Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
628351 | 5ukz RC | 30238 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 H1 LYS 1 1H LYS 1 -0.334 -0.943 -0.000
2 H2 LYS 1 2H LYS 1 -0.334 0.471 0.816
3 H3 LYS 1 3H LYS 1 -0.334 0.471 -0.816
4 HA LYS 1 HA LYS 1 1.804 -0.492 0.910
5 HB2 LYS 1 1HB LYS 1 1.624 -1.797 -1.177
6 HB3 LYS 1 2HB LYS 1 1.621 -0.316 -2.125
7 HG2 LYS 1 1HG LYS 1 3.906 0.182 -1.432
8 HG3 LYS 1 2HG LYS 1 3.917 -1.231 -0.368
9 HD2 LYS 1 1HD LYS 1 3.600 -2.714 -2.315
10 HD3 LYS 1 2HD LYS 1 3.558 -1.306 -3.387
11 HE2 LYS 1 1HE LYS 1 5.862 -0.721 -2.716
12 HE3 LYS 1 2HE LYS 1 5.907 -2.114 -1.632
13 HZ1 LYS 1 1HZ LYS 1 6.956 -2.587 -3.721
14 HZ2 LYS 1 2HZ LYS 1 5.619 -3.536 -3.543
15 HZ3 LYS 1 3HZ LYS 1 5.578 -2.235 -4.556
16 H TYR 2 H TYR 2 0.819 1.898 -1.565
17 HA TYR 2 HA TYR 2 3.063 3.627 -0.681
18 HB2 TYR 2 1HB TYR 2 1.193 3.826 -3.078
19 HB3 TYR 2 2HB TYR 2 2.487 4.962 -2.721
20 HD1 TYR 2 HD1 TYR 2 1.611 1.818 -4.225
21 HD2 TYR 2 HD2 TYR 2 4.880 4.116 -2.663
22 HE1 TYR 2 HE1 TYR 2 3.205 0.394 -5.466
23 HE2 TYR 2 HE2 TYR 2 6.474 2.693 -3.905
24 HH TYR 2 HH TYR 2 6.702 1.058 -5.399
25 H TYR 3 H TYR 3 -0.459 3.525 -0.853
26 HA TYR 3 HA TYR 3 -1.105 6.145 -0.137
27 HB2 TYR 3 1HB TYR 3 -2.781 4.392 -0.622
28 HB3 TYR 3 2HB TYR 3 -2.376 3.571 0.879
29 HD1 TYR 3 HD1 TYR 3 -3.783 6.712 -0.524
30 HD2 TYR 3 HD2 TYR 3 -3.349 4.203 2.929
31 HE1 TYR 3 HE1 TYR 3 -5.471 8.064 0.671
32 HE2 TYR 3 HE2 TYR 3 -5.037 5.556 4.124
33 HH TYR 3 HH TYR 3 -6.599 8.345 2.564
34 H GLY 4 H GLY 4 -0.485 7.429 1.419
35 HA2 GLY 4 1HA GLY 4 -0.478 7.933 3.805
36 HA3 GLY 4 2HA GLY 4 -0.034 6.269 4.135
37 H ASN 5 H ASN 5 1.817 6.643 1.608
38 HA ASN 5 HA ASN 5 4.078 7.789 3.184
39 HB2 ASN 5 1HB ASN 5 4.041 5.813 0.881
40 HB3 ASN 5 2HB ASN 5 5.508 6.517 1.546
41 HD21 ASN 5 1HD2 ASN 5 4.089 3.229 3.158
42 HD22 ASN 5 2HD2 ASN 5 3.771 3.818 1.561
43 H GLY 6 H GLY 6 2.416 9.648 2.095
44 HA2 GLY 6 1HA GLY 6 2.919 11.668 0.900
45 HA3 GLY 6 2HA GLY 6 4.082 10.796 -0.081
46 H VAL 7 H VAL 7 1.304 8.930 0.288
47 HA VAL 7 HA VAL 7 0.164 9.983 -2.268
48 HB VAL 7 HB VAL 7 0.363 7.078 -1.364
49 HG11 VAL 7 1HG1 VAL 7 -0.549 6.543 -3.570
50 HG12 VAL 7 2HG1 VAL 7 -1.686 7.502 -2.594
51 HG13 VAL 7 3HG1 VAL 7 -0.762 8.278 -3.902
52 HG21 VAL 7 1HG2 VAL 7 1.897 6.850 -3.291
53 HG22 VAL 7 2HG2 VAL 7 1.759 8.596 -3.606
54 HG23 VAL 7 3HG2 VAL 7 2.523 8.020 -2.106
55 H THR 8 H THR 8 -1.911 10.510 -2.233
56 HA THR 8 HA THR 8 -3.744 9.093 -0.403
57 HB THR 8 HB THR 8 -2.946 11.064 0.910
58 HG1 THR 8 HG1 THR 8 -5.627 11.519 0.088
59 HG21 THR 8 1HG2 THR 8 -3.606 13.321 0.176
60 HG22 THR 8 2HG2 THR 8 -2.487 12.575 -0.990
61 HG23 THR 8 3HG2 THR 8 -4.227 12.649 -1.349
62 H CYS 9 H CYS 9 -5.931 9.236 -0.964
63 HA CYS 9 HA CYS 9 -6.391 10.355 -3.698
64 HB2 CYS 9 1HB CYS 9 -7.517 7.832 -2.428
65 HB3 CYS 9 2HB CYS 9 -8.122 8.524 -3.926
66 H GLY 10 H GLY 10 -8.349 11.343 -4.134
67 HA2 GLY 10 1HA GLY 10 -9.849 12.229 -1.716
68 HA3 GLY 10 2HA GLY 10 -9.830 13.044 -3.268
69 H LYS 11 H LYS 11 -11.771 12.965 -4.194
70 HA LYS 11 HA LYS 11 -13.534 10.646 -3.650
71 HB2 LYS 11 1HB LYS 11 -14.414 12.957 -3.331
72 HB3 LYS 11 2HB LYS 11 -14.132 13.291 -5.034
73 HG2 LYS 11 1HG LYS 11 -15.770 11.605 -5.682
74 HG3 LYS 11 2HG LYS 11 -16.003 11.147 -3.989
75 HD2 LYS 11 1HD LYS 11 -16.796 13.447 -3.486
76 HD3 LYS 11 2HD LYS 11 -16.592 13.878 -5.191
77 HE2 LYS 11 1HE LYS 11 -18.227 12.120 -5.819
78 HE3 LYS 11 2HE LYS 11 -18.446 11.721 -4.114
79 HZ1 LYS 11 1HZ LYS 11 -20.152 13.190 -4.902
80 HZ2 LYS 11 2HZ LYS 11 -19.247 13.954 -3.754
81 HZ3 LYS 11 3HZ LYS 11 -19.044 14.326 -5.348
82 H HIS 12 H HIS 12 -12.524 12.598 -6.484
83 HA HIS 12 HA HIS 12 -13.277 10.266 -8.203
84 HB2 HIS 12 1HB HIS 12 -13.002 13.212 -8.904
85 HB3 HIS 12 2HB HIS 12 -13.397 11.932 -10.042
86 HD1 HIS 12 HD1 HIS 12 -15.679 10.497 -9.280
87 HD2 HIS 12 HD2 HIS 12 -15.311 14.409 -7.757
88 HE1 HIS 12 HE1 HIS 12 -17.939 11.198 -8.669
89 H SER 13 H SER 13 -10.632 12.061 -7.003
90 HA SER 13 HA SER 13 -8.838 10.827 -9.019
91 HB2 SER 13 1HB SER 13 -7.706 12.916 -9.471
92 HB3 SER 13 2HB SER 13 -9.413 13.096 -9.845
93 HG SER 13 HG SER 13 -7.877 14.268 -7.924
94 H CYS 14 H CYS 14 -6.609 10.783 -8.401
95 HA CYS 14 HA CYS 14 -6.243 11.035 -5.449
96 HB2 CYS 14 1HB CYS 14 -4.719 9.347 -7.472
97 HB3 CYS 14 2HB CYS 14 -4.341 9.451 -5.759
98 H SER 15 H SER 15 -4.039 11.611 -4.728
99 HA SER 15 HA SER 15 -2.447 13.204 -6.620
100 HB2 SER 15 1HB SER 15 -4.157 14.805 -5.899
101 HB3 SER 15 2HB SER 15 -3.812 14.452 -4.213
102 HG SER 15 HG SER 15 -1.713 15.187 -4.554
103 H VAL 16 H VAL 16 -0.358 13.608 -5.941
104 HA VAL 16 HA VAL 16 0.399 12.269 -3.378
105 HB VAL 16 HB VAL 16 2.451 11.475 -4.471
106 HG11 VAL 16 1HG1 VAL 16 1.468 9.808 -5.969
107 HG12 VAL 16 2HG1 VAL 16 0.509 10.018 -4.485
108 HG13 VAL 16 3HG1 VAL 16 -0.046 10.742 -6.013
109 HG21 VAL 16 1HG2 VAL 16 2.730 11.723 -6.917
110 HG22 VAL 16 2HG2 VAL 16 1.256 12.718 -6.983
111 HG23 VAL 16 3HG2 VAL 16 2.691 13.308 -6.110
112 H ASP 17 H ASP 17 2.419 12.995 -2.433
113 HA ASP 17 HA ASP 17 2.629 15.874 -2.440
114 HB2 ASP 17 1HB ASP 17 4.330 13.696 -1.171
115 HB3 ASP 17 2HB ASP 17 4.640 15.412 -0.946
116 H TRP 18 H TRP 18 4.529 17.127 -2.881
117 HA TRP 18 HA TRP 18 5.592 16.640 -5.478
118 HB2 TRP 18 1HB TRP 18 6.491 18.510 -3.254
119 HB3 TRP 18 2HB TRP 18 7.196 18.513 -4.864
120 HD1 TRP 18 HD1 TRP 18 4.313 19.891 -2.908
121 HE1 TRP 18 HE1 TRP 18 2.747 21.256 -4.446
122 HE3 TRP 18 HE3 TRP 18 6.232 18.468 -7.446
123 HZ2 TRP 18 HZ2 TRP 18 2.397 21.662 -7.218
124 HZ3 TRP 18 HZ3 TRP 18 5.234 19.381 -9.504
125 HH2 TRP 18 HH2 TRP 18 3.348 20.956 -9.399
126 H GLY 19 H GLY 19 7.216 15.453 -6.184
127 HA2 GLY 19 1HA GLY 19 9.489 14.630 -6.039
128 HA3 GLY 19 2HA GLY 19 9.386 14.684 -4.289
129 H LYS 20 H LYS 20 6.474 13.526 -4.925
130 HA LYS 20 HA LYS 20 7.363 10.712 -4.682
131 HB2 LYS 20 1HB LYS 20 4.586 11.924 -4.376
132 HB3 LYS 20 2HB LYS 20 5.033 10.262 -4.015
133 HG2 LYS 20 1HG LYS 20 6.114 12.713 -2.591
134 HG3 LYS 20 2HG LYS 20 4.839 11.643 -1.992
135 HD2 LYS 20 1HD LYS 20 6.441 9.736 -2.049
136 HD3 LYS 20 2HD LYS 20 7.713 10.845 -2.582
137 HE2 LYS 20 1HE LYS 20 7.393 12.174 -0.497
138 HE3 LYS 20 2HE LYS 20 6.182 11.007 0.040
139 HZ1 LYS 20 1HZ LYS 20 8.325 10.551 0.982
140 HZ2 LYS 20 2HZ LYS 20 7.879 9.311 -0.009
141 HZ3 LYS 20 3HZ LYS 20 9.010 10.401 -0.510
142 H ALA 21 H ALA 21 6.459 9.018 -5.912
143 HA ALA 21 HA ALA 21 6.255 9.697 -8.716
144 HB1 ALA 21 1HB ALA 21 5.952 7.263 -9.038
145 HB2 ALA 21 2HB ALA 21 7.333 7.621 -7.974
146 HB3 ALA 21 3HB ALA 21 5.796 7.058 -7.278
147 H THR 22 H THR 22 4.544 9.396 -10.140
148 HA THR 22 HA THR 22 1.878 9.606 -8.827
149 HB THR 22 HB THR 22 1.107 10.547 -10.999
150 HG1 THR 22 HG1 THR 22 2.753 11.025 -12.562
151 HG21 THR 22 1HG2 THR 22 2.346 12.672 -10.867
152 HG22 THR 22 2HG2 THR 22 1.962 12.058 -9.241
153 HG23 THR 22 3HG2 THR 22 3.607 11.882 -9.894
154 H THR 23 H THR 23 3.516 7.115 -9.478
155 HA THR 23 HA THR 23 2.308 5.749 -11.657
156 HB THR 23 HB THR 23 3.504 4.623 -9.088
157 HG1 THR 23 HG1 THR 23 5.233 4.231 -10.789
158 HG21 THR 23 1HG2 THR 23 3.765 2.542 -10.382
159 HG22 THR 23 2HG2 THR 23 2.048 2.986 -10.232
160 HG23 THR 23 3HG2 THR 23 2.915 3.285 -11.756
161 H CYS 24 H CYS 24 1.411 5.929 -8.219
162 HA CYS 24 HA CYS 24 -0.754 4.080 -8.352
163 HB2 CYS 24 1HB CYS 24 -0.205 6.446 -6.530
164 HB3 CYS 24 2HB CYS 24 -1.601 5.398 -6.325
165 H ILE 25 H ILE 25 -0.576 7.590 -8.899
166 HA ILE 25 HA ILE 25 -3.368 8.027 -9.253
167 HB ILE 25 HB ILE 25 -0.939 9.483 -10.366
168 HG12 ILE 25 1HG1 ILE 25 -2.868 10.298 -8.186
169 HG13 ILE 25 2HG1 ILE 25 -1.361 9.449 -7.880
170 HG21 ILE 25 1HG2 ILE 25 -2.490 11.307 -10.939
171 HG22 ILE 25 2HG2 ILE 25 -2.870 9.833 -11.859
172 HG23 ILE 25 3HG2 ILE 25 -3.870 10.290 -10.460
173 HD11 ILE 25 1HD1 ILE 25 -1.102 11.842 -7.542
174 HD12 ILE 25 2HD1 ILE 25 -0.099 11.290 -8.905
175 HD13 ILE 25 3HD1 ILE 25 -1.625 12.152 -9.214
176 H ILE 26 H ILE 26 -0.794 7.215 -11.584
177 HA ILE 26 HA ILE 26 -2.467 7.287 -13.897
178 HB ILE 26 HB ILE 26 0.133 5.815 -13.318
179 HG12 ILE 26 1HG1 ILE 26 -0.384 8.227 -15.063
180 HG13 ILE 26 2HG1 ILE 26 0.079 8.341 -13.372
181 HG21 ILE 26 1HG2 ILE 26 0.282 5.438 -15.746
182 HG22 ILE 26 2HG2 ILE 26 -1.129 4.604 -15.055
183 HG23 ILE 26 3HG2 ILE 26 -1.347 6.123 -15.956
184 HD11 ILE 26 1HD1 ILE 26 2.008 8.597 -14.829
185 HD12 ILE 26 2HD1 ILE 26 2.158 7.120 -13.846
186 HD13 ILE 26 3HD1 ILE 26 1.690 7.007 -15.560
187 H ASN 27 H ASN 27 -1.494 4.605 -11.753
188 HA ASN 27 HA ASN 27 -2.825 2.575 -13.274
189 HB2 ASN 27 1HB ASN 27 -1.888 2.723 -10.400
190 HB3 ASN 27 2HB ASN 27 -2.683 1.297 -11.053
191 HD21 ASN 27 1HD2 ASN 27 0.980 0.872 -11.347
192 HD22 ASN 27 2HD2 ASN 27 -0.140 1.156 -10.057
193 H ASN 28 H ASN 28 -3.839 4.485 -10.447
194 HA ASN 28 HA ASN 28 -6.378 3.177 -10.164
195 HB2 ASN 28 1HB ASN 28 -5.337 5.876 -9.268
196 HB3 ASN 28 2HB ASN 28 -6.970 5.330 -8.913
197 HD21 ASN 28 1HD2 ASN 28 -4.721 4.493 -6.078
198 HD22 ASN 28 2HD2 ASN 28 -5.136 5.942 -6.932
199 H GLY 29 H GLY 29 -5.313 6.004 -12.014
200 HA2 GLY 29 1HA GLY 29 -7.871 6.833 -12.959
201 HA3 GLY 29 2HA GLY 29 -6.341 7.124 -13.765
202 H ALA 30 H ALA 30 -5.451 4.580 -14.341
203 HA ALA 30 HA ALA 30 -6.939 3.920 -16.670
204 HB1 ALA 30 1HB ALA 30 -5.476 1.929 -16.790
205 HB2 ALA 30 2HB ALA 30 -4.552 3.406 -16.429
206 HB3 ALA 30 3HB ALA 30 -4.921 2.248 -15.130
207 H LEU 31 H LEU 31 -6.865 2.442 -13.436
208 HA LEU 31 HA LEU 31 -8.651 0.295 -14.050
209 HB2 LEU 31 1HB LEU 31 -7.994 1.724 -11.455
210 HB3 LEU 31 2HB LEU 31 -9.050 0.310 -11.540
211 HG LEU 31 HG LEU 31 -6.146 0.327 -12.433
212 HD11 LEU 31 1HD1 LEU 31 -5.714 -0.874 -10.337
213 HD12 LEU 31 2HD1 LEU 31 -6.332 0.767 -10.039
214 HD13 LEU 31 3HD1 LEU 31 -7.409 -0.637 -9.852
215 HD21 LEU 31 1HD2 LEU 31 -6.448 -2.125 -12.386
216 HD22 LEU 31 2HD2 LEU 31 -8.155 -1.907 -11.929
217 HD23 LEU 31 3HD2 LEU 31 -7.584 -1.363 -13.525
218 H ALA 32 H ALA 32 -9.182 3.602 -12.857
219 HA ALA 32 HA ALA 32 -11.996 3.363 -12.482
220 HB1 ALA 32 1HB ALA 32 -12.011 5.833 -12.620
221 HB2 ALA 32 2HB ALA 32 -10.695 5.238 -11.579
222 HB3 ALA 32 3HB ALA 32 -10.340 5.800 -13.229
223 H TRP 33 H TRP 33 -10.047 4.233 -15.319
224 HA TRP 33 HA TRP 33 -12.300 4.875 -16.989
225 HB2 TRP 33 1HB TRP 33 -9.471 4.008 -17.705
226 HB3 TRP 33 2HB TRP 33 -10.649 4.614 -18.860
227 HD1 TRP 33 HD1 TRP 33 -11.703 6.952 -16.682
228 HE1 TRP 33 HE1 TRP 33 -10.257 9.087 -16.486
229 HE3 TRP 33 HE3 TRP 33 -7.324 5.119 -18.624
230 HZ2 TRP 33 HZ2 TRP 33 -7.608 9.863 -17.081
231 HZ3 TRP 33 HZ3 TRP 33 -5.371 6.611 -18.785
232 HH2 TRP 33 HH2 TRP 33 -5.503 8.946 -18.024
233 H ALA 34 H ALA 34 -10.462 1.908 -16.363
234 HA ALA 34 HA ALA 34 -11.688 0.414 -18.500
235 HB1 ALA 34 1HB ALA 34 -10.689 -1.554 -17.384
236 HB2 ALA 34 2HB ALA 34 -9.517 -0.225 -17.552
237 HB3 ALA 34 3HB ALA 34 -10.284 -0.542 -15.979
238 H THR 35 H THR 35 -12.393 0.818 -15.049
239 HA THR 35 HA THR 35 -14.569 -1.184 -15.271
240 HB THR 35 HB THR 35 -14.685 -1.045 -12.809
241 HG1 THR 35 HG1 THR 35 -12.479 0.750 -12.933
242 HG21 THR 35 1HG2 THR 35 -12.442 -1.927 -12.297
243 HG22 THR 35 2HG2 THR 35 -13.047 -2.583 -13.836
244 HG23 THR 35 3HG2 THR 35 -11.832 -1.284 -13.839
245 H GLY 36 H GLY 36 -14.066 2.200 -15.303
246 HA2 GLY 36 1HA GLY 36 -15.662 3.896 -15.602
247 HA3 GLY 36 2HA GLY 36 -16.945 2.721 -15.382
248 H GLY 37 H GLY 37 -14.261 3.121 -13.120
249 HA2 GLY 37 1HA GLY 37 -16.269 3.820 -11.021
250 HA3 GLY 37 2HA GLY 37 -14.751 2.991 -10.737
251 H HIS 38 H HIS 38 -14.124 4.500 -9.151
252 HA HIS 38 HA HIS 38 -13.164 7.099 -10.272
253 HB2 HIS 38 1HB HIS 38 -14.534 6.782 -7.577
254 HB3 HIS 38 2HB HIS 38 -13.854 8.264 -8.234
255 HD2 HIS 38 HD2 HIS 38 -17.117 6.202 -8.401
256 HE1 HIS 38 HE1 HIS 38 -17.496 9.452 -11.132
257 HE2 HIS 38 HE2 HIS 38 -18.716 7.549 -9.952
258 H GLN 39 H GLN 39 -11.350 7.993 -9.278
259 HA GLN 39 HA GLN 39 -9.448 5.967 -8.544
260 HB2 GLN 39 1HB GLN 39 -9.278 9.005 -8.514
261 HB3 GLN 39 2HB GLN 39 -7.913 7.947 -8.183
262 HG2 GLN 39 1HG GLN 39 -8.093 6.982 -10.426
263 HG3 GLN 39 2HG GLN 39 -9.490 8.043 -10.764
264 HE21 GLN 39 1HE2 GLN 39 -7.144 10.162 -12.283
265 HE22 GLN 39 2HE2 GLN 39 -8.428 9.024 -12.517
266 H GLY 40 H GLY 40 -11.560 8.033 -6.728
267 HA2 GLY 40 1HA GLY 40 -10.144 7.916 -4.213
268 HA3 GLY 40 2HA GLY 40 -11.832 8.333 -4.437
269 H ASN 41 H ASN 41 -12.075 5.674 -6.011
270 HA ASN 41 HA ASN 41 -12.683 4.048 -3.613
271 HB2 ASN 41 1HB ASN 41 -13.415 3.738 -6.541
272 HB3 ASN 41 2HB ASN 41 -13.833 2.564 -5.300
273 HD21 ASN 41 1HD2 ASN 41 -16.569 5.098 -5.919
274 HD22 ASN 41 2HD2 ASN 41 -15.571 4.173 -6.990
275 H HIS 42 H HIS 42 -10.461 4.179 -6.290
276 HA HIS 42 HA HIS 42 -9.525 1.421 -5.910
277 HB2 HIS 42 1HB HIS 42 -8.370 3.722 -7.529
278 HB3 HIS 42 2HB HIS 42 -7.775 2.068 -7.550
279 HD1 HIS 42 HD1 HIS 42 -10.011 0.290 -8.056
280 HD2 HIS 42 HD2 HIS 42 -10.086 4.156 -9.733
281 HE1 HIS 42 HE1 HIS 42 -11.507 0.160 -9.984
282 H LYS 43 H LYS 43 -7.438 0.816 -5.237
283 HA LYS 43 HA LYS 43 -6.265 2.754 -3.285
284 HB2 LYS 43 1HB LYS 43 -6.630 -0.253 -2.985
285 HB3 LYS 43 2HB LYS 43 -5.715 0.755 -1.872
286 HG2 LYS 43 1HG LYS 43 -7.773 2.042 -1.364
287 HG3 LYS 43 2HG LYS 43 -8.683 0.983 -2.450
288 HD2 LYS 43 1HD LYS 43 -8.055 -0.973 -1.065
289 HD3 LYS 43 2HD LYS 43 -7.155 0.092 0.025
290 HE2 LYS 43 1HE LYS 43 -9.237 1.316 0.553
291 HE3 LYS 43 2HE LYS 43 -10.139 0.262 -0.540
292 HZ1 LYS 43 1HZ LYS 43 -10.333 -0.447 1.729
293 HZ2 LYS 43 2HZ LYS 43 -9.540 -1.598 0.852
294 HZ3 LYS 43 3HZ LYS 43 -8.699 -0.613 1.874
295 H CYS 44 H CYS 44 -4.021 2.461 -2.767
296 HA CYS 44 HA CYS 44 -2.391 0.744 -4.465
297 HB2 CYS 44 1HB CYS 44 -2.908 2.625 -6.020
298 HB3 CYS 44 2HB CYS 44 -2.227 3.757 -4.860
Start of MODEL 2
1 H1 LYS 1 1H LYS 1 0.676 0.179 -1.655
2 H2 LYS 1 2H LYS 1 0.293 0.596 -0.124
3 H3 LYS 1 3H LYS 1 -0.559 1.208 -1.374
4 HA LYS 1 HA LYS 1 2.245 1.722 -0.782
5 HB2 LYS 1 1HB LYS 1 1.781 1.696 -3.208
6 HB3 LYS 1 2HB LYS 1 0.444 2.813 -2.982
7 HG2 LYS 1 1HG LYS 1 2.326 4.039 -3.809
8 HG3 LYS 1 2HG LYS 1 2.064 4.514 -2.125
9 HD2 LYS 1 1HD LYS 1 3.866 3.021 -1.392
10 HD3 LYS 1 2HD LYS 1 4.096 2.450 -3.051
11 HE2 LYS 1 1HE LYS 1 4.731 4.721 -3.761
12 HE3 LYS 1 2HE LYS 1 4.461 5.322 -2.123
13 HZ1 LYS 1 1HZ LYS 1 6.770 4.884 -2.534
14 HZ2 LYS 1 2HZ LYS 1 6.211 3.866 -1.364
15 HZ3 LYS 1 3HZ LYS 1 6.463 3.305 -2.894
16 H TYR 2 H TYR 2 -1.021 3.146 -1.136
17 HA TYR 2 HA TYR 2 -0.234 5.109 0.979
18 HB2 TYR 2 1HB TYR 2 -2.188 5.487 -1.329
19 HB3 TYR 2 2HB TYR 2 -1.877 6.663 -0.060
20 HD1 TYR 2 HD1 TYR 2 -1.095 5.761 -3.329
21 HD2 TYR 2 HD2 TYR 2 0.737 7.218 0.267
22 HE1 TYR 2 HE1 TYR 2 0.763 6.705 -4.657
23 HE2 TYR 2 HE2 TYR 2 2.595 8.162 -1.061
24 HH TYR 2 HH TYR 2 2.505 8.252 -4.545
25 H TYR 3 H TYR 3 -2.607 2.819 -0.178
26 HA TYR 3 HA TYR 3 -4.788 3.416 1.485
27 HB2 TYR 3 1HB TYR 3 -4.949 1.690 -0.212
28 HB3 TYR 3 2HB TYR 3 -3.695 0.732 0.563
29 HD1 TYR 3 HD1 TYR 3 -7.157 2.019 0.975
30 HD2 TYR 3 HD2 TYR 3 -4.199 -0.804 2.277
31 HE1 TYR 3 HE1 TYR 3 -8.880 0.811 2.273
32 HE2 TYR 3 HE2 TYR 3 -5.922 -2.012 3.574
33 HH TYR 3 HH TYR 3 -8.054 -2.099 4.165
34 H GLY 4 H GLY 4 -1.841 1.570 2.245
35 HA2 GLY 4 1HA GLY 4 -2.847 0.701 4.830
36 HA3 GLY 4 2HA GLY 4 -1.220 0.482 4.215
37 H ASN 5 H ASN 5 -1.645 3.640 3.687
38 HA ASN 5 HA ASN 5 -0.527 4.391 6.342
39 HB2 ASN 5 1HB ASN 5 -0.439 5.762 3.638
40 HB3 ASN 5 2HB ASN 5 0.148 6.499 5.122
41 HD21 ASN 5 1HD2 ASN 5 2.732 4.494 3.086
42 HD22 ASN 5 2HD2 ASN 5 1.396 5.449 2.535
43 H GLY 6 H GLY 6 -3.465 4.197 5.022
44 HA2 GLY 6 1HA GLY 6 -5.478 5.114 5.793
45 HA3 GLY 6 2HA GLY 6 -4.574 6.205 6.825
46 H VAL 7 H VAL 7 -3.811 5.957 3.416
47 HA VAL 7 HA VAL 7 -4.807 8.750 3.082
48 HB VAL 7 HB VAL 7 -2.637 7.232 1.571
49 HG11 VAL 7 1HG1 VAL 7 -2.164 9.371 0.480
50 HG12 VAL 7 2HG1 VAL 7 -3.802 8.780 0.108
51 HG13 VAL 7 3HG1 VAL 7 -3.576 10.094 1.288
52 HG21 VAL 7 1HG2 VAL 7 -1.120 8.850 2.670
53 HG22 VAL 7 2HG2 VAL 7 -2.503 9.549 3.545
54 HG23 VAL 7 3HG2 VAL 7 -1.999 7.874 3.871
55 H THR 8 H THR 8 -6.351 9.198 1.658
56 HA THR 8 HA THR 8 -7.317 6.932 -0.025
57 HB THR 8 HB THR 8 -9.516 7.994 0.023
58 HG1 THR 8 HG1 THR 8 -9.752 10.024 0.611
59 HG21 THR 8 1HG2 THR 8 -10.001 7.852 2.434
60 HG22 THR 8 2HG2 THR 8 -8.918 6.535 1.926
61 HG23 THR 8 3HG2 THR 8 -8.262 7.941 2.794
62 H CYS 9 H CYS 9 -8.558 7.678 -2.015
63 HA CYS 9 HA CYS 9 -6.953 9.808 -3.364
64 HB2 CYS 9 1HB CYS 9 -8.302 7.343 -4.530
65 HB3 CYS 9 2HB CYS 9 -7.566 8.615 -5.493
66 H GLY 10 H GLY 10 -8.065 10.987 -5.096
67 HA2 GLY 10 1HA GLY 10 -10.854 11.622 -4.285
68 HA3 GLY 10 2HA GLY 10 -9.805 12.637 -5.256
69 H LYS 11 H LYS 11 -10.927 12.903 -7.111
70 HA LYS 11 HA LYS 11 -12.256 10.557 -8.336
71 HB2 LYS 11 1HB LYS 11 -13.518 12.691 -8.105
72 HB3 LYS 11 2HB LYS 11 -12.328 13.499 -9.116
73 HG2 LYS 11 1HG LYS 11 -12.938 12.092 -11.020
74 HG3 LYS 11 2HG LYS 11 -14.077 11.189 -10.012
75 HD2 LYS 11 1HD LYS 11 -15.356 13.279 -9.605
76 HD3 LYS 11 2HD LYS 11 -14.227 14.161 -10.643
