Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | in_recoord | stage | position | program | type |
|
|
9075 | 1nbl RC | 5670 | cing | recoord | 1-original | 5 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 1H LYS 1 1H LYS 1 2.893 9.326 -3.284
2 2H LYS 1 2H LYS 1 2.742 9.307 -4.930
3 3H LYS 1 3H LYS 1 1.535 8.711 -3.977
4 HA LYS 1 HA LYS 1 2.744 6.976 -4.986
5 1HB LYS 1 1HB LYS 1 4.960 8.620 -4.597
6 2HB LYS 1 2HB LYS 1 5.217 7.359 -3.399
7 1HG LYS 1 1HG LYS 1 4.818 6.932 -6.380
8 2HG LYS 1 2HG LYS 1 6.338 6.909 -5.480
9 1HD LYS 1 1HD LYS 1 5.324 4.985 -4.076
10 2HD LYS 1 2HD LYS 1 4.032 4.923 -5.276
11 1HE LYS 1 1HE LYS 1 5.629 3.285 -5.970
12 2HE LYS 1 2HE LYS 1 5.857 4.649 -7.076
13 1HZ LYS 1 1HZ LYS 1 7.484 4.088 -4.698
14 2HZ LYS 1 2HZ LYS 1 7.907 3.768 -6.257
15 3HZ LYS 1 3HZ LYS 1 7.717 5.329 -5.762
16 H SER 2 H SER 2 2.347 5.066 -4.007
17 HA SER 2 HA SER 2 2.278 4.760 -1.032
18 1HB SER 2 1HB SER 2 -0.010 5.352 -1.745
19 2HB SER 2 2HB SER 2 0.033 4.100 -3.002
20 HG SER 2 HG SER 2 0.262 3.675 -0.206
21 H CYS 3 H CYS 3 3.231 2.932 -0.425
22 HA CYS 3 HA CYS 3 3.768 0.795 -2.431
23 1HB CYS 3 1HB CYS 3 5.598 2.128 -0.408
24 2HB CYS 3 2HB CYS 3 6.010 0.663 -1.291
25 H CYS 4 H CYS 4 3.654 -1.349 -1.647
26 HA CYS 4 HA CYS 4 2.426 -1.756 0.995
27 1HB CYS 4 1HB CYS 4 2.149 -3.034 -1.730
28 2HB CYS 4 2HB CYS 4 1.489 -3.726 -0.285
29 H ARG 5 H ARG 5 2.911 -3.510 2.193
30 HA ARG 5 HA ARG 5 5.626 -4.132 1.855
31 1HB ARG 5 1HB ARG 5 5.702 -5.159 3.944
32 2HB ARG 5 2HB ARG 5 4.915 -3.572 3.968
33 1HG ARG 5 1HG ARG 5 2.672 -4.760 4.039
34 2HG ARG 5 2HG ARG 5 3.561 -6.297 4.185
35 1HD ARG 5 1HD ARG 5 4.856 -5.272 6.112
36 2HD ARG 5 2HD ARG 5 3.816 -3.844 5.995
37 HE ARG 5 HE ARG 5 2.094 -6.044 6.207
38 1HH1 ARG 5 1HH1 ARG 5 4.555 -4.521 8.280
39 2HH1 ARG 5 2HH1 ARG 5 3.795 -5.044 9.765
40 1HH2 ARG 5 1HH2 ARG 5 1.138 -6.725 8.160
41 2HH2 ARG 5 2HH2 ARG 5 1.854 -6.294 9.699
42 H ASN 6 H ASN 6 3.173 -5.535 0.331
43 HA ASN 6 HA ASN 6 4.847 -6.955 -1.001
44 1HB ASN 6 1HB ASN 6 3.624 -9.380 -0.661
45 2HB ASN 6 2HB ASN 6 5.114 -8.932 0.143
46 1HD2 ASN 6 2HD2 ASN 6 1.769 -7.862 0.986
47 2HD2 ASN 6 1HD2 ASN 6 1.791 -8.569 2.586
48 H THR 7 H THR 7 3.886 -8.314 -2.612
49 HA THR 7 HA THR 7 2.086 -6.693 -4.208
50 HB THR 7 HB THR 7 3.180 -9.378 -4.567
51 HG1 THR 7 HG1 THR 7 4.535 -8.239 -6.032
52 1HG2 THR 7 1HG2 THR 7 2.490 -8.879 -6.992
53 2HG2 THR 7 2HG2 THR 7 1.132 -9.134 -5.872
54 3HG2 THR 7 3HG2 THR 7 1.593 -7.475 -6.335
55 H LEU 8 H LEU 8 1.811 -9.380 -1.983
56 HA LEU 8 HA LEU 8 -0.897 -10.156 -2.204
57 1HB LEU 8 1HB LEU 8 1.389 -10.633 -0.611
58 2HB LEU 8 2HB LEU 8 0.470 -9.764 0.486
59 HG LEU 8 HG LEU 8 -0.522 -12.320 -0.816
60 1HD1 LEU 8 1HD2 LEU 8 1.276 -12.619 0.880
61 2HD1 LEU 8 2HD2 LEU 8 0.356 -11.643 2.041
62 3HD1 LEU 8 3HD2 LEU 8 -0.273 -13.215 1.501
63 1HD2 LEU 8 1HD1 LEU 8 -2.432 -10.841 -0.379
64 2HD2 LEU 8 2HD1 LEU 8 -2.400 -12.095 0.859
65 3HD2 LEU 8 3HD1 LEU 8 -1.827 -10.461 1.252
66 H ALA 9 H ALA 9 0.837 -7.705 -0.529
67 HA ALA 9 HA ALA 9 -1.521 -6.758 1.009
68 1HB ALA 9 1HB ALA 9 0.463 -6.496 2.154
69 2HB ALA 9 2HB ALA 9 1.243 -5.638 0.793
70 3HB ALA 9 3HB ALA 9 -0.069 -4.853 1.684
71 H ARG 10 H ARG 10 0.333 -5.566 -1.641
72 HA ARG 10 HA ARG 10 -1.068 -3.416 -2.663
73 1HB ARG 10 1HB ARG 10 1.147 -4.193 -3.279
74 2HB ARG 10 2HB ARG 10 0.453 -5.741 -3.709
75 1HG ARG 10 1HG ARG 10 1.179 -4.448 -5.680
76 2HG ARG 10 2HG ARG 10 -0.514 -4.969 -5.711
77 1HD ARG 10 1HD ARG 10 -0.241 -2.683 -6.366
78 2HD ARG 10 2HD ARG 10 -1.252 -2.872 -4.892
79 HE ARG 10 HE ARG 10 1.366 -2.322 -4.040
80 1HH1 ARG 10 1HH1 ARG 10 -1.293 -0.567 -5.637
81 2HH1 ARG 10 2HH1 ARG 10 -0.849 0.956 -4.904
82 1HH2 ARG 10 1HH2 ARG 10 1.910 -0.340 -3.127
83 2HH2 ARG 10 2HH2 ARG 10 0.981 1.090 -3.498
84 H ASN 11 H ASN 11 -1.660 -6.853 -2.977
85 HA ASN 11 HA ASN 11 -3.870 -6.507 -4.890
86 1HB ASN 11 1HB ASN 11 -3.013 -8.951 -3.292
87 2HB ASN 11 2HB ASN 11 -4.397 -8.925 -4.388
88 1HD2 ASN 11 2HD2 ASN 11 -2.359 -10.742 -4.802
89 2HD2 ASN 11 1HD2 ASN 11 -1.494 -10.299 -6.265
90 H CYS 12 H CYS 12 -3.813 -7.354 -1.409
91 HA CYS 12 HA CYS 12 -6.404 -6.927 -0.611
92 1HB CYS 12 1HB CYS 12 -4.771 -7.831 0.875
93 2HB CYS 12 2HB CYS 12 -3.745 -6.422 0.739
94 H TYR 13 H TYR 13 -3.866 -4.556 -1.061
95 HA TYR 13 HA TYR 13 -5.390 -2.277 -0.227
96 1HB TYR 13 1HB TYR 13 -3.003 -2.236 -0.154
97 2HB TYR 13 2HB TYR 13 -2.868 -2.558 -1.870
98 HD1 TYR 13 HD1 TYR 13 -3.152 0.042 0.653
99 HD2 TYR 13 HD2 TYR 13 -3.284 -0.817 -3.569
100 HE1 TYR 13 HE1 TYR 13 -2.881 2.459 0.160
101 HE2 TYR 13 HE2 TYR 13 -3.038 1.600 -4.072
102 HH TYR 13 HH TYR 13 -2.813 4.087 -1.493
103 H ASN 14 H ASN 14 -4.802 -3.555 -3.480
104 HA ASN 14 HA ASN 14 -6.311 -1.554 -4.910
105 1HB ASN 14 1HB ASN 14 -5.464 -4.383 -5.668
106 2HB ASN 14 2HB ASN 14 -6.180 -3.217 -6.785
107 1HD2 ASN 14 2HD2 ASN 14 -3.524 -4.553 -6.919
108 2HD2 ASN 14 1HD2 ASN 14 -2.352 -3.253 -7.005
109 H ALA 15 H ALA 15 -6.961 -4.536 -3.284
110 HA ALA 15 HA ALA 15 -9.716 -4.855 -4.154
111 1HB ALA 15 1HB ALA 15 -8.385 -6.804 -3.389
112 2HB ALA 15 2HB ALA 15 -8.258 -6.067 -1.771
113 3HB ALA 15 3HB ALA 15 -9.840 -6.554 -2.391
114 H CYS 16 H CYS 16 -8.118 -3.356 -1.184
115 HA CYS 16 HA CYS 16 -10.677 -2.812 0.026
116 1HB CYS 16 1HB CYS 16 -9.008 -2.790 1.578
117 2HB CYS 16 2HB CYS 16 -7.794 -2.117 0.490
118 H ARG 17 H ARG 17 -8.633 -1.359 -2.446
119 HA ARG 17 HA ARG 17 -9.992 1.181 -2.521
120 1HB ARG 17 2HB ARG 17 -7.594 0.784 -3.287
121 2HB ARG 17 1HB ARG 17 -8.248 -0.105 -4.647
122 1HG ARG 17 1HG ARG 17 -7.813 1.950 -5.598
123 2HG ARG 17 2HG ARG 17 -9.518 2.139 -5.206
124 1HD ARG 17 1HD ARG 17 -7.119 3.147 -3.588
125 2HD ARG 17 2HD ARG 17 -8.177 4.144 -4.579
126 HE ARG 17 HE ARG 17 -8.742 2.880 -1.975
127 1HH1 ARG 17 1HH1 ARG 17 -10.143 4.779 -4.656
128 2HH1 ARG 17 2HH1 ARG 17 -11.641 5.047 -3.808
129 1HH2 ARG 17 1HH2 ARG 17 -10.713 3.253 -0.920
130 2HH2 ARG 17 2HH2 ARG 17 -11.956 4.203 -1.696
131 H PHE 18 H PHE 18 -10.416 -1.981 -4.061
132 HA PHE 18 HA PHE 18 -12.607 -1.326 -5.777
133 1HB PHE 18 1HB PHE 18 -11.254 -3.585 -5.472
134 2HB PHE 18 2HB PHE 18 -12.394 -3.960 -4.254
135 HD1 PHE 18 HD1 PHE 18 -14.827 -4.203 -4.676
136 HD2 PHE 18 HD2 PHE 18 -11.974 -3.621 -7.869
137 HE1 PHE 18 HE1 PHE 18 -16.502 -5.001 -6.326
138 HE2 PHE 18 HE2 PHE 18 -13.646 -4.434 -9.513
139 HZ PHE 18 HZ PHE 18 -15.917 -5.131 -8.747
140 H THR 19 H THR 19 -12.460 -2.661 -2.396
141 HA THR 19 HA THR 19 -15.201 -2.359 -1.862
142 HB THR 19 HB THR 19 -14.721 -3.049 0.250
143 HG1 THR 19 HG1 THR 19 -12.322 -1.745 0.065
144 1HG2 THR 19 1HG2 THR 19 -12.302 -4.421 -0.573
145 2HG2 THR 19 2HG2 THR 19 -13.879 -5.054 -0.159
146 3HG2 THR 19 3HG2 THR 19 -13.582 -4.497 -1.801
147 H GLY 20 H GLY 20 -15.839 -1.230 0.309
148 1HA GLY 20 1HA GLY 20 -15.797 1.700 -0.145
149 2HA GLY 20 2HA GLY 20 -16.846 0.781 0.944
150 H GLY 21 H GLY 21 -13.408 0.202 0.747
151 1HA GLY 21 1HA GLY 21 -12.768 1.349 3.392
152 2HA GLY 21 2HA GLY 21 -11.880 0.076 2.532
153 H SER 22 H SER 22 -11.908 3.328 3.088
154 HA SER 22 HA SER 22 -11.099 4.608 0.769
155 1HB SER 22 1HB SER 22 -10.232 6.270 2.458
156 2HB SER 22 2HB SER 22 -11.870 5.928 2.598
157 HG SER 22 HG SER 22 -9.949 4.593 4.170
158 H GLN 23 H GLN 23 -9.087 5.580 0.920
159 HA GLN 23 HA GLN 23 -6.999 3.708 0.112
160 1HB GLN 23 1HB GLN 23 -7.381 5.850 -1.102
161 2HB GLN 23 2HB GLN 23 -6.723 6.740 0.278
162 1HG GLN 23 1HG GLN 23 -4.559 5.529 0.013
163 2HG GLN 23 2HG GLN 23 -5.255 4.560 -1.287
164 1HE2 GLN 23 2HE2 GLN 23 -4.657 8.008 -0.364
165 2HE2 GLN 23 1HE2 GLN 23 -4.300 8.548 -1.990
166 HA PRO 24 HA PRO 24 -4.959 5.187 4.276
167 1HB PRO 24 1HB PRO 24 -7.618 5.764 5.712
168 2HB PRO 24 2HB PRO 24 -6.053 6.439 6.033
169 1HG PRO 24 1HG PRO 24 -7.916 7.885 4.665
170 2HG PRO 24 2HG PRO 24 -6.276 7.828 3.930
171 1HD PRO 24 1HD PRO 24 -8.539 5.860 3.517
172 2HD PRO 24 2HD PRO 24 -7.906 6.884 2.239
173 H THR 25 H THR 25 -8.210 4.012 4.575
174 HA THR 25 HA THR 25 -7.724 1.865 6.399
175 HB THR 25 HB THR 25 -9.718 2.215 4.290
176 HG1 THR 25 HG1 THR 25 -9.904 2.288 7.099
177 1HG2 THR 25 1HG2 THR 25 -10.967 0.232 5.378
178 2HG2 THR 25 2HG2 THR 25 -9.492 -0.239 4.536
179 3HG2 THR 25 3HG2 THR 25 -9.478 -0.061 6.300
180 H CYS 26 H CYS 26 -7.241 1.989 2.952
181 HA CYS 26 HA CYS 26 -6.542 -0.819 2.711
182 1HB CYS 26 1HB CYS 26 -5.654 1.429 0.823
183 2HB CYS 26 2HB CYS 26 -5.741 -0.289 0.489
184 H GLY 27 H GLY 27 -4.533 2.075 2.811
185 1HA GLY 27 1HA GLY 27 -2.119 0.633 3.166
186 2HA GLY 27 2HA GLY 27 -2.329 2.348 3.555
187 H ILE 28 H ILE 28 -4.622 1.324 5.505
188 HA ILE 28 HA ILE 28 -2.848 0.590 7.685
189 HB ILE 28 HB ILE 28 -5.864 0.868 7.522
190 1HG1 ILE 28 1HG1 ILE 28 -3.929 2.559 9.201
191 2HG1 ILE 28 2HG1 ILE 28 -4.145 2.946 7.500
192 1HG2 ILE 28 1HG2 ILE 28 -4.153 0.112 9.882
193 2HG2 ILE 28 2HG2 ILE 28 -5.823 0.747 10.036
194 3HG2 ILE 28 3HG2 ILE 28 -5.535 -0.766 9.191
195 1HD1 ILE 28 1HD1 ILE 28 -6.574 3.204 7.812
196 2HD1 ILE 28 2HD1 ILE 28 -6.397 2.850 9.539
197 3HD1 ILE 28 3HD1 ILE 28 -5.642 4.300 8.848
198 H LEU 29 H LEU 29 -5.597 -0.948 6.133
199 HA LEU 29 HA LEU 29 -5.493 -3.166 7.963
200 1HB LEU 29 1HB LEU 29 -6.940 -2.996 5.280
201 2HB LEU 29 2HB LEU 29 -7.113 -4.339 6.413
202 HG LEU 29 HG LEU 29 -7.784 -1.471 6.993
203 1HD1 LEU 29 1HD1 LEU 29 -9.313 -2.526 5.318
204 2HD1 LEU 29 2HD1 LEU 29 -9.599 -3.880 6.424
205 3HD1 LEU 29 3HD1 LEU 29 -10.176 -2.262 6.848
206 1HD2 LEU 29 1HD2 LEU 29 -8.266 -3.980 8.667
207 2HD2 LEU 29 2HD2 LEU 29 -7.269 -2.574 9.116
208 3HD2 LEU 29 3HD2 LEU 29 -9.013 -2.406 8.998
209 H CYS 30 H CYS 30 -4.552 -2.533 4.726
210 HA CYS 30 HA CYS 30 -3.179 -5.137 4.311
211 1HB CYS 30 1HB CYS 30 -3.134 -2.757 2.452
212 2HB CYS 30 2HB CYS 30 -2.785 -4.431 2.104
213 H ASP 31 H ASP 31 -2.330 -2.295 5.998
214 HA ASP 31 HA ASP 31 -0.364 -1.432 6.664
215 1HB ASP 31 1HB ASP 31 0.719 -4.202 5.997
216 2HB ASP 31 2HB ASP 31 1.472 -3.018 7.064
217 HD2 ASP 31 HD2 ASP 31 -0.857 -3.503 9.690
218 H CYS 32 H CYS 32 -0.966 -0.611 4.221
219 HA CYS 32 HA CYS 32 1.706 -0.373 2.772
220 1HB CYS 32 1HB CYS 32 -0.874 0.651 1.580
221 2HB CYS 32 2HB CYS 32 0.665 0.453 0.846
222 H ILE 33 H ILE 33 2.193 1.976 1.939
223 HA ILE 33 HA ILE 33 1.610 3.911 4.155
224 HB ILE 33 HB ILE 33 4.077 4.445 4.064
225 1HG1 ILE 33 1HG1 ILE 33 4.387 1.780 2.647
226 2HG1 ILE 33 2HG1 ILE 33 4.374 3.306 1.759
227 1HG2 ILE 33 1HG2 ILE 33 4.735 2.631 5.540
228 2HG2 ILE 33 2HG2 ILE 33 3.072 3.106 5.866
229 3HG2 ILE 33 3HG2 ILE 33 3.392 1.627 4.950
230 1HD1 ILE 33 1HD1 ILE 33 6.330 4.080 3.022
231 2HD1 ILE 33 2HD1 ILE 33 6.340 2.591 3.973
232 3HD1 ILE 33 3HD1 ILE 33 6.646 2.520 2.225
233 H HIS 34 H HIS 34 3.212 5.946 3.249
234 HA HIS 34 HA HIS 34 2.615 6.362 0.440
235 1HB HIS 34 1HB HIS 34 0.749 7.487 1.662
236 2HB HIS 34 2HB HIS 34 1.919 8.449 2.562
237 HD1 HIS 34 HD1 HIS 34 3.613 9.947 0.841
238 HD2 HIS 34 HD2 HIS 34 -0.116 8.608 -0.629
239 HE1 HIS 34 HE1 HIS 34 3.076 11.328 -1.242
240 HE2 HIS 34 HE2 HIS 34 0.805 10.533 -2.132
241 H VAL 35 H VAL 35 4.498 6.707 -0.484
242 HA VAL 35 HA VAL 35 6.713 7.987 1.075
243 HB VAL 35 HB VAL 35 8.235 7.101 -0.411
244 1HG1 VAL 35 1HG1 VAL 35 6.648 4.904 0.793
245 2HG1 VAL 35 2HG1 VAL 35 8.372 4.901 0.377
246 3HG1 VAL 35 3HG1 VAL 35 7.811 5.991 1.649
247 1HG2 VAL 35 1HG2 VAL 35 7.254 6.613 -2.485
248 2HG2 VAL 35 2HG2 VAL 35 7.728 5.052 -1.778
249 3HG2 VAL 35 3HG2 VAL 35 6.037 5.527 -1.736
250 H THR 36 H THR 36 7.836 9.540 0.289
251 HA THR 36 HA THR 36 7.473 10.391 -2.513
252 HB THR 36 HB THR 36 8.166 12.682 -1.964
253 HG1 THR 36 HG1 THR 36 8.050 13.346 0.222
254 1HG2 THR 36 1HG2 THR 36 6.012 13.422 -1.116
255 2HG2 THR 36 2HG2 THR 36 5.763 12.018 -2.190
256 3HG2 THR 36 3HG2 THR 36 5.674 11.819 -0.429
257 H THR 37 H THR 37 8.771 8.200 -1.731
258 HA THR 37 HA THR 37 11.411 8.363 -1.079
259 HB THR 37 HB THR 37 11.534 6.144 -2.186
260 HG1 THR 37 HG1 THR 37 9.741 6.433 -3.443
261 1HG2 THR 37 1HG2 THR 37 10.516 5.061 -0.264
262 2HG2 THR 37 2HG2 THR 37 11.756 6.256 0.071
263 3HG2 THR 37 3HG2 THR 37 10.094 6.677 0.373
264 H THR 38 H THR 38 12.718 7.377 -2.808
265 HA THR 38 HA THR 38 12.858 8.418 -5.575
266 HB THR 38 HB THR 38 14.292 6.096 -4.502
267 HG1 THR 38 HG1 THR 38 14.842 7.981 -3.361
268 1HG2 THR 38 1HG2 THR 38 14.882 7.874 -6.909
269 2HG2 THR 38 2HG2 THR 38 15.868 6.509 -6.367
270 3HG2 THR 38 3HG2 THR 38 14.245 6.221 -7.004
271 H THR 39 H THR 39 11.844 5.262 -3.931
272 HA THR 39 HA THR 39 10.001 4.370 -5.874
273 HB THR 39 HB THR 39 12.303 2.722 -5.276
274 HG1 THR 39 HG1 THR 39 13.480 3.366 -7.129
275 1HG2 THR 39 1HG2 THR 39 10.487 1.709 -6.510
276 2HG2 THR 39 2HG2 THR 39 10.557 3.009 -7.723
277 3HG2 THR 39 3HG2 THR 39 11.885 1.832 -7.591
278 H CYS 40 H CYS 40 9.446 2.230 -5.084
279 HA CYS 40 HA CYS 40 8.557 2.381 -2.464
280 1HB CYS 40 1HB CYS 40 8.598 0.017 -4.386
281 2HB CYS 40 2HB CYS 40 7.886 -0.095 -2.782
282 HA PRO 41 HA PRO 41 12.285 1.398 -0.374
283 1HB PRO 41 1HB PRO 41 11.451 1.610 2.201
284 2HB PRO 41 2HB PRO 41 11.418 2.988 1.076
285 1HG PRO 41 1HG PRO 41 9.124 1.116 1.727
286 2HG PRO 41 2HG PRO 41 9.129 2.904 1.794
287 1HD PRO 41 1HD PRO 41 8.201 1.682 -0.428
288 2HD PRO 41 2HD PRO 41 9.251 3.121 -0.540
289 H SER 42 H SER 42 13.158 0.142 1.363
290 HA SER 42 HA SER 42 12.965 -2.690 1.148
291 1HB SER 42 1HB SER 42 14.031 -0.854 3.333
292 2HB SER 42 2HB SER 42 14.318 -2.608 3.246
293 HG SER 42 HG SER 42 16.039 -1.399 2.324
294 H SER 43 H SER 43 11.283 -0.256 3.183
295 HA SER 43 HA SER 43 10.399 -2.193 5.173
296 1HB SER 43 2HB SER 43 10.777 0.214 5.674
297 2HB SER 43 1HB SER 43 9.294 0.493 4.762
298 HG SER 43 HG SER 43 8.239 -0.972 6.195
299 H HIS 44 H HIS 44 9.374 -1.030 2.122
300 HA HIS 44 HA HIS 44 6.865 -2.652 2.186
301 1HB HIS 44 1HB HIS 44 6.923 0.298 1.536
302 2HB HIS 44 2HB HIS 44 5.593 -0.800 1.164
303 HD1 HIS 44 HD1 HIS 44 7.505 0.539 4.181
304 HD2 HIS 44 HD2 HIS 44 3.940 -1.427 3.175
305 HE1 HIS 44 HE1 HIS 44 6.240 0.228 6.342
306 HE2 HIS 44 HE2 HIS 44 3.992 -0.926 5.766
307 HA PRO 45 HA PRO 45 9.568 -2.901 -1.648
308 1HB PRO 45 1HB PRO 45 9.167 -5.563 -2.343
309 2HB PRO 45 2HB PRO 45 10.353 -4.972 -1.156
310 1HG PRO 45 1HG PRO 45 7.552 -5.982 -0.591
311 2HG PRO 45 2HG PRO 45 9.080 -6.483 0.188
312 1HD PRO 45 1HD PRO 45 7.554 -4.680 1.383
313 2HD PRO 45 2HD PRO 45 9.296 -4.355 1.301
314 H SER 46 H SER 46 6.046 -3.837 -1.551
315 HA SER 46 HA SER 46 5.911 -3.806 -4.498
316 1HB SER 46 1HB SER 46 4.790 -5.642 -3.346
317 2HB SER 46 2HB SER 46 3.940 -4.552 -2.294
318 HG SER 46 HG SER 46 3.003 -3.706 -4.294
319 HXT SER 46 HO OH 47 3.649 -1.012 -4.613
Start of MODEL 2
1 1H LYS 1 1H LYS 1 2.196 9.142 -3.692
2 2H LYS 1 2H LYS 1 3.822 9.240 -3.436
3 3H LYS 1 3H LYS 1 3.209 9.438 -4.957
4 HA LYS 1 HA LYS 1 2.476 7.209 -5.019
5 1HB LYS 1 1HB LYS 1 4.735 7.946 -5.781
6 2HB LYS 1 2HB LYS 1 5.396 7.239 -4.316
7 1HG LYS 1 1HG LYS 1 3.521 5.454 -5.849
8 2HG LYS 1 2HG LYS 1 4.915 5.946 -6.772
9 1HD LYS 1 1HD LYS 1 5.129 4.815 -3.960
10 2HD LYS 1 2HD LYS 1 5.103 3.784 -5.403
11 1HE LYS 1 1HE LYS 1 7.170 5.994 -4.897
12 2HE LYS 1 2HE LYS 1 7.427 4.275 -4.596
13 1HZ LYS 1 1HZ LYS 1 8.266 4.959 -6.707
14 2HZ LYS 1 2HZ LYS 1 7.035 3.870 -6.898
15 3HZ LYS 1 3HZ LYS 1 6.784 5.477 -7.183
16 H SER 2 H SER 2 2.497 5.036 -4.096
17 HA SER 2 HA SER 2 2.549 4.800 -1.114
18 1HB SER 2 1HB SER 2 0.115 4.377 -2.922
19 2HB SER 2 2HB SER 2 0.235 3.850 -1.229
20 HG SER 2 HG SER 2 0.483 6.520 -2.146
21 H CYS 3 H CYS 3 3.243 2.921 -0.430
22 HA CYS 3 HA CYS 3 3.776 0.786 -2.440
23 1HB CYS 3 1HB CYS 3 5.552 1.970 -0.297
24 2HB CYS 3 2HB CYS 3 5.950 0.589 -1.316
25 H CYS 4 H CYS 4 3.565 -1.369 -1.685
26 HA CYS 4 HA CYS 4 2.416 -1.789 0.998
27 1HB CYS 4 1HB CYS 4 2.099 -3.102 -1.703
28 2HB CYS 4 2HB CYS 4 1.464 -3.749 -0.230
29 H ARG 5 H ARG 5 2.952 -3.500 2.220
30 HA ARG 5 HA ARG 5 5.668 -4.116 1.838
31 1HB ARG 5 1HB ARG 5 5.730 -5.276 3.908
32 2HB ARG 5 2HB ARG 5 5.085 -3.625 3.975
33 1HG ARG 5 1HG ARG 5 2.745 -4.655 4.063
34 2HG ARG 5 2HG ARG 5 3.555 -6.237 4.226
35 1HD ARG 5 1HD ARG 5 4.944 -5.205 6.110
36 2HD ARG 5 2HD ARG 5 3.920 -3.761 5.980
37 HE ARG 5 HE ARG 5 2.209 -5.988 6.274
38 1HH1 ARG 5 1HH1 ARG 5 4.620 -4.284 8.272
39 2HH1 ARG 5 2HH1 ARG 5 3.866 -4.761 9.776
40 1HH2 ARG 5 1HH2 ARG 5 1.284 -6.626 8.252
41 2HH2 ARG 5 2HH2 ARG 5 1.967 -6.084 9.766
42 H ASN 6 H ASN 6 3.171 -5.515 0.355
43 HA ASN 6 HA ASN 6 4.847 -6.891 -1.051
44 1HB ASN 6 1HB ASN 6 3.987 -9.346 -0.773
45 2HB ASN 6 2HB ASN 6 5.135 -8.755 0.401
46 1HD2 ASN 6 2HD2 ASN 6 4.225 -10.654 1.500
47 2HD2 ASN 6 1HD2 ASN 6 2.834 -10.405 2.555
48 H THR 7 H THR 7 3.808 -8.418 -2.472
49 HA THR 7 HA THR 7 2.049 -6.809 -4.162
50 HB THR 7 HB THR 7 3.128 -9.516 -4.417
51 HG1 THR 7 HG1 THR 7 4.479 -8.424 -5.940
52 1HG2 THR 7 1HG2 THR 7 2.438 -9.092 -6.861
53 2HG2 THR 7 2HG2 THR 7 1.086 -9.325 -5.726
54 3HG2 THR 7 3HG2 THR 7 1.534 -7.673 -6.235
55 H LEU 8 H LEU 8 1.787 -9.395 -1.821
56 HA LEU 8 HA LEU 8 -0.926 -10.185 -2.044
57 1HB LEU 8 1HB LEU 8 1.342 -10.655 -0.429
58 2HB LEU 8 2HB LEU 8 0.405 -9.763 0.647
59 HG LEU 8 HG LEU 8 -0.567 -12.333 -0.618
60 1HD1 LEU 8 1HD1 LEU 8 1.216 -12.574 1.115
61 2HD1 LEU 8 2HD1 LEU 8 0.247 -11.607 2.245
62 3HD1 LEU 8 3HD1 LEU 8 -0.348 -13.188 1.700
63 1HD2 LEU 8 1HD2 LEU 8 -1.896 -10.419 1.371
64 2HD2 LEU 8 2HD2 LEU 8 -2.484 -10.837 -0.248
65 3HD2 LEU 8 3HD2 LEU 8 -2.477 -12.066 1.023
66 H ALA 9 H ALA 9 0.851 -7.725 -0.425
67 HA ALA 9 HA ALA 9 -1.495 -6.724 1.093
68 1HB ALA 9 1HB ALA 9 0.500 -6.454 2.222
69 2HB ALA 9 2HB ALA 9 1.274 -5.646 0.834
70 3HB ALA 9 3HB ALA 9 -0.018 -4.817 1.723
71 H ARG 10 H ARG 10 0.334 -5.614 -1.613
72 HA ARG 10 HA ARG 10 -1.050 -3.457 -2.652
73 1HB ARG 10 1HB ARG 10 1.143 -4.262 -3.275
74 2HB ARG 10 2HB ARG 10 0.436 -5.821 -3.670
75 1HG ARG 10 1HG ARG 10 1.138 -4.564 -5.677
76 2HG ARG 10 2HG ARG 10 -0.556 -5.075 -5.666
77 1HD ARG 10 1HD ARG 10 -0.258 -2.795 -6.369
78 2HD ARG 10 2HD ARG 10 -1.279 -2.971 -4.897
79 HE ARG 10 HE ARG 10 1.340 -2.393 -4.040
80 1HH1 ARG 10 1HH1 ARG 10 -1.355 -0.696 -5.627
81 2HH1 ARG 10 2HH1 ARG 10 -0.934 0.845 -4.911
82 1HH2 ARG 10 1HH2 ARG 10 1.865 -0.398 -3.158
83 2HH2 ARG 10 2HH2 ARG 10 0.915 1.024 -3.530
84 H ASN 11 H ASN 11 -1.672 -6.897 -2.882
85 HA ASN 11 HA ASN 11 -3.907 -6.590 -4.787
86 1HB ASN 11 1HB ASN 11 -3.052 -8.998 -3.134
87 2HB ASN 11 2HB ASN 11 -4.442 -8.983 -4.219
88 1HD2 ASN 11 2HD2 ASN 11 -2.435 -10.837 -4.609
89 2HD2 ASN 11 1HD2 ASN 11 -1.575 -10.444 -6.083
90 H CYS 12 H CYS 12 -3.825 -7.345 -1.292
91 HA CYS 12 HA CYS 12 -6.399 -6.866 -0.477
92 1HB CYS 12 1HB CYS 12 -4.770 -7.755 1.019
93 2HB CYS 12 2HB CYS 12 -3.711 -6.375 0.824
94 H TYR 13 H TYR 13 -3.842 -4.532 -1.000
95 HA TYR 13 HA TYR 13 -5.324 -2.222 -0.209
96 1HB TYR 13 1HB TYR 13 -2.924 -2.248 -0.207
97 2HB TYR 13 2HB TYR 13 -2.866 -2.528 -1.943
98 HD1 TYR 13 HD1 TYR 13 -3.055 -0.004 0.677
99 HD2 TYR 13 HD2 TYR 13 -3.351 -0.724 -3.569
100 HE1 TYR 13 HE1 TYR 13 -2.692 2.410 0.250
101 HE2 TYR 13 HE2 TYR 13 -2.981 1.692 -4.005
102 HH TYR 13 HH TYR 13 -2.634 3.784 -3.073
103 H ASN 14 H ASN 14 -4.789 -3.563 -3.444
104 HA ASN 14 HA ASN 14 -6.299 -1.581 -4.898
105 1HB ASN 14 1HB ASN 14 -5.492 -4.432 -5.616
106 2HB ASN 14 2HB ASN 14 -6.186 -3.267 -6.750
107 1HD2 ASN 14 2HD2 ASN 14 -3.564 -4.660 -6.892
108 2HD2 ASN 14 1HD2 ASN 14 -2.372 -3.384 -6.989
109 H ALA 15 H ALA 15 -6.969 -4.536 -3.226
110 HA ALA 15 HA ALA 15 -9.749 -4.832 -4.035
111 1HB ALA 15 1HB ALA 15 -9.850 -6.475 -2.213
112 2HB ALA 15 2HB ALA 15 -8.419 -6.769 -3.240
113 3HB ALA 15 3HB ALA 15 -8.246 -5.990 -1.650
114 H CYS 16 H CYS 16 -8.080 -3.318 -1.115
115 HA CYS 16 HA CYS 16 -10.596 -2.745 0.132
116 1HB CYS 16 1HB CYS 16 -8.873 -2.700 1.622
117 2HB CYS 16 2HB CYS 16 -7.699 -2.032 0.498
118 H ARG 17 H ARG 17 -8.592 -1.319 -2.391
119 HA ARG 17 HA ARG 17 -10.001 1.203 -2.525
120 1HB ARG 17 2HB ARG 17 -7.567 0.766 -3.265
121 2HB ARG 17 1HB ARG 17 -8.241 -0.075 -4.647
122 1HG ARG 17 1HG ARG 17 -7.769 1.989 -5.514
123 2HG ARG 17 2HG ARG 17 -9.483 2.184 -5.137
124 1HD ARG 17 1HD ARG 17 -7.105 3.110 -3.453
125 2HD ARG 17 2HD ARG 17 -8.087 4.158 -4.462
126 HE ARG 17 HE ARG 17 -8.836 2.818 -1.914
127 1HH1 ARG 17 1HH1 ARG 17 -9.867 5.113 -4.454
128 2HH1 ARG 17 2HH1 ARG 17 -11.339 5.522 -3.610
129 1HH2 ARG 17 1HH2 ARG 17 -10.741 3.379 -0.870
130 2HH2 ARG 17 2HH2 ARG 17 -11.834 4.550 -1.575
131 H PHE 18 H PHE 18 -10.427 -2.020 -3.948
132 HA PHE 18 HA PHE 18 -12.549 -1.400 -5.758
133 1HB PHE 18 2HB PHE 18 -11.216 -3.704 -5.181
134 2HB PHE 18 1HB PHE 18 -12.471 -3.962 -4.113
135 HD1 PHE 18 HD1 PHE 18 -11.582 -3.825 -7.654
136 HD2 PHE 18 HD2 PHE 18 -14.878 -4.170 -4.873
137 HE1 PHE 18 HE1 PHE 18 -13.047 -4.657 -9.483
138 HE2 PHE 18 HE2 PHE 18 -16.336 -4.991 -6.708
139 HZ PHE 18 HZ PHE 18 -15.427 -5.231 -9.017
140 H THR 19 H THR 19 -12.429 -2.538 -2.345
141 HA THR 19 HA THR 19 -15.216 -2.358 -1.893
142 HB THR 19 HB THR 19 -14.650 -3.193 0.236
143 HG1 THR 19 HG1 THR 19 -12.656 -3.063 1.138
144 1HG2 THR 19 1HG2 THR 19 -13.406 -4.390 -2.083
145 2HG2 THR 19 2HG2 THR 19 -12.340 -4.587 -0.682
146 3HG2 THR 19 3HG2 THR 19 -14.011 -5.153 -0.640
147 H GLY 20 H GLY 20 -15.724 -1.379 0.489
148 1HA GLY 20 1HA GLY 20 -15.819 1.556 0.142
149 2HA GLY 20 2HA GLY 20 -16.691 0.569 1.322
150 H GLY 21 H GLY 21 -13.279 0.057 0.762
151 1HA GLY 21 1HA GLY 21 -12.419 1.106 3.376
152 2HA GLY 21 2HA GLY 21 -11.596 -0.065 2.340
153 H SER 22 H SER 22 -11.815 3.187 3.116
154 HA SER 22 HA SER 22 -11.046 4.640 0.903
155 1HB SER 22 2HB SER 22 -10.535 5.115 3.753
156 2HB SER 22 1HB SER 22 -10.542 6.326 2.480
157 HG SER 22 HG SER 22 -12.506 6.303 3.636
158 H GLN 23 H GLN 23 -9.070 5.739 1.167
159 HA GLN 23 HA GLN 23 -6.900 3.978 0.297
160 1HB GLN 23 1HB GLN 23 -6.923 7.013 0.472
161 2HB GLN 23 2HB GLN 23 -5.549 6.049 -0.090
162 1HG GLN 23 1HG GLN 23 -6.941 5.041 -1.841
163 2HG GLN 23 2HG GLN 23 -8.353 5.958 -1.282
164 1HE2 GLN 23 2HE2 GLN 23 -8.124 6.423 -3.765
165 2HE2 GLN 23 1HE2 GLN 23 -7.240 7.883 -4.164
166 HA PRO 24 HA PRO 24 -4.927 5.191 4.562
167 1HB PRO 24 1HB PRO 24 -7.681 5.707 5.872
168 2HB PRO 24 2HB PRO 24 -6.114 6.252 6.431
169 1HG PRO 24 1HG PRO 24 -7.742 7.950 5.060
170 2HG PRO 24 2HG PRO 24 -6.046 7.845 4.489
171 1HD PRO 24 1HD PRO 24 -8.438 6.234 3.512
172 2HD PRO 24 2HD PRO 24 -7.349 7.240 2.537
173 H THR 25 H THR 25 -8.183 3.971 4.709
174 HA THR 25 HA THR 25 -7.695 1.787 6.458
175 HB THR 25 HB THR 25 -9.646 2.168 4.318
176 HG1 THR 25 HG1 THR 25 -9.878 2.210 7.132
177 1HG2 THR 25 1HG2 THR 25 -10.918 0.178 5.365
178 2HG2 THR 25 2HG2 THR 25 -9.423 -0.293 4.564
179 3HG2 THR 25 3HG2 THR 25 -9.446 -0.123 6.326
180 H CYS 26 H CYS 26 -7.131 2.016 3.034
181 HA CYS 26 HA CYS 26 -6.397 -0.781 2.735
182 1HB CYS 26 1HB CYS 26 -5.508 1.505 0.904
183 2HB CYS 26 2HB CYS 26 -5.593 -0.212 0.537
184 H GLY 27 H GLY 27 -4.464 2.160 2.918
185 1HA GLY 27 1HA GLY 27 -2.008 0.758 3.256
186 2HA GLY 27 2HA GLY 27 -2.260 2.465 3.672
187 H ILE 28 H ILE 28 -4.544 1.273 5.563
188 HA ILE 28 HA ILE 28 -2.772 0.558 7.755
189 HB ILE 28 HB ILE 28 -5.777 0.858 7.580
190 1HG1 ILE 28 1HG1 ILE 28 -3.851 2.545 9.269
191 2HG1 ILE 28 2HG1 ILE 28 -4.069 2.935 7.568
192 1HG2 ILE 28 1HG2 ILE 28 -4.079 0.083 9.943
193 2HG2 ILE 28 2HG2 ILE 28 -5.743 0.728 10.095
194 3HG2 ILE 28 3HG2 ILE 28 -5.468 -0.776 9.242
195 1HD1 ILE 28 1HD1 ILE 28 -6.516 3.138 7.897
196 2HD1 ILE 28 2HD1 ILE 28 -6.294 2.849 9.636
197 3HD1 ILE 28 3HD1 ILE 28 -5.575 4.282 8.876
198 H LEU 29 H LEU 29 -5.513 -0.956 6.171
199 HA LEU 29 HA LEU 29 -5.422 -3.185 7.991
200 1HB LEU 29 1HB LEU 29 -6.870 -2.992 5.312
201 2HB LEU 29 2HB LEU 29 -7.041 -4.345 6.427
202 HG LEU 29 HG LEU 29 -7.724 -1.483 7.025
203 1HD1 LEU 29 1HD2 LEU 29 -10.116 -2.316 6.909
204 2HD1 LEU 29 2HD2 LEU 29 -9.269 -2.570 5.372
205 3HD1 LEU 29 3HD2 LEU 29 -9.512 -3.923 6.491
206 1HD2 LEU 29 1HD1 LEU 29 -7.179 -2.574 9.143
207 2HD2 LEU 29 2HD1 LEU 29 -8.926 -2.432 9.038
208 3HD2 LEU 29 3HD1 LEU 29 -8.154 -3.993 8.707
209 H CYS 30 H CYS 30 -4.476 -2.514 4.766
210 HA CYS 30 HA CYS 30 -3.088 -5.092 4.303
211 1HB CYS 30 1HB CYS 30 -3.021 -2.649 2.512
212 2HB CYS 30 2HB CYS 30 -2.673 -4.307 2.125
213 H ASP 31 H ASP 31 -2.260 -2.260 6.028
214 HA ASP 31 HA ASP 31 -0.293 -1.356 6.697
215 1HB ASP 31 1HB ASP 31 0.773 -4.140 6.074
216 2HB ASP 31 2HB ASP 31 1.590 -2.912 7.038
217 HD2 ASP 31 HD2 ASP 31 -1.566 -4.941 8.595
218 H CYS 32 H CYS 32 -0.920 -0.561 4.245
219 HA CYS 32 HA CYS 32 1.734 -0.365 2.770
220 1HB CYS 32 1HB CYS 32 -0.874 0.630 1.598
221 2HB CYS 32 2HB CYS 32 0.656 0.438 0.838
222 H ILE 33 H ILE 33 2.213 2.002 1.843
223 HA ILE 33 HA ILE 33 1.668 3.968 4.028
224 HB ILE 33 HB ILE 33 4.117 4.486 3.945
225 1HG1 ILE 33 1HG1 ILE 33 4.408 1.822 2.496
226 2HG1 ILE 33 2HG1 ILE 33 4.473 3.377 1.654
227 1HG2 ILE 33 1HG2 ILE 33 3.118 3.116 5.734
228 2HG2 ILE 33 2HG2 ILE 33 3.480 1.651 4.815
229 3HG2 ILE 33 3HG2 ILE 33 4.794 2.679 5.418
230 1HD1 ILE 33 1HD1 ILE 33 6.377 2.458 3.836
231 2HD1 ILE 33 2HD1 ILE 33 6.703 2.553 2.094
232 3HD1 ILE 33 3HD1 ILE 33 6.411 4.033 3.038
233 H HIS 34 H HIS 34 3.211 5.990 3.107
234 HA HIS 34 HA HIS 34 2.623 6.392 0.276
235 1HB HIS 34 1HB HIS 34 0.785 7.517 1.547
236 2HB HIS 34 2HB HIS 34 1.979 8.490 2.404
237 HD1 HIS 34 HD1 HIS 34 0.020 8.316 -0.749
238 HD2 HIS 34 HD2 HIS 34 3.512 10.250 0.625
239 HE1 HIS 34 HE1 HIS 34 0.542 10.208 -2.384
240 HE2 HIS 34 HE2 HIS 34 2.672 11.378 -1.570
241 H VAL 35 H VAL 35 4.513 6.676 -0.634
242 HA VAL 35 HA VAL 35 6.692 8.081 0.865
243 HB VAL 35 HB VAL 35 8.284 7.086 -0.445
244 1HG1 VAL 35 1HG1 VAL 35 6.646 4.913 0.767
245 2HG1 VAL 35 2HG1 VAL 35 8.392 4.912 0.448
246 3HG1 VAL 35 3HG1 VAL 35 7.749 6.047 1.635
247 1HG2 VAL 35 1HG2 VAL 35 7.393 6.547 -2.538
248 2HG2 VAL 35 2HG2 VAL 35 7.840 4.998 -1.785
249 3HG2 VAL 35 3HG2 VAL 35 6.149 5.482 -1.821
250 H THR 36 H THR 36 7.584 9.680 0.062
251 HA THR 36 HA THR 36 7.568 10.197 -2.842
252 HB THR 36 HB THR 36 8.120 12.557 -2.455
253 HG1 THR 36 HG1 THR 36 8.814 12.371 -0.287
254 1HG2 THR 36 1HG2 THR 36 5.836 13.291 -2.000
255 2HG2 THR 36 2HG2 THR 36 5.812 11.802 -2.981
256 3HG2 THR 36 3HG2 THR 36 5.446 11.724 -1.243
257 H THR 37 H THR 37 8.832 8.162 -1.858
258 HA THR 37 HA THR 37 11.408 8.432 -0.903
259 HB THR 37 HB THR 37 11.663 6.182 -2.033
260 HG1 THR 37 HG1 THR 37 9.784 5.187 -2.374
261 1HG2 THR 37 1HG2 THR 37 10.593 5.093 -0.150
262 2HG2 THR 37 2HG2 THR 37 11.798 6.324 0.230
263 3HG2 THR 37 3HG2 THR 37 10.105 6.704 0.458
264 H THR 38 H THR 38 12.875 7.440 -2.523
265 HA THR 38 HA THR 38 13.362 8.354 -5.245
266 HB THR 38 HB THR 38 14.569 6.163 -5.316
267 HG1 THR 38 HG1 THR 38 13.966 6.018 -2.569
268 1HG2 THR 38 1HG2 THR 38 15.379 7.969 -3.007
269 2HG2 THR 38 2HG2 THR 38 16.437 6.849 -3.884
270 3HG2 THR 38 3HG2 THR 38 15.756 8.252 -4.721
271 H THR 39 H THR 39 11.999 5.199 -3.913
272 HA THR 39 HA THR 39 9.748 4.904 -5.536
273 HB THR 39 HB THR 39 11.843 2.959 -5.806
274 HG1 THR 39 HG1 THR 39 13.093 4.696 -6.456
275 1HG2 THR 39 1HG2 THR 39 10.914 2.630 -8.089
276 2HG2 THR 39 2HG2 THR 39 9.637 2.608 -6.858
277 3HG2 THR 39 3HG2 THR 39 9.896 4.076 -7.834
278 H CYS 40 H CYS 40 9.102 2.661 -5.072
279 HA CYS 40 HA CYS 40 8.527 2.459 -2.483
280 1HB CYS 40 1HB CYS 40 8.473 0.221 -4.539
281 2HB CYS 40 2HB CYS 40 7.856 -0.003 -2.912
282 HA PRO 41 HA PRO 41 12.308 1.340 -0.579
283 1HB PRO 41 1HB PRO 41 11.603 1.549 2.030
284 2HB PRO 41 2HB PRO 41 11.562 2.943 0.920
285 1HG PRO 41 1HG PRO 41 9.234 1.146 1.676
286 2HG PRO 41 2HG PRO 41 9.307 2.927 1.754
287 1HD PRO 41 1HD PRO 41 8.236 1.720 -0.411
288 2HD PRO 41 2HD PRO 41 9.285 3.157 -0.580
289 H SER 42 H SER 42 13.233 -0.021 1.048
290 HA SER 42 HA SER 42 12.874 -2.812 0.844
291 1HB SER 42 1HB SER 42 14.881 -1.509 1.593
292 2HB SER 42 2HB SER 42 14.019 -1.133 3.108
293 HG SER 42 HG SER 42 14.685 -3.727 2.129
294 H SER 43 H SER 43 11.422 -0.312 3.012
295 HA SER 43 HA SER 43 10.491 -2.073 5.054
296 1HB SER 43 2HB SER 43 9.797 0.662 4.222
297 2HB SER 43 1HB SER 43 9.219 -0.098 5.701
298 HG SER 43 HG SER 43 11.930 0.389 5.026
299 H HIS 44 H HIS 44 9.446 -1.059 1.945
300 HA HIS 44 HA HIS 44 6.890 -2.612 2.107
301 1HB HIS 44 1HB HIS 44 6.989 0.366 1.635
302 2HB HIS 44 2HB HIS 44 5.639 -0.658 1.166
303 HD1 HIS 44 HD1 HIS 44 7.473 0.411 4.353
304 HD2 HIS 44 HD2 HIS 44 3.919 -1.418 3.066
305 HE1 HIS 44 HE1 HIS 44 5.989 0.127 6.411
306 HE2 HIS 44 HE2 HIS 44 3.818 -1.003 5.649
307 HA PRO 45 HA PRO 45 9.495 -2.735 -1.765
308 1HB PRO 45 1HB PRO 45 9.209 -5.414 -2.466
309 2HB PRO 45 2HB PRO 45 10.378 -4.766 -1.291
310 1HG PRO 45 1HG PRO 45 7.634 -5.913 -0.703
311 2HG PRO 45 2HG PRO 45 9.189 -6.343 0.072
312 1HD PRO 45 1HD PRO 45 7.591 -4.602 1.281
313 2HD PRO 45 2HD PRO 45 9.315 -4.209 1.176
314 H SER 46 H SER 46 6.006 -3.778 -1.648
315 HA SER 46 HA SER 46 5.961 -4.065 -4.568
316 1HB SER 46 1HB SER 46 4.737 -5.706 -3.334
317 2HB SER 46 2HB SER 46 3.914 -4.519 -2.370
318 HG SER 46 HG SER 46 2.976 -3.794 -4.401
319 HXT SER 46 HO OH 47 3.443 -1.049 -3.800
Start of MODEL 3
1 1H LYS 1 1H LYS 1 2.361 8.690 -3.902
2 2H LYS 1 2H LYS 1 3.897 8.902 -3.337
3 3H LYS 1 3H LYS 1 3.623 8.743 -4.956
4 HA LYS 1 HA LYS 1 2.865 6.550 -4.693
5 1HB LYS 1 1HB LYS 1 5.217 6.914 -5.224
6 2HB LYS 1 2HB LYS 1 5.587 7.133 -3.531
7 1HG LYS 1 1HG LYS 1 6.368 4.969 -4.045
8 2HG LYS 1 2HG LYS 1 4.896 4.704 -3.133
9 1HD LYS 1 1HD LYS 1 4.734 3.160 -4.869
10 2HD LYS 1 2HD LYS 1 3.698 4.480 -5.403
11 1HE LYS 1 1HE LYS 1 5.044 3.754 -7.296
12 2HE LYS 1 2HE LYS 1 5.675 5.334 -6.806
13 1HZ LYS 1 1HZ LYS 1 7.408 4.164 -5.634
14 2HZ LYS 1 2HZ LYS 1 6.793 2.712 -6.109
15 3HZ LYS 1 3HZ LYS 1 7.397 3.764 -7.227
16 H SER 2 H SER 2 2.426 4.765 -3.450
17 HA SER 2 HA SER 2 2.365 4.792 -0.501
18 1HB SER 2 1HB SER 2 -0.159 4.694 -2.236
19 2HB SER 2 2HB SER 2 -0.095 4.188 -0.544
20 HG SER 2 HG SER 2 0.552 6.774 -1.511
21 H CYS 3 H CYS 3 3.661 3.080 -0.314
22 HA CYS 3 HA CYS 3 3.475 1.061 -2.427
23 1HB CYS 3 1HB CYS 3 5.557 2.310 -2.201
24 2HB CYS 3 2HB CYS 3 5.839 1.489 -0.651
25 H CYS 4 H CYS 4 3.504 -1.322 -1.771
26 HA CYS 4 HA CYS 4 2.399 -1.813 0.918
27 1HB CYS 4 1HB CYS 4 2.169 -3.144 -1.784
28 2HB CYS 4 2HB CYS 4 1.510 -3.802 -0.333
29 H ARG 5 H ARG 5 3.021 -3.410 2.155
30 HA ARG 5 HA ARG 5 5.699 -4.104 1.747
31 1HB ARG 5 1HB ARG 5 5.775 -5.159 3.863
32 2HB ARG 5 2HB ARG 5 5.119 -3.521 3.879
33 1HG ARG 5 1HG ARG 5 2.773 -4.567 3.985
34 2HG ARG 5 2HG ARG 5 3.587 -6.138 4.210
35 1HD ARG 5 1HD ARG 5 4.956 -5.038 6.059
36 2HD ARG 5 2HD ARG 5 3.935 -3.599 5.879
37 HE ARG 5 HE ARG 5 2.226 -5.820 6.242
38 1HH1 ARG 5 1HH1 ARG 5 4.574 -3.982 8.191
39 2HH1 ARG 5 2HH1 ARG 5 3.797 -4.390 9.702
40 1HH2 ARG 5 1HH2 ARG 5 1.253 -6.334 8.235
41 2HH2 ARG 5 2HH2 ARG 5 1.921 -5.717 9.732
42 H ASN 6 H ASN 6 3.154 -5.552 0.362
43 HA ASN 6 HA ASN 6 4.795 -7.031 -0.956
44 1HB ASN 6 1HB ASN 6 3.642 -9.446 -0.494
45 2HB ASN 6 2HB ASN 6 5.106 -8.941 0.318
46 1HD2 ASN 6 2HD2 ASN 6 1.783 -7.800 1.081
47 2HD2 ASN 6 1HD2 ASN 6 1.750 -8.494 2.692
48 H THR 7 H THR 7 3.893 -8.381 -2.532
49 HA THR 7 HA THR 7 2.005 -6.933 -4.119
50 HB THR 7 HB THR 7 3.149 -9.622 -4.347
51 HG1 THR 7 HG1 THR 7 3.759 -7.129 -5.549
52 1HG2 THR 7 1HG2 THR 7 2.433 -9.264 -6.771
53 2HG2 THR 7 2HG2 THR 7 1.110 -9.548 -5.612
54 3HG2 THR 7 3HG2 THR 7 1.458 -7.882 -6.161
55 H LEU 8 H LEU 8 1.667 -9.377 -1.661
56 HA LEU 8 HA LEU 8 -0.997 -10.274 -1.933
57 1HB LEU 8 2HB LEU 8 1.305 -10.804 -0.508
58 2HB LEU 8 1HB LEU 8 0.558 -9.785 0.503
59 HG LEU 8 HG LEU 8 -0.681 -12.404 -0.418
60 1HD1 LEU 8 1HD2 LEU 8 -0.317 -13.121 1.927
61 2HD1 LEU 8 2HD2 LEU 8 1.214 -12.650 1.165
62 3HD1 LEU 8 3HD2 LEU 8 0.422 -11.548 2.301
63 1HD2 LEU 8 1HD1 LEU 8 -2.507 -10.825 0.007
64 2HD2 LEU 8 2HD1 LEU 8 -2.425 -11.974 1.341
65 3HD2 LEU 8 3HD1 LEU 8 -1.782 -10.333 1.552
66 H ALA 9 H ALA 9 0.791 -7.802 -0.368
67 HA ALA 9 HA ALA 9 -1.528 -6.739 1.166
68 1HB ALA 9 1HB ALA 9 1.220 -5.617 0.830
69 2HB ALA 9 2HB ALA 9 -0.078 -4.777 1.683
70 3HB ALA 9 3HB ALA 9 0.477 -6.378 2.258
71 H ARG 10 H ARG 10 0.292 -5.663 -1.562
72 HA ARG 10 HA ARG 10 -1.112 -3.569 -2.679
73 1HB ARG 10 1HB ARG 10 1.097 -4.381 -3.270
74 2HB ARG 10 2HB ARG 10 0.382 -5.947 -3.636
75 1HG ARG 10 1HG ARG 10 1.096 -4.728 -5.672
76 2HG ARG 10 2HG ARG 10 -0.607 -5.212 -5.650
77 1HD ARG 10 1HD ARG 10 -0.306 -2.964 -6.393
78 2HD ARG 10 2HD ARG 10 -1.268 -3.060 -4.882
79 HE ARG 10 HE ARG 10 1.392 -2.567 -4.133
80 1HH1 ARG 10 1HH1 ARG 10 -1.241 -0.762 -5.708
81 2HH1 ARG 10 2HH1 ARG 10 -0.676 0.770 -5.093
82 1HH2 ARG 10 1HH2 ARG 10 2.138 -0.589 -3.442
83 2HH2 ARG 10 2HH2 ARG 10 1.240 0.875 -3.785
84 H ASN 11 H ASN 11 -1.702 -7.005 -2.845
85 HA ASN 11 HA ASN 11 -3.943 -6.767 -4.742
86 1HB ASN 11 1HB ASN 11 -3.049 -9.107 -3.033
87 2HB ASN 11 2HB ASN 11 -4.469 -9.154 -4.079
88 1HD2 ASN 11 2HD2 ASN 11 -2.439 -10.991 -4.467
89 2HD2 ASN 11 1HD2 ASN 11 -1.623 -10.630 -5.972
90 H CYS 12 H CYS 12 -3.852 -7.447 -1.227
91 HA CYS 12 HA CYS 12 -6.439 -6.978 -0.444
92 1HB CYS 12 1HB CYS 12 -4.828 -7.815 1.087
93 2HB CYS 12 2HB CYS 12 -3.769 -6.441 0.868
94 H TYR 13 H TYR 13 -3.909 -4.635 -1.030
95 HA TYR 13 HA TYR 13 -5.405 -2.329 -0.253
96 1HB TYR 13 1HB TYR 13 -3.016 -2.320 -0.206
97 2HB TYR 13 2HB TYR 13 -2.912 -2.698 -1.917
98 HD1 TYR 13 HD1 TYR 13 -3.198 -0.017 0.541
99 HD2 TYR 13 HD2 TYR 13 -3.264 -1.001 -3.660
100 HE1 TYR 13 HE1 TYR 13 -2.757 2.360 -0.019
101 HE2 TYR 13 HE2 TYR 13 -2.848 1.371 -4.227
102 HH TYR 13 HH TYR 13 -2.498 3.512 -3.411
103 H ASN 14 H ASN 14 -4.846 -3.712 -3.464
104 HA ASN 14 HA ASN 14 -6.353 -1.758 -4.961
105 1HB ASN 14 1HB ASN 14 -5.494 -4.606 -5.614
106 2HB ASN 14 2HB ASN 14 -6.232 -3.494 -6.772
107 1HD2 ASN 14 2HD2 ASN 14 -3.562 -4.801 -6.891
108 2HD2 ASN 14 1HD2 ASN 14 -2.410 -3.490 -7.028
109 H ALA 15 H ALA 15 -7.009 -4.683 -3.232
110 HA ALA 15 HA ALA 15 -9.751 -5.039 -4.095
111 1HB ALA 15 1HB ALA 15 -8.416 -6.950 -3.266
112 2HB ALA 15 2HB ALA 15 -8.277 -6.160 -1.677
113 3HB ALA 15 3HB ALA 15 -9.864 -6.679 -2.262
114 H CYS 16 H CYS 16 -8.169 -3.455 -1.170
115 HA CYS 16 HA CYS 16 -10.724 -2.888 0.038
116 1HB CYS 16 1HB CYS 16 -9.038 -2.809 1.581
117 2HB CYS 16 2HB CYS 16 -7.842 -2.159 0.467
118 H ARG 17 H ARG 17 -8.678 -1.508 -2.460
119 HA ARG 17 HA ARG 17 -10.059 1.024 -2.609
120 1HB ARG 17 2HB ARG 17 -7.642 0.661 -3.305
121 2HB ARG 17 1HB ARG 17 -8.245 -0.285 -4.652
122 1HG ARG 17 1HG ARG 17 -7.779 1.741 -5.628
123 2HG ARG 17 2HG ARG 17 -9.515 1.881 -5.363
124 1HD ARG 17 1HD ARG 17 -7.263 3.059 -3.665
125 2HD ARG 17 2HD ARG 17 -8.321 3.965 -4.748
126 HE ARG 17 HE ARG 17 -8.931 2.781 -2.116
127 1HH1 ARG 17 1HH1 ARG 17 -10.325 4.442 -4.948
128 2HH1 ARG 17 2HH1 ARG 17 -11.856 4.726 -4.151
129 1HH2 ARG 17 1HH2 ARG 17 -10.946 3.166 -1.131
130 2HH2 ARG 17 2HH2 ARG 17 -12.201 4.020 -1.998
131 H PHE 18 H PHE 18 -10.437 -2.170 -4.100
132 HA PHE 18 HA PHE 18 -12.623 -1.561 -5.836
133 1HB PHE 18 1HB PHE 18 -11.277 -3.816 -5.459
134 2HB PHE 18 2HB PHE 18 -12.428 -4.144 -4.233
135 HD1 PHE 18 HD1 PHE 18 -11.976 -3.888 -7.856
136 HD2 PHE 18 HD2 PHE 18 -14.848 -4.433 -4.673
137 HE1 PHE 18 HE1 PHE 18 -13.648 -4.725 -9.501
138 HE2 PHE 18 HE2 PHE 18 -16.513 -5.277 -6.320
139 HZ PHE 18 HZ PHE 18 -15.906 -5.434 -8.733
140 H THR 19 H THR 19 -12.495 -2.792 -2.414
141 HA THR 19 HA THR 19 -15.235 -2.459 -1.908
142 HB THR 19 HB THR 19 -14.773 -3.091 0.226
143 HG1 THR 19 HG1 THR 19 -12.843 -2.905 1.282
144 1HG2 THR 19 1HG2 THR 19 -12.382 -4.539 -0.531
145 2HG2 THR 19 2HG2 THR 19 -13.989 -5.127 -0.152
146 3HG2 THR 19 3HG2 THR 19 -13.633 -4.607 -1.793
147 H GLY 20 H GLY 20 -15.855 -1.262 0.268
148 1HA GLY 20 1HA GLY 20 -15.798 1.645 -0.291
149 2HA GLY 20 2HA GLY 20 -16.819 0.776 0.860
150 H GLY 21 H GLY 21 -13.402 0.138 0.640
151 1HA GLY 21 1HA GLY 21 -12.695 1.382 3.223
152 2HA GLY 21 2HA GLY 21 -11.833 0.087 2.374
153 H SER 22 H SER 22 -11.910 3.374 2.822
154 HA SER 22 HA SER 22 -11.140 4.621 0.503
155 1HB SER 22 2HB SER 22 -10.569 5.289 3.307
156 2HB SER 22 1HB SER 22 -10.550 6.408 1.943
157 HG SER 22 HG SER 22 -12.774 5.986 1.663
