Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | in_recoord | stage | position | program | type |
|
|
7496 | 1kma RC | 5276 | cing | recoord | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 1H PHE 1 1H PHE 1 -15.202 6.532 5.177
2 2H PHE 1 2H PHE 1 -15.851 5.682 3.924
3 3H PHE 1 3H PHE 1 -15.750 4.983 5.407
4 HA PHE 1 HA PHE 1 -13.286 5.027 5.267
5 1HB PHE 1 2HB PHE 1 -13.790 3.605 2.815
6 2HB PHE 1 1HB PHE 1 -13.316 3.101 4.418
7 HD1 PHE 1 HD1 PHE 1 -15.088 2.613 6.203
8 HD2 PHE 1 HD2 PHE 1 -15.986 3.134 2.011
9 HE1 PHE 1 HE1 PHE 1 -17.369 1.709 6.577
10 HE2 PHE 1 HE2 PHE 1 -18.256 2.201 2.387
11 HZ PHE 1 HZ PHE 1 -18.956 1.510 4.673
12 H GLN 2 H GLN 2 -12.784 7.220 5.108
13 HA GLN 2 HA GLN 2 -11.149 7.744 2.943
14 1HB GLN 2 1HB GLN 2 -12.304 9.836 2.175
15 2HB GLN 2 2HB GLN 2 -12.981 8.331 1.576
16 1HG GLN 2 1HG GLN 2 -14.939 8.501 2.878
17 2HG GLN 2 2HG GLN 2 -14.229 9.647 4.012
18 1HE2 GLN 2 1HE2 GLN 2 -14.283 11.896 3.552
19 2HE2 GLN 2 2HE2 GLN 2 -15.119 12.490 2.123
20 H GLY 3 H GLY 3 -9.660 9.037 3.872
21 1HA GLY 3 1HA GLY 3 -8.660 10.726 5.103
22 2HA GLY 3 2HA GLY 3 -10.264 11.281 5.578
23 H ASN 4 H ASN 4 -11.047 8.792 6.885
24 HA ASN 4 HA ASN 4 -9.643 8.887 9.440
25 1HB ASN 4 1HB ASN 4 -11.907 7.289 8.286
26 2HB ASN 4 2HB ASN 4 -10.941 6.484 9.518
27 1HD2 ASN 4 1HD2 ASN 4 -12.942 9.425 8.913
28 2HD2 ASN 4 2HD2 ASN 4 -13.218 9.684 10.631
29 HA PRO 5 HA PRO 5 -7.428 4.860 8.081
30 1HB PRO 5 1HB PRO 5 -7.581 4.068 5.465
31 2HB PRO 5 2HB PRO 5 -8.628 3.469 6.764
32 1HG PRO 5 1HG PRO 5 -9.161 5.519 4.625
33 2HG PRO 5 2HG PRO 5 -10.285 4.302 5.321
34 1HD PRO 5 1HD PRO 5 -10.296 6.929 6.022
35 2HD PRO 5 2HD PRO 5 -10.770 5.621 7.140
36 H CYS 6 H CYS 6 -7.530 7.175 5.304
37 HA CYS 6 HA CYS 6 -4.562 7.050 5.161
38 1HB CYS 6 1HB CYS 6 -6.703 7.970 3.242
39 2HB CYS 6 2HB CYS 6 -5.078 8.631 3.140
40 H GLU 7 H GLU 7 -3.432 8.557 5.948
41 HA GLU 7 HA GLU 7 -4.098 11.374 5.939
42 1HB GLU 7 1HB GLU 7 -4.445 9.854 8.451
43 2HB GLU 7 2HB GLU 7 -3.172 11.054 8.609
44 1HG GLU 7 1HG GLU 7 -4.885 12.703 7.495
45 2HG GLU 7 2HG GLU 7 -6.090 11.507 7.972
46 H CYS 8 H CYS 8 -1.915 8.722 6.655
47 HA CYS 8 HA CYS 8 0.418 9.812 7.302
48 1HB CYS 8 1HB CYS 8 -0.496 7.452 5.772
49 2HB CYS 8 2HB CYS 8 1.155 7.889 5.413
50 HA PRO 9 HA PRO 9 2.049 12.344 4.286
51 1HB PRO 9 1HB PRO 9 4.772 12.069 4.486
52 2HB PRO 9 2HB PRO 9 3.758 12.699 5.804
53 1HG PRO 9 1HG PRO 9 4.898 9.931 5.529
54 2HG PRO 9 2HG PRO 9 4.749 10.951 6.994
55 1HD PRO 9 1HD PRO 9 2.986 8.913 6.176
56 2HD PRO 9 2HD PRO 9 2.593 10.173 7.356
57 H ARG 10 H ARG 10 3.468 12.541 2.356
58 HA ARG 10 HA ARG 10 3.125 10.253 0.538
59 1HB ARG 10 1HB ARG 10 4.141 13.103 0.174
60 2HB ARG 10 2HB ARG 10 4.024 11.935 -1.145
61 1HG ARG 10 1HG ARG 10 1.714 11.954 -1.215
62 2HG ARG 10 2HG ARG 10 1.540 12.281 0.500
63 1HD ARG 10 1HD ARG 10 0.812 14.252 -0.375
64 2HD ARG 10 2HD ARG 10 2.497 14.633 0.004
65 HE ARG 10 HE ARG 10 2.238 13.663 -2.684
66 1HH1 ARG 10 2HH2 ARG 10 1.651 16.527 -0.713
67 2HH1 ARG 10 1HH2 ARG 10 1.569 17.640 -2.034
68 1HH2 ARG 10 2HH1 ARG 10 2.097 15.112 -4.490
69 2HH2 ARG 10 1HH1 ARG 10 1.836 16.798 -4.240
70 H ALA 11 H ALA 11 4.821 9.545 2.596
71 HA ALA 11 HA ALA 11 7.524 9.727 1.896
72 1HB ALA 11 1HB ALA 11 6.025 7.758 3.669
73 2HB ALA 11 2HB ALA 11 7.795 7.921 3.582
74 3HB ALA 11 3HB ALA 11 6.810 9.268 4.186
75 H LEU 12 H LEU 12 8.493 8.710 0.219
76 HA LEU 12 HA LEU 12 7.210 6.751 -1.463
77 1HB LEU 12 1HB LEU 12 9.811 8.297 -1.298
78 2HB LEU 12 2HB LEU 12 9.761 6.929 -2.365
79 HG LEU 12 HG LEU 12 9.288 9.181 -3.341
80 1HD1 LEU 12 1HD1 LEU 12 7.692 8.277 -4.983
81 2HD1 LEU 12 2HD1 LEU 12 8.862 7.031 -4.526
82 3HD1 LEU 12 3HD1 LEU 12 7.216 6.994 -3.853
83 1HD2 LEU 12 1HD2 LEU 12 7.045 10.075 -3.357
84 2HD2 LEU 12 2HD2 LEU 12 6.477 8.812 -2.250
85 3HD2 LEU 12 3HD2 LEU 12 7.662 10.026 -1.705
86 H HIS 13 H HIS 13 7.195 5.615 1.006
87 HA HIS 13 HA HIS 13 9.567 3.858 1.316
88 1HB HIS 13 1HB HIS 13 8.473 5.012 3.276
89 2HB HIS 13 2HB HIS 13 7.029 4.043 3.002
90 HD1 HIS 13 HD1 HIS 13 7.115 2.379 5.050
91 HD2 HIS 13 HD2 HIS 13 10.778 2.840 3.023
92 HE1 HIS 13 HE1 HIS 13 8.755 0.716 6.091
93 H ARG 14 H ARG 14 8.842 3.145 -0.994
94 HA ARG 14 HA ARG 14 6.437 1.873 -1.506
95 1HB ARG 14 1HB ARG 14 9.159 1.257 -2.730
96 2HB ARG 14 2HB ARG 14 7.619 0.668 -3.361
97 1HG ARG 14 1HG ARG 14 6.862 3.096 -3.568
98 2HG ARG 14 2HG ARG 14 8.508 3.574 -3.128
99 1HD ARG 14 1HD ARG 14 8.300 3.647 -5.527
100 2HD ARG 14 2HD ARG 14 9.387 2.320 -5.087
101 HE ARG 14 HE ARG 14 6.848 1.199 -5.257
102 1HH1 ARG 14 2HH2 ARG 14 9.081 2.833 -7.465
103 2HH1 ARG 14 1HH2 ARG 14 8.655 1.966 -8.879
104 1HH2 ARG 14 2HH1 ARG 14 6.099 0.085 -7.153
105 2HH2 ARG 14 1HH1 ARG 14 6.856 0.254 -8.675
106 H VAL 15 H VAL 15 5.498 -0.107 -1.251
107 HA VAL 15 HA VAL 15 7.058 -2.348 -0.099
108 HB VAL 15 HB VAL 15 5.423 -2.813 1.557
109 1HG1 VAL 15 1HG1 VAL 15 6.077 0.056 1.831
110 2HG1 VAL 15 2HG1 VAL 15 6.043 -1.177 3.108
111 3HG1 VAL 15 3HG1 VAL 15 7.345 -1.163 1.888
112 1HG2 VAL 15 1HG2 VAL 15 3.929 -0.318 0.610
113 2HG2 VAL 15 2HG2 VAL 15 3.338 -2.004 0.611
114 3HG2 VAL 15 3HG2 VAL 15 3.614 -1.187 2.129
115 H CYS 16 H CYS 16 5.314 -4.322 0.173
116 HA CYS 16 HA CYS 16 3.758 -4.455 -2.353
117 1HB CYS 16 1HB CYS 16 5.877 -5.606 -2.438
118 2HB CYS 16 2HB CYS 16 5.575 -6.439 -0.943
119 H GLY 17 H GLY 17 1.723 -5.217 -2.224
120 1HA GLY 17 1HA GLY 17 0.692 -6.233 0.385
121 2HA GLY 17 2HA GLY 17 -0.283 -5.689 -0.974
122 H SER 18 H SER 18 -0.647 -8.154 0.227
123 HA SER 18 HA SER 18 0.551 -10.320 -0.606
124 1HB SER 18 1HB SER 18 -1.313 -11.613 -0.039
125 2HB SER 18 2HB SER 18 -1.533 -10.119 0.863
126 HG SER 18 HG SER 18 -3.041 -9.465 -0.793
127 H ASP 19 H ASP 19 -1.551 -8.651 -2.851
128 HA ASP 19 HA ASP 19 -1.607 -10.660 -4.870
129 1HB ASP 19 1HB ASP 19 -2.004 -7.664 -4.762
130 2HB ASP 19 2HB ASP 19 -2.200 -8.565 -6.270
131 H GLY 20 H GLY 20 1.196 -9.165 -3.691
132 1HA GLY 20 1HA GLY 20 3.290 -8.909 -4.630
133 2HA GLY 20 2HA GLY 20 2.681 -9.331 -6.224
134 H ASN 21 H ASN 21 0.498 -7.170 -4.970
135 HA ASN 21 HA ASN 21 1.182 -5.241 -6.862
136 1HB ASN 21 1HB ASN 21 -1.137 -6.050 -5.886
137 2HB ASN 21 2HB ASN 21 -0.924 -4.694 -4.768
138 1HD2 ASN 21 1HD2 ASN 21 -2.659 -5.385 -7.356
139 2HD2 ASN 21 2HD2 ASN 21 -2.454 -3.920 -8.305
140 H THR 22 H THR 22 2.873 -3.767 -6.522
141 HA THR 22 HA THR 22 3.740 -3.107 -3.976
142 HB THR 22 HB THR 22 4.247 -1.466 -6.469
143 HG1 THR 22 HG1 THR 22 5.656 -2.969 -7.071
144 1HG2 THR 22 1HG2 THR 22 6.096 -2.072 -4.114
145 2HG2 THR 22 2HG2 THR 22 6.407 -0.936 -5.408
146 3HG2 THR 22 3HG2 THR 22 5.159 -0.584 -4.202
147 H TYR 23 H TYR 23 3.507 -1.243 -2.704
148 HA TYR 23 HA TYR 23 1.335 0.704 -3.333
149 1HB TYR 23 1HB TYR 23 1.996 -0.887 -0.860
150 2HB TYR 23 2HB TYR 23 1.514 0.776 -0.633
151 HD1 TYR 23 HD1 TYR 23 0.384 -2.463 -2.162
152 HD2 TYR 23 HD2 TYR 23 -0.719 1.443 -0.711
153 HE1 TYR 23 HE1 TYR 23 -2.014 -3.088 -2.312
154 HE2 TYR 23 HE2 TYR 23 -3.106 0.844 -0.856
155 HH TYR 23 HH TYR 23 -4.610 -0.716 -1.607
156 H SER 24 H SER 24 1.922 2.836 -3.012
157 HA SER 24 HA SER 24 4.548 3.713 -3.032
158 1HB SER 24 1HB SER 24 2.537 5.094 -3.632
159 2HB SER 24 2HB SER 24 2.198 5.268 -1.898
160 HG SER 24 HG SER 24 4.439 6.101 -1.778
161 H ASN 25 H ASN 25 2.608 2.863 -0.164
162 HA ASN 25 HA ASN 25 4.858 2.696 1.435
163 1HB ASN 25 1HB ASN 25 4.274 4.368 3.226
164 2HB ASN 25 2HB ASN 25 4.938 5.004 1.767
165 1HD2 ASN 25 1HD2 ASN 25 4.075 6.956 1.305
166 2HD2 ASN 25 2HD2 ASN 25 2.492 7.470 1.831