77 HE2 LYS 11 1HE LYS 11 -14.842 12.691 -12.546
78 HE3 LYS 11 2HE LYS 11 -15.989 11.839 -11.509
79 HZ1 LYS 11 1HZ LYS 11 -17.064 13.513 -12.824
80 HZ2 LYS 11 2HZ LYS 11 -17.179 13.904 -11.225
81 HZ3 LYS 11 3HZ LYS 11 -16.107 14.699 -12.195
82 H HIS 12 H HIS 12 -10.131 13.232 -9.426
83 HA HIS 12 HA HIS 12 -9.234 11.451 -11.656
84 HB2 HIS 12 1HB HIS 12 -9.138 14.478 -11.388
85 HB3 HIS 12 2HB HIS 12 -8.485 13.565 -12.741
86 HD1 HIS 12 HD1 HIS 12 -10.425 11.934 -13.949
87 HD2 HIS 12 HD2 HIS 12 -11.828 15.286 -11.814
88 HE1 HIS 12 HE1 HIS 12 -12.654 12.407 -14.828
89 H SER 13 H SER 13 -8.303 12.264 -8.640
90 HA SER 13 HA SER 13 -5.570 11.440 -9.154
91 HB2 SER 13 1HB SER 13 -4.430 13.416 -8.395
92 HB3 SER 13 2HB SER 13 -5.473 13.867 -9.734
93 HG SER 13 HG SER 13 -5.573 14.533 -7.089
94 H CYS 14 H CYS 14 -4.289 11.291 -7.148
95 HA CYS 14 HA CYS 14 -6.087 10.635 -4.880
96 HB2 CYS 14 1HB CYS 14 -3.181 9.922 -5.433
97 HB3 CYS 14 2HB CYS 14 -4.044 9.477 -3.968
98 H SER 15 H SER 15 -5.563 11.245 -2.726
99 HA SER 15 HA SER 15 -4.384 13.953 -2.620
100 HB2 SER 15 1HB SER 15 -6.572 13.573 -1.574
101 HB3 SER 15 2HB SER 15 -5.889 12.319 -0.551
102 HG SER 15 HG SER 15 -4.330 14.288 -0.180
103 H VAL 16 H VAL 16 -2.186 13.576 -2.783
104 HA VAL 16 HA VAL 16 -0.994 12.227 -0.400
105 HB VAL 16 HB VAL 16 0.819 11.372 -1.836
106 HG11 VAL 16 1HG1 VAL 16 -0.445 9.653 -3.033
107 HG12 VAL 16 2HG1 VAL 16 -1.089 9.938 -1.398
108 HG13 VAL 16 3HG1 VAL 16 -1.936 10.600 -2.817
109 HG21 VAL 16 1HG2 VAL 16 0.608 11.511 -4.298
110 HG22 VAL 16 2HG2 VAL 16 -0.848 12.518 -4.114
111 HG23 VAL 16 3HG2 VAL 16 0.733 13.130 -3.571
112 H ASP 17 H ASP 17 1.223 12.910 0.074
113 HA ASP 17 HA ASP 17 1.430 15.796 -0.016
114 HB2 ASP 17 1HB ASP 17 3.325 13.630 0.968
115 HB3 ASP 17 2HB ASP 17 3.674 15.348 1.100
116 H TRP 18 H TRP 18 3.172 17.039 -0.863
117 HA TRP 18 HA TRP 18 3.887 16.379 -3.553
118 HB2 TRP 18 1HB TRP 18 4.981 18.454 -1.615
119 HB3 TRP 18 2HB TRP 18 5.482 18.343 -3.297
120 HD1 TRP 18 HD1 TRP 18 2.805 19.787 -1.106
121 HE1 TRP 18 HE1 TRP 18 1.010 20.976 -2.539
122 HE3 TRP 18 HE3 TRP 18 4.215 18.063 -5.726
123 HZ2 TRP 18 HZ2 TRP 18 0.310 21.145 -5.269
124 HZ3 TRP 18 HZ3 TRP 18 2.939 18.775 -7.709
125 HH2 TRP 18 HH2 TRP 18 1.017 20.294 -7.491
126 H GLY 19 H GLY 19 5.479 15.221 -4.380
127 HA2 GLY 19 1HA GLY 19 7.831 14.544 -4.400
128 HA3 GLY 19 2HA GLY 19 7.826 14.568 -2.646
129 H LYS 20 H LYS 20 4.921 13.319 -3.150
130 HA LYS 20 HA LYS 20 5.824 10.551 -2.859
131 HB2 LYS 20 1HB LYS 20 3.020 11.729 -3.009
132 HB3 LYS 20 2HB LYS 20 3.398 10.059 -2.611
133 HG2 LYS 20 1HG LYS 20 4.291 12.463 -0.992
134 HG3 LYS 20 2HG LYS 20 2.890 11.446 -0.628
135 HD2 LYS 20 1HD LYS 20 4.415 9.467 -0.472
136 HD3 LYS 20 2HD LYS 20 5.792 10.548 -0.724
137 HE2 LYS 20 1HE LYS 20 5.126 11.828 1.309
138 HE3 LYS 20 2HE LYS 20 3.807 10.685 1.575
139 HZ1 LYS 20 1HZ LYS 20 5.727 10.136 2.879
140 HZ2 LYS 20 2HZ LYS 20 5.441 8.939 1.781
141 HZ3 LYS 20 3HZ LYS 20 6.672 10.007 1.534
142 H ALA 21 H ALA 21 5.053 8.782 -4.137
143 HA ALA 21 HA ALA 21 5.550 9.288 -6.919
144 HB1 ALA 21 1HB ALA 21 5.099 6.873 -7.205
145 HB2 ALA 21 2HB ALA 21 6.199 7.182 -5.840
146 HB3 ALA 21 3HB ALA 21 4.489 6.798 -5.536
147 H THR 22 H THR 22 4.247 9.266 -8.689
148 HA THR 22 HA THR 22 1.326 9.476 -8.102
149 HB THR 22 HB THR 22 1.171 10.827 -10.185
150 HG1 THR 22 HG1 THR 22 3.787 11.404 -10.470
151 HG21 THR 22 1HG2 THR 22 2.324 12.833 -9.339
152 HG22 THR 22 2HG2 THR 22 1.518 11.958 -8.017
153 HG23 THR 22 3HG2 THR 22 3.279 11.822 -8.230
154 H THR 23 H THR 23 3.338 7.188 -8.968
155 HA THR 23 HA THR 23 2.273 6.260 -11.482
156 HB THR 23 HB THR 23 3.382 4.116 -10.917
157 HG1 THR 23 HG1 THR 23 3.299 3.760 -8.808
158 HG21 THR 23 1HG2 THR 23 5.678 4.980 -10.703
159 HG22 THR 23 2HG2 THR 23 4.731 5.968 -11.840
160 HG23 THR 23 3HG2 THR 23 5.041 6.559 -10.191
161 H CYS 24 H CYS 24 1.325 5.880 -8.118
162 HA CYS 24 HA CYS 24 -0.683 3.888 -8.528
163 HB2 CYS 24 1HB CYS 24 -0.404 6.138 -6.511
164 HB3 CYS 24 2HB CYS 24 -1.757 5.016 -6.486
165 H ILE 25 H ILE 25 -0.753 7.447 -8.730
166 HA ILE 25 HA ILE 25 -3.535 7.704 -9.254
167 HB ILE 25 HB ILE 25 -1.164 9.447 -10.033
168 HG12 ILE 25 1HG1 ILE 25 -3.303 9.877 -7.939
169 HG13 ILE 25 2HG1 ILE 25 -1.748 9.130 -7.604
170 HG21 ILE 25 1HG2 ILE 25 -2.816 11.199 -10.547
171 HG22 ILE 25 2HG2 ILE 25 -3.007 9.803 -11.632
172 HG23 ILE 25 3HG2 ILE 25 -4.137 10.038 -10.279
173 HD11 ILE 25 1HD1 ILE 25 -1.733 11.490 -7.018
174 HD12 ILE 25 2HD1 ILE 25 -0.595 11.168 -8.348
175 HD13 ILE 25 3HD1 ILE 25 -2.170 11.925 -8.687
176 H ILE 26 H ILE 26 -0.761 7.279 -11.449
177 HA ILE 26 HA ILE 26 -2.224 7.445 -13.881
178 HB ILE 26 HB ILE 26 0.335 5.965 -13.161
179 HG12 ILE 26 1HG1 ILE 26 -0.062 8.472 -14.802
180 HG13 ILE 26 2HG1 ILE 26 0.245 8.489 -13.072
181 HG21 ILE 26 1HG2 ILE 26 0.705 5.737 -15.584
182 HG22 ILE 26 2HG2 ILE 26 -0.749 4.848 -15.074
183 HG23 ILE 26 3HG2 ILE 26 -0.909 6.416 -15.899
184 HD11 ILE 26 1HD1 ILE 26 2.294 8.852 -14.329
185 HD12 ILE 26 2HD1 ILE 26 2.378 7.321 -13.424
186 HD13 ILE 26 3HD1 ILE 26 2.069 7.305 -15.177
187 H ASN 27 H ASN 27 -1.337 4.607 -11.894
188 HA ASN 27 HA ASN 27 -2.635 2.708 -13.607
189 HB2 ASN 27 1HB ASN 27 -1.790 2.623 -10.700
190 HB3 ASN 27 2HB ASN 27 -2.556 1.256 -11.498
191 HD21 ASN 27 1HD2 ASN 27 1.156 0.958 -11.675
192 HD22 ASN 27 2HD2 ASN 27 0.015 1.194 -10.394
193 H ASN 28 H ASN 28 -3.737 4.557 -10.794
194 HA ASN 28 HA ASN 28 -6.258 3.187 -10.564
195 HB2 ASN 28 1HB ASN 28 -5.281 5.885 -9.595
196 HB3 ASN 28 2HB ASN 28 -6.902 5.289 -9.267
197 HD21 ASN 28 1HD2 ASN 28 -4.667 4.445 -6.426
198 HD22 ASN 28 2HD2 ASN 28 -5.120 5.901 -7.248
199 H GLY 29 H GLY 29 -5.162 5.989 -12.408
200 HA2 GLY 29 1HA GLY 29 -7.679 6.862 -13.398
201 HA3 GLY 29 2HA GLY 29 -6.142 7.050 -14.222
202 H ALA 30 H ALA 30 -5.379 4.419 -14.652
203 HA ALA 30 HA ALA 30 -6.960 3.647 -16.896
204 HB1 ALA 30 1HB ALA 30 -5.573 1.598 -16.897
205 HB2 ALA 30 2HB ALA 30 -4.585 3.064 -16.688
206 HB3 ALA 30 3HB ALA 30 -4.949 2.030 -15.287
207 H LEU 31 H LEU 31 -6.843 2.459 -13.548
208 HA LEU 31 HA LEU 31 -8.701 0.318 -13.921
209 HB2 LEU 31 1HB LEU 31 -7.945 1.963 -11.485
210 HB3 LEU 31 2HB LEU 31 -9.039 0.578 -11.415
211 HG LEU 31 HG LEU 31 -6.155 0.435 -12.360
212 HD11 LEU 31 1HD1 LEU 31 -5.715 -0.591 -10.175
213 HD12 LEU 31 2HD1 LEU 31 -6.286 1.086 -10.010
214 HD13 LEU 31 3HD1 LEU 31 -7.394 -0.268 -9.684
215 HD21 LEU 31 1HD2 LEU 31 -6.517 -1.995 -12.094
216 HD22 LEU 31 2HD2 LEU 31 -8.209 -1.692 -11.631
217 HD23 LEU 31 3HD2 LEU 31 -7.654 -1.304 -13.277
218 H ALA 32 H ALA 32 -9.116 3.734 -13.021
219 HA ALA 32 HA ALA 32 -11.915 3.611 -12.531
220 HB1 ALA 32 1HB ALA 32 -11.879 6.055 -12.913
221 HB2 ALA 32 2HB ALA 32 -10.534 5.530 -11.871
222 HB3 ALA 32 3HB ALA 32 -10.235 5.918 -13.581
223 H TRP 33 H TRP 33 -10.078 4.232 -15.515
224 HA TRP 33 HA TRP 33 -12.335 4.630 -17.209
225 HB2 TRP 33 1HB TRP 33 -10.072 5.192 -17.938
226 HB3 TRP 33 2HB TRP 33 -9.568 3.513 -17.809
227 HD1 TRP 33 HD1 TRP 33 -11.711 5.838 -20.016
228 HE1 TRP 33 HE1 TRP 33 -12.072 4.711 -22.315
229 HE3 TRP 33 HE3 TRP 33 -9.642 1.259 -18.983
230 HZ2 TRP 33 HZ2 TRP 33 -11.535 2.209 -23.508
231 HZ3 TRP 33 HZ3 TRP 33 -9.600 -0.458 -20.748
232 HH2 TRP 33 HH2 TRP 33 -10.527 0.005 -22.978
233 H ALA 34 H ALA 34 -10.557 1.688 -16.274
234 HA ALA 34 HA ALA 34 -11.932 -0.043 -18.084
235 HB1 ALA 34 1HB ALA 34 -11.028 -1.869 -16.681
236 HB2 ALA 34 2HB ALA 34 -9.788 -0.647 -17.052
237 HB3 ALA 34 3HB ALA 34 -10.556 -0.677 -15.448
238 H THR 35 H THR 35 -12.599 0.964 -14.758
239 HA THR 35 HA THR 35 -14.871 -0.925 -14.614
240 HB THR 35 HB THR 35 -15.050 -0.197 -12.253
241 HG1 THR 35 HG1 THR 35 -12.985 1.178 -11.731
242 HG21 THR 35 1HG2 THR 35 -12.876 -1.056 -11.472
243 HG22 THR 35 2HG2 THR 35 -13.489 -2.022 -12.837
244 HG23 THR 35 3HG2 THR 35 -12.196 -0.828 -13.100
245 H GLY 36 H GLY 36 -14.223 2.364 -15.350
246 HA2 GLY 36 1HA GLY 36 -15.733 3.941 -16.209
247 HA3 GLY 36 2HA GLY 36 -17.060 2.848 -15.860
248 H GLY 37 H GLY 37 -14.615 3.840 -13.501
249 HA2 GLY 37 1HA GLY 37 -16.734 5.390 -12.049
250 HA3 GLY 37 2HA GLY 37 -15.670 4.265 -11.224
251 H HIS 38 H HIS 38 -14.397 5.498 -9.965
252 HA HIS 38 HA HIS 38 -12.555 7.381 -11.328
253 HB2 HIS 38 1HB HIS 38 -12.904 9.148 -9.680
254 HB3 HIS 38 2HB HIS 38 -14.395 8.824 -10.553
255 HD2 HIS 38 HD2 HIS 38 -16.531 7.967 -8.986
256 HE1 HIS 38 HE1 HIS 38 -14.409 7.933 -5.290
257 HE2 HIS 38 HE2 HIS 38 -16.695 7.729 -6.399
258 H GLN 39 H GLN 39 -10.999 8.300 -9.503
259 HA GLN 39 HA GLN 39 -9.539 5.863 -8.960
260 HB2 GLN 39 1HB GLN 39 -8.915 8.780 -8.356
261 HB3 GLN 39 2HB GLN 39 -7.793 7.458 -8.068
262 HG2 GLN 39 1HG GLN 39 -7.870 6.906 -10.487
263 HG3 GLN 39 2HG GLN 39 -8.907 8.338 -10.737
264 HE21 GLN 39 1HE2 GLN 39 -5.764 9.777 -11.583
265 HE22 GLN 39 2HE2 GLN 39 -7.131 8.935 -12.233
266 H GLY 40 H GLY 40 -11.706 7.794 -7.142
267 HA2 GLY 40 1HA GLY 40 -10.644 7.335 -4.505
268 HA3 GLY 40 2HA GLY 40 -12.284 7.821 -4.891
269 H ASN 41 H ASN 41 -12.291 5.333 -6.778
270 HA ASN 41 HA ASN 41 -13.123 3.423 -4.662
271 HB2 ASN 41 1HB ASN 41 -13.632 3.494 -7.652
272 HB3 ASN 41 2HB ASN 41 -14.137 2.177 -6.602
273 HD21 ASN 41 1HD2 ASN 41 -16.767 4.891 -7.121
274 HD22 ASN 41 2HD2 ASN 41 -15.645 4.173 -8.228
275 H HIS 42 H HIS 42 -10.328 4.132 -6.047
276 HA HIS 42 HA HIS 42 -9.452 1.276 -6.077
277 HB2 HIS 42 1HB HIS 42 -8.670 3.370 -8.138
278 HB3 HIS 42 2HB HIS 42 -7.980 1.759 -8.006
279 HD1 HIS 42 HD1 HIS 42 -9.913 -0.253 -8.202
280 HD2 HIS 42 HD2 HIS 42 -10.894 3.475 -9.907
281 HE1 HIS 42 HE1 HIS 42 -11.668 -0.702 -9.841
282 H LYS 43 H LYS 43 -8.955 2.113 -3.836
283 HA LYS 43 HA LYS 43 -6.797 3.990 -3.507
284 HB2 LYS 43 1HB LYS 43 -7.853 1.810 -1.663
285 HB3 LYS 43 2HB LYS 43 -6.665 3.017 -1.191
286 HG2 LYS 43 1HG LYS 43 -8.292 4.810 -1.579
287 HG3 LYS 43 2HG LYS 43 -9.488 3.622 -2.117
288 HD2 LYS 43 1HD LYS 43 -9.313 2.511 0.131
289 HD3 LYS 43 2HD LYS 43 -8.245 3.823 0.650
290 HE2 LYS 43 1HE LYS 43 -10.020 5.467 0.237
291 HE3 LYS 43 2HE LYS 43 -11.086 4.196 -0.367
292 HZ1 LYS 43 1HZ LYS 43 -11.560 4.737 1.907
293 HZ2 LYS 43 2HZ LYS 43 -11.015 3.183 1.807
294 HZ3 LYS 43 3HZ LYS 43 -10.020 4.371 2.372
295 H CYS 44 H CYS 44 -4.646 3.759 -3.445
296 HA CYS 44 HA CYS 44 -3.692 1.317 -4.779
297 HB2 CYS 44 1HB CYS 44 -3.048 3.583 -5.604
298 HB3 CYS 44 2HB CYS 44 -2.212 3.886 -4.087
Start of MODEL 3
1 H1 LYS 1 1H LYS 1 0.929 -3.316 -2.798
2 H2 LYS 1 2H LYS 1 0.998 -2.124 -1.685
3 H3 LYS 1 3H LYS 1 0.672 -1.766 -3.243
4 HA LYS 1 HA LYS 1 3.171 -2.841 -2.206
5 HB2 LYS 1 1HB LYS 1 2.679 -3.674 -4.470
6 HB3 LYS 1 2HB LYS 1 2.361 -2.038 -5.029
7 HG2 LYS 1 1HG LYS 1 4.697 -1.417 -4.654
8 HG3 LYS 1 2HG LYS 1 5.037 -3.025 -3.998
9 HD2 LYS 1 1HD LYS 1 4.439 -4.049 -6.161
10 HD3 LYS 1 2HD LYS 1 4.058 -2.452 -6.821
11 HE2 LYS 1 1HE LYS 1 6.396 -1.741 -6.471
12 HE3 LYS 1 2HE LYS 1 6.783 -3.322 -5.788
13 HZ1 LYS 1 1HZ LYS 1 7.401 -3.179 -8.087
14 HZ2 LYS 1 2HZ LYS 1 6.214 -4.309 -7.900
15 HZ3 LYS 1 3HZ LYS 1 5.854 -2.831 -8.539
16 H TYR 2 H TYR 2 1.536 -0.085 -3.800
17 HA TYR 2 HA TYR 2 3.877 1.604 -3.163
18 HB2 TYR 2 1HB TYR 2 1.374 2.119 -4.818
19 HB3 TYR 2 2HB TYR 2 2.640 3.310 -4.553
20 HD1 TYR 2 HD1 TYR 2 1.578 0.453 -6.471
21 HD2 TYR 2 HD2 TYR 2 4.980 2.824 -5.373
22 HE1 TYR 2 HE1 TYR 2 2.827 -0.443 -8.406
23 HE2 TYR 2 HE2 TYR 2 6.230 1.928 -7.309
24 HH TYR 2 HH TYR 2 6.148 0.641 -9.115
25 H TYR 3 H TYR 3 0.494 1.202 -2.280
26 HA TYR 3 HA TYR 3 0.121 3.590 -0.816
27 HB2 TYR 3 1HB TYR 3 -0.991 0.787 -0.485
28 HB3 TYR 3 2HB TYR 3 -1.451 2.091 0.601
29 HD1 TYR 3 HD1 TYR 3 -1.122 4.148 -1.878
30 HD2 TYR 3 HD2 TYR 3 -3.377 0.583 -1.097
31 HE1 TYR 3 HE1 TYR 3 -2.846 4.884 -3.490
32 HE2 TYR 3 HE2 TYR 3 -5.100 1.317 -2.710
33 HH TYR 3 HH TYR 3 -5.561 2.792 -4.364
34 H GLY 4 H GLY 4 1.801 0.609 0.047
35 HA2 GLY 4 1HA GLY 4 1.952 1.264 2.884
36 HA3 GLY 4 2HA GLY 4 2.755 -0.069 2.073
37 H ASN 5 H ASN 5 3.513 2.470 0.177
38 HA ASN 5 HA ASN 5 6.079 2.929 1.598
39 HB2 ASN 5 1HB ASN 5 5.195 3.457 -1.256
40 HB3 ASN 5 2HB ASN 5 6.747 3.974 -0.608
41 HD21 ASN 5 1HD2 ASN 5 6.773 0.546 -2.297
42 HD22 ASN 5 2HD2 ASN 5 5.947 2.008 -2.722
43 H GLY 6 H GLY 6 3.174 4.256 1.779
44 HA2 GLY 6 1HA GLY 6 2.914 6.254 3.126
45 HA3 GLY 6 2HA GLY 6 4.359 6.924 2.391
46 H VAL 7 H VAL 7 1.668 5.311 0.713
47 HA VAL 7 HA VAL 7 1.086 7.913 -0.643
48 HB VAL 7 HB VAL 7 0.942 5.091 -1.787
49 HG11 VAL 7 1HG1 VAL 7 0.385 6.183 -3.903
50 HG12 VAL 7 2HG1 VAL 7 -0.846 6.483 -2.655
51 HG13 VAL 7 3HG1 VAL 7 0.325 7.756 -3.075
52 HG21 VAL 7 1HG2 VAL 7 2.764 5.884 -3.261
53 HG22 VAL 7 2HG2 VAL 7 2.775 7.445 -2.406
54 HG23 VAL 7 3HG2 VAL 7 3.244 5.956 -1.550
55 H THR 8 H THR 8 -0.960 8.607 -0.702
56 HA THR 8 HA THR 8 -3.137 6.713 -0.007
57 HB THR 8 HB THR 8 -2.420 7.770 2.138
58 HG1 THR 8 HG1 THR 8 -4.920 8.860 1.336
59 HG21 THR 8 1HG2 THR 8 -2.818 10.178 2.469
60 HG22 THR 8 2HG2 THR 8 -1.592 9.903 1.209
61 HG23 THR 8 3HG2 THR 8 -3.252 10.347 0.752
62 H CYS 9 H CYS 9 -5.218 7.370 -0.630
63 HA CYS 9 HA CYS 9 -5.177 9.557 -2.668
64 HB2 CYS 9 1HB CYS 9 -6.659 6.901 -2.796
65 HB3 CYS 9 2HB CYS 9 -6.800 8.199 -3.974
66 H GLY 10 H GLY 10 -7.349 10.408 -3.211
67 HA2 GLY 10 1HA GLY 10 -8.953 10.719 -0.722
68 HA3 GLY 10 2HA GLY 10 -8.978 11.797 -2.104
69 H LYS 11 H LYS 11 -11.069 11.765 -2.738
70 HA LYS 11 HA LYS 11 -12.519 9.185 -2.778
71 HB2 LYS 11 1HB LYS 11 -13.588 11.162 -1.719
72 HB3 LYS 11 2HB LYS 11 -13.509 12.027 -3.248
73 HG2 LYS 11 1HG LYS 11 -15.037 10.425 -4.278
74 HG3 LYS 11 2HG LYS 11 -15.062 9.462 -2.795
75 HD2 LYS 11 1HD LYS 11 -16.023 11.384 -1.562
76 HD3 LYS 11 2HD LYS 11 -16.003 12.343 -3.050
77 HE2 LYS 11 1HE LYS 11 -17.523 10.702 -4.120
78 HE3 LYS 11 2HE LYS 11 -17.557 9.764 -2.625
79 HZ1 LYS 11 1HZ LYS 11 -19.450 11.204 -2.806
80 HZ2 LYS 11 2HZ LYS 11 -18.521 11.664 -1.523
81 HZ3 LYS 11 3HZ LYS 11 -18.491 12.540 -2.919
82 H HIS 12 H HIS 12 -11.817 11.917 -4.978
83 HA HIS 12 HA HIS 12 -12.605 10.134 -7.256
84 HB2 HIS 12 1HB HIS 12 -12.627 13.169 -7.066
85 HB3 HIS 12 2HB HIS 12 -13.005 12.243 -8.512
86 HD1 HIS 12 HD1 HIS 12 -15.125 10.501 -8.191
87 HD2 HIS 12 HD2 HIS 12 -14.892 13.649 -5.399
88 HE1 HIS 12 HE1 HIS 12 -17.370 10.741 -7.256
89 H SER 13 H SER 13 -9.960 11.344 -5.677
90 HA SER 13 HA SER 13 -8.220 10.692 -7.916
91 HB2 SER 13 1HB SER 13 -7.142 12.831 -8.151
92 HB3 SER 13 2HB SER 13 -8.865 13.050 -8.421
93 HG SER 13 HG SER 13 -7.242 13.940 -6.407
94 H CYS 14 H CYS 14 -5.933 10.775 -7.335
95 HA CYS 14 HA CYS 14 -5.600 10.163 -4.459
96 HB2 CYS 14 1HB CYS 14 -3.782 9.756 -6.863
97 HB3 CYS 14 2HB CYS 14 -3.317 9.372 -5.212
98 H SER 15 H SER 15 -3.847 11.011 -3.226
99 HA SER 15 HA SER 15 -3.220 13.814 -4.032
100 HB2 SER 15 1HB SER 15 -4.489 13.608 -1.958
101 HB3 SER 15 2HB SER 15 -3.308 12.484 -1.305
102 HG SER 15 HG SER 15 -1.880 14.448 -2.009
103 H VAL 16 H VAL 16 -1.325 13.864 -5.052
104 HA VAL 16 HA VAL 16 0.987 12.604 -3.637
105 HB VAL 16 HB VAL 16 0.560 12.866 -6.644
106 HG11 VAL 16 1HG1 VAL 16 2.695 11.687 -6.860
107 HG12 VAL 16 2HG1 VAL 16 2.881 13.263 -6.053
108 HG13 VAL 16 3HG1 VAL 16 2.912 11.763 -5.095
109 HG21 VAL 16 1HG2 VAL 16 0.595 10.392 -6.589
110 HG22 VAL 16 2HG2 VAL 16 0.745 10.435 -4.816
111 HG23 VAL 16 3HG2 VAL 16 -0.735 11.039 -5.600
112 H ASP 17 H ASP 17 2.562 13.942 -3.080
113 HA ASP 17 HA ASP 17 2.358 16.766 -3.732
114 HB2 ASP 17 1HB ASP 17 4.477 15.170 -2.240
115 HB3 ASP 17 2HB ASP 17 4.502 16.920 -2.406
116 H TRP 18 H TRP 18 3.884 18.060 -4.799
117 HA TRP 18 HA TRP 18 4.860 16.990 -7.250
118 HB2 TRP 18 1HB TRP 18 5.531 19.561 -5.772
119 HB3 TRP 18 2HB TRP 18 6.121 19.192 -7.386
120 HD1 TRP 18 HD1 TRP 18 3.162 20.619 -5.588
121 HE1 TRP 18 HE1 TRP 18 1.273 21.186 -7.261
122 HE3 TRP 18 HE3 TRP 18 5.020 18.210 -9.717
123 HZ2 TRP 18 HZ2 TRP 18 0.678 20.670 -9.973
124 HZ3 TRP 18 HZ3 TRP 18 3.740 18.284 -11.819
125 HH2 TRP 18 HH2 TRP 18 1.604 19.495 -11.953
126 H GLY 19 H GLY 19 6.648 15.954 -7.790
127 HA2 GLY 19 1HA GLY 19 9.064 15.647 -7.639
128 HA3 GLY 19 2HA GLY 19 8.991 16.074 -5.940
129 H LYS 20 H LYS 20 6.364 14.343 -5.967
130 HA LYS 20 HA LYS 20 7.777 11.798 -5.386
131 HB2 LYS 20 1HB LYS 20 4.952 12.735 -4.742
132 HB3 LYS 20 2HB LYS 20 5.591 11.150 -4.328
133 HG2 LYS 20 1HG LYS 20 7.326 12.228 -2.922
134 HG3 LYS 20 2HG LYS 20 6.639 13.810 -3.315
135 HD2 LYS 20 1HD LYS 20 4.468 13.094 -2.333
136 HD3 LYS 20 2HD LYS 20 5.192 11.537 -1.904
137 HE2 LYS 20 1HE LYS 20 6.799 12.638 -0.434
138 HE3 LYS 20 2HE LYS 20 6.220 14.228 -0.934
139 HZ1 LYS 20 1HZ LYS 20 5.284 13.567 1.157
140 HZ2 LYS 20 2HZ LYS 20 4.089 13.692 0.027
141 HZ3 LYS 20 3HZ LYS 20 4.630 12.205 0.496
142 H ALA 21 H ALA 21 6.783 9.760 -6.014
143 HA ALA 21 HA ALA 21 6.340 9.744 -8.853
144 HB1 ALA 21 1HB ALA 21 6.022 7.309 -8.558
145 HB2 ALA 21 2HB ALA 21 7.467 7.894 -7.699
146 HB3 ALA 21 3HB ALA 21 5.977 7.535 -6.795
147 H THR 22 H THR 22 4.554 9.386 -10.072
148 HA THR 22 HA THR 22 1.960 9.637 -8.613
149 HB THR 22 HB THR 22 1.060 10.592 -10.735
150 HG1 THR 22 HG1 THR 22 3.615 11.019 -11.752