158 H GLN 23 H GLN 23 -9.121 5.678 0.642
159 HA GLN 23 HA GLN 23 -7.040 3.788 -0.139
160 1HB GLN 23 1HB GLN 23 -7.369 5.763 -1.468
161 2HB GLN 23 2HB GLN 23 -6.815 6.825 -0.191
162 1HG GLN 23 1HG GLN 23 -5.160 4.595 -1.460
163 2HG GLN 23 2HG GLN 23 -5.122 6.278 -1.988
164 1HE2 GLN 23 2HE2 GLN 23 -2.912 4.572 -0.893
165 2HE2 GLN 23 1HE2 GLN 23 -2.283 5.481 0.462
166 HA PRO 24 HA PRO 24 -4.956 5.277 4.004
167 1HB PRO 24 1HB PRO 24 -7.683 5.962 5.296
168 2HB PRO 24 2HB PRO 24 -6.098 6.507 5.799
169 1HG PRO 24 1HG PRO 24 -7.672 8.136 4.311
170 2HG PRO 24 2HG PRO 24 -5.986 7.924 3.730
171 1HD PRO 24 1HD PRO 24 -8.450 6.326 2.924
172 2HD PRO 24 2HD PRO 24 -7.357 7.209 1.845
173 H THR 25 H THR 25 -8.228 4.136 4.286
174 HA THR 25 HA THR 25 -7.742 2.062 6.191
175 HB THR 25 HB THR 25 -9.734 2.335 4.066
176 HG1 THR 25 HG1 THR 25 -9.924 2.480 6.873
177 1HG2 THR 25 1HG2 THR 25 -10.977 0.386 5.245
178 2HG2 THR 25 2HG2 THR 25 -9.513 -0.111 4.400
179 3HG2 THR 25 3HG2 THR 25 -9.472 0.126 6.151
180 H CYS 26 H CYS 26 -7.263 2.049 2.744
181 HA CYS 26 HA CYS 26 -6.563 -0.773 2.611
182 1HB CYS 26 1HB CYS 26 -5.709 1.414 0.641
183 2HB CYS 26 2HB CYS 26 -5.792 -0.312 0.355
184 H GLY 27 H GLY 27 -4.585 2.138 2.574
185 1HA GLY 27 1HA GLY 27 -2.144 0.784 2.981
186 2HA GLY 27 2HA GLY 27 -2.439 2.503 3.336
187 H ILE 28 H ILE 28 -4.659 1.441 5.302
188 HA ILE 28 HA ILE 28 -2.864 0.817 7.511
189 HB ILE 28 HB ILE 28 -5.881 1.097 7.349
190 1HG1 ILE 28 1HG1 ILE 28 -3.925 2.855 8.937
191 2HG1 ILE 28 2HG1 ILE 28 -4.155 3.182 7.231
192 1HG2 ILE 28 1HG2 ILE 28 -5.811 1.081 9.862
193 2HG2 ILE 28 2HG2 ILE 28 -5.527 -0.463 9.082
194 3HG2 ILE 28 3HG2 ILE 28 -4.139 0.449 9.716
195 1HD1 ILE 28 1HD1 ILE 28 -6.383 3.156 9.306
196 2HD1 ILE 28 2HD1 ILE 28 -5.649 4.583 8.537
197 3HD1 ILE 28 3HD1 ILE 28 -6.580 3.437 7.559
198 H LEU 29 H LEU 29 -5.622 -0.773 6.035
199 HA LEU 29 HA LEU 29 -5.503 -2.926 7.930
200 1HB LEU 29 1HB LEU 29 -6.956 -2.850 5.247
201 2HB LEU 29 2HB LEU 29 -7.130 -4.151 6.433
202 HG LEU 29 HG LEU 29 -7.782 -1.257 6.919
203 1HD1 LEU 29 1HD1 LEU 29 -9.324 -2.349 5.270
204 2HD1 LEU 29 2HD1 LEU 29 -9.616 -3.670 6.415
205 3HD1 LEU 29 3HD1 LEU 29 -10.186 -2.032 6.788
206 1HD2 LEU 29 1HD2 LEU 29 -7.274 -2.311 9.064
207 2HD2 LEU 29 2HD2 LEU 29 -9.016 -2.114 8.950
208 3HD2 LEU 29 3HD2 LEU 29 -8.294 -3.711 8.667
209 H CYS 30 H CYS 30 -4.549 -2.381 4.687
210 HA CYS 30 HA CYS 30 -3.163 -4.987 4.346
211 1HB CYS 30 1HB CYS 30 -3.124 -2.657 2.410
212 2HB CYS 30 2HB CYS 30 -2.782 -4.335 2.119
213 H ASP 31 H ASP 31 -2.313 -2.080 5.925
214 HA ASP 31 HA ASP 31 -0.334 -1.163 6.526
215 1HB ASP 31 1HB ASP 31 0.712 -3.976 6.033
216 2HB ASP 31 2HB ASP 31 1.544 -2.704 6.928
217 HD2 ASP 31 HD2 ASP 31 -1.325 -4.677 6.878
218 H CYS 32 H CYS 32 -0.980 -0.450 4.072
219 HA CYS 32 HA CYS 32 1.677 -0.284 2.578
220 1HB CYS 32 1HB CYS 32 -0.942 0.617 1.365
221 2HB CYS 32 2HB CYS 32 0.609 0.448 0.632
222 H ILE 33 H ILE 33 2.628 1.795 2.220
223 HA ILE 33 HA ILE 33 1.870 3.689 4.419
224 HB ILE 33 HB ILE 33 4.309 4.258 4.370
225 1HG1 ILE 33 1HG1 ILE 33 4.640 1.776 2.647
226 2HG1 ILE 33 2HG1 ILE 33 4.661 3.409 1.979
227 1HG2 ILE 33 1HG2 ILE 33 3.337 2.782 6.033
228 2HG2 ILE 33 2HG2 ILE 33 3.557 1.393 4.972
229 3HG2 ILE 33 3HG2 ILE 33 4.968 2.264 5.619
230 1HD1 ILE 33 1HD1 ILE 33 6.919 2.560 2.370
231 2HD1 ILE 33 2HD1 ILE 33 6.593 3.991 3.369
232 3HD1 ILE 33 3HD1 ILE 33 6.594 2.378 4.104
233 H HIS 34 H HIS 34 3.573 5.760 3.533
234 HA HIS 34 HA HIS 34 2.917 6.308 0.784
235 1HB HIS 34 1HB HIS 34 1.068 7.480 2.017
236 2HB HIS 34 2HB HIS 34 2.269 8.392 2.929
237 HD1 HIS 34 HD1 HIS 34 0.394 8.338 -0.276
238 HD2 HIS 34 HD2 HIS 34 3.892 10.153 1.238
239 HE1 HIS 34 HE1 HIS 34 1.030 10.211 -1.890
240 HE2 HIS 34 HE2 HIS 34 3.155 11.328 -0.980
241 H VAL 35 H VAL 35 4.675 6.674 -0.217
242 HA VAL 35 HA VAL 35 6.905 8.028 1.227
243 HB VAL 35 HB VAL 35 8.383 7.215 -0.330
244 1HG1 VAL 35 1HG1 VAL 35 8.116 6.079 1.756
245 2HG1 VAL 35 2HG1 VAL 35 7.109 4.845 0.894
246 3HG1 VAL 35 3HG1 VAL 35 8.816 5.114 0.457
247 1HG2 VAL 35 1HG2 VAL 35 8.012 5.166 -1.714
248 2HG2 VAL 35 2HG2 VAL 35 6.271 5.431 -1.492
249 3HG2 VAL 35 3HG2 VAL 35 7.293 6.651 -2.330
250 H THR 36 H THR 36 7.723 9.672 0.415
251 HA THR 36 HA THR 36 7.318 10.443 -2.403
252 HB THR 36 HB THR 36 7.931 12.772 -1.884
253 HG1 THR 36 HG1 THR 36 8.942 12.360 0.136
254 1HG2 THR 36 1HG2 THR 36 5.542 12.049 -2.093
255 2HG2 THR 36 2HG2 THR 36 5.468 11.837 -0.337
256 3HG2 THR 36 3HG2 THR 36 5.744 13.451 -1.021
257 H THR 37 H THR 37 8.653 8.354 -1.720
258 HA THR 37 HA THR 37 11.410 8.748 -1.224
259 HB THR 37 HB THR 37 10.182 6.301 -2.000
260 HG1 THR 37 HG1 THR 37 11.203 7.370 0.463
261 1HG2 THR 37 1HG2 THR 37 12.252 5.302 -0.864
262 2HG2 THR 37 2HG2 THR 37 12.517 5.914 -2.475
263 3HG2 THR 37 3HG2 THR 37 13.007 6.889 -1.069
264 H THR 38 H THR 38 12.526 7.652 -3.009
265 HA THR 38 HA THR 38 12.422 8.719 -5.750
266 HB THR 38 HB THR 38 13.937 6.388 -4.802
267 HG1 THR 38 HG1 THR 38 15.666 7.885 -4.695
268 1HG2 THR 38 1HG2 THR 38 14.315 8.135 -7.279
269 2HG2 THR 38 2HG2 THR 38 15.386 6.807 -6.781
270 3HG2 THR 38 3HG2 THR 38 13.729 6.460 -7.289
271 H THR 39 H THR 39 11.735 5.482 -4.231
272 HA THR 39 HA THR 39 9.512 4.756 -5.877
273 HB THR 39 HB THR 39 11.777 2.955 -5.606
274 HG1 THR 39 HG1 THR 39 12.702 3.586 -7.603
275 1HG2 THR 39 1HG2 THR 39 9.743 3.402 -7.799
276 2HG2 THR 39 2HG2 THR 39 11.013 2.146 -7.851
277 3HG2 THR 39 3HG2 THR 39 9.760 2.070 -6.613
278 H CYS 40 H CYS 40 8.995 2.619 -5.035
279 HA CYS 40 HA CYS 40 8.314 2.296 -2.413
280 1HB CYS 40 1HB CYS 40 9.123 0.335 -4.625
281 2HB CYS 40 2HB CYS 40 8.647 -0.296 -3.064
282 HA PRO 41 HA PRO 41 12.393 1.680 -0.421
283 1HB PRO 41 1HB PRO 41 11.597 1.670 2.137
284 2HB PRO 41 2HB PRO 41 11.456 3.134 1.135
285 1HG PRO 41 1HG PRO 41 9.290 1.084 1.687
286 2HG PRO 41 2HG PRO 41 9.207 2.852 1.910
287 1HD PRO 41 1HD PRO 41 8.285 1.643 -0.359
288 2HD PRO 41 2HD PRO 41 9.102 3.213 -0.445
289 H SER 42 H SER 42 13.282 0.249 1.175
290 HA SER 42 HA SER 42 13.028 -2.552 0.623
291 1HB SER 42 1HB SER 42 14.256 -1.009 2.941
292 2HB SER 42 2HB SER 42 14.491 -2.745 2.636
293 HG SER 42 HG SER 42 15.420 -2.178 0.612
294 H SER 43 H SER 43 11.499 -0.317 3.003
295 HA SER 43 HA SER 43 10.692 -2.354 4.862
296 1HB SER 43 1HB SER 43 9.481 -0.482 5.844
297 2HB SER 43 2HB SER 43 11.117 0.038 5.434
298 HG SER 43 HG SER 43 9.530 1.557 4.813
299 H HIS 44 H HIS 44 9.536 -1.061 1.911
300 HA HIS 44 HA HIS 44 6.983 -2.643 1.983
301 1HB HIS 44 1HB HIS 44 7.100 0.357 1.661
302 2HB HIS 44 2HB HIS 44 5.756 -0.653 1.144
303 HD1 HIS 44 HD1 HIS 44 7.659 0.172 4.385
304 HD2 HIS 44 HD2 HIS 44 4.001 -1.385 3.011
305 HE1 HIS 44 HE1 HIS 44 6.187 -0.209 6.434
306 HE2 HIS 44 HE2 HIS 44 3.952 -1.164 5.622
307 HA PRO 45 HA PRO 45 9.410 -2.597 -1.997
308 1HB PRO 45 1HB PRO 45 9.225 -5.251 -2.738
309 2HB PRO 45 2HB PRO 45 10.365 -4.608 -1.526
310 1HG PRO 45 1HG PRO 45 7.645 -5.835 -1.003
311 2HG PRO 45 2HG PRO 45 9.212 -6.278 -0.257
312 1HD PRO 45 1HD PRO 45 7.587 -4.614 1.035
313 2HD PRO 45 2HD PRO 45 9.310 -4.210 0.952
314 H SER 46 H SER 46 5.955 -3.767 -1.756
315 HA SER 46 HA SER 46 5.853 -4.236 -4.634
316 1HB SER 46 1HB SER 46 4.768 -5.864 -3.303
317 2HB SER 46 2HB SER 46 3.900 -4.689 -2.349
318 HG SER 46 HG SER 46 3.691 -5.217 -5.144
319 HXT SER 46 HO OH 47 4.721 -1.110 -5.561
Start of MODEL 4
1 1H LYS 1 1H LYS 1 1.663 8.503 -4.450
2 2H LYS 1 2H LYS 1 2.927 9.206 -3.662
3 3H LYS 1 3H LYS 1 2.929 9.119 -5.310
4 HA LYS 1 HA LYS 1 3.024 6.788 -5.258
5 1HB LYS 1 1HB LYS 1 5.139 8.543 -4.714
6 2HB LYS 1 2HB LYS 1 5.328 7.298 -3.489
7 1HG LYS 1 1HG LYS 1 5.185 6.839 -6.492
8 2HG LYS 1 2HG LYS 1 6.637 6.862 -5.482
9 1HD LYS 1 1HD LYS 1 5.624 4.919 -4.158
10 2HD LYS 1 2HD LYS 1 4.370 4.819 -5.393
11 1HE LYS 1 1HE LYS 1 6.008 3.244 -6.100
12 2HE LYS 1 2HE LYS 1 6.274 4.636 -7.139
13 1HZ LYS 1 1HZ LYS 1 8.297 3.743 -6.264
14 2HZ LYS 1 2HZ LYS 1 8.082 5.282 -5.717
15 3HZ LYS 1 3HZ LYS 1 7.804 3.997 -4.715
16 H SER 2 H SER 2 2.620 4.909 -4.210
17 HA SER 2 HA SER 2 2.318 4.703 -1.247
18 1HB SER 2 1HB SER 2 0.094 5.333 -2.108
19 2HB SER 2 2HB SER 2 0.181 4.040 -3.331
20 HG SER 2 HG SER 2 -0.979 3.438 -1.462
21 H CYS 3 H CYS 3 3.302 2.935 -0.567
22 HA CYS 3 HA CYS 3 3.996 0.790 -2.512
23 1HB CYS 3 1HB CYS 3 5.607 2.078 -0.311
24 2HB CYS 3 2HB CYS 3 6.100 0.661 -1.247
25 H CYS 4 H CYS 4 3.603 -1.364 -1.767
26 HA CYS 4 HA CYS 4 2.409 -1.736 0.902
27 1HB CYS 4 1HB CYS 4 2.107 -3.064 -1.802
28 2HB CYS 4 2HB CYS 4 1.470 -3.735 -0.346
29 H ARG 5 H ARG 5 2.878 -3.487 2.124
30 HA ARG 5 HA ARG 5 5.606 -4.100 1.786
31 1HB ARG 5 1HB ARG 5 5.717 -5.046 3.885
32 2HB ARG 5 2HB ARG 5 4.902 -3.472 3.881
33 1HG ARG 5 1HG ARG 5 2.681 -4.714 4.008
34 2HG ARG 5 2HG ARG 5 3.607 -6.223 4.187
35 1HD ARG 5 1HD ARG 5 4.918 -5.145 6.052
36 2HD ARG 5 2HD ARG 5 3.872 -3.719 5.921
37 HE ARG 5 HE ARG 5 2.144 -5.897 6.230
38 1HH1 ARG 5 1HH1 ARG 5 4.690 -4.387 8.218
39 2HH1 ARG 5 2HH1 ARG 5 3.953 -4.880 9.724
40 1HH2 ARG 5 1HH2 ARG 5 1.231 -6.542 8.219
41 2HH2 ARG 5 2HH2 ARG 5 2.007 -6.114 9.725
42 H ASN 6 H ASN 6 3.143 -5.524 0.306
43 HA ASN 6 HA ASN 6 4.808 -6.963 -1.020
44 1HB ASN 6 1HB ASN 6 3.604 -9.390 -0.624
45 2HB ASN 6 2HB ASN 6 5.100 -8.914 0.154
46 1HD2 ASN 6 2HD2 ASN 6 1.767 -7.844 1.035
47 2HD2 ASN 6 1HD2 ASN 6 1.810 -8.544 2.637
48 H THR 7 H THR 7 3.828 -8.360 -2.594
49 HA THR 7 HA THR 7 2.002 -6.785 -4.201
50 HB THR 7 HB THR 7 3.118 -9.468 -4.521
51 HG1 THR 7 HG1 THR 7 3.770 -6.948 -5.627
52 1HG2 THR 7 1HG2 THR 7 2.394 -9.032 -6.933
53 2HG2 THR 7 2HG2 THR 7 1.047 -9.293 -5.798
54 3HG2 THR 7 3HG2 THR 7 1.469 -7.636 -6.304
55 H LEU 8 H LEU 8 1.763 -9.419 -1.918
56 HA LEU 8 HA LEU 8 -0.954 -10.206 -2.089
57 1HB LEU 8 1HB LEU 8 1.344 -10.659 -0.515
58 2HB LEU 8 2HB LEU 8 0.451 -9.759 0.571
59 HG LEU 8 HG LEU 8 -0.561 -12.340 -0.656
60 1HD1 LEU 8 1HD1 LEU 8 1.243 -12.600 1.039
61 2HD1 LEU 8 2HD1 LEU 8 0.327 -11.592 2.174
62 3HD1 LEU 8 3HD1 LEU 8 -0.307 -13.174 1.681
63 1HD2 LEU 8 1HD2 LEU 8 -1.864 -10.434 1.356
64 2HD2 LEU 8 2HD2 LEU 8 -2.474 -10.854 -0.258
65 3HD2 LEU 8 3HD2 LEU 8 -2.439 -12.080 1.014
66 H ALA 9 H ALA 9 0.804 -7.724 -0.482
67 HA ALA 9 HA ALA 9 -1.527 -6.757 1.072
68 1HB ALA 9 1HB ALA 9 -0.075 -4.829 1.681
69 2HB ALA 9 2HB ALA 9 0.469 -6.454 2.174
70 3HB ALA 9 3HB ALA 9 1.224 -5.625 0.780
71 H ARG 10 H ARG 10 0.285 -5.609 -1.633
72 HA ARG 10 HA ARG 10 -1.130 -3.480 -2.669
73 1HB ARG 10 1HB ARG 10 1.078 -4.275 -3.296
74 2HB ARG 10 2HB ARG 10 0.371 -5.826 -3.699
75 1HG ARG 10 1HG ARG 10 1.080 -4.562 -5.703
76 2HG ARG 10 2HG ARG 10 -0.621 -5.058 -5.699
77 1HD ARG 10 1HD ARG 10 -0.326 -2.779 -6.383
78 2HD ARG 10 2HD ARG 10 -1.314 -2.946 -4.882
79 HE ARG 10 HE ARG 10 1.326 -2.436 -4.081
80 1HH1 ARG 10 1HH1 ARG 10 -1.323 -0.637 -5.610
81 2HH1 ARG 10 2HH1 ARG 10 -0.820 0.891 -4.929
82 1HH2 ARG 10 1HH2 ARG 10 1.976 -0.483 -3.237
83 2HH2 ARG 10 2HH2 ARG 10 1.078 0.982 -3.572
84 H ASN 11 H ASN 11 -1.721 -6.918 -2.919
85 HA ASN 11 HA ASN 11 -3.972 -6.615 -4.796
86 1HB ASN 11 1HB ASN 11 -3.073 -9.024 -3.181
87 2HB ASN 11 2HB ASN 11 -4.477 -9.024 -4.248
88 1HD2 ASN 11 2HD2 ASN 11 -2.448 -10.845 -4.674
89 2HD2 ASN 11 1HD2 ASN 11 -1.606 -10.426 -6.149
90 H CYS 12 H CYS 12 -3.852 -7.396 -1.303
91 HA CYS 12 HA CYS 12 -6.432 -6.960 -0.477
92 1HB CYS 12 1HB CYS 12 -4.801 -7.834 1.009
93 2HB CYS 12 2HB CYS 12 -3.751 -6.446 0.817
94 H TYR 13 H TYR 13 -3.915 -4.591 -1.025
95 HA TYR 13 HA TYR 13 -5.429 -2.308 -0.205
96 1HB TYR 13 1HB TYR 13 -3.036 -2.273 -0.165
97 2HB TYR 13 2HB TYR 13 -2.932 -2.627 -1.880
98 HD1 TYR 13 HD1 TYR 13 -3.149 0.018 0.593
99 HD2 TYR 13 HD2 TYR 13 -3.394 -0.920 -3.609
100 HE1 TYR 13 HE1 TYR 13 -2.846 2.417 0.045
101 HE2 TYR 13 HE2 TYR 13 -3.098 1.484 -4.167
102 HH TYR 13 HH TYR 13 -2.855 3.632 -3.336
103 H ASN 14 H ASN 14 -4.879 -3.647 -3.447
104 HA ASN 14 HA ASN 14 -6.427 -1.668 -4.885
105 1HB ASN 14 1HB ASN 14 -5.560 -4.508 -5.621
106 2HB ASN 14 2HB ASN 14 -6.313 -3.354 -6.735
107 1HD2 ASN 14 2HD2 ASN 14 -3.616 -4.669 -6.870
108 2HD2 ASN 14 1HD2 ASN 14 -2.479 -3.347 -6.994
109 H ALA 15 H ALA 15 -7.039 -4.613 -3.182
110 HA ALA 15 HA ALA 15 -9.799 -4.968 -4.013
111 1HB ALA 15 1HB ALA 15 -8.459 -6.886 -3.233
112 2HB ALA 15 2HB ALA 15 -8.292 -6.110 -1.632
113 3HB ALA 15 3HB ALA 15 -9.889 -6.616 -2.200
114 H CYS 16 H CYS 16 -8.158 -3.408 -1.102
115 HA CYS 16 HA CYS 16 -10.682 -2.837 0.152
116 1HB CYS 16 1HB CYS 16 -8.964 -2.775 1.651
117 2HB CYS 16 2HB CYS 16 -7.794 -2.109 0.522
118 H ARG 17 H ARG 17 -8.706 -1.434 -2.387
119 HA ARG 17 HA ARG 17 -10.079 1.103 -2.513
120 1HB ARG 17 2HB ARG 17 -7.676 0.647 -3.316
121 2HB ARG 17 1HB ARG 17 -8.389 -0.240 -4.652
122 1HG ARG 17 1HG ARG 17 -7.921 1.792 -5.598
123 2HG ARG 17 2HG ARG 17 -9.628 2.015 -5.197
124 1HD ARG 17 1HD ARG 17 -7.205 2.988 -3.607
125 2HD ARG 17 2HD ARG 17 -8.228 3.998 -4.616
126 HE ARG 17 HE ARG 17 -8.891 2.750 -2.002
127 1HH1 ARG 17 1HH1 ARG 17 -10.017 4.934 -4.595
128 2HH1 ARG 17 2HH1 ARG 17 -11.454 5.389 -3.707
129 1HH2 ARG 17 1HH2 ARG 17 -10.768 3.330 -0.932
130 2HH2 ARG 17 2HH2 ARG 17 -11.873 4.495 -1.627
131 H PHE 18 H PHE 18 -10.507 -2.100 -3.981
132 HA PHE 18 HA PHE 18 -12.723 -1.492 -5.670
133 1HB PHE 18 1HB PHE 18 -11.358 -3.736 -5.338
134 2HB PHE 18 2HB PHE 18 -12.480 -4.090 -4.094
135 HD1 PHE 18 HD1 PHE 18 -14.921 -4.369 -4.508
136 HD2 PHE 18 HD2 PHE 18 -12.083 -3.825 -7.725
137 HE1 PHE 18 HE1 PHE 18 -16.596 -5.213 -6.133
138 HE2 PHE 18 HE2 PHE 18 -13.766 -4.672 -9.343
139 HZ PHE 18 HZ PHE 18 -16.020 -5.366 -8.554
140 H THR 19 H THR 19 -12.522 -2.744 -2.262
141 HA THR 19 HA THR 19 -15.249 -2.419 -1.688
142 HB THR 19 HB THR 19 -14.723 -3.071 0.431
143 HG1 THR 19 HG1 THR 19 -13.314 -1.554 1.063
144 1HG2 THR 19 1HG2 THR 19 -13.941 -5.105 0.014
145 2HG2 THR 19 2HG2 THR 19 -13.650 -4.562 -1.638
146 3HG2 THR 19 3HG2 THR 19 -12.357 -4.505 -0.415
147 H GLY 20 H GLY 20 -15.794 -1.238 0.518
148 1HA GLY 20 1HA GLY 20 -15.764 1.674 -0.030
149 2HA GLY 20 2HA GLY 20 -16.755 0.796 1.144
150 H GLY 21 H GLY 21 -13.339 0.175 0.806
151 1HA GLY 21 1HA GLY 21 -12.573 1.343 3.404
152 2HA GLY 21 2HA GLY 21 -11.734 0.081 2.486
153 H SER 22 H SER 22 -11.837 3.362 3.057
154 HA SER 22 HA SER 22 -11.048 4.683 0.782
155 1HB SER 22 2HB SER 22 -10.509 5.254 3.613
156 2HB SER 22 1HB SER 22 -10.464 6.417 2.292
157 HG SER 22 HG SER 22 -12.691 6.006 1.965
158 H GLN 23 H GLN 23 -9.040 5.754 0.988
159 HA GLN 23 HA GLN 23 -6.922 3.915 0.141
160 1HB GLN 23 1HB GLN 23 -6.884 6.955 0.218
161 2HB GLN 23 2HB GLN 23 -5.546 5.937 -0.344
162 1HG GLN 23 1HG GLN 23 -7.028 4.914 -2.027
163 2HG GLN 23 2HG GLN 23 -8.386 5.906 -1.473
164 1HE2 GLN 23 2HE2 GLN 23 -8.162 6.245 -3.986
165 2HE2 GLN 23 1HE2 GLN 23 -7.254 7.669 -4.454
166 HA PRO 24 HA PRO 24 -4.888 5.222 4.356
167 1HB PRO 24 1HB PRO 24 -7.622 5.821 5.666
168 2HB PRO 24 2HB PRO 24 -6.050 6.356 6.202
169 1HG PRO 24 1HG PRO 24 -7.648 8.036 4.787
170 2HG PRO 24 2HG PRO 24 -5.953 7.886 4.220
171 1HD PRO 24 1HD PRO 24 -8.381 6.289 3.302
172 2HD PRO 24 2HD PRO 24 -7.292 7.252 2.286
173 H THR 25 H THR 25 -8.157 4.056 4.563
174 HA THR 25 HA THR 25 -7.675 1.911 6.370
175 HB THR 25 HB THR 25 -9.663 2.262 4.257
176 HG1 THR 25 HG1 THR 25 -9.849 2.355 7.066
177 1HG2 THR 25 1HG2 THR 25 -10.923 0.302 5.397
178 2HG2 THR 25 2HG2 THR 25 -9.461 -0.195 4.550
179 3HG2 THR 25 3HG2 THR 25 -9.427 0.012 6.308
180 H CYS 26 H CYS 26 -7.187 2.028 2.927
181 HA CYS 26 HA CYS 26 -6.490 -0.784 2.700
182 1HB CYS 26 1HB CYS 26 -5.636 1.453 0.783
183 2HB CYS 26 2HB CYS 26 -5.726 -0.271 0.465
184 H GLY 27 H GLY 27 -4.512 2.132 2.809
185 1HA GLY 27 1HA GLY 27 -2.089 0.690 3.129
186 2HA GLY 27 2HA GLY 27 -2.298 2.407 3.522
187 H ILE 28 H ILE 28 -4.587 1.324 5.468
188 HA ILE 28 HA ILE 28 -2.793 0.627 7.649
189 HB ILE 28 HB ILE 28 -5.804 0.933 7.495
190 1HG1 ILE 28 1HG1 ILE 28 -3.848 2.622 9.152
191 2HG1 ILE 28 2HG1 ILE 28 -4.065 2.998 7.448
192 1HG2 ILE 28 1HG2 ILE 28 -5.480 -0.685 9.180
193 2HG2 ILE 28 2HG2 ILE 28 -4.096 0.194 9.857
194 3HG2 ILE 28 3HG2 ILE 28 -5.752 0.838 10.010
195 1HD1 ILE 28 1HD1 ILE 28 -6.317 2.935 9.501
196 2HD1 ILE 28 2HD1 ILE 28 -5.551 4.374 8.786
197 3HD1 ILE 28 3HD1 ILE 28 -6.492 3.271 7.767
198 H LEU 29 H LEU 29 -5.564 -0.901 6.129
199 HA LEU 29 HA LEU 29 -5.449 -3.103 7.974
200 1HB LEU 29 1HB LEU 29 -6.909 -2.953 5.292
201 2HB LEU 29 2HB LEU 29 -7.085 -4.287 6.439
202 HG LEU 29 HG LEU 29 -7.738 -1.400 6.989
203 1HD1 LEU 29 1HD1 LEU 29 -9.285 -2.460 5.338
204 2HD1 LEU 29 2HD1 LEU 29 -9.571 -3.800 6.459
205 3HD1 LEU 29 3HD1 LEU 29 -10.135 -2.176 6.869
206 1HD2 LEU 29 1HD2 LEU 29 -8.962 -2.324 9.020
207 2HD2 LEU 29 2HD2 LEU 29 -8.215 -3.900 8.684
208 3HD2 LEU 29 3HD2 LEU 29 -7.212 -2.497 9.120
209 H CYS 30 H CYS 30 -4.504 -2.474 4.736
210 HA CYS 30 HA CYS 30 -3.112 -5.074 4.333
211 1HB CYS 30 1HB CYS 30 -3.096 -2.719 2.439
212 2HB CYS 30 2HB CYS 30 -2.749 -4.393 2.116
213 H ASP 31 H ASP 31 -2.273 -2.215 5.982
214 HA ASP 31 HA ASP 31 -0.292 -1.329 6.625
215 1HB ASP 31 1HB ASP 31 0.789 -4.094 5.961
216 2HB ASP 31 2HB ASP 31 1.552 -2.899 7.010
217 HD2 ASP 31 HD2 ASP 31 -0.754 -3.351 9.658
218 H CYS 32 H CYS 32 -0.937 -0.547 4.157
219 HA CYS 32 HA CYS 32 1.714 -0.326 2.658
220 1HB CYS 32 1HB CYS 32 -0.904 0.633 1.488
221 2HB CYS 32 2HB CYS 32 0.632 0.437 0.743
222 H ILE 33 H ILE 33 2.200 1.989 1.803
223 HA ILE 33 HA ILE 33 1.507 3.993 3.932
224 HB ILE 33 HB ILE 33 3.951 4.586 3.911
225 1HG1 ILE 33 1HG1 ILE 33 4.373 1.911 2.529
226 2HG1 ILE 33 2HG1 ILE 33 4.346 3.431 1.625
227 1HG2 ILE 33 1HG2 ILE 33 2.930 3.203 5.688
228 2HG2 ILE 33 2HG2 ILE 33 3.389 1.741 4.799
229 3HG2 ILE 33 3HG2 ILE 33 4.632 2.841 5.429
230 1HD1 ILE 33 1HD1 ILE 33 6.257 2.840 3.918
231 2HD1 ILE 33 2HD1 ILE 33 6.620 2.659 2.185
232 3HD1 ILE 33 3HD1 ILE 33 6.256 4.259 2.873
233 H HIS 34 H HIS 34 3.051 6.033 3.014
234 HA HIS 34 HA HIS 34 2.618 6.329 0.166
235 1HB HIS 34 1HB HIS 34 0.628 7.449 1.210
236 2HB HIS 34 2HB HIS 34 1.707 8.449 2.183
237 HD1 HIS 34 HD1 HIS 34 -0.052 8.370 -1.033
238 HD2 HIS 34 HD2 HIS 34 3.441 10.175 0.504
239 HE1 HIS 34 HE1 HIS 34 0.592 10.262 -2.630
240 HE2 HIS 34 HE2 HIS 34 2.725 11.355 -1.712
241 H VAL 35 H VAL 35 4.517 6.735 -0.662
242 HA VAL 35 HA VAL 35 6.603 8.002 1.045
243 HB VAL 35 HB VAL 35 8.220 7.188 -0.364
244 1HG1 VAL 35 1HG1 VAL 35 6.695 4.893 0.670
245 2HG1 VAL 35 2HG1 VAL 35 8.443 5.007 0.352
246 3HG1 VAL 35 3HG1 VAL 35 7.749 6.024 1.617
247 1HG2 VAL 35 1HG2 VAL 35 7.320 6.729 -2.527
248 2HG2 VAL 35 2HG2 VAL 35 7.988 5.243 -1.858
249 3HG2 VAL 35 3HG2 VAL 35 6.227 5.480 -1.825
250 H THR 36 H THR 36 7.692 9.607 0.381
251 HA THR 36 HA THR 36 7.565 10.469 -2.438
252 HB THR 36 HB THR 36 8.221 12.740 -1.823
253 HG1 THR 36 HG1 THR 36 7.973 13.399 0.352
254 1HG2 THR 36 1HG2 THR 36 5.819 12.100 -2.202
255 2HG2 THR 36 2HG2 THR 36 5.613 11.894 -0.453
256 3HG2 THR 36 3HG2 THR 36 6.007 13.494 -1.110
257 H THR 37 H THR 37 8.725 8.285 -1.676
258 HA THR 37 HA THR 37 11.460 8.531 -0.983
259 HB THR 37 HB THR 37 10.207 6.089 -1.738
260 HG1 THR 37 HG1 THR 37 10.296 5.823 0.603
261 1HG2 THR 37 1HG2 THR 37 12.096 5.147 -0.293
262 2HG2 THR 37 2HG2 THR 37 12.513 5.641 -1.912
263 3HG2 THR 37 3HG2 THR 37 12.898 6.709 -0.535
264 H THR 38 H THR 38 12.666 7.334 -2.621
265 HA THR 38 HA THR 38 12.819 8.382 -5.340
266 HB THR 38 HB THR 38 14.625 6.627 -5.455
267 HG1 THR 38 HG1 THR 38 15.324 5.717 -3.512
268 1HG2 THR 38 1HG2 THR 38 15.153 8.979 -4.860
269 2HG2 THR 38 2HG2 THR 38 14.880 8.599 -3.144
270 3HG2 THR 38 3HG2 THR 38 16.228 7.846 -4.024
271 H THR 39 H THR 39 12.007 5.221 -3.769
272 HA THR 39 HA THR 39 10.385 4.138 -5.872
273 HB THR 39 HB THR 39 12.611 2.618 -4.809
274 HG1 THR 39 HG1 THR 39 13.044 4.374 -6.987
275 1HG2 THR 39 1HG2 THR 39 11.324 2.732 -7.548
276 2HG2 THR 39 2HG2 THR 39 12.607 1.584 -7.087
277 3HG2 THR 39 3HG2 THR 39 11.031 1.497 -6.293
278 H CYS 40 H CYS 40 9.821 2.022 -4.980
279 HA CYS 40 HA CYS 40 8.674 2.368 -2.427
280 1HB CYS 40 1HB CYS 40 8.617 0.045 -4.369
281 2HB CYS 40 2HB CYS 40 7.900 -0.099 -2.779
282 HA PRO 41 HA PRO 41 12.238 1.474 -0.138
283 1HB PRO 41 1HB PRO 41 11.281 1.669 2.407
284 2HB PRO 41 2HB PRO 41 11.325 3.031 1.266
285 1HG PRO 41 1HG PRO 41 8.983 1.183 1.812
286 2HG PRO 41 2HG PRO 41 9.004 2.971 1.856
287 1HD PRO 41 1HD PRO 41 8.187 1.756 -0.413
288 2HD PRO 41 2HD PRO 41 9.296 3.150 -0.475
289 H SER 42 H SER 42 13.078 0.355 1.696
290 HA SER 42 HA SER 42 13.205 -2.453 1.570
291 1HB SER 42 1HB SER 42 13.740 -0.459 3.813
292 2HB SER 42 2HB SER 42 14.236 -2.161 3.840
293 HG SER 42 HG SER 42 15.915 -0.795 3.112
294 H SER 43 H SER 43 11.017 -0.232 3.363
295 HA SER 43 HA SER 43 10.148 -2.384 5.190
296 1HB SER 43 1HB SER 43 10.188 -0.027 6.050
297 2HB SER 43 2HB SER 43 8.933 0.265 4.935
298 HG SER 43 HG SER 43 7.812 -1.517 6.036
299 H HIS 44 H HIS 44 9.287 -0.912 2.215
300 HA HIS 44 HA HIS 44 6.799 -2.582 2.000
301 1HB HIS 44 1HB HIS 44 6.926 0.326 1.212
302 2HB HIS 44 2HB HIS 44 5.578 -0.788 0.967
303 HD1 HIS 44 HD1 HIS 44 7.606 0.841 3.689
304 HD2 HIS 44 HD2 HIS 44 4.058 -1.323 3.157
305 HE1 HIS 44 HE1 HIS 44 6.688 0.501 5.992
306 HE2 HIS 44 HE2 HIS 44 4.383 -0.732 5.726
307 HA PRO 45 HA PRO 45 9.557 -2.994 -1.785
308 1HB PRO 45 1HB PRO 45 8.989 -5.643 -2.446
309 2HB PRO 45 2HB PRO 45 10.238 -5.097 -1.306
310 1HG PRO 45 1HG PRO 45 7.399 -5.936 -0.649
311 2HG PRO 45 2HG PRO 45 8.915 -6.527 0.096
312 1HD PRO 45 1HD PRO 45 7.546 -4.615 1.326
313 2HD PRO 45 2HD PRO 45 9.288 -4.383 1.148
314 H SER 46 H SER 46 5.981 -3.854 -1.669
315 HA SER 46 HA SER 46 5.906 -4.072 -4.587
316 1HB SER 46 1HB SER 46 4.714 -5.739 -3.372
317 2HB SER 46 2HB SER 46 3.908 -4.586 -2.353
318 HG SER 46 HG SER 46 2.928 -3.798 -4.335
319 HXT SER 46 HO OH 47 6.596 -1.890 -4.815
Start of MODEL 5
1 1H LYS 1 1H LYS 1 3.416 9.557 -3.366
2 2H LYS 1 2H LYS 1 3.335 9.522 -5.010
3 3H LYS 1 3H LYS 1 2.083 8.939 -4.110
4 HA LYS 1 HA LYS 1 3.328 7.189 -5.035
5 1HB LYS 1 1HB LYS 1 5.543 8.835 -4.499
6 2HB LYS 1 2HB LYS 1 5.721 7.535 -3.330
7 1HG LYS 1 1HG LYS 1 5.460 7.197 -6.341
8 2HG LYS 1 2HG LYS 1 6.944 7.116 -5.383
9 1HD LYS 1 1HD LYS 1 5.853 5.194 -4.077
10 2HD LYS 1 2HD LYS 1 4.587 5.187 -5.306
11 1HE LYS 1 1HE LYS 1 6.126 3.527 -6.026
12 2HE LYS 1 2HE LYS 1 6.444 4.919 -7.064
13 1HZ LYS 1 1HZ LYS 1 8.440 3.918 -6.242
14 2HZ LYS 1 2HZ LYS 1 8.308 5.451 -5.643
15 3HZ LYS 1 3HZ LYS 1 7.978 4.153 -4.678
16 H SER 2 H SER 2 2.811 5.309 -4.045
17 HA SER 2 HA SER 2 2.583 4.983 -1.086
18 1HB SER 2 1HB SER 2 0.270 4.821 -3.078
19 2HB SER 2 2HB SER 2 0.238 4.181 -1.423
20 HG SER 2 HG SER 2 0.671 6.297 -0.685
21 H CYS 3 H CYS 3 3.444 3.160 -0.574
22 HA CYS 3 HA CYS 3 3.895 1.088 -2.662
23 1HB CYS 3 1HB CYS 3 5.684 2.275 -0.536
24 2HB CYS 3 2HB CYS 3 6.067 0.793 -1.410
25 H CYS 4 H CYS 4 3.646 -1.145 -1.927
26 HA CYS 4 HA CYS 4 2.280 -1.428 0.679
27 1HB CYS 4 1HB CYS 4 2.090 -2.820 -2.003
28 2HB CYS 4 2HB CYS 4 1.450 -3.504 -0.566
29 H ARG 5 H ARG 5 2.533 -3.081 1.807
30 HA ARG 5 HA ARG 5 5.055 -3.830 2.449
31 1HB ARG 5 1HB ARG 5 3.277 -3.554 4.022
32 2HB ARG 5 2HB ARG 5 2.217 -4.658 3.138
33 1HG ARG 5 1HG ARG 5 2.744 -5.740 5.069
34 2HG ARG 5 2HG ARG 5 3.648 -6.546 3.788
35 1HD ARG 5 1HD ARG 5 5.188 -6.232 5.683
36 2HD ARG 5 2HD ARG 5 5.676 -5.078 4.421
37 HE ARG 5 HE ARG 5 3.813 -3.801 6.126
38 1HH1 ARG 5 1HH1 ARG 5 7.155 -5.028 6.320
39 2HH1 ARG 5 2HH1 ARG 5 7.626 -3.858 7.531
40 1HH2 ARG 5 1HH2 ARG 5 4.462 -2.294 7.686
41 2HH2 ARG 5 2HH2 ARG 5 6.099 -2.310 8.306
42 H ASN 6 H ASN 6 2.945 -5.330 0.179
43 HA ASN 6 HA ASN 6 4.800 -6.733 -1.057
44 1HB ASN 6 1HB ASN 6 3.604 -9.154 -0.613
45 2HB ASN 6 2HB ASN 6 5.111 -8.645 0.121
46 1HD2 ASN 6 2HD2 ASN 6 1.711 -7.749 0.974
47 2HD2 ASN 6 1HD2 ASN 6 1.808 -8.357 2.615
48 H THR 7 H THR 7 3.892 -8.178 -2.625
49 HA THR 7 HA THR 7 2.112 -6.623 -4.245
50 HB THR 7 HB THR 7 3.161 -9.340 -4.520
51 HG1 THR 7 HG1 THR 7 4.686 -7.653 -4.651
52 1HG2 THR 7 1HG2 THR 7 1.557 -7.535 -6.374
53 2HG2 THR 7 2HG2 THR 7 2.442 -8.977 -6.957
54 3HG2 THR 7 3HG2 THR 7 1.094 -9.155 -5.810
55 H LEU 8 H LEU 8 1.795 -9.246 -2.007
56 HA LEU 8 HA LEU 8 -0.922 -9.987 -2.195
57 1HB LEU 8 1HB LEU 8 1.372 -10.465 -0.604
58 2HB LEU 8 2HB LEU 8 0.479 -9.571 0.482
59 HG LEU 8 HG LEU 8 -0.529 -12.162 -0.720
60 1HD1 LEU 8 1HD1 LEU 8 -0.270 -12.952 1.623
61 2HD1 LEU 8 2HD1 LEU 8 1.277 -12.363 0.981
62 3HD1 LEU 8 3HD1 LEU 8 0.338 -11.359 2.099
63 1HD2 LEU 8 1HD2 LEU 8 -2.447 -10.673 -0.346
64 2HD2 LEU 8 2HD2 LEU 8 -2.401 -11.858 0.963
65 3HD2 LEU 8 3HD2 LEU 8 -1.831 -10.205 1.251
66 H ALA 9 H ALA 9 0.828 -7.523 -0.554
67 HA ALA 9 HA ALA 9 -1.464 -6.586 1.022
68 1HB ALA 9 1HB ALA 9 0.563 -6.213 1.998
69 2HB ALA 9 2HB ALA 9 1.147 -5.285 0.579
70 3HB ALA 9 3HB ALA 9 -0.156 -4.627 1.576
71 H ARG 10 H ARG 10 0.190 -5.497 -1.851
72 HA ARG 10 HA ARG 10 -1.382 -3.282 -2.659
73 1HB ARG 10 1HB ARG 10 0.729 -3.758 -3.498
74 2HB ARG 10 2HB ARG 10 0.266 -5.343 -4.093
75 1HG ARG 10 1HG ARG 10 -1.143 -4.517 -5.791
76 2HG ARG 10 2HG ARG 10 -1.261 -2.892 -5.081
77 1HD ARG 10 1HD ARG 10 1.333 -4.166 -5.887
78 2HD ARG 10 2HD ARG 10 0.325 -3.213 -6.998
79 HE ARG 10 HE ARG 10 1.174 -2.082 -4.342
80 1HH1 ARG 10 1HH1 ARG 10 1.178 -1.553 -7.857
81 2HH1 ARG 10 2HH1 ARG 10 1.662 0.118 -7.677
82 1HH2 ARG 10 1HH2 ARG 10 1.861 -0.014 -4.153
83 2HH2 ARG 10 2HH2 ARG 10 2.042 1.009 -5.563
84 H ASN 11 H ASN 11 -1.630 -6.702 -3.197
85 HA ASN 11 HA ASN 11 -4.033 -6.609 -4.853
86 1HB ASN 11 1HB ASN 11 -3.010 -8.932 -3.178
87 2HB ASN 11 2HB ASN 11 -4.377 -9.015 -4.287
88 1HD2 ASN 11 2HD2 ASN 11 -2.198 -10.712 -4.595
89 2HD2 ASN 11 1HD2 ASN 11 -1.376 -10.295 -6.084
90 H CYS 12 H CYS 12 -3.816 -7.346 -1.351
91 HA CYS 12 HA CYS 12 -6.411 -7.075 -0.497
92 1HB CYS 12 1HB CYS 12 -4.688 -7.853 0.955
93 2HB CYS 12 2HB CYS 12 -3.741 -6.391 0.760
94 H TYR 13 H TYR 13 -4.039 -4.564 -1.022
95 HA TYR 13 HA TYR 13 -5.668 -2.391 -0.159
96 1HB TYR 13 1HB TYR 13 -3.312 -2.156 -0.144
97 2HB TYR 13 2HB TYR 13 -3.172 -2.569 -1.837
98 HD1 TYR 13 HD1 TYR 13 -3.433 0.155 0.488
99 HD2 TYR 13 HD2 TYR 13 -3.768 -0.987 -3.654
100 HE1 TYR 13 HE1 TYR 13 -3.103 2.522 -0.186
101 HE2 TYR 13 HE2 TYR 13 -3.464 1.374 -4.337
102 HH TYR 13 HH TYR 13 -3.116 3.552 -3.632
103 H ASN 14 H ASN 14 -5.138 -3.637 -3.422
104 HA ASN 14 HA ASN 14 -6.816 -1.743 -4.814
105 1HB ASN 14 1HB ASN 14 -5.853 -4.536 -5.571
106 2HB ASN 14 2HB ASN 14 -6.700 -3.439 -6.658
107 1HD2 ASN 14 2HD2 ASN 14 -3.970 -4.622 -6.907
108 2HD2 ASN 14 1HD2 ASN 14 -2.891 -3.252 -7.088
109 H ALA 15 H ALA 15 -7.208 -4.781 -3.194
110 HA ALA 15 HA ALA 15 -9.971 -5.231 -3.886
111 1HB ALA 15 1HB ALA 15 -8.487 -7.075 -3.169
112 2HB ALA 15 2HB ALA 15 -8.345 -6.329 -1.558
113 3HB ALA 15 3HB ALA 15 -9.916 -6.920 -2.108
114 H CYS 16 H CYS 16 -8.363 -3.608 -1.001
115 HA CYS 16 HA CYS 16 -10.879 -3.243 0.333
116 1HB CYS 16 1HB CYS 16 -9.158 -3.083 1.813
117 2HB CYS 16 2HB CYS 16 -8.035 -2.366 0.670
118 H ARG 17 H ARG 17 -9.074 -1.658 -2.213
119 HA ARG 17 HA ARG 17 -10.558 0.831 -2.213
120 1HB ARG 17 2HB ARG 17 -8.199 0.624 -3.045
121 2HB ARG 17 1HB ARG 17 -8.793 -0.398 -4.349
122 1HG ARG 17 1HG ARG 17 -8.463 1.631 -5.361
123 2HG ARG 17 2HG ARG 17 -10.207 1.629 -5.105
124 1HD ARG 17 1HD ARG 17 -8.114 3.024 -3.357
125 2HD ARG 17 2HD ARG 17 -9.041 3.806 -4.631
126 HE ARG 17 HE ARG 17 -10.113 2.652 -2.085
127 1HH1 ARG 17 1HH1 ARG 17 -10.502 5.138 -4.627
128 2HH1 ARG 17 2HH1 ARG 17 -11.879 5.847 -3.818
129 1HH2 ARG 17 1HH2 ARG 17 -11.900 3.562 -1.143
130 2HH2 ARG 17 2HH2 ARG 17 -12.678 4.958 -1.857
131 H PHE 18 H PHE 18 -10.837 -2.341 -3.809
132 HA PHE 18 HA PHE 18 -13.117 -1.817 -5.431
133 1HB PHE 18 1HB PHE 18 -11.590 -3.974 -5.208
134 2HB PHE 18 2HB PHE 18 -12.674 -4.452 -3.965
135 HD1 PHE 18 HD1 PHE 18 -12.332 -3.978 -7.587
136 HD2 PHE 18 HD2 PHE 18 -15.087 -4.907 -4.384
137 HE1 PHE 18 HE1 PHE 18 -13.951 -4.880 -9.242
138 HE2 PHE 18 HE2 PHE 18 -16.697 -5.821 -6.043
139 HZ PHE 18 HZ PHE 18 -16.137 -5.809 -8.464
140 H THR 19 H THR 19 -12.789 -3.212 -2.087
141 HA THR 19 HA THR 19 -15.524 -3.134 -1.469
142 HB THR 19 HB THR 19 -14.887 -3.811 0.642
143 HG1 THR 19 HG1 THR 19 -12.896 -3.521 1.548
144 1HG2 THR 19 1HG2 THR 19 -14.080 -5.782 0.024
145 2HG2 THR 19 2HG2 THR 19 -13.686 -5.125 -1.555
146 3HG2 THR 19 3HG2 THR 19 -12.484 -5.101 -0.246
147 H GLY 20 H GLY 20 -16.087 -2.078 0.829
148 1HA GLY 20 1HA GLY 20 -16.225 0.861 0.435
149 2HA GLY 20 2HA GLY 20 -17.124 -0.117 1.604
150 H GLY 21 H GLY 21 -13.697 -0.568 1.107
151 1HA GLY 21 1HA GLY 21 -12.860 0.872 3.503
152 2HA GLY 21 2HA GLY 21 -11.926 -0.286 2.540
153 H SER 22 H SER 22 -11.796 2.588 3.111
154 HA SER 22 HA SER 22 -11.966 4.414 1.023
155 1HB SER 22 2HB SER 22 -10.153 4.482 3.307
156 2HB SER 22 1HB SER 22 -10.817 5.841 2.396
157 HG SER 22 HG SER 22 -12.264 4.062 4.035
158 H GLN 23 H GLN 23 -9.285 5.296 1.386
159 HA GLN 23 HA GLN 23 -7.570 3.444 -0.191
160 1HB GLN 23 1HB GLN 23 -8.147 5.260 -1.655
161 2HB GLN 23 2HB GLN 23 -7.599 6.477 -0.532
162 1HG GLN 23 1HG GLN 23 -5.837 4.305 -1.758
163 2HG GLN 23 2HG GLN 23 -6.005 5.937 -2.407
164 1HE2 GLN 23 2HE2 GLN 23 -5.759 7.706 -0.436
165 2HE2 GLN 23 1HE2 GLN 23 -4.256 7.491 0.441
166 HA PRO 24 HA PRO 24 -5.103 5.328 3.565
167 1HB PRO 24 1HB PRO 24 -7.683 6.117 5.059
168 2HB PRO 24 2HB PRO 24 -6.051 6.674 5.353
169 1HG PRO 24 1HG PRO 24 -7.753 8.223 3.908
170 2HG PRO 24 2HG PRO 24 -6.143 7.930 3.166
171 1HD PRO 24 1HD PRO 24 -8.683 6.324 2.822
172 2HD PRO 24 2HD PRO 24 -7.758 7.088 1.521
173 H THR 25 H THR 25 -8.313 4.195 4.262
174 HA THR 25 HA THR 25 -7.638 2.251 6.211
175 HB THR 25 HB THR 25 -9.774 2.349 4.209
176 HG1 THR 25 HG1 THR 25 -11.046 2.872 6.054
177 1HG2 THR 25 1HG2 THR 25 -10.949 0.517 5.635
178 2HG2 THR 25 2HG2 THR 25 -9.551 -0.054 4.737
179 3HG2 THR 25 3HG2 THR 25 -9.382 0.316 6.454
180 H CYS 26 H CYS 26 -7.393 2.048 2.744
181 HA CYS 26 HA CYS 26 -6.758 -0.811 2.696
182 1HB CYS 26 1HB CYS 26 -6.089 1.301 0.586
183 2HB CYS 26 2HB CYS 26 -6.130 -0.431 0.387
184 H GLY 27 H GLY 27 -4.805 2.093 2.405
185 1HA GLY 27 1HA GLY 27 -2.330 0.804 2.850
186 2HA GLY 27 2HA GLY 27 -2.639 2.515 3.199
187 H ILE 28 H ILE 28 -4.847 1.584 5.209
188 HA ILE 28 HA ILE 28 -3.036 0.957 7.373
189 HB ILE 28 HB ILE 28 -6.130 0.922 7.421
190 1HG1 ILE 28 1HG1 ILE 28 -5.895 3.196 7.109
191 2HG1 ILE 28 2HG1 ILE 28 -5.700 3.119 8.835
192 1HG2 ILE 28 1HG2 ILE 28 -5.832 1.135 9.872
193 2HG2 ILE 28 2HG2 ILE 28 -5.279 -0.386 9.198
194 3HG2 ILE 28 3HG2 ILE 28 -4.076 0.852 9.617
195 1HD1 ILE 28 1HD1 ILE 28 -3.211 3.054 8.483
196 2HD1 ILE 28 2HD1 ILE 28 -3.506 3.326 6.744
197 3HD1 ILE 28 3HD1 ILE 28 -4.020 4.547 7.913
198 H LEU 29 H LEU 29 -5.732 -0.788 6.073
199 HA LEU 29 HA LEU 29 -5.445 -2.997 7.942
200 1HB LEU 29 1HB LEU 29 -7.017 -2.924 5.330
201 2HB LEU 29 2HB LEU 29 -7.158 -4.181 6.554
202 HG LEU 29 HG LEU 29 -7.791 -1.259 6.966
203 1HD1 LEU 29 1HD2 LEU 29 -10.181 -1.989 6.954
204 2HD1 LEU 29 2HD2 LEU 29 -9.384 -2.390 5.416
205 3HD1 LEU 29 3HD2 LEU 29 -9.667 -3.658 6.628
206 1HD2 LEU 29 1HD1 LEU 29 -7.184 -2.242 9.116
207 2HD2 LEU 29 2HD1 LEU 29 -8.936 -2.035 9.071
208 3HD2 LEU 29 3HD1 LEU 29 -8.234 -3.644 8.816
209 H CYS 30 H CYS 30 -4.622 -2.357 4.669
210 HA CYS 30 HA CYS 30 -3.188 -4.940 4.314
211 1HB CYS 30 1HB CYS 30 -3.309 -2.664 2.331
212 2HB CYS 30 2HB CYS 30 -2.890 -4.333 2.057
213 H ASP 31 H ASP 31 -2.396 -1.992 5.843
214 HA ASP 31 HA ASP 31 -0.434 -1.063 6.435
215 1HB ASP 31 1HB ASP 31 0.715 -3.825 5.828
216 2HB ASP 31 2HB ASP 31 1.449 -2.591 6.839
217 HD2 ASP 31 HD2 ASP 31 0.084 -1.815 8.632
218 H CYS 32 H CYS 32 -1.127 -0.354 3.940
219 HA CYS 32 HA CYS 32 1.527 -0.107 2.453
220 1HB CYS 32 1HB CYS 32 -1.093 0.785 1.232
221 2HB CYS 32 2HB CYS 32 0.475 0.641 0.524
222 H ILE 33 H ILE 33 2.217 2.077 1.772
223 HA ILE 33 HA ILE 33 1.539 4.045 3.950
224 HB ILE 33 HB ILE 33 3.998 4.445 4.057
225 1HG1 ILE 33 1HG1 ILE 33 4.326 1.859 2.498
226 2HG1 ILE 33 2HG1 ILE 33 4.451 3.448 1.716
227 1HG2 ILE 33 1HG2 ILE 33 2.808 3.028 5.675
228 2HG2 ILE 33 2HG2 ILE 33 3.158 1.603 4.688
229 3HG2 ILE 33 3HG2 ILE 33 4.477 2.514 5.449
230 1HD1 ILE 33 1HD1 ILE 33 6.204 2.533 4.022
231 2HD1 ILE 33 2HD1 ILE 33 6.649 2.536 2.310
232 3HD1 ILE 33 3HD1 ILE 33 6.324 4.063 3.150
233 H HIS 34 H HIS 34 3.336 5.989 3.160
234 HA HIS 34 HA HIS 34 2.948 6.509 0.348
235 1HB HIS 34 1HB HIS 34 1.036 7.715 1.460
236 2HB HIS 34 2HB HIS 34 2.194 8.584 2.473
237 HD1 HIS 34 HD1 HIS 34 4.113 9.996 0.911
238 HD2 HIS 34 HD2 HIS 34 0.376 9.021 -0.802
239 HE1 HIS 34 HE1 HIS 34 3.790 11.498 -1.132
240 HE2 HIS 34 HE2 HIS 34 1.516 10.928 -2.169
241 H VAL 35 H VAL 35 4.855 6.858 -0.459
242 HA VAL 35 HA VAL 35 7.028 7.905 1.300
243 HB VAL 35 HB VAL 35 8.580 7.053 -0.170
244 1HG1 VAL 35 1HG1 VAL 35 6.932 4.818 0.818
245 2HG1 VAL 35 2HG1 VAL 35 8.671 4.835 0.441
246 3HG1 VAL 35 3HG1 VAL 35 8.083 5.843 1.770
247 1HG2 VAL 35 1HG2 VAL 35 8.205 5.202 -1.746
248 2HG2 VAL 35 2HG2 VAL 35 6.465 5.529 -1.668
249 3HG2 VAL 35 3HG2 VAL 35 7.612 6.753 -2.322
250 H THR 36 H THR 36 8.211 9.470 0.675
251 HA THR 36 HA THR 36 8.085 10.473 -2.094
252 HB THR 36 HB THR 36 8.890 12.666 -1.392
253 HG1 THR 36 HG1 THR 36 9.781 12.030 0.626
254 1HG2 THR 36 1HG2 THR 36 6.278 11.903 0.019
255 2HG2 THR 36 2HG2 THR 36 6.750 13.519 -0.536
256 3HG2 THR 36 3HG2 THR 36 6.455 12.222 -1.716
257 H THR 37 H THR 37 9.112 8.179 -1.443
258 HA THR 37 HA THR 37 11.863 8.249 -0.772
259 HB THR 37 HB THR 37 10.456 5.914 -1.604
260 HG1 THR 37 HG1 THR 37 10.629 5.545 0.738
261 1HG2 THR 37 1HG2 THR 37 12.303 4.770 -0.270
262 2HG2 THR 37 2HG2 THR 37 12.766 5.337 -1.845
263 3HG2 THR 37 3HG2 THR 37 13.210 6.292 -0.408
264 H THR 38 H THR 38 12.982 7.045 -2.450
265 HA THR 38 HA THR 38 13.137 8.174 -5.168
266 HB THR 38 HB THR 38 14.640 5.897 -4.080
267 HG1 THR 38 HG1 THR 38 15.027 7.813 -2.934
268 1HG2 THR 38 1HG2 THR 38 14.709 5.977 -6.562
269 2HG2 THR 38 2HG2 THR 38 15.187 7.685 -6.495
270 3HG2 THR 38 3HG2 THR 38 16.282 6.429 -5.887
271 H THR 39 H THR 39 12.177 5.004 -3.677
272 HA THR 39 HA THR 39 10.535 4.066 -5.833
273 HB THR 39 HB THR 39 12.620 2.381 -4.741
274 HG1 THR 39 HG1 THR 39 14.134 2.904 -6.388
275 1HG2 THR 39 1HG2 THR 39 11.009 1.383 -6.262
276 2HG2 THR 39 2HG2 THR 39 11.398 2.614 -7.498
277 3HG2 THR 39 3HG2 THR 39 12.598 1.378 -7.036
278 H CYS 40 H CYS 40 9.801 1.983 -4.991
279 HA CYS 40 HA CYS 40 8.673 2.248 -2.405
280 1HB CYS 40 1HB CYS 40 8.637 -0.064 -4.379
281 2HB CYS 40 2HB CYS 40 7.842 -0.150 -2.818
282 HA PRO 41 HA PRO 41 12.347 1.044 -0.267
283 1HB PRO 41 1HB PRO 41 11.500 1.330 2.299
284 2HB PRO 41 2HB PRO 41 11.600 2.701 1.175
285 1HG PRO 41 1HG PRO 41 9.142 1.022 1.779
286 2HG PRO 41 2HG PRO 41 9.283 2.804 1.859
287 1HD PRO 41 1HD PRO 41 8.305 1.681 -0.378
288 2HD PRO 41 2HD PRO 41 9.483 3.015 -0.480
289 H SER 42 H SER 42 13.096 -0.277 1.483
290 HA SER 42 HA SER 42 12.666 -3.089 1.260
291 1HB SER 42 1HB SER 42 13.823 -1.350 3.478
292 2HB SER 42 2HB SER 42 13.957 -3.119 3.397
293 HG SER 42 HG SER 42 15.067 -2.845 1.398
294 H SER 43 H SER 43 11.149 -0.518 3.277
295 HA SER 43 HA SER 43 10.043 -2.207 5.298
296 1HB SER 43 2HB SER 43 9.460 0.522 4.369
297 2HB SER 43 1HB SER 43 8.805 -0.197 5.830
298 HG SER 43 HG SER 43 10.967 -0.440 6.564
299 H HIS 44 H HIS 44 9.202 -1.124 2.150
300 HA HIS 44 HA HIS 44 6.536 -2.535 2.050
301 1HB HIS 44 1HB HIS 44 6.905 0.426 1.693
302 2HB HIS 44 2HB HIS 44 5.498 -0.490 1.166
303 HD1 HIS 44 HD1 HIS 44 7.281 0.505 4.399
304 HD2 HIS 44 HD2 HIS 44 3.794 -1.416 3.064
305 HE1 HIS 44 HE1 HIS 44 5.821 0.092 6.457
306 HE2 HIS 44 HE2 HIS 44 3.679 -1.073 5.657
307 HA PRO 45 HA PRO 45 9.475 -2.930 -1.545
308 1HB PRO 45 1HB PRO 45 9.065 -5.594 -2.139
309 2HB PRO 45 2HB PRO 45 10.144 -5.000 -0.848
310 1HG PRO 45 1HG PRO 45 7.254 -5.873 -0.556
311 2HG PRO 45 2HG PRO 45 8.659 -6.424 0.403
312 1HD PRO 45 1HD PRO 45 7.093 -4.482 1.352
313 2HD PRO 45 2HD PRO 45 8.861 -4.284 1.478
314 H SER 46 H SER 46 5.916 -3.747 -1.559
315 HA SER 46 HA SER 46 5.952 -3.948 -4.503
316 1HB SER 46 1HB SER 46 4.658 -5.549 -3.388