167 HA PRO 26 HA PRO 26 2.163 -0.168 3.307
168 1HB PRO 26 1HB PRO 26 3.056 -0.491 5.851
169 2HB PRO 26 2HB PRO 26 3.971 -1.017 4.413
170 1HG PRO 26 1HG PRO 26 4.349 1.504 6.037
171 2HG PRO 26 2HG PRO 26 5.600 0.383 5.405
172 1HD PRO 26 1HD PRO 26 4.898 2.724 4.195
173 2HD PRO 26 2HD PRO 26 5.495 1.341 3.283
174 H CYS 27 H CYS 27 2.341 3.078 4.560
175 HA CYS 27 HA CYS 27 0.171 2.864 6.431
176 1HB CYS 27 1HB CYS 27 2.045 4.774 6.081
177 2HB CYS 27 2HB CYS 27 0.768 5.460 5.079
178 H MET 28 H MET 28 0.403 3.877 2.948
179 HA MET 28 HA MET 28 -2.424 4.216 2.676
180 1HB MET 28 1HB MET 28 -0.229 3.687 0.670
181 2HB MET 28 2HB MET 28 -1.937 3.642 0.216
182 1HG MET 28 1HG MET 28 -1.905 5.982 1.617
183 2HG MET 28 2HG MET 28 -0.269 5.983 0.971
184 1HE MET 28 1HE MET 28 -1.140 5.654 -2.931
185 2HE MET 28 2HE MET 28 0.093 5.378 -1.674
186 3HE MET 28 3HE MET 28 -1.239 4.215 -1.897
187 H LEU 29 H LEU 29 -0.437 1.258 2.540
188 HA LEU 29 HA LEU 29 -2.461 -0.496 1.546
189 1HB LEU 29 1HB LEU 29 -0.279 -1.167 1.589
190 2HB LEU 29 2HB LEU 29 -0.100 -0.985 3.358
191 HG LEU 29 HG LEU 29 -1.745 -2.963 2.086
192 1HD1 LEU 29 1HD1 LEU 29 1.203 -3.178 2.613
193 2HD1 LEU 29 2HD1 LEU 29 0.168 -4.587 2.305
194 3HD1 LEU 29 3HD1 LEU 29 0.339 -3.339 1.068
195 1HD2 LEU 29 1HD2 LEU 29 -1.115 -4.300 4.224
196 2HD2 LEU 29 2HD2 LEU 29 -0.561 -2.758 4.868
197 3HD2 LEU 29 3HD2 LEU 29 -2.276 -2.995 4.409
198 H THR 30 H THR 30 -1.456 -0.248 4.961
199 HA THR 30 HA THR 30 -3.771 -1.449 5.997
200 HB THR 30 HB THR 30 -1.756 -0.721 7.296
201 HG1 THR 30 HG1 THR 30 -3.008 -0.447 9.233
202 1HG2 THR 30 1HG2 THR 30 -1.727 1.370 8.400
203 2HG2 THR 30 2HG2 THR 30 -1.856 1.601 6.648
204 3HG2 THR 30 3HG2 THR 30 -3.293 1.839 7.683
205 H CYS 31 H CYS 31 -3.440 2.124 5.289
206 HA CYS 31 HA CYS 31 -5.850 2.879 6.043
207 1HB CYS 31 1HB CYS 31 -4.551 4.650 5.165
208 2HB CYS 31 2HB CYS 31 -4.049 3.700 3.793
209 H ALA 32 H ALA 32 -5.089 1.935 2.659
210 HA ALA 32 HA ALA 32 -7.535 1.648 1.482
211 1HB ALA 32 1HB ALA 32 -5.154 -0.232 1.213
212 2HB ALA 32 2HB ALA 32 -6.509 -0.086 0.087
213 3HB ALA 32 3HB ALA 32 -5.398 1.292 0.339
214 H LYS 33 H LYS 33 -5.848 -0.700 3.462
215 HA LYS 33 HA LYS 33 -7.661 -2.890 3.206
216 1HB LYS 33 1HB LYS 33 -5.317 -2.909 4.210
217 2HB LYS 33 2HB LYS 33 -6.052 -2.338 5.712
218 1HG LYS 33 1HG LYS 33 -7.563 -4.261 5.757
219 2HG LYS 33 2HG LYS 33 -6.910 -4.829 4.206
220 1HD LYS 33 1HD LYS 33 -4.831 -5.354 5.036
221 2HD LYS 33 2HD LYS 33 -5.025 -4.443 6.464
222 1HE LYS 33 1HE LYS 33 -6.869 -6.737 5.745
223 2HE LYS 33 2HE LYS 33 -5.340 -7.035 6.563
224 1HZ LYS 33 1HZ LYS 33 -7.588 -5.427 7.613
225 2HZ LYS 33 2HZ LYS 33 -7.135 -6.918 8.138
226 3HZ LYS 33 3HZ LYS 33 -6.144 -5.623 8.391
227 H HIS 34 H HIS 34 -7.457 -0.584 5.910
228 HA HIS 34 HA HIS 34 -10.006 -1.333 7.052
229 1HB HIS 34 1HB HIS 34 -7.761 0.464 7.673
230 2HB HIS 34 2HB HIS 34 -9.291 1.274 7.917
231 HD1 HIS 34 HD1 HIS 34 -10.176 0.948 10.304
232 HD2 HIS 34 HD2 HIS 34 -7.935 -2.297 8.839
233 HE1 HIS 34 HE1 HIS 34 -10.099 -0.796 12.176
234 H GLU 35 H GLU 35 -9.125 0.756 4.369
235 HA GLU 35 HA GLU 35 -11.476 2.375 4.607
236 1HB GLU 35 1HB GLU 35 -9.278 3.003 3.509
237 2HB GLU 35 2HB GLU 35 -9.765 2.037 2.129
238 1HG GLU 35 1HG GLU 35 -11.586 4.170 3.090
239 2HG GLU 35 2HG GLU 35 -10.095 4.655 2.331
240 H GLY 36 H GLY 36 -10.505 -0.054 2.158
241 1HA GLY 36 1HA GLY 36 -13.212 -1.231 2.065
242 2HA GLY 36 2HA GLY 36 -12.712 -0.282 0.657
243 H ASN 37 H ASN 37 -10.256 -2.176 2.484
244 HA ASN 37 HA ASN 37 -10.324 -4.191 0.262
245 1HB ASN 37 1HB ASN 37 -8.461 -2.206 0.153
246 2HB ASN 37 2HB ASN 37 -7.645 -3.223 1.247
247 1HD2 ASN 37 1HD2 ASN 37 -6.349 -2.851 -1.058
248 2HD2 ASN 37 2HD2 ASN 37 -6.499 -4.293 -2.043
249 HA PRO 38 HA PRO 38 -10.089 -5.825 4.656
250 1HB PRO 38 1HB PRO 38 -12.104 -7.715 4.540
251 2HB PRO 38 2HB PRO 38 -12.362 -5.996 4.977
252 1HG PRO 38 1HG PRO 38 -12.724 -7.301 2.261
253 2HG PRO 38 2HG PRO 38 -13.854 -6.209 3.126
254 1HD PRO 38 1HD PRO 38 -12.187 -5.265 1.204
255 2HD PRO 38 2HD PRO 38 -12.499 -4.312 2.689
256 H ASP 39 H ASP 39 -9.978 -7.212 1.491
257 HA ASP 39 HA ASP 39 -8.882 -9.812 2.121
258 1HB ASP 39 1HB ASP 39 -9.980 -8.402 -0.094
259 2HB ASP 39 2HB ASP 39 -8.319 -8.706 -0.538
260 H LEU 40 H LEU 40 -7.520 -6.579 1.934
261 HA LEU 40 HA LEU 40 -4.875 -7.402 0.909
262 1HB LEU 40 1HB LEU 40 -5.452 -5.196 0.281
263 2HB LEU 40 2HB LEU 40 -6.274 -4.885 1.817
264 HG LEU 40 HG LEU 40 -4.291 -4.620 2.987
265 1HD1 LEU 40 1HD1 LEU 40 -2.230 -5.037 2.312
266 2HD1 LEU 40 2HD1 LEU 40 -2.955 -5.970 1.003
267 3HD1 LEU 40 3HD1 LEU 40 -2.480 -4.312 0.672
268 1HD2 LEU 40 1HD2 LEU 40 -4.225 -2.885 0.473
269 2HD2 LEU 40 2HD2 LEU 40 -5.396 -2.691 1.778
270 3HD2 LEU 40 3HD2 LEU 40 -3.697 -2.450 2.098
271 H VAL 41 H VAL 41 -3.036 -7.385 2.329
272 HA VAL 41 HA VAL 41 -3.485 -7.272 5.182
273 HB VAL 41 HB VAL 41 -2.558 -9.483 5.542
274 1HG1 VAL 41 1HG1 VAL 41 -4.945 -9.842 3.690
275 2HG1 VAL 41 2HG1 VAL 41 -4.422 -10.904 4.983
276 3HG1 VAL 41 3HG1 VAL 41 -5.064 -9.305 5.394
277 1HG2 VAL 41 1HG2 VAL 41 -2.822 -10.016 2.559
278 2HG2 VAL 41 2HG2 VAL 41 -1.281 -9.793 3.450
279 3HG2 VAL 41 3HG2 VAL 41 -2.317 -11.165 3.807
280 H GLN 42 H GLN 42 -1.421 -6.871 6.215
281 HA GLN 42 HA GLN 42 0.764 -5.966 4.495
282 1HB GLN 42 1HB GLN 42 0.282 -4.813 6.637
283 2HB GLN 42 2HB GLN 42 0.576 -6.310 7.517
284 1HG GLN 42 1HG GLN 42 2.545 -4.939 7.705
285 2HG GLN 42 2HG GLN 42 2.956 -6.312 6.696
286 1HE2 GLN 42 1HE2 GLN 42 4.844 -4.912 6.007
287 2HE2 GLN 42 2HE2 GLN 42 4.505 -3.763 4.730
288 H VAL 43 H VAL 43 1.029 -7.940 3.297
289 HA VAL 43 HA VAL 43 1.747 -10.396 4.387
290 HB VAL 43 HB VAL 43 3.181 -10.546 2.169
291 1HG1 VAL 43 1HG1 VAL 43 1.281 -11.310 1.011
292 2HG1 VAL 43 2HG1 VAL 43 0.918 -11.606 2.704
293 3HG1 VAL 43 3HG1 VAL 43 0.208 -10.187 1.900
294 1HG2 VAL 43 1HG2 VAL 43 2.436 -9.071 0.376
295 2HG2 VAL 43 2HG2 VAL 43 1.356 -8.188 1.467
296 3HG2 VAL 43 3HG2 VAL 43 3.124 -8.071 1.656
297 H HIS 44 H HIS 44 3.756 -7.593 3.536
298 HA HIS 44 HA HIS 44 5.594 -7.508 5.567
299 1HB HIS 44 1HB HIS 44 6.589 -9.530 5.249
300 2HB HIS 44 2HB HIS 44 6.173 -9.624 3.542
301 HD1 HIS 44 HD1 HIS 44 7.884 -8.607 1.795
302 HD2 HIS 44 HD2 HIS 44 9.018 -8.318 5.833
303 HE1 HIS 44 HE1 HIS 44 10.374 -8.143 1.810
304 H GLU 45 H GLU 45 7.155 -5.878 5.101
305 HA GLU 45 HA GLU 45 6.332 -3.876 3.222
306 1HB GLU 45 1HB GLU 45 8.181 -2.617 4.163
307 2HB GLU 45 2HB GLU 45 7.236 -3.337 5.439
308 1HG GLU 45 1HG GLU 45 9.799 -4.647 4.405
309 2HG GLU 45 2HG GLU 45 9.834 -3.351 5.584
310 H GLY 46 H GLY 46 8.599 -2.768 2.181
311 1HA GLY 46 1HA GLY 46 10.195 -2.905 0.547
312 2HA GLY 46 2HA GLY 46 10.282 -4.661 0.791
313 HA PRO 47 HA PRO 47 7.323 -3.478 -2.758
314 1HB PRO 47 1HB PRO 47 8.683 -2.609 -4.908
315 2HB PRO 47 2HB PRO 47 8.332 -1.541 -3.509
316 1HG PRO 47 1HG PRO 47 10.922 -3.029 -4.059
317 2HG PRO 47 2HG PRO 47 10.705 -1.292 -3.662
318 1HD PRO 47 1HD PRO 47 11.267 -3.203 -1.754
319 2HD PRO 47 2HD PRO 47 10.279 -1.756 -1.409
320 H CYS 48 H CYS 48 6.632 -5.082 -4.194
321 HA CYS 48 HA CYS 48 8.374 -7.455 -4.462
322 1HB CYS 48 1HB CYS 48 5.495 -6.878 -5.199
323 2HB CYS 48 2HB CYS 48 6.299 -8.326 -5.753
324 H ASP 49 H ASP 49 6.802 -5.044 -6.677
325 HA ASP 49 HA ASP 49 7.970 -6.056 -9.000
326 1HB ASP 49 1HB ASP 49 5.974 -4.460 -8.695
327 2HB ASP 49 2HB ASP 49 7.167 -3.168 -8.559
328 H GLU 50 H GLU 50 9.607 -4.741 -10.265
329 HA GLU 50 HA GLU 50 12.137 -4.813 -8.893
330 1HB GLU 50 1HB GLU 50 11.263 -3.769 -11.614
