Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
586556 | 2mxv RC | 25433 | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 H1 GLY 1 H GLY 1 3.309 21.511 -5.167
2 HA2 GLY 1 1HA GLY 1 0.786 22.771 -5.506
3 HA3 GLY 1 2HA GLY 1 0.793 21.291 -6.458
4 H HIS 2 H HIS 2 -0.641 20.108 -5.219
5 HA HIS 2 HA HIS 2 -0.565 19.937 -2.363
6 HB2 HIS 2 2HB HIS 2 -2.247 18.105 -2.651
7 HB3 HIS 2 1HB HIS 2 -2.667 19.553 -3.554
8 HD1 HIS 2 1HD HIS 2 -3.364 19.144 -5.898
9 HD2 HIS 2 2HD HIS 2 -0.981 16.055 -4.476
10 HE1 HIS 2 1HE HIS 2 -3.351 17.405 -7.698
11 HE2 HIS 2 2HE HIS 2 -1.869 15.579 -6.839
12 H MET 3 H MET 3 -0.145 17.990 -1.101
13 HA MET 3 HA MET 3 1.352 15.797 -2.214
14 HB2 MET 3 2HB MET 3 3.366 16.143 -0.712
15 HB3 MET 3 1HB MET 3 3.235 17.256 -2.061
16 HG2 MET 3 2HG MET 3 2.194 18.908 -0.362
17 HG3 MET 3 1HG MET 3 2.812 17.811 0.871
18 HE1 MET 3 3HE MET 3 3.718 20.310 -2.018
19 HE2 MET 3 1HE MET 3 4.408 18.802 -2.626
20 HE3 MET 3 2HE MET 3 5.468 20.114 -2.115
21 HA PRO 4 HA PRO 4 -1.267 14.582 1.421
22 HB2 PRO 4 2HB PRO 4 -2.135 12.208 0.303
23 HB3 PRO 4 1HB PRO 4 -2.924 13.768 -0.009
24 HG2 PRO 4 2HG PRO 4 -0.921 12.307 -1.715
25 HG3 PRO 4 1HG PRO 4 -2.434 13.113 -2.196
26 HD2 PRO 4 2HD PRO 4 -0.023 14.325 -2.515
27 HD3 PRO 4 1HD PRO 4 -1.485 15.254 -2.116
28 H LYS 5 H LYS 5 1.085 12.823 -0.533
29 HA LYS 5 HA LYS 5 2.615 11.221 -0.162
30 HB2 LYS 5 2HB LYS 5 2.815 12.849 2.392
31 HB3 LYS 5 1HB LYS 5 3.942 11.539 2.038
32 HG2 LYS 5 2HG LYS 5 3.501 14.010 0.322
33 HG3 LYS 5 1HG LYS 5 4.876 13.723 1.399
34 HD2 LYS 5 2HD LYS 5 5.558 11.769 0.042
35 HD3 LYS 5 1HD LYS 5 4.161 11.986 -1.014
36 HE2 LYS 5 2HE LYS 5 5.061 14.132 -1.783
37 HE3 LYS 5 1HE LYS 5 6.435 13.965 -0.684
38 HZ1 LYS 5 3HZ LYS 5 7.065 11.942 -1.882
39 HZ2 LYS 5 1HZ LYS 5 7.049 13.293 -2.900
40 HZ3 LYS 5 2HZ LYS 5 5.786 12.172 -2.964
41 H ILE 6 H ILE 6 -0.033 10.467 0.363
42 HA ILE 6 HA ILE 6 0.057 8.442 2.428
43 HB ILE 6 HB ILE 6 -2.093 9.511 1.839
44 HG12 ILE 6 2HG1 ILE 6 -2.205 6.546 1.110
45 HG13 ILE 6 1HG1 ILE 6 -2.025 7.153 2.750
46 HG21 ILE 6 1HG2 ILE 6 -1.865 8.182 -0.879
47 HG22 ILE 6 2HG2 ILE 6 -1.739 9.912 -0.551
48 HG23 ILE 6 3HG2 ILE 6 -3.266 9.073 -0.272
49 HD11 ILE 6 3HD1 ILE 6 -4.314 6.540 2.332
50 HD12 ILE 6 1HD1 ILE 6 -4.399 7.628 0.945
51 HD13 ILE 6 2HD1 ILE 6 -4.194 8.281 2.573
52 H ASN 7 H ASN 7 0.641 8.745 -1.035
53 HA ASN 7 HA ASN 7 1.378 5.973 -1.431
54 HB2 ASN 7 2HB ASN 7 1.936 8.398 -3.196
55 HB3 ASN 7 1HB ASN 7 2.186 6.716 -3.654
56 HD21 ASN 7 1HD2 ASN 7 0.782 6.810 -5.399
57 HD22 ASN 7 2HD2 ASN 7 -0.927 6.974 -5.235
58 H GLU 8 H GLU 8 2.714 5.973 0.469
59 HA GLU 8 HA GLU 8 5.489 6.943 0.085
60 HB2 GLU 8 2HB GLU 8 3.777 8.256 1.738
61 HB3 GLU 8 1HB GLU 8 4.245 6.984 2.852
62 HG2 GLU 8 2HG GLU 8 6.228 8.818 1.467
63 HG3 GLU 8 1HG GLU 8 5.502 9.193 3.024
64 H ASP 9 H ASP 9 3.735 4.381 -0.026
65 HA ASP 9 HA ASP 9 3.862 2.180 0.306
66 HB2 ASP 9 2HB ASP 9 6.374 2.774 -0.341
67 HB3 ASP 9 1HB ASP 9 6.714 2.318 1.325
68 H TRP 10 H TRP 10 4.504 0.408 2.025
69 HA TRP 10 HA TRP 10 4.899 1.199 4.713
70 HB2 TRP 10 2HB TRP 10 2.685 0.285 5.617
71 HB3 TRP 10 1HB TRP 10 2.584 1.841 4.807
72 HD1 TRP 10 HD TRP 10 1.356 1.870 2.332
73 HE1 TRP 10 1HE TRP 10 -0.429 0.306 1.357
74 HE3 TRP 10 3HE TRP 10 1.902 -2.089 5.515
75 HZ2 TRP 10 2HZ TRP 10 -1.481 -2.256 1.863
76 HZ3 TRP 10 3HZ TRP 10 0.472 -4.054 5.204
77 HH2 TRP 10 HH TRP 10 -1.177 -4.145 3.410
78 H LEU 11 H LEU 11 5.968 -0.395 5.590
79 HA LEU 11 HA LEU 11 6.307 -2.908 4.198
80 HB2 LEU 11 2HB LEU 11 8.094 -1.372 5.442
81 HB3 LEU 11 1HB LEU 11 7.580 -2.234 6.875
82 HG LEU 11 HG LEU 11 9.680 -3.133 5.851
83 HD11 LEU 11 1HD1 LEU 11 9.144 -5.506 5.939
84 HD12 LEU 11 2HD1 LEU 11 7.419 -5.137 5.841
85 HD13 LEU 11 3HD1 LEU 11 8.358 -4.620 7.243
86 HD21 LEU 11 3HD2 LEU 11 7.929 -3.965 3.513
87 HD22 LEU 11 1HD2 LEU 11 9.638 -4.349 3.735
88 HD23 LEU 11 2HD2 LEU 11 9.136 -2.678 3.490
89 H CYS 12 H CYS 12 5.004 -4.607 4.593
90 HA CYS 12 HA CYS 12 2.977 -4.712 6.530
91 HB2 CYS 12 2HB CYS 12 2.740 -6.015 4.503
92 HB3 CYS 12 1HB CYS 12 4.237 -6.884 4.812
93 H ASN 13 H ASN 13 2.695 -6.112 8.320
94 HA ASN 13 HA ASN 13 5.089 -6.492 9.970
95 HB2 ASN 13 2HB ASN 13 3.404 -6.887 11.825
96 HB3 ASN 13 1HB ASN 13 3.304 -5.309 11.060
97 HD21 ASN 13 1HD2 ASN 13 1.171 -5.025 11.807
98 HD22 ASN 13 2HD2 ASN 13 -0.172 -5.857 11.097
99 H LYS 14 H LYS 14 3.272 -8.383 7.880
100 HA LYS 14 HA LYS 14 4.082 -10.911 9.198
101 HB2 LYS 14 2HB LYS 14 1.586 -10.337 7.568
102 HB3 LYS 14 1HB LYS 14 2.113 -11.962 8.000
103 HG2 LYS 14 2HG LYS 14 1.831 -11.489 10.372
104 HG3 LYS 14 1HG LYS 14 1.459 -9.796 10.030
105 HD2 LYS 14 2HD LYS 14 -0.219 -12.167 9.101
106 HD3 LYS 14 1HD LYS 14 -0.582 -11.169 10.515
107 HE2 LYS 14 2HE LYS 14 -0.862 -9.198 9.096
108 HE3 LYS 14 1HE LYS 14 -0.378 -10.119 7.672
109 HZ1 LYS 14 3HZ LYS 14 -2.747 -9.894 7.777
110 HZ2 LYS 14 1HZ LYS 14 -2.794 -10.597 9.312
111 HZ3 LYS 14 2HZ LYS 14 -2.321 -11.515 7.975
112 H CYS 15 H CYS 15 2.965 -9.892 5.835
113 HA CYS 15 HA CYS 15 4.705 -11.867 4.658
114 HB2 CYS 15 2HB CYS 15 3.911 -10.986 2.525
115 HB3 CYS 15 1HB CYS 15 2.567 -11.227 3.634
116 H GLY 16 H GLY 16 4.888 -8.469 5.382
117 HA2 GLY 16 2HA GLY 16 6.669 -7.052 5.580
118 HA3 GLY 16 1HA GLY 16 7.740 -8.407 5.249
119 H VAL 17 H VAL 17 5.182 -7.351 3.063
120 HA VAL 17 HA VAL 17 7.145 -7.133 0.927
121 HB VAL 17 HB VAL 17 5.250 -6.937 -0.621
122 HG11 VAL 17 1HG1 VAL 17 4.828 -9.154 1.408
123 HG12 VAL 17 2HG1 VAL 17 5.957 -9.179 0.051
124 HG13 VAL 17 3HG1 VAL 17 4.219 -9.142 -0.250
125 HG21 VAL 17 3HG2 VAL 17 2.899 -7.046 0.156
126 HG22 VAL 17 1HG2 VAL 17 3.702 -5.581 0.727
127 HG23 VAL 17 2HG2 VAL 17 3.444 -6.931 1.832
128 H GLN 18 H GLN 18 7.633 -5.353 -0.263
129 HA GLN 18 HA GLN 18 6.702 -2.677 0.424
130 HB2 GLN 18 2HB GLN 18 9.061 -3.003 -0.217
131 HB3 GLN 18 1HB GLN 18 8.593 -3.760 -1.729
132 HG2 GLN 18 2HG GLN 18 7.798 -0.893 -1.188
133 HG3 GLN 18 1HG GLN 18 9.443 -1.264 -1.697
134 HE21 GLN 18 1HE2 GLN 18 8.702 -3.431 -3.494
135 HE22 GLN 18 2HE2 GLN 18 7.960 -2.696 -4.869
136 H ASN 19 H ASN 19 4.812 -1.964 -0.413
137 HA ASN 19 HA ASN 19 3.439 -3.657 -2.420
138 HB2 ASN 19 2HB ASN 19 1.353 -2.804 -1.437
139 HB3 ASN 19 1HB ASN 19 2.387 -3.470 -0.181
140 HD21 ASN 19 1HD2 ASN 19 3.536 -1.988 1.175
141 HD22 ASN 19 2HD2 ASN 19 2.908 -0.406 1.457
142 H PHE 20 H PHE 20 1.421 -1.918 -3.255
143 HA PHE 20 HA PHE 20 2.849 -0.295 -5.192
144 HB2 PHE 20 2HB PHE 20 0.936 -1.700 -5.877
145 HB3 PHE 20 1HB PHE 20 -0.125 -0.841 -4.768
146 HD1 PHE 20 2HD PHE 20 2.313 0.114 -7.478
147 HD2 PHE 20 1HD PHE 20 -1.615 0.616 -5.840
148 HE1 PHE 20 2HE PHE 20 1.767 1.734 -9.256
149 HE2 PHE 20 1HE PHE 20 -2.143 2.243 -7.621
150 HZ PHE 20 HZ PHE 20 -0.455 2.791 -9.328
151 H LYS 21 H LYS 21 2.521 0.429 -2.189
152 HA LYS 21 HA LYS 21 2.747 2.220 -0.910
153 HB2 LYS 21 2HB LYS 21 2.798 3.924 -3.430
154 HB3 LYS 21 1HB LYS 21 3.487 4.328 -1.854
155 HG2 LYS 21 2HG LYS 21 4.999 2.288 -2.139
156 HG3 LYS 21 1HG LYS 21 4.426 2.206 -3.804
157 HD2 LYS 21 2HD LYS 21 5.316 4.523 -4.159
158 HD3 LYS 21 1HD LYS 21 5.979 4.476 -2.516
159 HE2 LYS 21 2HE LYS 21 6.744 2.728 -4.881
160 HE3 LYS 21 1HE LYS 21 7.772 3.853 -3.991
161 HZ1 LYS 21 3HZ LYS 21 7.554 2.391 -2.040
162 HZ2 LYS 21 1HZ LYS 21 8.263 1.598 -3.350
163 HZ3 LYS 21 2HZ LYS 21 6.651 1.290 -2.949
164 H ARG 22 H ARG 22 0.014 1.856 -2.737
165 HA ARG 22 HA ARG 22 -1.500 4.063 -1.491
166 HB2 ARG 22 2HB ARG 22 -1.126 4.339 -3.930
167 HB3 ARG 22 1HB ARG 22 -1.838 2.762 -4.233
168 HG2 ARG 22 2HG ARG 22 -3.400 4.548 -4.769
169 HG3 ARG 22 1HG ARG 22 -4.020 3.584 -3.435
170 HD2 ARG 22 2HD ARG 22 -3.340 5.302 -1.832
171 HD3 ARG 22 1HD ARG 22 -2.606 6.257 -3.126
172 HE ARG 22 HE ARG 22 -4.915 6.426 -4.074
173 HH11 ARG 22 1HH1 ARG 22 -4.518 5.913 -0.598
174 HH12 ARG 22 2HH1 ARG 22 -6.038 6.648 -0.215
175 HH21 ARG 22 1HH2 ARG 22 -6.873 7.396 -3.535
176 HH22 ARG 22 2HH2 ARG 22 -7.373 7.489 -1.880
177 H ARG 23 H ARG 23 -1.037 0.736 -1.827
178 HA ARG 23 HA ARG 23 -3.538 -0.453 -1.695
179 HB2 ARG 23 2HB ARG 23 -0.923 -1.300 -0.391
180 HB3 ARG 23 1HB ARG 23 -2.345 -2.333 -0.473
181 HG2 ARG 23 2HG ARG 23 -0.965 -1.222 -2.927
182 HG3 ARG 23 1HG ARG 23 -0.535 -2.761 -2.186
183 HD2 ARG 23 2HD ARG 23 -1.973 -3.358 -3.932
184 HD3 ARG 23 1HD ARG 23 -3.014 -3.411 -2.511
185 HE ARG 23 HE ARG 23 -3.682 -1.037 -3.301
186 HH11 ARG 23 1HH1 ARG 23 -2.902 -3.702 -5.486
187 HH12 ARG 23 2HH1 ARG 23 -3.910 -3.101 -6.762
188 HH21 ARG 23 1HH2 ARG 23 -4.988 -0.278 -5.015
189 HH22 ARG 23 2HH2 ARG 23 -5.079 -1.175 -6.493
190 H GLU 24 H GLU 24 -5.107 -0.467 -0.221
191 HA GLU 24 HA GLU 24 -4.843 0.614 2.448
192 HB2 GLU 24 2HB GLU 24 -6.923 0.866 1.148
193 HB3 GLU 24 1HB GLU 24 -7.138 -0.879 1.095
194 HG2 GLU 24 2HG GLU 24 -7.550 -0.968 3.482
195 HG3 GLU 24 1HG GLU 24 -7.082 0.723 3.674
196 H LYS 25 H LYS 25 -4.910 -2.521 0.898
197 HA LYS 25 HA LYS 25 -3.840 -3.805 3.326
198 HB2 LYS 25 2HB LYS 25 -5.965 -5.012 1.493
199 HB3 LYS 25 1HB LYS 25 -5.157 -5.857 2.810
200 HG2 LYS 25 2HG LYS 25 -6.193 -4.343 4.451
201 HG3 LYS 25 1HG LYS 25 -6.977 -3.442 3.149
202 HD2 LYS 25 2HD LYS 25 -7.477 -6.359 3.881
203 HD3 LYS 25 1HD LYS 25 -8.560 -5.003 4.209
204 HE2 LYS 25 2HE LYS 25 -8.802 -4.643 1.756
205 HE3 LYS 25 1HE LYS 25 -7.770 -6.041 1.462
206 HZ1 LYS 25 3HZ LYS 25 -10.409 -6.068 2.819
207 HZ2 LYS 25 1HZ LYS 25 -9.409 -7.416 2.608
208 HZ3 LYS 25 2HZ LYS 25 -10.070 -6.637 1.263
209 H CYS 26 H CYS 26 -2.374 -5.549 2.848
210 HA CYS 26 HA CYS 26 -0.714 -5.238 0.627
211 HB2 CYS 26 2HB CYS 26 -0.990 -7.423 2.697
212 HB3 CYS 26 1HB CYS 26 0.093 -7.651 1.331
213 H PHE 27 H PHE 27 -0.330 -6.572 -1.203
214 HA PHE 27 HA PHE 27 -2.711 -7.151 -2.657
215 HB2 PHE 27 2HB PHE 27 -1.236 -7.623 -4.552
216 HB3 PHE 27 1HB PHE 27 -0.692 -6.189 -3.705
217 HD1 PHE 27 2HD PHE 27 1.343 -6.328 -2.183
218 HD2 PHE 27 1HD PHE 27 0.239 -9.511 -4.832
219 HE1 PHE 27 2HE PHE 27 3.606 -7.266 -2.024
220 HE2 PHE 27 1HE PHE 27 2.513 -10.430 -4.658
221 HZ PHE 27 HZ PHE 27 4.192 -9.307 -3.257
222 H LYS 28 H LYS 28 -0.887 -9.135 -0.583
223 HA LYS 28 HA LYS 28 -2.035 -11.609 -1.710
224 HB2 LYS 28 2HB LYS 28 0.176 -12.752 -1.255
225 HB3 LYS 28 1HB LYS 28 0.197 -11.588 -2.564
226 HG2 LYS 28 2HG LYS 28 2.164 -10.992 -1.536
227 HG3 LYS 28 1HG LYS 28 1.074 -9.932 -0.658
228 HD2 LYS 28 2HD LYS 28 2.643 -11.013 0.864
229 HD3 LYS 28 1HD LYS 28 1.009 -11.584 1.192
230 HE2 LYS 28 2HE LYS 28 1.485 -13.672 -0.041
231 HE3 LYS 28 1HE LYS 28 3.105 -13.083 -0.413
232 HZ1 LYS 28 3HZ LYS 28 2.059 -13.642 2.307
233 HZ2 LYS 28 1HZ LYS 28 3.611 -13.083 1.937
234 HZ3 LYS 28 2HZ LYS 28 3.123 -14.617 1.432
235 H CYS 29 H CYS 29 -0.494 -10.066 1.128
236 HA CYS 29 HA CYS 29 -1.407 -12.080 2.967
237 HB2 CYS 29 2HB CYS 29 0.729 -10.962 3.244
238 HB3 CYS 29 1HB CYS 29 -0.050 -9.388 3.304
239 H GLY 30 H GLY 30 -2.329 -8.763 2.097
240 HA2 GLY 30 2HA GLY 30 -4.339 -7.682 2.242
241 HA3 GLY 30 1HA GLY 30 -5.058 -9.165 2.852
242 H VAL 31 H VAL 31 -2.293 -7.837 4.553
243 HA VAL 31 HA VAL 31 -3.848 -7.251 6.903
244 HB VAL 31 HB VAL 31 -1.528 -8.034 7.142
245 HG11 VAL 31 1HG1 VAL 31 -0.664 -5.395 5.920
246 HG12 VAL 31 2HG1 VAL 31 -0.499 -6.990 5.183
247 HG13 VAL 31 3HG1 VAL 31 0.409 -6.598 6.644
248 HG21 VAL 31 3HG2 VAL 31 -0.734 -6.405 8.854
249 HG22 VAL 31 1HG2 VAL 31 -2.462 -6.738 9.001
250 HG23 VAL 31 2HG2 VAL 31 -1.919 -5.230 8.262
251 HA PRO 32 HA PRO 32 -4.986 -3.024 5.755
252 HB2 PRO 32 2HB PRO 32 -5.215 -2.623 8.731
253 HB3 PRO 32 1HB PRO 32 -6.419 -2.333 7.455
254 HG2 PRO 32 2HG PRO 32 -6.700 -4.430 9.050
255 HG3 PRO 32 1HG PRO 32 -7.003 -4.605 7.307
256 HD2 PRO 32 2HD PRO 32 -4.537 -5.386 8.857
257 HD3 PRO 32 1HD PRO 32 -5.435 -6.319 7.634
258 H LYS 33 H LYS 33 -3.938 -1.107 5.552
259 HA LYS 33 HA LYS 33 -1.236 -0.780 6.279
260 HB2 LYS 33 2HB LYS 33 -2.077 0.131 4.187
261 HB3 LYS 33 1HB LYS 33 -3.289 1.094 5.017
262 HG2 LYS 33 2HG LYS 33 -0.436 1.635 5.725
263 HG3 LYS 33 1HG LYS 33 -0.932 2.101 4.104
264 HD2 LYS 33 2HD LYS 33 -2.323 3.810 4.854
265 HD3 LYS 33 1HD LYS 33 -2.752 2.964 6.343
266 HE2 LYS 33 2HE LYS 33 -0.518 3.453 7.231
267 HE3 LYS 33 1HE LYS 33 -0.143 4.369 5.767
268 HZ1 LYS 33 3HZ LYS 33 -2.334 5.002 7.663
269 HZ2 LYS 33 1HZ LYS 33 -1.907 5.894 6.291
270 HZ3 LYS 33 2HZ LYS 33 -0.841 5.784 7.596
271 H SER 34 H SER 34 -4.255 0.230 7.690
272 HA SER 34 HA SER 34 -3.360 2.139 9.574
273 HB2 SER 34 2HB SER 34 -5.527 1.513 10.749
274 HB3 SER 34 1HB SER 34 -5.715 1.942 9.048
275 HG SER 34 HG SER 34 -6.115 -0.486 10.309
276 H GLU 35 H GLU 35 -3.451 -1.378 9.543
277 HA GLU 35 HA GLU 35 -2.524 -1.677 12.303
278 HB2 GLU 35 2HB GLU 35 -4.228 -3.221 11.126
279 HB3 GLU 35 1HB GLU 35 -2.870 -3.870 10.212
280 HG2 GLU 35 2HG GLU 35 -1.796 -4.427 12.481
281 HG3 GLU 35 1HG GLU 35 -3.355 -4.034 13.207
282 H ALA 36 H ALA 36 -1.033 -0.722 9.616
283 HA ALA 36 HA ALA 36 1.564 -2.020 10.220
284 HB1 ALA 36 1HB ALA 36 0.669 -2.811 8.073
285 HB2 ALA 36 2HB ALA 36 2.110 -1.826 7.828
286 HB3 ALA 36 3HB ALA 36 0.510 -1.149 7.497
287 H GLU 37 H GLU 37 2.892 -0.172 8.325
288 HA GLU 37 HA GLU 37 3.863 1.672 10.129
289 HB2 GLU 37 2HB GLU 37 3.920 1.737 7.090
290 HB3 GLU 37 1HB GLU 37 4.936 2.742 8.127
291 HG2 GLU 37 2HG GLU 37 4.986 -0.297 7.983
292 HG3 GLU 37 1HG GLU 37 6.181 0.794 7.288
293 H GLN 38 H GLN 38 2.982 3.396 11.010
294 HA GLN 38 HA GLN 38 0.741 4.854 9.889
295 HB2 GLN 38 2HB GLN 38 0.898 4.348 12.333
296 HB3 GLN 38 1HB GLN 38 2.334 5.358 12.449
297 HG2 GLN 38 2HG GLN 38 0.977 7.343 11.820
298 HG3 GLN 38 1HG GLN 38 -0.452 6.320 11.695
299 HE21 GLN 38 1HE2 GLN 38 -1.566 7.493 13.283
300 HE22 GLN 38 2HE2 GLN 38 -1.148 7.412 14.958
301 H LYS 39 H LYS 39 0.797 7.133 9.470
302 HA LYS 39 HA LYS 39 3.388 8.085 8.364
303 HB2 LYS 39 2HB LYS 39 0.539 8.577 7.393
304 HB3 LYS 39 1HB LYS 39 1.987 9.263 6.657
305 HG2 LYS 39 2HG LYS 39 1.293 6.311 6.821
306 HG3 LYS 39 1HG LYS 39 1.157 7.332 5.384
307 HD2 LYS 39 2HD LYS 39 3.591 7.649 5.340
308 HD3 LYS 39 1HD LYS 39 3.765 6.746 6.849
309 HE2 LYS 39 2HE LYS 39 2.926 4.718 5.729
310 HE3 LYS 39 1HE LYS 39 2.767 5.616 4.213
311 HZ1 LYS 39 3HZ LYS 39 4.830 4.392 4.255
312 HZ2 LYS 39 1HZ LYS 39 5.277 5.118 5.711
313 HZ3 LYS 39 2HZ LYS 39 5.168 6.045 4.305
314 H LEU 40 H LEU 40 2.738 10.645 7.735
315 HA LEU 40 HA LEU 40 2.881 12.052 10.206
316 HB2 LEU 40 2HB LEU 40 2.600 13.013 7.331
317 HB3 LEU 40 1HB LEU 40 2.727 14.113 8.692
318 HG LEU 40 HG LEU 40 5.006 13.042 9.211
319 HD11 LEU 40 1HD1 LEU 40 4.713 11.867 6.436
320 HD12 LEU 40 2HD1 LEU 40 4.766 10.962 7.948
321 HD13 LEU 40 3HD1 LEU 40 6.184 11.864 7.418
322 HD21 LEU 40 3HD2 LEU 40 4.718 14.507 6.575
323 HD22 LEU 40 1HD2 LEU 40 6.197 14.371 7.533
324 HD23 LEU 40 2HD2 LEU 40 4.807 15.243 8.178
325 HA PRO 41 HA PRO 41 -1.438 12.709 11.232
326 HB2 PRO 41 2HB PRO 41 -0.671 15.566 11.829
327 HB3 PRO 41 1HB PRO 41 -1.491 14.379 12.867
328 HG2 PRO 41 2HG PRO 41 1.057 14.987 13.305
329 HG3 PRO 41 1HG PRO 41 0.501 13.303 13.448
330 HD2 PRO 41 2HD PRO 41 2.035 14.596 11.200
331 HD3 PRO 41 1HD PRO 41 2.230 12.978 11.912
332 H LEU 42 H LEU 42 -2.449 12.570 9.238
333 HA LEU 42 HA LEU 42 -3.558 14.867 7.980
334 HB2 LEU 42 2HB LEU 42 -1.213 15.018 7.101
335 HB3 LEU 42 1HB LEU 42 -1.366 13.406 6.430
336 HG LEU 42 HG LEU 42 -3.127 14.228 4.857
337 HD11 LEU 42 1HD1 LEU 42 -2.574 16.964 6.028
338 HD12 LEU 42 2HD1 LEU 42 -4.062 16.030 6.199
339 HD13 LEU 42 3HD1 LEU 42 -3.576 16.619 4.613
340 HD21 LEU 42 3HD2 LEU 42 -0.799 14.195 4.122
341 HD22 LEU 42 1HD2 LEU 42 -0.551 15.828 4.749
342 HD23 LEU 42 2HD2 LEU 42 -1.658 15.552 3.400
343 H GLY 43 H GLY 43 -5.537 13.923 7.873
344 HA2 GLY 43 2HA GLY 43 -5.847 11.140 6.948
345 HA3 GLY 43 1HA GLY 43 -7.070 12.139 7.721
Start of MODEL 2
1 H1 GLY 1 H GLY 1 23.811 3.105 0.678
2 HA2 GLY 1 1HA GLY 1 25.316 4.542 -1.257
3 HA3 GLY 1 2HA GLY 1 24.966 2.954 -1.922
4 H HIS 2 H HIS 2 22.415 2.600 -0.714
5 HA HIS 2 HA HIS 2 20.806 3.961 -2.662
6 HB2 HIS 2 2HB HIS 2 20.085 1.980 -0.473
7 HB3 HIS 2 1HB HIS 2 18.906 2.659 -1.590
8 HD1 HIS 2 1HD HIS 2 20.634 -0.324 -1.174
9 HD2 HIS 2 2HD HIS 2 20.033 2.166 -4.447
10 HE1 HIS 2 1HE HIS 2 21.002 -1.760 -3.200
11 HE2 HIS 2 2HE HIS 2 20.817 -0.184 -5.148
12 H MET 3 H MET 3 18.856 5.073 -2.191
13 HA MET 3 HA MET 3 18.758 6.648 0.311
14 HB2 MET 3 2HB MET 3 18.368 7.735 -2.521
15 HB3 MET 3 1HB MET 3 18.186 8.657 -1.033
16 HG2 MET 3 2HG MET 3 20.568 8.442 -0.566
17 HG3 MET 3 1HG MET 3 20.780 7.408 -1.983
18 HE1 MET 3 3HE MET 3 22.628 10.636 -3.171
19 HE2 MET 3 1HE MET 3 22.728 8.886 -2.970
20 HE3 MET 3 2HE MET 3 22.652 9.938 -1.553
21 HA PRO 4 HA PRO 4 14.678 4.501 -0.486
22 HB2 PRO 4 2HB PRO 4 13.962 4.258 2.170
23 HB3 PRO 4 1HB PRO 4 15.041 3.103 1.354
24 HG2 PRO 4 2HG PRO 4 15.769 5.443 3.105
25 HG3 PRO 4 1HG PRO 4 16.413 3.784 3.133
26 HD2 PRO 4 2HD PRO 4 17.770 5.784 1.932
27 HD3 PRO 4 1HD PRO 4 17.784 4.139 1.262
28 H LYS 5 H LYS 5 14.279 6.609 -1.415
29 HA LYS 5 HA LYS 5 12.238 8.170 0.030
30 HB2 LYS 5 2HB LYS 5 14.495 9.349 -1.672
31 HB3 LYS 5 1HB LYS 5 13.121 10.262 -1.057
32 HG2 LYS 5 2HG LYS 5 13.885 9.906 1.253
33 HG3 LYS 5 1HG LYS 5 15.235 8.925 0.674
34 HD2 LYS 5 2HD LYS 5 14.808 11.864 -0.012
35 HD3 LYS 5 1HD LYS 5 15.881 11.282 1.262
36 HE2 LYS 5 2HE LYS 5 17.311 10.184 -0.354
37 HE3 LYS 5 1HE LYS 5 16.173 10.510 -1.663
38 HZ1 LYS 5 3HZ LYS 5 17.675 12.567 -0.135
39 HZ2 LYS 5 1HZ LYS 5 16.590 12.865 -1.402
40 HZ3 LYS 5 2HZ LYS 5 18.030 12.033 -1.699
41 H ILE 6 H ILE 6 12.799 6.082 -2.256
42 HA ILE 6 HA ILE 6 11.613 7.350 -4.622
43 HB ILE 6 HB ILE 6 12.277 5.204 -5.760
44 HG12 ILE 6 2HG1 ILE 6 13.439 4.472 -3.018
45 HG13 ILE 6 1HG1 ILE 6 12.125 3.644 -3.845
46 HG21 ILE 6 1HG2 ILE 6 14.525 6.578 -4.243
47 HG22 ILE 6 2HG2 ILE 6 13.799 7.133 -5.754
48 HG23 ILE 6 3HG2 ILE 6 14.708 5.622 -5.717
49 HD11 ILE 6 3HD1 ILE 6 13.681 2.908 -5.585
50 HD12 ILE 6 1HD1 ILE 6 14.183 2.381 -3.981
51 HD13 ILE 6 2HD1 ILE 6 15.004 3.734 -4.755
52 H ASN 7 H ASN 7 10.673 5.564 -1.945
53 HA ASN 7 HA ASN 7 8.169 4.624 -3.206
54 HB2 ASN 7 2HB ASN 7 8.142 2.824 -1.449
55 HB3 ASN 7 1HB ASN 7 9.469 2.676 -2.589
56 HD21 ASN 7 1HD2 ASN 7 9.137 1.626 0.172
57 HD22 ASN 7 2HD2 ASN 7 10.521 2.187 1.042
58 H GLU 8 H GLU 8 6.576 5.891 -2.592
59 HA GLU 8 HA GLU 8 6.392 7.175 0.041
60 HB2 GLU 8 2HB GLU 8 5.825 8.424 -2.026
61 HB3 GLU 8 1HB GLU 8 4.605 7.231 -2.436
62 HG2 GLU 8 2HG GLU 8 3.614 9.305 -1.590
63 HG3 GLU 8 1HG GLU 8 3.226 7.934 -0.564
64 H ASP 9 H ASP 9 5.729 4.267 -1.322
65 HA ASP 9 HA ASP 9 3.274 3.394 -0.242
66 HB2 ASP 9 2HB ASP 9 5.567 1.588 -1.104
67 HB3 ASP 9 1HB ASP 9 3.836 1.321 -1.298
68 H TRP 10 H TRP 10 3.010 1.697 1.367
69 HA TRP 10 HA TRP 10 4.919 1.896 3.598
70 HB2 TRP 10 2HB TRP 10 3.135 0.767 4.955
71 HB3 TRP 10 1HB TRP 10 2.680 2.329 4.304
72 HD1 TRP 10 HD TRP 10 0.633 2.417 2.633
73 HE1 TRP 10 1HE TRP 10 -1.241 0.739 2.095
74 HE3 TRP 10 3HE TRP 10 2.769 -1.854 4.481
75 HZ2 TRP 10 2HZ TRP 10 -1.743 -2.012 2.383
76 HZ3 TRP 10 3HZ TRP 10 1.534 -3.974 4.279
77 HH2 TRP 10 HH TRP 10 -0.677 -4.056 3.246
78 H LEU 11 H LEU 11 5.454 0.033 4.829
79 HA LEU 11 HA LEU 11 5.897 -2.421 3.266
80 HB2 LEU 11 2HB LEU 11 7.423 -1.084 5.538
81 HB3 LEU 11 1HB LEU 11 7.643 -2.775 5.181
82 HG LEU 11 HG LEU 11 9.460 -1.511 4.194
83 HD11 LEU 11 1HD1 LEU 11 9.353 -2.239 1.875
84 HD12 LEU 11 2HD1 LEU 11 7.611 -2.497 2.014
85 HD13 LEU 11 3HD1 LEU 11 8.730 -3.477 2.966
86 HD21 LEU 11 3HD2 LEU 11 7.407 0.075 2.618
87 HD22 LEU 11 1HD2 LEU 11 9.165 0.202 2.475
88 HD23 LEU 11 2HD2 LEU 11 8.365 0.680 3.971
89 H CYS 12 H CYS 12 5.106 -4.326 4.083
90 HA CYS 12 HA CYS 12 3.005 -4.267 5.992
91 HB2 CYS 12 2HB CYS 12 2.916 -5.877 4.179
92 HB3 CYS 12 1HB CYS 12 4.438 -6.601 4.677
93 H ASN 13 H ASN 13 2.850 -5.399 7.965
94 HA ASN 13 HA ASN 13 5.287 -5.420 9.587
95 HB2 ASN 13 2HB ASN 13 3.688 -5.787 11.507
96 HB3 ASN 13 1HB ASN 13 3.417 -4.300 10.614
97 HD21 ASN 13 1HD2 ASN 13 1.580 -4.110 9.322
98 HD22 ASN 13 2HD2 ASN 13 0.220 -5.148 9.510
99 H LYS 14 H LYS 14 2.972 -7.648 8.179
100 HA LYS 14 HA LYS 14 4.190 -9.965 9.505
101 HB2 LYS 14 2HB LYS 14 1.779 -9.781 7.668
102 HB3 LYS 14 1HB LYS 14 2.389 -11.280 8.374
103 HG2 LYS 14 2HG LYS 14 2.035 -10.215 10.653
104 HG3 LYS 14 1HG LYS 14 1.179 -8.908 9.827
105 HD2 LYS 14 2HD LYS 14 0.415 -11.859 9.791
106 HD3 LYS 14 1HD LYS 14 -0.369 -10.602 10.747
107 HE2 LYS 14 2HE LYS 14 -1.037 -9.465 8.624
108 HE3 LYS 14 1HE LYS 14 -0.329 -10.802 7.718
109 HZ1 LYS 14 3HZ LYS 14 -2.528 -11.067 9.694
110 HZ2 LYS 14 1HZ LYS 14 -1.880 -12.302 8.739
111 HZ3 LYS 14 2HZ LYS 14 -2.732 -11.037 8.011
112 H CYS 15 H CYS 15 3.174 -9.473 5.994
113 HA CYS 15 HA CYS 15 5.141 -11.411 5.191
114 HB2 CYS 15 2HB CYS 15 4.320 -10.903 2.893
115 HB3 CYS 15 1HB CYS 15 3.036 -11.308 4.026
116 H GLY 16 H GLY 16 5.243 -8.018 5.682
117 HA2 GLY 16 2HA GLY 16 6.998 -6.554 5.629
118 HA3 GLY 16 1HA GLY 16 8.049 -7.878 5.148
119 H VAL 17 H VAL 17 5.274 -7.253 3.155
120 HA VAL 17 HA VAL 17 7.005 -6.903 0.872
121 HB VAL 17 HB VAL 17 4.969 -6.965 -0.509
122 HG11 VAL 17 1HG1 VAL 17 4.201 -9.234 0.068
123 HG12 VAL 17 2HG1 VAL 17 4.967 -9.096 1.652
124 HG13 VAL 17 3HG1 VAL 17 5.956 -9.088 0.189
125 HG21 VAL 17 3HG2 VAL 17 3.427 -5.679 0.911
126 HG22 VAL 17 1HG2 VAL 17 3.405 -6.979 2.106
127 HG23 VAL 17 2HG2 VAL 17 2.718 -7.240 0.499
128 H GLN 18 H GLN 18 6.460 -5.310 -0.835
129 HA GLN 18 HA GLN 18 6.129 -2.565 0.241
130 HB2 GLN 18 2HB GLN 18 8.473 -3.381 -0.538
131 HB3 GLN 18 1HB GLN 18 7.818 -3.409 -2.167
132 HG2 GLN 18 2HG GLN 18 7.871 -0.911 -0.449
133 HG3 GLN 18 1HG GLN 18 9.205 -1.376 -1.499
134 HE21 GLN 18 1HE2 GLN 18 7.405 -2.349 -3.657
135 HE22 GLN 18 2HE2 GLN 18 6.739 -0.925 -4.366
136 H ASN 19 H ASN 19 4.190 -1.799 -0.437
137 HA ASN 19 HA ASN 19 2.785 -3.148 -2.651
138 HB2 ASN 19 2HB ASN 19 0.748 -2.385 -1.605
139 HB3 ASN 19 1HB ASN 19 1.784 -3.014 -0.327
140 HD21 ASN 19 1HD2 ASN 19 -0.428 -1.030 -0.318
141 HD22 ASN 19 2HD2 ASN 19 0.209 0.361 0.459
142 H PHE 20 H PHE 20 0.845 -1.129 -3.201
143 HA PHE 20 HA PHE 20 2.414 1.005 -4.522
144 HB2 PHE 20 2HB PHE 20 1.051 -0.572 -5.987
145 HB3 PHE 20 1HB PHE 20 -0.406 0.075 -5.240
146 HD1 PHE 20 1HD PHE 20 2.748 1.529 -6.706
147 HD2 PHE 20 2HD PHE 20 -1.534 1.623 -6.642
148 HE1 PHE 20 1HE PHE 20 2.756 3.364 -8.358
149 HE2 PHE 20 2HE PHE 20 -1.513 3.451 -8.288
150 HZ PHE 20 HZ PHE 20 0.625 4.321 -9.146
151 H LYS 21 H LYS 21 1.938 1.308 -1.823
152 HA LYS 21 HA LYS 21 1.042 2.444 -0.132
153 HB2 LYS 21 2HB LYS 21 2.059 4.234 -1.553
154 HB3 LYS 21 1HB LYS 21 0.455 4.562 -2.226
155 HG2 LYS 21 2HG LYS 21 -0.350 5.042 0.113
156 HG3 LYS 21 1HG LYS 21 1.325 4.842 0.656
157 HD2 LYS 21 2HD LYS 21 1.989 6.718 -0.857
158 HD3 LYS 21 1HD LYS 21 0.292 6.933 -1.305
159 HE2 LYS 21 2HE LYS 21 0.958 8.564 0.401
160 HE3 LYS 21 1HE LYS 21 -0.253 7.454 1.039
161 HZ1 LYS 21 3HZ LYS 21 2.675 7.311 1.536
162 HZ2 LYS 21 1HZ LYS 21 1.525 6.212 2.125
163 HZ3 LYS 21 2HZ LYS 21 1.493 7.823 2.634
164 H ARG 22 H ARG 22 -1.239 3.476 -2.668
165 HA ARG 22 HA ARG 22 -3.494 3.935 -1.208
166 HB2 ARG 22 2HB ARG 22 -2.946 4.418 -3.706
167 HB3 ARG 22 1HB ARG 22 -3.622 2.832 -4.029
168 HG2 ARG 22 2HG ARG 22 -5.304 4.525 -4.434
169 HG3 ARG 22 1HG ARG 22 -5.777 3.565 -3.029
170 HD2 ARG 22 2HD ARG 22 -4.960 5.342 -1.522
171 HD3 ARG 22 1HD ARG 22 -4.427 6.288 -2.917
172 HE ARG 22 HE ARG 22 -7.243 5.631 -2.918
173 HH11 ARG 22 1HH1 ARG 22 -4.855 7.973 -1.850
174 HH12 ARG 22 2HH1 ARG 22 -6.003 9.258 -1.712
175 HH21 ARG 22 1HH2 ARG 22 -8.743 7.327 -2.701
176 HH22 ARG 22 2HH2 ARG 22 -8.207 8.894 -2.193
177 H ARG 23 H ARG 23 -2.304 0.829 -2.278
178 HA ARG 23 HA ARG 23 -4.456 -0.885 -1.853
179 HB2 ARG 23 2HB ARG 23 -1.512 -1.293 -1.176
180 HB3 ARG 23 1HB ARG 23 -2.706 -2.585 -1.190
181 HG2 ARG 23 2HG ARG 23 -1.948 -0.907 -3.603
182 HG3 ARG 23 1HG ARG 23 -1.281 -2.497 -3.223
183 HD2 ARG 23 2HD ARG 23 -3.597 -3.447 -3.342
184 HD3 ARG 23 1HD ARG 23 -4.188 -1.862 -3.847
185 HE ARG 23 HE ARG 23 -2.955 -2.075 -5.876
186 HH11 ARG 23 1HH1 ARG 23 -3.122 -5.048 -4.018
187 HH12 ARG 23 2HH1 ARG 23 -2.721 -6.054 -5.369
188 HH21 ARG 23 1HH2 ARG 23 -2.334 -3.405 -7.620
189 HH22 ARG 23 2HH2 ARG 23 -2.277 -5.124 -7.408
190 H GLU 24 H GLU 24 -5.773 -0.737 -0.165
191 HA GLU 24 HA GLU 24 -5.157 0.279 2.415
192 HB2 GLU 24 2HB GLU 24 -7.431 0.302 1.293
193 HB3 GLU 24 1HB GLU 24 -7.553 -1.425 1.580
194 HG2 GLU 24 2HG GLU 24 -8.844 -0.183 3.242
195 HG3 GLU 24 1HG GLU 24 -7.508 -1.040 4.015
196 H LYS 25 H LYS 25 -5.097 -2.885 1.001
197 HA LYS 25 HA LYS 25 -4.084 -4.079 3.520
198 HB2 LYS 25 2HB LYS 25 -5.489 -5.493 1.209
199 HB3 LYS 25 1HB LYS 25 -4.880 -6.258 2.675
200 HG2 LYS 25 2HG LYS 25 -6.557 -5.073 4.013
201 HG3 LYS 25 1HG LYS 25 -7.153 -4.251 2.562
202 HD2 LYS 25 2HD LYS 25 -7.774 -6.454 1.580
203 HD3 LYS 25 1HD LYS 25 -7.182 -7.267 3.033
204 HE2 LYS 25 2HE LYS 25 -8.891 -6.099 4.365
205 HE3 LYS 25 1HE LYS 25 -9.486 -5.302 2.908
206 HZ1 LYS 25 3HZ LYS 25 -9.501 -8.225 3.445
207 HZ2 LYS 25 1HZ LYS 25 -10.006 -7.497 2.003
208 HZ3 LYS 25 2HZ LYS 25 -10.847 -7.196 3.439
209 H CYS 26 H CYS 26 -2.498 -5.888 3.056
210 HA CYS 26 HA CYS 26 -0.556 -5.380 1.039
211 HB2 CYS 26 2HB CYS 26 -1.110 -7.742 2.845
212 HB3 CYS 26 1HB CYS 26 0.081 -7.878 1.558
213 H PHE 27 H PHE 27 -0.212 -6.390 -0.940
214 HA PHE 27 HA PHE 27 -2.543 -7.062 -2.460
215 HB2 PHE 27 2HB PHE 27 -0.913 -7.227 -4.382
216 HB3 PHE 27 1HB PHE 27 -0.864 -5.711 -3.508
217 HD1 PHE 27 1HD PHE 27 0.971 -8.918 -4.013
218 HD2 PHE 27 2HD PHE 27 1.156 -4.930 -2.472
219 HE1 PHE 27 1HE PHE 27 3.403 -9.122 -3.767
220 HE2 PHE 27 2HE PHE 27 3.588 -5.155 -2.222
221 HZ PHE 27 HZ PHE 27 4.714 -7.244 -2.870
222 H LYS 28 H LYS 28 -1.103 -9.044 -0.378
223 HA LYS 28 HA LYS 28 -1.735 -11.478 -1.812
224 HB2 LYS 28 2HB LYS 28 0.572 -12.453 -1.319
225 HB3 LYS 28 1HB LYS 28 0.498 -11.258 -2.595
226 HG2 LYS 28 2HG LYS 28 2.399 -10.545 -1.516
227 HG3 LYS 28 1HG LYS 28 1.212 -9.561 -0.671
228 HD2 LYS 28 2HD LYS 28 2.823 -10.524 0.895
229 HD3 LYS 28 1HD LYS 28 1.234 -11.231 1.182
230 HE2 LYS 28 2HE LYS 28 1.909 -13.263 -0.058
231 HE3 LYS 28 1HE LYS 28 3.489 -12.544 -0.375
232 HZ1 LYS 28 3HZ LYS 28 3.983 -12.569 1.933
233 HZ2 LYS 28 1HZ LYS 28 3.465 -14.116 1.495
234 HZ3 LYS 28 2HZ LYS 28 2.424 -13.083 2.334
235 H CYS 29 H CYS 29 -0.359 -10.056 1.220
236 HA CYS 29 HA CYS 29 -1.260 -12.322 2.787
237 HB2 CYS 29 2HB CYS 29 0.879 -11.288 3.249
238 HB3 CYS 29 1HB CYS 29 0.124 -9.721 3.502
239 H GLY 30 H GLY 30 -2.347 -8.999 2.183
240 HA2 GLY 30 2HA GLY 30 -4.402 -8.022 2.523
241 HA3 GLY 30 1HA GLY 30 -4.995 -9.570 3.105
242 H VAL 31 H VAL 31 -2.227 -7.908 4.602
243 HA VAL 31 HA VAL 31 -3.657 -7.637 7.107
244 HB VAL 31 HB VAL 31 -1.203 -8.181 7.058
245 HG11 VAL 31 1HG1 VAL 31 -0.814 -5.301 6.178
246 HG12 VAL 31 2HG1 VAL 31 -0.444 -6.748 5.237
247 HG13 VAL 31 3HG1 VAL 31 0.469 -6.397 6.703
248 HG21 VAL 31 3HG2 VAL 31 -2.199 -7.310 9.122
249 HG22 VAL 31 1HG2 VAL 31 -1.893 -5.651 8.597
250 HG23 VAL 31 2HG2 VAL 31 -0.541 -6.731 8.951
251 HA PRO 32 HA PRO 32 -5.347 -3.569 6.114
252 HB2 PRO 32 2HB PRO 32 -5.850 -2.693 8.733
253 HB3 PRO 32 1HB PRO 32 -6.927 -3.765 7.811
254 HG2 PRO 32 2HG PRO 32 -4.845 -4.494 9.860
255 HG3 PRO 32 1HG PRO 32 -6.499 -5.125 9.662
256 HD2 PRO 32 2HD PRO 32 -4.400 -6.537 8.775
257 HD3 PRO 32 1HD PRO 32 -5.910 -6.489 7.837
258 H LYS 33 H LYS 33 -4.549 -1.550 5.853
259 HA LYS 33 HA LYS 33 -1.854 -0.912 6.386
260 HB2 LYS 33 2HB LYS 33 -3.188 0.031 4.468
261 HB3 LYS 33 1HB LYS 33 -4.060 1.048 5.612
262 HG2 LYS 33 2HG LYS 33 -1.851 2.076 6.267
263 HG3 LYS 33 1HG LYS 33 -1.089 1.134 4.992
264 HD2 LYS 33 2HD LYS 33 -1.384 3.307 4.100
265 HD3 LYS 33 1HD LYS 33 -2.635 2.318 3.352
266 HE2 LYS 33 2HE LYS 33 -3.202 3.989 5.812
267 HE3 LYS 33 1HE LYS 33 -3.285 4.671 4.195
268 HZ1 LYS 33 3HZ LYS 33 -4.939 2.962 3.646
269 HZ2 LYS 33 1HZ LYS 33 -5.445 3.987 4.890
270 HZ3 LYS 33 2HZ LYS 33 -4.906 2.427 5.248
271 H SER 34 H SER 34 -4.707 -0.458 8.301
272 HA SER 34 HA SER 34 -4.005 1.727 9.918
273 HB2 SER 34 2HB SER 34 -6.278 0.699 9.803
274 HB3 SER 34 1HB SER 34 -5.674 -0.712 10.664
275 HG SER 34 HG SER 34 -5.070 1.566 12.006
276 H GLU 35 H GLU 35 -2.860 -1.562 9.943
277 HA GLU 35 HA GLU 35 -1.386 -1.163 12.481
278 HB2 GLU 35 2HB GLU 35 -2.342 -3.794 11.267
279 HB3 GLU 35 1HB GLU 35 -1.497 -3.597 12.805
280 HG2 GLU 35 2HG GLU 35 -3.405 -2.214 13.632
281 HG3 GLU 35 1HG GLU 35 -4.262 -2.540 12.128
282 H ALA 36 H ALA 36 -1.029 -1.418 9.135
283 HA ALA 36 HA ALA 36 1.745 -2.325 9.147
284 HB1 ALA 36 1HB ALA 36 1.698 -1.709 6.747
285 HB2 ALA 36 2HB ALA 36 0.079 -1.033 6.960
286 HB3 ALA 36 3HB ALA 36 0.348 -2.763 7.181
287 H GLU 37 H GLU 37 -0.076 0.674 8.973
288 HA GLU 37 HA GLU 37 2.200 2.419 9.394
289 HB2 GLU 37 2HB GLU 37 -0.828 2.864 9.444
290 HB3 GLU 37 1HB GLU 37 0.344 4.152 9.723
291 HG2 GLU 37 2HG GLU 37 0.064 2.533 7.163
292 HG3 GLU 37 1HG GLU 37 -0.544 4.171 7.416
293 H GLN 38 H GLN 38 1.285 4.085 11.455
294 HA GLN 38 HA GLN 38 1.775 2.587 13.815
295 HB2 GLN 38 2HB GLN 38 1.392 4.666 15.035
296 HB3 GLN 38 1HB GLN 38 2.430 4.955 13.653
297 HG2 GLN 38 2HG GLN 38 0.585 5.996 12.436
298 HG3 GLN 38 1HG GLN 38 -0.538 5.610 13.736
299 HE21 GLN 38 1HE2 GLN 38 -0.312 6.722 15.746
300 HE22 GLN 38 2HE2 GLN 38 0.479 8.256 15.834
301 H LYS 39 H LYS 39 0.361 1.409 14.978
302 HA LYS 39 HA LYS 39 -2.437 1.281 14.560
303 HB2 LYS 39 2HB LYS 39 -0.759 0.431 16.964
304 HB3 LYS 39 1HB LYS 39 -2.478 0.076 16.796
305 HG2 LYS 39 2HG LYS 39 -2.006 -1.272 14.778
306 HG3 LYS 39 1HG LYS 39 -0.282 -0.909 14.946
307 HD2 LYS 39 2HD LYS 39 -0.267 -2.036 17.159
308 HD3 LYS 39 1HD LYS 39 -1.982 -2.413 16.977
309 HE2 LYS 39 2HE LYS 39 -0.602 -4.372 16.440
310 HE3 LYS 39 1HE LYS 39 -1.456 -3.806 15.004
311 HZ1 LYS 39 3HZ LYS 39 0.520 -2.818 14.176
312 HZ2 LYS 39 1HZ LYS 39 0.915 -4.396 14.647
313 HZ3 LYS 39 2HZ LYS 39 1.352 -3.084 15.623
314 H LEU 40 H LEU 40 -4.104 2.332 15.562
315 HA LEU 40 HA LEU 40 -3.547 4.865 16.834
316 HB2 LEU 40 2HB LEU 40 -6.196 3.478 16.201
317 HB3 LEU 40 1HB LEU 40 -6.054 5.104 16.840
318 HG LEU 40 HG LEU 40 -4.757 5.703 14.690
319 HD11 LEU 40 1HD1 LEU 40 -5.095 4.326 12.697
320 HD12 LEU 40 2HD1 LEU 40 -5.885 3.084 13.675
321 HD13 LEU 40 3HD1 LEU 40 -4.179 3.456 13.928
322 HD21 LEU 40 3HD2 LEU 40 -7.672 4.919 14.401
323 HD22 LEU 40 1HD2 LEU 40 -6.790 6.038 13.355
324 HD23 LEU 40 2HD2 LEU 40 -7.055 6.441 15.050
325 HA PRO 41 HA PRO 41 -4.162 3.229 21.083
326 HB2 PRO 41 2HB PRO 41 -4.692 6.066 21.857
327 HB3 PRO 41 1HB PRO 41 -3.420 4.967 22.431
328 HG2 PRO 41 2HG PRO 41 -2.828 7.033 20.830
329 HG3 PRO 41 1HG PRO 41 -1.990 5.471 20.677
330 HD2 PRO 41 2HD PRO 41 -4.249 6.556 18.983
331 HD3 PRO 41 1HD PRO 41 -2.745 5.753 18.470
332 H LEU 42 H LEU 42 -6.129 2.308 20.055
333 HA LEU 42 HA LEU 42 -8.639 3.829 20.249
334 HB2 LEU 42 2HB LEU 42 -7.715 2.386 18.181
335 HB3 LEU 42 1HB LEU 42 -8.428 1.051 19.060
336 HG LEU 42 HG LEU 42 -9.969 3.497 18.097
337 HD11 LEU 42 1HD1 LEU 42 -9.152 2.239 16.193
338 HD12 LEU 42 2HD1 LEU 42 -10.898 2.053 16.343
339 HD13 LEU 42 3HD1 LEU 42 -9.823 0.744 16.850
340 HD21 LEU 42 3HD2 LEU 42 -11.059 2.442 20.025
341 HD22 LEU 42 1HD2 LEU 42 -11.016 0.872 19.219
342 HD23 LEU 42 2HD2 LEU 42 -12.008 2.180 18.563
343 H GLY 43 H GLY 43 -7.249 0.675 21.152
344 HA2 GLY 43 2HA GLY 43 -9.228 0.245 23.284
345 HA3 GLY 43 1HA GLY 43 -8.005 -0.890 22.728
Start of MODEL 3
1 H1 GLY 1 H GLY 1 7.444 10.344 -12.593
2 HA2 GLY 1 1HA GLY 1 7.294 8.190 -10.737
3 HA3 GLY 1 2HA GLY 1 8.134 7.625 -12.168
4 H HIS 2 H HIS 2 9.572 7.485 -10.018
5 HA HIS 2 HA HIS 2 11.615 7.846 -9.214
6 HB2 HIS 2 2HB HIS 2 12.209 8.227 -11.636
7 HB3 HIS 2 1HB HIS 2 12.007 9.952 -11.377
8 HD1 HIS 2 1HD HIS 2 14.042 11.186 -10.521
9 HD2 HIS 2 2HD HIS 2 14.435 7.072 -10.102
10 HE1 HIS 2 1HE HIS 2 16.408 10.812 -9.790
11 HE2 HIS 2 2HE HIS 2 16.635 8.312 -9.546
12 H MET 3 H MET 3 9.192 9.900 -8.730
13 HA MET 3 HA MET 3 10.642 11.431 -6.710
14 HB2 MET 3 2HB MET 3 9.570 13.594 -7.367
15 HB3 MET 3 1HB MET 3 10.705 12.993 -8.561
16 HG2 MET 3 2HG MET 3 8.860 12.249 -9.988
17 HG3 MET 3 1HG MET 3 7.689 12.768 -8.771
18 HE1 MET 3 3HE MET 3 7.053 15.479 -11.500
19 HE2 MET 3 1HE MET 3 6.337 14.280 -10.422
20 HE3 MET 3 2HE MET 3 7.366 13.760 -11.756
21 HA PRO 4 HA PRO 4 6.536 10.150 -5.024
22 HB2 PRO 4 2HB PRO 4 7.279 8.208 -3.302
23 HB3 PRO 4 1HB PRO 4 7.154 7.880 -5.044
24 HG2 PRO 4 2HG PRO 4 9.605 8.221 -3.375
25 HG3 PRO 4 1HG PRO 4 9.353 7.237 -4.832
26 HD2 PRO 4 2HD PRO 4 10.545 9.845 -4.709
27 HD3 PRO 4 1HD PRO 4 10.154 8.912 -6.170
28 H LYS 5 H LYS 5 6.943 12.434 -4.371
29 HA LYS 5 HA LYS 5 8.506 13.212 -2.151
30 HB2 LYS 5 2HB LYS 5 6.065 14.599 -3.336
31 HB3 LYS 5 1HB LYS 5 7.216 15.337 -2.224
32 HG2 LYS 5 2HG LYS 5 9.008 15.071 -3.921
33 HG3 LYS 5 1HG LYS 5 7.827 14.361 -5.032
34 HD2 LYS 5 2HD LYS 5 6.529 16.460 -5.025
35 HD3 LYS 5 1HD LYS 5 7.655 17.170 -3.865
36 HE2 LYS 5 2HE LYS 5 9.471 16.975 -5.561
37 HE3 LYS 5 1HE LYS 5 8.289 16.354 -6.721
38 HZ1 LYS 5 3HZ LYS 5 8.142 19.007 -5.392
39 HZ2 LYS 5 1HZ LYS 5 7.084 18.415 -6.569
40 HZ3 LYS 5 2HZ LYS 5 8.694 18.739 -6.969
41 H ILE 6 H ILE 6 4.967 12.832 -2.395
42 HA ILE 6 HA ILE 6 4.715 12.919 0.546
43 HB ILE 6 HB ILE 6 2.325 13.305 0.194
44 HG12 ILE 6 2HG1 ILE 6 2.883 13.046 -2.810
45 HG13 ILE 6 1HG1 ILE 6 1.963 11.908 -1.834
46 HG21 ILE 6 1HG2 ILE 6 2.438 15.525 -0.896
47 HG22 ILE 6 2HG2 ILE 6 4.012 15.122 -1.584
48 HG23 ILE 6 3HG2 ILE 6 3.820 15.258 0.164
49 HD11 ILE 6 3HD1 ILE 6 0.510 13.311 -3.161
50 HD12 ILE 6 1HD1 ILE 6 1.178 14.763 -2.420
51 HD13 ILE 6 2HD1 ILE 6 0.253 13.616 -1.445
52 H ASN 7 H ASN 7 5.208 10.569 -1.703
53 HA ASN 7 HA ASN 7 3.480 8.551 -0.388
54 HB2 ASN 7 2HB ASN 7 3.234 8.638 -2.845
55 HB3 ASN 7 1HB ASN 7 4.971 8.416 -3.050
56 HD21 ASN 7 1HD2 ASN 7 4.983 6.458 -4.068
57 HD22 ASN 7 2HD2 ASN 7 4.347 4.996 -3.388
58 H GLU 8 H GLU 8 4.528 7.646 1.270
59 HA GLU 8 HA GLU 8 7.395 6.945 1.158
60 HB2 GLU 8 2HB GLU 8 6.522 8.064 3.205
61 HB3 GLU 8 1HB GLU 8 5.343 6.780 3.420
62 HG2 GLU 8 2HG GLU 8 7.132 6.445 4.991
63 HG3 GLU 8 1HG GLU 8 7.208 5.164 3.787
64 H ASP 9 H ASP 9 4.286 5.570 0.612
65 HA ASP 9 HA ASP 9 3.315 3.552 0.495
66 HB2 ASP 9 2HB ASP 9 6.170 2.625 0.098
67 HB3 ASP 9 1HB ASP 9 4.778 1.575 -0.129
68 H TRP 10 H TRP 10 3.948 1.001 1.468
69 HA TRP 10 HA TRP 10 4.997 1.302 4.174
70 HB2 TRP 10 2HB TRP 10 3.077 0.014 5.175
71 HB3 TRP 10 1HB TRP 10 2.678 1.638 4.651
72 HD1 TRP 10 HD TRP 10 0.939 1.897 2.626
73 HE1 TRP 10 1HE TRP 10 -0.816 0.287 1.658
74 HE3 TRP 10 3HE TRP 10 2.707 -2.501 4.545
75 HZ2 TRP 10 2HZ TRP 10 -1.375 -2.462 1.686
76 HZ3 TRP 10 3HZ TRP 10 1.502 -4.577 4.014
77 HH2 TRP 10 HH TRP 10 -0.494 -4.554 2.615
78 H LEU 11 H LEU 11 5.537 -0.592 5.189
79 HA LEU 11 HA LEU 11 6.203 -2.877 3.423
80 HB2 LEU 11 2HB LEU 11 8.009 -1.306 4.638
81 HB3 LEU 11 1HB LEU 11 7.582 -2.217 6.069
82 HG LEU 11 HG LEU 11 9.647 -3.071 5.085
83 HD11 LEU 11 1HD1 LEU 11 7.436 -5.083 4.652
84 HD12 LEU 11 2HD1 LEU 11 8.222 -4.714 6.188
85 HD13 LEU 11 3HD1 LEU 11 9.152 -5.437 4.879
86 HD21 LEU 11 3HD2 LEU 11 8.078 -3.617 2.551
87 HD22 LEU 11 1HD2 LEU 11 9.762 -4.055 2.852
88 HD23 LEU 11 2HD2 LEU 11 9.296 -2.359 2.771
89 H CYS 12 H CYS 12 4.963 -4.643 3.884
90 HA CYS 12 HA CYS 12 3.084 -4.848 5.944
91 HB2 CYS 12 2HB CYS 12 2.824 -6.205 3.922
92 HB3 CYS 12 1HB CYS 12 4.297 -7.097 4.265
93 H ASN 13 H ASN 13 3.036 -6.094 7.812
94 HA ASN 13 HA ASN 13 5.628 -6.755 9.079
95 HB2 ASN 13 2HB ASN 13 4.169 -6.810 11.214
96 HB3 ASN 13 1HB ASN 13 4.412 -5.241 10.454
97 HD21 ASN 13 1HD2 ASN 13 2.692 -4.224 9.430
98 HD22 ASN 13 2HD2 ASN 13 1.057 -4.699 9.696
99 H LYS 14 H LYS 14 2.737 -8.131 7.806
100 HA LYS 14 HA LYS 14 2.985 -10.702 9.112
101 HB2 LYS 14 2HB LYS 14 1.147 -9.803 6.855
102 HB3 LYS 14 1HB LYS 14 1.075 -11.374 7.655
103 HG2 LYS 14 2HG LYS 14 0.641 -10.185 9.822
104 HG3 LYS 14 1HG LYS 14 0.561 -8.665 8.923
105 HD2 LYS 14 2HD LYS 14 -1.365 -9.538 7.622
106 HD3 LYS 14 1HD LYS 14 -1.271 -11.070 8.497
107 HE2 LYS 14 2HE LYS 14 -1.817 -9.911 10.604
108 HE3 LYS 14 1HE LYS 14 -1.855 -8.365 9.756
109 HZ1 LYS 14 3HZ LYS 14 -3.666 -10.656 9.242
110 HZ2 LYS 14 1HZ LYS 14 -3.709 -9.163 8.449
111 HZ3 LYS 14 2HZ LYS 14 -4.065 -9.258 10.099
112 H CYS 15 H CYS 15 2.867 -9.992 5.521
113 HA CYS 15 HA CYS 15 4.615 -12.285 5.063
114 HB2 CYS 15 2HB CYS 15 4.300 -11.620 2.625
115 HB3 CYS 15 1HB CYS 15 2.832 -12.039 3.504
116 H GLY 16 H GLY 16 4.996 -8.867 5.438
117 HA2 GLY 16 2HA GLY 16 6.915 -7.612 5.631
118 HA3 GLY 16 1HA GLY 16 7.856 -9.073 5.396
119 H VAL 17 H VAL 17 5.455 -7.799 3.177
120 HA VAL 17 HA VAL 17 7.481 -7.528 1.045
121 HB VAL 17 HB VAL 17 5.566 -7.579 -0.530
122 HG11 VAL 17 1HG1 VAL 17 4.797 -9.910 -0.129
123 HG12 VAL 17 2HG1 VAL 17 5.421 -9.830 1.519
124 HG13 VAL 17 3HG1 VAL 17 6.533 -9.742 0.154
125 HG21 VAL 17 3HG2 VAL 17 3.248 -7.957 0.297
126 HG22 VAL 17 1HG2 VAL 17 3.884 -6.398 0.824
127 HG23 VAL 17 2HG2 VAL 17 3.809 -7.751 1.957
128 H GLN 18 H GLN 18 7.353 -5.679 -0.407
129 HA GLN 18 HA GLN 18 6.529 -3.176 0.918
130 HB2 GLN 18 2HB GLN 18 8.894 -3.390 0.042
131 HB3 GLN 18 1HB GLN 18 8.252 -3.525 -1.590
132 HG2 GLN 18 2HG GLN 18 7.647 -1.112 0.142
133 HG3 GLN 18 1HG GLN 18 9.154 -1.227 -0.757
134 HE21 GLN 18 1HE2 GLN 18 6.919 0.696 -1.012
135 HE22 GLN 18 2HE2 GLN 18 6.393 0.616 -2.654
136 H ASN 19 H ASN 19 4.455 -2.819 0.543
137 HA ASN 19 HA ASN 19 3.329 -3.162 -2.177
138 HB2 ASN 19 2HB ASN 19 2.097 -3.195 0.577
139 HB3 ASN 19 1HB ASN 19 1.110 -2.636 -0.767
140 HD21 ASN 19 1HD2 ASN 19 3.577 -5.149 -1.003
141 HD22 ASN 19 2HD2 ASN 19 2.486 -6.428 -1.312
142 H PHE 20 H PHE 20 1.785 -1.521 -2.865
143 HA PHE 20 HA PHE 20 2.669 1.158 -2.799
144 HB2 PHE 20 2HB PHE 20 -0.065 -0.009 -3.546
145 HB3 PHE 20 1HB PHE 20 0.400 1.667 -3.824
146 HD1 PHE 20 1HD PHE 20 1.597 -1.830 -4.633
147 HD2 PHE 20 2HD PHE 20 1.237 2.232 -5.943
148 HE1 PHE 20 1HE PHE 20 2.487 -2.457 -6.836
149 HE2 PHE 20 2HE PHE 20 2.138 1.593 -8.142
150 HZ PHE 20 HZ PHE 20 2.758 -0.749 -8.595
151 H LYS 21 H LYS 21 1.817 2.956 -1.648
152 HA LYS 21 HA LYS 21 0.580 2.555 0.855
153 HB2 LYS 21 2HB LYS 21 1.994 4.580 0.010
154 HB3 LYS 21 1HB LYS 21 0.490 5.173 -0.684
155 HG2 LYS 21 2HG LYS 21 -0.547 5.272 1.510
156 HG3 LYS 21 1HG LYS 21 0.850 4.477 2.237
157 HD2 LYS 21 2HD LYS 21 0.878 6.873 2.697
158 HD3 LYS 21 1HD LYS 21 2.261 6.412 1.706
159 HE2 LYS 21 2HE LYS 21 1.274 7.387 -0.260
160 HE3 LYS 21 1HE LYS 21 -0.285 7.581 0.546
161 HZ1 LYS 21 3HZ LYS 21 0.919 9.658 0.419
162 HZ2 LYS 21 1HZ LYS 21 2.211 8.991 1.283
163 HZ3 LYS 21 2HZ LYS 21 0.707 9.184 2.028
164 H ARG 22 H ARG 22 -0.564 3.127 -2.394
165 HA ARG 22 HA ARG 22 -3.291 3.705 -1.956
166 HB2 ARG 22 2HB ARG 22 -1.985 2.223 -4.270
167 HB3 ARG 22 1HB ARG 22 -3.595 2.928 -4.308
168 HG2 ARG 22 2HG ARG 22 -0.942 4.390 -4.129
169 HG3 ARG 22 1HG ARG 22 -2.096 4.419 -5.467
170 HD2 ARG 22 2HD ARG 22 -2.493 5.597 -2.691
171 HD3 ARG 22 1HD ARG 22 -2.239 6.501 -4.187
172 HE ARG 22 HE ARG 22 -4.471 4.972 -4.655
173 HH11 ARG 22 1HH1 ARG 22 -3.637 7.429 -2.279
174 HH12 ARG 22 2HH1 ARG 22 -5.277 7.947 -2.073