317 2HB SER 46 2HB SER 46 3.885 -4.369 -2.326
318 HG SER 46 HG SER 46 2.947 -3.485 -4.266
319 HXT SER 46 HO OH 47 5.689 -1.500 -2.172
Start of MODEL 6
1 1H LYS 1 1H LYS 1 2.843 9.378 -5.161
2 2H LYS 1 2H LYS 1 1.664 8.830 -4.138
3 3H LYS 1 3H LYS 1 3.081 9.413 -3.531
4 HA LYS 1 HA LYS 1 2.764 7.043 -5.173
5 1HB LYS 1 1HB LYS 1 4.998 8.555 -5.112
6 2HB LYS 1 2HB LYS 1 5.320 7.565 -3.700
7 1HG LYS 1 1HG LYS 1 4.843 6.615 -6.552
8 2HG LYS 1 2HG LYS 1 6.366 6.676 -5.671
9 1HD LYS 1 1HD LYS 1 5.210 5.024 -3.981
10 2HD LYS 1 2HD LYS 1 4.026 4.788 -5.277
11 1HE LYS 1 1HE LYS 1 5.687 3.050 -5.472
12 2HE LYS 1 2HE LYS 1 5.927 4.166 -6.834
13 1HZ LYS 1 1HZ LYS 1 7.726 5.142 -5.601
14 2HZ LYS 1 2HZ LYS 1 7.457 4.118 -4.332
15 3HZ LYS 1 3HZ LYS 1 7.953 3.522 -5.789
16 H SER 2 H SER 2 2.365 5.165 -4.149
17 HA SER 2 HA SER 2 2.353 4.892 -1.183
18 1HB SER 2 1HB SER 2 -0.005 4.404 -3.063
19 2HB SER 2 2HB SER 2 0.076 3.879 -1.378
20 HG SER 2 HG SER 2 -1.002 5.855 -1.584
21 H CYS 3 H CYS 3 3.193 3.014 -0.568
22 HA CYS 3 HA CYS 3 3.575 0.942 -2.644
23 1HB CYS 3 1HB CYS 3 5.627 2.316 -2.264
24 2HB CYS 3 2HB CYS 3 5.678 1.647 -0.619
25 H CYS 4 H CYS 4 3.593 -1.317 -1.794
26 HA CYS 4 HA CYS 4 2.366 -1.686 0.866
27 1HB CYS 4 1HB CYS 4 2.148 -3.070 -1.831
28 2HB CYS 4 2HB CYS 4 1.485 -3.712 -0.367
29 H ARG 5 H ARG 5 2.908 -3.396 2.104
30 HA ARG 5 HA ARG 5 5.612 -4.027 1.737
31 1HB ARG 5 1HB ARG 5 5.694 -5.006 3.875
32 2HB ARG 5 2HB ARG 5 4.934 -3.415 3.868
33 1HG ARG 5 1HG ARG 5 2.673 -4.555 4.000
34 2HG ARG 5 2HG ARG 5 3.528 -6.107 4.135
35 1HD ARG 5 1HD ARG 5 4.870 -5.110 6.043
36 2HD ARG 5 2HD ARG 5 3.850 -3.658 5.938
37 HE ARG 5 HE ARG 5 2.112 -5.856 6.171
38 1HH1 ARG 5 1HH1 ARG 5 4.565 -4.278 8.217
39 2HH1 ARG 5 2HH1 ARG 5 3.810 -4.784 9.704
40 1HH2 ARG 5 1HH2 ARG 5 1.158 -6.505 8.146
41 2HH2 ARG 5 2HH2 ARG 5 1.892 -6.052 9.672
42 H ASN 6 H ASN 6 3.093 -5.513 0.342
43 HA ASN 6 HA ASN 6 4.809 -6.991 -0.938
44 1HB ASN 6 1HB ASN 6 3.496 -9.373 -0.484
45 2HB ASN 6 2HB ASN 6 5.042 -8.939 0.210
46 1HD2 ASN 6 2HD2 ASN 6 1.710 -7.861 1.115
47 2HD2 ASN 6 1HD2 ASN 6 1.797 -8.457 2.760
48 H THR 7 H THR 7 3.832 -8.407 -2.498
49 HA THR 7 HA THR 7 2.039 -6.879 -4.188
50 HB THR 7 HB THR 7 3.102 -9.596 -4.379
51 HG1 THR 7 HG1 THR 7 4.662 -7.940 -4.487
52 1HG2 THR 7 1HG2 THR 7 2.432 -9.207 -6.826
53 2HG2 THR 7 2HG2 THR 7 1.061 -9.370 -5.708
54 3HG2 THR 7 3HG2 THR 7 1.562 -7.748 -6.250
55 H LEU 8 H LEU 8 1.761 -9.448 -1.827
56 HA LEU 8 HA LEU 8 -0.947 -10.225 -1.994
57 1HB LEU 8 1HB LEU 8 1.340 -10.617 -0.379
58 2HB LEU 8 2HB LEU 8 0.415 -9.703 0.665
59 HG LEU 8 HG LEU 8 -0.549 -12.331 -0.513
60 1HD1 LEU 8 1HD1 LEU 8 0.272 -11.518 2.322
61 2HD1 LEU 8 2HD1 LEU 8 -0.315 -13.117 1.829
62 3HD1 LEU 8 3HD1 LEU 8 1.234 -12.510 1.218
63 1HD2 LEU 8 1HD2 LEU 8 -1.895 -10.377 1.424
64 2HD2 LEU 8 2HD2 LEU 8 -2.485 -10.857 -0.175
65 3HD2 LEU 8 3HD2 LEU 8 -2.449 -12.039 1.142
66 H ALA 9 H ALA 9 0.797 -7.691 -0.449
67 HA ALA 9 HA ALA 9 -1.557 -6.660 1.033
68 1HB ALA 9 1HB ALA 9 0.432 -6.390 2.168
69 2HB ALA 9 2HB ALA 9 1.213 -5.582 0.782
70 3HB ALA 9 3HB ALA 9 -0.088 -4.760 1.647
71 H ARG 10 H ARG 10 0.289 -5.615 -1.695
72 HA ARG 10 HA ARG 10 -1.145 -3.505 -2.784
73 1HB ARG 10 1HB ARG 10 1.085 -4.188 -3.388
74 2HB ARG 10 2HB ARG 10 0.490 -5.814 -3.691
75 1HG ARG 10 1HG ARG 10 1.198 -4.593 -5.732
76 2HG ARG 10 2HG ARG 10 -0.434 -5.281 -5.762
77 1HD ARG 10 1HD ARG 10 -0.335 -3.018 -6.602
78 2HD ARG 10 2HD ARG 10 -1.418 -3.252 -5.191
79 HE ARG 10 HE ARG 10 -0.298 -1.746 -3.968
80 1HH1 ARG 10 1HH1 ARG 10 1.861 -2.565 -6.673
81 2HH1 ARG 10 2HH1 ARG 10 2.982 -1.273 -6.301
82 1HH2 ARG 10 1HH2 ARG 10 1.129 -0.076 -3.534
83 2HH2 ARG 10 2HH2 ARG 10 2.566 0.147 -4.506
84 H ASN 11 H ASN 11 -1.711 -6.966 -2.909
85 HA ASN 11 HA ASN 11 -3.932 -6.718 -4.831
86 1HB ASN 11 1HB ASN 11 -3.064 -9.072 -3.117
87 2HB ASN 11 2HB ASN 11 -4.448 -9.098 -4.212
88 1HD2 ASN 11 2HD2 ASN 11 -2.392 -10.927 -4.533
89 2HD2 ASN 11 1HD2 ASN 11 -1.537 -10.554 -6.019
90 H CYS 12 H CYS 12 -3.850 -7.374 -1.314
91 HA CYS 12 HA CYS 12 -6.442 -6.919 -0.535
92 1HB CYS 12 1HB CYS 12 -4.805 -7.774 0.980
93 2HB CYS 12 2HB CYS 12 -3.776 -6.364 0.776
94 H TYR 13 H TYR 13 -3.902 -4.564 -1.078
95 HA TYR 13 HA TYR 13 -5.427 -2.266 -0.339
96 1HB TYR 13 1HB TYR 13 -3.031 -2.203 -0.362
97 2HB TYR 13 2HB TYR 13 -2.972 -2.505 -2.092
98 HD1 TYR 13 HD1 TYR 13 -3.616 -0.729 -3.734
99 HD2 TYR 13 HD2 TYR 13 -3.436 0.048 0.506
100 HE1 TYR 13 HE1 TYR 13 -3.522 1.695 -4.189
101 HE2 TYR 13 HE2 TYR 13 -3.330 2.486 0.058
102 HH TYR 13 HH TYR 13 -3.194 4.135 -1.567
103 H ASN 14 H ASN 14 -4.826 -3.657 -3.549
104 HA ASN 14 HA ASN 14 -6.326 -1.758 -5.099
105 1HB ASN 14 1HB ASN 14 -5.569 -4.658 -5.659
106 2HB ASN 14 2HB ASN 14 -6.265 -3.554 -6.848
107 1HD2 ASN 14 2HD2 ASN 14 -3.659 -4.977 -6.934
108 2HD2 ASN 14 1HD2 ASN 14 -2.447 -3.731 -7.109
109 H ALA 15 H ALA 15 -7.017 -4.657 -3.342
110 HA ALA 15 HA ALA 15 -9.784 -4.941 -4.120
111 1HB ALA 15 1HB ALA 15 -8.268 -6.071 -1.726
112 2HB ALA 15 2HB ALA 15 -9.877 -6.561 -2.255
113 3HB ALA 15 3HB ALA 15 -8.466 -6.872 -3.305
114 H CYS 16 H CYS 16 -8.124 -3.349 -1.220
115 HA CYS 16 HA CYS 16 -10.699 -2.813 -0.023
116 1HB CYS 16 1HB CYS 16 -9.007 -2.893 1.514
117 2HB CYS 16 2HB CYS 16 -7.828 -2.097 0.479
118 H ARG 17 H ARG 17 -8.689 -1.377 -2.529
119 HA ARG 17 HA ARG 17 -10.007 1.206 -2.618
120 1HB ARG 17 1HB ARG 17 -8.003 -0.302 -4.346
121 2HB ARG 17 2HB ARG 17 -8.623 1.253 -4.800
122 1HG ARG 17 1HG ARG 17 -7.181 0.929 -2.170
123 2HG ARG 17 2HG ARG 17 -6.338 1.146 -3.697
124 1HD ARG 17 1HD ARG 17 -6.553 3.283 -2.610
125 2HD ARG 17 2HD ARG 17 -7.513 3.265 -4.103
126 HE ARG 17 HE ARG 17 -8.930 2.527 -1.642
127 1HH1 ARG 17 1HH1 ARG 17 -8.140 5.270 -3.775
128 2HH1 ARG 17 2HH1 ARG 17 -9.543 6.192 -3.286
129 1HH2 ARG 17 1HH2 ARG 17 -10.723 3.733 -1.035
130 2HH2 ARG 17 2HH2 ARG 17 -11.011 5.320 -1.716
131 H PHE 18 H PHE 18 -10.454 -2.037 -3.986
132 HA PHE 18 HA PHE 18 -12.607 -1.347 -5.772
133 1HB PHE 18 1HB PHE 18 -11.293 -3.631 -5.479
134 2HB PHE 18 2HB PHE 18 -12.441 -3.989 -4.249
135 HD1 PHE 18 HD1 PHE 18 -14.884 -4.203 -4.673
136 HD2 PHE 18 HD2 PHE 18 -12.012 -3.646 -7.865
137 HE1 PHE 18 HE1 PHE 18 -16.572 -4.967 -6.326
138 HE2 PHE 18 HE2 PHE 18 -13.707 -4.411 -9.515
139 HZ PHE 18 HZ PHE 18 -15.990 -5.064 -8.751
140 H THR 19 H THR 19 -12.494 -2.692 -2.403
141 HA THR 19 HA THR 19 -15.215 -2.358 -1.868
142 HB THR 19 HB THR 19 -14.733 -3.037 0.264
143 HG1 THR 19 HG1 THR 19 -12.772 -2.866 1.278
144 1HG2 THR 19 1HG2 THR 19 -13.925 -5.062 -0.162
145 2HG2 THR 19 2HG2 THR 19 -13.647 -4.511 -1.805
146 3HG2 THR 19 3HG2 THR 19 -12.343 -4.447 -0.597
147 H GLY 20 H GLY 20 -15.880 -1.227 0.304
148 1HA GLY 20 1HA GLY 20 -15.785 1.700 -0.112
149 2HA GLY 20 2HA GLY 20 -16.860 0.780 0.946
150 H GLY 21 H GLY 21 -13.434 0.163 0.792
151 1HA GLY 21 1HA GLY 21 -12.799 1.260 3.460
152 2HA GLY 21 2HA GLY 21 -11.921 -0.005 2.576
153 H SER 22 H SER 22 -11.996 3.271 3.186
154 HA SER 22 HA SER 22 -11.226 4.602 0.901
155 1HB SER 22 2HB SER 22 -10.702 5.169 3.740
156 2HB SER 22 1HB SER 22 -10.639 6.346 2.435
157 HG SER 22 HG SER 22 -12.623 6.432 3.557
158 H GLN 23 H GLN 23 -9.225 5.690 1.105
159 HA GLN 23 HA GLN 23 -7.150 3.849 0.239
160 1HB GLN 23 1HB GLN 23 -7.487 5.947 -0.956
161 2HB GLN 23 2HB GLN 23 -6.824 6.878 0.387
162 1HG GLN 23 1HG GLN 23 -4.670 5.728 0.198
163 2HG GLN 23 2HG GLN 23 -5.330 4.622 -1.011
164 1HE2 GLN 23 2HE2 GLN 23 -6.182 5.641 -3.092
165 2HE2 GLN 23 1HE2 GLN 23 -5.302 7.023 -3.711
166 HA PRO 24 HA PRO 24 -5.045 5.153 4.446
167 1HB PRO 24 1HB PRO 24 -7.776 5.726 5.777
168 2HB PRO 24 2HB PRO 24 -6.199 6.262 6.307
169 1HG PRO 24 1HG PRO 24 -7.810 7.947 4.919
170 2HG PRO 24 2HG PRO 24 -6.124 7.810 4.326
171 1HD PRO 24 1HD PRO 24 -8.552 6.210 3.440
172 2HD PRO 24 2HD PRO 24 -7.484 7.173 2.399
173 H THR 25 H THR 25 -8.307 3.962 4.665
174 HA THR 25 HA THR 25 -7.794 1.803 6.463
175 HB THR 25 HB THR 25 -9.805 2.167 4.369
176 HG1 THR 25 HG1 THR 25 -11.163 2.459 6.179
177 1HG2 THR 25 1HG2 THR 25 -11.039 0.169 5.462
178 2HG2 THR 25 2HG2 THR 25 -9.570 -0.296 4.600
179 3HG2 THR 25 3HG2 THR 25 -9.532 -0.130 6.360
180 H CYS 26 H CYS 26 -7.336 1.951 3.019
181 HA CYS 26 HA CYS 26 -6.611 -0.853 2.745
182 1HB CYS 26 1HB CYS 26 -5.781 1.386 0.846
183 2HB CYS 26 2HB CYS 26 -5.933 -0.336 0.518
184 H GLY 27 H GLY 27 -4.686 2.098 2.840
185 1HA GLY 27 1HA GLY 27 -2.199 0.782 3.117
186 2HA GLY 27 2HA GLY 27 -2.507 2.468 3.577
187 H ILE 28 H ILE 28 -4.695 1.245 5.502
188 HA ILE 28 HA ILE 28 -2.848 0.553 7.639
189 HB ILE 28 HB ILE 28 -5.864 0.827 7.547
190 1HG1 ILE 28 1HG1 ILE 28 -3.899 2.527 9.194
191 2HG1 ILE 28 2HG1 ILE 28 -4.151 2.916 7.498
192 1HG2 ILE 28 1HG2 ILE 28 -4.118 0.075 9.869
193 2HG2 ILE 28 2HG2 ILE 28 -5.778 0.717 10.058
194 3HG2 ILE 28 3HG2 ILE 28 -5.520 -0.798 9.204
195 1HD1 ILE 28 1HD1 ILE 28 -6.337 2.818 9.603
196 2HD1 ILE 28 2HD1 ILE 28 -5.633 4.270 8.846
197 3HD1 ILE 28 3HD1 ILE 28 -6.583 3.131 7.873
198 H LEU 29 H LEU 29 -5.622 -0.987 6.148
199 HA LEU 29 HA LEU 29 -5.474 -3.214 7.960
200 1HB LEU 29 1HB LEU 29 -6.965 -3.027 5.306
201 2HB LEU 29 2HB LEU 29 -7.118 -4.385 6.427
202 HG LEU 29 HG LEU 29 -7.788 -1.525 7.052
203 1HD1 LEU 29 1HD1 LEU 29 -9.348 -2.571 5.392
204 2HD1 LEU 29 2HD1 LEU 29 -9.591 -3.946 6.482
205 3HD1 LEU 29 3HD1 LEU 29 -10.187 -2.341 6.938
206 1HD2 LEU 29 1HD2 LEU 29 -8.227 -4.061 8.695
207 2HD2 LEU 29 2HD2 LEU 29 -7.237 -2.654 9.150
208 3HD2 LEU 29 3HD2 LEU 29 -8.991 -2.500 9.060
209 H CYS 30 H CYS 30 -4.597 -2.526 4.720
210 HA CYS 30 HA CYS 30 -3.190 -5.087 4.226
211 1HB CYS 30 1HB CYS 30 -3.150 -2.648 2.423
212 2HB CYS 30 2HB CYS 30 -2.800 -4.306 2.046
213 H ASP 31 H ASP 31 -2.359 -2.216 5.904
214 HA ASP 31 HA ASP 31 -0.400 -1.279 6.518
215 1HB ASP 31 1HB ASP 31 0.768 -4.015 5.938
216 2HB ASP 31 2HB ASP 31 1.482 -2.767 6.955
217 HD2 ASP 31 HD2 ASP 31 -0.722 -3.298 9.655
218 H CYS 32 H CYS 32 -1.077 -0.535 4.061
219 HA CYS 32 HA CYS 32 1.553 -0.301 2.551
220 1HB CYS 32 1HB CYS 32 -1.119 0.564 1.420
221 2HB CYS 32 2HB CYS 32 0.419 0.496 0.640
222 H ILE 33 H ILE 33 2.034 2.049 1.702
223 HA ILE 33 HA ILE 33 1.443 3.980 3.915
224 HB ILE 33 HB ILE 33 3.902 4.503 3.848
225 1HG1 ILE 33 1HG1 ILE 33 4.224 1.854 2.394
226 2HG1 ILE 33 2HG1 ILE 33 4.226 3.397 1.531
227 1HG2 ILE 33 1HG2 ILE 33 3.216 1.678 4.699
228 2HG2 ILE 33 2HG2 ILE 33 4.574 2.664 5.282
229 3HG2 ILE 33 3HG2 ILE 33 2.913 3.152 5.625
230 1HD1 ILE 33 1HD1 ILE 33 6.192 2.612 3.725
231 2HD1 ILE 33 2HD1 ILE 33 6.494 2.626 1.984
232 3HD1 ILE 33 3HD1 ILE 33 6.161 4.150 2.841
233 H HIS 34 H HIS 34 3.004 6.010 3.057
234 HA HIS 34 HA HIS 34 2.588 6.405 0.219
235 1HB HIS 34 1HB HIS 34 0.642 7.569 1.321
236 2HB HIS 34 2HB HIS 34 1.781 8.519 2.278
237 HD1 HIS 34 HD1 HIS 34 3.597 9.953 0.619
238 HD2 HIS 34 HD2 HIS 34 -0.120 8.735 -0.974
239 HE1 HIS 34 HE1 HIS 34 3.155 11.380 -1.456
240 HE2 HIS 34 HE2 HIS 34 0.895 10.660 -2.427
241 H VAL 35 H VAL 35 4.443 6.733 -0.626
242 HA VAL 35 HA VAL 35 6.612 7.906 1.038
243 HB VAL 35 HB VAL 35 8.154 7.131 -0.476
244 1HG1 VAL 35 1HG1 VAL 35 6.701 4.768 0.521
245 2HG1 VAL 35 2HG1 VAL 35 8.434 4.972 0.174
246 3HG1 VAL 35 3HG1 VAL 35 7.721 5.896 1.502
247 1HG2 VAL 35 1HG2 VAL 35 7.111 6.738 -2.590
248 2HG2 VAL 35 2HG2 VAL 35 7.879 5.257 -2.007
249 3HG2 VAL 35 3HG2 VAL 35 6.123 5.419 -1.860
250 H THR 36 H THR 36 7.661 9.525 0.391
251 HA THR 36 HA THR 36 7.425 10.568 -2.356
252 HB THR 36 HB THR 36 8.114 12.797 -1.613
253 HG1 THR 36 HG1 THR 36 7.668 11.816 1.013
254 1HG2 THR 36 1HG2 THR 36 5.931 13.493 -0.722
255 2HG2 THR 36 2HG2 THR 36 5.699 12.203 -1.918
256 3HG2 THR 36 3HG2 THR 36 5.578 11.845 -0.190
257 H THR 37 H THR 37 8.597 8.320 -1.749
258 HA THR 37 HA THR 37 11.342 8.553 -1.110
259 HB THR 37 HB THR 37 10.071 6.131 -1.890
260 HG1 THR 37 HG1 THR 37 10.298 5.795 0.440
261 1HG2 THR 37 1HG2 THR 37 12.820 6.687 -0.749
262 2HG2 THR 37 2HG2 THR 37 12.027 5.115 -0.589
263 3HG2 THR 37 3HG2 THR 37 12.411 5.709 -2.180
264 H THR 38 H THR 38 12.502 7.408 -2.804
265 HA THR 38 HA THR 38 12.515 8.514 -5.545
266 HB THR 38 HB THR 38 14.175 6.332 -4.496
267 HG1 THR 38 HG1 THR 38 14.709 9.103 -4.679
268 1HG2 THR 38 1HG2 THR 38 14.154 6.411 -6.979
269 2HG2 THR 38 2HG2 THR 38 14.545 8.140 -6.929
270 3HG2 THR 38 3HG2 THR 38 15.719 6.939 -6.361
271 H THR 39 H THR 39 11.815 5.313 -3.983
272 HA THR 39 HA THR 39 10.071 4.287 -6.012
273 HB THR 39 HB THR 39 12.346 2.730 -5.084
274 HG1 THR 39 HG1 THR 39 13.474 4.480 -5.932
275 1HG2 THR 39 1HG2 THR 39 12.192 1.703 -7.364
276 2HG2 THR 39 2HG2 THR 39 10.685 1.584 -6.451
277 3HG2 THR 39 3HG2 THR 39 10.850 2.828 -7.714
278 H CYS 40 H CYS 40 9.547 2.169 -5.144
279 HA CYS 40 HA CYS 40 8.397 2.116 -2.592
280 1HB CYS 40 1HB CYS 40 9.092 0.081 -4.734
281 2HB CYS 40 2HB CYS 40 8.717 -0.561 -3.148
282 HA PRO 41 HA PRO 41 12.308 1.631 -0.318
283 1HB PRO 41 1HB PRO 41 11.353 1.777 2.222
284 2HB PRO 41 2HB PRO 41 11.339 3.159 1.099
285 1HG PRO 41 1HG PRO 41 9.069 1.227 1.642
286 2HG PRO 41 2HG PRO 41 9.030 3.013 1.718
287 1HD PRO 41 1HD PRO 41 8.203 1.745 -0.515
288 2HD PRO 41 2HD PRO 41 9.212 3.205 -0.652
289 H SER 42 H SER 42 13.126 0.410 1.486
290 HA SER 42 HA SER 42 13.101 -2.433 1.199
291 1HB SER 42 1HB SER 42 13.943 -0.582 3.469
292 2HB SER 42 2HB SER 42 14.301 -2.322 3.393
293 HG SER 42 HG SER 42 16.034 -1.047 2.611
294 H SER 43 H SER 43 11.225 -0.085 3.206
295 HA SER 43 HA SER 43 10.337 -2.005 5.155
296 1HB SER 43 2HB SER 43 9.565 0.754 4.459
297 2HB SER 43 1HB SER 43 8.947 -0.108 5.855
298 HG SER 43 HG SER 43 10.731 1.232 6.382
299 H HIS 44 H HIS 44 9.358 -0.897 2.071
300 HA HIS 44 HA HIS 44 6.876 -2.572 2.079
301 1HB HIS 44 1HB HIS 44 6.915 0.387 1.488
302 2HB HIS 44 2HB HIS 44 5.633 -0.714 0.993
303 HD1 HIS 44 HD1 HIS 44 7.325 0.500 4.236
304 HD2 HIS 44 HD2 HIS 44 3.799 -1.342 2.865
305 HE1 HIS 44 HE1 HIS 44 5.784 0.229 6.254
306 HE2 HIS 44 HE2 HIS 44 3.629 -0.897 5.431
307 HA PRO 45 HA PRO 45 9.527 -2.861 -1.729
308 1HB PRO 45 1HB PRO 45 9.170 -5.539 -2.347
309 2HB PRO 45 2HB PRO 45 10.340 -4.899 -1.172
310 1HG PRO 45 1HG PRO 45 7.540 -5.928 -0.608
311 2HG PRO 45 2HG PRO 45 9.063 -6.408 0.197
312 1HD PRO 45 1HD PRO 45 7.527 -4.592 1.349
313 2HD PRO 45 2HD PRO 45 9.253 -4.251 1.264
314 H SER 46 H SER 46 5.974 -3.816 -1.648
315 HA SER 46 HA SER 46 6.031 -4.381 -4.514
316 1HB SER 46 1HB SER 46 4.746 -5.860 -3.240
317 2HB SER 46 2HB SER 46 3.972 -4.618 -2.302
318 HG SER 46 HG SER 46 3.723 -5.151 -5.098
319 HXT SER 46 HO OH 47 5.000 -1.313 -5.695
Start of MODEL 7
1 1H LYS 1 1H LYS 1 1.260 8.554 -4.212
2 2H LYS 1 2H LYS 1 2.579 9.251 -3.510
3 3H LYS 1 3H LYS 1 2.453 9.195 -5.158
4 HA LYS 1 HA LYS 1 2.558 6.871 -5.164
5 1HB LYS 1 1HB LYS 1 4.701 8.604 -4.809
6 2HB LYS 1 2HB LYS 1 4.999 7.411 -3.564
7 1HG LYS 1 1HG LYS 1 4.648 6.855 -6.526
8 2HG LYS 1 2HG LYS 1 6.159 6.890 -5.613
9 1HD LYS 1 1HD LYS 1 5.196 4.987 -4.166
10 2HD LYS 1 2HD LYS 1 3.889 4.875 -5.341
11 1HE LYS 1 1HE LYS 1 5.463 3.263 -6.066
12 2HE LYS 1 2HE LYS 1 5.688 4.620 -7.164
13 1HZ LYS 1 1HZ LYS 1 7.749 3.734 -6.376
14 2HZ LYS 1 2HZ LYS 1 7.575 5.286 -5.859
15 3HZ LYS 1 3HZ LYS 1 7.344 4.037 -4.810
16 H SER 2 H SER 2 2.209 4.966 -4.135
17 HA SER 2 HA SER 2 2.148 4.724 -1.165
18 1HB SER 2 1HB SER 2 -0.060 3.670 -1.284
19 2HB SER 2 2HB SER 2 -0.142 5.350 -1.832
20 HG SER 2 HG SER 2 -0.080 4.538 -3.978
21 H CYS 3 H CYS 3 3.055 2.917 -0.501
22 HA CYS 3 HA CYS 3 3.693 0.774 -2.469
23 1HB CYS 3 1HB CYS 3 5.430 2.176 -0.425
24 2HB CYS 3 2HB CYS 3 5.898 0.724 -1.316
25 H CYS 4 H CYS 4 3.573 -1.375 -1.669
26 HA CYS 4 HA CYS 4 2.398 -1.762 1.009
27 1HB CYS 4 1HB CYS 4 2.130 -3.108 -1.688
28 2HB CYS 4 2HB CYS 4 1.486 -3.773 -0.225
29 H ARG 5 H ARG 5 2.927 -3.492 2.238
30 HA ARG 5 HA ARG 5 5.650 -4.068 1.896
31 1HB ARG 5 1HB ARG 5 5.747 -5.073 3.997
32 2HB ARG 5 2HB ARG 5 4.956 -3.495 4.004
33 1HG ARG 5 1HG ARG 5 2.710 -4.692 4.094
34 2HG ARG 5 2HG ARG 5 3.616 -6.216 4.264
35 1HD ARG 5 1HD ARG 5 4.903 -5.127 6.173
36 2HD ARG 5 2HD ARG 5 3.835 -3.722 6.026
37 HE ARG 5 HE ARG 5 2.166 -5.968 6.293
38 1HH1 ARG 5 1HH1 ARG 5 4.575 -4.306 8.319
39 2HH1 ARG 5 2HH1 ARG 5 3.838 -4.827 9.819
40 1HH2 ARG 5 1HH2 ARG 5 1.231 -6.628 8.281
41 2HH2 ARG 5 2HH2 ARG 5 1.957 -6.143 9.799
42 H ASN 6 H ASN 6 3.165 -5.557 0.441
43 HA ASN 6 HA ASN 6 4.883 -6.954 -0.887
44 1HB ASN 6 1HB ASN 6 3.674 -9.395 -0.492
45 2HB ASN 6 2HB ASN 6 5.189 -8.919 0.258
46 1HD2 ASN 6 2HD2 ASN 6 1.828 -7.931 1.156
47 2HD2 ASN 6 1HD2 ASN 6 1.909 -8.592 2.774
48 H THR 7 H THR 7 3.926 -8.373 -2.457
49 HA THR 7 HA THR 7 2.098 -6.830 -4.090
50 HB THR 7 HB THR 7 3.235 -9.511 -4.375
51 HG1 THR 7 HG1 THR 7 3.884 -6.990 -5.484
52 1HG2 THR 7 1HG2 THR 7 1.182 -9.368 -5.671
53 2HG2 THR 7 2HG2 THR 7 1.578 -7.706 -6.177
54 3HG2 THR 7 3HG2 THR 7 2.522 -9.084 -6.808
55 H LEU 8 H LEU 8 1.871 -9.445 -1.790
56 HA LEU 8 HA LEU 8 -0.829 -10.277 -1.978
57 1HB LEU 8 1HB LEU 8 1.471 -10.679 -0.391
58 2HB LEU 8 2HB LEU 8 0.539 -9.804 0.688
59 HG LEU 8 HG LEU 8 -0.391 -12.425 -0.540
60 1HD1 LEU 8 1HD1 LEU 8 1.397 -12.619 1.173
61 2HD1 LEU 8 2HD1 LEU 8 0.432 -11.645 2.304
62 3HD1 LEU 8 3HD1 LEU 8 -0.148 -13.244 1.788
63 1HD2 LEU 8 1HD2 LEU 8 -2.285 -12.195 1.119
64 2HD2 LEU 8 2HD2 LEU 8 -1.756 -10.536 1.452
65 3HD2 LEU 8 3HD2 LEU 8 -2.345 -10.979 -0.165
66 H ALA 9 H ALA 9 0.881 -7.762 -0.372
67 HA ALA 9 HA ALA 9 -1.483 -6.811 1.150
68 1HB ALA 9 1HB ALA 9 -0.049 -4.898 1.809
69 2HB ALA 9 2HB ALA 9 0.516 -6.532 2.262
70 3HB ALA 9 3HB ALA 9 1.261 -5.662 0.892
71 H ARG 10 H ARG 10 0.343 -5.680 -1.552
72 HA ARG 10 HA ARG 10 -1.085 -3.550 -2.596
73 1HB ARG 10 1HB ARG 10 1.148 -4.292 -3.200
74 2HB ARG 10 2HB ARG 10 0.479 -5.860 -3.611
75 1HG ARG 10 1HG ARG 10 1.200 -4.516 -5.581
76 2HG ARG 10 2HG ARG 10 -0.454 -5.146 -5.620
77 1HD ARG 10 1HD ARG 10 -0.295 -2.857 -6.308
78 2HD ARG 10 2HD ARG 10 -1.345 -3.108 -4.868
79 HE ARG 10 HE ARG 10 1.140 -2.339 -3.873
80 1HH1 ARG 10 1HH1 ARG 10 -1.525 -0.835 -5.683
81 2HH1 ARG 10 2HH1 ARG 10 -1.209 0.749 -5.018
82 1HH2 ARG 10 1HH2 ARG 10 1.554 -0.289 -3.070
83 2HH2 ARG 10 2HH2 ARG 10 0.557 1.064 -3.547
84 H ASN 11 H ASN 11 -1.623 -7.003 -2.821
85 HA ASN 11 HA ASN 11 -3.850 -6.752 -4.728
86 1HB ASN 11 1HB ASN 11 -2.970 -9.128 -3.057
87 2HB ASN 11 2HB ASN 11 -4.356 -9.142 -4.149
88 1HD2 ASN 11 2HD2 ASN 11 -2.301 -10.962 -4.504
89 2HD2 ASN 11 1HD2 ASN 11 -1.448 -10.569 -5.983
90 H CYS 12 H CYS 12 -3.749 -7.407 -1.206
91 HA CYS 12 HA CYS 12 -6.371 -6.989 -0.466
92 1HB CYS 12 1HB CYS 12 -4.774 -7.869 1.075
93 2HB CYS 12 2HB CYS 12 -3.735 -6.464 0.923
94 H TYR 13 H TYR 13 -3.858 -4.607 -0.930
95 HA TYR 13 HA TYR 13 -5.447 -2.316 -0.223
96 1HB TYR 13 1HB TYR 13 -3.035 -2.258 -0.130
97 2HB TYR 13 2HB TYR 13 -2.901 -2.589 -1.852
98 HD1 TYR 13 HD1 TYR 13 -3.346 0.019 0.653
99 HD2 TYR 13 HD2 TYR 13 -3.506 -0.854 -3.569
100 HE1 TYR 13 HE1 TYR 13 -3.315 2.447 0.152
101 HE2 TYR 13 HE2 TYR 13 -3.485 1.564 -4.076
102 HH TYR 13 HH TYR 13 -3.389 3.718 -3.206
103 H ASN 14 H ASN 14 -4.743 -3.715 -3.380
104 HA ASN 14 HA ASN 14 -6.216 -1.806 -4.970
105 1HB ASN 14 1HB ASN 14 -5.338 -4.674 -5.542
106 2HB ASN 14 2HB ASN 14 -6.069 -3.592 -6.727
107 1HD2 ASN 14 2HD2 ASN 14 -3.457 -4.877 -6.919
108 2HD2 ASN 14 1HD2 ASN 14 -2.284 -3.586 -7.049
109 H ALA 15 H ALA 15 -6.876 -4.692 -3.175
110 HA ALA 15 HA ALA 15 -9.608 -5.059 -4.003
111 1HB ALA 15 1HB ALA 15 -8.202 -6.098 -1.524
112 2HB ALA 15 2HB ALA 15 -9.793 -6.573 -2.110
113 3HB ALA 15 3HB ALA 15 -8.350 -6.938 -3.083
114 H CYS 16 H CYS 16 -8.042 -3.396 -1.042
115 HA CYS 16 HA CYS 16 -10.657 -2.775 0.003
116 1HB CYS 16 1HB CYS 16 -9.054 -2.911 1.626
117 2HB CYS 16 2HB CYS 16 -7.798 -2.150 0.669
118 H ARG 17 H ARG 17 -8.661 -1.428 -2.521
119 HA ARG 17 HA ARG 17 -10.114 1.111 -2.671
120 1HB ARG 17 1HB ARG 17 -7.895 -0.229 -4.249
121 2HB ARG 17 2HB ARG 17 -8.565 1.320 -4.667
122 1HG ARG 17 1HG ARG 17 -7.271 0.914 -1.982
123 2HG ARG 17 2HG ARG 17 -6.371 1.301 -3.439
124 1HD ARG 17 1HD ARG 17 -6.788 3.332 -2.245
125 2HD ARG 17 2HD ARG 17 -7.652 3.349 -3.786
126 HE ARG 17 HE ARG 17 -9.172 2.405 -1.453
127 1HH1 ARG 17 1HH1 ARG 17 -8.532 5.227 -3.548
128 2HH1 ARG 17 2HH1 ARG 17 -10.007 6.028 -3.066
129 1HH2 ARG 17 1HH2 ARG 17 -11.015 3.521 -0.807
130 2HH2 ARG 17 2HH2 ARG 17 -11.405 5.075 -1.511
131 H PHE 18 H PHE 18 -10.316 -2.188 -3.944
132 HA PHE 18 HA PHE 18 -12.298 -1.674 -5.977
133 1HB PHE 18 1HB PHE 18 -11.020 -3.933 -5.399
134 2HB PHE 18 2HB PHE 18 -12.265 -4.175 -4.237
135 HD1 PHE 18 HD1 PHE 18 -14.632 -4.466 -4.785
136 HD2 PHE 18 HD2 PHE 18 -11.593 -4.117 -7.839
137 HE1 PHE 18 HE1 PHE 18 -16.209 -5.396 -6.458
138 HE2 PHE 18 HE2 PHE 18 -13.169 -5.058 -9.516
139 HZ PHE 18 HZ PHE 18 -15.486 -5.694 -8.830
140 H THR 19 H THR 19 -12.457 -2.801 -2.521
141 HA THR 19 HA THR 19 -15.173 -2.254 -2.054
142 HB THR 19 HB THR 19 -14.720 -2.679 0.128
143 HG1 THR 19 HG1 THR 19 -12.729 -2.521 1.103
144 1HG2 THR 19 1HG2 THR 19 -13.709 -4.762 0.108
145 2HG2 THR 19 2HG2 THR 19 -14.059 -4.524 -1.617
146 3HG2 THR 19 3HG2 THR 19 -12.437 -4.272 -0.979
147 H GLY 20 H GLY 20 -12.527 -0.031 -2.294
148 1HA GLY 20 1HA GLY 20 -12.511 2.214 -2.397
149 2HA GLY 20 2HA GLY 20 -14.280 2.219 -2.453
150 H GLY 21 H GLY 21 -13.089 0.467 0.258
151 1HA GLY 21 1HA GLY 21 -14.034 1.600 2.403
152 2HA GLY 21 2HA GLY 21 -12.360 1.020 2.392
153 H SER 22 H SER 22 -10.560 2.675 2.458
154 HA SER 22 HA SER 22 -10.866 5.050 1.134
155 1HB SER 22 2HB SER 22 -10.313 4.979 4.046
156 2HB SER 22 1HB SER 22 -9.947 6.257 2.941
157 HG SER 22 HG SER 22 -12.554 5.392 3.519
158 H GLN 23 H GLN 23 -8.632 6.049 1.284
159 HA GLN 23 HA GLN 23 -6.723 4.110 0.331
160 1HB GLN 23 1HB GLN 23 -6.239 7.077 0.811
161 2HB GLN 23 2HB GLN 23 -5.195 5.945 -0.038
162 1HG GLN 23 1HG GLN 23 -6.978 5.540 -1.706
163 2HG GLN 23 2HG GLN 23 -8.036 6.691 -0.882
164 1HE2 GLN 23 2HE2 GLN 23 -7.049 8.973 -0.586
165 2HE2 GLN 23 1HE2 GLN 23 -6.130 9.607 -1.938
166 HA PRO 24 HA PRO 24 -4.585 5.066 4.624
167 1HB PRO 24 1HB PRO 24 -7.213 5.767 6.071
168 2HB PRO 24 2HB PRO 24 -5.596 6.240 6.494
169 1HG PRO 24 1HG PRO 24 -7.231 7.990 5.219
170 2HG PRO 24 2HG PRO 24 -5.598 7.802 4.507
171 1HD PRO 24 1HD PRO 24 -8.079 6.177 3.862
172 2HD PRO 24 2HD PRO 24 -7.216 7.198 2.709
173 H THR 25 H THR 25 -7.910 4.133 4.812
174 HA THR 25 HA THR 25 -7.651 1.908 6.573
175 HB THR 25 HB THR 25 -9.559 2.503 4.437
176 HG1 THR 25 HG1 THR 25 -9.832 2.274 7.228
177 1HG2 THR 25 1HG2 THR 25 -10.945 0.487 5.255
178 2HG2 THR 25 2HG2 THR 25 -9.463 0.007 4.452
179 3HG2 THR 25 3HG2 THR 25 -9.517 0.013 6.210
180 H CYS 26 H CYS 26 -7.128 2.030 3.127
181 HA CYS 26 HA CYS 26 -6.572 -0.835 2.892
182 1HB CYS 26 1HB CYS 26 -5.725 1.357 0.950
183 2HB CYS 26 2HB CYS 26 -5.879 -0.372 0.642
184 H GLY 27 H GLY 27 -4.540 2.036 2.966
185 1HA GLY 27 1HA GLY 27 -2.108 0.623 3.258
186 2HA GLY 27 2HA GLY 27 -2.342 2.323 3.693
187 H ILE 28 H ILE 28 -4.592 1.106 5.618
188 HA ILE 28 HA ILE 28 -2.762 0.403 7.787
189 HB ILE 28 HB ILE 28 -5.766 0.820 7.665
190 1HG1 ILE 28 1HG1 ILE 28 -3.741 2.399 9.354
191 2HG1 ILE 28 2HG1 ILE 28 -3.921 2.815 7.655
192 1HG2 ILE 28 1HG2 ILE 28 -5.526 -0.811 9.331
193 2HG2 ILE 28 2HG2 ILE 28 -4.097 -0.010 10.016
194 3HG2 ILE 28 3HG2 ILE 28 -5.722 0.713 10.171
195 1HD1 ILE 28 1HD1 ILE 28 -6.160 2.855 9.710
196 2HD1 ILE 28 2HD1 ILE 28 -5.342 4.253 8.974
197 3HD1 ILE 28 3HD1 ILE 28 -6.349 3.185 7.977
198 H LEU 29 H LEU 29 -5.601 -0.989 6.287
199 HA LEU 29 HA LEU 29 -5.588 -3.253 8.038
200 1HB LEU 29 1HB LEU 29 -6.985 -2.951 5.341
201 2HB LEU 29 2HB LEU 29 -7.219 -4.323 6.422
202 HG LEU 29 HG LEU 29 -7.807 -1.452 7.102
203 1HD1 LEU 29 1HD1 LEU 29 -9.335 -2.377 5.351
204 2HD1 LEU 29 2HD1 LEU 29 -9.696 -3.763 6.395
205 3HD1 LEU 29 3HD1 LEU 29 -10.213 -2.137 6.875
206 1HD2 LEU 29 1HD2 LEU 29 -7.365 -2.671 9.175
207 2HD2 LEU 29 2HD2 LEU 29 -9.100 -2.418 9.040
208 3HD2 LEU 29 3HD2 LEU 29 -8.412 -4.008 8.648
209 H CYS 30 H CYS 30 -4.600 -2.551 4.830
210 HA CYS 30 HA CYS 30 -3.211 -5.149 4.394
211 1HB CYS 30 1HB CYS 30 -3.162 -2.767 2.528
212 2HB CYS 30 2HB CYS 30 -2.830 -4.440 2.189
213 H ASP 31 H ASP 31 -2.360 -2.277 6.040
214 HA ASP 31 HA ASP 31 -0.390 -1.397 6.692
215 1HB ASP 31 1HB ASP 31 0.750 -4.131 6.045
216 2HB ASP 31 2HB ASP 31 1.456 -2.920 7.110
217 HD2 ASP 31 HD2 ASP 31 0.119 -2.255 8.926
218 H CYS 32 H CYS 32 -1.034 -0.633 4.195
219 HA CYS 32 HA CYS 32 1.634 -0.398 2.740
220 1HB CYS 32 1HB CYS 32 -0.979 0.566 1.567
221 2HB CYS 32 2HB CYS 32 0.567 0.399 0.824
222 H ILE 33 H ILE 33 2.051 1.973 1.835
223 HA ILE 33 HA ILE 33 1.472 3.930 4.025
224 HB ILE 33 HB ILE 33 3.921 4.518 3.896
225 1HG1 ILE 33 1HG1 ILE 33 4.257 1.831 2.512
226 2HG1 ILE 33 2HG1 ILE 33 4.250 3.358 1.618
227 1HG2 ILE 33 1HG2 ILE 33 4.655 2.751 5.380
228 2HG2 ILE 33 2HG2 ILE 33 2.977 3.176 5.725
229 3HG2 ILE 33 3HG2 ILE 33 3.341 1.693 4.833
230 1HD1 ILE 33 1HD1 ILE 33 6.195 4.125 2.940
231 2HD1 ILE 33 2HD1 ILE 33 6.226 2.575 3.792
232 3HD1 ILE 33 3HD1 ILE 33 6.515 2.626 2.046
233 H HIS 34 H HIS 34 2.955 5.983 3.086
234 HA HIS 34 HA HIS 34 2.425 6.321 0.260
235 1HB HIS 34 1HB HIS 34 0.505 7.457 1.401
236 2HB HIS 34 2HB HIS 34 1.640 8.432 2.338
237 HD1 HIS 34 HD1 HIS 34 3.389 9.918 0.688
238 HD2 HIS 34 HD2 HIS 34 -0.304 8.620 -0.894
239 HE1 HIS 34 HE1 HIS 34 2.915 11.328 -1.393
240 HE2 HIS 34 HE2 HIS 34 0.659 10.568 -2.344
241 H VAL 35 H VAL 35 4.288 6.721 -0.640
242 HA VAL 35 HA VAL 35 6.468 7.943 0.994
243 HB VAL 35 HB VAL 35 8.007 7.141 -0.507
244 1HG1 VAL 35 1HG1 VAL 35 7.648 5.971 1.482
245 2HG1 VAL 35 2HG1 VAL 35 6.501 4.877 0.616
246 3HG1 VAL 35 3HG1 VAL 35 8.225 4.941 0.168
247 1HG2 VAL 35 1HG2 VAL 35 7.683 5.230 -2.016
248 2HG2 VAL 35 2HG2 VAL 35 5.927 5.460 -1.874
249 3HG2 VAL 35 3HG2 VAL 35 6.971 6.723 -2.623
250 H THR 36 H THR 36 7.543 9.548 0.293
251 HA THR 36 HA THR 36 7.255 10.483 -2.493
252 HB THR 36 HB THR 36 7.951 12.735 -1.865
253 HG1 THR 36 HG1 THR 36 7.590 11.862 0.813
254 1HG2 THR 36 1HG2 THR 36 5.523 12.124 -2.064
255 2HG2 THR 36 2HG2 THR 36 5.459 11.851 -0.318
256 3HG2 THR 36 3HG2 THR 36 5.798 13.475 -0.939
257 H THR 37 H THR 37 8.434 8.261 -1.832
258 HA THR 37 HA THR 37 11.195 8.482 -1.278
259 HB THR 37 HB THR 37 9.883 6.066 -2.032
260 HG1 THR 37 HG1 THR 37 10.129 5.729 0.289
261 1HG2 THR 37 1HG2 THR 37 11.841 5.044 -0.746
262 2HG2 THR 37 2HG2 THR 37 12.205 5.608 -2.351
263 3HG2 THR 37 3HG2 THR 37 12.653 6.605 -0.946
264 H THR 38 H THR 38 12.302 7.312 -2.992
265 HA THR 38 HA THR 38 12.262 8.388 -5.739
266 HB THR 38 HB THR 38 13.936 6.219 -4.678
267 HG1 THR 38 HG1 THR 38 15.501 7.881 -4.486
268 1HG2 THR 38 1HG2 THR 38 14.293 7.980 -7.148
269 2HG2 THR 38 2HG2 THR 38 15.468 6.787 -6.568
270 3HG2 THR 38 3HG2 THR 38 13.888 6.258 -7.167
271 H THR 39 H THR 39 11.574 5.192 -4.140
272 HA THR 39 HA THR 39 9.859 4.118 -6.172
273 HB THR 39 HB THR 39 12.118 2.588 -5.198
274 HG1 THR 39 HG1 THR 39 13.262 4.349 -6.027
275 1HG2 THR 39 1HG2 THR 39 11.997 1.534 -7.470
276 2HG2 THR 39 2HG2 THR 39 10.463 1.458 -6.588
277 3HG2 THR 39 3HG2 THR 39 10.689 2.680 -7.866
278 H CYS 40 H CYS 40 9.313 2.011 -5.248
279 HA CYS 40 HA CYS 40 8.343 2.325 -2.608
280 1HB CYS 40 1HB CYS 40 8.217 -0.039 -4.500
281 2HB CYS 40 2HB CYS 40 7.570 -0.124 -2.871
282 HA PRO 41 HA PRO 41 12.157 1.418 -0.657
283 1HB PRO 41 1HB PRO 41 11.431 1.717 1.951
284 2HB PRO 41 2HB PRO 41 11.378 3.058 0.788
285 1HG PRO 41 1HG PRO 41 9.077 1.244 1.580
286 2HG PRO 41 2HG PRO 41 9.113 3.036 1.591
287 1HD PRO 41 1HD PRO 41 8.080 1.780 -0.550
288 2HD PRO 41 2HD PRO 41 9.167 3.178 -0.747
289 H SER 42 H SER 42 13.120 0.184 1.043
290 HA SER 42 HA SER 42 12.853 -2.646 0.934
291 1HB SER 42 1HB SER 42 14.059 -0.774 3.008
292 2HB SER 42 2HB SER 42 14.295 -2.538 2.966
293 HG SER 42 HG SER 42 15.235 -2.262 0.881
294 H SER 43 H SER 43 11.305 -0.105 2.989
295 HA SER 43 HA SER 43 10.444 -1.840 5.088
296 1HB SER 43 2HB SER 43 9.671 0.859 4.201
297 2HB SER 43 1HB SER 43 9.114 0.122 5.690
298 HG SER 43 HG SER 43 11.315 -0.022 6.329
299 H HIS 44 H HIS 44 9.345 -0.924 1.969
300 HA HIS 44 HA HIS 44 6.841 -2.542 2.187
301 1HB HIS 44 1HB HIS 44 6.881 0.430 1.637
302 2HB HIS 44 2HB HIS 44 5.555 -0.633 1.183
303 HD1 HIS 44 HD1 HIS 44 7.349 0.551 4.352
304 HD2 HIS 44 HD2 HIS 44 3.838 -1.386 3.092
305 HE1 HIS 44 HE1 HIS 44 5.871 0.283 6.413
306 HE2 HIS 44 HE2 HIS 44 3.718 -0.910 5.668
307 HA PRO 45 HA PRO 45 9.491 -2.712 -1.671
308 1HB PRO 45 1HB PRO 45 9.243 -5.401 -2.314
309 2HB PRO 45 2HB PRO 45 10.397 -4.715 -1.146
310 1HG PRO 45 1HG PRO 45 7.653 -5.875 -0.557
311 2HG PRO 45 2HG PRO 45 9.208 -6.278 0.229
312 1HD PRO 45 1HD PRO 45 7.574 -4.546 1.388
313 2HD PRO 45 2HD PRO 45 9.290 -4.123 1.305
314 H SER 46 H SER 46 6.018 -3.792 -1.557
315 HA SER 46 HA SER 46 5.980 -4.156 -4.462
316 1HB SER 46 1HB SER 46 4.780 -5.761 -3.220
317 2HB SER 46 2HB SER 46 3.962 -4.593 -2.230
318 HG SER 46 HG SER 46 2.972 -3.871 -4.229
319 HXT SER 46 HO OH 47 6.492 -2.087 -5.086
Start of MODEL 8
1 1H LYS 1 1H LYS 1 2.299 8.982 -3.753
2 2H LYS 1 2H LYS 1 1.848 8.826 -5.334
3 3H LYS 1 3H LYS 1 0.912 8.179 -4.144
4 HA LYS 1 HA LYS 1 2.097 6.491 -5.230
5 1HB LYS 1 1HB LYS 1 3.944 8.136 -5.858
6 2HB LYS 1 2HB LYS 1 4.708 7.729 -4.326
7 1HG LYS 1 1HG LYS 1 3.912 5.682 -6.463
8 2HG LYS 1 2HG LYS 1 5.458 6.516 -6.435
9 1HD LYS 1 1HD LYS 1 5.096 5.453 -3.810
10 2HD LYS 1 2HD LYS 1 4.648 4.163 -4.917
11 1HE LYS 1 1HE LYS 1 7.261 5.766 -5.129
12 2HE LYS 1 2HE LYS 1 7.105 4.260 -4.235
13 1HZ LYS 1 1HZ LYS 1 6.410 3.193 -6.264
14 2HZ LYS 1 2HZ LYS 1 6.654 4.590 -7.111
15 3HZ LYS 1 3HZ LYS 1 7.921 3.822 -6.384
16 H SER 2 H SER 2 2.265 4.617 -4.152
17 HA SER 2 HA SER 2 2.249 4.530 -1.182
18 1HB SER 2 1HB SER 2 -0.023 3.518 -1.257
19 2HB SER 2 2HB SER 2 -0.049 5.194 -1.833
20 HG SER 2 HG SER 2 -1.229 3.773 -3.171
21 H CYS 3 H CYS 3 2.931 2.700 -0.378
22 HA CYS 3 HA CYS 3 3.693 0.533 -2.278
23 1HB CYS 3 1HB CYS 3 5.352 1.987 -0.218
24 2HB CYS 3 2HB CYS 3 5.873 0.611 -1.201
25 H CYS 4 H CYS 4 3.557 -1.585 -1.455
26 HA CYS 4 HA CYS 4 2.486 -2.003 1.264
27 1HB CYS 4 1HB CYS 4 2.205 -3.390 -1.410
28 2HB CYS 4 2HB CYS 4 1.536 -3.989 0.066
29 H ARG 5 H ARG 5 3.019 -3.726 2.510
30 HA ARG 5 HA ARG 5 5.679 -4.263 2.497
31 1HB ARG 5 1HB ARG 5 4.627 -6.692 3.638
32 2HB ARG 5 2HB ARG 5 5.471 -5.380 4.389
33 1HG ARG 5 1HG ARG 5 2.494 -5.214 3.810
34 2HG ARG 5 2HG ARG 5 3.090 -6.166 5.171
35 1HD ARG 5 1HD ARG 5 3.883 -3.257 4.748
36 2HD ARG 5 2HD ARG 5 2.555 -3.795 5.774
37 HE ARG 5 HE ARG 5 5.008 -5.119 6.453
38 1HH1 ARG 5 1HH1 ARG 5 3.191 -2.089 7.005
39 2HH1 ARG 5 2HH1 ARG 5 4.011 -1.767 8.516
40 1HH2 ARG 5 1HH2 ARG 5 6.048 -4.634 8.409
41 2HH2 ARG 5 2HH2 ARG 5 5.630 -3.193 9.301
42 H ASN 6 H ASN 6 3.167 -5.813 0.522
43 HA ASN 6 HA ASN 6 4.885 -7.188 -0.942
44 1HB ASN 6 1HB ASN 6 4.175 -9.562 -0.471
45 2HB ASN 6 2HB ASN 6 5.084 -8.855 0.863
46 1HD2 ASN 6 2HD2 ASN 6 3.685 -11.077 1.389
47 2HD2 ASN 6 1HD2 ASN 6 2.293 -10.695 2.388
48 H THR 7 H THR 7 3.880 -8.624 -2.397
49 HA THR 7 HA THR 7 2.097 -7.058 -4.033
50 HB THR 7 HB THR 7 3.126 -9.791 -4.268
51 HG1 THR 7 HG1 THR 7 4.513 -8.742 -5.775
52 1HG2 THR 7 1HG2 THR 7 2.470 -9.361 -6.696
53 2HG2 THR 7 2HG2 THR 7 1.109 -9.569 -5.564
54 3HG2 THR 7 3HG2 THR 7 1.574 -7.930 -6.088
55 H LEU 8 H LEU 8 1.679 -9.525 -1.606
56 HA LEU 8 HA LEU 8 -1.004 -10.362 -1.919
57 1HB LEU 8 2HB LEU 8 1.267 -10.968 -0.488
58 2HB LEU 8 1HB LEU 8 0.535 -9.953 0.543
59 HG LEU 8 HG LEU 8 -0.752 -12.523 -0.460
60 1HD1 LEU 8 1HD2 LEU 8 -0.423 -13.336 1.846
61 2HD1 LEU 8 2HD2 LEU 8 1.121 -12.853 1.126
62 3HD1 LEU 8 3HD2 LEU 8 0.322 -11.793 2.302
63 1HD2 LEU 8 1HD1 LEU 8 -2.548 -10.930 -0.013
64 2HD2 LEU 8 2HD1 LEU 8 -2.506 -12.116 1.292
65 3HD2 LEU 8 3HD1 LEU 8 -1.825 -10.492 1.552
66 H ALA 9 H ALA 9 0.842 -7.959 -0.295
67 HA ALA 9 HA ALA 9 -1.492 -6.873 1.218
68 1HB ALA 9 1HB ALA 9 0.068 -4.969 1.826
69 2HB ALA 9 2HB ALA 9 0.491 -6.608 2.384
70 3HB ALA 9 3HB ALA 9 1.326 -5.893 0.990
71 H ARG 10 H ARG 10 0.366 -5.830 -1.496
72 HA ARG 10 HA ARG 10 -0.986 -3.637 -2.526
73 1HB ARG 10 1HB ARG 10 1.212 -4.349 -3.112
74 2HB ARG 10 2HB ARG 10 0.596 -5.949 -3.480
75 1HG ARG 10 1HG ARG 10 1.276 -4.728 -5.517
76 2HG ARG 10 2HG ARG 10 -0.393 -5.305 -5.519
77 1HD ARG 10 1HD ARG 10 -0.141 -3.034 -6.287
78 2HD ARG 10 2HD ARG 10 -1.212 -3.220 -4.850
79 HE ARG 10 HE ARG 10 1.327 -2.511 -3.894
80 1HH1 ARG 10 1HH1 ARG 10 -1.328 -0.959 -5.692
81 2HH1 ARG 10 2HH1 ARG 10 -1.040 0.598 -4.939
82 1HH2 ARG 10 1HH2 ARG 10 1.641 -0.522 -2.932
83 2HH2 ARG 10 2HH2 ARG 10 0.660 0.851 -3.387
84 H ASN 11 H ASN 11 -1.630 -7.072 -2.753
85 HA ASN 11 HA ASN 11 -3.822 -6.770 -4.708
86 1HB ASN 11 1HB ASN 11 -3.025 -9.146 -2.991
87 2HB ASN 11 2HB ASN 11 -4.418 -9.146 -4.068
88 1HD2 ASN 11 2HD2 ASN 11 -2.413 -11.026 -4.401
89 2HD2 ASN 11 1HD2 ASN 11 -1.579 -10.692 -5.904
90 H CYS 12 H CYS 12 -3.829 -7.450 -1.196
91 HA CYS 12 HA CYS 12 -6.422 -6.914 -0.466
92 1HB CYS 12 1HB CYS 12 -4.829 -7.835 1.065
93 2HB CYS 12 2HB CYS 12 -3.780 -6.436 0.925
94 H TYR 13 H TYR 13 -3.782 -4.639 -0.854
95 HA TYR 13 HA TYR 13 -5.274 -2.297 -0.216
96 1HB TYR 13 1HB TYR 13 -2.874 -2.288 -0.171
97 2HB TYR 13 2HB TYR 13 -2.771 -2.653 -1.885
98 HD1 TYR 13 HD1 TYR 13 -3.175 0.019 0.591
99 HD2 TYR 13 HD2 TYR 13 -3.277 -0.948 -3.612
100 HE1 TYR 13 HE1 TYR 13 -3.057 2.439 0.030
101 HE2 TYR 13 HE2 TYR 13 -3.140 1.461 -4.181
102 HH TYR 13 HH TYR 13 -3.050 3.623 -3.361
103 H ASN 14 H ASN 14 -4.622 -3.705 -3.410
104 HA ASN 14 HA ASN 14 -6.010 -1.741 -4.983
105 1HB ASN 14 1HB ASN 14 -5.296 -4.645 -5.576
106 2HB ASN 14 2HB ASN 14 -5.935 -3.501 -6.765
107 1HD2 ASN 14 2HD2 ASN 14 -3.384 -4.967 -6.857
108 2HD2 ASN 14 1HD2 ASN 14 -2.142 -3.741 -6.978
109 H ALA 15 H ALA 15 -6.860 -4.610 -3.259
110 HA ALA 15 HA ALA 15 -9.596 -4.819 -4.172
111 1HB ALA 15 1HB ALA 15 -8.364 -6.803 -3.324
112 2HB ALA 15 2HB ALA 15 -8.211 -6.020 -1.734
113 3HB ALA 15 3HB ALA 15 -9.811 -6.462 -2.336
114 H CYS 16 H CYS 16 -8.002 -3.301 -1.208
115 HA CYS 16 HA CYS 16 -10.584 -2.666 -0.093
116 1HB CYS 16 1HB CYS 16 -8.942 -2.779 1.492
117 2HB CYS 16 2HB CYS 16 -7.699 -2.040 0.486
118 H ARG 17 H ARG 17 -8.426 -1.300 -2.526
119 HA ARG 17 HA ARG 17 -9.649 1.322 -2.687
120 1HB ARG 17 1HB ARG 17 -7.691 -0.296 -4.354
121 2HB ARG 17 2HB ARG 17 -8.232 1.278 -4.848
122 1HG ARG 17 1HG ARG 17 -6.854 0.933 -2.178
123 2HG ARG 17 2HG ARG 17 -5.965 1.071 -3.688
124 1HD ARG 17 1HD ARG 17 -6.088 3.242 -2.666
125 2HD ARG 17 2HD ARG 17 -7.025 3.243 -4.161
126 HE ARG 17 HE ARG 17 -8.542 2.629 -1.734
127 1HH1 ARG 17 1HH1 ARG 17 -7.448 5.312 -3.814
128 2HH1 ARG 17 2HH1 ARG 17 -8.791 6.337 -3.373
129 1HH2 ARG 17 1HH2 ARG 17 -10.275 3.981 -1.201
130 2HH2 ARG 17 2HH2 ARG 17 -10.382 5.591 -1.874
131 H PHE 18 H PHE 18 -10.154 -1.905 -4.083
132 HA PHE 18 HA PHE 18 -12.220 -1.167 -5.931
133 1HB PHE 18 1HB PHE 18 -11.013 -3.494 -5.565
134 2HB PHE 18 2HB PHE 18 -12.214 -3.786 -4.377
135 HD1 PHE 18 HD1 PHE 18 -14.633 -3.927 -4.870
136 HD2 PHE 18 HD2 PHE 18 -11.674 -3.479 -7.986
137 HE1 PHE 18 HE1 PHE 18 -16.300 -4.649 -6.561
138 HE2 PHE 18 HE2 PHE 18 -13.341 -4.223 -9.670
139 HZ PHE 18 HZ PHE 18 -15.654 -4.808 -8.964
140 H THR 19 H THR 19 -12.284 -2.474 -2.539
141 HA THR 19 HA THR 19 -15.017 -2.050 -2.109
142 HB THR 19 HB THR 19 -14.638 -2.733 0.030
143 HG1 THR 19 HG1 THR 19 -12.183 -1.527 -0.095
144 1HG2 THR 19 1HG2 THR 19 -13.874 -4.775 -0.332
145 2HG2 THR 19 2HG2 THR 19 -13.487 -4.259 -1.973
146 3HG2 THR 19 3HG2 THR 19 -12.255 -4.214 -0.691
147 H GLY 20 H GLY 20 -15.688 -0.871 0.040
148 1HA GLY 20 1HA GLY 20 -15.507 2.047 -0.425
149 2HA GLY 20 2HA GLY 20 -16.621 1.183 0.639
150 H GLY 21 H GLY 21 -13.215 0.449 0.561
151 1HA GLY 21 1HA GLY 21 -12.605 1.555 3.231
152 2HA GLY 21 2HA GLY 21 -11.750 0.259 2.373
153 H SER 22 H SER 22 -11.767 3.547 2.947
154 HA SER 22 HA SER 22 -10.839 4.837 0.708
155 1HB SER 22 2HB SER 22 -10.419 5.382 3.568
156 2HB SER 22 1HB SER 22 -10.252 6.555 2.267
157 HG SER 22 HG SER 22 -12.273 6.719 3.297
158 H GLN 23 H GLN 23 -8.805 5.871 1.024
