU 14 1HB LEU 14 8.401 -6.765 -2.333
62 HG LEU 14 HG LEU 14 7.122 -4.109 -2.979
63 HD11 LEU 14 1HD1 LEU 14 8.383 -4.299 -5.060
64 HD12 LEU 14 2HD1 LEU 14 9.121 -5.792 -4.477
65 HD13 LEU 14 3HD1 LEU 14 9.451 -4.266 -3.656
66 HD21 LEU 14 3HD2 LEU 14 6.128 -5.267 -4.886
67 HD22 LEU 14 1HD2 LEU 14 5.561 -5.942 -3.359
68 HD23 LEU 14 2HD2 LEU 14 6.782 -6.797 -4.302
69 H ARG 15 H ARG 15 6.582 -5.922 1.453
70 HA ARG 15 HA ARG 15 8.303 -8.203 2.060
71 HB2 ARG 15 2HB ARG 15 9.079 -6.357 3.249
72 HB3 ARG 15 1HB ARG 15 7.455 -5.775 3.598
73 HG2 ARG 15 2HG ARG 15 8.446 -6.615 5.614
74 HG3 ARG 15 1HG ARG 15 7.126 -7.683 5.115
75 HD2 ARG 15 2HD ARG 15 8.854 -9.138 4.020
76 HD3 ARG 15 1HD ARG 15 10.093 -8.140 4.780
77 HE ARG 15 HE ARG 15 9.140 -8.852 6.946
78 HH11 ARG 15 1HH1 ARG 15 8.399 -10.718 4.086
79 HH12 ARG 15 2HH1 ARG 15 8.186 -12.213 4.941
80 HH21 ARG 15 1HH2 ARG 15 8.881 -10.822 8.101
81 HH22 ARG 15 2HH2 ARG 15 8.469 -12.272 7.235
82 H CYS 16 H CYS 16 5.212 -6.824 3.232
83 HA CYS 16 HA CYS 16 4.620 -9.459 4.387
84 HB2 CYS 16 2HB CYS 16 3.004 -7.010 4.992
85 HB3 CYS 16 1HB CYS 16 3.328 -8.408 6.011
86 H GLY 17 H GLY 17 3.883 -7.540 1.753
87 HA2 GLY 17 2HA GLY 17 2.340 -7.824 0.069
88 HA3 GLY 17 1HA GLY 17 1.715 -9.218 0.939
89 H LEU 18 H LEU 18 1.928 -6.381 2.804
90 HA LEU 18 HA LEU 18 -0.921 -6.323 3.133
91 HB2 LEU 18 2HB LEU 18 1.221 -4.465 4.156
92 HB3 LEU 18 1HB LEU 18 -0.466 -4.388 4.627
93 HG LEU 18 HG LEU 18 1.448 -6.656 5.173
94 HD11 LEU 18 1HD1 LEU 18 1.058 -6.047 7.521
95 HD12 LEU 18 2HD1 LEU 18 0.088 -4.672 6.989
96 HD13 LEU 18 3HD1 LEU 18 1.809 -4.738 6.606
97 HD21 LEU 18 3HD2 LEU 18 -0.785 -7.515 4.700
98 HD22 LEU 18 1HD2 LEU 18 -1.476 -6.388 5.868
99 HD23 LEU 18 2HD2 LEU 18 -0.401 -7.675 6.413
100 H THR 19 H THR 19 -2.377 -5.227 2.008
101 HA THR 19 HA THR 19 -1.451 -3.259 0.052
102 HB THR 19 HB THR 19 -3.949 -3.410 -0.668
103 HG1 THR 19 1HG THR 19 -3.711 -5.920 0.664
104 HG21 THR 19 3HG2 THR 19 -2.056 -4.282 -1.975
105 HG22 THR 19 1HG2 THR 19 -3.487 -5.308 -2.098
106 HG23 THR 19 2HG2 THR 19 -2.140 -5.791 -1.064
107 H PHE 20 H PHE 20 -1.966 -1.157 0.108
108 HA PHE 20 HA PHE 20 -3.940 -0.247 2.104
109 HB2 PHE 20 2HB PHE 20 -1.571 1.382 1.172
110 HB3 PHE 20 1HB PHE 20 -2.622 1.685 2.553
111 HD1 PHE 20 1HD PHE 20 -2.411 0.335 4.591
112 HD2 PHE 20 2HD PHE 20 0.236 -0.136 1.301
113 HE1 PHE 20 1HE PHE 20 -0.849 -0.903 6.031
114 HE2 PHE 20 2HE PHE 20 1.798 -1.373 2.720
115 HZ PHE 20 HZ PHE 20 1.264 -1.761 5.097
116 H ARG 21 H ARG 21 -5.236 1.520 1.473
117 HA ARG 21 HA ARG 21 -5.413 1.840 -1.451
118 HB2 ARG 21 2HB ARG 21 -7.493 2.311 0.699
119 HB3 ARG 21 1HB ARG 21 -7.745 2.560 -1.024
120 HG2 ARG 21 2HG ARG 21 -7.338 0.184 -1.431
121 HG3 ARG 21 1HG ARG 21 -7.093 -0.066 0.299
122 HD2 ARG 21 2HD ARG 21 -9.626 1.004 -0.931
123 HD3 ARG 21 1HD ARG 21 -9.360 -0.686 -0.515
124 HE ARG 21 HE ARG 21 -8.857 0.815 1.773
125 HH11 ARG 21 1HH1 ARG 21 -11.535 0.150 -0.357
126 HH12 ARG 21 2HH1 ARG 21 -12.735 0.252 0.891
127 HH21 ARG 21 1HH2 ARG 21 -10.423 0.961 3.440
128 HH22 ARG 21 2HH2 ARG 21 -12.105 0.713 3.054
129 H THR 22 H THR 22 -4.641 3.395 1.445
130 HA THR 22 HA THR 22 -4.629 6.021 0.118
131 HB THR 22 HB THR 22 -4.341 6.891 2.505
132 HG1 THR 22 1HG THR 22 -5.341 5.329 4.059
133 HG21 THR 22 3HG2 THR 22 -6.437 7.122 1.285
134 HG22 THR 22 1HG2 THR 22 -6.747 6.772 2.986
135 HG23 THR 22 2HG2 THR 22 -6.918 5.499 1.777
136 H LYS 23 H LYS 23 -2.740 7.105 -0.063
137 HA LYS 23 HA LYS 23 -0.368 5.577 -0.125
138 HB2 LYS 23 2HB LYS 23 -0.961 7.545 -1.590
139 HB3 LYS 23 1HB LYS 23 -0.590 8.589 -0.227
140 HG2 LYS 23 2HG LYS 23 1.271 8.492 -1.770
141 HG3 LYS 23 1HG LYS 23 1.713 7.768 -0.223
142 HD2 LYS 23 2HD LYS 23 1.421 5.551 -1.127
143 HD3 LYS 23 1HD LYS 23 0.815 6.210 -2.645
144 HE2 LYS 23 2HE LYS 23 3.572 6.767 -1.574
145 HE3 LYS 23 1HE LYS 23 3.208 5.445 -2.681
146 HZ1 LYS 23 3HZ LYS 23 2.462 7.025 -4.316
147 HZ2 LYS 23 1HZ LYS 23 4.033 7.434 -3.822
148 HZ3 LYS 23 2HZ LYS 23 2.705 8.323 -3.250
149 H LYS 24 H LYS 24 -1.781 7.640 2.285
150 HA LYS 24 HA LYS 24 0.524 8.229 3.789
151 HB2 LYS 24 2HB LYS 24 -2.325 7.940 4.768
152 HB3 LYS 24 1HB LYS 24 -1.015 8.742 5.625
153 HG2 LYS 24 2HG LYS 24 -0.851 10.359 3.754
154 HG3 LYS 24 1HG LYS 24 -2.264 9.596 3.026
155 HD2 LYS 24 2HD LYS 24 -2.953 11.567 4.237
156 HD3 LYS 24 1HD LYS 24 -3.558 10.131 5.064
157 HE2 LYS 24 2HE LYS 24 -1.832 10.276 6.719
158 HE3 LYS 24 1HE LYS 24 -1.026 11.572 5.832
159 HZ1 LYS 24 3HZ LYS 24 -3.709 11.741 7.112
160 HZ2 LYS 24 1HZ LYS 24 -2.956 12.979 6.227
161 HZ3 LYS 24 2HZ LYS 24 -2.276 12.451 7.685
162 H GLN 25 H GLN 25 -1.808 5.562 3.999
163 HA GLN 25 HA GLN 25 -0.666 4.376 6.299
164 HB2 GLN 25 2HB GLN 25 -2.429 3.220 4.136
165 HB3 GLN 25 1HB GLN 25 -1.977 2.353 5.597
166 HG2 GLN 25 2HG GLN 25 -3.554 4.909 5.446
167 HG3 GLN 25 1HG GLN 25 -4.176 3.306 5.840
168 HE21 GLN 25 1HE2 GLN 25 -3.735 2.419 7.851
169 HE22 GLN 25 2HE2 GLN 25 -3.138 3.369 9.174
170 H LEU 26 H LEU 26 -0.077 4.049 2.865
171 HA LEU 26 HA LEU 26 1.583 1.782 2.936
172 HB2 LEU 26 2HB LEU 26 0.684 2.642 0.847
173 HB3 LEU 26 1HB LEU 26 1.556 4.149 1.056
174 HG LEU 26 HG LEU 26 3.691 2.793 0.943
175 HD11 LEU 26 1HD1 LEU 26 2.771 0.607 1.412
176 HD12 LEU 26 2HD1 LEU 26 3.538 0.615 -0.176
177 HD13 LEU 26 3HD1 LEU 26 1.781 0.684 -0.045
178 HD21 LEU 26 3HD2 LEU 26 1.890 2.849 -1.471
179 HD22 LEU 26 1HD2 LEU 26 3.645 2.670 -1.499
180 HD23 LEU 26 2HD2 LEU 26 2.921 4.163 -0.902
181 H ILE 27 H ILE 27 2.350 5.252 2.971
182 HA ILE 27 HA ILE 27 5.131 4.975 3.209
183 HB ILE 27 HB ILE 27 3.375 7.250 4.149
184 HG12 ILE 27 2HG1 ILE 27 4.918 6.894 1.568
185 HG13 ILE 27 1HG1 ILE 27 3.177 6.700 1.736
186 HG21 ILE 27 1HG2 ILE 27 5.574 7.328 5.201
187 HG22 ILE 27 2HG2 ILE 27 5.405 8.621 4.014
188 HG23 ILE 27 3HG2 ILE 27 6.346 7.182 3.622
189 HD11 ILE 27 3HD1 ILE 27 4.710 9.241 2.214
190 HD12 ILE 27 1HD1 ILE 27 2.962 9.043 2.337
191 HD13 ILE 27 2HD1 ILE 27 3.765 8.857 0.776
192 H ARG 28 H ARG 28 2.606 5.359 5.672
193 HA ARG 28 HA ARG 28 4.229 5.533 7.919
194 HB2 ARG 28 2HB ARG 28 1.456 4.440 7.520
195 HB3 ARG 28 1HB ARG 28 2.216 4.446 9.106
196 HG2 ARG 28 2HG ARG 28 2.424 6.847 9.041
197 HG3 ARG 28 1HG ARG 28 1.787 6.885 7.397
198 HD2 ARG 28 2HD ARG 28 -0.360 6.150 8.130
199 HD3 ARG 28 1HD ARG 28 0.248 5.802 9.748
200 HE ARG 28 HE ARG 28 0.766 8.402 9.575
201 HH11 ARG 28 1HH1 ARG 28 -2.148 6.650 8.677
202 HH12 ARG 28 2HH1 ARG 28 -3.209 7.972 9.088
203 HH21 ARG 28 1HH2 ARG 28 -0.630 10.118 10.099
204 HH22 ARG 28 2HH2 ARG 28 -2.344 9.938 9.890
205 H HIS 29 H HIS 29 3.051 2.648 6.245
206 HA HIS 29 HA HIS 29 4.175 0.879 8.215
207 HB2 HIS 29 2HB HIS 29 2.132 0.255 7.070
208 HB3 HIS 29 1HB HIS 29 2.934 0.355 5.509
209 HD1 HIS 29 1HD HIS 29 3.757 -1.594 8.723
210 HD2 HIS 29 2HD HIS 29 3.308 -2.104 4.616
211 HE1 HIS 29 1HE HIS 29 4.272 -4.032 8.233
212 H LEU 30 H LEU 30 4.924 1.636 4.806
213 HA LEU 30 HA LEU 30 7.220 0.185 4.474
214 HB2 LEU 30 2HB LEU 30 6.175 2.710 3.347
215 HB3 LEU 30 1HB LEU 30 7.871 2.370 3.072
216 HG LEU 30 HG LEU 30 6.245 1.636 1.247
217 HD11 LEU 30 1HD1 LEU 30 8.044 -0.443 2.486
218 HD12 LEU 30 2HD1 LEU 30 8.538 0.822 1.363
219 HD13 LEU 30 3HD1 LEU 30 7.445 -0.453 0.828
220 HD21 LEU 30 3HD2 LEU 30 4.507 0.717 2.697
221 HD22 LEU 30 1HD2 LEU 30 5.628 -0.523 3.260
222 HD23 LEU 30 2HD2 LEU 30 5.117 -0.498 1.573
223 H VAL 31 H VAL 31 6.956 3.376 6.019
224 HA VAL 31 HA VAL 31 9.789 3.574 6.421
225 HB VAL 31 HB VAL 31 7.525 5.164 7.638
226 HG11 VAL 31 1HG1 VAL 31 10.490 5.711 7.701
227 HG12 VAL 31 2HG1 VAL 31 9.498 5.228 9.075
228 HG13 VAL 31 3HG1 VAL 31 9.228 6.787 8.299
229 HG21 VAL 31 3HG2 VAL 31 9.437 5.816 5.398
230 HG22 VAL 31 1HG2 VAL 31 8.205 6.896 6.053
231 HG23 VAL 31 2HG2 VAL 31 7.728 5.416 5.219
232 H ASN 32 H ASN 32 7.047 2.580 8.409
233 HA ASN 32 HA ASN 32 8.565 2.544 10.833
234 HB2 ASN 32 2HB ASN 32 6.213 3.013 10.962
235 HB3 ASN 32 1HB ASN 32 5.809 1.497 10.166
236 HD21 ASN 32 1HD2 ASN 32 5.644 -0.330 11.357
237 HD22 ASN 32 2HD2 ASN 32 5.865 -0.392 13.071
238 H THR 33 H THR 33 7.136 -0.090 8.866
239 HA THR 33 HA THR 33 8.641 -1.972 10.521
240 HB THR 33 HB THR 33 6.450 -2.520 8.510
241 HG1 THR 33 1HG THR 33 6.469 -2.266 11.357
242 HG21 THR 33 3HG2 THR 33 7.916 -4.451 8.821
243 HG22 THR 33 1HG2 THR 33 6.349 -4.735 9.578
244 HG23 THR 33 2HG2 THR 33 7.744 -4.315 10.571
245 H GLU 34 H GLU 34 8.243 -1.068 7.102
246 HA GLU 34 HA GLU 34 10.089 -3.129 6.251
247 HB2 GLU 34 2HB GLU 34 9.405 -0.935 4.380
248 HB3 GLU 34 1HB GLU 34 9.457 -2.668 4.109
249 HG2 GLU 34 2HG GLU 34 7.270 -1.263 5.615
250 HG3 GLU 34 1HG GLU 34 7.212 -1.638 3.896
251 H LYS 35 H LYS 35 10.430 -0.237 7.686
252 HA LYS 35 HA LYS 35 12.009 1.334 7.982
253 HB2 LYS 35 2HB LYS 35 14.260 0.518 8.322
254 HB3 LYS 35 1HB LYS 35 13.093 -0.613 8.978
255 HG2 LYS 35 2HG LYS 35 13.403 -2.077 7.067
256 HG3 LYS 35 1HG LYS 35 14.526 -0.922 6.351
257 HD2 LYS 35 2HD LYS 35 14.973 -2.181 9.051
258 HD3 LYS 35 1HD LYS 35 15.556 -2.903 7.553
259 HE2 LYS 35 2HE LYS 35 17.370 -1.681 8.460
260 HE3 LYS 35 1HE LYS 35 16.759 -0.736 7.106
261 HZ1 LYS 35 3HZ LYS 35 16.001 -0.226 9.923
262 HZ2 LYS 35 1HZ LYS 35 15.710 0.771 8.583
263 HZ3 LYS 35 2HZ LYS 35 17.292 0.557 9.148
264 H VAL 36 H VAL 36 11.001 1.556 5.444
265 HA VAL 36 HA VAL 36 13.365 2.189 3.810
266 HB VAL 36 HB VAL 36 10.485 1.751 2.993
267 HG11 VAL 36 1HG1 VAL 36 12.873 2.427 1.286
268 HG12 VAL 36 2HG1 VAL 36 11.504 3.484 1.629
269 HG13 VAL 36 3HG1 VAL 36 11.266 2.006 0.696
270 HG21 VAL 36 3HG2 VAL 36 11.383 -0.180 1.779
271 HG22 VAL 36 1HG2 VAL 36 11.669 -0.310 3.515
272 HG23 VAL 36 2HG2 VAL 36 12.984 0.154 2.436
273 H ASN 37 H ASN 37 13.805 4.257 3.294
274 HA ASN 37 HA ASN 37 12.429 6.448 4.431
275 HB2 ASN 37 2HB ASN 37 14.574 6.141 2.360
276 HB3 ASN 37 1HB ASN 37 13.800 7.710 2.560
277 HD21 ASN 37 1HD2 ASN 37 16.568 6.831 3.096
278 HD22 ASN 37 2HD2 ASN 37 16.851 7.242 4.764
279 HA PRO 38 HA PRO 38 8.917 6.947 1.880
280 HB2 PRO 38 2HB PRO 38 9.345 9.866 2.156
281 HB3 PRO 38 1HB PRO 38 7.950 8.882 2.609
282 HG2 PRO 38 2HG PRO 38 9.603 9.863 4.457
283 HG3 PRO 38 1HG PRO 38 8.882 8.252 4.626
284 HD2 PRO 38 2HD PRO 38 11.652 9.013 3.796
285 HD3 PRO 38 1HD PRO 38 11.110 7.669 4.821
286 H LEU 39 H LEU 39 11.902 8.490 1.074
287 HA LEU 39 HA LEU 39 10.970 9.360 -1.531
288 HB2 LEU 39 2HB LEU 39 13.677 9.481 -0.207
289 HB3 LEU 39 1HB LEU 39 13.376 10.046 -1.836
290 HG LEU 39 HG LEU 39 13.385 11.960 -0.456
291 HD11 LEU 39 1HD1 LEU 39 11.615 11.961 -2.116
292 HD12 LEU 39 2HD1 LEU 39 11.114 12.833 -0.668
293 HD13 LEU 39 3HD1 LEU 39 10.514 11.201 -0.964
294 HD21 LEU 39 3HD2 LEU 39 13.138 10.878 1.705
295 HD22 LEU 39 1HD2 LEU 39 11.442 10.543 1.361
296 HD23 LEU 39 2HD2 LEU 39 11.993 12.209 1.539
297 H SER 40 H SER 40 11.744 6.440 -0.318
298 HA SER 40 HA SER 40 12.741 5.502 -2.919
299 HB2 SER 40 2HB SER 40 13.780 4.570 -0.231
300 HB3 SER 40 1HB SER 40 14.305 3.990 -1.812
301 HG SER 40 HG SER 40 14.555 6.571 -1.943
302 H ILE 41 H ILE 41 10.234 5.392 -0.916
303 HA ILE 41 HA ILE 41 9.774 2.718 -0.275
304 HB ILE 41 HB ILE 41 7.331 3.302 -0.319
305 HG12 ILE 41 2HG1 ILE 41 8.360 6.053 -1.049
306 HG13 ILE 41 1HG1 ILE 41 7.469 4.989 -2.132
307 HG21 ILE 41 1HG2 ILE 41 9.156 5.157 1.196
308 HG22 ILE 41 2HG2 ILE 41 8.651 3.541 1.691
309 HG23 ILE 41 3HG2 ILE 41 7.462 4.839 1.575
310 HD11 ILE 41 3HD1 ILE 41 6.433 6.164 0.436
311 HD12 ILE 41 1HD1 ILE 41 5.540 5.096 -0.644
312 HD13 ILE 41 2HD1 ILE 41 6.028 6.699 -1.195
313 H ASP 42 H ASP 42 9.508 4.351 -3.310
314 HA ASP 42 HA ASP 42 7.455 2.919 -4.531
315 HB2 ASP 42 2HB ASP 42 8.547 5.086 -5.285
316 HB3 ASP 42 1HB ASP 42 9.809 4.092 -6.002
317 H TYR 43 H TYR 43 10.699 1.944 -3.925
318 HA TYR 43 HA TYR 43 10.669 -0.086 -6.009
319 HB2 TYR 43 2HB TYR 43 12.769 0.429 -3.898
320 HB3 TYR 43 1HB TYR 43 12.951 -0.555 -5.345
321 HD1 TYR 43 1HD TYR 43 12.848 0.601 -7.608
322 HD2 TYR 43 2HD TYR 43 13.197 2.744 -3.945
323 HE1 TYR 43 1HE TYR 43 13.642 2.577 -8.838
324 HE2 TYR 43 2HE TYR 43 13.992 4.719 -5.171
325 HH TYR 43 HH TYR 43 13.748 4.999 -8.545
326 H TYR 44 H TYR 44 9.832 0.202 -2.706
327 HA TYR 44 HA TYR 44 10.202 -2.688 -2.267
328 HB2 TYR 44 2HB TYR 44 9.900 -0.518 -0.182
329 HB3 TYR 44 1HB TYR 44 10.301 -2.212 0.106
330 HD1 TYR 44 1HD TYR 44 11.525 0.948 -1.328
331 HD2 TYR 44 2HD TYR 44 12.551 -3.003 -0.138
332 HE1 TYR 44 1HE TYR 44 13.890 1.500 -1.583
333 HE2 TYR 44 2HE TYR 44 14.935 -2.457 -0.382
334 HH TYR 44 HH TYR 44 16.351 -0.858 -1.598
335 H TYR 45 H TYR 45 7.915 -0.628 -3.171
336 HA TYR 45 HA TYR 45 5.872 -2.475 -2.149
337 HB2 TYR 45 2HB TYR 45 4.308 -0.807 -1.659
338 HB3 TYR 45 1HB TYR 45 5.807 -0.082 -1.105
339 HD1 TYR 45 1HD TYR 45 3.323 -0.050 -3.872
340 HD2 TYR 45 2HD TYR 45 6.592 1.944 -2.018
341 HE1 TYR 45 1HE TYR 45 2.906 1.930 -5.271
342 HE2 TYR 45 2HE TYR 45 6.182 3.921 -3.413
343 HH TYR 45 HH TYR 45 5.118 4.343 -5.715
344 H GLN 46 H GLN 46 4.304 -3.083 -3.652
345 HA GLN 46 HA GLN 46 4.208 -1.712 -6.198
346 HB2 GLN 46 2HB GLN 46 6.001 -3.443 -6.485
347 HB3 GLN 46 1HB GLN 46 4.791 -4.677 -6.151
348 HG2 GLN 46 2HG GLN 46 3.509 -3.968 -8.091
349 HG3 GLN 46 1HG GLN 46 4.683 -2.696 -8.413
350 HE21 GLN 46 1HE2 GLN 46 5.464 -5.957 -7.356
351 HE22 GLN 46 2HE2 GLN 46 6.248 -6.433 -8.828
352 H SER 47 H SER 47 2.210 -1.665 -6.949
353 HA SER 47 HA SER 47 0.394 -3.775 -6.917
354 HB2 SER 47 2HB SER 47 0.176 -1.886 -4.627
355 HB3 SER 47 1HB SER 47 -1.315 -2.432 -5.382
356 HG SER 47 HG SER 47 0.679 -4.283 -4.679
357 H PHE 48 H PHE 48 -2.050 -2.304 -7.047
358 HA PHE 48 HA PHE 48 -1.652 -0.512 -9.251
359 HB2 PHE 48 2HB PHE 48 -1.072 -2.893 -10.077
360 HB3 PHE 48 1HB PHE 48 -2.788 -3.231 -9.912
361 HD1 PHE 48 1HD PHE 48 -0.455 -0.825 -11.517
362 HD2 PHE 48 2HD PHE 48 -4.182 -2.865 -11.711
363 HE1 PHE 48 1HE PHE 48 -0.813 0.057 -13.785
364 HE2 PHE 48 2HE PHE 48 -4.552 -1.986 -13.978
365 HZ PHE 48 HZ PHE 48 -2.867 -0.526 -15.017
366 H SER 49 H SER 49 -3.804 -0.054 -10.308
367 HA SER 49 HA SER 49 -5.841 0.253 -8.350
368 HB2 SER 49 2HB SER 49 -5.971 0.630 -11.351
369 HB3 SER 49 1HB SER 49 -7.133 1.248 -10.179
370 HG SER 49 HG SER 49 -5.886 2.907 -9.972
371 H VAL 50 H VAL 50 -7.468 -1.085 -7.849
372 HA VAL 50 HA VAL 50 -7.983 -3.362 -9.648
373 HB VAL 50 HB VAL 50 -8.969 -4.498 -7.665
374 HG11 VAL 50 1HG1 VAL 50 -6.838 -5.030 -6.581
375 HG12 VAL 50 2HG1 VAL 50 -6.101 -3.619 -7.341
376 HG13 VAL 50 3HG1 VAL 50 -6.673 -4.958 -8.337
377 HG21 VAL 50 3HG2 VAL 50 -8.553 -3.639 -5.430
378 HG22 VAL 50 1HG2 VAL 50 -9.515 -2.489 -6.358
379 HG23 VAL 50 2HG2 VAL 50 -7.793 -2.197 -6.104
380 H SER 51 H SER 51 -10.250 -4.059 -9.825
381 HA SER 51 HA SER 51 -12.020 -1.708 -9.701
382 HB2 SER 51 2HB SER 51 -11.281 -2.818 -11.969
383 HB3 SER 51 1HB SER 51 -12.513 -4.011 -11.560
384 HG SER 51 HG SER 51 -12.819 -1.226 -11.981
Start of MODEL 5
1 HA MET 7 HA MET 7 -10.820 3.056 -9.650
2 HB2 MET 7 2HB MET 7 -12.552 4.917 -8.019
3 HB3 MET 7 1HB MET 7 -11.166 5.471 -8.948
4 HG2 MET 7 2HG MET 7 -13.469 3.969 -10.153