151 HG21 THR 22 1HG2 THR 22 2.237 12.753 -10.601
152 HG22 THR 22 2HG2 THR 22 1.937 12.090 -8.977
153 HG23 THR 22 3HG2 THR 22 3.561 11.981 -9.698
154 H THR 23 H THR 23 3.275 7.124 -8.954
155 HA THR 23 HA THR 23 2.417 5.770 -11.323
156 HB THR 23 HB THR 23 3.169 4.645 -8.591
157 HG1 THR 23 HG1 THR 23 5.056 4.173 -10.277
158 HG21 THR 23 1HG2 THR 23 3.567 2.543 -9.813
159 HG22 THR 23 2HG2 THR 23 1.861 3.036 -9.935
160 HG23 THR 23 3HG2 THR 23 2.962 3.293 -11.309
161 H CYS 24 H CYS 24 1.022 5.991 -8.054
162 HA CYS 24 HA CYS 24 -1.104 4.132 -8.565
163 HB2 CYS 24 1HB CYS 24 -0.762 6.334 -6.500
164 HB3 CYS 24 2HB CYS 24 -2.159 5.267 -6.536
165 H ILE 25 H ILE 25 -0.777 7.639 -8.929
166 HA ILE 25 HA ILE 25 -3.474 8.233 -9.581
167 HB ILE 25 HB ILE 25 -0.849 9.490 -10.454
168 HG12 ILE 25 1HG1 ILE 25 -2.999 10.510 -8.588
169 HG13 ILE 25 2HG1 ILE 25 -1.585 9.615 -8.053
170 HG21 ILE 25 1HG2 ILE 25 -2.186 11.371 -11.312
171 HG22 ILE 25 2HG2 ILE 25 -2.533 9.876 -12.212
172 HG23 ILE 25 3HG2 ILE 25 -3.681 10.463 -10.985
173 HD11 ILE 25 1HD1 ILE 25 -1.257 12.009 -7.790
174 HD12 ILE 25 2HD1 ILE 25 -0.116 11.348 -8.987
175 HD13 ILE 25 3HD1 ILE 25 -1.548 12.257 -9.528
176 H ILE 26 H ILE 26 -0.754 7.213 -11.654
177 HA ILE 26 HA ILE 26 -2.250 7.224 -14.093
178 HB ILE 26 HB ILE 26 0.256 5.716 -13.253
179 HG12 ILE 26 1HG1 ILE 26 -0.061 8.056 -15.138
180 HG13 ILE 26 2HG1 ILE 26 0.283 8.236 -13.425
181 HG21 ILE 26 1HG2 ILE 26 0.570 5.221 -15.644
182 HG22 ILE 26 2HG2 ILE 26 -0.912 4.458 -15.023
183 HG23 ILE 26 3HG2 ILE 26 -1.017 5.938 -16.006
184 HD11 ILE 26 1HD1 ILE 26 2.319 8.372 -14.747
185 HD12 ILE 26 2HD1 ILE 26 2.353 6.940 -13.691
186 HD13 ILE 26 3HD1 ILE 26 2.005 6.759 -15.427
187 H ASN 27 H ASN 27 -1.523 4.637 -11.743
188 HA ASN 27 HA ASN 27 -2.755 2.580 -13.342
189 HB2 ASN 27 1HB ASN 27 -1.911 2.730 -10.438
190 HB3 ASN 27 2HB ASN 27 -2.673 1.299 -11.120
191 HD21 ASN 27 1HD2 ASN 27 0.997 0.895 -11.295
192 HD22 ASN 27 2HD2 ASN 27 -0.168 1.162 -10.042
193 H ASN 28 H ASN 28 -3.851 4.401 -10.475
194 HA ASN 28 HA ASN 28 -6.375 3.020 -10.328
195 HB2 ASN 28 1HB ASN 28 -5.409 5.653 -9.173
196 HB3 ASN 28 2HB ASN 28 -7.007 4.990 -8.855
197 HD21 ASN 28 1HD2 ASN 28 -4.867 3.954 -6.074
198 HD22 ASN 28 2HD2 ASN 28 -5.494 5.429 -6.732
199 H GLY 29 H GLY 29 -5.286 5.948 -11.968
200 HA2 GLY 29 1HA GLY 29 -7.836 6.896 -12.829
201 HA3 GLY 29 2HA GLY 29 -6.306 7.201 -13.631
202 H ALA 30 H ALA 30 -5.484 4.668 -14.362
203 HA ALA 30 HA ALA 30 -7.059 4.148 -16.684
204 HB1 ALA 30 1HB ALA 30 -5.600 2.171 -16.967
205 HB2 ALA 30 2HB ALA 30 -4.663 3.631 -16.571
206 HB3 ALA 30 3HB ALA 30 -4.974 2.407 -15.319
207 H LEU 31 H LEU 31 -6.850 2.515 -13.532
208 HA LEU 31 HA LEU 31 -8.639 0.380 -14.210
209 HB2 LEU 31 1HB LEU 31 -7.849 1.620 -11.555
210 HB3 LEU 31 2HB LEU 31 -8.889 0.199 -11.690
211 HG LEU 31 HG LEU 31 -6.040 0.335 -12.735
212 HD11 LEU 31 1HD1 LEU 31 -5.479 -1.022 -10.767
213 HD12 LEU 31 2HD1 LEU 31 -6.102 0.580 -10.306
214 HD13 LEU 31 3HD1 LEU 31 -7.149 -0.853 -10.175
215 HD21 LEU 31 1HD2 LEU 31 -6.307 -2.118 -12.868
216 HD22 LEU 31 2HD2 LEU 31 -7.989 -1.966 -12.306
217 HD23 LEU 31 3HD2 LEU 31 -7.512 -1.287 -13.880
218 H ALA 32 H ALA 32 -9.119 3.606 -12.809
219 HA ALA 32 HA ALA 32 -11.897 3.344 -12.260
220 HB1 ALA 32 1HB ALA 32 -11.936 5.815 -12.350
221 HB2 ALA 32 2HB ALA 32 -10.547 5.212 -11.416
222 HB3 ALA 32 3HB ALA 32 -10.313 5.807 -13.075
223 H TRP 33 H TRP 33 -10.183 4.432 -15.190
224 HA TRP 33 HA TRP 33 -12.525 4.963 -16.731
225 HB2 TRP 33 1HB TRP 33 -10.323 5.764 -17.429
226 HB3 TRP 33 2HB TRP 33 -9.729 4.117 -17.583
227 HD1 TRP 33 HD1 TRP 33 -12.090 6.623 -19.320
228 HE1 TRP 33 HE1 TRP 33 -12.475 5.857 -21.760
229 HE3 TRP 33 HE3 TRP 33 -9.708 2.087 -19.105
230 HZ2 TRP 33 HZ2 TRP 33 -11.837 3.618 -23.358
231 HZ3 TRP 33 HZ3 TRP 33 -9.632 0.680 -21.125
232 HH2 TRP 33 HH2 TRP 33 -10.675 1.429 -23.223
233 H ALA 34 H ALA 34 -10.556 2.020 -16.330
234 HA ALA 34 HA ALA 34 -11.907 0.556 -18.390
235 HB1 ALA 34 1HB ALA 34 -10.783 -1.420 -17.413
236 HB2 ALA 34 2HB ALA 34 -9.661 -0.052 -17.609
237 HB3 ALA 34 3HB ALA 34 -10.314 -0.444 -16.001
238 H THR 35 H THR 35 -12.396 0.825 -14.889
239 HA THR 35 HA THR 35 -14.517 -1.242 -15.037
240 HB THR 35 HB THR 35 -14.470 -1.191 -12.571
241 HG1 THR 35 HG1 THR 35 -12.385 0.741 -12.837
242 HG21 THR 35 1HG2 THR 35 -12.170 -2.010 -12.240
243 HG22 THR 35 2HG2 THR 35 -12.855 -2.634 -13.760
244 HG23 THR 35 3HG2 THR 35 -11.686 -1.294 -13.795
245 H GLY 36 H GLY 36 -14.123 2.156 -14.984
246 HA2 GLY 36 1HA GLY 36 -15.822 3.777 -15.190
247 HA3 GLY 36 2HA GLY 36 -17.030 2.554 -14.837
248 H GLY 37 H GLY 37 -14.185 2.992 -12.816
249 HA2 GLY 37 1HA GLY 37 -15.979 3.753 -10.561
250 HA3 GLY 37 2HA GLY 37 -14.389 3.030 -10.409
251 H HIS 38 H HIS 38 -13.625 4.630 -9.010
252 HA HIS 38 HA HIS 38 -13.001 7.230 -10.354
253 HB2 HIS 38 1HB HIS 38 -13.956 6.863 -7.491
254 HB3 HIS 38 2HB HIS 38 -13.298 8.357 -8.144
255 HD2 HIS 38 HD2 HIS 38 -16.595 6.261 -8.286
256 HE1 HIS 38 HE1 HIS 38 -17.221 9.922 -10.375
257 HE2 HIS 38 HE2 HIS 38 -18.325 7.817 -9.452
258 H GLN 39 H GLN 39 -11.038 8.123 -9.927
259 HA GLN 39 HA GLN 39 -8.931 6.332 -9.252
260 HB2 GLN 39 1HB GLN 39 -8.652 8.343 -10.692
261 HB3 GLN 39 2HB GLN 39 -8.910 9.377 -9.294
262 HG2 GLN 39 1HG GLN 39 -6.896 8.435 -8.230
263 HG3 GLN 39 2HG GLN 39 -6.626 7.432 -9.682
264 HE21 GLN 39 1HE2 GLN 39 -5.653 10.179 -11.763
265 HE22 GLN 39 2HE2 GLN 39 -6.518 8.678 -11.787
266 H GLY 40 H GLY 40 -8.058 5.709 -7.414
267 HA2 GLY 40 1HA GLY 40 -7.177 6.252 -5.202
268 HA3 GLY 40 2HA GLY 40 -8.495 7.387 -4.981
269 H ASN 41 H ASN 41 -10.070 5.009 -6.456
270 HA ASN 41 HA ASN 41 -10.627 3.537 -3.919
271 HB2 ASN 41 1HB ASN 41 -12.332 3.979 -6.390
272 HB3 ASN 41 2HB ASN 41 -12.772 2.896 -5.077
273 HD21 ASN 41 1HD2 ASN 41 -13.238 6.906 -4.742
274 HD22 ASN 41 2HD2 ASN 41 -12.502 6.175 -6.128
275 H HIS 42 H HIS 42 -8.366 2.980 -5.653
276 HA HIS 42 HA HIS 42 -9.062 0.152 -6.326
277 HB2 HIS 42 1HB HIS 42 -7.358 1.972 -8.065
278 HB3 HIS 42 2HB HIS 42 -7.692 0.271 -8.352
279 HD1 HIS 42 HD1 HIS 42 -10.343 -0.309 -8.750
280 HD2 HIS 42 HD2 HIS 42 -9.281 3.741 -9.230
281 HE1 HIS 42 HE1 HIS 42 -12.118 0.699 -10.095
282 H LYS 43 H LYS 43 -7.346 -1.329 -6.241
283 HA LYS 43 HA LYS 43 -5.531 -0.769 -4.066
284 HB2 LYS 43 1HB LYS 43 -6.519 -3.018 -4.499
285 HB3 LYS 43 2HB LYS 43 -5.589 -3.131 -5.988
286 HG2 LYS 43 1HG LYS 43 -3.496 -3.094 -4.726
287 HG3 LYS 43 2HG LYS 43 -4.389 -2.881 -3.214
288 HD2 LYS 43 1HD LYS 43 -5.518 -5.056 -3.574
289 HD3 LYS 43 2HD LYS 43 -4.617 -5.270 -5.082
290 HE2 LYS 43 1HE LYS 43 -2.489 -5.213 -3.820
291 HE3 LYS 43 2HE LYS 43 -3.386 -5.000 -2.314
292 HZ1 LYS 43 1HZ LYS 43 -2.777 -7.280 -2.664
293 HZ2 LYS 43 2HZ LYS 43 -4.419 -7.132 -2.697
294 HZ3 LYS 43 3HZ LYS 43 -3.580 -7.331 -4.102
295 H CYS 44 H CYS 44 -3.464 -0.192 -4.028
296 HA CYS 44 HA CYS 44 -1.834 -0.414 -6.473
297 HB2 CYS 44 1HB CYS 44 -2.925 1.805 -6.691
298 HB3 CYS 44 2HB CYS 44 -2.318 2.263 -5.108
Start of MODEL 4
1 H1 LYS 1 1H LYS 1 0.281 -1.860 -0.710
2 H2 LYS 1 2H LYS 1 1.453 -1.049 0.086
3 H3 LYS 1 3H LYS 1 0.890 -0.481 -1.336
4 HA LYS 1 HA LYS 1 2.367 -2.957 -0.930
5 HB2 LYS 1 1HB LYS 1 0.687 -3.126 -2.741
6 HB3 LYS 1 2HB LYS 1 1.326 -1.666 -3.484
7 HG2 LYS 1 1HG LYS 1 3.436 -2.767 -3.965
8 HG3 LYS 1 2HG LYS 1 2.923 -4.212 -3.083
9 HD2 LYS 1 1HD LYS 1 1.066 -4.534 -4.691
10 HD3 LYS 1 2HD LYS 1 1.584 -3.090 -5.573
11 HE2 LYS 1 1HE LYS 1 3.766 -4.152 -6.040
12 HE3 LYS 1 2HE LYS 1 3.261 -5.592 -5.151
13 HZ1 LYS 1 1HZ LYS 1 2.965 -5.858 -7.503
14 HZ2 LYS 1 2HZ LYS 1 1.497 -5.889 -6.751
15 HZ3 LYS 1 3HZ LYS 1 1.971 -4.545 -7.582
16 H TYR 2 H TYR 2 2.315 0.348 -2.262
17 HA TYR 2 HA TYR 2 5.294 0.225 -2.416
18 HB2 TYR 2 1HB TYR 2 3.330 2.077 -3.828
19 HB3 TYR 2 2HB TYR 2 5.079 2.164 -3.974
20 HD1 TYR 2 HD1 TYR 2 2.074 0.667 -5.205
21 HD2 TYR 2 HD2 TYR 2 6.318 0.116 -4.892
22 HE1 TYR 2 HE1 TYR 2 2.001 -0.960 -7.065
23 HE2 TYR 2 HE2 TYR 2 6.244 -1.509 -6.752
24 HH TYR 2 HH TYR 2 4.978 -2.442 -8.331
25 H TYR 3 H TYR 3 3.365 0.863 -0.096
26 HA TYR 3 HA TYR 3 3.652 3.638 0.515
27 HB2 TYR 3 1HB TYR 3 2.013 2.152 1.633
28 HB3 TYR 3 2HB TYR 3 3.325 1.263 2.393
29 HD1 TYR 3 HD1 TYR 3 1.710 4.607 2.195
30 HD2 TYR 3 HD2 TYR 3 4.297 1.995 4.404
31 HE1 TYR 3 HE1 TYR 3 1.671 6.181 4.100
32 HE2 TYR 3 HE2 TYR 3 4.260 3.568 6.310
33 HH TYR 3 HH TYR 3 3.486 5.490 7.093
34 H GLY 4 H GLY 4 5.318 4.809 1.081
35 HA2 GLY 4 1HA GLY 4 7.160 5.275 2.556
36 HA3 GLY 4 2HA GLY 4 7.483 3.556 2.690
37 H ASN 5 H ASN 5 6.848 3.952 -0.493
38 HA ASN 5 HA ASN 5 9.742 4.133 -1.133
39 HB2 ASN 5 1HB ASN 5 7.354 3.140 -2.719
40 HB3 ASN 5 2HB ASN 5 8.975 3.281 -3.386
41 HD21 ASN 5 1HD2 ASN 5 8.181 -0.148 -1.942
42 HD22 ASN 5 2HD2 ASN 5 7.231 0.937 -2.900
43 H GLY 6 H GLY 6 7.244 6.219 -0.858
44 HA2 GLY 6 1HA GLY 6 7.596 8.550 -1.392
45 HA3 GLY 6 2HA GLY 6 8.538 8.078 -2.796
46 H VAL 7 H VAL 7 6.371 5.928 -3.301
47 HA VAL 7 HA VAL 7 4.292 7.764 -4.413
48 HB VAL 7 HB VAL 7 5.446 5.295 -5.779
49 HG11 VAL 7 1HG1 VAL 7 4.121 6.022 -7.704
50 HG12 VAL 7 2HG1 VAL 7 3.101 5.649 -6.294
51 HG13 VAL 7 3HG1 VAL 7 3.434 7.343 -6.730
52 HG21 VAL 7 1HG2 VAL 7 6.413 6.916 -7.381
53 HG22 VAL 7 2HG2 VAL 7 5.797 8.260 -6.390
54 HG23 VAL 7 3HG2 VAL 7 7.049 7.175 -5.739
55 H THR 8 H THR 8 2.579 7.381 -3.153
56 HA THR 8 HA THR 8 1.471 4.657 -3.116
57 HB THR 8 HB THR 8 2.962 4.680 -1.118
58 HG1 THR 8 HG1 THR 8 0.731 3.692 -1.220
59 HG21 THR 8 1HG2 THR 8 2.397 6.152 0.776
60 HG22 THR 8 2HG2 THR 8 2.873 7.105 -0.650
61 HG23 THR 8 3HG2 THR 8 1.155 6.954 -0.213
62 H CYS 9 H CYS 9 -0.725 4.558 -2.611
63 HA CYS 9 HA CYS 9 -2.050 7.215 -2.261
64 HB2 CYS 9 1HB CYS 9 -2.977 4.822 -3.893
65 HB3 CYS 9 2HB CYS 9 -3.997 6.201 -3.511
66 H GLY 10 H GLY 10 -3.818 7.333 -0.897
67 HA2 GLY 10 1HA GLY 10 -4.241 4.980 0.884
68 HA3 GLY 10 2HA GLY 10 -4.699 6.635 1.243
69 H LYS 11 H LYS 11 -6.802 5.736 1.789
70 HA LYS 11 HA LYS 11 -8.440 4.917 -0.552
71 HB2 LYS 11 1HB LYS 11 -9.031 4.885 2.434
72 HB3 LYS 11 2HB LYS 11 -10.179 4.406 1.192
73 HG2 LYS 11 1HG LYS 11 -8.639 2.603 0.475
74 HG3 LYS 11 2HG LYS 11 -7.516 3.073 1.757
75 HD2 LYS 11 1HD LYS 11 -9.254 2.614 3.456
76 HD3 LYS 11 2HD LYS 11 -10.383 2.152 2.175
77 HE2 LYS 11 1HE LYS 11 -8.880 0.316 1.499
78 HE3 LYS 11 2HE LYS 11 -7.732 0.782 2.756
79 HZ1 LYS 11 1HZ LYS 11 -9.123 -1.022 3.459
80 HZ2 LYS 11 2HZ LYS 11 -9.419 0.304 4.394
81 HZ3 LYS 11 3HZ LYS 11 -10.491 -0.134 3.219
82 H HIS 12 H HIS 12 -7.425 7.727 0.474
83 HA HIS 12 HA HIS 12 -10.055 9.061 -0.027
84 HB2 HIS 12 1HB HIS 12 -8.007 9.877 2.068
85 HB3 HIS 12 2HB HIS 12 -9.419 10.819 1.610
86 HD1 HIS 12 HD1 HIS 12 -11.805 9.407 1.944
87 HD2 HIS 12 HD2 HIS 12 -8.516 8.100 4.230
88 HE1 HIS 12 HE1 HIS 12 -12.745 8.164 3.827
89 H SER 13 H SER 13 -6.509 9.319 -0.002
90 HA SER 13 HA SER 13 -6.627 10.743 -2.555
91 HB2 SER 13 1HB SER 13 -5.465 12.727 -1.840
92 HB3 SER 13 2HB SER 13 -6.920 12.559 -0.869
93 HG SER 13 HG SER 13 -4.261 12.273 -0.194
94 H CYS 14 H CYS 14 -4.450 11.161 -3.442
95 HA CYS 14 HA CYS 14 -2.635 8.958 -2.624
96 HB2 CYS 14 1HB CYS 14 -2.807 10.641 -5.149
97 HB3 CYS 14 2HB CYS 14 -1.507 9.498 -4.839
98 H SER 15 H SER 15 -0.356 9.290 -2.489
99 HA SER 15 HA SER 15 0.471 12.118 -2.055
100 HB2 SER 15 1HB SER 15 -0.044 11.185 0.149
101 HB3 SER 15 2HB SER 15 0.980 9.793 -0.170
102 HG SER 15 HG SER 15 2.624 11.520 -0.600
103 H VAL 16 H VAL 16 1.873 12.403 -3.659
104 HA VAL 16 HA VAL 16 4.017 10.343 -3.976
105 HB VAL 16 HB VAL 16 2.905 12.287 -6.045
106 HG11 VAL 16 1HG1 VAL 16 4.376 11.139 -7.628
107 HG12 VAL 16 2HG1 VAL 16 5.291 11.953 -6.337
108 HG13 VAL 16 3HG1 VAL 16 5.069 10.187 -6.292
109 HG21 VAL 16 1HG2 VAL 16 2.116 10.227 -7.166
110 HG22 VAL 16 2HG2 VAL 16 2.736 9.253 -5.812
111 HG23 VAL 16 3HG2 VAL 16 1.396 10.394 -5.547
112 H ASP 17 H ASP 17 5.987 10.940 -3.418
113 HA ASP 17 HA ASP 17 6.562 13.606 -2.514
114 HB2 ASP 17 1HB ASP 17 8.326 11.200 -3.088
115 HB3 ASP 17 2HB ASP 17 8.967 12.721 -2.483
116 H TRP 18 H TRP 18 7.928 15.178 -3.351
117 HA TRP 18 HA TRP 18 7.691 15.620 -6.159
118 HB2 TRP 18 1HB TRP 18 9.474 16.908 -4.059
119 HB3 TRP 18 2HB TRP 18 9.372 17.476 -5.719
120 HD1 TRP 18 HD1 TRP 18 7.672 17.772 -2.394
121 HE1 TRP 18 HE1 TRP 18 5.556 19.247 -2.589
122 HE3 TRP 18 HE3 TRP 18 7.340 18.004 -7.507
123 HZ2 TRP 18 HZ2 TRP 18 3.979 20.353 -4.653
124 HZ3 TRP 18 HZ3 TRP 18 5.503 19.286 -8.528
125 HH2 TRP 18 HH2 TRP 18 3.847 20.447 -7.129
126 H GLY 19 H GLY 19 8.846 14.978 -7.835
127 HA2 GLY 19 1HA GLY 19 10.937 14.515 -8.951
128 HA3 GLY 19 2HA GLY 19 11.653 14.074 -7.412
129 H LYS 20 H LYS 20 8.764 12.686 -7.115
130 HA LYS 20 HA LYS 20 9.723 10.111 -8.252
131 HB2 LYS 20 1HB LYS 20 7.530 10.634 -6.207
132 HB3 LYS 20 2HB LYS 20 8.115 9.056 -6.712
133 HG2 LYS 20 1HG LYS 20 9.777 11.156 -5.285
134 HG3 LYS 20 2HG LYS 20 9.014 9.751 -4.526
135 HD2 LYS 20 1HD LYS 20 10.338 8.266 -6.054
136 HD3 LYS 20 2HD LYS 20 11.163 9.702 -6.676
137 HE2 LYS 20 1HE LYS 20 11.949 10.219 -4.369
138 HE3 LYS 20 2HE LYS 20 11.175 8.742 -3.791
139 HZ1 LYS 20 1HZ LYS 20 13.499 8.411 -4.216
140 HZ2 LYS 20 2HZ LYS 20 12.607 7.488 -5.252
141 HZ3 LYS 20 3HZ LYS 20 13.331 8.869 -5.791
142 H ALA 21 H ALA 21 8.158 8.638 -9.192
143 HA ALA 21 HA ALA 21 6.539 10.051 -11.155
144 HB1 ALA 21 1HB ALA 21 6.077 7.788 -12.042
145 HB2 ALA 21 2HB ALA 21 7.819 8.055 -11.789
146 HB3 ALA 21 3HB ALA 21 6.890 7.077 -10.629
147 H THR 22 H THR 22 4.311 9.740 -11.563
148 HA THR 22 HA THR 22 2.764 9.306 -9.066
149 HB THR 22 HB THR 22 0.875 10.344 -10.340
150 HG1 THR 22 HG1 THR 22 1.162 10.971 -12.404
151 HG21 THR 22 1HG2 THR 22 1.817 12.619 -10.412
152 HG22 THR 22 2HG2 THR 22 2.379 11.744 -8.968
153 HG23 THR 22 3HG2 THR 22 3.462 11.944 -10.365
154 H THR 23 H THR 23 3.721 6.952 -9.938
155 HA THR 23 HA THR 23 2.320 5.737 -12.100
156 HB THR 23 HB THR 23 3.723 4.453 -9.718
157 HG1 THR 23 HG1 THR 23 5.143 4.135 -11.840
158 HG21 THR 23 1HG2 THR 23 3.827 2.442 -11.138
159 HG22 THR 23 2HG2 THR 23 2.139 2.898 -10.804
160 HG23 THR 23 3HG2 THR 23 2.866 3.268 -12.385
161 H CYS 24 H CYS 24 1.763 5.625 -8.580
162 HA CYS 24 HA CYS 24 -0.391 3.762 -8.678
163 HB2 CYS 24 1HB CYS 24 0.367 5.912 -6.673
164 HB3 CYS 24 2HB CYS 24 -1.014 4.851 -6.434
165 H ILE 25 H ILE 25 -0.305 7.317 -8.825
166 HA ILE 25 HA ILE 25 -3.128 7.719 -8.851
167 HB ILE 25 HB ILE 25 -0.834 9.360 -9.991
168 HG12 ILE 25 1HG1 ILE 25 -2.582 9.866 -7.577
169 HG13 ILE 25 2HG1 ILE 25 -1.042 9.026 -7.500
170 HG21 ILE 25 1HG2 ILE 25 -2.459 11.198 -10.214
171 HG22 ILE 25 2HG2 ILE 25 -2.891 9.831 -11.267
172 HG23 ILE 25 3HG2 ILE 25 -3.775 10.096 -9.745
173 HD11 ILE 25 1HD1 ILE 25 -0.793 11.369 -6.904
174 HD12 ILE 25 2HD1 ILE 25 0.099 11.006 -8.402
175 HD13 ILE 25 3HD1 ILE 25 -1.462 11.858 -8.479
176 H ILE 26 H ILE 26 -0.778 7.256 -11.494
177 HA ILE 26 HA ILE 26 -2.645 7.487 -13.630
178 HB ILE 26 HB ILE 26 -0.014 5.979 -13.394
179 HG12 ILE 26 1HG1 ILE 26 -0.677 8.507 -14.912
180 HG13 ILE 26 2HG1 ILE 26 -0.066 8.503 -13.264
181 HG21 ILE 26 1HG2 ILE 26 -0.081 5.776 -15.847
182 HG22 ILE 26 2HG2 ILE 26 -1.427 4.890 -15.095
183 HG23 ILE 26 3HG2 ILE 26 -1.721 6.468 -15.863
184 HD11 ILE 26 1HD1 ILE 26 1.728 8.868 -14.864
185 HD12 ILE 26 2HD1 ILE 26 1.960 7.326 -14.005
186 HD13 ILE 26 3HD1 ILE 26 1.342 7.333 -15.675
187 H ASN 27 H ASN 27 -1.565 4.671 -11.735
188 HA ASN 27 HA ASN 27 -3.003 2.719 -13.238
189 HB2 ASN 27 1HB ASN 27 -2.013 2.790 -10.378
190 HB3 ASN 27 2HB ASN 27 -2.852 1.396 -11.045
191 HD21 ASN 27 1HD2 ASN 27 0.809 0.924 -11.405
192 HD22 ASN 27 2HD2 ASN 27 -0.273 1.228 -10.087
193 H ASN 28 H ASN 28 -3.925 4.664 -10.411
194 HA ASN 28 HA ASN 28 -6.491 3.452 -10.050
195 HB2 ASN 28 1HB ASN 28 -5.353 6.156 -9.311
196 HB3 ASN 28 2HB ASN 28 -7.018 5.718 -8.947
197 HD21 ASN 28 1HD2 ASN 28 -5.039 4.926 -5.971
198 HD22 ASN 28 2HD2 ASN 28 -5.485 6.334 -6.876
199 H GLY 29 H GLY 29 -5.410 6.198 -12.025
200 HA2 GLY 29 1HA GLY 29 -7.967 6.928 -13.063
201 HA3 GLY 29 2HA GLY 29 -6.425 7.215 -13.847
202 H ALA 30 H ALA 30 -5.494 4.607 -14.203
203 HA ALA 30 HA ALA 30 -6.832 3.827 -16.579
204 HB1 ALA 30 1HB ALA 30 -5.421 1.799 -16.468
205 HB2 ALA 30 2HB ALA 30 -4.484 3.273 -16.129
206 HB3 ALA 30 3HB ALA 30 -4.980 2.207 -14.794
207 H LEU 31 H LEU 31 -7.082 2.612 -13.254
208 HA LEU 31 HA LEU 31 -8.836 0.436 -13.830
209 HB2 LEU 31 1HB LEU 31 -8.452 2.134 -11.344
210 HB3 LEU 31 2HB LEU 31 -9.511 0.722 -11.398
211 HG LEU 31 HG LEU 31 -6.524 0.641 -11.950
212 HD11 LEU 31 1HD1 LEU 31 -6.351 -0.338 -9.706
213 HD12 LEU 31 2HD1 LEU 31 -6.978 1.326 -9.651
214 HD13 LEU 31 3HD1 LEU 31 -8.087 -0.050 -9.446
215 HD21 LEU 31 1HD2 LEU 31 -6.861 -1.794 -11.686
216 HD22 LEU 31 2HD2 LEU 31 -8.606 -1.527 -11.455
217 HD23 LEU 31 3HD2 LEU 31 -7.849 -1.151 -13.021
218 H ALA 32 H ALA 32 -9.437 3.859 -13.085
219 HA ALA 32 HA ALA 32 -12.279 3.670 -12.973
220 HB1 ALA 32 1HB ALA 32 -12.244 6.110 -13.377
221 HB2 ALA 32 2HB ALA 32 -11.050 5.628 -12.149
222 HB3 ALA 32 3HB ALA 32 -10.520 6.006 -13.804
223 H TRP 33 H TRP 33 -10.023 4.058 -15.664