159 HA GLN 23 HA GLN 23 -6.757 3.975 0.220
160 1HB GLN 23 1HB GLN 23 -6.963 6.149 -0.936
161 2HB GLN 23 2HB GLN 23 -6.284 6.973 0.464
162 1HG GLN 23 1HG GLN 23 -4.209 5.624 0.268
163 2HG GLN 23 2HG GLN 23 -4.932 4.718 -1.062
164 1HE2 GLN 23 2HE2 GLN 23 -3.934 8.042 -0.074
165 2HE2 GLN 23 1HE2 GLN 23 -3.555 8.588 -1.696
166 HA PRO 24 HA PRO 24 -4.804 5.121 4.551
167 1HB PRO 24 1HB PRO 24 -7.574 5.793 5.762
168 2HB PRO 24 2HB PRO 24 -5.997 6.266 6.361
169 1HG PRO 24 1HG PRO 24 -7.479 8.022 4.927
170 2HG PRO 24 2HG PRO 24 -5.774 7.823 4.405
171 1HD PRO 24 1HD PRO 24 -8.222 6.327 3.387
172 2HD PRO 24 2HD PRO 24 -7.073 7.277 2.428
173 H THR 25 H THR 25 -8.123 4.076 4.600
174 HA THR 25 HA THR 25 -7.791 1.909 6.417
175 HB THR 25 HB THR 25 -9.678 2.344 4.225
176 HG1 THR 25 HG1 THR 25 -9.852 3.663 6.056
177 1HG2 THR 25 1HG2 THR 25 -11.078 0.443 5.291
178 2HG2 THR 25 2HG2 THR 25 -9.601 -0.122 4.509
179 3HG2 THR 25 3HG2 THR 25 -9.638 0.082 6.266
180 H CYS 26 H CYS 26 -7.156 2.029 2.998
181 HA CYS 26 HA CYS 26 -6.505 -0.805 2.761
182 1HB CYS 26 1HB CYS 26 -5.556 1.402 0.887
183 2HB CYS 26 2HB CYS 26 -5.719 -0.322 0.574
184 H GLY 27 H GLY 27 -4.501 2.094 2.895
185 1HA GLY 27 1HA GLY 27 -2.087 0.675 3.303
186 2HA GLY 27 2HA GLY 27 -2.318 2.392 3.667
187 H ILE 28 H ILE 28 -4.638 1.177 5.545
188 HA ILE 28 HA ILE 28 -2.876 0.481 7.765
189 HB ILE 28 HB ILE 28 -5.869 0.917 7.569
190 1HG1 ILE 28 1HG1 ILE 28 -3.874 2.561 9.240
191 2HG1 ILE 28 2HG1 ILE 28 -4.049 2.918 7.528
192 1HG2 ILE 28 1HG2 ILE 28 -5.914 0.885 10.071
193 2HG2 ILE 28 2HG2 ILE 28 -5.656 -0.668 9.296
194 3HG2 ILE 28 3HG2 ILE 28 -4.267 0.185 10.007
195 1HD1 ILE 28 1HD1 ILE 28 -6.291 3.000 9.575
196 2HD1 ILE 28 2HD1 ILE 28 -5.497 4.380 8.784
197 3HD1 ILE 28 3HD1 ILE 28 -6.484 3.255 7.825
198 H LEU 29 H LEU 29 -5.685 -0.914 6.200
199 HA LEU 29 HA LEU 29 -5.691 -3.150 8.010
200 1HB LEU 29 1HB LEU 29 -7.111 -2.900 5.323
201 2HB LEU 29 2HB LEU 29 -7.325 -4.254 6.441
202 HG LEU 29 HG LEU 29 -7.930 -1.375 7.057
203 1HD1 LEU 29 1HD1 LEU 29 -9.486 -2.389 5.374
204 2HD1 LEU 29 2HD1 LEU 29 -9.798 -3.742 6.472
205 3HD1 LEU 29 3HD1 LEU 29 -10.337 -2.111 6.905
206 1HD2 LEU 29 1HD2 LEU 29 -8.457 -3.893 8.700
207 2HD2 LEU 29 2HD2 LEU 29 -7.439 -2.512 9.165
208 3HD2 LEU 29 3HD2 LEU 29 -9.185 -2.316 9.043
209 H CYS 30 H CYS 30 -4.749 -2.516 4.773
210 HA CYS 30 HA CYS 30 -3.277 -5.064 4.357
211 1HB CYS 30 1HB CYS 30 -3.308 -2.688 2.476
212 2HB CYS 30 2HB CYS 30 -2.934 -4.348 2.153
213 H ASP 31 H ASP 31 -2.549 -2.254 6.090
214 HA ASP 31 HA ASP 31 -0.653 -1.406 6.908
215 1HB ASP 31 1HB ASP 31 0.477 -4.112 6.078
216 2HB ASP 31 2HB ASP 31 1.194 -3.016 7.266
217 HD2 ASP 31 HD2 ASP 31 -1.236 -3.684 9.762
218 H CYS 32 H CYS 32 -1.121 -0.741 4.210
219 HA CYS 32 HA CYS 32 1.615 -0.614 2.909
220 1HB CYS 32 1HB CYS 32 -0.931 0.445 1.656
221 2HB CYS 32 2HB CYS 32 0.617 0.257 0.940
222 H ILE 33 H ILE 33 2.058 1.828 1.873
223 HA ILE 33 HA ILE 33 1.445 3.848 3.983
224 HB ILE 33 HB ILE 33 3.848 4.527 3.812
225 1HG1 ILE 33 1HG1 ILE 33 4.275 1.811 2.502
226 2HG1 ILE 33 2HG1 ILE 33 4.279 3.342 1.605
227 1HG2 ILE 33 1HG2 ILE 33 3.426 1.707 4.867
228 2HG2 ILE 33 2HG2 ILE 33 4.656 2.876 5.398
229 3HG2 ILE 33 3HG2 ILE 33 2.954 3.192 5.704
230 1HD1 ILE 33 1HD1 ILE 33 6.195 4.077 3.012
231 2HD1 ILE 33 2HD1 ILE 33 6.190 2.508 3.817
232 3HD1 ILE 33 3HD1 ILE 33 6.529 2.592 2.080
233 H HIS 34 H HIS 34 2.692 5.948 2.984
234 HA HIS 34 HA HIS 34 2.168 6.152 0.116
235 1HB HIS 34 1HB HIS 34 0.167 7.131 1.307
236 2HB HIS 34 2HB HIS 34 1.241 8.266 2.119
237 HD1 HIS 34 HD1 HIS 34 -0.780 7.830 -0.915
238 HD2 HIS 34 HD2 HIS 34 2.687 9.993 0.159
239 HE1 HIS 34 HE1 HIS 34 -0.440 9.654 -2.670
240 HE2 HIS 34 HE2 HIS 34 1.669 10.964 -2.033
241 H VAL 35 H VAL 35 4.065 6.535 -0.748
242 HA VAL 35 HA VAL 35 6.100 7.956 0.928
243 HB VAL 35 HB VAL 35 7.786 7.091 -0.370
244 1HG1 VAL 35 1HG1 VAL 35 6.228 4.870 0.803
245 2HG1 VAL 35 2HG1 VAL 35 7.973 4.898 0.462
246 3HG1 VAL 35 3HG1 VAL 35 7.318 6.022 1.662
247 1HG2 VAL 35 1HG2 VAL 35 5.875 5.240 -1.726
248 2HG2 VAL 35 2HG2 VAL 35 6.867 6.522 -2.510
249 3HG2 VAL 35 3HG2 VAL 35 7.648 5.111 -1.792
250 H THR 36 H THR 36 7.070 9.582 0.223
251 HA THR 36 HA THR 36 7.076 10.272 -2.654
252 HB THR 36 HB THR 36 7.628 12.591 -2.112
253 HG1 THR 36 HG1 THR 36 7.255 13.339 0.010
254 1HG2 THR 36 1HG2 THR 36 5.346 13.294 -1.513
255 2HG2 THR 36 2HG2 THR 36 5.276 11.876 -2.584
256 3HG2 THR 36 3HG2 THR 36 4.981 11.690 -0.847
257 H THR 37 H THR 37 8.278 8.169 -1.736
258 HA THR 37 HA THR 37 10.954 8.509 -0.890
259 HB THR 37 HB THR 37 9.794 6.093 -1.893
260 HG1 THR 37 HG1 THR 37 9.895 5.639 0.420
261 1HG2 THR 37 1HG2 THR 37 11.658 5.036 -0.490
262 2HG2 THR 37 2HG2 THR 37 12.150 5.675 -2.030
263 3HG2 THR 37 3HG2 THR 37 12.452 6.614 -0.544
264 H THR 38 H THR 38 12.277 7.415 -2.526
265 HA THR 38 HA THR 38 12.573 8.520 -5.233
266 HB THR 38 HB THR 38 13.871 6.106 -4.178
267 HG1 THR 38 HG1 THR 38 15.600 7.533 -3.729
268 1HG2 THR 38 1HG2 THR 38 14.009 6.315 -6.662
269 2HG2 THR 38 2HG2 THR 38 14.641 7.959 -6.474
270 3HG2 THR 38 3HG2 THR 38 15.595 6.562 -5.917
271 H THR 39 H THR 39 11.584 5.255 -3.919
272 HA THR 39 HA THR 39 9.529 4.679 -5.774
273 HB THR 39 HB THR 39 11.695 2.798 -5.475
274 HG1 THR 39 HG1 THR 39 12.942 4.487 -6.205
275 1HG2 THR 39 1HG2 THR 39 11.072 2.159 -7.814
276 2HG2 THR 39 2HG2 THR 39 9.690 2.132 -6.712
277 3HG2 THR 39 3HG2 THR 39 9.915 3.519 -7.814
278 H CYS 40 H CYS 40 8.886 2.488 -5.093
279 HA CYS 40 HA CYS 40 8.202 2.439 -2.438
280 1HB CYS 40 1HB CYS 40 8.156 0.201 -4.499
281 2HB CYS 40 2HB CYS 40 7.543 -0.039 -2.870
282 HA PRO 41 HA PRO 41 12.090 1.476 -0.632
283 1HB PRO 41 1HB PRO 41 11.441 1.637 2.002
284 2HB PRO 41 2HB PRO 41 11.381 3.030 0.906
285 1HG PRO 41 1HG PRO 41 9.061 1.223 1.686
286 2HG PRO 41 2HG PRO 41 9.141 3.003 1.781
287 1HD PRO 41 1HD PRO 41 8.023 1.826 -0.375
288 2HD PRO 41 2HD PRO 41 9.091 3.240 -0.569
289 H SER 42 H SER 42 13.088 0.193 1.023
290 HA SER 42 HA SER 42 12.874 -2.636 0.786
291 1HB SER 42 1HB SER 42 14.049 -0.829 2.943
292 2HB SER 42 2HB SER 42 14.316 -2.585 2.823
293 HG SER 42 HG SER 42 16.002 -1.364 1.850
294 H SER 43 H SER 43 11.319 -0.221 2.965
295 HA SER 43 HA SER 43 10.485 -2.069 5.000
296 1HB SER 43 2HB SER 43 9.710 0.675 4.271
297 2HB SER 43 1HB SER 43 9.203 -0.139 5.737
298 HG SER 43 HG SER 43 11.040 1.207 6.059
299 H HIS 44 H HIS 44 9.341 -0.954 1.963
300 HA HIS 44 HA HIS 44 6.842 -2.601 2.081
301 1HB HIS 44 1HB HIS 44 6.834 0.389 1.649
302 2HB HIS 44 2HB HIS 44 5.512 -0.704 1.264
303 HD1 HIS 44 HD1 HIS 44 7.473 0.489 4.314
304 HD2 HIS 44 HD2 HIS 44 3.866 -1.450 3.324
305 HE1 HIS 44 HE1 HIS 44 6.085 0.319 6.454
306 HE2 HIS 44 HE2 HIS 44 3.875 -0.834 5.841
307 HA PRO 45 HA PRO 45 9.391 -2.636 -1.818
308 1HB PRO 45 1HB PRO 45 9.202 -5.305 -2.463
309 2HB PRO 45 2HB PRO 45 10.320 -4.634 -1.251
310 1HG PRO 45 1HG PRO 45 7.582 -5.828 -0.769
311 2HG PRO 45 2HG PRO 45 9.115 -6.256 0.049
312 1HD PRO 45 1HD PRO 45 7.425 -4.513 1.202
313 2HD PRO 45 2HD PRO 45 9.165 -4.173 1.229
314 H SER 46 H SER 46 5.984 -3.978 -1.503
315 HA SER 46 HA SER 46 5.787 -4.131 -4.431
316 1HB SER 46 1HB SER 46 4.786 -5.946 -3.166
317 2HB SER 46 2HB SER 46 3.864 -4.825 -2.189
318 HG SER 46 HG SER 46 3.782 -5.224 -5.026
319 HXT SER 46 HO OH 47 6.207 -1.901 -4.694
Start of MODEL 9
1 1H LYS 1 1H LYS 1 1.969 8.985 -3.969
2 2H LYS 1 2H LYS 1 3.343 9.577 -3.276
3 3H LYS 1 3H LYS 1 3.194 9.546 -4.915
4 HA LYS 1 HA LYS 1 3.136 7.220 -4.950
5 1HB LYS 1 1HB LYS 1 5.401 8.806 -4.505
6 2HB LYS 1 2HB LYS 1 5.601 7.500 -3.340
7 1HG LYS 1 1HG LYS 1 5.203 7.177 -6.337
8 2HG LYS 1 2HG LYS 1 6.720 7.056 -5.441
9 1HD LYS 1 1HD LYS 1 5.603 5.158 -4.081
10 2HD LYS 1 2HD LYS 1 4.324 5.177 -5.299
11 1HE LYS 1 1HE LYS 1 5.864 3.488 -6.002
12 2HE LYS 1 2HE LYS 1 6.165 4.860 -7.079
13 1HZ LYS 1 1HZ LYS 1 7.727 4.182 -4.695
14 2HZ LYS 1 2HZ LYS 1 8.158 3.869 -6.253
15 3HZ LYS 1 3HZ LYS 1 8.034 5.427 -5.730
16 H SER 2 H SER 2 2.573 5.362 -3.960
17 HA SER 2 HA SER 2 2.512 5.015 -0.994
18 1HB SER 2 1HB SER 2 0.111 4.783 -2.876
19 2HB SER 2 2HB SER 2 0.162 4.214 -1.202
20 HG SER 2 HG SER 2 -0.736 6.296 -1.360
21 H CYS 3 H CYS 3 3.343 3.162 -0.498
22 HA CYS 3 HA CYS 3 3.696 1.060 -2.582
23 1HB CYS 3 1HB CYS 3 5.617 2.244 -0.554
24 2HB CYS 3 2HB CYS 3 5.937 0.768 -1.448
25 H CYS 4 H CYS 4 3.541 -1.132 -1.790
26 HA CYS 4 HA CYS 4 2.269 -1.407 0.856
27 1HB CYS 4 1HB CYS 4 1.967 -2.776 -1.824
28 2HB CYS 4 2HB CYS 4 1.382 -3.480 -0.362
29 H ARG 5 H ARG 5 2.581 -3.038 2.017
30 HA ARG 5 HA ARG 5 5.123 -3.803 2.525
31 1HB ARG 5 1HB ARG 5 3.425 -3.596 4.198
32 2HB ARG 5 2HB ARG 5 2.338 -4.682 3.314
33 1HG ARG 5 1HG ARG 5 2.905 -5.753 5.181
34 2HG ARG 5 2HG ARG 5 3.789 -6.573 3.888
35 1HD ARG 5 1HD ARG 5 4.984 -4.414 5.752
36 2HD ARG 5 2HD ARG 5 5.101 -6.153 6.093
37 HE ARG 5 HE ARG 5 6.113 -5.631 3.489
38 1HH1 ARG 5 1HH1 ARG 5 7.032 -5.115 6.889
39 2HH1 ARG 5 2HH1 ARG 5 8.745 -5.159 6.535
40 1HH2 ARG 5 1HH2 ARG 5 8.338 -5.693 3.078
41 2HH2 ARG 5 2HH2 ARG 5 9.486 -5.463 4.378
42 H ASN 6 H ASN 6 2.934 -5.262 0.311
43 HA ASN 6 HA ASN 6 4.754 -6.589 -1.061
44 1HB ASN 6 1HB ASN 6 4.055 -9.021 -0.737
45 2HB ASN 6 2HB ASN 6 5.122 -8.358 0.472
46 1HD2 ASN 6 2HD2 ASN 6 3.995 -10.572 1.218
47 2HD2 ASN 6 1HD2 ASN 6 2.682 -10.306 2.360
48 H THR 7 H THR 7 3.759 -8.100 -2.536
49 HA THR 7 HA THR 7 1.856 -6.586 -4.129
50 HB THR 7 HB THR 7 3.026 -9.256 -4.427
51 HG1 THR 7 HG1 THR 7 4.475 -7.518 -4.614
52 1HG2 THR 7 1HG2 THR 7 1.264 -7.513 -6.187
53 2HG2 THR 7 2HG2 THR 7 2.201 -8.899 -6.833
54 3HG2 THR 7 3HG2 THR 7 0.920 -9.169 -5.627
55 H LEU 8 H LEU 8 1.768 -9.177 -1.769
56 HA LEU 8 HA LEU 8 -0.929 -10.045 -1.844
57 1HB LEU 8 1HB LEU 8 1.418 -10.416 -0.344
58 2HB LEU 8 2HB LEU 8 0.535 -9.516 0.763
59 HG LEU 8 HG LEU 8 -0.455 -12.151 -0.374
60 1HD1 LEU 8 1HD1 LEU 8 0.485 -11.303 2.414
61 2HD1 LEU 8 2HD1 LEU 8 -0.115 -12.912 1.962
62 3HD1 LEU 8 3HD1 LEU 8 1.404 -12.309 1.272
63 1HD2 LEU 8 1HD2 LEU 8 -1.716 -10.192 1.622
64 2HD2 LEU 8 2HD2 LEU 8 -2.389 -10.696 0.055
65 3HD2 LEU 8 3HD2 LEU 8 -2.275 -11.862 1.377
66 H ALA 9 H ALA 9 0.816 -7.489 -0.342
67 HA ALA 9 HA ALA 9 -1.455 -6.567 1.322
68 1HB ALA 9 1HB ALA 9 0.622 -6.176 2.250
69 2HB ALA 9 2HB ALA 9 1.154 -5.254 0.815
70 3HB ALA 9 3HB ALA 9 -0.111 -4.596 1.851
71 H ARG 10 H ARG 10 0.098 -5.538 -1.573
72 HA ARG 10 HA ARG 10 -1.337 -3.354 -2.524
73 1HB ARG 10 1HB ARG 10 0.879 -4.060 -3.214
74 2HB ARG 10 2HB ARG 10 0.223 -5.645 -3.595
75 1HG ARG 10 1HG ARG 10 0.855 -4.333 -5.588
76 2HG ARG 10 2HG ARG 10 -0.807 -4.946 -5.568
77 1HD ARG 10 1HD ARG 10 -0.691 -2.670 -6.275
78 2HD ARG 10 2HD ARG 10 -1.631 -2.880 -4.758
79 HE ARG 10 HE ARG 10 0.954 -2.147 -3.995
80 1HH1 ARG 10 1HH1 ARG 10 -1.836 -0.604 -5.580
81 2HH1 ARG 10 2HH1 ARG 10 -1.417 0.984 -4.987
82 1HH2 ARG 10 1HH2 ARG 10 1.496 -0.073 -3.289
83 2HH2 ARG 10 2HH2 ARG 10 0.489 1.294 -3.708
84 H ASN 11 H ASN 11 -1.823 -6.806 -2.713
85 HA ASN 11 HA ASN 11 -4.124 -6.647 -4.545
86 1HB ASN 11 1HB ASN 11 -3.109 -8.975 -2.870
87 2HB ASN 11 2HB ASN 11 -4.543 -9.046 -3.888
88 1HD2 ASN 11 2HD2 ASN 11 -2.438 -10.804 -4.313
89 2HD2 ASN 11 1HD2 ASN 11 -1.674 -10.417 -5.841
90 H CYS 12 H CYS 12 -3.844 -7.327 -1.030
91 HA CYS 12 HA CYS 12 -6.425 -6.978 -0.167
92 1HB CYS 12 1HB CYS 12 -4.723 -7.794 1.290
93 2HB CYS 12 2HB CYS 12 -3.747 -6.350 1.088
94 H TYR 13 H TYR 13 -4.002 -4.531 -0.791
95 HA TYR 13 HA TYR 13 -5.560 -2.285 0.031
96 1HB TYR 13 1HB TYR 13 -3.168 -2.153 -0.066
97 2HB TYR 13 2HB TYR 13 -3.156 -2.501 -1.790
98 HD1 TYR 13 HD1 TYR 13 -3.865 -0.794 -3.472
99 HD2 TYR 13 HD2 TYR 13 -3.333 0.121 0.705
100 HE1 TYR 13 HE1 TYR 13 -3.813 1.622 -4.018
101 HE2 TYR 13 HE2 TYR 13 -3.286 2.550 0.169
102 HH TYR 13 HH TYR 13 -3.686 3.781 -3.191
103 H ASN 14 H ASN 14 -5.062 -3.610 -3.220
104 HA ASN 14 HA ASN 14 -6.728 -1.724 -4.626
105 1HB ASN 14 1HB ASN 14 -5.791 -4.537 -5.343
106 2HB ASN 14 2HB ASN 14 -6.621 -3.440 -6.458
107 1HD2 ASN 14 2HD2 ASN 14 -3.895 -4.668 -6.635
108 2HD2 ASN 14 1HD2 ASN 14 -2.805 -3.315 -6.855
109 H ALA 15 H ALA 15 -7.190 -4.696 -2.919
110 HA ALA 15 HA ALA 15 -9.976 -5.110 -3.605
111 1HB ALA 15 1HB ALA 15 -8.562 -6.989 -2.850
112 2HB ALA 15 2HB ALA 15 -8.322 -6.179 -1.282
113 3HB ALA 15 3HB ALA 15 -9.934 -6.728 -1.743
114 H CYS 16 H CYS 16 -8.255 -3.496 -0.737
115 HA CYS 16 HA CYS 16 -10.722 -3.065 0.620
116 1HB CYS 16 1HB CYS 16 -8.914 -2.867 1.992
117 2HB CYS 16 2HB CYS 16 -7.881 -2.105 0.800
118 H ARG 17 H ARG 17 -8.961 -1.516 -2.006
119 HA ARG 17 HA ARG 17 -10.404 0.963 -2.032
120 1HB ARG 17 2HB ARG 17 -8.181 0.798 -2.971
121 2HB ARG 17 1HB ARG 17 -8.744 -0.368 -4.178
122 1HG ARG 17 1HG ARG 17 -8.486 1.682 -5.260
123 2HG ARG 17 2HG ARG 17 -10.225 1.423 -5.156
124 1HD ARG 17 1HD ARG 17 -8.585 3.216 -3.288
125 2HD ARG 17 2HD ARG 17 -9.406 3.781 -4.753
126 HE ARG 17 HE ARG 17 -11.162 2.452 -2.833
127 1HH1 ARG 17 1HH1 ARG 17 -9.757 5.607 -3.690
128 2HH1 ARG 17 2HH1 ARG 17 -11.024 6.488 -2.869
129 1HH2 ARG 17 1HH2 ARG 17 -12.738 3.608 -1.764
130 2HH2 ARG 17 2HH2 ARG 17 -12.702 5.357 -1.771
131 H PHE 18 H PHE 18 -10.841 -2.248 -3.518
132 HA PHE 18 HA PHE 18 -13.125 -1.728 -5.127
133 1HB PHE 18 2HB PHE 18 -11.552 -3.919 -4.782
134 2HB PHE 18 1HB PHE 18 -12.716 -4.355 -3.652
135 HD1 PHE 18 HD1 PHE 18 -12.088 -3.908 -7.225
136 HD2 PHE 18 HD2 PHE 18 -15.134 -4.736 -4.268
137 HE1 PHE 18 HE1 PHE 18 -13.607 -4.744 -9.010
138 HE2 PHE 18 HE2 PHE 18 -16.642 -5.572 -6.067
139 HZ PHE 18 HZ PHE 18 -15.882 -5.554 -8.440
140 H THR 19 H THR 19 -12.721 -2.961 -1.766
141 HA THR 19 HA THR 19 -15.442 -3.428 -1.366
142 HB THR 19 HB THR 19 -14.649 -4.160 0.847
143 HG1 THR 19 HG1 THR 19 -13.425 -2.380 1.289
144 1HG2 THR 19 1HG2 THR 19 -14.001 -5.936 -0.365
145 2HG2 THR 19 2HG2 THR 19 -13.333 -4.986 -1.659
146 3HG2 THR 19 3HG2 THR 19 -12.353 -5.279 -0.207
147 H GLY 20 H GLY 20 -14.835 -0.385 -1.692
148 1HA GLY 20 1HA GLY 20 -15.767 1.539 -0.868
149 2HA GLY 20 2HA GLY 20 -16.727 0.612 0.305
150 H GLY 21 H GLY 21 -13.554 -0.469 0.739
151 1HA GLY 21 1HA GLY 21 -12.781 1.266 2.827
152 2HA GLY 21 2HA GLY 21 -11.867 -0.004 2.003
153 H SER 22 H SER 22 -11.543 2.775 2.575
154 HA SER 22 HA SER 22 -11.434 4.663 0.538
155 1HB SER 22 2HB SER 22 -9.914 4.666 3.021
156 2HB SER 22 1HB SER 22 -10.454 6.045 2.067
157 HG SER 22 HG SER 22 -12.104 4.242 3.466
158 H GLN 23 H GLN 23 -8.782 5.463 1.324
159 HA GLN 23 HA GLN 23 -6.921 3.602 -0.042
160 1HB GLN 23 1HB GLN 23 -6.864 6.618 -0.421
161 2HB GLN 23 2HB GLN 23 -5.451 5.572 -0.643
162 1HG GLN 23 1HG GLN 23 -6.702 4.218 -2.293
163 2HG GLN 23 2HG GLN 23 -8.110 5.267 -2.086
164 1HE2 GLN 23 2HE2 GLN 23 -4.604 5.355 -2.968
165 2HE2 GLN 23 1HE2 GLN 23 -4.763 6.649 -4.138
166 HA PRO 24 HA PRO 24 -4.978 5.488 3.987
167 1HB PRO 24 1HB PRO 24 -7.728 6.342 5.116
168 2HB PRO 24 2HB PRO 24 -6.150 6.862 5.647
169 1HG PRO 24 1HG PRO 24 -7.560 8.438 3.949
170 2HG PRO 24 2HG PRO 24 -5.881 8.075 3.430
171 1HD PRO 24 1HD PRO 24 -8.404 6.540 2.780
172 2HD PRO 24 2HD PRO 24 -7.281 7.236 1.600
173 H THR 25 H THR 25 -8.270 4.382 4.266
174 HA THR 25 HA THR 25 -7.849 2.439 6.344
175 HB THR 25 HB THR 25 -9.739 2.543 4.108
176 HG1 THR 25 HG1 THR 25 -11.223 2.945 5.817
177 1HG2 THR 25 1HG2 THR 25 -9.519 0.403 6.301
178 2HG2 THR 25 2HG2 THR 25 -10.977 0.592 5.301
179 3HG2 THR 25 3HG2 THR 25 -9.454 0.112 4.576
180 H CYS 26 H CYS 26 -7.324 2.226 2.898
181 HA CYS 26 HA CYS 26 -6.717 -0.613 2.946
182 1HB CYS 26 1HB CYS 26 -5.951 1.451 0.816
183 2HB CYS 26 2HB CYS 26 -6.056 -0.294 0.623
184 H GLY 27 H GLY 27 -4.661 2.244 2.808
185 1HA GLY 27 1HA GLY 27 -2.254 0.742 3.115
186 2HA GLY 27 2HA GLY 27 -2.395 2.496 3.360
187 H ILE 28 H ILE 28 -4.664 1.727 5.460
188 HA ILE 28 HA ILE 28 -2.855 1.085 7.646
189 HB ILE 28 HB ILE 28 -5.869 1.425 7.473
190 1HG1 ILE 28 1HG1 ILE 28 -3.903 3.096 9.114
191 2HG1 ILE 28 2HG1 ILE 28 -4.102 3.447 7.398
192 1HG2 ILE 28 1HG2 ILE 28 -4.223 0.671 9.856
193 2HG2 ILE 28 2HG2 ILE 28 -5.870 1.379 9.970
194 3HG2 ILE 28 3HG2 ILE 28 -5.640 -0.159 9.168
195 1HD1 ILE 28 1HD1 ILE 28 -5.559 4.885 8.669
196 2HD1 ILE 28 2HD1 ILE 28 -6.542 3.752 7.723
197 3HD1 ILE 28 3HD1 ILE 28 -6.330 3.502 9.464
198 H LEU 29 H LEU 29 -5.640 -0.485 6.251
199 HA LEU 29 HA LEU 29 -5.622 -2.593 8.104
200 1HB LEU 29 1HB LEU 29 -7.746 -2.766 7.539
201 2HB LEU 29 2HB LEU 29 -7.498 -1.593 6.292
202 HG LEU 29 HG LEU 29 -6.673 -3.476 4.877
203 1HD1 LEU 29 1HD1 LEU 29 -8.405 -5.099 6.828
204 2HD1 LEU 29 2HD1 LEU 29 -7.715 -5.714 5.314
205 3HD1 LEU 29 3HD1 LEU 29 -6.661 -5.290 6.667
206 1HD2 LEU 29 1HD2 LEU 29 -9.625 -3.223 5.600
207 2HD2 LEU 29 2HD2 LEU 29 -8.729 -2.260 4.412
208 3HD2 LEU 29 3HD2 LEU 29 -9.015 -3.983 4.114
209 H CYS 30 H CYS 30 -4.547 -2.192 4.857
210 HA CYS 30 HA CYS 30 -3.252 -4.862 4.719
211 1HB CYS 30 1HB CYS 30 -3.215 -2.682 2.617
212 2HB CYS 30 2HB CYS 30 -2.854 -4.385 2.435
213 H ASP 31 H ASP 31 -2.339 -1.875 6.095
214 HA ASP 31 HA ASP 31 -0.332 -1.005 6.645
215 1HB ASP 31 1HB ASP 31 0.711 -3.836 6.155
216 2HB ASP 31 2HB ASP 31 1.537 -2.557 7.027
217 HD2 ASP 31 HD2 ASP 31 -1.614 -4.479 8.740
218 H CYS 32 H CYS 32 -1.006 -0.262 4.213
219 HA CYS 32 HA CYS 32 1.621 -0.094 2.677
220 1HB CYS 32 1HB CYS 32 -0.998 0.867 1.526
221 2HB CYS 32 2HB CYS 32 0.528 0.674 0.758
222 H ILE 33 H ILE 33 2.244 2.139 1.906
223 HA ILE 33 HA ILE 33 1.645 4.113 4.103
224 HB ILE 33 HB ILE 33 4.113 4.527 4.123
225 1HG1 ILE 33 1HG1 ILE 33 4.373 1.915 2.588
226 2HG1 ILE 33 2HG1 ILE 33 4.484 3.491 1.795
227 1HG2 ILE 33 1HG2 ILE 33 2.977 3.142 5.819
228 2HG2 ILE 33 2HG2 ILE 33 3.304 1.695 4.853
229 3HG2 ILE 33 3HG2 ILE 33 4.636 2.637 5.548
230 1HD1 ILE 33 1HD1 ILE 33 6.297 2.551 4.052
231 2HD1 ILE 33 2HD1 ILE 33 6.697 2.574 2.327
232 3HD1 ILE 33 3HD1 ILE 33 6.394 4.091 3.200
233 H HIS 34 H HIS 34 3.362 6.076 3.274
234 HA HIS 34 HA HIS 34 2.868 6.578 0.456
235 1HB HIS 34 1HB HIS 34 1.038 7.779 1.662
236 2HB HIS 34 2HB HIS 34 2.241 8.662 2.603
237 HD1 HIS 34 HD1 HIS 34 0.387 8.728 -0.605
238 HD2 HIS 34 HD2 HIS 34 3.959 10.364 0.934
239 HE1 HIS 34 HE1 HIS 34 1.093 10.620 -2.172
240 HE2 HIS 34 HE2 HIS 34 3.277 11.607 -1.252
241 H VAL 35 H VAL 35 4.778 6.827 -0.408
242 HA VAL 35 HA VAL 35 7.034 7.982 1.193
243 HB VAL 35 HB VAL 35 8.525 7.030 -0.286
244 1HG1 VAL 35 1HG1 VAL 35 6.819 4.894 0.876
245 2HG1 VAL 35 2HG1 VAL 35 8.539 4.808 0.448
246 3HG1 VAL 35 3HG1 VAL 35 8.038 5.902 1.740
247 1HG2 VAL 35 1HG2 VAL 35 7.591 6.629 -2.375
248 2HG2 VAL 35 2HG2 VAL 35 7.878 5.016 -1.691
249 3HG2 VAL 35 3HG2 VAL 35 6.246 5.658 -1.683
250 H THR 36 H THR 36 8.231 9.509 0.410
251 HA THR 36 HA THR 36 7.936 10.329 -2.402
252 HB THR 36 HB THR 36 8.741 12.597 -1.876
253 HG1 THR 36 HG1 THR 36 8.196 11.884 0.818
254 1HG2 THR 36 1HG2 THR 36 6.579 13.450 -1.121
255 2HG2 THR 36 2HG2 THR 36 6.324 12.057 -2.195
256 3HG2 THR 36 3HG2 THR 36 6.145 11.870 -0.440
257 H THR 37 H THR 37 9.130 8.100 -1.592
258 HA THR 37 HA THR 37 11.751 8.182 -0.854
259 HB THR 37 HB THR 37 11.826 5.928 -1.890
260 HG1 THR 37 HG1 THR 37 9.875 5.016 -2.165
261 1HG2 THR 37 1HG2 THR 37 10.738 4.947 0.059
262 2HG2 THR 37 2HG2 THR 37 12.006 6.119 0.380
263 3HG2 THR 37 3HG2 THR 37 10.339 6.596 0.614
264 H THR 38 H THR 38 13.100 7.119 -2.494
265 HA THR 38 HA THR 38 13.532 8.017 -5.233
266 HB THR 38 HB THR 38 14.918 5.911 -5.238
267 HG1 THR 38 HG1 THR 38 15.300 4.902 -3.266
268 1HG2 THR 38 1HG2 THR 38 15.532 7.829 -2.953
269 2HG2 THR 38 2HG2 THR 38 16.692 6.762 -3.766
270 3HG2 THR 38 3HG2 THR 38 15.934 8.093 -4.659
271 H THR 39 H THR 39 12.095 4.995 -3.658
272 HA THR 39 HA THR 39 10.251 4.302 -5.679
273 HB THR 39 HB THR 39 12.422 2.481 -5.087
274 HG1 THR 39 HG1 THR 39 12.799 4.448 -7.080
275 1HG2 THR 39 1HG2 THR 39 12.046 1.740 -7.460
276 2HG2 THR 39 2HG2 THR 39 10.580 1.688 -6.458
277 3HG2 THR 39 3HG2 THR 39 10.824 3.035 -7.598
278 H CYS 40 H CYS 40 9.541 2.169 -4.987
279 HA CYS 40 HA CYS 40 8.568 2.263 -2.386
280 1HB CYS 40 1HB CYS 40 8.558 -0.040 -4.377
281 2HB CYS 40 2HB CYS 40 7.755 -0.121 -2.818
282 HA PRO 41 HA PRO 41 12.293 1.060 -0.358
283 1HB PRO 41 1HB PRO 41 11.532 1.382 2.229
284 2HB PRO 41 2HB PRO 41 11.586 2.733 1.082
285 1HG PRO 41 1HG PRO 41 9.146 1.078 1.805
286 2HG PRO 41 2HG PRO 41 9.316 2.860 1.841
287 1HD PRO 41 1HD PRO 41 8.246 1.680 -0.334
288 2HD PRO 41 2HD PRO 41 9.409 3.026 -0.494
289 H SER 42 H SER 42 13.115 -0.256 1.367
290 HA SER 42 HA SER 42 12.650 -3.062 1.232
291 1HB SER 42 1HB SER 42 13.904 -1.288 3.368
292 2HB SER 42 2HB SER 42 14.014 -3.061 3.320
293 HG SER 42 HG SER 42 15.840 -2.047 2.366
294 H SER 43 H SER 43 11.236 -0.431 3.254
295 HA SER 43 HA SER 43 10.140 -2.069 5.313
296 1HB SER 43 2HB SER 43 9.567 0.658 4.362
297 2HB SER 43 1HB SER 43 8.972 -0.024 5.868
298 HG SER 43 HG SER 43 11.163 -0.290 6.505
299 H HIS 44 H HIS 44 9.243 -1.107 2.140
300 HA HIS 44 HA HIS 44 6.591 -2.496 2.180
301 1HB HIS 44 1HB HIS 44 6.872 0.470 1.800
302 2HB HIS 44 2HB HIS 44 5.472 -0.473 1.303
303 HD1 HIS 44 HD1 HIS 44 7.295 0.571 4.496
304 HD2 HIS 44 HD2 HIS 44 3.784 -1.362 3.231
305 HE1 HIS 44 HE1 HIS 44 5.872 0.171 6.578
306 HE2 HIS 44 HE2 HIS 44 3.709 -0.994 5.821
307 HA PRO 45 HA PRO 45 9.368 -2.866 -1.520
308 1HB PRO 45 1HB PRO 45 8.870 -5.536 -2.135
309 2HB PRO 45 2HB PRO 45 10.057 -4.935 -0.952
310 1HG PRO 45 1HG PRO 45 7.211 -5.830 -0.421
311 2HG PRO 45 2HG PRO 45 8.700 -6.348 0.428
312 1HD PRO 45 1HD PRO 45 7.180 -4.431 1.493
313 2HD PRO 45 2HD PRO 45 8.943 -4.176 1.456
314 H SER 46 H SER 46 5.812 -3.730 -1.513
315 HA SER 46 HA SER 46 5.823 -3.828 -4.462
316 1HB SER 46 1HB SER 46 4.520 -5.476 -3.356
317 2HB SER 46 2HB SER 46 3.718 -4.283 -2.336
318 HG SER 46 HG SER 46 3.568 -4.527 -5.171
319 HXT SER 46 HO OH 47 3.988 -0.877 -5.104
Start of MODEL 10
1 1H LYS 1 1H LYS 1 2.363 9.203 -3.769
2 2H LYS 1 2H LYS 1 3.789 9.623 -3.064
3 3H LYS 1 3H LYS 1 3.635 9.671 -4.710
4 HA LYS 1 HA LYS 1 3.332 7.356 -4.812
5 1HB LYS 1 1HB LYS 1 5.699 8.670 -4.571
6 2HB LYS 1 2HB LYS 1 5.862 7.546 -3.231
7 1HG LYS 1 1HG LYS 1 5.399 6.837 -6.156
8 2HG LYS 1 2HG LYS 1 6.901 6.731 -5.240
9 1HD LYS 1 1HD LYS 1 5.557 5.088 -3.666
10 2HD LYS 1 2HD LYS 1 4.410 5.023 -5.018
11 1HE LYS 1 1HE LYS 1 5.925 3.172 -5.290
12 2HE LYS 1 2HE LYS 1 6.361 4.367 -6.528
13 1HZ LYS 1 1HZ LYS 1 7.708 3.989 -3.956
14 2HZ LYS 1 2HZ LYS 1 8.252 3.469 -5.425
15 3HZ LYS 1 3HZ LYS 1 8.132 5.084 -5.112
16 H SER 2 H SER 2 2.741 5.468 -3.847
17 HA SER 2 HA SER 2 2.705 5.082 -0.893
18 1HB SER 2 1HB SER 2 0.254 5.048 -2.727
19 2HB SER 2 2HB SER 2 0.301 4.398 -1.080
20 HG SER 2 HG SER 2 -0.489 6.531 -1.145
21 H CYS 3 H CYS 3 3.600 3.181 -0.535
22 HA CYS 3 HA CYS 3 3.629 1.208 -2.743
23 1HB CYS 3 1HB CYS 3 5.789 2.409 -2.366
24 2HB CYS 3 2HB CYS 3 5.892 1.611 -0.795
25 H CYS 4 H CYS 4 3.523 -1.123 -2.015
26 HA CYS 4 HA CYS 4 2.269 -1.445 0.641
27 1HB CYS 4 1HB CYS 4 2.052 -2.880 -2.025
28 2HB CYS 4 2HB CYS 4 1.461 -3.544 -0.559
29 H ARG 5 H ARG 5 2.552 -3.137 1.719
30 HA ARG 5 HA ARG 5 5.127 -3.809 2.312
31 1HB ARG 5 1HB ARG 5 3.416 -3.529 3.968
32 2HB ARG 5 2HB ARG 5 2.315 -4.629 3.127
33 1HG ARG 5 1HG ARG 5 2.907 -5.719 5.061
34 2HG ARG 5 2HG ARG 5 3.738 -6.538 3.743
35 1HD ARG 5 1HD ARG 5 5.366 -6.234 5.571
36 2HD ARG 5 2HD ARG 5 5.809 -5.094 4.280
37 HE ARG 5 HE ARG 5 4.051 -3.764 6.042
38 1HH1 ARG 5 1HH1 ARG 5 7.354 -5.090 6.147
39 2HH1 ARG 5 2HH1 ARG 5 7.891 -3.941 7.349
40 1HH2 ARG 5 1HH2 ARG 5 4.791 -2.266 7.584
41 2HH2 ARG 5 2HH2 ARG 5 6.446 -2.332 8.148
42 H ASN 6 H ASN 6 2.975 -5.351 0.156
43 HA ASN 6 HA ASN 6 4.788 -6.753 -1.117
44 1HB ASN 6 1HB ASN 6 3.673 -9.188 -0.598
45 2HB ASN 6 2HB ASN 6 5.162 -8.621 0.125
46 1HD2 ASN 6 2HD2 ASN 6 1.818 -7.635 1.046
47 2HD2 ASN 6 1HD2 ASN 6 1.927 -8.269 2.677
48 H THR 7 H THR 7 3.828 -8.245 -2.624
49 HA THR 7 HA THR 7 1.932 -6.788 -4.253
50 HB THR 7 HB THR 7 3.063 -9.483 -4.462
51 HG1 THR 7 HG1 THR 7 4.363 -8.427 -6.038
52 1HG2 THR 7 1HG2 THR 7 2.296 -9.150 -6.887
53 2HG2 THR 7 2HG2 THR 7 0.972 -9.347 -5.712
54 3HG2 THR 7 3HG2 THR 7 1.404 -7.714 -6.296
55 H LEU 8 H LEU 8 1.797 -9.325 -1.850
56 HA LEU 8 HA LEU 8 -0.900 -10.162 -1.898
57 1HB LEU 8 1HB LEU 8 1.456 -10.482 -0.375
58 2HB LEU 8 2HB LEU 8 0.569 -9.564 0.694
59 HG LEU 8 HG LEU 8 -0.391 -12.242 -0.344
60 1HD1 LEU 8 1HD2 LEU 8 -0.041 -12.918 2.020
61 2HD1 LEU 8 2HD2 LEU 8 1.464 -12.305 1.315
62 3HD1 LEU 8 3HD2 LEU 8 0.518 -11.281 2.412
63 1HD2 LEU 8 1HD1 LEU 8 -2.230 -11.913 1.367
64 2HD2 LEU 8 2HD1 LEU 8 -1.695 -10.228 1.557
65 3HD2 LEU 8 3HD1 LEU 8 -2.342 -10.796 0.003
66 H ALA 9 H ALA 9 0.826 -7.561 -0.461
67 HA ALA 9 HA ALA 9 -1.450 -6.591 1.169
68 1HB ALA 9 1HB ALA 9 0.611 -6.170 2.102
69 2HB ALA 9 2HB ALA 9 1.177 -5.314 0.637
70 3HB ALA 9 3HB ALA 9 -0.094 -4.603 1.621
71 H ARG 10 H ARG 10 0.150 -5.664 -1.740
72 HA ARG 10 HA ARG 10 -1.261 -3.490 -2.756
73 1HB ARG 10 1HB ARG 10 0.956 -4.220 -3.388
74 2HB ARG 10 2HB ARG 10 0.312 -5.809 -3.745
75 1HG ARG 10 1HG ARG 10 0.950 -4.593 -5.784
76 2HG ARG 10 2HG ARG 10 -0.737 -5.125 -5.749
77 1HD ARG 10 1HD ARG 10 -0.527 -2.878 -6.502
78 2HD ARG 10 2HD ARG 10 -1.447 -2.993 -4.963
79 HE ARG 10 HE ARG 10 1.200 -2.417 -4.270
80 1HH1 ARG 10 1HH1 ARG 10 -1.459 -0.684 -5.864
81 2HH1 ARG 10 2HH1 ARG 10 -0.903 0.876 -5.301
82 1HH2 ARG 10 1HH2 ARG 10 1.938 -0.399 -3.636
83 2HH2 ARG 10 2HH2 ARG 10 1.024 1.040 -4.027
84 H ASN 11 H ASN 11 -1.762 -6.937 -2.889
85 HA ASN 11 HA ASN 11 -4.068 -6.809 -4.730
86 1HB ASN 11 1HB ASN 11 -3.058 -9.084 -2.987
87 2HB ASN 11 2HB ASN 11 -4.486 -9.185 -4.018
88 1HD2 ASN 11 2HD2 ASN 11 -2.405 -10.961 -4.370
89 2HD2 ASN 11 1HD2 ASN 11 -1.603 -10.629 -5.890
90 H CYS 12 H CYS 12 -3.800 -7.393 -1.190
91 HA CYS 12 HA CYS 12 -6.386 -7.031 -0.330
92 1HB CYS 12 1HB CYS 12 -4.702 -7.771 1.167
93 2HB CYS 12 2HB CYS 12 -3.703 -6.361 0.891
94 H TYR 13 H TYR 13 -3.979 -4.595 -1.021
95 HA TYR 13 HA TYR 13 -5.537 -2.332 -0.260
96 1HB TYR 13 1HB TYR 13 -3.147 -2.224 -0.301
97 2HB TYR 13 2HB TYR 13 -3.088 -2.650 -2.004
98 HD1 TYR 13 HD1 TYR 13 -3.585 -1.029 -3.787
99 HD2 TYR 13 HD2 TYR 13 -3.369 0.089 0.375
100 HE1 TYR 13 HE1 TYR 13 -3.264 1.344 -4.444
101 HE2 TYR 13 HE2 TYR 13 -3.015 2.456 -0.274
102 HH TYR 13 HH TYR 13 -2.813 3.958 -2.018
103 H ASN 14 H ASN 14 -4.985 -3.721 -3.479
104 HA ASN 14 HA ASN 14 -6.672 -1.878 -4.931
105 1HB ASN 14 1HB ASN 14 -5.679 -4.685 -5.610
106 2HB ASN 14 2HB ASN 14 -6.506 -3.617 -6.743
107 1HD2 ASN 14 2HD2 ASN 14 -3.739 -4.789 -6.850
108 2HD2 ASN 14 1HD2 ASN 14 -2.682 -3.405 -7.068
109 H ALA 15 H ALA 15 -7.127 -4.787 -3.122
110 HA ALA 15 HA ALA 15 -9.882 -5.281 -3.906
111 1HB ALA 15 1HB ALA 15 -9.871 -6.896 -2.043
112 2HB ALA 15 2HB ALA 15 -8.459 -7.137 -3.099
113 3HB ALA 15 3HB ALA 15 -8.286 -6.316 -1.528
114 H CYS 16 H CYS 16 -8.243 -3.571 -1.097
115 HA CYS 16 HA CYS 16 -10.747 -3.099 0.247
116 1HB CYS 16 1HB CYS 16 -8.999 -2.901 1.683
117 2HB CYS 16 2HB CYS 16 -7.892 -2.234 0.496
118 H ARG 17 H ARG 17 -8.917 -1.667 -2.369
119 HA ARG 17 HA ARG 17 -10.336 0.836 -2.543
120 1HB ARG 17 2HB ARG 17 -7.961 0.316 -3.429
121 2HB ARG 17 1HB ARG 17 -8.748 -0.588 -4.712
122 1HG ARG 17 1HG ARG 17 -8.274 1.416 -5.721
123 2HG ARG 17 2HG ARG 17 -9.961 1.668 -5.261
124 1HD ARG 17 1HD ARG 17 -7.475 2.622 -3.744
125 2HD ARG 17 2HD ARG 17 -8.457 3.632 -4.800
126 HE ARG 17 HE ARG 17 -9.173 2.486 -2.150
127 1HH1 ARG 17 1HH1 ARG 17 -10.129 4.741 -4.758
128 2HH1 ARG 17 2HH1 ARG 17 -11.556 5.265 -3.899
129 1HH2 ARG 17 1HH2 ARG 17 -11.048 3.182 -1.106
130 2HH2 ARG 17 2HH2 ARG 17 -12.060 4.414 -1.830
131 H PHE 18 H PHE 18 -10.726 -2.411 -3.921
132 HA PHE 18 HA PHE 18 -13.017 -1.919 -5.549
133 1HB PHE 18 1HB PHE 18 -11.510 -4.077 -5.271
134 2HB PHE 18 2HB PHE 18 -12.584 -4.502 -3.995
135 HD1 PHE 18 HD1 PHE 18 -14.996 -4.966 -4.355
136 HD2 PHE 18 HD2 PHE 18 -12.301 -4.142 -7.639
137 HE1 PHE 18 HE1 PHE 18 -16.650 -5.901 -5.956
138 HE2 PHE 18 HE2 PHE 18 -13.963 -5.083 -9.231
139 HZ PHE 18 HZ PHE 18 -16.144 -5.963 -8.394
140 H THR 19 H THR 19 -12.668 -3.146 -2.160
141 HA THR 19 HA THR 19 -15.375 -3.318 -1.615
142 HB THR 19 HB THR 19 -14.733 -3.772 0.593
143 HG1 THR 19 HG1 THR 19 -12.726 -3.332 1.414
144 1HG2 THR 19 1HG2 THR 19 -13.428 -5.109 -1.577
145 2HG2 THR 19 2HG2 THR 19 -12.333 -5.059 -0.179
146 3HG2 THR 19 3HG2 THR 19 -13.950 -5.742 -0.026
147 H GLY 20 H GLY 20 -14.155 -0.278 -2.091
148 1HA GLY 20 1HA GLY 20 -15.124 1.759 -1.614
149 2HA GLY 20 2HA GLY 20 -16.312 0.996 -0.548
150 H GLY 21 H GLY 21 -13.679 -0.375 0.674
151 1HA GLY 21 1HA GLY 21 -12.931 1.096 2.881
152 2HA GLY 21 2HA GLY 21 -12.022 -0.167 2.032
153 H SER 22 H SER 22 -12.099 3.006 2.737
154 HA SER 22 HA SER 22 -11.296 4.480 0.597
155 1HB SER 22 2HB SER 22 -10.765 5.042 3.424
156 2HB SER 22 1HB SER 22 -10.878 6.187 2.111
157 HG SER 22 HG SER 22 -13.073 5.541 1.846
158 H GLN 23 H GLN 23 -9.395 5.588 0.783
159 HA GLN 23 HA GLN 23 -7.133 3.973 -0.107
160 1HB GLN 23 1HB GLN 23 -7.020 6.992 0.291
161 2HB GLN 23 2HB GLN 23 -5.962 5.966 -0.676
162 1HG GLN 23 1HG GLN 23 -7.987 5.307 -2.046
163 2HG GLN 23 2HG GLN 23 -8.922 6.525 -1.163
164 1HE2 GLN 23 2HE2 GLN 23 -7.818 8.813 -1.128
165 2HE2 GLN 23 1HE2 GLN 23 -7.183 9.354 -2.666
166 HA PRO 24 HA PRO 24 -5.277 5.260 4.177
167 1HB PRO 24 1HB PRO 24 -7.997 5.679 5.568
168 2HB PRO 24 2HB PRO 24 -6.464 6.389 5.981
169 1HG PRO 24 1HG PRO 24 -8.344 7.831 4.631
170 2HG PRO 24 2HG PRO 24 -6.682 7.884 3.960
171 1HD PRO 24 2HD PRO 24 -8.857 5.879 3.303
172 2HD PRO 24 1HD PRO 24 -8.177 6.983 2.153
173 H THR 25 H THR 25 -8.496 3.941 4.398
174 HA THR 25 HA THR 25 -7.935 1.849 6.242
175 HB THR 25 HB THR 25 -9.897 2.075 4.086
176 HG1 THR 25 HG1 THR 25 -11.309 2.376 5.870
177 1HG2 THR 25 1HG2 THR 25 -11.097 0.084 5.238
178 2HG2 THR 25 2HG2 THR 25 -9.602 -0.364 4.436
179 3HG2 THR 25 3HG2 THR 25 -9.609 -0.115 6.188
180 H CYS 26 H CYS 26 -7.393 1.957 2.812
181 HA CYS 26 HA CYS 26 -6.578 -0.832 2.611
182 1HB CYS 26 1HB CYS 26 -5.871 1.437 0.674
183 2HB CYS 26 2HB CYS 26 -5.845 -0.290 0.363
184 H GLY 27 H GLY 27 -4.764 2.189 2.607
185 1HA GLY 27 1HA GLY 27 -2.258 0.932 2.935
186 2HA GLY 27 2HA GLY 27 -2.605 2.625 3.338
187 H ILE 28 H ILE 28 -4.758 1.395 5.301
188 HA ILE 28 HA ILE 28 -2.906 0.849 7.475
189 HB ILE 28 HB ILE 28 -5.931 1.035 7.348
190 1HG1 ILE 28 1HG1 ILE 28 -4.019 2.857 8.914
191 2HG1 ILE 28 2HG1 ILE 28 -4.295 3.173 7.206
192 1HG2 ILE 28 1HG2 ILE 28 -5.518 -0.505 9.079
193 2HG2 ILE 28 2HG2 ILE 28 -4.163 0.450 9.710
194 3HG2 ILE 28 3HG2 ILE 28 -5.846 1.030 9.861
195 1HD1 ILE 28 1HD1 ILE 28 -6.740 3.297 7.604
196 2HD1 ILE 28 2HD1 ILE 28 -6.459 3.104 9.342
197 3HD1 ILE 28 3HD1 ILE 28 -5.815 4.527 8.485
198 H LEU 29 H LEU 29 -5.632 -0.822 6.030
199 HA LEU 29 HA LEU 29 -5.421 -2.968 7.937
200 1HB LEU 29 1HB LEU 29 -6.921 -2.947 5.278
201 2HB LEU 29 2HB LEU 29 -7.022 -4.252 6.467
202 HG LEU 29 HG LEU 29 -7.800 -1.384 6.952
203 1HD1 LEU 29 1HD2 LEU 29 -10.160 -2.288 6.896
204 2HD1 LEU 29 2HD2 LEU 29 -9.317 -2.576 5.362
205 3HD1 LEU 29 3HD2 LEU 29 -9.513 -3.897 6.529
206 1HD2 LEU 29 1HD1 LEU 29 -7.185 -2.383 9.101
207 2HD2 LEU 29 2HD1 LEU 29 -8.942 -2.287 9.012
208 3HD2 LEU 29 3HD1 LEU 29 -8.132 -3.842 8.735
209 H CYS 30 H CYS 30 -4.552 -2.380 4.677
210 HA CYS 30 HA CYS 30 -3.071 -4.920 4.291
211 1HB CYS 30 1HB CYS 30 -3.126 -2.563 2.396
212 2HB CYS 30 2HB CYS 30 -2.736 -4.225 2.081
213 H ASP 31 H ASP 31 -2.309 -1.975 5.855
214 HA ASP 31 HA ASP 31 -0.359 -0.984 6.438
215 1HB ASP 31 1HB ASP 31 0.814 -3.757 5.916
216 2HB ASP 31 2HB ASP 31 1.591 -2.455 6.797
217 HD2 ASP 31 HD2 ASP 31 -1.167 -4.582 6.799
218 H CYS 32 H CYS 32 -1.082 -0.316 3.950
219 HA CYS 32 HA CYS 32 1.528 -0.068 2.409
220 1HB CYS 32 1HB CYS 32 -1.148 0.723 1.244
221 2HB CYS 32 2HB CYS 32 0.398 0.632 0.485
222 H ILE 33 H ILE 33 2.331 2.088 1.839
223 HA ILE 33 HA ILE 33 1.599 3.982 4.072
224 HB ILE 33 HB ILE 33 4.048 4.354 4.252
225 1HG1 ILE 33 1HG1 ILE 33 4.402 1.872 2.522
226 2HG1 ILE 33 2HG1 ILE 33 4.520 3.494 1.844
227 1HG2 ILE 33 1HG2 ILE 33 2.808 2.838 5.739
228 2HG2 ILE 33 2HG2 ILE 33 3.192 1.471 4.678
229 3HG2 ILE 33 3HG2 ILE 33 4.486 2.342 5.530
230 1HD1 ILE 33 1HD1 ILE 33 6.388 4.049 3.267
231 2HD1 ILE 33 2HD1 ILE 33 6.245 2.525 4.150
232 3HD1 ILE 33 3HD1 ILE 33 6.723 2.512 2.448
233 H HIS 34 H HIS 34 3.473 5.937 3.366
234 HA HIS 34 HA HIS 34 3.042 6.584 0.577
235 1HB HIS 34 1HB HIS 34 1.212 7.809 1.784
236 2HB HIS 34 2HB HIS 34 2.428 8.612 2.781
237 HD1 HIS 34 HD1 HIS 34 0.706 8.786 -0.514
238 HD2 HIS 34 HD2 HIS 34 4.198 10.362 1.271
239 HE1 HIS 34 HE1 HIS 34 1.495 10.733 -1.976
240 HE2 HIS 34 HE2 HIS 34 3.624 11.692 -0.909
241 H VAL 35 H VAL 35 4.939 6.805 -0.266
242 HA VAL 35 HA VAL 35 7.165 7.944 1.364
243 HB VAL 35 HB VAL 35 8.676 7.051 -0.147
244 1HG1 VAL 35 1HG1 VAL 35 8.780 4.870 0.596
245 2HG1 VAL 35 2HG1 VAL 35 8.148 5.873 1.898
246 3HG1 VAL 35 3HG1 VAL 35 7.039 4.819 0.939
247 1HG2 VAL 35 1HG2 VAL 35 7.695 6.620 -2.235
248 2HG2 VAL 35 2HG2 VAL 35 8.094 5.030 -1.557
249 3HG2 VAL 35 3HG2 VAL 35 6.425 5.584 -1.502
250 H THR 36 H THR 36 8.299 9.500 0.632
251 HA THR 36 HA THR 36 7.983 10.469 -2.136
252 HB THR 36 HB THR 36 8.703 12.726 -1.505
253 HG1 THR 36 HG1 THR 36 9.644 12.203 0.523
254 1HG2 THR 36 1HG2 THR 36 6.545 13.482 -0.655
255 2HG2 THR 36 2HG2 THR 36 6.304 12.145 -1.809
256 3HG2 THR 36 3HG2 THR 36 6.163 11.845 -0.059
257 H THR 37 H THR 37 9.229 8.230 -1.416
258 HA THR 37 HA THR 37 11.834 8.344 -0.639
259 HB THR 37 HB THR 37 11.984 6.152 -1.780
260 HG1 THR 37 HG1 THR 37 10.032 5.211 -2.065
261 1HG2 THR 37 1HG2 THR 37 10.958 5.038 0.118
262 2HG2 THR 37 2HG2 THR 37 12.171 6.254 0.496
263 3HG2 THR 37 3HG2 THR 37 10.489 6.637 0.757
264 H THR 38 H THR 38 13.226 7.397 -2.310
265 HA THR 38 HA THR 38 13.623 8.360 -5.033
266 HB THR 38 HB THR 38 15.021 6.279 -5.112
267 HG1 THR 38 HG1 THR 38 14.454 6.076 -2.362
268 1HG2 THR 38 1HG2 THR 38 15.684 8.142 -2.788
269 2HG2 THR 38 2HG2 THR 38 16.826 7.119 -3.679
270 3HG2 THR 38 3HG2 THR 38 16.019 8.465 -4.506
271 H THR 39 H THR 39 12.310 5.284 -3.495
272 HA THR 39 HA THR 39 10.370 4.587 -5.431
273 HB THR 39 HB THR 39 12.645 2.839 -5.012
274 HG1 THR 39 HG1 THR 39 12.775 4.833 -7.014
275 1HG2 THR 39 1HG2 THR 39 10.804 3.310 -7.359
276 2HG2 THR 39 2HG2 THR 39 12.140 2.126 -7.377
277 3HG2 THR 39 3HG2 THR 39 10.798 1.917 -6.240
278 H CYS 40 H CYS 40 9.791 2.418 -4.778
279 HA CYS 40 HA CYS 40 8.723 2.175 -2.274
280 1HB CYS 40 1HB CYS 40 9.527 0.161 -4.428
281 2HB CYS 40 2HB CYS 40 8.858 -0.451 -2.940
282 HA PRO 41 HA PRO 41 12.472 1.292 0.138
283 1HB PRO 41 1HB PRO 41 11.401 1.343 2.618
284 2HB PRO 41 2HB PRO 41 11.525 2.802 1.596
285 1HG PRO 41 1HG PRO 41 9.127 0.974 1.917
286 2HG PRO 41 2HG PRO 41 9.168 2.753 2.084
287 1HD PRO 41 1HD PRO 41 8.388 1.622 -0.234
288 2HD PRO 41 2HD PRO 41 9.424 3.063 -0.264
289 H SER 42 H SER 42 13.110 -0.111 1.869
290 HA SER 42 HA SER 42 12.938 -2.907 1.370
291 1HB SER 42 1HB SER 42 13.718 -1.286 3.839
292 2HB SER 42 2HB SER 42 13.990 -3.030 3.639
293 HG SER 42 HG SER 42 15.046 -0.976 1.980
294 H SER 43 H SER 43 11.017 -0.651 3.395
295 HA SER 43 HA SER 43 9.933 -2.792 5.095
296 1HB SER 43 2HB SER 43 10.439 -0.562 5.982
297 2HB SER 43 1HB SER 43 9.131 0.024 4.962
298 HG SER 43 HG SER 43 7.772 -1.527 6.069
299 H HIS 44 H HIS 44 9.221 -1.135 2.191
300 HA HIS 44 HA HIS 44 6.557 -2.510 1.790
301 1HB HIS 44 1HB HIS 44 6.951 0.460 1.579
302 2HB HIS 44 2HB HIS 44 5.552 -0.452 1.035
303 HD1 HIS 44 HD1 HIS 44 7.378 0.506 4.241
304 HD2 HIS 44 HD2 HIS 44 3.879 -1.438 2.974
305 HE1 HIS 44 HE1 HIS 44 6.008 0.017 6.333
306 HE2 HIS 44 HE2 HIS 44 3.844 -1.165 5.582
307 HA PRO 45 HA PRO 45 9.341 -2.705 -1.893
308 1HB PRO 45 1HB PRO 45 9.016 -5.323 -2.591
309 2HB PRO 45 2HB PRO 45 10.039 -4.799 -1.227
310 1HG PRO 45 1HG PRO 45 7.154 -5.733 -1.094
311 2HG PRO 45 2HG PRO 45 8.537 -6.334 -0.141
312 1HD PRO 45 1HD PRO 45 6.877 -4.439 0.847
313 2HD PRO 45 2HD PRO 45 8.626 -4.325 1.150
314 H SER 46 H SER 46 5.807 -3.696 -1.754
315 HA SER 46 HA SER 46 5.811 -4.127 -4.653
316 1HB SER 46 1HB SER 46 4.605 -5.680 -3.418
317 2HB SER 46 2HB SER 46 3.757 -4.466 -2.474