5 HG3 MET 7 1HG MET 7 -13.393 5.728 -10.063
6 HE1 MET 7 2HE MET 7 -11.738 7.217 -11.361
7 HE2 MET 7 3HE MET 7 -10.402 6.614 -12.344
8 HE3 MET 7 1HE MET 7 -10.376 6.399 -10.594
9 H GLU 8 H GLU 8 -10.298 1.447 -7.369
10 HA GLU 8 HA GLU 8 -8.889 3.243 -5.522
11 HB2 GLU 8 2HB GLU 8 -9.772 0.366 -5.158
12 HB3 GLU 8 1HB GLU 8 -8.877 1.300 -3.969
13 HG2 GLU 8 2HG GLU 8 -11.159 1.274 -3.319
14 HG3 GLU 8 1HG GLU 8 -10.781 2.900 -3.886
15 H ARG 9 H ARG 9 -6.761 3.349 -5.702
16 HA ARG 9 HA ARG 9 -5.325 1.141 -6.982
17 HB2 ARG 9 2HB ARG 9 -4.388 3.921 -6.229
18 HB3 ARG 9 1HB ARG 9 -3.421 2.713 -7.069
19 HG2 ARG 9 2HG ARG 9 -4.984 2.758 -8.945
20 HG3 ARG 9 1HG ARG 9 -5.955 3.970 -8.104
21 HD2 ARG 9 2HD ARG 9 -3.104 4.270 -9.032
22 HD3 ARG 9 1HD ARG 9 -4.525 5.045 -9.733
23 HE ARG 9 HE ARG 9 -4.459 5.765 -7.055
24 HH11 ARG 9 1HH1 ARG 9 -2.481 6.193 -9.909
25 HH12 ARG 9 2HH1 ARG 9 -1.802 7.701 -9.367
26 HH21 ARG 9 1HH2 ARG 9 -3.586 7.725 -6.326
27 HH22 ARG 9 2HH2 ARG 9 -2.432 8.577 -7.312
28 H VAL 10 H VAL 10 -4.725 -0.387 -5.592
29 HA VAL 10 HA VAL 10 -4.190 0.413 -2.826
30 HB VAL 10 HB VAL 10 -4.517 -1.894 -2.179
31 HG11 VAL 10 1HG1 VAL 10 -6.858 -2.161 -2.716
32 HG12 VAL 10 2HG1 VAL 10 -6.700 -1.055 -4.081
33 HG13 VAL 10 3HG1 VAL 10 -6.499 -0.457 -2.431
34 HG21 VAL 10 3HG2 VAL 10 -5.080 -2.571 -5.055
35 HG22 VAL 10 1HG2 VAL 10 -5.019 -3.668 -3.674
36 HG23 VAL 10 2HG2 VAL 10 -3.542 -2.898 -4.255
37 H TYR 11 H TYR 11 -2.296 -0.115 -1.784
38 HA TYR 11 HA TYR 11 -0.079 -0.855 -3.588
39 HB2 TYR 11 2HB TYR 11 0.117 0.918 -1.150
40 HB3 TYR 11 1HB TYR 11 1.329 0.678 -2.404
41 HD1 TYR 11 1HD TYR 11 0.938 1.626 -4.680
42 HD2 TYR 11 2HD TYR 11 -1.592 2.546 -1.386
43 HE1 TYR 11 1HE TYR 11 0.082 3.583 -5.891
44 HE2 TYR 11 2HE TYR 11 -2.457 4.508 -2.591
45 HH TYR 11 HH TYR 11 -1.633 5.133 -5.939
46 H GLN 12 H GLN 12 0.953 -2.685 -3.031
47 HA GLN 12 HA GLN 12 0.656 -3.608 -0.252
48 HB2 GLN 12 2HB GLN 12 1.001 -5.864 -1.023
49 HB3 GLN 12 1HB GLN 12 -0.273 -5.130 -1.981
50 HG2 GLN 12 2HG GLN 12 1.363 -4.736 -3.785
51 HG3 GLN 12 1HG GLN 12 2.580 -5.574 -2.825
52 HE21 GLN 12 1HE2 GLN 12 2.885 -7.250 -4.236
53 HE22 GLN 12 2HE2 GLN 12 1.682 -8.443 -4.568
54 H CYS 13 H CYS 13 2.390 -3.843 0.992
55 HA CYS 13 HA CYS 13 4.926 -2.875 0.091
56 HB2 CYS 13 2HB CYS 13 5.627 -3.116 2.362
57 HB3 CYS 13 1HB CYS 13 3.926 -2.685 2.442
58 H LEU 14 H LEU 14 6.780 -4.057 -0.402
59 HA LEU 14 HA LEU 14 6.268 -6.711 -1.368
60 HB2 LEU 14 2HB LEU 14 8.783 -5.051 -1.353
61 HB3 LEU 14 1HB LEU 14 8.649 -6.623 -2.115
62 HG LEU 14 HG LEU 14 7.082 -4.158 -2.885
63 HD11 LEU 14 1HD1 LEU 14 8.407 -4.247 -4.936
64 HD12 LEU 14 2HD1 LEU 14 9.320 -5.611 -4.288
65 HD13 LEU 14 3HD1 LEU 14 9.431 -4.030 -3.516
66 HD21 LEU 14 3HD2 LEU 14 7.133 -6.917 -4.105
67 HD22 LEU 14 1HD2 LEU 14 6.297 -5.513 -4.769
68 HD23 LEU 14 2HD2 LEU 14 5.785 -6.194 -3.226
69 H ARG 15 H ARG 15 6.652 -5.921 1.669
70 HA ARG 15 HA ARG 15 8.463 -8.147 2.293
71 HB2 ARG 15 2HB ARG 15 9.250 -6.381 3.550
72 HB3 ARG 15 1HB ARG 15 7.651 -5.694 3.785
73 HG2 ARG 15 2HG ARG 15 8.471 -6.520 5.883
74 HG3 ARG 15 1HG ARG 15 7.118 -7.522 5.346
75 HD2 ARG 15 2HD ARG 15 8.763 -9.168 4.469
76 HD3 ARG 15 1HD ARG 15 10.060 -8.192 5.161
77 HE ARG 15 HE ARG 15 8.501 -8.620 7.300
78 HH11 ARG 15 1HH1 ARG 15 9.666 -10.836 4.841
79 HH12 ARG 15 2HH1 ARG 15 9.759 -12.192 5.925
80 HH21 ARG 15 1HH2 ARG 15 8.614 -10.411 8.731
81 HH22 ARG 15 2HH2 ARG 15 9.182 -11.946 8.141
82 H CYS 16 H CYS 16 5.351 -6.788 3.435
83 HA CYS 16 HA CYS 16 4.781 -9.413 4.617
84 HB2 CYS 16 2HB CYS 16 3.044 -7.023 5.097
85 HB3 CYS 16 1HB CYS 16 3.408 -8.369 6.168
86 H GLY 17 H GLY 17 3.996 -7.450 1.972
87 HA2 GLY 17 2HA GLY 17 2.548 -7.868 0.220
88 HA3 GLY 17 1HA GLY 17 1.946 -9.270 1.095
89 H LEU 18 H LEU 18 1.947 -6.572 3.073
90 HA LEU 18 HA LEU 18 -0.898 -6.546 3.223
91 HB2 LEU 18 2HB LEU 18 1.121 -4.614 4.367
92 HB3 LEU 18 1HB LEU 18 -0.580 -4.652 4.784
93 HG LEU 18 HG LEU 18 1.420 -6.849 5.328
94 HD11 LEU 18 1HD1 LEU 18 1.709 -4.871 6.744
95 HD12 LEU 18 2HD1 LEU 18 1.132 -6.262 7.659
96 HD13 LEU 18 3HD1 LEU 18 0.014 -4.969 7.218
97 HD21 LEU 18 3HD2 LEU 18 -0.381 -7.911 6.580
98 HD22 LEU 18 1HD2 LEU 18 -0.804 -7.740 4.878
99 HD23 LEU 18 2HD2 LEU 18 -1.493 -6.640 6.073
100 H THR 19 H THR 19 -2.330 -5.411 2.091
101 HA THR 19 HA THR 19 -1.282 -3.354 0.260
102 HB THR 19 HB THR 19 -3.956 -4.497 -0.282
103 HG1 THR 19 1HG THR 19 -1.756 -6.092 0.147
104 HG21 THR 19 3HG2 THR 19 -2.939 -2.967 -1.831
105 HG22 THR 19 1HG2 THR 19 -3.012 -4.566 -2.570
106 HG23 THR 19 2HG2 THR 19 -1.486 -3.962 -1.920
107 H PHE 20 H PHE 20 -2.115 -1.343 0.268
108 HA PHE 20 HA PHE 20 -4.377 -0.779 2.085
109 HB2 PHE 20 2HB PHE 20 -2.110 1.146 1.608
110 HB3 PHE 20 1HB PHE 20 -3.288 1.145 2.915
111 HD1 PHE 20 2HD PHE 20 -3.057 -0.419 4.790
112 HD2 PHE 20 1HD PHE 20 -0.147 -0.181 1.699
113 HE1 PHE 20 2HE PHE 20 -1.459 -1.641 6.204
114 HE2 PHE 20 1HE PHE 20 1.454 -1.401 3.099
115 HZ PHE 20 HZ PHE 20 0.804 -2.135 5.363
116 H ARG 21 H ARG 21 -5.768 0.926 1.448
117 HA ARG 21 HA ARG 21 -5.832 1.318 -1.433
118 HB2 ARG 21 2HB ARG 21 -7.797 2.167 0.698
119 HB3 ARG 21 1HB ARG 21 -8.060 2.274 -1.039
120 HG2 ARG 21 2HG ARG 21 -8.053 -0.110 -1.247
121 HG3 ARG 21 1HG ARG 21 -7.576 -0.306 0.441
122 HD2 ARG 21 2HD ARG 21 -10.164 0.868 -0.564
123 HD3 ARG 21 1HD ARG 21 -9.959 -0.715 0.184
124 HE ARG 21 HE ARG 21 -8.981 1.055 2.025
125 HH11 ARG 21 1HH1 ARG 21 -12.035 0.612 0.375
126 HH12 ARG 21 2HH1 ARG 21 -12.974 1.342 1.643
127 HH21 ARG 21 1HH2 ARG 21 -10.195 2.013 3.692
128 HH22 ARG 21 2HH2 ARG 21 -11.928 2.134 3.536
129 H THR 22 H THR 22 -4.452 2.982 1.085
130 HA THR 22 HA THR 22 -4.663 5.525 -0.368
131 HB THR 22 HB THR 22 -4.553 6.695 1.865
132 HG1 THR 22 1HG THR 22 -5.576 5.166 3.549
133 HG21 THR 22 3HG2 THR 22 -6.951 6.450 2.329
134 HG22 THR 22 1HG2 THR 22 -6.995 5.003 1.321
135 HG23 THR 22 2HG2 THR 22 -6.635 6.572 0.598
136 H LYS 23 H LYS 23 -2.874 6.915 -0.228
137 HA LYS 23 HA LYS 23 -0.353 5.692 -0.271
138 HB2 LYS 23 2HB LYS 23 -1.248 8.556 -0.124
139 HB3 LYS 23 1HB LYS 23 0.460 8.144 -0.078
140 HG2 LYS 23 2HG LYS 23 -1.412 7.331 -2.292
141 HG3 LYS 23 1HG LYS 23 -0.392 8.770 -2.328
142 HD2 LYS 23 2HD LYS 23 1.588 7.304 -2.013
143 HD3 LYS 23 1HD LYS 23 0.522 5.905 -2.138
144 HE2 LYS 23 2HE LYS 23 1.588 6.326 -4.270
145 HE3 LYS 23 1HE LYS 23 -0.142 6.632 -4.391
146 HZ1 LYS 23 3HZ LYS 23 0.299 8.998 -4.176
147 HZ2 LYS 23 1HZ LYS 23 1.133 8.347 -5.500
148 HZ3 LYS 23 2HZ LYS 23 1.964 8.701 -4.062
149 H LYS 24 H LYS 24 -1.965 7.595 2.232
150 HA LYS 24 HA LYS 24 0.147 7.994 3.973
151 HB2 LYS 24 2HB LYS 24 -2.755 7.522 4.662
152 HB3 LYS 24 1HB LYS 24 -1.561 8.237 5.734
153 HG2 LYS 24 2HG LYS 24 -1.305 10.124 4.252
154 HG3 LYS 24 1HG LYS 24 -2.414 9.394 3.091
155 HD2 LYS 24 2HD LYS 24 -4.193 9.465 4.803
156 HD3 LYS 24 1HD LYS 24 -3.075 10.283 5.895
157 HE2 LYS 24 2HE LYS 24 -2.871 12.128 4.317
158 HE3 LYS 24 1HE LYS 24 -3.963 11.310 3.201
159 HZ1 LYS 24 3HZ LYS 24 -4.635 12.305 5.917
160 HZ2 LYS 24 1HZ LYS 24 -5.695 11.441 4.914
161 HZ3 LYS 24 2HZ LYS 24 -5.143 12.972 4.445
162 H GLN 25 H GLN 25 -2.100 5.253 3.865
163 HA GLN 25 HA GLN 25 -1.071 3.936 6.145
164 HB2 GLN 25 2HB GLN 25 -2.615 2.864 3.780
165 HB3 GLN 25 1HB GLN 25 -2.312 1.967 5.262
166 HG2 GLN 25 2HG GLN 25 -3.758 4.598 5.194
167 HG3 GLN 25 1HG GLN 25 -4.568 3.037 5.074
168 HE21 GLN 25 1HE2 GLN 25 -4.695 1.720 6.862
169 HE22 GLN 25 2HE2 GLN 25 -4.358 2.286 8.465
170 H LEU 26 H LEU 26 -0.216 3.877 2.763
171 HA LEU 26 HA LEU 26 1.370 1.504 2.875
172 HB2 LEU 26 2HB LEU 26 0.256 2.343 0.846
173 HB3 LEU 26 1HB LEU 26 1.235 3.789 0.901
174 HG LEU 26 HG LEU 26 1.872 2.108 -0.810
175 HD11 LEU 26 1HD1 LEU 26 4.283 2.270 -0.466
176 HD12 LEU 26 2HD1 LEU 26 3.989 2.831 1.181
177 HD13 LEU 26 3HD1 LEU 26 3.451 3.800 -0.193
178 HD21 LEU 26 3HD2 LEU 26 3.169 0.152 -0.109
179 HD22 LEU 26 1HD2 LEU 26 1.500 0.082 0.460
180 HD23 LEU 26 2HD2 LEU 26 2.795 0.531 1.572
181 H ILE 27 H ILE 27 2.116 4.910 2.413
182 HA ILE 27 HA ILE 27 4.849 4.847 2.604
183 HB ILE 27 HB ILE 27 3.059 7.055 3.625
184 HG12 ILE 27 2HG1 ILE 27 4.330 6.637 0.905
185 HG13 ILE 27 1HG1 ILE 27 2.622 6.420 1.276
186 HG21 ILE 27 1HG2 ILE 27 5.962 7.098 2.798
187 HG22 ILE 27 2HG2 ILE 27 5.338 7.309 4.433
188 HG23 ILE 27 3HG2 ILE 27 4.992 8.515 3.194
189 HD11 ILE 27 3HD1 ILE 27 4.142 9.011 1.468
190 HD12 ILE 27 1HD1 ILE 27 2.426 8.787 1.804
191 HD13 ILE 27 2HD1 ILE 27 3.042 8.547 0.169
192 H ARG 28 H ARG 28 2.591 5.308 5.358
193 HA ARG 28 HA ARG 28 4.641 5.691 7.251
194 HB2 ARG 28 2HB ARG 28 2.975 5.384 8.966
195 HB3 ARG 28 1HB ARG 28 2.283 6.327 7.657
196 HG2 ARG 28 2HG ARG 28 1.029 4.459 6.875
197 HG3 ARG 28 1HG ARG 28 1.865 3.368 7.980
198 HD2 ARG 28 2HD ARG 28 0.901 4.582 9.883
199 HD3 ARG 28 1HD ARG 28 0.047 5.643 8.761
200 HE ARG 28 HE ARG 28 -1.247 3.738 8.053
201 HH11 ARG 28 1HH1 ARG 28 0.586 3.353 11.013
202 HH12 ARG 28 2HH1 ARG 28 -0.371 2.014 11.576
203 HH21 ARG 28 1HH2 ARG 28 -2.483 1.965 8.775
204 HH22 ARG 28 2HH2 ARG 28 -2.098 1.202 10.283
205 H HIS 29 H HIS 29 3.046 2.774 6.097
206 HA HIS 29 HA HIS 29 4.174 1.062 8.086
207 HB2 HIS 29 2HB HIS 29 2.108 0.437 6.980
208 HB3 HIS 29 1HB HIS 29 2.891 0.475 5.407
209 HD1 HIS 29 1HD HIS 29 3.635 -1.409 8.664
210 HD2 HIS 29 2HD HIS 29 3.264 -2.017 4.571
211 HE1 HIS 29 1HE HIS 29 4.121 -3.865 8.255
212 H LEU 30 H LEU 30 4.889 1.672 4.670
213 HA LEU 30 HA LEU 30 7.148 0.159 4.348
214 HB2 LEU 30 2HB LEU 30 6.141 2.680 3.165
215 HB3 LEU 30 1HB LEU 30 7.807 2.252 2.843
216 HG LEU 30 HG LEU 30 5.974 1.542 1.152
217 HD11 LEU 30 1HD1 LEU 30 7.955 -0.482 2.198
218 HD12 LEU 30 2HD1 LEU 30 8.318 0.821 1.066
219 HD13 LEU 30 3HD1 LEU 30 7.221 -0.478 0.594
220 HD21 LEU 30 3HD2 LEU 30 4.452 0.563 2.807
221 HD22 LEU 30 1HD2 LEU 30 5.672 -0.647 3.203
222 HD23 LEU 30 2HD2 LEU 30 4.954 -0.613 1.592
223 H VAL 31 H VAL 31 6.977 3.472 5.631
224 HA VAL 31 HA VAL 31 9.801 3.678 5.971
225 HB VAL 31 HB VAL 31 7.594 5.325 7.225
226 HG11 VAL 31 1HG1 VAL 31 10.551 5.882 7.011
227 HG12 VAL 31 2HG1 VAL 31 9.669 5.513 8.492
228 HG13 VAL 31 3HG1 VAL 31 9.334 7.007 7.613
229 HG21 VAL 31 3HG2 VAL 31 8.178 6.960 5.468
230 HG22 VAL 31 1HG2 VAL 31 7.546 5.451 4.810
231 HG23 VAL 31 2HG2 VAL 31 9.279 5.777 4.764
232 H ASN 32 H ASN 32 7.137 2.847 8.168
233 HA ASN 32 HA ASN 32 8.856 2.986 10.477
234 HB2 ASN 32 2HB ASN 32 6.300 3.479 10.320
235 HB3 ASN 32 1HB ASN 32 6.130 1.738 10.525
236 HD21 ASN 32 1HD2 ASN 32 7.014 4.724 11.988
237 HD22 ASN 32 2HD2 ASN 32 7.160 4.136 13.614
238 H THR 33 H THR 33 7.104 0.349 8.829
239 HA THR 33 HA THR 33 8.353 -1.552 10.651
240 HB THR 33 HB THR 33 6.243 -2.065 8.550
241 HG1 THR 33 1HG THR 33 6.024 -1.518 11.354
242 HG21 THR 33 3HG2 THR 33 7.441 -4.082 9.260
243 HG22 THR 33 1HG2 THR 33 5.786 -4.089 9.870
244 HG23 THR 33 2HG2 THR 33 7.124 -3.684 10.948
245 H GLU 34 H GLU 34 8.252 -0.828 7.175
246 HA GLU 34 HA GLU 34 9.941 -3.117 6.584
247 HB2 GLU 34 2HB GLU 34 9.492 -1.006 4.538
248 HB3 GLU 34 1HB GLU 34 9.513 -2.752 4.359
249 HG2 GLU 34 2HG GLU 34 7.264 -1.214 5.628
250 HG3 GLU 34 1HG GLU 34 7.323 -1.667 3.930
251 H LYS 35 H LYS 35 10.467 -0.247 7.938
252 HA LYS 35 HA LYS 35 12.044 1.358 8.049
253 HB2 LYS 35 2HB LYS 35 14.395 0.485 8.244
254 HB3 LYS 35 1HB LYS 35 13.214 -0.236 9.321
255 HG2 LYS 35 2HG LYS 35 13.625 -1.686 6.808
256 HG3 LYS 35 1HG LYS 35 15.036 -1.606 7.865
257 HD2 LYS 35 2HD LYS 35 12.292 -2.523 8.725
258 HD3 LYS 35 1HD LYS 35 13.622 -3.598 8.281
259 HE2 LYS 35 2HE LYS 35 14.969 -2.750 10.094
260 HE3 LYS 35 1HE LYS 35 13.734 -1.558 10.500
261 HZ1 LYS 35 3HZ LYS 35 12.244 -3.326 11.116
262 HZ2 LYS 35 1HZ LYS 35 13.697 -3.486 11.971
263 HZ3 LYS 35 2HZ LYS 35 13.370 -4.498 10.651
264 H VAL 36 H VAL 36 11.026 1.309 5.509
265 HA VAL 36 HA VAL 36 13.337 1.707 3.757
266 HB VAL 36 HB VAL 36 10.373 1.678 3.138
267 HG11 VAL 36 1HG1 VAL 36 11.023 1.771 0.793
268 HG12 VAL 36 2HG1 VAL 36 12.719 1.905 1.259
269 HG13 VAL 36 3HG1 VAL 36 11.589 3.199 1.662
270 HG21 VAL 36 3HG2 VAL 36 11.308 -0.525 3.687
271 HG22 VAL 36 1HG2 VAL 36 12.546 -0.302 2.451
272 HG23 VAL 36 2HG2 VAL 36 10.848 -0.417 1.988
273 H ASN 37 H ASN 37 14.122 3.685 3.460
274 HA ASN 37 HA ASN 37 13.133 6.052 4.542
275 HB2 ASN 37 2HB ASN 37 15.451 5.733 3.702
276 HB3 ASN 37 1HB ASN 37 14.845 5.705 2.055
277 HD21 ASN 37 1HD2 ASN 37 16.760 7.489 3.473
278 HD22 ASN 37 2HD2 ASN 37 16.158 9.091 3.199
279 HA PRO 38 HA PRO 38 9.440 6.816 2.189
280 HB2 PRO 38 2HB PRO 38 9.531 9.592 2.482
281 HB3 PRO 38 1HB PRO 38 8.764 8.457 3.594
282 HG2 PRO 38 2HG PRO 38 11.452 9.741 3.742
283 HG3 PRO 38 1HG PRO 38 10.309 9.374 5.048
284 HD2 PRO 38 2HD PRO 38 12.474 7.866 4.654
285 HD3 PRO 38 1HD PRO 38 10.924 7.136 5.121
286 H LEU 39 H LEU 39 12.520 8.264 1.424
287 HA LEU 39 HA LEU 39 11.635 9.372 -1.089
288 HB2 LEU 39 2HB LEU 39 14.300 9.010 0.242
289 HB3 LEU 39 1HB LEU 39 14.200 9.507 -1.433
290 HG LEU 39 HG LEU 39 13.157 11.575 -0.853
291 HD11 LEU 39 1HD1 LEU 39 11.641 10.774 0.898
292 HD12 LEU 39 2HD1 LEU 39 12.555 12.188 1.427
293 HD13 LEU 39 3HD1 LEU 39 13.011 10.579 1.992
294 HD21 LEU 39 3HD2 LEU 39 15.361 10.926 1.086
295 HD22 LEU 39 1HD2 LEU 39 14.833 12.554 0.656
296 HD23 LEU 39 2HD2 LEU 39 15.557 11.508 -0.568
297 H SER 40 H SER 40 12.571 6.284 0.026
298 HA SER 40 HA SER 40 13.323 5.419 -2.687
299 HB2 SER 40 2HB SER 40 13.876 3.998 -0.077
300 HB3 SER 40 1HB SER 40 14.558 3.628 -1.660
301 HG SER 40 HG SER 40 15.179 6.099 -1.324
302 H ILE 41 H ILE 41 10.720 5.400 -0.635
303 HA ILE 41 HA ILE 41 9.892 2.770 -0.384
304 HB ILE 41 HB ILE 41 7.545 3.651 -0.274
305 HG12 ILE 41 2HG1 ILE 41 8.909 6.319 -0.667
306 HG13 ILE 41 1HG1 ILE 41 7.849 5.538 -1.836
307 HG21 ILE 41 1HG2 ILE 41 8.847 3.424 1.719
308 HG22 ILE 41 2HG2 ILE 41 7.928 4.927 1.804
309 HG23 ILE 41 3HG2 ILE 41 9.649 4.966 1.421
310 HD11 ILE 41 3HD1 ILE 41 7.054 6.461 0.914
311 HD12 ILE 41 1HD1 ILE 41 5.994 5.702 -0.273
312 HD13 ILE 41 2HD1 ILE 41 6.697 7.286 -0.602
313 H ASP 42 H ASP 42 9.785 4.771 -3.200
314 HA ASP 42 HA ASP 42 7.593 3.735 -4.565
315 HB2 ASP 42 2HB ASP 42 8.792 5.781 -5.211
316 HB3 ASP 42 1HB ASP 42 10.171 4.813 -5.716
317 H TYR 43 H TYR 43 10.682 2.309 -4.031
318 HA TYR 43 HA TYR 43 10.398 0.449 -6.254
319 HB2 TYR 43 2HB TYR 43 12.587 1.497 -5.744
320 HB3 TYR 43 1HB TYR 43 12.595 0.678 -4.189
321 HD1 TYR 43 1HD TYR 43 12.584 0.078 -7.855
322 HD2 TYR 43 2HD TYR 43 13.424 -1.518 -4.000
323 HE1 TYR 43 1HE TYR 43 13.685 -1.857 -8.900
324 HE2 TYR 43 2HE TYR 43 14.527 -3.456 -5.035
325 HH TYR 43 HH TYR 43 15.455 -3.536 -8.243
326 H TYR 44 H TYR 44 9.627 0.558 -2.909
327 HA TYR 44 HA TYR 44 9.874 -2.367 -2.668
328 HB2 TYR 44 2HB TYR 44 9.730 -0.313 -0.458
329 HB3 TYR 44 1HB TYR 44 10.014 -2.043 -0.263
330 HD1 TYR 44 1HD TYR 44 11.436 1.106 -1.484
331 HD2 TYR 44 2HD TYR 44 12.175 -3.001 -0.696
332 HE1 TYR 44 1HE TYR 44 13.822 1.489 -1.806
333 HE2 TYR 44 2HE TYR 44 14.585 -2.630 -1.005
334 HH TYR 44 HH TYR 44 15.994 0.401 -1.047