224 HA TRP 33 HA TRP 33 -12.176 4.423 -17.607
225 HB2 TRP 33 1HB TRP 33 -9.182 3.983 -17.857
226 HB3 TRP 33 2HB TRP 33 -10.239 4.074 -19.257
227 HD1 TRP 33 HD1 TRP 33 -8.117 6.221 -17.201
228 HE1 TRP 33 HE1 TRP 33 -8.667 8.725 -17.537
229 HE3 TRP 33 HE3 TRP 33 -12.634 5.724 -19.578
230 HZ2 TRP 33 HZ2 TRP 33 -10.748 10.260 -18.669
231 HZ3 TRP 33 HZ3 TRP 33 -13.855 7.751 -20.260
232 HH2 TRP 33 HH2 TRP 33 -12.931 9.987 -19.819
233 H ALA 34 H ALA 34 -10.355 1.777 -16.238
234 HA ALA 34 HA ALA 34 -10.919 -0.078 -18.394
235 HB1 ALA 34 1HB ALA 34 -10.013 -1.779 -16.844
236 HB2 ALA 34 2HB ALA 34 -8.949 -0.358 -16.957
237 HB3 ALA 34 3HB ALA 34 -10.001 -0.573 -15.538
238 H THR 35 H THR 35 -12.058 0.059 -14.995
239 HA THR 35 HA THR 35 -14.511 -1.377 -15.919
240 HB THR 35 HB THR 35 -14.552 -2.573 -13.759
241 HG1 THR 35 HG1 THR 35 -13.298 -0.881 -12.646
242 HG21 THR 35 1HG2 THR 35 -12.612 -4.045 -14.134
243 HG22 THR 35 2HG2 THR 35 -13.392 -3.615 -15.675
244 HG23 THR 35 3HG2 THR 35 -11.879 -2.816 -15.191
245 H GLY 36 H GLY 36 -13.123 1.237 -14.156
246 HA2 GLY 36 1HA GLY 36 -14.575 3.161 -13.657
247 HA3 GLY 36 2HA GLY 36 -15.855 2.041 -13.231
248 H GLY 37 H GLY 37 -14.732 4.189 -11.621
249 HA2 GLY 37 1HA GLY 37 -14.652 3.084 -9.074
250 HA3 GLY 37 2HA GLY 37 -12.981 3.031 -9.603
251 H HIS 38 H HIS 38 -12.373 4.544 -8.000
252 HA HIS 38 HA HIS 38 -13.097 7.364 -8.678
253 HB2 HIS 38 1HB HIS 38 -12.942 6.208 -5.869
254 HB3 HIS 38 2HB HIS 38 -13.144 7.908 -6.265
255 HD2 HIS 38 HD2 HIS 38 -15.286 4.782 -5.719
256 HE1 HIS 38 HE1 HIS 38 -17.827 7.752 -7.421
257 HE2 HIS 38 HE2 HIS 38 -17.733 5.475 -6.277
258 H GLN 39 H GLN 39 -11.196 7.800 -9.688
259 HA GLN 39 HA GLN 39 -8.651 6.878 -8.930
260 HB2 GLN 39 1HB GLN 39 -9.166 7.989 -11.095
261 HB3 GLN 39 2HB GLN 39 -9.353 9.526 -10.261
262 HG2 GLN 39 1HG GLN 39 -7.006 9.468 -9.578
263 HG3 GLN 39 2HG GLN 39 -6.809 7.893 -10.398
264 HE21 GLN 39 1HE2 GLN 39 -5.514 9.923 -12.991
265 HE22 GLN 39 2HE2 GLN 39 -5.104 8.954 -11.616
266 H GLY 40 H GLY 40 -7.421 7.195 -7.236
267 HA2 GLY 40 1HA GLY 40 -6.173 8.732 -5.818
268 HA3 GLY 40 2HA GLY 40 -7.532 9.840 -5.853
269 H ASN 41 H ASN 41 -9.211 7.173 -5.580
270 HA ASN 41 HA ASN 41 -9.046 7.163 -2.596
271 HB2 ASN 41 1HB ASN 41 -11.408 6.723 -4.450
272 HB3 ASN 41 2HB ASN 41 -11.456 6.437 -2.715
273 HD21 ASN 41 1HD2 ASN 41 -11.734 10.176 -4.237
274 HD22 ASN 41 2HD2 ASN 41 -11.495 8.781 -5.236
275 H HIS 42 H HIS 42 -7.547 5.492 -4.568
276 HA HIS 42 HA HIS 42 -8.427 2.845 -3.470
277 HB2 HIS 42 1HB HIS 42 -7.159 3.382 -6.181
278 HB3 HIS 42 2HB HIS 42 -7.529 1.797 -5.518
279 HD1 HIS 42 HD1 HIS 42 -10.208 1.418 -4.973
280 HD2 HIS 42 HD2 HIS 42 -9.307 4.526 -7.672
281 HE1 HIS 42 HE1 HIS 42 -12.257 1.824 -6.239
282 H LYS 43 H LYS 43 -7.037 1.951 -2.153
283 HA LYS 43 HA LYS 43 -4.574 3.244 -1.520
284 HB2 LYS 43 1HB LYS 43 -5.912 1.848 0.069
285 HB3 LYS 43 2HB LYS 43 -5.451 0.411 -0.833
286 HG2 LYS 43 1HG LYS 43 -3.103 0.757 -0.264
287 HG3 LYS 43 2HG LYS 43 -3.504 2.271 0.560
288 HD2 LYS 43 1HD LYS 43 -4.932 1.024 2.154
289 HD3 LYS 43 2HD LYS 43 -4.520 -0.489 1.334
290 HE2 LYS 43 1HE LYS 43 -2.132 -0.132 1.877
291 HE3 LYS 43 2HE LYS 43 -2.543 1.375 2.700
292 HZ1 LYS 43 1HZ LYS 43 -2.320 -0.436 4.236
293 HZ2 LYS 43 2HZ LYS 43 -3.879 0.104 4.237
294 HZ3 LYS 43 3HZ LYS 43 -3.493 -1.305 3.468
295 H CYS 44 H CYS 44 -2.531 2.979 -2.132
296 HA CYS 44 HA CYS 44 -1.887 0.685 -3.916
297 HB2 CYS 44 1HB CYS 44 -2.439 2.603 -5.377
298 HB3 CYS 44 2HB CYS 44 -1.264 3.601 -4.529
Start of MODEL 5
1 H1 LYS 1 1H LYS 1 1.108 -0.303 0.086
2 H2 LYS 1 2H LYS 1 2.373 0.159 -0.838
3 H3 LYS 1 3H LYS 1 0.917 -0.112 -1.524
4 HA LYS 1 HA LYS 1 2.617 -2.097 -0.241
5 HB2 LYS 1 1HB LYS 1 -0.110 -2.317 -1.570
6 HB3 LYS 1 2HB LYS 1 0.918 -3.704 -1.237
7 HG2 LYS 1 1HG LYS 1 0.837 -3.191 1.177
8 HG3 LYS 1 2HG LYS 1 -0.203 -1.799 0.839
9 HD2 LYS 1 1HD LYS 1 -1.899 -3.305 -0.153
10 HD3 LYS 1 2HD LYS 1 -0.858 -4.697 0.183
11 HE2 LYS 1 1HE LYS 1 -0.980 -4.221 2.599
12 HE3 LYS 1 2HE LYS 1 -1.983 -2.803 2.281
13 HZ1 LYS 1 1HZ LYS 1 -3.298 -4.693 2.902
14 HZ2 LYS 1 2HZ LYS 1 -3.645 -4.261 1.348
15 HZ3 LYS 1 3HZ LYS 1 -2.708 -5.585 1.647
16 H TYR 2 H TYR 2 1.376 -0.603 -3.190
17 HA TYR 2 HA TYR 2 2.608 -2.383 -5.044
18 HB2 TYR 2 1HB TYR 2 0.870 -0.802 -5.732
19 HB3 TYR 2 2HB TYR 2 1.890 0.563 -5.301
20 HD1 TYR 2 HD1 TYR 2 1.539 -2.293 -7.643
21 HD2 TYR 2 HD2 TYR 2 3.515 1.419 -6.791
22 HE1 TYR 2 HE1 TYR 2 2.464 -2.259 -9.935
23 HE2 TYR 2 HE2 TYR 2 4.440 1.453 -9.083
24 HH TYR 2 HH TYR 2 3.748 -1.170 -11.384
25 H TYR 3 H TYR 3 3.737 0.768 -3.774
26 HA TYR 3 HA TYR 3 6.507 -0.124 -4.450
27 HB2 TYR 3 1HB TYR 3 5.637 1.687 -5.985
28 HB3 TYR 3 2HB TYR 3 5.475 2.735 -4.583
29 HD1 TYR 3 HD1 TYR 3 8.147 0.383 -5.781
30 HD2 TYR 3 HD2 TYR 3 7.096 4.353 -4.538
31 HE1 TYR 3 HE1 TYR 3 10.503 1.085 -6.031
32 HE2 TYR 3 HE2 TYR 3 9.452 5.055 -4.789
33 HH TYR 3 HH TYR 3 11.958 2.751 -5.823
34 H GLY 4 H GLY 4 5.167 2.703 -2.713
35 HA2 GLY 4 1HA GLY 4 4.875 2.904 -0.379
36 HA3 GLY 4 2HA GLY 4 5.718 1.385 -0.142
37 H ASN 5 H ASN 5 7.636 2.976 -2.257
38 HA ASN 5 HA ASN 5 9.297 4.099 -0.043
39 HB2 ASN 5 1HB ASN 5 10.087 2.890 -2.710
40 HB3 ASN 5 2HB ASN 5 11.209 3.733 -1.652
41 HD21 ASN 5 1HD2 ASN 5 10.556 -0.119 -1.101
42 HD22 ASN 5 2HD2 ASN 5 10.204 0.776 -2.541
43 H GLY 6 H GLY 6 7.145 5.502 -1.441
44 HA2 GLY 6 1HA GLY 6 7.798 8.046 -1.563
45 HA3 GLY 6 2HA GLY 6 8.689 7.536 -2.984
46 H VAL 7 H VAL 7 6.331 5.411 -3.154
47 HA VAL 7 HA VAL 7 4.303 7.265 -4.315
48 HB VAL 7 HB VAL 7 5.305 4.690 -5.602
49 HG11 VAL 7 1HG1 VAL 7 3.866 5.325 -7.477
50 HG12 VAL 7 2HG1 VAL 7 2.935 5.056 -5.984
51 HG13 VAL 7 3HG1 VAL 7 3.263 6.714 -6.542
52 HG21 VAL 7 1HG2 VAL 7 6.187 6.195 -7.357
53 HG22 VAL 7 2HG2 VAL 7 5.657 7.605 -6.411
54 HG23 VAL 7 3HG2 VAL 7 6.933 6.539 -5.779
55 H THR 8 H THR 8 2.512 7.003 -3.177
56 HA THR 8 HA THR 8 1.279 4.362 -3.105
57 HB THR 8 HB THR 8 2.701 4.290 -1.048
58 HG1 THR 8 HG1 THR 8 0.382 3.460 -1.281
59 HG21 THR 8 1HG2 THR 8 2.122 5.764 0.840
60 HG22 THR 8 2HG2 THR 8 2.704 6.710 -0.551
61 HG23 THR 8 3HG2 THR 8 0.964 6.635 -0.191
62 H CYS 9 H CYS 9 -0.940 4.402 -2.566
63 HA CYS 9 HA CYS 9 -2.088 7.152 -2.334
64 HB2 CYS 9 1HB CYS 9 -3.118 4.759 -3.896
65 HB3 CYS 9 2HB CYS 9 -4.114 6.159 -3.522
66 H GLY 10 H GLY 10 -3.848 7.448 -0.993
67 HA2 GLY 10 1HA GLY 10 -4.242 5.274 1.012
68 HA3 GLY 10 2HA GLY 10 -4.551 6.980 1.279
69 H LYS 11 H LYS 11 -6.668 7.264 1.611
70 HA LYS 11 HA LYS 11 -8.571 5.389 0.343
71 HB2 LYS 11 1HB LYS 11 -8.660 5.864 2.808
72 HB3 LYS 11 2HB LYS 11 -9.062 7.537 2.445
73 HG2 LYS 11 1HG LYS 11 -11.143 6.839 1.366
74 HG3 LYS 11 2HG LYS 11 -10.731 5.138 1.635
75 HD2 LYS 11 1HD LYS 11 -10.715 5.546 4.088
76 HD3 LYS 11 2HD LYS 11 -11.175 7.230 3.797
77 HE2 LYS 11 1HE LYS 11 -13.258 6.468 2.698
78 HE3 LYS 11 2HE LYS 11 -12.801 4.789 2.993
79 HZ1 LYS 11 1HZ LYS 11 -14.317 5.595 4.648
80 HZ2 LYS 11 2HZ LYS 11 -12.864 5.248 5.347
81 HZ3 LYS 11 3HZ LYS 11 -13.292 6.816 5.071
82 H HIS 12 H HIS 12 -8.251 8.930 0.790
83 HA HIS 12 HA HIS 12 -9.817 9.262 -1.744
84 HB2 HIS 12 1HB HIS 12 -10.019 10.902 0.808
85 HB3 HIS 12 2HB HIS 12 -10.746 11.357 -0.727
86 HD1 HIS 12 HD1 HIS 12 -12.323 9.182 -1.737
87 HD2 HIS 12 HD2 HIS 12 -11.880 9.531 2.440
88 HE1 HIS 12 HE1 HIS 12 -14.226 8.005 -0.756
89 H SER 13 H SER 13 -6.857 9.270 -0.944
90 HA SER 13 HA SER 13 -6.150 11.453 -2.715
91 HB2 SER 13 1HB SER 13 -4.847 12.774 -1.176
92 HB3 SER 13 2HB SER 13 -6.494 12.673 -0.572
93 HG SER 13 HG SER 13 -4.640 12.271 0.883
94 H CYS 14 H CYS 14 -3.872 11.518 -3.212
95 HA CYS 14 HA CYS 14 -2.474 8.991 -2.437
96 HB2 CYS 14 1HB CYS 14 -2.334 10.561 -5.040
97 HB3 CYS 14 2HB CYS 14 -1.264 9.226 -4.634
98 H SER 15 H SER 15 -0.106 9.101 -2.474
99 HA SER 15 HA SER 15 0.958 11.836 -1.978
100 HB2 SER 15 1HB SER 15 0.419 10.898 0.215
101 HB3 SER 15 2HB SER 15 1.311 9.432 -0.158
102 HG SER 15 HG SER 15 2.999 11.240 -0.653
103 H VAL 16 H VAL 16 2.380 12.068 -3.564
104 HA VAL 16 HA VAL 16 4.346 9.850 -3.967
105 HB VAL 16 HB VAL 16 3.309 11.855 -6.017
106 HG11 VAL 16 1HG1 VAL 16 4.658 10.604 -7.631
107 HG12 VAL 16 2HG1 VAL 16 5.660 11.359 -6.369
108 HG13 VAL 16 3HG1 VAL 16 5.319 9.613 -6.309
109 HG21 VAL 16 1HG2 VAL 16 2.353 9.849 -7.105
110 HG22 VAL 16 2HG2 VAL 16 2.943 8.841 -5.761
111 HG23 VAL 16 3HG2 VAL 16 1.690 10.072 -5.468
112 H ASP 17 H ASP 17 6.379 10.319 -3.510
113 HA ASP 17 HA ASP 17 7.096 12.982 -2.624
114 HB2 ASP 17 1HB ASP 17 8.701 10.433 -3.035
115 HB3 ASP 17 2HB ASP 17 9.422 11.928 -2.458
116 H TRP 18 H TRP 18 8.628 14.395 -3.475
117 HA TRP 18 HA TRP 18 8.570 14.722 -6.306
118 HB2 TRP 18 1HB TRP 18 10.381 15.919 -4.176
119 HB3 TRP 18 2HB TRP 18 10.414 16.413 -5.863
120 HD1 TRP 18 HD1 TRP 18 8.608 17.045 -2.643
121 HE1 TRP 18 HE1 TRP 18 6.669 18.717 -3.006
122 HE3 TRP 18 HE3 TRP 18 8.529 17.058 -7.771
123 HZ2 TRP 18 HZ2 TRP 18 5.309 19.876 -5.193
124 HZ3 TRP 18 HZ3 TRP 18 6.883 18.470 -8.937
125 HH2 TRP 18 HH2 TRP 18 5.297 19.861 -7.674
126 H GLY 19 H GLY 19 9.774 13.958 -7.906
127 HA2 GLY 19 1HA GLY 19 11.896 13.194 -8.826
128 HA3 GLY 19 2HA GLY 19 12.347 12.598 -7.240
129 H LYS 20 H LYS 20 9.405 11.618 -7.016
130 HA LYS 20 HA LYS 20 9.875 9.051 -8.437
131 HB2 LYS 20 1HB LYS 20 7.861 9.756 -6.265
132 HB3 LYS 20 2HB LYS 20 8.104 8.158 -6.955
133 HG2 LYS 20 1HG LYS 20 10.239 9.705 -5.458
134 HG3 LYS 20 2HG LYS 20 9.177 8.490 -4.732
135 HD2 LYS 20 1HD LYS 20 10.032 6.808 -6.369
136 HD3 LYS 20 2HD LYS 20 11.145 8.029 -7.004
137 HE2 LYS 20 1HE LYS 20 12.204 8.230 -4.781
138 HE3 LYS 20 2HE LYS 20 11.087 7.026 -4.133
139 HZ1 LYS 20 1HZ LYS 20 13.188 6.058 -4.714
140 HZ2 LYS 20 2HZ LYS 20 12.003 5.432 -5.675
141 HZ3 LYS 20 3HZ LYS 20 13.047 6.557 -6.279
142 H ALA 21 H ALA 21 8.333 8.073 -9.736
143 HA ALA 21 HA ALA 21 6.652 9.964 -11.198
144 HB1 ALA 21 1HB ALA 21 6.149 8.020 -12.643
145 HB2 ALA 21 2HB ALA 21 7.900 8.231 -12.407
146 HB3 ALA 21 3HB ALA 21 7.027 6.963 -11.514
147 H THR 22 H THR 22 4.460 10.044 -11.329
148 HA THR 22 HA THR 22 3.038 9.067 -8.977
149 HB THR 22 HB THR 22 1.063 10.216 -10.026
150 HG1 THR 22 HG1 THR 22 1.195 10.952 -12.029
151 HG21 THR 22 1HG2 THR 22 1.976 12.496 -9.838
152 HG22 THR 22 2HG2 THR 22 2.610 11.450 -8.547
153 HG23 THR 22 3HG2 THR 22 3.629 11.849 -9.949
154 H THR 23 H THR 23 3.589 6.766 -9.587
155 HA THR 23 HA THR 23 2.364 5.672 -11.977
156 HB THR 23 HB THR 23 3.598 4.266 -9.570
157 HG1 THR 23 HG1 THR 23 5.184 5.400 -10.606
158 HG21 THR 23 1HG2 THR 23 3.765 2.327 -11.080
159 HG22 THR 23 2HG2 THR 23 2.067 2.804 -10.842
160 HG23 THR 23 3HG2 THR 23 2.910 3.236 -12.348
161 H CYS 24 H CYS 24 1.646 5.510 -8.489
162 HA CYS 24 HA CYS 24 -0.550 3.701 -8.738
163 HB2 CYS 24 1HB CYS 24 0.197 5.746 -6.624
164 HB3 CYS 24 2HB CYS 24 -1.223 4.720 -6.476
165 H ILE 25 H ILE 25 -0.324 7.241 -8.834
166 HA ILE 25 HA ILE 25 -3.136 7.753 -8.876
167 HB ILE 25 HB ILE 25 -0.762 9.334 -9.936
168 HG12 ILE 25 1HG1 ILE 25 -2.539 9.838 -7.543
169 HG13 ILE 25 2HG1 ILE 25 -1.022 8.957 -7.461
170 HG21 ILE 25 1HG2 ILE 25 -2.312 11.234 -10.148
171 HG22 ILE 25 2HG2 ILE 25 -2.773 9.909 -11.241
172 HG23 ILE 25 3HG2 ILE 25 -3.678 10.172 -9.733
173 HD11 ILE 25 1HD1 ILE 25 -0.725 11.279 -6.804
174 HD12 ILE 25 2HD1 ILE 25 0.182 10.928 -8.295
175 HD13 ILE 25 3HD1 ILE 25 -1.355 11.822 -8.377
176 H ILE 26 H ILE 26 -0.758 7.310 -11.504
177 HA ILE 26 HA ILE 26 -2.594 7.539 -13.661
178 HB ILE 26 HB ILE 26 0.005 5.987 -13.367
179 HG12 ILE 26 1HG1 ILE 26 -0.605 8.487 -14.953
180 HG13 ILE 26 2HG1 ILE 26 -0.007 8.512 -13.301
181 HG21 ILE 26 1HG2 ILE 26 -0.040 5.723 -15.815
182 HG22 ILE 26 2HG2 ILE 26 -1.408 4.877 -15.056
183 HG23 ILE 26 3HG2 ILE 26 -1.668 6.440 -15.866
184 HD11 ILE 26 1HD1 ILE 26 1.805 8.811 -14.894
185 HD12 ILE 26 2HD1 ILE 26 2.006 7.286 -13.996
186 HD13 ILE 26 3HD1 ILE 26 1.401 7.263 -15.670
187 H ASN 27 H ASN 27 -1.616 4.734 -11.700
188 HA ASN 27 HA ASN 27 -3.088 2.792 -13.191
189 HB2 ASN 27 1HB ASN 27 -2.114 2.883 -10.326
190 HB3 ASN 27 2HB ASN 27 -2.990 1.503 -10.974
191 HD21 ASN 27 1HD2 ASN 27 0.661 0.926 -11.304
192 HD22 ASN 27 2HD2 ASN 27 -0.416 1.290 -9.998
193 H ASN 28 H ASN 28 -3.986 4.864 -10.457
194 HA ASN 28 HA ASN 28 -6.587 3.721 -10.074
195 HB2 ASN 28 1HB ASN 28 -5.374 6.409 -9.405
196 HB3 ASN 28 2HB ASN 28 -7.060 6.048 -9.061
197 HD21 ASN 28 1HD2 ASN 28 -5.199 5.279 -6.013
198 HD22 ASN 28 2HD2 ASN 28 -5.591 6.670 -6.967
199 H GLY 29 H GLY 29 -5.398 6.348 -12.142
200 HA2 GLY 29 1HA GLY 29 -7.913 7.141 -13.227
201 HA3 GLY 29 2HA GLY 29 -6.358 7.320 -14.016
202 H ALA 30 H ALA 30 -5.508 4.731 -14.351
203 HA ALA 30 HA ALA 30 -6.984 3.868 -16.622
204 HB1 ALA 30 1HB ALA 30 -5.546 1.856 -16.533
205 HB2 ALA 30 2HB ALA 30 -4.605 3.350 -16.307
206 HB3 ALA 30 3HB ALA 30 -5.001 2.328 -14.907
207 H LEU 31 H LEU 31 -7.004 2.770 -13.246
208 HA LEU 31 HA LEU 31 -8.763 0.566 -13.585
209 HB2 LEU 31 1HB LEU 31 -7.518 0.974 -11.515
210 HB3 LEU 31 2HB LEU 31 -8.425 2.464 -11.234
211 HG LEU 31 HG LEU 31 -10.504 1.118 -10.968
212 HD11 LEU 31 1HD1 LEU 31 -10.314 -1.319 -10.748
213 HD12 LEU 31 2HD1 LEU 31 -9.870 -0.769 -12.382
214 HD13 LEU 31 3HD1 LEU 31 -8.601 -1.228 -11.221
215 HD21 LEU 31 1HD2 LEU 31 -9.876 0.167 -8.775
216 HD22 LEU 31 2HD2 LEU 31 -8.156 0.278 -9.218
217 HD23 LEU 31 3HD2 LEU 31 -9.121 1.761 -9.021
218 H ALA 32 H ALA 32 -9.450 3.996 -12.849
219 HA ALA 32 HA ALA 32 -12.273 3.740 -12.741
220 HB1 ALA 32 1HB ALA 32 -12.308 6.174 -13.180
221 HB2 ALA 32 2HB ALA 32 -11.085 5.742 -11.961
222 HB3 ALA 32 3HB ALA 32 -10.588 6.111 -13.629
223 H TRP 33 H TRP 33 -10.061 4.060 -15.461
224 HA TRP 33 HA TRP 33 -12.220 4.467 -17.386
225 HB2 TRP 33 1HB TRP 33 -9.278 3.797 -17.788
226 HB3 TRP 33 2HB TRP 33 -10.401 4.212 -19.074
227 HD1 TRP 33 HD1 TRP 33 -11.799 6.629 -17.205
228 HE1 TRP 33 HE1 TRP 33 -10.534 8.880 -17.082
229 HE3 TRP 33 HE3 TRP 33 -7.147 4.995 -18.618
230 HZ2 TRP 33 HZ2 TRP 33 -7.906 9.812 -17.528
231 HZ3 TRP 33 HZ3 TRP 33 -5.300 6.618 -18.751
232 HH2 TRP 33 HH2 TRP 33 -5.666 8.990 -18.214
233 H ALA 34 H ALA 34 -10.415 1.776 -16.052
234 HA ALA 34 HA ALA 34 -11.117 -0.042 -18.216
235 HB1 ALA 34 1HB ALA 34 -10.063 -1.762 -16.785
236 HB2 ALA 34 2HB ALA 34 -9.024 -0.329 -16.967
237 HB3 ALA 34 3HB ALA 34 -9.942 -0.578 -15.463
238 H THR 35 H THR 35 -11.964 0.054 -14.729
239 HA THR 35 HA THR 35 -14.349 -1.608 -15.429
240 HB THR 35 HB THR 35 -14.206 -2.567 -13.159
241 HG1 THR 35 HG1 THR 35 -13.080 -0.614 -12.314
242 HG21 THR 35 1HG2 THR 35 -12.132 -3.866 -13.452
243 HG22 THR 35 2HG2 THR 35 -12.992 -3.682 -15.000
244 HG23 THR 35 3HG2 THR 35 -11.559 -2.687 -14.653
245 H GLY 36 H GLY 36 -13.170 1.278 -13.928
246 HA2 GLY 36 1HA GLY 36 -14.894 3.079 -13.708
247 HA3 GLY 36 2HA GLY 36 -15.950 1.883 -12.980
248 H GLY 37 H GLY 37 -15.130 4.385 -11.817
249 HA2 GLY 37 1HA GLY 37 -14.746 4.051 -9.198
250 HA3 GLY 37 2HA GLY 37 -13.128 3.656 -9.747
251 H HIS 38 H HIS 38 -12.358 5.484 -8.543
252 HA HIS 38 HA HIS 38 -12.609 8.028 -10.073
253 HB2 HIS 38 1HB HIS 38 -12.924 7.805 -7.056
254 HB3 HIS 38 2HB HIS 38 -12.782 9.309 -7.957
255 HD2 HIS 38 HD2 HIS 38 -15.478 6.775 -6.911
256 HE1 HIS 38 HE1 HIS 38 -17.289 9.501 -9.638
257 HE2 HIS 38 HE2 HIS 38 -17.702 7.627 -7.961
258 H GLN 39 H GLN 39 -10.715 8.845 -10.543
259 HA GLN 39 HA GLN 39 -8.307 7.549 -9.726
260 HB2 GLN 39 1HB GLN 39 -8.585 8.805 -11.866
261 HB3 GLN 39 2HB GLN 39 -8.659 10.311 -10.962
262 HG2 GLN 39 1HG GLN 39 -6.381 10.005 -10.178
263 HG3 GLN 39 2HG GLN 39 -6.297 8.420 -10.996
264 HE21 GLN 39 1HE2 GLN 39 -4.773 10.056 -13.670
265 HE22 GLN 39 2HE2 GLN 39 -4.641 8.892 -12.394
266 H GLY 40 H GLY 40 -7.242 7.650 -7.901
267 HA2 GLY 40 1HA GLY 40 -5.956 8.916 -6.298
268 HA3 GLY 40 2HA GLY 40 -7.068 10.261 -6.479
269 H ASN 41 H ASN 41 -9.065 7.682 -6.428
270 HA ASN 41 HA ASN 41 -9.398 7.866 -3.463
271 HB2 ASN 41 1HB ASN 41 -11.451 7.515 -5.668
272 HB3 ASN 41 2HB ASN 41 -11.812 7.296 -3.960
273 HD21 ASN 41 1HD2 ASN 41 -11.430 11.003 -5.576
274 HD22 ASN 41 2HD2 ASN 41 -11.073 9.570 -6.479
275 H HIS 42 H HIS 42 -7.674 5.995 -4.888
276 HA HIS 42 HA HIS 42 -8.875 3.529 -3.717
277 HB2 HIS 42 1HB HIS 42 -7.469 3.609 -6.412
278 HB3 HIS 42 2HB HIS 42 -8.075 2.175 -5.594
279 HD1 HIS 42 HD1 HIS 42 -10.788 2.158 -5.204
280 HD2 HIS 42 HD2 HIS 42 -9.394 4.873 -8.110
281 HE1 HIS 42 HE1 HIS 42 -12.712 2.676 -6.620
282 H LYS 43 H LYS 43 -7.503 2.231 -2.649
283 HA LYS 43 HA LYS 43 -5.006 3.425 -1.824
284 HB2 LYS 43 1HB LYS 43 -6.232 0.694 -1.283
285 HB3 LYS 43 2HB LYS 43 -4.737 1.256 -0.547
286 HG2 LYS 43 1HG LYS 43 -5.957 3.130 0.504
287 HG3 LYS 43 2HG LYS 43 -7.460 2.551 -0.229
288 HD2 LYS 43 1HD LYS 43 -7.223 0.404 0.979
289 HD3 LYS 43 2HD LYS 43 -5.721 0.985 1.714
290 HE2 LYS 43 1HE LYS 43 -6.956 2.830 2.796
291 HE3 LYS 43 2HE LYS 43 -8.457 2.268 2.054
292 HZ1 LYS 43 1HZ LYS 43 -8.242 1.497 4.301
293 HZ2 LYS 43 2HZ LYS 43 -8.219 0.212 3.266
294 HZ3 LYS 43 3HZ LYS 43 -6.818 0.736 3.961
295 H CYS 44 H CYS 44 -2.915 2.825 -2.185
296 HA CYS 44 HA CYS 44 -2.397 0.655 -4.127