175 HH21 ARG 22 1HH2 ARG 22 -6.598 5.623 -4.322
176 HH22 ARG 22 2HH2 ARG 22 -6.961 6.922 -3.232
177 H ARG 23 H ARG 23 -1.528 0.688 -1.833
178 HA ARG 23 HA ARG 23 -3.631 -1.188 -1.839
179 HB2 ARG 23 2HB ARG 23 -0.867 -1.178 -0.596
180 HB3 ARG 23 1HB ARG 23 -1.944 -2.541 -0.373
181 HG2 ARG 23 2HG ARG 23 -1.237 -1.580 -3.152
182 HG3 ARG 23 1HG ARG 23 -0.151 -2.637 -2.251
183 HD2 ARG 23 2HD ARG 23 -1.565 -3.980 -3.721
184 HD3 ARG 23 1HD ARG 23 -1.965 -4.315 -2.034
185 HE ARG 23 HE ARG 23 -3.582 -2.479 -3.710
186 HH11 ARG 23 1HH1 ARG 23 -3.457 -5.233 -1.521
187 HH12 ARG 23 2HH1 ARG 23 -5.181 -5.386 -1.438
188 HH21 ARG 23 1HH2 ARG 23 -5.823 -2.664 -3.553
189 HH22 ARG 23 2HH2 ARG 23 -6.529 -3.925 -2.592
190 H GLU 24 H GLU 24 -5.333 -1.100 -0.530
191 HA GLU 24 HA GLU 24 -5.412 0.171 2.043
192 HB2 GLU 24 2HB GLU 24 -7.342 -0.074 0.356
193 HB3 GLU 24 1HB GLU 24 -7.459 -1.759 0.828
194 HG2 GLU 24 2HG GLU 24 -7.808 0.530 2.796
195 HG3 GLU 24 1HG GLU 24 -9.145 -0.120 1.853
196 H LYS 25 H LYS 25 -5.069 -3.135 0.841
197 HA LYS 25 HA LYS 25 -3.855 -3.948 3.399
198 HB2 LYS 25 2HB LYS 25 -5.888 -5.580 1.811
199 HB3 LYS 25 1HB LYS 25 -4.877 -6.268 3.078
200 HG2 LYS 25 2HG LYS 25 -5.935 -4.824 4.751
201 HG3 LYS 25 1HG LYS 25 -6.913 -4.041 3.505
202 HD2 LYS 25 2HD LYS 25 -7.048 -6.978 4.310
203 HD3 LYS 25 1HD LYS 25 -8.208 -5.728 4.772
204 HE2 LYS 25 2HE LYS 25 -8.856 -5.430 2.419
205 HE3 LYS 25 1HE LYS 25 -7.640 -6.606 1.912
206 HZ1 LYS 25 3HZ LYS 25 -9.832 -7.577 2.004
207 HZ2 LYS 25 1HZ LYS 25 -9.973 -7.186 3.646
208 HZ3 LYS 25 2HZ LYS 25 -8.807 -8.303 3.138
209 H CYS 26 H CYS 26 -2.788 -6.318 2.842
210 HA CYS 26 HA CYS 26 -0.713 -5.816 0.964
211 HB2 CYS 26 2HB CYS 26 -1.570 -8.287 2.470
212 HB3 CYS 26 1HB CYS 26 -0.246 -8.352 1.304
213 H PHE 27 H PHE 27 -0.169 -7.069 -0.943
214 HA PHE 27 HA PHE 27 -2.314 -7.240 -2.799
215 HB2 PHE 27 2HB PHE 27 -0.669 -7.645 -4.469
216 HB3 PHE 27 1HB PHE 27 0.084 -6.569 -3.304
217 HD1 PHE 27 1HD PHE 27 1.526 -7.809 -1.397
218 HD2 PHE 27 2HD PHE 27 0.612 -9.490 -5.222
219 HE1 PHE 27 1HE PHE 27 3.471 -9.292 -1.226
220 HE2 PHE 27 2HE PHE 27 2.561 -10.965 -5.033
221 HZ PHE 27 HZ PHE 27 3.996 -10.871 -3.037
222 H LYS 28 H LYS 28 -1.269 -9.572 -0.540
223 HA LYS 28 HA LYS 28 -2.912 -11.619 -1.750
224 HB2 LYS 28 2HB LYS 28 -1.122 -13.349 -1.891
225 HB3 LYS 28 1HB LYS 28 -0.852 -12.008 -2.983
226 HG2 LYS 28 2HG LYS 28 1.291 -12.210 -2.206
227 HG3 LYS 28 1HG LYS 28 0.684 -11.122 -0.964
228 HD2 LYS 28 2HD LYS 28 0.261 -13.131 0.492
229 HD3 LYS 28 1HD LYS 28 0.966 -14.155 -0.758
230 HE2 LYS 28 2HE LYS 28 3.119 -12.933 -0.502
231 HE3 LYS 28 1HE LYS 28 2.392 -11.959 0.783
232 HZ1 LYS 28 3HZ LYS 28 3.664 -13.785 1.695
233 HZ2 LYS 28 1HZ LYS 28 2.743 -14.907 0.818
234 HZ3 LYS 28 2HZ LYS 28 2.021 -13.995 2.046
235 H CYS 29 H CYS 29 -0.648 -10.783 0.935
236 HA CYS 29 HA CYS 29 -1.439 -13.011 2.579
237 HB2 CYS 29 2HB CYS 29 0.812 -12.078 2.659
238 HB3 CYS 29 1HB CYS 29 0.182 -10.507 3.151
239 H GLY 30 H GLY 30 -1.528 -9.599 3.595
240 HA2 GLY 30 2HA GLY 30 -3.692 -8.420 3.448
241 HA3 GLY 30 1HA GLY 30 -4.438 -9.841 4.149
242 H VAL 31 H VAL 31 -1.817 -7.477 4.873
243 HA VAL 31 HA VAL 31 -3.061 -7.138 7.544
244 HB VAL 31 HB VAL 31 -0.555 -7.460 7.554
245 HG11 VAL 31 1HG1 VAL 31 -0.414 -4.790 6.114
246 HG12 VAL 31 2HG1 VAL 31 0.050 -6.358 5.452
247 HG13 VAL 31 3HG1 VAL 31 0.955 -5.670 6.800
248 HG21 VAL 31 3HG2 VAL 31 -0.045 -5.600 9.102
249 HG22 VAL 31 1HG2 VAL 31 -1.653 -6.260 9.403
250 HG23 VAL 31 2HG2 VAL 31 -1.474 -4.730 8.545
251 HA PRO 32 HA PRO 32 -4.994 -3.425 5.785
252 HB2 PRO 32 2HB PRO 32 -5.534 -2.094 8.186
253 HB3 PRO 32 1HB PRO 32 -6.566 -3.367 7.496
254 HG2 PRO 32 2HG PRO 32 -4.486 -3.585 9.646
255 HG3 PRO 32 1HG PRO 32 -6.093 -4.342 9.548
256 HD2 PRO 32 2HD PRO 32 -3.847 -5.733 8.969
257 HD3 PRO 32 1HD PRO 32 -5.363 -6.019 8.087
258 H LYS 33 H LYS 33 -4.392 -1.345 5.388
259 HA LYS 33 HA LYS 33 -1.667 -0.654 5.456
260 HB2 LYS 33 2HB LYS 33 -3.269 0.069 3.700
261 HB3 LYS 33 1HB LYS 33 -4.122 1.049 4.884
262 HG2 LYS 33 2HG LYS 33 -1.821 2.276 5.168
263 HG3 LYS 33 1HG LYS 33 -1.409 1.511 3.636
264 HD2 LYS 33 2HD LYS 33 -2.231 3.760 3.246
265 HD3 LYS 33 1HD LYS 33 -3.382 2.591 2.586
266 HE2 LYS 33 2HE LYS 33 -4.852 2.891 4.510
267 HE3 LYS 33 1HE LYS 33 -3.658 3.921 5.304
268 HZ1 LYS 33 3HZ LYS 33 -5.068 4.537 2.779
269 HZ2 LYS 33 1HZ LYS 33 -3.923 5.527 3.538
270 HZ3 LYS 33 2HZ LYS 33 -5.402 5.207 4.294
271 H SER 34 H SER 34 -4.435 0.300 7.421
272 HA SER 34 HA SER 34 -3.342 2.387 8.937
273 HB2 SER 34 2HB SER 34 -5.756 1.871 8.880
274 HB3 SER 34 1HB SER 34 -5.467 0.326 9.687
275 HG SER 34 HG SER 34 -4.930 1.420 11.544
276 H GLU 35 H GLU 35 -2.917 -1.065 9.140
277 HA GLU 35 HA GLU 35 -1.445 -0.921 11.702
278 HB2 GLU 35 2HB GLU 35 -3.383 -2.540 11.436
279 HB3 GLU 35 1HB GLU 35 -2.481 -3.352 10.163
280 HG2 GLU 35 2HG GLU 35 -0.754 -4.009 11.781
281 HG3 GLU 35 1HG GLU 35 -1.591 -3.130 13.055
282 H ALA 36 H ALA 36 -0.335 0.090 9.197
283 HA ALA 36 HA ALA 36 2.235 -1.279 9.221
284 HB1 ALA 36 1HB ALA 36 0.702 -1.006 6.602
285 HB2 ALA 36 2HB ALA 36 0.993 -2.527 7.457
286 HB3 ALA 36 3HB ALA 36 2.351 -1.614 6.793
287 H GLU 37 H GLU 37 0.556 0.935 7.001
288 HA GLU 37 HA GLU 37 2.544 3.012 7.140
289 HB2 GLU 37 2HB GLU 37 0.685 2.313 5.261
290 HB3 GLU 37 1HB GLU 37 -0.230 3.574 6.070
291 HG2 GLU 37 2HG GLU 37 2.519 3.891 4.830
292 HG3 GLU 37 1HG GLU 37 1.002 4.349 4.067
293 H GLN 38 H GLN 38 2.709 3.617 9.251
294 HA GLN 38 HA GLN 38 0.612 3.837 11.119
295 HB2 GLN 38 2HB GLN 38 3.383 5.118 11.191
296 HB3 GLN 38 1HB GLN 38 2.314 4.904 12.576
297 HG2 GLN 38 2HG GLN 38 2.513 2.448 12.352
298 HG3 GLN 38 1HG GLN 38 3.563 2.657 10.954
299 HE21 GLN 38 1HE2 GLN 38 5.694 3.468 11.282
300 HE22 GLN 38 2HE2 GLN 38 6.443 3.437 12.837
301 H LYS 39 H LYS 39 -0.621 5.558 11.783
302 HA LYS 39 HA LYS 39 -0.826 7.825 9.973
303 HB2 LYS 39 2HB LYS 39 -2.558 6.976 12.342
304 HB3 LYS 39 1HB LYS 39 -2.864 8.407 11.376
305 HG2 LYS 39 2HG LYS 39 -4.370 6.694 10.651
306 HG3 LYS 39 1HG LYS 39 -3.190 6.959 9.371
307 HD2 LYS 39 2HD LYS 39 -3.689 4.562 9.662
308 HD3 LYS 39 1HD LYS 39 -1.994 4.906 10.009
309 HE2 LYS 39 2HE LYS 39 -2.877 3.342 11.659
310 HE3 LYS 39 1HE LYS 39 -2.510 4.874 12.444
311 HZ1 LYS 39 3HZ LYS 39 -4.599 4.058 13.217
312 HZ2 LYS 39 1HZ LYS 39 -5.190 3.887 11.642
313 HZ3 LYS 39 2HZ LYS 39 -4.889 5.426 12.272
314 H LEU 40 H LEU 40 1.348 8.625 10.666
315 HA LEU 40 HA LEU 40 1.624 9.981 13.186
316 HB2 LEU 40 2HB LEU 40 3.172 10.052 10.567
317 HB3 LEU 40 1HB LEU 40 3.497 11.259 11.799
318 HG LEU 40 HG LEU 40 4.090 9.410 13.406
319 HD11 LEU 40 1HD1 LEU 40 4.587 7.167 12.572
320 HD12 LEU 40 2HD1 LEU 40 3.903 7.583 10.998
321 HD13 LEU 40 3HD1 LEU 40 2.875 7.548 12.432
322 HD21 LEU 40 3HD2 LEU 40 5.844 10.633 12.233
323 HD22 LEU 40 1HD2 LEU 40 5.759 9.507 10.872
324 HD23 LEU 40 2HD2 LEU 40 6.305 8.950 12.456
325 HA PRO 41 HA PRO 41 -0.802 13.614 12.014
326 HB2 PRO 41 2HB PRO 41 0.699 15.131 14.103
327 HB3 PRO 41 1HB PRO 41 -1.028 14.719 14.045
328 HG2 PRO 41 2HG PRO 41 0.600 13.541 15.813
329 HG3 PRO 41 1HG PRO 41 -0.715 12.638 15.026
330 HD2 PRO 41 2HD PRO 41 2.228 12.659 14.311
331 HD3 PRO 41 1HD PRO 41 1.128 11.272 14.518
332 H LEU 42 H LEU 42 0.000 16.252 12.134
333 HA LEU 42 HA LEU 42 0.817 17.885 10.850
334 HB2 LEU 42 2HB LEU 42 3.374 16.227 10.806
335 HB3 LEU 42 1HB LEU 42 3.254 17.877 10.232
336 HG LEU 42 HG LEU 42 4.277 18.067 12.341
337 HD11 LEU 42 1HD1 LEU 42 2.738 19.299 13.748
338 HD12 LEU 42 2HD1 LEU 42 1.355 18.628 12.881
339 HD13 LEU 42 3HD1 LEU 42 2.494 19.692 12.049
340 HD21 LEU 42 3HD2 LEU 42 2.231 16.195 13.576
341 HD22 LEU 42 1HD2 LEU 42 3.547 17.015 14.421
342 HD23 LEU 42 2HD2 LEU 42 3.911 15.805 13.195
343 H GLY 43 H GLY 43 -0.612 15.694 9.678
344 HA2 GLY 43 2HA GLY 43 -0.863 16.166 7.046
345 HA3 GLY 43 1HA GLY 43 0.528 15.071 7.086
Start of MODEL 4
1 H1 GLY 1 H GLY 1 17.600 3.537 -4.196
2 HA2 GLY 1 1HA GLY 1 15.108 3.283 -2.865
3 HA3 GLY 1 2HA GLY 1 16.365 2.661 -1.800
4 H HIS 2 H HIS 2 15.206 4.577 -0.667
5 HA HIS 2 HA HIS 2 15.474 6.489 0.469
6 HB2 HIS 2 2HB HIS 2 17.949 5.813 0.419
7 HB3 HIS 2 1HB HIS 2 18.155 6.938 -0.917
8 HD1 HIS 2 1HD HIS 2 17.489 6.791 2.775
9 HD2 HIS 2 2HD HIS 2 18.259 9.668 -0.126
10 HE1 HIS 2 1HE HIS 2 17.950 8.912 4.023
11 HE2 HIS 2 2HE HIS 2 18.415 10.638 2.252
12 H MET 3 H MET 3 14.461 6.351 -2.456
13 HA MET 3 HA MET 3 14.492 9.259 -3.062
14 HB2 MET 3 2HB MET 3 15.826 7.885 -4.705
15 HB3 MET 3 1HB MET 3 14.370 6.983 -5.094
16 HG2 MET 3 2HG MET 3 13.318 9.098 -5.896
17 HG3 MET 3 1HG MET 3 14.829 9.943 -5.567
18 HE1 MET 3 3HE MET 3 14.254 6.746 -8.852
19 HE2 MET 3 1HE MET 3 12.935 7.441 -7.909
20 HE3 MET 3 2HE MET 3 14.101 6.359 -7.138
21 HA PRO 4 HA PRO 4 10.031 8.087 -2.471
22 HB2 PRO 4 2HB PRO 4 9.288 10.235 -0.975
23 HB3 PRO 4 1HB PRO 4 10.158 8.864 -0.253
24 HG2 PRO 4 2HG PRO 4 11.242 11.534 -1.121
25 HG3 PRO 4 1HG PRO 4 11.588 10.612 0.360
26 HD2 PRO 4 2HD PRO 4 13.250 10.605 -1.841
27 HD3 PRO 4 1HD PRO 4 13.155 9.261 -0.685
28 H LYS 5 H LYS 5 8.348 8.730 -3.799
29 HA LYS 5 HA LYS 5 8.041 11.424 -4.766
30 HB2 LYS 5 2HB LYS 5 9.765 10.657 -6.353
31 HB3 LYS 5 1HB LYS 5 8.786 9.261 -6.777
32 HG2 LYS 5 2HG LYS 5 7.102 10.690 -7.804
33 HG3 LYS 5 1HG LYS 5 7.943 12.139 -7.253
34 HD2 LYS 5 2HD LYS 5 9.831 11.647 -8.744
35 HD3 LYS 5 1HD LYS 5 9.075 10.132 -9.255
36 HE2 LYS 5 2HE LYS 5 8.785 11.992 -10.913
37 HE3 LYS 5 1HE LYS 5 7.255 11.351 -10.318
38 HZ1 LYS 5 3HZ LYS 5 7.058 13.223 -8.836
39 HZ2 LYS 5 1HZ LYS 5 7.276 13.770 -10.422
40 HZ3 LYS 5 2HZ LYS 5 8.563 13.824 -9.325
41 H ILE 6 H ILE 6 6.082 11.285 -3.792
42 HA ILE 6 HA ILE 6 3.870 11.082 -3.589
43 HB ILE 6 HB ILE 6 3.925 9.536 -6.213
44 HG12 ILE 6 2HG1 ILE 6 3.155 12.421 -5.568
45 HG13 ILE 6 1HG1 ILE 6 4.613 11.898 -6.401
46 HG21 ILE 6 1HG2 ILE 6 1.487 10.559 -4.712
47 HG22 ILE 6 2HG2 ILE 6 1.930 8.864 -4.935
48 HG23 ILE 6 3HG2 ILE 6 1.480 9.845 -6.329
49 HD11 ILE 6 3HD1 ILE 6 3.016 12.812 -7.953
50 HD12 ILE 6 1HD1 ILE 6 1.791 11.650 -7.443
51 HD13 ILE 6 2HD1 ILE 6 3.250 11.095 -8.269
52 H ASN 7 H ASN 7 5.280 7.933 -4.604
53 HA ASN 7 HA ASN 7 3.758 6.352 -2.824
54 HB2 ASN 7 2HB ASN 7 5.479 4.563 -3.283
55 HB3 ASN 7 1HB ASN 7 4.769 5.251 -4.725
56 HD21 ASN 7 1HD2 ASN 7 6.097 6.454 -6.145
57 HD22 ASN 7 2HD2 ASN 7 7.817 6.474 -6.008
58 H GLU 8 H GLU 8 3.777 7.397 -0.814
59 HA GLU 8 HA GLU 8 6.162 7.415 0.809
60 HB2 GLU 8 2HB GLU 8 4.271 8.945 1.325
61 HB3 GLU 8 1HB GLU 8 3.225 7.562 1.606
62 HG2 GLU 8 2HG GLU 8 4.005 8.618 3.723
63 HG3 GLU 8 1HG GLU 8 4.473 6.920 3.588
64 H ASP 9 H ASP 9 3.518 5.267 0.038
65 HA ASP 9 HA ASP 9 3.279 3.042 0.057
66 HB2 ASP 9 2HB ASP 9 5.777 3.449 -0.836
67 HB3 ASP 9 1HB ASP 9 6.207 2.598 0.644
68 H TRP 10 H TRP 10 4.219 0.916 1.498
69 HA TRP 10 HA TRP 10 5.007 1.535 4.152
70 HB2 TRP 10 2HB TRP 10 3.083 0.465 5.364
71 HB3 TRP 10 1HB TRP 10 2.720 2.022 4.644
72 HD1 TRP 10 HD TRP 10 0.948 2.061 2.615
73 HE1 TRP 10 1HE TRP 10 -0.906 0.400 1.956
74 HE3 TRP 10 3HE TRP 10 2.565 -2.037 5.196
75 HZ2 TRP 10 2HZ TRP 10 -1.582 -2.274 2.446
76 HZ3 TRP 10 3HZ TRP 10 1.261 -4.118 5.039
77 HH2 TRP 10 HH TRP 10 -0.773 -4.239 3.688
78 H LEU 11 H LEU 11 5.974 -0.110 5.118
79 HA LEU 11 HA LEU 11 6.292 -2.617 3.634
80 HB2 LEU 11 2HB LEU 11 8.215 -1.038 4.559
81 HB3 LEU 11 1HB LEU 11 7.896 -1.818 6.089
82 HG LEU 11 HG LEU 11 9.855 -2.768 4.899
83 HD11 LEU 11 1HD1 LEU 11 7.631 -4.791 5.161
84 HD12 LEU 11 2HD1 LEU 11 8.734 -4.254 6.432
85 HD13 LEU 11 3HD1 LEU 11 9.358 -5.148 5.046
86 HD21 LEU 11 3HD2 LEU 11 7.914 -3.641 2.747
87 HD22 LEU 11 1HD2 LEU 11 9.631 -4.047 2.841
88 HD23 LEU 11 2HD2 LEU 11 9.133 -2.372 2.601
89 H CYS 12 H CYS 12 5.275 -4.402 4.345
90 HA CYS 12 HA CYS 12 3.457 -4.345 6.528
91 HB2 CYS 12 2HB CYS 12 2.981 -5.672 4.530
92 HB3 CYS 12 1HB CYS 12 4.422 -6.642 4.786
93 H ASN 13 H ASN 13 3.412 -5.855 8.348
94 HA ASN 13 HA ASN 13 6.069 -6.702 9.361
95 HB2 ASN 13 2HB ASN 13 5.007 -6.758 11.615
96 HB3 ASN 13 1HB ASN 13 4.912 -5.161 10.887
97 HD21 ASN 13 1HD2 ASN 13 2.919 -4.361 10.271
98 HD22 ASN 13 2HD2 ASN 13 1.413 -5.081 10.727
99 H LYS 14 H LYS 14 2.944 -7.748 8.316
100 HA LYS 14 HA LYS 14 2.943 -10.347 9.529
101 HB2 LYS 14 2HB LYS 14 1.256 -9.206 7.270
102 HB3 LYS 14 1HB LYS 14 0.938 -10.739 8.074
103 HG2 LYS 14 2HG LYS 14 0.877 -7.999 9.366
104 HG3 LYS 14 1HG LYS 14 -0.535 -8.931 8.868
105 HD2 LYS 14 2HD LYS 14 1.454 -9.870 10.974
106 HD3 LYS 14 1HD LYS 14 -0.014 -8.960 11.336
107 HE2 LYS 14 2HE LYS 14 -0.560 -11.231 11.712
108 HE3 LYS 14 1HE LYS 14 -1.308 -10.813 10.174
109 HZ1 LYS 14 3HZ LYS 14 0.486 -11.947 9.021
110 HZ2 LYS 14 1HZ LYS 14 -0.237 -12.993 10.133
111 HZ3 LYS 14 2HZ LYS 14 1.255 -12.292 10.487
112 H CYS 15 H CYS 15 2.960 -9.521 5.962
113 HA CYS 15 HA CYS 15 4.553 -11.942 5.446
114 HB2 CYS 15 2HB CYS 15 4.192 -11.289 3.045
115 HB3 CYS 15 1HB CYS 15 2.698 -11.519 3.948
116 H GLY 16 H GLY 16 4.838 -8.441 5.427
117 HA2 GLY 16 2HA GLY 16 6.738 -7.139 5.682
118 HA3 GLY 16 1HA GLY 16 7.752 -8.558 5.448
119 H VAL 17 H VAL 17 5.171 -7.339 3.350
120 HA VAL 17 HA VAL 17 7.045 -7.211 1.086
121 HB VAL 17 HB VAL 17 5.066 -7.133 -0.370
122 HG11 VAL 17 1HG1 VAL 17 4.161 -9.382 0.092
123 HG12 VAL 17 2HG1 VAL 17 4.883 -9.337 1.704
124 HG13 VAL 17 3HG1 VAL 17 5.916 -9.327 0.272
125 HG21 VAL 17 3HG2 VAL 17 3.526 -5.842 1.030
126 HG22 VAL 17 1HG2 VAL 17 3.423 -7.172 2.190
127 HG23 VAL 17 2HG2 VAL 17 2.773 -7.367 0.558
128 H GLN 18 H GLN 18 6.853 -5.496 -0.471
129 HA GLN 18 HA GLN 18 6.229 -2.812 0.596
130 HB2 GLN 18 2HB GLN 18 8.552 -3.206 -0.212
131 HB3 GLN 18 1HB GLN 18 7.950 -3.758 -1.765
132 HG2 GLN 18 2HG GLN 18 7.353 -0.956 -0.821
133 HG3 GLN 18 1HG GLN 18 8.929 -1.342 -1.502
134 HE21 GLN 18 1HE2 GLN 18 6.774 0.441 -2.498
135 HE22 GLN 18 2HE2 GLN 18 6.447 -0.093 -4.106
136 H ASN 19 H ASN 19 4.246 -2.015 -0.076
137 HA ASN 19 HA ASN 19 2.757 -3.494 -2.117
138 HB2 ASN 19 2HB ASN 19 0.794 -2.295 -1.309
139 HB3 ASN 19 1HB ASN 19 1.676 -2.950 0.061
140 HD21 ASN 19 1HD2 ASN 19 -0.162 -0.522 -0.484
141 HD22 ASN 19 2HD2 ASN 19 0.634 0.762 0.335
142 H PHE 20 H PHE 20 1.057 -1.240 -2.914
143 HA PHE 20 HA PHE 20 2.903 0.339 -4.601
144 HB2 PHE 20 2HB PHE 20 1.528 -1.376 -5.854
145 HB3 PHE 20 1HB PHE 20 0.064 -0.545 -5.348
146 HD1 PHE 20 1HD PHE 20 3.376 0.523 -6.797
147 HD2 PHE 20 2HD PHE 20 -0.899 0.692 -7.124
148 HE1 PHE 20 1HE PHE 20 3.571 2.003 -8.761
149 HE2 PHE 20 2HE PHE 20 -0.680 2.170 -9.080
150 HZ PHE 20 HZ PHE 20 1.548 2.812 -9.899
151 H LYS 21 H LYS 21 2.404 1.217 -2.092
152 HA LYS 21 HA LYS 21 1.599 2.673 -0.655
153 HB2 LYS 21 2HB LYS 21 1.384 5.006 -1.324
154 HB3 LYS 21 1HB LYS 21 2.794 4.245 -2.021
155 HG2 LYS 21 2HG LYS 21 2.046 4.480 -4.202
156 HG3 LYS 21 1HG LYS 21 0.348 4.391 -3.749
157 HD2 LYS 21 2HD LYS 21 2.168 6.789 -3.307
158 HD3 LYS 21 1HD LYS 21 0.976 6.631 -4.597
159 HE2 LYS 21 2HE LYS 21 -0.821 6.479 -2.850
160 HE3 LYS 21 1HE LYS 21 0.406 6.764 -1.609
161 HZ1 LYS 21 3HZ LYS 21 -0.738 8.809 -2.203
162 HZ2 LYS 21 1HZ LYS 21 -0.282 8.630 -3.822
163 HZ3 LYS 21 2HZ LYS 21 0.892 8.895 -2.635
164 H ARG 22 H ARG 22 -0.701 3.325 -3.336
165 HA ARG 22 HA ARG 22 -2.894 4.030 -1.773
166 HB2 ARG 22 2HB ARG 22 -2.777 4.624 -4.096
167 HB3 ARG 22 1HB ARG 22 -2.705 2.945 -4.589
168 HG2 ARG 22 2HG ARG 22 -4.886 3.989 -5.076
169 HG3 ARG 22 1HG ARG 22 -5.047 2.607 -3.998
170 HD2 ARG 22 2HD ARG 22 -5.088 4.310 -2.068
171 HD3 ARG 22 1HD ARG 22 -5.251 5.554 -3.309
172 HE ARG 22 HE ARG 22 -7.402 4.747 -3.848
173 HH11 ARG 22 1HH1 ARG 22 -6.020 2.979 -1.133
174 HH12 ARG 22 2HH1 ARG 22 -7.544 2.338 -0.617
175 HH21 ARG 22 1HH2 ARG 22 -9.396 3.915 -3.154
176 HH22 ARG 22 2HH2 ARG 22 -9.475 2.871 -1.772
177 H ARG 23 H ARG 23 -1.722 0.856 -2.677
178 HA ARG 23 HA ARG 23 -3.908 -0.779 -2.099
179 HB2 ARG 23 2HB ARG 23 -0.961 -1.325 -1.535
180 HB3 ARG 23 1HB ARG 23 -2.227 -2.550 -1.524
181 HG2 ARG 23 2HG ARG 23 -1.634 -0.896 -3.985
182 HG3 ARG 23 1HG ARG 23 -0.719 -2.349 -3.604
183 HD2 ARG 23 2HD ARG 23 -2.451 -2.884 -5.196
184 HD3 ARG 23 1HD ARG 23 -2.824 -3.666 -3.659
185 HE ARG 23 HE ARG 23 -4.150 -1.157 -3.905
186 HH11 ARG 23 1HH1 ARG 23 -4.315 -4.495 -5.051
187 HH12 ARG 23 2HH1 ARG 23 -6.022 -4.439 -5.329
188 HH21 ARG 23 1HH2 ARG 23 -6.402 -1.113 -4.248
189 HH22 ARG 23 2HH2 ARG 23 -7.204 -2.517 -4.877
190 H GLU 24 H GLU 24 -5.107 -0.214 -0.376
191 HA GLU 24 HA GLU 24 -4.379 0.685 2.150
192 HB2 GLU 24 2HB GLU 24 -6.644 0.885 1.366
193 HB3 GLU 24 1HB GLU 24 -6.809 -0.860 1.178
194 HG2 GLU 24 2HG GLU 24 -6.662 -1.094 3.672
195 HG3 GLU 24 1HG GLU 24 -6.593 0.669 3.798
196 H LYS 25 H LYS 25 -4.899 -2.573 0.964
197 HA LYS 25 HA LYS 25 -3.700 -3.737 3.404
198 HB2 LYS 25 2HB LYS 25 -5.744 -4.967 1.494
199 HB3 LYS 25 1HB LYS 25 -5.020 -5.793 2.877
200 HG2 LYS 25 2HG LYS 25 -6.057 -4.132 4.396
201 HG3 LYS 25 1HG LYS 25 -6.801 -3.329 3.009
202 HD2 LYS 25 2HD LYS 25 -7.336 -6.186 3.938
203 HD3 LYS 25 1HD LYS 25 -8.408 -4.802 4.180
204 HE2 LYS 25 2HE LYS 25 -8.627 -4.588 1.698
205 HE3 LYS 25 1HE LYS 25 -7.626 -6.031 1.507
206 HZ1 LYS 25 3HZ LYS 25 -10.250 -5.913 2.897
207 HZ2 LYS 25 1HZ LYS 25 -9.289 -7.291 2.725
208 HZ3 LYS 25 2HZ LYS 25 -9.970 -6.562 1.364
209 H CYS 26 H CYS 26 -2.217 -5.489 3.092
210 HA CYS 26 HA CYS 26 -0.403 -5.409 0.993
211 HB2 CYS 26 2HB CYS 26 -1.055 -7.537 3.036
212 HB3 CYS 26 1HB CYS 26 0.079 -7.900 1.744
213 H PHE 27 H PHE 27 -0.421 -6.112 -1.045
214 HA PHE 27 HA PHE 27 -2.656 -6.922 -2.450
215 HB2 PHE 27 2HB PHE 27 -1.096 -7.379 -4.351
216 HB3 PHE 27 1HB PHE 27 -0.794 -5.853 -3.550
217 HD1 PHE 27 2HD PHE 27 1.193 -5.571 -2.060
218 HD2 PHE 27 1HD PHE 27 0.632 -9.082 -4.445
219 HE1 PHE 27 2HE PHE 27 3.568 -6.129 -1.803
220 HE2 PHE 27 1HE PHE 27 3.012 -9.621 -4.186
221 HZ PHE 27 HZ PHE 27 4.479 -8.153 -2.866
222 H LYS 28 H LYS 28 -0.476 -8.976 -0.705
223 HA LYS 28 HA LYS 28 -1.811 -11.398 -1.771
224 HB2 LYS 28 2HB LYS 28 0.358 -12.601 -1.135
225 HB3 LYS 28 1HB LYS 28 0.414 -11.535 -2.520
226 HG2 LYS 28 2HG LYS 28 2.401 -11.017 -1.474
227 HG3 LYS 28 1HG LYS 28 1.346 -9.751 -0.856
228 HD2 LYS 28 2HD LYS 28 2.765 -10.614 0.898
229 HD3 LYS 28 1HD LYS 28 1.100 -11.062 1.244
230 HE2 LYS 28 2HE LYS 28 2.558 -12.938 1.745
231 HE3 LYS 28 1HE LYS 28 1.585 -13.359 0.335
232 HZ1 LYS 28 3HZ LYS 28 3.497 -12.720 -1.063
233 HZ2 LYS 28 1HZ LYS 28 3.861 -14.001 -0.020
234 HZ3 LYS 28 2HZ LYS 28 4.411 -12.441 0.326
235 H CYS 29 H CYS 29 -0.467 -9.921 1.246
236 HA CYS 29 HA CYS 29 -1.360 -12.159 2.859
237 HB2 CYS 29 2HB CYS 29 0.798 -11.061 3.234
238 HB3 CYS 29 1HB CYS 29 -0.007 -9.542 3.569
239 H GLY 30 H GLY 30 -2.360 -8.813 2.263
240 HA2 GLY 30 2HA GLY 30 -4.460 -7.902 2.378
241 HA3 GLY 30 1HA GLY 30 -5.056 -9.396 3.087
242 H VAL 31 H VAL 31 -2.372 -7.936 4.717
243 HA VAL 31 HA VAL 31 -3.937 -7.231 7.024
244 HB VAL 31 HB VAL 31 -1.674 -8.021 7.410
245 HG11 VAL 31 1HG1 VAL 31 -0.624 -7.350 5.305
246 HG12 VAL 31 2HG1 VAL 31 0.336 -6.823 6.688
247 HG13 VAL 31 3HG1 VAL 31 -0.657 -5.655 5.811
248 HG21 VAL 31 3HG2 VAL 31 -0.721 -6.250 8.840
249 HG22 VAL 31 1HG2 VAL 31 -2.468 -6.372 9.051
250 HG23 VAL 31 2HG2 VAL 31 -1.786 -5.059 8.085
251 HA PRO 32 HA PRO 32 -5.013 -3.016 5.638
252 HB2 PRO 32 2HB PRO 32 -5.703 -2.025 8.172
253 HB3 PRO 32 1HB PRO 32 -6.806 -2.945 7.121
254 HG2 PRO 32 2HG PRO 32 -5.101 -3.935 9.400
255 HG3 PRO 32 1HG PRO 32 -6.800 -4.316 9.024
256 HD2 PRO 32 2HD PRO 32 -4.873 -6.054 8.387
257 HD3 PRO 32 1HD PRO 32 -6.221 -5.777 7.260
258 H LYS 33 H LYS 33 -4.051 -1.021 5.671
259 HA LYS 33 HA LYS 33 -1.361 -0.682 6.271
260 HB2 LYS 33 2HB LYS 33 -2.838 0.712 4.676
261 HB3 LYS 33 1HB LYS 33 -3.333 1.634 6.082
262 HG2 LYS 33 2HG LYS 33 -0.444 1.539 6.037
263 HG3 LYS 33 1HG LYS 33 -1.003 1.983 4.433
264 HD2 LYS 33 2HD LYS 33 -0.631 4.029 5.599
265 HD3 LYS 33 1HD LYS 33 -2.378 3.822 5.517
266 HE2 LYS 33 2HE LYS 33 -2.490 3.202 7.854
267 HE3 LYS 33 1HE LYS 33 -0.735 3.066 7.956
268 HZ1 LYS 33 3HZ LYS 33 -0.504 5.421 7.663
269 HZ2 LYS 33 1HZ LYS 33 -1.596 5.156 8.934
270 HZ3 LYS 33 2HZ LYS 33 -2.168 5.612 7.406
271 H SER 34 H SER 34 -4.197 0.107 8.206
272 HA SER 34 HA SER 34 -2.853 1.661 10.184
273 HB2 SER 34 2HB SER 34 -5.279 1.874 9.617
274 HB3 SER 34 1HB SER 34 -5.567 0.297 10.358
275 HG SER 34 HG SER 34 -4.229 1.736 12.123
276 H GLU 35 H GLU 35 -2.871 -1.706 9.673
277 HA GLU 35 HA GLU 35 -2.170 -2.317 12.489
278 HB2 GLU 35 2HB GLU 35 -3.917 -3.745 11.350
279 HB3 GLU 35 1HB GLU 35 -2.691 -4.281 10.207
280 HG2 GLU 35 2HG GLU 35 -1.420 -5.354 11.996
281 HG3 GLU 35 1HG GLU 35 -2.513 -4.698 13.213
282 H ALA 36 H ALA 36 -0.802 -1.838 9.330
283 HA ALA 36 HA ALA 36 1.805 -3.003 10.095
284 HB1 ALA 36 1HB ALA 36 0.910 -3.542 7.847
285 HB2 ALA 36 2HB ALA 36 2.446 -2.671 7.768
286 HB3 ALA 36 3HB ALA 36 0.935 -1.819 7.440
287 H GLU 37 H GLU 37 0.785 -0.040 8.438
288 HA GLU 37 HA GLU 37 3.144 1.421 9.322
289 HB2 GLU 37 2HB GLU 37 2.073 1.301 6.928
290 HB3 GLU 37 1HB GLU 37 0.930 2.482 7.532
291 HG2 GLU 37 2HG GLU 37 3.917 2.972 7.608
292 HG3 GLU 37 1HG GLU 37 2.988 3.273 6.150
293 H GLN 38 H GLN 38 2.865 3.661 10.068
294 HA GLN 38 HA GLN 38 1.402 3.745 12.504
295 HB2 GLN 38 2HB GLN 38 2.851 6.047 11.119
296 HB3 GLN 38 1HB GLN 38 2.543 5.871 12.850
297 HG2 GLN 38 2HG GLN 38 4.123 4.019 12.968
298 HG3 GLN 38 1HG GLN 38 4.336 4.042 11.222
299 HE21 GLN 38 1HE2 GLN 38 5.489 5.801 10.264
300 HE22 GLN 38 2HE2 GLN 38 6.605 6.741 11.195
301 H LYS 39 H LYS 39 -0.397 4.889 13.061
302 HA LYS 39 HA LYS 39 -2.091 6.130 11.016
303 HB2 LYS 39 2HB LYS 39 -3.786 6.233 12.800
304 HB3 LYS 39 1HB LYS 39 -3.079 4.621 12.720
305 HG2 LYS 39 2HG LYS 39 -1.706 5.058 14.685
306 HG3 LYS 39 1HG LYS 39 -2.249 6.739 14.735
307 HD2 LYS 39 2HD LYS 39 -4.575 5.949 15.189
308 HD3 LYS 39 1HD LYS 39 -3.996 4.278 15.177
309 HE2 LYS 39 2HE LYS 39 -2.562 4.755 17.115
310 HE3 LYS 39 1HE LYS 39 -3.084 6.438 17.105
311 HZ1 LYS 39 3HZ LYS 39 -4.774 4.063 17.640
312 HZ2 LYS 39 1HZ LYS 39 -5.359 5.646 17.515
313 HZ3 LYS 39 2HZ LYS 39 -4.294 5.234 18.761
314 H LEU 40 H LEU 40 -3.144 8.292 11.567
315 HA LEU 40 HA LEU 40 -1.234 10.190 12.788
316 HB2 LEU 40 2HB LEU 40 -3.607 10.628 10.929
317 HB3 LEU 40 1HB LEU 40 -2.744 11.942 11.709
318 HG LEU 40 HG LEU 40 -0.636 11.173 10.472
319 HD11 LEU 40 1HD1 LEU 40 -1.270 8.890 9.939
320 HD12 LEU 40 2HD1 LEU 40 -0.880 9.781 8.469
321 HD13 LEU 40 3HD1 LEU 40 -2.567 9.469 8.893
322 HD21 LEU 40 3HD2 LEU 40 -2.963 12.073 8.762
323 HD22 LEU 40 1HD2 LEU 40 -1.251 12.239 8.356
324 HD23 LEU 40 2HD2 LEU 40 -1.917 13.111 9.736
325 HA PRO 41 HA PRO 41 -4.076 10.506 16.311
326 HB2 PRO 41 2HB PRO 41 -2.894 13.176 16.880
327 HB3 PRO 41 1HB PRO 41 -2.851 11.703 17.869
328 HG2 PRO 41 2HG PRO 41 -0.633 12.600 16.640
329 HG3 PRO 41 1HG PRO 41 -0.972 10.858 16.790
330 HD2 PRO 41 2HD PRO 41 -1.412 12.655 14.395
331 HD3 PRO 41 1HD PRO 41 -0.669 11.035 14.461
332 H LEU 42 H LEU 42 -3.748 13.130 13.987
333 HA LEU 42 HA LEU 42 -6.085 14.598 14.884
334 HB2 LEU 42 2HB LEU 42 -4.250 14.986 12.481
335 HB3 LEU 42 1HB LEU 42 -5.614 16.029 12.830
336 HG LEU 42 HG LEU 42 -3.636 17.175 13.543
337 HD11 LEU 42 1HD1 LEU 42 -5.527 17.461 15.022
338 HD12 LEU 42 2HD1 LEU 42 -4.010 17.561 15.907
339 HD13 LEU 42 3HD1 LEU 42 -4.996 16.099 16.015
340 HD21 LEU 42 3HD2 LEU 42 -1.998 16.313 15.131
341 HD22 LEU 42 1HD2 LEU 42 -2.088 15.292 13.697
342 HD23 LEU 42 2HD2 LEU 42 -2.848 14.764 15.200
343 H GLY 43 H GLY 43 -7.919 13.434 14.597
344 HA2 GLY 43 2HA GLY 43 -9.808 12.837 13.425
345 HA3 GLY 43 1HA GLY 43 -8.938 13.062 11.916
Start of MODEL 5
1 H1 GLY 1 H GLY 1 14.698 20.207 0.110
2 HA2 GLY 1 1HA GLY 1 16.179 18.239 1.543
3 HA3 GLY 1 2HA GLY 1 14.467 17.878 1.734
4 H HIS 2 H HIS 2 14.583 15.958 0.511
5 HA HIS 2 HA HIS 2 15.432 16.077 -2.293
6 HB2 HIS 2 2HB HIS 2 16.198 14.155 -0.995
7 HB3 HIS 2 1HB HIS 2 14.547 13.755 -0.542
8 HD1 HIS 2 1HD HIS 2 13.791 11.762 -1.789
9 HD2 HIS 2 2HD HIS 2 16.301 14.128 -4.107
10 HE1 HIS 2 1HE HIS 2 13.947 10.610 -4.006
11 HE2 HIS 2 2HE HIS 2 15.663 11.921 -5.286
12 H MET 3 H MET 3 12.591 14.879 -0.477
13 HA MET 3 HA MET 3 10.398 14.675 -0.911
14 HB2 MET 3 2HB MET 3 10.444 17.134 -1.010
15 HB3 MET 3 1HB MET 3 10.863 17.081 -2.713
16 HG2 MET 3 2HG MET 3 8.644 16.045 -3.193
17 HG3 MET 3 1HG MET 3 8.226 16.221 -1.483
18 HE1 MET 3 3HE MET 3 6.485 17.453 -3.932
19 HE2 MET 3 1HE MET 3 6.104 19.046 -3.286
20 HE3 MET 3 2HE MET 3 6.017 17.629 -2.238
21 HA PRO 4 HA PRO 4 11.134 12.128 -4.727
22 HB2 PRO 4 2HB PRO 4 10.031 9.801 -3.784
23 HB3 PRO 4 1HB PRO 4 11.690 10.303 -3.389
24 HG2 PRO 4 2HG PRO 4 9.201 10.591 -1.732
25 HG3 PRO 4 1HG PRO 4 10.822 10.040 -1.244
26 HD2 PRO 4 2HD PRO 4 9.961 12.586 -0.794
27 HD3 PRO 4 1HD PRO 4 11.667 12.204 -1.106
28 H LYS 5 H LYS 5 8.208 12.697 -2.836
29 HA LYS 5 HA LYS 5 6.002 12.836 -3.265
30 HB2 LYS 5 2HB LYS 5 6.630 14.428 -5.056
31 HB3 LYS 5 1HB LYS 5 6.874 13.102 -6.185
32 HG2 LYS 5 2HG LYS 5 4.423 12.576 -6.000
33 HG3 LYS 5 1HG LYS 5 4.233 14.004 -4.984
34 HD2 LYS 5 2HD LYS 5 4.809 15.476 -6.801
35 HD3 LYS 5 1HD LYS 5 5.329 14.129 -7.819
36 HE2 LYS 5 2HE LYS 5 3.099 15.006 -8.479
37 HE3 LYS 5 1HE LYS 5 3.028 13.316 -7.980
38 HZ1 LYS 5 3HZ LYS 5 2.119 13.964 -5.879
39 HZ2 LYS 5 1HZ LYS 5 1.207 14.698 -7.095
40 HZ3 LYS 5 2HZ LYS 5 2.329 15.605 -6.215
41 H ILE 6 H ILE 6 4.112 11.612 -4.108
42 HA ILE 6 HA ILE 6 2.886 9.771 -4.327
43 HB ILE 6 HB ILE 6 3.104 8.349 -6.264
44 HG12 ILE 6 2HG1 ILE 6 5.931 9.420 -6.734
45 HG13 ILE 6 1HG1 ILE 6 5.548 7.820 -6.114
46 HG21 ILE 6 1HG2 ILE 6 2.311 10.612 -6.688
47 HG22 ILE 6 2HG2 ILE 6 3.205 9.998 -8.079
48 HG23 ILE 6 3HG2 ILE 6 3.963 11.162 -6.990
49 HD11 ILE 6 3HD1 ILE 6 6.126 7.705 -8.452
50 HD12 ILE 6 1HD1 ILE 6 4.855 8.859 -8.864
51 HD13 ILE 6 2HD1 ILE 6 4.434 7.268 -8.225
52 H ASN 7 H ASN 7 5.388 9.622 -2.566
53 HA ASN 7 HA ASN 7 5.809 6.740 -2.307
54 HB2 ASN 7 2HB ASN 7 7.799 8.218 -2.233
55 HB3 ASN 7 1HB ASN 7 7.108 9.125 -0.898
56 HD21 ASN 7 1HD2 ASN 7 7.146 5.572 -1.258
57 HD22 ASN 7 2HD2 ASN 7 8.137 5.290 0.125
58 H GLU 8 H GLU 8 3.535 6.528 -1.769
59 HA GLU 8 HA GLU 8 2.829 7.131 1.043
60 HB2 GLU 8 2HB GLU 8 1.331 7.429 -1.246
61 HB3 GLU 8 1HB GLU 8 0.870 5.793 -0.819
62 HG2 GLU 8 2HG GLU 8 0.592 8.208 0.992
63 HG3 GLU 8 1HG GLU 8 -0.697 7.565 -0.021
64 H ASP 9 H ASP 9 4.428 4.901 -0.711
65 HA ASP 9 HA ASP 9 3.722 2.341 -0.213
66 HB2 ASP 9 2HB ASP 9 6.531 3.512 -0.043
67 HB3 ASP 9 1HB ASP 9 6.165 1.812 -0.305
68 H TRP 10 H TRP 10 3.786 0.894 1.401
69 HA TRP 10 HA TRP 10 5.046 1.552 3.984
70 HB2 TRP 10 2HB TRP 10 3.100 0.425 5.151
71 HB3 TRP 10 1HB TRP 10 2.732 1.980 4.423
72 HD1 TRP 10 HD TRP 10 1.073 1.979 2.265
73 HE1 TRP 10 1HE TRP 10 -0.742 0.295 1.572
74 HE3 TRP 10 3HE TRP 10 2.594 -2.080 4.979
75 HZ2 TRP 10 2HZ TRP 10 -1.426 -2.376 2.052
76 HZ3 TRP 10 3HZ TRP 10 1.318 -4.171 4.781
77 HH2 TRP 10 HH TRP 10 -0.654 -4.322 3.343
78 H LEU 11 H LEU 11 5.793 -0.174 5.146
79 HA LEU 11 HA LEU 11 6.352 -2.634 3.619
80 HB2 LEU 11 2HB LEU 11 8.200 -1.143 4.665
81 HB3 LEU 11 1HB LEU 11 7.647 -1.697 6.225
82 HG LEU 11 HG LEU 11 9.738 -2.821 5.335
83 HD11 LEU 11 1HD1 LEU 11 9.202 -5.088 6.018
84 HD12 LEU 11 2HD1 LEU 11 7.474 -4.732 5.919
85 HD13 LEU 11 3HD1 LEU 11 8.481 -3.904 7.108
86 HD21 LEU 11 3HD2 LEU 11 7.861 -4.154 3.362
87 HD22 LEU 11 1HD2 LEU 11 9.572 -4.522 3.601
88 HD23 LEU 11 2HD2 LEU 11 9.092 -2.949 2.971
89 H CYS 12 H CYS 12 5.340 -4.500 4.250
90 HA CYS 12 HA CYS 12 3.178 -4.395 6.083
91 HB2 CYS 12 2HB CYS 12 2.954 -5.850 4.178
92 HB3 CYS 12 1HB CYS 12 4.438 -6.708 4.568
93 H ASN 13 H ASN 13 2.892 -5.451 8.004
94 HA ASN 13 HA ASN 13 5.283 -5.848 9.634
95 HB2 ASN 13 2HB ASN 13 3.606 -5.954 11.534
96 HB3 ASN 13 1HB ASN 13 3.630 -4.440 10.637
97 HD21 ASN 13 1HD2 ASN 13 1.529 -3.905 11.312
98 HD22 ASN 13 2HD2 ASN 13 0.131 -4.704 10.686
99 H LYS 14 H LYS 14 2.742 -7.716 8.118
100 HA LYS 14 HA LYS 14 3.460 -10.200 9.501
101 HB2 LYS 14 2HB LYS 14 1.342 -9.647 7.388
102 HB3 LYS 14 1HB LYS 14 1.629 -11.224 8.124
103 HG2 LYS 14 2HG LYS 14 1.118 -10.133 10.377
104 HG3 LYS 14 1HG LYS 14 0.591 -8.709 9.476
105 HD2 LYS 14 2HD LYS 14 -0.611 -11.507 9.311
106 HD3 LYS 14 1HD LYS 14 -1.344 -10.099 10.079
107 HE2 LYS 14 2HE LYS 14 -1.569 -8.994 7.917
108 HE3 LYS 14 1HE LYS 14 -0.722 -10.310 7.113
109 HZ1 LYS 14 3HZ LYS 14 -3.371 -10.449 8.441
110 HZ2 LYS 14 1HZ LYS 14 -2.542 -11.789 7.845
111 HZ3 LYS 14 2HZ LYS 14 -3.054 -10.581 6.783
112 H CYS 15 H CYS 15 2.959 -9.553 5.886
113 HA CYS 15 HA CYS 15 4.786 -11.738 5.308
114 HB2 CYS 15 2HB CYS 15 4.292 -11.170 2.926
115 HB3 CYS 15 1HB CYS 15 2.843 -11.405 3.900
116 H GLY 16 H GLY 16 5.018 -8.243 5.393
117 HA2 GLY 16 2HA GLY 16 6.923 -6.951 5.636
118 HA3 GLY 16 1HA GLY 16 7.924 -8.355 5.306
119 H VAL 17 H VAL 17 5.333 -7.181 3.172
120 HA VAL 17 HA VAL 17 7.357 -6.640 1.072
121 HB VAL 17 HB VAL 17 5.567 -6.860 -0.583
122 HG11 VAL 17 1HG1 VAL 17 5.543 -9.170 1.386
123 HG12 VAL 17 2HG1 VAL 17 6.772 -8.873 0.153
124 HG13 VAL 17 3HG1 VAL 17 5.118 -9.253 -0.329
125 HG21 VAL 17 3HG2 VAL 17 3.653 -5.955 0.644
126 HG22 VAL 17 1HG2 VAL 17 3.677 -7.318 1.765
127 HG23 VAL 17 2HG2 VAL 17 3.261 -7.575 0.068
128 H GLN 18 H GLN 18 7.200 -4.808 -0.268
129 HA GLN 18 HA GLN 18 5.958 -2.412 0.913
130 HB2 GLN 18 2HB GLN 18 8.464 -2.589 0.078
131 HB3 GLN 18 1HB GLN 18 7.779 -2.438 -1.531
132 HG2 GLN 18 2HG GLN 18 8.419 -0.252 -0.922
133 HG3 GLN 18 1HG GLN 18 6.674 -0.275 -0.710
134 HE21 GLN 18 1HE2 GLN 18 9.007 -1.706 1.545
135 HE22 GLN 18 2HE2 GLN 18 8.679 -0.604 2.827
136 H ASN 19 H ASN 19 4.037 -1.774 0.054
137 HA ASN 19 HA ASN 19 2.824 -3.292 -2.098
138 HB2 ASN 19 2HB ASN 19 0.760 -2.183 -1.525
139 HB3 ASN 19 1HB ASN 19 1.575 -2.523 -0.003
140 HD21 ASN 19 1HD2 ASN 19 -0.435 -0.435 -0.840
141 HD22 ASN 19 2HD2 ASN 19 0.254 1.054 -0.309
142 H PHE 20 H PHE 20 1.330 -1.826 -3.646
143 HA PHE 20 HA PHE 20 3.037 -0.017 -5.160
144 HB2 PHE 20 2HB PHE 20 1.597 -1.660 -6.346
145 HB3 PHE 20 1HB PHE 20 0.161 -0.914 -5.660
146 HD1 PHE 20 2HD PHE 20 3.216 0.440 -7.402
147 HD2 PHE 20 1HD PHE 20 -1.061 0.219 -7.337
148 HE1 PHE 20 2HE PHE 20 3.096 2.010 -9.291
149 HE2 PHE 20 1HE PHE 20 -1.169 1.801 -9.226
150 HZ PHE 20 HZ PHE 20 0.910 2.695 -10.200
151 H LYS 21 H LYS 21 2.551 0.994 -2.582
152 HA LYS 21 HA LYS 21 1.777 2.638 -1.253
153 HB2 LYS 21 2HB LYS 21 2.164 4.915 -2.185
154 HB3 LYS 21 1HB LYS 21 3.460 3.789 -2.477
155 HG2 LYS 21 2HG LYS 21 3.332 5.041 -4.436
156 HG3 LYS 21 1HG LYS 21 2.540 3.517 -4.836
157 HD2 LYS 21 2HD LYS 21 0.321 4.626 -4.510
158 HD3 LYS 21 1HD LYS 21 1.155 6.151 -4.178
159 HE2 LYS 21 2HE LYS 21 1.194 4.574 -6.763
160 HE3 LYS 21 1HE LYS 21 0.439 6.143 -6.480
161 HZ1 LYS 21 3HZ LYS 21 2.688 7.017 -6.004
162 HZ2 LYS 21 1HZ LYS 21 2.501 6.481 -7.595
163 HZ3 LYS 21 2HZ LYS 21 3.343 5.538 -6.476
164 H ARG 22 H ARG 22 -0.469 1.342 -2.783
165 HA ARG 22 HA ARG 22 -2.550 3.385 -2.441
166 HB2 ARG 22 2HB ARG 22 -1.716 3.396 -4.870
167 HB3 ARG 22 1HB ARG 22 -2.311 1.747 -5.016
168 HG2 ARG 22 2HG ARG 22 -3.947 3.251 -5.968
169 HG3 ARG 22 1HG ARG 22 -4.617 2.576 -4.482
170 HD2 ARG 22 2HD ARG 22 -3.796 4.717 -3.315
171 HD3 ARG 22 1HD ARG 22 -3.503 5.362 -4.933
172 HE ARG 22 HE ARG 22 -6.109 4.511 -4.990
173 HH11 ARG 22 1HH1 ARG 22 -4.312 6.774 -2.957
174 HH12 ARG 22 2HH1 ARG 22 -5.698 7.765 -2.634
175 HH21 ARG 22 1HH2 ARG 22 -7.910 5.808 -4.540
176 HH22 ARG 22 2HH2 ARG 22 -7.741 7.212 -3.535
177 H ARG 23 H ARG 23 -1.610 0.033 -3.011
178 HA ARG 23 HA ARG 23 -3.939 -1.348 -2.383
179 HB2 ARG 23 2HB ARG 23 -1.033 -2.027 -1.729
180 HB3 ARG 23 1HB ARG 23 -2.363 -3.165 -1.555
181 HG2 ARG 23 2HG ARG 23 -1.541 -1.880 -4.180
182 HG3 ARG 23 1HG ARG 23 -1.018 -3.474 -3.634
183 HD2 ARG 23 2HD ARG 23 -3.331 -4.275 -3.647
184 HD3 ARG 23 1HD ARG 23 -3.909 -2.662 -4.089
185 HE ARG 23 HE ARG 23 -1.998 -3.800 -5.935
186 HH11 ARG 23 1HH1 ARG 23 -5.427 -3.574 -5.150
187 HH12 ARG 23 2HH1 ARG 23 -5.937 -3.949 -6.763
188 HH21 ARG 23 1HH2 ARG 23 -2.686 -4.246 -8.044
189 HH22 ARG 23 2HH2 ARG 23 -4.385 -4.328 -8.401
190 H GLU 24 H GLU 24 -5.193 -0.752 -0.736
191 HA GLU 24 HA GLU 24 -4.479 0.406 1.704
192 HB2 GLU 24 2HB GLU 24 -6.744 0.541 0.828
193 HB3 GLU 24 1HB GLU 24 -6.944 -1.206 0.928
194 HG2 GLU 24 2HG GLU 24 -6.897 -1.099 3.376
195 HG3 GLU 24 1HG GLU 24 -6.577 0.636 3.313
196 H LYS 25 H LYS 25 -5.369 -2.982 1.020
197 HA LYS 25 HA LYS 25 -3.767 -3.873 3.340
198 HB2 LYS 25 2HB LYS 25 -5.783 -5.409 1.646
199 HB3 LYS 25 1HB LYS 25 -4.760 -6.151 2.861
200 HG2 LYS 25 2HG LYS 25 -6.834 -5.903 3.924
201 HG3 LYS 25 1HG LYS 25 -5.854 -4.586 4.561
202 HD2 LYS 25 2HD LYS 25 -8.124 -3.815 4.073
203 HD3 LYS 25 1HD LYS 25 -6.972 -3.011 3.002
204 HE2 LYS 25 2HE LYS 25 -7.575 -4.589 1.188
205 HE3 LYS 25 1HE LYS 25 -8.712 -5.397 2.273
206 HZ1 LYS 25 3HZ LYS 25 -9.984 -3.366 2.419
207 HZ2 LYS 25 1HZ LYS 25 -9.821 -3.834 0.806
208 HZ3 LYS 25 2HZ LYS 25 -8.892 -2.559 1.409
209 H CYS 26 H CYS 26 -2.324 -5.779 2.956
210 HA CYS 26 HA CYS 26 -0.615 -5.585 0.743
211 HB2 CYS 26 2HB CYS 26 -1.064 -7.749 2.813
212 HB3 CYS 26 1HB CYS 26 0.014 -8.050 1.458
213 H PHE 27 H PHE 27 -0.508 -6.664 -1.172
214 HA PHE 27 HA PHE 27 -2.896 -7.314 -2.508
215 HB2 PHE 27 2HB PHE 27 -1.453 -7.765 -4.466
216 HB3 PHE 27 1HB PHE 27 -1.010 -6.271 -3.661
217 HD1 PHE 27 1HD PHE 27 1.056 -6.271 -2.118
218 HD2 PHE 27 2HD PHE 27 0.200 -9.475 -4.826
219 HE1 PHE 27 1HE PHE 27 3.400 -6.996 -2.018
220 HE2 PHE 27 2HE PHE 27 2.549 -10.188 -4.704
221 HZ PHE 27 HZ PHE 27 4.144 -8.954 -3.301
222 H LYS 28 H LYS 28 -1.034 -9.364 -0.508
223 HA LYS 28 HA LYS 28 -2.630 -11.648 -1.413
224 HB2 LYS 28 2HB LYS 28 -0.505 -13.156 -0.970
225 HB3 LYS 28 1HB LYS 28 -0.738 -12.371 -2.519
226 HG2 LYS 28 2HG LYS 28 1.584 -12.237 -1.867
227 HG3 LYS 28 1HG LYS 28 0.882 -10.622 -1.912
228 HD2 LYS 28 2HD LYS 28 0.788 -10.585 0.523
229 HD3 LYS 28 1HD LYS 28 1.348 -12.258 0.607
230 HE2 LYS 28 2HE LYS 28 2.961 -9.973 -0.569
231 HE3 LYS 28 1HE LYS 28 3.123 -10.558 1.083
232 HZ1 LYS 28 3HZ LYS 28 4.813 -11.527 -0.312
233 HZ2 LYS 28 1HZ LYS 28 3.652 -12.137 -1.383
234 HZ3 LYS 28 2HZ LYS 28 3.751 -12.741 0.189
235 H CYS 29 H CYS 29 -0.670 -10.234 1.240
236 HA CYS 29 HA CYS 29 -1.441 -12.323 3.097
237 HB2 CYS 29 2HB CYS 29 0.830 -11.412 2.991
238 HB3 CYS 29 1HB CYS 29 0.221 -9.810 3.406
239 H GLY 30 H GLY 30 -2.365 -9.020 2.351
240 HA2 GLY 30 2HA GLY 30 -4.343 -7.975 2.714
241 HA3 GLY 30 1HA GLY 30 -4.922 -9.428 3.503
242 H VAL 31 H VAL 31 -2.090 -7.626 4.728
243 HA VAL 31 HA VAL 31 -3.582 -6.851 7.111
244 HB VAL 31 HB VAL 31 -1.254 -7.535 7.453
245 HG11 VAL 31 1HG1 VAL 31 -0.226 -6.844 5.354
246 HG12 VAL 31 2HG1 VAL 31 0.666 -6.187 6.727
247 HG13 VAL 31 3HG1 VAL 31 -0.413 -5.144 5.797
248 HG21 VAL 31 3HG2 VAL 31 -2.213 -5.951 9.062
249 HG22 VAL 31 1HG2 VAL 31 -1.652 -4.589 8.089
250 HG23 VAL 31 2HG2 VAL 31 -0.483 -5.656 8.872
251 HA PRO 32 HA PRO 32 -4.726 -2.809 5.298
252 HB2 PRO 32 2HB PRO 32 -5.677 -1.684 7.677
253 HB3 PRO 32 1HB PRO 32 -6.643 -2.737 6.624
254 HG2 PRO 32 2HG PRO 32 -5.127 -3.451 9.115
255 HG3 PRO 32 1HG PRO 32 -6.752 -3.957 8.610
256 HD2 PRO 32 2HD PRO 32 -4.655 -5.607 8.320
257 HD3 PRO 32 1HD PRO 32 -5.942 -5.546 7.092
258 H LYS 33 H LYS 33 -3.622 -0.902 5.155
259 HA LYS 33 HA LYS 33 -1.053 -0.536 6.161
260 HB2 LYS 33 2HB LYS 33 -1.918 0.673 4.164
261 HB3 LYS 33 1HB LYS 33 -2.954 1.652 5.201
262 HG2 LYS 33 2HG LYS 33 -0.822 2.456 6.372
263 HG3 LYS 33 1HG LYS 33 0.082 1.643 5.096
264 HD2 LYS 33 2HD LYS 33 -0.069 3.974 4.503
265 HD3 LYS 33 1HD LYS 33 -1.138 3.085 3.412
266 HE2 LYS 33 2HE LYS 33 -3.074 3.719 4.842
267 HE3 LYS 33 1HE LYS 33 -1.981 4.634 5.881
268 HZ1 LYS 33 3HZ LYS 33 -2.355 5.178 2.988
269 HZ2 LYS 33 1HZ LYS 33 -1.466 6.101 4.090
270 HZ3 LYS 33 2HZ LYS 33 -3.149 6.016 4.222
271 H SER 34 H SER 34 -4.156 0.493 7.476
272 HA SER 34 HA SER 34 -3.298 2.266 9.459
273 HB2 SER 34 2HB SER 34 -5.647 2.036 8.753
274 HB3 SER 34 1HB SER 34 -5.725 0.423 9.462
275 HG SER 34 HG SER 34 -6.308 1.421 11.209
276 H GLU 35 H GLU 35 -3.439 -1.276 9.467
277 HA GLU 35 HA GLU 35 -2.616 -1.593 12.251
278 HB2 GLU 35 2HB GLU 35 -4.161 -3.206 11.146
279 HB3 GLU 35 1HB GLU 35 -2.934 -3.576 9.947
280 HG2 GLU 35 2HG GLU 35 -3.044 -5.397 11.523
281 HG3 GLU 35 1HG GLU 35 -1.511 -4.560 11.745
282 H ALA 36 H ALA 36 -1.098 -1.232 9.143
283 HA ALA 36 HA ALA 36 1.356 -2.664 9.748
284 HB1 ALA 36 1HB ALA 36 2.060 -1.971 7.500
285 HB2 ALA 36 2HB ALA 36 0.652 -0.911 7.368
286 HB3 ALA 36 3HB ALA 36 0.436 -2.661 7.467
287 H GLU 37 H GLU 37 0.263 0.682 9.620
288 HA GLU 37 HA GLU 37 2.831 1.913 9.933
289 HB2 GLU 37 2HB GLU 37 0.017 3.030 10.337
290 HB3 GLU 37 1HB GLU 37 1.486 4.002 10.379
291 HG2 GLU 37 2HG GLU 37 0.475 2.436 7.983
292 HG3 GLU 37 1HG GLU 37 0.300 4.175 8.216
293 H GLN 38 H GLN 38 3.881 2.468 11.758
294 HA GLN 38 HA GLN 38 3.074 1.388 14.299
295 HB2 GLN 38 2HB GLN 38 5.460 3.173 13.609
296 HB3 GLN 38 1HB GLN 38 5.193 2.406 15.171
297 HG2 GLN 38 2HG GLN 38 6.778 1.021 14.128
298 HG3 GLN 38 1HG GLN 38 5.265 0.158 13.896
299 HE21 GLN 38 1HE2 GLN 38 4.444 -0.048 11.775
300 HE22 GLN 38 2HE2 GLN 38 5.382 0.348 10.382
301 H LYS 39 H LYS 39 1.185 2.417 14.864
302 HA LYS 39 HA LYS 39 1.065 5.358 15.034
303 HB2 LYS 39 2HB LYS 39 -1.106 3.230 15.259
304 HB3 LYS 39 1HB LYS 39 -1.392 4.967 15.371
305 HG2 LYS 39 2HG LYS 39 -0.505 5.203 13.030
306 HG3 LYS 39 1HG LYS 39 -0.400 3.440 12.937
307 HD2 LYS 39 2HD LYS 39 -2.834 3.261 13.287
308 HD3 LYS 39 1HD LYS 39 -2.959 5.013 13.465
309 HE2 LYS 39 2HE LYS 39 -2.159 5.258 11.112
310 HE3 LYS 39 1HE LYS 39 -2.162 3.498 10.961
311 HZ1 LYS 39 3HZ LYS 39 -4.553 3.532 11.472
312 HZ2 LYS 39 1HZ LYS 39 -4.188 4.406 10.074
313 HZ3 LYS 39 2HZ LYS 39 -4.521 5.219 11.512
314 H LEU 40 H LEU 40 -0.372 6.147 16.893
315 HA LEU 40 HA LEU 40 0.622 5.278 19.486
316 HB2 LEU 40 2HB LEU 40 -1.281 7.516 18.639
317 HB3 LEU 40 1HB LEU 40 -0.860 7.191 20.310
318 HG LEU 40 HG LEU 40 1.597 7.639 19.646
319 HD11 LEU 40 1HD1 LEU 40 0.346 8.858 17.174
320 HD12 LEU 40 2HD1 LEU 40 1.398 7.442 17.223
321 HD13 LEU 40 3HD1 LEU 40 2.032 9.022 17.680
322 HD21 LEU 40 3HD2 LEU 40 1.372 10.076 19.852
323 HD22 LEU 40 1HD2 LEU 40 0.303 9.231 20.972
324 HD23 LEU 40 2HD2 LEU 40 -0.356 9.956 19.503
325 HA PRO 41 HA PRO 41 -2.755 2.580 20.861
326 HB2 PRO 41 2HB PRO 41 -3.266 4.601 23.064
327 HB3 PRO 41 1HB PRO 41 -3.124 2.829 23.174
328 HG2 PRO 41 2HG PRO 41 -1.076 4.323 23.902
329 HG3 PRO 41 1HG PRO 41 -0.793 2.859 22.932
330 HD2 PRO 41 2HD PRO 41 -0.724 5.738 22.053
331 HD3 PRO 41 1HD PRO 41 0.287 4.369 21.534
332 H LEU 42 H LEU 42 -4.192 2.808 19.193
333 HA LEU 42 HA LEU 42 -6.619 4.422 19.580
334 HB2 LEU 42 2HB LEU 42 -4.938 5.635 18.042
335 HB3 LEU 42 1HB LEU 42 -5.164 4.338 16.890
336 HG LEU 42 HG LEU 42 -7.423 6.171 17.828
337 HD11 LEU 42 1HD1 LEU 42 -5.742 7.526 16.708
338 HD12 LEU 42 2HD1 LEU 42 -7.176 7.381 15.698
339 HD13 LEU 42 3HD1 LEU 42 -5.734 6.432 15.321
340 HD21 LEU 42 3HD2 LEU 42 -7.304 4.300 15.437
341 HD22 LEU 42 1HD2 LEU 42 -8.631 5.402 15.822
342 HD23 LEU 42 2HD2 LEU 42 -8.258 4.063 16.902