335 H TYR 45 H TYR 45 7.596 -0.205 -3.384
336 HA TYR 45 HA TYR 45 5.566 -1.982 -2.194
337 HB2 TYR 45 2HB TYR 45 4.028 -0.246 -1.848
338 HB3 TYR 45 1HB TYR 45 5.557 0.416 -1.290
339 HD1 TYR 45 2HD TYR 45 3.107 0.486 -4.074
340 HD2 TYR 45 1HD TYR 45 6.440 2.396 -2.247
341 HE1 TYR 45 2HE TYR 45 2.756 2.452 -5.503
342 HE2 TYR 45 1HE TYR 45 6.089 4.371 -3.666
343 HH TYR 45 HH TYR 45 5.041 4.899 -5.862
344 H GLN 46 H GLN 46 3.886 -2.669 -3.483
345 HA GLN 46 HA GLN 46 4.245 -2.119 -6.362
346 HB2 GLN 46 2HB GLN 46 4.702 -4.474 -5.600
347 HB3 GLN 46 1HB GLN 46 3.016 -4.584 -5.115
348 HG2 GLN 46 2HG GLN 46 2.391 -4.070 -7.484
349 HG3 GLN 46 1HG GLN 46 4.100 -4.224 -7.893
350 HE21 GLN 46 1HE2 GLN 46 1.218 -5.893 -6.942
351 HE22 GLN 46 2HE2 GLN 46 1.806 -7.501 -7.208
352 H SER 47 H SER 47 2.512 -1.400 -7.509
353 HA SER 47 HA SER 47 0.117 -0.750 -5.971
354 HB2 SER 47 2HB SER 47 -0.345 0.705 -8.015
355 HB3 SER 47 1HB SER 47 1.066 1.138 -7.050
356 HG SER 47 HG SER 47 1.492 1.093 -9.323
357 H PHE 48 H PHE 48 -1.798 -1.674 -6.311
358 HA PHE 48 HA PHE 48 -2.214 -3.192 -8.807
359 HB2 PHE 48 2HB PHE 48 -2.058 -4.682 -6.823
360 HB3 PHE 48 1HB PHE 48 -3.373 -3.791 -6.066
361 HD1 PHE 48 1HD PHE 48 -2.492 -6.030 -8.856
362 HD2 PHE 48 2HD PHE 48 -5.626 -4.244 -6.601
363 HE1 PHE 48 1HE PHE 48 -4.114 -7.538 -9.924
364 HE2 PHE 48 2HE PHE 48 -7.258 -5.748 -7.665
365 HZ PHE 48 HZ PHE 48 -6.501 -7.397 -9.332
366 H SER 49 H SER 49 -4.151 -2.797 -9.882
367 HA SER 49 HA SER 49 -5.542 -0.417 -8.865
368 HB2 SER 49 2HB SER 49 -5.357 -1.431 -11.705
369 HB3 SER 49 1HB SER 49 -6.069 0.097 -11.182
370 HG SER 49 HG SER 49 -3.353 -0.699 -11.036
371 H VAL 50 H VAL 50 -7.565 -0.528 -8.270
372 HA VAL 50 HA VAL 50 -9.231 -2.788 -9.179
373 HB VAL 50 HB VAL 50 -9.685 -1.096 -6.711
374 HG11 VAL 50 1HG1 VAL 50 -11.662 -2.224 -7.594
375 HG12 VAL 50 2HG1 VAL 50 -11.182 -2.896 -6.037
376 HG13 VAL 50 3HG1 VAL 50 -10.815 -3.769 -7.524
377 HG21 VAL 50 3HG2 VAL 50 -7.583 -2.226 -6.383
378 HG22 VAL 50 1HG2 VAL 50 -8.277 -3.757 -6.921
379 HG23 VAL 50 2HG2 VAL 50 -8.819 -3.025 -5.410
380 H SER 51 H SER 51 -10.862 -2.238 -10.524
381 HA SER 51 HA SER 51 -11.470 0.618 -10.802
382 HB2 SER 51 2HB SER 51 -12.124 -1.688 -12.655
383 HB3 SER 51 1HB SER 51 -12.385 0.024 -12.995
384 HG SER 51 HG SER 51 -9.832 -0.445 -12.230
Start of MODEL 6
1 HA MET 7 HA MET 7 -11.477 -1.000 -9.277
2 HB2 MET 7 2HB MET 7 -11.840 1.155 -10.294
3 HB3 MET 7 1HB MET 7 -13.367 0.296 -10.241
4 HG2 MET 7 2HG MET 7 -12.546 2.414 -8.270
5 HG3 MET 7 1HG MET 7 -13.522 2.712 -9.705
6 HE1 MET 7 2HE MET 7 -15.438 0.199 -9.847
7 HE2 MET 7 3HE MET 7 -15.975 1.869 -10.037
8 HE3 MET 7 1HE MET 7 -16.814 0.795 -8.919
9 H GLU 8 H GLU 8 -10.867 -1.231 -6.633
10 HA GLU 8 HA GLU 8 -9.887 1.319 -5.650
11 HB2 GLU 8 2HB GLU 8 -9.593 -1.429 -4.423
12 HB3 GLU 8 1HB GLU 8 -9.274 0.109 -3.633
13 HG2 GLU 8 2HG GLU 8 -11.945 -0.919 -4.556
14 HG3 GLU 8 1HG GLU 8 -11.383 -0.777 -2.891
15 H ARG 9 H ARG 9 -8.038 2.036 -6.536
16 HA ARG 9 HA ARG 9 -5.920 0.182 -7.214
17 HB2 ARG 9 2HB ARG 9 -5.937 3.206 -7.227
18 HB3 ARG 9 1HB ARG 9 -4.654 2.191 -7.870
19 HG2 ARG 9 2HG ARG 9 -6.392 1.220 -9.434
20 HG3 ARG 9 1HG ARG 9 -7.446 2.537 -8.915
21 HD2 ARG 9 2HD ARG 9 -6.368 3.243 -10.915
22 HD3 ARG 9 1HD ARG 9 -5.634 4.130 -9.579
23 HE ARG 9 HE ARG 9 -4.306 1.692 -10.483
24 HH11 ARG 9 1HH1 ARG 9 -4.384 5.191 -10.410
25 HH12 ARG 9 2HH1 ARG 9 -2.737 5.367 -10.937
26 HH21 ARG 9 1HH2 ARG 9 -2.151 1.910 -11.187
27 HH22 ARG 9 2HH2 ARG 9 -1.470 3.498 -11.379
28 H VAL 10 H VAL 10 -4.899 -0.698 -5.557
29 HA VAL 10 HA VAL 10 -4.510 0.876 -3.118
30 HB VAL 10 HB VAL 10 -4.043 -1.253 -2.002
31 HG11 VAL 10 1HG1 VAL 10 -6.259 -2.258 -2.145
32 HG12 VAL 10 2HG1 VAL 10 -6.578 -1.366 -3.633
33 HG13 VAL 10 3HG1 VAL 10 -6.360 -0.498 -2.112
34 HG21 VAL 10 3HG2 VAL 10 -4.345 -3.387 -3.172
35 HG22 VAL 10 1HG2 VAL 10 -3.001 -2.456 -3.836
36 HG23 VAL 10 2HG2 VAL 10 -4.540 -2.517 -4.694
37 H TYR 11 H TYR 11 -2.475 0.780 -2.022
38 HA TYR 11 HA TYR 11 -0.194 0.271 -3.815
39 HB2 TYR 11 2HB TYR 11 -0.279 2.034 -1.347
40 HB3 TYR 11 1HB TYR 11 1.057 1.879 -2.483
41 HD1 TYR 11 2HD TYR 11 0.765 2.743 -4.828
42 HD2 TYR 11 1HD TYR 11 -2.040 3.559 -1.735
43 HE1 TYR 11 2HE TYR 11 -0.132 4.616 -6.141
44 HE2 TYR 11 1HE TYR 11 -2.945 5.435 -3.041
45 HH TYR 11 HH TYR 11 -2.177 6.964 -4.841
46 H GLN 12 H GLN 12 0.914 -1.526 -3.305
47 HA GLN 12 HA GLN 12 0.480 -2.601 -0.601
48 HB2 GLN 12 2HB GLN 12 0.796 -4.807 -1.492
49 HB3 GLN 12 1HB GLN 12 -0.392 -3.976 -2.484
50 HG2 GLN 12 2HG GLN 12 1.250 -3.587 -4.202
51 HG3 GLN 12 1HG GLN 12 2.514 -4.285 -3.191
52 HE21 GLN 12 1HE2 GLN 12 0.658 -6.362 -2.203
53 HE22 GLN 12 2HE2 GLN 12 0.533 -7.513 -3.486
54 H CYS 13 H CYS 13 2.176 -3.217 0.652
55 HA CYS 13 HA CYS 13 4.850 -2.550 -0.225
56 HB2 CYS 13 2HB CYS 13 5.503 -2.840 1.989
57 HB3 CYS 13 1HB CYS 13 3.800 -2.475 2.217
58 H LEU 14 H LEU 14 6.245 -3.966 -1.160
59 HA LEU 14 HA LEU 14 5.165 -6.472 -2.047
60 HB2 LEU 14 2HB LEU 14 7.907 -5.259 -2.393
61 HB3 LEU 14 1HB LEU 14 7.346 -6.706 -3.209
62 HG LEU 14 HG LEU 14 6.065 -3.991 -3.516
63 HD11 LEU 14 1HD1 LEU 14 7.153 -3.921 -5.701
64 HD12 LEU 14 2HD1 LEU 14 8.004 -5.420 -5.327
65 HD13 LEU 14 3HD1 LEU 14 8.333 -3.962 -4.391
66 HD21 LEU 14 3HD2 LEU 14 5.732 -6.569 -5.046
67 HD22 LEU 14 1HD2 LEU 14 4.967 -5.029 -5.442
68 HD23 LEU 14 2HD2 LEU 14 4.558 -5.856 -3.939
69 H ARG 15 H ARG 15 6.051 -5.910 0.891
70 HA ARG 15 HA ARG 15 7.993 -8.099 1.182
71 HB2 ARG 15 2HB ARG 15 7.288 -6.064 3.283
72 HB3 ARG 15 1HB ARG 15 8.758 -7.028 3.138
73 HG2 ARG 15 2HG ARG 15 7.893 -4.883 1.219
74 HG3 ARG 15 1HG ARG 15 9.095 -4.674 2.504
75 HD2 ARG 15 2HD ARG 15 10.593 -6.206 1.495
76 HD3 ARG 15 1HD ARG 15 9.350 -6.818 0.408
77 HE ARG 15 HE ARG 15 10.195 -4.036 0.115
78 HH11 ARG 15 1HH1 ARG 15 10.181 -7.326 -1.092
79 HH12 ARG 15 2HH1 ARG 15 10.777 -6.889 -2.666
80 HH21 ARG 15 1HH2 ARG 15 10.998 -3.465 -1.988
81 HH22 ARG 15 2HH2 ARG 15 11.264 -4.714 -3.162
82 H CYS 16 H CYS 16 5.210 -6.698 2.908
83 HA CYS 16 HA CYS 16 4.632 -9.350 4.020
84 HB2 CYS 16 2HB CYS 16 3.043 -6.921 4.750
85 HB3 CYS 16 1HB CYS 16 3.482 -8.305 5.744
86 H GLY 17 H GLY 17 3.892 -7.442 1.434
87 HA2 GLY 17 2HA GLY 17 2.310 -7.609 -0.218
88 HA3 GLY 17 1HA GLY 17 1.653 -9.009 0.623
89 H LEU 18 H LEU 18 2.069 -5.909 2.194
90 HA LEU 18 HA LEU 18 -0.786 -6.024 2.805
91 HB2 LEU 18 2HB LEU 18 1.428 -4.296 3.891
92 HB3 LEU 18 1HB LEU 18 -0.255 -4.100 4.347
93 HG LEU 18 HG LEU 18 1.508 -6.491 4.874
94 HD11 LEU 18 1HD1 LEU 18 1.022 -5.964 7.214
95 HD12 LEU 18 2HD1 LEU 18 0.097 -4.553 6.698
96 HD13 LEU 18 3HD1 LEU 18 1.833 -4.629 6.394
97 HD21 LEU 18 3HD2 LEU 18 -0.700 -7.284 4.256
98 HD22 LEU 18 1HD2 LEU 18 -1.446 -6.152 5.384
99 HD23 LEU 18 2HD2 LEU 18 -0.450 -7.475 5.992
100 H THR 19 H THR 19 -2.295 -4.830 1.900
101 HA THR 19 HA THR 19 -1.469 -2.807 -0.051
102 HB THR 19 HB THR 19 -3.833 -3.067 -0.901
103 HG1 THR 19 1HG THR 19 -5.127 -4.579 -0.047
104 HG21 THR 19 3HG2 THR 19 -2.007 -4.210 -2.011
105 HG22 THR 19 1HG2 THR 19 -3.430 -5.251 -1.969
106 HG23 THR 19 2HG2 THR 19 -2.095 -5.534 -0.849
107 H PHE 20 H PHE 20 -2.316 -0.747 -0.058
108 HA PHE 20 HA PHE 20 -4.156 -0.001 2.116
109 HB2 PHE 20 2HB PHE 20 -1.863 1.756 1.243
110 HB3 PHE 20 1HB PHE 20 -2.876 1.918 2.675
111 HD1 PHE 20 2HD PHE 20 -2.573 0.379 4.582
112 HD2 PHE 20 1HD PHE 20 0.017 0.344 1.216
113 HE1 PHE 20 2HE PHE 20 -0.924 -0.920 5.867
114 HE2 PHE 20 1HE PHE 20 1.662 -0.951 2.477
115 HZ PHE 20 HZ PHE 20 1.200 -1.587 4.811
116 H ARG 21 H ARG 21 -5.608 1.639 1.603
117 HA ARG 21 HA ARG 21 -6.028 1.979 -1.246
118 HB2 ARG 21 2HB ARG 21 -7.689 2.885 1.110
119 HB3 ARG 21 1HB ARG 21 -8.174 2.999 -0.576
120 HG2 ARG 21 2HG ARG 21 -8.165 0.595 -0.786
121 HG3 ARG 21 1HG ARG 21 -7.556 0.428 0.862
122 HD2 ARG 21 2HD ARG 21 -9.901 0.006 0.911
123 HD3 ARG 21 1HD ARG 21 -9.622 1.576 1.659
124 HE ARG 21 HE ARG 21 -10.346 1.559 -1.169
125 HH11 ARG 21 1HH1 ARG 21 -11.304 2.069 2.155
126 HH12 ARG 21 2HH1 ARG 21 -12.774 2.894 1.745
127 HH21 ARG 21 1HH2 ARG 21 -12.265 2.621 -1.728
128 HH22 ARG 21 2HH2 ARG 21 -13.332 3.206 -0.476
129 H THR 22 H THR 22 -4.409 3.660 1.143
130 HA THR 22 HA THR 22 -4.298 6.022 -0.588
131 HB THR 22 HB THR 22 -4.204 7.493 1.442
132 HG1 THR 22 1HG THR 22 -4.993 5.062 2.686
133 HG21 THR 22 3HG2 THR 22 -6.630 7.570 1.800
134 HG22 THR 22 1HG2 THR 22 -6.791 5.984 1.041
135 HG23 THR 22 2HG2 THR 22 -6.240 7.364 0.093
136 H LYS 23 H LYS 23 -2.348 7.200 -0.448
137 HA LYS 23 HA LYS 23 -0.073 5.541 -0.035
138 HB2 LYS 23 2HB LYS 23 -0.239 7.264 -1.817
139 HB3 LYS 23 1HB LYS 23 -0.171 8.515 -0.585
140 HG2 LYS 23 2HG LYS 23 2.065 8.005 -0.045
141 HG3 LYS 23 1HG LYS 23 2.009 6.477 -0.924
142 HD2 LYS 23 2HD LYS 23 3.253 8.097 -2.212
143 HD3 LYS 23 1HD LYS 23 1.735 7.739 -3.032
144 HE2 LYS 23 2HE LYS 23 2.104 10.100 -3.142
145 HE3 LYS 23 1HE LYS 23 0.778 9.803 -2.021
146 HZ1 LYS 23 3HZ LYS 23 2.509 11.470 -1.315
147 HZ2 LYS 23 1HZ LYS 23 3.573 10.168 -1.108
148 HZ3 LYS 23 2HZ LYS 23 2.148 10.253 -0.187
149 H LYS 24 H LYS 24 -1.773 7.769 1.950
150 HA LYS 24 HA LYS 24 0.154 8.499 3.834
151 HB2 LYS 24 2HB LYS 24 -2.780 7.859 4.153
152 HB3 LYS 24 1HB LYS 24 -1.792 8.529 5.442
153 HG2 LYS 24 2HG LYS 24 -1.438 10.545 4.232
154 HG3 LYS 24 1HG LYS 24 -2.178 9.865 2.778
155 HD2 LYS 24 2HD LYS 24 -4.322 9.883 3.733
156 HD3 LYS 24 1HD LYS 24 -3.684 10.091 5.364
157 HE2 LYS 24 2HE LYS 24 -3.535 12.132 3.154
158 HE3 LYS 24 1HE LYS 24 -4.688 12.154 4.488
159 HZ1 LYS 24 3HZ LYS 24 -1.747 12.475 4.636
160 HZ2 LYS 24 1HZ LYS 24 -2.716 12.191 6.004
161 HZ3 LYS 24 2HZ LYS 24 -2.942 13.595 5.075
162 H GLN 25 H GLN 25 -2.021 5.720 3.789
163 HA GLN 25 HA GLN 25 -1.030 4.474 6.118
164 HB2 GLN 25 2HB GLN 25 -2.467 3.266 3.745
165 HB3 GLN 25 1HB GLN 25 -2.300 2.523 5.330
166 HG2 GLN 25 2HG GLN 25 -3.780 3.997 6.322
167 HG3 GLN 25 1HG GLN 25 -3.584 5.205 5.054
168 HE21 GLN 25 1HE2 GLN 25 -6.019 4.060 6.150
169 HE22 GLN 25 2HE2 GLN 25 -6.861 3.342 4.814
170 H LEU 26 H LEU 26 -0.168 4.338 2.744
171 HA LEU 26 HA LEU 26 1.405 2.013 2.765
172 HB2 LEU 26 2HB LEU 26 0.586 3.041 0.708
173 HB3 LEU 26 1HB LEU 26 1.559 4.468 1.013
174 HG LEU 26 HG LEU 26 3.586 2.933 0.899
175 HD11 LEU 26 1HD1 LEU 26 3.364 0.840 -0.197
176 HD12 LEU 26 2HD1 LEU 26 1.647 1.102 -0.491
177 HD13 LEU 26 3HD1 LEU 26 2.233 0.849 1.154
178 HD21 LEU 26 3HD2 LEU 26 1.912 3.295 -1.579
179 HD22 LEU 26 1HD2 LEU 26 3.656 3.038 -1.524
180 HD23 LEU 26 2HD2 LEU 26 2.961 4.516 -0.858
181 H ILE 27 H ILE 27 2.318 5.447 2.987
182 HA ILE 27 HA ILE 27 5.084 4.999 3.201
183 HB ILE 27 HB ILE 27 3.441 7.350 4.160
184 HG12 ILE 27 2HG1 ILE 27 5.070 6.933 1.641
185 HG13 ILE 27 1HG1 ILE 27 3.311 6.893 1.737
186 HG21 ILE 27 1HG2 ILE 27 5.551 8.609 4.146
187 HG22 ILE 27 2HG2 ILE 27 6.427 7.122 3.778
188 HG23 ILE 27 3HG2 ILE 27 5.583 7.290 5.317
189 HD11 ILE 27 3HD1 ILE 27 5.054 9.274 2.324
190 HD12 ILE 27 1HD1 ILE 27 3.293 9.234 2.401
191 HD13 ILE 27 2HD1 ILE 27 4.112 9.009 0.856
192 H ARG 28 H ARG 28 2.562 5.337 5.657
193 HA ARG 28 HA ARG 28 4.248 5.466 7.889
194 HB2 ARG 28 2HB ARG 28 1.414 4.473 7.611
195 HB3 ARG 28 1HB ARG 28 2.232 4.635 9.161
196 HG2 ARG 28 2HG ARG 28 2.553 7.026 8.729
197 HG3 ARG 28 1HG ARG 28 1.689 6.853 7.201
198 HD2 ARG 28 2HD ARG 28 -0.316 6.185 8.375
199 HD3 ARG 28 1HD ARG 28 0.542 6.231 9.916
200 HE ARG 28 HE ARG 28 0.660 8.734 8.533
201 HH11 ARG 28 1HH1 ARG 28 -1.389 6.732 10.554
202 HH12 ARG 28 2HH1 ARG 28 -2.246 8.081 11.240
203 HH21 ARG 28 1HH2 ARG 28 -0.458 10.514 9.438
204 HH22 ARG 28 2HH2 ARG 28 -1.715 10.226 10.611
205 H HIS 29 H HIS 29 2.950 2.680 6.151
206 HA HIS 29 HA HIS 29 4.021 0.831 8.097
207 HB2 HIS 29 2HB HIS 29 1.958 0.232 7.020
208 HB3 HIS 29 1HB HIS 29 2.676 0.418 5.426
209 HD1 HIS 29 1HD HIS 29 3.435 -1.755 8.502
210 HD2 HIS 29 2HD HIS 29 3.245 -1.927 4.352
211 HE1 HIS 29 1HE HIS 29 4.034 -4.131 7.852
212 H LEU 30 H LEU 30 4.746 1.682 4.714
213 HA LEU 30 HA LEU 30 6.938 0.091 4.259
214 HB2 LEU 30 2HB LEU 30 6.052 2.748 3.286
215 HB3 LEU 30 1HB LEU 30 7.712 2.298 2.954
216 HG LEU 30 HG LEU 30 6.005 1.794 1.139
217 HD11 LEU 30 1HD1 LEU 30 8.244 0.815 1.193
218 HD12 LEU 30 2HD1 LEU 30 7.054 -0.323 0.561
219 HD13 LEU 30 3HD1 LEU 30 7.647 -0.493 2.214
220 HD21 LEU 30 3HD2 LEU 30 4.745 -0.300 1.395
221 HD22 LEU 30 1HD2 LEU 30 4.218 0.938 2.535
222 HD23 LEU 30 2HD2 LEU 30 5.250 -0.383 3.084
223 H VAL 31 H VAL 31 6.935 3.309 5.785
224 HA VAL 31 HA VAL 31 9.764 3.331 6.139
225 HB VAL 31 HB VAL 31 7.624 5.039 7.418
226 HG11 VAL 31 1HG1 VAL 31 10.620 5.408 7.363
227 HG12 VAL 31 2HG1 VAL 31 9.632 5.064 8.783
228 HG13 VAL 31 3HG1 VAL 31 9.457 6.602 7.938
229 HG21 VAL 31 3HG2 VAL 31 9.452 5.562 5.075
230 HG22 VAL 31 1HG2 VAL 31 8.308 6.712 5.770
231 HG23 VAL 31 2HG2 VAL 31 7.720 5.244 4.992
232 H ASN 32 H ASN 32 7.023 2.693 8.311
233 HA ASN 32 HA ASN 32 8.654 2.532 10.635
234 HB2 ASN 32 2HB ASN 32 6.292 3.134 10.783
235 HB3 ASN 32 1HB ASN 32 5.831 1.553 10.163
236 HD21 ASN 32 1HD2 ASN 32 5.880 -0.218 11.522
237 HD22 ASN 32 2HD2 ASN 32 6.108 -0.072 13.236
238 H THR 33 H THR 33 7.004 0.005 8.716
239 HA THR 33 HA THR 33 8.140 -1.986 10.504
240 HB THR 33 HB THR 33 6.191 -2.437 8.248
241 HG1 THR 33 1HG THR 33 4.679 -2.384 10.164
242 HG21 THR 33 3HG2 THR 33 6.819 -4.018 10.748
243 HG22 THR 33 1HG2 THR 33 7.265 -4.465 9.101
244 HG23 THR 33 2HG2 THR 33 5.567 -4.414 9.571
245 H GLU 34 H GLU 34 8.296 -1.123 7.059
246 HA GLU 34 HA GLU 34 9.964 -3.435 6.492
247 HB2 GLU 34 2HB GLU 34 9.828 -1.284 4.474
248 HB3 GLU 34 1HB GLU 34 9.640 -3.017 4.284
249 HG2 GLU 34 2HG GLU 34 7.518 -1.242 5.443
250 HG3 GLU 34 1HG GLU 34 7.651 -1.611 3.729
251 H LYS 35 H LYS 35 10.481 -0.567 7.934
252 HA LYS 35 HA LYS 35 12.232 0.730 8.501
253 HB2 LYS 35 2HB LYS 35 14.338 -0.175 8.715
254 HB3 LYS 35 1HB LYS 35 13.380 -1.640 8.576
255 HG2 LYS 35 2HG LYS 35 14.100 -2.052 6.401
256 HG3 LYS 35 1HG LYS 35 14.627 -0.388 6.159
257 HD2 LYS 35 2HD LYS 35 16.427 -0.771 7.824
258 HD3 LYS 35 1HD LYS 35 15.927 -2.463 7.920
259 HE2 LYS 35 2HE LYS 35 16.487 -2.839 5.634
260 HE3 LYS 35 1HE LYS 35 16.727 -1.115 5.349
261 HZ1 LYS 35 3HZ LYS 35 18.625 -1.171 6.847
262 HZ2 LYS 35 1HZ LYS 35 18.832 -2.262 5.569
263 HZ3 LYS 35 2HZ LYS 35 18.401 -2.832 7.105
264 H VAL 36 H VAL 36 11.043 0.668 5.646
265 HA VAL 36 HA VAL 36 13.175 1.426 3.916
266 HB VAL 36 HB VAL 36 10.180 1.474 3.593
267 HG11 VAL 36 1HG1 VAL 36 10.521 1.976 1.233
268 HG12 VAL 36 2HG1 VAL 36 12.254 2.151 1.508
269 HG13 VAL 36 3HG1 VAL 36 11.125 3.289 2.244
270 HG21 VAL 36 3HG2 VAL 36 12.336 -0.203 2.321
271 HG22 VAL 36 1HG2 VAL 36 10.597 -0.371 2.073
272 HG23 VAL 36 2HG2 VAL 36 11.299 -0.712 3.656
273 H ASN 37 H ASN 37 14.027 3.298 3.539
274 HA ASN 37 HA ASN 37 13.289 5.723 4.806
275 HB2 ASN 37 2HB ASN 37 15.578 5.219 4.016
276 HB3 ASN 37 1HB ASN 37 15.003 5.176 2.358
277 HD21 ASN 37 1HD2 ASN 37 17.025 6.822 3.824
278 HD22 ASN 37 2HD2 ASN 37 16.621 8.459 3.417
279 HA PRO 38 HA PRO 38 9.703 6.813 2.436