297 HB2 CYS 44 1HB CYS 44 -2.710 2.692 -5.509
298 HB3 CYS 44 2HB CYS 44 -1.476 3.521 -4.572
Start of MODEL 6
1 H1 LYS 1 1H LYS 1 5.479 -3.242 0.982
2 H2 LYS 1 2H LYS 1 4.662 -1.957 0.391
3 H3 LYS 1 3H LYS 1 4.920 -3.264 -0.552
4 HA LYS 1 HA LYS 1 6.953 -1.457 0.488
5 HB2 LYS 1 1HB LYS 1 7.720 -3.817 0.303
6 HB3 LYS 1 2HB LYS 1 7.215 -3.847 -1.381
7 HG2 LYS 1 1HG LYS 1 8.863 -2.116 -1.932
8 HG3 LYS 1 2HG LYS 1 9.350 -2.025 -0.233
9 HD2 LYS 1 1HD LYS 1 10.054 -4.389 -0.296
10 HD3 LYS 1 2HD LYS 1 9.543 -4.502 -1.987
11 HE2 LYS 1 1HE LYS 1 11.187 -2.755 -2.599
12 HE3 LYS 1 2HE LYS 1 11.701 -2.648 -0.912
13 HZ1 LYS 1 1HZ LYS 1 13.151 -4.046 -2.189
14 HZ2 LYS 1 2HZ LYS 1 12.386 -4.944 -1.036
15 HZ3 LYS 1 3HZ LYS 1 11.908 -5.044 -2.611
16 H TYR 2 H TYR 2 7.393 0.261 -0.700
17 HA TYR 2 HA TYR 2 6.294 0.335 -3.480
18 HB2 TYR 2 1HB TYR 2 5.819 2.707 -3.195
19 HB3 TYR 2 2HB TYR 2 4.995 1.792 -1.941
20 HD1 TYR 2 HD1 TYR 2 7.788 4.085 -2.663
21 HD2 TYR 2 HD2 TYR 2 5.576 2.022 0.379
22 HE1 TYR 2 HE1 TYR 2 8.839 5.506 -0.935
23 HE2 TYR 2 HE2 TYR 2 6.628 3.443 2.107
24 HH TYR 2 HH TYR 2 9.053 5.894 1.248
25 H TYR 3 H TYR 3 9.047 0.100 -1.762
26 HA TYR 3 HA TYR 3 10.615 2.255 -2.892
27 HB2 TYR 3 1HB TYR 3 11.426 -0.330 -1.502
28 HB3 TYR 3 2HB TYR 3 12.557 0.933 -1.971
29 HD1 TYR 3 HD1 TYR 3 9.962 -0.074 0.387
30 HD2 TYR 3 HD2 TYR 3 12.534 3.126 -0.859
31 HE1 TYR 3 HE1 TYR 3 9.550 1.092 2.528
32 HE2 TYR 3 HE2 TYR 3 12.121 4.292 1.281
33 HH TYR 3 HH TYR 3 9.916 2.938 3.717
34 H GLY 4 H GLY 4 12.022 2.295 -4.578
35 HA2 GLY 4 1HA GLY 4 13.029 1.294 -6.552
36 HA3 GLY 4 2HA GLY 4 11.873 -0.021 -6.456
37 H ASN 5 H ASN 5 9.592 1.780 -5.892
38 HA ASN 5 HA ASN 5 9.283 3.001 -8.592
39 HB2 ASN 5 1HB ASN 5 7.252 2.217 -6.481
40 HB3 ASN 5 2HB ASN 5 6.845 3.110 -7.939
41 HD21 ASN 5 1HD2 ASN 5 6.376 -0.607 -8.348
42 HD22 ASN 5 2HD2 ASN 5 5.910 0.509 -7.109
43 H GLY 6 H GLY 6 8.820 3.716 -5.130
44 HA2 GLY 6 1HA GLY 6 9.388 5.738 -4.064
45 HA3 GLY 6 2HA GLY 6 9.702 6.472 -5.625
46 H VAL 7 H VAL 7 6.721 4.724 -5.111
47 HA VAL 7 HA VAL 7 5.227 7.175 -4.431
48 HB VAL 7 HB VAL 7 5.377 7.237 -6.907
49 HG11 VAL 7 1HG1 VAL 7 4.323 5.489 -8.256
50 HG12 VAL 7 2HG1 VAL 7 5.705 4.867 -7.323
51 HG13 VAL 7 3HG1 VAL 7 4.042 4.525 -6.787
52 HG21 VAL 7 1HG2 VAL 7 2.947 7.346 -7.356
53 HG22 VAL 7 2HG2 VAL 7 2.630 6.444 -5.856
54 HG23 VAL 7 3HG2 VAL 7 3.343 8.072 -5.781
55 H THR 8 H THR 8 3.401 6.783 -3.308
56 HA THR 8 HA THR 8 2.157 4.121 -3.391
57 HB THR 8 HB THR 8 3.946 3.826 -1.689
58 HG1 THR 8 HG1 THR 8 1.674 2.971 -1.493
59 HG21 THR 8 1HG2 THR 8 3.827 5.098 0.417
60 HG22 THR 8 2HG2 THR 8 4.123 6.181 -0.964
61 HG23 THR 8 3HG2 THR 8 2.498 6.079 -0.245
62 H CYS 9 H CYS 9 0.070 4.049 -2.566
63 HA CYS 9 HA CYS 9 -1.040 6.693 -1.726
64 HB2 CYS 9 1HB CYS 9 -2.288 4.646 -3.600
65 HB3 CYS 9 2HB CYS 9 -3.150 6.021 -2.924
66 H GLY 10 H GLY 10 -2.712 6.677 -0.227
67 HA2 GLY 10 1HA GLY 10 -3.037 4.097 1.246
68 HA3 GLY 10 2HA GLY 10 -3.256 5.693 1.937
69 H LYS 11 H LYS 11 -5.339 5.808 2.533
70 HA LYS 11 HA LYS 11 -7.455 4.538 0.981
71 HB2 LYS 11 1HB LYS 11 -7.479 6.364 3.413
72 HB3 LYS 11 2HB LYS 11 -8.943 5.732 2.673
73 HG2 LYS 11 1HG LYS 11 -8.192 3.429 3.127
74 HG3 LYS 11 2HG LYS 11 -6.709 4.058 3.858
75 HD2 LYS 11 1HD LYS 11 -8.060 5.262 5.552
76 HD3 LYS 11 2HD LYS 11 -9.539 4.618 4.822
77 HE2 LYS 11 1HE LYS 11 -8.800 2.320 5.317
78 HE3 LYS 11 2HE LYS 11 -7.297 2.940 6.009
79 HZ1 LYS 11 1HZ LYS 11 -8.912 2.453 7.697
80 HZ2 LYS 11 2HZ LYS 11 -8.601 4.073 7.676
81 HZ3 LYS 11 3HZ LYS 11 -10.003 3.494 7.031
82 H HIS 12 H HIS 12 -6.569 7.920 1.740
83 HA HIS 12 HA HIS 12 -7.892 8.759 -0.789
84 HB2 HIS 12 1HB HIS 12 -8.529 9.945 1.938
85 HB3 HIS 12 2HB HIS 12 -9.026 10.631 0.398
86 HD1 HIS 12 HD1 HIS 12 -10.556 8.895 -1.133
87 HD2 HIS 12 HD2 HIS 12 -10.407 8.084 3.000
88 HE1 HIS 12 HE1 HIS 12 -12.518 7.523 -0.644
89 H SER 13 H SER 13 -5.135 8.500 -0.133
90 HA SER 13 HA SER 13 -4.332 11.176 -0.939
91 HB2 SER 13 1HB SER 13 -2.832 11.654 0.887
92 HB3 SER 13 2HB SER 13 -4.444 11.406 1.541
93 HG SER 13 HG SER 13 -2.331 10.251 2.303
94 H CYS 14 H CYS 14 -2.169 11.287 -1.689
95 HA CYS 14 HA CYS 14 -0.774 8.658 -1.869
96 HB2 CYS 14 1HB CYS 14 -1.262 10.602 -4.159
97 HB3 CYS 14 2HB CYS 14 -0.174 9.223 -4.237
98 H SER 15 H SER 15 1.500 8.796 -2.323
99 HA SER 15 HA SER 15 2.712 11.488 -2.049
100 HB2 SER 15 1HB SER 15 2.587 10.637 0.239
101 HB3 SER 15 2HB SER 15 3.344 9.128 -0.249
102 HG SER 15 HG SER 15 5.166 10.290 -0.838
103 H VAL 16 H VAL 16 4.687 11.724 -3.011
104 HA VAL 16 HA VAL 16 5.887 9.344 -4.305
105 HB VAL 16 HB VAL 16 4.186 10.236 -5.901
106 HG11 VAL 16 1HG1 VAL 16 4.515 12.437 -6.922
107 HG12 VAL 16 2HG1 VAL 16 4.177 12.554 -5.178
108 HG13 VAL 16 3HG1 VAL 16 5.839 12.767 -5.780
109 HG21 VAL 16 1HG2 VAL 16 5.725 10.467 -7.825
110 HG22 VAL 16 2HG2 VAL 16 7.083 10.733 -6.705
111 HG23 VAL 16 3HG2 VAL 16 6.247 9.161 -6.736
112 H ASP 17 H ASP 17 8.045 9.476 -4.587
113 HA ASP 17 HA ASP 17 9.453 11.664 -3.308
114 HB2 ASP 17 1HB ASP 17 10.404 9.256 -4.905
115 HB3 ASP 17 2HB ASP 17 11.500 10.425 -4.180
116 H TRP 18 H TRP 18 10.921 13.118 -4.220
117 HA TRP 18 HA TRP 18 10.017 14.349 -6.629
118 HB2 TRP 18 1HB TRP 18 12.590 14.676 -5.039
119 HB3 TRP 18 2HB TRP 18 12.170 15.684 -6.416
120 HD1 TRP 18 HD1 TRP 18 11.613 15.355 -2.726
121 HE1 TRP 18 HE1 TRP 18 9.980 17.178 -1.892
122 HE3 TRP 18 HE3 TRP 18 9.923 17.035 -7.267
123 HZ2 TRP 18 HZ2 TRP 18 8.222 19.070 -3.032
124 HZ3 TRP 18 HZ3 TRP 18 8.263 18.854 -7.326
125 HH2 TRP 18 HH2 TRP 18 7.424 19.861 -5.246
126 H GLY 19 H GLY 19 10.420 13.959 -8.685
127 HA2 GLY 19 1HA GLY 19 11.921 13.491 -10.518
128 HA3 GLY 19 2HA GLY 19 12.939 12.558 -9.438
129 H LYS 20 H LYS 20 10.086 11.553 -8.412
130 HA LYS 20 HA LYS 20 10.022 9.280 -10.332
131 HB2 LYS 20 1HB LYS 20 8.824 9.494 -7.542
132 HB3 LYS 20 2HB LYS 20 8.852 8.052 -8.548
133 HG2 LYS 20 1HG LYS 20 11.300 9.468 -7.448
134 HG3 LYS 20 2HG LYS 20 10.566 8.000 -6.788
135 HD2 LYS 20 1HD LYS 20 10.965 6.861 -8.981
136 HD3 LYS 20 2HD LYS 20 11.791 8.318 -9.552
137 HE2 LYS 20 1HE LYS 20 13.402 8.100 -7.650
138 HE3 LYS 20 2HE LYS 20 12.613 6.590 -7.190
139 HZ1 LYS 20 1HZ LYS 20 14.545 6.200 -8.533
140 HZ2 LYS 20 2HZ LYS 20 13.197 5.696 -9.338
141 HZ3 LYS 20 3HZ LYS 20 13.937 7.107 -9.768
142 H ALA 21 H ALA 21 8.084 8.462 -11.150
143 HA ALA 21 HA ALA 21 6.060 10.568 -11.552
144 HB1 ALA 21 1HB ALA 21 5.167 9.044 -13.285
145 HB2 ALA 21 2HB ALA 21 6.903 9.363 -13.518
146 HB3 ALA 21 3HB ALA 21 6.367 7.819 -12.814
147 H THR 22 H THR 22 3.913 10.424 -11.054
148 HA THR 22 HA THR 22 3.252 8.705 -8.799
149 HB THR 22 HB THR 22 0.985 9.798 -8.993
150 HG1 THR 22 HG1 THR 22 1.122 11.700 -10.521
151 HG21 THR 22 1HG2 THR 22 1.768 12.046 -8.361
152 HG22 THR 22 2HG2 THR 22 2.775 10.787 -7.608
153 HG23 THR 22 3HG2 THR 22 3.376 11.678 -9.025
154 H THR 23 H THR 23 3.726 6.702 -10.063
155 HA THR 23 HA THR 23 1.999 6.008 -12.275
156 HB THR 23 HB THR 23 3.020 3.758 -12.087
157 HG1 THR 23 HG1 THR 23 3.153 3.691 -9.784
158 HG21 THR 23 1HG2 THR 23 5.366 4.428 -12.425
159 HG22 THR 23 2HG2 THR 23 4.259 5.551 -13.249
160 HG23 THR 23 3HG2 THR 23 5.019 6.019 -11.710
161 H CYS 24 H CYS 24 1.798 5.693 -8.815
162 HA CYS 24 HA CYS 24 -0.209 3.654 -8.713
163 HB2 CYS 24 1HB CYS 24 0.517 5.926 -6.836
164 HB3 CYS 24 2HB CYS 24 -0.773 4.788 -6.477
165 H ILE 25 H ILE 25 -0.428 7.225 -8.745
166 HA ILE 25 HA ILE 25 -3.283 7.331 -8.801
167 HB ILE 25 HB ILE 25 -1.154 9.290 -9.742
168 HG12 ILE 25 1HG1 ILE 25 -2.998 9.390 -7.347
169 HG13 ILE 25 2HG1 ILE 25 -1.361 8.754 -7.297
170 HG21 ILE 25 1HG2 ILE 25 -2.960 10.958 -9.875
171 HG22 ILE 25 2HG2 ILE 25 -3.218 9.641 -11.043
172 HG23 ILE 25 3HG2 ILE 25 -4.161 9.691 -9.535
173 HD11 ILE 25 1HD1 ILE 25 -1.433 11.054 -6.512
174 HD12 ILE 25 2HD1 ILE 25 -0.479 10.933 -8.010
175 HD13 ILE 25 3HD1 ILE 25 -2.137 11.579 -8.060
176 H ILE 26 H ILE 26 -0.838 7.212 -11.382
177 HA ILE 26 HA ILE 26 -2.608 7.474 -13.583
178 HB ILE 26 HB ILE 26 0.043 6.011 -13.286
179 HG12 ILE 26 1HG1 ILE 26 -0.616 8.582 -14.733
180 HG13 ILE 26 2HG1 ILE 26 -0.070 8.524 -13.065
181 HG21 ILE 26 1HG2 ILE 26 0.092 5.900 -15.745
182 HG22 ILE 26 2HG2 ILE 26 -1.267 4.956 -15.090
183 HG23 ILE 26 3HG2 ILE 26 -1.562 6.556 -15.812
184 HD11 ILE 26 1HD1 ILE 26 1.776 8.992 -14.575
185 HD12 ILE 26 2HD1 ILE 26 2.010 7.423 -13.770
186 HD13 ILE 26 3HD1 ILE 26 1.458 7.483 -15.461
187 H ASN 27 H ASN 27 -1.511 4.574 -11.817
188 HA ASN 27 HA ASN 27 -2.977 2.708 -13.422
189 HB2 ASN 27 1HB ASN 27 -1.885 2.599 -10.602
190 HB3 ASN 27 2HB ASN 27 -2.758 1.251 -11.317
191 HD21 ASN 27 1HD2 ASN 27 0.905 0.837 -11.841
192 HD22 ASN 27 2HD2 ASN 27 -0.108 1.099 -10.461
193 H ASN 28 H ASN 28 -3.810 4.488 -10.465
194 HA ASN 28 HA ASN 28 -6.366 3.271 -10.082
195 HB2 ASN 28 1HB ASN 28 -5.220 5.958 -9.291
196 HB3 ASN 28 2HB ASN 28 -6.866 5.491 -8.886
197 HD21 ASN 28 1HD2 ASN 28 -4.676 4.635 -6.044
198 HD22 ASN 28 2HD2 ASN 28 -5.100 6.074 -6.908
199 H GLY 29 H GLY 29 -5.337 6.068 -12.009
200 HA2 GLY 29 1HA GLY 29 -7.931 6.842 -12.924
201 HA3 GLY 29 2HA GLY 29 -6.415 7.169 -13.742
202 H ALA 30 H ALA 30 -5.485 4.593 -14.253
203 HA ALA 30 HA ALA 30 -6.915 3.887 -16.600
204 HB1 ALA 30 1HB ALA 30 -5.483 1.870 -16.622
205 HB2 ALA 30 2HB ALA 30 -4.545 3.342 -16.268
206 HB3 ALA 30 3HB ALA 30 -4.974 2.222 -14.954
207 H LEU 31 H LEU 31 -6.993 2.523 -13.320
208 HA LEU 31 HA LEU 31 -8.809 0.396 -13.920
209 HB2 LEU 31 1HB LEU 31 -8.231 1.919 -11.359
210 HB3 LEU 31 2HB LEU 31 -9.310 0.522 -11.435
211 HG LEU 31 HG LEU 31 -6.369 0.452 -12.194
212 HD11 LEU 31 1HD1 LEU 31 -6.057 -0.674 -10.036
213 HD12 LEU 31 2HD1 LEU 31 -6.655 0.988 -9.829
214 HD13 LEU 31 3HD1 LEU 31 -7.767 -0.389 -9.639
215 HD21 LEU 31 1HD2 LEU 31 -6.721 -1.991 -12.067
216 HD22 LEU 31 2HD2 LEU 31 -8.442 -1.725 -11.699
217 HD23 LEU 31 3HD2 LEU 31 -7.788 -1.254 -13.285
218 H ALA 32 H ALA 32 -9.295 3.768 -12.902
219 HA ALA 32 HA ALA 32 -12.137 3.623 -12.685
220 HB1 ALA 32 1HB ALA 32 -12.065 6.085 -12.917
221 HB2 ALA 32 2HB ALA 32 -10.837 5.494 -11.773
222 HB3 ALA 32 3HB ALA 32 -10.361 5.980 -13.416
223 H TRP 33 H TRP 33 -9.975 4.053 -15.428
224 HA TRP 33 HA TRP 33 -12.158 4.685 -17.264
225 HB2 TRP 33 1HB TRP 33 -9.260 3.907 -17.788
226 HB3 TRP 33 2HB TRP 33 -10.393 4.459 -19.014
227 HD1 TRP 33 HD1 TRP 33 -11.630 6.813 -16.967
228 HE1 TRP 33 HE1 TRP 33 -10.253 8.988 -16.727
229 HE3 TRP 33 HE3 TRP 33 -7.090 5.052 -18.574
230 HZ2 TRP 33 HZ2 TRP 33 -7.590 9.819 -17.165
231 HZ3 TRP 33 HZ3 TRP 33 -5.167 6.589 -18.641
232 HH2 TRP 33 HH2 TRP 33 -5.405 8.936 -17.945
233 H ALA 34 H ALA 34 -10.465 1.834 -16.140
234 HA ALA 34 HA ALA 34 -11.314 0.166 -18.364
235 HB1 ALA 34 1HB ALA 34 -10.391 -1.687 -17.009
236 HB2 ALA 34 2HB ALA 34 -9.249 -0.327 -17.131
237 HB3 ALA 34 3HB ALA 34 -10.185 -0.571 -15.639
238 H THR 35 H THR 35 -12.148 0.161 -14.873
239 HA THR 35 HA THR 35 -14.714 -1.165 -15.650
240 HB THR 35 HB THR 35 -14.619 -2.416 -13.520
241 HG1 THR 35 HG1 THR 35 -13.278 -0.846 -12.411
242 HG21 THR 35 1HG2 THR 35 -12.757 -3.926 -14.089
243 HG22 THR 35 2HG2 THR 35 -13.646 -3.435 -15.550
244 HG23 THR 35 3HG2 THR 35 -12.077 -2.688 -15.170
245 H GLY 36 H GLY 36 -13.121 1.336 -13.874
246 HA2 GLY 36 1HA GLY 36 -14.549 3.288 -13.286
247 HA3 GLY 36 2HA GLY 36 -15.762 2.158 -12.717
248 H GLY 37 H GLY 37 -14.272 4.363 -11.344
249 HA2 GLY 37 1HA GLY 37 -13.925 3.318 -8.777
250 HA3 GLY 37 2HA GLY 37 -12.352 3.154 -9.534
251 H HIS 38 H HIS 38 -11.797 4.674 -7.729
252 HA HIS 38 HA HIS 38 -12.384 7.513 -8.502
253 HB2 HIS 38 1HB HIS 38 -11.821 6.376 -5.738
254 HB3 HIS 38 2HB HIS 38 -12.019 8.081 -6.115
255 HD2 HIS 38 HD2 HIS 38 -14.167 5.020 -5.254
256 HE1 HIS 38 HE1 HIS 38 -16.824 8.117 -6.486
257 HE2 HIS 38 HE2 HIS 38 -16.641 5.815 -5.402
258 H GLN 39 H GLN 39 -10.694 8.146 -9.665
259 HA GLN 39 HA GLN 39 -8.066 7.118 -9.440
260 HB2 GLN 39 1HB GLN 39 -8.918 8.367 -11.412
261 HB3 GLN 39 2HB GLN 39 -8.949 9.846 -10.464
262 HG2 GLN 39 1HG GLN 39 -6.526 9.762 -10.197
263 HG3 GLN 39 2HG GLN 39 -6.475 8.228 -11.109
264 HE21 GLN 39 1HE2 GLN 39 -5.571 10.508 -13.704
265 HE22 GLN 39 2HE2 GLN 39 -4.920 9.557 -12.410
266 H GLY 40 H GLY 40 -6.651 7.254 -7.872
267 HA2 GLY 40 1HA GLY 40 -5.115 8.465 -6.520
268 HA3 GLY 40 2HA GLY 40 -6.144 9.881 -6.615
269 H ASN 41 H ASN 41 -8.001 7.131 -5.988
270 HA ASN 41 HA ASN 41 -7.836 7.563 -3.039
271 HB2 ASN 41 1HB ASN 41 -10.339 7.419 -4.748
272 HB3 ASN 41 2HB ASN 41 -10.340 7.290 -2.995
273 HD21 ASN 41 1HD2 ASN 41 -9.988 10.880 -4.838
274 HD22 ASN 41 2HD2 ASN 41 -10.041 9.389 -5.719
275 H HIS 42 H HIS 42 -6.554 5.524 -4.526
276 HA HIS 42 HA HIS 42 -7.840 3.235 -3.115
277 HB2 HIS 42 1HB HIS 42 -6.761 3.119 -5.956
278 HB3 HIS 42 2HB HIS 42 -7.273 1.733 -5.003
279 HD1 HIS 42 HD1 HIS 42 -9.919 1.883 -4.183
280 HD2 HIS 42 HD2 HIS 42 -8.867 4.269 -7.494
281 HE1 HIS 42 HE1 HIS 42 -12.007 2.367 -5.355
282 H LYS 43 H LYS 43 -6.468 1.753 -2.239
283 HA LYS 43 HA LYS 43 -3.917 2.797 -1.468
284 HB2 LYS 43 1HB LYS 43 -5.286 1.246 -0.073
285 HB3 LYS 43 2HB LYS 43 -4.972 -0.048 -1.221
286 HG2 LYS 43 1HG LYS 43 -2.581 0.037 -0.719
287 HG3 LYS 43 2HG LYS 43 -2.841 1.404 0.374
288 HD2 LYS 43 1HD LYS 43 -4.293 -0.003 1.797
289 HD3 LYS 43 2HD LYS 43 -4.042 -1.371 0.702
290 HE2 LYS 43 1HE LYS 43 -1.614 -1.300 1.171
291 HE3 LYS 43 2HE LYS 43 -1.863 0.063 2.265
292 HZ1 LYS 43 1HZ LYS 43 -1.733 -2.004 3.447
293 HZ2 LYS 43 2HZ LYS 43 -3.238 -1.355 3.626
294 HZ3 LYS 43 3HZ LYS 43 -3.005 -2.630 2.606
295 H CYS 44 H CYS 44 -1.907 2.507 -2.178
296 HA CYS 44 HA CYS 44 -1.437 0.473 -4.294
297 HB2 CYS 44 1HB CYS 44 -1.918 2.575 -5.482
298 HB3 CYS 44 2HB CYS 44 -0.709 3.418 -4.525
Start of MODEL 7
1 H1 LYS 1 1H LYS 1 2.836 8.088 2.168
2 H2 LYS 1 2H LYS 1 2.973 6.513 2.575
3 H3 LYS 1 3H LYS 1 1.798 6.991 1.548
4 HA LYS 1 HA LYS 1 2.029 7.708 4.361
5 HB2 LYS 1 1HB LYS 1 -0.009 8.462 2.234
6 HB3 LYS 1 2HB LYS 1 -0.302 8.646 3.958
7 HG2 LYS 1 1HG LYS 1 1.595 10.198 4.134
8 HG3 LYS 1 2HG LYS 1 1.932 9.990 2.410
9 HD2 LYS 1 1HD LYS 1 -0.314 10.882 1.865
10 HD3 LYS 1 2HD LYS 1 -0.643 11.097 3.590
11 HE2 LYS 1 1HE LYS 1 1.218 12.687 3.775
12 HE3 LYS 1 2HE LYS 1 1.631 12.434 2.077
13 HZ1 LYS 1 1HZ LYS 1 0.335 14.413 2.385
14 HZ2 LYS 1 2HZ LYS 1 -0.516 13.326 1.483
15 HZ3 LYS 1 3HZ LYS 1 -0.901 13.563 3.068
16 H TYR 2 H TYR 2 -0.055 6.137 1.903
17 HA TYR 2 HA TYR 2 -0.576 3.997 3.914
18 HB2 TYR 2 1HB TYR 2 -2.629 5.375 2.137
19 HB3 TYR 2 2HB TYR 2 -2.935 3.886 3.023
20 HD1 TYR 2 HD1 TYR 2 -2.660 7.497 3.210
21 HD2 TYR 2 HD2 TYR 2 -2.919 3.888 5.515
22 HE1 TYR 2 HE1 TYR 2 -3.311 8.813 5.198
23 HE2 TYR 2 HE2 TYR 2 -3.571 5.204 7.503
24 HH TYR 2 HH TYR 2 -3.983 7.222 8.319
25 H TYR 3 H TYR 3 -0.292 4.989 0.553
26 HA TYR 3 HA TYR 3 -0.463 2.144 -0.295
27 HB2 TYR 3 1HB TYR 3 -0.508 4.749 -1.864
28 HB3 TYR 3 2HB TYR 3 -0.441 3.165 -2.622
29 HD1 TYR 3 HD1 TYR 3 -2.271 2.022 -0.213
30 HD2 TYR 3 HD2 TYR 3 -2.597 5.166 -3.116
31 HE1 TYR 3 HE1 TYR 3 -4.736 1.866 -0.107
32 HE2 TYR 3 HE2 TYR 3 -5.061 5.009 -3.009
33 HH TYR 3 HH TYR 3 -6.801 3.991 -2.093
34 H GLY 4 H GLY 4 1.704 4.946 -0.294
35 HA2 GLY 4 1HA GLY 4 4.036 3.194 -0.450
36 HA3 GLY 4 2HA GLY 4 3.774 4.105 -1.925
37 H ASN 5 H ASN 5 5.847 5.116 -1.449
38 HA ASN 5 HA ASN 5 6.211 6.575 1.031
39 HB2 ASN 5 1HB ASN 5 8.074 5.559 -0.291
40 HB3 ASN 5 2HB ASN 5 7.797 6.753 -1.551
41 HD21 ASN 5 1HD2 ASN 5 10.518 7.843 0.778
42 HD22 ASN 5 2HD2 ASN 5 10.208 6.389 -0.110
43 H GLY 6 H GLY 6 4.571 8.033 1.276
44 HA2 GLY 6 1HA GLY 6 3.835 10.268 1.154
45 HA3 GLY 6 2HA GLY 6 4.878 10.536 -0.231
46 H VAL 7 H VAL 7 2.836 7.723 -0.259
47 HA VAL 7 HA VAL 7 1.113 9.073 -2.296
48 HB VAL 7 HB VAL 7 2.116 6.193 -2.262
49 HG11 VAL 7 1HG1 VAL 7 1.036 6.001 -4.450
50 HG12 VAL 7 2HG1 VAL 7 -0.137 6.342 -3.156
51 HG13 VAL 7 3HG1 VAL 7 0.369 7.640 -4.264
52 HG21 VAL 7 1HG2 VAL 7 3.353 6.877 -4.293
53 HG22 VAL 7 2HG2 VAL 7 2.757 8.542 -4.094
54 HG23 VAL 7 3HG2 VAL 7 3.853 7.837 -2.882
55 H THR 8 H THR 8 -0.979 9.126 -1.820
56 HA THR 8 HA THR 8 -2.246 6.630 -0.973
57 HB THR 8 HB THR 8 -1.709 7.762 1.214
58 HG1 THR 8 HG1 THR 8 -4.379 7.961 1.363
59 HG21 THR 8 1HG2 THR 8 -2.997 9.774 1.816
60 HG22 THR 8 2HG2 THR 8 -1.918 10.098 0.440
61 HG23 THR 8 3HG2 THR 8 -3.658 9.850 0.167
62 H CYS 9 H CYS 9 -4.771 7.344 -0.532
63 HA CYS 9 HA CYS 9 -5.531 9.388 -2.545
64 HB2 CYS 9 1HB CYS 9 -6.542 6.522 -2.501
65 HB3 CYS 9 2HB CYS 9 -7.356 7.822 -3.359
66 H GLY 10 H GLY 10 -7.693 10.183 -2.316
67 HA2 GLY 10 1HA GLY 10 -8.705 9.894 0.478
68 HA3 GLY 10 2HA GLY 10 -9.004 11.261 -0.577
69 H LYS 11 H LYS 11 -11.164 11.314 -0.838
70 HA LYS 11 HA LYS 11 -12.630 8.762 -1.195
71 HB2 LYS 11 1HB LYS 11 -13.451 10.409 0.482
72 HB3 LYS 11 2HB LYS 11 -13.668 11.596 -0.797
73 HG2 LYS 11 1HG LYS 11 -15.375 10.203 -1.853
74 HG3 LYS 11 2HG LYS 11 -15.114 8.935 -0.646
75 HD2 LYS 11 1HD LYS 11 -15.798 10.514 1.144
76 HD3 LYS 11 2HD LYS 11 -16.088 11.760 -0.078
77 HE2 LYS 11 1HE LYS 11 -17.785 10.300 -1.148
78 HE3 LYS 11 2HE LYS 11 -17.511 9.078 0.097