343 H GLY 43 H GLY 43 -4.984 2.090 17.397
344 HA2 GLY 43 2HA GLY 43 -7.559 0.812 16.736
345 HA3 GLY 43 1HA GLY 43 -6.059 0.688 15.834
Start of MODEL 6
1 H1 GLY 1 H GLY 1 17.986 15.490 7.214
2 HA2 GLY 1 1HA GLY 1 19.304 16.543 4.920
3 HA3 GLY 1 2HA GLY 1 18.873 14.871 4.582
4 H HIS 2 H HIS 2 17.573 16.017 2.885
5 HA HIS 2 HA HIS 2 14.922 16.904 3.895
6 HB2 HIS 2 2HB HIS 2 16.243 18.563 2.494
7 HB3 HIS 2 1HB HIS 2 16.166 17.429 1.153
8 HD1 HIS 2 1HD HIS 2 14.634 18.586 -0.460
9 HD2 HIS 2 2HD HIS 2 13.147 18.656 3.420
10 HE1 HIS 2 1HE HIS 2 12.376 19.669 -0.615
11 HE2 HIS 2 2HE HIS 2 11.622 19.918 1.772
12 H MET 3 H MET 3 13.587 15.172 3.885
13 HA MET 3 HA MET 3 13.854 13.030 1.889
14 HB2 MET 3 2HB MET 3 12.283 11.757 3.283
15 HB3 MET 3 1HB MET 3 13.590 12.379 4.277
16 HG2 MET 3 2HG MET 3 12.141 14.103 5.184
17 HG3 MET 3 1HG MET 3 10.840 13.637 4.087
18 HE1 MET 3 3HE MET 3 9.736 10.157 5.491
19 HE2 MET 3 1HE MET 3 10.900 10.420 4.191
20 HE3 MET 3 2HE MET 3 9.442 11.409 4.284
21 HA PRO 4 HA PRO 4 10.295 14.340 -0.629
22 HB2 PRO 4 2HB PRO 4 9.562 11.415 -0.691
23 HB3 PRO 4 1HB PRO 4 9.814 12.547 -2.041
24 HG2 PRO 4 2HG PRO 4 11.656 10.715 -1.492
25 HG3 PRO 4 1HG PRO 4 12.140 12.366 -1.948
26 HD2 PRO 4 2HD PRO 4 12.053 11.123 0.799
27 HD3 PRO 4 1HD PRO 4 13.294 12.172 0.077
28 H LYS 5 H LYS 5 8.264 14.964 -0.168
29 HA LYS 5 HA LYS 5 7.064 14.215 2.413
30 HB2 LYS 5 2HB LYS 5 5.738 16.261 2.133
31 HB3 LYS 5 1HB LYS 5 7.448 16.604 1.889
32 HG2 LYS 5 2HG LYS 5 7.082 16.547 -0.579
33 HG3 LYS 5 1HG LYS 5 5.359 16.282 -0.297
34 HD2 LYS 5 2HD LYS 5 5.186 18.469 0.818
35 HD3 LYS 5 1HD LYS 5 6.924 18.727 0.624
36 HE2 LYS 5 2HE LYS 5 4.880 18.496 -1.615
37 HE3 LYS 5 1HE LYS 5 5.678 19.973 -1.079
38 HZ1 LYS 5 3HZ LYS 5 7.812 18.968 -1.758
39 HZ2 LYS 5 1HZ LYS 5 6.737 19.156 -3.048
40 HZ3 LYS 5 2HZ LYS 5 6.978 17.627 -2.367
41 H ILE 6 H ILE 6 6.880 12.755 -0.373
42 HA ILE 6 HA ILE 6 3.967 12.298 -0.384
43 HB ILE 6 HB ILE 6 4.253 13.914 -2.151
44 HG12 ILE 6 2HG1 ILE 6 4.078 11.126 -3.395
45 HG13 ILE 6 1HG1 ILE 6 2.742 12.056 -2.728
46 HG21 ILE 6 1HG2 ILE 6 5.861 13.711 -4.000
47 HG22 ILE 6 2HG2 ILE 6 6.520 12.242 -3.277
48 HG23 ILE 6 3HG2 ILE 6 6.683 13.788 -2.440
49 HD11 ILE 6 3HD1 ILE 6 2.697 12.111 -5.134
50 HD12 ILE 6 1HD1 ILE 6 4.338 12.753 -5.198
51 HD13 ILE 6 2HD1 ILE 6 3.032 13.724 -4.509
52 H ASN 7 H ASN 7 3.516 10.210 -0.362
53 HA ASN 7 HA ASN 7 3.671 7.957 -0.286
54 HB2 ASN 7 2HB ASN 7 3.116 8.368 -2.664
55 HB3 ASN 7 1HB ASN 7 4.831 8.363 -3.070
56 HD21 ASN 7 1HD2 ASN 7 4.622 6.608 -4.489
57 HD22 ASN 7 2HD2 ASN 7 4.336 4.996 -3.941
58 H GLU 8 H GLU 8 5.176 7.633 1.381
59 HA GLU 8 HA GLU 8 7.959 7.007 0.724
60 HB2 GLU 8 2HB GLU 8 6.909 8.094 2.949
61 HB3 GLU 8 1HB GLU 8 6.694 6.416 3.418
62 HG2 GLU 8 2HG GLU 8 9.356 7.656 2.652
63 HG3 GLU 8 1HG GLU 8 8.768 7.536 4.308
64 H ASP 9 H ASP 9 4.944 5.509 0.580
65 HA ASP 9 HA ASP 9 4.092 3.484 0.298
66 HB2 ASP 9 2HB ASP 9 6.007 3.001 -1.252
67 HB3 ASP 9 1HB ASP 9 6.947 2.412 0.115
68 H TRP 10 H TRP 10 3.730 1.375 1.382
69 HA TRP 10 HA TRP 10 4.631 1.432 4.201
70 HB2 TRP 10 2HB TRP 10 2.505 0.400 4.810
71 HB3 TRP 10 1HB TRP 10 2.230 1.917 3.972
72 HD1 TRP 10 HD TRP 10 1.268 1.663 1.345
73 HE1 TRP 10 1HE TRP 10 -0.325 -0.108 0.398
74 HE3 TRP 10 3HE TRP 10 1.999 -1.975 4.808
75 HZ2 TRP 10 2HZ TRP 10 -1.170 -2.720 1.052
76 HZ3 TRP 10 3HZ TRP 10 0.779 -4.085 4.581
77 HH2 TRP 10 HH TRP 10 -0.769 -4.450 2.743
78 H LEU 11 H LEU 11 5.824 -0.165 4.778
79 HA LEU 11 HA LEU 11 6.143 -2.598 3.177
80 HB2 LEU 11 2HB LEU 11 8.028 -1.041 4.284
81 HB3 LEU 11 1HB LEU 11 7.687 -1.979 5.719
82 HG LEU 11 HG LEU 11 9.668 -2.837 4.560
83 HD11 LEU 11 1HD1 LEU 11 7.402 -4.821 4.294
84 HD12 LEU 11 2HD1 LEU 11 8.316 -4.474 5.763
85 HD13 LEU 11 3HD1 LEU 11 9.128 -5.196 4.378
86 HD21 LEU 11 3HD2 LEU 11 9.132 -2.099 2.279
87 HD22 LEU 11 1HD2 LEU 11 7.892 -3.351 2.152
88 HD23 LEU 11 2HD2 LEU 11 9.593 -3.799 2.312
89 H CYS 12 H CYS 12 5.186 -4.498 3.833
90 HA CYS 12 HA CYS 12 3.204 -4.546 5.826
91 HB2 CYS 12 2HB CYS 12 3.031 -6.087 3.953
92 HB3 CYS 12 1HB CYS 12 4.549 -6.865 4.381
93 H ASN 13 H ASN 13 3.079 -5.683 7.775
94 HA ASN 13 HA ASN 13 5.624 -6.115 9.214
95 HB2 ASN 13 2HB ASN 13 4.184 -5.944 11.292
96 HB3 ASN 13 1HB ASN 13 4.243 -4.479 10.324
97 HD21 ASN 13 1HD2 ASN 13 2.403 -3.801 9.233
98 HD22 ASN 13 2HD2 ASN 13 0.830 -4.419 9.590
99 H LYS 14 H LYS 14 2.856 -7.782 7.932
100 HA LYS 14 HA LYS 14 3.332 -10.174 9.557
101 HB2 LYS 14 2HB LYS 14 1.173 -9.612 7.491
102 HB3 LYS 14 1HB LYS 14 1.332 -11.121 8.392
103 HG2 LYS 14 2HG LYS 14 1.233 -9.545 10.504
104 HG3 LYS 14 1HG LYS 14 0.508 -8.391 9.389
105 HD2 LYS 14 2HD LYS 14 -0.567 -11.199 9.902
106 HD3 LYS 14 1HD LYS 14 -1.125 -9.760 10.750
107 HE2 LYS 14 2HE LYS 14 -2.727 -10.181 9.054
108 HE3 LYS 14 1HE LYS 14 -1.778 -8.821 8.473
109 HZ1 LYS 14 3HZ LYS 14 -0.575 -10.297 7.021
110 HZ2 LYS 14 1HZ LYS 14 -2.236 -10.477 6.752
111 HZ3 LYS 14 2HZ LYS 14 -1.389 -11.642 7.636
112 H CYS 15 H CYS 15 2.980 -9.670 5.898
113 HA CYS 15 HA CYS 15 4.654 -12.030 5.492
114 HB2 CYS 15 2HB CYS 15 4.305 -11.508 3.069
115 HB3 CYS 15 1HB CYS 15 2.808 -11.687 3.979
116 H GLY 16 H GLY 16 5.012 -8.538 5.409
117 HA2 GLY 16 2HA GLY 16 6.950 -7.289 5.617
118 HA3 GLY 16 1HA GLY 16 7.916 -8.744 5.412
119 H VAL 17 H VAL 17 5.387 -7.745 3.177
120 HA VAL 17 HA VAL 17 7.352 -7.594 0.993
121 HB VAL 17 HB VAL 17 5.469 -7.742 -0.549
122 HG11 VAL 17 1HG1 VAL 17 4.610 -9.979 0.042
123 HG12 VAL 17 2HG1 VAL 17 5.197 -9.773 1.695
124 HG13 VAL 17 3HG1 VAL 17 6.343 -9.846 0.355
125 HG21 VAL 17 3HG2 VAL 17 3.119 -7.968 0.251
126 HG22 VAL 17 1HG2 VAL 17 3.804 -6.383 0.619
127 HG23 VAL 17 2HG2 VAL 17 3.656 -7.594 1.892
128 H GLN 18 H GLN 18 6.944 -5.980 -0.718
129 HA GLN 18 HA GLN 18 6.445 -3.261 0.348
130 HB2 GLN 18 2HB GLN 18 8.757 -3.774 -0.472
131 HB3 GLN 18 1HB GLN 18 8.113 -4.204 -2.050
132 HG2 GLN 18 2HG GLN 18 7.685 -1.435 -0.907
133 HG3 GLN 18 1HG GLN 18 9.205 -1.861 -1.693
134 HE21 GLN 18 1HE2 GLN 18 7.041 0.061 -2.401
135 HE22 GLN 18 2HE2 GLN 18 6.610 -0.327 -4.030
136 H ASN 19 H ASN 19 4.672 -2.226 -0.431
137 HA ASN 19 HA ASN 19 3.131 -3.435 -2.680
138 HB2 ASN 19 2HB ASN 19 2.101 -2.005 -0.183
139 HB3 ASN 19 1HB ASN 19 1.101 -2.557 -1.493
140 HD21 ASN 19 1HD2 ASN 19 2.973 -3.522 1.280
141 HD22 ASN 19 2HD2 ASN 19 2.382 -5.146 1.361
142 H PHE 20 H PHE 20 1.268 -1.231 -2.793
143 HA PHE 20 HA PHE 20 2.912 1.214 -3.071
144 HB2 PHE 20 2HB PHE 20 2.081 0.222 -5.286
145 HB3 PHE 20 1HB PHE 20 0.440 0.537 -4.737
146 HD1 PHE 20 1HD PHE 20 3.710 2.272 -5.325
147 HD2 PHE 20 2HD PHE 20 -0.544 2.614 -5.257
148 HE1 PHE 20 1HE PHE 20 3.882 4.545 -6.243
149 HE2 PHE 20 2HE PHE 20 -0.360 4.894 -6.173
150 HZ PHE 20 HZ PHE 20 1.846 5.862 -6.665
151 H LYS 21 H LYS 21 1.864 3.154 -2.169
152 HA LYS 21 HA LYS 21 0.124 2.493 0.020
153 HB2 LYS 21 2HB LYS 21 1.803 4.783 -0.696
154 HB3 LYS 21 1HB LYS 21 0.272 5.317 -0.021
155 HG2 LYS 21 2HG LYS 21 0.694 3.757 1.931
156 HG3 LYS 21 1HG LYS 21 2.305 3.478 1.276
157 HD2 LYS 21 2HD LYS 21 2.402 5.137 3.049
158 HD3 LYS 21 1HD LYS 21 2.799 5.901 1.507
159 HE2 LYS 21 2HE LYS 21 0.696 7.019 1.410
160 HE3 LYS 21 1HE LYS 21 -0.007 5.985 2.657
161 HZ1 LYS 21 3HZ LYS 21 0.539 8.173 3.512
162 HZ2 LYS 21 1HZ LYS 21 2.162 7.963 3.090
163 HZ3 LYS 21 2HZ LYS 21 1.465 6.980 4.279
164 H ARG 22 H ARG 22 -1.017 2.516 -2.901
165 HA ARG 22 HA ARG 22 -3.603 3.729 -2.107
166 HB2 ARG 22 2HB ARG 22 -2.794 2.529 -4.793
167 HB3 ARG 22 1HB ARG 22 -4.339 3.291 -4.436
168 HG2 ARG 22 2HG ARG 22 -1.626 4.650 -4.499
169 HG3 ARG 22 1HG ARG 22 -2.904 4.797 -5.709
170 HD2 ARG 22 2HD ARG 22 -3.104 5.702 -2.819
171 HD3 ARG 22 1HD ARG 22 -2.769 6.754 -4.193
172 HE ARG 22 HE ARG 22 -5.293 5.233 -3.888
173 HH11 ARG 22 1HH1 ARG 22 -3.627 8.237 -4.691
174 HH12 ARG 22 2HH1 ARG 22 -5.087 9.068 -5.120
175 HH21 ARG 22 1HH2 ARG 22 -7.184 6.320 -4.472
176 HH22 ARG 22 2HH2 ARG 22 -7.116 7.973 -4.996
177 H ARG 23 H ARG 23 -2.052 1.027 -1.421
178 HA ARG 23 HA ARG 23 -4.121 -0.953 -1.954
179 HB2 ARG 23 2HB ARG 23 -1.446 -1.130 -0.502
180 HB3 ARG 23 1HB ARG 23 -2.544 -2.492 -0.693
181 HG2 ARG 23 2HG ARG 23 -1.562 -1.002 -3.127
182 HG3 ARG 23 1HG ARG 23 -0.519 -2.186 -2.338
183 HD2 ARG 23 2HD ARG 23 -1.877 -3.046 -4.286
184 HD3 ARG 23 1HD ARG 23 -2.016 -3.965 -2.790
185 HE ARG 23 HE ARG 23 -4.241 -3.299 -2.580
186 HH11 ARG 23 1HH1 ARG 23 -2.842 -1.730 -5.430
187 HH12 ARG 23 2HH1 ARG 23 -4.384 -1.229 -6.044
188 HH21 ARG 23 1HH2 ARG 23 -6.227 -2.525 -3.355
189 HH22 ARG 23 2HH2 ARG 23 -6.294 -1.676 -4.864
190 H GLU 24 H GLU 24 -5.703 -1.378 -0.609
191 HA GLU 24 HA GLU 24 -6.092 -0.213 1.968
192 HB2 GLU 24 2HB GLU 24 -7.524 -2.696 0.888
193 HB3 GLU 24 1HB GLU 24 -8.090 -1.601 2.141
194 HG2 GLU 24 2HG GLU 24 -9.407 -1.012 0.312
195 HG3 GLU 24 1HG GLU 24 -8.130 0.200 0.267
196 H LYS 25 H LYS 25 -5.055 -3.324 0.729
197 HA LYS 25 HA LYS 25 -3.765 -4.114 3.244
198 HB2 LYS 25 2HB LYS 25 -5.726 -5.876 1.692
199 HB3 LYS 25 1HB LYS 25 -4.670 -6.455 2.978
200 HG2 LYS 25 2HG LYS 25 -5.821 -5.008 4.597
201 HG3 LYS 25 1HG LYS 25 -6.872 -4.394 3.315
202 HD2 LYS 25 2HD LYS 25 -7.782 -6.674 2.977
203 HD3 LYS 25 1HD LYS 25 -6.724 -7.289 4.253
204 HE2 LYS 25 2HE LYS 25 -7.873 -5.904 5.903
205 HE3 LYS 25 1HE LYS 25 -8.883 -5.196 4.643
206 HZ1 LYS 25 3HZ LYS 25 -9.799 -7.396 4.210
207 HZ2 LYS 25 1HZ LYS 25 -10.063 -6.921 5.816
208 HZ3 LYS 25 2HZ LYS 25 -8.860 -8.048 5.454
209 H CYS 26 H CYS 26 -2.345 -6.105 2.829
210 HA CYS 26 HA CYS 26 -0.624 -5.774 0.615
211 HB2 CYS 26 2HB CYS 26 -0.900 -7.926 2.707
212 HB3 CYS 26 1HB CYS 26 0.139 -8.226 1.318
213 H PHE 27 H PHE 27 -0.199 -7.129 -1.171
214 HA PHE 27 HA PHE 27 -2.514 -7.725 -2.680
215 HB2 PHE 27 2HB PHE 27 -0.953 -8.406 -4.482
216 HB3 PHE 27 1HB PHE 27 -0.544 -6.859 -3.775
217 HD1 PHE 27 1HD PHE 27 1.521 -6.568 -2.452
218 HD2 PHE 27 2HD PHE 27 0.574 -10.342 -4.236
219 HE1 PHE 27 1HE PHE 27 3.840 -7.310 -2.133
220 HE2 PHE 27 2HE PHE 27 2.897 -11.074 -3.896
221 HZ PHE 27 HZ PHE 27 4.531 -9.561 -2.848
222 H LYS 28 H LYS 28 -1.023 -9.710 -0.384
223 HA LYS 28 HA LYS 28 -2.633 -11.967 -1.244
224 HB2 LYS 28 2HB LYS 28 -0.683 -13.597 -1.037
225 HB3 LYS 28 1HB LYS 28 -0.685 -12.568 -2.456
226 HG2 LYS 28 2HG LYS 28 1.558 -12.606 -1.775
227 HG3 LYS 28 1HG LYS 28 0.969 -11.050 -1.204
228 HD2 LYS 28 2HD LYS 28 0.855 -11.889 1.063
229 HD3 LYS 28 1HD LYS 28 1.192 -13.538 0.534
230 HE2 LYS 28 2HE LYS 28 3.123 -11.215 0.263
231 HE3 LYS 28 1HE LYS 28 3.145 -12.395 1.573
232 HZ1 LYS 28 3HZ LYS 28 4.723 -13.086 -0.014
233 HZ2 LYS 28 1HZ LYS 28 3.644 -12.907 -1.306
234 HZ3 LYS 28 2HZ LYS 28 3.408 -14.132 -0.169
235 H CYS 29 H CYS 29 -0.655 -10.444 1.265
236 HA CYS 29 HA CYS 29 -1.215 -12.494 3.227
237 HB2 CYS 29 2HB CYS 29 0.952 -11.395 3.052
238 HB3 CYS 29 1HB CYS 29 0.202 -9.825 3.360
239 H GLY 30 H GLY 30 -2.471 -9.333 2.377
240 HA2 GLY 30 2HA GLY 30 -4.441 -8.320 2.927
241 HA3 GLY 30 1HA GLY 30 -4.904 -9.794 3.761
242 H VAL 31 H VAL 31 -2.012 -7.943 4.639
243 HA VAL 31 HA VAL 31 -3.104 -7.311 7.241
244 HB VAL 31 HB VAL 31 -0.699 -7.767 7.101
245 HG11 VAL 31 1HG1 VAL 31 -0.208 -6.938 4.859
246 HG12 VAL 31 2HG1 VAL 31 0.886 -6.215 6.038
247 HG13 VAL 31 3HG1 VAL 31 -0.460 -5.274 5.395
248 HG21 VAL 31 3HG2 VAL 31 -1.214 -4.871 7.884
249 HG22 VAL 31 1HG2 VAL 31 0.164 -5.850 8.400
250 HG23 VAL 31 2HG2 VAL 31 -1.469 -6.283 8.912
251 HA PRO 32 HA PRO 32 -5.093 -3.511 5.748
252 HB2 PRO 32 2HB PRO 32 -5.642 -2.447 8.287
253 HB3 PRO 32 1HB PRO 32 -6.666 -3.642 7.459
254 HG2 PRO 32 2HG PRO 32 -4.557 -4.095 9.554
255 HG3 PRO 32 1HG PRO 32 -6.173 -4.823 9.412
256 HD2 PRO 32 2HD PRO 32 -3.995 -6.187 8.656
257 HD3 PRO 32 1HD PRO 32 -5.507 -6.313 7.728
258 H LYS 33 H LYS 33 -4.282 -1.558 5.271
259 HA LYS 33 HA LYS 33 -1.541 -1.017 5.667
260 HB2 LYS 33 2HB LYS 33 -2.922 -0.393 3.633
261 HB3 LYS 33 1HB LYS 33 -3.662 0.885 4.589
262 HG2 LYS 33 2HG LYS 33 -0.930 1.377 4.923
263 HG3 LYS 33 1HG LYS 33 -1.015 0.790 3.270
264 HD2 LYS 33 2HD LYS 33 -1.155 3.224 3.324
265 HD3 LYS 33 1HD LYS 33 -2.679 2.547 2.734
266 HE2 LYS 33 2HE LYS 33 -3.814 3.051 4.753
267 HE3 LYS 33 1HE LYS 33 -2.313 3.215 5.665
268 HZ1 LYS 33 3HZ LYS 33 -1.827 5.230 4.462
269 HZ2 LYS 33 1HZ LYS 33 -3.322 5.347 5.242
270 HZ3 LYS 33 2HZ LYS 33 -3.259 5.082 3.574
271 H SER 34 H SER 34 -4.453 0.149 7.206
272 HA SER 34 HA SER 34 -3.521 2.357 8.647
273 HB2 SER 34 2HB SER 34 -5.889 1.858 8.474
274 HB3 SER 34 1HB SER 34 -5.684 0.307 9.284
275 HG SER 34 HG SER 34 -5.527 1.292 11.181
276 H GLU 35 H GLU 35 -3.405 -1.106 9.374
277 HA GLU 35 HA GLU 35 -1.965 -0.702 11.913
278 HB2 GLU 35 2HB GLU 35 -3.282 -3.109 10.597
279 HB3 GLU 35 1HB GLU 35 -2.209 -3.298 11.975
280 HG2 GLU 35 2HG GLU 35 -4.557 -3.320 12.669
281 HG3 GLU 35 1HG GLU 35 -3.687 -1.961 13.376
282 H ALA 36 H ALA 36 -0.914 -0.455 8.949
283 HA ALA 36 HA ALA 36 1.482 -2.181 9.254
284 HB1 ALA 36 1HB ALA 36 0.261 -1.085 6.709
285 HB2 ALA 36 2HB ALA 36 0.130 -2.746 7.293
286 HB3 ALA 36 3HB ALA 36 1.703 -2.100 6.825
287 H GLU 37 H GLU 37 0.351 1.046 8.215
288 HA GLU 37 HA GLU 37 2.962 2.269 8.438
289 HB2 GLU 37 2HB GLU 37 0.172 3.478 8.149
290 HB3 GLU 37 1HB GLU 37 1.638 4.448 8.278
291 HG2 GLU 37 2HG GLU 37 2.447 3.106 6.198
292 HG3 GLU 37 1HG GLU 37 0.749 2.658 6.012
293 H GLN 38 H GLN 38 2.875 4.412 9.904
294 HA GLN 38 HA GLN 38 2.725 3.614 12.650
295 HB2 GLN 38 2HB GLN 38 3.034 6.413 11.465
296 HB3 GLN 38 1HB GLN 38 3.386 5.949 13.129
297 HG2 GLN 38 2HG GLN 38 5.197 4.457 12.310
298 HG3 GLN 38 1HG GLN 38 4.858 4.972 10.659
299 HE21 GLN 38 1HE2 GLN 38 7.324 5.209 12.221
300 HE22 GLN 38 2HE2 GLN 38 7.719 6.892 12.233
301 H LYS 39 H LYS 39 1.538 5.323 14.202
302 HA LYS 39 HA LYS 39 -1.261 5.005 13.732
303 HB2 LYS 39 2HB LYS 39 -1.540 6.277 15.890
304 HB3 LYS 39 1HB LYS 39 -0.548 4.839 15.990
305 HG2 LYS 39 2HG LYS 39 0.712 6.247 17.289
306 HG3 LYS 39 1HG LYS 39 1.454 6.574 15.721
307 HD2 LYS 39 2HD LYS 39 -0.025 8.594 15.497
308 HD3 LYS 39 1HD LYS 39 -0.676 8.262 17.104
309 HE2 LYS 39 2HE LYS 39 1.547 8.593 18.088
310 HE3 LYS 39 1HE LYS 39 2.235 8.866 16.484
311 HZ1 LYS 39 3HZ LYS 39 0.779 10.799 16.259
312 HZ2 LYS 39 1HZ LYS 39 1.816 10.948 17.588
313 HZ3 LYS 39 2HZ LYS 39 0.191 10.552 17.823
314 H LEU 40 H LEU 40 -2.541 6.232 12.562
315 HA LEU 40 HA LEU 40 -1.803 8.846 11.569
316 HB2 LEU 40 2HB LEU 40 -4.243 7.070 11.202
317 HB3 LEU 40 1HB LEU 40 -4.238 8.725 10.622
318 HG LEU 40 HG LEU 40 -2.276 8.165 9.140
319 HD11 LEU 40 1HD1 LEU 40 -2.786 5.289 9.924
320 HD12 LEU 40 2HD1 LEU 40 -1.361 6.242 10.348
321 HD13 LEU 40 3HD1 LEU 40 -1.687 5.854 8.659
322 HD21 LEU 40 3HD2 LEU 40 -4.543 8.197 8.243
323 HD22 LEU 40 1HD2 LEU 40 -4.768 6.502 8.686
324 HD23 LEU 40 2HD2 LEU 40 -3.584 6.948 7.454
325 HA PRO 41 HA PRO 41 -3.885 11.244 14.811
326 HB2 PRO 41 2HB PRO 41 -4.619 13.511 13.404
327 HB3 PRO 41 1HB PRO 41 -2.951 13.182 13.918
328 HG2 PRO 41 2HG PRO 41 -4.213 12.724 11.227
329 HG3 PRO 41 1HG PRO 41 -2.622 13.419 11.616
330 HD2 PRO 41 2HD PRO 41 -2.885 10.841 10.826
331 HD3 PRO 41 1HD PRO 41 -1.649 11.330 12.006
332 H LEU 42 H LEU 42 -5.518 9.593 14.911
333 HA LEU 42 HA LEU 42 -8.074 10.080 13.500
334 HB2 LEU 42 2HB LEU 42 -6.957 7.859 13.214
335 HB3 LEU 42 1HB LEU 42 -7.035 7.606 14.947
336 HG LEU 42 HG LEU 42 -9.543 7.579 14.807
337 HD11 LEU 42 1HD1 LEU 42 -9.133 7.716 11.808
338 HD12 LEU 42 2HD1 LEU 42 -9.879 8.952 12.826
339 HD13 LEU 42 3HD1 LEU 42 -10.659 7.386 12.635
340 HD21 LEU 42 3HD2 LEU 42 -9.761 5.362 13.810
341 HD22 LEU 42 1HD2 LEU 42 -8.284 5.469 14.764
342 HD23 LEU 42 2HD2 LEU 42 -8.201 5.543 13.001
343 H GLY 43 H GLY 43 -6.504 10.256 16.562
344 HA2 GLY 43 2HA GLY 43 -8.974 11.023 17.939
345 HA3 GLY 43 1HA GLY 43 -8.120 9.616 18.569
Start of MODEL 7
1 H1 GLY 1 H GLY 1 18.840 10.279 -0.953
2 HA2 GLY 1 1HA GLY 1 20.092 8.040 -2.187
3 HA3 GLY 1 2HA GLY 1 19.517 7.539 -0.598
4 H HIS 2 H HIS 2 18.176 6.080 -2.043
5 HA HIS 2 HA HIS 2 15.922 7.392 -3.397
6 HB2 HIS 2 2HB HIS 2 15.372 5.116 -4.274
7 HB3 HIS 2 1HB HIS 2 16.991 5.648 -4.695
8 HD1 HIS 2 1HD HIS 2 15.146 3.084 -2.674
9 HD2 HIS 2 2HD HIS 2 19.066 4.040 -3.666
10 HE1 HIS 2 1HE HIS 2 16.515 1.079 -2.040
11 HE2 HIS 2 2HE HIS 2 18.894 1.775 -2.445
12 H MET 3 H MET 3 15.531 8.082 -0.991
13 HA MET 3 HA MET 3 13.262 6.459 0.001
14 HB2 MET 3 2HB MET 3 15.384 7.794 1.741
15 HB3 MET 3 1HB MET 3 13.849 7.209 2.358
16 HG2 MET 3 2HG MET 3 14.486 4.909 1.675
17 HG3 MET 3 1HG MET 3 16.058 5.530 1.154
18 HE1 MET 3 3HE MET 3 16.913 3.611 4.519
19 HE2 MET 3 1HE MET 3 17.323 3.768 2.812
20 HE3 MET 3 2HE MET 3 15.743 3.138 3.287
21 HA PRO 4 HA PRO 4 11.708 10.802 -0.614
22 HB2 PRO 4 2HB PRO 4 9.268 9.597 -1.734
23 HB3 PRO 4 1HB PRO 4 10.451 10.637 -2.547
24 HG2 PRO 4 2HG PRO 4 10.103 7.989 -3.161
25 HG3 PRO 4 1HG PRO 4 11.630 8.865 -3.411
26 HD2 PRO 4 2HD PRO 4 10.857 7.019 -1.155
27 HD3 PRO 4 1HD PRO 4 12.398 7.135 -2.038
28 H LYS 5 H LYS 5 9.459 11.653 0.137
29 HA LYS 5 HA LYS 5 8.471 10.122 2.498
30 HB2 LYS 5 2HB LYS 5 9.804 12.128 3.128
31 HB3 LYS 5 1HB LYS 5 8.723 13.151 2.194
32 HG2 LYS 5 2HG LYS 5 8.304 13.275 4.641
33 HG3 LYS 5 1HG LYS 5 6.892 12.718 3.734
34 HD2 LYS 5 2HD LYS 5 7.482 10.359 4.359
35 HD3 LYS 5 1HD LYS 5 8.807 10.979 5.347
36 HE2 LYS 5 2HE LYS 5 7.249 12.094 6.831
37 HE3 LYS 5 1HE LYS 5 5.893 11.715 5.762
38 HZ1 LYS 5 3HZ LYS 5 7.538 9.731 7.250
39 HZ2 LYS 5 1HZ LYS 5 6.264 9.358 6.199
40 HZ3 LYS 5 2HZ LYS 5 5.955 10.201 7.631
41 H ILE 6 H ILE 6 7.622 11.108 -0.539
42 HA ILE 6 HA ILE 6 4.848 11.866 -0.063
43 HB ILE 6 HB ILE 6 6.146 11.272 -2.778
44 HG12 ILE 6 2HG1 ILE 6 6.220 13.905 -2.947
45 HG13 ILE 6 1HG1 ILE 6 6.116 13.880 -1.195
46 HG21 ILE 6 1HG2 ILE 6 3.686 11.276 -2.848
47 HG22 ILE 6 2HG2 ILE 6 4.321 12.678 -3.712
48 HG23 ILE 6 3HG2 ILE 6 3.650 12.872 -2.092
49 HD11 ILE 6 3HD1 ILE 6 8.402 14.173 -1.994
50 HD12 ILE 6 1HD1 ILE 6 8.315 12.625 -2.837
51 HD13 ILE 6 2HD1 ILE 6 8.232 12.677 -1.075
52 H ASN 7 H ASN 7 6.544 9.017 -0.022
53 HA ASN 7 HA ASN 7 4.944 7.177 -1.433
54 HB2 ASN 7 2HB ASN 7 6.641 6.651 1.045
55 HB3 ASN 7 1HB ASN 7 6.065 5.438 -0.094
56 HD21 ASN 7 1HD2 ASN 7 6.998 5.385 -2.214
57 HD22 ASN 7 2HD2 ASN 7 8.531 6.118 -2.523
58 H GLU 8 H GLU 8 2.757 7.164 -1.036
59 HA GLU 8 HA GLU 8 1.530 6.777 1.521
60 HB2 GLU 8 2HB GLU 8 0.261 7.490 -0.519
61 HB3 GLU 8 1HB GLU 8 0.616 5.948 -1.276
62 HG2 GLU 8 2HG GLU 8 -1.674 5.944 -0.505
63 HG3 GLU 8 1HG GLU 8 -0.739 4.800 0.463
64 H ASP 9 H ASP 9 3.553 4.899 -0.484
65 HA ASP 9 HA ASP 9 3.094 2.237 -0.027
66 HB2 ASP 9 2HB ASP 9 5.798 3.646 0.036
67 HB3 ASP 9 1HB ASP 9 5.576 1.917 -0.193
68 H TRP 10 H TRP 10 3.809 0.761 1.498
69 HA TRP 10 HA TRP 10 4.777 1.601 4.093
70 HB2 TRP 10 2HB TRP 10 2.769 0.476 5.253
71 HB3 TRP 10 1HB TRP 10 2.476 2.054 4.537
72 HD1 TRP 10 HD TRP 10 0.987 2.085 2.208
73 HE1 TRP 10 1HE TRP 10 -0.837 0.483 1.393
74 HE3 TRP 10 3HE TRP 10 2.057 -1.939 5.160
75 HZ2 TRP 10 2HZ TRP 10 -1.729 -2.130 1.920
76 HZ3 TRP 10 3HZ TRP 10 0.677 -3.957 4.941
77 HH2 TRP 10 HH TRP 10 -1.171 -4.061 3.346
78 H LEU 11 H LEU 11 5.415 -0.156 5.383
79 HA LEU 11 HA LEU 11 6.083 -2.599 3.884
80 HB2 LEU 11 2HB LEU 11 7.759 -0.965 5.221
81 HB3 LEU 11 1HB LEU 11 7.243 -1.900 6.604
82 HG LEU 11 HG LEU 11 9.409 -2.674 5.654
83 HD11 LEU 11 1HD1 LEU 11 8.081 -4.309 6.875
84 HD12 LEU 11 2HD1 LEU 11 8.961 -5.080 5.557
85 HD13 LEU 11 3HD1 LEU 11 7.231 -4.761 5.396
86 HD21 LEU 11 3HD2 LEU 11 9.519 -3.779 3.473
87 HD22 LEU 11 1HD2 LEU 11 8.992 -2.104 3.304
88 HD23 LEU 11 2HD2 LEU 11 7.817 -3.414 3.180
89 H CYS 12 H CYS 12 4.970 -4.411 4.360
90 HA CYS 12 HA CYS 12 2.789 -4.538 6.118
91 HB2 CYS 12 2HB CYS 12 2.881 -6.004 4.185
92 HB3 CYS 12 1HB CYS 12 4.364 -6.760 4.753
93 H ASN 13 H ASN 13 2.456 -5.571 8.012
94 HA ASN 13 HA ASN 13 4.793 -5.999 9.776
95 HB2 ASN 13 2HB ASN 13 3.179 -5.502 11.613
96 HB3 ASN 13 1HB ASN 13 3.311 -4.178 10.463
97 HD21 ASN 13 1HD2 ASN 13 1.245 -6.637 11.743
98 HD22 ASN 13 2HD2 ASN 13 -0.219 -6.095 11.008
99 H LYS 14 H LYS 14 3.045 -7.849 7.874
100 HA LYS 14 HA LYS 14 3.198 -10.191 9.650
101 HB2 LYS 14 2HB LYS 14 0.917 -9.445 7.812
102 HB3 LYS 14 1HB LYS 14 1.316 -11.149 8.002
103 HG2 LYS 14 2HG LYS 14 1.088 -10.840 10.506
104 HG3 LYS 14 1HG LYS 14 0.465 -9.222 10.193
105 HD2 LYS 14 2HD LYS 14 -0.802 -11.727 9.026
106 HD3 LYS 14 1HD LYS 14 -1.263 -11.079 10.599
107 HE2 LYS 14 2HE LYS 14 -1.449 -9.526 7.992
108 HE3 LYS 14 1HE LYS 14 -2.787 -10.397 8.745
109 HZ1 LYS 14 3HZ LYS 14 -1.295 -8.147 9.991
110 HZ2 LYS 14 1HZ LYS 14 -2.574 -8.987 10.696
111 HZ3 LYS 14 2HZ LYS 14 -2.842 -8.046 9.320
112 H CYS 15 H CYS 15 2.763 -9.644 5.993
113 HA CYS 15 HA CYS 15 4.597 -11.843 5.501
114 HB2 CYS 15 2HB CYS 15 4.276 -11.324 3.138
115 HB3 CYS 15 1HB CYS 15 2.732 -11.373 3.979
116 H GLY 16 H GLY 16 4.866 -8.392 5.794
117 HA2 GLY 16 2HA GLY 16 6.688 -7.037 6.043
118 HA3 GLY 16 1HA GLY 16 7.720 -8.456 5.976
119 H VAL 17 H VAL 17 5.443 -7.210 3.527
120 HA VAL 17 HA VAL 17 7.695 -6.907 1.609
121 HB VAL 17 HB VAL 17 6.138 -7.275 -0.214
122 HG11 VAL 17 1HG1 VAL 17 7.114 -9.265 0.836
123 HG12 VAL 17 2HG1 VAL 17 5.512 -9.621 0.194
124 HG13 VAL 17 3HG1 VAL 17 5.733 -9.391 1.932
125 HG21 VAL 17 3HG2 VAL 17 4.138 -6.157 0.635
126 HG22 VAL 17 1HG2 VAL 17 3.916 -7.399 1.869
127 HG23 VAL 17 2HG2 VAL 17 3.718 -7.803 0.161
128 H GLN 18 H GLN 18 7.493 -5.223 0.009
129 HA GLN 18 HA GLN 18 6.280 -2.719 1.010
130 HB2 GLN 18 2HB GLN 18 8.813 -2.930 0.607
131 HB3 GLN 18 1HB GLN 18 8.466 -3.093 -1.104
132 HG2 GLN 18 2HG GLN 18 7.586 -0.668 0.471
133 HG3 GLN 18 1HG GLN 18 9.210 -0.790 -0.197
134 HE21 GLN 18 1HE2 GLN 18 7.148 1.136 -0.803
135 HE22 GLN 18 2HE2 GLN 18 6.808 1.018 -2.491
136 H ASN 19 H ASN 19 4.478 -2.023 -0.082
137 HA ASN 19 HA ASN 19 3.587 -3.528 -2.470
138 HB2 ASN 19 2HB ASN 19 1.320 -2.780 -1.873
139 HB3 ASN 19 1HB ASN 19 2.092 -3.496 -0.458
140 HD21 ASN 19 1HD2 ASN 19 2.962 -2.052 1.136
141 HD22 ASN 19 2HD2 ASN 19 2.274 -0.489 1.352
142 H PHE 20 H PHE 20 1.779 -1.803 -3.580
143 HA PHE 20 HA PHE 20 3.542 0.152 -4.910
144 HB2 PHE 20 2HB PHE 20 2.623 -1.795 -6.220
145 HB3 PHE 20 1HB PHE 20 0.996 -1.188 -5.936
146 HD1 PHE 20 1HD PHE 20 4.279 0.158 -7.185
147 HD2 PHE 20 2HD PHE 20 0.036 -0.030 -7.768
148 HE1 PHE 20 1HE PHE 20 4.495 1.540 -9.218
149 HE2 PHE 20 2HE PHE 20 0.270 1.349 -9.809
150 HZ PHE 20 HZ PHE 20 2.495 2.132 -10.526
151 H LYS 21 H LYS 21 2.392 0.927 -2.514
152 HA LYS 21 HA LYS 21 1.337 2.433 -1.317
153 HB2 LYS 21 2HB LYS 21 1.294 4.746 -2.178
154 HB3 LYS 21 1HB LYS 21 2.812 3.916 -2.366
155 HG2 LYS 21 2HG LYS 21 2.362 3.600 -4.756
156 HG3 LYS 21 1HG LYS 21 0.828 4.442 -4.566
157 HD2 LYS 21 2HD LYS 21 1.997 6.510 -3.924
158 HD3 LYS 21 1HD LYS 21 3.551 5.662 -3.946
159 HE2 LYS 21 2HE LYS 21 3.293 6.996 -5.973
160 HE3 LYS 21 1HE LYS 21 3.295 5.279 -6.374
161 HZ1 LYS 21 3HZ LYS 21 0.897 5.350 -6.556
162 HZ2 LYS 21 1HZ LYS 21 1.592 6.504 -7.579
163 HZ3 LYS 21 2HZ LYS 21 0.872 6.979 -6.122
164 H ARG 22 H ARG 22 -0.472 2.639 -4.422
165 HA ARG 22 HA ARG 22 -2.967 3.245 -3.171
166 HB2 ARG 22 2HB ARG 22 -2.152 2.344 -5.955
167 HB3 ARG 22 1HB ARG 22 -3.840 2.510 -5.531
168 HG2 ARG 22 2HG ARG 22 -1.773 4.742 -5.479
169 HG3 ARG 22 1HG ARG 22 -3.011 4.500 -6.715
170 HD2 ARG 22 2HD ARG 22 -4.766 4.811 -4.967
171 HD3 ARG 22 1HD ARG 22 -3.493 5.151 -3.790
172 HE ARG 22 HE ARG 22 -3.431 6.850 -6.131
173 HH11 ARG 22 1HH1 ARG 22 -4.770 6.502 -2.882
174 HH12 ARG 22 2HH1 ARG 22 -5.085 8.196 -2.701
175 HH21 ARG 22 1HH2 ARG 22 -3.893 9.076 -5.875
176 HH22 ARG 22 2HH2 ARG 22 -4.587 9.651 -4.397
177 H ARG 23 H ARG 23 -1.859 1.047 -1.802
178 HA ARG 23 HA ARG 23 -3.940 -1.010 -2.168
179 HB2 ARG 23 2HB ARG 23 -1.048 -1.347 -1.218
180 HB3 ARG 23 1HB ARG 23 -2.296 -2.512 -0.813
181 HG2 ARG 23 2HG ARG 23 -1.102 -3.407 -2.664
182 HG3 ARG 23 1HG ARG 23 -2.662 -2.873 -3.290
183 HD2 ARG 23 2HD ARG 23 -1.523 -0.754 -4.067
184 HD3 ARG 23 1HD ARG 23 0.012 -1.476 -3.587
185 HE ARG 23 HE ARG 23 -0.273 -3.139 -5.288
186 HH11 ARG 23 1HH1 ARG 23 -2.606 -0.501 -5.498
187 HH12 ARG 23 2HH1 ARG 23 -2.971 -0.813 -7.161
188 HH21 ARG 23 1HH2 ARG 23 -0.772 -3.511 -7.455
189 HH22 ARG 23 2HH2 ARG 23 -1.933 -2.518 -8.271
190 H GLU 24 H GLU 24 -5.407 -0.729 -0.601
191 HA GLU 24 HA GLU 24 -4.904 0.607 1.911
192 HB2 GLU 24 2HB GLU 24 -7.130 0.624 0.734
193 HB3 GLU 24 1HB GLU 24 -7.296 -1.095 1.073
194 HG2 GLU 24 2HG GLU 24 -7.269 -0.586 3.518
195 HG3 GLU 24 1HG GLU 24 -7.161 1.132 3.137
196 H LYS 25 H LYS 25 -5.115 -2.676 0.733
197 HA LYS 25 HA LYS 25 -3.871 -3.749 3.192
198 HB2 LYS 25 2HB LYS 25 -5.985 -5.119 1.459
199 HB3 LYS 25 1HB LYS 25 -5.100 -5.896 2.774
200 HG2 LYS 25 2HG LYS 25 -6.128 -4.375 4.404
201 HG3 LYS 25 1HG LYS 25 -6.971 -3.525 3.105
202 HD2 LYS 25 2HD LYS 25 -7.371 -6.448 3.854
203 HD3 LYS 25 1HD LYS 25 -8.452 -5.122 4.291
204 HE2 LYS 25 2HE LYS 25 -8.942 -4.713 1.921
205 HE3 LYS 25 1HE LYS 25 -7.819 -5.991 1.447
206 HZ1 LYS 25 3HZ LYS 25 -9.216 -7.595 2.566
207 HZ2 LYS 25 1HZ LYS 25 -10.117 -6.739 1.424
208 HZ3 LYS 25 2HZ LYS 25 -10.276 -6.380 3.071
209 H CYS 26 H CYS 26 -2.360 -5.483 2.794
210 HA CYS 26 HA CYS 26 -0.742 -5.239 0.542
211 HB2 CYS 26 2HB CYS 26 -0.909 -7.292 2.734
212 HB3 CYS 26 1HB CYS 26 0.095 -7.643 1.338
213 H PHE 27 H PHE 27 -0.408 -6.432 -1.244
214 HA PHE 27 HA PHE 27 -2.722 -7.129 -2.684
215 HB2 PHE 27 2HB PHE 27 -1.163 -7.464 -4.582
216 HB3 PHE 27 1HB PHE 27 -0.859 -5.972 -3.721
217 HD1 PHE 27 1HD PHE 27 1.135 -5.848 -2.101
218 HD2 PHE 27 2HD PHE 27 0.620 -9.069 -4.877
219 HE1 PHE 27 1HE PHE 27 3.518 -6.420 -1.888
220 HE2 PHE 27 2HE PHE 27 3.003 -9.634 -4.643
221 HZ PHE 27 HZ PHE 27 4.447 -8.313 -3.154
222 H LYS 28 H LYS 28 -0.848 -9.132 -0.675
223 HA LYS 28 HA LYS 28 -2.188 -11.506 -1.763
224 HB2 LYS 28 2HB LYS 28 -0.042 -12.856 -1.473
225 HB3 LYS 28 1HB LYS 28 -0.093 -11.747 -2.830
226 HG2 LYS 28 2HG LYS 28 2.060 -11.437 -2.014
227 HG3 LYS 28 1HG LYS 28 1.193 -10.094 -1.278
228 HD2 LYS 28 2HD LYS 28 1.162 -11.222 0.846
229 HD3 LYS 28 1HD LYS 28 1.696 -12.742 0.133
230 HE2 LYS 28 2HE LYS 28 3.360 -10.210 0.317
231 HE3 LYS 28 1HE LYS 28 3.497 -11.614 1.374
232 HZ1 LYS 28 3HZ LYS 28 4.058 -11.542 -1.537
233 HZ2 LYS 28 1HZ LYS 28 4.045 -12.954 -0.604
234 HZ3 LYS 28 2HZ LYS 28 5.176 -11.745 -0.290
235 H CYS 29 H CYS 29 -0.421 -10.056 0.981
236 HA CYS 29 HA CYS 29 -1.133 -12.156 2.820
237 HB2 CYS 29 2HB CYS 29 0.993 -11.028 2.954
238 HB3 CYS 29 1HB CYS 29 0.212 -9.458 3.081
239 H GLY 30 H GLY 30 -2.393 -9.005 1.903
240 HA2 GLY 30 2HA GLY 30 -4.470 -8.105 2.185
241 HA3 GLY 30 1HA GLY 30 -4.959 -9.581 3.000
242 H VAL 31 H VAL 31 -2.207 -8.048 4.421
243 HA VAL 31 HA VAL 31 -3.602 -7.362 6.810
244 HB VAL 31 HB VAL 31 -1.228 -7.951 6.952
245 HG11 VAL 31 1HG1 VAL 31 -0.666 -5.407 5.397
246 HG12 VAL 31 2HG1 VAL 31 -0.384 -7.060 4.851
247 HG13 VAL 31 3HG1 VAL 31 0.553 -6.405 6.193
248 HG21 VAL 31 3HG2 VAL 31 -1.741 -5.081 7.830
249 HG22 VAL 31 1HG2 VAL 31 -0.459 -6.130 8.459
250 HG23 VAL 31 2HG2 VAL 31 -2.157 -6.536 8.732
251 HA PRO 32 HA PRO 32 -4.944 -3.183 5.568
252 HB2 PRO 32 2HB PRO 32 -5.360 -2.929 8.546
253 HB3 PRO 32 1HB PRO 32 -6.496 -2.611 7.214
254 HG2 PRO 32 2HG PRO 32 -6.827 -4.788 8.664
255 HG3 PRO 32 1HG PRO 32 -6.964 -4.884 6.895
256 HD2 PRO 32 2HD PRO 32 -4.595 -5.623 8.603
257 HD3 PRO 32 1HD PRO 32 -5.386 -6.569 7.317
258 H LYS 33 H LYS 33 -3.825 -1.346 5.403
259 HA LYS 33 HA LYS 33 -1.242 -0.841 6.358
260 HB2 LYS 33 2HB LYS 33 -2.288 0.224 4.346
261 HB3 LYS 33 1HB LYS 33 -3.337 1.160 5.405
262 HG2 LYS 33 2HG LYS 33 -1.201 2.162 6.412
263 HG3 LYS 33 1HG LYS 33 -0.333 1.387 5.085
264 HD2 LYS 33 2HD LYS 33 -0.753 3.676 4.446
265 HD3 LYS 33 1HD LYS 33 -1.812 2.650 3.471
266 HE2 LYS 33 2HE LYS 33 -3.655 3.123 5.146
267 HE3 LYS 33 1HE LYS 33 -2.565 4.278 5.915
268 HZ1 LYS 33 3HZ LYS 33 -3.441 4.425 3.084
269 HZ2 LYS 33 1HZ LYS 33 -2.486 5.555 3.900
270 HZ3 LYS 33 2HZ LYS 33 -4.102 5.329 4.346
271 H SER 34 H SER 34 -4.341 -0.311 7.787
272 HA SER 34 HA SER 34 -3.914 1.571 9.764
273 HB2 SER 34 2HB SER 34 -6.120 0.572 9.202
274 HB3 SER 34 1HB SER 34 -5.613 -0.964 9.911
275 HG SER 34 HG SER 34 -5.580 -0.017 11.912
276 H GLU 35 H GLU 35 -3.030 -1.882 9.720
277 HA GLU 35 HA GLU 35 -1.993 -1.882 12.450
278 HB2 GLU 35 2HB GLU 35 -1.821 -4.064 10.322
279 HB3 GLU 35 1HB GLU 35 -1.449 -4.249 12.033
280 HG2 GLU 35 2HG GLU 35 -3.871 -3.701 12.529
281 HG3 GLU 35 1HG GLU 35 -4.175 -3.765 10.791
282 H ALA 36 H ALA 36 -0.834 -1.079 9.354
283 HA ALA 36 HA ALA 36 1.994 -1.748 9.855
284 HB1 ALA 36 1HB ALA 36 0.620 -0.742 7.333
285 HB2 ALA 36 2HB ALA 36 1.006 -2.424 7.701
286 HB3 ALA 36 3HB ALA 36 2.306 -1.256 7.465
287 H GLU 37 H GLU 37 3.290 0.175 8.375
288 HA GLU 37 HA GLU 37 4.397 2.118 8.564
289 HB2 GLU 37 2HB GLU 37 1.658 3.206 9.314
290 HB3 GLU 37 1HB GLU 37 3.052 4.204 8.929
291 HG2 GLU 37 2HG GLU 37 3.096 3.314 6.647
292 HG3 GLU 37 1HG GLU 37 1.734 2.254 7.016
293 H GLN 38 H GLN 38 4.336 4.269 10.424
294 HA GLN 38 HA GLN 38 4.324 2.969 13.092
295 HB2 GLN 38 2HB GLN 38 6.679 3.348 12.409
296 HB3 GLN 38 1HB GLN 38 6.342 5.061 12.166
297 HG2 GLN 38 2HG GLN 38 5.802 5.310 14.560
298 HG3 GLN 38 1HG GLN 38 6.091 3.590 14.811
299 HE21 GLN 38 1HE2 GLN 38 7.653 4.061 16.367
300 HE22 GLN 38 2HE2 GLN 38 9.222 4.638 15.946
301 H LYS 39 H LYS 39 2.483 3.709 13.868
302 HA LYS 39 HA LYS 39 2.025 6.634 14.039
303 HB2 LYS 39 2HB LYS 39 0.010 4.385 13.591
304 HB3 LYS 39 1HB LYS 39 -0.483 5.970 14.182
305 HG2 LYS 39 2HG LYS 39 0.343 7.034 12.144
306 HG3 LYS 39 1HG LYS 39 0.956 5.488 11.551
307 HD2 LYS 39 2HD LYS 39 -1.285 4.614 11.294
308 HD3 LYS 39 1HD LYS 39 -1.990 6.009 12.119
309 HE2 LYS 39 2HE LYS 39 -2.200 6.022 9.586
310 HE3 LYS 39 1HE LYS 39 -1.466 7.466 10.284
311 HZ1 LYS 39 3HZ LYS 39 0.709 6.624 9.686
312 HZ2 LYS 39 1HZ LYS 39 -0.278 6.685 8.315
313 HZ3 LYS 39 2HZ LYS 39 0.031 5.202 9.067
314 H LEU 40 H LEU 40 0.840 7.295 15.940
315 HA LEU 40 HA LEU 40 1.767 6.033 18.367
316 HB2 LEU 40 2HB LEU 40 0.003 8.481 17.877
317 HB3 LEU 40 1HB LEU 40 0.463 7.928 19.474
318 HG LEU 40 HG LEU 40 2.891 8.328 18.851
319 HD11 LEU 40 1HD1 LEU 40 3.446 9.775 16.971
320 HD12 LEU 40 2HD1 LEU 40 1.765 9.742 16.428
321 HD13 LEU 40 3HD1 LEU 40 2.724 8.261 16.424
322 HD21 LEU 40 3HD2 LEU 40 1.672 9.920 20.240
323 HD22 LEU 40 1HD2 LEU 40 1.078 10.762 18.806
324 HD23 LEU 40 2HD2 LEU 40 2.805 10.760 19.185
325 HA PRO 41 HA PRO 41 -1.968 3.554 19.065
326 HB2 PRO 41 2HB PRO 41 -1.449 3.634 21.998
327 HB3 PRO 41 1HB PRO 41 -1.334 2.259 20.884
328 HG2 PRO 41 2HG PRO 41 0.859 3.355 21.989
329 HG3 PRO 41 1HG PRO 41 0.875 2.695 20.336
330 HD2 PRO 41 2HD PRO 41 0.620 5.583 21.201
331 HD3 PRO 41 1HD PRO 41 1.656 4.873 19.937
332 H LEU 42 H LEU 42 -3.062 5.760 18.464
333 HA LEU 42 HA LEU 42 -4.189 7.312 20.646
334 HB2 LEU 42 2HB LEU 42 -4.677 7.513 17.640
335 HB3 LEU 42 1HB LEU 42 -5.179 8.695 18.840
336 HG LEU 42 HG LEU 42 -2.307 8.017 18.090
337 HD11 LEU 42 1HD1 LEU 42 -3.885 10.543 17.522
338 HD12 LEU 42 2HD1 LEU 42 -3.441 9.297 16.351
339 HD13 LEU 42 3HD1 LEU 42 -2.185 10.251 17.132
340 HD21 LEU 42 3HD2 LEU 42 -2.421 8.586 20.462
341 HD22 LEU 42 1HD2 LEU 42 -3.283 10.084 20.094
342 HD23 LEU 42 2HD2 LEU 42 -1.614 9.861 19.556
343 H GLY 43 H GLY 43 -6.266 7.248 21.366
344 HA2 GLY 43 2HA GLY 43 -8.652 6.791 20.962
345 HA3 GLY 43 1HA GLY 43 -8.173 5.274 20.203
Start of MODEL 8
1 H1 GLY 1 H GLY 1 21.178 1.561 -4.690
2 HA2 GLY 1 1HA GLY 1 21.023 2.231 -1.936
3 HA3 GLY 1 2HA GLY 1 22.296 3.205 -2.659
4 H HIS 2 H HIS 2 20.387 4.631 -1.660
5 HA HIS 2 HA HIS 2 18.967 6.333 -1.984
6 HB2 HIS 2 2HB HIS 2 20.359 6.893 -3.959
7 HB3 HIS 2 1HB HIS 2 19.383 5.833 -4.964
8 HD1 HIS 2 1HD HIS 2 17.269 6.797 -5.943
9 HD2 HIS 2 2HD HIS 2 19.027 9.305 -3.133
10 HE1 HIS 2 1HE HIS 2 16.021 8.962 -6.099
11 HE2 HIS 2 2HE HIS 2 16.995 10.413 -4.290
12 H MET 3 H MET 3 16.685 6.812 -2.401
13 HA MET 3 HA MET 3 15.083 4.374 -2.918
14 HB2 MET 3 2HB MET 3 13.510 5.158 -1.138
15 HB3 MET 3 1HB MET 3 15.094 4.705 -0.544
16 HG2 MET 3 2HG MET 3 15.700 7.026 -0.219
17 HG3 MET 3 1HG MET 3 14.215 7.570 -0.993
18 HE1 MET 3 3HE MET 3 11.771 7.113 0.046
19 HE2 MET 3 1HE MET 3 11.505 6.390 1.632
20 HE3 MET 3 2HE MET 3 12.114 5.403 0.304
21 HA PRO 4 HA PRO 4 12.982 7.304 -5.903
22 HB2 PRO 4 2HB PRO 4 12.241 5.142 -7.523
23 HB3 PRO 4 1HB PRO 4 13.698 6.123 -7.783
24 HG2 PRO 4 2HG PRO 4 13.435 3.475 -6.408
25 HG3 PRO 4 1HG PRO 4 14.678 4.026 -7.556
26 HD2 PRO 4 2HD PRO 4 15.172 3.950 -4.923
27 HD3 PRO 4 1HD PRO 4 15.812 5.276 -5.925
28 H LYS 5 H LYS 5 10.729 7.550 -5.770
29 HA LYS 5 HA LYS 5 8.793 7.666 -4.638
30 HB2 LYS 5 2HB LYS 5 9.139 4.667 -4.169
31 HB3 LYS 5 1HB LYS 5 7.753 5.578 -3.587
32 HG2 LYS 5 2HG LYS 5 7.002 4.546 -5.567
33 HG3 LYS 5 1HG LYS 5 7.311 6.220 -6.028
34 HD2 LYS 5 2HD LYS 5 9.498 5.527 -6.995
35 HD3 LYS 5 1HD LYS 5 9.152 3.853 -6.554
36 HE2 LYS 5 2HE LYS 5 7.160 3.898 -8.054
37 HE3 LYS 5 1HE LYS 5 7.570 5.550 -8.522
38 HZ1 LYS 5 3HZ LYS 5 8.443 4.146 -10.179
39 HZ2 LYS 5 1HZ LYS 5 9.123 3.078 -9.049
40 HZ3 LYS 5 2HZ LYS 5 9.771 4.624 -9.253
41 H ILE 6 H ILE 6 8.797 8.863 -2.824
42 HA ILE 6 HA ILE 6 10.699 8.402 -0.665
43 HB ILE 6 HB ILE 6 9.864 10.564 0.257
44 HG12 ILE 6 2HG1 ILE 6 7.974 10.579 -2.159
45 HG13 ILE 6 1HG1 ILE 6 7.486 10.445 -0.473
46 HG21 ILE 6 1HG2 ILE 6 11.721 10.546 -1.363
47 HG22 ILE 6 2HG2 ILE 6 10.757 12.010 -1.521
48 HG23 ILE 6 3HG2 ILE 6 10.577 10.709 -2.699
49 HD11 ILE 6 3HD1 ILE 6 7.096 12.686 -1.305
50 HD12 ILE 6 1HD1 ILE 6 8.793 12.845 -1.760
51 HD13 ILE 6 2HD1 ILE 6 8.343 12.717 -0.058
52 H ASN 7 H ASN 7 8.613 6.428 -0.917
53 HA ASN 7 HA ASN 7 7.147 5.180 0.128
54 HB2 ASN 7 2HB ASN 7 8.455 6.429 2.553
55 HB3 ASN 7 1HB ASN 7 7.259 5.146 2.667
56 HD21 ASN 7 1HD2 ASN 7 8.192 3.707 0.265
57 HD22 ASN 7 2HD2 ASN 7 9.679 2.965 0.727
58 H GLU 8 H GLU 8 5.677 6.833 -1.010
59 HA GLU 8 HA GLU 8 3.568 7.693 0.831
60 HB2 GLU 8 2HB GLU 8 3.836 8.701 -1.473
61 HB3 GLU 8 1HB GLU 8 3.444 7.135 -2.173
62 HG2 GLU 8 2HG GLU 8 1.480 8.487 -2.283
63 HG3 GLU 8 1HG GLU 8 1.199 7.269 -1.042
64 H ASP 9 H ASP 9 4.558 4.931 -1.087
65 HA ASP 9 HA ASP 9 2.708 3.020 -0.226
66 HB2 ASP 9 2HB ASP 9 4.518 1.420 -0.891
67 HB3 ASP 9 1HB ASP 9 4.167 2.606 -2.126
68 H TRP 10 H TRP 10 3.171 1.278 1.269
69 HA TRP 10 HA TRP 10 4.683 2.049 3.684
70 HB2 TRP 10 2HB TRP 10 2.814 0.863 4.972
71 HB3 TRP 10 1HB TRP 10 2.377 2.398 4.233
72 HD1 TRP 10 HD TRP 10 0.553 2.369 2.281
73 HE1 TRP 10 1HE TRP 10 -1.144 0.602 1.551
74 HE3 TRP 10 3HE TRP 10 2.595 -1.758 4.536
75 HZ2 TRP 10 2HZ TRP 10 -1.566 -2.163 1.823
76 HZ3 TRP 10 3HZ TRP 10 1.493 -3.935 4.216
77 HH2 TRP 10 HH TRP 10 -0.544 -4.133 2.886
78 H LEU 11 H LEU 11 5.128 0.169 5.086
79 HA LEU 11 HA LEU 11 5.916 -2.213 3.490
80 HB2 LEU 11 2HB LEU 11 7.679 -0.462 4.430
81 HB3 LEU 11 1HB LEU 11 7.384 -1.238 5.969
82 HG LEU 11 HG LEU 11 9.438 -2.074 4.885
83 HD11 LEU 11 1HD1 LEU 11 7.331 -4.247 5.014
84 HD12 LEU 11 2HD1 LEU 11 8.278 -3.623 6.366
85 HD13 LEU 11 3HD1 LEU 11 9.082 -4.483 5.058
86 HD21 LEU 11 3HD2 LEU 11 7.674 -3.110 2.636
87 HD22 LEU 11 1HD2 LEU 11 9.408 -3.385 2.819
88 HD23 LEU 11 2HD2 LEU 11 8.803 -1.758 2.527
89 H CYS 12 H CYS 12 4.982 -4.055 4.159
90 HA CYS 12 HA CYS 12 3.018 -4.172 6.191
91 HB2 CYS 12 2HB CYS 12 2.880 -5.606 4.238
92 HB3 CYS 12 1HB CYS 12 4.401 -6.388 4.639
93 H ASN 13 H ASN 13 2.892 -5.384 8.055
94 HA ASN 13 HA ASN 13 5.381 -5.795 9.578
95 HB2 ASN 13 2HB ASN 13 3.816 -5.915 11.560
96 HB3 ASN 13 1HB ASN 13 3.773 -4.378 10.707
97 HD21 ASN 13 1HD2 ASN 13 1.970 -7.261 11.463
98 HD22 ASN 13 2HD2 ASN 13 0.450 -6.698 10.884
99 H LYS 14 H LYS 14 2.750 -7.544 8.077
100 HA LYS 14 HA LYS 14 3.361 -10.060 9.415
101 HB2 LYS 14 2HB LYS 14 1.400 -9.471 7.163
102 HB3 LYS 14 1HB LYS 14 1.588 -11.029 7.961
103 HG2 LYS 14 2HG LYS 14 1.006 -9.766 10.155
104 HG3 LYS 14 1HG LYS 14 0.449 -8.467 9.098
105 HD2 LYS 14 2HD LYS 14 -0.560 -11.337 9.076
106 HD3 LYS 14 1HD LYS 14 -1.406 -9.958 9.771
107 HE2 LYS 14 2HE LYS 14 -1.826 -9.008 7.641
108 HE3 LYS 14 1HE LYS 14 -0.650 -10.047 6.843
109 HZ1 LYS 14 3HZ LYS 14 -2.059 -11.890 7.039
110 HZ2 LYS 14 1HZ LYS 14 -3.068 -10.632 6.544
111 HZ3 LYS 14 2HZ LYS 14 -3.066 -11.131 8.157
112 H CYS 15 H CYS 15 3.067 -9.354 5.825
113 HA CYS 15 HA CYS 15 5.011 -11.482 5.310
114 HB2 CYS 15 2HB CYS 15 4.454 -10.955 2.904
115 HB3 CYS 15 1HB CYS 15 3.068 -11.392 3.901
116 H GLY 16 H GLY 16 4.990 -8.010 5.422
117 HA2 GLY 16 2HA GLY 16 6.790 -6.544 5.523
118 HA3 GLY 16 1HA GLY 16 7.875 -7.867 5.132
119 H VAL 17 H VAL 17 5.101 -7.195 3.100
120 HA VAL 17 HA VAL 17 6.829 -6.803 0.829
121 HB VAL 17 HB VAL 17 4.794 -6.715 -0.546
122 HG11 VAL 17 1HG1 VAL 17 3.996 -9.009 -0.139
123 HG12 VAL 17 2HG1 VAL 17 4.758 -9.001 1.453
124 HG13 VAL 17 3HG1 VAL 17 5.753 -8.899 -0.001
125 HG21 VAL 17 3HG2 VAL 17 3.220 -6.892 2.058
126 HG22 VAL 17 1HG2 VAL 17 2.537 -7.031 0.434
127 HG23 VAL 17 2HG2 VAL 17 3.263 -5.513 0.961
128 H GLN 18 H GLN 18 7.292 -4.999 -0.269
129 HA GLN 18 HA GLN 18 6.295 -2.369 0.541
130 HB2 GLN 18 2HB GLN 18 8.699 -2.677 -0.012
131 HB3 GLN 18 1HB GLN 18 8.282 -3.245 -1.619
132 HG2 GLN 18 2HG GLN 18 7.446 -0.475 -0.759
133 HG3 GLN 18 1HG GLN 18 9.117 -0.765 -1.231
134 HE21 GLN 18 1HE2 GLN 18 7.151 0.961 -2.482
135 HE22 GLN 18 2HE2 GLN 18 6.959 0.411 -4.106
136 H ASN 19 H ASN 19 4.357 -1.746 -0.274
137 HA ASN 19 HA ASN 19 3.174 -3.215 -2.515
138 HB2 ASN 19 2HB ASN 19 1.045 -2.303 -1.809
139 HB3 ASN 19 1HB ASN 19 1.893 -2.845 -0.364
140 HD21 ASN 19 1HD2 ASN 19 -0.238 -0.792 -0.826
141 HD22 ASN 19 2HD2 ASN 19 0.349 0.631 -0.059
142 H PHE 20 H PHE 20 1.692 -1.856 -3.932
143 HA PHE 20 HA PHE 20 3.122 0.327 -5.223
144 HB2 PHE 20 2HB PHE 20 2.109 -1.537 -6.552
145 HB3 PHE 20 1HB PHE 20 0.512 -1.062 -5.979
146 HD1 PHE 20 1HD PHE 20 3.480 0.452 -7.714
147 HD2 PHE 20 2HD PHE 20 -0.787 0.324 -7.408
148 HE1 PHE 20 1HE PHE 20 3.288 1.979 -9.641
149 HE2 PHE 20 2HE PHE 20 -0.962 1.845 -9.344
150 HZ PHE 20 HZ PHE 20 1.073 2.675 -10.453
151 H LYS 21 H LYS 21 2.365 1.104 -2.722
152 HA LYS 21 HA LYS 21 1.344 2.480 -1.318
153 HB2 LYS 21 2HB LYS 21 1.031 4.776 -2.080
154 HB3 LYS 21 1HB LYS 21 2.472 4.076 -2.790
155 HG2 LYS 21 2HG LYS 21 1.323 3.775 -4.923
156 HG3 LYS 21 1HG LYS 21 -0.162 4.389 -4.218
157 HD2 LYS 21 2HD LYS 21 0.931 6.130 -5.564
158 HD3 LYS 21 1HD LYS 21 0.923 6.597 -3.860
159 HE2 LYS 21 2HE LYS 21 3.267 5.893 -3.639
160 HE3 LYS 21 1HE LYS 21 3.278 5.357 -5.323
161 HZ1 LYS 21 3HZ LYS 21 2.713 8.159 -4.522
162 HZ2 LYS 21 1HZ LYS 21 3.039 7.568 -6.073
163 HZ3 LYS 21 2HZ LYS 21 4.255 7.593 -4.906
164 H ARG 22 H ARG 22 -0.931 2.635 -4.140
165 HA ARG 22 HA ARG 22 -3.229 2.798 -2.426
166 HB2 ARG 22 2HB ARG 22 -2.786 2.739 -5.422
167 HB3 ARG 22 1HB ARG 22 -4.401 2.436 -4.794
168 HG2 ARG 22 2HG ARG 22 -2.750 4.934 -4.325
169 HG3 ARG 22 1HG ARG 22 -4.163 4.792 -5.376
170 HD2 ARG 22 2HD ARG 22 -5.486 4.082 -3.301
171 HD3 ARG 22 1HD ARG 22 -4.083 4.582 -2.353
172 HE ARG 22 HE ARG 22 -4.696 6.764 -3.887
173 HH11 ARG 22 1HH1 ARG 22 -6.432 4.821 -1.503
174 HH12 ARG 22 2HH1 ARG 22 -7.441 6.144 -0.992