280 HB2 PRO 38 2HB PRO 38 10.666 9.595 2.826
281 HB3 PRO 38 1HB PRO 38 9.097 8.880 3.209
282 HG2 PRO 38 2HG PRO 38 10.886 9.431 5.117
283 HG3 PRO 38 1HG PRO 38 9.833 8.011 5.210
284 HD2 PRO 38 2HD PRO 38 12.728 8.183 4.551
285 HD3 PRO 38 1HD PRO 38 11.834 6.895 5.381
286 H LEU 39 H LEU 39 12.869 8.075 1.654
287 HA LEU 39 HA LEU 39 12.004 8.933 -0.987
288 HB2 LEU 39 2HB LEU 39 14.685 9.018 0.389
289 HB3 LEU 39 1HB LEU 39 14.438 9.530 -1.268
290 HG LEU 39 HG LEU 39 14.468 11.495 0.044
291 HD11 LEU 39 1HD1 LEU 39 12.226 12.423 -0.260
292 HD12 LEU 39 2HD1 LEU 39 11.592 10.799 -0.525
293 HD13 LEU 39 3HD1 LEU 39 12.747 11.492 -1.664
294 HD21 LEU 39 3HD2 LEU 39 14.132 10.519 2.239
295 HD22 LEU 39 1HD2 LEU 39 12.443 10.191 1.859
296 HD23 LEU 39 2HD2 LEU 39 13.010 11.857 1.986
297 H SER 40 H SER 40 12.332 6.025 0.155
298 HA SER 40 HA SER 40 13.635 4.961 -2.269
299 HB2 SER 40 2HB SER 40 14.946 4.728 -0.044
300 HB3 SER 40 1HB SER 40 13.715 3.551 0.396
301 HG SER 40 HG SER 40 15.495 3.451 -1.815
302 H ILE 41 H ILE 41 10.766 5.392 -0.897
303 HA ILE 41 HA ILE 41 9.693 2.843 -0.422
304 HB ILE 41 HB ILE 41 7.457 3.919 -0.767
305 HG12 ILE 41 2HG1 ILE 41 9.147 6.381 -1.257
306 HG13 ILE 41 1HG1 ILE 41 8.106 5.591 -2.437
307 HG21 ILE 41 1HG2 ILE 41 7.630 5.346 1.218
308 HG22 ILE 41 2HG2 ILE 41 9.387 5.306 1.078
309 HG23 ILE 41 3HG2 ILE 41 8.496 3.822 1.417
310 HD11 ILE 41 3HD1 ILE 41 6.159 6.135 -1.025
311 HD12 ILE 41 1HD1 ILE 41 7.031 7.564 -1.580
312 HD13 ILE 41 2HD1 ILE 41 7.233 6.997 0.079
313 H ASP 42 H ASP 42 10.111 4.633 -3.381
314 HA ASP 42 HA ASP 42 8.199 3.440 -5.020
315 HB2 ASP 42 2HB ASP 42 10.857 4.708 -5.580
316 HB3 ASP 42 1HB ASP 42 9.928 3.978 -6.884
317 H TYR 43 H TYR 43 11.113 2.096 -3.791
318 HA TYR 43 HA TYR 43 11.241 0.048 -5.861
319 HB2 TYR 43 2HB TYR 43 13.012 0.606 -3.475
320 HB3 TYR 43 1HB TYR 43 13.275 -0.707 -4.619
321 HD1 TYR 43 1HD TYR 43 13.402 2.925 -4.127
322 HD2 TYR 43 2HD TYR 43 14.078 -0.269 -6.853
323 HE1 TYR 43 1HE TYR 43 14.668 4.446 -5.587
324 HE2 TYR 43 2HE TYR 43 15.347 1.240 -8.317
325 HH TYR 43 HH TYR 43 16.414 4.298 -7.340
326 H TYR 44 H TYR 44 9.868 0.461 -2.755
327 HA TYR 44 HA TYR 44 9.857 -2.452 -2.311
328 HB2 TYR 44 2HB TYR 44 9.614 -0.237 -0.271
329 HB3 TYR 44 1HB TYR 44 9.589 -1.965 0.082
330 HD1 TYR 44 1HD TYR 44 11.678 0.820 -1.094
331 HD2 TYR 44 2HD TYR 44 11.608 -3.246 0.130
332 HE1 TYR 44 1HE TYR 44 14.119 0.817 -1.006
333 HE2 TYR 44 2HE TYR 44 14.060 -3.261 0.235
334 HH TYR 44 HH TYR 44 15.939 -0.522 0.237
335 H TYR 45 H TYR 45 7.903 0.208 -3.010
336 HA TYR 45 HA TYR 45 5.526 -1.358 -2.240
337 HB2 TYR 45 2HB TYR 45 4.360 0.538 -1.800
338 HB3 TYR 45 1HB TYR 45 5.969 1.173 -1.508
339 HD1 TYR 45 1HD TYR 45 3.092 1.178 -3.790
340 HD2 TYR 45 2HD TYR 45 6.941 2.819 -3.015
341 HE1 TYR 45 1HE TYR 45 2.656 2.959 -5.427
342 HE2 TYR 45 2HE TYR 45 6.514 4.603 -4.651
343 HH TYR 45 HH TYR 45 3.410 5.190 -5.964
344 H GLN 46 H GLN 46 3.768 -1.478 -3.715
345 HA GLN 46 HA GLN 46 4.366 -0.803 -6.505
346 HB2 GLN 46 2HB GLN 46 5.038 -3.155 -6.169
347 HB3 GLN 46 1HB GLN 46 3.430 -3.524 -5.563
348 HG2 GLN 46 2HG GLN 46 3.577 -4.282 -7.813
349 HG3 GLN 46 1HG GLN 46 2.508 -2.882 -7.773
350 HE21 GLN 46 1HE2 GLN 46 4.043 -4.058 -9.975
351 HE22 GLN 46 2HE2 GLN 46 5.034 -2.776 -10.591
352 H SER 47 H SER 47 2.583 -0.226 -7.685
353 HA SER 47 HA SER 47 0.114 0.130 -6.204
354 HB2 SER 47 2HB SER 47 0.802 0.935 -9.043
355 HB3 SER 47 1HB SER 47 -0.600 1.471 -8.117
356 HG SER 47 HG SER 47 2.140 2.019 -7.586
357 H PHE 48 H PHE 48 -1.608 -1.136 -6.382
358 HA PHE 48 HA PHE 48 -1.741 -3.068 -8.597
359 HB2 PHE 48 2HB PHE 48 -0.742 -4.084 -6.515
360 HB3 PHE 48 1HB PHE 48 -2.256 -3.742 -5.689
361 HD1 PHE 48 1HD PHE 48 -0.855 -5.568 -8.604
362 HD2 PHE 48 2HD PHE 48 -3.974 -5.291 -5.722
363 HE1 PHE 48 1HE PHE 48 -1.733 -7.739 -9.354
364 HE2 PHE 48 2HE PHE 48 -4.859 -7.463 -6.468
365 HZ PHE 48 HZ PHE 48 -3.735 -8.690 -8.285
366 H SER 49 H SER 49 -3.828 -3.477 -9.329
367 HA SER 49 HA SER 49 -5.879 -1.756 -8.099
368 HB2 SER 49 2HB SER 49 -5.813 -2.839 -10.921
369 HB3 SER 49 1HB SER 49 -6.923 -1.629 -10.276
370 HG SER 49 HG SER 49 -4.220 -1.080 -9.991
371 H VAL 50 H VAL 50 -7.586 -2.644 -7.171
372 HA VAL 50 HA VAL 50 -8.314 -5.399 -7.919
373 HB VAL 50 HB VAL 50 -9.359 -5.634 -5.684
374 HG11 VAL 50 1HG1 VAL 50 -7.115 -6.489 -6.053
375 HG12 VAL 50 2HG1 VAL 50 -7.282 -5.875 -4.408
376 HG13 VAL 50 3HG1 VAL 50 -6.429 -4.922 -5.624
377 HG21 VAL 50 3HG2 VAL 50 -8.032 -2.988 -5.090
378 HG22 VAL 50 1HG2 VAL 50 -8.807 -4.039 -3.906
379 HG23 VAL 50 2HG2 VAL 50 -9.770 -3.288 -5.178
380 H SER 51 H SER 51 -10.597 -5.868 -7.954
381 HA SER 51 HA SER 51 -12.061 -3.520 -8.915
382 HB2 SER 51 2HB SER 51 -12.623 -6.468 -9.323
383 HB3 SER 51 1HB SER 51 -13.495 -5.135 -10.078
384 HG SER 51 HG SER 51 -11.174 -6.302 -10.830
Start of MODEL 7
1 HA MET 7 HA MET 7 -10.799 2.223 -10.606
2 HB2 MET 7 2HB MET 7 -12.831 3.667 -8.892
3 HB3 MET 7 1HB MET 7 -11.813 4.375 -10.136
4 HG2 MET 7 2HG MET 7 -13.877 4.197 -11.159
5 HG3 MET 7 1HG MET 7 -13.015 2.772 -11.738
6 HE1 MET 7 2HE MET 7 -15.811 4.147 -9.358
7 HE2 MET 7 3HE MET 7 -14.649 3.469 -8.219
8 HE3 MET 7 1HE MET 7 -16.227 2.709 -8.424
9 H GLU 8 H GLU 8 -11.127 1.172 -7.439
10 HA GLU 8 HA GLU 8 -9.524 3.178 -6.156
11 HB2 GLU 8 2HB GLU 8 -10.235 0.398 -5.203
12 HB3 GLU 8 1HB GLU 8 -9.653 1.728 -4.209
13 HG2 GLU 8 2HG GLU 8 -11.659 2.950 -4.517
14 HG3 GLU 8 1HG GLU 8 -12.212 1.836 -5.767
15 H ARG 9 H ARG 9 -7.522 2.397 -4.908
16 HA ARG 9 HA ARG 9 -5.885 0.648 -6.623
17 HB2 ARG 9 2HB ARG 9 -4.990 3.265 -5.393
18 HB3 ARG 9 1HB ARG 9 -3.992 2.172 -6.340
19 HG2 ARG 9 2HG ARG 9 -5.135 2.676 -8.326
20 HG3 ARG 9 1HG ARG 9 -6.462 3.452 -7.459
21 HD2 ARG 9 2HD ARG 9 -3.627 4.442 -7.715
22 HD3 ARG 9 1HD ARG 9 -5.071 5.154 -8.438
23 HE ARG 9 HE ARG 9 -4.259 5.279 -5.629
24 HH11 ARG 9 1HH1 ARG 9 -6.573 6.075 -8.122
25 HH12 ARG 9 2HH1 ARG 9 -7.421 7.247 -7.164
26 HH21 ARG 9 1HH2 ARG 9 -5.362 6.803 -4.340
27 HH22 ARG 9 2HH2 ARG 9 -6.731 7.664 -4.980
28 H VAL 10 H VAL 10 -4.747 -0.826 -5.538
29 HA VAL 10 HA VAL 10 -4.494 -0.493 -2.629
30 HB VAL 10 HB VAL 10 -3.851 -3.002 -2.747
31 HG11 VAL 10 1HG1 VAL 10 -6.719 -2.186 -3.208
32 HG12 VAL 10 2HG1 VAL 10 -5.869 -2.093 -1.665
33 HG13 VAL 10 3HG1 VAL 10 -6.153 -3.661 -2.421
34 HG21 VAL 10 3HG2 VAL 10 -3.735 -3.174 -5.180
35 HG22 VAL 10 1HG2 VAL 10 -5.441 -2.739 -5.300
36 HG23 VAL 10 2HG2 VAL 10 -4.968 -4.252 -4.526
37 H TYR 11 H TYR 11 -2.548 -0.319 -1.742
38 HA TYR 11 HA TYR 11 -0.211 -0.625 -3.515
39 HB2 TYR 11 2HB TYR 11 -0.320 0.989 -0.958
40 HB3 TYR 11 1HB TYR 11 0.900 1.054 -2.225
41 HD1 TYR 11 2HD TYR 11 -0.288 1.570 -4.662
42 HD2 TYR 11 1HD TYR 11 -1.687 2.832 -0.845
43 HE1 TYR 11 2HE TYR 11 -1.501 3.425 -5.723
44 HE2 TYR 11 1HE TYR 11 -2.908 4.686 -1.901
45 HH TYR 11 HH TYR 11 -2.635 6.044 -4.098
46 H GLN 12 H GLN 12 0.904 -2.452 -3.086
47 HA GLN 12 HA GLN 12 0.695 -3.515 -0.354
48 HB2 GLN 12 2HB GLN 12 1.248 -5.715 -1.319
49 HB3 GLN 12 1HB GLN 12 -0.225 -5.036 -1.992
50 HG2 GLN 12 2HG GLN 12 0.999 -4.362 -3.994
51 HG3 GLN 12 1HG GLN 12 2.481 -5.028 -3.311
52 HE21 GLN 12 1HE2 GLN 12 -0.628 -6.538 -2.886
53 HE22 GLN 12 2HE2 GLN 12 -0.322 -7.911 -3.888
54 H CYS 13 H CYS 13 2.436 -3.775 0.866
55 HA CYS 13 HA CYS 13 4.984 -2.809 -0.022
56 HB2 CYS 13 2HB CYS 13 5.691 -3.120 2.234
57 HB3 CYS 13 1HB CYS 13 3.987 -2.722 2.361
58 H LEU 14 H LEU 14 6.726 -4.020 -0.744
59 HA LEU 14 HA LEU 14 6.113 -6.647 -1.715
60 HB2 LEU 14 2HB LEU 14 8.664 -5.047 -1.793
61 HB3 LEU 14 1HB LEU 14 8.450 -6.597 -2.586
62 HG LEU 14 HG LEU 14 6.914 -4.071 -3.204
63 HD11 LEU 14 1HD1 LEU 14 9.226 -3.983 -3.964
64 HD12 LEU 14 2HD1 LEU 14 8.120 -4.136 -5.331
65 HD13 LEU 14 3HD1 LEU 14 9.031 -5.540 -4.771
66 HD21 LEU 14 3HD2 LEU 14 6.818 -6.775 -4.544
67 HD22 LEU 14 1HD2 LEU 14 5.950 -5.330 -5.055
68 HD23 LEU 14 2HD2 LEU 14 5.557 -6.094 -3.516
69 H ARG 15 H ARG 15 6.671 -5.890 1.272
70 HA ARG 15 HA ARG 15 8.581 -8.024 1.874
71 HB2 ARG 15 2HB ARG 15 9.192 -6.118 3.058
72 HB3 ARG 15 1HB ARG 15 7.528 -5.660 3.379
73 HG2 ARG 15 2HG ARG 15 8.329 -6.334 5.445
74 HG3 ARG 15 1HG ARG 15 7.428 -7.735 4.861
75 HD2 ARG 15 2HD ARG 15 10.377 -7.507 4.357
76 HD3 ARG 15 1HD ARG 15 9.793 -8.051 5.926
77 HE ARG 15 HE ARG 15 8.648 -9.872 4.684
78 HH11 ARG 15 1HH1 ARG 15 11.331 -8.208 3.166
79 HH12 ARG 15 2HH1 ARG 15 11.852 -9.601 2.262
80 HH21 ARG 15 1HH2 ARG 15 9.361 -11.727 3.537
81 HH22 ARG 15 2HH2 ARG 15 10.758 -11.609 2.508
82 H CYS 16 H CYS 16 5.431 -6.851 3.109
83 HA CYS 16 HA CYS 16 4.956 -9.542 4.182
84 HB2 CYS 16 2HB CYS 16 3.166 -7.201 4.739
85 HB3 CYS 16 1HB CYS 16 3.514 -8.596 5.750
86 H GLY 17 H GLY 17 4.076 -7.462 1.640
87 HA2 GLY 17 2HA GLY 17 2.622 -7.826 -0.124
88 HA3 GLY 17 1HA GLY 17 2.055 -9.282 0.685
89 H LEU 18 H LEU 18 2.087 -6.522 2.663
90 HA LEU 18 HA LEU 18 -0.772 -6.635 2.930
91 HB2 LEU 18 2HB LEU 18 1.217 -4.697 4.113
92 HB3 LEU 18 1HB LEU 18 -0.467 -4.833 4.583
93 HG LEU 18 HG LEU 18 1.632 -6.977 4.919
94 HD11 LEU 18 1HD1 LEU 18 1.399 -6.530 7.297
95 HD12 LEU 18 2HD1 LEU 18 0.246 -5.241 6.956
96 HD13 LEU 18 3HD1 LEU 18 1.925 -5.082 6.437
97 HD21 LEU 18 3HD2 LEU 18 -0.093 -8.160 6.193
98 HD22 LEU 18 1HD2 LEU 18 -0.564 -7.933 4.507
99 HD23 LEU 18 2HD2 LEU 18 -1.261 -6.909 5.763
100 H THR 19 H THR 19 -2.277 -5.475 1.937
101 HA THR 19 HA THR 19 -1.467 -3.366 0.095
102 HB THR 19 HB THR 19 -4.000 -3.510 -0.494
103 HG1 THR 19 1HG THR 19 -4.483 -4.836 1.367
104 HG21 THR 19 3HG2 THR 19 -3.603 -5.278 -2.071
105 HG22 THR 19 1HG2 THR 19 -2.239 -5.880 -1.123
106 HG23 THR 19 2HG2 THR 19 -2.134 -4.311 -1.922
107 H PHE 20 H PHE 20 -2.179 -1.279 0.187
108 HA PHE 20 HA PHE 20 -3.916 -0.510 2.443
109 HB2 PHE 20 2HB PHE 20 -1.727 1.216 1.271
110 HB3 PHE 20 1HB PHE 20 -2.642 1.492 2.753
111 HD1 PHE 20 1HD PHE 20 -2.335 -0.160 4.661
112 HD2 PHE 20 2HD PHE 20 0.267 0.049 1.305
113 HE1 PHE 20 1HE PHE 20 -0.608 -1.368 5.928
114 HE2 PHE 20 2HE PHE 20 1.996 -1.157 2.560
115 HZ PHE 20 HZ PHE 20 1.560 -1.866 4.880
116 H ARG 21 H ARG 21 -5.041 1.587 2.051
117 HA ARG 21 HA ARG 21 -6.087 1.587 -0.688
118 HB2 ARG 21 2HB ARG 21 -7.194 3.109 1.671
119 HB3 ARG 21 1HB ARG 21 -8.014 2.697 0.175
120 HG2 ARG 21 2HG ARG 21 -7.954 0.323 0.825
121 HG3 ARG 21 1HG ARG 21 -7.207 0.787 2.359
122 HD2 ARG 21 2HD ARG 21 -9.197 2.310 2.709
123 HD3 ARG 21 1HD ARG 21 -9.949 1.494 1.340
124 HE ARG 21 HE ARG 21 -9.041 -0.055 3.664
125 HH11 ARG 21 1HH1 ARG 21 -11.587 0.961 1.486
126 HH12 ARG 21 2HH1 ARG 21 -12.799 -0.041 2.231
127 HH21 ARG 21 1HH2 ARG 21 -10.618 -1.395 4.625
128 HH22 ARG 21 2HH2 ARG 21 -12.258 -1.357 4.043
129 H THR 22 H THR 22 -4.627 3.701 1.720
130 HA THR 22 HA THR 22 -4.558 5.864 -0.273
131 HB THR 22 HB THR 22 -4.241 7.386 1.681
132 HG1 THR 22 1HG THR 22 -4.880 6.414 3.756
133 HG21 THR 22 3HG2 THR 22 -6.738 5.689 1.692
134 HG22 THR 22 1HG2 THR 22 -6.450 7.122 0.705
135 HG23 THR 22 2HG2 THR 22 -6.584 7.270 2.457
136 H LYS 23 H LYS 23 -2.647 7.327 -0.099
137 HA LYS 23 HA LYS 23 -0.259 5.772 -0.263
138 HB2 LYS 23 2HB LYS 23 -0.707 7.767 -1.677
139 HB3 LYS 23 1HB LYS 23 -0.561 8.784 -0.249
140 HG2 LYS 23 2HG LYS 23 1.758 8.116 0.018
141 HG3 LYS 23 1HG LYS 23 1.620 7.032 -1.366
142 HD2 LYS 23 2HD LYS 23 1.264 10.025 -1.448
143 HD3 LYS 23 1HD LYS 23 2.716 9.155 -1.943
144 HE2 LYS 23 2HE LYS 23 1.360 7.946 -3.631
145 HE3 LYS 23 1HE LYS 23 -0.026 8.936 -3.177
146 HZ1 LYS 23 3HZ LYS 23 2.537 9.948 -4.291
147 HZ2 LYS 23 1HZ LYS 23 1.211 10.906 -3.849
148 HZ3 LYS 23 2HZ LYS 23 1.076 9.813 -5.138
149 H LYS 24 H LYS 24 -1.787 7.678 2.195
150 HA LYS 24 HA LYS 24 0.481 8.089 3.842
151 HB2 LYS 24 2HB LYS 24 -2.452 8.003 4.570
152 HB3 LYS 24 1HB LYS 24 -1.167 8.552 5.638
153 HG2 LYS 24 2HG LYS 24 -2.023 9.815 3.042
154 HG3 LYS 24 1HG LYS 24 -2.250 10.458 4.671
155 HD2 LYS 24 2HD LYS 24 0.185 10.602 4.942
156 HD3 LYS 24 1HD LYS 24 0.397 9.982 3.303
157 HE2 LYS 24 2HE LYS 24 -0.854 11.933 2.443
158 HE3 LYS 24 1HE LYS 24 -0.948 12.569 4.087
159 HZ1 LYS 24 3HZ LYS 24 1.514 12.124 2.485
160 HZ2 LYS 24 1HZ LYS 24 1.513 12.567 4.123
161 HZ3 LYS 24 2HZ LYS 24 0.860 13.612 2.960
162 H GLN 25 H GLN 25 -2.044 5.589 3.787
163 HA GLN 25 HA GLN 25 -1.130 4.094 5.977
164 HB2 GLN 25 2HB GLN 25 -2.615 3.261 3.485
165 HB3 GLN 25 1HB GLN 25 -2.288 2.163 4.817
166 HG2 GLN 25 2HG GLN 25 -3.593 3.543 6.316
167 HG3 GLN 25 1HG GLN 25 -3.857 4.721 5.031
168 HE21 GLN 25 1HE2 GLN 25 -5.750 3.103 6.612
169 HE22 GLN 25 2HE2 GLN 25 -6.709 2.248 5.448
170 H LEU 26 H LEU 26 -0.121 4.215 2.635
171 HA LEU 26 HA LEU 26 1.513 1.902 2.631
172 HB2 LEU 26 2HB LEU 26 0.698 2.939 0.579
173 HB3 LEU 26 1HB LEU 26 1.583 4.405 0.942
174 HG LEU 26 HG LEU 26 3.701 3.033 0.791
175 HD11 LEU 26 1HD1 LEU 26 1.796 1.035 -0.421
176 HD12 LEU 26 2HD1 LEU 26 2.704 0.834 1.078
177 HD13 LEU 26 3HD1 LEU 26 3.556 0.937 -0.462
178 HD21 LEU 26 3HD2 LEU 26 1.976 3.274 -1.672
179 HD22 LEU 26 1HD2 LEU 26 3.729 3.090 -1.655
180 HD23 LEU 26 2HD2 LEU 26 2.990 4.543 -0.983
181 H ILE 27 H ILE 27 2.243 5.364 2.946
182 HA ILE 27 HA ILE 27 5.013 5.083 3.252
183 HB ILE 27 HB ILE 27 3.185 7.301 4.179
184 HG12 ILE 27 2HG1 ILE 27 4.957 7.013 1.740
185 HG13 ILE 27 1HG1 ILE 27 3.200 6.893 1.753
186 HG21 ILE 27 1HG2 ILE 27 6.192 7.293 3.950
187 HG22 ILE 27 2HG2 ILE 27 5.265 7.359 5.449
188 HG23 ILE 27 3HG2 ILE 27 5.191 8.700 4.305
189 HD11 ILE 27 3HD1 ILE 27 4.805 9.346 2.433
190 HD12 ILE 27 1HD1 ILE 27 3.047 9.231 2.428
191 HD13 ILE 27 2HD1 ILE 27 3.945 9.049 0.921
192 H ARG 28 H ARG 28 2.426 5.252 5.677
193 HA ARG 28 HA ARG 28 3.957 5.420 7.981
194 HB2 ARG 28 2HB ARG 28 1.314 4.065 7.463
195 HB3 ARG 28 1HB ARG 28 2.019 4.168 9.070
196 HG2 ARG 28 2HG ARG 28 1.950 6.578 8.994
197 HG3 ARG 28 1HG ARG 28 1.360 6.535 7.330
198 HD2 ARG 28 2HD ARG 28 -0.451 6.939 8.933
199 HD3 ARG 28 1HD ARG 28 -0.671 5.428 8.056
200 HE ARG 28 HE ARG 28 0.629 4.694 10.353
201 HH11 ARG 28 1HH1 ARG 28 -2.342 6.419 9.643
202 HH12 ARG 28 2HH1 ARG 28 -3.143 5.889 11.083
203 HH21 ARG 28 1HH2 ARG 28 -0.412 4.003 12.247
204 HH22 ARG 28 2HH2 ARG 28 -2.037 4.517 12.581
205 H HIS 29 H HIS 29 2.922 2.498 6.252
206 HA HIS 29 HA HIS 29 4.175 0.774 8.181
207 HB2 HIS 29 2HB HIS 29 2.131 0.070 7.096
208 HB3 HIS 29 1HB HIS 29 2.872 0.217 5.512
209 HD1 HIS 29 1HD HIS 29 3.726 -1.805 8.679
210 HD2 HIS 29 2HD HIS 29 3.405 -2.168 4.547
211 HE1 HIS 29 1HE HIS 29 4.281 -4.218 8.119
212 H LEU 30 H LEU 30 4.824 1.571 4.756
213 HA LEU 30 HA LEU 30 7.170 0.203 4.393
214 HB2 LEU 30 2HB LEU 30 6.028 2.695 3.283
215 HB3 LEU 30 1HB LEU 30 7.730 2.411 2.989
216 HG LEU 30 HG LEU 30 6.218 1.641 1.151
217 HD11 LEU 30 1HD1 LEU 30 7.861 -0.478 2.532
218 HD12 LEU 30 2HD1 LEU 30 8.449 0.722 1.383
219 HD13 LEU 30 3HD1 LEU 30 7.329 -0.531 0.850
220 HD21 LEU 30 3HD2 LEU 30 5.378 -0.433 3.175
221 HD22 LEU 30 1HD2 LEU 30 4.963 -0.430 1.462
222 HD23 LEU 30 2HD2 LEU 30 4.358 0.845 2.517
223 H VAL 31 H VAL 31 6.878 3.505 5.717
224 HA VAL 31 HA VAL 31 9.696 3.805 5.974