318 HG SER 46 HG SER 46 2.778 -3.831 -4.496
319 HXT SER 46 HO OH 47 6.215 -2.168 -5.537
Start of MODEL 11
1 1H LYS 1 1H LYS 1 1.883 8.784 -4.084
2 2H LYS 1 2H LYS 1 3.216 9.445 -3.372
3 3H LYS 1 3H LYS 1 3.119 9.358 -5.014
4 HA LYS 1 HA LYS 1 3.124 7.033 -4.971
5 1HB LYS 1 1HB LYS 1 5.335 8.710 -4.543
6 2HB LYS 1 2HB LYS 1 5.557 7.435 -3.356
7 1HG LYS 1 1HG LYS 1 5.206 7.041 -6.351
8 2HG LYS 1 2HG LYS 1 6.710 6.972 -5.426
9 1HD LYS 1 1HD LYS 1 5.668 5.062 -4.064
10 2HD LYS 1 2HD LYS 1 4.358 5.048 -5.242
11 1HE LYS 1 1HE LYS 1 5.868 3.384 -6.009
12 2HE LYS 1 2HE LYS 1 6.155 4.769 -7.069
13 1HZ LYS 1 1HZ LYS 1 7.771 4.036 -4.730
14 2HZ LYS 1 2HZ LYS 1 8.173 3.766 -6.302
15 3HZ LYS 1 3HZ LYS 1 8.074 5.306 -5.735
16 H SER 2 H SER 2 2.633 5.181 -3.914
17 HA SER 2 HA SER 2 2.509 4.961 -0.944
18 1HB SER 2 1HB SER 2 0.131 4.640 -2.835
19 2HB SER 2 2HB SER 2 0.162 4.141 -1.138
20 HG SER 2 HG SER 2 -0.750 6.207 -1.408
21 H CYS 3 H CYS 3 3.424 3.169 -0.401
22 HA CYS 3 HA CYS 3 3.811 1.020 -2.424
23 1HB CYS 3 1HB CYS 3 5.611 2.181 -0.296
24 2HB CYS 3 2HB CYS 3 5.980 0.738 -1.236
25 H CYS 4 H CYS 4 3.552 -1.171 -1.721
26 HA CYS 4 HA CYS 4 2.355 -1.618 0.932
27 1HB CYS 4 1HB CYS 4 2.080 -2.904 -1.793
28 2HB CYS 4 2HB CYS 4 1.412 -3.569 -0.347
29 H ARG 5 H ARG 5 2.855 -3.291 2.153
30 HA ARG 5 HA ARG 5 5.540 -4.010 1.799
31 1HB ARG 5 1HB ARG 5 5.564 -5.218 3.826
32 2HB ARG 5 2HB ARG 5 4.924 -3.572 3.949
33 1HG ARG 5 1HG ARG 5 2.590 -4.563 3.990
34 2HG ARG 5 2HG ARG 5 3.349 -6.179 4.031
35 1HD ARG 5 1HD ARG 5 4.724 -5.417 6.000
36 2HD ARG 5 2HD ARG 5 3.889 -3.859 5.953
37 HE ARG 5 HE ARG 5 1.904 -5.876 6.099
38 1HH1 ARG 5 1HH1 ARG 5 4.461 -4.559 8.213
39 2HH1 ARG 5 2HH1 ARG 5 3.603 -4.964 9.678
40 1HH2 ARG 5 1HH2 ARG 5 0.820 -6.363 8.039
41 2HH2 ARG 5 2HH2 ARG 5 1.539 -5.975 9.584
42 H ASN 6 H ASN 6 3.088 -5.347 0.219
43 HA ASN 6 HA ASN 6 4.800 -6.708 -1.186
44 1HB ASN 6 1HB ASN 6 3.937 -9.155 -0.968
45 2HB ASN 6 2HB ASN 6 5.078 -8.582 0.219
46 1HD2 ASN 6 2HD2 ASN 6 4.137 -10.544 1.232
47 2HD2 ASN 6 1HD2 ASN 6 2.756 -10.314 2.302
48 H THR 7 H THR 7 3.785 -8.190 -2.660
49 HA THR 7 HA THR 7 2.019 -6.587 -4.340
50 HB THR 7 HB THR 7 3.118 -9.286 -4.617
51 HG1 THR 7 HG1 THR 7 4.471 -8.178 -6.123
52 1HG2 THR 7 1HG2 THR 7 2.430 -8.859 -7.054
53 2HG2 THR 7 2HG2 THR 7 1.070 -9.076 -5.925
54 3HG2 THR 7 3HG2 THR 7 1.536 -7.429 -6.447
55 H LEU 8 H LEU 8 1.786 -9.231 -2.038
56 HA LEU 8 HA LEU 8 -0.904 -10.052 -2.251
57 1HB LEU 8 1HB LEU 8 1.386 -10.479 -0.653
58 2HB LEU 8 2HB LEU 8 0.421 -9.638 0.440
59 HG LEU 8 HG LEU 8 -0.460 -12.228 -0.858
60 1HD1 LEU 8 1HD2 LEU 8 -0.241 -13.076 1.472
61 2HD1 LEU 8 2HD2 LEU 8 1.306 -12.431 0.892
62 3HD1 LEU 8 3HD2 LEU 8 0.308 -11.480 2.012
63 1HD2 LEU 8 1HD1 LEU 8 -1.866 -10.372 1.135
64 2HD2 LEU 8 2HD1 LEU 8 -2.431 -10.807 -0.491
65 3HD2 LEU 8 3HD1 LEU 8 -2.386 -12.028 0.782
66 H ALA 9 H ALA 9 0.818 -7.556 -0.619
67 HA ALA 9 HA ALA 9 -1.539 -6.641 0.928
68 1HB ALA 9 1HB ALA 9 0.451 -6.362 2.047
69 2HB ALA 9 2HB ALA 9 1.196 -5.481 0.672
70 3HB ALA 9 3HB ALA 9 -0.110 -4.726 1.604
71 H ARG 10 H ARG 10 0.262 -5.438 -1.758
72 HA ARG 10 HA ARG 10 -1.177 -3.308 -2.766
73 1HB ARG 10 1HB ARG 10 1.049 -4.013 -3.390
74 2HB ARG 10 2HB ARG 10 0.417 -5.599 -3.782
75 1HG ARG 10 1HG ARG 10 1.095 -4.316 -5.782
76 2HG ARG 10 2HG ARG 10 -0.575 -4.902 -5.800
77 1HD ARG 10 1HD ARG 10 -0.374 -2.615 -6.508
78 2HD ARG 10 2HD ARG 10 -1.403 -2.834 -5.046
79 HE ARG 10 HE ARG 10 1.176 -2.151 -4.163
80 1HH1 ARG 10 1HH1 ARG 10 -1.544 -0.548 -5.811
81 2HH1 ARG 10 2HH1 ARG 10 -1.175 1.007 -5.107
82 1HH2 ARG 10 1HH2 ARG 10 1.626 -0.131 -3.287
83 2HH2 ARG 10 2HH2 ARG 10 0.645 1.256 -3.698
84 H ASN 11 H ASN 11 -1.700 -6.761 -3.050
85 HA ASN 11 HA ASN 11 -3.974 -6.483 -4.899
86 1HB ASN 11 1HB ASN 11 -3.015 -8.885 -3.303
87 2HB ASN 11 2HB ASN 11 -4.423 -8.902 -4.363
88 1HD2 ASN 11 2HD2 ASN 11 -2.387 -10.678 -4.826
89 2HD2 ASN 11 1HD2 ASN 11 -1.557 -10.238 -6.305
90 H CYS 12 H CYS 12 -3.778 -7.254 -1.408
91 HA CYS 12 HA CYS 12 -6.371 -6.902 -0.545
92 1HB CYS 12 1HB CYS 12 -4.730 -7.716 0.945
93 2HB CYS 12 2HB CYS 12 -3.679 -6.346 0.693
94 H TYR 13 H TYR 13 -3.938 -4.461 -1.129
95 HA TYR 13 HA TYR 13 -5.554 -2.225 -0.301
96 1HB TYR 13 1HB TYR 13 -3.132 -2.148 -0.240
97 2HB TYR 13 2HB TYR 13 -3.017 -2.441 -1.966
98 HD1 TYR 13 HD1 TYR 13 -3.537 -0.673 -3.634
99 HD2 TYR 13 HD2 TYR 13 -3.355 0.103 0.615
100 HE1 TYR 13 HE1 TYR 13 -3.191 1.738 -4.086
101 HE2 TYR 13 HE2 TYR 13 -2.999 2.512 0.163
102 HH TYR 13 HH TYR 13 -2.734 4.144 -1.453
103 H ASN 14 H ASN 14 -4.930 -3.532 -3.515
104 HA ASN 14 HA ASN 14 -6.521 -1.602 -4.969
105 1HB ASN 14 1HB ASN 14 -5.623 -4.430 -5.682
106 2HB ASN 14 2HB ASN 14 -6.384 -3.301 -6.803
107 1HD2 ASN 14 2HD2 ASN 14 -3.676 -4.593 -6.918
108 2HD2 ASN 14 1HD2 ASN 14 -2.554 -3.258 -7.072
109 H ALA 15 H ALA 15 -7.052 -4.549 -3.240
110 HA ALA 15 HA ALA 15 -9.785 -5.010 -4.050
111 1HB ALA 15 1HB ALA 15 -8.389 -6.878 -3.339
112 2HB ALA 15 2HB ALA 15 -8.226 -6.156 -1.719
113 3HB ALA 15 3HB ALA 15 -9.807 -6.701 -2.280
114 H CYS 16 H CYS 16 -8.206 -3.391 -1.147
115 HA CYS 16 HA CYS 16 -10.769 -3.001 0.153
116 1HB CYS 16 1HB CYS 16 -9.126 -2.910 1.708
117 2HB CYS 16 2HB CYS 16 -7.911 -2.250 0.628
118 H ARG 17 H ARG 17 -8.943 -1.436 -2.392
119 HA ARG 17 HA ARG 17 -10.639 0.969 -2.353
120 1HB ARG 17 2HB ARG 17 -8.091 0.912 -2.871
121 2HB ARG 17 1HB ARG 17 -8.565 0.253 -4.416
122 1HG ARG 17 1HG ARG 17 -8.334 2.483 -4.901
123 2HG ARG 17 2HG ARG 17 -10.069 2.417 -4.589
124 1HD ARG 17 1HD ARG 17 -7.871 3.294 -2.640
125 2HD ARG 17 2HD ARG 17 -8.961 4.381 -3.486
126 HE ARG 17 HE ARG 17 -9.560 2.576 -1.225
127 1HH1 ARG 17 1HH1 ARG 17 -10.975 4.860 -3.576
128 2HH1 ARG 17 2HH1 ARG 17 -12.476 4.974 -2.687
129 1HH2 ARG 17 1HH2 ARG 17 -11.498 2.795 -0.101
130 2HH2 ARG 17 2HH2 ARG 17 -12.771 3.813 -0.726
131 H PHE 18 H PHE 18 -10.581 -2.191 -3.888
132 HA PHE 18 HA PHE 18 -12.611 -1.734 -5.874
133 1HB PHE 18 1HB PHE 18 -11.138 -3.884 -5.439
134 2HB PHE 18 2HB PHE 18 -12.323 -4.313 -4.269
135 HD1 PHE 18 HD1 PHE 18 -11.719 -3.957 -7.876
136 HD2 PHE 18 HD2 PHE 18 -14.662 -4.851 -4.837
137 HE1 PHE 18 HE1 PHE 18 -13.203 -4.962 -9.601
138 HE2 PHE 18 HE2 PHE 18 -16.153 -5.820 -6.563
139 HZ PHE 18 HZ PHE 18 -15.430 -5.882 -8.949
140 H THR 19 H THR 19 -12.646 -3.029 -2.501
141 HA THR 19 HA THR 19 -15.413 -3.010 -2.023
142 HB THR 19 HB THR 19 -14.820 -3.400 0.202
143 HG1 THR 19 HG1 THR 19 -12.453 -2.153 -0.376
144 1HG2 THR 19 1HG2 THR 19 -13.397 -4.861 -1.898
145 2HG2 THR 19 2HG2 THR 19 -12.513 -4.867 -0.365
146 3HG2 THR 19 3HG2 THR 19 -14.185 -5.441 -0.457
147 H GLY 20 H GLY 20 -13.241 -0.318 -2.101
148 1HA GLY 20 1HA GLY 20 -13.645 1.891 -1.979
149 2HA GLY 20 2HA GLY 20 -15.385 1.573 -2.078
150 H GLY 21 H GLY 21 -13.711 -0.136 0.478
151 1HA GLY 21 1HA GLY 21 -14.686 0.995 2.754
152 2HA GLY 21 2HA GLY 21 -13.018 0.421 2.605
153 H SER 22 H SER 22 -11.229 2.095 2.638
154 HA SER 22 HA SER 22 -11.655 4.638 1.555
155 1HB SER 22 2HB SER 22 -10.429 4.298 4.216
156 2HB SER 22 1HB SER 22 -10.948 5.690 3.335
157 HG SER 22 HG SER 22 -13.136 4.990 3.702
158 H GLN 23 H GLN 23 -9.526 5.546 1.291
159 HA GLN 23 HA GLN 23 -7.572 3.615 0.332
160 1HB GLN 23 1HB GLN 23 -8.026 5.679 -0.910
161 2HB GLN 23 2HB GLN 23 -7.296 6.639 0.384
162 1HG GLN 23 1HG GLN 23 -5.142 5.451 0.071
163 2HG GLN 23 2HG GLN 23 -5.887 4.422 -1.166
164 1HE2 GLN 23 2HE2 GLN 23 -3.892 5.340 -2.335
165 2HE2 GLN 23 1HE2 GLN 23 -4.124 6.835 -3.222
166 HA PRO 24 HA PRO 24 -5.263 5.096 4.407
167 1HB PRO 24 1HB PRO 24 -7.934 5.590 5.869
168 2HB PRO 24 2HB PRO 24 -6.349 6.204 6.286
169 1HG PRO 24 1HG PRO 24 -8.097 7.799 4.960
170 2HG PRO 24 2HG PRO 24 -6.443 7.691 4.264
171 1HD PRO 24 1HD PRO 24 -8.850 5.973 3.591
172 2HD PRO 24 2HD PRO 24 -7.940 6.953 2.446
173 H THR 25 H THR 25 -8.454 3.807 4.800
174 HA THR 25 HA THR 25 -7.921 1.597 6.488
175 HB THR 25 HB THR 25 -9.900 2.011 4.381
176 HG1 THR 25 HG1 THR 25 -10.124 1.742 7.174
177 1HG2 THR 25 1HG2 THR 25 -11.098 -0.094 5.140
178 2HG2 THR 25 2HG2 THR 25 -9.563 -0.457 4.369
179 3HG2 THR 25 3HG2 THR 25 -9.658 -0.464 6.129
180 H CYS 26 H CYS 26 -7.422 1.868 3.051
181 HA CYS 26 HA CYS 26 -6.574 -0.903 2.734
182 1HB CYS 26 1HB CYS 26 -5.842 1.430 0.887
183 2HB CYS 26 2HB CYS 26 -5.832 -0.283 0.520
184 H GLY 27 H GLY 27 -4.765 2.105 2.770
185 1HA GLY 27 1HA GLY 27 -2.227 0.958 3.115
186 2HA GLY 27 2HA GLY 27 -2.654 2.609 3.576
187 H ILE 28 H ILE 28 -4.753 1.198 5.491
188 HA ILE 28 HA ILE 28 -2.861 0.600 7.633
189 HB ILE 28 HB ILE 28 -5.886 0.771 7.553
190 1HG1 ILE 28 1HG1 ILE 28 -3.988 2.556 9.183
191 2HG1 ILE 28 2HG1 ILE 28 -4.253 2.925 7.485
192 1HG2 ILE 28 1HG2 ILE 28 -5.461 -0.825 9.225
193 2HG2 ILE 28 2HG2 ILE 28 -4.122 0.134 9.895
194 3HG2 ILE 28 3HG2 ILE 28 -5.818 0.676 10.055
195 1HD1 ILE 28 1HD1 ILE 28 -6.421 2.779 9.603
196 2HD1 ILE 28 2HD1 ILE 28 -5.796 4.228 8.786
197 3HD1 ILE 28 3HD1 ILE 28 -6.703 3.012 7.867
198 H LEU 29 H LEU 29 -5.580 -1.026 6.127
199 HA LEU 29 HA LEU 29 -5.366 -3.264 7.912
200 1HB LEU 29 1HB LEU 29 -6.810 -3.105 5.224
201 2HB LEU 29 2HB LEU 29 -6.903 -4.501 6.299
202 HG LEU 29 HG LEU 29 -7.775 -1.700 6.985
203 1HD1 LEU 29 1HD1 LEU 29 -9.227 -2.803 5.279
204 2HD1 LEU 29 2HD1 LEU 29 -9.398 -4.221 6.339
205 3HD1 LEU 29 3HD1 LEU 29 -10.097 -2.664 6.820
206 1HD2 LEU 29 1HD2 LEU 29 -8.075 -4.288 8.579
207 2HD2 LEU 29 2HD2 LEU 29 -7.167 -2.841 9.067
208 3HD2 LEU 29 3HD2 LEU 29 -8.921 -2.778 8.957
209 H CYS 30 H CYS 30 -4.535 -2.569 4.663
210 HA CYS 30 HA CYS 30 -2.890 -4.980 4.192
211 1HB CYS 30 1HB CYS 30 -2.970 -2.527 2.440
212 2HB CYS 30 2HB CYS 30 -2.552 -4.170 2.023
213 H ASP 31 H ASP 31 -2.268 -2.117 5.948
214 HA ASP 31 HA ASP 31 -0.454 -1.081 6.665
215 1HB ASP 31 1HB ASP 31 0.100 -3.667 7.049
216 2HB ASP 31 2HB ASP 31 1.350 -3.367 5.857
217 HD2 ASP 31 HD2 ASP 31 3.326 -1.460 8.062
218 H CYS 32 H CYS 32 -1.129 -0.441 4.021
219 HA CYS 32 HA CYS 32 1.516 -0.141 2.559
220 1HB CYS 32 1HB CYS 32 -1.136 0.751 1.413
221 2HB CYS 32 2HB CYS 32 0.411 0.639 0.650
222 H ILE 33 H ILE 33 2.306 2.054 1.919
223 HA ILE 33 HA ILE 33 1.652 4.008 4.112
224 HB ILE 33 HB ILE 33 4.103 4.417 4.194
225 1HG1 ILE 33 1HG1 ILE 33 4.432 1.844 2.622
226 2HG1 ILE 33 2HG1 ILE 33 4.502 3.416 1.822
227 1HG2 ILE 33 1HG2 ILE 33 2.944 2.979 5.809
228 2HG2 ILE 33 2HG2 ILE 33 3.268 1.566 4.795
229 3HG2 ILE 33 3HG2 ILE 33 4.610 2.454 5.539
230 1HD1 ILE 33 1HD1 ILE 33 6.411 4.088 3.164
231 2HD1 ILE 33 2HD1 ILE 33 6.330 2.602 4.118
232 3HD1 ILE 33 3HD1 ILE 33 6.738 2.521 2.398
233 H HIS 34 H HIS 34 3.485 5.942 3.250
234 HA HIS 34 HA HIS 34 2.936 6.494 0.468
235 1HB HIS 34 1HB HIS 34 1.082 7.676 1.671
236 2HB HIS 34 2HB HIS 34 2.271 8.556 2.627
237 HD1 HIS 34 HD1 HIS 34 0.430 8.633 -0.584
238 HD2 HIS 34 HD2 HIS 34 3.991 10.291 0.977
239 HE1 HIS 34 HE1 HIS 34 1.130 10.541 -2.134
240 HE2 HIS 34 HE2 HIS 34 3.297 11.546 -1.206
241 H VAL 35 H VAL 35 4.794 6.862 -0.437
242 HA VAL 35 HA VAL 35 7.030 7.987 1.193
243 HB VAL 35 HB VAL 35 8.527 7.094 -0.309
244 1HG1 VAL 35 1HG1 VAL 35 6.966 4.860 0.803
245 2HG1 VAL 35 2HG1 VAL 35 8.695 4.910 0.376
246 3HG1 VAL 35 3HG1 VAL 35 8.112 5.939 1.691
247 1HG2 VAL 35 1HG2 VAL 35 7.495 6.725 -2.413
248 2HG2 VAL 35 2HG2 VAL 35 8.103 5.189 -1.812
249 3HG2 VAL 35 3HG2 VAL 35 6.369 5.525 -1.687
250 H THR 36 H THR 36 8.165 9.542 0.471
251 HA THR 36 HA THR 36 7.925 10.436 -2.334
252 HB THR 36 HB THR 36 8.748 12.661 -1.726
253 HG1 THR 36 HG1 THR 36 8.662 13.289 0.472
254 1HG2 THR 36 1HG2 THR 36 6.299 12.192 -1.980
255 2HG2 THR 36 2HG2 THR 36 6.176 11.931 -0.235
256 3HG2 THR 36 3HG2 THR 36 6.620 13.532 -0.861
257 H THR 37 H THR 37 9.003 8.182 -1.638
258 HA THR 37 HA THR 37 11.778 8.294 -1.094
259 HB THR 37 HB THR 37 10.359 5.926 -1.803
260 HG1 THR 37 HG1 THR 37 11.300 7.025 0.685
261 1HG2 THR 37 1HG2 THR 37 12.257 4.830 -0.514
262 2HG2 THR 37 2HG2 THR 37 12.663 5.366 -2.119
263 3HG2 THR 37 3HG2 THR 37 13.144 6.349 -0.717
264 H THR 38 H THR 38 12.832 7.048 -2.788
265 HA THR 38 HA THR 38 12.860 8.107 -5.541
266 HB THR 38 HB THR 38 14.448 5.893 -4.446
267 HG1 THR 38 HG1 THR 38 16.069 7.501 -4.254
268 1HG2 THR 38 1HG2 THR 38 16.000 6.376 -6.334
269 2HG2 THR 38 2HG2 THR 38 14.407 5.897 -6.938
270 3HG2 THR 38 3HG2 THR 38 14.868 7.611 -6.931
271 H THR 39 H THR 39 12.010 4.971 -3.912
272 HA THR 39 HA THR 39 10.288 3.963 -5.970
273 HB THR 39 HB THR 39 12.433 2.319 -4.925
274 HG1 THR 39 HG1 THR 39 13.698 4.000 -5.729
275 1HG2 THR 39 1HG2 THR 39 11.098 2.469 -7.638
276 2HG2 THR 39 2HG2 THR 39 12.316 1.252 -7.181
277 3HG2 THR 39 3HG2 THR 39 10.750 1.283 -6.356
278 H CYS 40 H CYS 40 9.600 1.908 -5.042
279 HA CYS 40 HA CYS 40 8.576 2.268 -2.434
280 1HB CYS 40 1HB CYS 40 8.369 -0.049 -4.383
281 2HB CYS 40 2HB CYS 40 7.679 -0.142 -2.769
282 HA PRO 41 HA PRO 41 12.281 1.190 -0.413
283 1HB PRO 41 1HB PRO 41 11.523 1.470 2.186
284 2HB PRO 41 2HB PRO 41 11.535 2.826 1.039
285 1HG PRO 41 1HG PRO 41 9.157 1.083 1.767
286 2HG PRO 41 2HG PRO 41 9.264 2.865 1.815
287 1HD PRO 41 1HD PRO 41 8.226 1.690 -0.383
288 2HD PRO 41 2HD PRO 41 9.382 3.034 -0.541
289 H SER 42 H SER 42 13.185 -0.030 1.336
290 HA SER 42 HA SER 42 12.969 -2.846 1.220
291 1HB SER 42 1HB SER 42 13.986 -0.950 3.374
292 2HB SER 42 2HB SER 42 14.276 -2.704 3.362
293 HG SER 42 HG SER 42 16.009 -1.496 2.441
294 H SER 43 H SER 43 11.290 -0.374 3.199
295 HA SER 43 HA SER 43 10.334 -2.293 5.186
296 1HB SER 43 2HB SER 43 10.793 0.078 5.725
297 2HB SER 43 1HB SER 43 9.329 0.437 4.806
298 HG SER 43 HG SER 43 9.486 -1.289 7.031
299 H HIS 44 H HIS 44 9.362 -1.034 2.148
300 HA HIS 44 HA HIS 44 6.824 -2.606 2.147
301 1HB HIS 44 1HB HIS 44 6.897 0.369 1.628
302 2HB HIS 44 2HB HIS 44 5.551 -0.692 1.241
303 HD1 HIS 44 HD1 HIS 44 7.519 0.528 4.249
304 HD2 HIS 44 HD2 HIS 44 3.892 -1.375 3.293
305 HE1 HIS 44 HE1 HIS 44 6.306 0.179 6.433
306 HE2 HIS 44 HE2 HIS 44 4.020 -0.936 5.876
307 HA PRO 45 HA PRO 45 9.509 -2.756 -1.657
308 1HB PRO 45 1HB PRO 45 9.127 -5.407 -2.404
309 2HB PRO 45 2HB PRO 45 10.301 -4.819 -1.207
310 1HG PRO 45 1HG PRO 45 7.504 -5.851 -0.677
311 2HG PRO 45 2HG PRO 45 9.027 -6.364 0.110
312 1HD PRO 45 1HD PRO 45 7.497 -4.581 1.341
313 2HD PRO 45 2HD PRO 45 9.234 -4.239 1.238
314 H SER 46 H SER 46 5.965 -3.626 -1.672
315 HA SER 46 HA SER 46 6.033 -3.965 -4.578
316 1HB SER 46 1HB SER 46 4.692 -5.498 -3.447
317 2HB SER 46 2HB SER 46 3.924 -4.297 -2.438
318 HG SER 46 HG SER 46 2.971 -3.483 -4.394
319 HXT SER 46 HO OH 47 3.496 -2.250 -3.003
Start of MODEL 12
1 1H LYS 1 1H LYS 1 3.000 9.287 -3.116
2 2H LYS 1 2H LYS 1 2.740 9.373 -4.746
3 3H LYS 1 3H LYS 1 1.559 8.799 -3.746
4 HA LYS 1 HA LYS 1 2.601 7.049 -4.920
5 1HB LYS 1 1HB LYS 1 4.897 8.497 -4.700
6 2HB LYS 1 2HB LYS 1 5.166 7.333 -3.409
7 1HG LYS 1 1HG LYS 1 4.655 6.707 -6.341
8 2HG LYS 1 2HG LYS 1 6.192 6.672 -5.475
9 1HD LYS 1 1HD LYS 1 4.995 4.894 -3.915
10 2HD LYS 1 2HD LYS 1 3.852 4.762 -5.261
11 1HE LYS 1 1HE LYS 1 5.516 3.057 -5.586
12 2HE LYS 1 2HE LYS 1 5.858 4.316 -6.787
13 1HZ LYS 1 1HZ LYS 1 7.803 3.542 -5.692
14 2HZ LYS 1 2HZ LYS 1 7.558 5.134 -5.331
15 3HZ LYS 1 3HZ LYS 1 7.222 3.969 -4.212
16 H SER 2 H SER 2 2.204 5.106 -4.044
17 HA SER 2 HA SER 2 2.167 4.637 -1.083
18 1HB SER 2 1HB SER 2 0.083 3.404 -1.371
19 2HB SER 2 2HB SER 2 -0.134 5.108 -1.804
20 HG SER 2 HG SER 2 0.335 2.975 -3.627
21 H CYS 3 H CYS 3 3.137 2.755 -0.511
22 HA CYS 3 HA CYS 3 3.567 0.734 -2.595
23 1HB CYS 3 1HB CYS 3 5.563 2.279 -2.532
24 2HB CYS 3 2HB CYS 3 5.925 1.591 -0.939
25 H CYS 4 H CYS 4 3.680 -1.440 -1.797
26 HA CYS 4 HA CYS 4 2.659 -1.783 0.954
27 1HB CYS 4 1HB CYS 4 2.217 -3.132 -1.712
28 2HB CYS 4 2HB CYS 4 1.682 -3.810 -0.223
29 H ARG 5 H ARG 5 3.123 -3.542 2.168
30 HA ARG 5 HA ARG 5 5.817 -4.236 1.802
31 1HB ARG 5 1HB ARG 5 5.837 -5.325 3.889
32 2HB ARG 5 2HB ARG 5 5.213 -3.673 3.913
33 1HG ARG 5 1HG ARG 5 2.844 -4.718 3.951
34 2HG ARG 5 2HG ARG 5 3.660 -6.275 4.222
35 1HD ARG 5 1HD ARG 5 4.992 -5.106 6.080
36 2HD ARG 5 2HD ARG 5 3.957 -3.695 5.847
37 HE ARG 5 HE ARG 5 2.276 -5.957 6.241
38 1HH1 ARG 5 1HH1 ARG 5 4.574 -4.019 8.152
39 2HH1 ARG 5 2HH1 ARG 5 3.804 -4.397 9.676
40 1HH2 ARG 5 1HH2 ARG 5 1.302 -6.438 8.245
41 2HH2 ARG 5 2HH2 ARG 5 1.946 -5.776 9.728
42 H ASN 6 H ASN 6 3.194 -5.626 0.394
43 HA ASN 6 HA ASN 6 4.844 -7.070 -0.987
44 1HB ASN 6 1HB ASN 6 3.536 -9.463 -0.562
45 2HB ASN 6 2HB ASN 6 5.093 -9.062 0.136
46 1HD2 ASN 6 2HD2 ASN 6 1.763 -7.995 1.095
47 2HD2 ASN 6 1HD2 ASN 6 1.874 -8.630 2.716
48 H THR 7 H THR 7 3.819 -8.454 -2.529
49 HA THR 7 HA THR 7 2.029 -6.858 -4.154
50 HB THR 7 HB THR 7 3.092 -9.567 -4.448
51 HG1 THR 7 HG1 THR 7 3.837 -7.052 -5.525
52 1HG2 THR 7 1HG2 THR 7 2.416 -9.110 -6.866
53 2HG2 THR 7 2HG2 THR 7 1.049 -9.309 -5.745
54 3HG2 THR 7 3HG2 THR 7 1.545 -7.671 -6.256
55 H LEU 8 H LEU 8 1.747 -9.474 -1.855
56 HA LEU 8 HA LEU 8 -0.982 -10.205 -2.023
57 1HB LEU 8 1HB LEU 8 1.310 -10.694 -0.447
58 2HB LEU 8 2HB LEU 8 0.414 -9.789 0.636
59 HG LEU 8 HG LEU 8 -0.615 -12.354 -0.615
60 1HD1 LEU 8 1HD2 LEU 8 -0.379 -13.218 1.702
61 2HD1 LEU 8 2HD2 LEU 8 1.184 -12.639 1.087
62 3HD1 LEU 8 3HD2 LEU 8 0.254 -11.648 2.233
63 1HD2 LEU 8 1HD1 LEU 8 -2.518 -10.858 -0.212
64 2HD2 LEU 8 2HD1 LEU 8 -2.489 -12.079 1.065
65 3HD2 LEU 8 3HD1 LEU 8 -1.902 -10.441 1.402
66 H ALA 9 H ALA 9 0.827 -7.754 -0.425
67 HA ALA 9 HA ALA 9 -1.486 -6.738 1.129
68 1HB ALA 9 1HB ALA 9 1.287 -5.673 0.849
69 2HB ALA 9 2HB ALA 9 0.009 -4.877 1.788
70 3HB ALA 9 3HB ALA 9 0.536 -6.533 2.219
71 H ARG 10 H ARG 10 0.352 -5.616 -1.572
72 HA ARG 10 HA ARG 10 -1.023 -3.457 -2.604
73 1HB ARG 10 1HB ARG 10 1.177 -4.257 -3.223
74 2HB ARG 10 2HB ARG 10 0.466 -5.808 -3.620
75 1HG ARG 10 1HG ARG 10 1.214 -4.521 -5.606
76 2HG ARG 10 2HG ARG 10 -0.471 -5.066 -5.639
77 1HD ARG 10 1HD ARG 10 -0.211 -2.784 -6.332
78 2HD ARG 10 2HD ARG 10 -1.249 -2.986 -4.870
79 HE ARG 10 HE ARG 10 1.307 -2.347 -3.944
80 1HH1 ARG 10 1HH1 ARG 10 -1.289 -0.697 -5.733
81 2HH1 ARG 10 2HH1 ARG 10 -0.894 0.866 -5.058
82 1HH2 ARG 10 1HH2 ARG 10 1.774 -0.331 -3.079
83 2HH2 ARG 10 2HH2 ARG 10 0.862 1.081 -3.566
84 H ASN 11 H ASN 11 -1.661 -6.896 -2.868
85 HA ASN 11 HA ASN 11 -3.888 -6.559 -4.770
86 1HB ASN 11 1HB ASN 11 -3.047 -8.974 -3.128
87 2HB ASN 11 2HB ASN 11 -4.453 -8.951 -4.197
88 1HD2 ASN 11 2HD2 ASN 11 -2.491 -10.822 -4.635
89 2HD2 ASN 11 1HD2 ASN 11 -1.645 -10.430 -6.120
90 H CYS 12 H CYS 12 -3.814 -7.309 -1.276
91 HA CYS 12 HA CYS 12 -6.402 -6.824 -0.494
92 1HB CYS 12 1HB CYS 12 -4.790 -7.721 1.020
93 2HB CYS 12 2HB CYS 12 -3.751 -6.317 0.877
94 H TYR 13 H TYR 13 -3.812 -4.509 -0.934
95 HA TYR 13 HA TYR 13 -5.294 -2.185 -0.188
96 1HB TYR 13 1HB TYR 13 -2.858 -2.210 -0.193
97 2HB TYR 13 2HB TYR 13 -2.826 -2.493 -1.928
98 HD1 TYR 13 HD1 TYR 13 -3.118 -0.674 -3.538
99 HD2 TYR 13 HD2 TYR 13 -3.264 0.017 0.709
100 HE1 TYR 13 HE1 TYR 13 -2.870 1.762 -3.934
101 HE2 TYR 13 HE2 TYR 13 -3.027 2.464 0.329
102 HH TYR 13 HH TYR 13 -2.741 3.874 -2.957
103 H ASN 14 H ASN 14 -4.801 -3.573 -3.402
104 HA ASN 14 HA ASN 14 -6.286 -1.553 -4.852
105 1HB ASN 14 1HB ASN 14 -5.500 -4.399 -5.609
106 2HB ASN 14 2HB ASN 14 -6.164 -3.198 -6.725
107 1HD2 ASN 14 2HD2 ASN 14 -3.544 -4.620 -6.852
108 2HD2 ASN 14 1HD2 ASN 14 -2.338 -3.355 -6.902
109 H ALA 15 H ALA 15 -6.961 -4.513 -3.202
110 HA ALA 15 HA ALA 15 -9.704 -4.838 -4.086
111 1HB ALA 15 1HB ALA 15 -8.375 -6.775 -3.331
112 2HB ALA 15 2HB ALA 15 -8.241 -6.041 -1.706
113 3HB ALA 15 3HB ALA 15 -9.825 -6.541 -2.320
114 H CYS 16 H CYS 16 -8.143 -3.303 -1.131
115 HA CYS 16 HA CYS 16 -10.723 -2.822 0.073
116 1HB CYS 16 1HB CYS 16 -9.083 -2.813 1.648
117 2HB CYS 16 2HB CYS 16 -7.866 -2.086 0.607
118 H ARG 17 H ARG 17 -8.627 -1.357 -2.339
119 HA ARG 17 HA ARG 17 -10.011 1.181 -2.447
120 1HB ARG 17 2HB ARG 17 -7.603 0.831 -3.159
121 2HB ARG 17 1HB ARG 17 -8.211 -0.074 -4.531
122 1HG ARG 17 1HG ARG 17 -7.794 1.978 -5.473
123 2HG ARG 17 2HG ARG 17 -9.514 2.126 -5.140
124 1HD ARG 17 1HD ARG 17 -7.196 3.213 -3.458
125 2HD ARG 17 2HD ARG 17 -8.252 4.172 -4.497
126 HE ARG 17 HE ARG 17 -8.866 2.910 -1.895
127 1HH1 ARG 17 1HH1 ARG 17 -10.226 4.755 -4.628
128 2HH1 ARG 17 2HH1 ARG 17 -11.758 4.993 -3.827
129 1HH2 ARG 17 1HH2 ARG 17 -10.864 3.259 -0.901
130 2HH2 ARG 17 2HH2 ARG 17 -12.111 4.178 -1.706
131 H PHE 18 H PHE 18 -10.397 -1.983 -4.011
132 HA PHE 18 HA PHE 18 -12.575 -1.323 -5.735
133 1HB PHE 18 1HB PHE 18 -11.228 -3.593 -5.409
134 2HB PHE 18 2HB PHE 18 -12.387 -3.955 -4.201
135 HD1 PHE 18 HD1 PHE 18 -11.885 -3.662 -7.797
136 HD2 PHE 18 HD2 PHE 18 -14.831 -4.161 -4.676
137 HE1 PHE 18 HE1 PHE 18 -13.541 -4.462 -9.481
138 HE2 PHE 18 HE2 PHE 18 -16.481 -4.956 -6.359
139 HZ PHE 18 HZ PHE 18 -15.836 -5.113 -8.758
140 H THR 19 H THR 19 -12.453 -2.643 -2.343
141 HA THR 19 HA THR 19 -15.202 -2.335 -1.842
142 HB THR 19 HB THR 19 -14.758 -3.036 0.262
143 HG1 THR 19 HG1 THR 19 -12.841 -2.857 1.350
144 1HG2 THR 19 1HG2 THR 19 -12.350 -4.450 -0.502
145 2HG2 THR 19 2HG2 THR 19 -13.949 -5.054 -0.166
146 3HG2 THR 19 3HG2 THR 19 -13.582 -4.475 -1.789
147 H GLY 20 H GLY 20 -15.870 -1.216 0.329
148 1HA GLY 20 1HA GLY 20 -15.816 1.702 -0.126
149 2HA GLY 20 2HA GLY 20 -16.868 0.785 0.956
150 H GLY 21 H GLY 21 -13.441 0.177 0.843
151 1HA GLY 21 1HA GLY 21 -12.818 1.410 3.453
152 2HA GLY 21 2HA GLY 21 -11.923 0.123 2.628
153 H SER 22 H SER 22 -11.974 3.387 3.100
154 HA SER 22 HA SER 22 -11.294 4.670 0.764
155 1HB SER 22 2HB SER 22 -10.645 5.339 3.549
156 2HB SER 22 1HB SER 22 -10.689 6.449 2.190
157 HG SER 22 HG SER 22 -12.893 5.062 3.284
158 H GLN 23 H GLN 23 -9.279 5.695 0.793
159 HA GLN 23 HA GLN 23 -7.248 3.768 0.007
160 1HB GLN 23 1HB GLN 23 -7.649 5.789 -1.338
161 2HB GLN 23 2HB GLN 23 -6.861 6.782 -0.104
162 1HG GLN 23 1HG GLN 23 -4.775 5.478 -0.361
163 2HG GLN 23 2HG GLN 23 -5.560 4.416 -1.537
164 1HE2 GLN 23 2HE2 GLN 23 -6.527 5.560 -3.532
165 2HE2 GLN 23 1HE2 GLN 23 -5.582 6.864 -4.209
166 HA PRO 24 HA PRO 24 -4.996 5.422 4.041
167 1HB PRO 24 1HB PRO 24 -7.698 6.052 5.388
168 2HB PRO 24 2HB PRO 24 -6.117 6.642 5.839
169 1HG PRO 24 1HG PRO 24 -7.775 8.212 4.365
170 2HG PRO 24 2HG PRO 24 -6.102 8.033 3.747
171 1HD PRO 24 1HD PRO 24 -8.538 6.355 3.048
172 2HD PRO 24 2HD PRO 24 -7.512 7.248 1.914
173 H THR 25 H THR 25 -8.235 4.209 4.432
174 HA THR 25 HA THR 25 -7.644 2.178 6.361
175 HB THR 25 HB THR 25 -9.751 2.413 4.343
176 HG1 THR 25 HG1 THR 25 -11.019 2.803 6.212
177 1HG2 THR 25 1HG2 THR 25 -10.932 0.487 5.594
178 2HG2 THR 25 2HG2 THR 25 -9.497 -0.029 4.718
179 3HG2 THR 25 3HG2 THR 25 -9.395 0.255 6.462
180 H CYS 26 H CYS 26 -7.353 2.110 2.889
181 HA CYS 26 HA CYS 26 -6.642 -0.705 2.750
182 1HB CYS 26 1HB CYS 26 -5.858 1.458 0.719
183 2HB CYS 26 2HB CYS 26 -5.991 -0.270 0.464
184 H GLY 27 H GLY 27 -4.737 2.241 2.719
185 1HA GLY 27 1HA GLY 27 -2.225 0.886 2.762
186 2HA GLY 27 2HA GLY 27 -2.460 2.581 3.210
187 H ILE 28 H ILE 28 -4.507 1.595 5.323
188 HA ILE 28 HA ILE 28 -2.612 0.884 7.387
189 HB ILE 28 HB ILE 28 -5.622 1.261 7.387
190 1HG1 ILE 28 1HG1 ILE 28 -3.546 2.979 8.856
191 2HG1 ILE 28 2HG1 ILE 28 -3.867 3.281 7.154
192 1HG2 ILE 28 1HG2 ILE 28 -5.261 -0.285 9.126
193 2HG2 ILE 28 2HG2 ILE 28 -3.819 0.576 9.691
194 3HG2 ILE 28 3HG2 ILE 28 -5.450 1.274 9.898
195 1HD1 ILE 28 1HD1 ILE 28 -5.944 3.372 9.365
196 2HD1 ILE 28 2HD1 ILE 28 -5.262 4.744 8.460
197 3HD1 ILE 28 3HD1 ILE 28 -6.286 3.552 7.634
198 H LEU 29 H LEU 29 -5.484 -0.655 6.093
199 HA LEU 29 HA LEU 29 -5.340 -2.748 8.061
200 1HB LEU 29 1HB LEU 29 -6.922 -2.718 5.452
201 2HB LEU 29 2HB LEU 29 -7.057 -3.993 6.670
202 HG LEU 29 HG LEU 29 -7.659 -1.087 7.111
203 1HD1 LEU 29 1HD1 LEU 29 -9.287 -2.247 5.585
204 2HD1 LEU 29 2HD1 LEU 29 -9.514 -3.517 6.795
205 3HD1 LEU 29 3HD1 LEU 29 -10.070 -1.875 7.135
206 1HD2 LEU 29 1HD2 LEU 29 -7.038 -2.055 9.256
207 2HD2 LEU 29 2HD2 LEU 29 -8.789 -1.899 9.231
208 3HD2 LEU 29 3HD2 LEU 29 -8.045 -3.488 8.952
209 H CYS 30 H CYS 30 -4.600 -2.400 4.735
210 HA CYS 30 HA CYS 30 -3.349 -5.043 4.374
211 1HB CYS 30 1HB CYS 30 -3.151 -2.631 2.539
212 2HB CYS 30 2HB CYS 30 -2.827 -4.297 2.160
213 H ASP 31 H ASP 31 -2.299 -2.169 5.925
214 HA ASP 31 HA ASP 31 -0.303 -1.275 6.427
215 1HB ASP 31 1HB ASP 31 0.696 -4.146 6.133
216 2HB ASP 31 2HB ASP 31 1.538 -2.831 6.946
217 HD2 ASP 31 HD2 ASP 31 -1.607 -4.654 8.746
218 H CYS 32 H CYS 32 -0.952 -0.692 3.969
219 HA CYS 32 HA CYS 32 1.618 -0.721 2.400
220 1HB CYS 32 1HB CYS 32 -1.017 -0.410 1.492
221 2HB CYS 32 2HB CYS 32 -0.389 1.242 1.546
222 H ILE 33 H ILE 33 2.321 1.802 1.804
223 HA ILE 33 HA ILE 33 1.747 3.567 4.134
224 HB ILE 33 HB ILE 33 4.180 4.308 3.953
225 1HG1 ILE 33 1HG1 ILE 33 4.560 1.628 2.561
226 2HG1 ILE 33 2HG1 ILE 33 4.518 3.165 1.685
227 1HG2 ILE 33 1HG2 ILE 33 3.721 1.465 4.909
228 2HG2 ILE 33 2HG2 ILE 33 4.999 2.568 5.451
229 3HG2 ILE 33 3HG2 ILE 33 3.310 2.930 5.806
230 1HD1 ILE 33 1HD1 ILE 33 6.783 2.447 2.068
231 2HD1 ILE 33 2HD1 ILE 33 6.462 3.928 3.011
232 3HD1 ILE 33 3HD1 ILE 33 6.521 2.355 3.818
233 H HIS 34 H HIS 34 3.039 5.766 3.296
234 HA HIS 34 HA HIS 34 2.477 6.154 0.454
235 1HB HIS 34 1HB HIS 34 0.568 7.199 1.687
236 2HB HIS 34 2HB HIS 34 1.705 8.187 2.600
237 HD1 HIS 34 HD1 HIS 34 3.337 9.777 0.926
238 HD2 HIS 34 HD2 HIS 34 -0.324 8.325 -0.589
239 HE1 HIS 34 HE1 HIS 34 2.744 11.196 -1.120
240 HE2 HIS 34 HE2 HIS 34 0.514 10.335 -2.039
241 H VAL 35 H VAL 35 4.368 6.446 -0.433
242 HA VAL 35 HA VAL 35 6.536 7.763 1.138
243 HB VAL 35 HB VAL 35 8.068 7.006 -0.404
244 1HG1 VAL 35 1HG1 VAL 35 6.577 4.652 0.639
245 2HG1 VAL 35 2HG1 VAL 35 8.309 4.799 0.279
246 3HG1 VAL 35 3HG1 VAL 35 7.647 5.736 1.611
247 1HG2 VAL 35 1HG2 VAL 35 7.089 6.567 -2.487
248 2HG2 VAL 35 2HG2 VAL 35 7.641 4.999 -1.858
249 3HG2 VAL 35 3HG2 VAL 35 5.934 5.393 -1.771
250 H THR 36 H THR 36 7.545 9.405 0.434
251 HA THR 36 HA THR 36 7.131 10.426 -2.302
252 HB THR 36 HB THR 36 7.671 12.707 -1.617
253 HG1 THR 36 HG1 THR 36 8.694 12.188 0.374
254 1HG2 THR 36 1HG2 THR 36 5.470 13.259 -0.683
255 2HG2 THR 36 2HG2 THR 36 5.311 11.939 -1.871
256 3HG2 THR 36 3HG2 THR 36 5.244 11.582 -0.133
257 H THR 37 H THR 37 8.548 8.261 -1.638
258 HA THR 37 HA THR 37 11.136 8.514 -0.859
259 HB THR 37 HB THR 37 11.423 6.383 -2.096
260 HG1 THR 37 HG1 THR 37 9.539 5.340 -2.430
261 1HG2 THR 37 1HG2 THR 37 10.457 5.142 -0.250
262 2HG2 THR 37 2HG2 THR 37 11.615 6.394 0.169
263 3HG2 THR 37 3HG2 THR 37 9.920 6.687 0.466
264 H THR 38 H THR 38 12.593 7.722 -2.565
265 HA THR 38 HA THR 38 12.907 8.790 -5.260
266 HB THR 38 HB THR 38 14.400 6.770 -5.417
267 HG1 THR 38 HG1 THR 38 13.875 6.485 -2.673
268 1HG2 THR 38 1HG2 THR 38 15.317 8.992 -4.778
269 2HG2 THR 38 2HG2 THR 38 15.005 8.619 -3.072
270 3HG2 THR 38 3HG2 THR 38 16.188 7.664 -3.996
271 H THR 39 H THR 39 11.792 5.589 -3.831
272 HA THR 39 HA THR 39 9.828 4.863 -5.721
273 HB THR 39 HB THR 39 12.223 3.246 -5.475
274 HG1 THR 39 HG1 THR 39 12.146 5.337 -7.377
275 1HG2 THR 39 1HG2 THR 39 10.252 3.703 -7.718
276 2HG2 THR 39 2HG2 THR 39 11.658 2.606 -7.856
277 3HG2 THR 39 3HG2 THR 39 10.387 2.259 -6.681
278 H CYS 40 H CYS 40 9.418 2.627 -5.152
279 HA CYS 40 HA CYS 40 8.471 2.183 -2.626
280 1HB CYS 40 1HB CYS 40 9.300 0.365 -4.927
281 2HB CYS 40 2HB CYS 40 8.840 -0.400 -3.414
282 HA PRO 41 HA PRO 41 12.418 1.566 -0.463
283 1HB PRO 41 1HB PRO 41 11.534 1.638 2.091
284 2HB PRO 41 2HB PRO 41 11.463 3.064 1.022
285 1HG PRO 41 1HG PRO 41 9.237 1.074 1.559
286 2HG PRO 41 2HG PRO 41 9.171 2.856 1.692
287 1HD PRO 41 1HD PRO 41 8.316 1.633 -0.560
288 2HD PRO 41 2HD PRO 41 9.247 3.143 -0.662
289 H SER 42 H SER 42 13.307 0.203 1.170
290 HA SER 42 HA SER 42 13.126 -2.610 0.781
291 1HB SER 42 1HB SER 42 15.039 -1.249 1.664
292 2HB SER 42 2HB SER 42 14.114 -1.007 3.168
293 HG SER 42 HG SER 42 14.922 -3.506 2.069
294 H SER 43 H SER 43 11.430 -0.305 2.993
295 HA SER 43 HA SER 43 10.636 -2.285 4.933
296 1HB SER 43 2HB SER 43 9.891 0.513 4.373
297 2HB SER 43 1HB SER 43 9.315 -0.384 5.763
298 HG SER 43 HG SER 43 12.025 0.190 5.169
299 H HIS 44 H HIS 44 9.575 -1.107 1.905
300 HA HIS 44 HA HIS 44 7.059 -2.715 2.004
301 1HB HIS 44 1HB HIS 44 7.049 0.276 1.615
302 2HB HIS 44 2HB HIS 44 5.737 -0.796 1.157
303 HD1 HIS 44 HD1 HIS 44 7.614 0.318 4.306
304 HD2 HIS 44 HD2 HIS 44 4.056 -1.561 3.095
305 HE1 HIS 44 HE1 HIS 44 6.184 0.014 6.402
306 HE2 HIS 44 HE2 HIS 44 4.012 -1.167 5.682
307 HA PRO 45 HA PRO 45 9.523 -2.590 -1.944
308 1HB PRO 45 1HB PRO 45 9.519 -5.239 -2.666
309 2HB PRO 45 2HB PRO 45 10.577 -4.539 -1.410
310 1HG PRO 45 1HG PRO 45 7.899 -5.906 -1.001
311 2HG PRO 45 2HG PRO 45 9.445 -6.275 -0.182
312 1HD PRO 45 1HD PRO 45 7.664 -4.696 1.008
313 2HD PRO 45 2HD PRO 45 9.370 -4.220 1.054
314 H SER 46 H SER 46 6.119 -3.853 -1.742
315 HA SER 46 HA SER 46 6.031 -4.406 -4.588
316 1HB SER 46 1HB SER 46 4.802 -5.886 -3.253
317 2HB SER 46 2HB SER 46 4.038 -4.648 -2.306
318 HG SER 46 HG SER 46 3.735 -5.191 -5.094
319 HXT SER 46 HO OH 47 3.567 -1.247 -4.016
Start of MODEL 13
1 1H LYS 1 1H LYS 1 2.631 9.327 -4.823
2 2H LYS 1 2H LYS 1 1.461 8.698 -3.843
3 3H LYS 1 3H LYS 1 2.849 9.290 -3.185
4 HA LYS 1 HA LYS 1 2.635 7.002 -4.949
5 1HB LYS 1 1HB LYS 1 4.844 8.626 -4.646
6 2HB LYS 1 2HB LYS 1 5.171 7.377 -3.450
7 1HG LYS 1 1HG LYS 1 4.620 6.912 -6.404
8 2HG LYS 1 2HG LYS 1 6.195 6.935 -5.599
9 1HD LYS 1 1HD LYS 1 5.294 5.017 -4.107
10 2HD LYS 1 2HD LYS 1 3.955 4.899 -5.248
11 1HE LYS 1 1HE LYS 1 5.561 3.301 -6.007
12 2HE LYS 1 2HE LYS 1 5.706 4.667 -7.122
13 1HZ LYS 1 1HZ LYS 1 7.803 3.825 -6.403
14 2HZ LYS 1 2HZ LYS 1 7.615 5.382 -5.892
15 3HZ LYS 1 3HZ LYS 1 7.447 4.141 -4.827
16 H SER 2 H SER 2 2.285 5.053 -4.023
17 HA SER 2 HA SER 2 2.236 4.691 -1.050
18 1HB SER 2 1HB SER 2 -0.047 5.244 -1.815
19 2HB SER 2 2HB SER 2 0.032 3.956 -3.033
20 HG SER 2 HG SER 2 -1.001 3.327 -1.084
21 H CYS 3 H CYS 3 3.186 2.868 -0.449
22 HA CYS 3 HA CYS 3 3.798 0.730 -2.442
23 1HB CYS 3 1HB CYS 3 5.671 2.258 -0.606
24 2HB CYS 3 2HB CYS 3 6.122 0.759 -1.406
25 H CYS 4 H CYS 4 3.732 -1.370 -1.602
26 HA CYS 4 HA CYS 4 2.635 -1.687 1.120
27 1HB CYS 4 1HB CYS 4 2.197 -2.987 -1.555
28 2HB CYS 4 2HB CYS 4 1.656 -3.710 -0.087
29 H ARG 5 H ARG 5 3.073 -3.460 2.333
30 HA ARG 5 HA ARG 5 5.771 -4.151 1.982
31 1HB ARG 5 1HB ARG 5 5.799 -5.207 4.076
32 2HB ARG 5 2HB ARG 5 5.107 -3.584 4.097
33 1HG ARG 5 1HG ARG 5 2.787 -4.704 4.103
34 2HG ARG 5 2HG ARG 5 3.650 -6.240 4.376
35 1HD ARG 5 1HD ARG 5 4.904 -5.065 6.272
36 2HD ARG 5 2HD ARG 5 3.849 -3.667 6.023
37 HE ARG 5 HE ARG 5 2.200 -5.954 6.358
38 1HH1 ARG 5 1HH1 ARG 5 4.370 -3.957 8.358
39 2HH1 ARG 5 2HH1 ARG 5 3.543 -4.348 9.845
40 1HH2 ARG 5 1HH2 ARG 5 1.164 -6.473 8.311
41 2HH2 ARG 5 2HH2 ARG 5 1.716 -5.769 9.816
42 H ASN 6 H ASN 6 3.227 -5.502 0.495
43 HA ASN 6 HA ASN 6 4.869 -6.916 -0.862
44 1HB ASN 6 1HB ASN 6 3.651 -9.346 -0.514
45 2HB ASN 6 2HB ASN 6 5.155 -8.899 0.269
46 1HD2 ASN 6 2HD2 ASN 6 1.827 -7.823 1.157
47 2HD2 ASN 6 1HD2 ASN 6 1.853 -8.546 2.751
48 H THR 7 H THR 7 3.893 -8.277 -2.467
49 HA THR 7 HA THR 7 2.085 -6.678 -4.055
50 HB THR 7 HB THR 7 3.164 -9.376 -4.389
51 HG1 THR 7 HG1 THR 7 3.845 -6.853 -5.488
52 1HG2 THR 7 1HG2 THR 7 2.451 -8.930 -6.807
53 2HG2 THR 7 2HG2 THR 7 1.101 -9.162 -5.669
54 3HG2 THR 7 3HG2 THR 7 1.550 -7.516 -6.175
55 H LEU 8 H LEU 8 1.830 -9.358 -1.818
56 HA LEU 8 HA LEU 8 -0.880 -10.128 -1.986
57 1HB LEU 8 1HB LEU 8 1.422 -10.590 -0.419
58 2HB LEU 8 2HB LEU 8 0.512 -9.718 0.675
59 HG LEU 8 HG LEU 8 -0.468 -12.293 -0.595
60 1HD1 LEU 8 1HD2 LEU 8 -0.212 -13.169 1.717
61 2HD1 LEU 8 2HD2 LEU 8 1.336 -12.565 1.094
62 3HD1 LEU 8 3HD2 LEU 8 0.405 -11.593 2.252
63 1HD2 LEU 8 1HD1 LEU 8 -2.394 -10.838 -0.169
64 2HD2 LEU 8 2HD1 LEU 8 -2.345 -12.078 1.088
65 3HD2 LEU 8 3HD1 LEU 8 -1.785 -10.427 1.446
66 H ALA 9 H ALA 9 0.864 -7.661 -0.351
67 HA ALA 9 HA ALA 9 -1.473 -6.721 1.228
68 1HB ALA 9 1HB ALA 9 0.539 -6.461 2.328
69 2HB ALA 9 2HB ALA 9 1.275 -5.574 0.966
70 3HB ALA 9 3HB ALA 9 -0.026 -4.824 1.902
71 H ARG 10 H ARG 10 0.358 -5.498 -1.435
72 HA ARG 10 HA ARG 10 -1.073 -3.383 -2.461
73 1HB ARG 10 1HB ARG 10 1.136 -4.105 -3.095
74 2HB ARG 10 2HB ARG 10 0.491 -5.688 -3.477
75 1HG ARG 10 1HG ARG 10 1.164 -4.421 -5.482
76 2HG ARG 10 2HG ARG 10 -0.518 -4.970 -5.491
77 1HD ARG 10 1HD ARG 10 -0.273 -2.686 -6.194
78 2HD ARG 10 2HD ARG 10 -1.292 -2.880 -4.725
79 HE ARG 10 HE ARG 10 1.305 -2.267 -3.862
80 1HH1 ARG 10 1HH1 ARG 10 -1.386 -0.587 -5.473
81 2HH1 ARG 10 2HH1 ARG 10 -0.969 0.957 -4.776
82 1HH2 ARG 10 1HH2 ARG 10 1.812 -0.279 -2.970
83 2HH2 ARG 10 2HH2 ARG 10 0.858 1.136 -3.341
84 H ASN 11 H ASN 11 -1.644 -6.830 -2.756
85 HA ASN 11 HA ASN 11 -3.875 -6.522 -4.661
86 1HB ASN 11 1HB ASN 11 -2.998 -8.942 -3.041
87 2HB ASN 11 2HB ASN 11 -4.391 -8.927 -4.122
88 1HD2 ASN 11 2HD2 ASN 11 -2.336 -10.743 -4.531
89 2HD2 ASN 11 1HD2 ASN 11 -1.513 -10.330 -6.019
90 H CYS 12 H CYS 12 -3.788 -7.332 -1.181
91 HA CYS 12 HA CYS 12 -6.382 -6.904 -0.368
92 1HB CYS 12 1HB CYS 12 -4.759 -7.771 1.137
93 2HB CYS 12 2HB CYS 12 -3.716 -6.371 0.957
94 H TYR 13 H TYR 13 -3.853 -4.531 -0.840
95 HA TYR 13 HA TYR 13 -5.394 -2.258 -0.064
96 1HB TYR 13 1HB TYR 13 -2.973 -2.200 -0.037
97 2HB TYR 13 2HB TYR 13 -2.899 -2.515 -1.761
98 HD1 TYR 13 HD1 TYR 13 -3.346 -0.761 -3.441
99 HD2 TYR 13 HD2 TYR 13 -3.270 0.045 0.792
100 HE1 TYR 13 HE1 TYR 13 -3.081 1.654 -3.916
101 HE2 TYR 13 HE2 TYR 13 -3.018 2.479 0.328
102 HH TYR 13 HH TYR 13 -2.829 4.110 -1.295
103 H ASN 14 H ASN 14 -4.873 -3.593 -3.292
104 HA ASN 14 HA ASN 14 -6.405 -1.610 -4.727
105 1HB ASN 14 1HB ASN 14 -5.576 -4.441 -5.485
106 2HB ASN 14 2HB ASN 14 -6.276 -3.259 -6.591
107 1HD2 ASN 14 2HD2 ASN 14 -3.594 -4.656 -6.648
108 2HD2 ASN 14 1HD2 ASN 14 -2.432 -3.351 -6.774
109 H ALA 15 H ALA 15 -7.001 -4.584 -3.066
110 HA ALA 15 HA ALA 15 -9.746 -4.943 -3.915
111 1HB ALA 15 1HB ALA 15 -8.373 -6.864 -3.174
112 2HB ALA 15 2HB ALA 15 -8.240 -6.140 -1.551
113 3HB ALA 15 3HB ALA 15 -9.821 -6.655 -2.160
114 H CYS 16 H CYS 16 -8.182 -3.380 -0.966
115 HA CYS 16 HA CYS 16 -10.740 -2.970 0.275
116 1HB CYS 16 1HB CYS 16 -9.074 -2.848 1.806
117 2HB CYS 16 2HB CYS 16 -7.902 -2.125 0.711
118 H ARG 17 H ARG 17 -8.764 -1.424 -2.160
119 HA ARG 17 HA ARG 17 -10.194 1.080 -2.246
120 1HB ARG 17 2HB ARG 17 -7.802 0.736 -3.023
121 2HB ARG 17 1HB ARG 17 -8.436 -0.195 -4.362
122 1HG ARG 17 1HG ARG 17 -7.981 1.840 -5.320
123 2HG ARG 17 2HG ARG 17 -9.719 1.963 -5.038
124 1HD ARG 17 1HD ARG 17 -7.479 3.123 -3.291
125 2HD ARG 17 2HD ARG 17 -8.466 4.042 -4.427
126 HE ARG 17 HE ARG 17 -9.247 2.849 -1.837
127 1HH1 ARG 17 1HH1 ARG 17 -10.384 4.700 -4.678
128 2HH1 ARG 17 2HH1 ARG 17 -11.942 5.033 -3.961
129 1HH2 ARG 17 1HH2 ARG 17 -11.278 3.322 -0.951
130 2HH2 ARG 17 2HH2 ARG 17 -12.443 4.268 -1.852
131 H PHE 18 H PHE 18 -10.564 -2.080 -3.795
132 HA PHE 18 HA PHE 18 -12.795 -1.465 -5.478
133 1HB PHE 18 1HB PHE 18 -11.320 -3.658 -5.241
134 2HB PHE 18 2HB PHE 18 -12.446 -4.125 -4.027
135 HD1 PHE 18 HD1 PHE 18 -14.877 -4.443 -4.467
136 HD2 PHE 18 HD2 PHE 18 -12.010 -3.724 -7.622
137 HE1 PHE 18 HE1 PHE 18 -16.504 -5.304 -6.141
138 HE2 PHE 18 HE2 PHE 18 -13.650 -4.577 -9.292
139 HZ PHE 18 HZ PHE 18 -15.879 -5.390 -8.553
140 H THR 19 H THR 19 -12.549 -2.854 -2.125
141 HA THR 19 HA THR 19 -15.264 -2.984 -1.676
142 HB THR 19 HB THR 19 -14.734 -3.568 0.517
143 HG1 THR 19 HG1 THR 19 -12.780 -3.176 1.476
144 1HG2 THR 19 1HG2 THR 19 -13.882 -5.500 -0.090
145 2HG2 THR 19 2HG2 THR 19 -13.392 -4.820 -1.636
146 3HG2 THR 19 3HG2 THR 19 -12.282 -4.792 -0.248
147 H GLY 20 H GLY 20 -14.039 0.054 -1.990
148 1HA GLY 20 1HA GLY 20 -14.990 2.074 -1.441
149 2HA GLY 20 2HA GLY 20 -16.260 1.267 -0.518
150 H GLY 21 H GLY 21 -13.531 -0.120 0.706
151 1HA GLY 21 1HA GLY 21 -12.947 1.373 3.004
152 2HA GLY 21 2HA GLY 21 -12.012 0.089 2.222
153 H SER 22 H SER 22 -12.052 3.263 2.831
154 HA SER 22 HA SER 22 -11.253 4.738 0.691
155 1HB SER 22 2HB SER 22 -10.580 5.255 3.501
156 2HB SER 22 1HB SER 22 -10.817 6.421 2.204
157 HG SER 22 HG SER 22 -12.634 6.308 3.570
158 H GLN 23 H GLN 23 -9.321 5.615 0.567
159 HA GLN 23 HA GLN 23 -7.212 3.723 -0.060