175 HH21 ARG 22 1HH2 ARG 22 -6.072 8.465 -3.247
176 HH22 ARG 22 2HH2 ARG 22 -7.237 8.207 -1.975
177 H ARG 23 H ARG 23 -1.990 0.622 -1.605
178 HA ARG 23 HA ARG 23 -4.152 -1.338 -2.012
179 HB2 ARG 23 2HB ARG 23 -1.247 -1.822 -1.194
180 HB3 ARG 23 1HB ARG 23 -2.524 -2.964 -0.827
181 HG2 ARG 23 2HG ARG 23 -1.531 -3.834 -2.741
182 HG3 ARG 23 1HG ARG 23 -2.987 -3.046 -3.342
183 HD2 ARG 23 2HD ARG 23 -1.558 -1.053 -3.949
184 HD3 ARG 23 1HD ARG 23 -0.144 -2.011 -3.506
185 HE ARG 23 HE ARG 23 -0.600 -3.495 -5.304
186 HH11 ARG 23 1HH1 ARG 23 -2.596 -0.604 -5.342
187 HH12 ARG 23 2HH1 ARG 23 -3.003 -0.765 -7.015
188 HH21 ARG 23 1HH2 ARG 23 -1.156 -3.699 -7.500
189 HH22 ARG 23 2HH2 ARG 23 -2.188 -2.518 -8.235
190 H GLU 24 H GLU 24 -5.527 -1.065 -0.361
191 HA GLU 24 HA GLU 24 -4.735 0.219 2.126
192 HB2 GLU 24 2HB GLU 24 -7.410 -0.890 1.180
193 HB3 GLU 24 1HB GLU 24 -7.173 -0.101 2.735
194 HG2 GLU 24 2HG GLU 24 -8.148 1.481 1.219
195 HG3 GLU 24 1HG GLU 24 -6.489 1.976 1.548
196 H LYS 25 H LYS 25 -4.683 -2.909 0.929
197 HA LYS 25 HA LYS 25 -3.751 -3.909 3.509
198 HB2 LYS 25 2HB LYS 25 -5.812 -5.332 1.785
199 HB3 LYS 25 1HB LYS 25 -4.801 -6.201 2.936
200 HG2 LYS 25 2HG LYS 25 -5.729 -4.858 4.778
201 HG3 LYS 25 1HG LYS 25 -6.756 -3.989 3.630
202 HD2 LYS 25 2HD LYS 25 -7.898 -6.109 3.049
203 HD3 LYS 25 1HD LYS 25 -6.859 -6.982 4.185
204 HE2 LYS 25 2HE LYS 25 -7.795 -5.779 6.059
205 HE3 LYS 25 1HE LYS 25 -8.716 -4.721 4.983
206 HZ1 LYS 25 3HZ LYS 25 -10.161 -6.392 5.848
207 HZ2 LYS 25 1HZ LYS 25 -9.119 -7.636 5.381
208 HZ3 LYS 25 2HZ LYS 25 -9.920 -6.723 4.207
209 H CYS 26 H CYS 26 -2.331 -5.854 3.221
210 HA CYS 26 HA CYS 26 -0.488 -5.675 1.118
211 HB2 CYS 26 2HB CYS 26 -1.120 -7.879 3.085
212 HB3 CYS 26 1HB CYS 26 0.057 -8.156 1.804
213 H PHE 27 H PHE 27 -0.244 -6.769 -0.840
214 HA PHE 27 HA PHE 27 -2.676 -7.184 -2.242
215 HB2 PHE 27 2HB PHE 27 -1.282 -7.547 -4.227
216 HB3 PHE 27 1HB PHE 27 -0.722 -6.172 -3.304
217 HD1 PHE 27 1HD PHE 27 1.420 -6.318 -1.992
218 HD2 PHE 27 2HD PHE 27 0.187 -9.439 -4.644
219 HE1 PHE 27 1HE PHE 27 3.721 -7.172 -2.068
220 HE2 PHE 27 2HE PHE 27 2.496 -10.294 -4.698
221 HZ PHE 27 HZ PHE 27 4.265 -9.159 -3.412
222 H LYS 28 H LYS 28 -0.962 -9.401 -0.359
223 HA LYS 28 HA LYS 28 -2.578 -11.588 -1.420
224 HB2 LYS 28 2HB LYS 28 -0.593 -13.169 -1.289
225 HB3 LYS 28 1HB LYS 28 -0.583 -12.011 -2.607
226 HG2 LYS 28 2HG LYS 28 1.633 -12.009 -1.886
227 HG3 LYS 28 1HG LYS 28 0.968 -10.573 -1.108
228 HD2 LYS 28 2HD LYS 28 0.827 -11.761 1.010
229 HD3 LYS 28 1HD LYS 28 1.263 -13.287 0.247
230 HE2 LYS 28 2HE LYS 28 3.084 -10.868 0.393
231 HE3 LYS 28 1HE LYS 28 3.121 -12.210 1.534
232 HZ1 LYS 28 3HZ LYS 28 3.534 -13.675 -0.428
233 HZ2 LYS 28 1HZ LYS 28 4.783 -12.589 -0.066
234 HZ3 LYS 28 2HZ LYS 28 3.742 -12.284 -1.354
235 H CYS 29 H CYS 29 -0.594 -10.328 1.270
236 HA CYS 29 HA CYS 29 -1.360 -12.490 3.030
237 HB2 CYS 29 2HB CYS 29 0.908 -11.538 3.019
238 HB3 CYS 29 1HB CYS 29 0.262 -9.968 3.508
239 H GLY 30 H GLY 30 -2.280 -9.155 2.459
240 HA2 GLY 30 2HA GLY 30 -4.090 -7.918 3.110
241 HA3 GLY 30 1HA GLY 30 -4.792 -9.405 3.713
242 H VAL 31 H VAL 31 -2.105 -7.176 4.665
243 HA VAL 31 HA VAL 31 -3.395 -6.953 7.331
244 HB VAL 31 HB VAL 31 -0.929 -7.422 7.397
245 HG11 VAL 31 1HG1 VAL 31 0.729 -5.717 6.804
246 HG12 VAL 31 2HG1 VAL 31 -0.546 -4.680 6.158
247 HG13 VAL 31 3HG1 VAL 31 -0.191 -6.224 5.386
248 HG21 VAL 31 3HG2 VAL 31 -2.048 -6.276 9.266
249 HG22 VAL 31 1HG2 VAL 31 -1.710 -4.709 8.529
250 HG23 VAL 31 2HG2 VAL 31 -0.381 -5.726 9.101
251 HA PRO 32 HA PRO 32 -5.107 -3.058 5.811
252 HB2 PRO 32 2HB PRO 32 -5.232 -2.253 8.720
253 HB3 PRO 32 1HB PRO 32 -6.536 -2.349 7.514
254 HG2 PRO 32 2HG PRO 32 -6.355 -4.164 9.453
255 HG3 PRO 32 1HG PRO 32 -6.832 -4.640 7.808
256 HD2 PRO 32 2HD PRO 32 -4.146 -4.923 9.138
257 HD3 PRO 32 1HD PRO 32 -5.041 -6.095 8.139
258 H LYS 33 H LYS 33 -4.096 -1.186 5.200
259 HA LYS 33 HA LYS 33 -1.478 -0.444 5.721
260 HB2 LYS 33 2HB LYS 33 -2.713 0.441 3.821
261 HB3 LYS 33 1HB LYS 33 -3.900 1.185 4.880
262 HG2 LYS 33 2HG LYS 33 -1.668 2.496 5.748
263 HG3 LYS 33 1HG LYS 33 -1.182 2.159 4.093
264 HD2 LYS 33 2HD LYS 33 -2.251 4.338 4.144
265 HD3 LYS 33 1HD LYS 33 -3.337 3.219 3.305
266 HE2 LYS 33 2HE LYS 33 -4.650 4.539 4.842
267 HE3 LYS 33 1HE LYS 33 -4.573 2.901 5.477
268 HZ1 LYS 33 3HZ LYS 33 -2.745 3.665 6.936
269 HZ2 LYS 33 1HZ LYS 33 -4.205 4.473 7.237
270 HZ3 LYS 33 2HZ LYS 33 -2.972 5.237 6.373
271 H SER 34 H SER 34 -4.454 0.412 7.336
272 HA SER 34 HA SER 34 -3.769 2.369 9.143
273 HB2 SER 34 2HB SER 34 -6.074 1.537 8.773
274 HB3 SER 34 1HB SER 34 -5.654 -0.009 9.509
275 HG SER 34 HG SER 34 -5.489 0.961 11.467
276 H GLU 35 H GLU 35 -3.484 -1.177 9.515
277 HA GLU 35 HA GLU 35 -2.018 -0.960 12.056
278 HB2 GLU 35 2HB GLU 35 -3.542 -3.171 10.672
279 HB3 GLU 35 1HB GLU 35 -2.307 -3.615 11.847
280 HG2 GLU 35 2HG GLU 35 -4.564 -3.558 12.830
281 HG3 GLU 35 1HG GLU 35 -3.465 -2.427 13.608
282 H ALA 36 H ALA 36 -1.232 -1.113 8.829
283 HA ALA 36 HA ALA 36 1.177 -2.722 9.028
284 HB1 ALA 36 1HB ALA 36 0.258 -0.826 6.842
285 HB2 ALA 36 2HB ALA 36 -0.038 -2.564 6.896
286 HB3 ALA 36 3HB ALA 36 1.612 -1.959 6.729
287 H GLU 37 H GLU 37 0.272 0.671 8.868
288 HA GLU 37 HA GLU 37 2.865 1.733 9.484
289 HB2 GLU 37 2HB GLU 37 0.089 2.985 9.696
290 HB3 GLU 37 1HB GLU 37 1.607 3.863 9.868
291 HG2 GLU 37 2HG GLU 37 2.191 3.275 7.530
292 HG3 GLU 37 1HG GLU 37 0.646 2.434 7.379
293 H GLN 38 H GLN 38 3.768 1.932 11.430
294 HA GLN 38 HA GLN 38 2.831 0.709 13.776
295 HB2 GLN 38 2HB GLN 38 5.223 1.063 13.241
296 HB3 GLN 38 1HB GLN 38 5.014 2.801 13.389
297 HG2 GLN 38 2HG GLN 38 4.475 2.503 15.799
298 HG3 GLN 38 1HG GLN 38 4.762 0.773 15.631
299 HE21 GLN 38 1HE2 GLN 38 7.088 1.116 13.840
300 HE22 GLN 38 2HE2 GLN 38 8.373 1.691 14.839
301 H LYS 39 H LYS 39 0.833 1.453 14.340
302 HA LYS 39 HA LYS 39 -0.772 2.628 15.379
303 HB2 LYS 39 2HB LYS 39 0.968 3.297 17.019
304 HB3 LYS 39 1HB LYS 39 1.393 4.680 16.021
305 HG2 LYS 39 2HG LYS 39 -0.789 5.700 16.429
306 HG3 LYS 39 1HG LYS 39 -1.321 4.280 17.336
307 HD2 LYS 39 2HD LYS 39 0.950 6.155 18.125
308 HD3 LYS 39 1HD LYS 39 -0.655 6.117 18.854
309 HE2 LYS 39 2HE LYS 39 -0.232 3.791 19.624
310 HE3 LYS 39 1HE LYS 39 1.388 3.865 18.929
311 HZ1 LYS 39 3HZ LYS 39 1.839 5.758 20.439
312 HZ2 LYS 39 1HZ LYS 39 1.521 4.309 21.255
313 HZ3 LYS 39 2HZ LYS 39 0.332 5.506 21.164
314 H LEU 40 H LEU 40 -2.388 4.071 14.720
315 HA LEU 40 HA LEU 40 -2.219 5.201 12.117
316 HB2 LEU 40 2HB LEU 40 -4.307 5.556 14.311
317 HB3 LEU 40 1HB LEU 40 -4.436 6.353 12.755
318 HG LEU 40 HG LEU 40 -4.430 4.036 11.680
319 HD11 LEU 40 1HD1 LEU 40 -3.486 2.748 13.526
320 HD12 LEU 40 2HD1 LEU 40 -5.051 2.109 13.034
321 HD13 LEU 40 3HD1 LEU 40 -4.917 3.074 14.508
322 HD21 LEU 40 3HD2 LEU 40 -6.483 5.364 11.912
323 HD22 LEU 40 1HD2 LEU 40 -6.756 4.696 13.524
324 HD23 LEU 40 2HD2 LEU 40 -6.820 3.648 12.103
325 HA PRO 41 HA PRO 41 -0.395 9.216 13.065
326 HB2 PRO 41 2HB PRO 41 -1.500 10.692 10.965
327 HB3 PRO 41 1HB PRO 41 -0.084 9.637 10.805
328 HG2 PRO 41 2HG PRO 41 -2.940 9.076 10.109
329 HG3 PRO 41 1HG PRO 41 -1.453 8.653 9.224
330 HD2 PRO 41 2HD PRO 41 -2.763 6.827 10.717
331 HD3 PRO 41 1HD PRO 41 -0.994 6.823 10.587
332 H LEU 42 H LEU 42 -0.982 10.862 14.351
333 HA LEU 42 HA LEU 42 -3.373 10.883 15.748
334 HB2 LEU 42 2HB LEU 42 -2.607 12.876 16.868
335 HB3 LEU 42 1HB LEU 42 -1.237 11.817 16.610
336 HG LEU 42 HG LEU 42 -1.808 14.261 14.874
337 HD11 LEU 42 1HD1 LEU 42 0.102 14.089 17.231
338 HD12 LEU 42 2HD1 LEU 42 -1.416 14.988 17.189
339 HD13 LEU 42 3HD1 LEU 42 -0.086 15.464 16.136
340 HD21 LEU 42 3HD2 LEU 42 -0.380 12.582 13.773
341 HD22 LEU 42 1HD2 LEU 42 0.737 12.622 15.140
342 HD23 LEU 42 2HD2 LEU 42 0.517 14.055 14.133
343 H GLY 43 H GLY 43 -5.332 11.794 15.466
344 HA2 GLY 43 2HA GLY 43 -5.741 14.082 13.659
345 HA3 GLY 43 1HA GLY 43 -6.585 12.582 13.286
Start of MODEL 9
1 H1 GLY 1 H GLY 1 21.174 13.554 -5.911
2 HA2 GLY 1 1HA GLY 1 21.918 12.297 -3.472
3 HA3 GLY 1 2HA GLY 1 21.177 13.842 -3.084
4 H HIS 2 H HIS 2 19.085 13.637 -2.608
5 HA HIS 2 HA HIS 2 17.560 11.305 -3.522
6 HB2 HIS 2 2HB HIS 2 17.011 13.379 -1.353
7 HB3 HIS 2 1HB HIS 2 15.886 12.092 -1.776
8 HD1 HIS 2 1HD HIS 2 16.385 9.736 -0.924
9 HD2 HIS 2 2HD HIS 2 19.356 12.495 0.018
10 HE1 HIS 2 1HE HIS 2 17.891 8.587 0.717
11 HE2 HIS 2 2HE HIS 2 19.789 10.197 1.093
12 H MET 3 H MET 3 15.294 11.574 -4.070
13 HA MET 3 HA MET 3 14.700 13.953 -5.728
14 HB2 MET 3 2HB MET 3 13.720 11.068 -5.909
15 HB3 MET 3 1HB MET 3 13.047 12.376 -6.874
16 HG2 MET 3 2HG MET 3 14.634 11.123 -8.207
17 HG3 MET 3 1HG MET 3 15.281 12.737 -7.899
18 HE1 MET 3 3HE MET 3 17.190 10.535 -9.030
19 HE2 MET 3 1HE MET 3 18.586 10.638 -7.947
20 HE3 MET 3 2HE MET 3 17.801 12.107 -8.516
21 HA PRO 4 HA PRO 4 11.312 15.177 -3.048
22 HB2 PRO 4 2HB PRO 4 9.263 15.651 -4.944
23 HB3 PRO 4 1HB PRO 4 10.525 16.815 -4.490
24 HG2 PRO 4 2HG PRO 4 10.433 14.957 -6.852
25 HG3 PRO 4 1HG PRO 4 10.987 16.647 -6.772
26 HD2 PRO 4 2HD PRO 4 12.768 14.653 -6.835
27 HD3 PRO 4 1HD PRO 4 13.050 16.071 -5.798
28 H LYS 5 H LYS 5 10.391 13.684 -1.778
29 HA LYS 5 HA LYS 5 9.642 11.090 -2.590
30 HB2 LYS 5 2HB LYS 5 8.953 12.531 0.003
31 HB3 LYS 5 1HB LYS 5 8.761 10.803 -0.284
32 HG2 LYS 5 2HG LYS 5 11.251 10.658 -0.635
33 HG3 LYS 5 1HG LYS 5 11.366 12.355 -0.152
34 HD2 LYS 5 2HD LYS 5 10.363 11.768 2.061
35 HD3 LYS 5 1HD LYS 5 10.292 10.071 1.568
36 HE2 LYS 5 2HE LYS 5 12.823 11.729 1.879
37 HE3 LYS 5 1HE LYS 5 12.246 10.514 3.020
38 HZ1 LYS 5 3HZ LYS 5 12.521 8.828 1.291
39 HZ2 LYS 5 1HZ LYS 5 13.978 9.633 1.590
40 HZ3 LYS 5 2HZ LYS 5 13.076 9.999 0.210
41 H ILE 6 H ILE 6 8.061 11.041 -4.112
42 HA ILE 6 HA ILE 6 5.357 12.058 -3.482
43 HB ILE 6 HB ILE 6 4.773 11.409 -5.821
44 HG12 ILE 6 2HG1 ILE 6 7.730 10.642 -6.088
45 HG13 ILE 6 1HG1 ILE 6 6.372 9.524 -6.131
46 HG21 ILE 6 1HG2 ILE 6 6.043 13.181 -6.961
47 HG22 ILE 6 2HG2 ILE 6 7.232 13.190 -5.655
48 HG23 ILE 6 3HG2 ILE 6 5.568 13.692 -5.339
49 HD11 ILE 6 3HD1 ILE 6 7.201 9.915 -8.357
50 HD12 ILE 6 1HD1 ILE 6 6.996 11.657 -8.179
51 HD13 ILE 6 2HD1 ILE 6 5.583 10.598 -8.208
52 H ASN 7 H ASN 7 7.141 9.446 -2.714
53 HA ASN 7 HA ASN 7 5.319 7.294 -3.198
54 HB2 ASN 7 2HB ASN 7 6.804 5.935 -1.844
55 HB3 ASN 7 1HB ASN 7 7.803 6.974 -2.847
56 HD21 ASN 7 1HD2 ASN 7 6.833 6.203 0.404
57 HD22 ASN 7 2HD2 ASN 7 7.997 7.191 1.210
58 H GLU 8 H GLU 8 3.845 6.396 -1.839
59 HA GLU 8 HA GLU 8 3.400 7.477 0.884
60 HB2 GLU 8 2HB GLU 8 1.744 8.478 -0.728
61 HB3 GLU 8 1HB GLU 8 1.231 6.867 -1.193
62 HG2 GLU 8 2HG GLU 8 -0.374 7.976 0.346
63 HG3 GLU 8 1HG GLU 8 0.276 6.470 1.008
64 H ASP 9 H ASP 9 4.556 5.095 -0.689
65 HA ASP 9 HA ASP 9 3.224 2.696 -0.241
66 HB2 ASP 9 2HB ASP 9 6.194 3.295 -0.394
67 HB3 ASP 9 1HB ASP 9 5.494 1.696 -0.585
68 H TRP 10 H TRP 10 2.628 1.959 1.681
69 HA TRP 10 HA TRP 10 4.226 2.343 4.101
70 HB2 TRP 10 2HB TRP 10 2.275 1.196 5.234
71 HB3 TRP 10 1HB TRP 10 1.907 2.728 4.472
72 HD1 TRP 10 HD TRP 10 0.140 2.711 2.430
73 HE1 TRP 10 1HE TRP 10 -1.530 0.924 1.641
74 HE3 TRP 10 3HE TRP 10 2.055 -1.377 4.858
75 HZ2 TRP 10 2HZ TRP 10 -1.966 -1.834 1.965
76 HZ3 TRP 10 3HZ TRP 10 0.957 -3.552 4.545
77 HH2 TRP 10 HH TRP 10 -1.004 -3.786 3.126
78 H LEU 11 H LEU 11 5.193 0.731 5.211
79 HA LEU 11 HA LEU 11 5.790 -1.761 3.773
80 HB2 LEU 11 2HB LEU 11 7.500 -0.010 4.937
81 HB3 LEU 11 1HB LEU 11 7.143 -0.950 6.365
82 HG LEU 11 HG LEU 11 9.255 -1.665 5.313
83 HD11 LEU 11 1HD1 LEU 11 8.919 -4.060 5.168
84 HD12 LEU 11 2HD1 LEU 11 7.171 -3.833 5.027
85 HD13 LEU 11 3HD1 LEU 11 8.009 -3.377 6.514
86 HD21 LEU 11 3HD2 LEU 11 9.355 -2.684 3.109
87 HD22 LEU 11 1HD2 LEU 11 8.737 -1.036 3.002
88 HD23 LEU 11 2HD2 LEU 11 7.627 -2.404 2.871
89 H CYS 12 H CYS 12 4.970 -3.712 4.543
90 HA CYS 12 HA CYS 12 3.005 -3.803 6.622
91 HB2 CYS 12 2HB CYS 12 2.849 -5.244 4.597
92 HB3 CYS 12 1HB CYS 12 4.320 -6.078 5.073
93 H ASN 13 H ASN 13 3.095 -5.356 8.413
94 HA ASN 13 HA ASN 13 5.786 -6.094 9.372
95 HB2 ASN 13 2HB ASN 13 4.794 -5.728 11.774
96 HB3 ASN 13 1HB ASN 13 5.372 -4.338 10.864
97 HD21 ASN 13 1HD2 ASN 13 2.489 -6.067 11.910
98 HD22 ASN 13 2HD2 ASN 13 1.407 -4.734 11.732
99 H LYS 14 H LYS 14 2.682 -7.124 8.518
100 HA LYS 14 HA LYS 14 2.876 -9.668 9.908
101 HB2 LYS 14 2HB LYS 14 1.013 -8.643 7.746
102 HB3 LYS 14 1HB LYS 14 1.036 -10.344 8.205
103 HG2 LYS 14 2HG LYS 14 0.642 -9.449 10.629
104 HG3 LYS 14 1HG LYS 14 0.160 -7.947 9.827
105 HD2 LYS 14 2HD LYS 14 -1.592 -9.149 8.595
106 HD3 LYS 14 1HD LYS 14 -1.062 -10.686 9.282
107 HE2 LYS 14 2HE LYS 14 -3.028 -9.961 10.471
108 HE3 LYS 14 1HE LYS 14 -1.646 -9.802 11.554
109 HZ1 LYS 14 3HZ LYS 14 -3.018 -7.610 10.082
110 HZ2 LYS 14 1HZ LYS 14 -1.591 -7.414 10.972
111 HZ3 LYS 14 2HZ LYS 14 -3.015 -7.876 11.750
112 H CYS 15 H CYS 15 2.789 -8.989 6.285
113 HA CYS 15 HA CYS 15 4.521 -11.298 5.869
114 HB2 CYS 15 2HB CYS 15 4.269 -10.759 3.477
115 HB3 CYS 15 1HB CYS 15 2.712 -10.839 4.291
116 H GLY 16 H GLY 16 4.774 -7.792 5.865
117 HA2 GLY 16 2HA GLY 16 6.647 -6.494 6.267
118 HA3 GLY 16 1HA GLY 16 7.679 -7.902 6.072
119 H VAL 17 H VAL 17 5.298 -7.124 3.629
120 HA VAL 17 HA VAL 17 7.397 -6.601 1.657
121 HB VAL 17 HB VAL 17 5.704 -6.811 -0.063
122 HG11 VAL 17 1HG1 VAL 17 5.187 -8.915 2.062
123 HG12 VAL 17 2HG1 VAL 17 6.492 -8.934 0.872
124 HG13 VAL 17 3HG1 VAL 17 4.813 -9.074 0.341
125 HG21 VAL 17 3HG2 VAL 17 3.592 -6.780 2.133
126 HG22 VAL 17 1HG2 VAL 17 3.273 -7.112 0.425
127 HG23 VAL 17 2HG2 VAL 17 3.864 -5.527 0.924
128 H GLN 18 H GLN 18 6.986 -4.800 0.063
129 HA GLN 18 HA GLN 18 5.867 -2.359 1.307
130 HB2 GLN 18 2HB GLN 18 8.181 -2.186 0.415
131 HB3 GLN 18 1HB GLN 18 7.619 -2.690 -1.170
132 HG2 GLN 18 2HG GLN 18 6.174 -0.633 -1.213
133 HG3 GLN 18 1HG GLN 18 6.945 -0.108 0.281
134 HE21 GLN 18 1HE2 GLN 18 6.937 1.175 -2.358
135 HE22 GLN 18 2HE2 GLN 18 8.595 1.351 -2.801
136 H ASN 19 H ASN 19 3.752 -1.972 0.749
137 HA ASN 19 HA ASN 19 2.537 -3.088 -1.610
138 HB2 ASN 19 2HB ASN 19 0.566 -2.511 -0.604
139 HB3 ASN 19 1HB ASN 19 1.514 -1.986 0.769
140 HD21 ASN 19 1HD2 ASN 19 2.162 0.296 0.790
141 HD22 ASN 19 2HD2 ASN 19 1.086 1.474 0.120
142 H PHE 20 H PHE 20 1.500 -1.645 -3.292
143 HA PHE 20 HA PHE 20 3.541 0.119 -4.406
144 HB2 PHE 20 2HB PHE 20 2.453 -1.750 -5.714
145 HB3 PHE 20 1HB PHE 20 0.924 -0.875 -5.630
146 HD1 PHE 20 2HD PHE 20 4.488 -0.044 -6.480
147 HD2 PHE 20 1HD PHE 20 0.372 0.206 -7.643
148 HE1 PHE 20 2HE PHE 20 5.118 1.214 -8.499
149 HE2 PHE 20 1HE PHE 20 1.018 1.468 -9.655
150 HZ PHE 20 HZ PHE 20 3.388 1.966 -10.078
151 H LYS 21 H LYS 21 2.240 1.251 -2.175
152 HA LYS 21 HA LYS 21 0.942 2.806 -1.194
153 HB2 LYS 21 2HB LYS 21 1.477 5.018 -1.894
154 HB3 LYS 21 1HB LYS 21 2.841 4.022 -2.317
155 HG2 LYS 21 2HG LYS 21 2.304 4.043 -4.631
156 HG3 LYS 21 1HG LYS 21 0.739 4.783 -4.322
157 HD2 LYS 21 2HD LYS 21 1.920 6.842 -3.504
158 HD3 LYS 21 1HD LYS 21 3.464 6.076 -3.895
159 HE2 LYS 21 2HE LYS 21 2.754 5.960 -6.285
160 HE3 LYS 21 1HE LYS 21 1.261 6.800 -5.858
161 HZ1 LYS 21 3HZ LYS 21 4.019 7.871 -5.623
162 HZ2 LYS 21 1HZ LYS 21 2.625 8.667 -5.092
163 HZ3 LYS 21 2HZ LYS 21 2.834 8.342 -6.733
164 H ARG 22 H ARG 22 -0.531 1.283 -3.565
165 HA ARG 22 HA ARG 22 -2.773 3.176 -3.960
166 HB2 ARG 22 2HB ARG 22 -1.920 0.831 -5.716
167 HB3 ARG 22 1HB ARG 22 -3.311 1.867 -6.016
168 HG2 ARG 22 2HG ARG 22 -0.388 2.695 -6.104
169 HG3 ARG 22 1HG ARG 22 -1.467 2.485 -7.485
170 HD2 ARG 22 2HD ARG 22 -1.782 4.557 -5.286
171 HD3 ARG 22 1HD ARG 22 -1.129 4.868 -6.898
172 HE ARG 22 HE ARG 22 -3.576 3.818 -7.423
173 HH11 ARG 22 1HH1 ARG 22 -2.559 6.495 -5.355
174 HH12 ARG 22 2HH1 ARG 22 -4.044 7.359 -5.556
175 HH21 ARG 22 1HH2 ARG 22 -5.491 5.000 -7.696
176 HH22 ARG 22 2HH2 ARG 22 -5.699 6.512 -6.884
177 H ARG 23 H ARG 23 -1.819 0.313 -2.444
178 HA ARG 23 HA ARG 23 -4.524 -0.852 -2.365
179 HB2 ARG 23 2HB ARG 23 -1.872 -2.064 -1.465
180 HB3 ARG 23 1HB ARG 23 -3.432 -2.871 -1.467
181 HG2 ARG 23 2HG ARG 23 -2.491 -3.768 -3.370
182 HG3 ARG 23 1HG ARG 23 -3.374 -2.406 -4.054
183 HD2 ARG 23 2HD ARG 23 -1.279 -1.082 -4.084
184 HD3 ARG 23 1HD ARG 23 -0.406 -2.476 -3.429
185 HE ARG 23 HE ARG 23 -1.669 -2.313 -6.104
186 HH11 ARG 23 1HH1 ARG 23 0.648 -3.896 -3.955
187 HH12 ARG 23 2HH1 ARG 23 1.329 -4.862 -5.216
188 HH21 ARG 23 1HH2 ARG 23 -0.743 -3.586 -7.732
189 HH22 ARG 23 2HH2 ARG 23 0.542 -4.686 -7.355
190 H GLU 24 H GLU 24 -5.647 -0.882 -0.476
191 HA GLU 24 HA GLU 24 -4.655 0.560 1.848
192 HB2 GLU 24 2HB GLU 24 -7.284 -0.962 1.608
193 HB3 GLU 24 1HB GLU 24 -6.880 0.271 2.788
194 HG2 GLU 24 2HG GLU 24 -8.220 1.503 1.367
195 HG3 GLU 24 1HG GLU 24 -6.644 1.821 0.650
196 H LYS 25 H LYS 25 -4.975 -2.711 0.767
197 HA LYS 25 HA LYS 25 -3.877 -3.775 3.306
198 HB2 LYS 25 2HB LYS 25 -5.625 -5.226 1.271
199 HB3 LYS 25 1HB LYS 25 -4.906 -5.953 2.709
200 HG2 LYS 25 2HG LYS 25 -6.261 -4.458 4.139
201 HG3 LYS 25 1HG LYS 25 -7.004 -3.752 2.699
202 HD2 LYS 25 2HD LYS 25 -7.229 -6.635 3.654
203 HD3 LYS 25 1HD LYS 25 -8.502 -5.408 3.673
204 HE2 LYS 25 2HE LYS 25 -7.213 -6.616 1.195
205 HE3 LYS 25 1HE LYS 25 -8.835 -6.950 1.801
206 HZ1 LYS 25 3HZ LYS 25 -8.887 -5.380 -0.015
207 HZ2 LYS 25 1HZ LYS 25 -7.859 -4.325 0.813
208 HZ3 LYS 25 2HZ LYS 25 -9.410 -4.633 1.405
209 H CYS 26 H CYS 26 -2.352 -5.592 2.995
210 HA CYS 26 HA CYS 26 -0.451 -5.216 0.952
211 HB2 CYS 26 2HB CYS 26 -0.915 -7.421 2.965
212 HB3 CYS 26 1HB CYS 26 0.297 -7.615 1.706
213 H PHE 27 H PHE 27 0.068 -6.492 -0.874
214 HA PHE 27 HA PHE 27 -2.193 -6.998 -2.511
215 HB2 PHE 27 2HB PHE 27 -0.656 -7.271 -4.325
216 HB3 PHE 27 1HB PHE 27 0.020 -6.039 -3.279
217 HD1 PHE 27 2HD PHE 27 1.744 -6.997 -1.416
218 HD2 PHE 27 1HD PHE 27 0.826 -8.872 -5.168
219 HE1 PHE 27 2HE PHE 27 3.893 -8.195 -1.366
220 HE2 PHE 27 1HE PHE 27 2.978 -10.048 -5.092
221 HZ PHE 27 HZ PHE 27 4.507 -9.711 -3.200
222 H LYS 28 H LYS 28 -0.469 -9.095 -0.410
223 HA LYS 28 HA LYS 28 -1.928 -11.399 -1.513
224 HB2 LYS 28 2HB LYS 28 0.059 -12.877 -1.065
225 HB3 LYS 28 1HB LYS 28 0.252 -11.759 -2.396
226 HG2 LYS 28 2HG LYS 28 2.327 -11.693 -1.355
227 HG3 LYS 28 1HG LYS 28 1.538 -10.255 -0.730
228 HD2 LYS 28 2HD LYS 28 1.363 -11.146 1.427
229 HD3 LYS 28 1HD LYS 28 1.393 -12.820 0.871
230 HE2 LYS 28 2HE LYS 28 3.778 -10.953 0.806
231 HE3 LYS 28 1HE LYS 28 3.451 -12.106 2.100
232 HZ1 LYS 28 3HZ LYS 28 3.590 -13.912 0.481
233 HZ2 LYS 28 1HZ LYS 28 5.021 -13.010 0.501
234 HZ3 LYS 28 2HZ LYS 28 3.912 -12.807 -0.754
235 H CYS 29 H CYS 29 -0.292 -9.961 1.334
236 HA CYS 29 HA CYS 29 -1.141 -12.013 3.141
237 HB2 CYS 29 2HB CYS 29 0.924 -10.704 3.394
238 HB3 CYS 29 1HB CYS 29 -0.018 -9.230 3.589
239 H GLY 30 H GLY 30 -2.468 -8.950 2.049
240 HA2 GLY 30 2HA GLY 30 -4.579 -8.091 2.199
241 HA3 GLY 30 1HA GLY 30 -5.091 -9.607 2.931
242 H VAL 31 H VAL 31 -2.507 -7.844 4.458
243 HA VAL 31 HA VAL 31 -4.126 -7.320 6.794
244 HB VAL 31 HB VAL 31 -1.872 -8.031 7.257
245 HG11 VAL 31 1HG1 VAL 31 0.132 -6.781 6.614
246 HG12 VAL 31 2HG1 VAL 31 -0.854 -5.632 5.705
247 HG13 VAL 31 3HG1 VAL 31 -0.760 -7.320 5.190
248 HG21 VAL 31 3HG2 VAL 31 -1.044 -6.230 8.734
249 HG22 VAL 31 1HG2 VAL 31 -2.798 -6.400 8.859
250 HG23 VAL 31 2HG2 VAL 31 -2.103 -5.069 7.926
251 HA PRO 32 HA PRO 32 -5.329 -3.148 5.417
252 HB2 PRO 32 2HB PRO 32 -6.258 -2.350 7.951
253 HB3 PRO 32 1HB PRO 32 -7.231 -3.212 6.739
254 HG2 PRO 32 2HG PRO 32 -5.751 -4.326 9.108
255 HG3 PRO 32 1HG PRO 32 -7.369 -4.744 8.496
256 HD2 PRO 32 2HD PRO 32 -5.275 -6.332 7.986
257 HD3 PRO 32 1HD PRO 32 -6.517 -6.055 6.741
258 H LYS 33 H LYS 33 -4.399 -1.180 5.555
259 HA LYS 33 HA LYS 33 -1.745 -0.868 6.290
260 HB2 LYS 33 2HB LYS 33 -2.880 0.526 4.588
261 HB3 LYS 33 1HB LYS 33 -3.844 1.295 5.848
262 HG2 LYS 33 2HG LYS 33 -1.636 2.125 6.860
263 HG3 LYS 33 1HG LYS 33 -0.849 1.543 5.392
264 HD2 LYS 33 2HD LYS 33 -1.253 3.902 5.143
265 HD3 LYS 33 1HD LYS 33 -2.342 3.039 4.056
266 HE2 LYS 33 2HE LYS 33 -4.206 3.357 5.653
267 HE3 LYS 33 1HE LYS 33 -3.112 4.162 6.777
268 HZ1 LYS 33 3HZ LYS 33 -4.373 5.772 5.521
269 HZ2 LYS 33 1HZ LYS 33 -3.805 5.129 4.063
270 HZ3 LYS 33 2HZ LYS 33 -2.732 5.882 5.127
271 H SER 34 H SER 34 -4.675 -0.210 8.109
272 HA SER 34 HA SER 34 -3.808 1.483 10.126
273 HB2 SER 34 2HB SER 34 -6.173 0.864 9.722
274 HB3 SER 34 1HB SER 34 -5.854 -0.774 10.292
275 HG SER 34 HG SER 34 -6.095 -0.078 12.251
276 H GLU 35 H GLU 35 -3.522 -2.039 9.833
277 HA GLU 35 HA GLU 35 -2.241 -2.366 12.449
278 HB2 GLU 35 2HB GLU 35 -2.717 -4.496 10.324
279 HB3 GLU 35 1HB GLU 35 -2.366 -4.744 12.038
280 HG2 GLU 35 2HG GLU 35 -4.552 -3.686 12.589
281 HG3 GLU 35 1HG GLU 35 -4.899 -3.560 10.864
282 H ALA 36 H ALA 36 -1.361 -1.777 9.211
283 HA ALA 36 HA ALA 36 1.334 -2.920 9.364
284 HB1 ALA 36 1HB ALA 36 -0.040 -1.412 7.113
285 HB2 ALA 36 2HB ALA 36 0.079 -3.170 7.262
286 HB3 ALA 36 3HB ALA 36 1.539 -2.199 7.016
287 H GLU 37 H GLU 37 3.029 -1.421 8.294
288 HA GLU 37 HA GLU 37 4.463 0.277 8.360
289 HB2 GLU 37 2HB GLU 37 2.305 1.381 7.307
290 HB3 GLU 37 1HB GLU 37 2.225 2.264 8.824
291 HG2 GLU 37 2HG GLU 37 4.646 2.278 6.988
292 HG3 GLU 37 1HG GLU 37 3.351 3.467 6.901
293 H GLN 38 H GLN 38 4.907 -0.914 10.397
294 HA GLN 38 HA GLN 38 4.368 0.415 12.907
295 HB2 GLN 38 2HB GLN 38 4.637 -2.111 12.570
296 HB3 GLN 38 1HB GLN 38 6.360 -1.825 12.373
297 HG2 GLN 38 2HG GLN 38 4.829 -1.021 14.883
298 HG3 GLN 38 1HG GLN 38 5.562 -2.605 14.692
299 HE21 GLN 38 1HE2 GLN 38 7.871 -2.727 14.578
300 HE22 GLN 38 2HE2 GLN 38 8.866 -1.491 15.257
301 H LYS 39 H LYS 39 5.222 2.410 12.804
302 HA LYS 39 HA LYS 39 8.163 2.735 12.576
303 HB2 LYS 39 2HB LYS 39 6.804 4.164 11.048
304 HB3 LYS 39 1HB LYS 39 5.970 4.855 12.438
305 HG2 LYS 39 2HG LYS 39 8.291 5.635 13.253
306 HG3 LYS 39 1HG LYS 39 8.891 5.176 11.660
307 HD2 LYS 39 2HD LYS 39 6.760 7.261 12.237
308 HD3 LYS 39 1HD LYS 39 8.440 7.593 11.824
309 HE2 LYS 39 2HE LYS 39 7.265 7.944 9.804
310 HE3 LYS 39 1HE LYS 39 7.950 6.335 9.605
311 HZ1 LYS 39 3HZ LYS 39 5.193 6.788 10.579
312 HZ2 LYS 39 1HZ LYS 39 5.860 5.353 9.984
313 HZ3 LYS 39 2HZ LYS 39 5.563 6.646 8.938
314 H LEU 40 H LEU 40 9.274 3.347 14.406
315 HA LEU 40 HA LEU 40 7.943 3.347 16.955
316 HB2 LEU 40 2HB LEU 40 10.837 3.855 16.165
317 HB3 LEU 40 1HB LEU 40 10.291 3.937 17.828
318 HG LEU 40 HG LEU 40 11.330 1.797 17.509
319 HD11 LEU 40 1HD1 LEU 40 8.334 1.379 17.570
320 HD12 LEU 40 2HD1 LEU 40 9.367 1.787 18.944
321 HD13 LEU 40 3HD1 LEU 40 9.570 0.243 18.122
322 HD21 LEU 40 3HD2 LEU 40 11.197 1.616 15.067
323 HD22 LEU 40 1HD2 LEU 40 9.468 1.262 15.172
324 HD23 LEU 40 2HD2 LEU 40 10.650 0.138 15.854
325 HA PRO 41 HA PRO 41 7.226 7.776 17.099
326 HB2 PRO 41 2HB PRO 41 6.411 8.064 19.672
327 HB3 PRO 41 1HB PRO 41 5.454 7.125 18.504
328 HG2 PRO 41 2HG PRO 41 7.313 6.122 20.649
329 HG3 PRO 41 1HG PRO 41 5.725 5.493 20.150
330 HD2 PRO 41 2HD PRO 41 8.161 4.431 19.304
331 HD3 PRO 41 1HD PRO 41 6.622 4.232 18.437
332 H LEU 42 H LEU 42 8.561 9.499 17.252
333 HA LEU 42 HA LEU 42 10.995 9.503 18.778
334 HB2 LEU 42 2HB LEU 42 9.606 11.647 17.116
335 HB3 LEU 42 1HB LEU 42 11.057 11.996 18.035
336 HG LEU 42 HG LEU 42 11.668 11.620 15.719
337 HD11 LEU 42 1HD1 LEU 42 13.257 10.846 17.395
338 HD12 LEU 42 2HD1 LEU 42 13.336 9.876 15.928
339 HD13 LEU 42 3HD1 LEU 42 12.532 9.233 17.364
340 HD21 LEU 42 3HD2 LEU 42 11.266 9.525 14.518
341 HD22 LEU 42 1HD2 LEU 42 9.746 10.275 14.999
342 HD23 LEU 42 2HD2 LEU 42 10.363 8.884 15.896
343 H GLY 43 H GLY 43 10.267 9.114 20.886
344 HA2 GLY 43 2HA GLY 43 8.348 10.882 22.186
345 HA3 GLY 43 1HA GLY 43 9.124 9.460 22.868
Start of MODEL 10
1 H1 GLY 1 H GLY 1 15.152 -2.804 -1.999
2 HA2 GLY 1 1HA GLY 1 17.008 -2.525 0.135
3 HA3 GLY 1 2HA GLY 1 16.515 -0.911 -0.363
4 H HIS 2 H HIS 2 15.940 -3.010 1.963
5 HA HIS 2 HA HIS 2 13.045 -3.142 2.049
6 HB2 HIS 2 2HB HIS 2 14.328 -4.977 3.032
7 HB3 HIS 2 1HB HIS 2 15.202 -3.873 4.086
8 HD1 HIS 2 1HD HIS 2 14.065 -3.137 6.234
9 HD2 HIS 2 2HD HIS 2 11.663 -5.563 3.879
10 HE1 HIS 2 1HE HIS 2 12.167 -3.834 7.716
11 HE2 HIS 2 2HE HIS 2 10.835 -5.456 6.318
12 H MET 3 H MET 3 12.519 -0.913 1.871
13 HA MET 3 HA MET 3 11.894 0.427 4.251
14 HB2 MET 3 2HB MET 3 13.300 2.509 4.001
15 HB3 MET 3 1HB MET 3 14.235 1.086 4.420
16 HG2 MET 3 2HG MET 3 14.968 0.868 2.073
17 HG3 MET 3 1HG MET 3 14.038 2.304 1.653
18 HE1 MET 3 3HE MET 3 17.726 2.419 4.460
19 HE2 MET 3 1HE MET 3 17.091 0.932 3.760
20 HE3 MET 3 2HE MET 3 16.166 1.794 4.992
21 HA PRO 4 HA PRO 4 9.426 2.664 1.085
22 HB2 PRO 4 2HB PRO 4 8.188 4.271 3.185
23 HB3 PRO 4 1HB PRO 4 7.468 2.933 2.274
24 HG2 PRO 4 2HG PRO 4 8.030 2.819 4.970
25 HG3 PRO 4 1HG PRO 4 7.898 1.393 3.917
26 HD2 PRO 4 2HD PRO 4 10.380 2.804 4.880
27 HD3 PRO 4 1HD PRO 4 10.072 1.060 4.704
28 H LYS 5 H LYS 5 10.531 4.148 -0.045
29 HA LYS 5 HA LYS 5 12.432 5.962 1.228
30 HB2 LYS 5 2HB LYS 5 13.197 6.359 -1.141
31 HB3 LYS 5 1HB LYS 5 13.254 4.674 -0.637
32 HG2 LYS 5 2HG LYS 5 11.128 4.253 -1.871
33 HG3 LYS 5 1HG LYS 5 11.128 5.935 -2.414
34 HD2 LYS 5 2HD LYS 5 13.222 5.571 -3.636
35 HD3 LYS 5 1HD LYS 5 13.326 3.916 -3.031
36 HE2 LYS 5 2HE LYS 5 12.511 3.850 -5.308
37 HE3 LYS 5 1HE LYS 5 11.178 3.411 -4.240
38 HZ1 LYS 5 3HZ LYS 5 10.388 4.920 -5.892
39 HZ2 LYS 5 1HZ LYS 5 11.613 6.034 -5.558
40 HZ3 LYS 5 2HZ LYS 5 10.401 5.743 -4.420
41 H ILE 6 H ILE 6 10.203 6.950 2.075
42 HA ILE 6 HA ILE 6 8.718 8.619 2.241
43 HB ILE 6 HB ILE 6 10.611 10.141 0.386
44 HG12 ILE 6 2HG1 ILE 6 11.710 9.370 2.485
45 HG13 ILE 6 1HG1 ILE 6 11.575 11.122 2.441
46 HG21 ILE 6 1HG2 ILE 6 9.588 12.221 1.297
47 HG22 ILE 6 2HG2 ILE 6 8.408 11.241 2.175
48 HG23 ILE 6 3HG2 ILE 6 8.419 11.237 0.412
49 HD11 ILE 6 3HD1 ILE 6 9.806 9.249 4.009
50 HD12 ILE 6 1HD1 ILE 6 9.675 11.011 3.977
51 HD13 ILE 6 2HD1 ILE 6 11.115 10.245 4.640
52 H ASN 7 H ASN 7 7.106 7.406 1.274
53 HA ASN 7 HA ASN 7 5.754 8.644 -0.920
54 HB2 ASN 7 2HB ASN 7 7.469 7.045 -2.041
55 HB3 ASN 7 1HB ASN 7 6.516 5.715 -1.391
56 HD21 ASN 7 1HD2 ASN 7 6.172 5.053 -3.565
57 HD22 ASN 7 2HD2 ASN 7 5.044 5.846 -4.585
58 H GLU 8 H GLU 8 3.599 7.481 -1.313
59 HA GLU 8 HA GLU 8 2.230 6.863 1.081
60 HB2 GLU 8 2HB GLU 8 1.146 7.818 -0.932
61 HB3 GLU 8 1HB GLU 8 1.443 6.330 -1.813
62 HG2 GLU 8 2HG GLU 8 -0.900 6.507 -1.121
63 HG3 GLU 8 1HG GLU 8 -0.115 5.120 -0.366
64 H ASP 9 H ASP 9 4.151 4.846 -1.008
65 HA ASP 9 HA ASP 9 3.403 2.282 -0.293
66 HB2 ASP 9 2HB ASP 9 6.169 3.450 -0.782
67 HB3 ASP 9 1HB ASP 9 5.945 1.743 -0.410
68 H TRP 10 H TRP 10 3.764 0.993 1.352
69 HA TRP 10 HA TRP 10 5.033 1.890 3.834
70 HB2 TRP 10 2HB TRP 10 3.051 0.827 5.068
71 HB3 TRP 10 1HB TRP 10 2.701 2.349 4.249
72 HD1 TRP 10 HD TRP 10 1.080 2.232 2.014
73 HE1 TRP 10 1HE TRP 10 -0.621 0.456 1.294
74 HE3 TRP 10 3HE TRP 10 2.582 -1.689 4.988
75 HZ2 TRP 10 2HZ TRP 10 -1.250 -2.222 1.852
76 HZ3 TRP 10 3HZ TRP 10 1.370 -3.826 4.811
77 HH2 TRP 10 HH TRP 10 -0.509 -4.090 3.267
78 H LEU 11 H LEU 11 5.949 0.193 4.973
79 HA LEU 11 HA LEU 11 6.320 -2.314 3.508
80 HB2 LEU 11 2HB LEU 11 8.175 -0.723 4.735
81 HB3 LEU 11 1HB LEU 11 7.788 -1.752 6.094
82 HG LEU 11 HG LEU 11 9.797 -2.570 4.932
83 HD11 LEU 11 1HD1 LEU 11 7.478 -4.453 4.462
84 HD12 LEU 11 2HD1 LEU 11 8.366 -4.256 5.973
85 HD13 LEU 11 3HD1 LEU 11 9.187 -4.897 4.551
86 HD21 LEU 11 3HD2 LEU 11 8.055 -2.867 2.463
87 HD22 LEU 11 1HD2 LEU 11 9.743 -3.364 2.616
88 HD23 LEU 11 2HD2 LEU 11 9.319 -1.655 2.697
89 H CYS 12 H CYS 12 5.382 -4.192 4.213
90 HA CYS 12 HA CYS 12 3.319 -4.127 6.205
91 HB2 CYS 12 2HB CYS 12 3.017 -5.549 4.239
92 HB3 CYS 12 1HB CYS 12 4.494 -6.433 4.591
93 H ASN 13 H ASN 13 3.166 -5.771 7.845
94 HA ASN 13 HA ASN 13 5.647 -6.205 9.398
95 HB2 ASN 13 2HB ASN 13 4.184 -5.946 11.414
96 HB3 ASN 13 1HB ASN 13 4.252 -4.490 10.429
97 HD21 ASN 13 1HD2 ASN 13 2.265 -4.913 12.302
98 HD22 ASN 13 2HD2 ASN 13 0.740 -5.101 11.516
99 H LYS 14 H LYS 14 2.709 -7.559 8.120
100 HA LYS 14 HA LYS 14 2.888 -10.080 9.555
101 HB2 LYS 14 2HB LYS 14 0.998 -9.102 7.383
102 HB3 LYS 14 1HB LYS 14 0.876 -10.683 8.152
103 HG2 LYS 14 2HG LYS 14 0.682 -8.029 9.625
104 HG3 LYS 14 1HG LYS 14 -0.706 -8.972 9.077
105 HD2 LYS 14 2HD LYS 14 1.388 -9.948 11.072
106 HD3 LYS 14 1HD LYS 14 -0.199 -9.300 11.498
107 HE2 LYS 14 2HE LYS 14 -1.281 -11.143 10.244
108 HE3 LYS 14 1HE LYS 14 0.308 -11.800 9.846
109 HZ1 LYS 14 3HZ LYS 14 0.714 -12.084 12.223
110 HZ2 LYS 14 1HZ LYS 14 -0.639 -12.955 11.711
111 HZ3 LYS 14 2HZ LYS 14 -0.835 -11.512 12.569
112 H CYS 15 H CYS 15 2.852 -9.298 5.944
113 HA CYS 15 HA CYS 15 4.458 -11.729 5.466
114 HB2 CYS 15 2HB CYS 15 4.209 -11.071 3.050
115 HB3 CYS 15 1HB CYS 15 2.675 -11.308 3.880
116 H GLY 16 H GLY 16 4.747 -8.223 5.364
117 HA2 GLY 16 2HA GLY 16 6.656 -6.950 5.775
118 HA3 GLY 16 1HA GLY 16 7.670 -8.369 5.560
119 H VAL 17 H VAL 17 5.195 -7.268 3.275
120 HA VAL 17 HA VAL 17 7.263 -7.022 1.167
121 HB VAL 17 HB VAL 17 5.486 -7.261 -0.476
122 HG11 VAL 17 1HG1 VAL 17 6.385 -9.330 0.478
123 HG12 VAL 17 2HG1 VAL 17 4.687 -9.537 0.040
124 HG13 VAL 17 3HG1 VAL 17 5.144 -9.320 1.735
125 HG21 VAL 17 3HG2 VAL 17 3.699 -5.971 0.590
126 HG22 VAL 17 1HG2 VAL 17 3.499 -7.208 1.833
127 HG23 VAL 17 2HG2 VAL 17 3.100 -7.570 0.149
128 H GLN 18 H GLN 18 6.668 -5.436 -0.608
129 HA GLN 18 HA GLN 18 5.873 -2.777 0.409
130 HB2 GLN 18 2HB GLN 18 8.215 -2.894 -0.326
131 HB3 GLN 18 1HB GLN 18 7.751 -3.616 -1.854
132 HG2 GLN 18 2HG GLN 18 6.696 -0.876 -1.213
133 HG3 GLN 18 1HG GLN 18 8.399 -1.028 -1.634
134 HE21 GLN 18 1HE2 GLN 18 6.382 0.393 -3.125
135 HE22 GLN 18 2HE2 GLN 18 6.278 -0.338 -4.679
136 H ASN 19 H ASN 19 4.088 -1.868 -0.528
137 HA ASN 19 HA ASN 19 2.463 -3.559 -2.314
138 HB2 ASN 19 2HB ASN 19 0.575 -2.377 -1.427
139 HB3 ASN 19 1HB ASN 19 1.635 -2.661 -0.052
140 HD21 ASN 19 1HD2 ASN 19 3.125 -0.825 0.480
141 HD22 ASN 19 2HD2 ASN 19 2.500 0.776 0.318
142 H PHE 20 H PHE 20 0.780 -1.412 -3.340
143 HA PHE 20 HA PHE 20 2.632 -0.204 -5.323
144 HB2 PHE 20 2HB PHE 20 1.091 -2.018 -6.183
145 HB3 PHE 20 1HB PHE 20 -0.281 -1.002 -5.764
146 HD1 PHE 20 2HD PHE 20 2.993 -0.257 -7.477
147 HD2 PHE 20 1HD PHE 20 -1.279 -0.254 -7.764
148 HE1 PHE 20 2HE PHE 20 3.127 0.830 -9.682
149 HE2 PHE 20 1HE PHE 20 -1.130 0.833 -9.964
150 HZ PHE 20 HZ PHE 20 1.069 1.376 -10.925
151 H LYS 21 H LYS 21 2.142 1.076 -2.881
152 HA LYS 21 HA LYS 21 1.438 2.927 -1.761
153 HB2 LYS 21 2HB LYS 21 1.985 5.035 -2.916
154 HB3 LYS 21 1HB LYS 21 3.200 3.811 -3.243
155 HG2 LYS 21 2HG LYS 21 2.489 3.538 -5.494
156 HG3 LYS 21 1HG LYS 21 0.967 4.376 -5.197
157 HD2 LYS 21 2HD LYS 21 2.206 6.501 -4.880
158 HD3 LYS 21 1HD LYS 21 3.724 5.655 -5.182
159 HE2 LYS 21 2HE LYS 21 3.051 6.822 -7.196
160 HE3 LYS 21 1HE LYS 21 2.909 5.086 -7.472
161 HZ1 LYS 21 3HZ LYS 21 0.698 6.969 -6.864
162 HZ2 LYS 21 1HZ LYS 21 0.519 5.294 -7.024
163 HZ3 LYS 21 2HZ LYS 21 1.005 6.220 -8.348
164 H ARG 22 H ARG 22 -0.824 1.524 -2.794
165 HA ARG 22 HA ARG 22 -2.875 3.510 -2.511
166 HB2 ARG 22 2HB ARG 22 -2.442 3.731 -4.954
167 HB3 ARG 22 1HB ARG 22 -2.707 2.007 -5.172
168 HG2 ARG 22 2HG ARG 22 -4.678 3.275 -5.883
169 HG3 ARG 22 1HG ARG 22 -5.073 2.272 -4.486
170 HD2 ARG 22 2HD ARG 22 -4.828 4.275 -3.022
171 HD3 ARG 22 1HD ARG 22 -4.486 5.258 -4.449
172 HE ARG 22 HE ARG 22 -7.062 3.950 -3.812
173 HH11 ARG 22 1HH1 ARG 22 -5.305 6.471 -5.532
174 HH12 ARG 22 2HH1 ARG 22 -6.741 7.248 -6.093
175 HH21 ARG 22 1HH2 ARG 22 -8.927 4.992 -4.575
176 HH22 ARG 22 2HH2 ARG 22 -8.789 6.410 -5.553
177 H ARG 23 H ARG 23 -1.922 0.204 -3.217
178 HA ARG 23 HA ARG 23 -4.034 -1.277 -2.220
179 HB2 ARG 23 2HB ARG 23 -1.050 -1.711 -1.877
180 HB3 ARG 23 1HB ARG 23 -2.266 -2.897 -1.406
181 HG2 ARG 23 2HG ARG 23 -3.036 -3.017 -3.757
182 HG3 ARG 23 1HG ARG 23 -1.775 -1.868 -4.215
183 HD2 ARG 23 2HD ARG 23 -0.058 -3.428 -3.472
184 HD3 ARG 23 1HD ARG 23 -1.303 -4.561 -2.932
185 HE ARG 23 HE ARG 23 -2.010 -4.607 -5.352
186 HH11 ARG 23 1HH1 ARG 23 1.359 -3.993 -4.503
187 HH12 ARG 23 2HH1 ARG 23 1.967 -4.607 -5.999
188 HH21 ARG 23 1HH2 ARG 23 -1.189 -5.466 -7.279
189 HH22 ARG 23 2HH2 ARG 23 0.518 -5.449 -7.577
190 H GLU 24 H GLU 24 -5.138 -0.496 -0.463
191 HA GLU 24 HA GLU 24 -4.014 0.571 1.891
192 HB2 GLU 24 2HB GLU 24 -6.377 0.909 1.381
193 HB3 GLU 24 1HB GLU 24 -6.685 -0.821 1.435
194 HG2 GLU 24 2HG GLU 24 -7.521 0.341 3.448
195 HG3 GLU 24 1HG GLU 24 -6.304 -0.875 3.838
196 H LYS 25 H LYS 25 -5.138 -2.708 1.097
197 HA LYS 25 HA LYS 25 -3.620 -3.833 3.366
198 HB2 LYS 25 2HB LYS 25 -5.545 -5.207 1.456
199 HB3 LYS 25 1HB LYS 25 -4.872 -5.887 2.936
200 HG2 LYS 25 2HG LYS 25 -6.198 -4.476 4.324
201 HG3 LYS 25 1HG LYS 25 -6.634 -3.411 2.983
202 HD2 LYS 25 2HD LYS 25 -7.527 -6.313 3.311
203 HD3 LYS 25 1HD LYS 25 -8.519 -4.887 3.637
204 HE2 LYS 25 2HE LYS 25 -8.408 -4.228 1.278
205 HE3 LYS 25 1HE LYS 25 -7.338 -5.586 0.921
206 HZ1 LYS 25 3HZ LYS 25 -9.113 -7.092 1.522
207 HZ2 LYS 25 1HZ LYS 25 -9.598 -6.060 0.281
208 HZ3 LYS 25 2HZ LYS 25 -10.145 -5.801 1.859
209 H CYS 26 H CYS 26 -2.262 -5.742 2.934
210 HA CYS 26 HA CYS 26 -0.384 -5.442 0.877
211 HB2 CYS 26 2HB CYS 26 -0.984 -7.668 2.828
212 HB3 CYS 26 1HB CYS 26 0.234 -7.895 1.577
213 H PHE 27 H PHE 27 0.185 -7.072 -0.815
214 HA PHE 27 HA PHE 27 -2.136 -7.358 -2.547
215 HB2 PHE 27 2HB PHE 27 -0.605 -7.460 -4.356
216 HB3 PHE 27 1HB PHE 27 0.077 -6.333 -3.212
217 HD1 PHE 27 2HD PHE 27 2.122 -6.935 -1.880
218 HD2 PHE 27 1HD PHE 27 0.616 -9.464 -4.996
219 HE1 PHE 27 2HE PHE 27 4.290 -8.096 -2.014
220 HE2 PHE 27 1HE PHE 27 2.790 -10.598 -5.118
221 HZ PHE 27 HZ PHE 27 4.625 -9.921 -3.624
222 H LYS 28 H LYS 28 -1.156 -9.345 -0.279
223 HA LYS 28 HA LYS 28 -2.024 -11.800 -1.525
224 HB2 LYS 28 2HB LYS 28 0.197 -12.938 -0.629
225 HB3 LYS 28 1HB LYS 28 0.188 -12.174 -2.212
226 HG2 LYS 28 2HG LYS 28 1.538 -10.403 -1.540
227 HG3 LYS 28 1HG LYS 28 1.079 -10.497 0.139
228 HD2 LYS 28 2HD LYS 28 3.422 -11.219 -0.218
229 HD3 LYS 28 1HD LYS 28 2.446 -12.553 0.401
230 HE2 LYS 28 2HE LYS 28 2.252 -13.443 -1.926
231 HE3 LYS 28 1HE LYS 28 3.276 -12.122 -2.493
232 HZ1 LYS 28 3HZ LYS 28 4.095 -14.194 -0.524
233 HZ2 LYS 28 1HZ LYS 28 5.074 -12.958 -1.134
234 HZ3 LYS 28 2HZ LYS 28 4.517 -14.179 -2.160
235 H CYS 29 H CYS 29 -0.355 -10.368 1.302
236 HA CYS 29 HA CYS 29 -1.055 -12.396 3.134
237 HB2 CYS 29 2HB CYS 29 0.913 -10.939 3.327
238 HB3 CYS 29 1HB CYS 29 -0.132 -9.545 3.576
239 H GLY 30 H GLY 30 -2.070 -8.943 3.446
240 HA2 GLY 30 2HA GLY 30 -4.621 -8.742 3.065
241 HA3 GLY 30 1HA GLY 30 -4.716 -9.851 4.420
242 H VAL 31 H VAL 31 -2.208 -8.222 5.525
243 HA VAL 31 HA VAL 31 -3.729 -6.689 7.355
244 HB VAL 31 HB VAL 31 -1.489 -7.595 7.937
245 HG11 VAL 31 1HG1 VAL 31 -0.279 -7.133 5.858
246 HG12 VAL 31 2HG1 VAL 31 0.580 -6.457 7.243
247 HG13 VAL 31 3HG1 VAL 31 -0.349 -5.397 6.179
248 HG21 VAL 31 3HG2 VAL 31 -0.691 -5.668 9.280
249 HG22 VAL 31 1HG2 VAL 31 -2.449 -5.820 9.339
250 HG23 VAL 31 2HG2 VAL 31 -1.706 -4.583 8.325
251 HA PRO 32 HA PRO 32 -4.085 -2.870 4.918
252 HB2 PRO 32 2HB PRO 32 -5.391 -1.328 6.740
253 HB3 PRO 32 1HB PRO 32 -6.206 -2.666 5.908
254 HG2 PRO 32 2HG PRO 32 -4.987 -2.634 8.659
255 HG3 PRO 32 1HG PRO 32 -6.576 -3.255 8.147
256 HD2 PRO 32 2HD PRO 32 -4.431 -4.895 8.493
257 HD3 PRO 32 1HD PRO 32 -5.681 -5.227 7.272
258 H LYS 33 H LYS 33 -3.303 -0.713 5.010
259 HA LYS 33 HA LYS 33 -0.743 -0.270 6.122
260 HB2 LYS 33 2HB LYS 33 -1.543 0.889 4.064
261 HB3 LYS 33 1HB LYS 33 -2.749 1.755 5.015
262 HG2 LYS 33 2HG LYS 33 -0.789 2.745 6.344
263 HG3 LYS 33 1HG LYS 33 0.269 2.061 5.112
264 HD2 LYS 33 2HD LYS 33 -0.134 4.398 4.603
265 HD3 LYS 33 1HD LYS 33 -0.940 3.406 3.384
266 HE2 LYS 33 2HE LYS 33 -3.100 3.738 4.520
267 HE3 LYS 33 1HE LYS 33 -2.298 4.653 5.797
268 HZ1 LYS 33 3HZ LYS 33 -3.401 6.050 4.102
269 HZ2 LYS 33 1HZ LYS 33 -2.315 5.466 2.944
270 HZ3 LYS 33 2HZ LYS 33 -1.746 6.368 4.252
271 H SER 34 H SER 34 -3.982 0.613 7.047
272 HA SER 34 HA SER 34 -3.564 2.426 9.127
273 HB2 SER 34 2HB SER 34 -5.920 1.695 9.792
274 HB3 SER 34 1HB SER 34 -5.740 2.199 8.112
275 HG SER 34 HG SER 34 -5.848 0.132 7.453
276 H GLU 35 H GLU 35 -2.864 -0.944 9.078
277 HA GLU 35 HA GLU 35 -2.464 -0.940 12.018
278 HB2 GLU 35 2HB GLU 35 -4.381 -2.405 11.281
279 HB3 GLU 35 1HB GLU 35 -3.259 -3.343 10.305
280 HG2 GLU 35 2HG GLU 35 -3.825 -4.453 12.446
281 HG3 GLU 35 1HG GLU 35 -2.096 -4.129 12.302
282 H ALA 36 H ALA 36 -1.032 -1.268 8.920
283 HA ALA 36 HA ALA 36 1.280 -2.837 9.660
284 HB1 ALA 36 1HB ALA 36 0.861 -1.028 7.254
285 HB2 ALA 36 2HB ALA 36 0.486 -2.753 7.328
286 HB3 ALA 36 3HB ALA 36 2.161 -2.209 7.458
287 H GLU 37 H GLU 37 0.514 0.593 9.370
288 HA GLU 37 HA GLU 37 3.092 1.639 10.105
289 HB2 GLU 37 2HB GLU 37 0.325 2.924 10.253
290 HB3 GLU 37 1HB GLU 37 1.848 3.787 10.440
291 HG2 GLU 37 2HG GLU 37 2.408 3.350 8.095
292 HG3 GLU 37 1HG GLU 37 0.934 2.397 7.897
293 H GLN 38 H GLN 38 3.648 2.558 12.183
294 HA GLN 38 HA GLN 38 2.481 1.388 14.555
295 HB2 GLN 38 2HB GLN 38 4.541 3.634 14.262
296 HB3 GLN 38 1HB GLN 38 4.110 2.855 15.781
297 HG2 GLN 38 2HG GLN 38 5.449 1.508 13.411
298 HG3 GLN 38 1HG GLN 38 6.241 2.011 14.904
299 HE21 GLN 38 1HE2 GLN 38 5.871 0.814 16.813
300 HE22 GLN 38 2HE2 GLN 38 5.192 -0.774 16.773
301 H LYS 39 H LYS 39 0.423 2.052 14.994
302 HA LYS 39 HA LYS 39 -0.414 4.800 14.462
303 HB2 LYS 39 2HB LYS 39 -2.002 2.383 15.406
304 HB3 LYS 39 1HB LYS 39 -2.704 3.959 15.073
305 HG2 LYS 39 2HG LYS 39 -1.260 2.298 12.979
306 HG3 LYS 39 1HG LYS 39 -2.990 2.202 13.275
307 HD2 LYS 39 2HD LYS 39 -2.804 3.624 11.403
308 HD3 LYS 39 1HD LYS 39 -3.069 4.736 12.744
309 HE2 LYS 39 2HE LYS 39 -0.739 5.378 12.749
310 HE3 LYS 39 1HE LYS 39 -0.325 4.074 11.642
311 HZ1 LYS 39 3HZ LYS 39 -0.407 6.223 10.539
312 HZ2 LYS 39 1HZ LYS 39 -2.035 6.406 10.954
313 HZ3 LYS 39 2HZ LYS 39 -1.563 5.168 9.901
314 H LEU 40 H LEU 40 -1.470 6.088 15.951
315 HA LEU 40 HA LEU 40 -0.040 6.369 18.427
316 HB2 LEU 40 2HB LEU 40 -2.252 8.022 17.118
317 HB3 LEU 40 1HB LEU 40 -1.434 8.489 18.599
318 HG LEU 40 HG LEU 40 0.749 8.556 17.276
319 HD11 LEU 40 1HD1 LEU 40 0.662 8.796 14.830
320 HD12 LEU 40 2HD1 LEU 40 -1.048 8.349 14.850
321 HD13 LEU 40 3HD1 LEU 40 0.178 7.187 15.361
322 HD21 LEU 40 3HD2 LEU 40 0.344 10.766 16.332
323 HD22 LEU 40 1HD2 LEU 40 -0.471 10.590 17.883
324 HD23 LEU 40 2HD2 LEU 40 -1.401 10.494 16.385
325 HA PRO 41 HA PRO 41 -2.934 4.727 21.578
326 HB2 PRO 41 2HB PRO 41 -3.125 7.620 22.498
327 HB3 PRO 41 1HB PRO 41 -2.920 6.144 23.470
328 HG2 PRO 41 2HG PRO 41 -0.825 7.676 22.986
329 HG3 PRO 41 1HG PRO 41 -0.664 5.906 22.894
330 HD2 PRO 41 2HD PRO 41 -0.790 7.904 20.660
331 HD3 PRO 41 1HD PRO 41 0.099 6.368 20.756
332 H LEU 42 H LEU 42 -4.977 4.156 21.142
333 HA LEU 42 HA LEU 42 -7.139 4.079 20.514
334 HB2 LEU 42 2HB LEU 42 -7.150 7.076 21.073
335 HB3 LEU 42 1HB LEU 42 -8.589 6.089 20.850
336 HG LEU 42 HG LEU 42 -6.597 5.819 23.145
337 HD11 LEU 42 1HD1 LEU 42 -7.909 7.867 23.336
338 HD12 LEU 42 2HD1 LEU 42 -8.365 6.707 24.580
339 HD13 LEU 42 3HD1 LEU 42 -9.411 6.947 23.176
340 HD21 LEU 42 3HD2 LEU 42 -8.215 4.240 24.122
341 HD22 LEU 42 1HD2 LEU 42 -7.571 3.653 22.592
342 HD23 LEU 42 2HD2 LEU 42 -9.201 4.332 22.660
343 H GLY 43 H GLY 43 -8.782 5.798 18.973
344 HA2 GLY 43 2HA GLY 43 -7.697 7.098 16.786