225 HB VAL 31 HB VAL 31 7.451 5.411 7.204
226 HG11 VAL 31 1HG1 VAL 31 9.494 5.653 8.518
227 HG12 VAL 31 2HG1 VAL 31 9.127 7.134 7.631
228 HG13 VAL 31 3HG1 VAL 31 10.395 6.051 7.054
229 HG21 VAL 31 3HG2 VAL 31 8.009 7.030 5.448
230 HG22 VAL 31 1HG2 VAL 31 7.499 5.482 4.777
231 HG23 VAL 31 2HG2 VAL 31 9.209 5.911 4.806
232 H ASN 32 H ASN 32 7.132 3.118 8.341
233 HA ASN 32 HA ASN 32 9.003 3.141 10.523
234 HB2 ASN 32 2HB ASN 32 6.731 3.874 10.925
235 HB3 ASN 32 1HB ASN 32 6.098 2.311 10.411
236 HD21 ASN 32 1HD2 ASN 32 6.201 0.561 11.809
237 HD22 ASN 32 2HD2 ASN 32 6.658 0.721 13.474
238 H THR 33 H THR 33 7.041 0.589 8.999
239 HA THR 33 HA THR 33 8.214 -1.380 10.759
240 HB THR 33 HB THR 33 6.275 -1.842 8.497
241 HG1 THR 33 1HG THR 33 4.847 -1.821 10.590
242 HG21 THR 33 3HG2 THR 33 7.368 -3.844 9.416
243 HG22 THR 33 1HG2 THR 33 5.646 -3.810 9.793
244 HG23 THR 33 2HG2 THR 33 6.827 -3.390 11.031
245 H GLU 34 H GLU 34 8.128 -0.796 7.230
246 HA GLU 34 HA GLU 34 9.826 -3.061 6.721
247 HB2 GLU 34 2HB GLU 34 9.455 -0.863 4.728
248 HB3 GLU 34 1HB GLU 34 9.596 -2.591 4.459
249 HG2 GLU 34 2HG GLU 34 7.198 -1.265 5.694
250 HG3 GLU 34 1HG GLU 34 7.361 -1.632 3.980
251 H LYS 35 H LYS 35 10.318 0.072 7.783
252 HA LYS 35 HA LYS 35 12.133 1.284 8.349
253 HB2 LYS 35 2HB LYS 35 14.095 0.245 8.821
254 HB3 LYS 35 1HB LYS 35 13.119 -1.193 8.577
255 HG2 LYS 35 2HG LYS 35 13.943 -1.202 6.191
256 HG3 LYS 35 1HG LYS 35 15.081 0.057 6.669
257 HD2 LYS 35 2HD LYS 35 16.183 -2.078 6.766
258 HD3 LYS 35 1HD LYS 35 15.961 -1.474 8.410
259 HE2 LYS 35 2HE LYS 35 15.430 -3.853 8.258
260 HE3 LYS 35 1HE LYS 35 14.007 -2.905 8.686
261 HZ1 LYS 35 3HZ LYS 35 13.330 -2.994 6.336
262 HZ2 LYS 35 1HZ LYS 35 13.441 -4.538 7.034
263 HZ3 LYS 35 2HZ LYS 35 14.659 -3.988 5.994
264 H VAL 36 H VAL 36 11.000 0.953 5.491
265 HA VAL 36 HA VAL 36 13.178 1.702 3.771
266 HB VAL 36 HB VAL 36 10.199 1.671 3.265
267 HG11 VAL 36 1HG1 VAL 36 12.507 1.883 1.339
268 HG12 VAL 36 2HG1 VAL 36 11.331 3.145 1.706
269 HG13 VAL 36 3HG1 VAL 36 10.816 1.671 0.889
270 HG21 VAL 36 3HG2 VAL 36 11.041 -0.533 3.804
271 HG22 VAL 36 1HG2 VAL 36 12.348 -0.346 2.633
272 HG23 VAL 36 2HG2 VAL 36 10.675 -0.436 2.080
273 H ASN 37 H ASN 37 13.843 3.679 3.273
274 HA ASN 37 HA ASN 37 12.805 6.012 4.514
275 HB2 ASN 37 2HB ASN 37 15.160 5.821 3.855
276 HB3 ASN 37 1HB ASN 37 14.693 5.696 2.164
277 HD21 ASN 37 1HD2 ASN 37 14.976 7.820 4.914
278 HD22 ASN 37 2HD2 ASN 37 14.865 9.305 4.025
279 HA PRO 38 HA PRO 38 9.315 7.064 2.062
280 HB2 PRO 38 2HB PRO 38 10.323 9.858 2.274
281 HB3 PRO 38 1HB PRO 38 8.735 9.199 2.680
282 HG2 PRO 38 2HG PRO 38 10.477 9.815 4.592
283 HG3 PRO 38 1HG PRO 38 9.459 8.368 4.721
284 HD2 PRO 38 2HD PRO 38 12.351 8.602 4.023
285 HD3 PRO 38 1HD PRO 38 11.514 7.354 4.967
286 H LEU 39 H LEU 39 12.487 8.196 1.071
287 HA LEU 39 HA LEU 39 11.524 8.971 -1.556
288 HB2 LEU 39 2HB LEU 39 14.231 8.959 -0.253
289 HB3 LEU 39 1HB LEU 39 14.066 9.197 -1.980
290 HG LEU 39 HG LEU 39 14.295 11.339 -0.935
291 HD11 LEU 39 1HD1 LEU 39 12.755 11.211 -2.815
292 HD12 LEU 39 2HD1 LEU 39 12.262 12.450 -1.663
293 HD13 LEU 39 3HD1 LEU 39 11.416 10.903 -1.709
294 HD21 LEU 39 3HD2 LEU 39 13.613 10.757 1.324
295 HD22 LEU 39 1HD2 LEU 39 11.939 10.587 0.794
296 HD23 LEU 39 2HD2 LEU 39 12.723 12.169 0.750
297 H SER 40 H SER 40 12.456 6.122 -0.033
298 HA SER 40 HA SER 40 13.285 4.888 -2.574
299 HB2 SER 40 2HB SER 40 13.785 3.978 0.269
300 HB3 SER 40 1HB SER 40 14.345 3.149 -1.183
301 HG SER 40 HG SER 40 16.002 4.430 -0.392
302 H ILE 41 H ILE 41 10.602 5.201 -0.683
303 HA ILE 41 HA ILE 41 9.625 2.645 -0.238
304 HB ILE 41 HB ILE 41 7.331 3.611 -0.435
305 HG12 ILE 41 2HG1 ILE 41 8.812 6.177 -1.060
306 HG13 ILE 41 1HG1 ILE 41 7.829 5.268 -2.204
307 HG21 ILE 41 1HG2 ILE 41 7.545 5.113 1.487
308 HG22 ILE 41 2HG2 ILE 41 9.293 5.160 1.242
309 HG23 ILE 41 3HG2 ILE 41 8.503 3.641 1.678
310 HD11 ILE 41 3HD1 ILE 41 6.595 7.161 -1.352
311 HD12 ILE 41 1HD1 ILE 41 6.858 6.622 0.305
312 HD13 ILE 41 2HD1 ILE 41 5.859 5.663 -0.787
313 H ASP 42 H ASP 42 9.740 4.468 -3.198
314 HA ASP 42 HA ASP 42 7.816 3.199 -4.737
315 HB2 ASP 42 2HB ASP 42 8.952 5.243 -5.430
316 HB3 ASP 42 1HB ASP 42 10.472 4.370 -5.586
317 H TYR 43 H TYR 43 10.994 2.087 -3.837
318 HA TYR 43 HA TYR 43 11.107 0.076 -5.908
319 HB2 TYR 43 2HB TYR 43 12.881 0.563 -3.509
320 HB3 TYR 43 1HB TYR 43 13.200 -0.621 -4.770
321 HD1 TYR 43 2HD TYR 43 13.077 2.968 -3.970
322 HD2 TYR 43 1HD TYR 43 14.060 0.056 -6.918
323 HE1 TYR 43 2HE TYR 43 14.302 4.677 -5.247
324 HE2 TYR 43 1HE TYR 43 15.290 1.759 -8.194
325 HH TYR 43 HH TYR 43 16.129 4.769 -6.901
326 H TYR 44 H TYR 44 9.781 0.266 -2.746
327 HA TYR 44 HA TYR 44 9.917 -2.667 -2.483
328 HB2 TYR 44 2HB TYR 44 9.812 -0.656 -0.232
329 HB3 TYR 44 1HB TYR 44 9.971 -2.407 -0.071
330 HD1 TYR 44 1HD TYR 44 11.652 0.691 -0.965
331 HD2 TYR 44 2HD TYR 44 12.063 -3.522 -0.624
332 HE1 TYR 44 1HE TYR 44 14.064 0.924 -1.201
333 HE2 TYR 44 2HE TYR 44 14.500 -3.304 -0.841
334 HH TYR 44 HH TYR 44 16.106 -1.631 -1.876
335 H TYR 45 H TYR 45 7.851 -0.432 -3.369
336 HA TYR 45 HA TYR 45 5.650 -2.044 -2.260
337 HB2 TYR 45 2HB TYR 45 4.267 -0.253 -1.864
338 HB3 TYR 45 1HB TYR 45 5.824 0.457 -1.476
339 HD1 TYR 45 1HD TYR 45 3.108 0.352 -3.975
340 HD2 TYR 45 2HD TYR 45 6.696 2.287 -2.763
341 HE1 TYR 45 1HE TYR 45 2.643 2.184 -5.546
342 HE2 TYR 45 2HE TYR 45 6.240 4.124 -4.328
343 HH TYR 45 HH TYR 45 4.988 4.570 -6.343
344 H GLN 46 H GLN 46 3.961 -2.564 -3.611
345 HA GLN 46 HA GLN 46 4.293 -1.825 -6.444
346 HB2 GLN 46 2HB GLN 46 4.879 -4.179 -6.148
347 HB3 GLN 46 1HB GLN 46 3.362 -4.475 -5.313
348 HG2 GLN 46 2HG GLN 46 3.150 -5.308 -7.524
349 HG3 GLN 46 1HG GLN 46 2.162 -3.854 -7.403
350 HE21 GLN 46 1HE2 GLN 46 3.225 -5.132 -9.757
351 HE22 GLN 46 2HE2 GLN 46 4.221 -3.963 -10.556
352 H SER 47 H SER 47 2.551 -0.928 -7.360
353 HA SER 47 HA SER 47 0.128 -0.759 -5.723
354 HB2 SER 47 2HB SER 47 -0.429 1.173 -7.231
355 HB3 SER 47 1HB SER 47 1.037 1.393 -6.277
356 HG SER 47 HG SER 47 2.209 0.673 -8.179
357 H PHE 48 H PHE 48 -1.844 -1.383 -6.454
358 HA PHE 48 HA PHE 48 -2.055 -2.395 -9.206
359 HB2 PHE 48 2HB PHE 48 -1.724 -4.359 -7.818
360 HB3 PHE 48 1HB PHE 48 -2.955 -3.814 -6.686
361 HD1 PHE 48 2HD PHE 48 -2.511 -4.787 -10.251
362 HD2 PHE 48 1HD PHE 48 -5.122 -4.576 -6.897
363 HE1 PHE 48 2HE PHE 48 -4.215 -6.047 -11.502
364 HE2 PHE 48 1HE PHE 48 -6.830 -5.833 -8.142
365 HZ PHE 48 HZ PHE 48 -6.379 -6.572 -10.443
366 H SER 49 H SER 49 -3.941 -1.866 -10.202
367 HA SER 49 HA SER 49 -5.798 -0.219 -8.651
368 HB2 SER 49 2HB SER 49 -6.633 0.494 -10.900
369 HB3 SER 49 1HB SER 49 -4.921 0.841 -10.648
370 HG SER 49 HG SER 49 -5.648 -1.601 -11.822
371 H VAL 50 H VAL 50 -7.816 -0.888 -8.187
372 HA VAL 50 HA VAL 50 -8.625 -3.516 -9.155
373 HB VAL 50 HB VAL 50 -10.312 -3.527 -7.478
374 HG11 VAL 50 1HG1 VAL 50 -7.843 -2.218 -6.355
375 HG12 VAL 50 2HG1 VAL 50 -8.101 -3.946 -6.603
376 HG13 VAL 50 3HG1 VAL 50 -9.062 -3.070 -5.409
377 HG21 VAL 50 3HG2 VAL 50 -10.866 -1.606 -6.081
378 HG22 VAL 50 1HG2 VAL 50 -11.181 -1.274 -7.784
379 HG23 VAL 50 2HG2 VAL 50 -9.745 -0.607 -7.006
380 H SER 51 H SER 51 -10.762 -3.835 -10.096
381 HA SER 51 HA SER 51 -11.274 -1.609 -11.928
382 HB2 SER 51 2HB SER 51 -12.149 -4.494 -12.164
383 HB3 SER 51 1HB SER 51 -12.184 -3.268 -13.432
384 HG SER 51 HG SER 51 -10.275 -4.028 -13.895
Start of MODEL 8
1 HA MET 7 HA MET 7 -11.576 2.660 -9.891
2 HB2 MET 7 2HB MET 7 -13.599 1.264 -8.132
3 HB3 MET 7 1HB MET 7 -13.380 3.008 -8.163
4 HG2 MET 7 2HG MET 7 -13.963 3.036 -10.536
5 HG3 MET 7 1HG MET 7 -14.194 1.290 -10.494
6 HE1 MET 7 2HE MET 7 -16.790 4.180 -7.997
7 HE2 MET 7 3HE MET 7 -15.459 4.734 -9.011
8 HE3 MET 7 1HE MET 7 -15.130 3.738 -7.592
9 H GLU 8 H GLU 8 -10.239 0.223 -8.075
10 HA GLU 8 HA GLU 8 -9.695 2.011 -5.797
11 HB2 GLU 8 2HB GLU 8 -9.412 -0.987 -5.774
12 HB3 GLU 8 1HB GLU 8 -9.477 0.104 -4.400
13 HG2 GLU 8 2HG GLU 8 -11.769 -0.452 -6.267
14 HG3 GLU 8 1HG GLU 8 -11.526 -1.224 -4.703
15 H ARG 9 H ARG 9 -7.720 2.885 -5.945
16 HA ARG 9 HA ARG 9 -5.529 1.288 -7.039
17 HB2 ARG 9 2HB ARG 9 -5.910 4.191 -6.464
18 HB3 ARG 9 1HB ARG 9 -4.274 3.547 -6.435
19 HG2 ARG 9 2HG ARG 9 -4.536 2.741 -8.714
20 HG3 ARG 9 1HG ARG 9 -6.190 3.353 -8.747
21 HD2 ARG 9 2HD ARG 9 -3.793 5.099 -8.222
22 HD3 ARG 9 1HD ARG 9 -4.453 4.822 -9.836
23 HE ARG 9 HE ARG 9 -6.583 5.761 -8.911
24 HH11 ARG 9 1HH1 ARG 9 -3.485 6.630 -7.508
25 HH12 ARG 9 2HH1 ARG 9 -4.037 8.174 -6.937
26 HH21 ARG 9 1HH2 ARG 9 -7.310 7.766 -8.172
27 HH22 ARG 9 2HH2 ARG 9 -6.226 8.822 -7.305
28 H VAL 10 H VAL 10 -4.862 -0.150 -5.594
29 HA VAL 10 HA VAL 10 -4.521 0.686 -2.808
30 HB VAL 10 HB VAL 10 -4.091 -1.893 -2.563
31 HG11 VAL 10 1HG1 VAL 10 -6.873 -0.843 -3.070
32 HG12 VAL 10 2HG1 VAL 10 -5.957 -0.606 -1.581
33 HG13 VAL 10 3HG1 VAL 10 -6.424 -2.234 -2.075
34 HG21 VAL 10 3HG2 VAL 10 -4.099 -2.341 -4.989
35 HG22 VAL 10 1HG2 VAL 10 -5.782 -1.818 -5.067
36 HG23 VAL 10 2HG2 VAL 10 -5.345 -3.251 -4.134
37 H TYR 11 H TYR 11 -2.603 0.328 -1.706
38 HA TYR 11 HA TYR 11 -0.229 -0.044 -3.422
39 HB2 TYR 11 2HB TYR 11 -0.364 1.403 -0.766
40 HB3 TYR 11 1HB TYR 11 0.979 1.383 -1.899
41 HD1 TYR 11 2HD TYR 11 0.894 2.727 -3.945
42 HD2 TYR 11 1HD TYR 11 -2.244 2.866 -1.083
43 HE1 TYR 11 2HE TYR 11 0.080 4.815 -4.953
44 HE2 TYR 11 1HE TYR 11 -3.068 4.961 -2.075
45 HH TYR 11 HH TYR 11 -1.945 6.138 -5.100
46 H GLN 12 H GLN 12 0.840 -1.915 -3.036
47 HA GLN 12 HA GLN 12 0.482 -3.115 -0.369
48 HB2 GLN 12 2HB GLN 12 0.972 -5.310 -1.467
49 HB3 GLN 12 1HB GLN 12 -0.530 -4.558 -1.975
50 HG2 GLN 12 2HG GLN 12 0.524 -3.798 -4.030
51 HG3 GLN 12 1HG GLN 12 2.053 -4.510 -3.516
52 HE21 GLN 12 1HE2 GLN 12 -1.010 -6.053 -2.900
53 HE22 GLN 12 2HE2 GLN 12 -0.805 -7.356 -4.024
54 H CYS 13 H CYS 13 2.212 -3.598 0.819
55 HA CYS 13 HA CYS 13 4.795 -2.697 -0.096
56 HB2 CYS 13 2HB CYS 13 5.497 -2.921 2.148
57 HB3 CYS 13 1HB CYS 13 3.790 -2.546 2.300
58 H LEU 14 H LEU 14 6.501 -3.997 -0.757
59 HA LEU 14 HA LEU 14 5.734 -6.611 -1.688
60 HB2 LEU 14 2HB LEU 14 8.298 -5.048 -1.917
61 HB3 LEU 14 1HB LEU 14 8.064 -6.630 -2.635
62 HG LEU 14 HG LEU 14 6.434 -4.172 -3.295
63 HD11 LEU 14 1HD1 LEU 14 8.731 -3.965 -4.074
64 HD12 LEU 14 2HD1 LEU 14 7.623 -4.205 -5.423
65 HD13 LEU 14 3HD1 LEU 14 8.619 -5.544 -4.852
66 HD21 LEU 14 3HD2 LEU 14 6.494 -6.915 -4.548
67 HD22 LEU 14 1HD2 LEU 14 5.560 -5.535 -5.125
68 HD23 LEU 14 2HD2 LEU 14 5.192 -6.258 -3.559
69 H ARG 15 H ARG 15 6.489 -5.783 1.258
70 HA ARG 15 HA ARG 15 8.309 -8.013 1.803
71 HB2 ARG 15 2HB ARG 15 9.056 -6.108 2.928
72 HB3 ARG 15 1HB ARG 15 7.430 -5.604 3.358
73 HG2 ARG 15 2HG ARG 15 8.440 -6.321 5.352
74 HG3 ARG 15 1HG ARG 15 7.326 -7.605 4.874
75 HD2 ARG 15 2HD ARG 15 10.210 -7.730 4.054
76 HD3 ARG 15 1HD ARG 15 9.740 -8.194 5.687
77 HE ARG 15 HE ARG 15 8.058 -9.668 4.244
78 HH11 ARG 15 1HH1 ARG 15 11.481 -9.103 3.746
79 HH12 ARG 15 2HH1 ARG 15 11.787 -10.709 3.151
80 HH21 ARG 15 1HH2 ARG 15 8.449 -11.769 3.436
81 HH22 ARG 15 2HH2 ARG 15 10.067 -12.214 2.953
82 H CYS 16 H CYS 16 5.269 -6.679 3.147
83 HA CYS 16 HA CYS 16 4.752 -9.322 4.317
84 HB2 CYS 16 2HB CYS 16 3.069 -6.917 4.921
85 HB3 CYS 16 1HB CYS 16 3.477 -8.279 5.956
86 H GLY 17 H GLY 17 3.876 -7.385 1.711
87 HA2 GLY 17 2HA GLY 17 2.332 -7.742 0.042
88 HA3 GLY 17 1HA GLY 17 1.764 -9.159 0.918
89 H LEU 18 H LEU 18 1.904 -6.427 2.890
90 HA LEU 18 HA LEU 18 -0.939 -6.392 3.199
91 HB2 LEU 18 2HB LEU 18 1.163 -4.490 4.241
92 HB3 LEU 18 1HB LEU 18 -0.523 -4.473 4.721
93 HG LEU 18 HG LEU 18 1.445 -6.707 5.225
94 HD11 LEU 18 1HD1 LEU 18 1.817 -4.762 6.629
95 HD12 LEU 18 2HD1 LEU 18 1.149 -6.095 7.573
96 HD13 LEU 18 3HD1 LEU 18 0.114 -4.751 7.087
97 HD21 LEU 18 3HD2 LEU 18 -0.781 -7.611 4.835
98 HD22 LEU 18 1HD2 LEU 18 -1.468 -6.460 5.980
99 HD23 LEU 18 2HD2 LEU 18 -0.370 -7.718 6.547
100 H THR 19 H THR 19 -2.443 -5.151 2.258
101 HA THR 19 HA THR 19 -1.496 -3.163 0.305
102 HB THR 19 HB THR 19 -4.279 -4.149 0.094
103 HG1 THR 19 1HG THR 19 -3.376 -6.150 0.444
104 HG21 THR 19 3HG2 THR 19 -3.713 -4.154 -2.285
105 HG22 THR 19 1HG2 THR 19 -2.033 -3.788 -1.889
106 HG23 THR 19 2HG2 THR 19 -3.300 -2.613 -1.533
107 H PHE 20 H PHE 20 -2.196 -1.123 0.412
108 HA PHE 20 HA PHE 20 -4.282 -0.445 2.390
109 HB2 PHE 20 2HB PHE 20 -2.065 1.435 1.591
110 HB3 PHE 20 1HB PHE 20 -3.091 1.493 3.021
111 HD1 PHE 20 1HD PHE 20 -2.671 -0.016 4.909
112 HD2 PHE 20 2HD PHE 20 -0.109 0.103 1.517
113 HE1 PHE 20 1HE PHE 20 -0.937 -1.218 6.178
114 HE2 PHE 20 2HE PHE 20 1.624 -1.086 2.769
115 HZ PHE 20 HZ PHE 20 1.216 -1.753 5.109
116 H ARG 21 H ARG 21 -5.654 1.324 1.823
117 HA ARG 21 HA ARG 21 -5.838 1.709 -1.089
118 HB2 ARG 21 2HB ARG 21 -7.746 0.819 0.527
119 HB3 ARG 21 1HB ARG 21 -8.000 2.537 0.801
120 HG2 ARG 21 2HG ARG 21 -8.537 2.917 -1.465
121 HG3 ARG 21 1HG ARG 21 -7.945 1.323 -1.945
122 HD2 ARG 21 2HD ARG 21 -10.393 1.972 -0.311
123 HD3 ARG 21 1HD ARG 21 -10.325 1.200 -1.896
124 HE ARG 21 HE ARG 21 -9.108 -0.118 0.439
125 HH11 ARG 21 1HH1 ARG 21 -11.491 -0.114 -2.146
126 HH12 ARG 21 2HH1 ARG 21 -11.930 -1.778 -1.888
127 HH21 ARG 21 1HH2 ARG 21 -9.664 -2.279 0.747
128 HH22 ARG 21 2HH2 ARG 21 -10.871 -3.026 -0.257
129 H THR 22 H THR 22 -4.468 3.133 1.420
130 HA THR 22 HA THR 22 -4.762 5.822 0.296
131 HB THR 22 HB THR 22 -4.486 6.634 2.741
132 HG1 THR 22 1HG THR 22 -5.488 3.982 3.133
133 HG21 THR 22 3HG2 THR 22 -6.909 6.660 3.083
134 HG22 THR 22 1HG2 THR 22 -7.102 5.409 1.854
135 HG23 THR 22 2HG2 THR 22 -6.504 7.007 1.402
136 H LYS 23 H LYS 23 -2.893 6.981 0.200
137 HA LYS 23 HA LYS 23 -0.522 5.431 0.080
138 HB2 LYS 23 2HB LYS 23 -1.125 7.331 -1.440
139 HB3 LYS 23 1HB LYS 23 -0.763 8.430 -0.118
140 HG2 LYS 23 2HG LYS 23 1.545 7.588 -0.074
141 HG3 LYS 23 1HG LYS 23 1.170 6.540 -1.443
142 HD2 LYS 23 2HD LYS 23 0.882 9.538 -1.494
143 HD3 LYS 23 1HD LYS 23 2.328 8.687 -2.033
144 HE2 LYS 23 2HE LYS 23 1.100 9.101 -3.988
145 HE3 LYS 23 1HE LYS 23 0.794 7.408 -3.612
146 HZ1 LYS 23 3HZ LYS 23 -1.356 7.911 -2.840
147 HZ2 LYS 23 1HZ LYS 23 -1.186 8.790 -4.276
148 HZ3 LYS 23 2HZ LYS 23 -1.050 9.578 -2.784
149 H LYS 24 H LYS 24 -1.781 7.711 2.430
150 HA LYS 24 HA LYS 24 0.584 8.185 3.870
151 HB2 LYS 24 2HB LYS 24 -2.293 8.118 4.781
152 HB3 LYS 24 1HB LYS 24 -0.964 8.644 5.806
153 HG2 LYS 24 2HG LYS 24 -0.462 10.442 4.235
154 HG3 LYS 24 1HG LYS 24 -1.791 9.910 3.201
155 HD2 LYS 24 2HD LYS 24 -3.385 10.368 4.974
156 HD3 LYS 24 1HD LYS 24 -2.074 10.827 6.062
157 HE2 LYS 24 2HE LYS 24 -1.485 12.667 4.539
158 HE3 LYS 24 1HE LYS 24 -2.838 12.219 3.499
159 HZ1 LYS 24 3HZ LYS 24 -3.090 13.041 6.341
160 HZ2 LYS 24 1HZ LYS 24 -4.365 12.721 5.267
161 HZ3 LYS 24 2HZ LYS 24 -3.362 14.062 5.013
162 H GLN 25 H GLN 25 -1.891 5.677 4.242
163 HA GLN 25 HA GLN 25 -0.711 4.400 6.454
164 HB2 GLN 25 2HB GLN 25 -2.749 3.610 4.406
165 HB3 GLN 25 1HB GLN 25 -2.144 2.421 5.549
166 HG2 GLN 25 2HG GLN 25 -4.286 3.577 6.168
167 HG3 GLN 25 1HG GLN 25 -3.020 3.588 7.390
168 HE21 GLN 25 1HE2 GLN 25 -4.793 5.496 5.069