331 2HB GLU 50 2HB GLU 50 12.939 -3.691 -11.082
332 1HG GLU 50 1HG GLU 50 11.497 -6.356 -10.987
333 2HG GLU 50 2HG GLU 50 12.064 -5.727 -12.529
334 H HIS 51 H HIS 51 10.539 -1.980 -10.448
335 HA HIS 51 HA HIS 51 10.871 -0.279 -8.178
336 1HB HIS 51 1HB HIS 51 12.565 1.317 -9.295
337 2HB HIS 51 2HB HIS 51 13.122 -0.103 -8.462
338 HD1 HIS 51 HD1 HIS 51 15.276 -0.644 -9.691
339 HD2 HIS 51 HD2 HIS 51 11.989 0.018 -12.245
340 HE1 HIS 51 HE1 HIS 51 16.062 -1.202 -12.060
341 H ASP 52 H ASP 52 8.617 -0.876 -10.031
342 HA ASP 52 HA ASP 52 7.721 1.625 -10.875
343 1HB ASP 52 1HB ASP 52 9.219 -0.158 -12.800
344 2HB ASP 52 2HB ASP 52 7.755 0.585 -13.392
345 H HIS 53 H HIS 53 5.843 0.489 -12.885
346 HA HIS 53 HA HIS 53 4.497 -1.659 -11.432
347 1HB HIS 53 1HB HIS 53 4.007 0.421 -10.080
348 2HB HIS 53 2HB HIS 53 3.240 1.122 -11.502
349 HD1 HIS 53 HD1 HIS 53 2.865 -2.238 -9.555
350 HD2 HIS 53 HD2 HIS 53 0.664 0.735 -11.553
351 HE1 HIS 53 HE1 HIS 53 0.392 -2.861 -9.306
352 H ASP 54 H ASP 54 5.483 -1.763 -13.984
353 HA ASP 54 HA ASP 54 3.272 -1.894 -15.804
354 1HB ASP 54 1HB ASP 54 4.224 -0.115 -17.327
355 2HB ASP 54 2HB ASP 54 3.381 0.468 -15.911
356 H PHE 55 H PHE 55 4.095 -2.558 -17.963
357 HA PHE 55 HA PHE 55 6.300 -4.486 -17.674
358 1HB PHE 55 2HB PHE 55 4.050 -4.017 -19.666
359 2HB PHE 55 1HB PHE 55 5.449 -4.949 -20.136
360 HD1 PHE 55 HD1 PHE 55 6.191 -6.820 -18.311
361 HD2 PHE 55 HD2 PHE 55 2.201 -5.344 -18.998
362 HE1 PHE 55 HE1 PHE 55 5.254 -8.970 -17.489
363 HE2 PHE 55 HE2 PHE 55 1.265 -7.496 -18.185
364 HZ PHE 55 HZ PHE 55 2.790 -9.314 -17.438
Start of MODEL 2
1 1H PHE 1 1H PHE 1 -14.554 6.495 5.871
2 2H PHE 1 2H PHE 1 -15.482 5.783 4.710
3 3H PHE 1 3H PHE 1 -15.004 4.908 6.025
4 HA PHE 1 HA PHE 1 -12.712 5.016 5.304
5 1HB PHE 1 2HB PHE 1 -13.162 3.909 2.974
6 2HB PHE 1 1HB PHE 1 -13.492 3.101 4.497
7 HD1 PHE 1 HD1 PHE 1 -14.995 4.627 1.477
8 HD2 PHE 1 HD2 PHE 1 -15.777 2.557 5.188
9 HE1 PHE 1 HE1 PHE 1 -17.334 4.215 0.767
10 HE2 PHE 1 HE2 PHE 1 -18.111 2.159 4.469
11 HZ PHE 1 HZ PHE 1 -18.894 2.978 2.258
12 H GLN 2 H GLN 2 -11.537 6.795 4.889
13 HA GLN 2 HA GLN 2 -10.892 7.090 2.367
14 1HB GLN 2 1HB GLN 2 -13.063 8.858 2.575
15 2HB GLN 2 2HB GLN 2 -11.702 9.922 2.744
16 1HG GLN 2 1HG GLN 2 -12.124 7.954 0.464
17 2HG GLN 2 2HG GLN 2 -12.280 9.716 0.409
18 1HE2 GLN 2 1HE2 GLN 2 -10.118 7.012 0.185
19 2HE2 GLN 2 2HE2 GLN 2 -8.603 7.932 0.124
20 H GLY 3 H GLY 3 -10.820 10.047 4.319
21 1HA GLY 3 1HA GLY 3 -7.933 9.937 4.579
22 2HA GLY 3 2HA GLY 3 -8.998 11.195 5.206
23 H ASN 4 H ASN 4 -10.553 8.833 6.577
24 HA ASN 4 HA ASN 4 -9.135 8.914 9.043
25 1HB ASN 4 1HB ASN 4 -11.714 8.336 8.506
26 2HB ASN 4 2HB ASN 4 -11.120 6.691 8.766
27 1HD2 ASN 4 1HD2 ASN 4 -9.010 7.433 10.729
28 2HD2 ASN 4 2HD2 ASN 4 -9.916 7.878 12.175
29 HA PRO 5 HA PRO 5 -7.062 4.798 7.848
30 1HB PRO 5 1HB PRO 5 -7.292 4.244 5.088
31 2HB PRO 5 2HB PRO 5 -8.016 3.323 6.434
32 1HG PRO 5 1HG PRO 5 -9.163 5.252 4.527
33 2HG PRO 5 2HG PRO 5 -9.958 3.902 5.375
34 1HD PRO 5 1HD PRO 5 -10.272 6.567 6.108
35 2HD PRO 5 2HD PRO 5 -10.406 5.200 7.250
36 H CYS 6 H CYS 6 -7.320 7.180 5.043
37 HA CYS 6 HA CYS 6 -4.383 7.165 4.930
38 1HB CYS 6 1HB CYS 6 -6.574 8.097 3.130
39 2HB CYS 6 2HB CYS 6 -5.006 8.863 2.988
40 H GLU 7 H GLU 7 -4.392 8.141 7.229
41 HA GLU 7 HA GLU 7 -4.405 11.091 7.178
42 1HB GLU 7 1HB GLU 7 -3.592 10.956 9.436
43 2HB GLU 7 2HB GLU 7 -4.928 9.823 9.236
44 1HG GLU 7 1HG GLU 7 -3.339 7.930 9.103
45 2HG GLU 7 2HG GLU 7 -1.970 9.041 9.170
46 H CYS 8 H CYS 8 -2.293 8.689 6.142
47 HA CYS 8 HA CYS 8 0.113 9.645 7.239
48 1HB CYS 8 1HB CYS 8 -0.827 7.411 5.535
49 2HB CYS 8 2HB CYS 8 0.876 7.778 5.351
50 HA PRO 9 HA PRO 9 2.065 12.217 4.361
51 1HB PRO 9 1HB PRO 9 4.716 11.735 4.646
52 2HB PRO 9 2HB PRO 9 3.723 12.297 6.026
53 1HG PRO 9 1HG PRO 9 4.535 9.448 5.359
54 2HG PRO 9 2HG PRO 9 4.673 10.293 6.932
55 1HD PRO 9 1HD PRO 9 2.589 8.654 6.241
56 2HD PRO 9 2HD PRO 9 2.392 10.003 7.369
57 H ARG 10 H ARG 10 3.453 12.345 2.403
58 HA ARG 10 HA ARG 10 3.067 10.016 0.619
59 1HB ARG 10 1HB ARG 10 3.882 12.931 0.220
60 2HB ARG 10 2HB ARG 10 3.987 11.737 -1.061
61 1HG ARG 10 1HG ARG 10 2.011 12.965 -1.360
62 2HG ARG 10 2HG ARG 10 1.603 11.303 -1.000
63 1HD ARG 10 1HD ARG 10 1.540 13.445 1.165
64 2HD ARG 10 2HD ARG 10 0.231 13.335 0.000
65 HE ARG 10 HE ARG 10 0.512 11.753 2.318
66 1HH1 ARG 10 2HH2 ARG 10 -0.520 11.330 -1.040
67 2HH1 ARG 10 1HH2 ARG 10 -1.580 10.006 -0.676
68 1HH2 ARG 10 2HH1 ARG 10 -0.876 10.142 2.811
69 2HH2 ARG 10 1HH1 ARG 10 -1.778 9.281 1.583
70 H ALA 11 H ALA 11 4.808 9.442 2.686
71 HA ALA 11 HA ALA 11 7.502 9.712 1.994
72 1HB ALA 11 1HB ALA 11 7.807 7.974 3.755
73 2HB ALA 11 2HB ALA 11 6.800 9.323 4.306
74 3HB ALA 11 3HB ALA 11 6.042 7.778 3.843
75 H LEU 12 H LEU 12 8.542 8.670 0.383
76 HA LEU 12 HA LEU 12 7.375 6.587 -1.210
77 1HB LEU 12 1HB LEU 12 9.960 8.180 -1.054
78 2HB LEU 12 2HB LEU 12 9.874 6.818 -2.130
79 HG LEU 12 HG LEU 12 9.475 9.004 -3.158
80 1HD1 LEU 12 1HD1 LEU 12 7.732 8.200 -4.692
81 2HD1 LEU 12 2HD1 LEU 12 8.795 6.866 -4.238
82 3HD1 LEU 12 3HD1 LEU 12 7.185 7.010 -3.496
83 1HD2 LEU 12 1HD2 LEU 12 6.724 8.962 -1.892
84 2HD2 LEU 12 2HD2 LEU 12 8.044 10.095 -1.508
85 3HD2 LEU 12 3HD2 LEU 12 7.319 10.092 -3.119
86 H HIS 13 H HIS 13 7.406 5.540 1.327
87 HA HIS 13 HA HIS 13 9.790 3.743 1.569
88 1HB HIS 13 1HB HIS 13 7.484 4.229 3.487
89 2HB HIS 13 2HB HIS 13 8.877 3.184 3.772
90 HD1 HIS 13 HD1 HIS 13 8.333 5.536 5.760
91 HD2 HIS 13 HD2 HIS 13 10.856 5.708 2.390
92 HE1 HIS 13 HE1 HIS 13 9.998 7.438 6.172
93 H ARG 14 H ARG 14 8.605 3.158 -0.628
94 HA ARG 14 HA ARG 14 6.291 1.803 -0.895
95 1HB ARG 14 1HB ARG 14 8.896 1.135 -2.303
96 2HB ARG 14 2HB ARG 14 7.315 0.639 -2.870
97 1HG ARG 14 1HG ARG 14 6.819 2.628 -3.793
98 2HG ARG 14 2HG ARG 14 7.448 3.572 -2.451
99 1HD ARG 14 1HD ARG 14 9.224 2.191 -4.513
100 2HD ARG 14 2HD ARG 14 8.717 3.897 -4.591
101 HE ARG 14 HE ARG 14 9.757 3.301 -2.015
102 1HH1 ARG 14 2HH2 ARG 14 11.082 3.525 -5.285
103 2HH1 ARG 14 1HH2 ARG 14 12.509 4.390 -4.831
104 1HH2 ARG 14 2HH1 ARG 14 11.386 4.738 -1.456
105 2HH2 ARG 14 1HH1 ARG 14 12.781 4.994 -2.488
106 H VAL 15 H VAL 15 5.501 -0.296 -0.969
107 HA VAL 15 HA VAL 15 7.092 -2.458 0.297
108 HB VAL 15 HB VAL 15 5.198 -2.832 1.883
109 1HG1 VAL 15 1HG1 VAL 15 5.881 -1.205 3.459
110 2HG1 VAL 15 2HG1 VAL 15 7.300 -1.581 2.443
111 3HG1 VAL 15 3HG1 VAL 15 6.399 -0.097 2.176
112 1HG2 VAL 15 1HG2 VAL 15 4.258 -0.037 1.047
113 2HG2 VAL 15 2HG2 VAL 15 3.404 -1.557 0.696
114 3HG2 VAL 15 3HG2 VAL 15 3.642 -1.081 2.350
115 H CYS 16 H CYS 16 6.217 -4.549 0.001
116 HA CYS 16 HA CYS 16 4.361 -4.827 -2.262
117 1HB CYS 16 1HB CYS 16 6.404 -6.112 -2.034
118 2HB CYS 16 2HB CYS 16 5.944 -6.754 -0.521
119 H GLY 17 H GLY 17 2.168 -5.274 -2.089
120 1HA GLY 17 1HA GLY 17 1.088 -6.333 0.468
121 2HA GLY 17 2HA GLY 17 0.145 -5.707 -0.883
122 H SER 18 H SER 18 -0.207 -8.216 0.248
123 HA SER 18 HA SER 18 1.003 -10.375 -0.580
124 1HB SER 18 1HB SER 18 -1.027 -11.603 -0.026
125 2HB SER 18 2HB SER 18 -0.923 -10.174 0.964
126 HG SER 18 HG SER 18 -2.664 -10.515 -1.202
127 H ASP 19 H ASP 19 -0.928 -8.670 -2.858
128 HA ASP 19 HA ASP 19 -1.096 -10.826 -4.816
129 1HB ASP 19 1HB ASP 19 -1.937 -8.009 -4.549
130 2HB ASP 19 2HB ASP 19 -1.395 -8.350 -6.170
131 H GLY 20 H GLY 20 1.662 -9.308 -3.647
132 1HA GLY 20 1HA GLY 20 3.795 -9.050 -4.585
133 2HA GLY 20 2HA GLY 20 3.151 -9.340 -6.206
134 H ASN 21 H ASN 21 0.908 -7.495 -4.957
135 HA ASN 21 HA ASN 21 1.258 -5.288 -6.593
136 1HB ASN 21 1HB ASN 21 -0.873 -6.253 -6.131