345 HA3 GLY 43 1HA GLY 43 -7.755 5.398 16.328
Start of MODEL 11
1 H1 GLY 1 H GLY 1 6.045 -8.261 -7.797
2 HA2 GLY 1 1HA GLY 1 3.706 -6.670 -7.644
3 HA3 GLY 1 2HA GLY 1 5.010 -5.781 -6.864
4 H HIS 2 H HIS 2 3.423 -5.986 -9.672
5 HA HIS 2 HA HIS 2 5.393 -6.302 -11.694
6 HB2 HIS 2 2HB HIS 2 2.634 -5.009 -11.734
7 HB3 HIS 2 1HB HIS 2 3.653 -5.044 -13.166
8 HD1 HIS 2 1HD HIS 2 3.376 -7.025 -14.625
9 HD2 HIS 2 2HD HIS 2 2.076 -7.760 -10.750
10 HE1 HIS 2 1HE HIS 2 2.365 -9.324 -14.674
11 HE2 HIS 2 2HE HIS 2 1.398 -9.631 -12.377
12 H MET 3 H MET 3 4.059 -3.422 -10.099
13 HA MET 3 HA MET 3 6.249 -1.722 -11.165
14 HB2 MET 3 2HB MET 3 3.326 -0.879 -10.772
15 HB3 MET 3 1HB MET 3 4.641 0.178 -11.287
16 HG2 MET 3 2HG MET 3 4.894 -1.065 -13.353
17 HG3 MET 3 1HG MET 3 3.680 -2.243 -12.846
18 HE1 MET 3 3HE MET 3 2.383 -1.874 -15.179
19 HE2 MET 3 1HE MET 3 3.597 -0.691 -15.677
20 HE3 MET 3 2HE MET 3 1.882 -0.286 -15.759
21 HA PRO 4 HA PRO 4 6.404 -1.524 -6.481
22 HB2 PRO 4 2HB PRO 4 9.346 -1.353 -6.957
23 HB3 PRO 4 1HB PRO 4 8.452 -2.507 -5.950
24 HG2 PRO 4 2HG PRO 4 9.630 -3.289 -8.226
25 HG3 PRO 4 1HG PRO 4 8.069 -3.967 -7.705
26 HD2 PRO 4 2HD PRO 4 8.568 -1.785 -9.746
27 HD3 PRO 4 1HD PRO 4 7.510 -3.212 -9.879
28 H LYS 5 H LYS 5 5.949 0.520 -5.752
29 HA LYS 5 HA LYS 5 7.525 2.808 -6.779
30 HB2 LYS 5 2HB LYS 5 4.490 2.728 -6.556
31 HB3 LYS 5 1HB LYS 5 5.428 4.200 -6.828
32 HG2 LYS 5 2HG LYS 5 6.385 3.046 -8.893
33 HG3 LYS 5 1HG LYS 5 5.154 1.798 -8.665
34 HD2 LYS 5 2HD LYS 5 3.379 3.465 -8.989
35 HD3 LYS 5 1HD LYS 5 4.571 4.768 -9.089
36 HE2 LYS 5 2HE LYS 5 5.526 3.671 -11.125
37 HE3 LYS 5 1HE LYS 5 4.252 2.454 -11.034
38 HZ1 LYS 5 3HZ LYS 5 3.752 4.192 -12.623
39 HZ2 LYS 5 1HZ LYS 5 3.820 5.363 -11.407
40 HZ3 LYS 5 2HZ LYS 5 2.622 4.170 -11.370
41 H ILE 6 H ILE 6 8.727 2.921 -5.003
42 HA ILE 6 HA ILE 6 7.681 3.256 -2.338
43 HB ILE 6 HB ILE 6 10.492 3.832 -3.424
44 HG12 ILE 6 2HG1 ILE 6 11.101 1.733 -2.033
45 HG13 ILE 6 1HG1 ILE 6 9.375 1.406 -1.926
46 HG21 ILE 6 1HG2 ILE 6 11.227 3.923 -1.053
47 HG22 ILE 6 2HG2 ILE 6 9.546 3.769 -0.527
48 HG23 ILE 6 3HG2 ILE 6 10.067 5.194 -1.431
49 HD11 ILE 6 3HD1 ILE 6 11.024 1.511 -4.451
50 HD12 ILE 6 1HD1 ILE 6 9.288 1.190 -4.364
51 HD13 ILE 6 2HD1 ILE 6 10.429 0.067 -3.629
52 H ASN 7 H ASN 7 6.543 5.033 -1.867
53 HA ASN 7 HA ASN 7 7.574 7.692 -2.096
54 HB2 ASN 7 2HB ASN 7 6.749 7.422 -4.449
55 HB3 ASN 7 1HB ASN 7 5.138 7.056 -3.842
56 HD21 ASN 7 1HD2 ASN 7 7.315 9.609 -2.632
57 HD22 ASN 7 2HD2 ASN 7 6.305 10.923 -3.109
58 H GLU 8 H GLU 8 4.342 6.139 -2.032
59 HA GLU 8 HA GLU 8 3.851 7.276 0.672
60 HB2 GLU 8 2HB GLU 8 2.614 8.497 -1.196
61 HB3 GLU 8 1HB GLU 8 1.760 7.002 -1.541
62 HG2 GLU 8 2HG GLU 8 0.347 8.483 -0.208
63 HG3 GLU 8 1HG GLU 8 0.745 7.035 0.707
64 H ASP 9 H ASP 9 4.653 4.583 -0.668
65 HA ASP 9 HA ASP 9 2.747 2.628 -0.019
66 HB2 ASP 9 2HB ASP 9 4.566 1.080 -0.375
67 HB3 ASP 9 1HB ASP 9 4.742 2.363 -1.547
68 H TRP 10 H TRP 10 3.558 0.825 1.564
69 HA TRP 10 HA TRP 10 4.533 1.801 4.121
70 HB2 TRP 10 2HB TRP 10 2.468 0.785 5.290
71 HB3 TRP 10 1HB TRP 10 2.245 2.341 4.503
72 HD1 TRP 10 HD TRP 10 0.722 2.403 2.250
73 HE1 TRP 10 1HE TRP 10 -1.050 0.782 1.363
74 HE3 TRP 10 3HE TRP 10 1.850 -1.702 5.089
75 HZ2 TRP 10 2HZ TRP 10 -1.877 -1.878 1.794
76 HZ3 TRP 10 3HZ TRP 10 0.521 -3.746 4.779
77 HH2 TRP 10 HH TRP 10 -1.300 -3.841 3.160
78 H LEU 11 H LEU 11 5.103 0.104 5.519
79 HA LEU 11 HA LEU 11 5.896 -2.320 4.064
80 HB2 LEU 11 2HB LEU 11 7.470 -0.547 5.430
81 HB3 LEU 11 1HB LEU 11 7.078 -1.611 6.762
82 HG LEU 11 HG LEU 11 9.262 -2.154 5.686
83 HD11 LEU 11 1HD1 LEU 11 8.083 -3.945 6.844
84 HD12 LEU 11 2HD1 LEU 11 8.987 -4.557 5.460
85 HD13 LEU 11 3HD1 LEU 11 7.235 -4.367 5.350
86 HD21 LEU 11 3HD2 LEU 11 7.622 -2.839 3.222
87 HD22 LEU 11 1HD2 LEU 11 9.357 -3.099 3.425
88 HD23 LEU 11 2HD2 LEU 11 8.713 -1.460 3.387
89 H CYS 12 H CYS 12 4.851 -4.150 4.500
90 HA CYS 12 HA CYS 12 2.713 -4.398 6.305
91 HB2 CYS 12 2HB CYS 12 2.731 -5.839 4.366
92 HB3 CYS 12 1HB CYS 12 4.292 -6.515 4.799
93 H ASN 13 H ASN 13 2.487 -5.791 8.119
94 HA ASN 13 HA ASN 13 4.802 -5.916 9.911
95 HB2 ASN 13 2HB ASN 13 3.035 -6.420 11.664
96 HB3 ASN 13 1HB ASN 13 2.883 -4.862 10.865
97 HD21 ASN 13 1HD2 ASN 13 0.712 -4.752 11.537
98 HD22 ASN 13 2HD2 ASN 13 -0.539 -5.651 10.755
99 H LYS 14 H LYS 14 2.625 -8.016 8.164
100 HA LYS 14 HA LYS 14 3.595 -10.441 9.487
101 HB2 LYS 14 2HB LYS 14 1.297 -9.949 7.575
102 HB3 LYS 14 1HB LYS 14 1.813 -11.573 8.027
103 HG2 LYS 14 2HG LYS 14 1.385 -11.047 10.405
104 HG3 LYS 14 1HG LYS 14 0.837 -9.432 9.961
105 HD2 LYS 14 2HD LYS 14 -0.494 -12.003 9.001
106 HD3 LYS 14 1HD LYS 14 -0.983 -11.144 10.462
107 HE2 LYS 14 2HE LYS 14 -2.503 -10.486 8.717
108 HE3 LYS 14 1HE LYS 14 -1.447 -9.111 9.011
109 HZ1 LYS 14 3HZ LYS 14 -1.867 -9.583 6.644
110 HZ2 LYS 14 1HZ LYS 14 -1.066 -11.062 6.813
111 HZ3 LYS 14 2HZ LYS 14 -0.223 -9.614 7.041
112 H CYS 15 H CYS 15 3.053 -9.611 5.913
113 HA CYS 15 HA CYS 15 5.039 -11.571 5.153
114 HB2 CYS 15 2HB CYS 15 4.656 -10.757 2.866
115 HB3 CYS 15 1HB CYS 15 3.132 -11.051 3.693
116 H GLY 16 H GLY 16 4.932 -8.088 5.553
117 HA2 GLY 16 2HA GLY 16 6.567 -6.523 5.885
118 HA3 GLY 16 1HA GLY 16 7.764 -7.812 5.922
119 H VAL 17 H VAL 17 5.518 -6.360 3.529
120 HA VAL 17 HA VAL 17 7.755 -6.223 1.567
121 HB VAL 17 HB VAL 17 6.256 -6.725 -0.274
122 HG11 VAL 17 1HG1 VAL 17 5.887 -8.767 1.944
123 HG12 VAL 17 2HG1 VAL 17 7.279 -8.636 0.866
124 HG13 VAL 17 3HG1 VAL 17 5.699 -9.074 0.214
125 HG21 VAL 17 3HG2 VAL 17 3.860 -7.343 0.064
126 HG22 VAL 17 1HG2 VAL 17 4.178 -5.668 0.517
127 HG23 VAL 17 2HG2 VAL 17 3.991 -6.899 1.767
128 H GLN 18 H GLN 18 7.566 -4.594 -0.060
129 HA GLN 18 HA GLN 18 6.162 -2.135 0.664
130 HB2 GLN 18 2HB GLN 18 8.505 -1.905 0.059
131 HB3 GLN 18 1HB GLN 18 8.294 -2.856 -1.399
132 HG2 GLN 18 2HG GLN 18 6.823 -0.236 -1.118
133 HG3 GLN 18 1HG GLN 18 8.536 -0.231 -1.534
134 HE21 GLN 18 1HE2 GLN 18 8.303 -2.731 -3.131
135 HE22 GLN 18 2HE2 GLN 18 7.513 -2.274 -4.588
136 H ASN 19 H ASN 19 4.217 -1.741 -0.218
137 HA ASN 19 HA ASN 19 3.212 -3.409 -2.440
138 HB2 ASN 19 2HB ASN 19 0.978 -2.778 -1.701
139 HB3 ASN 19 1HB ASN 19 1.900 -3.337 -0.305
140 HD21 ASN 19 1HD2 ASN 19 2.815 -1.693 1.080
141 HD22 ASN 19 2HD2 ASN 19 1.995 -0.190 1.262
142 H PHE 20 H PHE 20 1.393 -2.056 -3.687
143 HA PHE 20 HA PHE 20 2.806 0.005 -5.143
144 HB2 PHE 20 2HB PHE 20 1.583 -1.802 -6.320
145 HB3 PHE 20 1HB PHE 20 0.066 -1.279 -5.607
146 HD1 PHE 20 1HD PHE 20 2.884 0.128 -7.660
147 HD2 PHE 20 2HD PHE 20 -1.331 0.106 -6.936
148 HE1 PHE 20 1HE PHE 20 2.531 1.632 -9.574
149 HE2 PHE 20 2HE PHE 20 -1.666 1.600 -8.849
150 HZ PHE 20 HZ PHE 20 0.260 2.364 -10.171
151 H LYS 21 H LYS 21 2.303 0.921 -2.580
152 HA LYS 21 HA LYS 21 1.536 2.468 -1.206
153 HB2 LYS 21 2HB LYS 21 1.370 4.732 -2.044
154 HB3 LYS 21 1HB LYS 21 2.683 3.885 -2.824
155 HG2 LYS 21 2HG LYS 21 1.697 3.944 -4.925
156 HG3 LYS 21 1HG LYS 21 0.065 4.005 -4.288
157 HD2 LYS 21 2HD LYS 21 0.577 6.094 -5.361
158 HD3 LYS 21 1HD LYS 21 0.422 6.358 -3.623
159 HE2 LYS 21 2HE LYS 21 2.878 6.434 -3.409
160 HE3 LYS 21 1HE LYS 21 3.043 6.105 -5.140
161 HZ1 LYS 21 3HZ LYS 21 1.864 8.162 -5.601
162 HZ2 LYS 21 1HZ LYS 21 3.249 8.458 -4.675
163 HZ3 LYS 21 2HZ LYS 21 1.723 8.479 -3.949
164 H ARG 22 H ARG 22 -0.884 2.701 -3.849
165 HA ARG 22 HA ARG 22 -2.962 3.710 -2.212
166 HB2 ARG 22 2HB ARG 22 -2.832 2.751 -5.076
167 HB3 ARG 22 1HB ARG 22 -4.336 3.305 -4.363
168 HG2 ARG 22 2HG ARG 22 -1.813 4.915 -4.854
169 HG3 ARG 22 1HG ARG 22 -3.394 5.123 -5.621
170 HD2 ARG 22 2HD ARG 22 -2.658 5.688 -2.723
171 HD3 ARG 22 1HD ARG 22 -3.082 6.876 -3.955
172 HE ARG 22 HE ARG 22 -5.351 5.784 -3.962
173 HH11 ARG 22 1HH1 ARG 22 -3.341 5.668 -1.062
174 HH12 ARG 22 2HH1 ARG 22 -4.696 5.501 0.005
175 HH21 ARG 22 1HH2 ARG 22 -7.093 5.479 -2.545
176 HH22 ARG 22 2HH2 ARG 22 -6.825 5.394 -0.834
177 H ARG 23 H ARG 23 -1.791 0.626 -2.340
178 HA ARG 23 HA ARG 23 -4.252 -0.805 -2.033
179 HB2 ARG 23 2HB ARG 23 -1.349 -1.418 -1.421
180 HB3 ARG 23 1HB ARG 23 -2.602 -2.453 -0.758
181 HG2 ARG 23 2HG ARG 23 -1.764 -3.425 -2.819
182 HG3 ARG 23 1HG ARG 23 -3.442 -2.921 -3.008
183 HD2 ARG 23 2HD ARG 23 -2.588 -0.797 -4.094
184 HD3 ARG 23 1HD ARG 23 -0.986 -1.543 -4.101
185 HE ARG 23 HE ARG 23 -2.130 -3.404 -5.425
186 HH11 ARG 23 1HH1 ARG 23 -3.217 -0.061 -5.624
187 HH12 ARG 23 2HH1 ARG 23 -3.840 -0.238 -7.224
188 HH21 ARG 23 1HH2 ARG 23 -2.928 -3.606 -7.515
189 HH22 ARG 23 2HH2 ARG 23 -3.678 -2.257 -8.305
190 H GLU 24 H GLU 24 -5.627 -0.436 -0.404
191 HA GLU 24 HA GLU 24 -5.047 0.652 2.153
192 HB2 GLU 24 2HB GLU 24 -7.326 0.653 1.292
193 HB3 GLU 24 1HB GLU 24 -7.333 -1.105 1.176
194 HG2 GLU 24 2HG GLU 24 -7.136 -1.213 3.678
195 HG3 GLU 24 1HG GLU 24 -7.254 0.550 3.723
196 H LYS 25 H LYS 25 -5.365 -2.634 0.905
197 HA LYS 25 HA LYS 25 -3.984 -3.766 3.257
198 HB2 LYS 25 2HB LYS 25 -6.113 -5.066 1.509
199 HB3 LYS 25 1HB LYS 25 -5.266 -5.859 2.837
200 HG2 LYS 25 2HG LYS 25 -6.335 -4.424 4.461
201 HG3 LYS 25 1HG LYS 25 -7.043 -3.415 3.197
202 HD2 LYS 25 2HD LYS 25 -8.701 -4.971 4.186
203 HD3 LYS 25 1HD LYS 25 -8.467 -5.246 2.457
204 HE2 LYS 25 2HE LYS 25 -6.949 -7.175 3.027
205 HE3 LYS 25 1HE LYS 25 -7.333 -6.924 4.732
206 HZ1 LYS 25 3HZ LYS 25 -9.319 -7.518 2.616
207 HZ2 LYS 25 1HZ LYS 25 -9.626 -7.404 4.274
208 HZ3 LYS 25 2HZ LYS 25 -8.676 -8.669 3.674
209 H CYS 26 H CYS 26 -2.462 -5.385 2.844
210 HA CYS 26 HA CYS 26 -0.834 -5.168 0.604
211 HB2 CYS 26 2HB CYS 26 -1.015 -7.211 2.822
212 HB3 CYS 26 1HB CYS 26 0.031 -7.529 1.449
213 H PHE 27 H PHE 27 -0.522 -6.336 -1.190
214 HA PHE 27 HA PHE 27 -2.835 -7.250 -2.550
215 HB2 PHE 27 2HB PHE 27 -1.275 -7.524 -4.513
216 HB3 PHE 27 1HB PHE 27 -1.203 -5.941 -3.763
217 HD1 PHE 27 1HD PHE 27 0.812 -5.249 -2.448
218 HD2 PHE 27 2HD PHE 27 0.686 -9.015 -4.500
219 HE1 PHE 27 1HE PHE 27 3.252 -5.450 -2.250
220 HE2 PHE 27 2HE PHE 27 3.126 -9.196 -4.282
221 HZ PHE 27 HZ PHE 27 4.411 -7.423 -3.160
222 H LYS 28 H LYS 28 -1.042 -9.054 -0.411
223 HA LYS 28 HA LYS 28 -2.214 -11.500 -1.412
224 HB2 LYS 28 2HB LYS 28 0.070 -12.752 -1.209
225 HB3 LYS 28 1HB LYS 28 -0.240 -11.812 -2.652
226 HG2 LYS 28 2HG LYS 28 2.020 -11.403 -2.067
227 HG3 LYS 28 1HG LYS 28 1.131 -9.936 -1.677
228 HD2 LYS 28 2HD LYS 28 1.190 -10.555 0.703
229 HD3 LYS 28 1HD LYS 28 2.018 -12.065 0.308
230 HE2 LYS 28 2HE LYS 28 3.110 -9.282 -0.208
231 HE3 LYS 28 1HE LYS 28 3.555 -10.316 1.140
232 HZ1 LYS 28 3HZ LYS 28 4.427 -11.941 -0.400
233 HZ2 LYS 28 1HZ LYS 28 5.175 -10.440 -0.632
234 HZ3 LYS 28 2HZ LYS 28 4.001 -10.972 -1.716
235 H CYS 29 H CYS 29 -0.437 -9.814 1.140
236 HA CYS 29 HA CYS 29 -0.806 -11.956 3.065
237 HB2 CYS 29 2HB CYS 29 1.273 -10.685 2.843
238 HB3 CYS 29 1HB CYS 29 0.418 -9.191 3.228
239 H GLY 30 H GLY 30 -2.392 -9.017 2.144
240 HA2 GLY 30 2HA GLY 30 -4.468 -8.248 2.595
241 HA3 GLY 30 1HA GLY 30 -4.782 -9.771 3.406
242 H VAL 31 H VAL 31 -2.231 -7.666 4.575
243 HA VAL 31 HA VAL 31 -3.816 -6.997 6.951
244 HB VAL 31 HB VAL 31 -1.500 -7.740 7.366
245 HG11 VAL 31 1HG1 VAL 31 -0.403 -7.026 5.297
246 HG12 VAL 31 2HG1 VAL 31 0.465 -6.401 6.702
247 HG13 VAL 31 3HG1 VAL 31 -0.581 -5.329 5.766
248 HG21 VAL 31 3HG2 VAL 31 -1.861 -4.791 8.020
249 HG22 VAL 31 1HG2 VAL 31 -0.744 -5.894 8.831
250 HG23 VAL 31 2HG2 VAL 31 -2.484 -6.147 8.962
251 HA PRO 32 HA PRO 32 -4.664 -2.881 5.195
252 HB2 PRO 32 2HB PRO 32 -5.654 -1.688 7.495
253 HB3 PRO 32 1HB PRO 32 -6.627 -2.762 6.456
254 HG2 PRO 32 2HG PRO 32 -5.162 -3.434 9.007
255 HG3 PRO 32 1HG PRO 32 -6.807 -3.894 8.496
256 HD2 PRO 32 2HD PRO 32 -4.739 -5.618 8.252
257 HD3 PRO 32 1HD PRO 32 -6.044 -5.572 7.048
258 H LYS 33 H LYS 33 -3.677 -0.917 5.277
259 HA LYS 33 HA LYS 33 -1.047 -0.546 6.019
260 HB2 LYS 33 2HB LYS 33 -2.181 0.787 4.317
261 HB3 LYS 33 1HB LYS 33 -3.275 1.465 5.521
262 HG2 LYS 33 2HG LYS 33 -0.968 2.366 6.576
263 HG3 LYS 33 1HG LYS 33 -0.397 2.149 4.922
264 HD2 LYS 33 2HD LYS 33 -1.134 4.431 5.204
265 HD3 LYS 33 1HD LYS 33 -2.274 3.606 4.132
266 HE2 LYS 33 2HE LYS 33 -3.574 4.905 5.721
267 HE3 LYS 33 1HE LYS 33 -3.767 3.218 6.152
268 HZ1 LYS 33 3HZ LYS 33 -2.052 3.518 7.849
269 HZ2 LYS 33 1HZ LYS 33 -3.385 4.530 8.090
270 HZ3 LYS 33 2HZ LYS 33 -1.955 5.158 7.460
271 H SER 34 H SER 34 -4.029 0.262 7.668
272 HA SER 34 HA SER 34 -3.200 2.028 9.646
273 HB2 SER 34 2HB SER 34 -5.576 1.573 9.002
274 HB3 SER 34 1HB SER 34 -5.464 -0.017 9.732
275 HG SER 34 HG SER 34 -4.780 1.448 11.678
276 H GLU 35 H GLU 35 -2.862 -1.503 9.532
277 HA GLU 35 HA GLU 35 -1.973 -1.595 12.369
278 HB2 GLU 35 2HB GLU 35 -2.622 -3.916 10.505
279 HB3 GLU 35 1HB GLU 35 -2.198 -4.036 12.218
280 HG2 GLU 35 2HG GLU 35 -4.265 -2.712 12.740
281 HG3 GLU 35 1HG GLU 35 -4.716 -2.810 11.032
282 H ALA 36 H ALA 36 -0.788 -1.698 9.124
283 HA ALA 36 HA ALA 36 1.504 -3.389 9.593
284 HB1 ALA 36 1HB ALA 36 2.099 -2.838 7.282
285 HB2 ALA 36 2HB ALA 36 0.842 -1.598 7.251
286 HB3 ALA 36 3HB ALA 36 0.399 -3.302 7.406
287 H GLU 37 H GLU 37 1.119 0.089 8.798
288 HA GLU 37 HA GLU 37 3.744 0.684 9.977
289 HB2 GLU 37 2HB GLU 37 3.302 3.048 9.156
290 HB3 GLU 37 1HB GLU 37 3.444 1.833 7.904
291 HG2 GLU 37 2HG GLU 37 1.688 3.231 7.187
292 HG3 GLU 37 1HG GLU 37 0.902 1.781 7.807
293 H GLN 38 H GLN 38 3.959 2.247 11.652
294 HA GLN 38 HA GLN 38 1.736 2.172 13.601
295 HB2 GLN 38 2HB GLN 38 4.745 2.474 14.077
296 HB3 GLN 38 1HB GLN 38 3.518 2.469 15.337
297 HG2 GLN 38 2HG GLN 38 4.496 0.295 15.351
298 HG3 GLN 38 1HG GLN 38 2.907 0.121 14.615
299 HE21 GLN 38 1HE2 GLN 38 3.438 -1.784 13.520
300 HE22 GLN 38 2HE2 GLN 38 4.514 -1.822 12.170
301 H LYS 39 H LYS 39 0.673 4.072 13.857
302 HA LYS 39 HA LYS 39 1.792 6.678 13.285
303 HB2 LYS 39 2HB LYS 39 -0.697 5.858 14.862
304 HB3 LYS 39 1HB LYS 39 -0.272 7.524 14.469
305 HG2 LYS 39 2HG LYS 39 -0.521 7.083 12.093
306 HG3 LYS 39 1HG LYS 39 -0.791 5.367 12.406
307 HD2 LYS 39 2HD LYS 39 -2.611 7.620 13.349
308 HD3 LYS 39 1HD LYS 39 -2.894 6.632 11.912
309 HE2 LYS 39 2HE LYS 39 -3.065 4.616 13.336
310 HE3 LYS 39 1HE LYS 39 -2.755 5.596 14.771
311 HZ1 LYS 39 3HZ LYS 39 -4.765 6.856 14.246
312 HZ2 LYS 39 1HZ LYS 39 -5.072 5.223 14.549
313 HZ3 LYS 39 2HZ LYS 39 -5.092 5.807 12.963
314 H LEU 40 H LEU 40 3.732 6.676 14.452
315 HA LEU 40 HA LEU 40 5.229 6.923 16.097
316 HB2 LEU 40 2HB LEU 40 2.784 7.897 17.577
317 HB3 LEU 40 1HB LEU 40 4.315 7.752 18.419
318 HG LEU 40 HG LEU 40 5.329 9.367 16.740
319 HD11 LEU 40 1HD1 LEU 40 3.866 10.763 15.360
320 HD12 LEU 40 2HD1 LEU 40 2.470 9.784 15.824
321 HD13 LEU 40 3HD1 LEU 40 3.777 9.071 14.876
322 HD21 LEU 40 3HD2 LEU 40 4.619 10.131 18.941
323 HD22 LEU 40 1HD2 LEU 40 2.980 10.412 18.346
324 HD23 LEU 40 2HD2 LEU 40 4.327 11.383 17.735
325 HA PRO 41 HA PRO 41 5.495 2.904 18.028
326 HB2 PRO 41 2HB PRO 41 7.406 3.357 20.009
327 HB3 PRO 41 1HB PRO 41 7.782 3.167 18.281
328 HG2 PRO 41 2HG PRO 41 7.483 5.698 19.877
329 HG3 PRO 41 1HG PRO 41 8.707 5.264 18.658
330 HD2 PRO 41 2HD PRO 41 6.627 6.861 18.009
331 HD3 PRO 41 1HD PRO 41 7.282 5.685 16.854
332 H LEU 42 H LEU 42 4.654 5.667 20.020
333 HA LEU 42 HA LEU 42 3.754 4.195 22.327
334 HB2 LEU 42 2HB LEU 42 3.098 7.020 21.415
335 HB3 LEU 42 1HB LEU 42 2.638 6.347 22.974
336 HG LEU 42 HG LEU 42 5.476 6.901 22.014
337 HD11 LEU 42 1HD1 LEU 42 4.266 8.932 22.598
338 HD12 LEU 42 2HD1 LEU 42 5.534 8.596 23.774
339 HD13 LEU 42 3HD1 LEU 42 3.847 8.257 24.178
340 HD21 LEU 42 3HD2 LEU 42 6.216 6.251 24.271
341 HD22 LEU 42 1HD2 LEU 42 5.468 4.901 23.422
342 HD23 LEU 42 2HD2 LEU 42 4.567 5.758 24.677
343 H GLY 43 H GLY 43 2.277 5.248 19.306
344 HA2 GLY 43 2HA GLY 43 0.430 4.288 18.265
345 HA3 GLY 43 1HA GLY 43 -0.049 3.529 19.779
Start of MODEL 12
1 H1 GLY 1 H GLY 1 20.984 12.064 -3.540
2 HA2 GLY 1 1HA GLY 1 22.910 12.818 -1.591
3 HA3 GLY 1 2HA GLY 1 21.366 12.635 -0.775
4 H HIS 2 H HIS 2 20.239 10.505 -1.059
5 HA HIS 2 HA HIS 2 21.639 8.167 -1.900
6 HB2 HIS 2 2HB HIS 2 22.204 7.176 0.299
7 HB3 HIS 2 1HB HIS 2 23.039 8.714 0.106
8 HD1 HIS 2 1HD HIS 2 20.829 6.898 2.387
9 HD2 HIS 2 2HD HIS 2 21.795 10.878 1.661
10 HE1 HIS 2 1HE HIS 2 20.038 8.172 4.402
11 HE2 HIS 2 2HE HIS 2 20.532 10.578 3.889
12 H MET 3 H MET 3 19.154 9.001 -2.487
13 HA MET 3 HA MET 3 16.944 8.760 -2.465
14 HB2 MET 3 2HB MET 3 16.028 6.443 -2.424
15 HB3 MET 3 1HB MET 3 17.410 6.643 -3.474
16 HG2 MET 3 2HG MET 3 18.833 5.482 -1.834
17 HG3 MET 3 1HG MET 3 17.451 5.311 -0.756
18 HE1 MET 3 3HE MET 3 15.235 2.679 -2.598
19 HE2 MET 3 1HE MET 3 15.030 4.426 -2.468
20 HE3 MET 3 2HE MET 3 15.539 3.485 -1.061
21 HA PRO 4 HA PRO 4 15.993 9.653 1.977
22 HB2 PRO 4 2HB PRO 4 13.920 11.350 0.602
23 HB3 PRO 4 1HB PRO 4 15.052 11.787 1.900
24 HG2 PRO 4 2HG PRO 4 15.467 12.676 -0.572
25 HG3 PRO 4 1HG PRO 4 16.830 12.140 0.437
26 HD2 PRO 4 2HD PRO 4 15.459 10.655 -1.805
27 HD3 PRO 4 1HD PRO 4 17.197 10.797 -1.445
28 H LYS 5 H LYS 5 13.415 9.531 -0.499
29 HA LYS 5 HA LYS 5 12.648 6.885 0.103
30 HB2 LYS 5 2HB LYS 5 10.286 7.255 0.795
31 HB3 LYS 5 1HB LYS 5 11.437 7.784 2.014
32 HG2 LYS 5 2HG LYS 5 11.018 10.099 1.539
33 HG3 LYS 5 1HG LYS 5 10.111 9.699 0.079
34 HD2 LYS 5 2HD LYS 5 8.356 8.623 1.485
35 HD3 LYS 5 1HD LYS 5 9.253 9.082 2.936
36 HE2 LYS 5 2HE LYS 5 7.376 10.630 2.470
37 HE3 LYS 5 1HE LYS 5 8.935 11.460 2.405
38 HZ1 LYS 5 3HZ LYS 5 7.575 12.146 0.567
39 HZ2 LYS 5 1HZ LYS 5 7.303 10.550 0.089
40 HZ3 LYS 5 2HZ LYS 5 8.850 11.220 -0.039
41 H ILE 6 H ILE 6 12.682 6.338 -1.990
42 HA ILE 6 HA ILE 6 11.528 7.810 -4.163
43 HB ILE 6 HB ILE 6 12.100 4.809 -3.995
44 HG12 ILE 6 2HG1 ILE 6 13.896 7.067 -4.996
45 HG13 ILE 6 1HG1 ILE 6 14.151 6.107 -3.546
46 HG21 ILE 6 1HG2 ILE 6 10.566 5.365 -5.848
47 HG22 ILE 6 2HG2 ILE 6 12.133 4.838 -6.458
48 HG23 ILE 6 3HG2 ILE 6 11.724 6.553 -6.457
49 HD11 ILE 6 3HD1 ILE 6 15.629 5.390 -5.302
50 HD12 ILE 6 1HD1 ILE 6 14.268 5.099 -6.388
51 HD13 ILE 6 2HD1 ILE 6 14.472 4.113 -4.937
52 H ASN 7 H ASN 7 10.461 5.385 -1.919
53 HA ASN 7 HA ASN 7 7.807 4.986 -3.067
54 HB2 ASN 7 2HB ASN 7 9.178 3.873 -0.575
55 HB3 ASN 7 1HB ASN 7 7.576 3.387 -1.136
56 HD21 ASN 7 1HD2 ASN 7 7.414 2.204 -3.132
57 HD22 ASN 7 2HD2 ASN 7 8.784 1.359 -3.751
58 H GLU 8 H GLU 8 5.960 5.824 -2.250
59 HA GLU 8 HA GLU 8 6.002 7.441 0.237
60 HB2 GLU 8 2HB GLU 8 5.496 8.701 -1.896
61 HB3 GLU 8 1HB GLU 8 4.084 7.685 -2.126
62 HG2 GLU 8 2HG GLU 8 3.437 9.871 -1.266
63 HG3 GLU 8 1HG GLU 8 3.082 8.628 -0.064
64 H ASP 9 H ASP 9 5.103 4.477 -0.964
65 HA ASP 9 HA ASP 9 2.533 4.055 0.161
66 HB2 ASP 9 2HB ASP 9 3.048 1.654 -0.312
67 HB3 ASP 9 1HB ASP 9 3.308 2.681 -1.693
68 H TRP 10 H TRP 10 2.496 1.881 1.597
69 HA TRP 10 HA TRP 10 3.961 2.430 4.104
70 HB2 TRP 10 2HB TRP 10 2.058 1.238 5.241
71 HB3 TRP 10 1HB TRP 10 1.620 2.767 4.496
72 HD1 TRP 10 HD TRP 10 -0.155 2.691 2.498
73 HE1 TRP 10 1HE TRP 10 -1.802 0.858 1.737
74 HE3 TRP 10 3HE TRP 10 1.946 -1.315 4.853
75 HZ2 TRP 10 2HZ TRP 10 -2.139 -1.914 2.075
76 HZ3 TRP 10 3HZ TRP 10 0.931 -3.534 4.564
77 HH2 TRP 10 HH TRP 10 -1.074 -3.828 3.198
78 H LEU 11 H LEU 11 4.624 0.637 5.335
79 HA LEU 11 HA LEU 11 5.402 -1.706 3.719
80 HB2 LEU 11 2HB LEU 11 7.103 0.132 4.813
81 HB3 LEU 11 1HB LEU 11 6.962 -0.941 6.183
82 HG LEU 11 HG LEU 11 8.971 -1.466 4.873
83 HD11 LEU 11 1HD1 LEU 11 7.896 -3.360 5.999
84 HD12 LEU 11 2HD1 LEU 11 8.692 -3.867 4.513
85 HD13 LEU 11 3HD1 LEU 11 6.935 -3.692 4.553
86 HD21 LEU 11 3HD2 LEU 11 8.230 -0.630 2.681
87 HD22 LEU 11 1HD2 LEU 11 7.122 -1.995 2.516
88 HD23 LEU 11 2HD2 LEU 11 8.867 -2.267 2.546
89 H CYS 12 H CYS 12 4.623 -3.639 4.428
90 HA CYS 12 HA CYS 12 2.852 -3.900 6.622
91 HB2 CYS 12 2HB CYS 12 2.733 -5.405 4.659
92 HB3 CYS 12 1HB CYS 12 4.318 -6.063 5.048
93 H ASN 13 H ASN 13 3.109 -5.091 8.590
94 HA ASN 13 HA ASN 13 5.872 -5.334 9.627
95 HB2 ASN 13 2HB ASN 13 4.782 -5.534 11.891
96 HB3 ASN 13 1HB ASN 13 4.459 -4.004 11.094
97 HD21 ASN 13 1HD2 ASN 13 2.379 -3.454 10.627
98 HD22 ASN 13 2HD2 ASN 13 0.995 -4.386 11.086
99 H LYS 14 H LYS 14 3.192 -7.189 8.510
100 HA LYS 14 HA LYS 14 3.895 -9.631 9.938
101 HB2 LYS 14 2HB LYS 14 1.707 -9.283 7.846
102 HB3 LYS 14 1HB LYS 14 1.866 -10.581 9.034
103 HG2 LYS 14 2HG LYS 14 1.744 -8.632 10.788
104 HG3 LYS 14 1HG LYS 14 1.055 -7.710 9.453
105 HD2 LYS 14 2HD LYS 14 -0.754 -9.373 9.248
106 HD3 LYS 14 1HD LYS 14 -0.048 -10.309 10.574
107 HE2 LYS 14 2HE LYS 14 -1.259 -7.529 10.716
108 HE3 LYS 14 1HE LYS 14 -1.842 -9.000 11.492
109 HZ1 LYS 14 3HZ LYS 14 0.058 -9.006 12.935
110 HZ2 LYS 14 1HZ LYS 14 -0.676 -7.490 13.027
111 HZ3 LYS 14 2HZ LYS 14 0.749 -7.687 12.137
112 H CYS 15 H CYS 15 3.214 -9.069 6.368
113 HA CYS 15 HA CYS 15 5.075 -11.221 5.703
114 HB2 CYS 15 2HB CYS 15 4.455 -10.677 3.366
115 HB3 CYS 15 1HB CYS 15 3.046 -10.949 4.387
116 H GLY 16 H GLY 16 5.053 -7.740 5.855
117 HA2 GLY 16 2HA GLY 16 6.735 -6.192 5.802
118 HA3 GLY 16 1HA GLY 16 7.905 -7.495 5.660
119 H VAL 17 H VAL 17 5.184 -6.507 3.556
120 HA VAL 17 HA VAL 17 7.050 -6.412 1.266
121 HB VAL 17 HB VAL 17 5.147 -6.754 -0.224
122 HG11 VAL 17 1HG1 VAL 17 4.596 -9.072 0.373
123 HG12 VAL 17 2HG1 VAL 17 5.185 -8.801 2.015
124 HG13 VAL 17 3HG1 VAL 17 6.303 -8.723 0.652
125 HG21 VAL 17 3HG2 VAL 17 3.394 -6.827 2.265
126 HG22 VAL 17 1HG2 VAL 17 2.864 -7.245 0.631
127 HG23 VAL 17 2HG2 VAL 17 3.375 -5.597 1.002
128 H GLN 18 H GLN 18 6.503 -4.943 -0.457
129 HA GLN 18 HA GLN 18 5.788 -2.221 0.416
130 HB2 GLN 18 2HB GLN 18 8.030 -2.627 -0.595
131 HB3 GLN 18 1HB GLN 18 7.275 -3.317 -2.019
132 HG2 GLN 18 2HG GLN 18 6.243 -1.054 -2.447
133 HG3 GLN 18 1HG GLN 18 7.213 -0.435 -1.116
134 HE21 GLN 18 1HE2 GLN 18 9.499 -0.427 -1.310
135 HE22 GLN 18 2HE2 GLN 18 10.272 -0.492 -2.855
136 H ASN 19 H ASN 19 3.704 -1.613 -0.158
137 HA ASN 19 HA ASN 19 2.338 -2.924 -2.427
138 HB2 ASN 19 2HB ASN 19 0.291 -1.932 -1.583
139 HB3 ASN 19 1HB ASN 19 1.132 -2.658 -0.222
140 HD21 ASN 19 1HD2 ASN 19 -0.755 -0.231 -0.760
141 HD22 ASN 19 2HD2 ASN 19 -0.072 0.977 0.250
142 H PHE 20 H PHE 20 0.738 -0.978 -3.462
143 HA PHE 20 HA PHE 20 2.594 1.053 -4.529
144 HB2 PHE 20 2HB PHE 20 1.562 -0.519 -6.203
145 HB3 PHE 20 1HB PHE 20 -0.030 0.097 -5.766
146 HD1 PHE 20 2HD PHE 20 3.328 1.558 -6.692
147 HD2 PHE 20 1HD PHE 20 -0.915 1.683 -7.290
148 HE1 PHE 20 2HE PHE 20 3.596 3.419 -8.301
149 HE2 PHE 20 1HE PHE 20 -0.627 3.550 -8.884
150 HZ PHE 20 HZ PHE 20 1.624 4.407 -9.392
151 H LYS 21 H LYS 21 1.575 1.497 -2.001
152 HA LYS 21 HA LYS 21 0.639 2.944 -0.630
153 HB2 LYS 21 2HB LYS 21 1.803 4.545 -2.187
154 HB3 LYS 21 1HB LYS 21 0.258 4.796 -3.001
155 HG2 LYS 21 2HG LYS 21 -0.719 5.646 -0.919
156 HG3 LYS 21 1HG LYS 21 0.799 5.315 -0.075
157 HD2 LYS 21 2HD LYS 21 1.956 7.034 -1.335
158 HD3 LYS 21 1HD LYS 21 0.570 7.250 -2.411
159 HE2 LYS 21 2HE LYS 21 0.553 7.856 0.564
160 HE3 LYS 21 1HE LYS 21 0.773 9.055 -0.711
161 HZ1 LYS 21 3HZ LYS 21 -1.429 8.477 -1.564
162 HZ2 LYS 21 1HZ LYS 21 -1.500 9.017 0.032
163 HZ3 LYS 21 2HZ LYS 21 -1.643 7.367 -0.308
164 H ARG 22 H ARG 22 -1.391 3.620 -3.491
165 HA ARG 22 HA ARG 22 -3.869 3.893 -2.450
166 HB2 ARG 22 2HB ARG 22 -2.836 2.890 -5.079
167 HB3 ARG 22 1HB ARG 22 -4.526 2.545 -4.761
168 HG2 ARG 22 2HG ARG 22 -3.283 5.309 -4.743
169 HG3 ARG 22 1HG ARG 22 -4.207 4.608 -6.073
170 HD2 ARG 22 2HD ARG 22 -6.162 4.375 -4.465
171 HD3 ARG 22 1HD ARG 22 -5.219 5.311 -3.298
172 HE ARG 22 HE ARG 22 -5.277 6.780 -5.659
173 HH11 ARG 22 1HH1 ARG 22 -7.636 5.674 -3.269
174 HH12 ARG 22 2HH1 ARG 22 -8.713 7.002 -3.558
175 HH21 ARG 22 1HH2 ARG 22 -6.724 8.473 -6.044
176 HH22 ARG 22 2HH2 ARG 22 -8.192 8.586 -5.128
177 H ARG 23 H ARG 23 -2.226 0.818 -2.991
178 HA ARG 23 HA ARG 23 -4.311 -0.993 -2.514
179 HB2 ARG 23 2HB ARG 23 -1.333 -1.239 -1.893
180 HB3 ARG 23 1HB ARG 23 -2.458 -2.586 -1.830
181 HG2 ARG 23 2HG ARG 23 -1.936 -0.984 -4.353
182 HG3 ARG 23 1HG ARG 23 -1.014 -2.417 -3.913
183 HD2 ARG 23 2HD ARG 23 -2.674 -3.106 -5.476
184 HD3 ARG 23 1HD ARG 23 -3.201 -3.700 -3.898
185 HE ARG 23 HE ARG 23 -4.383 -1.185 -4.414
186 HH11 ARG 23 1HH1 ARG 23 -4.580 -4.515 -5.559
187 HH12 ARG 23 2HH1 ARG 23 -6.240 -4.369 -6.044
188 HH21 ARG 23 1HH2 ARG 23 -6.588 -1.043 -4.986
189 HH22 ARG 23 2HH2 ARG 23 -7.377 -2.404 -5.714
190 H GLU 24 H GLU 24 -5.602 -0.789 -0.821
191 HA GLU 24 HA GLU 24 -4.832 0.547 1.605
192 HB2 GLU 24 2HB GLU 24 -7.082 0.667 0.351
193 HB3 GLU 24 1HB GLU 24 -7.467 -0.881 1.084
194 HG2 GLU 24 2HG GLU 24 -7.397 0.105 3.312
195 HG3 GLU 24 1HG GLU 24 -6.801 1.628 2.659
196 H LYS 25 H LYS 25 -5.056 -2.716 0.540
197 HA LYS 25 HA LYS 25 -4.139 -3.721 3.179
198 HB2 LYS 25 2HB LYS 25 -5.837 -5.299 1.174
199 HB3 LYS 25 1HB LYS 25 -5.311 -5.833 2.768
200 HG2 LYS 25 2HG LYS 25 -6.735 -4.092 3.820
201 HG3 LYS 25 1HG LYS 25 -7.266 -3.578 2.218
202 HD2 LYS 25 2HD LYS 25 -8.997 -4.984 3.145
203 HD3 LYS 25 1HD LYS 25 -8.208 -5.892 1.852
204 HE2 LYS 25 2HE LYS 25 -6.847 -7.072 3.605
205 HE3 LYS 25 1HE LYS 25 -7.784 -6.224 4.838
206 HZ1 LYS 25 3HZ LYS 25 -8.691 -8.411 4.475
207 HZ2 LYS 25 1HZ LYS 25 -8.865 -8.115 2.816
208 HZ3 LYS 25 2HZ LYS 25 -9.796 -7.257 3.931
209 H CYS 26 H CYS 26 -2.532 -5.438 3.017
210 HA CYS 26 HA CYS 26 -0.668 -5.287 0.931
211 HB2 CYS 26 2HB CYS 26 -1.068 -7.250 3.185
212 HB3 CYS 26 1HB CYS 26 0.084 -7.645 1.914
213 H PHE 27 H PHE 27 -0.401 -6.359 -0.922
214 HA PHE 27 HA PHE 27 -2.630 -7.401 -2.279
215 HB2 PHE 27 2HB PHE 27 -1.052 -7.726 -4.171
216 HB3 PHE 27 1HB PHE 27 -0.918 -6.150 -3.429
217 HD1 PHE 27 2HD PHE 27 1.091 -5.530 -2.089
218 HD2 PHE 27 1HD PHE 27 0.861 -9.267 -4.169
219 HE1 PHE 27 2HE PHE 27 3.531 -5.803 -1.894
220 HE2 PHE 27 1HE PHE 27 3.305 -9.516 -3.975
221 HZ PHE 27 HZ PHE 27 4.636 -7.790 -2.831
222 H LYS 28 H LYS 28 -0.524 -9.070 -0.198
223 HA LYS 28 HA LYS 28 -1.234 -11.696 -1.348
224 HB2 LYS 28 2HB LYS 28 1.126 -12.451 -0.853
225 HB3 LYS 28 1HB LYS 28 0.961 -11.290 -2.158
226 HG2 LYS 28 2HG LYS 28 2.772 -10.362 -1.103
227 HG3 LYS 28 1HG LYS 28 1.508 -9.530 -0.211
228 HD2 LYS 28 2HD LYS 28 3.213 -10.338 1.325
229 HD3 LYS 28 1HD LYS 28 1.740 -11.274 1.582
230 HE2 LYS 28 2HE LYS 28 2.688 -13.131 0.247
231 HE3 LYS 28 1HE LYS 28 4.150 -12.187 -0.038
232 HZ1 LYS 28 3HZ LYS 28 4.486 -13.766 1.732
233 HZ2 LYS 28 1HZ LYS 28 3.190 -13.133 2.608
234 HZ3 LYS 28 2HZ LYS 28 4.567 -12.194 2.345
235 H CYS 29 H CYS 29 0.002 -9.983 1.556
236 HA CYS 29 HA CYS 29 -0.619 -12.157 3.336
237 HB2 CYS 29 2HB CYS 29 1.288 -10.706 3.692
238 HB3 CYS 29 1HB CYS 29 0.258 -9.287 3.778
239 H GLY 30 H GLY 30 -2.028 -8.982 2.577
240 HA2 GLY 30 2HA GLY 30 -4.248 -8.367 2.604
241 HA3 GLY 30 1HA GLY 30 -4.662 -9.863 3.416
242 H VAL 31 H VAL 31 -2.092 -8.073 4.912
243 HA VAL 31 HA VAL 31 -3.660 -7.361 7.188
244 HB VAL 31 HB VAL 31 -1.215 -7.711 7.394
245 HG11 VAL 31 1HG1 VAL 31 -0.428 -6.726 5.307
246 HG12 VAL 31 2HG1 VAL 31 0.408 -6.002 6.680
247 HG13 VAL 31 3HG1 VAL 31 -0.880 -5.112 5.868
248 HG21 VAL 31 3HG2 VAL 31 -2.357 -6.405 9.137
249 HG22 VAL 31 1HG2 VAL 31 -2.055 -4.912 8.242
250 HG23 VAL 31 2HG2 VAL 31 -0.704 -5.829 8.916
251 HA PRO 32 HA PRO 32 -5.362 -3.473 5.468
252 HB2 PRO 32 2HB PRO 32 -6.384 -2.499 7.866
253 HB3 PRO 32 1HB PRO 32 -7.230 -3.691 6.860
254 HG2 PRO 32 2HG PRO 32 -5.532 -4.153 9.290
255 HG3 PRO 32 1HG PRO 32 -7.095 -4.883 8.862
256 HD2 PRO 32 2HD PRO 32 -4.790 -6.223 8.484
257 HD3 PRO 32 1HD PRO 32 -6.136 -6.375 7.329
258 H LYS 33 H LYS 33 -4.462 -1.441 5.346
259 HA LYS 33 HA LYS 33 -1.940 -0.766 6.292
260 HB2 LYS 33 2HB LYS 33 -2.979 0.387 4.393
261 HB3 LYS 33 1HB LYS 33 -4.228 1.057 5.434
262 HG2 LYS 33 2HG LYS 33 -2.439 2.354 6.650
263 HG3 LYS 33 1HG LYS 33 -1.273 1.745 5.470
264 HD2 LYS 33 2HD LYS 33 -1.966 3.973 4.797
265 HD3 LYS 33 1HD LYS 33 -2.618 2.804 3.648
266 HE2 LYS 33 2HE LYS 33 -4.802 2.902 4.969
267 HE3 LYS 33 1HE LYS 33 -4.101 4.248 5.862
268 HZ1 LYS 33 3HZ LYS 33 -5.474 5.034 4.029
269 HZ2 LYS 33 1HZ LYS 33 -4.509 4.202 2.917
270 HZ3 LYS 33 2HZ LYS 33 -3.862 5.483 3.803
271 H SER 34 H SER 34 -5.087 -0.283 7.700
272 HA SER 34 HA SER 34 -4.591 1.532 9.735
273 HB2 SER 34 2HB SER 34 -6.841 0.678 8.966
274 HB3 SER 34 1HB SER 34 -6.525 -0.827 9.829
275 HG SER 34 HG SER 34 -7.057 1.749 10.818
276 H GLU 35 H GLU 35 -3.948 -1.932 9.552
277 HA GLU 35 HA GLU 35 -2.932 -2.071 12.322
278 HB2 GLU 35 2HB GLU 35 -4.601 -3.728 11.614
279 HB3 GLU 35 1HB GLU 35 -3.579 -4.228 10.269
280 HG2 GLU 35 2HG GLU 35 -1.928 -5.146 11.832
281 HG3 GLU 35 1HG GLU 35 -2.848 -4.536 13.204
282 H ALA 36 H ALA 36 -1.863 -1.845 9.054
283 HA ALA 36 HA ALA 36 0.707 -3.148 9.291
284 HB1 ALA 36 1HB ALA 36 -0.321 -1.234 7.165
285 HB2 ALA 36 2HB ALA 36 -0.479 -2.994 7.140
286 HB3 ALA 36 3HB ALA 36 1.121 -2.249 7.041
287 H GLU 37 H GLU 37 2.445 -1.371 8.040
288 HA GLU 37 HA GLU 37 3.980 0.225 8.374
289 HB2 GLU 37 2HB GLU 37 1.760 1.622 9.921
290 HB3 GLU 37 1HB GLU 37 3.265 2.381 9.421
291 HG2 GLU 37 2HG GLU 37 2.675 2.224 7.098
292 HG3 GLU 37 1HG GLU 37 1.272 1.214 7.460
293 H GLN 38 H GLN 38 4.776 1.751 10.522
294 HA GLN 38 HA GLN 38 5.424 -0.150 12.645
295 HB2 GLN 38 2HB GLN 38 6.200 2.787 12.300
296 HB3 GLN 38 1HB GLN 38 6.830 1.708 13.545
297 HG2 GLN 38 2HG GLN 38 7.782 0.263 11.709
298 HG3 GLN 38 1HG GLN 38 7.275 1.488 10.547
299 HE21 GLN 38 1HE2 GLN 38 9.955 0.517 11.167
300 HE22 GLN 38 2HE2 GLN 38 10.872 1.901 11.648
301 H LYS 39 H LYS 39 3.133 -0.404 13.213
302 HA LYS 39 HA LYS 39 2.082 1.729 14.967
303 HB2 LYS 39 2HB LYS 39 1.052 1.708 12.578
304 HB3 LYS 39 1HB LYS 39 0.263 0.211 13.063
305 HG2 LYS 39 2HG LYS 39 -0.767 1.466 15.001
306 HG3 LYS 39 1HG LYS 39 -0.065 2.943 14.348
307 HD2 LYS 39 2HD LYS 39 -2.194 1.204 13.071
308 HD3 LYS 39 1HD LYS 39 -2.389 2.827 13.717
309 HE2 LYS 39 2HE LYS 39 -2.320 3.226 11.431
310 HE3 LYS 39 1HE LYS 39 -0.636 3.495 11.870
311 HZ1 LYS 39 3HZ LYS 39 -0.869 2.162 9.859
312 HZ2 LYS 39 1HZ LYS 39 -1.744 0.996 10.698
313 HZ3 LYS 39 2HZ LYS 39 -0.120 1.265 11.079
314 H LEU 40 H LEU 40 0.949 1.020 16.729
315 HA LEU 40 HA LEU 40 0.624 -0.204 18.573
316 HB2 LEU 40 2HB LEU 40 0.097 -2.379 16.531
317 HB3 LEU 40 1HB LEU 40 0.080 -2.749 18.243
318 HG LEU 40 HG LEU 40 -1.783 -1.085 18.540
319 HD11 LEU 40 1HD1 LEU 40 -1.409 0.352 16.614
320 HD12 LEU 40 2HD1 LEU 40 -3.051 -0.289 16.611
321 HD13 LEU 40 3HD1 LEU 40 -1.838 -0.968 15.521
322 HD21 LEU 40 3HD2 LEU 40 -2.269 -3.478 18.367
323 HD22 LEU 40 1HD2 LEU 40 -2.369 -3.351 16.606
324 HD23 LEU 40 2HD2 LEU 40 -3.551 -2.523 17.625
325 HA PRO 41 HA PRO 41 4.725 -1.850 19.612
326 HB2 PRO 41 2HB PRO 41 3.481 -3.076 22.037
327 HB3 PRO 41 1HB PRO 41 4.757 -1.850 21.925
328 HG2 PRO 41 2HG PRO 41 2.282 -1.215 22.770
329 HG3 PRO 41 1HG PRO 41 3.270 -0.085 21.815
330 HD2 PRO 41 2HD PRO 41 0.981 -1.820 20.903
331 HD3 PRO 41 1HD PRO 41 1.367 -0.138 20.462
332 H LEU 42 H LEU 42 1.813 -3.782 19.730
333 HA LEU 42 HA LEU 42 2.970 -6.383 19.626
334 HB2 LEU 42 2HB LEU 42 0.657 -5.938 20.430
335 HB3 LEU 42 1HB LEU 42 0.198 -5.424 18.815
336 HG LEU 42 HG LEU 42 0.680 -7.766 17.996
337 HD11 LEU 42 1HD1 LEU 42 0.962 -8.427 20.940
338 HD12 LEU 42 2HD1 LEU 42 2.241 -8.491 19.724
339 HD13 LEU 42 3HD1 LEU 42 0.871 -9.593 19.617
340 HD21 LEU 42 3HD2 LEU 42 -1.433 -7.533 20.161
341 HD22 LEU 42 1HD2 LEU 42 -1.394 -8.741 18.871
342 HD23 LEU 42 2HD2 LEU 42 -1.607 -7.038 18.474
343 H GLY 43 H GLY 43 1.447 -4.286 17.157
344 HA2 GLY 43 2HA GLY 43 1.781 -4.110 14.890
345 HA3 GLY 43 1HA GLY 43 3.058 -5.308 14.989
Start of MODEL 13
1 H1 GLY 1 H GLY 1 8.794 16.312 -12.409
2 HA2 GLY 1 1HA GLY 1 10.910 14.809 -13.586
3 HA3 GLY 1 2HA GLY 1 10.567 14.120 -12.006
4 H HIS 2 H HIS 2 10.027 12.223 -13.504
5 HA HIS 2 HA HIS 2 7.446 12.425 -14.903
6 HB2 HIS 2 2HB HIS 2 7.961 10.270 -15.898
7 HB3 HIS 2 1HB HIS 2 9.379 11.291 -16.030
8 HD1 HIS 2 1HD HIS 2 11.538 10.439 -14.980
9 HD2 HIS 2 2HD HIS 2 8.248 8.072 -14.052
10 HE1 HIS 2 1HE HIS 2 12.469 8.345 -13.952
11 HE2 HIS 2 2HE HIS 2 10.453 7.042 -13.215
12 H MET 3 H MET 3 7.844 12.341 -11.833
13 HA MET 3 HA MET 3 5.828 10.242 -11.270
14 HB2 MET 3 2HB MET 3 6.878 9.898 -9.036
15 HB3 MET 3 1HB MET 3 7.950 9.458 -10.353
16 HG2 MET 3 2HG MET 3 8.133 12.012 -8.737
17 HG3 MET 3 1HG MET 3 9.129 10.582 -8.495
18 HE1 MET 3 3HE MET 3 11.095 9.851 -10.099
19 HE2 MET 3 1HE MET 3 11.392 10.579 -11.681
20 HE3 MET 3 2HE MET 3 9.924 9.646 -11.404
21 HA PRO 4 HA PRO 4 3.750 14.209 -9.949
22 HB2 PRO 4 2HB PRO 4 1.422 12.536 -10.870
23 HB3 PRO 4 1HB PRO 4 1.771 14.251 -11.188
24 HG2 PRO 4 2HG PRO 4 2.080 12.452 -13.117
25 HG3 PRO 4 1HG PRO 4 3.259 13.773 -12.922
26 HD2 PRO 4 2HD PRO 4 3.504 10.889 -12.049
27 HD3 PRO 4 1HD PRO 4 4.704 11.930 -12.851
28 H LYS 5 H LYS 5 3.110 10.747 -9.509
29 HA LYS 5 HA LYS 5 1.944 10.999 -6.884
30 HB2 LYS 5 2HB LYS 5 1.938 8.607 -6.804
31 HB3 LYS 5 1HB LYS 5 1.602 9.011 -8.483
32 HG2 LYS 5 2HG LYS 5 3.951 8.504 -9.088
33 HG3 LYS 5 1HG LYS 5 4.308 8.144 -7.397
34 HD2 LYS 5 2HD LYS 5 4.011 6.051 -8.550
35 HD3 LYS 5 1HD LYS 5 2.617 6.283 -7.491
36 HE2 LYS 5 2HE LYS 5 1.927 5.419 -9.681
37 HE3 LYS 5 1HE LYS 5 1.288 7.046 -9.432
38 HZ1 LYS 5 3HZ LYS 5 2.229 6.693 -11.664
39 HZ2 LYS 5 1HZ LYS 5 3.748 6.422 -10.980
40 HZ3 LYS 5 2HZ LYS 5 3.009 7.936 -10.831
41 H ILE 6 H ILE 6 2.991 10.287 -4.903
42 HA ILE 6 HA ILE 6 5.917 10.656 -4.845
43 HB ILE 6 HB ILE 6 3.960 10.555 -2.499
44 HG12 ILE 6 2HG1 ILE 6 4.646 13.066 -2.257
45 HG13 ILE 6 1HG1 ILE 6 5.217 12.948 -3.914
46 HG21 ILE 6 1HG2 ILE 6 6.930 11.197 -2.535
47 HG22 ILE 6 2HG2 ILE 6 6.180 9.742 -1.873
48 HG23 ILE 6 3HG2 ILE 6 5.880 11.309 -1.121
49 HD11 ILE 6 3HD1 ILE 6 2.931 12.415 -4.654
50 HD12 ILE 6 1HD1 ILE 6 3.003 13.954 -3.793
51 HD13 ILE 6 2HD1 ILE 6 2.371 12.521 -2.984
52 H ASN 7 H ASN 7 3.357 8.602 -3.470
53 HA ASN 7 HA ASN 7 3.309 6.596 -2.482
54 HB2 ASN 7 2HB ASN 7 4.610 5.940 -5.139
55 HB3 ASN 7 1HB ASN 7 4.062 4.700 -4.017
56 HD21 ASN 7 1HD2 ASN 7 2.512 3.938 -5.539
57 HD22 ASN 7 2HD2 ASN 7 1.059 4.819 -5.863
58 H GLU 8 H GLU 8 4.785 7.549 -0.899
59 HA GLU 8 HA GLU 8 7.424 6.629 -0.531
60 HB2 GLU 8 2HB GLU 8 6.438 8.466 0.778
61 HB3 GLU 8 1HB GLU 8 5.241 7.376 1.463
62 HG2 GLU 8 2HG GLU 8 6.935 7.858 3.115
63 HG3 GLU 8 1HG GLU 8 7.052 6.161 2.646
64 H ASP 9 H ASP 9 4.284 5.164 -0.069
65 HA ASP 9 HA ASP 9 3.494 3.146 0.345
66 HB2 ASP 9 2HB ASP 9 4.980 2.426 -1.474
67 HB3 ASP 9 1HB ASP 9 6.301 2.187 -0.336
68 H TRP 10 H TRP 10 3.404 1.336 1.744
69 HA TRP 10 HA TRP 10 4.797 1.633 4.323
70 HB2 TRP 10 2HB TRP 10 2.730 0.486 5.249
71 HB3 TRP 10 1HB TRP 10 2.459 2.099 4.609
72 HD1 TRP 10 HD TRP 10 1.187 2.198 2.097
73 HE1 TRP 10 1HE TRP 10 -0.633 0.628 1.174
74 HE3 TRP 10 3HE TRP 10 1.950 -1.799 5.160
75 HZ2 TRP 10 2HZ TRP 10 -1.624 -1.950 1.693
76 HZ3 TRP 10 3HZ TRP 10 0.526 -3.781 4.896
77 HH2 TRP 10 HH TRP 10 -1.217 -3.858 3.198
78 H LEU 11 H LEU 11 6.166 0.074 4.739
79 HA LEU 11 HA LEU 11 6.192 -2.480 3.317
80 HB2 LEU 11 2HB LEU 11 8.255 -1.001 3.943
81 HB3 LEU 11 1HB LEU 11 8.034 -1.570 5.578
82 HG LEU 11 HG LEU 11 9.860 -2.736 4.327
83 HD11 LEU 11 1HD1 LEU 11 8.844 -3.900 6.213
84 HD12 LEU 11 2HD1 LEU 11 9.364 -5.027 4.965
85 HD13 LEU 11 3HD1 LEU 11 7.651 -4.635 5.141
86 HD21 LEU 11 3HD2 LEU 11 8.841 -2.682 2.090
87 HD22 LEU 11 1HD2 LEU 11 7.663 -3.896 2.592
88 HD23 LEU 11 2HD2 LEU 11 9.380 -4.299 2.529
89 H CYS 12 H CYS 12 5.068 -4.237 4.183
90 HA CYS 12 HA CYS 12 3.461 -3.974 6.514
91 HB2 CYS 12 2HB CYS 12 2.885 -5.571 4.672
92 HB3 CYS 12 1HB CYS 12 4.267 -6.563 5.116
93 H ASN 13 H ASN 13 3.516 -5.099 8.446
94 HA ASN 13 HA ASN 13 6.176 -5.414 9.641
95 HB2 ASN 13 2HB ASN 13 4.890 -5.323 11.789
96 HB3 ASN 13 1HB ASN 13 4.590 -3.926 10.761
97 HD21 ASN 13 1HD2 ASN 13 2.873 -4.450 12.766
98 HD22 ASN 13 2HD2 ASN 13 1.354 -5.003 12.162
99 H LYS 14 H LYS 14 3.775 -7.375 8.282
100 HA LYS 14 HA LYS 14 4.502 -9.774 9.869
101 HB2 LYS 14 2HB LYS 14 1.938 -9.113 8.370
102 HB3 LYS 14 1HB LYS 14 2.275 -10.680 9.109
103 HG2 LYS 14 2HG LYS 14 2.371 -9.663 11.328
104 HG3 LYS 14 1HG LYS 14 2.175 -8.052 10.633
105 HD2 LYS 14 2HD LYS 14 0.124 -10.294 10.595
106 HD3 LYS 14 1HD LYS 14 0.067 -8.832 11.586
107 HE2 LYS 14 2HE LYS 14 -0.127 -8.976 8.558
108 HE3 LYS 14 1HE LYS 14 -1.414 -8.565 9.688
109 HZ1 LYS 14 3HZ LYS 14 -0.521 -6.584 8.684
110 HZ2 LYS 14 1HZ LYS 14 1.042 -6.971 9.195
111 HZ3 LYS 14 2HZ LYS 14 -0.149 -6.586 10.326
112 H CYS 15 H CYS 15 3.083 -9.213 6.523
113 HA CYS 15 HA CYS 15 4.581 -11.458 5.491
114 HB2 CYS 15 2HB CYS 15 3.658 -10.763 3.300
115 HB3 CYS 15 1HB CYS 15 2.417 -10.899 4.538
116 H GLY 16 H GLY 16 5.068 -8.036 5.752
117 HA2 GLY 16 2HA GLY 16 6.931 -6.742 5.605
118 HA3 GLY 16 1HA GLY 16 7.882 -8.202 5.375
119 H VAL 17 H VAL 17 5.220 -7.124 3.334
120 HA VAL 17 HA VAL 17 7.027 -7.235 1.012
121 HB VAL 17 HB VAL 17 5.053 -7.496 -0.373
122 HG11 VAL 17 1HG1 VAL 17 4.904 -9.325 2.049
123 HG12 VAL 17 2HG1 VAL 17 5.991 -9.508 0.669
124 HG13 VAL 17 3HG1 VAL 17 4.250 -9.672 0.442
125 HG21 VAL 17 3HG2 VAL 17 3.472 -6.023 0.788
126 HG22 VAL 17 1HG2 VAL 17 3.367 -7.154 2.139
127 HG23 VAL 17 2HG2 VAL 17 2.758 -7.616 0.545
128 H GLN 18 H GLN 18 7.028 -5.677 -0.610
129 HA GLN 18 HA GLN 18 6.399 -2.928 0.180
130 HB2 GLN 18 2HB GLN 18 8.656 -3.680 -0.852
131 HB3 GLN 18 1HB GLN 18 7.798 -3.860 -2.371
132 HG2 GLN 18 2HG GLN 18 7.864 -1.237 -0.848
133 HG3 GLN 18 1HG GLN 18 9.116 -1.688 -2.002
134 HE21 GLN 18 1HE2 GLN 18 7.139 0.538 -1.985
135 HE22 GLN 18 2HE2 GLN 18 6.300 0.424 -3.491
136 H ASN 19 H ASN 19 4.502 -2.094 -0.414
137 HA ASN 19 HA ASN 19 2.838 -3.375 -2.495
138 HB2 ASN 19 2HB ASN 19 2.004 -1.565 -0.179
139 HB3 ASN 19 1HB ASN 19 0.922 -2.351 -1.297
140 HD21 ASN 19 1HD2 ASN 19 2.944 -2.778 1.493
141 HD22 ASN 19 2HD2 ASN 19 2.412 -4.376 1.882
142 H PHE 20 H PHE 20 1.141 -0.804 -2.513
143 HA PHE 20 HA PHE 20 2.905 0.851 -4.230
144 HB2 PHE 20 2HB PHE 20 1.472 -0.741 -5.533
145 HB3 PHE 20 1HB PHE 20 0.037 -0.011 -4.824
146 HD1 PHE 20 2HD PHE 20 3.151 1.162 -6.555
147 HD2 PHE 20 1HD PHE 20 -1.104 1.456 -6.265
148 HE1 PHE 20 2HE PHE 20 3.136 2.807 -8.397
149 HE2 PHE 20 1HE PHE 20 -1.110 3.108 -8.102
150 HZ PHE 20 HZ PHE 20 1.008 3.776 -9.167
151 H LYS 21 H LYS 21 1.972 1.207 -1.434
152 HA LYS 21 HA LYS 21 1.050 2.530 0.067
153 HB2 LYS 21 2HB LYS 21 2.511 4.207 -1.076
154 HB3 LYS 21 1HB LYS 21 1.120 4.717 -2.036
155 HG2 LYS 21 2HG LYS 21 -0.069 5.417 -0.029
156 HG3 LYS 21 1HG LYS 21 1.224 4.763 0.984
157 HD2 LYS 21 2HD LYS 21 2.784 6.457 0.156
158 HD3 LYS 21 1HD LYS 21 1.573 7.056 -0.986
159 HE2 LYS 21 2HE LYS 21 1.764 8.504 1.015
160 HE3 LYS 21 1HE LYS 21 0.154 7.800 0.858
161 HZ1 LYS 21 3HZ LYS 21 1.069 7.755 3.147
162 HZ2 LYS 21 1HZ LYS 21 2.283 6.706 2.622
163 HZ3 LYS 21 2HZ LYS 21 0.665 6.223 2.569
164 H ARG 22 H ARG 22 -0.641 3.597 -2.900
165 HA ARG 22 HA ARG 22 -3.208 3.961 -1.967
166 HB2 ARG 22 2HB ARG 22 -2.329 2.889 -4.674
167 HB3 ARG 22 1HB ARG 22 -3.925 3.550 -4.334
168 HG2 ARG 22 2HG ARG 22 -1.304 5.082 -4.200
169 HG3 ARG 22 1HG ARG 22 -2.485 5.168 -5.508
170 HD2 ARG 22 2HD ARG 22 -4.164 6.048 -3.878
171 HD3 ARG 22 1HD ARG 22 -2.922 6.036 -2.627
172 HE ARG 22 HE ARG 22 -1.691 7.578 -4.292
173 HH11 ARG 22 1HH1 ARG 22 -5.171 7.646 -3.732
174 HH12 ARG 22 2HH1 ARG 22 -5.316 9.322 -4.144
175 HH21 ARG 22 1HH2 ARG 22 -1.894 9.755 -4.844