169 HE22 GLN 25 2HE2 GLN 25 -4.371 7.037 5.737
170 H LEU 26 H LEU 26 -0.118 4.218 3.044
171 HA LEU 26 HA LEU 26 1.408 1.829 3.036
172 HB2 LEU 26 2HB LEU 26 0.587 2.666 0.955
173 HB3 LEU 26 1HB LEU 26 1.323 4.234 1.222
174 HG LEU 26 HG LEU 26 3.568 3.020 1.115
175 HD11 LEU 26 1HD1 LEU 26 2.717 0.754 1.381
176 HD12 LEU 26 2HD1 LEU 26 3.603 0.935 -0.132
177 HD13 LEU 26 3HD1 LEU 26 1.839 0.897 -0.144
178 HD21 LEU 26 3HD2 LEU 26 3.588 3.105 -1.336
179 HD22 LEU 26 1HD2 LEU 26 2.777 4.504 -0.630
180 HD23 LEU 26 2HD2 LEU 26 1.826 3.199 -1.339
181 H ILE 27 H ILE 27 2.264 5.261 3.186
182 HA ILE 27 HA ILE 27 5.048 4.837 3.242
183 HB ILE 27 HB ILE 27 3.424 7.237 4.090
184 HG12 ILE 27 2HG1 ILE 27 4.967 6.606 1.560
185 HG13 ILE 27 1HG1 ILE 27 3.215 6.592 1.723
186 HG21 ILE 27 1HG2 ILE 27 6.400 7.020 3.627
187 HG22 ILE 27 2HG2 ILE 27 5.611 7.282 5.181
188 HG23 ILE 27 3HG2 ILE 27 5.513 8.514 3.923
189 HD11 ILE 27 3HD1 ILE 27 3.970 8.601 0.616
190 HD12 ILE 27 1HD1 ILE 27 5.003 8.996 1.990
191 HD13 ILE 27 2HD1 ILE 27 3.250 8.995 2.178
192 H ARG 28 H ARG 28 2.708 5.405 5.879
193 HA ARG 28 HA ARG 28 4.604 5.564 7.942
194 HB2 ARG 28 2HB ARG 28 2.751 4.987 9.468
195 HB3 ARG 28 1HB ARG 28 2.320 6.243 8.319
196 HG2 ARG 28 2HG ARG 28 1.083 4.659 6.988
197 HG3 ARG 28 1HG ARG 28 1.583 3.340 8.046
198 HD2 ARG 28 2HD ARG 28 0.044 5.725 9.033
199 HD3 ARG 28 1HD ARG 28 -0.744 4.275 8.415
200 HE ARG 28 HE ARG 28 0.877 3.239 10.267
201 HH11 ARG 28 1HH1 ARG 28 -1.258 6.030 10.429
202 HH12 ARG 28 2HH1 ARG 28 -1.633 5.781 12.108
203 HH21 ARG 28 1HH2 ARG 28 0.370 2.927 12.452
204 HH22 ARG 28 2HH2 ARG 28 -0.708 4.030 13.261
205 H HIS 29 H HIS 29 3.189 2.790 6.336
206 HA HIS 29 HA HIS 29 4.242 0.915 8.259
207 HB2 HIS 29 2HB HIS 29 2.163 0.379 7.143
208 HB3 HIS 29 1HB HIS 29 2.922 0.536 5.563
209 HD1 HIS 29 1HD HIS 29 3.686 -1.596 8.667
210 HD2 HIS 29 2HD HIS 29 3.349 -1.869 4.530
211 HE1 HIS 29 1HE HIS 29 4.188 -4.007 8.056
212 H LEU 30 H LEU 30 4.935 1.730 4.851
213 HA LEU 30 HA LEU 30 7.204 0.270 4.436
214 HB2 LEU 30 2HB LEU 30 6.178 2.843 3.423
215 HB3 LEU 30 1HB LEU 30 7.882 2.534 3.153
216 HG LEU 30 HG LEU 30 6.301 1.875 1.276
217 HD11 LEU 30 1HD1 LEU 30 8.588 1.063 1.384
218 HD12 LEU 30 2HD1 LEU 30 7.510 -0.204 0.798
219 HD13 LEU 30 3HD1 LEU 30 8.092 -0.241 2.462
220 HD21 LEU 30 3HD2 LEU 30 5.624 -0.323 3.226
221 HD22 LEU 30 1HD2 LEU 30 5.200 -0.313 1.514
222 HD23 LEU 30 2HD2 LEU 30 4.522 0.904 2.598
223 H VAL 31 H VAL 31 7.037 3.447 6.040
224 HA VAL 31 HA VAL 31 9.847 3.596 6.472
225 HB VAL 31 HB VAL 31 7.586 5.083 7.823
226 HG11 VAL 31 1HG1 VAL 31 10.556 5.601 7.951
227 HG12 VAL 31 2HG1 VAL 31 9.533 5.056 9.281
228 HG13 VAL 31 3HG1 VAL 31 9.300 6.662 8.590
229 HG21 VAL 31 3HG2 VAL 31 9.496 5.897 5.634
230 HG22 VAL 31 1HG2 VAL 31 8.282 6.937 6.380
231 HG23 VAL 31 2HG2 VAL 31 7.781 5.533 5.438
232 H ASN 32 H ASN 32 7.128 2.649 8.563
233 HA ASN 32 HA ASN 32 8.751 2.404 10.889
234 HB2 ASN 32 2HB ASN 32 6.298 2.877 10.909
235 HB3 ASN 32 1HB ASN 32 6.017 1.211 10.414
236 HD21 ASN 32 1HD2 ASN 32 6.882 3.334 12.958
237 HD22 ASN 32 2HD2 ASN 32 6.876 2.165 14.241
238 H THR 33 H THR 33 7.159 -0.060 8.848
239 HA THR 33 HA THR 33 8.485 -2.132 10.403
240 HB THR 33 HB THR 33 6.543 -2.495 8.123
241 HG1 THR 33 1HG THR 33 6.071 -2.240 10.931
242 HG21 THR 33 3HG2 THR 33 6.125 -4.667 9.186
243 HG22 THR 33 1HG2 THR 33 7.334 -4.301 10.417
244 HG23 THR 33 2HG2 THR 33 7.821 -4.500 8.733
245 H GLU 34 H GLU 34 8.339 -1.063 6.998
246 HA GLU 34 HA GLU 34 10.125 -3.187 6.202
247 HB2 GLU 34 2HB GLU 34 9.625 -0.944 4.336
248 HB3 GLU 34 1HB GLU 34 9.591 -2.675 4.047
249 HG2 GLU 34 2HG GLU 34 7.432 -1.189 5.514
250 HG3 GLU 34 1HG GLU 34 7.419 -1.477 3.778
251 H LYS 35 H LYS 35 10.472 -0.097 7.479
252 HA LYS 35 HA LYS 35 12.260 1.125 8.120
253 HB2 LYS 35 2HB LYS 35 14.276 0.124 8.422
254 HB3 LYS 35 1HB LYS 35 13.359 -1.320 8.030
255 HG2 LYS 35 2HG LYS 35 14.108 -1.036 5.650
256 HG3 LYS 35 1HG LYS 35 15.173 0.251 6.213
257 HD2 LYS 35 2HD LYS 35 16.484 -1.722 6.089
258 HD3 LYS 35 1HD LYS 35 16.178 -1.424 7.799
259 HE2 LYS 35 2HE LYS 35 15.917 -3.789 7.249
260 HE3 LYS 35 1HE LYS 35 14.390 -3.080 7.778
261 HZ1 LYS 35 3HZ LYS 35 14.211 -4.544 5.800
262 HZ2 LYS 35 1HZ LYS 35 15.152 -3.433 4.925
263 HZ3 LYS 35 2HZ LYS 35 13.636 -2.970 5.534
264 H VAL 36 H VAL 36 11.015 1.118 5.308
265 HA VAL 36 HA VAL 36 13.181 2.072 3.634
266 HB VAL 36 HB VAL 36 10.243 1.691 3.039
267 HG11 VAL 36 1HG1 VAL 36 12.564 2.171 1.177
268 HG12 VAL 36 2HG1 VAL 36 11.256 3.301 1.523
269 HG13 VAL 36 3HG1 VAL 36 10.914 1.788 0.685
270 HG21 VAL 36 3HG2 VAL 36 10.991 -0.338 1.869
271 HG22 VAL 36 1HG2 VAL 36 11.333 -0.399 3.599
272 HG23 VAL 36 2HG2 VAL 36 12.629 -0.050 2.454
273 H ASN 37 H ASN 37 13.456 4.100 2.910
274 HA ASN 37 HA ASN 37 12.145 6.313 4.167
275 HB2 ASN 37 2HB ASN 37 13.940 6.250 1.725
276 HB3 ASN 37 1HB ASN 37 13.485 7.689 2.624
277 HD21 ASN 37 1HD2 ASN 37 13.725 6.389 5.215
278 HD22 ASN 37 2HD2 ASN 37 15.425 6.224 5.500
279 HA PRO 38 HA PRO 38 8.583 6.587 1.572
280 HB2 PRO 38 2HB PRO 38 8.259 9.328 1.594
281 HB3 PRO 38 1HB PRO 38 7.698 8.234 2.860
282 HG2 PRO 38 2HG PRO 38 10.168 9.911 2.751
283 HG3 PRO 38 1HG PRO 38 9.096 9.581 4.124
284 HD2 PRO 38 2HD PRO 38 11.461 8.344 3.857
285 HD3 PRO 38 1HD PRO 38 10.043 7.509 4.525
286 H LEU 39 H LEU 39 11.522 8.222 0.807
287 HA LEU 39 HA LEU 39 10.624 9.021 -1.833
288 HB2 LEU 39 2HB LEU 39 13.262 9.243 -0.397
289 HB3 LEU 39 1HB LEU 39 13.105 9.620 -2.100
290 HG LEU 39 HG LEU 39 13.030 11.670 -0.877
291 HD11 LEU 39 1HD1 LEU 39 11.528 11.525 -2.780
292 HD12 LEU 39 2HD1 LEU 39 10.855 12.558 -1.518
293 HD13 LEU 39 3HD1 LEU 39 10.244 10.918 -1.735
294 HD21 LEU 39 3HD2 LEU 39 10.799 10.455 0.744
295 HD22 LEU 39 1HD2 LEU 39 11.352 12.128 0.845
296 HD23 LEU 39 2HD2 LEU 39 12.431 10.812 1.310
297 H SER 40 H SER 40 11.907 6.267 -0.355
298 HA SER 40 HA SER 40 12.928 5.251 -2.924
299 HB2 SER 40 2HB SER 40 13.733 4.361 -0.143
300 HB3 SER 40 1HB SER 40 14.457 3.850 -1.668
301 HG SER 40 HG SER 40 14.962 6.149 -1.984
302 H ILE 41 H ILE 41 10.174 5.182 -1.591
303 HA ILE 41 HA ILE 41 9.699 2.490 -0.832
304 HB ILE 41 HB ILE 41 7.269 3.054 -1.197
305 HG12 ILE 41 2HG1 ILE 41 8.438 5.773 -1.840
306 HG13 ILE 41 1HG1 ILE 41 7.513 4.750 -2.935
307 HG21 ILE 41 1HG2 ILE 41 7.154 4.560 0.729
308 HG22 ILE 41 2HG2 ILE 41 8.879 4.898 0.564
309 HG23 ILE 41 3HG2 ILE 41 8.334 3.271 0.973
310 HD11 ILE 41 3HD1 ILE 41 6.147 6.558 -2.082
311 HD12 ILE 41 1HD1 ILE 41 6.483 6.058 -0.422
312 HD13 ILE 41 2HD1 ILE 41 5.549 5.007 -1.490
313 H ASP 42 H ASP 42 10.179 3.937 -3.844
314 HA ASP 42 HA ASP 42 8.483 2.703 -5.607
315 HB2 ASP 42 2HB ASP 42 11.382 3.460 -5.902
316 HB3 ASP 42 1HB ASP 42 10.436 2.825 -7.244
317 H TYR 43 H TYR 43 11.319 1.279 -4.077
318 HA TYR 43 HA TYR 43 11.140 -1.035 -5.841
319 HB2 TYR 43 2HB TYR 43 13.355 -0.055 -5.392
320 HB3 TYR 43 1HB TYR 43 13.159 -0.412 -3.679
321 HD1 TYR 43 2HD TYR 43 12.605 -2.378 -6.810
322 HD2 TYR 43 1HD TYR 43 14.547 -2.149 -3.032
323 HE1 TYR 43 2HE TYR 43 13.561 -4.611 -7.172
324 HE2 TYR 43 1HE TYR 43 15.503 -4.388 -3.386
325 HH TYR 43 HH TYR 43 15.197 -6.056 -6.452
326 H TYR 44 H TYR 44 10.131 -0.116 -2.698
327 HA TYR 44 HA TYR 44 9.984 -2.936 -1.860
328 HB2 TYR 44 2HB TYR 44 9.888 -0.459 -0.135
329 HB3 TYR 44 1HB TYR 44 9.919 -2.127 0.434
330 HD1 TYR 44 2HD TYR 44 11.881 0.514 -1.211
331 HD2 TYR 44 1HD TYR 44 11.965 -3.363 0.529
332 HE1 TYR 44 2HE TYR 44 14.322 0.570 -1.233
333 HE2 TYR 44 1HE TYR 44 14.422 -3.318 0.517
334 HH TYR 44 HH TYR 44 16.206 -0.506 -0.004
335 H TYR 45 H TYR 45 8.139 -0.418 -2.976
336 HA TYR 45 HA TYR 45 5.715 -1.717 -1.928
337 HB2 TYR 45 2HB TYR 45 4.889 0.244 -1.234
338 HB3 TYR 45 1HB TYR 45 6.472 0.944 -1.536
339 HD1 TYR 45 2HD TYR 45 3.049 0.568 -2.813
340 HD2 TYR 45 1HD TYR 45 6.849 2.359 -3.475
341 HE1 TYR 45 2HE TYR 45 2.047 2.068 -4.481
342 HE2 TYR 45 1HE TYR 45 5.856 3.866 -5.141
343 HH TYR 45 HH TYR 45 3.902 3.953 -6.616
344 H GLN 46 H GLN 46 4.061 -2.106 -3.338
345 HA GLN 46 HA GLN 46 4.599 -1.506 -6.172
346 HB2 GLN 46 2HB GLN 46 4.927 -3.903 -5.623
347 HB3 GLN 46 1HB GLN 46 3.276 -3.978 -5.035
348 HG2 GLN 46 2HG GLN 46 3.586 -4.920 -7.298
349 HG3 GLN 46 1HG GLN 46 2.405 -3.613 -7.232
350 HE21 GLN 46 1HE2 GLN 46 2.736 -1.804 -8.422
351 HE22 GLN 46 2HE2 GLN 46 4.091 -1.568 -9.471
352 H SER 47 H SER 47 3.030 -0.381 -7.150
353 HA SER 47 HA SER 47 0.569 0.126 -5.707
354 HB2 SER 47 2HB SER 47 0.132 1.701 -7.623
355 HB3 SER 47 1HB SER 47 1.630 2.032 -6.753
356 HG SER 47 HG SER 47 1.233 1.003 -9.330
357 H PHE 48 H PHE 48 -1.289 -0.902 -6.084
358 HA PHE 48 HA PHE 48 -1.433 -2.590 -8.493
359 HB2 PHE 48 2HB PHE 48 -1.243 -3.856 -6.346
360 HB3 PHE 48 1HB PHE 48 -2.740 -3.102 -5.810
361 HD1 PHE 48 2HD PHE 48 -1.271 -5.391 -8.304
362 HD2 PHE 48 1HD PHE 48 -4.842 -3.936 -6.499
363 HE1 PHE 48 2HE PHE 48 -2.546 -7.196 -9.381
364 HE2 PHE 48 1HE PHE 48 -6.123 -5.743 -7.574
365 HZ PHE 48 HZ PHE 48 -4.975 -7.374 -9.018
366 H SER 49 H SER 49 -3.145 -2.348 -9.774
367 HA SER 49 HA SER 49 -5.284 -0.566 -8.840
368 HB2 SER 49 2HB SER 49 -5.708 -0.294 -11.357
369 HB3 SER 49 1HB SER 49 -4.242 0.447 -10.715
370 HG SER 49 HG SER 49 -4.304 -2.147 -11.873
371 H VAL 50 H VAL 50 -7.235 -1.403 -8.573
372 HA VAL 50 HA VAL 50 -7.901 -3.868 -10.027
373 HB VAL 50 HB VAL 50 -7.573 -4.501 -7.730
374 HG11 VAL 50 1HG1 VAL 50 -9.467 -2.266 -7.037
375 HG12 VAL 50 2HG1 VAL 50 -7.766 -2.415 -6.589
376 HG13 VAL 50 3HG1 VAL 50 -8.958 -3.523 -5.910
377 HG21 VAL 50 3HG2 VAL 50 -9.796 -5.386 -7.158
378 HG22 VAL 50 1HG2 VAL 50 -9.405 -5.598 -8.865
379 HG23 VAL 50 2HG2 VAL 50 -10.514 -4.320 -8.368
380 H SER 51 H SER 51 -10.020 -4.020 -10.784
381 HA SER 51 HA SER 51 -11.167 -1.374 -11.254
382 HB2 SER 51 2HB SER 51 -10.501 -2.731 -13.214
383 HB3 SER 51 1HB SER 51 -11.614 -3.999 -12.705
384 HG SER 51 HG SER 51 -13.282 -2.836 -13.357
Start of MODEL 9
1 HA MET 7 HA MET 7 -12.591 1.620 -10.112
2 HB2 MET 7 2HB MET 7 -14.588 1.019 -8.878
3 HB3 MET 7 1HB MET 7 -13.654 0.801 -7.404
4 HG2 MET 7 2HG MET 7 -13.100 3.194 -7.425
5 HG3 MET 7 1HG MET 7 -14.099 3.396 -8.862
6 HE1 MET 7 2HE MET 7 -14.873 1.025 -5.808
7 HE2 MET 7 3HE MET 7 -15.780 2.114 -4.756
8 HE3 MET 7 1HE MET 7 -14.069 2.405 -5.060
9 H GLU 8 H GLU 8 -11.391 0.434 -6.954
10 HA GLU 8 HA GLU 8 -9.784 2.849 -6.706
11 HB2 GLU 8 2HB GLU 8 -10.266 0.585 -4.765
12 HB3 GLU 8 1HB GLU 8 -9.340 2.037 -4.415
13 HG2 GLU 8 2HG GLU 8 -11.322 3.407 -4.739
14 HG3 GLU 8 1HG GLU 8 -12.259 1.968 -5.143
15 H ARG 9 H ARG 9 -7.546 2.674 -5.968
16 HA ARG 9 HA ARG 9 -6.180 0.297 -7.045
17 HB2 ARG 9 2HB ARG 9 -5.121 3.131 -7.048
18 HB3 ARG 9 1HB ARG 9 -4.350 1.719 -7.757
19 HG2 ARG 9 2HG ARG 9 -6.156 1.533 -9.378
20 HG3 ARG 9 1HG ARG 9 -6.950 2.937 -8.664
21 HD2 ARG 9 2HD ARG 9 -5.788 3.710 -10.577
22 HD3 ARG 9 1HD ARG 9 -4.868 4.243 -9.171
23 HE ARG 9 HE ARG 9 -3.769 1.825 -9.931
24 HH11 ARG 9 1HH1 ARG 9 -4.195 5.016 -11.291
25 HH12 ARG 9 2HH1 ARG 9 -2.846 4.868 -12.390
26 HH21 ARG 9 1HH2 ARG 9 -1.983 1.625 -11.360
27 HH22 ARG 9 2HH2 ARG 9 -1.598 2.945 -12.429
28 H VAL 10 H VAL 10 -4.849 -0.704 -5.655
29 HA VAL 10 HA VAL 10 -4.439 0.600 -3.050
30 HB VAL 10 HB VAL 10 -4.161 -1.695 -2.124
31 HG11 VAL 10 1HG1 VAL 10 -6.310 -0.525 -1.982
32 HG12 VAL 10 2HG1 VAL 10 -6.521 -2.271 -2.124
33 HG13 VAL 10 3HG1 VAL 10 -6.793 -1.233 -3.526
34 HG21 VAL 10 3HG2 VAL 10 -5.100 -2.555 -4.853
35 HG22 VAL 10 1HG2 VAL 10 -4.926 -3.606 -3.449
36 HG23 VAL 10 2HG2 VAL 10 -3.504 -2.843 -4.161
37 H TYR 11 H TYR 11 -2.449 0.222 -1.955
38 HA TYR 11 HA TYR 11 -0.197 -0.377 -3.761
39 HB2 TYR 11 2HB TYR 11 -0.010 1.211 -1.205
40 HB3 TYR 11 1HB TYR 11 1.132 1.161 -2.540
41 HD1 TYR 11 1HD TYR 11 0.341 2.164 -4.786
42 HD2 TYR 11 2HD TYR 11 -1.582 2.919 -1.066
43 HE1 TYR 11 1HE TYR 11 -0.678 4.190 -5.730
44 HE2 TYR 11 2HE TYR 11 -2.608 4.948 -2.002
45 HH TYR 11 HH TYR 11 -2.760 5.602 -5.252
46 H GLN 12 H GLN 12 1.154 -2.019 -3.156
47 HA GLN 12 HA GLN 12 0.642 -3.199 -0.503
48 HB2 GLN 12 2HB GLN 12 1.182 -5.387 -1.418
49 HB3 GLN 12 1HB GLN 12 -0.134 -4.659 -2.324
50 HG2 GLN 12 2HG GLN 12 1.298 -4.150 -4.153
51 HG3 GLN 12 1HG GLN 12 2.731 -4.587 -3.226
52 HE21 GLN 12 1HE2 GLN 12 3.190 -6.755 -2.866
53 HE22 GLN 12 2HE2 GLN 12 2.457 -8.014 -3.795
54 H CYS 13 H CYS 13 2.335 -3.564 0.822
55 HA CYS 13 HA CYS 13 4.978 -2.742 0.031
56 HB2 CYS 13 2HB CYS 13 5.585 -3.038 2.292
57 HB3 CYS 13 1HB CYS 13 3.872 -2.672 2.410
58 H LEU 14 H LEU 14 6.562 -4.056 -0.807
59 HA LEU 14 HA LEU 14 5.762 -6.572 -1.831
60 HB2 LEU 14 2HB LEU 14 8.289 -4.989 -1.819
61 HB3 LEU 14 1HB LEU 14 8.315 -6.645 -2.386
62 HG LEU 14 HG LEU 14 8.017 -4.678 -4.063
63 HD11 LEU 14 1HD1 LEU 14 7.979 -7.002 -4.715
64 HD12 LEU 14 2HD1 LEU 14 6.674 -6.135 -5.530
65 HD13 LEU 14 3HD1 LEU 14 6.319 -7.162 -4.139
66 HD21 LEU 14 3HD2 LEU 14 6.144 -3.595 -2.998
67 HD22 LEU 14 1HD2 LEU 14 5.188 -5.071 -3.131
68 HD23 LEU 14 2HD2 LEU 14 5.675 -4.201 -4.587
69 H ARG 15 H ARG 15 6.561 -5.979 1.289
70 HA ARG 15 HA ARG 15 8.249 -8.360 1.580
71 HB2 ARG 15 2HB ARG 15 7.498 -6.645 3.895
72 HB3 ARG 15 1HB ARG 15 9.006 -7.492 3.566
73 HG2 ARG 15 2HG ARG 15 9.121 -5.753 1.581
74 HG3 ARG 15 1HG ARG 15 8.067 -4.834 2.663
75 HD2 ARG 15 2HD ARG 15 10.815 -5.928 3.302
76 HD3 ARG 15 1HD ARG 15 10.382 -4.233 3.079
77 HE ARG 15 HE ARG 15 8.807 -4.800 5.088
78 HH11 ARG 15 1HH1 ARG 15 12.110 -5.886 4.616
79 HH12 ARG 15 2HH1 ARG 15 12.453 -5.960 6.322
80 HH21 ARG 15 1HH2 ARG 15 9.248 -4.912 7.311
81 HH22 ARG 15 2HH2 ARG 15 10.820 -5.407 7.859
82 H CYS 16 H CYS 16 5.355 -6.936 3.108
83 HA CYS 16 HA CYS 16 4.712 -9.596 4.163
84 HB2 CYS 16 2HB CYS 16 3.117 -7.171 4.870
85 HB3 CYS 16 1HB CYS 16 3.508 -8.574 5.855
86 H GLY 17 H GLY 17 4.043 -7.613 1.601
87 HA2 GLY 17 2HA GLY 17 2.491 -7.716 -0.082
88 HA3 GLY 17 1HA GLY 17 1.830 -9.154 0.689
89 H LEU 18 H LEU 18 2.186 -6.064 2.336
90 HA LEU 18 HA LEU 18 -0.657 -6.243 2.967
91 HB2 LEU 18 2HB LEU 18 1.515 -4.435 3.996
92 HB3 LEU 18 1HB LEU 18 -0.162 -4.299 4.491
93 HG LEU 18 HG LEU 18 1.699 -6.623 4.987
94 HD11 LEU 18 1HD1 LEU 18 0.274 -4.725 6.841
95 HD12 LEU 18 2HD1 LEU 18 2.002 -4.730 6.481
96 HD13 LEU 18 3HD1 LEU 18 1.274 -6.091 7.335
97 HD21 LEU 18 3HD2 LEU 18 -0.172 -7.685 6.148
98 HD22 LEU 18 1HD2 LEU 18 -0.528 -7.467 4.435
99 HD23 LEU 18 2HD2 LEU 18 -1.240 -6.383 5.629
100 H THR 19 H THR 19 -2.211 -5.132 2.068
101 HA THR 19 HA THR 19 -1.536 -3.107 0.083
102 HB THR 19 HB THR 19 -4.042 -3.294 -0.436
103 HG1 THR 19 1HG THR 19 -5.140 -4.973 0.447
104 HG21 THR 19 3HG2 THR 19 -2.315 -5.744 -0.805
105 HG22 THR 19 1HG2 THR 19 -2.271 -4.298 -1.817
106 HG23 THR 19 2HG2 THR 19 -3.724 -5.297 -1.771
107 H PHE 20 H PHE 20 -2.324 -1.049 0.067
108 HA PHE 20 HA PHE 20 -3.961 -0.151 2.343
109 HB2 PHE 20 2HB PHE 20 -1.690 1.494 1.222
110 HB3 PHE 20 1HB PHE 20 -2.587 1.751 2.715
111 HD1 PHE 20 2HD PHE 20 -2.229 0.195 4.641
112 HD2 PHE 20 1HD PHE 20 0.205 0.123 1.153
113 HE1 PHE 20 2HE PHE 20 -0.513 -1.071 5.867