137 2HB ASN 21 2HB ASN 21 -0.641 -6.117 -4.371
138 1HD2 ASN 21 1HD2 ASN 21 -0.474 -3.644 -7.123
139 2HD2 ASN 21 2HD2 ASN 21 -1.830 -2.788 -6.410
140 H THR 22 H THR 22 3.033 -3.986 -6.095
141 HA THR 22 HA THR 22 3.702 -3.255 -3.500
142 HB THR 22 HB THR 22 4.526 -1.973 -6.111
143 HG1 THR 22 HG1 THR 22 5.244 -4.017 -6.150
144 1HG2 THR 22 1HG2 THR 22 6.553 -1.282 -4.868
145 2HG2 THR 22 2HG2 THR 22 5.119 -0.503 -4.171
146 3HG2 THR 22 3HG2 THR 22 5.867 -1.900 -3.365
147 H TYR 23 H TYR 23 3.408 -1.297 -2.282
148 HA TYR 23 HA TYR 23 1.484 0.748 -3.300
149 1HB TYR 23 1HB TYR 23 1.643 -0.614 -0.586
150 2HB TYR 23 2HB TYR 23 1.057 1.020 -0.724
151 HD1 TYR 23 HD1 TYR 23 0.321 -2.504 -1.747
152 HD2 TYR 23 HD2 TYR 23 -1.159 1.541 -1.412
153 HE1 TYR 23 HE1 TYR 23 -1.991 -3.314 -2.096
154 HE2 TYR 23 HE2 TYR 23 -3.451 0.743 -1.804
155 HH TYR 23 HH TYR 23 -4.668 -1.101 -2.702
156 H SER 24 H SER 24 2.080 2.923 -2.624
157 HA SER 24 HA SER 24 4.787 3.422 -2.616
158 1HB SER 24 1HB SER 24 2.685 5.346 -1.627
159 2HB SER 24 2HB SER 24 4.164 5.708 -2.532
160 HG SER 24 HG SER 24 3.251 4.763 -4.349
161 H ASN 25 H ASN 25 2.788 2.798 0.240
162 HA ASN 25 HA ASN 25 5.047 2.486 1.815
163 1HB ASN 25 1HB ASN 25 4.367 4.128 3.691
164 2HB ASN 25 2HB ASN 25 5.206 4.791 2.316
165 1HD2 ASN 25 1HD2 ASN 25 4.353 6.666 1.599
166 2HD2 ASN 25 2HD2 ASN 25 2.759 7.273 2.071
167 HA PRO 26 HA PRO 26 2.272 -0.358 3.592
168 1HB PRO 26 1HB PRO 26 2.860 -0.564 6.227
169 2HB PRO 26 2HB PRO 26 3.881 -1.189 4.898
170 1HG PRO 26 1HG PRO 26 4.204 1.368 6.441
171 2HG PRO 26 2HG PRO 26 5.461 0.177 5.957
172 1HD PRO 26 1HD PRO 26 5.020 2.479 4.614
173 2HD PRO 26 2HD PRO 26 5.529 1.012 3.777
174 H CYS 27 H CYS 27 2.315 2.889 4.873
175 HA CYS 27 HA CYS 27 -0.128 2.705 6.377
176 1HB CYS 27 1HB CYS 27 1.785 4.547 6.428
177 2HB CYS 27 2HB CYS 27 0.841 5.265 5.132
178 H MET 28 H MET 28 0.656 3.849 3.014
179 HA MET 28 HA MET 28 -2.060 4.348 2.300
180 1HB MET 28 1HB MET 28 0.358 3.682 0.591
181 2HB MET 28 2HB MET 28 -1.236 4.054 -0.069
182 1HG MET 28 1HG MET 28 -0.653 6.065 1.894
183 2HG MET 28 2HG MET 28 0.789 5.879 0.913
184 1HE MET 28 1HE MET 28 0.071 5.368 -1.934
185 2HE MET 28 2HE MET 28 -0.314 6.955 -2.633
186 3HE MET 28 3HE MET 28 1.062 6.791 -1.526
187 H LEU 29 H LEU 29 -0.175 1.332 2.138
188 HA LEU 29 HA LEU 29 -2.205 -0.386 1.070
189 1HB LEU 29 1HB LEU 29 -0.114 -1.196 1.201
190 2HB LEU 29 2HB LEU 29 0.132 -0.799 2.917
191 HG LEU 29 HG LEU 29 -1.281 -3.045 1.722
192 1HD1 LEU 29 1HD1 LEU 29 0.579 -4.420 2.512
193 2HD1 LEU 29 2HD1 LEU 29 1.141 -3.133 1.445
194 3HD1 LEU 29 3HD1 LEU 29 1.343 -2.969 3.202
195 1HD2 LEU 29 1HD2 LEU 29 -2.358 -2.817 3.893
196 2HD2 LEU 29 2HD2 LEU 29 -1.161 -4.085 4.082
197 3HD2 LEU 29 3HD2 LEU 29 -0.787 -2.464 4.676
198 H THR 30 H THR 30 -1.325 -0.077 4.502
199 HA THR 30 HA THR 30 -3.653 -1.403 5.358
200 HB THR 30 HB THR 30 -1.475 -0.536 6.623
201 HG1 THR 30 HG1 THR 30 -2.350 -1.478 8.377
202 1HG2 THR 30 1HG2 THR 30 -3.660 1.220 7.759
203 2HG2 THR 30 2HG2 THR 30 -1.993 1.038 8.363
204 3HG2 THR 30 3HG2 THR 30 -2.288 1.777 6.777
205 H CYS 31 H CYS 31 -3.278 2.102 4.766
206 HA CYS 31 HA CYS 31 -5.702 2.959 5.586
207 1HB CYS 31 1HB CYS 31 -4.333 4.705 4.798
208 2HB CYS 31 2HB CYS 31 -3.859 3.800 3.367
209 H ALA 32 H ALA 32 -4.854 2.007 2.235
210 HA ALA 32 HA ALA 32 -7.302 1.742 0.996
211 1HB ALA 32 1HB ALA 32 -5.142 1.437 -0.081
212 2HB ALA 32 2HB ALA 32 -4.937 -0.127 0.740
213 3HB ALA 32 3HB ALA 32 -6.265 0.074 -0.404
214 H LYS 33 H LYS 33 -5.669 -0.630 2.970
215 HA LYS 33 HA LYS 33 -7.436 -2.819 2.732
216 1HB LYS 33 1HB LYS 33 -5.137 -2.801 3.813
217 2HB LYS 33 2HB LYS 33 -5.914 -2.167 5.268
218 1HG LYS 33 1HG LYS 33 -7.410 -4.076 5.368
219 2HG LYS 33 2HG LYS 33 -6.728 -4.720 3.865
220 1HD LYS 33 1HD LYS 33 -4.667 -5.206 4.755
221 2HD LYS 33 2HD LYS 33 -4.887 -4.235 6.146
222 1HE LYS 33 1HE LYS 33 -6.661 -6.599 5.432
223 2HE LYS 33 2HE LYS 33 -5.217 -6.788 6.426
224 1HZ LYS 33 1HZ LYS 33 -7.253 -6.615 7.731
225 2HZ LYS 33 2HZ LYS 33 -6.269 -5.331 8.070
226 3HZ LYS 33 3HZ LYS 33 -7.585 -5.141 7.090
227 H HIS 34 H HIS 34 -7.390 -0.418 5.382
228 HA HIS 34 HA HIS 34 -10.022 -1.177 6.345
229 1HB HIS 34 1HB HIS 34 -7.971 0.944 6.942
230 2HB HIS 34 2HB HIS 34 -9.628 1.286 7.381
231 HD1 HIS 34 HD1 HIS 34 -6.685 -0.453 8.764
232 HD2 HIS 34 HD2 HIS 34 -10.881 -0.817 8.903
233 HE1 HIS 34 HE1 HIS 34 -7.246 -1.893 10.822
234 H GLU 35 H GLU 35 -8.922 0.939 3.795
235 HA GLU 35 HA GLU 35 -11.346 2.574 3.902
236 1HB GLU 35 1HB GLU 35 -8.984 3.145 3.000
237 2HB GLU 35 2HB GLU 35 -9.546 2.495 1.475
238 1HG GLU 35 1HG GLU 35 -11.078 4.655 2.982
239 2HG GLU 35 2HG GLU 35 -9.605 5.061 2.163
240 H GLY 36 H GLY 36 -10.257 -0.064 1.736
241 1HA GLY 36 1HA GLY 36 -12.960 -1.112 1.475
242 2HA GLY 36 2HA GLY 36 -12.434 -0.231 0.042
243 H ASN 37 H ASN 37 -10.057 -2.150 1.962
244 HA ASN 37 HA ASN 37 -10.132 -4.281 -0.152
245 1HB ASN 37 1HB ASN 37 -8.239 -2.347 -0.408
246 2HB ASN 37 2HB ASN 37 -7.454 -3.245 0.798
247 1HD2 ASN 37 1HD2 ASN 37 -6.261 -3.030 -1.706
248 2HD2 ASN 37 2HD2 ASN 37 -6.335 -4.625 -2.415
249 HA PRO 38 HA PRO 38 -9.943 -5.629 4.345
250 1HB PRO 38 1HB PRO 38 -11.904 -7.566 4.323
251 2HB PRO 38 2HB PRO 38 -12.222 -5.827 4.608
252 1HG PRO 38 1HG PRO 38 -12.445 -7.354 1.993
253 2HG PRO 38 2HG PRO 38 -13.654 -6.254 2.735
254 1HD PRO 38 1HD PRO 38 -11.959 -5.382 0.801
255 2HD PRO 38 2HD PRO 38 -12.355 -4.333 2.199
256 H ASP 39 H ASP 39 -9.835 -7.212 1.285
257 HA ASP 39 HA ASP 39 -8.682 -9.745 2.021
258 1HB ASP 39 1HB ASP 39 -9.744 -8.301 -0.313
259 2HB ASP 39 2HB ASP 39 -8.221 -9.061 -0.714
260 H LEU 40 H LEU 40 -7.317 -6.520 1.658
261 HA LEU 40 HA LEU 40 -4.680 -7.395 0.686
262 1HB LEU 40 1HB LEU 40 -5.252 -5.217 -0.002
263 2HB LEU 40 2HB LEU 40 -6.065 -4.851 1.523
264 HG LEU 40 HG LEU 40 -4.111 -4.531 2.670
265 1HD1 LEU 40 1HD1 LEU 40 -2.026 -4.991 2.077
266 2HD1 LEU 40 2HD1 LEU 40 -2.728 -5.990 0.797
267 3HD1 LEU 40 3HD1 LEU 40 -2.235 -4.355 0.397
268 1HD2 LEU 40 1HD2 LEU 40 -5.069 -2.590 1.468
269 2HD2 LEU 40 2HD2 LEU 40 -3.309 -2.436 1.515
270 3HD2 LEU 40 3HD2 LEU 40 -4.112 -2.980 0.045
271 H VAL 41 H VAL 41 -2.847 -7.382 2.104
272 HA VAL 41 HA VAL 41 -3.309 -7.187 4.973
273 HB VAL 41 HB VAL 41 -2.233 -9.399 5.284
274 1HG1 VAL 41 1HG1 VAL 41 -4.791 -9.726 3.677
275 2HG1 VAL 41 2HG1 VAL 41 -4.157 -10.782 4.939
276 3HG1 VAL 41 3HG1 VAL 41 -4.735 -9.158 5.367
277 1HG2 VAL 41 1HG2 VAL 41 -2.171 -11.047 3.472
278 2HG2 VAL 41 2HG2 VAL 41 -2.762 -9.848 2.315
279 3HG2 VAL 41 3HG2 VAL 41 -1.162 -9.657 3.083
280 H GLN 42 H GLN 42 -1.336 -6.776 6.085
281 HA GLN 42 HA GLN 42 0.969 -5.917 4.545
282 1HB GLN 42 1HB GLN 42 0.199 -4.951 6.799
283 2HB GLN 42 2HB GLN 42 0.768 -6.434 7.543
284 1HG GLN 42 1HG GLN 42 2.608 -4.986 7.761
285 2HG GLN 42 2HG GLN 42 3.060 -5.940 6.354
286 1HE2 GLN 42 1HE2 GLN 42 3.921 -4.571 4.600
287 2HE2 GLN 42 2HE2 GLN 42 3.329 -2.944 4.433
288 H VAL 43 H VAL 43 1.309 -7.909 3.312
289 HA VAL 43 HA VAL 43 2.094 -10.337 4.427
290 HB VAL 43 HB VAL 43 3.663 -10.409 2.329
291 1HG1 VAL 43 1HG1 VAL 43 1.851 -11.220 1.023
292 2HG1 VAL 43 2HG1 VAL 43 1.669 -11.743 2.684
293 3HG1 VAL 43 3HG1 VAL 43 0.678 -10.392 2.110
294 1HG2 VAL 43 1HG2 VAL 43 3.350 -7.928 1.802
295 2HG2 VAL 43 2HG2 VAL 43 2.890 -9.003 0.483
296 3HG2 VAL 43 3HG2 VAL 43 1.640 -8.259 1.509
297 H HIS 44 H HIS 44 4.011 -7.395 3.607
298 HA HIS 44 HA HIS 44 5.758 -7.563 5.804
299 1HB HIS 44 1HB HIS 44 7.833 -8.116 4.728
300 2HB HIS 44 2HB HIS 44 6.750 -9.462 4.638