176 HH22 ARG 22 2HH2 ARG 22 -3.444 10.523 -4.780
177 H ARG 23 H ARG 23 -1.549 0.955 -2.353
178 HA ARG 23 HA ARG 23 -3.602 -0.914 -2.126
179 HB2 ARG 23 2HB ARG 23 -0.802 -0.770 -0.967
180 HB3 ARG 23 1HB ARG 23 -1.834 -2.168 -0.685
181 HG2 ARG 23 2HG ARG 23 -1.243 -1.195 -3.486
182 HG3 ARG 23 1HG ARG 23 -0.137 -2.268 -2.632
183 HD2 ARG 23 2HD ARG 23 -1.827 -3.976 -2.452
184 HD3 ARG 23 1HD ARG 23 -3.066 -2.896 -3.115
185 HE ARG 23 HE ARG 23 -1.002 -3.059 -4.983
186 HH11 ARG 23 1HH1 ARG 23 -3.417 -5.232 -3.606
187 HH12 ARG 23 2HH1 ARG 23 -3.498 -6.218 -5.027
188 HH21 ARG 23 1HH2 ARG 23 -1.158 -4.333 -6.846
189 HH22 ARG 23 2HH2 ARG 23 -2.216 -5.706 -6.866
190 H GLU 24 H GLU 24 -5.306 -0.505 -0.870
191 HA GLU 24 HA GLU 24 -5.383 0.581 1.732
192 HB2 GLU 24 2HB GLU 24 -7.312 0.118 0.015
193 HB3 GLU 24 1HB GLU 24 -7.348 -1.507 0.674
194 HG2 GLU 24 2HG GLU 24 -7.849 1.041 2.253
195 HG3 GLU 24 1HG GLU 24 -9.103 0.003 1.592
196 H LYS 25 H LYS 25 -5.077 -2.692 0.475
197 HA LYS 25 HA LYS 25 -4.198 -3.736 3.106
198 HB2 LYS 25 2HB LYS 25 -5.890 -5.101 0.962
199 HB3 LYS 25 1HB LYS 25 -5.127 -5.967 2.294
200 HG2 LYS 25 2HG LYS 25 -6.426 -4.676 3.917
201 HG3 LYS 25 1HG LYS 25 -7.182 -3.761 2.608
202 HD2 LYS 25 2HD LYS 25 -8.317 -5.742 1.787
203 HD3 LYS 25 1HD LYS 25 -7.408 -6.786 2.884
204 HE2 LYS 25 2HE LYS 25 -8.509 -5.732 4.803
205 HE3 LYS 25 1HE LYS 25 -9.422 -4.678 3.718
206 HZ1 LYS 25 3HZ LYS 25 -10.774 -6.545 4.371
207 HZ2 LYS 25 1HZ LYS 25 -9.593 -7.643 3.850
208 HZ3 LYS 25 2HZ LYS 25 -10.405 -6.680 2.727
209 H CYS 26 H CYS 26 -2.709 -5.524 2.991
210 HA CYS 26 HA CYS 26 -0.562 -5.334 1.201
211 HB2 CYS 26 2HB CYS 26 -1.448 -7.457 3.172
212 HB3 CYS 26 1HB CYS 26 -0.095 -7.777 2.097
213 H PHE 27 H PHE 27 0.056 -6.626 -0.588
214 HA PHE 27 HA PHE 27 -2.094 -7.080 -2.381
215 HB2 PHE 27 2HB PHE 27 -0.499 -7.327 -4.103
216 HB3 PHE 27 1HB PHE 27 0.254 -6.239 -2.961
217 HD1 PHE 27 2HD PHE 27 0.404 -9.632 -4.427
218 HD2 PHE 27 1HD PHE 27 2.290 -6.866 -1.761
219 HE1 PHE 27 2HE PHE 27 2.412 -11.050 -4.379
220 HE2 PHE 27 1HE PHE 27 4.295 -8.289 -1.743
221 HZ PHE 27 HZ PHE 27 4.360 -10.374 -3.025
222 H LYS 28 H LYS 28 -0.808 -9.192 -0.076
223 HA LYS 28 HA LYS 28 -2.202 -11.468 -1.270
224 HB2 LYS 28 2HB LYS 28 -0.267 -12.996 -0.934
225 HB3 LYS 28 1HB LYS 28 0.029 -11.762 -2.146
226 HG2 LYS 28 2HG LYS 28 2.034 -11.610 -1.077
227 HG3 LYS 28 1HG LYS 28 1.154 -10.508 -0.033
228 HD2 LYS 28 2HD LYS 28 0.987 -12.138 1.699
229 HD3 LYS 28 1HD LYS 28 1.324 -13.478 0.602
230 HE2 LYS 28 2HE LYS 28 3.658 -12.682 0.372
231 HE3 LYS 28 1HE LYS 28 3.316 -11.377 1.511
232 HZ1 LYS 28 3HZ LYS 28 3.193 -14.292 2.093
233 HZ2 LYS 28 1HZ LYS 28 2.817 -13.068 3.197
234 HZ3 LYS 28 2HZ LYS 28 4.395 -13.222 2.609
235 H CYS 29 H CYS 29 -0.432 -10.177 1.574
236 HA CYS 29 HA CYS 29 -1.488 -12.074 3.423
237 HB2 CYS 29 2HB CYS 29 0.635 -10.866 3.725
238 HB3 CYS 29 1HB CYS 29 -0.238 -9.345 3.878
239 H GLY 30 H GLY 30 -2.649 -9.011 2.141
240 HA2 GLY 30 2HA GLY 30 -4.780 -8.160 2.047
241 HA3 GLY 30 1HA GLY 30 -5.337 -9.666 2.758
242 H VAL 31 H VAL 31 -3.014 -7.964 4.622
243 HA VAL 31 HA VAL 31 -4.966 -7.260 6.638
244 HB VAL 31 HB VAL 31 -2.767 -8.137 7.341
245 HG11 VAL 31 1HG1 VAL 31 -0.690 -6.838 7.139
246 HG12 VAL 31 2HG1 VAL 31 -1.534 -5.618 6.179
247 HG13 VAL 31 3HG1 VAL 31 -1.342 -7.258 5.553
248 HG21 VAL 31 3HG2 VAL 31 -2.232 -6.467 9.098
249 HG22 VAL 31 1HG2 VAL 31 -3.970 -6.709 8.921
250 HG23 VAL 31 2HG2 VAL 31 -3.208 -5.266 8.247
251 HA PRO 32 HA PRO 32 -5.527 -3.004 5.106
252 HB2 PRO 32 2HB PRO 32 -6.414 -1.925 7.544
253 HB3 PRO 32 1HB PRO 32 -7.458 -2.724 6.351
254 HG2 PRO 32 2HG PRO 32 -6.215 -3.871 8.829
255 HG3 PRO 32 1HG PRO 32 -7.864 -4.085 8.194
256 HD2 PRO 32 2HD PRO 32 -6.028 -6.000 7.846
257 HD3 PRO 32 1HD PRO 32 -7.170 -5.613 6.539
258 H LYS 33 H LYS 33 -4.406 -1.132 5.247
259 HA LYS 33 HA LYS 33 -1.712 -1.170 5.919
260 HB2 LYS 33 2HB LYS 33 -2.711 0.240 4.163
261 HB3 LYS 33 1HB LYS 33 -3.571 1.180 5.377
262 HG2 LYS 33 2HG LYS 33 -1.283 1.880 6.277
263 HG3 LYS 33 1HG LYS 33 -0.590 1.124 4.840
264 HD2 LYS 33 2HD LYS 33 -0.847 3.513 4.430
265 HD3 LYS 33 1HD LYS 33 -1.987 2.630 3.410
266 HE2 LYS 33 2HE LYS 33 -3.749 3.063 5.208
267 HE3 LYS 33 1HE LYS 33 -2.581 4.138 5.974
268 HZ1 LYS 33 3HZ LYS 33 -2.569 5.523 4.038
269 HZ2 LYS 33 1HZ LYS 33 -4.170 5.305 4.534
270 HZ3 LYS 33 2HZ LYS 33 -3.575 4.461 3.195
271 H SER 34 H SER 34 -4.454 -0.228 7.842
272 HA SER 34 HA SER 34 -3.413 1.426 9.807
273 HB2 SER 34 2HB SER 34 -5.814 0.964 9.604
274 HB3 SER 34 1HB SER 34 -5.568 -0.726 10.037
275 HG SER 34 HG SER 34 -4.566 0.458 12.045
276 H GLU 35 H GLU 35 -3.460 -2.133 9.669
277 HA GLU 35 HA GLU 35 -1.726 -2.341 12.050
278 HB2 GLU 35 2HB GLU 35 -3.975 -3.758 11.533
279 HB3 GLU 35 1HB GLU 35 -2.848 -4.787 10.672
280 HG2 GLU 35 2HG GLU 35 -2.763 -4.085 13.624
281 HG3 GLU 35 1HG GLU 35 -3.238 -5.629 12.927
282 H ALA 36 H ALA 36 -0.224 -1.250 10.452
283 HA ALA 36 HA ALA 36 1.842 -3.031 9.672
284 HB1 ALA 36 1HB ALA 36 1.916 -2.526 7.243
285 HB2 ALA 36 2HB ALA 36 0.377 -1.669 7.375
286 HB3 ALA 36 3HB ALA 36 0.448 -3.406 7.677
287 H GLU 37 H GLU 37 0.363 0.144 9.185
288 HA GLU 37 HA GLU 37 2.859 1.620 9.357
289 HB2 GLU 37 2HB GLU 37 -0.071 2.473 9.231
290 HB3 GLU 37 1HB GLU 37 1.224 3.638 9.471
291 HG2 GLU 37 2HG GLU 37 1.135 1.788 7.077
292 HG3 GLU 37 1HG GLU 37 0.324 3.351 7.092
293 H GLN 38 H GLN 38 3.683 2.593 11.173
294 HA GLN 38 HA GLN 38 2.593 2.217 13.794
295 HB2 GLN 38 2HB GLN 38 4.735 4.177 12.833
296 HB3 GLN 38 1HB GLN 38 4.337 3.880 14.519
297 HG2 GLN 38 2HG GLN 38 5.654 1.983 12.569
298 HG3 GLN 38 1HG GLN 38 6.344 2.685 14.027
299 HE21 GLN 38 1HE2 GLN 38 5.505 1.930 16.094
300 HE22 GLN 38 2HE2 GLN 38 4.857 0.334 16.221
301 H LYS 39 H LYS 39 2.023 4.101 15.215
302 HA LYS 39 HA LYS 39 0.503 5.633 15.825
303 HB2 LYS 39 2HB LYS 39 2.046 7.214 14.653
304 HB3 LYS 39 1HB LYS 39 1.139 6.988 13.160
305 HG2 LYS 39 2HG LYS 39 -0.868 7.951 14.267
306 HG3 LYS 39 1HG LYS 39 0.089 8.221 15.727
307 HD2 LYS 39 2HD LYS 39 1.564 9.764 14.485
308 HD3 LYS 39 1HD LYS 39 0.640 9.475 13.006
309 HE2 LYS 39 2HE LYS 39 -0.019 11.597 14.060
310 HE3 LYS 39 1HE LYS 39 -1.362 10.452 14.068
311 HZ1 LYS 39 3HZ LYS 39 -1.130 11.608 16.186
312 HZ2 LYS 39 1HZ LYS 39 0.435 11.000 16.371
313 HZ3 LYS 39 2HZ LYS 39 -0.887 9.947 16.376
314 H LEU 40 H LEU 40 -1.079 3.994 15.724
315 HA LEU 40 HA LEU 40 -2.642 3.470 13.356
316 HB2 LEU 40 2HB LEU 40 -2.939 2.514 16.241
317 HB3 LEU 40 1HB LEU 40 -4.019 2.023 14.949
318 HG LEU 40 HG LEU 40 -2.010 1.014 13.749
319 HD11 LEU 40 1HD1 LEU 40 -0.222 2.260 14.835
320 HD12 LEU 40 2HD1 LEU 40 0.016 0.523 15.000
321 HD13 LEU 40 3HD1 LEU 40 -0.576 1.466 16.371
322 HD21 LEU 40 3HD2 LEU 40 -2.684 -0.159 16.467
323 HD22 LEU 40 1HD2 LEU 40 -1.961 -1.029 15.109
324 HD23 LEU 40 2HD2 LEU 40 -3.596 -0.388 14.974
325 HA PRO 41 HA PRO 41 -5.816 6.574 13.864
326 HB2 PRO 41 2HB PRO 41 -7.909 4.649 12.963
327 HB3 PRO 41 1HB PRO 41 -7.325 6.125 12.171
328 HG2 PRO 41 2HG PRO 41 -6.732 3.705 11.181
329 HG3 PRO 41 1HG PRO 41 -5.559 5.041 11.116
330 HD2 PRO 41 2HD PRO 41 -5.674 2.734 13.058
331 HD3 PRO 41 1HD PRO 41 -4.272 3.416 12.199
332 H LEU 42 H LEU 42 -5.533 6.384 16.264
333 HA LEU 42 HA LEU 42 -7.750 5.146 17.724
334 HB2 LEU 42 2HB LEU 42 -5.216 6.541 18.629
335 HB3 LEU 42 1HB LEU 42 -6.557 6.348 19.739
336 HG LEU 42 HG LEU 42 -6.410 3.841 19.375
337 HD11 LEU 42 1HD1 LEU 42 -4.389 2.868 18.452
338 HD12 LEU 42 2HD1 LEU 42 -3.789 4.468 18.010
339 HD13 LEU 42 3HD1 LEU 42 -5.236 3.821 17.234
340 HD21 LEU 42 3HD2 LEU 42 -3.946 5.155 20.558
341 HD22 LEU 42 1HD2 LEU 42 -4.525 3.520 20.895
342 HD23 LEU 42 2HD2 LEU 42 -5.490 4.911 21.381
343 H GLY 43 H GLY 43 -9.445 6.336 16.819
344 HA2 GLY 43 2HA GLY 43 -9.985 8.935 18.002
345 HA3 GLY 43 1HA GLY 43 -9.802 8.947 16.248
Start of MODEL 14
1 H1 GLY 1 H GLY 1 20.673 7.559 -10.608
2 HA2 GLY 1 1HA GLY 1 19.410 5.445 -12.019
3 HA3 GLY 1 2HA GLY 1 18.974 5.287 -10.326
4 H HIS 2 H HIS 2 18.061 7.219 -9.276
5 HA HIS 2 HA HIS 2 16.416 8.708 -9.019
6 HB2 HIS 2 2HB HIS 2 17.475 9.785 -11.655
7 HB3 HIS 2 1HB HIS 2 16.216 10.598 -10.738
8 HD1 HIS 2 1HD HIS 2 19.628 10.970 -11.308
9 HD2 HIS 2 2HD HIS 2 17.351 10.884 -7.825
10 HE1 HIS 2 1HE HIS 2 21.000 12.134 -9.562
11 HE2 HIS 2 2HE HIS 2 19.571 12.160 -7.503
12 H MET 3 H MET 3 15.271 6.535 -9.407
13 HA MET 3 HA MET 3 13.465 6.408 -11.663
14 HB2 MET 3 2HB MET 3 13.584 4.864 -9.033
15 HB3 MET 3 1HB MET 3 12.376 4.550 -10.275
16 HG2 MET 3 2HG MET 3 14.193 2.921 -10.400
17 HG3 MET 3 1HG MET 3 14.156 3.916 -11.857
18 HE1 MET 3 3HE MET 3 17.991 3.228 -11.497
19 HE2 MET 3 1HE MET 3 16.589 3.151 -12.565
20 HE3 MET 3 2HE MET 3 16.686 2.093 -11.153
21 HA PRO 4 HA PRO 4 10.295 9.218 -10.056
22 HB2 PRO 4 2HB PRO 4 8.387 7.357 -11.477
23 HB3 PRO 4 1HB PRO 4 8.563 9.120 -11.625
24 HG2 PRO 4 2HG PRO 4 9.484 7.569 -13.562
25 HG3 PRO 4 1HG PRO 4 10.450 8.962 -13.013
26 HD2 PRO 4 2HD PRO 4 10.815 6.041 -12.327
27 HD3 PRO 4 1HD PRO 4 12.041 7.256 -12.762
28 H LYS 5 H LYS 5 9.775 9.117 -7.952
29 HA LYS 5 HA LYS 5 8.821 6.621 -6.706
30 HB2 LYS 5 2HB LYS 5 9.579 9.249 -5.354
31 HB3 LYS 5 1HB LYS 5 9.328 7.686 -4.575
32 HG2 LYS 5 2HG LYS 5 11.337 6.788 -5.650
33 HG3 LYS 5 1HG LYS 5 11.567 8.297 -6.542
34 HD2 LYS 5 2HD LYS 5 11.694 7.979 -3.509
35 HD3 LYS 5 1HD LYS 5 13.082 8.157 -4.587
36 HE2 LYS 5 2HE LYS 5 12.340 10.414 -5.209
37 HE3 LYS 5 1HE LYS 5 10.894 10.237 -4.213
38 HZ1 LYS 5 3HZ LYS 5 13.698 10.288 -3.245
39 HZ2 LYS 5 1HZ LYS 5 12.341 10.016 -2.269
40 HZ3 LYS 5 2HZ LYS 5 12.539 11.503 -3.049
41 H ILE 6 H ILE 6 6.682 6.490 -7.235
42 HA ILE 6 HA ILE 6 4.843 8.760 -6.933
43 HB ILE 6 HB ILE 6 4.138 5.894 -7.726
44 HG12 ILE 6 2HG1 ILE 6 5.911 6.710 -9.276
45 HG13 ILE 6 1HG1 ILE 6 4.375 6.509 -10.107
46 HG21 ILE 6 1HG2 ILE 6 2.189 6.933 -8.853
47 HG22 ILE 6 2HG2 ILE 6 2.703 8.520 -8.272
48 HG23 ILE 6 3HG2 ILE 6 2.208 7.277 -7.120
49 HD11 ILE 6 3HD1 ILE 6 4.042 8.934 -10.064
50 HD12 ILE 6 1HD1 ILE 6 5.562 8.487 -10.839
51 HD13 ILE 6 2HD1 ILE 6 5.570 9.125 -9.198
52 H ASN 7 H ASN 7 3.874 9.101 -4.974
53 HA ASN 7 HA ASN 7 3.100 8.945 -2.890
54 HB2 ASN 7 2HB ASN 7 2.659 6.028 -3.607
55 HB3 ASN 7 1HB ASN 7 2.159 6.728 -2.080
56 HD21 ASN 7 1HD2 ASN 7 -0.025 6.342 -2.444
57 HD22 ASN 7 2HD2 ASN 7 -0.942 7.201 -3.631
58 H GLU 8 H GLU 8 3.462 7.973 -0.675
59 HA GLU 8 HA GLU 8 6.323 7.733 -0.203
60 HB2 GLU 8 2HB GLU 8 4.706 9.196 1.117
61 HB3 GLU 8 1HB GLU 8 4.036 7.732 1.816
62 HG2 GLU 8 2HG GLU 8 6.962 8.486 2.113
63 HG3 GLU 8 1HG GLU 8 5.730 9.093 3.210
64 H ASP 9 H ASP 9 3.544 5.640 -0.261
65 HA ASP 9 HA ASP 9 3.144 3.453 -0.077
66 HB2 ASP 9 2HB ASP 9 6.118 3.271 -0.535
67 HB3 ASP 9 1HB ASP 9 5.051 1.877 -0.551
68 H TRP 10 H TRP 10 4.069 1.261 1.081
69 HA TRP 10 HA TRP 10 5.010 1.778 3.780
70 HB2 TRP 10 2HB TRP 10 3.092 0.613 4.874
71 HB3 TRP 10 1HB TRP 10 2.648 2.143 4.138
72 HD1 TRP 10 HD TRP 10 1.143 2.005 1.860
73 HE1 TRP 10 1HE TRP 10 -0.605 0.270 1.132
74 HE3 TRP 10 3HE TRP 10 2.533 -1.862 4.892
75 HZ2 TRP 10 2HZ TRP 10 -1.324 -2.369 1.770
76 HZ3 TRP 10 3HZ TRP 10 1.253 -3.960 4.781
77 HH2 TRP 10 HH TRP 10 -0.636 -4.209 3.253
78 H LEU 11 H LEU 11 5.138 -0.279 5.046
79 HA LEU 11 HA LEU 11 6.059 -2.546 3.378
80 HB2 LEU 11 2HB LEU 11 7.775 -0.871 4.636
81 HB3 LEU 11 1HB LEU 11 7.370 -1.851 6.022
82 HG LEU 11 HG LEU 11 9.464 -2.616 5.094
83 HD11 LEU 11 1HD1 LEU 11 8.060 -4.394 5.979
84 HD12 LEU 11 2HD1 LEU 11 9.072 -4.971 4.658
85 HD13 LEU 11 3HD1 LEU 11 7.355 -4.660 4.380
86 HD21 LEU 11 3HD2 LEU 11 9.750 -3.403 2.806
87 HD22 LEU 11 1HD2 LEU 11 9.236 -1.717 2.838
88 HD23 LEU 11 2HD2 LEU 11 8.077 -2.985 2.430
89 H CYS 12 H CYS 12 5.082 -4.433 3.974
90 HA CYS 12 HA CYS 12 3.002 -4.653 5.845
91 HB2 CYS 12 2HB CYS 12 4.634 -6.774 4.412
92 HB3 CYS 12 1HB CYS 12 3.178 -7.127 5.328
93 H ASN 13 H ASN 13 2.827 -5.894 7.766
94 HA ASN 13 HA ASN 13 5.320 -6.251 9.311
95 HB2 ASN 13 2HB ASN 13 3.851 -6.236 11.336
96 HB3 ASN 13 1HB ASN 13 3.784 -4.751 10.398
97 HD21 ASN 13 1HD2 ASN 13 1.812 -4.189 11.382
98 HD22 ASN 13 2HD2 ASN 13 0.323 -4.951 10.949
99 H LYS 14 H LYS 14 2.554 -7.953 8.012
100 HA LYS 14 HA LYS 14 3.022 -10.422 9.463
101 HB2 LYS 14 2HB LYS 14 1.142 -9.670 7.203
102 HB3 LYS 14 1HB LYS 14 1.262 -11.318 7.815
103 HG2 LYS 14 2HG LYS 14 0.503 -10.584 10.025
104 HG3 LYS 14 1HG LYS 14 0.457 -8.904 9.482
105 HD2 LYS 14 2HD LYS 14 -1.814 -9.932 9.493
106 HD3 LYS 14 1HD LYS 14 -1.325 -9.432 7.875
107 HE2 LYS 14 2HE LYS 14 -0.685 -11.816 7.392
108 HE3 LYS 14 1HE LYS 14 -1.321 -12.265 8.976
109 HZ1 LYS 14 3HZ LYS 14 -2.972 -12.680 7.330
110 HZ2 LYS 14 1HZ LYS 14 -2.844 -11.112 6.705
111 HZ3 LYS 14 2HZ LYS 14 -3.484 -11.357 8.249
112 H CYS 15 H CYS 15 2.855 -9.983 5.835
113 HA CYS 15 HA CYS 15 4.694 -12.127 5.373
114 HB2 CYS 15 2HB CYS 15 4.552 -11.436 3.017
115 HB3 CYS 15 1HB CYS 15 2.957 -11.495 3.762
116 H GLY 16 H GLY 16 5.002 -8.621 5.585
117 HA2 GLY 16 2HA GLY 16 6.839 -7.303 6.002
118 HA3 GLY 16 1HA GLY 16 7.857 -8.739 5.995
119 H VAL 17 H VAL 17 5.720 -7.815 3.331
120 HA VAL 17 HA VAL 17 8.059 -7.357 1.573
121 HB VAL 17 HB VAL 17 6.720 -7.860 -0.325
122 HG11 VAL 17 1HG1 VAL 17 5.814 -10.102 0.130
123 HG12 VAL 17 2HG1 VAL 17 5.842 -9.767 1.867
124 HG13 VAL 17 3HG1 VAL 17 7.357 -9.848 0.956
125 HG21 VAL 17 3HG2 VAL 17 4.255 -8.181 -0.290
126 HG22 VAL 17 1HG2 VAL 17 4.711 -6.541 0.180
127 HG23 VAL 17 2HG2 VAL 17 4.220 -7.706 1.411
128 H GLN 18 H GLN 18 7.682 -5.661 -0.185
129 HA GLN 18 HA GLN 18 6.741 -3.165 1.009
130 HB2 GLN 18 2HB GLN 18 8.976 -3.385 -0.183
131 HB3 GLN 18 1HB GLN 18 8.102 -3.592 -1.691
132 HG2 GLN 18 2HG GLN 18 7.803 -1.119 0.052
133 HG3 GLN 18 1HG GLN 18 9.056 -1.267 -1.183
134 HE21 GLN 18 1HE2 GLN 18 6.739 0.576 -0.905
135 HE22 GLN 18 2HE2 GLN 18 5.881 0.457 -2.398
136 H ASN 19 H ASN 19 4.785 -2.346 0.583
137 HA ASN 19 HA ASN 19 3.354 -3.060 -1.914
138 HB2 ASN 19 2HB ASN 19 2.272 -2.707 0.904
139 HB3 ASN 19 1HB ASN 19 1.236 -2.428 -0.487
140 HD21 ASN 19 1HD2 ASN 19 3.069 -4.834 1.260
141 HD22 ASN 19 2HD2 ASN 19 2.253 -6.194 0.583
142 H PHE 20 H PHE 20 2.448 -1.427 -3.059
143 HA PHE 20 HA PHE 20 3.245 1.264 -2.764
144 HB2 PHE 20 2HB PHE 20 2.503 0.069 -4.902
145 HB3 PHE 20 1HB PHE 20 0.844 0.215 -4.342
146 HD1 PHE 20 2HD PHE 20 3.781 2.038 -5.639
147 HD2 PHE 20 1HD PHE 20 -0.305 2.394 -4.413
148 HE1 PHE 20 2HE PHE 20 3.651 4.269 -6.653
149 HE2 PHE 20 1HE PHE 20 -0.410 4.617 -5.444
150 HZ PHE 20 HZ PHE 20 1.559 5.554 -6.551
151 H LYS 21 H LYS 21 1.826 3.148 -2.176
152 HA LYS 21 HA LYS 21 0.669 2.641 0.348
153 HB2 LYS 21 2HB LYS 21 1.834 4.816 -0.681
154 HB3 LYS 21 1HB LYS 21 0.163 5.302 -0.940
155 HG2 LYS 21 2HG LYS 21 -0.316 5.157 1.432
156 HG3 LYS 21 1HG LYS 21 1.244 4.389 1.747
157 HD2 LYS 21 2HD LYS 21 2.347 6.530 0.932
158 HD3 LYS 21 1HD LYS 21 0.742 7.272 0.913
159 HE2 LYS 21 2HE LYS 21 1.907 7.835 2.990
160 HE3 LYS 21 1HE LYS 21 0.527 6.793 3.346
161 HZ1 LYS 21 3HZ LYS 21 3.311 5.800 3.055
162 HZ2 LYS 21 1HZ LYS 21 1.967 4.933 3.605
163 HZ3 LYS 21 2HZ LYS 21 2.601 6.192 4.537
164 H ARG 22 H ARG 22 -0.765 2.738 -2.768
165 HA ARG 22 HA ARG 22 -3.457 3.284 -1.796
166 HB2 ARG 22 2HB ARG 22 -2.391 2.744 -4.595
167 HB3 ARG 22 1HB ARG 22 -4.079 3.093 -4.226
168 HG2 ARG 22 2HG ARG 22 -1.739 4.968 -3.688
169 HG3 ARG 22 1HG ARG 22 -2.847 5.084 -5.055
170 HD2 ARG 22 2HD ARG 22 -4.732 5.420 -3.453
171 HD3 ARG 22 1HD ARG 22 -3.576 5.392 -2.121
172 HE ARG 22 HE ARG 22 -2.937 7.531 -2.631
173 HH11 ARG 22 1HH1 ARG 22 -4.896 6.349 -5.315
174 HH12 ARG 22 2HH1 ARG 22 -5.006 7.904 -6.065
175 HH21 ARG 22 1HH2 ARG 22 -3.122 9.554 -3.624
176 HH22 ARG 22 2HH2 ARG 22 -4.003 9.719 -5.111
177 H ARG 23 H ARG 23 -1.430 0.537 -2.136
178 HA ARG 23 HA ARG 23 -3.486 -1.451 -2.027
179 HB2 ARG 23 2HB ARG 23 -0.641 -1.359 -0.951
180 HB3 ARG 23 1HB ARG 23 -1.715 -2.635 -0.423
181 HG2 ARG 23 2HG ARG 23 -0.366 -3.525 -2.158
182 HG3 ARG 23 1HG ARG 23 -1.987 -3.321 -2.808
183 HD2 ARG 23 2HD ARG 23 -1.320 -1.393 -4.083
184 HD3 ARG 23 1HD ARG 23 0.251 -1.344 -3.268
185 HE ARG 23 HE ARG 23 0.436 -3.731 -4.332
186 HH11 ARG 23 1HH1 ARG 23 -0.899 -0.883 -5.924
187 HH12 ARG 23 2HH1 ARG 23 -0.454 -1.425 -7.506
188 HH21 ARG 23 1HH2 ARG 23 1.014 -4.406 -6.397
189 HH22 ARG 23 2HH2 ARG 23 0.634 -3.423 -7.777
190 H GLU 24 H GLU 24 -5.170 -0.768 -0.806
191 HA GLU 24 HA GLU 24 -5.068 0.490 1.733
192 HB2 GLU 24 2HB GLU 24 -7.035 0.496 0.184
193 HB3 GLU 24 1HB GLU 24 -7.277 -1.219 0.509
194 HG2 GLU 24 2HG GLU 24 -7.742 -0.706 2.884
195 HG3 GLU 24 1HG GLU 24 -7.484 1.011 2.563
196 H LYS 25 H LYS 25 -5.209 -2.852 0.662
197 HA LYS 25 HA LYS 25 -4.138 -3.796 3.265
198 HB2 LYS 25 2HB LYS 25 -5.977 -5.321 1.344
199 HB3 LYS 25 1HB LYS 25 -5.253 -5.985 2.809
200 HG2 LYS 25 2HG LYS 25 -6.609 -4.567 4.218
201 HG3 LYS 25 1HG LYS 25 -7.191 -3.641 2.831
202 HD2 LYS 25 2HD LYS 25 -8.908 -5.237 3.630
203 HD3 LYS 25 1HD LYS 25 -8.397 -5.607 1.982
204 HE2 LYS 25 2HE LYS 25 -6.876 -7.382 2.919
205 HE3 LYS 25 1HE LYS 25 -7.549 -7.053 4.517
206 HZ1 LYS 25 3HZ LYS 25 -9.095 -7.981 2.158
207 HZ2 LYS 25 1HZ LYS 25 -9.718 -7.709 3.702
208 HZ3 LYS 25 2HZ LYS 25 -8.603 -8.952 3.448
209 H CYS 26 H CYS 26 -2.535 -5.587 2.948
210 HA CYS 26 HA CYS 26 -0.758 -5.317 0.788
211 HB2 CYS 26 2HB CYS 26 0.008 -6.327 2.862
212 HB3 CYS 26 1HB CYS 26 -1.142 -7.660 2.703
213 H PHE 27 H PHE 27 -0.504 -6.408 -1.132
214 HA PHE 27 HA PHE 27 -2.896 -6.978 -2.476
215 HB2 PHE 27 2HB PHE 27 -1.579 -7.225 -4.462
216 HB3 PHE 27 1HB PHE 27 -0.791 -6.010 -3.479
217 HD1 PHE 27 1HD PHE 27 1.309 -6.661 -2.140
218 HD2 PHE 27 2HD PHE 27 -0.374 -9.154 -5.195
219 HE1 PHE 27 1HE PHE 27 3.440 -7.857 -2.358
220 HE2 PHE 27 2HE PHE 27 1.763 -10.337 -5.391
221 HZ PHE 27 HZ PHE 27 3.668 -9.691 -3.979
222 H LYS 28 H LYS 28 -0.905 -9.142 -0.682
223 HA LYS 28 HA LYS 28 -2.491 -11.439 -1.625
224 HB2 LYS 28 2HB LYS 28 -0.450 -12.866 -1.687
225 HB3 LYS 28 1HB LYS 28 -0.432 -11.585 -2.878
226 HG2 LYS 28 2HG LYS 28 1.757 -11.500 -2.134
227 HG3 LYS 28 1HG LYS 28 1.018 -10.283 -1.094
228 HD2 LYS 28 2HD LYS 28 0.859 -12.000 0.715
229 HD3 LYS 28 1HD LYS 28 1.626 -13.186 -0.347
230 HE2 LYS 28 2HE LYS 28 3.192 -12.170 1.268
231 HE3 LYS 28 1HE LYS 28 3.654 -11.864 -0.406
232 HZ1 LYS 28 3HZ LYS 28 2.822 -9.650 -0.253
233 HZ2 LYS 28 1HZ LYS 28 3.834 -9.914 1.071
234 HZ3 LYS 28 2HZ LYS 28 2.161 -9.923 1.281
235 H CYS 29 H CYS 29 -0.468 -10.051 0.974
236 HA CYS 29 HA CYS 29 -0.987 -12.199 2.824
237 HB2 CYS 29 2HB CYS 29 1.153 -11.093 2.784
238 HB3 CYS 29 1HB CYS 29 0.412 -9.523 2.992
239 H GLY 30 H GLY 30 -2.345 -9.066 2.084
240 HA2 GLY 30 2HA GLY 30 -4.413 -8.246 2.514
241 HA3 GLY 30 1HA GLY 30 -4.781 -9.710 3.407
242 H VAL 31 H VAL 31 -1.973 -8.063 4.599
243 HA VAL 31 HA VAL 31 -3.283 -7.262 6.998
244 HB VAL 31 HB VAL 31 -0.931 -7.786 7.205
245 HG11 VAL 31 1HG1 VAL 31 -0.291 -5.483 5.334
246 HG12 VAL 31 2HG1 VAL 31 -0.125 -7.201 4.963
247 HG13 VAL 31 3HG1 VAL 31 0.890 -6.469 6.208
248 HG21 VAL 31 3HG2 VAL 31 -0.087 -5.830 8.442
249 HG22 VAL 31 1HG2 VAL 31 -1.805 -6.077 8.766
250 HG23 VAL 31 2HG2 VAL 31 -1.291 -4.797 7.664
251 HA PRO 32 HA PRO 32 -4.962 -3.412 5.329
252 HB2 PRO 32 2HB PRO 32 -6.037 -2.441 7.679
253 HB3 PRO 32 1HB PRO 32 -6.808 -3.746 6.747
254 HG2 PRO 32 2HG PRO 32 -5.002 -3.969 9.153
255 HG3 PRO 32 1HG PRO 32 -6.550 -4.787 8.836
256 HD2 PRO 32 2HD PRO 32 -4.218 -6.054 8.408
257 HD3 PRO 32 1HD PRO 32 -5.606 -6.306 7.322
258 H LYS 33 H LYS 33 -4.271 -1.292 5.277
259 HA LYS 33 HA LYS 33 -1.748 -0.554 6.279
260 HB2 LYS 33 2HB LYS 33 -2.956 0.387 4.216
261 HB3 LYS 33 1HB LYS 33 -3.906 1.372 5.323
262 HG2 LYS 33 2HG LYS 33 -1.569 2.213 6.189
263 HG3 LYS 33 1HG LYS 33 -0.953 1.540 4.680
264 HD2 LYS 33 2HD LYS 33 -1.327 3.857 4.276
265 HD3 LYS 33 1HD LYS 33 -2.638 3.004 3.462
266 HE2 LYS 33 2HE LYS 33 -2.944 4.191 6.238
267 HE3 LYS 33 1HE LYS 33 -3.276 5.114 4.776
268 HZ1 LYS 33 3HZ LYS 33 -4.655 2.626 5.625
269 HZ2 LYS 33 1HZ LYS 33 -4.946 3.462 4.185
270 HZ3 LYS 33 2HZ LYS 33 -5.284 4.192 5.668
271 H SER 34 H SER 34 -4.941 -0.399 7.640
272 HA SER 34 HA SER 34 -4.738 1.537 9.630
273 HB2 SER 34 2HB SER 34 -6.822 0.325 8.959
274 HB3 SER 34 1HB SER 34 -6.224 -1.118 9.787
275 HG SER 34 HG SER 34 -6.326 0.009 11.736
276 H GLU 35 H GLU 35 -3.586 -1.807 9.556
277 HA GLU 35 HA GLU 35 -2.454 -1.620 12.283
278 HB2 GLU 35 2HB GLU 35 -2.929 -4.029 10.463
279 HB3 GLU 35 1HB GLU 35 -2.171 -4.115 12.057
280 HG2 GLU 35 2HG GLU 35 -4.220 -3.317 13.124
281 HG3 GLU 35 1HG GLU 35 -4.984 -3.085 11.553
282 H ALA 36 H ALA 36 -1.536 -1.181 9.086
283 HA ALA 36 HA ALA 36 1.299 -1.862 9.490
284 HB1 ALA 36 1HB ALA 36 -0.108 -0.758 7.030
285 HB2 ALA 36 2HB ALA 36 0.244 -2.462 7.328
286 HB3 ALA 36 3HB ALA 36 1.567 -1.313 7.113
287 H GLU 37 H GLU 37 2.808 -0.121 8.528
288 HA GLU 37 HA GLU 37 3.990 1.726 8.841
289 HB2 GLU 37 2HB GLU 37 1.290 3.113 8.840
290 HB3 GLU 37 1HB GLU 37 2.838 3.959 8.785
291 HG2 GLU 37 2HG GLU 37 3.339 2.668 6.649
292 HG3 GLU 37 1HG GLU 37 1.665 2.112 6.673
293 H GLN 38 H GLN 38 5.072 2.602 10.519
294 HA GLN 38 HA GLN 38 4.128 2.388 13.229
295 HB2 GLN 38 2HB GLN 38 6.538 2.165 12.648
296 HB3 GLN 38 1HB GLN 38 6.570 3.837 12.095
297 HG2 GLN 38 2HG GLN 38 6.033 4.572 14.433
298 HG3 GLN 38 1HG GLN 38 6.103 2.885 14.945
299 HE21 GLN 38 1HE2 GLN 38 8.137 1.843 15.052
300 HE22 GLN 38 2HE2 GLN 38 9.620 2.729 15.025
301 H LYS 39 H LYS 39 2.311 3.604 13.487
302 HA LYS 39 HA LYS 39 0.868 5.316 13.729
303 HB2 LYS 39 2HB LYS 39 2.635 6.547 14.930
304 HB3 LYS 39 1HB LYS 39 3.309 7.117 13.407
305 HG2 LYS 39 2HG LYS 39 1.101 8.317 13.006
306 HG3 LYS 39 1HG LYS 39 0.661 7.901 14.665
307 HD2 LYS 39 2HD LYS 39 2.653 9.170 15.489
308 HD3 LYS 39 1HD LYS 39 3.066 9.582 13.821
309 HE2 LYS 39 2HE LYS 39 0.851 10.765 13.643
310 HE3 LYS 39 1HE LYS 39 0.604 10.458 15.367
311 HZ1 LYS 39 3HZ LYS 39 1.498 12.644 15.031
312 HZ2 LYS 39 1HZ LYS 39 2.811 12.032 14.157
313 HZ3 LYS 39 2HZ LYS 39 2.654 11.688 15.801
314 H LEU 40 H LEU 40 -0.614 5.622 12.157
315 HA LEU 40 HA LEU 40 0.039 5.768 9.371
316 HB2 LEU 40 2HB LEU 40 -2.570 6.013 10.896
317 HB3 LEU 40 1HB LEU 40 -2.502 6.242 9.157
318 HG LEU 40 HG LEU 40 -1.513 3.876 9.003
319 HD11 LEU 40 1HD1 LEU 40 -0.837 3.551 11.322
320 HD12 LEU 40 2HD1 LEU 40 -1.994 2.316 10.831
321 HD13 LEU 40 3HD1 LEU 40 -2.521 3.657 11.852
322 HD21 LEU 40 3HD2 LEU 40 -4.356 4.181 9.996
323 HD22 LEU 40 1HD2 LEU 40 -3.716 2.834 9.052
324 HD23 LEU 40 2HD2 LEU 40 -3.799 4.442 8.340
325 HA PRO 41 HA PRO 41 -0.120 10.283 8.623
326 HB2 PRO 41 2HB PRO 41 -1.519 10.347 6.206
327 HB3 PRO 41 1HB PRO 41 0.217 9.982 6.334
328 HG2 PRO 41 2HG PRO 41 -2.095 8.069 6.085
329 HG3 PRO 41 1HG PRO 41 -0.515 8.028 5.268
330 HD2 PRO 41 2HD PRO 41 -1.029 6.446 7.393
331 HD3 PRO 41 1HD PRO 41 0.587 7.151 7.146
332 H LEU 42 H LEU 42 -1.444 11.614 9.704
333 HA LEU 42 HA LEU 42 -4.038 10.912 10.620
334 HB2 LEU 42 2HB LEU 42 -2.259 12.423 11.741
335 HB3 LEU 42 1HB LEU 42 -2.781 13.697 10.665
336 HG LEU 42 HG LEU 42 -3.686 13.889 12.989
337 HD11 LEU 42 1HD1 LEU 42 -5.982 14.446 12.467
338 HD12 LEU 42 2HD1 LEU 42 -5.895 13.533 10.959
339 HD13 LEU 42 3HD1 LEU 42 -4.905 14.978 11.176
340 HD21 LEU 42 3HD2 LEU 42 -3.900 11.515 13.506
341 HD22 LEU 42 1HD2 LEU 42 -5.236 11.364 12.361
342 HD23 LEU 42 2HD2 LEU 42 -5.412 12.367 13.804
343 H GLY 43 H GLY 43 -2.868 13.282 8.236
344 HA2 GLY 43 2HA GLY 43 -5.561 13.641 7.095
345 HA3 GLY 43 1HA GLY 43 -4.118 14.570 6.698
Start of MODEL 15
1 H1 GLY 1 H GLY 1 17.049 3.266 -10.692
2 HA2 GLY 1 1HA GLY 1 18.402 2.159 -8.446
3 HA3 GLY 1 2HA GLY 1 18.901 3.840 -8.621
4 H HIS 2 H HIS 2 17.850 3.929 -6.463
5 HA HIS 2 HA HIS 2 15.026 4.766 -6.740
6 HB2 HIS 2 2HB HIS 2 16.146 3.152 -4.390
7 HB3 HIS 2 1HB HIS 2 14.534 3.850 -4.457
8 HD1 HIS 2 1HD HIS 2 12.751 2.610 -5.889
9 HD2 HIS 2 2HD HIS 2 16.482 0.766 -5.912
10 HE1 HIS 2 1HE HIS 2 12.381 0.325 -6.867
11 HE2 HIS 2 2HE HIS 2 14.662 -0.744 -6.926
12 H MET 3 H MET 3 14.705 6.795 -5.924
13 HA MET 3 HA MET 3 16.717 8.311 -4.541
14 HB2 MET 3 2HB MET 3 13.724 8.855 -4.886
15 HB3 MET 3 1HB MET 3 14.883 10.021 -4.266
16 HG2 MET 3 2HG MET 3 16.055 10.001 -6.434
17 HG3 MET 3 1HG MET 3 14.862 8.858 -7.063
18 HE1 MET 3 3HE MET 3 13.911 12.222 -8.898
19 HE2 MET 3 1HE MET 3 14.354 10.530 -9.118
20 HE3 MET 3 2HE MET 3 15.539 11.683 -8.494
21 HA PRO 4 HA PRO 4 16.270 7.201 -0.183
22 HB2 PRO 4 2HB PRO 4 15.575 9.764 0.922
23 HB3 PRO 4 1HB PRO 4 17.203 9.072 0.768
24 HG2 PRO 4 2HG PRO 4 15.777 10.967 -1.052
25 HG3 PRO 4 1HG PRO 4 17.498 10.908 -0.614
26 HD2 PRO 4 2HD PRO 4 16.732 10.048 -3.008
27 HD3 PRO 4 1HD PRO 4 17.946 9.113 -2.103
28 H LYS 5 H LYS 5 13.712 9.408 -1.330
29 HA LYS 5 HA LYS 5 11.724 7.362 -0.786
30 HB2 LYS 5 2HB LYS 5 11.710 8.719 1.323
31 HB3 LYS 5 1HB LYS 5 11.376 10.163 0.377
32 HG2 LYS 5 2HG LYS 5 9.241 9.000 -0.421
33 HG3 LYS 5 1HG LYS 5 9.560 7.757 0.788
34 HD2 LYS 5 2HD LYS 5 7.956 9.347 1.681
35 HD3 LYS 5 1HD LYS 5 9.475 9.518 2.563
36 HE2 LYS 5 2HE LYS 5 10.025 11.524 1.261
37 HE3 LYS 5 1HE LYS 5 8.565 11.311 0.290
38 HZ1 LYS 5 3HZ LYS 5 8.613 11.822 3.219
39 HZ2 LYS 5 1HZ LYS 5 7.227 11.647 2.261
40 HZ3 LYS 5 2HZ LYS 5 8.260 12.966 2.028
41 H ILE 6 H ILE 6 11.509 7.239 -3.005
42 HA ILE 6 HA ILE 6 10.175 9.515 -4.365
43 HB ILE 6 HB ILE 6 12.133 8.579 -5.577
44 HG12 ILE 6 2HG1 ILE 6 9.510 7.996 -7.033
45 HG13 ILE 6 1HG1 ILE 6 10.258 9.578 -6.873
46 HG21 ILE 6 1HG2 ILE 6 12.124 6.318 -6.538
47 HG22 ILE 6 2HG2 ILE 6 10.605 5.962 -5.711
48 HG23 ILE 6 3HG2 ILE 6 12.071 6.269 -4.775
49 HD11 ILE 6 3HD1 ILE 6 11.394 7.222 -8.378
50 HD12 ILE 6 1HD1 ILE 6 12.176 8.794 -8.183
51 HD13 ILE 6 2HD1 ILE 6 10.657 8.669 -9.067
52 H ASN 7 H ASN 7 9.601 6.582 -2.760
53 HA ASN 7 HA ASN 7 6.888 6.313 -3.935
54 HB2 ASN 7 2HB ASN 7 6.935 3.957 -3.337
55 HB3 ASN 7 1HB ASN 7 8.389 4.317 -4.252
56 HD21 ASN 7 1HD2 ASN 7 7.109 3.266 -1.225
57 HD22 ASN 7 2HD2 ASN 7 8.622 2.895 -0.480
58 H GLU 8 H GLU 8 5.177 6.649 -2.586
59 HA GLU 8 HA GLU 8 5.781 7.538 0.176
60 HB2 GLU 8 2HB GLU 8 4.687 9.055 -1.667
61 HB3 GLU 8 1HB GLU 8 3.220 8.143 -1.349
62 HG2 GLU 8 2HG GLU 8 3.173 10.224 -0.100
63 HG3 GLU 8 1HG GLU 8 3.292 8.867 1.022
64 H ASP 9 H ASP 9 5.080 4.756 -1.012
65 HA ASP 9 HA ASP 9 2.654 3.814 -0.008
66 HB2 ASP 9 2HB ASP 9 5.135 2.091 -0.346
67 HB3 ASP 9 1HB ASP 9 3.454 1.643 -0.623
68 H TRP 10 H TRP 10 2.639 1.888 1.532
69 HA TRP 10 HA TRP 10 4.123 2.457 4.029
70 HB2 TRP 10 2HB TRP 10 2.262 1.169 5.147
71 HB3 TRP 10 1HB TRP 10 1.764 2.690 4.412
72 HD1 TRP 10 HD TRP 10 0.137 2.538 2.238
73 HE1 TRP 10 1HE TRP 10 -1.433 0.662 1.442
74 HE3 TRP 10 3HE TRP 10 2.107 -1.365 4.884
75 HZ2 TRP 10 2HZ TRP 10 -1.791 -2.092 1.875
76 HZ3 TRP 10 3HZ TRP 10 1.095 -3.592 4.630
77 HH2 TRP 10 HH TRP 10 -0.813 -3.949 3.152
78 H LEU 11 H LEU 11 4.758 0.640 5.259
79 HA LEU 11 HA LEU 11 5.591 -1.717 3.671
80 HB2 LEU 11 2HB LEU 11 7.276 0.079 4.701
81 HB3 LEU 11 1HB LEU 11 6.958 -0.733 6.214
82 HG LEU 11 HG LEU 11 9.096 -1.417 5.089
83 HD11 LEU 11 1HD1 LEU 11 8.901 -3.823 5.409
84 HD12 LEU 11 2HD1 LEU 11 7.139 -3.692 5.428
85 HD13 LEU 11 3HD1 LEU 11 8.098 -2.933 6.702
86 HD21 LEU 11 3HD2 LEU 11 7.306 -2.656 2.982
87 HD22 LEU 11 1HD2 LEU 11 9.059 -2.841 3.098
88 HD23 LEU 11 2HD2 LEU 11 8.359 -1.258 2.759
89 H CYS 12 H CYS 12 5.003 -3.740 4.529
90 HA CYS 12 HA CYS 12 2.928 -3.774 6.541
91 HB2 CYS 12 2HB CYS 12 2.723 -5.269 4.619
92 HB3 CYS 12 1HB CYS 12 4.266 -6.023 4.981
93 H ASN 13 H ASN 13 3.010 -5.521 8.260
94 HA ASN 13 HA ASN 13 5.654 -5.719 9.600
95 HB2 ASN 13 2HB ASN 13 4.408 -5.775 11.766
96 HB3 ASN 13 1HB ASN 13 4.151 -4.267 10.896
97 HD21 ASN 13 1HD2 ASN 13 2.159 -3.979 9.795
98 HD22 ASN 13 2HD2 ASN 13 0.726 -4.798 10.301
99 H LYS 14 H LYS 14 2.705 -7.350 8.569
100 HA LYS 14 HA LYS 14 3.293 -9.889 9.788
101 HB2 LYS 14 2HB LYS 14 1.391 -9.283 7.480
102 HB3 LYS 14 1HB LYS 14 1.444 -10.773 8.416
103 HG2 LYS 14 2HG LYS 14 0.989 -9.105 10.445
104 HG3 LYS 14 1HG LYS 14 0.343 -8.080 9.166
105 HD2 LYS 14 2HD LYS 14 -0.610 -10.862 9.971
106 HD3 LYS 14 1HD LYS 14 -1.460 -9.337 10.193
107 HE2 LYS 14 2HE LYS 14 -2.577 -10.185 8.352
108 HE3 LYS 14 1HE LYS 14 -1.339 -9.233 7.548
109 HZ1 LYS 14 3HZ LYS 14 -1.504 -11.339 6.497
110 HZ2 LYS 14 1HZ LYS 14 -1.343 -12.165 7.962
111 HZ3 LYS 14 2HZ LYS 14 -0.034 -11.308 7.332
112 H CYS 15 H CYS 15 3.120 -9.020 6.216
113 HA CYS 15 HA CYS 15 5.081 -11.078 5.603
114 HB2 CYS 15 2HB CYS 15 4.765 -10.227 3.264
115 HB3 CYS 15 1HB CYS 15 3.277 -10.736 4.049
116 H GLY 16 H GLY 16 4.935 -7.560 5.736
117 HA2 GLY 16 2HA GLY 16 6.630 -6.016 6.061
118 HA3 GLY 16 1HA GLY 16 7.830 -7.292 5.901
119 H VAL 17 H VAL 17 5.276 -6.667 3.522
120 HA VAL 17 HA VAL 17 7.308 -6.118 1.464
121 HB VAL 17 HB VAL 17 5.597 -6.518 -0.223
122 HG11 VAL 17 1HG1 VAL 17 5.020 -8.865 0.240
123 HG12 VAL 17 2HG1 VAL 17 5.420 -8.632 1.945
124 HG13 VAL 17 3HG1 VAL 17 6.682 -8.502 0.716
125 HG21 VAL 17 3HG2 VAL 17 3.578 -6.736 2.044
126 HG22 VAL 17 1HG2 VAL 17 3.249 -7.103 0.346
127 HG23 VAL 17 2HG2 VAL 17 3.654 -5.457 0.833
128 H GLN 18 H GLN 18 7.239 -4.332 0.086
129 HA GLN 18 HA GLN 18 5.779 -1.942 0.912
130 HB2 GLN 18 2HB GLN 18 8.116 -1.661 0.164
131 HB3 GLN 18 1HB GLN 18 7.750 -2.444 -1.364
132 HG2 GLN 18 2HG GLN 18 6.169 -0.538 -1.836
133 HG3 GLN 18 1HG GLN 18 6.809 0.273 -0.410
134 HE21 GLN 18 1HE2 GLN 18 6.933 1.072 -3.260
135 HE22 GLN 18 2HE2 GLN 18 8.611 1.268 -3.605
136 H ASN 19 H ASN 19 3.700 -1.857 0.283
137 HA ASN 19 HA ASN 19 2.723 -3.038 -2.219
138 HB2 ASN 19 2HB ASN 19 1.316 -1.570 0.055
139 HB3 ASN 19 1HB ASN 19 0.492 -2.113 -1.400
140 HD21 ASN 19 1HD2 ASN 19 2.082 -3.169 1.542
141 HD22 ASN 19 2HD2 ASN 19 1.504 -4.795 1.480
142 H PHE 20 H PHE 20 0.821 -1.123 -3.032
143 HA PHE 20 HA PHE 20 2.639 0.943 -4.127
144 HB2 PHE 20 2HB PHE 20 1.626 -0.773 -5.711
145 HB3 PHE 20 1HB PHE 20 0.048 -0.073 -5.364
146 HD1 PHE 20 2HD PHE 20 3.473 1.230 -6.245
147 HD2 PHE 20 1HD PHE 20 -0.729 1.395 -7.057
148 HE1 PHE 20 2HE PHE 20 3.868 2.940 -7.985
149 HE2 PHE 20 1HE PHE 20 -0.320 3.111 -8.781
150 HZ PHE 20 HZ PHE 20 1.973 3.876 -9.248
151 H LYS 21 H LYS 21 1.538 1.439 -1.624
152 HA LYS 21 HA LYS 21 0.215 2.635 -0.266
153 HB2 LYS 21 2HB LYS 21 1.545 4.335 -1.662
154 HB3 LYS 21 1HB LYS 21 0.040 4.659 -2.520
155 HG2 LYS 21 2HG LYS 21 -1.013 5.318 -0.366
156 HG3 LYS 21 1HG LYS 21 0.531 5.014 0.445
157 HD2 LYS 21 2HD LYS 21 1.601 6.783 -0.900
158 HD3 LYS 21 1HD LYS 21 0.085 7.061 -1.767
159 HE2 LYS 21 2HE LYS 21 0.567 7.521 1.196
160 HE3 LYS 21 1HE LYS 21 0.429 8.771 -0.042
161 HZ1 LYS 21 3HZ LYS 21 -1.709 6.916 0.868
162 HZ2 LYS 21 1HZ LYS 21 -1.868 7.970 -0.454
163 HZ3 LYS 21 2HZ LYS 21 -1.636 8.590 1.103
164 H ARG 22 H ARG 22 -1.328 3.320 -3.383
165 HA ARG 22 HA ARG 22 -3.975 3.448 -2.908
166 HB2 ARG 22 2HB ARG 22 -2.744 1.846 -5.185
167 HB3 ARG 22 1HB ARG 22 -4.329 2.610 -5.191
168 HG2 ARG 22 2HG ARG 22 -1.653 4.053 -5.113
169 HG3 ARG 22 1HG ARG 22 -2.688 3.862 -6.534
170 HD2 ARG 22 2HD ARG 22 -3.399 5.358 -3.994
171 HD3 ARG 22 1HD ARG 22 -2.930 6.092 -5.527
172 HE ARG 22 HE ARG 22 -5.257 4.370 -5.658
173 HH11 ARG 22 1HH1 ARG 22 -4.158 7.693 -5.154
174 HH12 ARG 22 2HH1 ARG 22 -5.692 8.372 -5.577
175 HH21 ARG 22 1HH2 ARG 22 -7.251 5.311 -6.216
176 HH22 ARG 22 2HH2 ARG 22 -7.428 7.036 -6.173
177 H ARG 23 H ARG 23 -2.074 0.452 -2.964
178 HA ARG 23 HA ARG 23 -4.198 -1.378 -2.452
179 HB2 ARG 23 2HB ARG 23 -1.300 -1.631 -1.580
180 HB3 ARG 23 1HB ARG 23 -2.476 -2.940 -1.742
181 HG2 ARG 23 2HG ARG 23 -2.570 -2.391 -4.207
182 HG3 ARG 23 1HG ARG 23 -1.212 -1.294 -3.950
183 HD2 ARG 23 2HD ARG 23 0.071 -3.233 -3.027
184 HD3 ARG 23 1HD ARG 23 -1.276 -4.280 -3.483
185 HE ARG 23 HE ARG 23 -0.691 -3.028 -5.806
186 HH11 ARG 23 1HH1 ARG 23 1.360 -4.795 -3.551
187 HH12 ARG 23 2HH1 ARG 23 2.467 -5.309 -4.785
188 HH21 ARG 23 1HH2 ARG 23 0.786 -3.705 -7.406
189 HH22 ARG 23 2HH2 ARG 23 2.146 -4.696 -6.961
190 H GLU 24 H GLU 24 -5.535 -0.828 -0.737
191 HA GLU 24 HA GLU 24 -4.721 0.499 1.647
192 HB2 GLU 24 2HB GLU 24 -7.095 0.355 0.626
193 HB3 GLU 24 1HB GLU 24 -7.214 -1.243 1.340
194 HG2 GLU 24 2HG GLU 24 -6.749 1.298 2.940
195 HG3 GLU 24 1HG GLU 24 -8.347 0.633 2.621
196 H LYS 25 H LYS 25 -5.453 -2.888 0.919
197 HA LYS 25 HA LYS 25 -4.038 -3.833 3.325
198 HB2 LYS 25 2HB LYS 25 -5.671 -5.367 1.261
199 HB3 LYS 25 1HB LYS 25 -4.944 -6.066 2.708
200 HG2 LYS 25 2HG LYS 25 -6.426 -4.767 4.132
201 HG3 LYS 25 1HG LYS 25 -7.102 -3.929 2.728
202 HD2 LYS 25 2HD LYS 25 -7.331 -6.909 3.335
203 HD3 LYS 25 1HD LYS 25 -8.618 -5.711 3.494
204 HE2 LYS 25 2HE LYS 25 -8.570 -5.324 1.057
205 HE3 LYS 25 1HE LYS 25 -7.259 -6.493 0.887
206 HZ1 LYS 25 3HZ LYS 25 -8.728 -8.220 1.679
207 HZ2 LYS 25 1HZ LYS 25 -9.400 -7.450 0.332
208 HZ3 LYS 25 2HZ LYS 25 -9.985 -7.109 1.881
209 H CYS 26 H CYS 26 -2.481 -5.608 3.052
210 HA CYS 26 HA CYS 26 -0.578 -5.375 0.994
211 HB2 CYS 26 2HB CYS 26 -1.098 -7.497 3.086
212 HB3 CYS 26 1HB CYS 26 0.076 -7.804 1.809
213 H PHE 27 H PHE 27 -0.237 -6.539 -0.874
214 HA PHE 27 HA PHE 27 -2.560 -7.230 -2.344
215 HB2 PHE 27 2HB PHE 27 -1.097 -7.521 -4.245
216 HB3 PHE 27 1HB PHE 27 -0.528 -6.153 -3.316
217 HD1 PHE 27 2HD PHE 27 1.495 -6.504 -1.732
218 HD2 PHE 27 1HD PHE 27 0.426 -9.261 -4.838
219 HE1 PHE 27 2HE PHE 27 3.783 -7.411 -1.731
220 HE2 PHE 27 1HE PHE 27 2.719 -10.147 -4.824
221 HZ PHE 27 HZ PHE 27 4.396 -9.224 -3.275
222 H LYS 28 H LYS 28 -0.555 -9.152 -0.334
223 HA LYS 28 HA LYS 28 -1.813 -11.610 -1.351
224 HB2 LYS 28 2HB LYS 28 0.359 -12.816 -1.253
225 HB3 LYS 28 1HB LYS 28 0.328 -11.549 -2.459
226 HG2 LYS 28 2HG LYS 28 2.414 -11.168 -1.605
227 HG3 LYS 28 1HG LYS 28 1.491 -10.119 -0.528
228 HD2 LYS 28 2HD LYS 28 1.570 -11.791 1.244
229 HD3 LYS 28 1HD LYS 28 2.228 -13.009 0.150
230 HE2 LYS 28 2HE LYS 28 4.285 -11.594 -0.082
231 HE3 LYS 28 1HE LYS 28 3.624 -10.512 1.144
232 HZ1 LYS 28 3HZ LYS 28 3.641 -12.333 2.726
233 HZ2 LYS 28 1HZ LYS 28 5.185 -12.118 2.075
234 HZ3 LYS 28 2HZ LYS 28 4.221 -13.401 1.549
235 H CYS 29 H CYS 29 -0.149 -9.974 1.360
236 HA CYS 29 HA CYS 29 -0.655 -12.143 3.199
237 HB2 CYS 29 2HB CYS 29 1.386 -10.694 3.148
238 HB3 CYS 29 1HB CYS 29 0.392 -9.343 3.690
239 H GLY 30 H GLY 30 -2.188 -9.111 2.321
240 HA2 GLY 30 2HA GLY 30 -4.350 -8.439 2.596
241 HA3 GLY 30 1HA GLY 30 -4.678 -9.956 3.413
242 H VAL 31 H VAL 31 -2.228 -7.707 4.672
243 HA VAL 31 HA VAL 31 -3.907 -7.166 7.008
244 HB VAL 31 HB VAL 31 -1.490 -7.664 7.365
245 HG11 VAL 31 1HG1 VAL 31 0.255 -6.001 6.889
246 HG12 VAL 31 2HG1 VAL 31 -0.922 -5.008 6.024
247 HG13 VAL 31 3HG1 VAL 31 -0.491 -6.606 5.409
248 HG21 VAL 31 3HG2 VAL 31 -2.718 -6.419 9.084
249 HG22 VAL 31 1HG2 VAL 31 -2.305 -4.889 8.299
250 HG23 VAL 31 2HG2 VAL 31 -1.037 -5.886 9.021
251 HA PRO 32 HA PRO 32 -5.280 -3.163 5.234
252 HB2 PRO 32 2HB PRO 32 -6.460 -2.169 7.548
253 HB3 PRO 32 1HB PRO 32 -7.264 -3.312 6.452
254 HG2 PRO 32 2HG PRO 32 -5.791 -3.879 9.013
255 HG3 PRO 32 1HG PRO 32 -7.349 -4.526 8.449
256 HD2 PRO 32 2HD PRO 32 -5.098 -5.984 8.236
257 HD3 PRO 32 1HD PRO 32 -6.344 -6.042 6.965
258 H LYS 33 H LYS 33 -4.520 -1.056 5.332
259 HA LYS 33 HA LYS 33 -1.919 -0.611 6.219
260 HB2 LYS 33 2HB LYS 33 -3.063 0.659 4.376
261 HB3 LYS 33 1HB LYS 33 -3.962 1.560 5.600
262 HG2 LYS 33 2HG LYS 33 -1.683 2.274 6.542
263 HG3 LYS 33 1HG LYS 33 -0.974 1.582 5.083
264 HD2 LYS 33 2HD LYS 33 -1.202 3.930 4.700
265 HD3 LYS 33 1HD LYS 33 -2.445 3.132 3.734
266 HE2 LYS 33 2HE LYS 33 -4.132 3.686 5.450
267 HE3 LYS 33 1HE LYS 33 -2.884 4.448 6.436
268 HZ1 LYS 33 3HZ LYS 33 -4.180 6.050 5.142
269 HZ2 LYS 33 1HZ LYS 33 -3.641 5.332 3.707
270 HZ3 LYS 33 2HZ LYS 33 -2.538 6.087 4.739
271 H SER 34 H SER 34 -4.972 0.116 7.836
272 HA SER 34 HA SER 34 -4.067 1.808 9.901
273 HB2 SER 34 2HB SER 34 -6.469 1.400 9.333
274 HB3 SER 34 1HB SER 34 -6.335 -0.222 10.013
275 HG SER 34 HG SER 34 -6.278 0.597 12.001
276 H GLU 35 H GLU 35 -3.962 -1.650 9.487
277 HA GLU 35 HA GLU 35 -2.767 -2.097 12.153
278 HB2 GLU 35 2HB GLU 35 -4.143 -4.015 10.214
279 HB3 GLU 35 1HB GLU 35 -3.379 -4.508 11.726
280 HG2 GLU 35 2HG GLU 35 -4.959 -3.079 12.985
281 HG3 GLU 35 1HG GLU 35 -5.728 -2.607 11.468
282 H ALA 36 H ALA 36 -1.677 -1.272 9.298
283 HA ALA 36 HA ALA 36 0.534 -3.205 9.027
284 HB1 ALA 36 1HB ALA 36 1.091 -1.968 6.974
285 HB2 ALA 36 2HB ALA 36 -0.208 -0.817 7.306
286 HB3 ALA 36 3HB ALA 36 -0.592 -2.509 6.964
287 H GLU 37 H GLU 37 2.648 -1.938 8.289
288 HA GLU 37 HA GLU 37 4.376 -0.558 8.629
289 HB2 GLU 37 2HB GLU 37 2.444 1.123 8.180
290 HB3 GLU 37 1HB GLU 37 2.467 1.437 9.911
291 HG2 GLU 37 2HG GLU 37 4.683 2.335 9.797
292 HG3 GLU 37 1HG GLU 37 4.898 1.754 8.147
293 H GLN 38 H GLN 38 5.559 0.773 10.533
294 HA GLN 38 HA GLN 38 5.544 -0.802 12.951
295 HB2 GLN 38 2HB GLN 38 7.623 0.270 12.056
296 HB3 GLN 38 1HB GLN 38 6.929 1.859 12.360
297 HG2 GLN 38 2HG GLN 38 6.902 1.405 14.769
298 HG3 GLN 38 1HG GLN 38 7.515 -0.218 14.494
299 HE21 GLN 38 1HE2 GLN 38 9.694 -0.493 13.881
300 HE22 GLN 38 2HE2 GLN 38 10.862 0.762 14.105
301 H LYS 39 H LYS 39 3.833 -0.612 14.257
302 HA LYS 39 HA LYS 39 1.967 1.498 14.329
303 HB2 LYS 39 2HB LYS 39 1.561 -0.885 15.052
304 HB3 LYS 39 1HB LYS 39 2.515 -0.576 16.499
305 HG2 LYS 39 2HG LYS 39 0.843 1.196 17.144
306 HG3 LYS 39 1HG LYS 39 -0.133 0.728 15.750
307 HD2 LYS 39 2HD LYS 39 0.550 -0.980 18.173
308 HD3 LYS 39 1HD LYS 39 -1.031 -0.324 17.742
309 HE2 LYS 39 2HE LYS 39 0.509 -2.455 16.216
310 HE3 LYS 39 1HE LYS 39 -0.931 -2.704 17.201
311 HZ1 LYS 39 3HZ LYS 39 -2.175 -1.314 15.646
312 HZ2 LYS 39 1HZ LYS 39 -1.481 -2.643 14.867
313 HZ3 LYS 39 2HZ LYS 39 -0.792 -1.110 14.701
314 H LEU 40 H LEU 40 1.991 3.417 15.376
315 HA LEU 40 HA LEU 40 4.179 4.305 16.970
316 HB2 LEU 40 2HB LEU 40 1.417 5.488 16.481
317 HB3 LEU 40 1HB LEU 40 2.604 6.271 17.508
318 HG LEU 40 HG LEU 40 4.161 6.348 15.467
319 HD11 LEU 40 1HD1 LEU 40 3.166 6.198 13.237
320 HD12 LEU 40 2HD1 LEU 40 1.646 5.637 13.944
321 HD13 LEU 40 3HD1 LEU 40 3.106 4.652 14.080
322 HD21 LEU 40 3HD2 LEU 40 3.113 8.347 14.523
323 HD22 LEU 40 1HD2 LEU 40 2.980 8.335 16.279
324 HD23 LEU 40 2HD2 LEU 40 1.577 7.927 15.286
325 HA PRO 41 HA PRO 41 2.956 2.691 20.993
326 HB2 PRO 41 2HB PRO 41 4.235 5.128 22.186
327 HB3 PRO 41 1HB PRO 41 4.609 3.411 22.450
328 HG2 PRO 41 2HG PRO 41 6.261 4.935 21.019
329 HG3 PRO 41 1HG PRO 41 5.937 3.251 20.542
330 HD2 PRO 41 2HD PRO 41 4.777 5.790 19.384
331 HD3 PRO 41 1HD PRO 41 5.392 4.347 18.541
332 H LEU 42 H LEU 42 2.190 5.948 20.018
333 HA LEU 42 HA LEU 42 -0.466 5.723 21.194
334 HB2 LEU 42 2HB LEU 42 1.148 6.958 22.829
335 HB3 LEU 42 1HB LEU 42 1.146 8.266 21.665
336 HG LEU 42 HG LEU 42 -1.400 7.262 23.017
337 HD11 LEU 42 1HD1 LEU 42 0.368 9.552 23.926
338 HD12 LEU 42 2HD1 LEU 42 0.148 8.008 24.754
339 HD13 LEU 42 3HD1 LEU 42 -1.208 9.122 24.602
340 HD21 LEU 42 3HD2 LEU 42 -2.345 9.458 22.406
341 HD22 LEU 42 1HD2 LEU 42 -1.822 8.575 20.975
342 HD23 LEU 42 2HD2 LEU 42 -0.834 9.897 21.602
343 H GLY 43 H GLY 43 -1.912 6.454 19.733
344 HA2 GLY 43 2HA GLY 43 -1.270 8.511 17.763
345 HA3 GLY 43 1HA GLY 43 -1.600 6.902 17.118