160 1HB GLN 23 1HB GLN 23 -7.637 5.721 -1.468
161 2HB GLN 23 2HB GLN 23 -6.831 6.731 -0.259
162 1HG GLN 23 1HG GLN 23 -4.769 5.380 -0.485
163 2HG GLN 23 2HG GLN 23 -5.578 4.324 -1.654
164 1HE2 GLN 23 2HE2 GLN 23 -6.505 5.474 -3.664
165 2HE2 GLN 23 1HE2 GLN 23 -5.526 6.754 -4.342
166 HA PRO 24 HA PRO 24 -5.131 5.498 3.999
167 1HB PRO 24 1HB PRO 24 -7.886 6.180 5.211
168 2HB PRO 24 2HB PRO 24 -6.319 6.771 5.712
169 1HG PRO 24 1HG PRO 24 -7.903 8.306 4.124
170 2HG PRO 24 2HG PRO 24 -6.207 8.095 3.569
171 1HD PRO 24 1HD PRO 24 -8.626 6.400 2.858
172 2HD PRO 24 2HD PRO 24 -7.574 7.255 1.720
173 H THR 25 H THR 25 -8.382 4.277 4.296
174 HA THR 25 HA THR 25 -7.806 2.338 6.341
175 HB THR 25 HB THR 25 -9.875 2.461 4.276
176 HG1 THR 25 HG1 THR 25 -10.060 3.773 6.096
177 1HG2 THR 25 1HG2 THR 25 -10.972 0.423 5.443
178 2HG2 THR 25 2HG2 THR 25 -9.523 0.033 4.528
179 3HG2 THR 25 3HG2 THR 25 -9.424 0.195 6.285
180 H CYS 26 H CYS 26 -7.454 2.113 2.874
181 HA CYS 26 HA CYS 26 -6.723 -0.693 2.879
182 1HB CYS 26 1HB CYS 26 -5.918 1.418 0.791
183 2HB CYS 26 2HB CYS 26 -6.025 -0.322 0.575
184 H GLY 27 H GLY 27 -4.830 2.264 2.804
185 1HA GLY 27 1HA GLY 27 -2.296 0.909 2.857
186 2HA GLY 27 2HA GLY 27 -2.540 2.622 3.237
187 H ILE 28 H ILE 28 -4.596 1.713 5.389
188 HA ILE 28 HA ILE 28 -2.720 1.032 7.490
189 HB ILE 28 HB ILE 28 -5.737 1.403 7.394
190 1HG1 ILE 28 1HG1 ILE 28 -3.689 3.091 8.925
191 2HG1 ILE 28 2HG1 ILE 28 -3.994 3.414 7.218
192 1HG2 ILE 28 1HG2 ILE 28 -5.465 -0.167 9.105
193 2HG2 ILE 28 2HG2 ILE 28 -4.030 0.668 9.744
194 3HG2 ILE 28 3HG2 ILE 28 -5.662 1.385 9.902
195 1HD1 ILE 28 1HD1 ILE 28 -6.076 3.510 9.425
196 2HD1 ILE 28 2HD1 ILE 28 -5.372 4.871 8.529
197 3HD1 ILE 28 3HD1 ILE 28 -6.416 3.705 7.690
198 H LEU 29 H LEU 29 -5.549 -0.503 6.153
199 HA LEU 29 HA LEU 29 -5.548 -2.616 8.017
200 1HB LEU 29 1HB LEU 29 -7.658 -2.893 7.464
201 2HB LEU 29 2HB LEU 29 -7.470 -1.633 6.299
202 HG LEU 29 HG LEU 29 -6.606 -3.461 4.769
203 1HD1 LEU 29 1HD1 LEU 29 -6.620 -5.339 6.476
204 2HD1 LEU 29 2HD1 LEU 29 -8.372 -5.164 6.604
205 3HD1 LEU 29 3HD1 LEU 29 -7.639 -5.695 5.082
206 1HD2 LEU 29 1HD2 LEU 29 -9.557 -3.213 5.466
207 2HD2 LEU 29 2HD2 LEU 29 -8.645 -2.202 4.321
208 3HD2 LEU 29 3HD2 LEU 29 -8.938 -3.915 3.956
209 H CYS 30 H CYS 30 -4.529 -2.272 4.756
210 HA CYS 30 HA CYS 30 -3.298 -4.952 4.566
211 1HB CYS 30 1HB CYS 30 -3.144 -2.617 2.618
212 2HB CYS 30 2HB CYS 30 -2.755 -4.283 2.307
213 H ASP 31 H ASP 31 -2.310 -2.015 6.020
214 HA ASP 31 HA ASP 31 -0.307 -1.132 6.560
215 1HB ASP 31 1HB ASP 31 0.672 -3.998 6.239
216 2HB ASP 31 2HB ASP 31 1.547 -2.706 7.040
217 HD2 ASP 31 HD2 ASP 31 -1.402 -4.570 7.153
218 H CYS 32 H CYS 32 -0.933 -0.478 4.116
219 HA CYS 32 HA CYS 32 1.640 -0.502 2.555
220 1HB CYS 32 1HB CYS 32 -0.988 -0.261 1.621
221 2HB CYS 32 2HB CYS 32 -0.388 1.401 1.638
222 H ILE 33 H ILE 33 2.329 1.965 1.942
223 HA ILE 33 HA ILE 33 1.799 3.810 4.221
224 HB ILE 33 HB ILE 33 4.263 4.436 4.057
225 1HG1 ILE 33 1HG1 ILE 33 4.571 1.732 2.709
226 2HG1 ILE 33 2HG1 ILE 33 4.551 3.245 1.780
227 1HG2 ILE 33 1HG2 ILE 33 3.336 3.111 5.917
228 2HG2 ILE 33 2HG2 ILE 33 3.672 1.628 5.020
229 3HG2 ILE 33 3HG2 ILE 33 5.007 2.670 5.554
230 1HD1 ILE 33 1HD1 ILE 33 6.814 2.504 2.187
231 2HD1 ILE 33 2HD1 ILE 33 6.510 4.027 3.051
232 3HD1 ILE 33 3HD1 ILE 33 6.548 2.491 3.942
233 H HIS 34 H HIS 34 3.285 5.913 3.286
234 HA HIS 34 HA HIS 34 2.612 6.303 0.474
235 1HB HIS 34 1HB HIS 34 0.781 7.404 1.747
236 2HB HIS 34 2HB HIS 34 1.973 8.369 2.620
237 HD1 HIS 34 HD1 HIS 34 -0.054 8.321 -0.465
238 HD2 HIS 34 HD2 HIS 34 3.526 10.138 0.846
239 HE1 HIS 34 HE1 HIS 34 0.462 10.244 -2.071
240 HE2 HIS 34 HE2 HIS 34 2.641 11.345 -1.290
241 H VAL 35 H VAL 35 4.485 6.638 -0.486
242 HA VAL 35 HA VAL 35 6.736 7.920 1.034
243 HB VAL 35 HB VAL 35 8.230 7.038 -0.482
244 1HG1 VAL 35 1HG1 VAL 35 6.650 4.808 0.703
245 2HG1 VAL 35 2HG1 VAL 35 8.363 4.820 0.249
246 3HG1 VAL 35 3HG1 VAL 35 7.830 5.874 1.562
247 1HG2 VAL 35 1HG2 VAL 35 7.232 6.593 -2.545
248 2HG2 VAL 35 2HG2 VAL 35 7.677 5.002 -1.883
249 3HG2 VAL 35 3HG2 VAL 35 6.002 5.514 -1.806
250 H THR 36 H THR 36 7.831 9.492 0.229
251 HA THR 36 HA THR 36 7.424 10.304 -2.574
252 HB THR 36 HB THR 36 8.098 12.611 -2.075
253 HG1 THR 36 HG1 THR 36 9.124 12.226 -0.067
254 1HG2 THR 36 1HG2 THR 36 5.937 13.350 -1.190
255 2HG2 THR 36 2HG2 THR 36 5.703 11.949 -2.259
256 3HG2 THR 36 3HG2 THR 36 5.630 11.742 -0.499
257 H THR 37 H THR 37 8.746 8.149 -1.808
258 HA THR 37 HA THR 37 11.384 8.329 -1.144
259 HB THR 37 HB THR 37 11.521 6.107 -2.254
260 HG1 THR 37 HG1 THR 37 9.688 6.387 -3.477
261 1HG2 THR 37 1HG2 THR 37 10.555 5.025 -0.309
262 2HG2 THR 37 2HG2 THR 37 11.769 6.255 0.005
263 3HG2 THR 37 3HG2 THR 37 10.092 6.633 0.320
264 H THR 38 H THR 38 12.720 7.372 -2.857
265 HA THR 38 HA THR 38 13.002 8.310 -5.603
266 HB THR 38 HB THR 38 14.459 6.271 -5.699
267 HG1 THR 38 HG1 THR 38 13.953 6.078 -2.939
268 1HG2 THR 38 1HG2 THR 38 15.122 8.186 -3.426
269 2HG2 THR 38 2HG2 THR 38 16.277 7.180 -4.313
270 3HG2 THR 38 3HG2 THR 38 15.422 8.480 -5.152
271 H THR 39 H THR 39 11.796 5.207 -4.006
272 HA THR 39 HA THR 39 9.895 4.415 -5.944
273 HB THR 39 HB THR 39 12.196 2.728 -5.463
274 HG1 THR 39 HG1 THR 39 13.355 3.460 -7.299
275 1HG2 THR 39 1HG2 THR 39 10.460 3.181 -7.899
276 2HG2 THR 39 2HG2 THR 39 11.751 1.945 -7.793
277 3HG2 THR 39 3HG2 THR 39 10.333 1.830 -6.744
278 H CYS 40 H CYS 40 9.348 2.240 -5.221
279 HA CYS 40 HA CYS 40 8.495 2.291 -2.588
280 1HB CYS 40 1HB CYS 40 8.546 -0.055 -4.524
281 2HB CYS 40 2HB CYS 40 7.836 -0.151 -2.919
282 HA PRO 41 HA PRO 41 12.335 1.346 -0.645
283 1HB PRO 41 1HB PRO 41 11.628 1.607 1.952
284 2HB PRO 41 2HB PRO 41 11.543 2.968 0.809
285 1HG PRO 41 1HG PRO 41 9.265 1.108 1.567
286 2HG PRO 41 2HG PRO 41 9.276 2.901 1.634
287 1HD PRO 41 1HD PRO 41 8.252 1.669 -0.530
288 2HD PRO 41 2HD PRO 41 9.300 3.090 -0.712
289 H SER 42 H SER 42 13.290 0.080 1.036
290 HA SER 42 HA SER 42 13.001 -2.750 0.863
291 1HB SER 42 1HB SER 42 14.267 -0.925 2.948
292 2HB SER 42 2HB SER 42 14.486 -2.685 2.874
293 HG SER 42 HG SER 42 16.186 -1.541 1.825
294 H SER 43 H SER 43 11.490 -0.236 2.995
295 HA SER 43 HA SER 43 10.713 -2.082 5.058
296 1HB SER 43 1HB SER 43 9.493 -0.146 5.859
297 2HB SER 43 2HB SER 43 11.115 0.362 5.400
298 HG SER 43 HG SER 43 10.217 1.140 3.455
299 H HIS 44 H HIS 44 9.535 -1.067 2.004
300 HA HIS 44 HA HIS 44 7.018 -2.659 2.243
301 1HB HIS 44 1HB HIS 44 7.094 0.305 1.718
302 2HB HIS 44 2HB HIS 44 5.745 -0.728 1.279
303 HD1 HIS 44 HD1 HIS 44 7.641 0.381 4.423
304 HD2 HIS 44 HD2 HIS 44 4.043 -1.424 3.212
305 HE1 HIS 44 HE1 HIS 44 6.188 0.137 6.509
306 HE2 HIS 44 HE2 HIS 44 3.986 -0.987 5.794
307 HA PRO 45 HA PRO 45 9.601 -2.846 -1.680
308 1HB PRO 45 1HB PRO 45 9.302 -5.516 -2.332
309 2HB PRO 45 2HB PRO 45 10.484 -4.858 -1.176
310 1HG PRO 45 1HG PRO 45 7.728 -5.980 -0.575
311 2HG PRO 45 2HG PRO 45 9.277 -6.421 0.207
312 1HD PRO 45 1HD PRO 45 7.688 -4.671 1.395
313 2HD PRO 45 2HD PRO 45 9.411 -4.278 1.298
314 H SER 46 H SER 46 6.120 -3.845 -1.490
315 HA SER 46 HA SER 46 5.905 -3.880 -4.429
316 1HB SER 46 1HB SER 46 4.769 -5.651 -3.206
317 2HB SER 46 2HB SER 46 3.967 -4.520 -2.154
318 HG SER 46 HG SER 46 3.009 -3.684 -4.158
319 HXT SER 46 HO OH 47 3.713 -1.020 -4.568
Start of MODEL 14
1 1H LYS 1 1H LYS 1 3.782 9.246 -4.845
2 2H LYS 1 2H LYS 1 2.460 9.036 -3.877
3 3H LYS 1 3H LYS 1 3.963 9.168 -3.204
4 HA LYS 1 HA LYS 1 3.028 7.033 -4.939
5 1HB LYS 1 1HB LYS 1 5.365 7.359 -5.347
6 2HB LYS 1 2HB LYS 1 5.702 7.515 -3.636
7 1HG LYS 1 1HG LYS 1 6.498 5.377 -4.230
8 2HG LYS 1 2HG LYS 1 5.021 5.109 -3.322
9 1HD LYS 1 1HD LYS 1 4.720 3.605 -5.044
10 2HD LYS 1 2HD LYS 1 3.855 4.991 -5.658
11 1HE LYS 1 1HE LYS 1 5.253 4.183 -7.471
12 2HE LYS 1 2HE LYS 1 6.035 5.665 -6.900
13 1HZ LYS 1 1HZ LYS 1 6.790 2.911 -6.236
14 2HZ LYS 1 2HZ LYS 1 7.603 3.944 -7.225
15 3HZ LYS 1 3HZ LYS 1 7.510 4.251 -5.610
16 H SER 2 H SER 2 2.508 5.091 -4.058
17 HA SER 2 HA SER 2 2.159 4.738 -1.122
18 1HB SER 2 1HB SER 2 -0.009 4.342 -3.230
19 2HB SER 2 2HB SER 2 -0.081 3.791 -1.543
20 HG SER 2 HG SER 2 0.157 5.974 -0.907
21 H CYS 3 H CYS 3 3.255 3.023 -0.656
22 HA CYS 3 HA CYS 3 3.743 0.819 -2.581
23 1HB CYS 3 1HB CYS 3 5.487 2.234 -0.557
24 2HB CYS 3 2HB CYS 3 5.950 0.716 -1.307
25 H CYS 4 H CYS 4 3.731 -1.393 -1.692
26 HA CYS 4 HA CYS 4 2.473 -1.715 0.959
27 1HB CYS 4 1HB CYS 4 2.195 -3.048 -1.753
28 2HB CYS 4 2HB CYS 4 1.516 -3.718 -0.309
29 H ARG 5 H ARG 5 2.917 -3.416 2.198
30 HA ARG 5 HA ARG 5 5.591 -4.152 1.893
31 1HB ARG 5 1HB ARG 5 5.626 -5.189 3.975
32 2HB ARG 5 2HB ARG 5 4.864 -3.595 4.014
33 1HG ARG 5 1HG ARG 5 2.609 -4.702 4.079
34 2HG ARG 5 2HG ARG 5 3.431 -6.285 4.126
35 1HD ARG 5 1HD ARG 5 4.720 -5.536 6.124
36 2HD ARG 5 2HD ARG 5 3.902 -3.971 6.059
37 HE ARG 5 HE ARG 5 1.898 -5.965 6.162
38 1HH1 ARG 5 1HH1 ARG 5 4.418 -4.671 8.324
39 2HH1 ARG 5 2HH1 ARG 5 3.503 -5.014 9.777
40 1HH2 ARG 5 1HH2 ARG 5 0.750 -6.422 8.075
41 2HH2 ARG 5 2HH2 ARG 5 1.427 -6.014 9.633
42 H ASN 6 H ASN 6 3.135 -5.530 0.339
43 HA ASN 6 HA ASN 6 4.843 -6.986 -0.945
44 1HB ASN 6 1HB ASN 6 3.553 -9.382 -0.598
45 2HB ASN 6 2HB ASN 6 5.062 -8.959 0.182
46 1HD2 ASN 6 2HD2 ASN 6 1.743 -7.822 1.025
47 2HD2 ASN 6 1HD2 ASN 6 1.741 -8.532 2.625
48 H THR 7 H THR 7 3.896 -8.337 -2.571
49 HA THR 7 HA THR 7 2.134 -6.731 -4.205
50 HB THR 7 HB THR 7 3.216 -9.428 -4.525
51 HG1 THR 7 HG1 THR 7 4.732 -7.738 -4.576
52 1HG2 THR 7 1HG2 THR 7 2.519 -8.979 -6.954
53 2HG2 THR 7 2HG2 THR 7 1.163 -9.221 -5.827
54 3HG2 THR 7 3HG2 THR 7 1.604 -7.573 -6.326
55 H LEU 8 H LEU 8 1.818 -9.408 -1.963
56 HA LEU 8 HA LEU 8 -0.889 -10.175 -2.177
57 1HB LEU 8 1HB LEU 8 1.384 -10.624 -0.558
58 2HB LEU 8 2HB LEU 8 0.454 -9.741 0.507
59 HG LEU 8 HG LEU 8 -0.506 -12.332 -0.745
60 1HD1 LEU 8 1HD2 LEU 8 -0.276 -13.179 1.576
61 2HD1 LEU 8 2HD2 LEU 8 1.276 -12.546 0.998
62 3HD1 LEU 8 3HD2 LEU 8 0.294 -11.586 2.118
63 1HD2 LEU 8 1HD1 LEU 8 -2.441 -10.874 -0.382
64 2HD2 LEU 8 2HD1 LEU 8 -2.408 -12.087 0.896
65 3HD2 LEU 8 3HD1 LEU 8 -1.862 -10.433 1.241
66 H ALA 9 H ALA 9 0.824 -7.693 -0.526
67 HA ALA 9 HA ALA 9 -1.546 -6.737 0.974
68 1HB ALA 9 1HB ALA 9 0.440 -6.457 2.129
69 2HB ALA 9 2HB ALA 9 1.208 -5.588 0.769
70 3HB ALA 9 3HB ALA 9 -0.114 -4.829 1.661
71 H ARG 10 H ARG 10 0.333 -5.571 -1.681
72 HA ARG 10 HA ARG 10 -1.077 -3.438 -2.738
73 1HB ARG 10 1HB ARG 10 1.144 -4.149 -3.322
74 2HB ARG 10 2HB ARG 10 0.526 -5.745 -3.696
75 1HG ARG 10 1HG ARG 10 1.227 -4.499 -5.706
76 2HG ARG 10 2HG ARG 10 -0.447 -5.080 -5.743
77 1HD ARG 10 1HD ARG 10 -0.224 -2.802 -6.485
78 2HD ARG 10 2HD ARG 10 -1.265 -2.990 -5.029
79 HE ARG 10 HE ARG 10 1.309 -2.320 -4.134
80 1HH1 ARG 10 1HH1 ARG 10 -1.379 -0.715 -5.828
81 2HH1 ARG 10 2HH1 ARG 10 -1.032 0.841 -5.109
82 1HH2 ARG 10 1HH2 ARG 10 1.724 -0.315 -3.231
83 2HH2 ARG 10 2HH2 ARG 10 0.752 1.074 -3.644
84 H ASN 11 H ASN 11 -1.655 -6.886 -2.990
85 HA ASN 11 HA ASN 11 -3.876 -6.589 -4.890
86 1HB ASN 11 1HB ASN 11 -3.000 -8.999 -3.260
87 2HB ASN 11 2HB ASN 11 -4.381 -8.990 -4.360
88 1HD2 ASN 11 2HD2 ASN 11 -2.307 -10.791 -4.732
89 2HD2 ASN 11 1HD2 ASN 11 -1.444 -10.372 -6.195
90 H CYS 12 H CYS 12 -3.795 -7.364 -1.395
91 HA CYS 12 HA CYS 12 -6.369 -6.931 -0.568
92 1HB CYS 12 1HB CYS 12 -4.763 -7.771 0.941
93 2HB CYS 12 2HB CYS 12 -3.679 -6.419 0.687
94 H TYR 13 H TYR 13 -3.875 -4.554 -1.142
95 HA TYR 13 HA TYR 13 -5.379 -2.267 -0.312
96 1HB TYR 13 1HB TYR 13 -2.981 -2.261 -0.295
97 2HB TYR 13 2HB TYR 13 -2.901 -2.550 -2.023
98 HD1 TYR 13 HD1 TYR 13 -3.196 -0.002 0.577
99 HD2 TYR 13 HD2 TYR 13 -3.332 -0.757 -3.671
100 HE1 TYR 13 HE1 TYR 13 -2.897 2.422 0.141
101 HE2 TYR 13 HE2 TYR 13 -3.018 1.661 -4.114
102 HH TYR 13 HH TYR 13 -2.766 3.766 -3.185
103 H ASN 14 H ASN 14 -4.798 -3.577 -3.559
104 HA ASN 14 HA ASN 14 -6.326 -1.611 -5.016
105 1HB ASN 14 1HB ASN 14 -5.476 -4.453 -5.726
106 2HB ASN 14 2HB ASN 14 -6.190 -3.300 -6.856
107 1HD2 ASN 14 2HD2 ASN 14 -3.515 -4.660 -6.933
108 2HD2 ASN 14 1HD2 ASN 14 -2.357 -3.352 -7.048
109 H ALA 15 H ALA 15 -6.962 -4.577 -3.346
110 HA ALA 15 HA ALA 15 -9.715 -4.915 -4.195
111 1HB ALA 15 1HB ALA 15 -8.371 -6.846 -3.430
112 2HB ALA 15 2HB ALA 15 -8.217 -6.096 -1.820
113 3HB ALA 15 3HB ALA 15 -9.809 -6.601 -2.408
114 H CYS 16 H CYS 16 -8.105 -3.399 -1.236
115 HA CYS 16 HA CYS 16 -10.653 -2.888 0.002
116 1HB CYS 16 1HB CYS 16 -8.960 -2.845 1.519
117 2HB CYS 16 2HB CYS 16 -7.779 -2.134 0.427
118 H ARG 17 H ARG 17 -8.662 -1.404 -2.484
119 HA ARG 17 HA ARG 17 -10.055 1.122 -2.531
120 1HB ARG 17 2HB ARG 17 -7.652 0.775 -3.304
121 2HB ARG 17 1HB ARG 17 -8.295 -0.114 -4.674
122 1HG ARG 17 1HG ARG 17 -7.877 1.955 -5.585
123 2HG ARG 17 2HG ARG 17 -9.602 2.089 -5.230
124 1HD ARG 17 1HD ARG 17 -7.261 3.163 -3.575
125 2HD ARG 17 2HD ARG 17 -8.333 4.133 -4.577
126 HE ARG 17 HE ARG 17 -8.894 2.842 -1.979
127 1HH1 ARG 17 1HH1 ARG 17 -10.316 4.720 -4.670
128 2HH1 ARG 17 2HH1 ARG 17 -11.817 4.970 -3.819
129 1HH2 ARG 17 1HH2 ARG 17 -10.873 3.189 -0.938
130 2HH2 ARG 17 2HH2 ARG 17 -12.129 4.129 -1.708
131 H PHE 18 H PHE 18 -10.436 -2.035 -4.100
132 HA PHE 18 HA PHE 18 -12.642 -1.397 -5.804
133 1HB PHE 18 1HB PHE 18 -11.260 -3.643 -5.523
134 2HB PHE 18 2HB PHE 18 -12.396 -4.034 -4.290
135 HD1 PHE 18 HD1 PHE 18 -14.813 -4.351 -4.728
136 HD2 PHE 18 HD2 PHE 18 -11.997 -3.597 -7.920
137 HE1 PHE 18 HE1 PHE 18 -16.477 -5.149 -6.390
138 HE2 PHE 18 HE2 PHE 18 -13.662 -4.411 -9.577
139 HZ PHE 18 HZ PHE 18 -15.905 -5.176 -8.814
140 H THR 19 H THR 19 -12.470 -2.747 -2.433
141 HA THR 19 HA THR 19 -15.207 -2.501 -1.885
142 HB THR 19 HB THR 19 -14.691 -3.197 0.230
143 HG1 THR 19 HG1 THR 19 -12.758 -2.989 1.249
144 1HG2 THR 19 1HG2 THR 19 -13.892 -5.194 -0.254
145 2HG2 THR 19 2HG2 THR 19 -13.525 -4.611 -1.874
146 3HG2 THR 19 3HG2 THR 19 -12.291 -4.571 -0.595
147 H GLY 20 H GLY 20 -15.832 -1.392 0.328
148 1HA GLY 20 1HA GLY 20 -15.811 1.533 -0.109
149 2HA GLY 20 2HA GLY 20 -16.836 0.606 0.990
150 H GLY 21 H GLY 21 -13.402 0.039 0.739
151 1HA GLY 21 1HA GLY 21 -12.712 1.170 3.384
152 2HA GLY 21 2HA GLY 21 -11.834 -0.075 2.473
153 H SER 22 H SER 22 -11.983 3.211 3.056
154 HA SER 22 HA SER 22 -11.252 4.541 0.769
155 1HB SER 22 2HB SER 22 -10.668 5.139 3.583
156 2HB SER 22 1HB SER 22 -10.677 6.293 2.255
157 HG SER 22 HG SER 22 -12.615 6.365 3.435
158 H GLN 23 H GLN 23 -9.264 5.623 0.899
159 HA GLN 23 HA GLN 23 -7.162 3.792 0.056
160 1HB GLN 23 1HB GLN 23 -7.546 5.849 -1.203
161 2HB GLN 23 2HB GLN 23 -6.881 6.817 0.118
162 1HG GLN 23 1HG GLN 23 -4.722 5.569 -0.079
163 2HG GLN 23 2HG GLN 23 -5.411 4.600 -1.389
164 1HE2 GLN 23 2HE2 GLN 23 -3.270 5.559 -2.302
165 2HE2 GLN 23 1HE2 GLN 23 -3.428 7.067 -3.184
166 HA PRO 24 HA PRO 24 -5.052 5.213 4.236
167 1HB PRO 24 1HB PRO 24 -7.796 5.772 5.535
168 2HB PRO 24 2HB PRO 24 -6.226 6.341 6.068
169 1HG PRO 24 1HG PRO 24 -7.847 7.978 4.642
170 2HG PRO 24 2HG PRO 24 -6.161 7.844 4.047
171 1HD PRO 24 1HD PRO 24 -8.573 6.197 3.196
172 2HD PRO 24 2HD PRO 24 -7.512 7.157 2.151
173 H THR 25 H THR 25 -8.290 3.970 4.480
174 HA THR 25 HA THR 25 -7.751 1.842 6.308
175 HB THR 25 HB THR 25 -9.755 2.139 4.201
176 HG1 THR 25 HG1 THR 25 -11.121 2.434 6.014
177 1HG2 THR 25 1HG2 THR 25 -10.948 0.133 5.329
178 2HG2 THR 25 2HG2 THR 25 -9.476 -0.308 4.464
179 3HG2 THR 25 3HG2 THR 25 -9.432 -0.119 6.223
180 H CYS 26 H CYS 26 -7.275 1.964 2.861
181 HA CYS 26 HA CYS 26 -6.492 -0.826 2.619
182 1HB CYS 26 1HB CYS 26 -5.693 1.439 0.722
183 2HB CYS 26 2HB CYS 26 -5.773 -0.275 0.389
184 H GLY 27 H GLY 27 -4.622 2.148 2.685
185 1HA GLY 27 1HA GLY 27 -2.121 0.866 3.044
186 2HA GLY 27 2HA GLY 27 -2.448 2.566 3.417
187 H ILE 28 H ILE 28 -4.650 1.318 5.365
188 HA ILE 28 HA ILE 28 -2.803 0.702 7.536
189 HB ILE 28 HB ILE 28 -5.828 0.931 7.424
190 1HG1 ILE 28 1HG1 ILE 28 -3.908 2.700 9.041
191 2HG1 ILE 28 2HG1 ILE 28 -4.141 3.047 7.333
192 1HG2 ILE 28 1HG2 ILE 28 -4.078 0.277 9.776
193 2HG2 ILE 28 2HG2 ILE 28 -5.755 0.876 9.940
194 3HG2 ILE 28 3HG2 ILE 28 -5.449 -0.647 9.125
195 1HD1 ILE 28 1HD1 ILE 28 -5.663 4.397 8.641
196 2HD1 ILE 28 2HD1 ILE 28 -6.569 3.232 7.658
197 3HD1 ILE 28 3HD1 ILE 28 -6.368 2.951 9.404
198 H LEU 29 H LEU 29 -5.537 -0.907 6.031
199 HA LEU 29 HA LEU 29 -5.378 -3.102 7.875
200 1HB LEU 29 1HB LEU 29 -6.789 -3.003 5.177
201 2HB LEU 29 2HB LEU 29 -6.927 -4.349 6.315
202 HG LEU 29 HG LEU 29 -7.712 -1.505 6.897
203 1HD1 LEU 29 1HD2 LEU 29 -9.441 -3.961 6.272
204 2HD1 LEU 29 2HD2 LEU 29 -10.070 -2.362 6.689
205 3HD1 LEU 29 3HD2 LEU 29 -9.170 -2.594 5.176
206 1HD2 LEU 29 1HD1 LEU 29 -8.954 -2.508 8.856
207 2HD2 LEU 29 2HD1 LEU 29 -8.127 -4.046 8.532
208 3HD2 LEU 29 3HD1 LEU 29 -7.199 -2.610 9.007
209 H CYS 30 H CYS 30 -4.479 -2.507 4.626
210 HA CYS 30 HA CYS 30 -2.905 -4.993 4.245
211 1HB CYS 30 1HB CYS 30 -2.919 -2.600 2.406
212 2HB CYS 30 2HB CYS 30 -2.524 -4.260 2.059
213 H ASP 31 H ASP 31 -2.230 -2.094 5.917
214 HA ASP 31 HA ASP 31 -0.377 -1.105 6.637
215 1HB ASP 31 1HB ASP 31 0.084 -3.697 7.067
216 2HB ASP 31 2HB ASP 31 1.356 -3.460 5.878
217 HD2 ASP 31 HD2 ASP 31 2.927 -1.884 6.357
218 H CYS 32 H CYS 32 -1.018 -0.463 3.990
219 HA CYS 32 HA CYS 32 1.637 -0.255 2.527
220 1HB CYS 32 1HB CYS 32 -0.999 0.683 1.377
221 2HB CYS 32 2HB CYS 32 0.534 0.543 0.609
222 H ILE 33 H ILE 33 2.462 1.946 1.844
223 HA ILE 33 HA ILE 33 1.649 4.044 3.749
224 HB ILE 33 HB ILE 33 3.763 4.440 4.600
225 1HG1 ILE 33 1HG1 ILE 33 5.616 3.968 3.489
226 2HG1 ILE 33 2HG1 ILE 33 5.562 2.515 4.485
227 1HG2 ILE 33 1HG2 ILE 33 2.262 2.911 5.777
228 2HG2 ILE 33 2HG2 ILE 33 3.070 1.522 5.025
229 3HG2 ILE 33 3HG2 ILE 33 3.957 2.572 6.148
230 1HD1 ILE 33 1HD1 ILE 33 6.301 1.943 2.399
231 2HD1 ILE 33 2HD1 ILE 33 4.627 1.320 2.484
232 3HD1 ILE 33 3HD1 ILE 33 5.037 2.767 1.538
233 H HIS 34 H HIS 34 2.385 6.098 3.249
234 HA HIS 34 HA HIS 34 2.524 6.385 0.365
235 1HB HIS 34 1HB HIS 34 0.520 7.332 1.512
236 2HB HIS 34 2HB HIS 34 1.571 8.422 2.422
237 HD1 HIS 34 HD1 HIS 34 -0.059 7.929 -0.913
238 HD2 HIS 34 HD2 HIS 34 2.928 10.387 0.783
239 HE1 HIS 34 HE1 HIS 34 0.384 9.839 -2.559
240 HE2 HIS 34 HE2 HIS 34 2.190 11.341 -1.533
241 H VAL 35 H VAL 35 4.431 6.570 -0.284
242 HA VAL 35 HA VAL 35 6.538 7.920 1.341
243 HB VAL 35 HB VAL 35 8.145 7.058 -0.073
244 1HG1 VAL 35 1HG1 VAL 35 7.644 5.915 1.925
245 2HG1 VAL 35 2HG1 VAL 35 6.565 4.804 0.989
246 3HG1 VAL 35 3HG1 VAL 35 8.317 4.878 0.656
247 1HG2 VAL 35 1HG2 VAL 35 7.141 6.629 -2.208
248 2HG2 VAL 35 2HG2 VAL 35 7.870 5.150 -1.581
249 3HG2 VAL 35 3HG2 VAL 35 6.116 5.351 -1.460
250 H THR 36 H THR 36 7.594 9.523 0.650
251 HA THR 36 HA THR 36 7.447 10.362 -2.178
252 HB THR 36 HB THR 36 8.053 12.642 -1.593
253 HG1 THR 36 HG1 THR 36 9.016 12.185 0.441
254 1HG2 THR 36 1HG2 THR 36 5.533 11.745 -0.089
255 2HG2 THR 36 2HG2 THR 36 5.849 13.350 -0.767
256 3HG2 THR 36 3HG2 THR 36 5.640 11.950 -1.840
257 H THR 37 H THR 37 8.614 8.174 -1.401
258 HA THR 37 HA THR 37 11.352 8.376 -0.746
259 HB THR 37 HB THR 37 10.042 6.034 -1.712
260 HG1 THR 37 HG1 THR 37 10.884 6.934 0.891
261 1HG2 THR 37 1HG2 THR 37 12.775 6.456 -0.486
262 2HG2 THR 37 2HG2 THR 37 11.939 4.891 -0.438
263 3HG2 THR 37 3HG2 THR 37 12.383 5.568 -1.980
264 H THR 38 H THR 38 12.504 7.292 -2.515
265 HA THR 38 HA THR 38 12.540 8.481 -5.213
266 HB THR 38 HB THR 38 14.024 6.108 -4.318
267 HG1 THR 38 HG1 THR 38 14.792 8.824 -4.364
268 1HG2 THR 38 1HG2 THR 38 14.521 8.029 -6.636
269 2HG2 THR 38 2HG2 THR 38 15.567 6.669 -6.184
270 3HG2 THR 38 3HG2 THR 38 13.936 6.368 -6.811
271 H THR 39 H THR 39 11.727 5.221 -3.844
272 HA THR 39 HA THR 39 9.684 4.460 -5.686
273 HB THR 39 HB THR 39 11.990 2.739 -5.273
274 HG1 THR 39 HG1 THR 39 13.095 4.485 -6.116
275 1HG2 THR 39 1HG2 THR 39 11.428 1.955 -7.600
276 2HG2 THR 39 2HG2 THR 39 10.080 1.814 -6.466
277 3HG2 THR 39 3HG2 THR 39 10.125 3.173 -7.618
278 H CYS 40 H CYS 40 9.189 2.267 -4.921
279 HA CYS 40 HA CYS 40 8.400 2.323 -2.268
280 1HB CYS 40 1HB CYS 40 8.622 -0.095 -4.159
281 2HB CYS 40 2HB CYS 40 7.794 -0.138 -2.606
282 HA PRO 41 HA PRO 41 12.144 1.494 -0.192
283 1HB PRO 41 1HB PRO 41 11.228 1.498 2.407
284 2HB PRO 41 2HB PRO 41 11.220 2.943 1.363
285 1HG PRO 41 1HG PRO 41 8.965 0.987 1.871
286 2HG PRO 41 2HG PRO 41 8.941 2.761 2.040
287 1HD PRO 41 1HD PRO 41 8.060 1.592 -0.255
288 2HD PRO 41 2HD PRO 41 9.048 3.077 -0.318
289 H SER 42 H SER 42 13.125 0.147 1.408
290 HA SER 42 HA SER 42 12.991 -2.662 1.122
291 1HB SER 42 1HB SER 42 14.865 -1.228 1.978
292 2HB SER 42 2HB SER 42 13.918 -0.972 3.470
293 HG SER 42 HG SER 42 15.446 -2.697 3.661
294 H SER 43 H SER 43 11.295 -0.329 3.300
295 HA SER 43 HA SER 43 10.435 -2.226 5.259
296 1HB SER 43 2HB SER 43 9.660 0.523 4.545
297 2HB SER 43 1HB SER 43 9.057 -0.330 5.960
298 HG SER 43 HG SER 43 10.859 1.022 6.425
299 H HIS 44 H HIS 44 9.396 -1.146 2.158
300 HA HIS 44 HA HIS 44 6.914 -2.819 2.298
301 1HB HIS 44 1HB HIS 44 6.926 0.087 1.587
302 2HB HIS 44 2HB HIS 44 5.583 -1.008 1.327
303 HD1 HIS 44 HD1 HIS 44 7.587 0.476 4.235
304 HD2 HIS 44 HD2 HIS 44 3.960 -1.451 3.360
305 HE1 HIS 44 HE1 HIS 44 6.174 0.561 6.352
306 HE2 HIS 44 HE2 HIS 44 3.977 -0.677 5.874
307 HA PRO 45 HA PRO 45 9.602 -3.018 -1.521
308 1HB PRO 45 1HB PRO 45 9.352 -5.712 -2.173
309 2HB PRO 45 2HB PRO 45 10.474 -5.033 -0.966
310 1HG PRO 45 1HG PRO 45 7.710 -6.171 -0.473
311 2HG PRO 45 2HG PRO 45 9.234 -6.584 0.375
312 1HD PRO 45 1HD PRO 45 7.564 -4.834 1.474
313 2HD PRO 45 2HD PRO 45 9.295 -4.439 1.459
314 H SER 46 H SER 46 6.091 -3.907 -1.492
315 HA SER 46 HA SER 46 6.044 -4.010 -4.443
316 1HB SER 46 1HB SER 46 4.807 -5.722 -3.301
317 2HB SER 46 2HB SER 46 4.002 -4.583 -2.253
318 HG SER 46 HG SER 46 3.832 -4.768 -5.090
319 HXT SER 46 HO OH 47 4.120 -1.074 -4.887
Start of MODEL 15
1 1H LYS 1 1H LYS 1 1.491 8.578 -3.951
2 2H LYS 1 2H LYS 1 2.868 9.202 -3.285
3 3H LYS 1 3H LYS 1 2.659 9.218 -4.923
4 HA LYS 1 HA LYS 1 2.688 6.899 -5.029
5 1HB LYS 1 1HB LYS 1 4.895 8.543 -4.695
6 2HB LYS 1 2HB LYS 1 5.199 7.292 -3.498
7 1HG LYS 1 1HG LYS 1 4.697 6.830 -6.459
8 2HG LYS 1 2HG LYS 1 6.262 6.836 -5.633
9 1HD LYS 1 1HD LYS 1 5.324 4.933 -4.152
10 2HD LYS 1 2HD LYS 1 3.991 4.828 -5.302
11 1HE LYS 1 1HE LYS 1 5.579 3.211 -6.054
12 2HE LYS 1 2HE LYS 1 5.753 4.566 -7.166
13 1HZ LYS 1 1HZ LYS 1 7.483 4.028 -4.857
14 2HZ LYS 1 2HZ LYS 1 7.842 3.726 -6.437
15 3HZ LYS 1 3HZ LYS 1 7.654 5.276 -5.923
16 H SER 2 H SER 2 2.295 4.963 -4.078
17 HA SER 2 HA SER 2 2.303 4.613 -1.112
18 1HB SER 2 1HB SER 2 0.020 3.959 -3.029
19 2HB SER 2 2HB SER 2 0.135 3.433 -1.341
20 HG SER 2 HG SER 2 0.211 5.640 -0.743
21 H CYS 3 H CYS 3 3.192 2.777 -0.514
22 HA CYS 3 HA CYS 3 3.804 0.648 -2.505
23 1HB CYS 3 1HB CYS 3 5.673 2.155 -0.657
24 2HB CYS 3 2HB CYS 3 6.116 0.658 -1.467
25 H CYS 4 H CYS 4 3.722 -1.462 -1.674
26 HA CYS 4 HA CYS 4 2.617 -1.786 1.048
27 1HB CYS 4 1HB CYS 4 2.186 -3.077 -1.630
28 2HB CYS 4 2HB CYS 4 1.641 -3.795 -0.160
29 H ARG 5 H ARG 5 3.093 -3.528 2.266
30 HA ARG 5 HA ARG 5 5.776 -4.226 1.895
31 1HB ARG 5 1HB ARG 5 5.812 -5.291 3.988
32 2HB ARG 5 2HB ARG 5 5.132 -3.658 4.001
33 1HG ARG 5 1HG ARG 5 2.804 -4.761 4.033
34 2HG ARG 5 2HG ARG 5 3.643 -6.307 4.286
35 1HD ARG 5 1HD ARG 5 4.927 -5.185 6.175
36 2HD ARG 5 2HD ARG 5 3.909 -3.754 5.950
37 HE ARG 5 HE ARG 5 2.228 -6.028 6.283
38 1HH1 ARG 5 1HH1 ARG 5 4.402 -4.013 8.255
39 2HH1 ARG 5 2HH1 ARG 5 3.573 -4.387 9.750
40 1HH2 ARG 5 1HH2 ARG 5 1.201 -6.531 8.260
41 2HH2 ARG 5 2HH2 ARG 5 1.759 -5.816 9.753
42 H ASN 6 H ASN 6 3.229 -5.596 0.417
43 HA ASN 6 HA ASN 6 4.873 -7.030 -0.942
44 1HB ASN 6 1HB ASN 6 3.660 -9.446 -0.576
45 2HB ASN 6 2HB ASN 6 5.148 -8.997 0.224
46 1HD2 ASN 6 2HD2 ASN 6 1.829 -7.899 1.099
47 2HD2 ASN 6 1HD2 ASN 6 1.852 -8.623 2.695
48 H THR 7 H THR 7 3.875 -8.405 -2.514
49 HA THR 7 HA THR 7 2.084 -6.793 -4.114
50 HB THR 7 HB THR 7 3.133 -9.501 -4.449
51 HG1 THR 7 HG1 THR 7 3.852 -6.996 -5.555
52 1HG2 THR 7 1HG2 THR 7 2.428 -9.027 -6.869
53 2HG2 THR 7 2HG2 THR 7 1.082 -9.266 -5.736
54 3HG2 THR 7 3HG2 THR 7 1.541 -7.613 -6.223
55 H LEU 8 H LEU 8 1.803 -9.449 -1.853
56 HA LEU 8 HA LEU 8 -0.913 -10.204 -2.039
57 1HB LEU 8 1HB LEU 8 1.384 -10.681 -0.464
58 2HB LEU 8 2HB LEU 8 0.476 -9.800 0.630
59 HG LEU 8 HG LEU 8 -0.522 -12.362 -0.652
60 1HD1 LEU 8 1HD1 LEU 8 1.280 -12.644 1.052
61 2HD1 LEU 8 2HD1 LEU 8 0.337 -11.688 2.209
62 3HD1 LEU 8 3HD1 LEU 8 -0.273 -13.254 1.652
63 1HD2 LEU 8 1HD2 LEU 8 -1.827 -10.504 1.411
64 2HD2 LEU 8 2HD2 LEU 8 -2.432 -10.868 -0.217
65 3HD2 LEU 8 3HD2 LEU 8 -2.413 -12.131 1.015
66 H ALA 9 H ALA 9 0.858 -7.748 -0.407
67 HA ALA 9 HA ALA 9 -1.471 -6.782 1.155
68 1HB ALA 9 1HB ALA 9 0.012 -4.894 1.825
69 2HB ALA 9 2HB ALA 9 0.527 -6.547 2.269
70 3HB ALA 9 3HB ALA 9 1.300 -5.688 0.903
71 H ARG 10 H ARG 10 0.366 -5.603 -1.522
72 HA ARG 10 HA ARG 10 -1.031 -3.458 -2.548
73 1HB ARG 10 1HB ARG 10 1.162 -4.224 -3.183
74 2HB ARG 10 2HB ARG 10 0.492 -5.798 -3.560
75 1HG ARG 10 1HG ARG 10 1.168 -4.538 -5.578
76 2HG ARG 10 2HG ARG 10 -0.525 -5.065 -5.572
77 1HD ARG 10 1HD ARG 10 -0.251 -2.785 -6.280
78 2HD ARG 10 2HD ARG 10 -1.268 -2.965 -4.806
79 HE ARG 10 HE ARG 10 1.352 -2.386 -3.960
80 1HH1 ARG 10 1HH1 ARG 10 -1.318 -0.671 -5.573
81 2HH1 ARG 10 2HH1 ARG 10 -0.887 0.864 -4.860
82 1HH2 ARG 10 1HH2 ARG 10 1.872 -0.414 -3.053
83 2HH2 ARG 10 2HH2 ARG 10 0.953 1.019 -3.452
84 H ASN 11 H ASN 11 -1.651 -6.901 -2.819
85 HA ASN 11 HA ASN 11 -3.883 -6.570 -4.713
86 1HB ASN 11 1HB ASN 11 -3.028 -9.000 -3.106
87 2HB ASN 11 2HB ASN 11 -4.421 -8.966 -4.190
88 1HD2 ASN 11 2HD2 ASN 11 -2.395 -10.804 -4.598
89 2HD2 ASN 11 1HD2 ASN 11 -1.547 -10.391 -6.078
90 H CYS 12 H CYS 12 -3.785 -7.337 -1.218
91 HA CYS 12 HA CYS 12 -6.389 -6.879 -0.429
92 1HB CYS 12 1HB CYS 12 -4.770 -7.746 1.090
93 2HB CYS 12 2HB CYS 12 -3.730 -6.348 0.922
94 H TYR 13 H TYR 13 -3.817 -4.536 -0.896
95 HA TYR 13 HA TYR 13 -5.340 -2.238 -0.157
96 1HB TYR 13 1HB TYR 13 -2.909 -2.222 -0.141
97 2HB TYR 13 2HB TYR 13 -2.848 -2.544 -1.864
98 HD1 TYR 13 HD1 TYR 13 -3.150 0.054 0.676
99 HD2 TYR 13 HD2 TYR 13 -3.304 -0.796 -3.551
100 HE1 TYR 13 HE1 TYR 13 -2.829 2.470 0.176
101 HE2 TYR 13 HE2 TYR 13 -3.026 1.604 -4.054
102 HH TYR 13 HH TYR 13 -2.623 4.081 -1.482
103 H ASN 14 H ASN 14 -4.810 -3.617 -3.367
104 HA ASN 14 HA ASN 14 -6.343 -1.644 -4.829
105 1HB ASN 14 1HB ASN 14 -5.489 -4.476 -5.563
106 2HB ASN 14 2HB ASN 14 -6.204 -3.314 -6.682
107 1HD2 ASN 14 2HD2 ASN 14 -3.540 -4.679 -6.775
108 2HD2 ASN 14 1HD2 ASN 14 -2.368 -3.380 -6.880
109 H ALA 15 H ALA 15 -6.974 -4.582 -3.113
110 HA ALA 15 HA ALA 15 -9.717 -4.929 -3.990
111 1HB ALA 15 1HB ALA 15 -8.252 -6.096 -1.594
112 2HB ALA 15 2HB ALA 15 -9.821 -6.614 -2.205
113 3HB ALA 15 3HB ALA 15 -8.366 -6.854 -3.205
114 H CYS 16 H CYS 16 -8.134 -3.352 -1.083
115 HA CYS 16 HA CYS 16 -10.674 -2.849 0.180
116 1HB CYS 16 1HB CYS 16 -8.972 -2.753 1.701
117 2HB CYS 16 2HB CYS 16 -7.803 -2.089 0.573
118 H ARG 17 H ARG 17 -8.669 -1.402 -2.307
119 HA ARG 17 HA ARG 17 -10.025 1.134 -2.462
120 1HB ARG 17 2HB ARG 17 -7.640 0.618 -3.281
121 2HB ARG 17 1HB ARG 17 -8.385 -0.230 -4.625
122 1HG ARG 17 1HG ARG 17 -7.871 1.801 -5.551
123 2HG ARG 17 2HG ARG 17 -9.568 2.055 -5.135
124 1HD ARG 17 1HD ARG 17 -7.143 2.934 -3.482
125 2HD ARG 17 2HD ARG 17 -8.055 3.991 -4.550
126 HE ARG 17 HE ARG 17 -8.925 2.764 -1.986
127 1HH1 ARG 17 1HH1 ARG 17 -9.724 5.071 -4.589
128 2HH1 ARG 17 2HH1 ARG 17 -11.174 5.624 -3.790
129 1HH2 ARG 17 1HH2 ARG 17 -10.834 3.493 -1.012
130 2HH2 ARG 17 2HH2 ARG 17 -11.805 4.737 -1.762
131 H PHE 18 H PHE 18 -10.464 -2.058 -3.956
132 HA PHE 18 HA PHE 18 -12.682 -1.442 -5.640
133 1HB PHE 18 1HB PHE 18 -11.277 -3.665 -5.362
134 2HB PHE 18 2HB PHE 18 -12.396 -4.074 -4.126
135 HD1 PHE 18 HD1 PHE 18 -14.814 -4.428 -4.542
136 HD2 PHE 18 HD2 PHE 18 -12.017 -3.650 -7.750
137 HE1 PHE 18 HE1 PHE 18 -16.483 -5.237 -6.196
138 HE2 PHE 18 HE2 PHE 18 -13.692 -4.467 -9.400
139 HZ PHE 18 HZ PHE 18 -15.921 -5.275 -8.623
140 H THR 19 H THR 19 -12.485 -2.751 -2.262
141 HA THR 19 HA THR 19 -15.217 -2.830 -1.814
142 HB THR 19 HB THR 19 -14.689 -3.370 0.390
143 HG1 THR 19 HG1 THR 19 -12.400 -1.913 0.033
144 1HG2 THR 19 1HG2 THR 19 -13.902 -5.331 -0.202
145 2HG2 THR 19 2HG2 THR 19 -13.346 -4.692 -1.733
146 3HG2 THR 19 3HG2 THR 19 -12.274 -4.670 -0.311
147 H GLY 20 H GLY 20 -13.862 0.164 -2.198
148 1HA GLY 20 1HA GLY 20 -14.794 2.229 -1.743
149 2HA GLY 20 2HA GLY 20 -16.025 1.504 -0.707
150 H GLY 21 H GLY 21 -13.509 0.021 0.590
151 1HA GLY 21 1HA GLY 21 -12.762 1.437 2.817
152 2HA GLY 21 2HA GLY 21 -11.866 0.163 1.985
153 H SER 22 H SER 22 -11.865 3.304 2.754
154 HA SER 22 HA SER 22 -11.009 4.855 0.719
155 1HB SER 22 2HB SER 22 -10.487 5.220 3.587
156 2HB SER 22 1HB SER 22 -10.555 6.470 2.346
157 HG SER 22 HG SER 22 -12.712 4.855 3.193
158 H GLN 23 H GLN 23 -9.093 5.893 0.855
159 HA GLN 23 HA GLN 23 -6.886 4.202 -0.007
160 1HB GLN 23 1HB GLN 23 -6.467 7.191 0.351
161 2HB GLN 23 2HB GLN 23 -5.632 6.043 -0.672
162 1HG GLN 23 1HG GLN 23 -6.980 7.264 -2.140
163 2HG GLN 23 2HG GLN 23 -7.792 5.712 -1.958
164 1HE2 GLN 23 2HE2 GLN 23 -7.699 9.051 -0.528
165 2HE2 GLN 23 1HE2 GLN 23 -9.429 9.184 -0.280
166 HA PRO 24 HA PRO 24 -4.975 5.388 4.309
167 1HB PRO 24 1HB PRO 24 -7.743 5.915 5.572
168 2HB PRO 24 2HB PRO 24 -6.186 6.463 6.145
169 1HG PRO 24 1HG PRO 24 -7.779 8.155 4.748
170 2HG PRO 24 2HG PRO 24 -6.080 8.041 4.198
171 1HD PRO 24 1HD PRO 24 -8.458 6.410 3.229
172 2HD PRO 24 2HD PRO 24 -7.405 7.428 2.234
173 H THR 25 H THR 25 -8.247 4.171 4.435
174 HA THR 25 HA THR 25 -7.755 2.080 6.292
175 HB THR 25 HB THR 25 -9.725 2.360 4.137
176 HG1 THR 25 HG1 THR 25 -9.949 2.542 6.941
177 1HG2 THR 25 1HG2 THR 25 -11.011 0.434 5.297
178 2HG2 THR 25 2HG2 THR 25 -9.522 -0.092 4.510
179 3HG2 THR 25 3HG2 THR 25 -9.538 0.180 6.263
180 H CYS 26 H CYS 26 -7.227 2.115 2.863
181 HA CYS 26 HA CYS 26 -6.511 -0.702 2.702
182 1HB CYS 26 1HB CYS 26 -5.711 1.513 0.731
183 2HB CYS 26 2HB CYS 26 -5.777 -0.221 0.443
184 H GLY 27 H GLY 27 -4.666 2.294 2.760
185 1HA GLY 27 1HA GLY 27 -2.145 0.919 2.895
186 2HA GLY 27 2HA GLY 27 -2.379 2.622 3.303
187 H ILE 28 H ILE 28 -4.541 1.491 5.338
188 HA ILE 28 HA ILE 28 -2.679 0.888 7.484
189 HB ILE 28 HB ILE 28 -5.687 1.234 7.369
190 1HG1 ILE 28 1HG1 ILE 28 -3.674 2.969 8.900
191 2HG1 ILE 28 2HG1 ILE 28 -3.964 3.278 7.195
192 1HG2 ILE 28 1HG2 ILE 28 -5.369 -0.313 9.119
193 2HG2 ILE 28 2HG2 ILE 28 -3.974 0.585 9.754
194 3HG2 ILE 28 3HG2 ILE 28 -5.629 1.246 9.873
195 1HD1 ILE 28 1HD1 ILE 28 -6.065 3.360 9.386
196 2HD1 ILE 28 2HD1 ILE 28 -5.388 4.726 8.470
197 3HD1 ILE 28 3HD1 ILE 28 -6.396 3.519 7.645
198 H LEU 29 H LEU 29 -5.518 -0.655 6.103
199 HA LEU 29 HA LEU 29 -5.396 -2.775 8.057
200 1HB LEU 29 1HB LEU 29 -6.955 -2.725 5.435
201 2HB LEU 29 2HB LEU 29 -7.098 -3.996 6.649
202 HG LEU 29 HG LEU 29 -7.716 -1.093 7.083
203 1HD1 LEU 29 1HD1 LEU 29 -9.330 -2.270 5.574
204 2HD1 LEU 29 2HD1 LEU 29 -9.552 -3.538 6.791
205 3HD1 LEU 29 3HD1 LEU 29 -10.120 -1.893 7.117
206 1HD2 LEU 29 1HD2 LEU 29 -8.851 -1.907 9.211
207 2HD2 LEU 29 2HD2 LEU 29 -8.098 -3.491 8.936
208 3HD2 LEU 29 3HD2 LEU 29 -7.096 -2.055 9.245
209 H CYS 30 H CYS 30 -4.600 -2.355 4.748
210 HA CYS 30 HA CYS 30 -3.316 -4.999 4.388
211 1HB CYS 30 1HB CYS 30 -3.180 -2.592 2.529
212 2HB CYS 30 2HB CYS 30 -2.820 -4.246 2.170
213 H ASP 31 H ASP 31 -2.327 -2.119 5.964
214 HA ASP 31 HA ASP 31 -0.334 -1.233 6.515
215 1HB ASP 31 1HB ASP 31 0.678 -4.077 6.131
216 2HB ASP 31 2HB ASP 31 1.510 -2.784 6.987
217 HD2 ASP 31 HD2 ASP 31 -1.658 -4.651 8.715
218 H CYS 32 H CYS 32 -0.974 -0.585 4.046
219 HA CYS 32 HA CYS 32 1.608 -0.618 2.485
220 1HB CYS 32 1HB CYS 32 -1.008 -0.313 1.542
221 2HB CYS 32 2HB CYS 32 -0.370 1.338 1.562
222 H ILE 33 H ILE 33 2.312 1.876 1.861
223 HA ILE 33 HA ILE 33 1.764 3.718 4.135
224 HB ILE 33 HB ILE 33 4.220 4.366 3.990
225 1HG1 ILE 33 1HG1 ILE 33 4.576 1.676 2.627
226 2HG1 ILE 33 2HG1 ILE 33 4.544 3.198 1.717
227 1HG2 ILE 33 1HG2 ILE 33 3.293 2.998 5.839
228 2HG2 ILE 33 2HG2 ILE 33 3.699 1.533 4.940
229 3HG2 ILE 33 3HG2 ILE 33 4.983 2.626 5.499
230 1HD1 ILE 33 1HD1 ILE 33 6.519 2.413 3.871
231 2HD1 ILE 33 2HD1 ILE 33 6.793 2.490 2.120
232 3HD1 ILE 33 3HD1 ILE 33 6.470 3.983 3.047
233 H HIS 34 H HIS 34 3.242 5.836 3.212
234 HA HIS 34 HA HIS 34 2.617 6.198 0.388
235 1HB HIS 34 1HB HIS 34 0.757 7.306 1.627
236 2HB HIS 34 2HB HIS 34 1.931 8.279 2.511
237 HD1 HIS 34 HD1 HIS 34 3.573 9.810 0.818
238 HD2 HIS 34 HD2 HIS 34 -0.111 8.406 -0.681
239 HE1 HIS 34 HE1 HIS 34 3.010 11.210 -1.251
240 HE2 HIS 34 HE2 HIS 34 0.768 10.378 -2.162
241 H VAL 35 H VAL 35 4.503 6.549 -0.543
242 HA VAL 35 HA VAL 35 6.734 7.793 1.020
243 HB VAL 35 HB VAL 35 8.242 6.920 -0.491
244 1HG1 VAL 35 1HG1 VAL 35 6.640 4.705 0.666
245 2HG1 VAL 35 2HG1 VAL 35 8.361 4.704 0.223
246 3HG1 VAL 35 3HG1 VAL 35 7.825 5.757 1.535
247 1HG2 VAL 35 1HG2 VAL 35 7.272 6.506 -2.580
248 2HG2 VAL 35 2HG2 VAL 35 7.662 4.904 -1.906
249 3HG2 VAL 35 3HG2 VAL 35 6.001 5.460 -1.862
250 H THR 36 H THR 36 7.850 9.375 0.254
251 HA THR 36 HA THR 36 7.503 10.227 -2.549
252 HB THR 36 HB THR 36 8.214 12.510 -1.993
253 HG1 THR 36 HG1 THR 36 8.073 13.174 0.196
254 1HG2 THR 36 1HG2 THR 36 6.037 13.261 -1.160
255 2HG2 THR 36 2HG2 THR 36 5.815 11.870 -2.250
256 3HG2 THR 36 3HG2 THR 36 5.693 11.649 -0.496
257 H THR 37 H THR 37 8.776 8.023 -1.791
258 HA THR 37 HA THR 37 11.426 8.174 -1.135
259 HB THR 37 HB THR 37 11.540 5.948 -2.200
260 HG1 THR 37 HG1 THR 37 9.734 6.221 -3.445
261 1HG2 THR 37 1HG2 THR 37 10.564 4.889 -0.251
262 2HG2 THR 37 2HG2 THR 37 11.768 6.130 0.058
263 3HG2 THR 37 3HG2 THR 37 10.083 6.501 0.349
264 H THR 38 H THR 38 12.714 7.172 -2.866
265 HA THR 38 HA THR 38 12.870 8.237 -5.611
266 HB THR 38 HB THR 38 14.255 5.869 -4.571
267 HG1 THR 38 HG1 THR 38 16.000 7.310 -4.280
268 1HG2 THR 38 1HG2 THR 38 14.223 6.049 -7.069
269 2HG2 THR 38 2HG2 THR 38 14.886 7.684 -6.940
270 3HG2 THR 38 3HG2 THR 38 15.854 6.291 -6.417
271 H THR 39 H THR 39 11.811 5.078 -4.027
272 HA THR 39 HA THR 39 9.931 4.257 -5.970
273 HB THR 39 HB THR 39 12.230 2.581 -5.442
274 HG1 THR 39 HG1 THR 39 12.330 4.492 -7.529
275 1HG2 THR 39 1HG2 THR 39 10.413 1.560 -6.653
276 2HG2 THR 39 2HG2 THR 39 10.401 2.911 -7.822
277 3HG2 THR 39 3HG2 THR 39 11.765 1.750 -7.780
278 H CYS 40 H CYS 40 9.376 2.094 -5.233
279 HA CYS 40 HA CYS 40 8.475 2.181 -2.615
280 1HB CYS 40 1HB CYS 40 8.535 -0.164 -4.559
281 2HB CYS 40 2HB CYS 40 7.799 -0.269 -2.966
282 HA PRO 41 HA PRO 41 12.171 1.402 -0.515
283 1HB PRO 41 2HB PRO 41 10.817 0.697 1.965
284 2HB PRO 41 1HB PRO 41 11.622 2.178 1.590
285 1HG PRO 41 1HG PRO 41 8.810 1.269 1.609
286 2HG PRO 41 2HG PRO 41 9.413 2.918 1.585
287 1HD PRO 41 1HD PRO 41 8.170 1.611 -0.569
288 2HD PRO 41 2HD PRO 41 9.288 2.984 -0.754
289 H SER 42 H SER 42 13.271 0.077 1.026
290 HA SER 42 HA SER 42 13.262 -2.782 0.910
291 1HB SER 42 1HB SER 42 14.204 -0.773 3.002
292 2HB SER 42 2HB SER 42 14.539 -2.516 3.047
293 HG SER 42 HG SER 42 16.246 -1.329 2.087
294 H SER 43 H SER 43 11.605 -0.281 3.096
295 HA SER 43 HA SER 43 10.738 -2.233 4.980
296 1HB SER 43 1HB SER 43 9.514 -0.349 5.875
297 2HB SER 43 2HB SER 43 11.128 0.201 5.428
298 HG SER 43 HG SER 43 9.480 1.642 4.752
299 H HIS 44 H HIS 44 9.540 -1.077 1.970
300 HA HIS 44 HA HIS 44 7.062 -2.757 2.162
301 1HB HIS 44 1HB HIS 44 7.007 0.201 1.562
302 2HB HIS 44 2HB HIS 44 5.732 -0.919 1.197
303 HD1 HIS 44 HD1 HIS 44 7.671 0.269 4.307
304 HD2 HIS 44 HD2 HIS 44 4.045 -1.505 3.140
305 HE1 HIS 44 HE1 HIS 44 6.239 0.033 6.413
306 HE2 HIS 44 HE2 HIS 44 4.019 -1.063 5.719
307 HA PRO 45 HA PRO 45 9.610 -3.000 -1.789
308 1HB PRO 45 1HB PRO 45 9.201 -5.668 -2.426
309 2HB PRO 45 2HB PRO 45 10.424 -5.056 -1.286
310 1HG PRO 45 1HG PRO 45 7.643 -6.071 -0.630
311 2HG PRO 45 2HG PRO 45 9.191 -6.555 0.120
312 1HD PRO 45 1HD PRO 45 7.675 -4.749 1.323
313 2HD PRO 45 2HD PRO 45 9.410 -4.419 1.203
314 H SER 46 H SER 46 6.108 -3.948 -1.562
315 HA SER 46 HA SER 46 5.876 -3.954 -4.503
316 1HB SER 46 1HB SER 46 4.764 -5.742 -3.289
317 2HB SER 46 2HB SER 46 3.951 -4.629 -2.231
318 HG SER 46 HG SER 46 2.989 -3.797 -4.235