301 HD1 HIS 44 HD1 HIS 44 9.194 -7.901 2.552
302 HD2 HIS 44 HD2 HIS 44 5.273 -9.201 1.940
303 HE1 HIS 44 HE1 HIS 44 9.015 -8.580 0.087
304 H GLU 45 H GLU 45 7.777 -6.042 5.139
305 HA GLU 45 HA GLU 45 6.859 -3.539 3.877
306 1HB GLU 45 1HB GLU 45 8.029 -3.940 6.333
307 2HB GLU 45 2HB GLU 45 9.482 -3.791 5.381
308 1HG GLU 45 1HG GLU 45 7.304 -1.686 5.155
309 2HG GLU 45 2HG GLU 45 8.262 -1.766 6.611
310 H GLY 46 H GLY 46 9.021 -2.576 2.695
311 1HA GLY 46 1HA GLY 46 10.468 -2.664 1.022
312 2HA GLY 46 2HA GLY 46 10.704 -4.406 1.247
313 HA PRO 47 HA PRO 47 7.498 -3.397 -2.219
314 1HB PRO 47 1HB PRO 47 8.779 -2.403 -4.380
315 2HB PRO 47 2HB PRO 47 8.299 -1.378 -2.996
316 1HG PRO 47 1HG PRO 47 11.031 -2.566 -3.548
317 2HG PRO 47 2HG PRO 47 10.623 -0.877 -3.105
318 1HD PRO 47 1HD PRO 47 11.412 -2.774 -1.273
319 2HD PRO 47 2HD PRO 47 10.307 -1.441 -0.864
320 H CYS 48 H CYS 48 6.920 -5.016 -3.619
321 HA CYS 48 HA CYS 48 8.867 -7.186 -4.191
322 1HB CYS 48 1HB CYS 48 5.903 -6.799 -4.677
323 2HB CYS 48 2HB CYS 48 6.773 -8.074 -5.491
324 H ASP 49 H ASP 49 6.403 -5.614 -6.283
325 HA ASP 49 HA ASP 49 8.072 -4.736 -8.327
326 1HB ASP 49 1HB ASP 49 8.385 -7.206 -8.580
327 2HB ASP 49 2HB ASP 49 6.640 -7.425 -8.544
328 H GLU 50 H GLU 50 6.510 -4.302 -10.217
329 HA GLU 50 HA GLU 50 4.252 -4.828 -10.842
330 1HB GLU 50 1HB GLU 50 3.032 -4.581 -8.800
331 2HB GLU 50 2HB GLU 50 3.352 -2.835 -8.747
332 1HG GLU 50 1HG GLU 50 2.080 -2.592 -10.879
333 2HG GLU 50 2HG GLU 50 1.864 -4.336 -10.949
334 H HIS 51 H HIS 51 4.895 -1.512 -9.856
335 HA HIS 51 HA HIS 51 5.507 -0.709 -12.601
336 1HB HIS 51 1HB HIS 51 3.879 1.016 -12.724
337 2HB HIS 51 2HB HIS 51 3.049 -0.504 -12.456
338 HD1 HIS 51 HD1 HIS 51 3.110 2.957 -11.253
339 HD2 HIS 51 HD2 HIS 51 2.234 -0.820 -9.620
340 HE1 HIS 51 HE1 HIS 51 1.709 3.359 -9.142
341 H ASP 52 H ASP 52 7.647 -0.503 -11.716
342 HA ASP 52 HA ASP 52 8.293 1.044 -9.496
343 1HB ASP 52 1HB ASP 52 10.544 1.254 -10.604
344 2HB ASP 52 2HB ASP 52 9.957 -0.379 -10.318
345 H HIS 53 H HIS 53 9.084 3.161 -9.302
346 HA HIS 53 HA HIS 53 8.876 5.137 -11.379
347 1HB HIS 53 1HB HIS 53 7.037 6.430 -10.281
348 2HB HIS 53 2HB HIS 53 6.524 4.948 -11.057
349 HD1 HIS 53 HD1 HIS 53 5.719 2.894 -9.383
350 HD2 HIS 53 HD2 HIS 53 6.528 6.663 -7.658
351 HE1 HIS 53 HE1 HIS 53 4.623 2.895 -7.101
352 H ASP 54 H ASP 54 11.165 4.605 -10.131
353 HA ASP 54 HA ASP 54 11.475 6.326 -7.801
354 1HB ASP 54 1HB ASP 54 13.803 5.542 -7.863
355 2HB ASP 54 2HB ASP 54 12.640 4.241 -7.700
356 H PHE 55 H PHE 55 13.667 7.708 -8.122
357 HA PHE 55 HA PHE 55 13.470 9.327 -10.588
358 1HB PHE 55 2HB PHE 55 14.564 10.049 -7.833
359 2HB PHE 55 1HB PHE 55 14.762 11.018 -9.279
360 HD1 PHE 55 HD1 PHE 55 12.506 10.148 -6.554
361 HD2 PHE 55 HD2 PHE 55 12.772 12.085 -10.391
362 HE1 PHE 55 HE1 PHE 55 10.391 11.365 -6.086
363 HE2 PHE 55 HE2 PHE 55 10.660 13.306 -9.922
364 HZ PHE 55 HZ PHE 55 9.467 12.949 -7.768
Start of MODEL 3
1 1H PHE 1 1H PHE 1 -15.620 5.882 4.384
2 2H PHE 1 2H PHE 1 -15.184 4.887 5.630
3 3H PHE 1 3H PHE 1 -14.730 6.484 5.630
4 HA PHE 1 HA PHE 1 -12.845 5.123 4.978
5 1HB PHE 1 2HB PHE 1 -13.156 3.968 2.726
6 2HB PHE 1 1HB PHE 1 -13.718 3.204 4.188
7 HD1 PHE 1 HD1 PHE 1 -16.002 2.537 4.454
8 HD2 PHE 1 HD2 PHE 1 -14.847 5.043 1.130
9 HE1 PHE 1 HE1 PHE 1 -18.240 2.239 3.448
10 HE2 PHE 1 HE2 PHE 1 -17.094 4.735 0.132
11 HZ PHE 1 HZ PHE 1 -18.796 3.336 1.288
12 H GLN 2 H GLN 2 -11.592 6.717 4.449
13 HA GLN 2 HA GLN 2 -10.861 6.809 2.082
14 1HB GLN 2 1HB GLN 2 -12.689 8.299 1.275
15 2HB GLN 2 2HB GLN 2 -12.038 9.608 2.274
16 1HG GLN 2 1HG GLN 2 -9.835 9.288 1.033
17 2HG GLN 2 2HG GLN 2 -10.619 8.032 0.066
18 1HE2 GLN 2 1HE2 GLN 2 -11.886 8.680 -1.724
19 2HE2 GLN 2 2HE2 GLN 2 -12.158 10.380 -2.101
20 H GLY 3 H GLY 3 -10.794 9.955 3.677
21 1HA GLY 3 1HA GLY 3 -7.956 9.844 4.106
22 2HA GLY 3 2HA GLY 3 -9.052 11.137 4.595
23 H ASN 4 H ASN 4 -10.602 8.834 6.149
24 HA ASN 4 HA ASN 4 -9.172 9.188 8.632
25 1HB ASN 4 1HB ASN 4 -11.789 8.578 8.107
26 2HB ASN 4 2HB ASN 4 -11.181 6.986 8.550
27 1HD2 ASN 4 1HD2 ASN 4 -10.376 10.345 9.862
28 2HD2 ASN 4 2HD2 ASN 4 -10.843 9.868 11.481
29 HA PRO 5 HA PRO 5 -7.232 4.892 7.740
30 1HB PRO 5 1HB PRO 5 -7.458 4.247 5.002
31 2HB PRO 5 2HB PRO 5 -8.137 3.364 6.394
32 1HG PRO 5 1HG PRO 5 -9.378 5.131 4.407
33 2HG PRO 5 2HG PRO 5 -10.137 3.876 5.403
34 1HD PRO 5 1HD PRO 5 -10.386 6.628 5.887
35 2HD PRO 5 2HD PRO 5 -10.584 5.365 7.129
36 H CYS 6 H CYS 6 -7.422 7.121 4.826
37 HA CYS 6 HA CYS 6 -4.472 7.154 4.798
38 1HB CYS 6 1HB CYS 6 -6.615 8.052 2.904
39 2HB CYS 6 2HB CYS 6 -5.007 8.738 2.786
40 H GLU 7 H GLU 7 -4.511 8.177 7.016
41 HA GLU 7 HA GLU 7 -4.085 11.105 6.562
42 1HB GLU 7 1HB GLU 7 -5.827 10.746 8.258
43 2HB GLU 7 2HB GLU 7 -4.718 9.753 9.215
44 1HG GLU 7 1HG GLU 7 -3.214 11.692 9.510
45 2HG GLU 7 2HG GLU 7 -4.198 12.658 8.413
46 H CYS 8 H CYS 8 -2.034 10.640 5.585
47 HA CYS 8 HA CYS 8 0.102 9.908 7.407
48 1HB CYS 8 1HB CYS 8 -1.189 7.930 5.678
49 2HB CYS 8 2HB CYS 8 0.495 8.131 5.220
50 HA PRO 9 HA PRO 9 2.339 12.404 4.588
51 1HB PRO 9 1HB PRO 9 4.920 11.586 4.814
52 2HB PRO 9 2HB PRO 9 4.011 12.214 6.225
53 1HG PRO 9 1HG PRO 9 4.487 9.316 5.440
54 2HG PRO 9 2HG PRO 9 4.714 10.076 7.051
55 1HD PRO 9 1HD PRO 9 2.458 8.703 6.273
56 2HD PRO 9 2HD PRO 9 2.420 10.024 7.476
57 H ARG 10 H ARG 10 3.651 12.516 2.591
58 HA ARG 10 HA ARG 10 3.126 10.338 0.693
59 1HB ARG 10 1HB ARG 10 4.674 12.954 0.365
60 2HB ARG 10 2HB ARG 10 4.176 11.874 -0.941
61 1HG ARG 10 1HG ARG 10 1.794 12.341 -0.449
62 2HG ARG 10 2HG ARG 10 2.281 13.432 0.871
63 1HD ARG 10 1HD ARG 10 3.606 14.768 -0.784
64 2HD ARG 10 2HD ARG 10 2.951 13.753 -2.086
65 HE ARG 10 HE ARG 10 0.757 14.675 -0.646
66 1HH1 ARG 10 2HH2 ARG 10 3.343 16.120 -2.555
67 2HH1 ARG 10 1HH2 ARG 10 2.479 17.563 -2.961
68 1HH2 ARG 10 2HH1 ARG 10 -0.435 16.592 -1.151
69 2HH2 ARG 10 1HH1 ARG 10 0.261 17.820 -2.141
70 H ALA 11 H ALA 11 4.695 9.359 2.756
71 HA ALA 11 HA ALA 11 7.439 9.458 2.237
72 1HB ALA 11 1HB ALA 11 5.798 7.414 3.782
73 2HB ALA 11 2HB ALA 11 7.570 7.533 3.810
74 3HB ALA 11 3HB ALA 11 6.597 8.866 4.443
75 H LEU 12 H LEU 12 8.642 8.437 0.677
76 HA LEU 12 HA LEU 12 7.506 6.431 -1.081
77 1HB LEU 12 1HB LEU 12 10.078 8.046 -0.736
78 2HB LEU 12 2HB LEU 12 10.032 6.729 -1.868
79 HG LEU 12 HG LEU 12 9.684 8.948 -2.819
80 1HD1 LEU 12 1HD1 LEU 12 9.067 6.869 -4.029
81 2HD1 LEU 12 2HD1 LEU 12 7.428 6.953 -3.337
82 3HD1 LEU 12 3HD1 LEU 12 7.989 8.206 -4.462
83 1HD2 LEU 12 1HD2 LEU 12 7.536 10.042 -2.853
84 2HD2 LEU 12 2HD2 LEU 12 6.866 8.853 -1.725
85 3HD2 LEU 12 3HD2 LEU 12 8.161 9.961 -1.202
86 H HIS 13 H HIS 13 7.444 5.327 1.448
87 HA HIS 13 HA HIS 13 9.870 3.618 1.842
88 1HB HIS 13 1HB HIS 13 7.291 3.985 3.430
89 2HB HIS 13 2HB HIS 13 8.408 2.660 3.717
90 HD1 HIS 13 HD1 HIS 13 9.066 3.326 6.092
91 HD2 HIS 13 HD2 HIS 13 9.766 6.273 3.160
92 HE1 HIS 13 HE1 HIS 13 10.428 5.183 7.215
93 H ARG 14 H ARG 14 9.228 2.916 -0.563
94 HA ARG 14 HA ARG 14 6.754 1.785 -1.071
95 1HB ARG 14 1HB ARG 14 9.401 1.030 -2.381
96 2HB ARG 14 2HB ARG 14 7.806 0.546 -2.963
97 1HG ARG 14 1HG ARG 14 7.170 3.017 -3.059
98 2HG ARG 14 2HG ARG 14 8.859 3.396 -2.707
99 1HD ARG 14 1HD ARG 14 8.524 3.564 -5.076
100 2HD ARG 14 2HD ARG 14 9.536 2.142 -4.759
101 HE ARG 14 HE ARG 14 6.794 1.373 -4.832
102 1HH1 ARG 14 2HH2 ARG 14 9.350 2.411 -7.037
103 2HH1 ARG 14 1HH2 ARG 14 8.736 1.567 -8.417
104 1HH2 ARG 14 2HH1 ARG 14 5.924 0.259 -6.685
105 2HH2 ARG 14 1HH1 ARG 14 6.747 0.305 -8.193
106 H VAL 15 H VAL 15 5.695 -0.133 -0.888