Start of MODEL 16
1 H1 GLY 1 H GLY 1 18.467 -4.817 -2.345
2 HA2 GLY 1 1HA GLY 1 16.317 -6.145 -3.649
3 HA3 GLY 1 2HA GLY 1 15.649 -5.179 -2.342
4 H HIS 2 H HIS 2 14.566 -3.993 -4.052
5 HA HIS 2 HA HIS 2 16.037 -1.597 -4.792
6 HB2 HIS 2 2HB HIS 2 16.422 -3.025 -6.786
7 HB3 HIS 2 1HB HIS 2 14.695 -3.329 -6.929
8 HD1 HIS 2 1HD HIS 2 17.179 -0.473 -7.215
9 HD2 HIS 2 2HD HIS 2 13.339 -1.465 -8.460
10 HE1 HIS 2 1HE HIS 2 16.509 1.308 -8.845
11 HE2 HIS 2 2HE HIS 2 14.250 0.613 -9.681
12 H MET 3 H MET 3 14.666 -0.580 -3.331
13 HA MET 3 HA MET 3 11.789 -0.814 -3.469
14 HB2 MET 3 2HB MET 3 11.763 0.849 -1.652
15 HB3 MET 3 1HB MET 3 12.921 -0.425 -1.302
16 HG2 MET 3 2HG MET 3 14.762 1.075 -2.000
17 HG3 MET 3 1HG MET 3 13.586 2.359 -2.302
18 HE1 MET 3 3HE MET 3 15.259 3.724 0.941
19 HE2 MET 3 1HE MET 3 14.704 4.122 -0.684
20 HE3 MET 3 2HE MET 3 16.027 2.977 -0.455
21 HA PRO 4 HA PRO 4 11.173 2.748 -6.282
22 HB2 PRO 4 2HB PRO 4 8.365 2.829 -5.323
23 HB3 PRO 4 1HB PRO 4 8.971 2.423 -6.941
24 HG2 PRO 4 2HG PRO 4 7.855 0.557 -5.325
25 HG3 PRO 4 1HG PRO 4 9.162 0.163 -6.468
26 HD2 PRO 4 2HD PRO 4 9.353 0.686 -3.496
27 HD3 PRO 4 1HD PRO 4 10.112 -0.605 -4.458
28 H LYS 5 H LYS 5 10.358 5.002 -6.046
29 HA LYS 5 HA LYS 5 11.248 6.269 -3.656
30 HB2 LYS 5 2HB LYS 5 9.951 7.282 -6.197
31 HB3 LYS 5 1HB LYS 5 10.013 8.345 -4.803
32 HG2 LYS 5 2HG LYS 5 11.950 9.013 -5.791
33 HG3 LYS 5 1HG LYS 5 12.610 7.682 -4.851
34 HD2 LYS 5 2HD LYS 5 11.797 7.476 -7.777
35 HD3 LYS 5 1HD LYS 5 13.426 7.862 -7.234
36 HE2 LYS 5 2HE LYS 5 11.929 5.249 -6.858
37 HE3 LYS 5 1HE LYS 5 13.389 5.536 -7.806
38 HZ1 LYS 5 3HZ LYS 5 13.138 5.625 -4.848
39 HZ2 LYS 5 1HZ LYS 5 14.517 6.096 -5.701
40 HZ3 LYS 5 2HZ LYS 5 13.990 4.493 -5.775
41 H ILE 6 H ILE 6 10.214 6.103 -1.857
42 HA ILE 6 HA ILE 6 7.612 5.087 -1.508
43 HB ILE 6 HB ILE 6 9.424 6.485 0.516
44 HG12 ILE 6 2HG1 ILE 6 10.562 4.547 -0.486
45 HG13 ILE 6 1HG1 ILE 6 10.157 4.200 1.189
46 HG21 ILE 6 1HG2 ILE 6 7.159 6.418 1.402
47 HG22 ILE 6 2HG2 ILE 6 8.157 5.255 2.274
48 HG23 ILE 6 3HG2 ILE 6 7.022 4.694 1.045
49 HD11 ILE 6 3HD1 ILE 6 9.804 2.272 -0.192
50 HD12 ILE 6 1HD1 ILE 6 8.732 3.175 -1.260
51 HD13 ILE 6 2HD1 ILE 6 8.248 2.849 0.409
52 H ASN 7 H ASN 7 5.923 6.304 -2.253
53 HA ASN 7 HA ASN 7 5.544 9.112 -1.503
54 HB2 ASN 7 2HB ASN 7 3.514 7.260 -2.854
55 HB3 ASN 7 1HB ASN 7 3.497 9.022 -2.816
56 HD21 ASN 7 1HD2 ASN 7 4.970 6.182 -4.254
57 HD22 ASN 7 2HD2 ASN 7 5.716 7.010 -5.577
58 H GLU 8 H GLU 8 3.252 6.404 -1.331
59 HA GLU 8 HA GLU 8 2.894 6.731 1.593
60 HB2 GLU 8 2HB GLU 8 0.916 7.524 0.224
61 HB3 GLU 8 1HB GLU 8 0.785 5.911 -0.464
62 HG2 GLU 8 2HG GLU 8 0.333 5.025 1.828
63 HG3 GLU 8 1HG GLU 8 0.369 6.679 2.446
64 H ASP 9 H ASP 9 4.240 4.920 -0.742
65 HA ASP 9 HA ASP 9 3.612 2.250 -0.487
66 HB2 ASP 9 2HB ASP 9 6.348 3.529 -0.814
67 HB3 ASP 9 1HB ASP 9 5.999 1.845 -1.158
68 H TRP 10 H TRP 10 3.479 1.088 1.286
69 HA TRP 10 HA TRP 10 5.229 1.586 3.603
70 HB2 TRP 10 2HB TRP 10 3.336 0.636 4.966
71 HB3 TRP 10 1HB TRP 10 3.018 2.188 4.212
72 HD1 TRP 10 HD TRP 10 1.051 2.306 2.410
73 HE1 TRP 10 1HE TRP 10 -0.870 0.695 1.849
74 HE3 TRP 10 3HE TRP 10 2.836 -1.922 4.652
75 HZ2 TRP 10 2HZ TRP 10 -1.526 -2.013 2.255
76 HZ3 TRP 10 3HZ TRP 10 1.518 -3.987 4.492
77 HH2 TRP 10 HH TRP 10 -0.620 -4.039 3.315
78 H LEU 11 H LEU 11 5.512 -0.250 5.003
79 HA LEU 11 HA LEU 11 6.146 -2.721 3.499
80 HB2 LEU 11 2HB LEU 11 8.005 -1.116 4.493
81 HB3 LEU 11 1HB LEU 11 7.541 -1.767 6.047
82 HG LEU 11 HG LEU 11 9.610 -2.800 5.070
83 HD11 LEU 11 1HD1 LEU 11 8.349 -4.074 6.719
84 HD12 LEU 11 2HD1 LEU 11 9.109 -5.133 5.535
85 HD13 LEU 11 3HD1 LEU 11 7.377 -4.803 5.434
86 HD21 LEU 11 3HD2 LEU 11 8.979 -2.698 2.695
87 HD22 LEU 11 1HD2 LEU 11 7.774 -3.964 2.954
88 HD23 LEU 11 2HD2 LEU 11 9.492 -4.319 3.161
89 H CYS 12 H CYS 12 5.203 -4.588 4.293
90 HA CYS 12 HA CYS 12 3.090 -4.462 6.199
91 HB2 CYS 12 2HB CYS 12 2.925 -6.043 4.367
92 HB3 CYS 12 1HB CYS 12 4.436 -6.809 4.807
93 H ASN 13 H ASN 13 2.903 -5.996 8.046
94 HA ASN 13 HA ASN 13 5.398 -6.218 9.642
95 HB2 ASN 13 2HB ASN 13 3.849 -6.270 11.645
96 HB3 ASN 13 1HB ASN 13 3.847 -4.758 10.751
97 HD21 ASN 13 1HD2 ASN 13 1.833 -4.093 11.498
98 HD22 ASN 13 2HD2 ASN 13 0.357 -4.861 11.027
99 H LYS 14 H LYS 14 2.664 -7.981 8.335
100 HA LYS 14 HA LYS 14 3.329 -10.483 9.663
101 HB2 LYS 14 2HB LYS 14 1.253 -9.800 7.554
102 HB3 LYS 14 1HB LYS 14 1.500 -11.435 8.169
103 HG2 LYS 14 2HG LYS 14 1.006 -10.526 10.484
104 HG3 LYS 14 1HG LYS 14 0.532 -9.006 9.717
105 HD2 LYS 14 2HD LYS 14 -0.754 -11.741 9.261
106 HD3 LYS 14 1HD LYS 14 -1.446 -10.409 10.195
107 HE2 LYS 14 2HE LYS 14 -1.637 -9.048 8.178
108 HE3 LYS 14 1HE LYS 14 -0.821 -10.281 7.228
109 HZ1 LYS 14 3HZ LYS 14 -2.676 -11.784 7.733
110 HZ2 LYS 14 1HZ LYS 14 -3.155 -10.415 6.863
111 HZ3 LYS 14 2HZ LYS 14 -3.473 -10.518 8.519
112 H CYS 15 H CYS 15 2.968 -9.745 6.062
113 HA CYS 15 HA CYS 15 4.751 -11.969 5.468
114 HB2 CYS 15 2HB CYS 15 4.286 -11.359 3.112
115 HB3 CYS 15 1HB CYS 15 2.809 -11.542 4.055
116 H GLY 16 H GLY 16 4.893 -8.476 5.609
117 HA2 GLY 16 2HA GLY 16 6.730 -7.101 5.837
118 HA3 GLY 16 1HA GLY 16 7.800 -8.456 5.498
119 H VAL 17 H VAL 17 5.171 -7.805 3.266
120 HA VAL 17 HA VAL 17 7.127 -7.207 1.174
121 HB VAL 17 HB VAL 17 5.362 -7.491 -0.457
122 HG11 VAL 17 1HG1 VAL 17 5.143 -9.647 1.676
123 HG12 VAL 17 2HG1 VAL 17 6.388 -9.539 0.429
124 HG13 VAL 17 3HG1 VAL 17 4.710 -9.827 -0.030
125 HG21 VAL 17 3HG2 VAL 17 3.000 -7.991 0.166
126 HG22 VAL 17 1HG2 VAL 17 3.489 -6.366 0.650
127 HG23 VAL 17 2HG2 VAL 17 3.385 -7.647 1.854
128 H GLN 18 H GLN 18 7.156 -5.410 -0.104
129 HA GLN 18 HA GLN 18 5.989 -2.929 0.931
130 HB2 GLN 18 2HB GLN 18 8.406 -2.993 0.419
131 HB3 GLN 18 1HB GLN 18 8.074 -3.458 -1.242
132 HG2 GLN 18 2HG GLN 18 6.973 -0.851 -0.181
133 HG3 GLN 18 1HG GLN 18 8.673 -0.954 -0.630
134 HE21 GLN 18 1HE2 GLN 18 6.580 0.660 -1.844
135 HE22 GLN 18 2HE2 GLN 18 6.506 0.219 -3.504
136 H ASN 19 H ASN 19 4.268 -1.970 -0.041
137 HA ASN 19 HA ASN 19 2.843 -3.562 -2.058
138 HB2 ASN 19 2HB ASN 19 0.859 -2.438 -1.282
139 HB3 ASN 19 1HB ASN 19 1.794 -2.835 0.157
140 HD21 ASN 19 1HD2 ASN 19 -0.224 -0.698 -0.426
141 HD22 ASN 19 2HD2 ASN 19 0.535 0.766 0.067
142 H PHE 20 H PHE 20 1.191 -1.906 -3.268
143 HA PHE 20 HA PHE 20 2.810 -0.125 -4.945
144 HB2 PHE 20 2HB PHE 20 1.444 -1.969 -6.005
145 HB3 PHE 20 1HB PHE 20 -0.017 -1.176 -5.428
146 HD1 PHE 20 1HD PHE 20 3.120 -0.121 -7.233
147 HD2 PHE 20 2HD PHE 20 -1.162 0.030 -7.114
148 HE1 PHE 20 1HE PHE 20 3.101 1.270 -9.270
149 HE2 PHE 20 2HE PHE 20 -1.162 1.417 -9.150
150 HZ PHE 20 HZ PHE 20 0.966 2.029 -10.229
151 H LYS 21 H LYS 21 2.404 0.921 -2.477
152 HA LYS 21 HA LYS 21 1.617 2.434 -1.077
153 HB2 LYS 21 2HB LYS 21 1.435 4.738 -1.970
154 HB3 LYS 21 1HB LYS 21 2.845 3.865 -2.494
155 HG2 LYS 21 2HG LYS 21 1.935 3.541 -4.706
156 HG3 LYS 21 1HG LYS 21 0.403 4.262 -4.215
157 HD2 LYS 21 2HD LYS 21 1.506 6.425 -3.862
158 HD3 LYS 21 1HD LYS 21 3.078 5.704 -4.236
159 HE2 LYS 21 2HE LYS 21 2.261 6.936 -6.168
160 HE3 LYS 21 1HE LYS 21 2.278 5.212 -6.535
161 HZ1 LYS 21 3HZ LYS 21 -0.106 6.811 -5.775
162 HZ2 LYS 21 1HZ LYS 21 -0.112 5.150 -6.103
163 HZ3 LYS 21 2HZ LYS 21 0.264 6.253 -7.325
164 H ARG 22 H ARG 22 -0.719 2.995 -3.749
165 HA ARG 22 HA ARG 22 -2.856 3.862 -2.183
166 HB2 ARG 22 2HB ARG 22 -2.609 4.209 -4.648
167 HB3 ARG 22 1HB ARG 22 -2.959 2.506 -4.902
168 HG2 ARG 22 2HG ARG 22 -4.947 3.835 -5.359
169 HG3 ARG 22 1HG ARG 22 -5.222 2.821 -3.943
170 HD2 ARG 22 2HD ARG 22 -4.665 4.838 -2.499
171 HD3 ARG 22 1HD ARG 22 -4.634 5.808 -3.977
172 HE ARG 22 HE ARG 22 -6.977 4.531 -2.737
173 HH11 ARG 22 1HH1 ARG 22 -5.747 6.674 -5.235
174 HH12 ARG 22 2HH1 ARG 22 -7.313 7.309 -5.625
175 HH21 ARG 22 1HH2 ARG 22 -8.997 5.362 -3.241
176 HH22 ARG 22 2HH2 ARG 22 -9.166 6.559 -4.487
177 H ARG 23 H ARG 23 -1.711 0.633 -2.795
178 HA ARG 23 HA ARG 23 -3.963 -0.916 -2.095
179 HB2 ARG 23 2HB ARG 23 -1.025 -1.467 -1.477
180 HB3 ARG 23 1HB ARG 23 -2.319 -2.653 -1.386
181 HG2 ARG 23 2HG ARG 23 -1.377 -1.278 -3.919
182 HG3 ARG 23 1HG ARG 23 -0.898 -2.893 -3.392
183 HD2 ARG 23 2HD ARG 23 -3.389 -3.508 -3.477
184 HD3 ARG 23 1HD ARG 23 -3.648 -1.962 -4.299
185 HE ARG 23 HE ARG 23 -2.126 -4.281 -5.319
186 HH11 ARG 23 1HH1 ARG 23 -3.598 -1.155 -5.993
187 HH12 ARG 23 2HH1 ARG 23 -3.410 -1.308 -7.705
188 HH21 ARG 23 1HH2 ARG 23 -1.882 -4.455 -7.543
189 HH22 ARG 23 2HH2 ARG 23 -2.425 -3.183 -8.590
190 H GLU 24 H GLU 24 -5.135 -0.259 -0.317
191 HA GLU 24 HA GLU 24 -3.969 0.746 2.125
192 HB2 GLU 24 2HB GLU 24 -6.815 -0.232 1.673
193 HB3 GLU 24 1HB GLU 24 -6.258 0.809 2.979
194 HG2 GLU 24 2HG GLU 24 -5.837 2.626 1.439
195 HG3 GLU 24 1HG GLU 24 -6.159 1.591 0.048
196 H LYS 25 H LYS 25 -4.506 -2.348 0.864
197 HA LYS 25 HA LYS 25 -3.495 -3.584 3.323
198 HB2 LYS 25 2HB LYS 25 -5.710 -4.723 1.555
199 HB3 LYS 25 1HB LYS 25 -4.853 -5.651 2.787
200 HG2 LYS 25 2HG LYS 25 -5.735 -4.179 4.547
201 HG3 LYS 25 1HG LYS 25 -6.557 -3.189 3.335
202 HD2 LYS 25 2HD LYS 25 -7.127 -6.114 3.971
203 HD3 LYS 25 1HD LYS 25 -8.135 -4.734 4.416
204 HE2 LYS 25 2HE LYS 25 -8.489 -4.255 1.987
205 HE3 LYS 25 1HE LYS 25 -7.546 -5.692 1.587
206 HZ1 LYS 25 3HZ LYS 25 -9.195 -7.010 2.811
207 HZ2 LYS 25 1HZ LYS 25 -9.861 -6.189 1.492
208 HZ3 LYS 25 2HZ LYS 25 -10.119 -5.620 3.061
209 H CYS 26 H CYS 26 -2.156 -5.428 2.896
210 HA CYS 26 HA CYS 26 -0.444 -5.256 0.693
211 HB2 CYS 26 2HB CYS 26 -0.897 -7.400 2.769
212 HB3 CYS 26 1HB CYS 26 0.153 -7.744 1.401
213 H PHE 27 H PHE 27 -0.146 -6.545 -1.120
214 HA PHE 27 HA PHE 27 -2.560 -7.118 -2.558
215 HB2 PHE 27 2HB PHE 27 -1.060 -7.453 -4.502
216 HB3 PHE 27 1HB PHE 27 -0.714 -5.957 -3.654
217 HD1 PHE 27 1HD PHE 27 1.408 -5.665 -2.399
218 HD2 PHE 27 2HD PHE 27 0.592 -9.283 -4.551
219 HE1 PHE 27 1HE PHE 27 3.784 -6.289 -2.274
220 HE2 PHE 27 2HE PHE 27 2.968 -9.895 -4.406
221 HZ PHE 27 HZ PHE 27 4.564 -8.402 -3.270
222 H LYS 28 H LYS 28 -0.928 -9.048 -0.429
223 HA LYS 28 HA LYS 28 -1.790 -11.558 -1.664
224 HB2 LYS 28 2HB LYS 28 0.512 -12.557 -1.250
225 HB3 LYS 28 1HB LYS 28 0.411 -11.403 -2.559
226 HG2 LYS 28 2HG LYS 28 2.408 -10.788 -1.555
227 HG3 LYS 28 1HG LYS 28 1.290 -9.660 -0.811
228 HD2 LYS 28 2HD LYS 28 2.706 -10.413 0.929
229 HD3 LYS 28 1HD LYS 28 1.203 -11.290 1.162
230 HE2 LYS 28 2HE LYS 28 3.659 -12.439 -0.198
231 HE3 LYS 28 1HE LYS 28 3.246 -12.682 1.496
232 HZ1 LYS 28 3HZ LYS 28 1.735 -13.647 -0.872
233 HZ2 LYS 28 1HZ LYS 28 1.139 -13.726 0.711
234 HZ3 LYS 28 2HZ LYS 28 2.538 -14.575 0.289
235 H CYS 29 H CYS 29 -0.405 -9.935 1.202
236 HA CYS 29 HA CYS 29 -1.239 -12.096 2.971
237 HB2 CYS 29 2HB CYS 29 0.971 -11.071 3.168
238 HB3 CYS 29 1HB CYS 29 0.248 -9.489 3.408
239 H GLY 30 H GLY 30 -2.171 -8.803 2.112
240 HA2 GLY 30 2HA GLY 30 -4.156 -7.710 2.358
241 HA3 GLY 30 1HA GLY 30 -4.820 -9.155 3.108
242 H VAL 31 H VAL 31 -1.944 -7.696 4.515
243 HA VAL 31 HA VAL 31 -3.279 -7.116 6.973
244 HB VAL 31 HB VAL 31 -0.863 -7.702 6.935
245 HG11 VAL 31 1HG1 VAL 31 -0.413 -4.964 5.701
246 HG12 VAL 31 2HG1 VAL 31 -0.145 -6.522 4.917
247 HG13 VAL 31 3HG1 VAL 31 0.849 -6.047 6.295
248 HG21 VAL 31 3HG2 VAL 31 -1.721 -6.564 8.906
249 HG22 VAL 31 1HG2 VAL 31 -1.472 -4.983 8.157
250 HG23 VAL 31 2HG2 VAL 31 -0.082 -5.992 8.584
251 HA PRO 32 HA PRO 32 -4.816 -2.971 5.928
252 HB2 PRO 32 2HB PRO 32 -4.802 -2.653 8.933
253 HB3 PRO 32 1HB PRO 32 -6.121 -2.366 7.778
254 HG2 PRO 32 2HG PRO 32 -6.201 -4.521 9.297
255 HG3 PRO 32 1HG PRO 32 -6.619 -4.644 7.576
256 HD2 PRO 32 2HD PRO 32 -4.028 -5.394 8.913
257 HD3 PRO 32 1HD PRO 32 -4.983 -6.309 7.721
258 H LYS 33 H LYS 33 -3.756 -1.128 5.520
259 HA LYS 33 HA LYS 33 -1.080 -0.545 6.162
260 HB2 LYS 33 2HB LYS 33 -2.171 0.419 4.173
261 HB3 LYS 33 1HB LYS 33 -3.310 1.301 5.189
262 HG2 LYS 33 2HG LYS 33 -1.317 2.568 6.151
263 HG3 LYS 33 1HG LYS 33 -0.317 1.773 4.935
264 HD2 LYS 33 2HD LYS 33 -0.886 3.964 4.104
265 HD3 LYS 33 1HD LYS 33 -1.784 2.776 3.155
266 HE2 LYS 33 2HE LYS 33 -3.797 3.220 4.571
267 HE3 LYS 33 1HE LYS 33 -2.879 4.445 5.444
268 HZ1 LYS 33 3HZ LYS 33 -4.296 5.387 3.721
269 HZ2 LYS 33 1HZ LYS 33 -3.455 4.519 2.538
270 HZ3 LYS 33 2HZ LYS 33 -2.660 5.716 3.430
271 H SER 34 H SER 34 -4.151 0.337 7.588
272 HA SER 34 HA SER 34 -3.439 2.367 9.354
273 HB2 SER 34 2HB SER 34 -5.780 1.729 8.820
274 HB3 SER 34 1HB SER 34 -5.570 0.204 9.682
275 HG SER 34 HG SER 34 -5.268 2.763 10.867
276 H GLU 35 H GLU 35 -2.882 -1.084 9.515
277 HA GLU 35 HA GLU 35 -1.867 -0.920 12.292
278 HB2 GLU 35 2HB GLU 35 -2.740 -3.392 10.739
279 HB3 GLU 35 1HB GLU 35 -2.193 -3.352 12.420
280 HG2 GLU 35 2HG GLU 35 -4.132 -1.876 12.970
281 HG3 GLU 35 1HG GLU 35 -4.705 -2.056 11.310
282 H ALA 36 H ALA 36 -0.879 -1.378 8.998
283 HA ALA 36 HA ALA 36 1.630 -2.726 9.540
284 HB1 ALA 36 1HB ALA 36 2.164 -2.225 7.178
285 HB2 ALA 36 2HB ALA 36 0.732 -1.196 7.064
286 HB3 ALA 36 3HB ALA 36 0.552 -2.933 7.330
287 H GLU 37 H GLU 37 0.797 0.566 8.432
288 HA GLU 37 HA GLU 37 3.137 1.737 9.655
289 HB2 GLU 37 2HB GLU 37 0.687 3.015 8.349
290 HB3 GLU 37 1HB GLU 37 2.087 3.912 8.938
291 HG2 GLU 37 2HG GLU 37 2.009 1.908 6.663
292 HG3 GLU 37 1HG GLU 37 2.284 3.648 6.547
293 H GLN 38 H GLN 38 2.801 3.577 11.168
294 HA GLN 38 HA GLN 38 2.613 4.149 13.281
295 HB2 GLN 38 2HB GLN 38 0.553 5.004 13.929
296 HB3 GLN 38 1HB GLN 38 0.445 5.015 12.188
297 HG2 GLN 38 2HG GLN 38 -0.952 2.974 12.266
298 HG3 GLN 38 1HG GLN 38 -0.839 2.966 14.024
299 HE21 GLN 38 1HE2 GLN 38 -3.188 3.173 12.255
300 HE22 GLN 38 2HE2 GLN 38 -4.000 4.616 12.747
301 H LYS 39 H LYS 39 1.430 3.561 15.526
302 HA LYS 39 HA LYS 39 1.344 0.622 15.858
303 HB2 LYS 39 2HB LYS 39 3.053 2.622 17.364
304 HB3 LYS 39 1HB LYS 39 2.529 1.143 18.166
305 HG2 LYS 39 2HG LYS 39 3.603 -0.180 16.328
306 HG3 LYS 39 1HG LYS 39 4.216 1.327 15.640
307 HD2 LYS 39 2HD LYS 39 5.615 1.729 17.555
308 HD3 LYS 39 1HD LYS 39 4.843 0.441 18.483
309 HE2 LYS 39 2HE LYS 39 7.092 -0.207 17.634
310 HE3 LYS 39 1HE LYS 39 5.812 -1.250 17.015
311 HZ1 LYS 39 3HZ LYS 39 7.370 -0.649 15.282
312 HZ2 LYS 39 1HZ LYS 39 7.073 0.990 15.528
313 HZ3 LYS 39 2HZ LYS 39 5.847 -0.008 14.940
314 H LEU 40 H LEU 40 -0.658 0.226 16.412
315 HA LEU 40 HA LEU 40 -2.396 1.935 17.941
316 HB2 LEU 40 2HB LEU 40 -2.631 -0.991 17.099
317 HB3 LEU 40 1HB LEU 40 -3.901 -0.114 17.933
318 HG LEU 40 HG LEU 40 -3.934 1.501 15.921
319 HD11 LEU 40 1HD1 LEU 40 -1.783 0.935 14.920
320 HD12 LEU 40 2HD1 LEU 40 -3.096 0.679 13.774
321 HD13 LEU 40 3HD1 LEU 40 -2.351 -0.704 14.582
322 HD21 LEU 40 3HD2 LEU 40 -5.692 -0.149 16.296
323 HD22 LEU 40 1HD2 LEU 40 -4.753 -1.375 15.438
324 HD23 LEU 40 2HD2 LEU 40 -5.367 0.040 14.574
325 HA PRO 41 HA PRO 41 -1.645 0.659 22.293
326 HB2 PRO 41 2HB PRO 41 -4.472 -0.457 22.143
327 HB3 PRO 41 1HB PRO 41 -3.711 0.499 23.440
328 HG2 PRO 41 2HG PRO 41 -5.351 1.702 21.764
329 HG3 PRO 41 1HG PRO 41 -3.831 2.499 22.231
330 HD2 PRO 41 2HD PRO 41 -4.520 1.149 19.629
331 HD3 PRO 41 1HD PRO 41 -3.498 2.572 19.928
332 H LEU 42 H LEU 42 -0.183 -0.982 22.345
333 HA LEU 42 HA LEU 42 0.912 -2.888 22.125
334 HB2 LEU 42 2HB LEU 42 -1.841 -4.100 22.358
335 HB3 LEU 42 1HB LEU 42 -0.472 -5.125 21.979
336 HG LEU 42 HG LEU 42 -0.856 -5.285 24.341
337 HD11 LEU 42 1HD1 LEU 42 1.277 -4.593 25.285
338 HD12 LEU 42 2HD1 LEU 42 1.563 -3.503 23.927
339 HD13 LEU 42 3HD1 LEU 42 1.498 -5.249 23.666
340 HD21 LEU 42 3HD2 LEU 42 -0.719 -2.253 24.532
341 HD22 LEU 42 1HD2 LEU 42 -0.869 -3.375 25.890
342 HD23 LEU 42 2HD2 LEU 42 -2.168 -3.246 24.708
343 H GLY 43 H GLY 43 -1.932 -3.312 19.961
344 HA2 GLY 43 2HA GLY 43 -1.893 -2.907 17.634
345 HA3 GLY 43 1HA GLY 43 -0.149 -3.136 17.618
Start of MODEL 17
1 H1 GLY 1 H GLY 1 15.035 -5.289 3.467
2 HA2 GLY 1 1HA GLY 1 15.444 -6.940 1.184
3 HA3 GLY 1 2HA GLY 1 14.549 -7.871 2.376
4 H HIS 2 H HIS 2 13.541 -7.191 -0.136
5 HA HIS 2 HA HIS 2 11.766 -6.427 -1.246
6 HB2 HIS 2 2HB HIS 2 10.587 -5.955 1.520
7 HB3 HIS 2 1HB HIS 2 9.667 -5.862 0.021
8 HD1 HIS 2 1HD HIS 2 9.996 -8.091 2.642
9 HD2 HIS 2 2HD HIS 2 10.317 -8.579 -1.469
10 HE1 HIS 2 1HE HIS 2 9.583 -10.525 2.214
11 HE2 HIS 2 2HE HIS 2 9.851 -10.814 -0.270
12 H MET 3 H MET 3 12.980 -4.817 -2.166
13 HA MET 3 HA MET 3 13.375 -2.800 -3.022
14 HB2 MET 3 2HB MET 3 10.895 -1.945 -1.481
15 HB3 MET 3 1HB MET 3 11.668 -0.995 -2.750
16 HG2 MET 3 2HG MET 3 11.188 -2.776 -4.380
17 HG3 MET 3 1HG MET 3 10.441 -3.752 -3.114
18 HE1 MET 3 3HE MET 3 8.823 -3.233 -5.779
19 HE2 MET 3 1HE MET 3 7.254 -2.838 -5.075
20 HE3 MET 3 2HE MET 3 8.242 -4.112 -4.363
21 HA PRO 4 HA PRO 4 15.796 -1.109 0.557
22 HB2 PRO 4 2HB PRO 4 18.204 -1.033 -0.722
23 HB3 PRO 4 1HB PRO 4 17.581 -2.541 -0.010
24 HG2 PRO 4 2HG PRO 4 17.508 -1.641 -2.888
25 HG3 PRO 4 1HG PRO 4 17.941 -3.232 -2.220
26 HD2 PRO 4 2HD PRO 4 15.462 -2.701 -3.251
27 HD3 PRO 4 1HD PRO 4 15.723 -3.875 -1.943
28 H LYS 5 H LYS 5 14.139 0.555 -0.302
29 HA LYS 5 HA LYS 5 15.345 2.958 -1.351
30 HB2 LYS 5 2HB LYS 5 14.835 1.634 -3.433
31 HB3 LYS 5 1HB LYS 5 13.149 1.531 -2.939
32 HG2 LYS 5 2HG LYS 5 12.967 4.005 -3.124
33 HG3 LYS 5 1HG LYS 5 14.657 4.072 -3.646
34 HD2 LYS 5 2HD LYS 5 13.989 2.537 -5.581
35 HD3 LYS 5 1HD LYS 5 12.306 2.804 -5.111
36 HE2 LYS 5 2HE LYS 5 12.929 4.306 -6.942
37 HE3 LYS 5 1HE LYS 5 12.621 5.240 -5.478
38 HZ1 LYS 5 3HZ LYS 5 14.604 6.001 -6.625
39 HZ2 LYS 5 1HZ LYS 5 15.299 4.464 -6.507
40 HZ3 LYS 5 2HZ LYS 5 15.011 5.369 -5.111
41 H ILE 6 H ILE 6 14.140 4.753 -0.662
42 HA ILE 6 HA ILE 6 11.864 4.259 1.099
43 HB ILE 6 HB ILE 6 12.004 6.632 1.736
44 HG12 ILE 6 2HG1 ILE 6 14.306 6.883 -0.274
45 HG13 ILE 6 1HG1 ILE 6 12.709 7.591 -0.465
46 HG21 ILE 6 1HG2 ILE 6 14.191 6.586 2.861
47 HG22 ILE 6 2HG2 ILE 6 14.731 5.295 1.784
48 HG23 ILE 6 3HG2 ILE 6 13.409 5.003 2.917
49 HD11 ILE 6 3HD1 ILE 6 14.752 8.336 1.634
50 HD12 ILE 6 1HD1 ILE 6 13.119 9.001 1.521
51 HD13 ILE 6 2HD1 ILE 6 14.275 9.281 0.223
52 H ASN 7 H ASN 7 9.819 4.879 0.721
53 HA ASN 7 HA ASN 7 9.020 6.814 -1.209
54 HB2 ASN 7 2HB ASN 7 9.384 4.782 -2.710
55 HB3 ASN 7 1HB ASN 7 8.131 3.948 -1.798
56 HD21 ASN 7 1HD2 ASN 7 6.950 3.727 -3.777
57 HD22 ASN 7 2HD2 ASN 7 6.047 5.050 -4.426
58 H GLU 8 H GLU 8 6.763 7.273 -1.039
59 HA GLU 8 HA GLU 8 5.728 7.327 1.544
60 HB2 GLU 8 2HB GLU 8 5.165 8.881 -0.343
61 HB3 GLU 8 1HB GLU 8 4.229 7.603 -1.097
62 HG2 GLU 8 2HG GLU 8 2.731 9.155 -0.016
63 HG3 GLU 8 1HG GLU 8 2.674 7.611 0.832
64 H ASP 9 H ASP 9 5.265 4.958 -0.989
65 HA ASP 9 HA ASP 9 3.092 3.451 -0.230
66 HB2 ASP 9 2HB ASP 9 5.762 2.489 -1.328
67 HB3 ASP 9 1HB ASP 9 4.299 1.517 -1.297
68 H TRP 10 H TRP 10 2.810 1.587 1.088
69 HA TRP 10 HA TRP 10 4.364 1.815 3.567
70 HB2 TRP 10 2HB TRP 10 2.395 0.597 4.601
71 HB3 TRP 10 1HB TRP 10 2.067 2.198 3.967
72 HD1 TRP 10 HD TRP 10 0.604 2.293 1.593
73 HE1 TRP 10 1HE TRP 10 -1.259 0.717 0.786
74 HE3 TRP 10 3HE TRP 10 1.668 -1.791 4.489
75 HZ2 TRP 10 2HZ TRP 10 -2.167 -1.899 1.306
76 HZ3 TRP 10 3HZ TRP 10 0.249 -3.786 4.274
77 HH2 TRP 10 HH TRP 10 -1.624 -3.838 2.717
78 H LEU 11 H LEU 11 5.297 0.181 4.576
79 HA LEU 11 HA LEU 11 5.904 -2.255 3.031
80 HB2 LEU 11 2HB LEU 11 7.654 -0.472 3.958
81 HB3 LEU 11 1HB LEU 11 7.412 -1.278 5.489
82 HG LEU 11 HG LEU 11 9.474 -2.032 4.392
83 HD11 LEU 11 1HD1 LEU 11 9.204 -4.437 4.475
84 HD12 LEU 11 2HD1 LEU 11 7.448 -4.265 4.405
85 HD13 LEU 11 3HD1 LEU 11 8.342 -3.657 5.801
86 HD21 LEU 11 3HD2 LEU 11 7.757 -3.021 2.110
87 HD22 LEU 11 1HD2 LEU 11 9.501 -3.235 2.285
88 HD23 LEU 11 2HD2 LEU 11 8.829 -1.619 2.068
89 H CYS 12 H CYS 12 4.753 -3.996 3.654
90 HA CYS 12 HA CYS 12 3.102 -4.299 5.876
91 HB2 CYS 12 2HB CYS 12 4.399 -6.403 4.100
92 HB3 CYS 12 1HB CYS 12 3.124 -6.757 5.265
93 H ASN 13 H ASN 13 3.235 -5.397 7.720
94 HA ASN 13 HA ASN 13 5.898 -5.690 8.956
95 HB2 ASN 13 2HB ASN 13 4.721 -5.147 11.073
96 HB3 ASN 13 1HB ASN 13 4.487 -3.882 9.873
97 HD21 ASN 13 1HD2 ASN 13 2.881 -4.390 12.172
98 HD22 ASN 13 2HD2 ASN 13 1.277 -4.725 11.635
99 H LYS 14 H LYS 14 3.142 -7.415 7.941
100 HA LYS 14 HA LYS 14 3.443 -9.576 9.909
101 HB2 LYS 14 2HB LYS 14 1.238 -9.009 7.886
102 HB3 LYS 14 1HB LYS 14 1.266 -10.411 8.955
103 HG2 LYS 14 2HG LYS 14 1.251 -8.885 10.927
104 HG3 LYS 14 1HG LYS 14 1.171 -7.499 9.839
105 HD2 LYS 14 2HD LYS 14 -1.044 -8.010 10.745
106 HD3 LYS 14 1HD LYS 14 -1.021 -8.275 9.006
107 HE2 LYS 14 2HE LYS 14 -0.800 -10.707 9.388
108 HE3 LYS 14 1HE LYS 14 -0.841 -10.426 11.131
109 HZ1 LYS 14 3HZ LYS 14 -3.060 -9.462 10.862
110 HZ2 LYS 14 1HZ LYS 14 -3.009 -11.068 10.340
111 HZ3 LYS 14 2HZ LYS 14 -3.019 -9.814 9.206
112 H CYS 15 H CYS 15 2.987 -9.449 6.242
113 HA CYS 15 HA CYS 15 4.589 -11.836 5.955
114 HB2 CYS 15 2HB CYS 15 4.435 -11.405 3.539
115 HB3 CYS 15 1HB CYS 15 2.859 -11.311 4.319
116 H GLY 16 H GLY 16 5.108 -8.403 5.104
117 HA2 GLY 16 2HA GLY 16 7.182 -7.344 5.904
118 HA3 GLY 16 1HA GLY 16 8.046 -8.780 5.377
119 H VAL 17 H VAL 17 5.552 -7.882 3.226
120 HA VAL 17 HA VAL 17 7.511 -7.231 1.156
121 HB VAL 17 HB VAL 17 5.737 -7.554 -0.450
122 HG11 VAL 17 1HG1 VAL 17 5.416 -9.577 1.790
123 HG12 VAL 17 2HG1 VAL 17 6.633 -9.621 0.510
124 HG13 VAL 17 3HG1 VAL 17 4.925 -9.823 0.110
125 HG21 VAL 17 3HG2 VAL 17 3.927 -6.281 0.594
126 HG22 VAL 17 1HG2 VAL 17 3.769 -7.494 1.869
127 HG23 VAL 17 2HG2 VAL 17 3.357 -7.904 0.201
128 H GLN 18 H GLN 18 6.543 -5.528 -0.548
129 HA GLN 18 HA GLN 18 5.781 -3.042 0.875
130 HB2 GLN 18 2HB GLN 18 8.062 -3.080 -0.279
131 HB3 GLN 18 1HB GLN 18 7.222 -3.233 -1.815
132 HG2 GLN 18 2HG GLN 18 6.463 -0.926 -0.046
133 HG3 GLN 18 1HG GLN 18 8.045 -0.869 -0.807
134 HE21 GLN 18 1HE2 GLN 18 7.474 0.933 -2.006
135 HE22 GLN 18 2HE2 GLN 18 6.404 0.869 -3.360
136 H ASN 19 H ASN 19 3.853 -2.207 0.389
137 HA ASN 19 HA ASN 19 2.483 -2.980 -2.125
138 HB2 ASN 19 2HB ASN 19 1.278 -2.355 0.593
139 HB3 ASN 19 1HB ASN 19 0.346 -2.437 -0.894
140 HD21 ASN 19 1HD2 ASN 19 2.198 -4.298 1.409
141 HD22 ASN 19 2HD2 ASN 19 1.596 -5.840 0.922
142 H PHE 20 H PHE 20 1.462 -1.401 -3.285
143 HA PHE 20 HA PHE 20 2.536 1.188 -3.299
144 HB2 PHE 20 2HB PHE 20 1.411 -0.101 -5.224
145 HB3 PHE 20 1HB PHE 20 -0.134 0.386 -4.541
146 HD1 PHE 20 1HD PHE 20 3.114 1.817 -5.756
147 HD2 PHE 20 2HD PHE 20 -1.089 2.440 -5.285
148 HE1 PHE 20 1HE PHE 20 3.278 3.892 -7.044
149 HE2 PHE 20 2HE PHE 20 -0.912 4.525 -6.573
150 HZ PHE 20 HZ PHE 20 1.268 5.252 -7.455
151 H LYS 21 H LYS 21 1.459 3.247 -2.821
152 HA LYS 21 HA LYS 21 0.626 3.348 -0.195
153 HB2 LYS 21 2HB LYS 21 1.763 5.178 -1.472
154 HB3 LYS 21 1HB LYS 21 0.258 5.490 -2.327
155 HG2 LYS 21 2HG LYS 21 0.537 7.103 -0.531
156 HG3 LYS 21 1HG LYS 21 -0.833 6.034 -0.194
157 HD2 LYS 21 2HD LYS 21 0.544 4.687 1.346
158 HD3 LYS 21 1HD LYS 21 1.957 5.663 0.953
159 HE2 LYS 21 2HE LYS 21 0.665 7.657 1.891
160 HE3 LYS 21 1HE LYS 21 -0.484 6.473 2.528
161 HZ1 LYS 21 3HZ LYS 21 2.372 6.833 3.222
162 HZ2 LYS 21 1HZ LYS 21 1.537 5.388 3.569
163 HZ3 LYS 21 2HZ LYS 21 1.023 6.844 4.242
164 H ARG 22 H ARG 22 -1.287 3.297 -3.157
165 HA ARG 22 HA ARG 22 -3.721 4.218 -1.854
166 HB2 ARG 22 2HB ARG 22 -3.473 3.176 -4.695
167 HB3 ARG 22 1HB ARG 22 -4.721 4.235 -4.040
168 HG2 ARG 22 2HG ARG 22 -1.805 4.939 -4.559
169 HG3 ARG 22 1HG ARG 22 -3.211 5.493 -5.472
170 HD2 ARG 22 2HD ARG 22 -2.580 6.167 -2.582
171 HD3 ARG 22 1HD ARG 22 -2.342 7.235 -3.965
172 HE ARG 22 HE ARG 22 -4.983 6.293 -3.011
173 HH11 ARG 22 1HH1 ARG 22 -3.013 8.807 -4.517
174 HH12 ARG 22 2HH1 ARG 22 -4.332 9.927 -4.621
175 HH21 ARG 22 1HH2 ARG 22 -6.671 7.808 -3.098
176 HH22 ARG 22 2HH2 ARG 22 -6.401 9.363 -3.815
177 H ARG 23 H ARG 23 -2.284 1.320 -1.625
178 HA ARG 23 HA ARG 23 -4.559 -0.439 -2.066
179 HB2 ARG 23 2HB ARG 23 -1.905 -1.054 -0.709
180 HB3 ARG 23 1HB ARG 23 -3.136 -2.232 -1.179
181 HG2 ARG 23 2HG ARG 23 -2.772 -1.336 -3.583
182 HG3 ARG 23 1HG ARG 23 -1.309 -0.595 -2.954
183 HD2 ARG 23 2HD ARG 23 -0.541 -2.838 -2.236
184 HD3 ARG 23 1HD ARG 23 -1.994 -3.546 -2.944
185 HE ARG 23 HE ARG 23 -0.904 -2.174 -5.021
186 HH11 ARG 23 1HH1 ARG 23 0.437 -4.637 -2.875
187 HH12 ARG 23 2HH1 ARG 23 1.550 -5.241 -4.063
188 HH21 ARG 23 1HH2 ARG 23 0.575 -2.993 -6.556
189 HH22 ARG 23 2HH2 ARG 23 1.623 -4.310 -6.142
190 H GLU 24 H GLU 24 -5.977 -1.118 -0.546
191 HA GLU 24 HA GLU 24 -6.070 0.115 2.071
192 HB2 GLU 24 2HB GLU 24 -7.896 -2.049 0.927
193 HB3 GLU 24 1HB GLU 24 -8.203 -1.077 2.354
194 HG2 GLU 24 2HG GLU 24 -9.577 -0.089 0.753
195 HG3 GLU 24 1HG GLU 24 -8.163 0.960 0.765
196 H LYS 25 H LYS 25 -5.657 -3.150 0.749
197 HA LYS 25 HA LYS 25 -4.325 -4.044 3.240
198 HB2 LYS 25 2HB LYS 25 -6.288 -5.627 1.524
199 HB3 LYS 25 1HB LYS 25 -5.245 -6.364 2.740
200 HG2 LYS 25 2HG LYS 25 -6.334 -5.024 4.504
201 HG3 LYS 25 1HG LYS 25 -7.391 -4.274 3.302
202 HD2 LYS 25 2HD LYS 25 -7.302 -7.241 4.012
203 HD3 LYS 25 1HD LYS 25 -8.524 -6.084 4.553
204 HE2 LYS 25 2HE LYS 25 -8.017 -6.875 1.657
205 HE3 LYS 25 1HE LYS 25 -9.326 -7.478 2.678
206 HZ1 LYS 25 3HZ LYS 25 -8.933 -4.639 1.878
207 HZ2 LYS 25 1HZ LYS 25 -10.186 -5.227 2.841
208 HZ3 LYS 25 2HZ LYS 25 -10.072 -5.702 1.225
209 H CYS 26 H CYS 26 -2.917 -6.024 2.795
210 HA CYS 26 HA CYS 26 -1.083 -5.497 0.675
211 HB2 CYS 26 2HB CYS 26 -0.268 -6.396 2.770
212 HB3 CYS 26 1HB CYS 26 -1.296 -7.819 2.620
213 H PHE 27 H PHE 27 -0.503 -6.837 -1.069
214 HA PHE 27 HA PHE 27 -2.758 -7.692 -2.579
215 HB2 PHE 27 2HB PHE 27 -1.259 -7.937 -4.433
216 HB3 PHE 27 1HB PHE 27 -0.719 -6.543 -3.520
217 HD1 PHE 27 2HD PHE 27 1.253 -6.939 -1.820
218 HD2 PHE 27 1HD PHE 27 0.330 -9.564 -5.072
219 HE1 PHE 27 2HE PHE 27 3.540 -7.823 -1.771
220 HE2 PHE 27 1HE PHE 27 2.621 -10.437 -5.011
221 HZ PHE 27 HZ PHE 27 4.231 -9.568 -3.362
222 H LYS 28 H LYS 28 -0.341 -9.389 -0.689
223 HA LYS 28 HA LYS 28 -1.553 -11.985 -1.467
224 HB2 LYS 28 2HB LYS 28 0.638 -13.046 -0.873
225 HB3 LYS 28 1HB LYS 28 0.692 -11.987 -2.257
226 HG2 LYS 28 2HG LYS 28 2.677 -11.466 -1.207
227 HG3 LYS 28 1HG LYS 28 1.620 -10.194 -0.598
228 HD2 LYS 28 2HD LYS 28 3.136 -11.214 1.122
229 HD3 LYS 28 1HD LYS 28 1.435 -11.326 1.543
230 HE2 LYS 28 2HE LYS 28 1.439 -13.715 0.729
231 HE3 LYS 28 1HE LYS 28 3.175 -13.562 0.454
232 HZ1 LYS 28 3HZ LYS 28 3.489 -13.167 2.798
233 HZ2 LYS 28 1HZ LYS 28 2.687 -14.629 2.557
234 HZ3 LYS 28 2HZ LYS 28 1.823 -13.274 3.084
235 H CYS 29 H CYS 29 -0.103 -10.216 1.306
236 HA CYS 29 HA CYS 29 -0.783 -12.219 3.226
237 HB2 CYS 29 2HB CYS 29 1.185 -10.890 3.512
238 HB3 CYS 29 1HB CYS 29 0.298 -9.397 3.337
239 H GLY 30 H GLY 30 -2.246 -9.258 2.089
240 HA2 GLY 30 2HA GLY 30 -4.319 -8.349 2.366
241 HA3 GLY 30 1HA GLY 30 -4.802 -9.791 3.252
242 H VAL 31 H VAL 31 -1.977 -8.104 4.448
243 HA VAL 31 HA VAL 31 -3.250 -7.396 6.888
244 HB VAL 31 HB VAL 31 -0.879 -7.792 7.069
245 HG11 VAL 31 1HG1 VAL 31 -0.400 -5.489 5.151
246 HG12 VAL 31 2HG1 VAL 31 -0.145 -7.201 4.807
247 HG13 VAL 31 3HG1 VAL 31 0.848 -6.390 6.019
248 HG21 VAL 31 3HG2 VAL 31 -1.335 -4.803 7.459
249 HG22 VAL 31 1HG2 VAL 31 -0.114 -5.794 8.270
250 HG23 VAL 31 2HG2 VAL 31 -1.834 -6.060 8.592
251 HA PRO 32 HA PRO 32 -5.160 -3.466 5.662
252 HB2 PRO 32 2HB PRO 32 -5.056 -3.204 8.680
253 HB3 PRO 32 1HB PRO 32 -6.402 -2.865 7.566
254 HG2 PRO 32 2HG PRO 32 -6.484 -5.084 8.963
255 HG3 PRO 32 1HG PRO 32 -6.861 -5.142 7.229
256 HD2 PRO 32 2HD PRO 32 -4.300 -5.927 8.592
257 HD3 PRO 32 1HD PRO 32 -5.208 -6.782 7.319
258 H LYS 33 H LYS 33 -4.211 -1.634 5.165
259 HA LYS 33 HA LYS 33 -1.602 -0.886 5.360
260 HB2 LYS 33 2HB LYS 33 -3.290 0.122 3.845
261 HB3 LYS 33 1HB LYS 33 -4.049 0.926 5.218
262 HG2 LYS 33 2HG LYS 33 -1.849 2.165 5.550
263 HG3 LYS 33 1HG LYS 33 -1.324 1.492 4.008
264 HD2 LYS 33 2HD LYS 33 -2.171 3.735 3.637
265 HD3 LYS 33 1HD LYS 33 -3.286 2.578 2.904
266 HE2 LYS 33 2HE LYS 33 -4.777 2.799 4.894
267 HE3 LYS 33 1HE LYS 33 -3.657 3.980 5.576
268 HZ1 LYS 33 3HZ LYS 33 -5.074 4.306 2.984
269 HZ2 LYS 33 1HZ LYS 33 -4.095 5.455 3.748
270 HZ3 LYS 33 2HZ LYS 33 -5.569 5.001 4.442
271 H SER 34 H SER 34 -4.148 -0.311 7.708
272 HA SER 34 HA SER 34 -3.065 1.741 9.268
273 HB2 SER 34 2HB SER 34 -4.710 0.840 11.006
274 HB3 SER 34 1HB SER 34 -5.408 1.198 9.429
275 HG SER 34 HG SER 34 -5.493 -1.096 10.716
276 H GLU 35 H GLU 35 -2.694 -1.800 9.473
277 HA GLU 35 HA GLU 35 -1.307 -1.775 12.004
278 HB2 GLU 35 2HB GLU 35 -1.448 -4.017 9.939
279 HB3 GLU 35 1HB GLU 35 -0.922 -4.177 11.618
280 HG2 GLU 35 2HG GLU 35 -3.266 -3.400 12.273
281 HG3 GLU 35 1HG GLU 35 -3.721 -3.616 10.581
282 H ALA 36 H ALA 36 -0.377 -1.324 8.721
283 HA ALA 36 HA ALA 36 2.435 -1.999 9.093
284 HB1 ALA 36 1HB ALA 36 2.678 -1.368 6.729
285 HB2 ALA 36 2HB ALA 36 1.013 -0.778 6.700
286 HB3 ALA 36 3HB ALA 36 1.336 -2.496 6.939
287 H GLU 37 H GLU 37 0.900 0.967 7.755
288 HA GLU 37 HA GLU 37 2.855 2.645 9.134
289 HB2 GLU 37 2HB GLU 37 1.746 4.538 7.900
290 HB3 GLU 37 1HB GLU 37 2.454 3.309 6.865
291 HG2 GLU 37 2HG GLU 37 0.184 2.373 6.473
292 HG3 GLU 37 1HG GLU 37 -0.497 3.659 7.469
293 H GLN 38 H GLN 38 2.347 2.417 11.267
294 HA GLN 38 HA GLN 38 -0.297 2.586 12.377
295 HB2 GLN 38 2HB GLN 38 2.421 2.772 13.746
296 HB3 GLN 38 1HB GLN 38 0.876 2.502 14.557
297 HG2 GLN 38 2HG GLN 38 0.642 0.329 13.461
298 HG3 GLN 38 1HG GLN 38 2.108 0.611 12.519
299 HE21 GLN 38 1HE2 GLN 38 1.443 -1.534 14.418
300 HE22 GLN 38 2HE2 GLN 38 2.699 -1.515 15.607
301 H LYS 39 H LYS 39 -1.223 4.499 11.838
302 HA LYS 39 HA LYS 39 -0.006 7.057 12.738
303 HB2 LYS 39 2HB LYS 39 -1.756 6.487 10.311
304 HB3 LYS 39 1HB LYS 39 -1.335 8.109 10.856
305 HG2 LYS 39 2HG LYS 39 0.938 7.854 10.257
306 HG3 LYS 39 1HG LYS 39 0.811 6.098 10.144
307 HD2 LYS 39 2HD LYS 39 0.957 7.166 7.926
308 HD3 LYS 39 1HD LYS 39 -0.543 6.266 8.139
309 HE2 LYS 39 2HE LYS 39 -1.691 8.459 8.653
310 HE3 LYS 39 1HE LYS 39 -0.183 9.279 8.231
311 HZ1 LYS 39 3HZ LYS 39 -1.679 9.222 6.352
312 HZ2 LYS 39 1HZ LYS 39 -1.791 7.535 6.442
313 HZ3 LYS 39 2HZ LYS 39 -0.325 8.264 6.027
314 H LEU 40 H LEU 40 -1.354 8.549 13.656
315 HA LEU 40 HA LEU 40 -3.572 7.827 15.185
316 HB2 LEU 40 2HB LEU 40 -3.729 10.137 15.764
317 HB3 LEU 40 1HB LEU 40 -2.029 9.807 15.544
318 HG LEU 40 HG LEU 40 -3.774 11.251 13.489
319 HD11 LEU 40 1HD1 LEU 40 -3.551 12.593 15.524
320 HD12 LEU 40 2HD1 LEU 40 -2.649 13.311 14.190
321 HD13 LEU 40 3HD1 LEU 40 -1.795 12.425 15.458
322 HD21 LEU 40 3HD2 LEU 40 -1.660 11.892 12.417
323 HD22 LEU 40 1HD2 LEU 40 -1.826 10.138 12.466
324 HD23 LEU 40 2HD2 LEU 40 -0.752 10.952 13.605
325 HA PRO 41 HA PRO 41 -7.057 8.220 12.277
326 HB2 PRO 41 2HB PRO 41 -8.763 9.241 14.493
327 HB3 PRO 41 1HB PRO 41 -8.901 7.716 13.595
328 HG2 PRO 41 2HG PRO 41 -8.117 7.741 16.161
329 HG3 PRO 41 1HG PRO 41 -7.429 6.596 14.986
330 HD2 PRO 41 2HD PRO 41 -6.235 9.187 15.992
331 HD3 PRO 41 1HD PRO 41 -5.467 7.589 15.820
332 H LEU 42 H LEU 42 -5.673 10.112 11.472
333 HA LEU 42 HA LEU 42 -6.361 12.817 12.185
334 HB2 LEU 42 2HB LEU 42 -4.067 12.095 11.460
335 HB3 LEU 42 1HB LEU 42 -4.699 11.740 9.864
336 HG LEU 42 HG LEU 42 -5.205 14.157 9.525
337 HD11 LEU 42 1HD1 LEU 42 -5.594 14.831 11.835
338 HD12 LEU 42 2HD1 LEU 42 -4.360 15.844 11.093
339 HD13 LEU 42 3HD1 LEU 42 -3.891 14.571 12.225
340 HD21 LEU 42 3HD2 LEU 42 -2.331 13.616 10.328
341 HD22 LEU 42 1HD2 LEU 42 -2.890 14.937 9.296
342 HD23 LEU 42 2HD2 LEU 42 -3.061 13.268 8.757
343 H GLY 43 H GLY 43 -6.947 10.621 9.475
344 HA2 GLY 43 2HA GLY 43 -9.155 12.359 8.482
345 HA3 GLY 43 1HA GLY 43 -8.128 11.374 7.438
Start of MODEL 18
1 H1 GLY 1 H GLY 1 20.407 5.403 -0.830
2 HA2 GLY 1 1HA GLY 1 21.856 2.988 -0.370
3 HA3 GLY 1 2HA GLY 1 21.326 3.613 1.186
4 H HIS 2 H HIS 2 19.871 3.501 -2.041
5 HA HIS 2 HA HIS 2 17.819 3.030 -2.838
6 HB2 HIS 2 2HB HIS 2 17.156 0.669 -2.678
7 HB3 HIS 2 1HB HIS 2 18.889 0.817 -2.886
8 HD1 HIS 2 1HD HIS 2 16.327 -0.034 -0.207
9 HD2 HIS 2 2HD HIS 2 20.388 -0.489 -0.945
10 HE1 HIS 2 1HE HIS 2 17.177 -1.568 1.586
11 HE2 HIS 2 2HE HIS 2 19.657 -1.635 1.238
12 H MET 3 H MET 3 17.538 4.662 -0.521
13 HA MET 3 HA MET 3 14.851 3.836 0.421
14 HB2 MET 3 2HB MET 3 16.531 3.658 2.277
15 HB3 MET 3 1HB MET 3 16.897 5.370 2.084
16 HG2 MET 3 2HG MET 3 14.618 5.972 2.733
17 HG3 MET 3 1HG MET 3 14.161 4.270 2.809
18 HE1 MET 3 3HE MET 3 13.179 4.608 5.281
19 HE2 MET 3 1HE MET 3 13.592 6.323 5.169
20 HE3 MET 3 2HE MET 3 14.090 5.381 6.574
21 HA PRO 4 HA PRO 4 14.244 7.940 -1.634
22 HB2 PRO 4 2HB PRO 4 11.718 7.357 -2.595
23 HB3 PRO 4 1HB PRO 4 13.202 6.894 -3.457
24 HG2 PRO 4 2HG PRO 4 11.447 5.209 -1.692
25 HG3 PRO 4 1HG PRO 4 12.200 4.801 -3.252
26 HD2 PRO 4 2HD PRO 4 13.265 4.001 -0.869
27 HD3 PRO 4 1HD PRO 4 14.269 4.340 -2.293
28 H LYS 5 H LYS 5 13.173 9.665 -0.710
29 HA LYS 5 HA LYS 5 11.902 9.430 1.844
30 HB2 LYS 5 2HB LYS 5 12.018 11.861 0.001
31 HB3 LYS 5 1HB LYS 5 11.613 11.879 1.717
32 HG2 LYS 5 2HG LYS 5 14.298 11.143 0.509
33 HG3 LYS 5 1HG LYS 5 13.901 12.659 1.330
34 HD2 LYS 5 2HD LYS 5 13.520 11.406 3.445
35 HD3 LYS 5 1HD LYS 5 13.901 9.890 2.618
36 HE2 LYS 5 2HE LYS 5 16.181 10.733 2.161
37 HE3 LYS 5 1HE LYS 5 15.801 12.220 3.035
38 HZ1 LYS 5 3HZ LYS 5 15.756 9.489 4.213
39 HZ2 LYS 5 1HZ LYS 5 15.485 10.933 5.043
40 HZ3 LYS 5 2HZ LYS 5 17.010 10.601 4.400
41 H ILE 6 H ILE 6 10.750 9.187 -1.336
42 HA ILE 6 HA ILE 6 8.074 10.020 -1.107
43 HB ILE 6 HB ILE 6 9.252 7.801 -2.857
44 HG12 ILE 6 2HG1 ILE 6 8.876 9.616 -4.718
45 HG13 ILE 6 1HG1 ILE 6 8.777 10.770 -3.395
46 HG21 ILE 6 1HG2 ILE 6 6.529 9.131 -3.079
47 HG22 ILE 6 2HG2 ILE 6 6.837 7.463 -2.589
48 HG23 ILE 6 3HG2 ILE 6 7.208 7.978 -4.235
49 HD11 ILE 6 3HD1 ILE 6 11.062 10.185 -2.738
50 HD12 ILE 6 1HD1 ILE 6 10.980 10.743 -4.408
51 HD13 ILE 6 2HD1 ILE 6 11.144 9.020 -4.062
52 H ASN 7 H ASN 7 6.897 9.374 0.589
53 HA ASN 7 HA ASN 7 6.998 6.607 1.617
54 HB2 ASN 7 2HB ASN 7 5.682 7.589 3.540
55 HB3 ASN 7 1HB ASN 7 7.277 8.289 3.326
56 HD21 ASN 7 1HD2 ASN 7 7.454 10.419 2.522
57 HD22 ASN 7 2HD2 ASN 7 6.128 11.531 2.599
58 H GLU 8 H GLU 8 5.815 7.219 -0.924
59 HA GLU 8 HA GLU 8 2.959 6.793 -0.589
60 HB2 GLU 8 2HB GLU 8 3.907 8.305 -2.375
61 HB3 GLU 8 1HB GLU 8 4.604 6.892 -3.151
62 HG2 GLU 8 2HG GLU 8 2.528 7.642 -4.258
63 HG3 GLU 8 1HG GLU 8 2.388 6.000 -3.646
64 H ASP 9 H ASP 9 5.300 4.854 0.096
65 HA ASP 9 HA ASP 9 3.783 2.453 -0.695
66 HB2 ASP 9 2HB ASP 9 6.829 2.670 -0.537
67 HB3 ASP 9 1HB ASP 9 5.935 1.171 -0.766
68 H TRP 10 H TRP 10 4.100 0.694 0.878
69 HA TRP 10 HA TRP 10 5.222 1.398 3.495
70 HB2 TRP 10 2HB TRP 10 3.249 0.439 4.693
71 HB3 TRP 10 1HB TRP 10 2.834 1.889 3.794
72 HD1 TRP 10 HD TRP 10 1.562 1.380 1.346
73 HE1 TRP 10 1HE TRP 10 -0.292 -0.318 0.840
74 HE3 TRP 10 3HE TRP 10 2.386 -1.877 5.194
75 HZ2 TRP 10 2HZ TRP 10 -1.274 -2.715 1.911
76 HZ3 TRP 10 3HZ TRP 10 0.943 -3.869 5.373
77 HH2 TRP 10 HH TRP 10 -0.843 -4.283 3.758
78 H LEU 11 H LEU 11 5.976 -0.368 4.644
79 HA LEU 11 HA LEU 11 6.241 -2.915 3.223
80 HB2 LEU 11 2HB LEU 11 7.712 -1.629 5.562
81 HB3 LEU 11 1HB LEU 11 7.877 -3.332 5.215
82 HG LEU 11 HG LEU 11 9.778 -2.162 4.284
83 HD11 LEU 11 1HD1 LEU 11 7.934 -3.036 2.053
84 HD12 LEU 11 2HD1 LEU 11 8.980 -4.076 3.025
85 HD13 LEU 11 3HD1 LEU 11 9.690 -2.867 1.961
86 HD21 LEU 11 3HD2 LEU 11 7.854 -0.454 2.673
87 HD22 LEU 11 1HD2 LEU 11 9.618 -0.431 2.557
88 HD23 LEU 11 2HD2 LEU 11 8.825 0.085 4.044
89 H CYS 12 H CYS 12 5.095 -4.634 3.869
90 HA CYS 12 HA CYS 12 3.009 -4.541 5.721
91 HB2 CYS 12 2HB CYS 12 2.951 -6.189 3.960
92 HB3 CYS 12 1HB CYS 12 4.463 -6.915 4.510
93 H ASN 13 H ASN 13 2.725 -5.564 7.758
94 HA ASN 13 HA ASN 13 5.150 -5.799 9.415
95 HB2 ASN 13 2HB ASN 13 3.608 -5.765 11.369
96 HB3 ASN 13 1HB ASN 13 3.399 -4.368 10.325
97 HD21 ASN 13 1HD2 ASN 13 1.327 -3.913 11.072
98 HD22 ASN 13 2HD2 ASN 13 -0.034 -4.921 10.718
99 H LYS 14 H LYS 14 2.604 -7.777 8.033
100 HA LYS 14 HA LYS 14 3.348 -10.166 9.547
101 HB2 LYS 14 2HB LYS 14 1.276 -9.796 7.346
102 HB3 LYS 14 1HB LYS 14 1.593 -11.322 8.168
103 HG2 LYS 14 2HG LYS 14 1.018 -10.049 10.342
104 HG3 LYS 14 1HG LYS 14 0.351 -8.799 9.289
105 HD2 LYS 14 2HD LYS 14 -0.551 -11.710 9.474
106 HD3 LYS 14 1HD LYS 14 -1.432 -10.294 10.050
107 HE2 LYS 14 2HE LYS 14 -1.694 -9.503 7.739
108 HE3 LYS 14 1HE LYS 14 -0.771 -10.878 7.144
109 HZ1 LYS 14 3HZ LYS 14 -2.510 -12.334 8.076
110 HZ2 LYS 14 1HZ LYS 14 -3.094 -11.303 6.870
111 HZ3 LYS 14 2HZ LYS 14 -3.411 -10.969 8.494
112 H CYS 15 H CYS 15 2.965 -9.696 5.903
113 HA CYS 15 HA CYS 15 4.778 -11.913 5.444
114 HB2 CYS 15 2HB CYS 15 4.341 -11.399 3.044
115 HB3 CYS 15 1HB CYS 15 2.868 -11.589 3.990
116 H GLY 16 H GLY 16 5.004 -8.446 5.547
117 HA2 GLY 16 2HA GLY 16 6.861 -7.123 5.808
118 HA3 GLY 16 1HA GLY 16 7.898 -8.521 5.567
119 H VAL 17 H VAL 17 5.531 -7.971 3.110
120 HA VAL 17 HA VAL 17 7.646 -7.595 1.150
121 HB VAL 17 HB VAL 17 5.931 -7.869 -0.573
122 HG11 VAL 17 1HG1 VAL 17 5.529 -9.855 1.690
123 HG12 VAL 17 2HG1 VAL 17 6.815 -9.905 0.477
124 HG13 VAL 17 3HG1 VAL 17 5.132 -10.128 -0.012
125 HG21 VAL 17 3HG2 VAL 17 4.093 -6.594 0.410
126 HG22 VAL 17 1HG2 VAL 17 3.905 -7.793 1.690
127 HG23 VAL 17 2HG2 VAL 17 3.538 -8.222 0.016
128 H GLN 18 H GLN 18 7.395 -5.979 -0.602
129 HA GLN 18 HA GLN 18 6.973 -3.309 0.497
130 HB2 GLN 18 2HB GLN 18 9.076 -4.035 -0.789
131 HB3 GLN 18 1HB GLN 18 8.092 -4.085 -2.243
132 HG2 GLN 18 2HG GLN 18 8.508 -1.580 -0.563
133 HG3 GLN 18 1HG GLN 18 9.527 -2.014 -1.929
134 HE21 GLN 18 1HE2 GLN 18 6.418 -0.804 -0.945
135 HE22 GLN 18 2HE2 GLN 18 5.891 -0.300 -2.510
136 H ASN 19 H ASN 19 4.854 -2.808 0.478
137 HA ASN 19 HA ASN 19 3.132 -3.371 -1.852
138 HB2 ASN 19 2HB ASN 19 2.131 -2.097 0.716
139 HB3 ASN 19 1HB ASN 19 1.268 -3.105 -0.435
140 HD21 ASN 19 1HD2 ASN 19 1.352 -5.321 -0.190
141 HD22 ASN 19 2HD2 ASN 19 2.018 -6.091 1.200
142 H PHE 20 H PHE 20 1.998 -1.710 -2.868
143 HA PHE 20 HA PHE 20 3.033 0.997 -2.761
144 HB2 PHE 20 2HB PHE 20 2.423 -0.269 -4.883
145 HB3 PHE 20 1HB PHE 20 0.741 -0.194 -4.395
146 HD1 PHE 20 2HD PHE 20 3.003 2.731 -3.949
147 HD2 PHE 20 1HD PHE 20 0.083 0.860 -6.470
148 HE1 PHE 20 2HE PHE 20 2.782 4.802 -5.258
149 HE2 PHE 20 1HE PHE 20 -0.111 2.927 -7.775
150 HZ PHE 20 HZ PHE 20 1.233 4.901 -7.171
151 H LYS 21 H LYS 21 1.862 2.803 -1.855
152 HA LYS 21 HA LYS 21 0.198 1.983 0.335
153 HB2 LYS 21 2HB LYS 21 2.093 3.841 0.207
154 HB3 LYS 21 1HB LYS 21 0.738 4.896 -0.162
155 HG2 LYS 21 2HG LYS 21 -0.354 4.190 1.952
156 HG3 LYS 21 1HG LYS 21 1.015 3.136 2.284
157 HD2 LYS 21 2HD LYS 21 1.313 5.077 3.627
158 HD3 LYS 21 1HD LYS 21 2.486 5.197 2.314
159 HE2 LYS 21 2HE LYS 21 -0.204 6.607 2.281
160 HE3 LYS 21 1HE LYS 21 1.266 7.340 2.913
161 HZ1 LYS 21 3HZ LYS 21 0.827 6.454 0.110
162 HZ2 LYS 21 1HZ LYS 21 2.269 7.091 0.720
163 HZ3 LYS 21 2HZ LYS 21 0.883 8.047 0.664
164 H ARG 22 H ARG 22 -0.684 2.636 -2.755
165 HA ARG 22 HA ARG 22 -3.250 3.872 -2.168
166 HB2 ARG 22 2HB ARG 22 -2.498 2.444 -4.746
167 HB3 ARG 22 1HB ARG 22 -3.715 3.696 -4.512
168 HG2 ARG 22 2HG ARG 22 -0.695 4.008 -4.550
169 HG3 ARG 22 1HG ARG 22 -1.868 4.668 -5.693
170 HD2 ARG 22 2HD ARG 22 -1.603 5.487 -2.782
171 HD3 ARG 22 1HD ARG 22 -0.921 6.363 -4.149
172 HE ARG 22 HE ARG 22 -3.740 6.027 -4.414
173 HH11 ARG 22 1HH1 ARG 22 -1.290 7.958 -2.764
174 HH12 ARG 22 2HH1 ARG 22 -2.325 9.329 -2.579
175 HH21 ARG 22 1HH2 ARG 22 -5.097 7.859 -4.153
176 HH22 ARG 22 2HH2 ARG 22 -4.493 9.279 -3.365