319 HXT SER 46 HO OH 47 3.651 -1.126 -4.605
Start of MODEL 16
1 1H LYS 1 1H LYS 1 4.448 8.959 -3.563
2 2H LYS 1 2H LYS 1 4.053 9.109 -5.156
3 3H LYS 1 3H LYS 1 2.865 9.078 -4.015
4 HA LYS 1 HA LYS 1 2.968 7.035 -5.160
5 1HB LYS 1 1HB LYS 1 5.377 7.313 -5.709
6 2HB LYS 1 2HB LYS 1 5.761 6.660 -4.123
7 1HG LYS 1 1HG LYS 1 3.785 5.074 -5.766
8 2HG LYS 1 2HG LYS 1 5.359 5.215 -6.491
9 1HD LYS 1 1HD LYS 1 4.982 4.284 -3.604
10 2HD LYS 1 2HD LYS 1 4.950 3.178 -4.980
11 1HE LYS 1 1HE LYS 1 7.303 5.002 -4.255
12 2HE LYS 1 2HE LYS 1 7.162 3.283 -3.893
13 1HZ LYS 1 1HZ LYS 1 8.419 3.605 -5.845
14 2HZ LYS 1 2HZ LYS 1 6.977 2.922 -6.277
15 3HZ LYS 1 3HZ LYS 1 7.245 4.528 -6.540
16 H SER 2 H SER 2 2.675 4.937 -4.118
17 HA SER 2 HA SER 2 2.505 4.811 -1.158
18 1HB SER 2 1HB SER 2 0.144 4.494 -3.071
19 2HB SER 2 2HB SER 2 0.150 3.948 -1.385
20 HG SER 2 HG SER 2 0.547 6.097 -0.764
21 H CYS 3 H CYS 3 3.338 2.948 -0.505
22 HA CYS 3 HA CYS 3 3.669 0.852 -2.557
23 1HB CYS 3 1HB CYS 3 5.714 2.221 -2.206
24 2HB CYS 3 2HB CYS 3 5.801 1.539 -0.573
25 H CYS 4 H CYS 4 3.649 -1.373 -1.734
26 HA CYS 4 HA CYS 4 2.427 -1.771 0.931
27 1HB CYS 4 1HB CYS 4 2.226 -3.099 -1.796
28 2HB CYS 4 2HB CYS 4 1.534 -3.781 -0.358
29 H ARG 5 H ARG 5 2.806 -3.526 2.138
30 HA ARG 5 HA ARG 5 5.433 -4.181 2.378
31 1HB ARG 5 1HB ARG 5 3.443 -6.288 3.109
32 2HB ARG 5 2HB ARG 5 4.959 -5.824 3.902
33 1HG ARG 5 1HG ARG 5 2.402 -4.172 3.904
34 2HG ARG 5 2HG ARG 5 2.735 -5.433 5.079
35 1HD ARG 5 1HD ARG 5 4.628 -3.097 4.585
36 2HD ARG 5 2HD ARG 5 3.445 -3.135 5.919
37 HE ARG 5 HE ARG 5 5.086 -5.461 5.932
38 1HH1 ARG 5 1HH1 ARG 5 5.259 -1.992 6.726
39 2HH1 ARG 5 2HH1 ARG 5 6.613 -2.192 7.812
40 1HH2 ARG 5 1HH2 ARG 5 6.825 -5.689 7.395
41 2HH2 ARG 5 2HH2 ARG 5 7.475 -4.292 8.224
42 H ASN 6 H ASN 6 3.000 -5.538 0.253
43 HA ASN 6 HA ASN 6 4.731 -7.292 -1.071
44 1HB ASN 6 1HB ASN 6 2.533 -8.215 0.874
45 2HB ASN 6 2HB ASN 6 2.925 -9.224 -0.515
46 1HD2 ASN 6 2HD2 ASN 6 3.107 -9.778 2.265
47 2HD2 ASN 6 1HD2 ASN 6 4.754 -10.357 2.528
48 H THR 7 H THR 7 3.502 -8.624 -2.393
49 HA THR 7 HA THR 7 2.017 -6.920 -4.262
50 HB THR 7 HB THR 7 2.927 -9.698 -4.410
51 HG1 THR 7 HG1 THR 7 3.921 -7.306 -5.560
52 1HG2 THR 7 1HG2 THR 7 0.964 -9.305 -5.834
53 2HG2 THR 7 2HG2 THR 7 1.660 -7.759 -6.395
54 3HG2 THR 7 3HG2 THR 7 2.403 -9.309 -6.890
55 H LEU 8 H LEU 8 1.563 -9.560 -2.036
56 HA LEU 8 HA LEU 8 -1.184 -10.106 -2.212
57 1HB LEU 8 1HB LEU 8 1.074 -10.745 -0.632
58 2HB LEU 8 2HB LEU 8 0.239 -9.801 0.476
59 HG LEU 8 HG LEU 8 -0.915 -12.311 -0.799
60 1HD1 LEU 8 1HD1 LEU 8 0.850 -12.668 0.921
61 2HD1 LEU 8 2HD1 LEU 8 -0.038 -11.639 2.061
62 3HD1 LEU 8 3HD1 LEU 8 -0.738 -13.185 1.521
63 1HD2 LEU 8 1HD2 LEU 8 -2.137 -10.350 1.215
64 2HD2 LEU 8 2HD2 LEU 8 -2.748 -10.730 -0.406
65 3HD2 LEU 8 3HD2 LEU 8 -2.793 -11.962 0.861
66 H ALA 9 H ALA 9 0.727 -7.775 -0.549
67 HA ALA 9 HA ALA 9 -1.553 -6.696 0.988
68 1HB ALA 9 1HB ALA 9 -0.048 -4.886 1.644
69 2HB ALA 9 2HB ALA 9 0.515 -6.546 2.028
70 3HB ALA 9 3HB ALA 9 1.196 -5.650 0.633
71 H ARG 10 H ARG 10 0.244 -5.654 -1.804
72 HA ARG 10 HA ARG 10 -1.229 -3.355 -2.608
73 1HB ARG 10 1HB ARG 10 0.857 -3.859 -3.415
74 2HB ARG 10 2HB ARG 10 0.386 -5.445 -4.006
75 1HG ARG 10 1HG ARG 10 -1.007 -4.584 -5.731
76 2HG ARG 10 2HG ARG 10 -1.055 -2.942 -5.030
77 1HD ARG 10 1HD ARG 10 1.473 -4.348 -5.823
78 2HD ARG 10 2HD ARG 10 0.512 -3.346 -6.937
79 HE ARG 10 HE ARG 10 1.428 -2.264 -4.278
80 1HH1 ARG 10 1HH1 ARG 10 1.399 -1.704 -7.789
81 2HH1 ARG 10 2HH1 ARG 10 1.964 -0.060 -7.604
82 1HH2 ARG 10 1HH2 ARG 10 2.204 -0.240 -4.083
83 2HH2 ARG 10 2HH2 ARG 10 2.407 0.793 -5.478
84 H ASN 11 H ASN 11 -1.645 -6.759 -3.183
85 HA ASN 11 HA ASN 11 -4.002 -6.491 -4.895
86 1HB ASN 11 1HB ASN 11 -3.085 -8.901 -3.285
87 2HB ASN 11 2HB ASN 11 -4.479 -8.903 -4.364
88 1HD2 ASN 11 2HD2 ASN 11 -2.479 -10.713 -4.813
89 2HD2 ASN 11 1HD2 ASN 11 -1.619 -10.288 -6.278
90 H CYS 12 H CYS 12 -3.893 -7.312 -1.415
91 HA CYS 12 HA CYS 12 -6.474 -6.939 -0.584
92 1HB CYS 12 1HB CYS 12 -4.776 -7.812 0.872
93 2HB CYS 12 2HB CYS 12 -3.799 -6.362 0.715
94 H TYR 13 H TYR 13 -3.958 -4.533 -0.939
95 HA TYR 13 HA TYR 13 -5.505 -2.281 -0.134
96 1HB TYR 13 1HB TYR 13 -3.141 -2.176 -0.045
97 2HB TYR 13 2HB TYR 13 -2.975 -2.595 -1.734
98 HD1 TYR 13 HD1 TYR 13 -3.331 0.149 0.612
99 HD2 TYR 13 HD2 TYR 13 -3.236 -0.990 -3.540
100 HE1 TYR 13 HE1 TYR 13 -2.851 2.507 -0.020
101 HE2 TYR 13 HE2 TYR 13 -2.749 1.350 -4.182
102 HH TYR 13 HH TYR 13 -2.477 3.996 -1.765
103 H ASN 14 H ASN 14 -4.968 -3.529 -3.406
104 HA ASN 14 HA ASN 14 -6.522 -1.500 -4.764
105 1HB ASN 14 1HB ASN 14 -5.622 -4.288 -5.617
106 2HB ASN 14 2HB ASN 14 -6.392 -3.109 -6.689
107 1HD2 ASN 14 2HD2 ASN 14 -3.709 -4.351 -6.920
108 2HD2 ASN 14 1HD2 ASN 14 -2.578 -3.020 -6.989
109 H ALA 15 H ALA 15 -7.098 -4.542 -3.223
110 HA ALA 15 HA ALA 15 -9.859 -4.882 -4.059
111 1HB ALA 15 1HB ALA 15 -8.500 -6.806 -3.318
112 2HB ALA 15 2HB ALA 15 -8.370 -6.091 -1.697
113 3HB ALA 15 3HB ALA 15 -9.953 -6.589 -2.305
114 H CYS 16 H CYS 16 -8.268 -3.395 -1.101
115 HA CYS 16 HA CYS 16 -10.798 -2.843 0.147
116 1HB CYS 16 1HB CYS 16 -9.092 -2.818 1.663
117 2HB CYS 16 2HB CYS 16 -7.905 -2.144 0.557
118 H ARG 17 H ARG 17 -8.770 -1.392 -2.339
119 HA ARG 17 HA ARG 17 -10.153 1.144 -2.426
120 1HB ARG 17 2HB ARG 17 -7.732 0.684 -3.203
121 2HB ARG 17 1HB ARG 17 -8.443 -0.099 -4.605
122 1HG ARG 17 1HG ARG 17 -7.917 2.002 -5.398
123 2HG ARG 17 2HG ARG 17 -9.632 2.201 -5.016
124 1HD ARG 17 1HD ARG 17 -7.245 3.026 -3.284
125 2HD ARG 17 2HD ARG 17 -8.197 4.125 -4.270
126 HE ARG 17 HE ARG 17 -8.996 2.723 -1.779
127 1HH1 ARG 17 1HH1 ARG 17 -9.970 5.082 -4.281
128 2HH1 ARG 17 2HH1 ARG 17 -11.454 5.484 -3.454
129 1HH2 ARG 17 1HH2 ARG 17 -10.952 3.249 -0.781
130 2HH2 ARG 17 2HH2 ARG 17 -12.003 4.462 -1.476
131 H PHE 18 H PHE 18 -10.573 -2.029 -3.946
132 HA PHE 18 HA PHE 18 -12.774 -1.376 -5.650
133 1HB PHE 18 1HB PHE 18 -11.420 -3.638 -5.350
134 2HB PHE 18 2HB PHE 18 -12.551 -4.008 -4.121
135 HD1 PHE 18 HD1 PHE 18 -14.993 -4.235 -4.523
136 HD2 PHE 18 HD2 PHE 18 -12.150 -3.702 -7.738
137 HE1 PHE 18 HE1 PHE 18 -16.685 -5.030 -6.157
138 HE2 PHE 18 HE2 PHE 18 -13.844 -4.500 -9.361
139 HZ PHE 18 HZ PHE 18 -16.122 -5.151 -8.583
140 H THR 19 H THR 19 -12.591 -2.701 -2.263
141 HA THR 19 HA THR 19 -15.325 -2.378 -1.706
142 HB THR 19 HB THR 19 -14.844 -3.086 0.387
143 HG1 THR 19 HG1 THR 19 -12.438 -1.783 0.213
144 1HG2 THR 19 1HG2 THR 19 -13.714 -4.533 -1.662
145 2HG2 THR 19 2HG2 THR 19 -12.426 -4.463 -0.437
146 3HG2 THR 19 3HG2 THR 19 -14.006 -5.089 -0.014
147 H GLY 20 H GLY 20 -15.908 -1.246 0.512
148 1HA GLY 20 1HA GLY 20 -15.861 1.680 0.047
149 2HA GLY 20 2HA GLY 20 -16.873 0.771 1.173
150 H GLY 21 H GLY 21 -13.454 0.158 0.883
151 1HA GLY 21 1HA GLY 21 -12.723 1.265 3.521
152 2HA GLY 21 2HA GLY 21 -11.875 0.012 2.600
153 H SER 22 H SER 22 -11.985 3.297 3.206
154 HA SER 22 HA SER 22 -11.224 4.637 0.949
155 1HB SER 22 2HB SER 22 -10.590 5.215 3.753
156 2HB SER 22 1HB SER 22 -10.604 6.366 2.443
157 HG SER 22 HG SER 22 -12.844 4.965 3.459
158 H GLN 23 H GLN 23 -9.217 5.735 1.171
159 HA GLN 23 HA GLN 23 -7.061 4.022 0.203
160 1HB GLN 23 1HB GLN 23 -6.790 7.019 0.688
161 2HB GLN 23 2HB GLN 23 -5.807 5.975 -0.338
162 1HG GLN 23 1HG GLN 23 -7.844 5.493 -1.708
163 2HG GLN 23 2HG GLN 23 -8.747 6.677 -0.758
164 1HE2 GLN 23 2HE2 GLN 23 -7.647 8.950 -0.636
165 2HE2 GLN 23 1HE2 GLN 23 -6.950 9.540 -2.132
166 HA PRO 24 HA PRO 24 -5.045 5.158 4.469
167 1HB PRO 24 1HB PRO 24 -7.723 5.648 5.932
168 2HB PRO 24 2HB PRO 24 -6.152 6.286 6.328
169 1HG PRO 24 1HG PRO 24 -7.997 7.835 5.049
170 2HG PRO 24 2HG PRO 24 -6.341 7.837 4.349
171 1HD PRO 24 2HD PRO 24 -8.620 5.941 3.678
172 2HD PRO 24 1HD PRO 24 -7.890 7.042 2.546
173 H THR 25 H THR 25 -8.305 3.978 4.714
174 HA THR 25 HA THR 25 -7.810 1.781 6.451
175 HB THR 25 HB THR 25 -9.795 2.185 4.341
176 HG1 THR 25 HG1 THR 25 -9.966 3.478 6.178
177 1HG2 THR 25 1HG2 THR 25 -11.063 0.205 5.445
178 2HG2 THR 25 2HG2 THR 25 -9.597 -0.276 4.596
179 3HG2 THR 25 3HG2 THR 25 -9.571 -0.093 6.356
180 H CYS 26 H CYS 26 -7.319 1.994 3.009
181 HA CYS 26 HA CYS 26 -6.571 -0.805 2.702
182 1HB CYS 26 1HB CYS 26 -5.782 1.491 0.854
183 2HB CYS 26 2HB CYS 26 -5.824 -0.224 0.484
184 H GLY 27 H GLY 27 -4.629 2.136 2.794
185 1HA GLY 27 1HA GLY 27 -2.188 0.734 3.101
186 2HA GLY 27 2HA GLY 27 -2.427 2.435 3.553
187 H ILE 28 H ILE 28 -4.675 1.242 5.479
188 HA ILE 28 HA ILE 28 -2.845 0.525 7.621
189 HB ILE 28 HB ILE 28 -5.858 0.850 7.534
190 1HG1 ILE 28 1HG1 ILE 28 -3.867 2.539 9.150
191 2HG1 ILE 28 2HG1 ILE 28 -4.127 2.916 7.452
192 1HG2 ILE 28 1HG2 ILE 28 -5.510 -0.772 9.211
193 2HG2 ILE 28 2HG2 ILE 28 -4.115 0.107 9.868
194 3HG2 ILE 28 3HG2 ILE 28 -5.774 0.748 10.046
195 1HD1 ILE 28 1HD1 ILE 28 -5.590 4.291 8.806
196 2HD1 ILE 28 2HD1 ILE 28 -6.558 3.146 7.854
197 3HD1 ILE 28 3HD1 ILE 28 -6.294 2.856 9.585
198 H LEU 29 H LEU 29 -5.650 -0.961 6.127
199 HA LEU 29 HA LEU 29 -5.525 -3.203 7.939
200 1HB LEU 29 1HB LEU 29 -7.026 -2.996 5.294
201 2HB LEU 29 2HB LEU 29 -7.188 -4.347 6.427
202 HG LEU 29 HG LEU 29 -7.846 -1.483 7.028
203 1HD1 LEU 29 1HD1 LEU 29 -9.421 -2.552 5.401
204 2HD1 LEU 29 2HD1 LEU 29 -9.661 -3.908 6.515
205 3HD1 LEU 29 3HD1 LEU 29 -10.232 -2.291 6.955
206 1HD2 LEU 29 1HD2 LEU 29 -8.270 -3.993 8.710
207 2HD2 LEU 29 2HD2 LEU 29 -7.271 -2.589 9.131
208 3HD2 LEU 29 3HD2 LEU 29 -9.020 -2.423 9.058
209 H CYS 30 H CYS 30 -4.649 -2.517 4.698
210 HA CYS 30 HA CYS 30 -3.215 -5.076 4.231
211 1HB CYS 30 1HB CYS 30 -3.315 -2.677 2.380
212 2HB CYS 30 2HB CYS 30 -2.916 -4.329 2.017
213 H ASP 31 H ASP 31 -2.388 -2.240 5.925
214 HA ASP 31 HA ASP 31 -0.429 -1.385 6.606
215 1HB ASP 31 1HB ASP 31 0.703 -4.107 5.822
216 2HB ASP 31 2HB ASP 31 1.409 -2.968 6.960
217 HD2 ASP 31 HD2 ASP 31 0.008 -2.346 8.763
218 H CYS 32 H CYS 32 -1.080 -0.628 4.041
219 HA CYS 32 HA CYS 32 1.595 -0.350 2.601
220 1HB CYS 32 1HB CYS 32 -1.044 0.559 1.448
221 2HB CYS 32 2HB CYS 32 0.500 0.475 0.689
222 H ILE 33 H ILE 33 2.090 2.009 1.748
223 HA ILE 33 HA ILE 33 1.416 3.986 3.894
224 HB ILE 33 HB ILE 33 3.882 4.536 3.890
225 1HG1 ILE 33 1HG1 ILE 33 4.263 1.840 2.546
226 2HG1 ILE 33 2HG1 ILE 33 4.288 3.354 1.632
227 1HG2 ILE 33 1HG2 ILE 33 2.838 3.259 5.682
228 2HG2 ILE 33 2HG2 ILE 33 3.150 1.750 4.821
229 3HG2 ILE 33 3HG2 ILE 33 4.501 2.736 5.416
230 1HD1 ILE 33 1HD1 ILE 33 6.182 2.689 3.922
231 2HD1 ILE 33 2HD1 ILE 33 6.541 2.597 2.189
232 3HD1 ILE 33 3HD1 ILE 33 6.177 4.164 2.950
233 H HIS 34 H HIS 34 2.984 6.016 3.058
234 HA HIS 34 HA HIS 34 2.674 6.351 0.193
235 1HB HIS 34 1HB HIS 34 0.717 7.570 1.194
236 2HB HIS 34 2HB HIS 34 1.831 8.523 2.173
237 HD1 HIS 34 HD1 HIS 34 0.243 8.344 -1.175
238 HD2 HIS 34 HD2 HIS 34 3.609 10.208 0.562
239 HE1 HIS 34 HE1 HIS 34 1.020 10.171 -2.790
240 HE2 HIS 34 HE2 HIS 34 3.065 11.313 -1.737
241 H VAL 35 H VAL 35 4.551 6.613 -0.596
242 HA VAL 35 HA VAL 35 6.651 7.962 1.022
243 HB VAL 35 HB VAL 35 8.267 7.057 -0.301
244 1HG1 VAL 35 1HG1 VAL 35 6.778 4.731 0.737
245 2HG1 VAL 35 2HG1 VAL 35 8.536 4.958 0.554
246 3HG1 VAL 35 3HG1 VAL 35 7.673 5.939 1.750
247 1HG2 VAL 35 1HG2 VAL 35 6.327 5.257 -1.704
248 2HG2 VAL 35 2HG2 VAL 35 7.374 6.530 -2.431
249 3HG2 VAL 35 3HG2 VAL 35 8.095 5.085 -1.721
250 H THR 36 H THR 36 7.548 9.588 0.288
251 HA THR 36 HA THR 36 7.594 10.250 -2.592
252 HB THR 36 HB THR 36 8.165 12.574 -2.076
253 HG1 THR 36 HG1 THR 36 7.411 11.911 0.587
254 1HG2 THR 36 1HG2 THR 36 5.487 11.727 -0.868
255 2HG2 THR 36 2HG2 THR 36 5.884 13.319 -1.558
256 3HG2 THR 36 3HG2 THR 36 5.824 11.877 -2.601
257 H THR 37 H THR 37 8.782 8.161 -1.662
258 HA THR 37 HA THR 37 11.426 8.523 -0.729
259 HB THR 37 HB THR 37 10.287 6.078 -1.652
260 HG1 THR 37 HG1 THR 37 10.945 7.167 0.926
261 1HG2 THR 37 1HG2 THR 37 12.132 5.074 -0.182
262 2HG2 THR 37 2HG2 THR 37 12.658 5.634 -1.746
263 3HG2 THR 37 3HG2 THR 37 12.946 6.646 -0.309
264 H THR 38 H THR 38 12.795 7.365 -2.291
265 HA THR 38 HA THR 38 13.179 8.379 -5.022
266 HB THR 38 HB THR 38 14.417 5.994 -3.839
267 HG1 THR 38 HG1 THR 38 15.339 8.667 -3.938
268 1HG2 THR 38 1HG2 THR 38 14.626 6.087 -6.315
269 2HG2 THR 38 2HG2 THR 38 15.276 7.729 -6.198
270 3HG2 THR 38 3HG2 THR 38 16.192 6.362 -5.538
271 H THR 39 H THR 39 12.128 5.184 -3.609
272 HA THR 39 HA THR 39 10.101 4.578 -5.498
273 HB THR 39 HB THR 39 12.234 2.671 -5.044
274 HG1 THR 39 HG1 THR 39 13.517 4.313 -5.828
275 1HG2 THR 39 1HG2 THR 39 11.679 1.950 -7.388
276 2HG2 THR 39 2HG2 THR 39 10.283 1.920 -6.303
277 3HG2 THR 39 3HG2 THR 39 10.483 3.279 -7.437
278 H CYS 40 H CYS 40 9.411 2.435 -4.775
279 HA CYS 40 HA CYS 40 8.445 2.067 -2.259
280 1HB CYS 40 1HB CYS 40 9.352 0.177 -4.465
281 2HB CYS 40 2HB CYS 40 8.892 -0.540 -2.941
282 HA PRO 41 HA PRO 41 12.310 1.536 0.119
283 1HB PRO 41 1HB PRO 41 11.280 1.603 2.610
284 2HB PRO 41 2HB PRO 41 11.282 3.024 1.534
285 1HG PRO 41 1HG PRO 41 9.017 1.071 1.989
286 2HG PRO 41 2HG PRO 41 8.969 2.855 2.074
287 1HD PRO 41 1HD PRO 41 8.212 1.576 -0.186
288 2HD PRO 41 2HD PRO 41 9.139 3.091 -0.277
289 H SER 42 H SER 42 13.018 0.263 1.935
290 HA SER 42 HA SER 42 13.069 -2.558 1.519
291 1HB SER 42 1HB SER 42 13.703 -0.800 3.927
292 2HB SER 42 2HB SER 42 14.105 -2.528 3.807
293 HG SER 42 HG SER 42 15.371 -2.010 1.959
294 H SER 43 H SER 43 11.024 -0.373 3.469
295 HA SER 43 HA SER 43 10.050 -2.491 5.259
296 1HB SER 43 2HB SER 43 10.411 -0.214 6.055
297 2HB SER 43 1HB SER 43 9.113 0.275 4.967
298 HG SER 43 HG SER 43 7.749 -1.216 6.104
299 H HIS 44 H HIS 44 9.209 -1.025 2.294
300 HA HIS 44 HA HIS 44 6.718 -2.702 1.999
301 1HB HIS 44 1HB HIS 44 6.912 0.279 1.444
302 2HB HIS 44 2HB HIS 44 5.573 -0.774 1.004
303 HD1 HIS 44 HD1 HIS 44 7.390 0.529 4.093
304 HD2 HIS 44 HD2 HIS 44 3.763 -1.276 2.978
305 HE1 HIS 44 HE1 HIS 44 5.932 0.447 6.181
306 HE2 HIS 44 HE2 HIS 44 3.686 -0.625 5.501
307 HA PRO 45 HA PRO 45 9.532 -2.956 -1.716
308 1HB PRO 45 1HB PRO 45 9.068 -5.575 -2.425
309 2HB PRO 45 2HB PRO 45 10.177 -5.078 -1.117
310 1HG PRO 45 1HG PRO 45 7.257 -5.867 -0.848
311 2HG PRO 45 2HG PRO 45 8.647 -6.566 0.037
312 1HD PRO 45 1HD PRO 45 7.242 -4.599 1.206
313 2HD PRO 45 2HD PRO 45 9.001 -4.509 1.250
314 H SER 46 H SER 46 5.967 -3.905 -1.632
315 HA SER 46 HA SER 46 5.980 -4.329 -4.507
316 1HB SER 46 1HB SER 46 4.738 -5.876 -3.337
317 2HB SER 46 2HB SER 46 4.090 -4.721 -2.204
318 HG SER 46 HG SER 46 3.509 -4.932 -4.991
319 HXT SER 46 HO OH 47 4.979 -1.204 -5.558
Start of MODEL 17
1 1H LYS 1 1H LYS 1 3.504 9.533 -4.883
2 2H LYS 1 2H LYS 1 2.203 8.987 -4.036
3 3H LYS 1 3H LYS 1 3.500 9.612 -3.239
4 HA LYS 1 HA LYS 1 3.460 7.203 -4.857
5 1HB LYS 1 1HB LYS 1 5.687 8.836 -4.171
6 2HB LYS 1 2HB LYS 1 5.784 7.451 -3.099
7 1HG LYS 1 1HG LYS 1 5.607 7.324 -6.134
8 2HG LYS 1 2HG LYS 1 7.068 7.163 -5.153
9 1HD LYS 1 1HD LYS 1 5.934 5.184 -3.987
10 2HD LYS 1 2HD LYS 1 4.683 5.270 -5.230
11 1HE LYS 1 1HE LYS 1 6.198 3.637 -6.048
12 2HE LYS 1 2HE LYS 1 6.598 5.086 -6.973
13 1HZ LYS 1 1HZ LYS 1 8.024 4.100 -4.599
14 2HZ LYS 1 2HZ LYS 1 8.530 3.974 -6.160
15 3HZ LYS 1 3HZ LYS 1 8.421 5.457 -5.448
16 H SER 2 H SER 2 2.904 5.339 -3.839
17 HA SER 2 HA SER 2 2.613 5.068 -0.891
18 1HB SER 2 1HB SER 2 0.272 4.982 -2.860
19 2HB SER 2 2HB SER 2 0.228 4.389 -1.195
20 HG SER 2 HG SER 2 0.768 6.496 -0.499
21 H CYS 3 H CYS 3 3.549 3.272 -0.449
22 HA CYS 3 HA CYS 3 3.863 1.196 -2.538
23 1HB CYS 3 1HB CYS 3 5.672 2.248 -0.367
24 2HB CYS 3 2HB CYS 3 6.023 0.811 -1.325
25 H CYS 4 H CYS 4 3.581 -1.058 -1.861
26 HA CYS 4 HA CYS 4 2.251 -1.431 0.739
27 1HB CYS 4 1HB CYS 4 2.043 -2.748 -1.988
28 2HB CYS 4 2HB CYS 4 1.419 -3.476 -0.565
29 H ARG 5 H ARG 5 2.538 -3.075 1.879
30 HA ARG 5 HA ARG 5 5.070 -3.847 2.405
31 1HB ARG 5 1HB ARG 5 3.355 -3.610 4.048
32 2HB ARG 5 2HB ARG 5 2.260 -4.690 3.169
33 1HG ARG 5 1HG ARG 5 2.877 -5.835 5.062
34 2HG ARG 5 2HG ARG 5 3.688 -6.604 3.698
35 1HD ARG 5 1HD ARG 5 5.374 -6.357 5.485
36 2HD ARG 5 2HD ARG 5 5.761 -5.158 4.237
37 HE ARG 5 HE ARG 5 4.059 -3.926 6.109
38 1HH1 ARG 5 1HH1 ARG 5 7.357 -5.281 6.079
39 2HH1 ARG 5 2HH1 ARG 5 7.949 -4.150 7.271
40 1HH2 ARG 5 1HH2 ARG 5 4.873 -2.453 7.627
41 2HH2 ARG 5 2HH2 ARG 5 6.538 -2.543 8.157
42 H ASN 6 H ASN 6 2.959 -5.287 0.134
43 HA ASN 6 HA ASN 6 4.791 -6.628 -1.173
44 1HB ASN 6 1HB ASN 6 3.711 -9.093 -0.779
45 2HB ASN 6 2HB ASN 6 5.182 -8.533 -0.005
46 1HD2 ASN 6 2HD2 ASN 6 1.838 -7.578 0.945
47 2HD2 ASN 6 1HD2 ASN 6 1.917 -8.351 2.522
48 H THR 7 H THR 7 3.862 -8.069 -2.747
49 HA THR 7 HA THR 7 1.954 -6.577 -4.337
50 HB THR 7 HB THR 7 3.133 -9.238 -4.635
51 HG1 THR 7 HG1 THR 7 3.689 -6.717 -5.797
52 1HG2 THR 7 1HG2 THR 7 1.038 -9.147 -5.864
53 2HG2 THR 7 2HG2 THR 7 1.387 -7.483 -6.403
54 3HG2 THR 7 3HG2 THR 7 2.337 -8.856 -7.048
55 H LEU 8 H LEU 8 1.830 -9.197 -2.024
56 HA LEU 8 HA LEU 8 -0.849 -10.073 -2.117
57 1HB LEU 8 1HB LEU 8 1.503 -10.407 -0.589
58 2HB LEU 8 2HB LEU 8 0.590 -9.534 0.499
59 HG LEU 8 HG LEU 8 -0.329 -12.182 -0.644
60 1HD1 LEU 8 1HD1 LEU 8 1.508 -12.296 1.023
61 2HD1 LEU 8 2HD1 LEU 8 0.564 -11.304 2.152
62 3HD1 LEU 8 3HD1 LEU 8 0.001 -12.932 1.715
63 1HD2 LEU 8 1HD2 LEU 8 -2.299 -10.756 -0.253
64 2HD2 LEU 8 2HD2 LEU 8 -2.192 -11.938 1.058
65 3HD2 LEU 8 3HD2 LEU 8 -1.674 -10.261 1.336
66 H ALA 9 H ALA 9 0.840 -7.496 -0.577
67 HA ALA 9 HA ALA 9 -1.446 -6.601 1.067
68 1HB ALA 9 1HB ALA 9 1.149 -5.268 0.576
69 2HB ALA 9 2HB ALA 9 -0.142 -4.613 1.586
70 3HB ALA 9 3HB ALA 9 0.595 -6.187 2.009
71 H ARG 10 H ARG 10 0.153 -5.542 -1.799
72 HA ARG 10 HA ARG 10 -1.287 -3.372 -2.765
73 1HB ARG 10 1HB ARG 10 0.939 -4.032 -3.420
74 2HB ARG 10 2HB ARG 10 0.330 -5.626 -3.810
75 1HG ARG 10 1HG ARG 10 0.943 -4.364 -5.833
76 2HG ARG 10 2HG ARG 10 -0.723 -4.954 -5.798
77 1HD ARG 10 1HD ARG 10 -0.584 -2.691 -6.527
78 2HD ARG 10 2HD ARG 10 -1.517 -2.867 -4.997
79 HE ARG 10 HE ARG 10 1.111 -2.182 -4.285
80 1HH1 ARG 10 1HH1 ARG 10 -1.682 -0.594 -5.815
81 2HH1 ARG 10 2HH1 ARG 10 -1.238 0.985 -5.213
82 1HH2 ARG 10 1HH2 ARG 10 1.684 -0.127 -3.566
83 2HH2 ARG 10 2HH2 ARG 10 0.682 1.255 -3.945
84 H ASN 11 H ASN 11 -1.756 -6.828 -2.991
85 HA ASN 11 HA ASN 11 -4.056 -6.663 -4.819
86 1HB ASN 11 1HB ASN 11 -3.034 -8.990 -3.155
87 2HB ASN 11 2HB ASN 11 -4.448 -9.070 -4.205
88 1HD2 ASN 11 2HD2 ASN 11 -2.335 -10.817 -4.607
89 2HD2 ASN 11 1HD2 ASN 11 -1.534 -10.404 -6.104
90 H CYS 12 H CYS 12 -3.795 -7.343 -1.304
91 HA CYS 12 HA CYS 12 -6.372 -7.024 -0.415
92 1HB CYS 12 1HB CYS 12 -4.686 -7.757 1.071
93 2HB CYS 12 2HB CYS 12 -3.679 -6.352 0.779
94 H TYR 13 H TYR 13 -4.003 -4.545 -1.078
95 HA TYR 13 HA TYR 13 -5.593 -2.305 -0.278
96 1HB TYR 13 1HB TYR 13 -3.192 -2.178 -0.332
97 2HB TYR 13 2HB TYR 13 -3.152 -2.558 -2.044
98 HD1 TYR 13 HD1 TYR 13 -3.412 0.115 0.415
99 HD2 TYR 13 HD2 TYR 13 -3.738 -0.886 -3.771
100 HE1 TYR 13 HE1 TYR 13 -3.130 2.511 -0.179
101 HE2 TYR 13 HE2 TYR 13 -3.515 1.511 -4.366
102 HH TYR 13 HH TYR 13 -3.186 3.670 -3.572
103 H ASN 14 H ASN 14 -5.027 -3.647 -3.521
104 HA ASN 14 HA ASN 14 -6.741 -1.807 -4.936
105 1HB ASN 14 1HB ASN 14 -5.750 -4.600 -5.666
106 2HB ASN 14 2HB ASN 14 -6.578 -3.506 -6.770
107 1HD2 ASN 14 2HD2 ASN 14 -3.782 -4.692 -6.869
108 2HD2 ASN 14 1HD2 ASN 14 -2.739 -3.303 -7.078
109 H ALA 15 H ALA 15 -7.160 -4.744 -3.170
110 HA ALA 15 HA ALA 15 -9.907 -5.259 -3.953
111 1HB ALA 15 1HB ALA 15 -8.455 -7.110 -3.195
112 2HB ALA 15 2HB ALA 15 -8.288 -6.322 -1.605
113 3HB ALA 15 3HB ALA 15 -9.869 -6.910 -2.130
114 H CYS 16 H CYS 16 -8.283 -3.588 -1.117
115 HA CYS 16 HA CYS 16 -10.772 -3.187 0.249
116 1HB CYS 16 1HB CYS 16 -9.016 -2.970 1.668
117 2HB CYS 16 2HB CYS 16 -7.924 -2.275 0.480
118 H ARG 17 H ARG 17 -9.002 -1.661 -2.349
119 HA ARG 17 HA ARG 17 -10.444 0.829 -2.455
120 1HB ARG 17 2HB ARG 17 -8.086 0.364 -3.380
121 2HB ARG 17 1HB ARG 17 -8.874 -0.521 -4.676
122 1HG ARG 17 1HG ARG 17 -8.435 1.501 -5.653
123 2HG ARG 17 2HG ARG 17 -10.119 1.730 -5.169
124 1HD ARG 17 1HD ARG 17 -7.635 2.690 -3.654
125 2HD ARG 17 2HD ARG 17 -8.644 3.701 -4.683
126 HE ARG 17 HE ARG 17 -9.336 2.487 -2.051
127 1HH1 ARG 17 1HH1 ARG 17 -10.324 4.785 -4.616
128 2HH1 ARG 17 2HH1 ARG 17 -11.748 5.287 -3.737
129 1HH2 ARG 17 1HH2 ARG 17 -11.215 3.140 -1.001
130 2HH2 ARG 17 2HH2 ARG 17 -12.246 4.374 -1.690
131 H PHE 18 H PHE 18 -10.803 -2.384 -3.934
132 HA PHE 18 HA PHE 18 -13.110 -1.878 -5.526
133 1HB PHE 18 1HB PHE 18 -11.560 -4.004 -5.317
134 2HB PHE 18 2HB PHE 18 -12.614 -4.504 -4.057
135 HD1 PHE 18 HD1 PHE 18 -15.030 -4.995 -4.428
136 HD2 PHE 18 HD2 PHE 18 -12.349 -4.026 -7.681
137 HE1 PHE 18 HE1 PHE 18 -16.665 -5.910 -6.057
138 HE2 PHE 18 HE2 PHE 18 -13.995 -4.934 -9.305
139 HZ PHE 18 HZ PHE 18 -16.156 -5.879 -8.496
140 H THR 19 H THR 19 -12.727 -3.207 -2.175
141 HA THR 19 HA THR 19 -15.428 -3.459 -1.621
142 HB THR 19 HB THR 19 -14.740 -3.968 0.583
143 HG1 THR 19 HG1 THR 19 -13.509 -2.222 1.018
144 1HG2 THR 19 1HG2 THR 19 -12.353 -5.196 -0.239
145 2HG2 THR 19 2HG2 THR 19 -13.963 -5.900 -0.145
146 3HG2 THR 19 3HG2 THR 19 -13.420 -5.194 -1.657
147 H GLY 20 H GLY 20 -14.306 -0.379 -2.035
148 1HA GLY 20 1HA GLY 20 -15.316 1.616 -1.478
149 2HA GLY 20 2HA GLY 20 -16.453 0.802 -0.404
150 H GLY 21 H GLY 21 -13.747 -0.534 0.709
151 1HA GLY 21 1HA GLY 21 -12.993 0.891 2.934
152 2HA GLY 21 2HA GLY 21 -12.069 -0.324 2.037
153 H SER 22 H SER 22 -12.231 2.841 2.829
154 HA SER 22 HA SER 22 -11.467 4.384 0.726
155 1HB SER 22 2HB SER 22 -10.926 4.884 3.565
156 2HB SER 22 1HB SER 22 -11.070 6.064 2.283
157 HG SER 22 HG SER 22 -13.251 5.385 2.022
158 H GLN 23 H GLN 23 -9.582 5.528 0.932
159 HA GLN 23 HA GLN 23 -7.294 3.984 0.003
160 1HB GLN 23 1HB GLN 23 -7.258 7.000 0.468
161 2HB GLN 23 2HB GLN 23 -6.163 6.018 -0.512
162 1HG GLN 23 1HG GLN 23 -8.137 5.332 -1.916
163 2HG GLN 23 2HG GLN 23 -9.143 6.477 -1.003
164 1HE2 GLN 23 2HE2 GLN 23 -9.161 6.849 -3.648
165 2HE2 GLN 23 1HE2 GLN 23 -8.186 8.228 -4.116
166 HA PRO 24 HA PRO 24 -5.457 5.194 4.321
167 1HB PRO 24 1HB PRO 24 -8.184 5.529 5.720
168 2HB PRO 24 2HB PRO 24 -6.661 6.246 6.153
169 1HG PRO 24 1HG PRO 24 -8.562 7.700 4.837
170 2HG PRO 24 2HG PRO 24 -6.895 7.798 4.170
171 1HD PRO 24 2HD PRO 24 -9.045 5.768 3.450
172 2HD PRO 24 1HD PRO 24 -8.382 6.910 2.328
173 H THR 25 H THR 25 -8.646 3.815 4.502
174 HA THR 25 HA THR 25 -8.040 1.693 6.290
175 HB THR 25 HB THR 25 -10.010 1.921 4.140
176 HG1 THR 25 HG1 THR 25 -10.259 1.992 6.949
177 1HG2 THR 25 1HG2 THR 25 -9.659 -0.526 4.439
178 2HG2 THR 25 2HG2 THR 25 -9.681 -0.312 6.197
179 3HG2 THR 25 3HG2 THR 25 -11.167 -0.122 5.248
180 H CYS 26 H CYS 26 -7.504 1.876 2.858
181 HA CYS 26 HA CYS 26 -6.609 -0.882 2.614
182 1HB CYS 26 1HB CYS 26 -5.953 1.448 0.724
183 2HB CYS 26 2HB CYS 26 -5.894 -0.271 0.372
184 H GLY 27 H GLY 27 -4.873 2.192 2.653
185 1HA GLY 27 1HA GLY 27 -2.334 1.001 2.970
186 2HA GLY 27 2HA GLY 27 -2.729 2.690 3.355
187 H ILE 28 H ILE 28 -4.836 1.297 5.319
188 HA ILE 28 HA ILE 28 -2.947 0.811 7.490
189 HB ILE 28 HB ILE 28 -5.976 0.944 7.382
190 1HG1 ILE 28 1HG1 ILE 28 -4.097 2.792 8.965
191 2HG1 ILE 28 2HG1 ILE 28 -4.372 3.116 7.262
192 1HG2 ILE 28 1HG2 ILE 28 -5.550 -0.604 9.102
193 2HG2 ILE 28 2HG2 ILE 28 -4.221 0.381 9.756
194 3HG2 ILE 28 3HG2 ILE 28 -5.922 0.923 9.886
195 1HD1 ILE 28 1HD1 ILE 28 -6.833 3.186 7.654
196 2HD1 ILE 28 2HD1 ILE 28 -6.532 2.993 9.396
197 3HD1 ILE 28 3HD1 ILE 28 -5.922 4.429 8.536
198 H LEU 29 H LEU 29 -5.649 -0.894 6.029
199 HA LEU 29 HA LEU 29 -5.382 -3.064 7.903
200 1HB LEU 29 1HB LEU 29 -6.885 -3.030 5.244
201 2HB LEU 29 2HB LEU 29 -6.943 -4.374 6.387
202 HG LEU 29 HG LEU 29 -7.819 -1.555 6.951
203 1HD1 LEU 29 1HD1 LEU 29 -9.299 -2.772 5.330
204 2HD1 LEU 29 2HD1 LEU 29 -9.446 -4.116 6.478
205 3HD1 LEU 29 3HD1 LEU 29 -10.142 -2.535 6.869
206 1HD2 LEU 29 1HD2 LEU 29 -8.049 -4.067 8.672
207 2HD2 LEU 29 2HD2 LEU 29 -7.164 -2.574 9.069
208 3HD2 LEU 29 3HD2 LEU 29 -8.922 -2.562 8.988
209 H CYS 30 H CYS 30 -4.582 -2.439 4.631
210 HA CYS 30 HA CYS 30 -2.954 -4.882 4.215
211 1HB CYS 30 1HB CYS 30 -3.099 -2.496 2.360
212 2HB CYS 30 2HB CYS 30 -2.656 -4.143 2.017
213 H ASP 31 H ASP 31 -2.330 -1.963 5.871
214 HA ASP 31 HA ASP 31 -0.482 -0.945 6.556
215 1HB ASP 31 1HB ASP 31 -0.001 -3.493 7.034
216 2HB ASP 31 2HB ASP 31 1.177 -3.362 5.735
217 HD2 ASP 31 HD2 ASP 31 3.066 -2.536 6.223
218 H CYS 32 H CYS 32 -1.184 -0.300 3.923
219 HA CYS 32 HA CYS 32 1.454 -0.004 2.444
220 1HB CYS 32 1HB CYS 32 -1.226 0.801 1.283
221 2HB CYS 32 2HB CYS 32 0.320 0.736 0.522
222 H ILE 33 H ILE 33 2.338 2.096 1.901
223 HA ILE 33 HA ILE 33 1.631 4.048 4.080
224 HB ILE 33 HB ILE 33 4.087 4.377 4.267
225 1HG1 ILE 33 1HG1 ILE 33 4.408 1.862 2.585
226 2HG1 ILE 33 2HG1 ILE 33 4.597 3.476 1.889
227 1HG2 ILE 33 1HG2 ILE 33 3.171 1.522 4.732
228 2HG2 ILE 33 2HG2 ILE 33 4.477 2.377 5.585
229 3HG2 ILE 33 3HG2 ILE 33 2.811 2.901 5.772
230 1HD1 ILE 33 1HD1 ILE 33 6.448 3.962 3.370
231 2HD1 ILE 33 2HD1 ILE 33 6.230 2.448 4.247
232 3HD1 ILE 33 3HD1 ILE 33 6.738 2.412 2.555
233 H HIS 34 H HIS 34 3.568 5.936 3.329
234 HA HIS 34 HA HIS 34 3.124 6.574 0.552
235 1HB HIS 34 1HB HIS 34 1.262 7.789 1.726
236 2HB HIS 34 2HB HIS 34 2.456 8.622 2.733
237 HD1 HIS 34 HD1 HIS 34 4.387 9.977 1.109
238 HD2 HIS 34 HD2 HIS 34 0.537 9.189 -0.438
239 HE1 HIS 34 HE1 HIS 34 4.045 11.526 -0.891
240 HE2 HIS 34 HE2 HIS 34 1.709 11.067 -1.837
241 H VAL 35 H VAL 35 5.016 6.905 -0.292
242 HA VAL 35 HA VAL 35 7.237 7.892 1.441
243 HB VAL 35 HB VAL 35 8.750 7.006 -0.038
244 1HG1 VAL 35 1HG1 VAL 35 8.827 4.797 0.578
245 2HG1 VAL 35 2HG1 VAL 35 8.239 5.806 1.905
246 3HG1 VAL 35 3HG1 VAL 35 7.084 4.787 0.954
247 1HG2 VAL 35 1HG2 VAL 35 7.769 6.739 -2.186
248 2HG2 VAL 35 2HG2 VAL 35 8.332 5.170 -1.624
249 3HG2 VAL 35 3HG2 VAL 35 6.595 5.543 -1.533
250 H THR 36 H THR 36 8.446 9.432 0.806
251 HA THR 36 HA THR 36 8.318 10.413 -1.975
252 HB THR 36 HB THR 36 9.193 12.596 -1.295
253 HG1 THR 36 HG1 THR 36 9.057 13.175 0.915
254 1HG2 THR 36 1HG2 THR 36 7.071 13.509 -0.474
255 2HG2 THR 36 2HG2 THR 36 6.751 12.213 -1.640
256 3HG2 THR 36 3HG2 THR 36 6.557 11.912 0.103
257 H THR 37 H THR 37 9.316 8.107 -1.318
258 HA THR 37 HA THR 37 12.071 8.116 -0.657
259 HB THR 37 HB THR 37 10.594 5.827 -1.505
260 HG1 THR 37 HG1 THR 37 11.459 6.826 1.048
261 1HG2 THR 37 1HG2 THR 37 12.879 5.170 -1.753
262 2HG2 THR 37 2HG2 THR 37 13.350 6.099 -0.311
263 3HG2 THR 37 3HG2 THR 37 12.404 4.611 -0.173
264 H THR 38 H THR 38 13.154 6.874 -2.331
265 HA THR 38 HA THR 38 13.364 8.018 -5.041
266 HB THR 38 HB THR 38 14.794 5.698 -3.953
267 HG1 THR 38 HG1 THR 38 15.539 8.422 -4.099
268 1HG2 THR 38 1HG2 THR 38 16.465 6.173 -5.741
269 2HG2 THR 38 2HG2 THR 38 14.889 5.767 -6.433
270 3HG2 THR 38 3HG2 THR 38 15.417 7.462 -6.359
271 H THR 39 H THR 39 12.280 4.870 -3.577
272 HA THR 39 HA THR 39 10.624 4.011 -5.758
273 HB THR 39 HB THR 39 12.626 2.237 -4.667
274 HG1 THR 39 HG1 THR 39 14.175 2.719 -6.288
275 1HG2 THR 39 1HG2 THR 39 12.585 1.255 -6.964
276 2HG2 THR 39 2HG2 THR 39 10.981 1.346 -6.230
277 3HG2 THR 39 3HG2 THR 39 11.470 2.558 -7.446
278 H CYS 40 H CYS 40 9.795 1.959 -4.936
279 HA CYS 40 HA CYS 40 8.661 2.278 -2.355
280 1HB CYS 40 1HB CYS 40 8.476 0.031 -4.398
281 2HB CYS 40 2HB CYS 40 7.705 -0.089 -2.828
282 HA PRO 41 HA PRO 41 12.129 1.089 -0.105
283 1HB PRO 41 2HB PRO 41 10.600 0.406 2.285
284 2HB PRO 41 1HB PRO 41 11.559 1.814 2.010
285 1HG PRO 41 1HG PRO 41 8.676 1.165 1.827
286 2HG PRO 41 2HG PRO 41 9.414 2.754 1.954
287 1HD PRO 41 1HD PRO 41 8.204 1.724 -0.360
288 2HD PRO 41 2HD PRO 41 9.502 2.949 -0.397
289 H SER 42 H SER 42 13.070 -0.382 1.420
290 HA SER 42 HA SER 42 12.845 -3.221 1.200
291 1HB SER 42 1HB SER 42 13.780 -1.352 3.426
292 2HB SER 42 2HB SER 42 13.983 -3.120 3.429
293 HG SER 42 HG SER 42 15.035 -1.320 1.502
294 H SER 43 H SER 43 11.254 -0.705 3.379
295 HA SER 43 HA SER 43 10.040 -2.577 5.132
296 1HB SER 43 2HB SER 43 9.524 0.252 4.514
297 2HB SER 43 1HB SER 43 8.819 -0.621 5.866
298 HG SER 43 HG SER 43 11.582 -0.189 5.421
299 H HIS 44 H HIS 44 9.201 -1.191 2.092
300 HA HIS 44 HA HIS 44 6.561 -2.632 1.907
301 1HB HIS 44 1HB HIS 44 6.773 0.345 1.544
302 2HB HIS 44 2HB HIS 44 5.424 -0.671 1.119
303 HD1 HIS 44 HD1 HIS 44 7.412 0.375 4.217
304 HD2 HIS 44 HD2 HIS 44 3.762 -1.454 3.161
305 HE1 HIS 44 HE1 HIS 44 6.092 0.024 6.376
306 HE2 HIS 44 HE2 HIS 44 3.862 -1.071 5.737
307 HA PRO 45 HA PRO 45 9.368 -2.893 -1.814
308 1HB PRO 45 1HB PRO 45 8.897 -5.503 -2.499
309 2HB PRO 45 2HB PRO 45 10.023 -4.995 -1.213
310 1HG PRO 45 1HG PRO 45 7.128 -5.836 -0.883
311 2HG PRO 45 2HG PRO 45 8.555 -6.465 -0.003
312 1HD PRO 45 1HD PRO 45 7.030 -4.541 1.086
313 2HD PRO 45 2HD PRO 45 8.798 -4.398 1.207
314 H SER 46 H SER 46 5.812 -3.689 -1.643
315 HA SER 46 HA SER 46 5.687 -3.575 -4.620
316 1HB SER 46 1HB SER 46 4.598 -5.450 -3.519
317 2HB SER 46 2HB SER 46 3.684 -4.358 -2.490
318 HG SER 46 HG SER 46 3.637 -4.518 -5.339
319 HXT SER 46 HO OH 47 3.301 -0.811 -4.509
Start of MODEL 18
1 1H LYS 1 1H LYS 1 3.251 9.339 -5.032
2 2H LYS 1 2H LYS 1 2.028 8.788 -4.081
3 3H LYS 1 3H LYS 1 3.382 9.420 -3.392
4 HA LYS 1 HA LYS 1 3.216 7.007 -4.996
5 1HB LYS 1 1HB LYS 1 5.438 8.625 -4.683
6 2HB LYS 1 2HB LYS 1 5.706 7.435 -3.431
7 1HG LYS 1 1HG LYS 1 5.157 6.827 -6.369
8 2HG LYS 1 2HG LYS 1 6.752 6.965 -5.625
9 1HD LYS 1 1HD LYS 1 6.230 5.015 -4.135
10 2HD LYS 1 2HD LYS 1 4.665 4.831 -4.907
11 1HE LYS 1 1HE LYS 1 6.314 3.280 -5.889
12 2HE LYS 1 2HE LYS 1 5.738 4.429 -7.105
13 1HZ LYS 1 1HZ LYS 1 7.756 5.626 -6.856
14 2HZ LYS 1 2HZ LYS 1 8.242 4.667 -5.613
15 3HZ LYS 1 3HZ LYS 1 8.108 4.037 -7.130
16 H SER 2 H SER 2 2.926 5.089 -3.962
17 HA SER 2 HA SER 2 2.665 4.882 -1.024
18 1HB SER 2 1HB SER 2 0.294 4.726 -2.952
19 2HB SER 2 2HB SER 2 0.278 4.123 -1.283
20 HG SER 2 HG SER 2 0.804 6.802 -2.048
21 H CYS 3 H CYS 3 3.398 2.994 -0.451
22 HA CYS 3 HA CYS 3 3.644 0.814 -2.463
23 1HB CYS 3 1HB CYS 3 5.678 2.029 -0.580
24 2HB CYS 3 2HB CYS 3 5.917 0.525 -1.466
25 H CYS 4 H CYS 4 3.748 -1.341 -1.578
26 HA CYS 4 HA CYS 4 2.476 -1.722 1.055
27 1HB CYS 4 1HB CYS 4 2.271 -3.020 -1.677
28 2HB CYS 4 2HB CYS 4 1.571 -3.702 -0.246
29 H ARG 5 H ARG 5 2.839 -3.467 2.270
30 HA ARG 5 HA ARG 5 5.459 -4.145 2.517
31 1HB ARG 5 1HB ARG 5 3.448 -6.259 3.190
32 2HB ARG 5 2HB ARG 5 4.984 -5.857 3.988
33 1HG ARG 5 1HG ARG 5 2.449 -4.181 4.034
34 2HG ARG 5 2HG ARG 5 2.798 -5.449 5.197
35 1HD ARG 5 1HD ARG 5 4.684 -3.106 4.703
36 2HD ARG 5 2HD ARG 5 3.524 -3.149 6.051
37 HE ARG 5 HE ARG 5 5.110 -5.498 6.026
38 1HH1 ARG 5 1HH1 ARG 5 5.431 -2.040 6.809
39 2HH1 ARG 5 2HH1 ARG 5 6.808 -2.287 7.855
40 1HH2 ARG 5 1HH2 ARG 5 6.886 -5.792 7.426
41 2HH2 ARG 5 2HH2 ARG 5 7.625 -4.413 8.214
42 H ASN 6 H ASN 6 3.065 -5.457 0.357
43 HA ASN 6 HA ASN 6 4.803 -7.125 -1.003
44 1HB ASN 6 1HB ASN 6 2.640 -8.166 0.919
45 2HB ASN 6 2HB ASN 6 3.046 -9.134 -0.497
46 1HD2 ASN 6 2HD2 ASN 6 3.264 -9.708 2.291
47 2HD2 ASN 6 1HD2 ASN 6 4.919 -10.289 2.508
48 H THR 7 H THR 7 3.547 -8.481 -2.353
49 HA THR 7 HA THR 7 1.961 -6.811 -4.207
50 HB THR 7 HB THR 7 2.994 -9.551 -4.367
51 HG1 THR 7 HG1 THR 7 4.434 -8.547 -5.857
52 1HG2 THR 7 1HG2 THR 7 2.401 -9.170 -6.819
53 2HG2 THR 7 2HG2 THR 7 0.988 -9.275 -5.734
54 3HG2 THR 7 3HG2 THR 7 1.555 -7.684 -6.290
55 H LEU 8 H LEU 8 1.659 -9.438 -1.891
56 HA LEU 8 HA LEU 8 -1.072 -10.107 -1.989
57 1HB LEU 8 1HB LEU 8 1.245 -10.623 -0.461
58 2HB LEU 8 2HB LEU 8 0.396 -9.705 0.650
59 HG LEU 8 HG LEU 8 -0.711 -12.252 -0.585
60 1HD1 LEU 8 1HD2 LEU 8 0.247 -11.574 2.241
61 2HD1 LEU 8 2HD2 LEU 8 -0.433 -13.129 1.728
62 3HD1 LEU 8 3HD2 LEU 8 1.123 -12.580 1.075
63 1HD2 LEU 8 1HD1 LEU 8 -1.908 -10.326 1.472
64 2HD2 LEU 8 2HD1 LEU 8 -2.571 -10.717 -0.124
65 3HD2 LEU 8 3HD1 LEU 8 -2.536 -11.954 1.140
66 H ALA 9 H ALA 9 0.804 -7.677 -0.436
67 HA ALA 9 HA ALA 9 -1.507 -6.648 1.123
68 1HB ALA 9 1HB ALA 9 0.000 -4.791 1.775
69 2HB ALA 9 2HB ALA 9 0.571 -6.443 2.176
70 3HB ALA 9 3HB ALA 9 1.248 -5.560 0.783
71 H ARG 10 H ARG 10 0.275 -5.634 -1.638
72 HA ARG 10 HA ARG 10 -1.068 -3.395 -2.591
73 1HB ARG 10 1HB ARG 10 1.124 -4.123 -3.237
74 2HB ARG 10 2HB ARG 10 0.470 -5.711 -3.631
75 1HG ARG 10 1HG ARG 10 1.183 -4.444 -5.617
76 2HG ARG 10 2HG ARG 10 -0.502 -4.991 -5.650
77 1HD ARG 10 1HD ARG 10 -0.263 -2.714 -6.354
78 2HD ARG 10 2HD ARG 10 -1.273 -2.892 -4.870
79 HE ARG 10 HE ARG 10 1.338 -2.281 -4.037
80 1HH1 ARG 10 1HH1 ARG 10 -1.333 -0.599 -5.697
81 2HH1 ARG 10 2HH1 ARG 10 -0.895 0.954 -5.028
82 1HH2 ARG 10 1HH2 ARG 10 1.860 -0.274 -3.188
83 2HH2 ARG 10 2HH2 ARG 10 0.940 1.150 -3.628
84 H ASN 11 H ASN 11 -1.705 -6.831 -2.903
85 HA ASN 11 HA ASN 11 -3.920 -6.288 -4.775
86 1HB ASN 11 1HB ASN 11 -4.480 -8.513 -4.991
87 2HB ASN 11 2HB ASN 11 -2.741 -8.258 -5.200
88 1HD2 ASN 11 2HD2 ASN 11 -1.988 -10.275 -4.833
89 2HD2 ASN 11 1HD2 ASN 11 -2.312 -11.227 -3.401
90 H CYS 12 H CYS 12 -3.778 -7.272 -1.362
91 HA CYS 12 HA CYS 12 -6.388 -6.893 -0.532
92 1HB CYS 12 1HB CYS 12 -4.736 -7.776 0.948
93 2HB CYS 12 2HB CYS 12 -3.720 -6.359 0.782
94 H TYR 13 H TYR 13 -3.853 -4.501 -0.950
95 HA TYR 13 HA TYR 13 -5.399 -2.242 -0.166
96 1HB TYR 13 1HB TYR 13 -3.015 -2.185 -0.104
97 2HB TYR 13 2HB TYR 13 -2.885 -2.506 -1.827
98 HD1 TYR 13 HD1 TYR 13 -3.246 0.071 0.720
99 HD2 TYR 13 HD2 TYR 13 -3.283 -0.757 -3.514
100 HE1 TYR 13 HE1 TYR 13 -2.858 2.480 0.250
101 HE2 TYR 13 HE2 TYR 13 -2.916 1.644 -3.993
102 HH TYR 13 HH TYR 13 -2.582 3.767 -3.092
103 H ASN 14 H ASN 14 -4.797 -3.507 -3.421
104 HA ASN 14 HA ASN 14 -6.315 -1.525 -4.869
105 1HB ASN 14 1HB ASN 14 -5.437 -4.340 -5.615
106 2HB ASN 14 2HB ASN 14 -6.161 -3.183 -6.732
107 1HD2 ASN 14 2HD2 ASN 14 -3.499 -4.492 -6.886
108 2HD2 ASN 14 1HD2 ASN 14 -2.340 -3.186 -6.958
109 H ALA 15 H ALA 15 -6.964 -4.487 -3.219
110 HA ALA 15 HA ALA 15 -9.698 -4.853 -4.157
111 1HB ALA 15 1HB ALA 15 -8.373 -6.799 -3.477
112 2HB ALA 15 2HB ALA 15 -8.172 -6.119 -1.843
113 3HB ALA 15 3HB ALA 15 -9.781 -6.601 -2.415
114 H CYS 16 H CYS 16 -8.148 -3.354 -1.158
115 HA CYS 16 HA CYS 16 -10.715 -2.847 0.036
116 1HB CYS 16 1HB CYS 16 -9.034 -2.819 1.573
117 2HB CYS 16 2HB CYS 16 -7.845 -2.091 0.499
118 H ARG 17 H ARG 17 -8.652 -1.379 -2.402
119 HA ARG 17 HA ARG 17 -10.072 1.124 -2.556
120 1HB ARG 17 2HB ARG 17 -7.634 0.696 -3.273
121 2HB ARG 17 1HB ARG 17 -8.293 -0.131 -4.676
122 1HG ARG 17 1HG ARG 17 -7.807 1.961 -5.510
123 2HG ARG 17 2HG ARG 17 -9.522 2.146 -5.151
124 1HD ARG 17 1HD ARG 17 -7.169 3.037 -3.406
125 2HD ARG 17 2HD ARG 17 -8.134 4.104 -4.412
126 HE ARG 17 HE ARG 17 -8.931 2.723 -1.905
127 1HH1 ARG 17 1HH1 ARG 17 -9.900 5.069 -4.420
128 2HH1 ARG 17 2HH1 ARG 17 -11.411 5.432 -3.621
129 1HH2 ARG 17 1HH2 ARG 17 -10.895 3.216 -0.927
130 2HH2 ARG 17 2HH2 ARG 17 -11.957 4.412 -1.636
131 H PHE 18 H PHE 18 -10.431 -2.072 -4.052
132 HA PHE 18 HA PHE 18 -12.614 -1.451 -5.789
133 1HB PHE 18 1HB PHE 18 -11.262 -3.709 -5.452
134 2HB PHE 18 2HB PHE 18 -12.404 -4.060 -4.226
135 HD1 PHE 18 HD1 PHE 18 -11.984 -3.763 -7.851
136 HD2 PHE 18 HD2 PHE 18 -14.834 -4.306 -4.646
137 HE1 PHE 18 HE1 PHE 18 -13.670 -4.578 -9.485
138 HE2 PHE 18 HE2 PHE 18 -16.518 -5.119 -6.287
139 HZ PHE 18 HZ PHE 18 -15.935 -5.265 -8.708
140 H THR 19 H THR 19 -12.460 -2.724 -2.386
141 HA THR 19 HA THR 19 -15.208 -2.402 -1.858
142 HB THR 19 HB THR 19 -14.746 -3.076 0.244
143 HG1 THR 19 HG1 THR 19 -12.798 -2.895 1.312
144 1HG2 THR 19 1HG2 THR 19 -13.938 -5.096 -0.155
145 2HG2 THR 19 2HG2 THR 19 -13.557 -4.545 -1.786
146 3HG2 THR 19 3HG2 THR 19 -12.332 -4.485 -0.501
147 H GLY 20 H GLY 20 -15.840 -1.245 0.311
148 1HA GLY 20 1HA GLY 20 -15.782 1.673 -0.191
149 2HA GLY 20 2HA GLY 20 -16.824 0.778 0.922
150 H GLY 21 H GLY 21 -13.398 0.165 0.735
151 1HA GLY 21 1HA GLY 21 -12.737 1.345 3.360
152 2HA GLY 21 2HA GLY 21 -11.856 0.080 2.496
153 H SER 22 H SER 22 -11.962 3.347 3.046
154 HA SER 22 HA SER 22 -11.187 4.682 0.773
155 1HB SER 22 2HB SER 22 -10.663 5.271 3.601
156 2HB SER 22 1HB SER 22 -10.639 6.429 2.284
157 HG SER 22 HG SER 22 -12.862 5.985 1.950
158 H GLN 23 H GLN 23 -9.195 5.785 0.989
159 HA GLN 23 HA GLN 23 -7.068 3.982 0.132
160 1HB GLN 23 1HB GLN 23 -6.518 6.964 0.415