79 HZ1 LYS 11 1HZ LYS 11 -19.407 10.435 0.596
80 HZ2 LYS 11 2HZ LYS 11 -18.239 10.670 1.738
81 HZ3 LYS 11 3HZ LYS 11 -18.498 11.811 0.574
82 H HIS 12 H HIS 12 -12.525 12.002 -2.728
83 HA HIS 12 HA HIS 12 -13.602 10.722 -5.213
84 HB2 HIS 12 1HB HIS 12 -13.751 13.607 -4.264
85 HB3 HIS 12 2HB HIS 12 -14.322 13.033 -5.824
86 HD1 HIS 12 HD1 HIS 12 -16.177 10.933 -5.550
87 HD2 HIS 12 HD2 HIS 12 -15.792 13.576 -2.291
88 HE1 HIS 12 HE1 HIS 12 -18.253 10.740 -4.277
89 H SER 13 H SER 13 -10.730 11.366 -3.992
90 HA SER 13 HA SER 13 -9.492 11.611 -6.588
91 HB2 SER 13 1HB SER 13 -8.438 13.751 -6.358
92 HB3 SER 13 2HB SER 13 -10.168 13.985 -6.156
93 HG SER 13 HG SER 13 -8.111 14.071 -4.298
94 H CYS 14 H CYS 14 -7.063 11.854 -6.370
95 HA CYS 14 HA CYS 14 -6.197 10.434 -3.890
96 HB2 CYS 14 1HB CYS 14 -5.062 10.411 -6.710
97 HB3 CYS 14 2HB CYS 14 -4.213 9.737 -5.325
98 H SER 15 H SER 15 -3.863 10.818 -3.312
99 HA SER 15 HA SER 15 -2.994 13.596 -3.861
100 HB2 SER 15 1HB SER 15 -4.472 13.807 -1.926
101 HB3 SER 15 2HB SER 15 -3.619 12.517 -1.093
102 HG SER 15 HG SER 15 -2.051 14.549 -2.046
103 H VAL 16 H VAL 16 -0.931 13.529 -4.355
104 HA VAL 16 HA VAL 16 0.812 11.658 -2.809
105 HB VAL 16 HB VAL 16 1.016 12.397 -5.760
106 HG11 VAL 16 1HG1 VAL 16 2.956 10.907 -5.817
107 HG12 VAL 16 2HG1 VAL 16 3.221 12.304 -4.746
108 HG13 VAL 16 3HG1 VAL 16 2.854 10.706 -4.052
109 HG21 VAL 16 1HG2 VAL 16 0.676 9.970 -6.101
110 HG22 VAL 16 2HG2 VAL 16 0.500 9.749 -4.345
111 HG23 VAL 16 3HG2 VAL 16 -0.704 10.700 -5.248
112 H ASP 17 H ASP 17 2.619 12.485 -1.944
113 HA ASP 17 HA ASP 17 2.859 15.325 -1.710
114 HB2 ASP 17 1HB ASP 17 4.745 13.051 -0.996
115 HB3 ASP 17 2HB ASP 17 5.110 14.735 -0.648
116 H TRP 18 H TRP 18 4.318 16.785 -2.525
117 HA TRP 18 HA TRP 18 5.044 16.408 -5.257
118 HB2 TRP 18 1HB TRP 18 5.905 18.487 -3.211
119 HB3 TRP 18 2HB TRP 18 6.349 18.560 -4.910
120 HD1 TRP 18 HD1 TRP 18 3.587 19.464 -2.547
121 HE1 TRP 18 HE1 TRP 18 1.584 20.467 -3.838
122 HE3 TRP 18 HE3 TRP 18 5.034 18.246 -7.314
123 HZ2 TRP 18 HZ2 TRP 18 0.754 20.701 -6.526
124 HZ3 TRP 18 HZ3 TRP 18 3.589 18.887 -9.202
125 HH2 TRP 18 HH2 TRP 18 1.482 20.098 -8.822
126 H GLY 19 H GLY 19 6.761 15.571 -6.214
127 HA2 GLY 19 1HA GLY 19 9.150 15.223 -6.406
128 HA3 GLY 19 2HA GLY 19 9.286 15.267 -4.658
129 H LYS 20 H LYS 20 6.596 13.541 -4.947
130 HA LYS 20 HA LYS 20 8.078 10.963 -4.959
131 HB2 LYS 20 1HB LYS 20 5.256 11.545 -3.979
132 HB3 LYS 20 2HB LYS 20 6.151 10.048 -3.762
133 HG2 LYS 20 1HG LYS 20 6.888 12.735 -2.563
134 HG3 LYS 20 2HG LYS 20 6.115 11.387 -1.716
135 HD2 LYS 20 1HD LYS 20 8.106 9.965 -2.236
136 HD3 LYS 20 2HD LYS 20 8.881 11.373 -2.978
137 HE2 LYS 20 1HE LYS 20 8.682 12.584 -0.802
138 HE3 LYS 20 2HE LYS 20 8.005 11.124 -0.077
139 HZ1 LYS 20 1HZ LYS 20 10.346 11.309 0.336
140 HZ2 LYS 20 2HZ LYS 20 10.050 9.985 -0.603
141 HZ3 LYS 20 3HZ LYS 20 10.683 11.350 -1.278
142 H ALA 21 H ALA 21 7.036 9.071 -5.893
143 HA ALA 21 HA ALA 21 6.325 9.638 -8.627
144 HB1 ALA 21 1HB ALA 21 6.107 7.183 -8.835
145 HB2 ALA 21 2HB ALA 21 7.616 7.643 -8.011
146 HB3 ALA 21 3HB ALA 21 6.238 7.030 -7.067
147 H THR 22 H THR 22 4.432 9.447 -9.723
148 HA THR 22 HA THR 22 1.996 9.201 -8.009
149 HB THR 22 HB THR 22 0.849 10.596 -9.738
150 HG1 THR 22 HG1 THR 22 2.028 11.474 -11.392
151 HG21 THR 22 1HG2 THR 22 1.931 12.726 -9.137
152 HG22 THR 22 2HG2 THR 22 1.815 11.651 -7.723
153 HG23 THR 22 3HG2 THR 22 3.367 11.842 -8.571
154 H THR 23 H THR 23 3.466 6.998 -9.233
155 HA THR 23 HA THR 23 2.101 6.175 -11.636
156 HB THR 23 HB THR 23 3.145 3.965 -11.219
157 HG1 THR 23 HG1 THR 23 4.429 3.759 -9.298
158 HG21 THR 23 1HG2 THR 23 5.494 4.705 -11.227
159 HG22 THR 23 2HG2 THR 23 4.491 5.764 -12.247
160 HG23 THR 23 3HG2 THR 23 4.998 6.306 -10.630
161 H CYS 24 H CYS 24 1.435 5.860 -8.215
162 HA CYS 24 HA CYS 24 -0.616 3.889 -8.371
163 HB2 CYS 24 1HB CYS 24 0.312 4.673 -6.231
164 HB3 CYS 24 2HB CYS 24 -0.343 6.280 -6.509
165 H ILE 25 H ILE 25 -0.779 7.460 -8.565
166 HA ILE 25 HA ILE 25 -3.565 7.643 -9.049
167 HB ILE 25 HB ILE 25 -1.253 9.435 -9.881
168 HG12 ILE 25 1HG1 ILE 25 -3.380 9.829 -7.769
169 HG13 ILE 25 2HG1 ILE 25 -1.800 9.134 -7.445
170 HG21 ILE 25 1HG2 ILE 25 -2.950 11.142 -10.397
171 HG22 ILE 25 2HG2 ILE 25 -3.117 9.730 -11.466
172 HG23 ILE 25 3HG2 ILE 25 -4.241 9.953 -10.105
173 HD11 ILE 25 1HD1 ILE 25 -1.849 11.500 -6.884
174 HD12 ILE 25 2HD1 ILE 25 -0.718 11.198 -8.225
175 HD13 ILE 25 3HD1 ILE 25 -2.318 11.903 -8.552
176 H ILE 26 H ILE 26 -0.834 7.266 -11.303
177 HA ILE 26 HA ILE 26 -2.340 7.440 -13.704
178 HB ILE 26 HB ILE 26 0.243 5.975 -13.044
179 HG12 ILE 26 1HG1 ILE 26 -0.212 8.492 -14.656
180 HG13 ILE 26 2HG1 ILE 26 0.136 8.495 -12.935
181 HG21 ILE 26 1HG2 ILE 26 0.572 5.766 -15.476
182 HG22 ILE 26 2HG2 ILE 26 -0.864 4.861 -14.944
183 HG23 ILE 26 3HG2 ILE 26 -1.054 6.431 -15.756
184 HD11 ILE 26 1HD1 ILE 26 2.151 8.889 -14.237
185 HD12 ILE 26 2HD1 ILE 26 2.270 7.350 -13.351
186 HD13 ILE 26 3HD1 ILE 26 1.917 7.348 -15.095
187 H ASN 27 H ASN 27 -1.437 4.601 -11.734
188 HA ASN 27 HA ASN 27 -2.737 2.696 -13.436
189 HB2 ASN 27 1HB ASN 27 -1.892 2.629 -10.529
190 HB3 ASN 27 2HB ASN 27 -2.670 1.260 -11.314
191 HD21 ASN 27 1HD2 ASN 27 1.034 0.920 -11.496
192 HD22 ASN 27 2HD2 ASN 27 -0.106 1.168 -10.215
193 H ASN 28 H ASN 28 -3.826 4.497 -10.577
194 HA ASN 28 HA ASN 28 -6.368 3.177 -10.390
195 HB2 ASN 28 1HB ASN 28 -5.340 5.846 -9.396
196 HB3 ASN 28 2HB ASN 28 -6.993 5.316 -9.114
197 HD21 ASN 28 1HD2 ASN 28 -4.887 4.375 -6.212
198 HD22 ASN 28 2HD2 ASN 28 -5.265 5.850 -7.040
199 H GLY 29 H GLY 29 -5.238 5.999 -12.193
200 HA2 GLY 29 1HA GLY 29 -7.758 6.895 -13.170
201 HA3 GLY 29 2HA GLY 29 -6.214 7.131 -13.966
202 H ALA 30 H ALA 30 -5.388 4.586 -14.553
203 HA ALA 30 HA ALA 30 -6.933 3.909 -16.843
204 HB1 ALA 30 1HB ALA 30 -5.490 1.904 -16.966
205 HB2 ALA 30 2HB ALA 30 -4.545 3.379 -16.651
206 HB3 ALA 30 3HB ALA 30 -4.892 2.244 -15.326
207 H LEU 31 H LEU 31 -6.788 2.471 -13.593
208 HA LEU 31 HA LEU 31 -8.605 0.332 -14.135
209 HB2 LEU 31 1HB LEU 31 -7.866 1.782 -11.575
210 HB3 LEU 31 2HB LEU 31 -8.937 0.378 -11.615
211 HG LEU 31 HG LEU 31 -6.060 0.356 -12.591
212 HD11 LEU 31 1HD1 LEU 31 -5.577 -0.820 -10.492
213 HD12 LEU 31 2HD1 LEU 31 -6.170 0.831 -10.198
214 HD13 LEU 31 3HD1 LEU 31 -7.254 -0.560 -9.960
215 HD21 LEU 31 1HD2 LEU 31 -6.382 -2.093 -12.499
216 HD22 LEU 31 2HD2 LEU 31 -8.074 -1.851 -11.995
217 HD23 LEU 31 3HD2 LEU 31 -7.545 -1.335 -13.614
218 H ALA 32 H ALA 32 -9.078 3.658 -12.976
219 HA ALA 32 HA ALA 32 -11.872 3.441 -12.475
220 HB1 ALA 32 1HB ALA 32 -11.885 5.907 -12.663
221 HB2 ALA 32 2HB ALA 32 -10.524 5.328 -11.672
222 HB3 ALA 32 3HB ALA 32 -10.243 5.856 -13.348
223 H TRP 33 H TRP 33 -10.050 4.216 -15.419
224 HA TRP 33 HA TRP 33 -12.344 4.808 -17.035
225 HB2 TRP 33 1HB TRP 33 -9.583 3.780 -17.803
226 HB3 TRP 33 2HB TRP 33 -10.788 4.348 -18.951
227 HD1 TRP 33 HD1 TRP 33 -11.641 6.857 -16.843
228 HE1 TRP 33 HE1 TRP 33 -10.123 8.949 -16.885
229 HE3 TRP 33 HE3 TRP 33 -7.471 4.763 -18.972
230 HZ2 TRP 33 HZ2 TRP 33 -7.502 9.597 -17.711
231 HZ3 TRP 33 HZ3 TRP 33 -5.492 6.175 -19.363
232 HH2 TRP 33 HH2 TRP 33 -5.499 8.555 -18.741
233 H ALA 34 H ALA 34 -10.598 1.814 -16.287
234 HA ALA 34 HA ALA 34 -12.017 0.222 -18.228
235 HB1 ALA 34 1HB ALA 34 -11.043 -1.702 -17.016
236 HB2 ALA 34 2HB ALA 34 -9.823 -0.452 -17.356
237 HB3 ALA 34 3HB ALA 34 -10.508 -0.604 -15.722
238 H THR 35 H THR 35 -12.515 0.975 -14.805
239 HA THR 35 HA THR 35 -14.727 -0.989 -14.685
240 HB THR 35 HB THR 35 -14.729 -0.537 -12.258
241 HG1 THR 35 HG1 THR 35 -12.680 0.863 -11.737
242 HG21 THR 35 1HG2 THR 35 -12.473 -1.379 -11.738
243 HG22 THR 35 2HG2 THR 35 -13.154 -2.216 -13.154
244 HG23 THR 35 3HG2 THR 35 -11.929 -0.945 -13.375
245 H GLY 36 H GLY 36 -14.192 2.374 -15.116
246 HA2 GLY 36 1HA GLY 36 -15.804 4.012 -15.618
247 HA3 GLY 36 2HA GLY 36 -17.079 2.886 -15.194
248 H GLY 37 H GLY 37 -14.297 3.667 -13.143
249 HA2 GLY 37 1HA GLY 37 -16.197 4.670 -11.072
250 HA3 GLY 37 2HA GLY 37 -14.601 4.011 -10.762
251 H HIS 38 H HIS 38 -13.497 5.631 -9.822
252 HA HIS 38 HA HIS 38 -12.879 8.016 -11.422
253 HB2 HIS 38 1HB HIS 38 -13.592 9.648 -9.792
254 HB3 HIS 38 2HB HIS 38 -14.981 8.674 -10.252
255 HD2 HIS 38 HD2 HIS 38 -12.926 9.564 -7.096
256 HE1 HIS 38 HE1 HIS 38 -15.886 6.714 -5.964
257 HE2 HIS 38 HE2 HIS 38 -14.117 8.348 -5.126
258 H GLN 39 H GLN 39 -11.324 9.460 -10.234
259 HA GLN 39 HA GLN 39 -9.098 7.893 -9.392
260 HB2 GLN 39 1HB GLN 39 -8.951 10.171 -10.425
261 HB3 GLN 39 2HB GLN 39 -9.586 10.865 -8.939
262 HG2 GLN 39 1HG GLN 39 -7.636 10.002 -7.705
263 HG3 GLN 39 2HG GLN 39 -6.987 9.344 -9.234
264 HE21 GLN 39 1HE2 GLN 39 -6.116 12.529 -10.595
265 HE22 GLN 39 2HE2 GLN 39 -6.693 10.953 -11.026
266 H GLY 40 H GLY 40 -8.713 6.906 -7.559
267 HA2 GLY 40 1HA GLY 40 -8.353 6.967 -5.171
268 HA3 GLY 40 2HA GLY 40 -9.623 8.166 -5.018
269 H ASN 41 H ASN 41 -10.636 5.863 -7.223
270 HA ASN 41 HA ASN 41 -12.262 4.491 -5.155
271 HB2 ASN 41 1HB ASN 41 -13.215 5.566 -7.312
272 HB3 ASN 41 2HB ASN 41 -12.545 4.171 -8.146
273 HD21 ASN 41 1HD2 ASN 41 -15.425 2.372 -7.539
274 HD22 ASN 41 2HD2 ASN 41 -14.188 2.893 -8.634
275 H HIS 42 H HIS 42 -9.310 4.045 -6.321
276 HA HIS 42 HA HIS 42 -9.545 1.083 -6.050
277 HB2 HIS 42 1HB HIS 42 -8.025 2.535 -8.245
278 HB3 HIS 42 2HB HIS 42 -7.829 0.831 -7.863
279 HD1 HIS 42 HD1 HIS 42 -10.100 -0.666 -8.122
280 HD2 HIS 42 HD2 HIS 42 -10.189 3.085 -10.042
281 HE1 HIS 42 HE1 HIS 42 -11.866 -0.811 -9.805
282 H LYS 43 H LYS 43 -7.709 0.029 -5.275
283 HA LYS 43 HA LYS 43 -6.008 1.859 -3.662
284 HB2 LYS 43 1HB LYS 43 -6.579 -1.119 -3.378
285 HB3 LYS 43 2HB LYS 43 -5.504 -0.204 -2.331
286 HG2 LYS 43 1HG LYS 43 -7.409 1.218 -1.631
287 HG3 LYS 43 2HG LYS 43 -8.483 0.256 -2.657
288 HD2 LYS 43 1HD LYS 43 -7.909 -1.772 -1.363
289 HD3 LYS 43 2HD LYS 43 -6.828 -0.815 -0.340
290 HE2 LYS 43 1HE LYS 43 -8.740 0.562 0.400
291 HE3 LYS 43 2HE LYS 43 -9.823 -0.375 -0.631
292 HZ1 LYS 43 1HZ LYS 43 -9.881 -1.134 1.630
293 HZ2 LYS 43 2HZ LYS 43 -9.273 -2.321 0.660
294 HZ3 LYS 43 3HZ LYS 43 -8.262 -1.445 1.625
295 H CYS 44 H CYS 44 -3.760 1.426 -3.379
296 HA CYS 44 HA CYS 44 -2.560 -0.038 -5.695
297 HB2 CYS 44 1HB CYS 44 -1.514 2.428 -4.250
298 HB3 CYS 44 2HB CYS 44 -0.625 1.534 -5.475
Start of MODEL 8
1 H1 LYS 1 1H LYS 1 -2.052 -4.157 -3.411
2 H2 LYS 1 2H LYS 1 -0.770 -4.236 -4.420
3 H3 LYS 1 3H LYS 1 -1.357 -2.785 -3.958
4 HA LYS 1 HA LYS 1 -2.732 -4.760 -5.596
5 HB2 LYS 1 1HB LYS 1 -3.582 -1.994 -4.649
6 HB3 LYS 1 2HB LYS 1 -4.421 -2.918 -5.887
7 HG2 LYS 1 1HG LYS 1 -4.029 -3.838 -3.024
8 HG3 LYS 1 2HG LYS 1 -5.487 -3.061 -3.657
9 HD2 LYS 1 1HD LYS 1 -5.721 -4.910 -5.317
10 HD3 LYS 1 2HD LYS 1 -4.308 -5.700 -4.601
11 HE2 LYS 1 1HE LYS 1 -5.491 -5.811 -2.420
12 HE3 LYS 1 2HE LYS 1 -6.908 -5.057 -3.158
13 HZ1 LYS 1 1HZ LYS 1 -7.116 -7.432 -3.073
14 HZ2 LYS 1 2HZ LYS 1 -7.060 -6.935 -4.645
15 HZ3 LYS 1 3HZ LYS 1 -5.739 -7.640 -3.954
16 H TYR 2 H TYR 2 -1.870 -1.281 -5.619
17 HA TYR 2 HA TYR 2 -0.782 -1.714 -8.367
18 HB2 TYR 2 1HB TYR 2 -2.490 0.624 -7.420
19 HB3 TYR 2 2HB TYR 2 -1.723 0.502 -8.997
20 HD1 TYR 2 HD1 TYR 2 -4.569 -0.390 -6.979
21 HD2 TYR 2 HD2 TYR 2 -2.416 -1.359 -10.563
22 HE1 TYR 2 HE1 TYR 2 -6.556 -1.573 -7.854
23 HE2 TYR 2 HE2 TYR 2 -4.403 -2.541 -11.437
24 HH TYR 2 HH TYR 2 -7.408 -2.739 -9.542
25 H TYR 3 H TYR 3 0.617 -1.640 -5.827
26 HA TYR 3 HA TYR 3 1.706 0.918 -5.261
27 HB2 TYR 3 1HB TYR 3 1.938 -0.984 -3.724
28 HB3 TYR 3 2HB TYR 3 2.921 -1.850 -4.896
29 HD1 TYR 3 HD1 TYR 3 2.824 1.294 -2.883
30 HD2 TYR 3 HD2 TYR 3 5.238 -1.627 -4.897
31 HE1 TYR 3 HE1 TYR 3 4.862 2.320 -1.931
32 HE2 TYR 3 HE2 TYR 3 7.274 -0.600 -3.946
33 HH TYR 3 HH TYR 3 7.076 2.207 -1.770
34 H GLY 4 H GLY 4 3.129 2.183 -6.203
35 HA2 GLY 4 1HA GLY 4 4.640 1.074 -8.539
36 HA3 GLY 4 2HA GLY 4 4.130 2.745 -8.383
37 H ASN 5 H ASN 5 6.495 3.035 -8.888
38 HA ASN 5 HA ASN 5 8.469 2.204 -6.950
39 HB2 ASN 5 1HB ASN 5 8.952 2.658 -9.359
40 HB3 ASN 5 2HB ASN 5 8.663 4.368 -9.071
41 HD21 ASN 5 1HD2 ASN 5 12.313 3.516 -8.856
42 HD22 ASN 5 2HD2 ASN 5 11.075 3.172 -10.017
43 H GLY 6 H GLY 6 7.580 2.894 -4.966
44 HA2 GLY 6 1HA GLY 6 8.009 4.300 -3.132
45 HA3 GLY 6 2HA GLY 6 8.670 5.508 -4.218
46 H VAL 7 H VAL 7 5.513 4.016 -4.712
47 HA VAL 7 HA VAL 7 4.134 6.367 -3.563
48 HB VAL 7 HB VAL 7 4.591 6.999 -5.914
49 HG11 VAL 7 1HG1 VAL 7 3.607 5.730 -7.760
50 HG12 VAL 7 2HG1 VAL 7 4.813 4.776 -6.865
51 HG13 VAL 7 3HG1 VAL 7 3.077 4.475 -6.614
52 HG21 VAL 7 1HG2 VAL 7 2.250 7.442 -6.582
53 HG22 VAL 7 2HG2 VAL 7 1.686 6.242 -5.395
54 HG23 VAL 7 3HG2 VAL 7 2.489 7.732 -4.843
55 H THR 8 H THR 8 2.152 5.920 -2.771
56 HA THR 8 HA THR 8 0.838 3.378 -3.510
57 HB THR 8 HB THR 8 2.405 2.837 -1.605
58 HG1 THR 8 HG1 THR 8 0.325 1.770 -1.973
59 HG21 THR 8 1HG2 THR 8 1.815 3.678 0.634
60 HG22 THR 8 2HG2 THR 8 2.278 5.015 -0.445
61 HG23 THR 8 3HG2 THR 8 0.563 4.719 -0.082
62 H CYS 9 H CYS 9 -1.172 3.173 -1.853
63 HA CYS 9 HA CYS 9 -2.244 5.731 -0.976
64 HB2 CYS 9 1HB CYS 9 -2.755 5.788 -3.426
65 HB3 CYS 9 2HB CYS 9 -3.663 4.294 -3.252
66 H GLY 10 H GLY 10 -3.713 5.483 0.611
67 HA2 GLY 10 1HA GLY 10 -4.272 2.698 1.456
68 HA3 GLY 10 2HA GLY 10 -4.450 4.138 2.439
69 H LYS 11 H LYS 11 -6.541 4.110 3.062
70 HA LYS 11 HA LYS 11 -8.607 3.257 1.125
71 HB2 LYS 11 1HB LYS 11 -8.594 2.299 3.425
72 HB3 LYS 11 2HB LYS 11 -8.826 3.909 4.092
73 HG2 LYS 11 1HG LYS 11 -11.014 4.082 3.034
74 HG3 LYS 11 2HG LYS 11 -10.778 2.526 2.229
75 HD2 LYS 11 1HD LYS 11 -10.624 1.411 4.439
76 HD3 LYS 11 2HD LYS 11 -10.883 2.970 5.236
77 HE2 LYS 11 1HE LYS 11 -13.087 3.166 4.113
78 HE3 LYS 11 2HE LYS 11 -12.831 1.596 3.347
79 HZ1 LYS 11 1HZ LYS 11 -14.170 1.412 5.312
80 HZ2 LYS 11 2HZ LYS 11 -12.745 0.610 5.533
81 HZ3 LYS 11 3HZ LYS 11 -12.985 2.077 6.248
82 H HIS 12 H HIS 12 -7.895 6.034 3.263
83 HA HIS 12 HA HIS 12 -10.039 7.548 1.814
84 HB2 HIS 12 1HB HIS 12 -9.012 7.863 4.658
85 HB3 HIS 12 2HB HIS 12 -10.168 8.937 3.885
86 HD1 HIS 12 HD1 HIS 12 -12.414 7.553 2.920
87 HD2 HIS 12 HD2 HIS 12 -10.271 5.741 6.065
88 HE1 HIS 12 HE1 HIS 12 -13.969 5.999 3.989
89 H SER 13 H SER 13 -6.808 7.191 1.829
90 HA SER 13 HA SER 13 -6.378 9.827 0.680
91 HB2 SER 13 1HB SER 13 -4.721 10.619 2.241
92 HB3 SER 13 2HB SER 13 -6.211 10.307 3.118
93 HG SER 13 HG SER 13 -3.999 9.464 3.814
94 H CYS 14 H CYS 14 -4.285 10.068 -0.283
95 HA CYS 14 HA CYS 14 -2.905 7.445 -0.667
96 HB2 CYS 14 1HB CYS 14 -3.054 9.818 -2.568
97 HB3 CYS 14 2HB CYS 14 -2.181 8.321 -2.867
98 H SER 15 H SER 15 -0.572 7.690 -1.335
99 HA SER 15 HA SER 15 0.771 10.012 -0.100
100 HB2 SER 15 1HB SER 15 0.446 8.483 1.784
101 HB3 SER 15 2HB SER 15 1.155 7.161 0.870
102 HG SER 15 HG SER 15 3.067 8.330 0.767
103 H VAL 16 H VAL 16 2.754 10.440 -0.920
104 HA VAL 16 HA VAL 16 4.034 8.413 -2.660
105 HB VAL 16 HB VAL 16 2.543 9.719 -4.154
106 HG11 VAL 16 1HG1 VAL 16 2.939 12.107 -4.516
107 HG12 VAL 16 2HG1 VAL 16 2.407 11.765 -2.854
108 HG13 VAL 16 3HG1 VAL 16 4.121 12.112 -3.187
109 HG21 VAL 16 1HG2 VAL 16 4.281 10.433 -5.763
110 HG22 VAL 16 2HG2 VAL 16 5.500 10.382 -4.468
111 HG23 VAL 16 3HG2 VAL 16 4.705 8.881 -5.004
112 H ASP 17 H ASP 17 6.208 8.501 -2.659
113 HA ASP 17 HA ASP 17 7.497 10.226 -0.722
114 HB2 ASP 17 1HB ASP 17 8.571 8.238 -2.756
115 HB3 ASP 17 2HB ASP 17 9.610 9.140 -1.662
116 H TRP 18 H TRP 18 8.989 11.853 -1.028
117 HA TRP 18 HA TRP 18 8.434 13.612 -3.218
118 HB2 TRP 18 1HB TRP 18 10.652 13.601 -1.137
119 HB3 TRP 18 2HB TRP 18 10.432 14.894 -2.306
120 HD1 TRP 18 HD1 TRP 18 9.226 13.708 1.038
121 HE1 TRP 18 HE1 TRP 18 7.368 15.267 1.934
122 HE3 TRP 18 HE3 TRP 18 8.311 16.380 -3.242
123 HZ2 TRP 18 HZ2 TRP 18 5.747 17.352 0.935
124 HZ3 TRP 18 HZ3 TRP 18 6.592 18.143 -3.206
125 HH2 TRP 18 HH2 TRP 18 5.329 18.628 -1.152
126 H GLY 19 H GLY 19 9.220 13.714 -5.195
127 HA2 GLY 19 1HA GLY 19 11.056 13.738 -6.761
128 HA3 GLY 19 2HA GLY 19 11.930 12.608 -5.745
129 H LYS 20 H LYS 20 8.973 11.346 -5.583
130 HA LYS 20 HA LYS 20 9.478 9.533 -7.885
131 HB2 LYS 20 1HB LYS 20 7.662 9.160 -5.470
132 HB3 LYS 20 2HB LYS 20 7.983 7.959 -6.714
133 HG2 LYS 20 1HG LYS 20 10.057 9.112 -4.824
134 HG3 LYS 20 2HG LYS 20 9.255 7.544 -4.650
135 HD2 LYS 20 1HD LYS 20 10.175 6.892 -6.899
136 HD3 LYS 20 2HD LYS 20 11.078 8.413 -6.922
137 HE2 LYS 20 1HE LYS 20 12.236 7.755 -4.836
138 HE3 LYS 20 2HE LYS 20 11.338 6.236 -4.815
139 HZ1 LYS 20 1HZ LYS 20 13.511 5.962 -5.761
140 HZ2 LYS 20 2HZ LYS 20 12.363 5.668 -6.910
141 HZ3 LYS 20 3HZ LYS 20 13.203 7.087 -6.928
142 H ALA 21 H ALA 21 7.933 9.006 -9.385
143 HA ALA 21 HA ALA 21 5.890 11.046 -9.826
144 HB1 ALA 21 1HB ALA 21 5.420 9.776 -11.896
145 HB2 ALA 21 2HB ALA 21 7.155 10.130 -11.720
146 HB3 ALA 21 3HB ALA 21 6.538 8.502 -11.359
147 H THR 22 H THR 22 3.671 10.759 -9.939
148 HA THR 22 HA THR 22 2.664 8.916 -7.921
149 HB THR 22 HB THR 22 0.431 9.940 -8.505
150 HG1 THR 22 HG1 THR 22 0.808 11.928 -9.901
151 HG21 THR 22 1HG2 THR 22 0.985 12.183 -7.649
152 HG22 THR 22 2HG2 THR 22 1.882 10.925 -6.765
153 HG23 THR 22 3HG2 THR 22 2.705 11.899 -8.005