107 HA VAL 15 HA VAL 15 7.083 -2.429 0.350
108 HB VAL 15 HB VAL 15 5.390 -2.828 1.916
109 1HG1 VAL 15 1HG1 VAL 15 5.939 0.084 2.224
110 2HG1 VAL 15 2HG1 VAL 15 5.881 -1.149 3.498
111 3HG1 VAL 15 3HG1 VAL 15 7.254 -1.088 2.358
112 1HG2 VAL 15 1HG2 VAL 15 3.948 -0.291 1.010
113 2HG2 VAL 15 2HG2 VAL 15 3.365 -1.951 0.778
114 3HG2 VAL 15 3HG2 VAL 15 3.524 -1.327 2.399
115 H CYS 16 H CYS 16 5.542 -4.467 0.258
116 HA CYS 16 HA CYS 16 3.680 -4.172 -2.060
117 1HB CYS 16 1HB CYS 16 5.325 -5.209 -3.139
118 2HB CYS 16 2HB CYS 16 6.015 -5.967 -1.708
119 H GLY 17 H GLY 17 1.801 -5.204 -2.052
120 1HA GLY 17 1HA GLY 17 0.872 -6.379 0.521
121 2HA GLY 17 2HA GLY 17 -0.130 -5.832 -0.825
122 H SER 18 H SER 18 -0.350 -8.326 0.342
123 HA SER 18 HA SER 18 0.632 -10.591 -0.424
124 1HB SER 18 1HB SER 18 -1.348 -11.494 0.194
125 2HB SER 18 2HB SER 18 -1.718 -9.843 0.615
126 HG SER 18 HG SER 18 -2.802 -9.650 -1.586
127 H ASP 19 H ASP 19 -1.246 -8.834 -2.612
128 HA ASP 19 HA ASP 19 -1.516 -10.435 -4.803
129 1HB ASP 19 1HB ASP 19 -1.498 -7.410 -4.409
130 2HB ASP 19 2HB ASP 19 -2.340 -8.223 -5.713
131 H GLY 20 H GLY 20 1.475 -9.246 -3.769
132 1HA GLY 20 1HA GLY 20 3.503 -8.947 -4.862
133 2HA GLY 20 2HA GLY 20 2.735 -9.210 -6.426
134 H ASN 21 H ASN 21 0.752 -7.100 -4.965
135 HA ASN 21 HA ASN 21 1.329 -5.016 -6.718
136 1HB ASN 21 1HB ASN 21 -0.913 -5.887 -5.970
137 2HB ASN 21 2HB ASN 21 -0.656 -5.101 -4.411
138 1HD2 ASN 21 1HD2 ASN 21 -1.718 -4.702 -7.690
139 2HD2 ASN 21 2HD2 ASN 21 -2.022 -2.979 -7.546
140 H THR 22 H THR 22 3.235 -3.777 -6.255
141 HA THR 22 HA THR 22 3.916 -3.023 -3.666
142 HB THR 22 HB THR 22 4.782 -1.682 -6.230
143 HG1 THR 22 HG1 THR 22 5.564 -3.672 -6.497
144 1HG2 THR 22 1HG2 THR 22 6.226 -1.894 -3.536
145 2HG2 THR 22 2HG2 THR 22 6.799 -1.045 -4.951
146 3HG2 THR 22 3HG2 THR 22 5.393 -0.433 -4.054
147 H TYR 23 H TYR 23 3.650 -1.100 -2.488
148 HA TYR 23 HA TYR 23 1.774 1.012 -3.400
149 1HB TYR 23 1HB TYR 23 2.049 -0.387 -0.700
150 2HB TYR 23 2HB TYR 23 1.350 1.204 -0.846
151 HD1 TYR 23 HD1 TYR 23 0.875 -2.357 -1.923
152 HD2 TYR 23 HD2 TYR 23 -0.921 1.532 -1.394
153 HE1 TYR 23 HE1 TYR 23 -1.366 -3.337 -2.295
154 HE2 TYR 23 HE2 TYR 23 -3.154 0.564 -1.743
155 HH TYR 23 HH TYR 23 -4.297 -1.331 -2.506
156 H SER 24 H SER 24 2.394 3.114 -2.599
157 HA SER 24 HA SER 24 5.110 3.655 -2.506
158 1HB SER 24 1HB SER 24 3.357 5.297 -3.147
159 2HB SER 24 2HB SER 24 2.920 5.457 -1.434
160 HG SER 24 HG SER 24 5.168 6.086 -1.086
161 H ASN 25 H ASN 25 2.972 2.917 0.263
162 HA ASN 25 HA ASN 25 5.164 2.481 1.989
163 1HB ASN 25 1HB ASN 25 4.461 4.155 3.763
164 2HB ASN 25 2HB ASN 25 5.232 4.861 2.368
165 1HD2 ASN 25 1HD2 ASN 25 4.228 6.684 1.614
166 2HD2 ASN 25 2HD2 ASN 25 2.571 7.121 2.035
167 HA PRO 26 HA PRO 26 2.063 -0.190 3.391
168 1HB PRO 26 1HB PRO 26 2.516 -0.738 6.014
169 2HB PRO 26 2HB PRO 26 3.624 -1.242 4.705
170 1HG PRO 26 1HG PRO 26 3.869 1.146 6.534
171 2HG PRO 26 2HG PRO 26 5.130 -0.011 6.013
172 1HD PRO 26 1HD PRO 26 4.726 2.469 4.903
173 2HD PRO 26 2HD PRO 26 5.463 1.131 4.009
174 H CYS 27 H CYS 27 2.211 2.966 4.801
175 HA CYS 27 HA CYS 27 -0.220 2.843 6.316
176 1HB CYS 27 1HB CYS 27 1.660 4.640 6.336
177 2HB CYS 27 2HB CYS 27 0.812 5.351 4.973
178 H MET 28 H MET 28 0.551 3.803 2.943
179 HA MET 28 HA MET 28 -2.087 4.384 2.074
180 1HB MET 28 1HB MET 28 0.258 3.195 0.527
181 2HB MET 28 2HB MET 28 -1.221 3.794 -0.210
182 1HG MET 28 1HG MET 28 -0.068 5.775 1.619
183 2HG MET 28 2HG MET 28 1.097 5.272 0.399
184 1HE MET 28 1HE MET 28 -0.617 6.325 -2.957
185 2HE MET 28 2HE MET 28 0.919 5.877 -2.195
186 3HE MET 28 3HE MET 28 -0.438 4.726 -2.206
187 H LEU 29 H LEU 29 -0.331 1.275 2.031
188 HA LEU 29 HA LEU 29 -2.374 -0.415 1.041
189 1HB LEU 29 1HB LEU 29 -0.407 -1.303 1.071
190 2HB LEU 29 2HB LEU 29 0.151 -0.680 2.587
191 HG LEU 29 HG LEU 29 -1.785 -2.933 2.619
192 1HD1 LEU 29 1HD1 LEU 29 0.144 -4.518 2.328
193 2HD1 LEU 29 2HD1 LEU 29 -0.041 -3.519 0.885
194 3HD1 LEU 29 3HD1 LEU 29 1.231 -3.146 2.058
195 1HD2 LEU 29 1HD2 LEU 29 0.637 -2.267 4.338
196 2HD2 LEU 29 2HD2 LEU 29 -1.061 -2.137 4.826
197 3HD2 LEU 29 3HD2 LEU 29 -0.396 -3.708 4.484
198 H THR 30 H THR 30 -1.428 -0.004 4.381
199 HA THR 30 HA THR 30 -3.692 -1.395 5.374
200 HB THR 30 HB THR 30 -1.512 -0.395 6.591
201 HG1 THR 30 HG1 THR 30 -2.516 -1.176 8.497
202 1HG2 THR 30 1HG2 THR 30 -3.794 1.196 7.780
203 2HG2 THR 30 2HG2 THR 30 -2.081 1.156 8.306
204 3HG2 THR 30 3HG2 THR 30 -2.508 1.868 6.745
205 H CYS 31 H CYS 31 -3.412 2.137 4.753
206 HA CYS 31 HA CYS 31 -5.850 2.959 5.553
207 1HB CYS 31 1HB CYS 31 -4.536 4.712 4.727
208 2HB CYS 31 2HB CYS 31 -3.995 3.790 3.342
209 H ALA 32 H ALA 32 -5.038 1.964 2.222
210 HA ALA 32 HA ALA 32 -7.469 1.596 1.000
211 1HB ALA 32 1HB ALA 32 -5.106 -0.267 0.777
212 2HB ALA 32 2HB ALA 32 -6.399 -0.008 -0.397
213 3HB ALA 32 3HB ALA 32 -5.256 1.319 -0.015
214 H LYS 33 H LYS 33 -5.825 -0.691 3.021
215 HA LYS 33 HA LYS 33 -7.537 -2.953 2.824
216 1HB LYS 33 1HB LYS 33 -5.239 -2.866 3.854
217 2HB LYS 33 2HB LYS 33 -5.987 -2.197 5.304
218 1HG LYS 33 1HG LYS 33 -7.438 -4.139 5.516
219 2HG LYS 33 2HG LYS 33 -6.762 -4.829 4.022
220 1HD LYS 33 1HD LYS 33 -4.666 -5.187 4.879
221 2HD LYS 33 2HD LYS 33 -4.895 -4.157 6.232
222 1HE LYS 33 1HE LYS 33 -6.606 -6.611 5.708
223 2HE LYS 33 2HE LYS 33 -5.110 -6.711 6.634
224 1HZ LYS 33 1HZ LYS 33 -6.107 -5.128 8.227
225 2HZ LYS 33 2HZ LYS 33 -7.490 -5.092 7.341
226 3HZ LYS 33 3HZ LYS 33 -7.041 -6.484 8.079
227 H HIS 34 H HIS 34 -7.533 -0.457 5.341
228 HA HIS 34 HA HIS 34 -10.124 -1.258 6.408
229 1HB HIS 34 1HB HIS 34 -8.186 1.045 6.805
230 2HB HIS 34 2HB HIS 34 -9.790 1.074 7.501
231 HD1 HIS 34 HD1 HIS 34 -9.498 0.353 10.017
232 HD2 HIS 34 HD2 HIS 34 -7.148 -1.857 7.312
233 HE1 HIS 34 HE1 HIS 34 -8.335 -1.481 11.368
234 H GLU 35 H GLU 35 -9.045 0.909 3.899
235 HA GLU 35 HA GLU 35 -11.465 2.500 3.833
236 1HB GLU 35 1HB GLU 35 -9.068 3.015 2.958
237 2HB GLU 35 2HB GLU 35 -9.591 2.254 1.474
238 1HG GLU 35 1HG GLU 35 -11.034 4.563 2.824
239 2HG GLU 35 2HG GLU 35 -9.647 4.838 1.806
240 H GLY 36 H GLY 36 -10.403 -0.336 1.949
241 1HA GLY 36 1HA GLY 36 -13.104 -1.269 1.552
242 2HA GLY 36 2HA GLY 36 -12.500 -0.459 0.112
243 H ASN 37 H ASN 37 -10.115 -2.298 2.057
244 HA ASN 37 HA ASN 37 -10.230 -4.521 0.040
245 1HB ASN 37 1HB ASN 37 -8.378 -2.574 -0.312
246 2HB ASN 37 2HB ASN 37 -7.562 -3.404 0.922
247 1HD2 ASN 37 1HD2 ASN 37 -6.513 -3.210 -1.659
248 2HD2 ASN 37 2HD2 ASN 37 -6.452 -4.856 -2.266
249 HA PRO 38 HA PRO 38 -9.993 -5.647 4.619
250 1HB PRO 38 1HB PRO 38 -11.873 -7.706 4.612
251 2HB PRO 38 2HB PRO 38 -12.229 -5.984 4.951
252 1HG PRO 38 1HG PRO 38 -12.522 -7.481 2.331
253 2HG PRO 38 2HG PRO 38 -13.685 -6.359 3.106
254 1HD PRO 38 1HD PRO 38 -12.051 -5.532 1.109
255 2HD PRO 38 2HD PRO 38 -12.388 -4.464 2.507
256 H ASP 39 H ASP 39 -9.985 -7.496 1.704
257 HA ASP 39 HA ASP 39 -8.729 -9.926 2.302
258 1HB ASP 39 1HB ASP 39 -9.134 -8.064 -0.069
259 2HB ASP 39 2HB ASP 39 -8.212 -9.540 -0.251
260 H LEU 40 H LEU 40 -7.352 -6.681 1.890
261 HA LEU 40 HA LEU 40 -4.709 -7.575 0.955
262 1HB LEU 40 1HB LEU 40 -5.314 -5.473 0.170
263 2HB LEU 40 2HB LEU 40 -6.112 -5.030 1.681
264 HG LEU 40 HG LEU 40 -4.147 -4.552 2.763
265 1HD1 LEU 40 1HD1 LEU 40 -2.095 -5.069 2.184
266 2HD1 LEU 40 2HD1 LEU 40 -2.709 -5.916 0.743
267 3HD1 LEU 40 3HD1 LEU 40 -2.232 -4.223 0.627
268 1HD2 LEU 40 1HD2 LEU 40 -5.269 -2.755 1.515
269 2HD2 LEU 40 2HD2 LEU 40 -3.522 -2.489 1.380
270 3HD2 LEU 40 3HD2 LEU 40 -4.407 -3.201 0.041
271 H VAL 41 H VAL 41 -2.782 -7.333 2.187