177 H ARG 23 H ARG 23 -1.912 0.794 -1.832
178 HA ARG 23 HA ARG 23 -4.361 -0.732 -2.083
179 HB2 ARG 23 2HB ARG 23 -1.560 -1.445 -1.106
180 HB3 ARG 23 1HB ARG 23 -2.917 -2.536 -0.866
181 HG2 ARG 23 2HG ARG 23 -1.860 -3.317 -2.820
182 HG3 ARG 23 1HG ARG 23 -3.295 -2.462 -3.379
183 HD2 ARG 23 2HD ARG 23 -1.704 -0.423 -3.690
184 HD3 ARG 23 1HD ARG 23 -0.400 -1.604 -3.537
185 HE ARG 23 HE ARG 23 -2.126 -1.176 -5.791
186 HH11 ARG 23 1HH1 ARG 23 -0.075 -3.627 -4.254
187 HH12 ARG 23 2HH1 ARG 23 0.130 -4.527 -5.720
188 HH21 ARG 23 1HH2 ARG 23 -1.807 -2.346 -7.673
189 HH22 ARG 23 2HH2 ARG 23 -0.856 -3.787 -7.665
190 H GLU 24 H GLU 24 -5.789 -1.111 -0.528
191 HA GLU 24 HA GLU 24 -5.775 0.286 1.980
192 HB2 GLU 24 2HB GLU 24 -7.655 -1.983 1.195
193 HB3 GLU 24 1HB GLU 24 -7.979 -0.627 2.275
194 HG2 GLU 24 2HG GLU 24 -7.717 -0.551 -0.754
195 HG3 GLU 24 1HG GLU 24 -9.196 -0.347 0.185
196 H LYS 25 H LYS 25 -5.280 -2.998 0.901
197 HA LYS 25 HA LYS 25 -3.973 -3.737 3.440
198 HB2 LYS 25 2HB LYS 25 -5.960 -5.424 1.840
199 HB3 LYS 25 1HB LYS 25 -4.876 -6.094 3.060
200 HG2 LYS 25 2HG LYS 25 -5.935 -4.676 4.778
201 HG3 LYS 25 1HG LYS 25 -7.044 -4.031 3.556
202 HD2 LYS 25 2HD LYS 25 -8.025 -6.243 3.215
203 HD3 LYS 25 1HD LYS 25 -6.827 -6.986 4.283
204 HE2 LYS 25 2HE LYS 25 -7.714 -5.737 6.174
205 HE3 LYS 25 1HE LYS 25 -8.877 -4.925 5.127
206 HZ1 LYS 25 3HZ LYS 25 -8.793 -7.839 5.706
207 HZ2 LYS 25 1HZ LYS 25 -9.891 -7.073 4.673
208 HZ3 LYS 25 2HZ LYS 25 -9.909 -6.729 6.326
209 H CYS 26 H CYS 26 -2.481 -5.617 3.111
210 HA CYS 26 HA CYS 26 -0.691 -5.359 1.025
211 HB2 CYS 26 2HB CYS 26 -1.282 -7.628 2.921
212 HB3 CYS 26 1HB CYS 26 -0.142 -7.885 1.605
213 H PHE 27 H PHE 27 -0.436 -6.243 -0.943
214 HA PHE 27 HA PHE 27 -2.746 -6.927 -2.440
215 HB2 PHE 27 2HB PHE 27 -1.190 -7.041 -4.373
216 HB3 PHE 27 1HB PHE 27 -0.991 -5.577 -3.428
217 HD1 PHE 27 1HD PHE 27 1.050 -5.185 -2.109
218 HD2 PHE 27 2HD PHE 27 0.623 -8.728 -4.473
219 HE1 PHE 27 1HE PHE 27 3.465 -5.592 -1.952
220 HE2 PHE 27 2HE PHE 27 3.042 -9.126 -4.293
221 HZ PHE 27 HZ PHE 27 4.462 -7.562 -3.037
222 H LYS 28 H LYS 28 -1.067 -8.915 -0.441
223 HA LYS 28 HA LYS 28 -1.887 -11.351 -1.817
224 HB2 LYS 28 2HB LYS 28 0.434 -12.348 -1.432
225 HB3 LYS 28 1HB LYS 28 0.296 -11.166 -2.714
226 HG2 LYS 28 2HG LYS 28 2.278 -10.518 -1.742
227 HG3 LYS 28 1HG LYS 28 1.152 -9.459 -0.911
228 HD2 LYS 28 2HD LYS 28 2.567 -10.229 0.792
229 HD3 LYS 28 1HD LYS 28 1.159 -11.270 0.950
230 HE2 LYS 28 2HE LYS 28 3.771 -12.020 -0.406
231 HE3 LYS 28 1HE LYS 28 3.250 -12.533 1.195
232 HZ1 LYS 28 3HZ LYS 28 1.357 -13.661 0.122
233 HZ2 LYS 28 1HZ LYS 28 2.851 -14.277 -0.363
234 HZ3 LYS 28 2HZ LYS 28 1.982 -13.260 -1.393
235 H CYS 29 H CYS 29 -0.563 -9.858 1.165
236 HA CYS 29 HA CYS 29 -1.235 -12.228 2.742
237 HB2 CYS 29 2HB CYS 29 0.959 -11.165 2.940
238 HB3 CYS 29 1HB CYS 29 0.199 -9.659 3.443
239 H GLY 30 H GLY 30 -2.540 -9.034 2.160
240 HA2 GLY 30 2HA GLY 30 -4.569 -8.131 2.723
241 HA3 GLY 30 1HA GLY 30 -5.008 -9.692 3.388
242 H VAL 31 H VAL 31 -2.231 -7.912 4.694
243 HA VAL 31 HA VAL 31 -3.696 -7.330 7.155
244 HB VAL 31 HB VAL 31 -1.320 -8.018 7.327
245 HG11 VAL 31 1HG1 VAL 31 0.517 -6.516 6.713
246 HG12 VAL 31 2HG1 VAL 31 -0.636 -5.398 5.977
247 HG13 VAL 31 3HG1 VAL 31 -0.416 -7.014 5.298
248 HG21 VAL 31 3HG2 VAL 31 -1.788 -5.191 8.344
249 HG22 VAL 31 1HG2 VAL 31 -0.556 -6.310 8.940
250 HG23 VAL 31 2HG2 VAL 31 -2.265 -6.685 9.156
251 HA PRO 32 HA PRO 32 -5.009 -3.202 5.792
252 HB2 PRO 32 2HB PRO 32 -5.194 -2.074 8.385
253 HB3 PRO 32 1HB PRO 32 -6.497 -2.946 7.545
254 HG2 PRO 32 2HG PRO 32 -4.544 -3.976 9.586
255 HG3 PRO 32 1HG PRO 32 -6.285 -4.312 9.421
256 HD2 PRO 32 2HD PRO 32 -4.488 -6.114 8.597
257 HD3 PRO 32 1HD PRO 32 -5.961 -5.826 7.638
258 H LYS 33 H LYS 33 -3.771 -1.619 5.097
259 HA LYS 33 HA LYS 33 -1.075 -1.146 5.531
260 HB2 LYS 33 2HB LYS 33 -2.297 -0.238 3.615
261 HB3 LYS 33 1HB LYS 33 -3.322 0.725 4.672
262 HG2 LYS 33 2HG LYS 33 -0.911 1.818 5.319
263 HG3 LYS 33 1HG LYS 33 -0.528 1.239 3.693
264 HD2 LYS 33 2HD LYS 33 -1.299 3.535 3.554
265 HD3 LYS 33 1HD LYS 33 -2.504 2.478 2.811
266 HE2 LYS 33 2HE LYS 33 -3.656 4.112 4.182
267 HE3 LYS 33 1HE LYS 33 -3.803 2.553 4.972
268 HZ1 LYS 33 3HZ LYS 33 -2.085 3.160 6.505
269 HZ2 LYS 33 1HZ LYS 33 -3.242 4.387 6.487
270 HZ3 LYS 33 2HZ LYS 33 -1.778 4.606 5.685
271 H SER 34 H SER 34 -3.924 0.212 7.027
272 HA SER 34 HA SER 34 -3.062 2.234 8.649
273 HB2 SER 34 2HB SER 34 -5.396 1.619 8.208
274 HB3 SER 34 1HB SER 34 -5.207 0.117 9.113
275 HG SER 34 HG SER 34 -5.394 1.199 10.950
276 H GLU 35 H GLU 35 -2.613 -1.220 9.154
277 HA GLU 35 HA GLU 35 -1.917 -0.948 11.989
278 HB2 GLU 35 2HB GLU 35 -3.406 -2.802 11.113
279 HB3 GLU 35 1HB GLU 35 -2.018 -3.449 10.242
280 HG2 GLU 35 2HG GLU 35 -0.852 -3.710 12.467
281 HG3 GLU 35 1HG GLU 35 -2.356 -3.226 13.250
282 H ALA 36 H ALA 36 -0.292 -0.996 8.953
283 HA ALA 36 HA ALA 36 2.188 -2.184 9.988
284 HB1 ALA 36 1HB ALA 36 3.002 -2.052 7.685
285 HB2 ALA 36 2HB ALA 36 1.557 -1.156 7.205
286 HB3 ALA 36 3HB ALA 36 1.419 -2.833 7.743
287 H GLU 37 H GLU 37 1.319 0.870 8.296
288 HA GLU 37 HA GLU 37 3.745 2.174 9.361
289 HB2 GLU 37 2HB GLU 37 3.091 3.995 7.649
290 HB3 GLU 37 1HB GLU 37 3.651 2.449 7.043
291 HG2 GLU 37 2HG GLU 37 1.872 3.091 5.635
292 HG3 GLU 37 1HG GLU 37 1.261 1.791 6.642
293 H GLN 38 H GLN 38 0.663 1.790 10.300
294 HA GLN 38 HA GLN 38 -0.650 2.586 11.896
295 HB2 GLN 38 2HB GLN 38 1.296 3.115 13.287
296 HB3 GLN 38 1HB GLN 38 1.496 4.652 12.465
297 HG2 GLN 38 2HG GLN 38 0.484 5.038 14.637
298 HG3 GLN 38 1HG GLN 38 -0.675 5.439 13.377
299 HE21 GLN 38 1HE2 GLN 38 -1.170 4.833 16.191
300 HE22 GLN 38 2HE2 GLN 38 -2.249 3.483 16.229
301 H LYS 39 H LYS 39 -2.503 3.611 11.627
302 HA LYS 39 HA LYS 39 -3.076 5.289 9.470
303 HB2 LYS 39 2HB LYS 39 -5.325 5.617 10.542
304 HB3 LYS 39 1HB LYS 39 -4.822 3.936 10.429
305 HG2 LYS 39 2HG LYS 39 -4.178 3.961 12.813
306 HG3 LYS 39 1HG LYS 39 -4.704 5.647 12.931
307 HD2 LYS 39 2HD LYS 39 -7.021 4.992 12.408
308 HD3 LYS 39 1HD LYS 39 -6.521 3.315 12.161
309 HE2 LYS 39 2HE LYS 39 -5.887 3.149 14.525
310 HE3 LYS 39 1HE LYS 39 -6.347 4.834 14.781
311 HZ1 LYS 39 3HZ LYS 39 -8.616 4.268 14.210
312 HZ2 LYS 39 1HZ LYS 39 -8.084 3.316 15.501
313 HZ3 LYS 39 2HZ LYS 39 -8.193 2.658 13.945
314 H LEU 40 H LEU 40 -3.297 7.430 9.190
315 HA LEU 40 HA LEU 40 -2.078 9.229 11.107
316 HB2 LEU 40 2HB LEU 40 -3.132 9.615 8.276
317 HB3 LEU 40 1HB LEU 40 -2.484 10.932 9.236
318 HG LEU 40 HG LEU 40 -0.256 9.739 9.321
319 HD11 LEU 40 1HD1 LEU 40 -0.976 7.443 8.993
320 HD12 LEU 40 2HD1 LEU 40 0.225 7.902 7.789
321 HD13 LEU 40 3HD1 LEU 40 -1.482 7.814 7.342
322 HD21 LEU 40 3HD2 LEU 40 0.427 10.261 7.035
323 HD22 LEU 40 1HD2 LEU 40 -0.655 11.500 7.666
324 HD23 LEU 40 2HD2 LEU 40 -1.263 10.304 6.517
325 HA PRO 41 HA PRO 41 -6.060 10.596 12.728
326 HB2 PRO 41 2HB PRO 41 -5.323 12.879 14.028
327 HB3 PRO 41 1HB PRO 41 -4.822 11.267 14.595
328 HG2 PRO 41 2HG PRO 41 -3.254 13.264 12.978
329 HG3 PRO 41 1HG PRO 41 -2.735 12.292 14.375
330 HD2 PRO 41 2HD PRO 41 -2.170 11.577 11.786
331 HD3 PRO 41 1HD PRO 41 -2.363 10.389 13.094
332 H LEU 42 H LEU 42 -4.413 12.149 10.255
333 HA LEU 42 HA LEU 42 -6.804 13.615 9.398
334 HB2 LEU 42 2HB LEU 42 -5.280 15.265 10.503
335 HB3 LEU 42 1HB LEU 42 -3.990 14.793 9.414
336 HG LEU 42 HG LEU 42 -5.325 15.695 7.481
337 HD11 LEU 42 1HD1 LEU 42 -7.246 16.677 9.598
338 HD12 LEU 42 2HD1 LEU 42 -7.569 15.441 8.378
339 HD13 LEU 42 3HD1 LEU 42 -7.271 17.104 7.882
340 HD21 LEU 42 3HD2 LEU 42 -3.625 17.079 8.562
341 HD22 LEU 42 1HD2 LEU 42 -4.826 17.694 9.703
342 HD23 LEU 42 2HD2 LEU 42 -4.968 18.060 7.979
343 H GLY 43 H GLY 43 -7.220 12.186 7.775
344 HA2 GLY 43 2HA GLY 43 -5.243 11.006 6.065
345 HA3 GLY 43 1HA GLY 43 -6.988 10.935 5.862
Start of MODEL 19
1 H1 GLY 1 H GLY 1 23.786 6.684 1.027
2 HA2 GLY 1 1HA GLY 1 24.664 4.818 -0.937
3 HA3 GLY 1 2HA GLY 1 23.427 4.042 0.045
4 H HIS 2 H HIS 2 21.979 3.939 -1.704
5 HA HIS 2 HA HIS 2 20.616 6.489 -2.334
6 HB2 HIS 2 2HB HIS 2 21.364 4.295 -4.321
7 HB3 HIS 2 1HB HIS 2 20.186 5.560 -4.675
8 HD1 HIS 2 1HD HIS 2 23.860 4.958 -4.317
9 HD2 HIS 2 2HD HIS 2 21.302 8.129 -5.126
10 HE1 HIS 2 1HE HIS 2 25.333 6.836 -5.090
11 HE2 HIS 2 2HE HIS 2 23.778 8.788 -5.366
12 H MET 3 H MET 3 18.445 6.414 -2.316
13 HA MET 3 HA MET 3 17.020 3.824 -2.066
14 HB2 MET 3 2HB MET 3 16.417 6.431 -0.580
15 HB3 MET 3 1HB MET 3 15.358 5.028 -0.586
16 HG2 MET 3 2HG MET 3 17.081 3.714 0.563
17 HG3 MET 3 1HG MET 3 18.158 5.111 0.562
18 HE1 MET 3 3HE MET 3 16.216 7.587 2.964
19 HE2 MET 3 1HE MET 3 16.072 7.539 1.206
20 HE3 MET 3 2HE MET 3 17.654 7.369 1.973
21 HA PRO 4 HA PRO 4 14.377 5.346 -5.446
22 HB2 PRO 4 2HB PRO 4 12.076 4.254 -3.832
23 HB3 PRO 4 1HB PRO 4 12.510 3.950 -5.529
24 HG2 PRO 4 2HG PRO 4 12.971 2.085 -3.695
25 HG3 PRO 4 1HG PRO 4 14.166 2.400 -4.977
26 HD2 PRO 4 2HD PRO 4 14.219 3.287 -2.095
27 HD3 PRO 4 1HD PRO 4 15.545 2.667 -3.108
28 H LYS 5 H LYS 5 13.495 5.942 -2.070
29 HA LYS 5 HA LYS 5 12.807 7.734 -0.901
30 HB2 LYS 5 2HB LYS 5 13.718 9.285 -3.347
31 HB3 LYS 5 1HB LYS 5 13.305 10.025 -1.802
32 HG2 LYS 5 2HG LYS 5 15.165 8.947 -0.696
33 HG3 LYS 5 1HG LYS 5 15.521 7.969 -2.126
34 HD2 LYS 5 2HD LYS 5 16.088 10.045 -3.382
35 HD3 LYS 5 1HD LYS 5 15.761 11.004 -1.934
36 HE2 LYS 5 2HE LYS 5 17.609 9.969 -0.767
37 HE3 LYS 5 1HE LYS 5 17.863 8.826 -2.090
38 HZ1 LYS 5 3HZ LYS 5 18.433 10.686 -3.526
39 HZ2 LYS 5 1HZ LYS 5 19.457 10.626 -2.182
40 HZ3 LYS 5 2HZ LYS 5 18.215 11.771 -2.252
41 H ILE 6 H ILE 6 11.045 6.525 -3.168
42 HA ILE 6 HA ILE 6 8.779 8.433 -2.931
43 HB ILE 6 HB ILE 6 9.662 8.049 -5.287
44 HG12 ILE 6 2HG1 ILE 6 6.823 7.005 -4.890
45 HG13 ILE 6 1HG1 ILE 6 7.282 8.704 -4.923
46 HG21 ILE 6 1HG2 ILE 6 9.311 5.907 -6.419
47 HG22 ILE 6 2HG2 ILE 6 8.701 5.199 -4.923
48 HG23 ILE 6 3HG2 ILE 6 10.386 5.717 -5.030
49 HD11 ILE 6 3HD1 ILE 6 6.338 8.067 -7.043
50 HD12 ILE 6 1HD1 ILE 6 7.502 6.753 -7.223
51 HD13 ILE 6 2HD1 ILE 6 8.048 8.433 -7.254
52 H ASN 7 H ASN 7 9.755 6.518 -1.010
53 HA ASN 7 HA ASN 7 8.232 4.038 -1.195
54 HB2 ASN 7 2HB ASN 7 10.299 5.004 0.845
55 HB3 ASN 7 1HB ASN 7 9.632 3.375 0.772
56 HD21 ASN 7 1HD2 ASN 7 10.362 1.953 -0.881
57 HD22 ASN 7 2HD2 ASN 7 11.754 2.316 -1.841
58 H GLU 8 H GLU 8 6.678 6.494 -0.777
59 HA GLU 8 HA GLU 8 5.649 6.554 1.886
60 HB2 GLU 8 2HB GLU 8 5.319 8.377 0.165
61 HB3 GLU 8 1HB GLU 8 4.204 7.328 -0.696
62 HG2 GLU 8 2HG GLU 8 2.995 8.988 0.646
63 HG3 GLU 8 1HG GLU 8 2.665 7.356 1.228
64 H ASP 9 H ASP 9 5.318 4.352 -0.709
65 HA ASP 9 HA ASP 9 3.138 2.784 -0.126
66 HB2 ASP 9 2HB ASP 9 5.873 1.551 -0.559
67 HB3 ASP 9 1HB ASP 9 4.326 0.962 -1.126
68 H TRP 10 H TRP 10 2.511 1.797 1.712
69 HA TRP 10 HA TRP 10 4.160 1.875 4.063
70 HB2 TRP 10 2HB TRP 10 2.195 0.724 5.168
71 HB3 TRP 10 1HB TRP 10 1.823 2.262 4.404
72 HD1 TRP 10 HD TRP 10 0.224 2.200 2.217
73 HE1 TRP 10 1HE TRP 10 -1.411 0.416 1.359
74 HE3 TRP 10 3HE TRP 10 1.845 -1.785 4.968
75 HZ2 TRP 10 2HZ TRP 10 -1.949 -2.314 1.788
76 HZ3 TRP 10 3HZ TRP 10 0.720 -3.949 4.693
77 HH2 TRP 10 HH TRP 10 -1.133 -4.208 3.137
78 H LEU 11 H LEU 11 5.320 0.285 4.979
79 HA LEU 11 HA LEU 11 5.833 -2.168 3.479
80 HB2 LEU 11 2HB LEU 11 7.597 -0.525 4.600
81 HB3 LEU 11 1HB LEU 11 7.217 -1.374 6.078
82 HG LEU 11 HG LEU 11 9.334 -2.138 4.941
83 HD11 LEU 11 1HD1 LEU 11 7.257 -4.312 5.207
84 HD12 LEU 11 2HD1 LEU 11 8.256 -3.647 6.501
85 HD13 LEU 11 3HD1 LEU 11 9.010 -4.542 5.183
86 HD21 LEU 11 3HD2 LEU 11 9.246 -3.496 2.912
87 HD22 LEU 11 1HD2 LEU 11 8.609 -1.880 2.609
88 HD23 LEU 11 2HD2 LEU 11 7.503 -3.243 2.790
89 H CYS 12 H CYS 12 4.834 -4.072 4.024
90 HA CYS 12 HA CYS 12 2.879 -4.310 6.036
91 HB2 CYS 12 2HB CYS 12 2.773 -5.718 4.073
92 HB3 CYS 12 1HB CYS 12 4.348 -6.414 4.414
93 H ASN 13 H ASN 13 2.821 -5.521 7.943
94 HA ASN 13 HA ASN 13 5.377 -5.862 9.360
95 HB2 ASN 13 2HB ASN 13 3.887 -6.191 11.388
96 HB3 ASN 13 1HB ASN 13 3.765 -4.611 10.632
97 HD21 ASN 13 1HD2 ASN 13 2.145 -7.677 11.124
98 HD22 ASN 13 2HD2 ASN 13 0.560 -7.127 10.726
99 H LYS 14 H LYS 14 2.778 -7.748 7.931
100 HA LYS 14 HA LYS 14 3.606 -10.243 9.198
101 HB2 LYS 14 2HB LYS 14 1.539 -9.790 7.010
102 HB3 LYS 14 1HB LYS 14 1.836 -11.313 7.841
103 HG2 LYS 14 2HG LYS 14 1.227 -10.048 10.006
104 HG3 LYS 14 1HG LYS 14 0.606 -8.779 8.949
105 HD2 LYS 14 2HD LYS 14 -0.370 -11.665 9.132
106 HD3 LYS 14 1HD LYS 14 -1.243 -10.216 9.629
107 HE2 LYS 14 2HE LYS 14 -1.314 -9.481 7.250
108 HE3 LYS 14 1HE LYS 14 -0.493 -10.965 6.790
109 HZ1 LYS 14 3HZ LYS 14 -2.392 -12.203 7.729
110 HZ2 LYS 14 1HZ LYS 14 -2.824 -11.213 6.426
111 HZ3 LYS 14 2HZ LYS 14 -3.188 -10.739 8.004
112 H CYS 15 H CYS 15 3.162 -9.450 5.628
113 HA CYS 15 HA CYS 15 5.133 -11.511 4.972
114 HB2 CYS 15 2HB CYS 15 4.562 -10.852 2.608
115 HB3 CYS 15 1HB CYS 15 3.180 -11.357 3.574
116 H GLY 16 H GLY 16 5.037 -8.040 5.265
117 HA2 GLY 16 2HA GLY 16 6.762 -6.526 5.392
118 HA3 GLY 16 1HA GLY 16 7.909 -7.816 5.069
119 H VAL 17 H VAL 17 5.202 -7.129 2.932
120 HA VAL 17 HA VAL 17 7.044 -6.602 0.728
121 HB VAL 17 HB VAL 17 5.087 -6.717 -0.760
122 HG11 VAL 17 1HG1 VAL 17 4.471 -9.070 -0.411
123 HG12 VAL 17 2HG1 VAL 17 5.119 -9.011 1.230
124 HG13 VAL 17 3HG1 VAL 17 6.199 -8.815 -0.154
125 HG21 VAL 17 3HG2 VAL 17 3.369 -5.677 0.637
126 HG22 VAL 17 1HG2 VAL 17 3.401 -7.049 1.747
127 HG23 VAL 17 2HG2 VAL 17 2.820 -7.264 0.092
128 H GLN 18 H GLN 18 7.127 -4.748 -0.499
129 HA GLN 18 HA GLN 18 5.836 -2.296 0.452
130 HB2 GLN 18 2HB GLN 18 8.210 -2.109 -0.113
131 HB3 GLN 18 1HB GLN 18 7.945 -2.802 -1.705
132 HG2 GLN 18 2HG GLN 18 6.652 -0.832 -2.354
133 HG3 GLN 18 1HG GLN 18 6.826 -0.153 -0.745
134 HE21 GLN 18 1HE2 GLN 18 7.722 1.732 -1.717
135 HE22 GLN 18 2HE2 GLN 18 9.348 1.756 -2.294
136 H ASN 19 H ASN 19 3.821 -1.956 -0.290
137 HA ASN 19 HA ASN 19 2.785 -3.236 -2.700
138 HB2 ASN 19 2HB ASN 19 0.615 -2.507 -1.929
139 HB3 ASN 19 1HB ASN 19 1.493 -3.056 -0.508
140 HD21 ASN 19 1HD2 ASN 19 2.614 -1.320 0.735
141 HD22 ASN 19 2HD2 ASN 19 1.802 0.186 0.898
142 H PHE 20 H PHE 20 0.988 -1.320 -3.695
143 HA PHE 20 HA PHE 20 2.828 0.570 -5.005
144 HB2 PHE 20 2HB PHE 20 1.479 -0.958 -6.446
145 HB3 PHE 20 1HB PHE 20 -0.000 -0.251 -5.808
146 HD1 PHE 20 2HD PHE 20 3.223 1.104 -7.210
147 HD2 PHE 20 1HD PHE 20 -1.055 1.168 -7.370
148 HE1 PHE 20 2HE PHE 20 3.307 2.861 -8.935
149 HE2 PHE 20 1HE PHE 20 -0.960 2.935 -9.088
150 HZ PHE 20 HZ PHE 20 1.220 3.781 -9.868
151 H LYS 21 H LYS 21 2.173 1.229 -2.387
152 HA LYS 21 HA LYS 21 1.273 2.628 -0.883
153 HB2 LYS 21 2HB LYS 21 1.823 4.933 -1.309
154 HB3 LYS 21 1HB LYS 21 3.015 3.916 -2.058
155 HG2 LYS 21 2HG LYS 21 2.155 4.326 -4.261
156 HG3 LYS 21 1HG LYS 21 0.753 5.152 -3.602
157 HD2 LYS 21 2HD LYS 21 2.454 6.712 -4.538
158 HD3 LYS 21 1HD LYS 21 2.124 7.004 -2.829
159 HE2 LYS 21 2HE LYS 21 4.541 7.142 -3.373
160 HE3 LYS 21 1HE LYS 21 4.200 5.872 -2.200
161 HZ1 LYS 21 3HZ LYS 21 4.742 5.509 -5.101
162 HZ2 LYS 21 1HZ LYS 21 4.307 4.260 -4.051
163 HZ3 LYS 21 2HZ LYS 21 5.761 5.087 -3.819
164 H ARG 22 H ARG 22 -0.889 1.630 -2.869
165 HA ARG 22 HA ARG 22 -2.923 3.740 -2.397
166 HB2 ARG 22 2HB ARG 22 -2.815 1.701 -4.675
167 HB3 ARG 22 1HB ARG 22 -4.120 2.846 -4.406
168 HG2 ARG 22 2HG ARG 22 -1.266 3.503 -5.195
169 HG3 ARG 22 1HG ARG 22 -2.704 3.628 -6.207
170 HD2 ARG 22 2HD ARG 22 -2.103 5.280 -3.737
171 HD3 ARG 22 1HD ARG 22 -2.002 5.828 -5.412
172 HE ARG 22 HE ARG 22 -4.595 4.822 -4.713
173 HH11 ARG 22 1HH1 ARG 22 -2.581 7.722 -4.607
174 HH12 ARG 22 2HH1 ARG 22 -3.938 8.792 -4.520
175 HH21 ARG 22 1HH2 ARG 22 -6.353 6.242 -4.595
176 HH22 ARG 22 2HH2 ARG 22 -6.075 7.950 -4.510
177 H ARG 23 H ARG 23 -2.017 0.429 -1.951
178 HA ARG 23 HA ARG 23 -4.585 -0.776 -1.833
179 HB2 ARG 23 2HB ARG 23 -1.903 -1.749 -0.745
180 HB3 ARG 23 1HB ARG 23 -3.353 -2.736 -0.856
181 HG2 ARG 23 2HG ARG 23 -1.833 -1.539 -3.196
182 HG3 ARG 23 1HG ARG 23 -1.811 -3.229 -2.692
183 HD2 ARG 23 2HD ARG 23 -4.255 -3.375 -3.194
184 HD3 ARG 23 1HD ARG 23 -4.212 -1.701 -3.760
185 HE ARG 23 HE ARG 23 -2.299 -3.352 -5.113
186 HH11 ARG 23 1HH1 ARG 23 -5.721 -2.490 -5.107
187 HH12 ARG 23 2HH1 ARG 23 -5.945 -2.904 -6.773
188 HH21 ARG 23 1HH2 ARG 23 -2.653 -3.926 -7.301
189 HH22 ARG 23 2HH2 ARG 23 -4.224 -3.708 -8.001
190 H GLU 24 H GLU 24 -5.917 -1.184 -0.178
191 HA GLU 24 HA GLU 24 -5.726 0.200 2.342
192 HB2 GLU 24 2HB GLU 24 -7.882 -0.082 1.178
193 HB3 GLU 24 1HB GLU 24 -7.734 -1.832 1.263
194 HG2 GLU 24 2HG GLU 24 -7.946 -1.736 3.725
195 HG3 GLU 24 1HG GLU 24 -8.046 0.022 3.647
196 H LYS 25 H LYS 25 -5.325 -3.076 1.150
197 HA LYS 25 HA LYS 25 -3.906 -3.874 3.605
198 HB2 LYS 25 2HB LYS 25 -6.010 -5.584 2.199
199 HB3 LYS 25 1HB LYS 25 -4.915 -6.164 3.455
200 HG2 LYS 25 2HG LYS 25 -5.940 -4.587 5.065
201 HG3 LYS 25 1HG LYS 25 -7.064 -4.049 3.812
202 HD2 LYS 25 2HD LYS 25 -6.859 -6.852 4.988
203 HD3 LYS 25 1HD LYS 25 -8.155 -5.687 5.274
204 HE2 LYS 25 2HE LYS 25 -8.746 -5.797 2.855
205 HE3 LYS 25 1HE LYS 25 -7.485 -7.010 2.623
206 HZ1 LYS 25 3HZ LYS 25 -9.951 -7.277 4.248
207 HZ2 LYS 25 1HZ LYS 25 -8.687 -8.394 4.289
208 HZ3 LYS 25 2HZ LYS 25 -9.537 -8.135 2.857
209 H CYS 26 H CYS 26 -2.549 -5.840 3.204
210 HA CYS 26 HA CYS 26 -0.858 -5.550 1.019
211 HB2 CYS 26 2HB CYS 26 -1.240 -7.791 3.002
212 HB3 CYS 26 1HB CYS 26 -0.149 -8.018 1.643
213 H PHE 27 H PHE 27 -0.623 -6.534 -0.921
214 HA PHE 27 HA PHE 27 -3.031 -7.367 -2.251
215 HB2 PHE 27 2HB PHE 27 -1.650 -7.213 -4.309
216 HB3 PHE 27 1HB PHE 27 -1.532 -5.769 -3.321
217 HD1 PHE 27 2HD PHE 27 0.588 -5.177 -2.184
218 HD2 PHE 27 1HD PHE 27 0.314 -8.687 -4.627
219 HE1 PHE 27 2HE PHE 27 3.043 -5.339 -2.246
220 HE2 PHE 27 1HE PHE 27 2.768 -8.833 -4.682
221 HZ PHE 27 HZ PHE 27 4.133 -7.164 -3.489
222 H LYS 28 H LYS 28 -1.256 -9.247 -0.359
223 HA LYS 28 HA LYS 28 -1.764 -11.701 -1.800
224 HB2 LYS 28 2HB LYS 28 0.683 -12.475 -1.503
225 HB3 LYS 28 1HB LYS 28 0.328 -11.364 -2.810
226 HG2 LYS 28 2HG LYS 28 2.310 -10.515 -1.970
227 HG3 LYS 28 1HG LYS 28 1.115 -9.497 -1.190
228 HD2 LYS 28 2HD LYS 28 2.719 -9.998 0.470
229 HD3 LYS 28 1HD LYS 28 1.350 -11.039 0.837
230 HE2 LYS 28 2HE LYS 28 3.803 -11.964 -0.698
231 HE3 LYS 28 1HE LYS 28 3.615 -12.134 1.044
232 HZ1 LYS 28 3HZ LYS 28 2.022 -13.449 -1.081
233 HZ2 LYS 28 1HZ LYS 28 1.547 -13.431 0.541
234 HZ3 LYS 28 2HZ LYS 28 2.994 -14.170 0.094
235 H CYS 29 H CYS 29 -0.570 -10.084 1.123
236 HA CYS 29 HA CYS 29 -0.966 -12.519 2.728
237 HB2 CYS 29 2HB CYS 29 1.189 -11.266 2.750
238 HB3 CYS 29 1HB CYS 29 0.340 -9.875 3.420
239 H GLY 30 H GLY 30 -2.239 -9.269 2.303
240 HA2 GLY 30 2HA GLY 30 -4.101 -8.219 3.066
241 HA3 GLY 30 1HA GLY 30 -4.684 -9.783 3.599
242 H VAL 31 H VAL 31 -2.114 -7.450 4.627
243 HA VAL 31 HA VAL 31 -3.370 -7.397 7.312
244 HB VAL 31 HB VAL 31 -0.901 -7.887 7.299
245 HG11 VAL 31 1HG1 VAL 31 0.734 -6.110 6.825
246 HG12 VAL 31 2HG1 VAL 31 -0.566 -5.062 6.247
247 HG13 VAL 31 3HG1 VAL 31 -0.182 -6.549 5.382
248 HG21 VAL 31 3HG2 VAL 31 -1.667 -5.268 8.631
249 HG22 VAL 31 1HG2 VAL 31 -0.291 -6.289 9.079
250 HG23 VAL 31 2HG2 VAL 31 -1.940 -6.888 9.277
251 HA PRO 32 HA PRO 32 -5.103 -3.333 6.243
252 HB2 PRO 32 2HB PRO 32 -4.683 -2.794 9.186
253 HB3 PRO 32 1HB PRO 32 -6.137 -2.551 8.196
254 HG2 PRO 32 2HG PRO 32 -5.999 -4.611 9.872
255 HG3 PRO 32 1HG PRO 32 -6.738 -4.799 8.270
256 HD2 PRO 32 2HD PRO 32 -4.045 -5.719 9.206
257 HD3 PRO 32 1HD PRO 32 -5.182 -6.502 8.085
258 H LYS 33 H LYS 33 -4.186 -1.474 5.602
259 HA LYS 33 HA LYS 33 -1.509 -0.727 5.745
260 HB2 LYS 33 2HB LYS 33 -3.008 0.204 4.063
261 HB3 LYS 33 1HB LYS 33 -4.066 0.875 5.297
262 HG2 LYS 33 2HG LYS 33 -1.766 2.206 5.916
263 HG3 LYS 33 1HG LYS 33 -1.494 1.931 4.198
264 HD2 LYS 33 2HD LYS 33 -2.544 4.101 4.550
265 HD3 LYS 33 1HD LYS 33 -3.659 3.034 3.688
266 HE2 LYS 33 2HE LYS 33 -4.840 4.289 5.438
267 HE3 LYS 33 1HE LYS 33 -4.845 2.578 5.833
268 HZ1 LYS 33 3HZ LYS 33 -4.354 3.955 7.751
269 HZ2 LYS 33 1HZ LYS 33 -3.002 4.609 6.973
270 HZ3 LYS 33 2HZ LYS 33 -3.031 2.971 7.377
271 H SER 34 H SER 34 -4.331 0.264 7.650
272 HA SER 34 HA SER 34 -3.088 2.125 9.349
273 HB2 SER 34 2HB SER 34 -5.614 0.482 9.775
274 HB3 SER 34 1HB SER 34 -5.193 1.974 10.630
275 HG SER 34 HG SER 34 -6.566 2.430 8.902
276 H GLU 35 H GLU 35 -3.090 -1.351 9.408
277 HA GLU 35 HA GLU 35 -2.203 -1.531 12.203
278 HB2 GLU 35 2HB GLU 35 -3.884 -3.158 11.346
279 HB3 GLU 35 1HB GLU 35 -2.721 -3.741 10.162
280 HG2 GLU 35 2HG GLU 35 -1.303 -4.647 11.925
281 HG3 GLU 35 1HG GLU 35 -2.313 -3.914 13.170
282 H ALA 36 H ALA 36 -0.858 -1.298 9.025
283 HA ALA 36 HA ALA 36 1.698 -2.567 9.716
284 HB1 ALA 36 1HB ALA 36 0.823 -1.190 7.150
285 HB2 ALA 36 2HB ALA 36 0.756 -2.925 7.474
286 HB3 ALA 36 3HB ALA 36 2.317 -2.108 7.384
287 H GLU 37 H GLU 37 0.581 0.670 8.680
288 HA GLU 37 HA GLU 37 2.944 1.932 9.932
289 HB2 GLU 37 2HB GLU 37 2.060 4.035 8.667
290 HB3 GLU 37 1HB GLU 37 2.850 2.766 7.754
291 HG2 GLU 37 2HG GLU 37 1.093 3.266 6.371
292 HG3 GLU 37 1HG GLU 37 0.429 1.920 7.277
293 H GLN 38 H GLN 38 2.528 3.984 11.119
294 HA GLN 38 HA GLN 38 0.086 3.798 12.779
295 HB2 GLN 38 2HB GLN 38 2.893 4.616 13.663
296 HB3 GLN 38 1HB GLN 38 1.453 4.695 14.674
297 HG2 GLN 38 2HG GLN 38 1.219 2.229 14.494
298 HG3 GLN 38 1HG GLN 38 2.696 2.175 13.534
299 HE21 GLN 38 1HE2 GLN 38 1.370 2.608 16.729
300 HE22 GLN 38 2HE2 GLN 38 2.870 2.529 17.581
301 H LYS 39 H LYS 39 -1.072 5.342 11.613
302 HA LYS 39 HA LYS 39 -0.156 8.084 11.438
303 HB2 LYS 39 2HB LYS 39 -2.931 6.862 11.080
304 HB3 LYS 39 1HB LYS 39 -2.564 8.566 10.834
305 HG2 LYS 39 2HG LYS 39 -1.382 6.263 9.248
306 HG3 LYS 39 1HG LYS 39 -2.676 7.339 8.708
307 HD2 LYS 39 2HD LYS 39 -1.096 9.275 8.888
308 HD3 LYS 39 1HD LYS 39 0.195 8.151 9.328
309 HE2 LYS 39 2HE LYS 39 0.271 8.787 6.929
310 HE3 LYS 39 1HE LYS 39 0.016 7.054 7.141
311 HZ1 LYS 39 3HZ LYS 39 -1.437 7.956 5.439
312 HZ2 LYS 39 1HZ LYS 39 -2.097 9.062 6.532
313 HZ3 LYS 39 2HZ LYS 39 -2.351 7.406 6.746
314 H LEU 40 H LEU 40 0.299 8.954 13.406
315 HA LEU 40 HA LEU 40 -1.260 8.727 15.753
316 HB2 LEU 40 2HB LEU 40 0.046 10.837 16.426
317 HB3 LEU 40 1HB LEU 40 0.972 9.404 16.062
318 HG LEU 40 HG LEU 40 1.392 10.439 13.732
319 HD11 LEU 40 1HD1 LEU 40 0.478 12.982 15.095
320 HD12 LEU 40 2HD1 LEU 40 -0.306 12.186 13.729
321 HD13 LEU 40 3HD1 LEU 40 1.303 12.875 13.534
322 HD21 LEU 40 3HD2 LEU 40 3.285 11.768 14.521
323 HD22 LEU 40 1HD2 LEU 40 3.126 10.269 15.434
324 HD23 LEU 40 2HD2 LEU 40 2.602 11.796 16.151
325 HA PRO 41 HA PRO 41 -4.821 11.251 14.837
326 HB2 PRO 41 2HB PRO 41 -5.279 12.549 17.279
327 HB3 PRO 41 1HB PRO 41 -5.696 10.855 16.950
328 HG2 PRO 41 2HG PRO 41 -3.277 11.954 18.346
329 HG3 PRO 41 1HG PRO 41 -4.298 10.566 18.793
330 HD2 PRO 41 2HD PRO 41 -1.935 10.194 17.571
331 HD3 PRO 41 1HD PRO 41 -3.325 9.158 17.188
332 H LEU 42 H LEU 42 -4.199 12.761 13.313
333 HA LEU 42 HA LEU 42 -2.836 15.216 13.948
334 HB2 LEU 42 2HB LEU 42 -4.515 14.475 11.500
335 HB3 LEU 42 1HB LEU 42 -3.661 15.992 11.675
336 HG LEU 42 HG LEU 42 -2.328 14.687 10.222
337 HD11 LEU 42 1HD1 LEU 42 -1.003 15.848 11.897
338 HD12 LEU 42 2HD1 LEU 42 -0.217 14.364 11.369
339 HD13 LEU 42 3HD1 LEU 42 -1.027 14.420 12.936
340 HD21 LEU 42 3HD2 LEU 42 -2.503 12.353 12.133
341 HD22 LEU 42 1HD2 LEU 42 -1.588 12.391 10.623
342 HD23 LEU 42 2HD2 LEU 42 -3.346 12.506 10.593
343 H GLY 43 H GLY 43 -3.753 16.873 15.058
344 HA2 GLY 43 2HA GLY 43 -5.264 18.432 15.800
345 HA3 GLY 43 1HA GLY 43 -6.351 17.926 14.519
Start of MODEL 20
1 H1 GLY 1 H GLY 1 19.531 1.946 0.829
2 HA2 GLY 1 1HA GLY 1 21.250 -0.271 0.298
3 HA3 GLY 1 2HA GLY 1 21.469 0.205 1.980
4 H HIS 2 H HIS 2 18.986 -0.646 -0.420
5 HA HIS 2 HA HIS 2 16.812 -1.245 -0.314
6 HB2 HIS 2 2HB HIS 2 16.426 -3.513 0.637
7 HB3 HIS 2 1HB HIS 2 17.882 -3.420 -0.342
8 HD1 HIS 2 1HD HIS 2 16.727 -3.924 3.215
9 HD2 HIS 2 2HD HIS 2 20.291 -3.997 1.076
10 HE1 HIS 2 1HE HIS 2 18.415 -4.979 4.747
11 HE2 HIS 2 2HE HIS 2 20.575 -4.931 3.448
12 H MET 3 H MET 3 16.114 0.709 0.729
13 HA MET 3 HA MET 3 14.752 0.252 3.295
14 HB2 MET 3 2HB MET 3 16.926 1.242 3.928
15 HB3 MET 3 1HB MET 3 16.706 2.555 2.778
16 HG2 MET 3 2HG MET 3 14.787 3.385 4.107
17 HG3 MET 3 1HG MET 3 15.016 2.063 5.254
18 HE1 MET 3 3HE MET 3 18.419 3.020 6.951
19 HE2 MET 3 1HE MET 3 18.172 1.872 5.634
20 HE3 MET 3 2HE MET 3 17.035 1.930 6.982
21 HA PRO 4 HA PRO 4 11.438 2.618 1.165
22 HB2 PRO 4 2HB PRO 4 10.880 3.488 4.010
23 HB3 PRO 4 1HB PRO 4 9.751 2.904 2.764
24 HG2 PRO 4 2HG PRO 4 10.472 1.268 4.705
25 HG3 PRO 4 1HG PRO 4 10.383 0.661 3.034
26 HD2 PRO 4 2HD PRO 4 12.828 1.387 4.643
27 HD3 PRO 4 1HD PRO 4 12.583 0.045 3.504
28 H LYS 5 H LYS 5 12.878 4.063 0.131
29 HA LYS 5 HA LYS 5 13.394 6.651 1.476
30 HB2 LYS 5 2HB LYS 5 15.463 5.518 0.758
31 HB3 LYS 5 1HB LYS 5 14.828 5.348 -0.877
32 HG2 LYS 5 2HG LYS 5 14.789 7.838 -1.085
33 HG3 LYS 5 1HG LYS 5 15.524 7.954 0.518
34 HD2 LYS 5 2HD LYS 5 17.535 6.785 -0.292
35 HD3 LYS 5 1HD LYS 5 16.789 6.550 -1.875
36 HE2 LYS 5 2HE LYS 5 16.732 9.018 -2.177
37 HE3 LYS 5 1HE LYS 5 17.543 9.213 -0.624
38 HZ1 LYS 5 3HZ LYS 5 18.655 7.811 -2.995
39 HZ2 LYS 5 1HZ LYS 5 19.432 8.003 -1.508
40 HZ3 LYS 5 2HZ LYS 5 19.096 9.353 -2.466
41 H ILE 6 H ILE 6 13.103 5.643 -1.975
42 HA ILE 6 HA ILE 6 11.668 8.078 -2.582
43 HB ILE 6 HB ILE 6 13.359 7.180 -4.178
44 HG12 ILE 6 2HG1 ILE 6 10.561 7.356 -5.392
45 HG13 ILE 6 1HG1 ILE 6 11.551 8.734 -4.935
46 HG21 ILE 6 1HG2 ILE 6 12.873 5.256 -5.632
47 HG22 ILE 6 2HG2 ILE 6 11.380 4.946 -4.744
48 HG23 ILE 6 3HG2 ILE 6 12.938 4.767 -3.937
49 HD11 ILE 6 3HD1 ILE 6 11.595 8.362 -7.323
50 HD12 ILE 6 1HD1 ILE 6 12.225 6.731 -7.086
51 HD13 ILE 6 2HD1 ILE 6 13.196 8.132 -6.622
52 H ASN 7 H ASN 7 10.883 4.660 -2.169
53 HA ASN 7 HA ASN 7 8.171 4.819 -3.082
54 HB2 ASN 7 2HB ASN 7 7.901 2.572 -2.133
55 HB3 ASN 7 1HB ASN 7 9.425 2.665 -3.006
56 HD21 ASN 7 1HD2 ASN 7 7.935 2.408 0.155
57 HD22 ASN 7 2HD2 ASN 7 9.357 1.908 0.990
58 H GLU 8 H GLU 8 6.332 5.288 -1.937
59 HA GLU 8 HA GLU 8 6.687 6.464 0.759
60 HB2 GLU 8 2HB GLU 8 6.267 8.105 -1.058
61 HB3 GLU 8 1HB GLU 8 4.776 7.280 -1.477
62 HG2 GLU 8 2HG GLU 8 4.321 9.337 -0.237
63 HG3 GLU 8 1HG GLU 8 3.789 7.931 0.673
64 H ASP 9 H ASP 9 5.535 3.716 -0.554
65 HA ASP 9 HA ASP 9 2.976 3.418 0.635
66 HB2 ASP 9 2HB ASP 9 3.242 1.063 0.125
67 HB3 ASP 9 1HB ASP 9 3.829 2.000 -1.232
68 H TRP 10 H TRP 10 2.869 1.292 2.120
69 HA TRP 10 HA TRP 10 4.452 1.826 4.577
70 HB2 TRP 10 2HB TRP 10 2.486 0.576 5.711
71 HB3 TRP 10 1HB TRP 10 2.136 2.184 5.089
72 HD1 TRP 10 HD TRP 10 0.458 2.345 2.948
73 HE1 TRP 10 1HE TRP 10 -1.270 0.688 2.003
74 HE3 TRP 10 3HE TRP 10 2.059 -1.917 5.257
75 HZ2 TRP 10 2HZ TRP 10 -1.867 -2.057 2.202
76 HZ3 TRP 10 3HZ TRP 10 0.879 -4.015 4.812
77 HH2 TRP 10 HH TRP 10 -1.043 -4.094 3.305
78 H LEU 11 H LEU 11 5.758 0.194 5.280
79 HA LEU 11 HA LEU 11 6.007 -2.210 3.669
80 HB2 LEU 11 2HB LEU 11 7.937 -0.735 4.735
81 HB3 LEU 11 1HB LEU 11 7.628 -1.667 6.182
82 HG LEU 11 HG LEU 11 9.575 -2.508 4.840
83 HD11 LEU 11 1HD1 LEU 11 8.460 -4.072 6.339
84 HD12 LEU 11 2HD1 LEU 11 9.078 -4.890 4.906
85 HD13 LEU 11 3HD1 LEU 11 7.350 -4.548 5.049
86 HD21 LEU 11 3HD2 LEU 11 7.525 -3.250 2.720
87 HD22 LEU 11 1HD2 LEU 11 9.240 -3.674 2.710
88 HD23 LEU 11 2HD2 LEU 11 8.752 -1.986 2.583
89 H CYS 12 H CYS 12 4.935 -4.066 4.140
90 HA CYS 12 HA CYS 12 3.058 -4.353 6.208
91 HB2 CYS 12 2HB CYS 12 2.826 -5.691 4.193
92 HB3 CYS 12 1HB CYS 12 4.381 -6.464 4.455
93 H ASN 13 H ASN 13 2.987 -5.832 8.004
94 HA ASN 13 HA ASN 13 5.608 -6.378 9.260
95 HB2 ASN 13 2HB ASN 13 4.479 -6.434 11.405
96 HB3 ASN 13 1HB ASN 13 4.026 -4.957 10.575
97 HD21 ASN 13 1HD2 ASN 13 1.887 -4.675 9.930
98 HD22 ASN 13 2HD2 ASN 13 0.612 -5.709 10.466
99 H LYS 14 H LYS 14 2.704 -7.871 8.011
100 HA LYS 14 HA LYS 14 3.203 -10.477 9.173
101 HB2 LYS 14 2HB LYS 14 1.247 -9.645 6.986
102 HB3 LYS 14 1HB LYS 14 1.303 -11.237 7.741
103 HG2 LYS 14 2HG LYS 14 0.830 -10.044 9.967
104 HG3 LYS 14 1HG LYS 14 0.485 -8.599 9.007
105 HD2 LYS 14 2HD LYS 14 -1.231 -10.012 7.731
106 HD3 LYS 14 1HD LYS 14 -0.980 -11.271 8.941
107 HE2 LYS 14 2HE LYS 14 -2.087 -8.479 9.411
108 HE3 LYS 14 1HE LYS 14 -2.980 -9.997 9.484
109 HZ1 LYS 14 3HZ LYS 14 -1.540 -10.628 11.383
110 HZ2 LYS 14 1HZ LYS 14 -2.497 -9.263 11.682
111 HZ3 LYS 14 2HZ LYS 14 -0.854 -9.081 11.339
112 H CYS 15 H CYS 15 2.948 -9.509 5.626
113 HA CYS 15 HA CYS 15 4.692 -11.732 4.907
114 HB2 CYS 15 2HB CYS 15 4.263 -10.967 2.588
115 HB3 CYS 15 1HB CYS 15 2.780 -11.235 3.495
116 H GLY 16 H GLY 16 4.836 -8.233 5.134
117 HA2 GLY 16 2HA GLY 16 6.664 -6.863 5.454
118 HA3 GLY 16 1HA GLY 16 7.747 -8.217 5.158
119 H VAL 17 H VAL 17 5.145 -7.227 2.941
120 HA VAL 17 HA VAL 17 7.138 -6.892 0.811
121 HB VAL 17 HB VAL 17 5.286 -6.904 -0.794
122 HG11 VAL 17 1HG1 VAL 17 6.193 -9.057 -0.042
123 HG12 VAL 17 2HG1 VAL 17 4.477 -9.197 -0.431
124 HG13 VAL 17 3HG1 VAL 17 4.995 -9.124 1.256
125 HG21 VAL 17 3HG2 VAL 17 2.925 -7.224 -0.086
126 HG22 VAL 17 1HG2 VAL 17 3.576 -5.683 0.482
127 HG23 VAL 17 2HG2 VAL 17 3.412 -7.035 1.602
128 H GLN 18 H GLN 18 7.208 -5.149 -0.583
129 HA GLN 18 HA GLN 18 6.353 -2.509 0.353
130 HB2 GLN 18 2HB GLN 18 8.691 -2.871 -0.431
131 HB3 GLN 18 1HB GLN 18 8.113 -3.407 -1.996
132 HG2 GLN 18 2HG GLN 18 7.481 -0.626 -1.001
133 HG3 GLN 18 1HG GLN 18 9.052 -0.978 -1.718
134 HE21 GLN 18 1HE2 GLN 18 6.987 0.839 -2.669
135 HE22 GLN 18 2HE2 GLN 18 6.560 0.324 -4.260
136 H ASN 19 H ASN 19 4.459 -1.647 -0.425
137 HA ASN 19 HA ASN 19 3.152 -2.908 -2.784
138 HB2 ASN 19 2HB ASN 19 0.994 -2.340 -1.738
139 HB3 ASN 19 1HB ASN 19 1.964 -3.345 -0.676
140 HD21 ASN 19 1HD2 ASN 19 2.803 -2.458 1.187
141 HD22 ASN 19 2HD2 ASN 19 2.236 -0.971 1.850
142 H PHE 20 H PHE 20 1.096 -0.977 -3.121
143 HA PHE 20 HA PHE 20 2.668 1.065 -4.567
144 HB2 PHE 20 2HB PHE 20 1.185 -0.595 -5.779
145 HB3 PHE 20 1HB PHE 20 -0.209 0.146 -4.991
146 HD1 PHE 20 1HD PHE 20 2.831 1.405 -6.834
147 HD2 PHE 20 2HD PHE 20 -1.432 1.548 -6.446
148 HE1 PHE 20 1HE PHE 20 2.717 3.072 -8.660
149 HE2 PHE 20 2HE PHE 20 -1.534 3.211 -8.270
150 HZ PHE 20 HZ PHE 20 0.536 3.969 -9.373
151 H LYS 21 H LYS 21 1.740 1.192 -1.707
152 HA LYS 21 HA LYS 21 0.889 2.482 -0.148
153 HB2 LYS 21 2HB LYS 21 2.187 4.256 -1.439
154 HB3 LYS 21 1HB LYS 21 0.648 4.755 -2.137
155 HG2 LYS 21 2HG LYS 21 -0.228 5.229 0.134
156 HG3 LYS 21 1HG LYS 21 1.314 4.698 0.813
157 HD2 LYS 21 2HD LYS 21 2.446 6.569 -0.415
158 HD3 LYS 21 1HD LYS 21 0.863 7.115 -0.983
159 HE2 LYS 21 2HE LYS 21 1.669 6.911 1.942
160 HE3 LYS 21 1HE LYS 21 1.707 8.398 0.993
161 HZ1 LYS 21 3HZ LYS 21 -0.676 8.238 0.691
162 HZ2 LYS 21 1HZ LYS 21 -0.287 8.221 2.336
163 HZ3 LYS 21 2HZ LYS 21 -0.725 6.786 1.561
164 H ARG 22 H ARG 22 -1.083 2.797 -3.121
165 HA ARG 22 HA ARG 22 -3.516 3.353 -1.707
166 HB2 ARG 22 2HB ARG 22 -3.092 2.518 -4.607
167 HB3 ARG 22 1HB ARG 22 -4.594 3.133 -3.931
168 HG2 ARG 22 2HG ARG 22 -1.988 4.664 -4.258
169 HG3 ARG 22 1HG ARG 22 -3.484 4.895 -5.172
170 HD2 ARG 22 2HD ARG 22 -4.635 5.665 -3.155
171 HD3 ARG 22 1HD ARG 22 -3.209 5.333 -2.173
172 HE ARG 22 HE ARG 22 -3.737 7.667 -3.708
173 HH11 ARG 22 1HH1 ARG 22 -1.057 5.650 -2.617
174 HH12 ARG 22 2HH1 ARG 22 0.090 6.945 -2.682
175 HH21 ARG 22 1HH2 ARG 22 -2.219 9.344 -3.695
176 HH22 ARG 22 2HH2 ARG 22 -0.565 9.028 -3.289
177 H ARG 23 H ARG 23 -2.986 1.499 -0.294
178 HA ARG 23 HA ARG 23 -4.319 -0.974 -1.094
179 HB2 ARG 23 2HB ARG 23 -1.515 -0.711 0.089
180 HB3 ARG 23 1HB ARG 23 -2.434 -2.208 0.153
181 HG2 ARG 23 2HG ARG 23 -1.805 -0.858 -2.485
182 HG3 ARG 23 1HG ARG 23 -0.661 -1.938 -1.693
183 HD2 ARG 23 2HD ARG 23 -1.896 -3.180 -3.356
184 HD3 ARG 23 1HD ARG 23 -2.347 -3.754 -1.760
185 HE ARG 23 HE ARG 23 -4.404 -2.400 -2.002
186 HH11 ARG 23 1HH1 ARG 23 -2.727 -3.380 -4.944
187 HH12 ARG 23 2HH1 ARG 23 -4.155 -3.279 -5.925
188 HH21 ARG 23 1HH2 ARG 23 -6.238 -2.249 -3.291
189 HH22 ARG 23 2HH2 ARG 23 -6.144 -2.636 -4.977
190 H GLU 24 H GLU 24 -6.008 -0.814 0.256
191 HA GLU 24 HA GLU 24 -6.022 -0.065 2.990
192 HB2 GLU 24 2HB GLU 24 -8.115 -0.258 1.803
193 HB3 GLU 24 1HB GLU 24 -7.803 -1.928 1.355
194 HG2 GLU 24 2HG GLU 24 -8.080 -2.618 3.708
195 HG3 GLU 24 1HG GLU 24 -8.332 -0.935 4.176
196 H LYS 25 H LYS 25 -5.387 -3.054 1.294
197 HA LYS 25 HA LYS 25 -3.940 -4.158 3.591
198 HB2 LYS 25 2HB LYS 25 -6.030 -5.637 1.905
199 HB3 LYS 25 1HB LYS 25 -4.872 -6.459 2.953
200 HG2 LYS 25 2HG LYS 25 -5.811 -5.322 4.921
201 HG3 LYS 25 1HG LYS 25 -6.951 -4.449 3.889
202 HD2 LYS 25 2HD LYS 25 -8.026 -6.584 3.254
203 HD3 LYS 25 1HD LYS 25 -6.861 -7.477 4.243
204 HE2 LYS 25 2HE LYS 25 -7.699 -6.369 6.260
205 HE3 LYS 25 1HE LYS 25 -8.829 -5.418 5.293
206 HZ1 LYS 25 3HZ LYS 25 -9.973 -7.249 6.260
207 HZ2 LYS 25 1HZ LYS 25 -8.848 -8.358 5.653
208 HZ3 LYS 25 2HZ LYS 25 -9.856 -7.512 4.598
209 H CYS 26 H CYS 26 -2.328 -5.727 2.934
210 HA CYS 26 HA CYS 26 -0.774 -5.116 0.704
211 HB2 CYS 26 2HB CYS 26 -0.875 -7.554 2.488
212 HB3 CYS 26 1HB CYS 26 0.159 -7.562 1.067
213 H PHE 27 H PHE 27 -0.386 -6.136 -1.283
214 HA PHE 27 HA PHE 27 -2.751 -6.818 -2.728
215 HB2 PHE 27 2HB PHE 27 -1.286 -6.894 -4.715
216 HB3 PHE 27 1HB PHE 27 -0.983 -5.464 -3.751
217 HD1 PHE 27 1HD PHE 27 1.140 -5.216 -2.469
218 HD2 PHE 27 2HD PHE 27 0.478 -8.576 -5.048
219 HE1 PHE 27 1HE PHE 27 3.552 -5.705 -2.472
220 HE2 PHE 27 2HE PHE 27 2.887 -9.056 -5.028
221 HZ PHE 27 HZ PHE 27 4.424 -7.625 -3.746
222 H LYS 28 H LYS 28 -0.858 -8.802 -0.828
223 HA LYS 28 HA LYS 28 -1.675 -11.235 -2.265
224 HB2 LYS 28 2HB LYS 28 0.646 -12.194 -1.861
225 HB3 LYS 28 1HB LYS 28 0.537 -10.946 -3.086
226 HG2 LYS 28 2HG LYS 28 2.473 -10.297 -2.014
227 HG3 LYS 28 1HG LYS 28 1.300 -9.333 -1.123
228 HD2 LYS 28 2HD LYS 28 2.947 -10.378 0.378
229 HD3 LYS 28 1HD LYS 28 1.339 -11.017 0.693
230 HE2 LYS 28 2HE LYS 28 1.923 -13.039 -0.677
231 HE3 LYS 28 1HE LYS 28 3.555 -12.396 -0.865
232 HZ1 LYS 28 3HZ LYS 28 3.400 -14.036 0.908
233 HZ2 LYS 28 1HZ LYS 28 2.277 -13.073 1.726
234 HZ3 LYS 28 2HZ LYS 28 3.861 -12.526 1.509
235 H CYS 29 H CYS 29 -0.351 -9.848 0.767
236 HA CYS 29 HA CYS 29 -0.846 -12.229 2.292
237 HB2 CYS 29 2HB CYS 29 1.052 -10.779 2.737
238 HB3 CYS 29 1HB CYS 29 -0.011 -9.425 3.050
239 H GLY 30 H GLY 30 -2.006 -8.898 3.016
240 HA2 GLY 30 2HA GLY 30 -4.463 -8.499 2.956
241 HA3 GLY 30 1HA GLY 30 -4.656 -10.042 3.770
242 H VAL 31 H VAL 31 -1.938 -8.275 4.874
243 HA VAL 31 HA VAL 31 -2.960 -7.669 7.441
244 HB VAL 31 HB VAL 31 -0.531 -7.888 7.040
245 HG11 VAL 31 1HG1 VAL 31 0.757 -6.105 5.904
246 HG12 VAL 31 2HG1 VAL 31 -0.747 -5.303 5.455
247 HG13 VAL 31 3HG1 VAL 31 -0.371 -6.901 4.806
248 HG21 VAL 31 3HG2 VAL 31 -1.257 -5.111 8.044
249 HG22 VAL 31 1HG2 VAL 31 0.275 -5.940 8.337
250 HG23 VAL 31 2HG2 VAL 31 -1.223 -6.591 9.006
251 HA PRO 32 HA PRO 32 -5.190 -3.855 6.317
252 HB2 PRO 32 2HB PRO 32 -5.528 -2.812 8.883
253 HB3 PRO 32 1HB PRO 32 -6.561 -4.083 8.200
254 HG2 PRO 32 2HG PRO 32 -4.223 -4.363 10.063
255 HG3 PRO 32 1HG PRO 32 -5.795 -5.192 10.104
256 HD2 PRO 32 2HD PRO 32 -3.578 -6.398 9.120
257 HD3 PRO 32 1HD PRO 32 -5.188 -6.717 8.426
258 H LYS 33 H LYS 33 -4.667 -1.724 6.063
259 HA LYS 33 HA LYS 33 -1.973 -0.906 6.109
260 HB2 LYS 33 2HB LYS 33 -3.717 -0.019 4.519
261 HB3 LYS 33 1HB LYS 33 -4.452 0.859 5.855
262 HG2 LYS 33 2HG LYS 33 -2.082 1.969 6.106
263 HG3 LYS 33 1HG LYS 33 -1.811 1.357 4.477
264 HD2 LYS 33 2HD LYS 33 -2.563 3.676 4.373
265 HD3 LYS 33 1HD LYS 33 -3.800 2.618 3.685
266 HE2 LYS 33 2HE LYS 33 -5.137 2.777 5.722
267 HE3 LYS 33 1HE LYS 33 -3.857 3.680 6.536
268 HZ1 LYS 33 3HZ LYS 33 -5.337 4.628 4.149
269 HZ2 LYS 33 1HZ LYS 33 -4.193 5.503 5.030
270 HZ3 LYS 33 2HZ LYS 33 -5.673 5.093 5.736
271 H SER 34 H SER 34 -4.646 -0.455 8.365
272 HA SER 34 HA SER 34 -3.593 1.545 10.055
273 HB2 SER 34 2HB SER 34 -5.972 0.878 10.068
274 HB3 SER 34 1HB SER 34 -5.546 -0.711 10.700
275 HG SER 34 HG SER 34 -4.586 1.393 12.197
276 H GLU 35 H GLU 35 -2.619 -1.707 9.649
277 HA GLU 35 HA GLU 35 -1.420 -1.985 12.330
278 HB2 GLU 35 2HB GLU 35 -2.929 -3.783 11.191
279 HB3 GLU 35 1HB GLU 35 -1.549 -4.127 10.155
280 HG2 GLU 35 2HG GLU 35 -0.214 -4.643 12.227
281 HG3 GLU 35 1HG GLU 35 -1.687 -4.410 13.172
282 H ALA 36 H ALA 36 -0.374 -0.454 9.716
283 HA ALA 36 HA ALA 36 2.443 -1.302 9.969
284 HB1 ALA 36 1HB ALA 36 2.751 -1.489 7.556
285 HB2 ALA 36 2HB ALA 36 1.036 -1.169 7.276
286 HB3 ALA 36 3HB ALA 36 1.540 -2.647 8.105
287 H GLU 37 H GLU 37 0.182 0.886 8.341
288 HA GLU 37 HA GLU 37 1.884 3.164 8.272
289 HB2 GLU 37 2HB GLU 37 -0.708 2.467 7.269
290 HB3 GLU 37 1HB GLU 37 -0.985 3.845 8.317
291 HG2 GLU 37 2HG GLU 37 0.988 3.776 6.017
292 HG3 GLU 37 1HG GLU 37 -0.650 4.423 5.914
293 H GLN 38 H GLN 38 1.271 5.204 9.474
294 HA GLN 38 HA GLN 38 1.513 4.844 12.273
295 HB2 GLN 38 2HB GLN 38 1.412 7.340 12.359
296 HB3 GLN 38 1HB GLN 38 2.585 6.745 11.195
297 HG2 GLN 38 2HG GLN 38 0.970 7.187 9.371
298 HG3 GLN 38 1HG GLN 38 -0.173 7.828 10.551
299 HE21 GLN 38 1HE2 GLN 38 -0.202 9.881 9.586
300 HE22 GLN 38 2HE2 GLN 38 1.135 10.969 9.685
301 H LYS 39 H LYS 39 0.085 5.586 13.927
302 HA LYS 39 HA LYS 39 -2.525 4.521 13.680
303 HB2 LYS 39 2HB LYS 39 -2.786 5.137 16.059
304 HB3 LYS 39 1HB LYS 39 -1.226 4.377 15.769
305 HG2 LYS 39 2HG LYS 39 -0.151 6.635 15.768
306 HG3 LYS 39 1HG LYS 39 -1.719 7.358 16.135
307 HD2 LYS 39 2HD LYS 39 -0.253 5.349 17.892
308 HD3 LYS 39 1HD LYS 39 -0.292 7.093 18.154
309 HE2 LYS 39 2HE LYS 39 -2.737 6.989 18.485
310 HE3 LYS 39 1HE LYS 39 -2.702 5.243 18.214
311 HZ1 LYS 39 3HZ LYS 39 -2.729 5.758 20.556
312 HZ2 LYS 39 1HZ LYS 39 -1.320 6.683 20.416
313 HZ3 LYS 39 2HZ LYS 39 -1.272 5.011 20.146
314 H LEU 40 H LEU 40 -4.543 5.492 13.785
315 HA LEU 40 HA LEU 40 -4.744 8.446 13.566
316 HB2 LEU 40 2HB LEU 40 -6.618 6.435 12.221
317 HB3 LEU 40 1HB LEU 40 -6.670 8.183 12.091
318 HG LEU 40 HG LEU 40 -4.244 7.865 11.009
319 HD11 LEU 40 1HD1 LEU 40 -4.008 5.828 9.692
320 HD12 LEU 40 2HD1 LEU 40 -5.488 5.171 10.399
321 HD13 LEU 40 3HD1 LEU 40 -4.073 5.456 11.415
322 HD21 LEU 40 3HD2 LEU 40 -5.251 7.804 8.778
323 HD22 LEU 40 1HD2 LEU 40 -6.137 8.882 9.857
324 HD23 LEU 40 2HD2 LEU 40 -6.790 7.287 9.472
325 HA PRO 41 HA PRO 41 -7.844 8.097 16.946
326 HB2 PRO 41 2HB PRO 41 -9.335 10.190 15.361
327 HB3 PRO 41 1HB PRO 41 -8.872 10.194 17.078
328 HG2 PRO 41 2HG PRO 41 -7.553 11.726 15.360
329 HG3 PRO 41 1HG PRO 41 -6.677 10.849 16.637
330 HD2 PRO 41 2HD PRO 41 -6.909 10.157 13.707
331 HD3 PRO 41 1HD PRO 41 -5.489 10.074 14.778
332 H LEU 42 H LEU 42 -9.385 6.572 17.074
333 HA LEU 42 HA LEU 42 -10.962 5.036 16.626
334 HB2 LEU 42 2HB LEU 42 -11.778 7.020 14.475
335 HB3 LEU 42 1HB LEU 42 -12.612 5.490 14.654
336 HG LEU 42 HG LEU 42 -13.258 6.157 17.000
337 HD11 LEU 42 1HD1 LEU 42 -11.518 7.772 17.523
338 HD12 LEU 42 2HD1 LEU 42 -13.115 8.493 17.720
339 HD13 LEU 42 3HD1 LEU 42 -12.143 8.876 16.295
340 HD21 LEU 42 3HD2 LEU 42 -14.220 8.049 14.837
341 HD22 LEU 42 1HD2 LEU 42 -15.033 7.730 16.373
342 HD23 LEU 42 2HD2 LEU 42 -14.861 6.442 15.184
343 H GLY 43 H GLY 43 -8.255 5.096 15.240
344 HA2 GLY 43 2HA GLY 43 -8.622 3.536 12.787
345 HA3 GLY 43 1HA GLY 43 -7.105 4.061 13.502