154 H THR 23 H THR 23 3.519 7.032 -9.233
155 HA THR 23 HA THR 23 2.151 6.194 -11.597
156 HB THR 23 HB THR 23 3.527 4.514 -9.457
157 HG1 THR 23 HG1 THR 23 4.891 6.046 -10.501
158 HG21 THR 23 1HG2 THR 23 3.702 2.816 -11.233
159 HG22 THR 23 2HG2 THR 23 1.999 3.185 -10.873
160 HG23 THR 23 3HG2 THR 23 2.767 3.858 -12.329
161 H CYS 24 H CYS 24 1.468 5.750 -8.152
162 HA CYS 24 HA CYS 24 -0.610 3.900 -8.246
163 HB2 CYS 24 1HB CYS 24 0.165 4.796 -6.133
164 HB3 CYS 24 2HB CYS 24 -0.341 6.421 -6.571
165 H ILE 25 H ILE 25 -0.914 7.455 -8.610
166 HA ILE 25 HA ILE 25 -3.707 7.437 -9.142
167 HB ILE 25 HB ILE 25 -1.516 9.417 -9.872
168 HG12 ILE 25 1HG1 ILE 25 -3.727 9.587 -7.815
169 HG13 ILE 25 2HG1 ILE 25 -2.096 9.036 -7.463
170 HG21 ILE 25 1HG2 ILE 25 -3.323 11.001 -10.409
171 HG22 ILE 25 2HG2 ILE 25 -3.350 9.603 -11.509
172 HG23 ILE 25 3HG2 ILE 25 -4.527 9.711 -10.180
173 HD11 ILE 25 1HD1 ILE 25 -2.381 11.375 -6.862
174 HD12 ILE 25 2HD1 ILE 25 -1.195 11.207 -8.178
175 HD13 ILE 25 3HD1 ILE 25 -2.847 11.765 -8.534
176 H ILE 26 H ILE 26 -0.896 7.245 -11.310
177 HA ILE 26 HA ILE 26 -2.315 7.308 -13.765
178 HB ILE 26 HB ILE 26 0.297 5.961 -12.980
179 HG12 ILE 26 1HG1 ILE 26 -0.200 8.423 -14.662
180 HG13 ILE 26 2HG1 ILE 26 0.090 8.475 -12.930
181 HG21 ILE 26 1HG2 ILE 26 0.723 5.713 -15.392
182 HG22 ILE 26 2HG2 ILE 26 -0.694 4.762 -14.893
183 HG23 ILE 26 3HG2 ILE 26 -0.916 6.307 -15.747
184 HD11 ILE 26 1HD1 ILE 26 2.130 8.923 -14.175
185 HD12 ILE 26 2HD1 ILE 26 2.280 7.408 -13.252
186 HD13 ILE 26 3HD1 ILE 26 1.987 7.357 -15.006
187 H ASN 27 H ASN 27 -1.379 4.545 -11.704
188 HA ASN 27 HA ASN 27 -2.639 2.556 -13.333
189 HB2 ASN 27 1HB ASN 27 -1.889 2.645 -10.401
190 HB3 ASN 27 2HB ASN 27 -2.645 1.237 -11.135
191 HD21 ASN 27 1HD2 ASN 27 1.069 0.900 -11.177
192 HD22 ASN 27 2HD2 ASN 27 -0.108 1.228 -9.949
193 H ASN 28 H ASN 28 -3.826 4.595 -10.696
194 HA ASN 28 HA ASN 28 -6.395 3.282 -10.531
195 HB2 ASN 28 1HB ASN 28 -5.387 5.985 -9.606
196 HB3 ASN 28 2HB ASN 28 -7.042 5.451 -9.348
197 HD21 ASN 28 1HD2 ASN 28 -5.001 4.649 -6.356
198 HD22 ASN 28 2HD2 ASN 28 -5.366 6.086 -7.254
199 H GLY 29 H GLY 29 -5.067 5.846 -12.516
200 HA2 GLY 29 1HA GLY 29 -7.513 6.848 -13.601
201 HA3 GLY 29 2HA GLY 29 -5.943 6.912 -14.381
202 H ALA 30 H ALA 30 -5.280 4.284 -14.747
203 HA ALA 30 HA ALA 30 -6.891 3.468 -16.953
204 HB1 ALA 30 1HB ALA 30 -5.549 1.392 -16.891
205 HB2 ALA 30 2HB ALA 30 -4.529 2.842 -16.739
206 HB3 ALA 30 3HB ALA 30 -4.906 1.865 -15.301
207 H LEU 31 H LEU 31 -6.739 2.333 -13.581
208 HA LEU 31 HA LEU 31 -8.680 0.274 -13.820
209 HB2 LEU 31 1HB LEU 31 -7.258 0.507 -11.852
210 HB3 LEU 31 2HB LEU 31 -7.985 2.072 -11.472
211 HG LEU 31 HG LEU 31 -10.161 0.922 -11.059
212 HD11 LEU 31 1HD1 LEU 31 -10.179 -1.525 -10.874
213 HD12 LEU 31 2HD1 LEU 31 -9.816 -0.994 -12.533
214 HD13 LEU 31 3HD1 LEU 31 -8.507 -1.584 -11.480
215 HD21 LEU 31 1HD2 LEU 31 -9.453 -0.114 -8.930
216 HD22 LEU 31 2HD2 LEU 31 -7.770 -0.153 -9.507
217 HD23 LEU 31 3HD2 LEU 31 -8.578 1.408 -9.223
218 H ALA 32 H ALA 32 -9.046 3.719 -12.942
219 HA ALA 32 HA ALA 32 -11.851 3.608 -12.498
220 HB1 ALA 32 1HB ALA 32 -11.784 6.065 -12.770
221 HB2 ALA 32 2HB ALA 32 -10.458 5.480 -11.737
222 HB3 ALA 32 3HB ALA 32 -10.135 5.939 -13.424
223 H TRP 33 H TRP 33 -9.963 4.273 -15.432
224 HA TRP 33 HA TRP 33 -12.168 4.925 -17.112
225 HB2 TRP 33 1HB TRP 33 -9.863 5.378 -17.787
226 HB3 TRP 33 2HB TRP 33 -9.476 3.664 -17.764
227 HD1 TRP 33 HD1 TRP 33 -11.457 6.257 -19.822
228 HE1 TRP 33 HE1 TRP 33 -11.858 5.311 -22.195
229 HE3 TRP 33 HE3 TRP 33 -9.653 1.512 -19.093
230 HZ2 TRP 33 HZ2 TRP 33 -11.447 2.871 -23.554
231 HZ3 TRP 33 HZ3 TRP 33 -9.687 -0.080 -20.971
232 HH2 TRP 33 HH2 TRP 33 -10.566 0.583 -23.170
233 H ALA 34 H ALA 34 -10.596 1.812 -16.371
234 HA ALA 34 HA ALA 34 -12.126 0.363 -18.340
235 HB1 ALA 34 1HB ALA 34 -11.178 -1.647 -17.256
236 HB2 ALA 34 2HB ALA 34 -9.929 -0.420 -17.577
237 HB3 ALA 34 3HB ALA 34 -10.565 -0.634 -15.929
238 H THR 35 H THR 35 -12.487 0.942 -14.861
239 HA THR 35 HA THR 35 -14.753 -0.981 -14.814
240 HB THR 35 HB THR 35 -14.527 -0.901 -12.355
241 HG1 THR 35 HG1 THR 35 -12.322 0.850 -12.844
242 HG21 THR 35 1HG2 THR 35 -12.298 -1.935 -12.176
243 HG22 THR 35 2HG2 THR 35 -13.151 -2.510 -13.629
244 HG23 THR 35 3HG2 THR 35 -11.865 -1.290 -13.776
245 H GLY 36 H GLY 36 -14.063 2.371 -14.839
246 HA2 GLY 36 1HA GLY 36 -15.594 4.155 -14.879
247 HA3 GLY 36 2HA GLY 36 -16.892 3.049 -14.473
248 H GLY 37 H GLY 37 -13.792 3.687 -12.800
249 HA2 GLY 37 1HA GLY 37 -15.343 3.997 -10.271
250 HA3 GLY 37 2HA GLY 37 -13.657 3.528 -10.390
251 H HIS 38 H HIS 38 -12.563 5.076 -9.321
252 HA HIS 38 HA HIS 38 -13.131 7.932 -10.037
253 HB2 HIS 38 1HB HIS 38 -12.369 6.821 -7.311
254 HB3 HIS 38 2HB HIS 38 -12.538 8.525 -7.709
255 HD2 HIS 38 HD2 HIS 38 -14.724 5.533 -6.654
256 HE1 HIS 38 HE1 HIS 38 -17.340 8.766 -7.583
257 HE2 HIS 38 HE2 HIS 38 -17.162 6.440 -6.555
258 H GLN 39 H GLN 39 -11.505 8.953 -10.922
259 HA GLN 39 HA GLN 39 -9.016 7.599 -11.356
260 HB2 GLN 39 1HB GLN 39 -9.991 9.232 -12.956
261 HB3 GLN 39 2HB GLN 39 -9.733 10.527 -11.794
262 HG2 GLN 39 1HG GLN 39 -7.320 10.201 -11.918
263 HG3 GLN 39 2HG GLN 39 -7.557 8.843 -13.054
264 HE21 GLN 39 1HE2 GLN 39 -6.706 11.700 -15.159
265 HE22 GLN 39 2HE2 GLN 39 -5.941 10.651 -14.013
266 H GLY 40 H GLY 40 -7.590 7.217 -9.816
267 HA2 GLY 40 1HA GLY 40 -5.736 7.870 -8.525
268 HA3 GLY 40 2HA GLY 40 -6.278 9.536 -8.590
269 H ASN 41 H ASN 41 -8.616 7.132 -7.699
270 HA ASN 41 HA ASN 41 -8.243 7.782 -4.812
271 HB2 ASN 41 1HB ASN 41 -10.843 7.901 -6.375
272 HB3 ASN 41 2HB ASN 41 -10.737 7.947 -4.620
273 HD21 ASN 41 1HD2 ASN 41 -10.174 11.264 -6.811
274 HD22 ASN 41 2HD2 ASN 41 -10.654 9.742 -7.484
275 H HIS 42 H HIS 42 -7.268 5.493 -5.901
276 HA HIS 42 HA HIS 42 -9.029 3.524 -4.514
277 HB2 HIS 42 1HB HIS 42 -7.651 3.067 -7.185
278 HB3 HIS 42 2HB HIS 42 -8.406 1.810 -6.216
279 HD1 HIS 42 HD1 HIS 42 -11.089 2.241 -5.731
280 HD2 HIS 42 HD2 HIS 42 -9.452 4.349 -8.992
281 HE1 HIS 42 HE1 HIS 42 -12.979 2.855 -7.154
282 H LYS 43 H LYS 43 -7.972 1.783 -3.545
283 HA LYS 43 HA LYS 43 -5.506 2.519 -2.318
284 HB2 LYS 43 1HB LYS 43 -7.196 1.006 -1.287
285 HB3 LYS 43 2HB LYS 43 -6.811 -0.228 -2.479
286 HG2 LYS 43 1HG LYS 43 -4.525 -0.393 -1.611
287 HG3 LYS 43 2HG LYS 43 -4.861 0.896 -0.447
288 HD2 LYS 43 1HD LYS 43 -6.636 -0.496 0.578
289 HD3 LYS 43 2HD LYS 43 -6.288 -1.786 -0.583
290 HE2 LYS 43 1HE LYS 43 -3.980 -1.951 0.289
291 HE3 LYS 43 2HE LYS 43 -4.320 -0.660 1.444
292 HZ1 LYS 43 1HZ LYS 43 -4.534 -2.815 2.442
293 HZ2 LYS 43 2HZ LYS 43 -6.002 -2.062 2.427
294 HZ3 LYS 43 3HZ LYS 43 -5.682 -3.268 1.348
295 H CYS 44 H CYS 44 -3.448 2.206 -2.798
296 HA CYS 44 HA CYS 44 -2.841 0.411 -5.111
297 HB2 CYS 44 1HB CYS 44 -1.424 2.945 -4.200
298 HB3 CYS 44 2HB CYS 44 -0.816 1.865 -5.447
Start of MODEL 9
1 H1 LYS 1 1H LYS 1 1.884 -0.036 -2.166
2 H2 LYS 1 2H LYS 1 3.376 0.187 -1.542
3 H3 LYS 1 3H LYS 1 2.749 1.287 -2.571
4 HA LYS 1 HA LYS 1 3.458 -1.464 -3.208
5 HB2 LYS 1 1HB LYS 1 1.491 -0.660 -4.479
6 HB3 LYS 1 2HB LYS 1 2.385 0.768 -4.980
7 HG2 LYS 1 1HG LYS 1 2.372 -0.788 -6.797
8 HG3 LYS 1 2HG LYS 1 4.018 -0.723 -6.152
9 HD2 LYS 1 1HD LYS 1 3.646 -2.798 -4.900
10 HD3 LYS 1 2HD LYS 1 1.961 -2.846 -5.438
11 HE2 LYS 1 1HE LYS 1 2.704 -3.053 -7.780
12 HE3 LYS 1 2HE LYS 1 4.390 -2.974 -7.264
13 HZ1 LYS 1 1HZ LYS 1 3.679 -5.224 -7.611
14 HZ2 LYS 1 2HZ LYS 1 4.043 -4.994 -6.018
15 HZ3 LYS 1 3HZ LYS 1 2.468 -5.070 -6.502
16 H TYR 2 H TYR 2 4.059 1.956 -4.109
17 HA TYR 2 HA TYR 2 6.920 1.193 -4.506
18 HB2 TYR 2 1HB TYR 2 5.367 3.486 -5.775
19 HB3 TYR 2 2HB TYR 2 7.057 3.099 -6.071
20 HD1 TYR 2 HD1 TYR 2 3.744 2.647 -7.190
21 HD2 TYR 2 HD2 TYR 2 7.533 0.653 -6.922
22 HE1 TYR 2 HE1 TYR 2 3.077 1.134 -9.026
23 HE2 TYR 2 HE2 TYR 2 6.867 -0.860 -8.758
24 HH TYR 2 HH TYR 2 5.293 -1.393 -10.224
25 H TYR 3 H TYR 3 5.957 1.737 -1.937
26 HA TYR 3 HA TYR 3 6.094 4.420 -1.103
27 HB2 TYR 3 1HB TYR 3 5.340 2.579 0.356
28 HB3 TYR 3 2HB TYR 3 6.968 1.915 0.393
29 HD1 TYR 3 HD1 TYR 3 4.901 4.835 1.387
30 HD2 TYR 3 HD2 TYR 3 8.601 2.723 1.896
31 HE1 TYR 3 HE1 TYR 3 5.426 6.228 3.359
32 HE2 TYR 3 HE2 TYR 3 9.125 4.117 3.868
33 HH TYR 3 HH TYR 3 6.890 6.653 4.975
34 H GLY 4 H GLY 4 8.710 2.077 -1.613
35 HA2 GLY 4 1HA GLY 4 10.790 3.674 -0.448
36 HA3 GLY 4 2HA GLY 4 11.018 2.329 -1.550
37 H ASN 5 H ASN 5 9.084 3.854 -3.450
38 HA ASN 5 HA ASN 5 11.224 5.520 -4.671
39 HB2 ASN 5 1HB ASN 5 8.677 4.331 -5.814
40 HB3 ASN 5 2HB ASN 5 9.740 5.412 -6.704
41 HD21 ASN 5 1HD2 ASN 5 10.471 1.673 -7.132
42 HD22 ASN 5 2HD2 ASN 5 8.961 2.506 -6.978
43 H GLY 6 H GLY 6 8.816 5.993 -2.561
44 HA2 GLY 6 1HA GLY 6 7.985 8.035 -1.776
45 HA3 GLY 6 2HA GLY 6 8.736 8.850 -3.135
46 H VAL 7 H VAL 7 6.679 6.072 -3.676
47 HA VAL 7 HA VAL 7 4.484 7.885 -4.573
48 HB VAL 7 HB VAL 7 5.529 5.444 -6.073
49 HG11 VAL 7 1HG1 VAL 7 3.948 6.111 -7.818
50 HG12 VAL 7 2HG1 VAL 7 3.125 5.706 -6.293
51 HG13 VAL 7 3HG1 VAL 7 3.336 7.410 -6.766
52 HG21 VAL 7 1HG2 VAL 7 6.227 7.095 -7.781
53 HG22 VAL 7 2HG2 VAL 7 5.686 8.418 -6.720
54 HG23 VAL 7 3HG2 VAL 7 7.050 7.385 -6.231
55 H THR 8 H THR 8 2.971 7.474 -3.072
56 HA THR 8 HA THR 8 1.754 4.804 -3.165
57 HB THR 8 HB THR 8 3.383 4.567 -1.302
58 HG1 THR 8 HG1 THR 8 1.062 3.755 -1.290
59 HG21 THR 8 1HG2 THR 8 3.079 5.905 0.743
60 HG22 THR 8 2HG2 THR 8 3.497 6.944 -0.639
61 HG23 THR 8 3HG2 THR 8 1.816 6.862 -0.064
62 H CYS 9 H CYS 9 -0.400 4.759 -2.570
63 HA CYS 9 HA CYS 9 -1.596 7.476 -2.214
64 HB2 CYS 9 1HB CYS 9 -2.679 5.076 -3.740
65 HB3 CYS 9 2HB CYS 9 -3.578 6.557 -3.446
66 H GLY 10 H GLY 10 -3.363 7.719 -0.867
67 HA2 GLY 10 1HA GLY 10 -3.746 5.487 1.081
68 HA3 GLY 10 2HA GLY 10 -4.033 7.185 1.411
69 H LYS 11 H LYS 11 -6.156 7.246 1.926
70 HA LYS 11 HA LYS 11 -8.073 5.697 0.278
71 HB2 LYS 11 1HB LYS 11 -8.186 5.519 2.759
72 HB3 LYS 11 2HB LYS 11 -8.496 7.246 2.866
73 HG2 LYS 11 1HG LYS 11 -10.612 6.977 1.674
74 HG3 LYS 11 2HG LYS 11 -10.293 5.250 1.459
75 HD2 LYS 11 1HD LYS 11 -10.262 4.958 3.923
76 HD3 LYS 11 2HD LYS 11 -10.609 6.681 4.124
77 HE2 LYS 11 1HE LYS 11 -12.735 6.386 2.876
78 HE3 LYS 11 2HE LYS 11 -12.393 4.662 2.712
79 HZ1 LYS 11 1HZ LYS 11 -13.858 5.101 4.543
80 HZ2 LYS 11 2HZ LYS 11 -12.434 4.486 5.105
81 HZ3 LYS 11 3HZ LYS 11 -12.755 6.096 5.259
82 H HIS 12 H HIS 12 -7.834 9.009 1.635
83 HA HIS 12 HA HIS 12 -9.661 9.908 -0.559
84 HB2 HIS 12 1HB HIS 12 -9.040 11.172 2.136
85 HB3 HIS 12 2HB HIS 12 -10.076 11.882 0.907
86 HD1 HIS 12 HD1 HIS 12 -12.182 10.189 0.177
87 HD2 HIS 12 HD2 HIS 12 -10.474 9.547 3.976
88 HE1 HIS 12 HE1 HIS 12 -13.870 9.000 1.482
89 H SER 13 H SER 13 -6.539 9.570 -0.276
90 HA SER 13 HA SER 13 -5.939 11.774 -2.043
91 HB2 SER 13 1HB SER 13 -4.411 13.012 -0.666
92 HB3 SER 13 2HB SER 13 -5.953 12.936 0.174
93 HG SER 13 HG SER 13 -3.985 12.460 1.374
94 H CYS 14 H CYS 14 -3.493 11.899 -2.439
95 HA CYS 14 HA CYS 14 -2.187 9.274 -1.958
96 HB2 CYS 14 1HB CYS 14 -3.304 9.156 -4.183
97 HB3 CYS 14 2HB CYS 14 -2.416 10.585 -4.695
98 H SER 15 H SER 15 -0.036 9.373 -1.636
99 HA SER 15 HA SER 15 1.110 12.128 -1.627
100 HB2 SER 15 1HB SER 15 0.947 11.094 0.577
101 HB3 SER 15 2HB SER 15 1.801 9.668 0.009
102 HG SER 15 HG SER 15 3.477 11.269 -0.603
103 H VAL 16 H VAL 16 2.212 12.451 -3.449
104 HA VAL 16 HA VAL 16 4.296 10.414 -4.117
105 HB VAL 16 HB VAL 16 2.869 12.350 -5.992
106 HG11 VAL 16 1HG1 VAL 16 4.123 11.241 -7.776
107 HG12 VAL 16 2HG1 VAL 16 5.197 12.063 -6.618
108 HG13 VAL 16 3HG1 VAL 16 5.013 10.294 -6.560
109 HG21 VAL 16 1HG2 VAL 16 1.966 10.283 -7.010
110 HG22 VAL 16 2HG2 VAL 16 2.789 9.313 -5.765
111 HG23 VAL 16 3HG2 VAL 16 1.479 10.426 -5.305
112 H ASP 17 H ASP 17 6.323 11.044 -3.888
113 HA ASP 17 HA ASP 17 6.966 13.678 -2.951
114 HB2 ASP 17 1HB ASP 17 8.684 11.372 -3.935
115 HB3 ASP 17 2HB ASP 17 9.368 12.880 -3.344
116 H TRP 18 H TRP 18 8.043 15.374 -3.902
117 HA TRP 18 HA TRP 18 7.401 15.892 -6.635
118 HB2 TRP 18 1HB TRP 18 9.338 17.250 -4.724
119 HB3 TRP 18 2HB TRP 18 8.977 17.863 -6.331
120 HD1 TRP 18 HD1 TRP 18 7.705 17.904 -2.807
121 HE1 TRP 18 HE1 TRP 18 5.475 19.207 -2.666
122 HE3 TRP 18 HE3 TRP 18 6.697 18.285 -7.822
123 HZ2 TRP 18 HZ2 TRP 18 3.564 20.251 -4.463
124 HZ3 TRP 18 HZ3 TRP 18 4.650 19.447 -8.545
125 HH2 TRP 18 HH2 TRP 18 3.104 20.420 -6.896
126 H GLY 19 H GLY 19 8.378 15.418 -8.473
127 HA2 GLY 19 1HA GLY 19 10.354 15.176 -9.852
128 HA3 GLY 19 2HA GLY 19 11.269 14.691 -8.436
129 H LYS 20 H LYS 20 8.614 13.069 -7.805
130 HA LYS 20 HA LYS 20 9.521 10.654 -9.280
131 HB2 LYS 20 1HB LYS 20 7.620 10.882 -6.912
132 HB3 LYS 20 2HB LYS 20 8.240 9.390 -7.605
133 HG2 LYS 20 1HG LYS 20 9.920 11.527 -6.260
134 HG3 LYS 20 2HG LYS 20 9.397 10.002 -5.529
135 HD2 LYS 20 1HD LYS 20 10.609 8.766 -7.337
136 HD3 LYS 20 2HD LYS 20 11.202 10.315 -7.955
137 HE2 LYS 20 1HE LYS 20 12.268 10.755 -5.741
138 HE3 LYS 20 2HE LYS 20 11.738 9.163 -5.193
139 HZ1 LYS 20 1HZ LYS 20 13.991 9.122 -5.973
140 HZ2 LYS 20 2HZ LYS 20 13.048 8.186 -6.950
141 HZ3 LYS 20 3HZ LYS 20 13.545 9.674 -7.461
142 H ALA 21 H ALA 21 8.140 9.322 -10.420
143 HA ALA 21 HA ALA 21 5.981 10.722 -11.761
144 HB1 ALA 21 1HB ALA 21 5.723 8.612 -13.027
145 HB2 ALA 21 2HB ALA 21 7.420 9.148 -12.976
146 HB3 ALA 21 3HB ALA 21 6.874 7.821 -11.926
147 H THR 22 H THR 22 3.832 10.535 -11.567
148 HA THR 22 HA THR 22 2.833 9.382 -9.083
149 HB THR 22 HB THR 22 0.615 10.232 -9.882
150 HG1 THR 22 HG1 THR 22 0.652 11.461 -11.846
151 HG21 THR 22 1HG2 THR 22 1.211 12.621 -9.821
152 HG22 THR 22 2HG2 THR 22 2.142 11.703 -8.614
153 HG23 THR 22 3HG2 THR 22 2.912 12.210 -10.134
154 H THR 23 H THR 23 3.618 7.173 -9.735
155 HA THR 23 HA THR 23 2.463 5.874 -12.020
156 HB THR 23 HB THR 23 3.803 4.683 -9.553
157 HG1 THR 23 HG1 THR 23 5.283 5.901 -10.649
158 HG21 THR 23 1HG2 THR 23 4.140 2.697 -10.970
159 HG22 THR 23 2HG2 THR 23 2.407 3.033 -10.748
160 HG23 THR 23 3HG2 THR 23 3.208 3.464 -12.277
161 H CYS 24 H CYS 24 1.711 5.774 -8.539
162 HA CYS 24 HA CYS 24 -0.280 3.730 -8.756
163 HB2 CYS 24 1HB CYS 24 0.238 5.884 -6.681
164 HB3 CYS 24 2HB CYS 24 -1.065 4.715 -6.517
165 H ILE 25 H ILE 25 -0.433 7.278 -8.872
166 HA ILE 25 HA ILE 25 -3.289 7.461 -8.930
167 HB ILE 25 HB ILE 25 -1.108 9.337 -9.923
168 HG12 ILE 25 1HG1 ILE 25 -2.939 9.556 -7.527
169 HG13 ILE 25 2HG1 ILE 25 -1.326 8.865 -7.462
170 HG21 ILE 25 1HG2 ILE 25 -2.869 11.048 -10.093
171 HG22 ILE 25 2HG2 ILE 25 -3.168 9.709 -11.225
172 HG23 ILE 25 3HG2 ILE 25 -4.103 9.821 -9.715
173 HD11 ILE 25 1HD1 ILE 25 -1.316 11.186 -6.739
174 HD12 ILE 25 2HD1 ILE 25 -0.370 10.992 -8.235
175 HD13 ILE 25 3HD1 ILE 25 -2.004 11.694 -8.299
176 H ILE 26 H ILE 26 -0.836 7.290 -11.513
177 HA ILE 26 HA ILE 26 -2.625 7.426 -13.713
178 HB ILE 26 HB ILE 26 0.066 6.052 -13.372
179 HG12 ILE 26 1HG1 ILE 26 -0.672 8.527 -14.941
180 HG13 ILE 26 2HG1 ILE 26 -0.129 8.571 -13.271
181 HG21 ILE 26 1HG2 ILE 26 0.104 5.827 -15.823
182 HG22 ILE 26 2HG2 ILE 26 -1.220 4.874 -15.114
183 HG23 ILE 26 3HG2 ILE 26 -1.568 6.428 -15.909
184 HD11 ILE 26 1HD1 ILE 26 1.705 9.020 -14.801
185 HD12 ILE 26 2HD1 ILE 26 1.985 7.501 -13.917
186 HD13 ILE 26 3HD1 ILE 26 1.436 7.458 -15.609
187 H ASN 27 H ASN 27 -1.482 4.641 -11.806
188 HA ASN 27 HA ASN 27 -2.872 2.649 -13.305
189 HB2 ASN 27 1HB ASN 27 -1.917 2.763 -10.434
190 HB3 ASN 27 2HB ASN 27 -2.720 1.349 -11.101
191 HD21 ASN 27 1HD2 ASN 27 0.975 0.996 -11.402
192 HD22 ASN 27 2HD2 ASN 27 -0.118 1.322 -10.098
193 H ASN 28 H ASN 28 -3.856 4.635 -10.531
194 HA ASN 28 HA ASN 28 -6.437 3.432 -10.218
195 HB2 ASN 28 1HB ASN 28 -5.325 6.153 -9.500
196 HB3 ASN 28 2HB ASN 28 -6.991 5.705 -9.162
197 HD21 ASN 28 1HD2 ASN 28 -4.884 4.996 -6.191
198 HD22 ASN 28 2HD2 ASN 28 -5.213 6.391 -7.164
199 H GLY 29 H GLY 29 -5.247 6.062 -12.267
200 HA2 GLY 29 1HA GLY 29 -7.785 6.850 -13.336
201 HA3 GLY 29 2HA GLY 29 -6.225 7.099 -14.099
202 H ALA 30 H ALA 30 -5.378 4.407 -14.330
203 HA ALA 30 HA ALA 30 -6.726 3.556 -16.691
204 HB1 ALA 30 1HB ALA 30 -5.376 1.497 -16.466
205 HB2 ALA 30 2HB ALA 30 -4.395 2.959 -16.210
206 HB3 ALA 30 3HB ALA 30 -4.921 1.986 -14.818
207 H LEU 31 H LEU 31 -6.999 2.526 -13.304
208 HA LEU 31 HA LEU 31 -8.886 0.427 -13.778
209 HB2 LEU 31 1HB LEU 31 -8.348 2.172 -11.352
210 HB3 LEU 31 2HB LEU 31 -9.481 0.815 -11.343
211 HG LEU 31 HG LEU 31 -6.514 0.564 -11.950
212 HD11 LEU 31 1HD1 LEU 31 -6.348 -0.363 -9.682
213 HD12 LEU 31 2HD1 LEU 31 -6.887 1.332 -9.662
214 HD13 LEU 31 3HD1 LEU 31 -8.061 0.021 -9.400
215 HD21 LEU 31 1HD2 LEU 31 -6.970 -1.842 -11.613
216 HD22 LEU 31 2HD2 LEU 31 -8.695 -1.480 -11.357
217 HD23 LEU 31 3HD2 LEU 31 -7.949 -1.185 -12.947
218 H ALA 32 H ALA 32 -9.251 3.902 -13.121
219 HA ALA 32 HA ALA 32 -12.100 3.912 -13.018
220 HB1 ALA 32 1HB ALA 32 -11.896 6.327 -13.514
221 HB2 ALA 32 2HB ALA 32 -10.742 5.812 -12.261
222 HB3 ALA 32 3HB ALA 32 -10.182 6.089 -13.926
223 H TRP 33 H TRP 33 -9.819 4.217 -15.725
224 HA TRP 33 HA TRP 33 -11.803 4.599 -17.752
225 HB2 TRP 33 1HB TRP 33 -9.446 5.054 -18.191
226 HB3 TRP 33 2HB TRP 33 -9.017 3.379 -17.871