114 HE2 PHE 20 1HE PHE 20 1.918 -1.140 2.366
115 HZ PHE 20 HZ PHE 20 1.564 -1.742 4.730
116 H ARG 21 H ARG 21 -5.360 1.589 1.846
117 HA ARG 21 HA ARG 21 -5.923 1.804 -1.009
118 HB2 ARG 21 2HB ARG 21 -7.514 2.693 1.405
119 HB3 ARG 21 1HB ARG 21 -8.042 2.880 -0.261
120 HG2 ARG 21 2HG ARG 21 -7.957 0.424 -0.525
121 HG3 ARG 21 1HG ARG 21 -7.536 0.285 1.182
122 HD2 ARG 21 2HD ARG 21 -9.638 1.363 1.795
123 HD3 ARG 21 1HD ARG 21 -10.058 1.529 0.089
124 HE ARG 21 HE ARG 21 -9.548 -1.166 1.110
125 HH11 ARG 21 1HH1 ARG 21 -11.867 1.261 0.126
126 HH12 ARG 21 2HH1 ARG 21 -13.155 0.125 -0.105
127 HH21 ARG 21 1HH2 ARG 21 -11.246 -2.677 0.818
128 HH22 ARG 21 2HH2 ARG 21 -12.806 -2.121 0.288
129 H THR 22 H THR 22 -4.335 3.573 1.384
130 HA THR 22 HA THR 22 -4.230 5.890 -0.390
131 HB THR 22 HB THR 22 -5.900 6.406 1.380
132 HG1 THR 22 1HG THR 22 -4.923 8.212 0.673
133 HG21 THR 22 3HG2 THR 22 -5.172 6.742 3.683
134 HG22 THR 22 1HG2 THR 22 -3.567 6.143 3.273
135 HG23 THR 22 2HG2 THR 22 -4.957 5.061 3.194
136 H LYS 23 H LYS 23 -2.340 7.206 -0.059
137 HA LYS 23 HA LYS 23 -0.043 5.568 0.112
138 HB2 LYS 23 2HB LYS 23 -0.127 8.585 0.106
139 HB3 LYS 23 1HB LYS 23 1.227 7.566 -0.355
140 HG2 LYS 23 2HG LYS 23 -0.083 6.716 -2.251
141 HG3 LYS 23 1HG LYS 23 -1.402 7.802 -1.803
142 HD2 LYS 23 2HD LYS 23 0.169 9.711 -2.056
143 HD3 LYS 23 1HD LYS 23 1.387 8.578 -2.641
144 HE2 LYS 23 2HE LYS 23 -1.266 9.222 -3.913
145 HE3 LYS 23 1HE LYS 23 0.335 9.626 -4.529
146 HZ1 LYS 23 3HZ LYS 23 0.743 7.152 -4.596
147 HZ2 LYS 23 1HZ LYS 23 -0.378 7.750 -5.723
148 HZ3 LYS 23 2HZ LYS 23 -0.923 6.953 -4.336
149 H LYS 24 H LYS 24 -1.612 7.663 2.406
150 HA LYS 24 HA LYS 24 0.537 8.122 4.146
151 HB2 LYS 24 2HB LYS 24 -1.698 9.260 4.152
152 HB3 LYS 24 1HB LYS 24 -2.363 7.834 4.930
153 HG2 LYS 24 2HG LYS 24 -0.942 8.175 6.850
154 HG3 LYS 24 1HG LYS 24 -0.151 9.539 6.053
155 HD2 LYS 24 2HD LYS 24 -2.342 10.692 5.955
156 HD3 LYS 24 1HD LYS 24 -3.051 9.357 6.867
157 HE2 LYS 24 2HE LYS 24 -1.511 9.822 8.721
158 HE3 LYS 24 1HE LYS 24 -0.828 11.168 7.807
159 HZ1 LYS 24 3HZ LYS 24 -3.624 10.928 8.782
160 HZ2 LYS 24 1HZ LYS 24 -3.055 12.187 7.797
161 HZ3 LYS 24 2HZ LYS 24 -2.435 11.997 9.361
162 H GLN 25 H GLN 25 -1.873 5.520 4.083
163 HA GLN 25 HA GLN 25 -0.921 4.127 6.352
164 HB2 GLN 25 2HB GLN 25 -2.332 3.048 3.902
165 HB3 GLN 25 1HB GLN 25 -2.111 2.173 5.407
166 HG2 GLN 25 2HG GLN 25 -3.475 3.846 6.566
167 HG3 GLN 25 1HG GLN 25 -3.716 4.688 5.035
168 HE21 GLN 25 1HE2 GLN 25 -4.490 1.883 6.914
169 HE22 GLN 25 2HE2 GLN 25 -5.789 1.320 5.924
170 H LEU 26 H LEU 26 -0.045 4.121 2.971
171 HA LEU 26 HA LEU 26 1.589 1.825 2.951
172 HB2 LEU 26 2HB LEU 26 0.732 2.806 0.909
173 HB3 LEU 26 1HB LEU 26 1.582 4.304 1.231
174 HG LEU 26 HG LEU 26 3.730 2.947 1.075
175 HD11 LEU 26 1HD1 LEU 26 1.888 0.982 -0.272
176 HD12 LEU 26 2HD1 LEU 26 2.644 0.747 1.303
177 HD13 LEU 26 3HD1 LEU 26 3.643 0.875 -0.141
178 HD21 LEU 26 3HD2 LEU 26 3.746 3.082 -1.364
179 HD22 LEU 26 1HD2 LEU 26 3.001 4.507 -0.641
180 HD23 LEU 26 2HD2 LEU 26 1.990 3.256 -1.367
181 H ILE 27 H ILE 27 2.363 5.283 3.189
182 HA ILE 27 HA ILE 27 5.138 4.930 3.449
183 HB ILE 27 HB ILE 27 3.378 7.238 4.285
184 HG12 ILE 27 2HG1 ILE 27 5.128 6.761 1.861
185 HG13 ILE 27 1HG1 ILE 27 3.369 6.775 1.887
186 HG21 ILE 27 1HG2 ILE 27 5.427 8.584 4.368
187 HG22 ILE 27 2HG2 ILE 27 6.386 7.129 4.099
188 HG23 ILE 27 3HG2 ILE 27 5.436 7.298 5.575
189 HD11 ILE 27 3HD1 ILE 27 5.136 9.134 2.492
190 HD12 ILE 27 1HD1 ILE 27 3.373 9.131 2.435
191 HD13 ILE 27 2HD1 ILE 27 4.304 8.833 0.966
192 H ARG 28 H ARG 28 2.583 5.296 5.912
193 HA ARG 28 HA ARG 28 4.187 5.364 8.175
194 HB2 ARG 28 2HB ARG 28 1.477 4.124 7.757
195 HB3 ARG 28 1HB ARG 28 2.248 4.209 9.333
196 HG2 ARG 28 2HG ARG 28 2.326 6.670 9.117
197 HG3 ARG 28 1HG ARG 28 1.444 6.530 7.593
198 HD2 ARG 28 2HD ARG 28 -0.052 7.047 9.471
199 HD3 ARG 28 1HD ARG 28 -0.421 5.484 8.742
200 HE ARG 28 HE ARG 28 1.219 5.681 11.185
201 HH11 ARG 28 1HH1 ARG 28 -1.610 4.472 9.507
202 HH12 ARG 28 2HH1 ARG 28 -2.015 3.337 10.749
203 HH21 ARG 28 1HH2 ARG 28 0.702 4.170 12.805
204 HH22 ARG 28 2HH2 ARG 28 -0.712 3.169 12.635
205 H HIS 29 H HIS 29 3.016 2.508 6.406
206 HA HIS 29 HA HIS 29 4.208 0.698 8.292
207 HB2 HIS 29 2HB HIS 29 2.171 0.068 7.129
208 HB3 HIS 29 1HB HIS 29 2.970 0.234 5.572
209 HD1 HIS 29 1HD HIS 29 3.955 -1.761 8.700
210 HD2 HIS 29 2HD HIS 29 3.284 -2.221 4.622
211 HE1 HIS 29 1HE HIS 29 4.477 -4.183 8.151
212 H LEU 30 H LEU 30 4.918 1.617 4.925
213 HA LEU 30 HA LEU 30 7.220 0.175 4.516
214 HB2 LEU 30 2HB LEU 30 6.139 2.729 3.476
215 HB3 LEU 30 1HB LEU 30 7.828 2.393 3.158
216 HG LEU 30 HG LEU 30 6.192 1.720 1.351
217 HD11 LEU 30 1HD1 LEU 30 8.481 0.856 1.456
218 HD12 LEU 30 2HD1 LEU 30 7.358 -0.365 0.859
219 HD13 LEU 30 3HD1 LEU 30 7.941 -0.443 2.521
220 HD21 LEU 30 3HD2 LEU 30 5.027 -0.406 1.634
221 HD22 LEU 30 1HD2 LEU 30 4.440 0.797 2.781
222 HD23 LEU 30 2HD2 LEU 30 5.542 -0.471 3.320
223 H VAL 31 H VAL 31 6.973 3.411 6.025
224 HA VAL 31 HA VAL 31 9.808 3.640 6.305
225 HB VAL 31 HB VAL 31 7.598 5.249 7.589
226 HG11 VAL 31 1HG1 VAL 31 10.565 5.800 7.476
227 HG12 VAL 31 2HG1 VAL 31 9.636 5.397 8.920
228 HG13 VAL 31 3HG1 VAL 31 9.336 6.916 8.076
229 HG21 VAL 31 3HG2 VAL 31 7.645 5.427 5.168
230 HG22 VAL 31 1HG2 VAL 31 9.367 5.804 5.213
231 HG23 VAL 31 2HG2 VAL 31 8.200 6.929 5.908
232 H ASN 32 H ASN 32 7.183 2.825 8.575
233 HA ASN 32 HA ASN 32 9.031 2.720 10.779
234 HB2 ASN 32 2HB ASN 32 6.090 2.123 10.534
235 HB3 ASN 32 1HB ASN 32 6.986 1.825 12.017
236 HD21 ASN 32 1HD2 ASN 32 4.792 3.681 11.488
237 HD22 ASN 32 2HD2 ASN 32 5.390 5.245 11.922
238 H THR 33 H THR 33 6.922 0.237 9.281
239 HA THR 33 HA THR 33 8.234 -1.813 10.809
240 HB THR 33 HB THR 33 6.311 -2.262 8.528
241 HG1 THR 33 1HG THR 33 5.792 -1.622 11.271
242 HG21 THR 33 3HG2 THR 33 5.748 -4.285 9.807
243 HG22 THR 33 1HG2 THR 33 6.944 -3.848 11.026
244 HG23 THR 33 2HG2 THR 33 7.460 -4.248 9.388
245 H GLU 34 H GLU 34 8.217 -0.791 7.405
246 HA GLU 34 HA GLU 34 9.972 -3.000 6.690
247 HB2 GLU 34 2HB GLU 34 9.348 -0.752 4.814
248 HB3 GLU 34 1HB GLU 34 9.604 -2.454 4.467
249 HG2 GLU 34 2HG GLU 34 7.175 -1.347 5.847
250 HG3 GLU 34 1HG GLU 34 7.287 -1.671 4.121
251 H LYS 35 H LYS 35 10.312 -0.024 8.033
252 HA LYS 35 HA LYS 35 11.863 1.580 8.264
253 HB2 LYS 35 2HB LYS 35 14.095 0.877 8.759
254 HB3 LYS 35 1HB LYS 35 12.975 -0.313 9.393
255 HG2 LYS 35 2HG LYS 35 13.521 -1.859 7.668
256 HG3 LYS 35 1HG LYS 35 14.449 -0.640 6.791
257 HD2 LYS 35 2HD LYS 35 15.994 -0.506 8.734
258 HD3 LYS 35 1HD LYS 35 15.106 -1.836 9.479
259 HE2 LYS 35 2HE LYS 35 15.699 -3.312 7.680
260 HE3 LYS 35 1HE LYS 35 16.440 -1.988 6.782
261 HZ1 LYS 35 3HZ LYS 35 18.069 -1.764 8.574
262 HZ2 LYS 35 1HZ LYS 35 18.120 -3.303 7.872
263 HZ3 LYS 35 2HZ LYS 35 17.379 -3.083 9.381
264 H VAL 36 H VAL 36 10.913 1.325 5.601
265 HA VAL 36 HA VAL 36 13.270 2.012 4.001
266 HB VAL 36 HB VAL 36 10.440 1.396 3.128
267 HG11 VAL 36 1HG1 VAL 36 12.902 1.948 1.482
268 HG12 VAL 36 2HG1 VAL 36 11.496 3.001 1.640
269 HG13 VAL 36 3HG1 VAL 36 11.337 1.431 0.852
270 HG21 VAL 36 3HG2 VAL 36 12.982 -0.204 2.855
271 HG22 VAL 36 1HG2 VAL 36 11.420 -0.635 2.157
272 HG23 VAL 36 2HG2 VAL 36 11.621 -0.583 3.909
273 H ASN 37 H ASN 37 13.693 4.064 3.638
274 HA ASN 37 HA ASN 37 12.148 6.227 4.536
275 HB2 ASN 37 2HB ASN 37 14.384 6.082 2.504
276 HB3 ASN 37 1HB ASN 37 13.705 7.594 3.102
277 HD21 ASN 37 1HD2 ASN 37 16.407 6.403 3.337
278 HD22 ASN 37 2HD2 ASN 37 16.747 6.408 5.033
279 HA PRO 38 HA PRO 38 8.993 6.733 1.526
280 HB2 PRO 38 2HB PRO 38 9.372 9.653 1.785
281 HB3 PRO 38 1HB PRO 38 7.944 8.667 2.118
282 HG2 PRO 38 2HG PRO 38 9.401 9.725 4.099
283 HG3 PRO 38 1HG PRO 38 8.651 8.125 4.247
284 HD2 PRO 38 2HD PRO 38 11.502 8.840 3.692
285 HD3 PRO 38 1HD PRO 38 10.842 7.541 4.705
286 H LEU 39 H LEU 39 12.058 8.294 1.106
287 HA LEU 39 HA LEU 39 11.540 9.026 -1.652
288 HB2 LEU 39 2HB LEU 39 14.100 9.075 -0.044
289 HB3 LEU 39 1HB LEU 39 13.875 9.782 -1.634
290 HG LEU 39 HG LEU 39 12.361 10.653 0.826
291 HD11 LEU 39 1HD1 LEU 39 13.834 12.601 0.827
292 HD12 LEU 39 2HD1 LEU 39 14.762 11.902 -0.499
293 HD13 LEU 39 3HD1 LEU 39 14.739 11.106 1.074
294 HD21 LEU 39 3HD2 LEU 39 11.176 11.109 -1.239
295 HD22 LEU 39 1HD2 LEU 39 12.619 11.849 -1.933
296 HD23 LEU 39 2HD2 LEU 39 11.809 12.610 -0.565
297 H SER 40 H SER 40 12.203 6.212 -0.067
298 HA SER 40 HA SER 40 13.691 5.084 -2.346
299 HB2 SER 40 2HB SER 40 13.741 3.951 0.446
300 HB3 SER 40 1HB SER 40 14.888 3.690 -0.869
301 HG SER 40 HG SER 40 15.856 5.543 -0.433
302 H ILE 41 H ILE 41 10.736 5.116 -0.793
303 HA ILE 41 HA ILE 41 10.078 2.394 -0.528
304 HB ILE 41 HB ILE 41 7.707 3.107 -0.545
305 HG12 ILE 41 2HG1 ILE 41 8.832 5.874 -1.039
306 HG13 ILE 41 1HG1 ILE 41 7.922 4.923 -2.210
307 HG21 ILE 41 1HG2 ILE 41 7.815 4.492 1.467
308 HG22 ILE 41 2HG2 ILE 41 9.530 4.785 1.166
309 HG23 ILE 41 3HG2 ILE 41 8.962 3.152 1.521
310 HD11 ILE 41 3HD1 ILE 41 6.523 6.613 -1.162
311 HD12 ILE 41 1HD1 ILE 41 6.878 5.938 0.429
312 HD13 ILE 41 2HD1 ILE 41 5.967 4.992 -0.748
313 H ASP 42 H ASP 42 10.395 4.293 -3.316
314 HA ASP 42 HA ASP 42 8.444 3.524 -5.061
315 HB2 ASP 42 2HB ASP 42 10.116 5.184 -5.617
316 HB3 ASP 42 1HB ASP 42 11.380 3.958 -5.630
317 H TYR 43 H TYR 43 11.314 1.658 -4.194
318 HA TYR 43 HA TYR 43 10.706 -0.338 -6.214
319 HB2 TYR 43 2HB TYR 43 13.044 0.301 -5.849
320 HB3 TYR 43 1HB TYR 43 12.941 -0.231 -4.174
321 HD1 TYR 43 2HD TYR 43 12.700 -1.445 -7.678
322 HD2 TYR 43 1HD TYR 43 13.399 -2.464 -3.608
323 HE1 TYR 43 2HE TYR 43 13.354 -3.713 -8.365
324 HE2 TYR 43 1HE TYR 43 14.050 -4.736 -4.283
325 HH TYR 43 HH TYR 43 13.575 -6.276 -6.238
326 H TYR 44 H TYR 44 10.015 0.154 -2.893
327 HA TYR 44 HA TYR 44 9.845 -2.731 -2.376
328 HB2 TYR 44 2HB TYR 44 9.702 -0.447 -0.405
329 HB3 TYR 44 1HB TYR 44 9.804 -2.164 -0.016
330 HD1 TYR 44 2HD TYR 44 11.612 0.745 -1.263
331 HD2 TYR 44 1HD TYR 44 11.893 -3.366 -0.236
332 HE1 TYR 44 2HE TYR 44 14.044 0.909 -1.335
333 HE2 TYR 44 1HE TYR 44 14.345 -3.219 -0.300
334 HH TYR 44 HH TYR 44 16.076 -1.704 -1.482
335 H TYR 45 H TYR 45 7.882 -0.217 -3.285
336 HA TYR 45 HA TYR 45 5.586 -1.782 -2.326
337 HB2 TYR 45 2HB TYR 45 4.354 0.029 -1.730
338 HB3 TYR 45 1HB TYR 45 5.954 0.666 -1.393
339 HD1 TYR 45 2HD TYR 45 6.936 2.372 -2.888
340 HD2 TYR 45 1HD TYR 45 2.984 0.918 -3.468
341 HE1 TYR 45 2HE TYR 45 6.439 4.312 -4.311
342 HE2 TYR 45 1HE TYR 45 2.470 2.856 -4.889
343 HH TYR 45 HH TYR 45 4.888 4.995 -6.041
344 H GLN 46 H GLN 46 3.923 -2.169 -3.694
345 HA GLN 46 HA GLN 46 4.377 -1.463 -6.526
346 HB2 GLN 46 2HB GLN 46 4.835 -3.857 -6.010
347 HB3 GLN 46 1HB GLN 46 3.191 -4.021 -5.415
348 HG2 GLN 46 2HG GLN 46 2.441 -3.298 -7.726
349 HG3 GLN 46 1HG GLN 46 4.116 -3.542 -8.224
350 HE21 GLN 46 1HE2 GLN 46 1.190 -5.063 -7.165
351 HE22 GLN 46 2HE2 GLN 46 1.643 -6.681 -7.562
352 H SER 47 H SER 47 2.538 -0.929 -7.727
353 HA SER 47 HA SER 47 0.072 -0.601 -6.143
354 HB2 SER 47 2HB SER 47 0.983 1.086 -8.489
355 HB3 SER 47 1HB SER 47 -0.431 1.370 -7.471
356 HG SER 47 HG SER 47 1.563 1.196 -5.814
357 H PHE 48 H PHE 48 -1.747 -1.513 -6.916
358 HA PHE 48 HA PHE 48 -1.961 -2.044 -9.763
359 HB2 PHE 48 2HB PHE 48 -2.718 -4.347 -9.460
360 HB3 PHE 48 1HB PHE 48 -1.078 -4.149 -8.865
361 HD1 PHE 48 1HD PHE 48 -0.658 -4.110 -6.414
362 HD2 PHE 48 2HD PHE 48 -4.476 -5.036 -8.054
363 HE1 PHE 48 1HE PHE 48 -1.317 -5.148 -4.286
364 HE2 PHE 48 2HE PHE 48 -5.142 -6.070 -5.923
365 HZ PHE 48 HZ PHE 48 -3.560 -6.130 -4.035
366 H SER 49 H SER 49 -4.104 -2.226 -10.500
367 HA SER 49 HA SER 49 -5.924 -0.804 -8.724
368 HB2 SER 49 2HB SER 49 -7.277 -0.442 -10.776
369 HB3 SER 49 1HB SER 49 -5.626 0.163 -10.927
370 HG SER 49 HG SER 49 -5.256 -2.065 -11.902
371 H VAL 50 H VAL 50 -7.595 -1.693 -7.791
372 HA VAL 50 HA VAL 50 -8.351 -4.433 -8.550
373 HB VAL 50 HB VAL 50 -7.451 -4.062 -6.230
374 HG11 VAL 50 1HG1 VAL 50 -8.319 -1.861 -5.789
375 HG12 VAL 50 2HG1 VAL 50 -8.892 -2.991 -4.562
376 HG13 VAL 50 3HG1 VAL 50 -9.975 -2.469 -5.853
377 HG21 VAL 50 3HG2 VAL 50 -9.210 -5.342 -5.063
378 HG22 VAL 50 1HG2 VAL 50 -8.827 -5.994 -6.655
379 HG23 VAL 50 2HG2 VAL 50 -10.294 -5.045 -6.422
380 H SER 51 H SER 51 -10.868 -4.698 -7.714
381 HA SER 51 HA SER 51 -12.266 -2.616 -9.215
382 HB2 SER 51 2HB SER 51 -13.288 -5.320 -8.308
383 HB3 SER 51 1HB SER 51 -14.092 -4.211 -9.423
384 HG SER 51 HG SER 51 -11.816 -4.500 -10.533
Start of MODEL 10
1 HA MET 7 HA MET 7 -10.995 1.316 -9.787
2 HB2 MET 7 2HB MET 7 -9.252 2.704 -10.883
3 HB3 MET 7 1HB MET 7 -10.704 2.523 -11.853
4 HG2 MET 7 2HG MET 7 -11.427 4.763 -11.179
5 HG3 MET 7 1HG MET 7 -9.954 4.941 -10.224
6 HE1 MET 7 2HE MET 7 -11.460 4.634 -13.849
7 HE2 MET 7 3HE MET 7 -10.420 3.217 -13.717
8 HE3 MET 7 1HE MET 7 -9.992 4.525 -14.820
9 H GLU 8 H GLU 8 -10.078 0.939 -7.928
10 HA GLU 8 HA GLU 8 -9.244 3.228 -6.267
11 HB2 GLU 8 2HB GLU 8 -11.158 1.862 -5.358
12 HB3 GLU 8 1HB GLU 8 -10.064 0.488 -5.284
13 HG2 GLU 8 2HG GLU 8 -8.671 1.635 -3.683
14 HG3 GLU 8 1HG GLU 8 -9.667 3.085 -3.817
15 H ARG 9 H ARG 9 -7.205 3.108 -5.326
16 HA ARG 9 HA ARG 9 -5.449 1.176 -6.660
17 HB2 ARG 9 2HB ARG 9 -4.912 3.876 -5.424
18 HB3 ARG 9 1HB ARG 9 -3.623 2.785 -5.900
19 HG2 ARG 9 2HG ARG 9 -3.922 4.404 -7.623
20 HG3 ARG 9 1HG ARG 9 -4.494 2.848 -8.221
21 HD2 ARG 9 2HD ARG 9 -5.953 4.784 -8.815
22 HD3 ARG 9 1HD ARG 9 -6.773 3.497 -7.934
23 HE ARG 9 HE ARG 9 -6.029 5.205 -5.972
24 HH11 ARG 9 1HH1 ARG 9 -7.682 5.714 -9.015
25 HH12 ARG 9 2HH1 ARG 9 -8.752 6.930 -8.378
26 HH21 ARG 9 1HH2 ARG 9 -7.410 6.821 -5.137
27 HH22 ARG 9 2HH2 ARG 9 -8.545 7.606 -6.188
28 H VAL 10 H VAL 10 -4.754 -0.505 -5.500
29 HA VAL 10 HA VAL 10 -4.440 -0.113 -2.608
30 HB VAL 10 HB VAL 10 -4.245 -2.541 -2.382
31 HG11 VAL 10 1HG1 VAL 10 -6.698 -1.709 -3.915
32 HG12 VAL 10 2HG1 VAL 10 -6.444 -1.548 -2.175
33 HG13 VAL 10 3HG1 VAL 10 -6.548 -3.150 -2.908
34 HG21 VAL 10 3HG2 VAL 10 -4.689 -4.047 -4.222
35 HG22 VAL 10 1HG2 VAL 10 -3.274 -3.052 -4.564
36 HG23 VAL 10 2HG2 VAL 10 -4.820 -2.680 -5.333
37 H TYR 11 H TYR 11 -2.500 -0.080 -1.705
38 HA TYR 11 HA TYR 11 -0.192 -0.323 -3.510
39 HB2 TYR 11 2HB TYR 11 -0.233 1.028 -0.806
40 HB3 TYR 11 1HB TYR 11 0.943 1.231 -2.099
41 HD1 TYR 11 2HD TYR 11 -2.480 2.025 -1.008
42 HD2 TYR 11 1HD TYR 11 0.555 2.792 -3.885
43 HE1 TYR 11 2HE TYR 11 -3.754 3.962 -1.818
44 HE2 TYR 11 1HE TYR 11 -0.714 4.735 -4.708
45 HH TYR 11 HH TYR 11 -2.986 5.593 -4.727
46 H GLN 12 H GLN 12 0.975 -2.131 -3.273
47 HA GLN 12 HA GLN 12 0.637 -3.645 -0.783
48 HB2 GLN 12 2HB GLN 12 2.005 -4.620 -3.272
49 HB3 GLN 12 1HB GLN 12 1.350 -5.573 -1.954
50 HG2 GLN 12 2HG GLN 12 -0.920 -4.858 -2.619
51 HG3 GLN 12 1HG GLN 12 -0.210 -4.032 -4.008
52 HE21 GLN 12 1HE2 GLN 12 1.032 -7.037 -2.765
53 HE22 GLN 12 2HE2 GLN 12 0.547 -8.027 -4.099
54 H CYS 13 H CYS 13 2.215 -3.793 0.653
55 HA CYS 13 HA CYS 13 4.862 -2.790 0.018
56 HB2 CYS 13 2HB CYS 13 5.325 -2.854 2.334
57 HB3 CYS 13 1HB CYS 13 3.602 -2.519 2.290