272 HA VAL 41 HA VAL 41 -2.918 -7.026 5.065
273 HB VAL 41 HB VAL 41 -1.673 -9.156 5.360
274 1HG1 VAL 41 1HG1 VAL 41 -4.166 -9.002 5.722
275 2HG1 VAL 41 2HG1 VAL 41 -4.379 -9.720 4.103
276 3HG1 VAL 41 3HG1 VAL 41 -3.549 -10.632 5.360
277 1HG2 VAL 41 1HG2 VAL 41 -0.920 -9.474 2.997
278 2HG2 VAL 41 2HG2 VAL 41 -1.694 -10.905 3.672
279 3HG2 VAL 41 3HG2 VAL 41 -2.599 -9.878 2.554
280 H GLN 42 H GLN 42 -0.853 -6.483 5.932
281 HA GLN 42 HA GLN 42 1.275 -5.697 4.072
282 1HB GLN 42 1HB GLN 42 0.795 -4.397 6.183
283 2HB GLN 42 2HB GLN 42 1.232 -5.804 7.124
284 1HG GLN 42 1HG GLN 42 3.375 -5.309 5.233
285 2HG GLN 42 2HG GLN 42 2.928 -3.767 5.935
286 1HE2 GLN 42 1HE2 GLN 42 3.398 -7.179 7.051
287 2HE2 GLN 42 2HE2 GLN 42 4.376 -6.721 8.458
288 H VAL 43 H VAL 43 1.525 -7.801 3.048
289 HA VAL 43 HA VAL 43 2.159 -10.186 4.327
290 HB VAL 43 HB VAL 43 3.625 -10.575 2.187
291 1HG1 VAL 43 1HG1 VAL 43 1.789 -11.384 1.032
292 2HG1 VAL 43 2HG1 VAL 43 1.321 -11.529 2.720
293 3HG1 VAL 43 3HG1 VAL 43 0.664 -10.199 1.742
294 1HG2 VAL 43 1HG2 VAL 43 3.734 -8.239 1.410
295 2HG2 VAL 43 2HG2 VAL 43 2.870 -9.246 0.243
296 3HG2 VAL 43 3HG2 VAL 43 1.963 -8.167 1.315
297 H HIS 44 H HIS 44 4.257 -7.425 3.325
298 HA HIS 44 HA HIS 44 5.623 -7.528 5.717
299 1HB HIS 44 1HB HIS 44 6.925 -9.346 4.429
300 2HB HIS 44 2HB HIS 44 7.419 -8.073 3.313
301 HD1 HIS 44 HD1 HIS 44 7.357 -8.079 7.229
302 HD2 HIS 44 HD2 HIS 44 9.916 -7.582 3.918
303 HE1 HIS 44 HE1 HIS 44 9.618 -7.328 8.154
304 H GLU 45 H GLU 45 7.553 -5.770 5.292
305 HA GLU 45 HA GLU 45 6.486 -3.548 3.660
306 1HB GLU 45 1HB GLU 45 8.764 -3.658 5.674
307 2HB GLU 45 2HB GLU 45 8.319 -2.264 4.668
308 1HG GLU 45 1HG GLU 45 5.979 -2.415 5.762
309 2HG GLU 45 2HG GLU 45 6.737 -3.479 6.945
310 H GLY 46 H GLY 46 8.612 -2.461 2.556
311 1HA GLY 46 1HA GLY 46 10.296 -2.662 1.022
312 2HA GLY 46 2HA GLY 46 10.498 -4.381 1.418
313 HA PRO 47 HA PRO 47 7.471 -3.563 -2.187
314 1HB PRO 47 1HB PRO 47 8.824 -2.903 -4.409
315 2HB PRO 47 2HB PRO 47 8.538 -1.709 -3.101
316 1HG PRO 47 1HG PRO 47 11.044 -3.378 -3.535
317 2HG PRO 47 2HG PRO 47 10.926 -1.596 -3.324
318 1HD PRO 47 1HD PRO 47 11.428 -3.290 -1.227
319 2HD PRO 47 2HD PRO 47 10.468 -1.795 -1.038
320 H CYS 48 H CYS 48 6.974 -4.922 -3.975
321 HA CYS 48 HA CYS 48 8.557 -7.418 -4.295
322 1HB CYS 48 1HB CYS 48 5.740 -6.608 -5.103
323 2HB CYS 48 2HB CYS 48 6.539 -8.035 -5.746
324 H ASP 49 H ASP 49 6.519 -5.805 -6.712
325 HA ASP 49 HA ASP 49 8.355 -4.053 -7.715
326 1HB ASP 49 1HB ASP 49 9.487 -5.030 -9.392
327 2HB ASP 49 2HB ASP 49 9.402 -6.424 -8.342
328 H GLU 50 H GLU 50 7.329 -4.580 -10.578
329 HA GLU 50 HA GLU 50 4.518 -3.734 -10.274
330 1HB GLU 50 1HB GLU 50 6.341 -2.342 -11.647
331 2HB GLU 50 2HB GLU 50 6.028 -3.528 -12.893
332 1HG GLU 50 1HG GLU 50 4.052 -1.654 -11.526
333 2HG GLU 50 2HG GLU 50 4.609 -1.574 -13.195
334 H HIS 51 H HIS 51 6.129 -5.351 -12.975
335 HA HIS 51 HA HIS 51 5.418 -8.039 -12.255
336 1HB HIS 51 1HB HIS 51 3.835 -6.570 -14.366
337 2HB HIS 51 2HB HIS 51 4.426 -8.168 -14.790
338 HD1 HIS 51 HD1 HIS 51 3.123 -7.391 -11.277
339 HD2 HIS 51 HD2 HIS 51 2.083 -9.374 -14.839
340 HE1 HIS 51 HE1 HIS 51 1.036 -8.837 -10.749
341 H ASP 52 H ASP 52 6.301 -5.915 -15.078
342 HA ASP 52 HA ASP 52 9.007 -6.491 -15.016
343 1HB ASP 52 1HB ASP 52 9.399 -7.733 -17.008
344 2HB ASP 52 2HB ASP 52 8.333 -8.720 -16.035
345 H HIS 53 H HIS 53 10.047 -5.358 -16.903
346 HA HIS 53 HA HIS 53 8.353 -3.268 -18.100
347 1HB HIS 53 1HB HIS 53 10.004 -2.488 -16.298
348 2HB HIS 53 2HB HIS 53 11.279 -2.844 -17.455
349 HD1 HIS 53 HD1 HIS 53 8.747 -0.254 -16.567
350 HD2 HIS 53 HD2 HIS 53 11.040 -1.377 -19.914
351 HE1 HIS 53 HE1 HIS 53 8.786 1.768 -18.144
352 H ASP 54 H ASP 54 7.940 -4.815 -19.864
353 HA ASP 54 HA ASP 54 10.150 -5.492 -21.601
354 1HB ASP 54 1HB ASP 54 8.543 -6.315 -23.109
355 2HB ASP 54 2HB ASP 54 8.043 -6.789 -21.496
356 H PHE 55 H PHE 55 9.808 -4.668 -24.075
357 HA PHE 55 HA PHE 55 10.275 -1.753 -23.876
358 1HB PHE 55 2HB PHE 55 11.645 -1.989 -25.872
359 2HB PHE 55 1HB PHE 55 12.253 -2.945 -24.534
360 HD1 PHE 55 HD1 PHE 55 12.477 -5.345 -24.707
361 HD2 PHE 55 HD2 PHE 55 10.475 -3.127 -27.807
362 HE1 PHE 55 HE1 PHE 55 12.561 -7.336 -26.185
363 HE2 PHE 55 HE2 PHE 55 10.571 -5.112 -29.292
364 HZ PHE 55 HZ PHE 55 11.612 -7.224 -28.484
Start of MODEL 4
1 1H PHE 1 1H PHE 1 -14.510 6.284 6.247
2 2H PHE 1 2H PHE 1 -15.513 5.495 5.209
3 3H PHE 1 3H PHE 1 -14.758 4.651 6.414
4 HA PHE 1 HA PHE 1 -12.610 5.080 5.369
5 1HB PHE 1 2HB PHE 1 -13.057 3.769 3.295
6 2HB PHE 1 1HB PHE 1 -13.456 3.036 4.827
7 HD1 PHE 1 HD1 PHE 1 -14.868 4.527 1.716
8 HD2 PHE 1 HD2 PHE 1 -15.753 2.359 5.346
9 HE1 PHE 1 HE1 PHE 1 -17.157 4.081 0.898
10 HE2 PHE 1 HE2 PHE 1 -18.043 1.921 4.518
11 HZ PHE 1 HZ PHE 1 -18.756 2.781 2.296
12 H GLN 2 H GLN 2 -11.601 6.715 4.481
13 HA GLN 2 HA GLN 2 -11.401 6.671 1.985
14 1HB GLN 2 1HB GLN 2 -13.453 7.996 1.507
15 2HB GLN 2 2HB GLN 2 -12.741 9.375 2.361
16 1HG GLN 2 1HG GLN 2 -10.765 9.117 0.686
17 2HG GLN 2 2HG GLN 2 -11.771 7.928 -0.144
18 1HE2 GLN 2 1HE2 GLN 2 -12.356 9.011 -2.068
19 2HE2 GLN 2 2HE2 GLN 2 -13.051 10.628 -2.071
20 H GLY 3 H GLY 3 -11.313 9.828 3.549
21 1HA GLY 3 1HA GLY 3 -8.528 10.157 3.071
22 2HA GLY 3 2HA GLY 3 -9.556 11.241 4.020
23 H ASN 4 H ASN 4 -10.324 9.390 6.103
24 HA ASN 4 HA ASN 4 -8.119 9.861 7.735
25 1HB ASN 4 1HB ASN 4 -10.711 9.323 8.330
26 2HB ASN 4 2HB ASN 4 -9.973 7.799 8.833
27 1HD2 ASN 4 1HD2 ASN 4 -7.380 8.742 9.662
28 2HD2 ASN 4 2HD2 ASN 4 -7.463 10.032 10.812
29 HA PRO 5 HA PRO 5 -6.774 5.199 7.623
30 1HB PRO 5 1HB PRO 5 -7.162 4.086 5.111
31 2HB PRO 5 2HB PRO 5 -8.080 3.691 6.590
32 1HG PRO 5 1HG PRO 5 -8.715 5.470 4.269
33 2HG PRO 5 2HG PRO 5 -9.809 4.373 5.156
34 1HD PRO 5 1HD PRO 5 -9.827 7.034 5.639
35 2HD PRO 5 2HD PRO 5 -10.011 5.882 6.985
36 H CYS 6 H CYS 6 -6.742 7.630 5.017
37 HA CYS 6 HA CYS 6 -3.865 7.092 4.515
38 1HB CYS 6 1HB CYS 6 -6.129 8.127 2.833
39 2HB CYS 6 2HB CYS 6 -4.497 8.673 2.493
40 H GLU 7 H GLU 7 -5.007 8.600 6.869
41 HA GLU 7 HA GLU 7 -4.458 11.351 6.691
42 1HB GLU 7 1HB GLU 7 -5.481 10.004 8.555
43 2HB GLU 7 2HB GLU 7 -3.863 9.456 9.004
44 1HG GLU 7 1HG GLU 7 -3.255 11.827 9.491
45 2HG GLU 7 2HG GLU 7 -4.886 12.330 9.018
46 H CYS 8 H CYS 8 -2.321 8.644 6.731
47 HA CYS 8 HA CYS 8 0.174 9.669 7.439
48 1HB CYS 8 1HB CYS 8 -0.942 7.352 5.923
49 2HB CYS 8 2HB CYS 8 0.738 7.698 5.591
50 HA PRO 9 HA PRO 9 1.658 12.044 4.121
51 1HB PRO 9 1HB PRO 9 4.342 11.684 4.105
52 2HB PRO 9 2HB PRO 9 3.496 12.328 5.546
53 1HG PRO 9 1HG PRO 9 4.384 9.474 5.029
54 2HG PRO 9 2HG PRO 9 4.627 10.456 6.509
55 1HD PRO 9 1HD PRO 9 2.576 8.644 6.146
56 2HD PRO 9 2HD PRO 9 2.440 10.044 7.219
57 H ARG 10 H ARG 10 2.635 12.082 1.947
58 HA ARG 10 HA ARG 10 2.318 9.525 0.491
59 1HB ARG 10 1HB ARG 10 2.973 12.329 -0.543
60 2HB ARG 10 2HB ARG 10 2.579 10.911 -1.501
61 1HG ARG 10 1HG ARG 10 0.609 12.016 -1.563
62 2HG ARG 10 2HG ARG 10 0.287 10.894 -0.252
63 1HD ARG 10 1HD ARG 10 1.364 13.625 0.473
64 2HD ARG 10 2HD ARG 10 -0.249 13.558 -0.234
65 HE ARG 10 HE ARG 10 -0.114 11.648 1.870
66 1HH1 ARG 10 2HH2 ARG 10 -0.400 15.141 1.332
67 2HH1 ARG 10 1HH2 ARG 10 -1.242 15.441 2.810
68 1HH2 ARG 10 2HH1 ARG 10 -1.139 12.051 3.900
69 2HH2 ARG 10 1HH1 ARG 10 -1.725 13.624 4.274
70 H ALA 11 H ALA 11 4.390 9.411 2.317
71 HA ALA 11 HA ALA 11 6.928 9.833 1.223
72 1HB ALA 11 1HB ALA 11 7.636 8.403 3.134
73 2HB ALA 11 2HB ALA 11 6.512 9.670 3.654
74 3HB ALA 11 3HB ALA 11 5.935 7.999 3.451
75 H LEU 12 H LEU 12 7.991 8.619 -0.309