227 HD1 TRP 33 HD1 TRP 33 -10.768 5.570 -20.520
228 HE1 TRP 33 HE1 TRP 33 -10.823 4.285 -22.764
229 HE3 TRP 33 HE3 TRP 33 -8.968 1.054 -18.887
230 HZ2 TRP 33 HZ2 TRP 33 -10.178 1.697 -23.691
231 HZ3 TRP 33 HZ3 TRP 33 -8.713 -0.786 -20.503
232 HH2 TRP 33 HH2 TRP 33 -9.304 -0.475 -22.869
233 H ALA 34 H ALA 34 -10.357 1.693 -16.303
234 HA ALA 34 HA ALA 34 -11.452 -0.074 -18.310
235 HB1 ALA 34 1HB ALA 34 -10.656 -1.878 -16.814
236 HB2 ALA 34 2HB ALA 34 -9.407 -0.639 -17.076
237 HB3 ALA 34 3HB ALA 34 -10.321 -0.672 -15.551
238 H THR 35 H THR 35 -12.205 0.314 -14.822
239 HA THR 35 HA THR 35 -14.839 -0.971 -15.415
240 HB THR 35 HB THR 35 -14.776 -1.913 -13.128
241 HG1 THR 35 HG1 THR 35 -13.399 -0.288 -12.210
242 HG21 THR 35 1HG2 THR 35 -12.974 -3.555 -13.483
243 HG22 THR 35 2HG2 THR 35 -13.855 -3.241 -14.997
244 HG23 THR 35 3HG2 THR 35 -12.258 -2.506 -14.729
245 H GLY 36 H GLY 36 -13.136 1.662 -13.918
246 HA2 GLY 36 1HA GLY 36 -14.442 3.747 -13.597
247 HA3 GLY 36 2HA GLY 36 -15.758 2.767 -12.977
248 H GLY 37 H GLY 37 -14.157 5.004 -11.775
249 HA2 GLY 37 1HA GLY 37 -14.027 4.239 -9.094
250 HA3 GLY 37 2HA GLY 37 -12.438 3.860 -9.732
251 H HIS 38 H HIS 38 -11.805 5.521 -8.105
252 HA HIS 38 HA HIS 38 -12.147 8.298 -9.184
253 HB2 HIS 38 1HB HIS 38 -11.684 7.417 -6.311
254 HB3 HIS 38 2HB HIS 38 -11.759 9.083 -6.867
255 HD2 HIS 38 HD2 HIS 38 -14.124 6.285 -5.721
256 HE1 HIS 38 HE1 HIS 38 -16.547 9.420 -7.291
257 HE2 HIS 38 HE2 HIS 38 -16.534 7.233 -5.977
258 H GLN 39 H GLN 39 -10.409 8.726 -10.358
259 HA GLN 39 HA GLN 39 -7.874 7.510 -10.036
260 HB2 GLN 39 1HB GLN 39 -8.609 8.672 -12.103
261 HB3 GLN 39 2HB GLN 39 -8.541 10.215 -11.266
262 HG2 GLN 39 1HG GLN 39 -6.133 9.980 -10.961
263 HG3 GLN 39 2HG GLN 39 -6.184 8.382 -11.757
264 HE21 GLN 39 1HE2 GLN 39 -5.076 10.482 -14.453
265 HE22 GLN 39 2HE2 GLN 39 -4.491 9.640 -13.056
266 H GLY 40 H GLY 40 -6.482 7.633 -8.445
267 HA2 GLY 40 1HA GLY 40 -4.840 8.796 -7.186
268 HA3 GLY 40 2HA GLY 40 -5.713 10.297 -7.428
269 H ASN 41 H ASN 41 -7.867 7.847 -6.575
270 HA ASN 41 HA ASN 41 -7.648 8.504 -3.671
271 HB2 ASN 41 1HB ASN 41 -10.164 8.540 -5.369
272 HB3 ASN 41 2HB ASN 41 -10.154 8.595 -3.612
273 HD21 ASN 41 1HD2 ASN 41 -9.578 11.922 -5.778
274 HD22 ASN 41 2HD2 ASN 41 -9.984 10.386 -6.469
275 H HIS 42 H HIS 42 -6.636 6.200 -4.930
276 HA HIS 42 HA HIS 42 -8.199 4.271 -3.280
277 HB2 HIS 42 1HB HIS 42 -7.110 3.677 -6.057
278 HB3 HIS 42 2HB HIS 42 -7.775 2.484 -4.951
279 HD1 HIS 42 HD1 HIS 42 -10.395 2.993 -4.220
280 HD2 HIS 42 HD2 HIS 42 -9.070 4.859 -7.759
281 HE1 HIS 42 HE1 HIS 42 -12.410 3.547 -5.486
282 H LYS 43 H LYS 43 -7.017 2.750 -2.201
283 HA LYS 43 HA LYS 43 -4.430 3.651 -1.411
284 HB2 LYS 43 1HB LYS 43 -5.863 1.010 -0.936
285 HB3 LYS 43 2HB LYS 43 -4.336 1.440 -0.177
286 HG2 LYS 43 1HG LYS 43 -5.426 3.392 0.890
287 HG3 LYS 43 2HG LYS 43 -6.961 2.921 0.148
288 HD2 LYS 43 1HD LYS 43 -6.865 0.747 1.331
289 HD3 LYS 43 2HD LYS 43 -5.333 1.225 2.078
290 HE2 LYS 43 1HE LYS 43 -6.461 3.136 3.171
291 HE3 LYS 43 2HE LYS 43 -7.989 2.668 2.422
292 HZ1 LYS 43 1HZ LYS 43 -7.823 1.868 4.663
293 HZ2 LYS 43 2HZ LYS 43 -7.872 0.591 3.619
294 HZ3 LYS 43 3HZ LYS 43 -6.444 1.030 4.319
295 H CYS 44 H CYS 44 -2.418 3.156 -1.985
296 HA CYS 44 HA CYS 44 -1.985 0.868 -3.825
297 HB2 CYS 44 1HB CYS 44 -2.318 2.838 -5.278
298 HB3 CYS 44 2HB CYS 44 -1.075 3.716 -4.399
Start of MODEL 10
1 H1 LYS 1 1H LYS 1 -1.561 10.639 5.180
2 H2 LYS 1 2H LYS 1 -3.049 10.024 5.450
3 H3 LYS 1 3H LYS 1 -1.729 9.093 5.677
4 HA LYS 1 HA LYS 1 -2.665 10.170 3.139
5 HB2 LYS 1 1HB LYS 1 -0.332 8.306 3.735
6 HB3 LYS 1 2HB LYS 1 -0.869 8.802 2.136
7 HG2 LYS 1 1HG LYS 1 0.220 10.665 4.268
8 HG3 LYS 1 2HG LYS 1 1.126 10.031 2.886
9 HD2 LYS 1 1HD LYS 1 -0.572 11.100 1.364
10 HD3 LYS 1 2HD LYS 1 -1.315 11.840 2.791
11 HE2 LYS 1 1HE LYS 1 0.862 12.939 3.317
12 HE3 LYS 1 2HE LYS 1 1.544 12.253 1.839
13 HZ1 LYS 1 1HZ LYS 1 0.796 14.495 1.509
14 HZ2 LYS 1 2HZ LYS 1 -0.105 13.467 0.586
15 HZ3 LYS 1 3HZ LYS 1 -0.740 14.109 1.967
16 H TYR 2 H TYR 2 -3.351 8.532 1.628
17 HA TYR 2 HA TYR 2 -5.156 6.670 2.916
18 HB2 TYR 2 1HB TYR 2 -5.624 7.893 0.752
19 HB3 TYR 2 2HB TYR 2 -4.428 6.870 -0.032
20 HD1 TYR 2 HD1 TYR 2 -7.797 7.062 1.352
21 HD2 TYR 2 HD2 TYR 2 -4.830 4.460 -0.332
22 HE1 TYR 2 HE1 TYR 2 -9.531 5.349 0.941
23 HE2 TYR 2 HE2 TYR 2 -6.564 2.747 -0.743
24 HH TYR 2 HH TYR 2 -9.968 3.337 0.106
25 H TYR 3 H TYR 3 -2.149 6.345 1.044
26 HA TYR 3 HA TYR 3 -2.234 3.412 1.529
27 HB2 TYR 3 1HB TYR 3 -0.449 5.058 -0.310
28 HB3 TYR 3 2HB TYR 3 -0.425 3.306 -0.169
29 HD1 TYR 3 HD1 TYR 3 -2.164 6.200 -1.540
30 HD2 TYR 3 HD2 TYR 3 -2.311 1.947 -0.990
31 HE1 TYR 3 HE1 TYR 3 -3.909 6.035 -3.283
32 HE2 TYR 3 HE2 TYR 3 -4.056 1.782 -2.734
33 HH TYR 3 HH TYR 3 -5.559 4.617 -4.105
34 H GLY 4 H GLY 4 -0.582 6.318 2.450
35 HA2 GLY 4 1HA GLY 4 0.735 6.489 4.427
36 HA3 GLY 4 2HA GLY 4 0.991 4.754 4.411
37 H ASN 5 H ASN 5 1.401 5.904 1.293
38 HA ASN 5 HA ASN 5 4.362 6.014 1.679
39 HB2 ASN 5 1HB ASN 5 2.704 5.095 -0.689
40 HB3 ASN 5 2HB ASN 5 4.446 5.320 -0.743
41 HD21 ASN 5 1HD2 ASN 5 3.076 1.829 0.349
42 HD22 ASN 5 2HD2 ASN 5 2.285 3.006 -0.645
43 H GLY 6 H GLY 6 2.434 8.243 1.914
44 HA2 GLY 6 1HA GLY 6 2.723 10.532 1.413
45 HA3 GLY 6 2HA GLY 6 3.831 10.109 0.120
46 H VAL 7 H VAL 7 0.988 8.233 0.052
47 HA VAL 7 HA VAL 7 -0.106 9.975 -2.118
48 HB VAL 7 HB VAL 7 -0.198 6.935 -1.917
49 HG11 VAL 7 1HG1 VAL 7 -1.086 7.032 -4.194
50 HG12 VAL 7 2HG1 VAL 7 -2.150 7.854 -3.028
51 HG13 VAL 7 3HG1 VAL 7 -1.107 8.809 -4.109
52 HG21 VAL 7 1HG2 VAL 7 1.368 7.000 -3.831
53 HG22 VAL 7 2HG2 VAL 7 1.421 8.776 -3.726
54 HG23 VAL 7 3HG2 VAL 7 2.071 7.785 -2.399
55 H THR 8 H THR 8 -2.164 10.588 -1.989
56 HA THR 8 HA THR 8 -4.028 9.004 -0.310
57 HB THR 8 HB THR 8 -3.175 10.829 1.152
58 HG1 THR 8 HG1 THR 8 -5.838 11.437 0.363
59 HG21 THR 8 1HG2 THR 8 -3.738 13.164 0.609
60 HG22 THR 8 2HG2 THR 8 -2.650 12.470 -0.618
61 HG23 THR 8 3HG2 THR 8 -4.386 12.647 -0.965
62 H CYS 9 H CYS 9 -6.189 9.150 -0.872
63 HA CYS 9 HA CYS 9 -6.621 10.393 -3.557
64 HB2 CYS 9 1HB CYS 9 -7.676 7.783 -2.413
65 HB3 CYS 9 2HB CYS 9 -8.320 8.525 -3.870
66 H GLY 10 H GLY 10 -8.541 11.421 -3.979
67 HA2 GLY 10 1HA GLY 10 -10.246 12.002 -1.600
68 HA3 GLY 10 2HA GLY 10 -10.139 12.989 -3.046
69 H LYS 11 H LYS 11 -12.069 12.979 -4.014
70 HA LYS 11 HA LYS 11 -13.716 10.518 -3.926
71 HB2 LYS 11 1HB LYS 11 -14.721 12.714 -3.279
72 HB3 LYS 11 2HB LYS 11 -14.423 13.313 -4.905
73 HG2 LYS 11 1HG LYS 11 -15.958 11.677 -5.844
74 HG3 LYS 11 2HG LYS 11 -16.185 10.933 -4.254
75 HD2 LYS 11 1HD LYS 11 -17.122 13.069 -3.402
76 HD3 LYS 11 2HD LYS 11 -16.919 13.788 -5.005
77 HE2 LYS 11 1HE LYS 11 -18.437 12.071 -5.956
78 HE3 LYS 11 2HE LYS 11 -18.657 11.382 -4.347
79 HZ1 LYS 11 1HZ LYS 11 -20.435 12.863 -4.923
80 HZ2 LYS 11 2HZ LYS 11 -19.594 13.475 -3.643
81 HZ3 LYS 11 3HZ LYS 11 -19.390 14.118 -5.148
82 H HIS 12 H HIS 12 -12.473 12.870 -6.318
83 HA HIS 12 HA HIS 12 -13.221 10.907 -8.456
84 HB2 HIS 12 1HB HIS 12 -13.096 13.942 -8.573
85 HB3 HIS 12 2HB HIS 12 -13.381 12.895 -9.956
86 HD1 HIS 12 HD1 HIS 12 -15.594 11.237 -9.620
87 HD2 HIS 12 HD2 HIS 12 -15.493 14.723 -7.254
88 HE1 HIS 12 HE1 HIS 12 -17.906 11.667 -8.954
89 H SER 13 H SER 13 -10.641 12.132 -6.792
90 HA SER 13 HA SER 13 -8.760 11.404 -8.916
91 HB2 SER 13 1HB SER 13 -7.631 13.529 -9.033
92 HB3 SER 13 2HB SER 13 -9.325 13.777 -9.428
93 HG SER 13 HG SER 13 -7.844 14.654 -7.322
94 H CYS 14 H CYS 14 -6.552 11.316 -8.188
95 HA CYS 14 HA CYS 14 -6.326 11.263 -5.208
96 HB2 CYS 14 1HB CYS 14 -4.770 9.677 -7.289
97 HB3 CYS 14 2HB CYS 14 -4.461 9.644 -5.558
98 H SER 15 H SER 15 -4.063 11.631 -4.408
99 HA SER 15 HA SER 15 -2.530 13.532 -6.080
100 HB2 SER 15 1HB SER 15 -4.178 14.933 -4.921
101 HB3 SER 15 2HB SER 15 -3.713 14.243 -3.376
102 HG SER 15 HG SER 15 -1.779 15.174 -3.508
103 H VAL 16 H VAL 16 -0.411 13.927 -5.354
104 HA VAL 16 HA VAL 16 0.527 12.165 -3.147
105 HB VAL 16 HB VAL 16 0.786 10.942 -5.317
106 HG11 VAL 16 1HG1 VAL 16 2.411 11.743 -6.963
107 HG12 VAL 16 2HG1 VAL 16 1.031 12.854 -6.793
108 HG13 VAL 16 3HG1 VAL 16 2.596 13.254 -6.043
109 HG21 VAL 16 1HG2 VAL 16 3.184 10.412 -5.017
110 HG22 VAL 16 2HG2 VAL 16 3.385 11.882 -4.035
111 HG23 VAL 16 3HG2 VAL 16 2.355 10.554 -3.448
112 H ASP 17 H ASP 17 2.378 12.837 -2.098
113 HA ASP 17 HA ASP 17 2.918 15.612 -2.013
114 HB2 ASP 17 1HB ASP 17 4.565 13.221 -1.109
115 HB3 ASP 17 2HB ASP 17 5.040 14.884 -0.791
116 H TRP 18 H TRP 18 4.426 16.936 -2.889
117 HA TRP 18 HA TRP 18 5.265 16.323 -5.539
118 HB2 TRP 18 1HB TRP 18 6.117 18.525 -3.622
119 HB3 TRP 18 2HB TRP 18 6.629 18.452 -5.302
120 HD1 TRP 18 HD1 TRP 18 3.818 19.635 -3.131
121 HE1 TRP 18 HE1 TRP 18 1.903 20.598 -4.576
122 HE3 TRP 18 HE3 TRP 18 5.391 17.986 -7.726
123 HZ2 TRP 18 HZ2 TRP 18 1.180 20.641 -7.304
124 HZ3 TRP 18 HZ3 TRP 18 4.040 18.520 -9.714
125 HH2 TRP 18 HH2 TRP 18 1.968 19.830 -9.514
126 H GLY 19 H GLY 19 7.046 15.474 -6.391
127 HA2 GLY 19 1HA GLY 19 9.467 15.105 -6.347
128 HA3 GLY 19 2HA GLY 19 9.396 15.021 -4.597
129 H LYS 20 H LYS 20 6.727 13.433 -5.135
130 HA LYS 20 HA LYS 20 8.101 10.802 -5.352
131 HB2 LYS 20 1HB LYS 20 5.360 11.555 -4.260
132 HB3 LYS 20 2HB LYS 20 5.967 9.908 -4.370
133 HG2 LYS 20 1HG LYS 20 7.838 10.515 -2.849
134 HG3 LYS 20 2HG LYS 20 7.158 12.142 -2.703
135 HD2 LYS 20 1HD LYS 20 5.049 11.164 -1.818
136 HD3 LYS 20 2HD LYS 20 5.770 9.551 -1.925
137 HE2 LYS 20 1HE LYS 20 6.877 11.844 -0.263
138 HE3 LYS 20 2HE LYS 20 5.894 10.520 0.367
139 HZ1 LYS 20 1HZ LYS 20 8.222 10.121 0.689
140 HZ2 LYS 20 2HZ LYS 20 7.603 8.991 -0.341
141 HZ3 LYS 20 3HZ LYS 20 8.522 10.229 -0.929
142 H ALA 21 H ALA 21 6.865 9.032 -6.399
143 HA ALA 21 HA ALA 21 6.334 9.903 -9.117
144 HB1 ALA 21 1HB ALA 21 6.094 7.486 -9.587
145 HB2 ALA 21 2HB ALA 21 7.580 7.836 -8.672
146 HB3 ALA 21 3HB ALA 21 6.164 7.149 -7.842
147 H THR 22 H THR 22 4.472 9.447 -10.370
148 HA THR 22 HA THR 22 1.980 9.460 -8.729
149 HB THR 22 HB THR 22 0.891 10.470 -10.731
150 HG1 THR 22 HG1 THR 22 2.309 11.165 -12.432
151 HG21 THR 22 1HG2 THR 22 1.994 12.669 -10.592
152 HG22 THR 22 2HG2 THR 22 1.846 11.929 -8.981
153 HG23 THR 22 3HG2 THR 22 3.412 11.915 -9.827
154 H THR 23 H THR 23 3.687 7.139 -9.767
155 HA THR 23 HA THR 23 2.399 5.891 -11.953
156 HB THR 23 HB THR 23 3.835 4.609 -9.588
157 HG1 THR 23 HG1 THR 23 5.337 4.510 -11.678
158 HG21 THR 23 1HG2 THR 23 4.140 2.688 -11.099
159 HG22 THR 23 2HG2 THR 23 2.413 2.994 -10.800
160 HG23 THR 23 3HG2 THR 23 3.153 3.498 -12.337
161 H CYS 24 H CYS 24 1.800 5.537 -8.451
162 HA CYS 24 HA CYS 24 -0.288 3.622 -8.678
163 HB2 CYS 24 1HB CYS 24 0.834 4.168 -6.544
164 HB3 CYS 24 2HB CYS 24 0.129 5.777 -6.569
165 H ILE 25 H ILE 25 -0.370 7.189 -8.578
166 HA ILE 25 HA ILE 25 -3.181 7.497 -8.666
167 HB ILE 25 HB ILE 25 -0.943 9.254 -9.742
168 HG12 ILE 25 1HG1 ILE 25 -2.692 9.596 -7.300
169 HG13 ILE 25 2HG1 ILE 25 -1.117 8.818 -7.267
170 HG21 ILE 25 1HG2 ILE 25 -2.625 11.046 -9.882
171 HG22 ILE 25 2HG2 ILE 25 -3.019 9.710 -10.988
172 HG23 ILE 25 3HG2 ILE 25 -3.903 9.884 -9.454
173 HD11 ILE 25 1HD1 ILE 25 -0.959 11.143 -6.577
174 HD12 ILE 25 2HD1 ILE 25 -0.066 10.878 -8.094
175 HD13 ILE 25 3HD1 ILE 25 -1.660 11.669 -8.125
176 H ILE 26 H ILE 26 -0.810 7.205 -11.313
177 HA ILE 26 HA ILE 26 -2.681 7.486 -13.443
178 HB ILE 26 HB ILE 26 0.002 6.062 -13.277
179 HG12 ILE 26 1HG1 ILE 26 -0.746 8.642 -14.661
180 HG13 ILE 26 2HG1 ILE 26 -0.138 8.571 -13.015
181 HG21 ILE 26 1HG2 ILE 26 -0.055 5.986 -15.737
182 HG22 ILE 26 2HG2 ILE 26 -1.371 5.015 -15.037
183 HG23 ILE 26 3HG2 ILE 26 -1.717 6.620 -15.722
184 HD11 ILE 26 1HD1 ILE 26 1.644 9.084 -14.587
185 HD12 ILE 26 2HD1 ILE 26 1.929 7.506 -13.810
186 HD13 ILE 26 3HD1 ILE 26 1.313 7.580 -15.478
187 H ASN 27 H ASN 27 -1.489 4.612 -11.705
188 HA ASN 27 HA ASN 27 -2.864 2.689 -13.296
189 HB2 ASN 27 1HB ASN 27 -1.890 2.655 -10.429
190 HB3 ASN 27 2HB ASN 27 -2.671 1.267 -11.173
191 HD21 ASN 27 1HD2 ASN 27 1.023 0.993 -11.519
192 HD22 ASN 27 2HD2 ASN 27 -0.068 1.215 -10.193
193 H ASN 28 H ASN 28 -3.860 4.472 -10.389
194 HA ASN 28 HA ASN 28 -6.390 3.159 -10.108
195 HB2 ASN 28 1HB ASN 28 -5.348 5.856 -9.213
196 HB3 ASN 28 2HB ASN 28 -6.992 5.330 -8.874
197 HD21 ASN 28 1HD2 ASN 28 -4.795 4.473 -6.010
198 HD22 ASN 28 2HD2 ASN 28 -5.189 5.924 -6.869
199 H GLY 29 H GLY 29 -5.370 6.028 -11.929
200 HA2 GLY 29 1HA GLY 29 -7.941 6.798 -12.890
201 HA3 GLY 29 2HA GLY 29 -6.413 7.138 -13.679
202 H ALA 30 H ALA 30 -5.469 4.583 -14.230
203 HA ALA 30 HA ALA 30 -6.887 3.931 -16.606
204 HB1 ALA 30 1HB ALA 30 -5.406 1.952 -16.700
205 HB2 ALA 30 2HB ALA 30 -4.503 3.434 -16.305
206 HB3 ALA 30 3HB ALA 30 -4.898 2.263 -15.024
207 H LEU 31 H LEU 31 -6.892 2.436 -13.380
208 HA LEU 31 HA LEU 31 -8.656 0.286 -14.064
209 HB2 LEU 31 1HB LEU 31 -8.057 1.678 -11.434
210 HB3 LEU 31 2HB LEU 31 -9.103 0.261 -11.563
211 HG LEU 31 HG LEU 31 -6.181 0.308 -12.392
212 HD11 LEU 31 1HD1 LEU 31 -5.789 -0.928 -10.308
213 HD12 LEU 31 2HD1 LEU 31 -6.423 0.705 -9.995
214 HD13 LEU 31 3HD1 LEU 31 -7.496 -0.708 -9.857
215 HD21 LEU 31 1HD2 LEU 31 -6.470 -2.148 -12.394
216 HD22 LEU 31 2HD2 LEU 31 -8.189 -1.946 -11.972
217 HD23 LEU 31 3HD2 LEU 31 -7.585 -1.371 -13.545
218 H ALA 32 H ALA 32 -9.210 3.587 -12.875
219 HA ALA 32 HA ALA 32 -12.035 3.366 -12.581
220 HB1 ALA 32 1HB ALA 32 -12.033 5.833 -12.754
221 HB2 ALA 32 2HB ALA 32 -10.752 5.248 -11.667
222 HB3 ALA 32 3HB ALA 32 -10.346 5.785 -13.313
223 H TRP 33 H TRP 33 -9.999 4.181 -15.372
224 HA TRP 33 HA TRP 33 -12.190 4.782 -17.132
225 HB2 TRP 33 1HB TRP 33 -9.349 3.865 -17.729
226 HB3 TRP 33 2HB TRP 33 -10.484 4.442 -18.940
227 HD1 TRP 33 HD1 TRP 33 -11.571 6.850 -16.833
228 HE1 TRP 33 HE1 TRP 33 -10.117 8.982 -16.680
229 HE3 TRP 33 HE3 TRP 33 -7.181 4.943 -18.677
230 HZ2 TRP 33 HZ2 TRP 33 -7.459 9.729 -17.266
231 HZ3 TRP 33 HZ3 TRP 33 -5.219 6.421 -18.858
232 HH2 TRP 33 HH2 TRP 33 -5.348 8.776 -18.162
233 H ALA 34 H ALA 34 -10.408 1.819 -16.346
234 HA ALA 34 HA ALA 34 -11.585 0.246 -18.447
235 HB1 ALA 34 1HB ALA 34 -10.694 -1.685 -17.185
236 HB2 ALA 34 2HB ALA 34 -9.479 -0.397 -17.362
237 HB3 ALA 34 3HB ALA 34 -10.329 -0.613 -15.814
238 H THR 35 H THR 35 -12.448 0.860 -15.066
239 HA THR 35 HA THR 35 -14.667 -1.090 -15.272
240 HB THR 35 HB THR 35 -14.947 -0.714 -12.842
241 HG1 THR 35 HG1 THR 35 -12.655 0.967 -12.964
242 HG21 THR 35 1HG2 THR 35 -12.781 -1.628 -12.106
243 HG22 THR 35 2HG2 THR 35 -13.317 -2.401 -13.616
244 HG23 THR 35 3HG2 THR 35 -12.049 -1.154 -13.656
245 H GLY 36 H GLY 36 -14.072 2.277 -15.525
246 HA2 GLY 36 1HA GLY 36 -15.610 3.935 -16.174
247 HA3 GLY 36 2HA GLY 36 -16.928 2.803 -15.937
248 H GLY 37 H GLY 37 -14.465 3.371 -13.484
249 HA2 GLY 37 1HA GLY 37 -16.595 4.439 -11.689
250 HA3 GLY 37 2HA GLY 37 -15.117 3.652 -11.167
251 H HIS 38 H HIS 38 -14.273 5.240 -9.886
252 HA HIS 38 HA HIS 38 -13.421 7.739 -11.290
253 HB2 HIS 38 1HB HIS 38 -14.612 7.583 -8.495
254 HB3 HIS 38 2HB HIS 38 -13.864 9.010 -9.200
255 HD2 HIS 38 HD2 HIS 38 -17.215 7.021 -9.397
256 HE1 HIS 38 HE1 HIS 38 -17.564 10.498 -11.837
257 HE2 HIS 38 HE2 HIS 38 -18.805 8.523 -10.808
258 H GLN 39 H GLN 39 -11.476 8.600 -10.686
259 HA GLN 39 HA GLN 39 -9.532 6.761 -9.660
260 HB2 GLN 39 1HB GLN 39 -9.014 8.621 -11.244
261 HB3 GLN 39 2HB GLN 39 -9.335 9.784 -9.967
262 HG2 GLN 39 1HG GLN 39 -7.483 8.879 -8.647
263 HG3 GLN 39 2HG GLN 39 -7.161 7.680 -9.932
264 HE21 GLN 39 1HE2 GLN 39 -5.567 9.927 -12.125
265 HE22 GLN 39 2HE2 GLN 39 -6.385 8.407 -11.979
266 H GLY 40 H GLY 40 -9.247 6.126 -7.659
267 HA2 GLY 40 1HA GLY 40 -8.626 6.973 -5.351
268 HA3 GLY 40 2HA GLY 40 -10.041 8.003 -5.458
269 H ASN 41 H ASN 41 -11.214 5.517 -7.046
270 HA ASN 41 HA ASN 41 -12.138 4.077 -4.618
271 HB2 ASN 41 1HB ASN 41 -13.137 4.124 -7.481
272 HB3 ASN 41 2HB ASN 41 -13.760 3.022 -6.260
273 HD21 ASN 41 1HD2 ASN 41 -15.677 6.308 -6.562
274 HD22 ASN 41 2HD2 ASN 41 -14.982 5.286 -7.775
275 H HIS 42 H HIS 42 -9.461 3.840 -6.124
276 HA HIS 42 HA HIS 42 -9.526 0.856 -6.307
277 HB2 HIS 42 1HB HIS 42 -8.080 2.683 -8.260
278 HB3 HIS 42 2HB HIS 42 -8.056 0.926 -8.263
279 HD1 HIS 42 HD1 HIS 42 -10.460 -0.257 -8.736
280 HD2 HIS 42 HD2 HIS 42 -10.261 3.833 -9.729
281 HE1 HIS 42 HE1 HIS 42 -12.296 0.148 -10.296
282 H LYS 43 H LYS 43 -7.565 -0.203 -5.887
283 HA LYS 43 HA LYS 43 -5.648 1.494 -4.343
284 HB2 LYS 43 1HB LYS 43 -6.482 -1.400 -3.896
285 HB3 LYS 43 2HB LYS 43 -5.171 -0.604 -3.035
286 HG2 LYS 43 1HG LYS 43 -6.791 1.048 -2.130
287 HG3 LYS 43 2HG LYS 43 -8.097 0.186 -2.956
288 HD2 LYS 43 1HD LYS 43 -7.551 -1.865 -1.680
289 HD3 LYS 43 2HD LYS 43 -6.249 -0.999 -0.852
290 HE2 LYS 43 1HE LYS 43 -7.891 0.584 0.091
291 HE3 LYS 43 2HE LYS 43 -9.197 -0.256 -0.750
292 HZ1 LYS 43 1HZ LYS 43 -9.019 -0.956 1.523
293 HZ2 LYS 43 2HZ LYS 43 -8.674 -2.222 0.523
294 HZ3 LYS 43 3HZ LYS 43 -7.456 -1.436 1.310
295 H CYS 44 H CYS 44 -3.431 0.769 -4.268
296 HA CYS 44 HA CYS 44 -2.658 -0.469 -6.871
297 HB2 CYS 44 1HB CYS 44 -1.098 1.412 -5.056
298 HB3 CYS 44 2HB CYS 44 -0.482 0.705 -6.543