161 2HB GLN 23 2HB GLN 23 -5.764 5.755 -0.594
162 1HG GLN 23 1HG GLN 23 -7.071 7.063 -2.035
163 2HG GLN 23 2HG GLN 23 -7.917 5.530 -1.875
164 1HE2 GLN 23 2HE2 GLN 23 -7.764 8.837 -0.378
165 2HE2 GLN 23 1HE2 GLN 23 -9.489 9.005 -0.135
166 HA PRO 24 HA PRO 24 -5.010 5.263 4.346
167 1HB PRO 24 1HB PRO 24 -7.733 5.902 5.669
168 2HB PRO 24 2HB PRO 24 -6.151 6.435 6.179
169 1HG PRO 24 1HG PRO 24 -7.761 8.110 4.774
170 2HG PRO 24 2HG PRO 24 -6.077 7.948 4.171
171 1HD PRO 24 1HD PRO 24 -8.521 6.339 3.324
172 2HD PRO 24 2HD PRO 24 -7.461 7.299 2.278
173 H THR 25 H THR 25 -8.299 4.127 4.574
174 HA THR 25 HA THR 25 -7.807 1.993 6.392
175 HB THR 25 HB THR 25 -9.803 2.324 4.289
176 HG1 THR 25 HG1 THR 25 -10.005 3.560 6.157
177 1HG2 THR 25 1HG2 THR 25 -10.974 0.248 5.359
178 2HG2 THR 25 2HG2 THR 25 -9.503 -0.143 4.475
179 3HG2 THR 25 3HG2 THR 25 -9.449 -0.030 6.229
180 H CYS 26 H CYS 26 -7.364 2.067 2.918
181 HA CYS 26 HA CYS 26 -6.667 -0.745 2.748
182 1HB CYS 26 1HB CYS 26 -5.794 1.477 0.805
183 2HB CYS 26 2HB CYS 26 -5.876 -0.249 0.492
184 H GLY 27 H GLY 27 -4.654 2.160 2.791
185 1HA GLY 27 1HA GLY 27 -2.240 0.713 3.120
186 2HA GLY 27 2HA GLY 27 -2.432 2.429 3.505
187 H ILE 28 H ILE 28 -4.697 1.372 5.493
188 HA ILE 28 HA ILE 28 -2.891 0.608 7.644
189 HB ILE 28 HB ILE 28 -5.904 0.970 7.502
190 1HG1 ILE 28 1HG1 ILE 28 -3.921 2.603 9.173
191 2HG1 ILE 28 2HG1 ILE 28 -4.134 3.002 7.475
192 1HG2 ILE 28 1HG2 ILE 28 -4.218 0.164 9.853
193 2HG2 ILE 28 2HG2 ILE 28 -5.856 0.861 10.014
194 3HG2 ILE 28 3HG2 ILE 28 -5.634 -0.662 9.166
195 1HD1 ILE 28 1HD1 ILE 28 -6.352 2.969 9.545
196 2HD1 ILE 28 2HD1 ILE 28 -5.606 4.397 8.781
197 3HD1 ILE 28 3HD1 ILE 28 -6.568 3.273 7.810
198 H LEU 29 H LEU 29 -5.658 -0.864 6.103
199 HA LEU 29 HA LEU 29 -5.725 -3.086 7.848
200 1HB LEU 29 1HB LEU 29 -7.823 -3.192 7.177
201 2HB LEU 29 2HB LEU 29 -7.519 -1.976 5.995
202 HG LEU 29 HG LEU 29 -6.641 -3.791 4.542
203 1HD1 LEU 29 1HD1 LEU 29 -8.454 -5.491 6.334
204 2HD1 LEU 29 2HD1 LEU 29 -7.706 -6.039 4.823
205 3HD1 LEU 29 3HD1 LEU 29 -6.702 -5.687 6.238
206 1HD2 LEU 29 1HD2 LEU 29 -9.617 -3.582 5.122
207 2HD2 LEU 29 2HD2 LEU 29 -8.669 -2.537 4.031
208 3HD2 LEU 29 3HD2 LEU 29 -8.930 -4.242 3.623
209 H CYS 30 H CYS 30 -4.527 -2.438 4.690
210 HA CYS 30 HA CYS 30 -3.185 -5.065 4.381
211 1HB CYS 30 1HB CYS 30 -3.119 -2.706 2.479
212 2HB CYS 30 2HB CYS 30 -2.759 -4.390 2.164
213 H ASP 31 H ASP 31 -2.368 -2.152 5.974
214 HA ASP 31 HA ASP 31 -0.412 -1.279 6.658
215 1HB ASP 31 1HB ASP 31 0.695 -4.055 6.058
216 2HB ASP 31 2HB ASP 31 1.453 -2.818 7.055
217 HD2 ASP 31 HD2 ASP 31 -1.314 -4.903 6.790
218 H CYS 32 H CYS 32 -1.002 -0.507 4.150
219 HA CYS 32 HA CYS 32 1.660 -0.274 2.697
220 1HB CYS 32 1HB CYS 32 -0.979 0.664 1.558
221 2HB CYS 32 2HB CYS 32 0.548 0.576 0.788
222 H ILE 33 H ILE 33 2.187 2.082 1.884
223 HA ILE 33 HA ILE 33 1.554 4.030 4.071
224 HB ILE 33 HB ILE 33 4.042 4.535 4.049
225 1HG1 ILE 33 1HG1 ILE 33 4.348 1.848 2.675
226 2HG1 ILE 33 2HG1 ILE 33 4.391 3.366 1.776
227 1HG2 ILE 33 1HG2 ILE 33 2.994 3.288 5.853
228 2HG2 ILE 33 2HG2 ILE 33 3.235 1.774 4.984
229 3HG2 ILE 33 3HG2 ILE 33 4.630 2.712 5.549
230 1HD1 ILE 33 1HD1 ILE 33 6.309 2.637 4.024
231 2HD1 ILE 33 2HD1 ILE 33 6.639 2.573 2.281
232 3HD1 ILE 33 3HD1 ILE 33 6.316 4.131 3.070
233 H HIS 34 H HIS 34 3.144 6.045 3.279
234 HA HIS 34 HA HIS 34 2.841 6.452 0.429
235 1HB HIS 34 1HB HIS 34 0.911 7.666 1.503
236 2HB HIS 34 2HB HIS 34 2.053 8.578 2.491
237 HD1 HIS 34 HD1 HIS 34 0.354 8.604 -0.793
238 HD2 HIS 34 HD2 HIS 34 3.863 10.254 0.886
239 HE1 HIS 34 HE1 HIS 34 1.143 10.474 -2.350
240 HE2 HIS 34 HE2 HIS 34 3.284 11.464 -1.347
241 H VAL 35 H VAL 35 4.683 6.790 -0.373
242 HA VAL 35 HA VAL 35 6.935 7.878 1.269
243 HB VAL 35 HB VAL 35 8.399 6.932 -0.301
244 1HG1 VAL 35 1HG1 VAL 35 6.879 4.728 0.812
245 2HG1 VAL 35 2HG1 VAL 35 8.597 4.834 0.332
246 3HG1 VAL 35 3HG1 VAL 35 8.047 5.822 1.684
247 1HG2 VAL 35 1HG2 VAL 35 7.445 6.472 -2.370
248 2HG2 VAL 35 2HG2 VAL 35 7.422 4.856 -1.651
249 3HG2 VAL 35 3HG2 VAL 35 5.944 5.790 -1.656
250 H THR 36 H THR 36 8.141 9.394 0.454
251 HA THR 36 HA THR 36 7.710 10.316 -2.333
252 HB THR 36 HB THR 36 8.682 12.489 -1.791
253 HG1 THR 36 HG1 THR 36 8.873 13.088 0.402
254 1HG2 THR 36 1HG2 THR 36 6.689 13.424 -0.719
255 2HG2 THR 36 2HG2 THR 36 6.205 12.091 -1.794
256 3HG2 THR 36 3HG2 THR 36 6.255 11.837 -0.040
257 H THR 37 H THR 37 8.776 7.956 -1.675
258 HA THR 37 HA THR 37 11.539 8.048 -1.674
259 HB THR 37 HB THR 37 11.578 5.801 -2.093
260 HG1 THR 37 HG1 THR 37 9.506 5.453 -2.741
261 1HG2 THR 37 1HG2 THR 37 11.269 5.126 0.243
262 2HG2 THR 37 2HG2 THR 37 12.155 6.647 0.063
263 3HG2 THR 37 3HG2 THR 37 10.448 6.671 0.562
264 H THR 38 H THR 38 12.418 7.878 -3.694
265 HA THR 38 HA THR 38 11.602 8.071 -6.346
266 HB THR 38 HB THR 38 13.609 6.495 -6.646
267 HG1 THR 38 HG1 THR 38 13.531 5.466 -4.680
268 1HG2 THR 38 1HG2 THR 38 13.836 8.975 -6.735
269 2HG2 THR 38 2HG2 THR 38 14.042 9.013 -4.972
270 3HG2 THR 38 3HG2 THR 38 15.261 8.220 -5.991
271 H THR 39 H THR 39 11.531 5.273 -4.175
272 HA THR 39 HA THR 39 10.321 3.398 -6.207
273 HB THR 39 HB THR 39 12.661 3.222 -5.802
274 HG1 THR 39 HG1 THR 39 12.779 1.051 -5.550
275 1HG2 THR 39 1HG2 THR 39 12.060 2.400 -2.942
276 2HG2 THR 39 2HG2 THR 39 13.635 2.277 -3.738
277 3HG2 THR 39 3HG2 THR 39 12.923 3.864 -3.427
278 H CYS 40 H CYS 40 10.416 1.576 -4.568
279 HA CYS 40 HA CYS 40 8.443 2.024 -2.373
280 1HB CYS 40 1HB CYS 40 8.494 -0.354 -4.300
281 2HB CYS 40 2HB CYS 40 7.662 -0.405 -2.756
282 HA PRO 41 HA PRO 41 12.223 1.098 -0.336
283 1HB PRO 41 1HB PRO 41 11.462 1.450 2.267
284 2HB PRO 41 2HB PRO 41 11.528 2.771 1.077
285 1HG PRO 41 1HG PRO 41 9.102 1.128 1.852
286 2HG PRO 41 2HG PRO 41 9.238 2.907 1.822
287 1HD PRO 41 1HD PRO 41 8.171 1.674 -0.284
288 2HD PRO 41 2HD PRO 41 9.362 2.979 -0.540
289 H SER 42 H SER 42 13.107 -0.061 1.468
290 HA SER 42 HA SER 42 12.949 -2.886 1.420
291 1HB SER 42 1HB SER 42 13.843 -0.907 3.562
292 2HB SER 42 2HB SER 42 14.149 -2.652 3.619
293 HG SER 42 HG SER 42 15.032 -0.875 1.583
294 H SER 43 H SER 43 11.150 -0.376 3.300
295 HA SER 43 HA SER 43 10.155 -2.179 5.309
296 1HB SER 43 2HB SER 43 9.541 0.587 4.495
297 2HB SER 43 1HB SER 43 8.835 -0.197 5.900
298 HG SER 43 HG SER 43 11.597 0.262 5.463
299 H HIS 44 H HIS 44 9.263 -1.065 2.192
300 HA HIS 44 HA HIS 44 6.710 -2.661 2.155
301 1HB HIS 44 1HB HIS 44 6.907 0.331 1.644
302 2HB HIS 44 2HB HIS 44 5.548 -0.675 1.181
303 HD1 HIS 44 HD1 HIS 44 7.377 0.479 4.346
304 HD2 HIS 44 HD2 HIS 44 3.754 -1.240 3.087
305 HE1 HIS 44 HE1 HIS 44 5.846 0.370 6.392
306 HE2 HIS 44 HE2 HIS 44 3.618 -0.661 5.628
307 HA PRO 45 HA PRO 45 9.565 -2.898 -1.546
308 1HB PRO 45 1HB PRO 45 9.206 -5.551 -2.196
309 2HB PRO 45 2HB PRO 45 10.289 -4.975 -0.904
310 1HG PRO 45 1HG PRO 45 7.400 -5.873 -0.628
311 2HG PRO 45 2HG PRO 45 8.804 -6.491 0.289
312 1HD PRO 45 1HD PRO 45 7.327 -4.572 1.392
313 2HD PRO 45 2HD PRO 45 9.078 -4.380 1.435
314 H SER 46 H SER 46 6.016 -3.902 -1.503
315 HA SER 46 HA SER 46 6.101 -4.283 -4.396
316 1HB SER 46 1HB SER 46 4.753 -5.793 -3.269
317 2HB SER 46 2HB SER 46 4.073 -4.595 -2.202
318 HG SER 46 HG SER 46 3.700 -4.895 -5.030
319 HXT SER 46 HO OH 47 5.184 -1.159 -5.493
Start of MODEL 19
1 1H LYS 1 1H LYS 1 1.380 8.554 -3.711
2 2H LYS 1 2H LYS 1 2.768 9.163 -3.068
3 3H LYS 1 3H LYS 1 2.541 9.169 -4.703
4 HA LYS 1 HA LYS 1 2.520 6.825 -4.762
5 1HB LYS 1 1HB LYS 1 4.767 8.446 -4.518
6 2HB LYS 1 2HB LYS 1 5.093 7.179 -3.338
7 1HG LYS 1 1HG LYS 1 4.461 6.750 -6.285
8 2HG LYS 1 2HG LYS 1 6.051 6.729 -5.517
9 1HD LYS 1 1HD LYS 1 5.145 4.835 -4.006
10 2HD LYS 1 2HD LYS 1 3.774 4.751 -5.122
11 1HE LYS 1 1HE LYS 1 5.330 3.116 -5.906
12 2HE LYS 1 2HE LYS 1 5.474 4.470 -7.038
13 1HZ LYS 1 1HZ LYS 1 7.259 3.929 -4.780
14 2HZ LYS 1 2HZ LYS 1 7.577 3.618 -6.366
15 3HZ LYS 1 3HZ LYS 1 7.404 5.174 -5.850
16 H SER 2 H SER 2 2.230 4.885 -3.759
17 HA SER 2 HA SER 2 2.368 4.607 -0.802
18 1HB SER 2 1HB SER 2 -0.097 4.094 -2.529
19 2HB SER 2 2HB SER 2 0.109 3.510 -0.866
20 HG SER 2 HG SER 2 0.348 5.686 -0.216
21 H CYS 3 H CYS 3 3.237 2.781 -0.227
22 HA CYS 3 HA CYS 3 3.696 0.625 -2.232
23 1HB CYS 3 1HB CYS 3 5.653 2.045 -0.408
24 2HB CYS 3 2HB CYS 3 6.018 0.582 -1.323
25 H CYS 4 H CYS 4 3.735 -1.482 -1.437
26 HA CYS 4 HA CYS 4 2.797 -1.935 1.337
27 1HB CYS 4 1HB CYS 4 2.272 -3.137 -1.370
28 2HB CYS 4 2HB CYS 4 1.941 -4.027 0.063
29 H ARG 5 H ARG 5 3.252 -3.719 2.477
30 HA ARG 5 HA ARG 5 5.932 -4.360 2.388
31 1HB ARG 5 1HB ARG 5 5.349 -6.474 3.861
32 2HB ARG 5 2HB ARG 5 5.491 -4.861 4.483
33 1HG ARG 5 1HG ARG 5 2.794 -5.755 3.451
34 2HG ARG 5 2HG ARG 5 3.356 -6.427 4.985
35 1HD ARG 5 1HD ARG 5 3.613 -3.458 4.442
36 2HD ARG 5 2HD ARG 5 2.071 -4.123 4.938
37 HE ARG 5 HE ARG 5 4.410 -3.550 6.526
38 1HH1 ARG 5 1HH1 ARG 5 1.770 -5.949 6.443
39 2HH1 ARG 5 2HH1 ARG 5 1.932 -6.326 8.139
40 1HH2 ARG 5 1HH2 ARG 5 4.588 -4.080 8.714
41 2HH2 ARG 5 2HH2 ARG 5 3.519 -5.271 9.419
42 H ASN 6 H ASN 6 3.265 -5.809 0.509
43 HA ASN 6 HA ASN 6 4.996 -7.104 -1.012
44 1HB ASN 6 1HB ASN 6 4.270 -9.488 -0.815
45 2HB ASN 6 2HB ASN 6 5.182 -8.948 0.584
46 1HD2 ASN 6 2HD2 ASN 6 3.747 -11.212 0.853
47 2HD2 ASN 6 1HD2 ASN 6 2.358 -10.934 1.887
48 H THR 7 H THR 7 4.043 -8.380 -2.621
49 HA THR 7 HA THR 7 2.292 -6.709 -4.108
50 HB THR 7 HB THR 7 3.257 -9.442 -4.543
51 HG1 THR 7 HG1 THR 7 4.073 -6.926 -5.562
52 1HG2 THR 7 1HG2 THR 7 2.609 -8.915 -6.955
53 2HG2 THR 7 2HG2 THR 7 1.233 -9.104 -5.843
54 3HG2 THR 7 3HG2 THR 7 1.762 -7.469 -6.312
55 H LEU 8 H LEU 8 1.777 -9.350 -1.930
56 HA LEU 8 HA LEU 8 -0.921 -10.074 -2.380
57 1HB LEU 8 2HB LEU 8 1.313 -10.887 -0.969
58 2HB LEU 8 1HB LEU 8 0.585 -9.954 0.137
59 HG LEU 8 HG LEU 8 -0.755 -12.387 -1.102
60 1HD1 LEU 8 1HD1 LEU 8 1.086 -12.887 0.499
61 2HD1 LEU 8 2HD1 LEU 8 0.278 -11.899 1.732
62 3HD1 LEU 8 3HD1 LEU 8 -0.487 -13.390 1.147
63 1HD2 LEU 8 1HD2 LEU 8 -2.523 -10.800 -0.558
64 2HD2 LEU 8 2HD2 LEU 8 -2.521 -12.063 0.673
65 3HD2 LEU 8 3HD2 LEU 8 -1.810 -10.481 1.043
66 H ALA 9 H ALA 9 0.954 -7.901 -0.501
67 HA ALA 9 HA ALA 9 -1.377 -6.899 1.050
68 1HB ALA 9 1HB ALA 9 0.588 -6.751 2.248
69 2HB ALA 9 2HB ALA 9 1.425 -5.894 0.931
70 3HB ALA 9 3HB ALA 9 0.146 -5.066 1.835
71 H ARG 10 H ARG 10 0.493 -5.632 -1.601
72 HA ARG 10 HA ARG 10 -0.986 -3.319 -2.282
73 1HB ARG 10 1HB ARG 10 1.037 -3.700 -3.130
74 2HB ARG 10 2HB ARG 10 0.659 -5.304 -3.753
75 1HG ARG 10 1HG ARG 10 -0.784 -4.500 -5.464
76 2HG ARG 10 2HG ARG 10 -0.896 -2.868 -4.747
77 1HD ARG 10 1HD ARG 10 1.670 -4.174 -5.604
78 2HD ARG 10 2HD ARG 10 0.660 -3.166 -6.669
79 HE ARG 10 HE ARG 10 1.514 -2.108 -3.997
80 1HH1 ARG 10 1HH1 ARG 10 1.655 -1.556 -7.485
81 2HH1 ARG 10 2HH1 ARG 10 2.184 0.103 -7.283
82 1HH2 ARG 10 1HH2 ARG 10 2.258 -0.104 -3.743
83 2HH2 ARG 10 2HH2 ARG 10 2.549 0.937 -5.115
84 H ASN 11 H ASN 11 -1.418 -6.691 -3.030
85 HA ASN 11 HA ASN 11 -3.745 -6.346 -4.763
86 1HB ASN 11 1HB ASN 11 -2.893 -8.848 -3.263
87 2HB ASN 11 2HB ASN 11 -4.255 -8.772 -4.374
88 1HD2 ASN 11 2HD2 ASN 11 -2.127 -10.536 -4.768
89 2HD2 ASN 11 1HD2 ASN 11 -1.292 -10.070 -6.234
90 H CYS 12 H CYS 12 -3.660 -7.224 -1.281
91 HA CYS 12 HA CYS 12 -6.281 -6.862 -0.527
92 1HB CYS 12 1HB CYS 12 -4.669 -7.743 0.998
93 2HB CYS 12 2HB CYS 12 -3.672 -6.305 0.908
94 H TYR 13 H TYR 13 -3.729 -4.461 -0.709
95 HA TYR 13 HA TYR 13 -5.303 -2.193 -0.049
96 1HB TYR 13 1HB TYR 13 -2.896 -2.103 0.044
97 2HB TYR 13 2HB TYR 13 -2.769 -2.477 -1.657
98 HD1 TYR 13 HD1 TYR 13 -2.995 -0.818 -3.409
99 HD2 TYR 13 HD2 TYR 13 -3.324 0.197 0.761
100 HE1 TYR 13 HE1 TYR 13 -2.725 1.576 -3.984
101 HE2 TYR 13 HE2 TYR 13 -3.055 2.604 0.204
102 HH TYR 13 HH TYR 13 -2.844 4.174 -1.493
103 H ASN 14 H ASN 14 -4.823 -3.618 -3.247
104 HA ASN 14 HA ASN 14 -6.305 -1.593 -4.701
105 1HB ASN 14 1HB ASN 14 -5.429 -4.411 -5.459
106 2HB ASN 14 2HB ASN 14 -6.154 -3.246 -6.571
107 1HD2 ASN 14 2HD2 ASN 14 -3.542 -4.534 -6.826
108 2HD2 ASN 14 1HD2 ASN 14 -2.364 -3.237 -6.872
109 H ALA 15 H ALA 15 -6.928 -4.575 -3.061
110 HA ALA 15 HA ALA 15 -9.643 -4.978 -3.996
111 1HB ALA 15 1HB ALA 15 -8.228 -6.853 -3.196
112 2HB ALA 15 2HB ALA 15 -8.229 -6.134 -1.564
113 3HB ALA 15 3HB ALA 15 -9.744 -6.696 -2.277
114 H CYS 16 H CYS 16 -8.188 -3.389 -1.043
115 HA CYS 16 HA CYS 16 -10.774 -2.905 0.134
116 1HB CYS 16 1HB CYS 16 -9.130 -2.810 1.710
117 2HB CYS 16 2HB CYS 16 -7.927 -2.107 0.641
118 H ARG 17 H ARG 17 -8.628 -1.468 -2.267
119 HA ARG 17 HA ARG 17 -10.040 1.040 -2.467
120 1HB ARG 17 2HB ARG 17 -7.621 0.714 -3.140
121 2HB ARG 17 1HB ARG 17 -8.198 -0.244 -4.496
122 1HG ARG 17 1HG ARG 17 -7.768 1.784 -5.487
123 2HG ARG 17 2HG ARG 17 -9.503 1.915 -5.203
124 1HD ARG 17 1HD ARG 17 -7.239 3.086 -3.505
125 2HD ARG 17 2HD ARG 17 -8.290 4.002 -4.582
126 HE ARG 17 HE ARG 17 -8.923 2.808 -1.957
127 1HH1 ARG 17 1HH1 ARG 17 -10.284 4.525 -4.775
128 2HH1 ARG 17 2HH1 ARG 17 -11.828 4.773 -3.999
129 1HH2 ARG 17 1HH2 ARG 17 -10.953 3.131 -1.003
130 2HH2 ARG 17 2HH2 ARG 17 -12.203 3.993 -1.871
131 H PHE 18 H PHE 18 -10.388 -2.153 -3.961
132 HA PHE 18 HA PHE 18 -12.545 -1.560 -5.735
133 1HB PHE 18 1HB PHE 18 -11.184 -3.801 -5.345
134 2HB PHE 18 2HB PHE 18 -12.347 -4.152 -4.144
135 HD1 PHE 18 HD1 PHE 18 -11.818 -3.936 -7.749
136 HD2 PHE 18 HD2 PHE 18 -14.781 -4.411 -4.631
137 HE1 PHE 18 HE1 PHE 18 -13.432 -4.841 -9.408
138 HE2 PHE 18 HE2 PHE 18 -16.389 -5.295 -6.294
139 HZ PHE 18 HZ PHE 18 -15.725 -5.507 -8.694
140 H THR 19 H THR 19 -12.447 -2.809 -2.310
141 HA THR 19 HA THR 19 -15.207 -2.516 -1.860
142 HB THR 19 HB THR 19 -14.809 -3.175 0.253
143 HG1 THR 19 HG1 THR 19 -12.406 -1.850 0.168
144 1HG2 THR 19 1HG2 THR 19 -12.349 -4.549 -0.384
145 2HG2 THR 19 2HG2 THR 19 -13.962 -5.180 -0.109
146 3HG2 THR 19 3HG2 THR 19 -13.525 -4.632 -1.721
147 H GLY 20 H GLY 20 -15.911 -1.362 0.286
148 1HA GLY 20 1HA GLY 20 -15.901 1.552 -0.223
149 2HA GLY 20 2HA GLY 20 -16.950 0.644 0.864
150 H GLY 21 H GLY 21 -13.511 0.088 0.787
151 1HA GLY 21 1HA GLY 21 -12.925 1.403 3.367
152 2HA GLY 21 2HA GLY 21 -12.005 0.096 2.590
153 H SER 22 H SER 22 -12.091 3.378 2.968
154 HA SER 22 HA SER 22 -11.433 4.598 0.595
155 1HB SER 22 2HB SER 22 -10.786 5.371 3.351
156 2HB SER 22 1HB SER 22 -10.870 6.431 1.945
157 HG SER 22 HG SER 22 -12.767 6.546 3.192
158 H GLN 23 H GLN 23 -9.443 5.641 0.574
159 HA GLN 23 HA GLN 23 -7.368 3.713 -0.139
160 1HB GLN 23 1HB GLN 23 -7.818 5.648 -1.592
161 2HB GLN 23 2HB GLN 23 -7.084 6.731 -0.408
162 1HG GLN 23 1HG GLN 23 -4.945 5.492 -0.581
163 2HG GLN 23 2HG GLN 23 -5.671 4.354 -1.723
164 1HE2 GLN 23 2HE2 GLN 23 -6.704 5.437 -3.744
165 2HE2 GLN 23 1HE2 GLN 23 -5.783 6.738 -4.467
166 HA PRO 24 HA PRO 24 -5.155 5.572 3.796
167 1HB PRO 24 1HB PRO 24 -7.842 6.194 5.156
168 2HB PRO 24 2HB PRO 24 -6.261 6.846 5.537
169 1HG PRO 24 1HG PRO 24 -7.993 8.311 4.038
170 2HG PRO 24 2HG PRO 24 -6.316 8.149 3.414
171 1HD PRO 24 1HD PRO 24 -8.715 6.400 2.778
172 2HD PRO 24 2HD PRO 24 -7.708 7.274 1.608
173 H THR 25 H THR 25 -8.378 4.344 4.283
174 HA THR 25 HA THR 25 -7.742 2.393 6.280
175 HB THR 25 HB THR 25 -9.887 2.553 4.283
176 HG1 THR 25 HG1 THR 25 -9.948 3.989 6.016
177 1HG2 THR 25 1HG2 THR 25 -11.052 0.669 5.586
178 2HG2 THR 25 2HG2 THR 25 -9.634 0.129 4.700
179 3HG2 THR 25 3HG2 THR 25 -9.508 0.438 6.440
180 H CYS 26 H CYS 26 -7.513 2.157 2.821
181 HA CYS 26 HA CYS 26 -6.748 -0.644 2.727
182 1HB CYS 26 1HB CYS 26 -5.953 1.501 0.702
183 2HB CYS 26 2HB CYS 26 -6.034 -0.231 0.468
184 H GLY 27 H GLY 27 -4.859 2.313 2.661
185 1HA GLY 27 1HA GLY 27 -2.328 1.041 2.809
186 2HA GLY 27 2HA GLY 27 -2.640 2.701 3.339
187 H ILE 28 H ILE 28 -4.571 1.945 5.512
188 HA ILE 28 HA ILE 28 -2.694 0.962 7.414
189 HB ILE 28 HB ILE 28 -5.713 1.528 7.484
190 1HG1 ILE 28 1HG1 ILE 28 -4.923 3.273 9.275
191 2HG1 ILE 28 2HG1 ILE 28 -3.263 2.845 8.834
192 1HG2 ILE 28 1HG2 ILE 28 -5.606 -0.198 9.021
193 2HG2 ILE 28 2HG2 ILE 28 -4.147 0.470 9.793
194 3HG2 ILE 28 3HG2 ILE 28 -5.736 1.292 9.923
195 1HD1 ILE 28 1HD1 ILE 28 -3.984 4.962 7.851
196 2HD1 ILE 28 2HD1 ILE 28 -3.684 3.794 6.567
197 3HD1 ILE 28 3HD1 ILE 28 -5.364 4.173 7.086
198 H LEU 29 H LEU 29 -5.550 -0.522 6.019
199 HA LEU 29 HA LEU 29 -5.502 -2.547 8.044
200 1HB LEU 29 1HB LEU 29 -7.036 -2.531 5.410
201 2HB LEU 29 2HB LEU 29 -7.187 -3.828 6.603
202 HG LEU 29 HG LEU 29 -7.793 -0.942 7.110
203 1HD1 LEU 29 1HD2 LEU 29 -10.204 -1.716 7.088
204 2HD1 LEU 29 2HD2 LEU 29 -9.417 -2.069 5.539
205 3HD1 LEU 29 3HD2 LEU 29 -9.656 -3.361 6.729
206 1HD2 LEU 29 1HD1 LEU 29 -7.223 -1.986 9.255
207 2HD2 LEU 29 2HD1 LEU 29 -8.969 -1.809 9.182
208 3HD2 LEU 29 3HD1 LEU 29 -8.238 -3.395 8.877
209 H CYS 30 H CYS 30 -4.758 -2.291 4.716
210 HA CYS 30 HA CYS 30 -3.397 -4.903 4.387
211 1HB CYS 30 1HB CYS 30 -3.412 -2.509 2.522
212 2HB CYS 30 2HB CYS 30 -2.951 -4.132 2.143
213 H ASP 31 H ASP 31 -2.456 -2.067 6.008
214 HA ASP 31 HA ASP 31 -0.487 -1.278 6.726
215 1HB ASP 31 1HB ASP 31 0.336 -4.160 6.178
216 2HB ASP 31 2HB ASP 31 1.356 -2.979 7.003
217 HD2 ASP 31 HD2 ASP 31 -1.832 -4.447 7.164
218 H CYS 32 H CYS 32 -1.039 -0.761 4.025
219 HA CYS 32 HA CYS 32 1.608 -0.682 2.639
220 1HB CYS 32 1HB CYS 32 -1.068 -0.323 1.726
221 2HB CYS 32 2HB CYS 32 -0.308 1.263 1.603
222 H ILE 33 H ILE 33 2.371 1.783 2.094
223 HA ILE 33 HA ILE 33 1.746 3.634 4.368
224 HB ILE 33 HB ILE 33 4.185 4.282 4.287
225 1HG1 ILE 33 1HG1 ILE 33 4.576 1.635 2.848
226 2HG1 ILE 33 2HG1 ILE 33 4.564 3.185 1.985
227 1HG2 ILE 33 1HG2 ILE 33 3.233 2.883 6.072
228 2HG2 ILE 33 2HG2 ILE 33 3.633 1.427 5.151
229 3HG2 ILE 33 3HG2 ILE 33 4.920 2.491 5.745
230 1HD1 ILE 33 1HD1 ILE 33 6.475 3.927 3.364
231 2HD1 ILE 33 2HD1 ILE 33 6.512 2.347 4.164
232 3HD1 ILE 33 3HD1 ILE 33 6.819 2.463 2.422
233 H HIS 34 H HIS 34 3.258 5.752 3.454
234 HA HIS 34 HA HIS 34 2.554 6.176 0.655
235 1HB HIS 34 1HB HIS 34 0.703 7.205 1.972
236 2HB HIS 34 2HB HIS 34 1.877 8.222 2.807
237 HD1 HIS 34 HD1 HIS 34 -0.171 7.993 -0.278
238 HD2 HIS 34 HD2 HIS 34 3.278 10.062 1.009
239 HE1 HIS 34 HE1 HIS 34 0.217 9.922 -1.917
240 HE2 HIS 34 HE2 HIS 34 2.314 11.180 -1.151
241 H VAL 35 H VAL 35 4.415 6.520 -0.310
242 HA VAL 35 HA VAL 35 6.626 7.895 1.168
243 HB VAL 35 HB VAL 35 8.143 7.009 -0.313
244 1HG1 VAL 35 1HG1 VAL 35 6.630 4.792 0.955
245 2HG1 VAL 35 2HG1 VAL 35 8.344 4.832 0.505
246 3HG1 VAL 35 3HG1 VAL 35 7.774 5.922 1.766
247 1HG2 VAL 35 1HG2 VAL 35 7.176 6.461 -2.380
248 2HG2 VAL 35 2HG2 VAL 35 7.657 4.918 -1.646
249 3HG2 VAL 35 3HG2 VAL 35 5.965 5.383 -1.616
250 H THR 36 H THR 36 7.680 9.466 0.321
251 HA THR 36 HA THR 36 7.262 10.206 -2.499
252 HB THR 36 HB THR 36 7.878 12.541 -2.050
253 HG1 THR 36 HG1 THR 36 8.900 12.207 -0.027
254 1HG2 THR 36 1HG2 THR 36 5.696 13.244 -1.201
255 2HG2 THR 36 2HG2 THR 36 5.507 11.811 -2.240
256 3HG2 THR 36 3HG2 THR 36 5.421 11.638 -0.474
257 H THR 37 H THR 37 8.640 8.099 -1.664
258 HA THR 37 HA THR 37 11.265 8.370 -0.980
259 HB THR 37 HB THR 37 11.456 6.102 -2.036
260 HG1 THR 37 HG1 THR 37 9.610 6.357 -3.259
261 1HG2 THR 37 1HG2 THR 37 10.495 5.069 -0.065
262 2HG2 THR 37 2HG2 THR 37 11.695 6.324 0.220
263 3HG2 THR 37 3HG2 THR 37 10.009 6.689 0.513
264 H THR 38 H THR 38 12.615 7.352 -2.644
265 HA THR 38 HA THR 38 12.937 8.293 -5.401
266 HB THR 38 HB THR 38 14.689 7.207 -4.012
267 HG1 THR 38 HG1 THR 38 14.816 7.424 -6.296
268 1HG2 THR 38 1HG2 THR 38 15.112 4.917 -3.828
269 2HG2 THR 38 2HG2 THR 38 13.559 5.250 -3.070
270 3HG2 THR 38 3HG2 THR 38 13.641 4.480 -4.682
271 H THR 39 H THR 39 11.739 5.257 -3.942
272 HA THR 39 HA THR 39 9.601 4.554 -5.674
273 HB THR 39 HB THR 39 11.948 2.848 -5.530
274 HG1 THR 39 HG1 THR 39 11.751 4.853 -7.519
275 1HG2 THR 39 1HG2 THR 39 9.788 3.255 -7.597
276 2HG2 THR 39 2HG2 THR 39 11.164 2.143 -7.839
277 3HG2 THR 39 3HG2 THR 39 10.017 1.842 -6.526
278 H CYS 40 H CYS 40 9.141 2.350 -5.002
279 HA CYS 40 HA CYS 40 8.402 2.288 -2.358
280 1HB CYS 40 1HB CYS 40 8.547 0.001 -4.369
281 2HB CYS 40 2HB CYS 40 7.841 -0.187 -2.771
282 HA PRO 41 HA PRO 41 12.318 1.399 -0.478
283 1HB PRO 41 1HB PRO 41 11.622 1.575 2.137
284 2HB PRO 41 2HB PRO 41 11.529 2.969 1.035
285 1HG PRO 41 1HG PRO 41 9.269 1.078 1.758
286 2HG PRO 41 2HG PRO 41 9.268 2.864 1.867
287 1HD PRO 41 1HD PRO 41 8.231 1.683 -0.291
288 2HD PRO 41 2HD PRO 41 9.282 3.112 -0.487
289 H SER 42 H SER 42 13.299 0.139 1.198
290 HA SER 42 HA SER 42 13.144 -2.678 0.922
291 1HB SER 42 1HB SER 42 14.239 -0.881 3.129
292 2HB SER 42 2HB SER 42 14.538 -2.630 3.000
293 HG SER 42 HG SER 42 15.505 -2.213 0.954
294 H SER 43 H SER 43 11.465 -0.339 3.103
295 HA SER 43 HA SER 43 10.698 -2.328 5.056
296 1HB SER 43 1HB SER 43 9.476 -0.437 5.975
297 2HB SER 43 2HB SER 43 11.121 0.073 5.587
298 HG SER 43 HG SER 43 10.262 0.992 3.672
299 H HIS 44 H HIS 44 9.551 -1.082 2.082
300 HA HIS 44 HA HIS 44 7.001 -2.667 2.148
301 1HB HIS 44 1HB HIS 44 7.065 0.329 1.893
302 2HB HIS 44 2HB HIS 44 5.719 -0.702 1.442
303 HD1 HIS 44 HD1 HIS 44 7.687 0.289 4.567
304 HD2 HIS 44 HD2 HIS 44 4.104 -1.597 3.405
305 HE1 HIS 44 HE1 HIS 44 6.308 -0.070 6.685
306 HE2 HIS 44 HE2 HIS 44 4.125 -1.238 5.997
307 HA PRO 45 HA PRO 45 9.580 -2.431 -1.753
308 1HB PRO 45 1HB PRO 45 9.653 -5.065 -2.498
309 2HB PRO 45 2HB PRO 45 10.644 -4.381 -1.188
310 1HG PRO 45 1HG PRO 45 7.975 -5.780 -0.908
311 2HG PRO 45 2HG PRO 45 9.489 -6.159 -0.040
312 1HD PRO 45 1HD PRO 45 7.616 -4.594 1.083
313 2HD PRO 45 2HD PRO 45 9.330 -4.153 1.261
314 H SER 46 H SER 46 6.225 -3.816 -1.550
315 HA SER 46 HA SER 46 6.033 -4.191 -4.413
316 1HB SER 46 1HB SER 46 4.824 -5.703 -3.173
317 2HB SER 46 2HB SER 46 4.222 -4.543 -2.009
318 HG SER 46 HG SER 46 2.997 -3.654 -3.753
319 HXT SER 46 HO OH 47 5.048 -1.050 -5.414
Start of MODEL 20
1 1H LYS 1 1H LYS 1 3.950 9.365 -3.110
2 2H LYS 1 2H LYS 1 3.947 9.276 -4.758
3 3H LYS 1 3H LYS 1 2.551 9.025 -3.924
4 HA LYS 1 HA LYS 1 3.407 6.994 -4.698
5 1HB LYS 1 1HB LYS 1 5.736 7.622 -4.860
6 2HB LYS 1 2HB LYS 1 5.836 7.734 -3.104
7 1HG LYS 1 1HG LYS 1 6.871 5.676 -3.639
8 2HG LYS 1 2HG LYS 1 5.313 5.262 -2.979
9 1HD LYS 1 1HD LYS 1 5.473 3.839 -4.795
10 2HD LYS 1 2HD LYS 1 4.555 5.155 -5.492
11 1HE LYS 1 1HE LYS 1 6.378 4.481 -7.048
12 2HE LYS 1 2HE LYS 1 6.733 6.104 -6.435
13 1HZ LYS 1 1HZ LYS 1 8.629 4.726 -6.456
14 2HZ LYS 1 2HZ LYS 1 8.262 5.077 -4.893
15 3HZ LYS 1 3HZ LYS 1 7.926 3.589 -5.510
16 H SER 2 H SER 2 2.935 5.117 -3.666
17 HA SER 2 HA SER 2 2.532 4.955 -0.771
18 1HB SER 2 1HB SER 2 0.148 4.309 -0.984
19 2HB SER 2 2HB SER 2 0.415 5.998 -1.435
20 HG SER 2 HG SER 2 0.200 3.830 -3.247
21 H CYS 3 H CYS 3 3.761 3.242 -0.503
22 HA CYS 3 HA CYS 3 3.934 1.104 -2.541
23 1HB CYS 3 1HB CYS 3 5.731 1.879 -0.219
24 2HB CYS 3 2HB CYS 3 6.042 0.591 -1.386
25 H CYS 4 H CYS 4 3.539 -1.164 -1.898
26 HA CYS 4 HA CYS 4 2.273 -1.514 0.734
27 1HB CYS 4 1HB CYS 4 2.002 -2.882 -1.955
28 2HB CYS 4 2HB CYS 4 1.394 -3.562 -0.506
29 H ARG 5 H ARG 5 2.562 -3.193 1.836
30 HA ARG 5 HA ARG 5 5.116 -3.918 2.375
31 1HB ARG 5 1HB ARG 5 3.409 -3.692 4.031
32 2HB ARG 5 2HB ARG 5 2.326 -4.789 3.170
33 1HG ARG 5 1HG ARG 5 2.949 -5.911 5.061
34 2HG ARG 5 2HG ARG 5 3.796 -6.680 3.727
35 1HD ARG 5 1HD ARG 5 5.410 -6.352 5.616
36 2HD ARG 5 2HD ARG 5 5.860 -5.293 4.270
37 HE ARG 5 HE ARG 5 5.562 -3.489 5.574
38 1HH1 ARG 5 1HH1 ARG 5 3.664 -6.092 7.104
39 2HH1 ARG 5 2HH1 ARG 5 3.218 -5.099 8.473
40 1HH2 ARG 5 1HH2 ARG 5 4.972 -2.251 7.380
41 2HH2 ARG 5 2HH2 ARG 5 3.945 -2.931 8.620
42 H ASN 6 H ASN 6 2.971 -5.386 0.163
43 HA ASN 6 HA ASN 6 4.769 -6.693 -1.163
44 1HB ASN 6 1HB ASN 6 3.838 -9.193 -0.778
45 2HB ASN 6 2HB ASN 6 5.233 -8.567 0.071
46 1HD2 ASN 6 2HD2 ASN 6 1.912 -7.589 0.966
47 2HD2 ASN 6 1HD2 ASN 6 1.912 -8.427 2.501
48 H THR 7 H THR 7 3.870 -8.092 -2.768
49 HA THR 7 HA THR 7 1.879 -6.684 -4.259
50 HB THR 7 HB THR 7 3.080 -9.342 -4.561
51 HG1 THR 7 HG1 THR 7 3.542 -6.827 -5.792
52 1HG2 THR 7 1HG2 THR 7 2.226 -9.019 -6.947
53 2HG2 THR 7 2HG2 THR 7 0.985 -9.363 -5.716
54 3HG2 THR 7 3HG2 THR 7 1.219 -7.687 -6.281
55 H LEU 8 H LEU 8 1.705 -9.152 -1.803
56 HA LEU 8 HA LEU 8 -0.935 -10.141 -1.965
57 1HB LEU 8 2HB LEU 8 1.453 -10.572 -0.642
58 2HB LEU 8 1HB LEU 8 0.703 -9.598 0.404
59 HG LEU 8 HG LEU 8 -0.472 -12.262 -0.465
60 1HD1 LEU 8 1HD1 LEU 8 1.517 -12.432 1.012
61 2HD1 LEU 8 2HD1 LEU 8 0.744 -11.354 2.194
62 3HD1 LEU 8 3HD1 LEU 8 0.056 -12.958 1.865
63 1HD2 LEU 8 1HD2 LEU 8 -2.338 -10.774 0.071
64 2HD2 LEU 8 2HD2 LEU 8 -2.123 -11.895 1.418
65 3HD2 LEU 8 3HD2 LEU 8 -1.534 -10.223 1.554
66 H ALA 9 H ALA 9 0.814 -7.594 -0.468
67 HA ALA 9 HA ALA 9 -1.442 -6.644 1.219
68 1HB ALA 9 1HB ALA 9 0.644 -6.223 2.132
69 2HB ALA 9 2HB ALA 9 1.167 -5.321 0.682
70 3HB ALA 9 3HB ALA 9 -0.095 -4.655 1.706
71 H ARG 10 H ARG 10 0.113 -5.635 -1.690
72 HA ARG 10 HA ARG 10 -1.319 -3.459 -2.653
73 1HB ARG 10 1HB ARG 10 0.885 -4.176 -3.347
74 2HB ARG 10 2HB ARG 10 0.229 -5.761 -3.712
75 1HG ARG 10 1HG ARG 10 0.818 -4.492 -5.738
76 2HG ARG 10 2HG ARG 10 -0.854 -5.078 -5.674
77 1HD ARG 10 1HD ARG 10 -0.703 -2.810 -6.409
78 2HD ARG 10 2HD ARG 10 -1.623 -2.975 -4.871
79 HE ARG 10 HE ARG 10 1.023 -2.310 -4.202
80 1HH1 ARG 10 1HH1 ARG 10 -1.804 -0.703 -5.635
81 2HH1 ARG 10 2HH1 ARG 10 -1.311 0.877 -5.071
82 1HH2 ARG 10 1HH2 ARG 10 1.662 -0.273 -3.543
83 2HH2 ARG 10 2HH2 ARG 10 0.664 1.121 -3.863
84 H ASN 11 H ASN 11 -1.807 -6.914 -2.829
85 HA ASN 11 HA ASN 11 -4.131 -6.767 -4.642
86 1HB ASN 11 1HB ASN 11 -3.073 -9.066 -2.958
87 2HB ASN 11 2HB ASN 11 -4.527 -9.172 -3.948
88 1HD2 ASN 11 2HD2 ASN 11 -2.397 -10.911 -4.371
89 2HD2 ASN 11 1HD2 ASN 11 -1.688 -10.547 -5.928
90 H CYS 12 H CYS 12 -3.835 -7.422 -1.121
91 HA CYS 12 HA CYS 12 -6.411 -7.074 -0.228
92 1HB CYS 12 1HB CYS 12 -4.713 -7.856 1.229
93 2HB CYS 12 2HB CYS 12 -3.709 -6.440 0.973
94 H TYR 13 H TYR 13 -4.001 -4.633 -0.917
95 HA TYR 13 HA TYR 13 -5.572 -2.382 -0.111
96 1HB TYR 13 1HB TYR 13 -3.176 -2.242 -0.187
97 2HB TYR 13 2HB TYR 13 -3.144 -2.636 -1.899
98 HD1 TYR 13 HD1 TYR 13 -3.803 -0.982 -3.638
99 HD2 TYR 13 HD2 TYR 13 -3.303 0.063 0.519
100 HE1 TYR 13 HE1 TYR 13 -3.714 1.417 -4.254
101 HE2 TYR 13 HE2 TYR 13 -3.202 2.462 -0.090
102 HH TYR 13 HH TYR 13 -3.351 4.021 -1.796
103 H ASN 14 H ASN 14 -5.107 -3.794 -3.322
104 HA ASN 14 HA ASN 14 -6.770 -1.913 -4.765
105 1HB ASN 14 1HB ASN 14 -5.842 -4.736 -5.449
106 2HB ASN 14 2HB ASN 14 -6.669 -3.650 -6.565
107 1HD2 ASN 14 2HD2 ASN 14 -3.930 -4.885 -6.723
108 2HD2 ASN 14 1HD2 ASN 14 -2.849 -3.529 -6.966
109 H ALA 15 H ALA 15 -7.204 -4.830 -2.963
110 HA ALA 15 HA ALA 15 -9.972 -5.310 -3.677
111 1HB ALA 15 1HB ALA 15 -9.932 -6.932 -1.834
112 2HB ALA 15 2HB ALA 15 -8.527 -7.157 -2.909
113 3HB ALA 15 3HB ALA 15 -8.343 -6.347 -1.328
114 H CYS 16 H CYS 16 -8.309 -3.610 -0.854
115 HA CYS 16 HA CYS 16 -10.819 -3.163 0.486
116 1HB CYS 16 1HB CYS 16 -9.104 -2.909 1.937
117 2HB CYS 16 2HB CYS 16 -7.951 -2.323 0.752
118 H ARG 17 H ARG 17 -8.992 -1.696 -2.159
119 HA ARG 17 HA ARG 17 -10.493 0.757 -2.211
120 1HB ARG 17 2HB ARG 17 -8.227 0.657 -3.091
121 2HB ARG 17 1HB ARG 17 -8.723 -0.514 -4.319
122 1HG ARG 17 1HG ARG 17 -8.461 1.579 -5.361
123 2HG ARG 17 2HG ARG 17 -10.192 1.269 -5.343
124 1HD ARG 17 1HD ARG 17 -8.705 3.043 -3.348
125 2HD ARG 17 2HD ARG 17 -9.488 3.640 -4.821
126 HE ARG 17 HE ARG 17 -11.313 2.137 -3.172
127 1HH1 ARG 17 1HH1 ARG 17 -9.866 5.378 -3.483
128 2HH1 ARG 17 2HH1 ARG 17 -11.130 6.133 -2.541
129 1HH2 ARG 17 1HH2 ARG 17 -12.929 3.145 -1.991
130 2HH2 ARG 17 2HH2 ARG 17 -12.885 4.872 -1.715
131 H PHE 18 H PHE 18 -10.807 -2.463 -3.715
132 HA PHE 18 HA PHE 18 -13.102 -2.015 -5.326
133 1HB PHE 18 1HB PHE 18 -11.619 -4.185 -4.968
134 2HB PHE 18 2HB PHE 18 -12.688 -4.553 -3.681
135 HD1 PHE 18 HD1 PHE 18 -15.116 -4.958 -3.999
136 HD2 PHE 18 HD2 PHE 18 -12.418 -4.385 -7.331
137 HE1 PHE 18 HE1 PHE 18 -16.812 -5.914 -5.537
138 HE2 PHE 18 HE2 PHE 18 -14.115 -5.371 -8.865
139 HZ PHE 18 HZ PHE 18 -16.321 -6.122 -7.970
140 H THR 19 H THR 19 -12.742 -3.168 -1.890
141 HA THR 19 HA THR 19 -15.465 -2.911 -1.225
142 HB THR 19 HB THR 19 -14.852 -3.476 0.888
143 HG1 THR 19 HG1 THR 19 -12.879 -3.197 1.824
144 1HG2 THR 19 1HG2 THR 19 -13.811 -5.008 -1.149
145 2HG2 THR 19 2HG2 THR 19 -12.446 -4.823 -0.027
146 3HG2 THR 19 3HG2 THR 19 -13.964 -5.486 0.541
147 H GLY 20 H GLY 20 -15.910 -1.628 0.992
148 1HA GLY 20 1HA GLY 20 -16.093 1.220 0.247
149 2HA GLY 20 2HA GLY 20 -16.877 0.390 1.598
150 H GLY 21 H GLY 21 -13.486 -0.121 0.986
151 1HA GLY 21 1HA GLY 21 -12.560 1.368 3.358
152 2HA GLY 21 2HA GLY 21 -11.772 0.015 2.547
153 H SER 22 H SER 22 -11.894 3.335 2.719
154 HA SER 22 HA SER 22 -11.118 4.294 0.217
155 1HB SER 22 2HB SER 22 -10.699 5.327 2.943
156 2HB SER 22 1HB SER 22 -10.546 6.261 1.474
157 HG SER 22 HG SER 22 -12.586 6.567 2.464
158 H GLN 23 H GLN 23 -9.110 5.421 0.321
159 HA GLN 23 HA GLN 23 -6.977 3.475 -0.168
160 1HB GLN 23 1HB GLN 23 -6.999 6.475 -0.606
161 2HB GLN 23 2HB GLN 23 -5.538 5.492 -0.797
162 1HG GLN 23 1HG GLN 23 -6.738 4.034 -2.418
163 2HG GLN 23 2HG GLN 23 -8.162 5.065 -2.248
164 1HE2 GLN 23 2HE2 GLN 23 -4.681 5.093 -3.203
165 2HE2 GLN 23 1HE2 GLN 23 -4.832 6.400 -4.359
166 HA PRO 24 HA PRO 24 -5.008 5.434 3.801
167 1HB PRO 24 1HB PRO 24 -7.775 6.188 4.972
168 2HB PRO 24 2HB PRO 24 -6.210 6.816 5.448
169 1HG PRO 24 1HG PRO 24 -7.809 8.248 3.771
170 2HG PRO 24 2HG PRO 24 -6.106 8.027 3.251
171 1HD PRO 24 1HD PRO 24 -8.508 6.288 2.572
172 2HD PRO 24 2HD PRO 24 -7.411 7.087 1.424
173 H THR 25 H THR 25 -8.260 4.261 4.117
174 HA THR 25 HA THR 25 -7.727 2.343 6.203
175 HB THR 25 HB THR 25 -9.772 2.449 4.117
176 HG1 THR 25 HG1 THR 25 -11.116 2.774 5.934
177 1HG2 THR 25 1HG2 THR 25 -10.891 0.459 5.341
178 2HG2 THR 25 2HG2 THR 25 -9.420 0.020 4.483
179 3HG2 THR 25 3HG2 THR 25 -9.364 0.256 6.228
180 H CYS 26 H CYS 26 -7.351 2.078 2.743
181 HA CYS 26 HA CYS 26 -6.666 -0.739 2.791
182 1HB CYS 26 1HB CYS 26 -5.900 1.353 0.672
183 2HB CYS 26 2HB CYS 26 -5.901 -0.385 0.472
184 H GLY 27 H GLY 27 -4.677 2.169 2.644
185 1HA GLY 27 1HA GLY 27 -2.230 0.740 2.933
186 2HA GLY 27 2HA GLY 27 -2.441 2.487 3.180
187 H ILE 28 H ILE 28 -4.619 1.690 5.316
188 HA ILE 28 HA ILE 28 -2.782 1.064 7.482
189 HB ILE 28 HB ILE 28 -5.807 1.351 7.341
190 1HG1 ILE 28 1HG1 ILE 28 -3.846 3.072 8.945
191 2HG1 ILE 28 2HG1 ILE 28 -4.074 3.409 7.235
192 1HG2 ILE 28 1HG2 ILE 28 -5.509 -0.222 9.043
193 2HG2 ILE 28 2HG2 ILE 28 -4.091 0.636 9.692
194 3HG2 ILE 28 3HG2 ILE 28 -5.739 1.318 9.853
195 1HD1 ILE 28 1HD1 ILE 28 -6.308 3.399 9.298
196 2HD1 ILE 28 2HD1 ILE 28 -5.545 4.814 8.540
197 3HD1 ILE 28 3HD1 ILE 28 -6.494 3.683 7.557
198 H LEU 29 H LEU 29 -5.544 -0.564 6.094
199 HA LEU 29 HA LEU 29 -5.488 -2.658 7.976
200 1HB LEU 29 1HB LEU 29 -7.609 -2.863 7.425
201 2HB LEU 29 2HB LEU 29 -7.383 -1.701 6.165
202 HG LEU 29 HG LEU 29 -6.548 -3.575 4.755
203 1HD1 LEU 29 1HD1 LEU 29 -8.233 -5.221 6.720
204 2HD1 LEU 29 2HD1 LEU 29 -7.546 -5.828 5.202
205 3HD1 LEU 29 3HD1 LEU 29 -6.484 -5.385 6.542
206 1HD2 LEU 29 1HD2 LEU 29 -9.494 -3.374 5.496
207 2HD2 LEU 29 2HD2 LEU 29 -8.629 -2.386 4.303
208 3HD2 LEU 29 3HD2 LEU 29 -8.878 -4.118 4.001
209 H CYS 30 H CYS 30 -4.445 -2.262 4.718
210 HA CYS 30 HA CYS 30 -3.122 -4.913 4.570
211 1HB CYS 30 1HB CYS 30 -3.072 -2.716 2.487
212 2HB CYS 30 2HB CYS 30 -2.721 -4.420 2.295
213 H ASP 31 H ASP 31 -2.213 -1.916 5.949
214 HA ASP 31 HA ASP 31 -0.215 -0.981 6.433
215 1HB ASP 31 1HB ASP 31 0.894 -3.793 5.984
216 2HB ASP 31 2HB ASP 31 1.722 -2.466 6.766
217 HD2 ASP 31 HD2 ASP 31 -1.137 -4.450 6.968
218 H CYS 32 H CYS 32 -0.960 -0.268 4.037
219 HA CYS 32 HA CYS 32 1.643 -0.040 2.445
220 1HB CYS 32 1HB CYS 32 -1.006 0.861 1.305
221 2HB CYS 32 2HB CYS 32 0.528 0.665 0.542
222 H ILE 33 H ILE 33 2.496 2.018 1.996
223 HA ILE 33 HA ILE 33 1.834 3.925 4.225
224 HB ILE 33 HB ILE 33 4.291 4.259 4.321
225 1HG1 ILE 33 1HG1 ILE 33 4.522 1.827 2.500
226 2HG1 ILE 33 2HG1 ILE 33 4.720 3.476 1.909
227 1HG2 ILE 33 1HG2 ILE 33 3.076 2.726 5.823
228 2HG2 ILE 33 2HG2 ILE 33 3.422 1.385 4.721
229 3HG2 ILE 33 3HG2 ILE 33 4.745 2.233 5.552
230 1HD1 ILE 33 1HD1 ILE 33 6.628 3.813 3.420
231 2HD1 ILE 33 2HD1 ILE 33 6.428 2.191 4.075
232 3HD1 ILE 33 3HD1 ILE 33 6.878 2.403 2.380
233 H HIS 34 H HIS 34 3.742 5.828 3.425
234 HA HIS 34 HA HIS 34 3.230 6.562 0.685
235 1HB HIS 34 1HB HIS 34 1.406 7.751 1.930
236 2HB HIS 34 2HB HIS 34 2.622 8.537 2.945
237 HD1 HIS 34 HD1 HIS 34 4.551 9.916 1.325
238 HD2 HIS 34 HD2 HIS 34 0.659 9.240 -0.174
239 HE1 HIS 34 HE1 HIS 34 4.194 11.533 -0.622
240 HE2 HIS 34 HE2 HIS 34 1.825 11.153 -1.522
241 H VAL 35 H VAL 35 5.189 6.998 -0.150
242 HA VAL 35 HA VAL 35 7.362 7.998 1.645
243 HB VAL 35 HB VAL 35 8.955 6.973 0.106
244 1HG1 VAL 35 1HG1 VAL 35 7.120 4.843 1.248
245 2HG1 VAL 35 2HG1 VAL 35 8.864 4.761 0.955
246 3HG1 VAL 35 3HG1 VAL 35 8.255 5.817 2.235
247 1HG2 VAL 35 1HG2 VAL 35 8.314 5.137 -1.377
248 2HG2 VAL 35 2HG2 VAL 35 6.594 5.391 -0.998
249 3HG2 VAL 35 3HG2 VAL 35 7.524 6.646 -1.854
250 H THR 36 H THR 36 8.654 9.518 0.767
251 HA THR 36 HA THR 36 7.592 11.135 -1.505
252 HB THR 36 HB THR 36 8.878 12.975 -0.607
253 HG1 THR 36 HG1 THR 36 9.906 12.729 1.410
254 1HG2 THR 36 1HG2 THR 36 7.524 13.368 1.407
255 2HG2 THR 36 2HG2 THR 36 6.538 12.526 0.198
256 3HG2 THR 36 3HG2 THR 36 7.193 11.640 1.583
257 H THR 37 H THR 37 9.689 8.702 -0.785
258 HA THR 37 HA THR 37 11.124 7.584 -1.805
259 HB THR 37 HB THR 37 9.698 6.705 -3.152
260 HG1 THR 37 HG1 THR 37 10.549 8.559 -5.132
261 1HG2 THR 37 1HG2 THR 37 7.966 7.765 -4.421
262 2HG2 THR 37 2HG2 THR 37 8.000 8.498 -2.801
263 3HG2 THR 37 3HG2 THR 37 8.692 9.374 -4.190
264 H THR 38 H THR 38 12.558 6.990 -3.031
265 HA THR 38 HA THR 38 13.537 8.549 -5.333
266 HB THR 38 HB THR 38 15.077 6.453 -3.967
267 HG1 THR 38 HG1 THR 38 15.582 9.215 -4.296
268 1HG2 THR 38 1HG2 THR 38 16.889 7.025 -5.632
269 2HG2 THR 38 2HG2 THR 38 15.476 6.276 -6.372
270 3HG2 THR 38 3HG2 THR 38 15.709 8.036 -6.497
271 H THR 39 H THR 39 11.958 5.774 -3.869
272 HA THR 39 HA THR 39 10.744 4.431 -5.964
273 HB THR 39 HB THR 39 12.901 3.116 -4.533
274 HG1 THR 39 HG1 THR 39 14.294 3.169 -6.378
275 1HG2 THR 39 1HG2 THR 39 11.627 1.423 -5.423
276 2HG2 THR 39 2HG2 THR 39 11.231 2.391 -6.884
277 3HG2 THR 39 3HG2 THR 39 12.826 1.596 -6.699
278 H CYS 40 H CYS 40 10.125 2.380 -4.907
279 HA CYS 40 HA CYS 40 9.022 2.732 -2.262
280 1HB CYS 40 1HB CYS 40 8.994 0.392 -4.224
281 2HB CYS 40 2HB CYS 40 8.325 0.270 -2.598
282 HA PRO 41 HA PRO 41 12.602 1.105 -0.098
283 1HB PRO 41 1HB PRO 41 11.608 1.034 2.405
284 2HB PRO 41 2HB PRO 41 11.735 2.567 1.512
285 1HG PRO 41 1HG PRO 41 9.286 0.787 1.731
286 2HG PRO 41 2HG PRO 41 9.405 2.515 2.118
287 1HD PRO 41 1HD PRO 41 8.555 1.676 -0.362
288 2HD PRO 41 2HD PRO 41 9.609 3.107 -0.182
289 H SER 42 H SER 42 13.194 -0.574 1.380
290 HA SER 42 HA SER 42 12.478 -3.254 0.689
291 1HB SER 42 1HB SER 42 14.656 -2.372 1.568
292 2HB SER 42 2HB SER 42 13.864 -2.144 3.150
293 HG SER 42 HG SER 42 13.427 -4.422 3.106
294 H SER 43 H SER 43 11.317 -0.912 3.163
295 HA SER 43 HA SER 43 10.192 -2.744 5.034
296 1HB SER 43 2HB SER 43 9.697 0.086 4.386
297 2HB SER 43 1HB SER 43 9.069 -0.742 5.814
298 HG SER 43 HG SER 43 11.255 -1.136 6.414
299 H HIS 44 H HIS 44 9.316 -1.393 2.001
300 HA HIS 44 HA HIS 44 6.584 -2.672 1.891
301 1HB HIS 44 1HB HIS 44 7.046 0.288 1.743
302 2HB HIS 44 2HB HIS 44 5.601 -0.546 1.184
303 HD1 HIS 44 HD1 HIS 44 7.470 0.172 4.436
304 HD2 HIS 44 HD2 HIS 44 3.918 -1.573 3.046
305 HE1 HIS 44 HE1 HIS 44 6.021 -0.300 6.490
306 HE2 HIS 44 HE2 HIS 44 3.841 -1.374 5.658
307 HA PRO 45 HA PRO 45 9.314 -2.897 -1.866
308 1HB PRO 45 1HB PRO 45 8.814 -5.510 -2.599
309 2HB PRO 45 2HB PRO 45 9.973 -5.022 -1.338
310 1HG PRO 45 1HG PRO 45 7.089 -5.872 -0.957
311 2HG PRO 45 2HG PRO 45 8.537 -6.504 -0.114
312 1HD PRO 45 1HD PRO 45 7.038 -4.601 1.037
313 2HD PRO 45 2HD PRO 45 8.811 -4.458 1.114
314 H SER 46 H SER 46 5.777 -3.787 -1.685
315 HA SER 46 HA SER 46 5.616 -3.671 -4.650
316 1HB SER 46 1HB SER 46 4.553 -5.570 -3.528
317 2HB SER 46 2HB SER 46 3.612 -4.480 -2.520
318 HG SER 46 HG SER 46 2.701 -3.700 -4.525
319 HXT SER 46 HO OH 47 4.977 -0.183 -3.822