58 H LEU 14 H LEU 14 6.461 -4.060 -0.735
59 HA LEU 14 HA LEU 14 5.818 -6.773 -1.390
60 HB2 LEU 14 2HB LEU 14 8.418 -5.284 -1.735
61 HB3 LEU 14 1HB LEU 14 8.002 -6.810 -2.490
62 HG LEU 14 HG LEU 14 6.663 -4.153 -3.009
63 HD11 LEU 14 1HD1 LEU 14 8.508 -5.840 -4.695
64 HD12 LEU 14 2HD1 LEU 14 8.879 -4.273 -3.973
65 HD13 LEU 14 3HD1 LEU 14 7.662 -4.394 -5.243
66 HD21 LEU 14 3HD2 LEU 14 6.182 -6.843 -4.290
67 HD22 LEU 14 1HD2 LEU 14 5.424 -5.318 -4.747
68 HD23 LEU 14 2HD2 LEU 14 5.090 -6.031 -3.169
69 H ARG 15 H ARG 15 6.443 -5.819 1.497
70 HA ARG 15 HA ARG 15 8.628 -7.683 2.111
71 HB2 ARG 15 2HB ARG 15 7.548 -5.727 4.095
72 HB3 ARG 15 1HB ARG 15 9.189 -6.340 3.907
73 HG2 ARG 15 2HG ARG 15 7.851 -4.464 1.973
74 HG3 ARG 15 1HG ARG 15 8.889 -3.940 3.304
75 HD2 ARG 15 2HD ARG 15 9.788 -5.860 1.162
76 HD3 ARG 15 1HD ARG 15 10.015 -4.116 1.050
77 HE ARG 15 HE ARG 15 11.177 -4.592 3.383
78 HH11 ARG 15 1HH1 ARG 15 11.419 -6.436 0.402
79 HH12 ARG 15 2HH1 ARG 15 13.069 -6.904 0.690
80 HH21 ARG 15 1HH2 ARG 15 13.350 -5.164 3.730
81 HH22 ARG 15 2HH2 ARG 15 14.172 -6.185 2.580
82 H CYS 16 H CYS 16 5.453 -6.606 3.326
83 HA CYS 16 HA CYS 16 5.174 -9.188 4.709
84 HB2 CYS 16 2HB CYS 16 3.202 -6.949 5.017
85 HB3 CYS 16 1HB CYS 16 3.637 -8.206 6.166
86 H GLY 17 H GLY 17 4.259 -7.470 1.959
87 HA2 GLY 17 2HA GLY 17 2.890 -8.085 0.202
88 HA3 GLY 17 1HA GLY 17 2.353 -9.471 1.142
89 H LEU 18 H LEU 18 2.260 -6.241 2.470
90 HA LEU 18 HA LEU 18 -0.592 -6.659 2.919
91 HB2 LEU 18 2HB LEU 18 1.311 -4.562 3.946
92 HB3 LEU 18 1HB LEU 18 -0.395 -4.613 4.349
93 HG LEU 18 HG LEU 18 1.673 -6.701 5.050
94 HD11 LEU 18 1HD1 LEU 18 0.098 -4.782 6.762
95 HD12 LEU 18 2HD1 LEU 18 1.817 -4.664 6.385
96 HD13 LEU 18 3HD1 LEU 18 1.216 -6.014 7.348
97 HD21 LEU 18 3HD2 LEU 18 -0.129 -7.804 6.278
98 HD22 LEU 18 1HD2 LEU 18 -0.487 -7.731 4.553
99 HD23 LEU 18 2HD2 LEU 18 -1.280 -6.617 5.666
100 H THR 19 H THR 19 -2.231 -5.509 2.088
101 HA THR 19 HA THR 19 -1.576 -3.554 -0.013
102 HB THR 19 HB THR 19 -4.023 -3.891 -0.657
103 HG1 THR 19 1HG THR 19 -4.747 -4.888 1.247
104 HG21 THR 19 3HG2 THR 19 -3.589 -5.886 -1.925
105 HG22 THR 19 1HG2 THR 19 -2.269 -6.340 -0.840
106 HG23 THR 19 2HG2 THR 19 -2.118 -4.916 -1.869
107 H PHE 20 H PHE 20 -2.223 -1.481 0.127
108 HA PHE 20 HA PHE 20 -4.062 -0.750 2.315
109 HB2 PHE 20 2HB PHE 20 -1.853 0.983 1.190
110 HB3 PHE 20 1HB PHE 20 -2.849 1.308 2.605
111 HD1 PHE 20 2HD PHE 20 -2.611 -0.162 4.622
112 HD2 PHE 20 1HD PHE 20 0.100 -0.275 1.350
113 HE1 PHE 20 2HE PHE 20 -0.955 -1.304 6.037
114 HE2 PHE 20 1HE PHE 20 1.754 -1.421 2.749
115 HZ PHE 20 HZ PHE 20 1.231 -1.937 5.099
116 H ARG 21 H ARG 21 -5.634 0.794 1.849
117 HA ARG 21 HA ARG 21 -6.256 0.987 -0.986
118 HB2 ARG 21 2HB ARG 21 -7.845 1.804 1.456
119 HB3 ARG 21 1HB ARG 21 -8.443 1.838 -0.198
120 HG2 ARG 21 2HG ARG 21 -8.228 -0.570 -0.361
121 HG3 ARG 21 1HG ARG 21 -7.535 -0.639 1.262
122 HD2 ARG 21 2HD ARG 21 -9.926 -1.241 1.230
123 HD3 ARG 21 1HD ARG 21 -9.601 0.187 2.214
124 HE ARG 21 HE ARG 21 -10.414 0.625 -0.554
125 HH11 ARG 21 1HH1 ARG 21 -11.351 0.510 2.822
126 HH12 ARG 21 2HH1 ARG 21 -12.724 1.554 2.605
127 HH21 ARG 21 1HH2 ARG 21 -12.220 1.982 -0.845
128 HH22 ARG 21 2HH2 ARG 21 -13.225 2.381 0.524
129 H THR 22 H THR 22 -5.098 2.970 1.592
130 HA THR 22 HA THR 22 -4.930 5.203 -0.312
131 HB THR 22 HB THR 22 -4.926 6.746 1.690
132 HG1 THR 22 1HG THR 22 -5.600 4.303 2.948
133 HG21 THR 22 3HG2 THR 22 -7.367 6.760 1.936
134 HG22 THR 22 1HG2 THR 22 -7.448 5.158 1.207
135 HG23 THR 22 2HG2 THR 22 -6.890 6.532 0.252
136 H LYS 23 H LYS 23 -3.004 6.327 -0.361
137 HA LYS 23 HA LYS 23 -0.771 4.626 0.052
138 HB2 LYS 23 2HB LYS 23 -1.082 6.183 -1.867
139 HB3 LYS 23 1HB LYS 23 -0.781 7.528 -0.778
140 HG2 LYS 23 2HG LYS 23 1.469 6.897 -0.465
141 HG3 LYS 23 1HG LYS 23 1.206 5.315 -1.197
142 HD2 LYS 23 2HD LYS 23 2.338 6.605 -2.816
143 HD3 LYS 23 1HD LYS 23 0.659 6.534 -3.338
144 HE2 LYS 23 2HE LYS 23 1.841 8.831 -1.795
145 HE3 LYS 23 1HE LYS 23 1.769 8.773 -3.552
146 HZ1 LYS 23 3HZ LYS 23 -0.706 8.522 -3.285
147 HZ2 LYS 23 1HZ LYS 23 -0.071 10.024 -2.823
148 HZ3 LYS 23 2HZ LYS 23 -0.500 8.888 -1.641
149 H LYS 24 H LYS 24 -2.204 7.037 2.021
150 HA LYS 24 HA LYS 24 0.060 7.769 3.552
151 HB2 LYS 24 2HB LYS 24 -2.123 8.957 3.577
152 HB3 LYS 24 1HB LYS 24 -2.821 7.604 4.452
153 HG2 LYS 24 2HG LYS 24 -1.373 8.015 6.331
154 HG3 LYS 24 1HG LYS 24 -0.532 9.287 5.441
155 HD2 LYS 24 2HD LYS 24 -2.628 10.566 5.322
156 HD3 LYS 24 1HD LYS 24 -3.438 9.302 6.250
157 HE2 LYS 24 2HE LYS 24 -2.797 11.181 7.670
158 HE3 LYS 24 1HE LYS 24 -1.948 9.706 8.129
159 HZ1 LYS 24 3HZ LYS 24 -0.018 10.506 6.874
160 HZ2 LYS 24 1HZ LYS 24 -0.444 11.565 8.125
161 HZ3 LYS 24 2HZ LYS 24 -0.836 11.946 6.522
162 H GLN 25 H GLN 25 -2.196 5.076 3.717
163 HA GLN 25 HA GLN 25 -1.266 3.967 6.165
164 HB2 GLN 25 2HB GLN 25 -2.462 2.493 3.815
165 HB3 GLN 25 1HB GLN 25 -2.406 1.941 5.479
166 HG2 GLN 25 2HG GLN 25 -4.001 3.575 6.151
167 HG3 GLN 25 1HG GLN 25 -3.923 4.372 4.576
168 HE21 GLN 25 1HE2 GLN 25 -5.170 1.686 6.370
169 HE22 GLN 25 2HE2 GLN 25 -6.241 1.101 5.141
170 H LEU 26 H LEU 26 -0.148 3.978 2.915
171 HA LEU 26 HA LEU 26 1.498 1.639 3.082
172 HB2 LEU 26 2HB LEU 26 0.585 2.311 0.959
173 HB3 LEU 26 1HB LEU 26 1.303 3.904 1.101
174 HG LEU 26 HG LEU 26 3.557 2.638 1.118
175 HD11 LEU 26 1HD1 LEU 26 2.561 0.406 1.384
176 HD12 LEU 26 2HD1 LEU 26 3.568 0.536 -0.057
177 HD13 LEU 26 3HD1 LEU 26 1.809 0.573 -0.204
178 HD21 LEU 26 3HD2 LEU 26 1.877 2.805 -1.372
179 HD22 LEU 26 1HD2 LEU 26 3.637 2.725 -1.312
180 HD23 LEU 26 2HD2 LEU 26 2.794 4.126 -0.649
181 H ILE 27 H ILE 27 2.103 5.145 2.937
182 HA ILE 27 HA ILE 27 4.903 4.930 3.086
183 HB ILE 27 HB ILE 27 3.156 7.280 3.830
184 HG12 ILE 27 2HG1 ILE 27 4.589 6.584 1.252
185 HG13 ILE 27 1HG1 ILE 27 2.851 6.497 1.513
186 HG21 ILE 27 1HG2 ILE 27 5.178 8.632 3.445
187 HG22 ILE 27 2HG2 ILE 27 6.111 7.150 3.229
188 HG23 ILE 27 3HG2 ILE 27 5.374 7.508 4.791
189 HD11 ILE 27 3HD1 ILE 27 4.521 8.999 1.578
190 HD12 ILE 27 1HD1 ILE 27 2.779 8.916 1.839
191 HD13 ILE 27 2HD1 ILE 27 3.457 8.488 0.267
192 H ARG 28 H ARG 28 2.464 5.522 5.612
193 HA ARG 28 HA ARG 28 4.238 5.900 7.742
194 HB2 ARG 28 2HB ARG 28 2.392 5.457 9.205
195 HB3 ARG 28 1HB ARG 28 1.760 6.300 7.799
196 HG2 ARG 28 2HG ARG 28 0.965 4.193 6.877
197 HG3 ARG 28 1HG ARG 28 1.624 3.330 8.266
198 HD2 ARG 28 2HD ARG 28 0.129 4.675 9.730
199 HD3 ARG 28 1HD ARG 28 -0.598 5.368 8.276
200 HE ARG 28 HE ARG 28 -0.566 2.453 8.505
201 HH11 ARG 28 1HH1 ARG 28 -2.384 5.423 8.821
202 HH12 ARG 28 2HH1 ARG 28 -3.932 4.643 8.698
203 HH21 ARG 28 1HH2 ARG 28 -2.576 1.416 8.389
204 HH22 ARG 28 2HH2 ARG 28 -4.043 2.344 8.493
205 H HIS 29 H HIS 29 3.082 2.961 6.229
206 HA HIS 29 HA HIS 29 4.111 1.260 8.323
207 HB2 HIS 29 2HB HIS 29 2.044 0.610 7.315
208 HB3 HIS 29 1HB HIS 29 2.724 0.725 5.699
209 HD1 HIS 29 1HD HIS 29 3.509 -1.379 8.827
210 HD2 HIS 29 2HD HIS 29 3.217 -1.652 4.691
211 HE1 HIS 29 1HE HIS 29 3.942 -3.808 8.230
212 H LEU 30 H LEU 30 4.838 1.833 4.879
213 HA LEU 30 HA LEU 30 7.067 0.275 4.573
214 HB2 LEU 30 2HB LEU 30 6.134 2.817 3.387
215 HB3 LEU 30 1HB LEU 30 7.816 2.404 3.125
216 HG LEU 30 HG LEU 30 6.149 1.704 1.318
217 HD11 LEU 30 1HD1 LEU 30 7.907 -0.399 2.566
218 HD12 LEU 30 2HD1 LEU 30 8.421 0.837 1.421
219 HD13 LEU 30 3HD1 LEU 30 7.291 -0.418 0.916
220 HD21 LEU 30 3HD2 LEU 30 4.419 0.851 2.840
221 HD22 LEU 30 1HD2 LEU 30 5.516 -0.435 3.345
222 HD23 LEU 30 2HD2 LEU 30 4.945 -0.366 1.677
223 H VAL 31 H VAL 31 6.979 3.570 5.911
224 HA VAL 31 HA VAL 31 9.807 3.661 6.287
225 HB VAL 31 HB VAL 31 7.657 5.415 7.487
226 HG11 VAL 31 1HG1 VAL 31 9.738 5.519 8.768
227 HG12 VAL 31 2HG1 VAL 31 9.444 7.024 7.895
228 HG13 VAL 31 3HG1 VAL 31 10.632 5.870 7.288
229 HG21 VAL 31 3HG2 VAL 31 8.299 7.003 5.721
230 HG22 VAL 31 1HG2 VAL 31 7.652 5.501 5.063
231 HG23 VAL 31 2HG2 VAL 31 9.391 5.792 5.048
232 H ASN 32 H ASN 32 7.067 3.000 8.439
233 HA ASN 32 HA ASN 32 8.717 2.995 10.787
234 HB2 ASN 32 2HB ASN 32 6.394 3.710 10.933
235 HB3 ASN 32 1HB ASN 32 5.847 2.126 10.397
236 HD21 ASN 32 1HD2 ASN 32 5.787 0.443 11.846
237 HD22 ASN 32 2HD2 ASN 32 6.055 0.652 13.543
238 H THR 33 H THR 33 7.068 0.452 8.913
239 HA THR 33 HA THR 33 8.099 -1.547 10.761
240 HB THR 33 HB THR 33 6.351 -2.020 8.345
241 HG1 THR 33 1HG THR 33 5.382 -1.761 11.001
242 HG21 THR 33 3HG2 THR 33 6.736 -3.589 10.902
243 HG22 THR 33 1HG2 THR 33 7.418 -4.011 9.331
244 HG23 THR 33 2HG2 THR 33 5.669 -4.024 9.566
245 H GLU 34 H GLU 34 8.218 -0.921 7.238
246 HA GLU 34 HA GLU 34 10.111 -3.098 6.886
247 HB2 GLU 34 2HB GLU 34 9.820 -1.411 4.554
248 HB3 GLU 34 1HB GLU 34 9.458 -3.116 4.748
249 HG2 GLU 34 2HG GLU 34 7.552 -1.067 5.765
250 HG3 GLU 34 1HG GLU 34 7.622 -1.444 4.051
251 H LYS 35 H LYS 35 10.431 -0.131 8.038
252 HA LYS 35 HA LYS 35 11.983 1.491 8.216
253 HB2 LYS 35 2HB LYS 35 14.237 0.817 8.544
254 HB3 LYS 35 1HB LYS 35 13.221 -0.489 9.130
255 HG2 LYS 35 2HG LYS 35 14.079 -1.950 7.688
256 HG3 LYS 35 1HG LYS 35 14.010 -0.809 6.345
257 HD2 LYS 35 2HD LYS 35 16.037 0.306 7.311
258 HD3 LYS 35 1HD LYS 35 16.145 -1.030 8.459
259 HE2 LYS 35 2HE LYS 35 16.169 -1.332 5.461
260 HE3 LYS 35 1HE LYS 35 17.611 -1.289 6.475
261 HZ1 LYS 35 3HZ LYS 35 16.990 -3.548 5.964
262 HZ2 LYS 35 1HZ LYS 35 15.438 -3.319 6.615
263 HZ3 LYS 35 2HZ LYS 35 16.799 -3.263 7.626
264 H VAL 36 H VAL 36 10.847 1.145 5.552
265 HA VAL 36 HA VAL 36 13.009 1.615 3.694
266 HB VAL 36 HB VAL 36 10.007 1.629 3.337
267 HG11 VAL 36 1HG1 VAL 36 10.402 1.782 0.942
268 HG12 VAL 36 2HG1 VAL 36 12.139 1.918 1.223
269 HG13 VAL 36 3HG1 VAL 36 11.054 3.197 1.768
270 HG21 VAL 36 3HG2 VAL 36 10.428 -0.425 2.064
271 HG22 VAL 36 1HG2 VAL 36 10.978 -0.568 3.734
272 HG23 VAL 36 2HG2 VAL 36 12.146 -0.299 2.439
273 H ASN 37 H ASN 37 13.692 3.499 2.937
274 HA ASN 37 HA ASN 37 12.861 5.925 4.252
275 HB2 ASN 37 2HB ASN 37 15.232 5.475 3.724
276 HB3 ASN 37 1HB ASN 37 14.845 5.458 2.007
277 HD21 ASN 37 1HD2 ASN 37 15.219 7.413 4.847
278 HD22 ASN 37 2HD2 ASN 37 15.285 8.939 4.027
279 HA PRO 38 HA PRO 38 9.582 7.110 1.575
280 HB2 PRO 38 2HB PRO 38 10.737 9.839 1.877
281 HB3 PRO 38 1HB PRO 38 9.080 9.282 2.133
282 HG2 PRO 38 2HG PRO 38 10.658 9.769 4.208
283 HG3 PRO 38 1HG PRO 38 9.571 8.368 4.213
284 HD2 PRO 38 2HD PRO 38 12.522 8.479 3.785
285 HD3 PRO 38 1HD PRO 38 11.547 7.257 4.626
286 H LEU 39 H LEU 39 12.877 7.982 0.776
287 HA LEU 39 HA LEU 39 12.132 8.902 -1.879
288 HB2 LEU 39 2HB LEU 39 14.755 8.630 -0.437
289 HB3 LEU 39 1HB LEU 39 14.698 8.937 -2.160
290 HG LEU 39 HG LEU 39 15.026 11.028 -1.089
291 HD11 LEU 39 1HD1 LEU 39 13.014 12.275 -1.731
292 HD12 LEU 39 2HD1 LEU 39 12.140 10.751 -1.893
293 HD13 LEU 39 3HD1 LEU 39 13.503 11.103 -2.954
294 HD21 LEU 39 3HD2 LEU 39 12.629 10.404 0.628
295 HD22 LEU 39 1HD2 LEU 39 13.536 11.916 0.626
296 HD23 LEU 39 2HD2 LEU 39 14.311 10.424 1.159
297 H SER 40 H SER 40 12.568 5.938 -0.447
298 HA SER 40 HA SER 40 13.301 4.723 -3.029
299 HB2 SER 40 2HB SER 40 14.012 3.648 -0.289
300 HB3 SER 40 1HB SER 40 14.528 3.000 -1.849
301 HG SER 40 HG SER 40 15.461 5.225 -2.150
302 H ILE 41 H ILE 41 10.716 5.257 -1.315
303 HA ILE 41 HA ILE 41 9.700 2.836 -0.405
304 HB ILE 41 HB ILE 41 7.407 3.868 -0.843
305 HG12 ILE 41 2HG1 ILE 41 9.113 6.277 -1.525
306 HG13 ILE 41 1HG1 ILE 41 8.124 5.375 -2.668
307 HG21 ILE 41 1HG2 ILE 41 7.653 5.454 1.011
308 HG22 ILE 41 2HG2 ILE 41 9.408 5.344 0.859
309 HG23 ILE 41 3HG2 ILE 41 8.472 3.923 1.323
310 HD11 ILE 41 3HD1 ILE 41 7.033 7.429 -1.966
311 HD12 ILE 41 1HD1 ILE 41 7.101 6.898 -0.285
312 HD13 ILE 41 2HD1 ILE 41 6.117 6.013 -1.450
313 H ASP 42 H ASP 42 9.555 4.210 -3.661
314 HA ASP 42 HA ASP 42 7.537 2.539 -4.669
315 HB2 ASP 42 2HB ASP 42 8.121 3.334 -6.843
316 HB3 ASP 42 1HB ASP 42 8.339 4.673 -5.722
317 H TYR 43 H TYR 43 10.837 1.910 -4.031
318 HA TYR 43 HA TYR 43 11.156 -0.232 -5.917
319 HB2 TYR 43 2HB TYR 43 12.988 1.254 -4.898
320 HB3 TYR 43 1HB TYR 43 12.835 0.257 -3.458
321 HD1 TYR 43 1HD TYR 43 13.492 -2.133 -3.534
322 HD2 TYR 43 2HD TYR 43 14.103 0.466 -6.848
323 HE1 TYR 43 1HE TYR 43 15.086 -3.737 -4.490
324 HE2 TYR 43 2HE TYR 43 15.701 -1.136 -7.815
325 HH TYR 43 HH TYR 43 17.263 -3.003 -6.796
326 H TYR 44 H TYR 44 9.771 0.103 -2.786
327 HA TYR 44 HA TYR 44 9.901 -2.817 -2.372
328 HB2 TYR 44 2HB TYR 44 9.695 -0.695 -0.227
329 HB3 TYR 44 1HB TYR 44 9.890 -2.432 0.019
330 HD1 TYR 44 1HD TYR 44 11.546 0.657 -0.999
331 HD2 TYR 44 2HD TYR 44 12.044 -3.510 -0.332
332 HE1 TYR 44 1HE TYR 44 13.966 0.939 -1.113
333 HE2 TYR 44 2HE TYR 44 14.483 -3.235 -0.433
334 HH TYR 44 HH TYR 44 16.120 -1.636 -1.432
335 H TYR 45 H TYR 45 7.872 -0.398 -3.233
336 HA TYR 45 HA TYR 45 5.609 -2.086 -2.418
337 HB2 TYR 45 2HB TYR 45 4.272 -0.371 -1.673
338 HB3 TYR 45 1HB TYR 45 5.844 0.197 -1.136
339 HD1 TYR 45 2HD TYR 45 3.268 0.624 -3.790
340 HD2 TYR 45 1HD TYR 45 6.682 2.282 -1.869
341 HE1 TYR 45 2HE TYR 45 2.895 2.745 -4.972
342 HE2 TYR 45 1HE TYR 45 6.309 4.415 -3.036
343 HH TYR 45 HH TYR 45 5.206 5.238 -5.080
344 H GLN 46 H GLN 46 3.879 -2.198 -3.857
345 HA GLN 46 HA GLN 46 4.303 -0.897 -6.461
346 HB2 GLN 46 2HB GLN 46 3.341 -3.729 -6.031
347 HB3 GLN 46 1HB GLN 46 3.424 -2.908 -7.581
348 HG2 GLN 46 2HG GLN 46 5.879 -2.678 -7.254
349 HG3 GLN 46 1HG GLN 46 5.727 -3.673 -5.807
350 HE21 GLN 46 1HE2 GLN 46 6.990 -5.315 -6.599
351 HE22 GLN 46 2HE2 GLN 46 6.482 -6.367 -7.872
352 H SER 47 H SER 47 2.604 0.194 -7.186
353 HA SER 47 HA SER 47 0.112 0.084 -5.694
354 HB2 SER 47 2HB SER 47 0.851 1.838 -8.050
355 HB3 SER 47 1HB SER 47 -0.504 2.070 -6.945
356 HG SER 47 HG SER 47 1.980 2.970 -6.705
357 H PHE 48 H PHE 48 -1.609 -1.061 -6.333
358 HA PHE 48 HA PHE 48 -1.774 -1.826 -9.179
359 HB2 PHE 48 2HB PHE 48 -1.224 -3.728 -7.624
360 HB3 PHE 48 1HB PHE 48 -2.771 -3.457 -6.829
361 HD1 PHE 48 1HD PHE 48 -1.154 -4.508 -9.964
362 HD2 PHE 48 2HD PHE 48 -4.796 -4.256 -7.783
363 HE1 PHE 48 1HE PHE 48 -2.229 -5.997 -11.601
364 HE2 PHE 48 2HE PHE 48 -5.881 -5.743 -9.414
365 HZ PHE 48 HZ PHE 48 -4.601 -6.615 -11.324
366 H SER 49 H SER 49 -3.695 -1.450 -10.177
367 HA SER 49 HA SER 49 -5.685 0.004 -8.612
368 HB2 SER 49 2HB SER 49 -4.762 0.996 -10.714
369 HB3 SER 49 1HB SER 49 -5.498 -0.329 -11.613
370 HG SER 49 HG SER 49 -6.849 1.500 -11.611
371 H VAL 50 H VAL 50 -7.547 -0.864 -8.039
372 HA VAL 50 HA VAL 50 -8.506 -3.249 -9.482
373 HB VAL 50 HB VAL 50 -9.750 -3.861 -7.433
374 HG11 VAL 50 1HG1 VAL 50 -7.597 -4.890 -7.852
375 HG12 VAL 50 2HG1 VAL 50 -7.813 -4.625 -6.121
376 HG13 VAL 50 3HG1 VAL 50 -6.775 -3.548 -7.056
377 HG21 VAL 50 3HG2 VAL 50 -9.933 -1.626 -6.433
378 HG22 VAL 50 1HG2 VAL 50 -8.198 -1.633 -6.113
379 HG23 VAL 50 2HG2 VAL 50 -9.248 -2.793 -5.302
380 H SER 51 H SER 51 -10.945 -3.414 -9.496
381 HA SER 51 HA SER 51 -12.232 -0.796 -9.441
382 HB2 SER 51 2HB SER 51 -12.255 -2.587 -11.882
383 HB3 SER 51 1HB SER 51 -13.095 -1.045 -11.712
384 HG SER 51 HG SER 51 -10.360 -1.041 -11.202
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