76 HA LEU 12 HA LEU 12 6.800 6.273 -1.460
77 1HB LEU 12 1HB LEU 12 9.229 8.052 -1.840
78 2HB LEU 12 2HB LEU 12 9.159 6.548 -2.694
79 HG LEU 12 HG LEU 12 8.427 8.514 -3.960
80 1HD1 LEU 12 1HD1 LEU 12 6.338 6.299 -3.714
81 2HD1 LEU 12 2HD1 LEU 12 6.589 7.355 -5.120
82 3HD1 LEU 12 3HD1 LEU 12 7.848 6.206 -4.648
83 1HD2 LEU 12 1HD2 LEU 12 7.089 9.714 -2.291
84 2HD2 LEU 12 2HD2 LEU 12 6.203 9.431 -3.793
85 3HD2 LEU 12 3HD2 LEU 12 5.849 8.439 -2.368
86 H HIS 13 H HIS 13 7.200 5.566 1.155
87 HA HIS 13 HA HIS 13 9.710 3.977 1.396
88 1HB HIS 13 1HB HIS 13 7.378 4.326 3.320
89 2HB HIS 13 2HB HIS 13 8.869 3.447 3.649
90 HD1 HIS 13 HD1 HIS 13 10.647 5.976 2.215
91 HD2 HIS 13 HD2 HIS 13 7.939 5.944 5.440
92 HE1 HIS 13 HE1 HIS 13 11.210 8.003 3.670
93 H ARG 14 H ARG 14 8.631 3.093 -0.734
94 HA ARG 14 HA ARG 14 6.232 1.836 -0.896
95 1HB ARG 14 1HB ARG 14 8.826 1.261 -2.345
96 2HB ARG 14 2HB ARG 14 7.308 0.448 -2.757
97 1HG ARG 14 1HG ARG 14 6.230 2.451 -3.402
98 2HG ARG 14 2HG ARG 14 7.537 3.474 -2.779
99 1HD ARG 14 1HD ARG 14 7.433 3.028 -5.338
100 2HD ARG 14 2HD ARG 14 8.995 2.911 -4.520
101 HE ARG 14 HE ARG 14 8.452 0.418 -4.328
102 1HH1 ARG 14 2HH2 ARG 14 7.185 2.196 -7.227
103 2HH1 ARG 14 1HH2 ARG 14 7.349 0.705 -8.177
104 1HH2 ARG 14 2HH1 ARG 14 8.930 -1.348 -6.013
105 2HH2 ARG 14 1HH1 ARG 14 8.246 -0.963 -7.548
106 H VAL 15 H VAL 15 5.271 -0.170 -0.805
107 HA VAL 15 HA VAL 15 6.840 -2.452 0.205
108 HB VAL 15 HB VAL 15 5.452 -2.878 2.069
109 1HG1 VAL 15 1HG1 VAL 15 5.864 -1.010 3.483
110 2HG1 VAL 15 2HG1 VAL 15 7.216 -1.106 2.331
111 3HG1 VAL 15 3HG1 VAL 15 5.926 0.093 2.101
112 1HG2 VAL 15 1HG2 VAL 15 3.230 -2.195 1.149
113 2HG2 VAL 15 2HG2 VAL 15 3.578 -1.584 2.735
114 3HG2 VAL 15 3HG2 VAL 15 3.707 -0.492 1.326
115 H CYS 16 H CYS 16 5.642 -4.521 0.096
116 HA CYS 16 HA CYS 16 3.557 -4.491 -2.000
117 1HB CYS 16 1HB CYS 16 5.641 -5.822 -2.158
118 2HB CYS 16 2HB CYS 16 5.115 -6.790 -0.837
119 H GLY 17 H GLY 17 1.452 -4.918 -1.613
120 1HA GLY 17 1HA GLY 17 0.731 -6.370 0.883
121 2HA GLY 17 2HA GLY 17 -0.396 -5.509 -0.172
122 H SER 18 H SER 18 -0.513 -8.194 0.521
123 HA SER 18 HA SER 18 0.502 -10.105 -0.504
124 1HB SER 18 1HB SER 18 -1.489 -11.474 -0.404
125 2HB SER 18 2HB SER 18 -1.480 -10.252 0.807
126 HG SER 18 HG SER 18 -3.163 -10.146 -1.562
127 H ASP 19 H ASP 19 -1.869 -8.932 -2.794
128 HA ASP 19 HA ASP 19 -1.166 -10.943 -4.654
129 1HB ASP 19 1HB ASP 19 -3.016 -8.532 -4.744
130 2HB ASP 19 2HB ASP 19 -2.971 -9.778 -5.992
131 H GLY 20 H GLY 20 1.163 -9.564 -4.188
132 1HA GLY 20 1HA GLY 20 2.980 -8.568 -5.308
133 2HA GLY 20 2HA GLY 20 2.048 -8.563 -6.808
134 H ASN 21 H ASN 21 0.340 -7.193 -4.266
135 HA ASN 21 HA ASN 21 -0.192 -4.951 -5.828
136 1HB ASN 21 1HB ASN 21 -1.653 -6.582 -4.327
137 2HB ASN 21 2HB ASN 21 -1.282 -5.464 -3.034
138 1HD2 ASN 21 1HD2 ASN 21 -2.407 -5.452 -6.486
139 2HD2 ASN 21 2HD2 ASN 21 -3.665 -4.264 -6.199
140 H THR 22 H THR 22 2.020 -3.960 -5.696
141 HA THR 22 HA THR 22 3.043 -3.088 -3.258
142 HB THR 22 HB THR 22 3.723 -2.015 -5.986
143 HG1 THR 22 HG1 THR 22 3.928 -4.329 -5.617
144 1HG2 THR 22 1HG2 THR 22 5.377 -2.035 -3.403
145 2HG2 THR 22 2HG2 THR 22 5.882 -1.388 -4.963
146 3HG2 THR 22 3HG2 THR 22 4.601 -0.592 -4.051
147 H TYR 23 H TYR 23 3.002 -1.063 -2.150
148 HA TYR 23 HA TYR 23 1.203 1.083 -3.104
149 1HB TYR 23 1HB TYR 23 1.467 -0.153 -0.323
150 2HB TYR 23 2HB TYR 23 0.741 1.403 -0.628
151 HD1 TYR 23 HD1 TYR 23 -1.526 1.622 -1.571
152 HD2 TYR 23 HD2 TYR 23 0.359 -2.231 -1.109
153 HE1 TYR 23 HE1 TYR 23 -3.675 0.504 -2.105
154 HE2 TYR 23 HE2 TYR 23 -1.767 -3.344 -1.657
155 HH TYR 23 HH TYR 23 -3.755 -2.885 -2.895
156 H SER 24 H SER 24 1.926 3.169 -2.450
157 HA SER 24 HA SER 24 4.574 3.710 -2.542
158 1HB SER 24 1HB SER 24 2.568 5.520 -1.174
159 2HB SER 24 2HB SER 24 3.971 5.968 -2.162
160 HG SER 24 HG SER 24 2.175 6.129 -3.459
161 H ASN 25 H ASN 25 2.824 2.869 0.421
162 HA ASN 25 HA ASN 25 5.188 2.592 1.916
163 1HB ASN 25 1HB ASN 25 4.499 4.201 3.801
164 2HB ASN 25 2HB ASN 25 5.193 4.933 2.387
165 1HD2 ASN 25 1HD2 ASN 25 4.112 6.683 1.634
166 2HD2 ASN 25 2HD2 ASN 25 2.566 7.224 2.313
167 HA PRO 26 HA PRO 26 2.439 -0.315 3.689
168 1HB PRO 26 1HB PRO 26 3.040 -0.549 6.339
169 2HB PRO 26 2HB PRO 26 4.062 -1.166 5.011
170 1HG PRO 26 1HG PRO 26 4.419 1.347 6.609
171 2HG PRO 26 2HG PRO 26 5.661 0.195 6.016
172 1HD PRO 26 1HD PRO 26 5.056 2.585 4.834
173 2HD PRO 26 2HD PRO 26 5.729 1.222 3.938
174 H CYS 27 H CYS 27 2.429 2.889 5.049
175 HA CYS 27 HA CYS 27 -0.058 2.653 6.448
176 1HB CYS 27 1HB CYS 27 1.885 4.554 6.438
177 2HB CYS 27 2HB CYS 27 0.793 5.262 5.269
178 H MET 28 H MET 28 0.807 3.574 3.076
179 HA MET 28 HA MET 28 -1.872 4.168 2.252
180 1HB MET 28 1HB MET 28 0.604 3.365 0.685
181 2HB MET 28 2HB MET 28 -0.933 3.696 -0.072
182 1HG MET 28 1HG MET 28 0.124 5.727 1.885
183 2HG MET 28 2HG MET 28 0.952 5.572 0.345
184 1HE MET 28 1HE MET 28 -1.473 4.937 -1.749
185 2HE MET 28 2HE MET 28 -1.585 6.617 -2.303
186 3HE MET 28 3HE MET 28 0.004 5.911 -1.912
187 H LEU 29 H LEU 29 -0.072 1.098 2.332
188 HA LEU 29 HA LEU 29 -2.118 -0.552 1.119
189 1HB LEU 29 1HB LEU 29 -0.022 -1.399 1.301
190 2HB LEU 29 2HB LEU 29 0.132 -1.079 3.057
191 HG LEU 29 HG LEU 29 -1.342 -3.193 1.732
192 1HD1 LEU 29 1HD1 LEU 29 0.516 -4.656 2.514
193 2HD1 LEU 29 2HD1 LEU 29 1.015 -3.428 1.349
194 3HD1 LEU 29 3HD1 LEU 29 1.339 -3.184 3.073
195 1HD2 LEU 29 1HD2 LEU 29 -1.218 -4.317 4.063
196 2HD2 LEU 29 2HD2 LEU 29 -0.728 -2.743 4.694
197 3HD2 LEU 29 3HD2 LEU 29 -2.343 -2.974 3.959
198 H THR 30 H THR 30 -1.233 -0.165 4.558
199 HA THR 30 HA THR 30 -3.586 -1.465 5.427
200 HB THR 30 HB THR 30 -1.412 -0.613 6.691
201 HG1 THR 30 HG1 THR 30 -2.478 -1.289 8.575
202 1HG2 THR 30 1HG2 THR 30 -3.554 1.247 7.710
203 2HG2 THR 30 2HG2 THR 30 -1.887 1.049 8.332
204 3HG2 THR 30 3HG2 THR 30 -2.158 1.711 6.708
205 H CYS 31 H CYS 31 -3.135 2.065 4.776
206 HA CYS 31 HA CYS 31 -5.492 3.003 5.469
207 1HB CYS 31 1HB CYS 31 -3.956 4.559 4.421
208 2HB CYS 31 2HB CYS 31 -3.810 3.562 3.011
209 H ALA 32 H ALA 32 -4.761 1.862 2.178
210 HA ALA 32 HA ALA 32 -7.233 1.636 0.987
211 1HB ALA 32 1HB ALA 32 -5.090 1.284 -0.103
212 2HB ALA 32 2HB ALA 32 -4.887 -0.263 0.754
213 3HB ALA 32 3HB ALA 32 -6.226 -0.077 -0.394
214 H LYS 33 H LYS 33 -5.615 -0.712 2.994
215 HA LYS 33 HA LYS 33 -7.347 -2.932 2.764
216 1HB LYS 33 1HB LYS 33 -5.055 -2.917 3.786
217 2HB LYS 33 2HB LYS 33 -5.747 -2.156 5.204
218 1HG LYS 33 1HG LYS 33 -7.248 -4.015 5.571
219 2HG LYS 33 2HG LYS 33 -6.667 -4.833 4.109
220 1HD LYS 33 1HD LYS 33 -4.518 -5.180 4.934
221 2HD LYS 33 2HD LYS 33 -4.680 -4.039 6.196
222 1HE LYS 33 1HE LYS 33 -6.397 -6.531 5.905
223 2HE LYS 33 2HE LYS 33 -4.915 -6.495 6.859
224 1HZ LYS 33 1HZ LYS 33 -6.055 -4.681 8.212
225 2HZ LYS 33 2HZ LYS 33 -7.405 -4.978 7.360
226 3HZ LYS 33 3HZ LYS 33 -6.787 -6.166 8.308
227 H HIS 34 H HIS 34 -7.229 -0.575 5.388
228 HA HIS 34 HA HIS 34 -9.775 -1.451 6.481
229 1HB HIS 34 1HB HIS 34 -7.703 0.692 7.053
230 2HB HIS 34 2HB HIS 34 -9.268 0.710 7.817
231 HD1 HIS 34 HD1 HIS 34 -9.713 -1.368 9.590
232 HD2 HIS 34 HD2 HIS 34 -6.076 -1.520 7.480
233 HE1 HIS 34 HE1 HIS 34 -8.402 -3.352 10.527
234 H GLU 35 H GLU 35 -8.769 0.849 4.159
235 HA GLU 35 HA GLU 35 -11.209 2.455 4.238
236 1HB GLU 35 1HB GLU 35 -8.957 3.116 3.235
237 2HB GLU 35 2HB GLU 35 -9.414 2.226 1.802
238 1HG GLU 35 1HG GLU 35 -10.978 4.520 3.049
239 2HG GLU 35 2HG GLU 35 -9.744 4.763 1.843
240 H GLY 36 H GLY 36 -10.176 -0.092 1.915
241 1HA GLY 36 1HA GLY 36 -12.923 -1.085 1.586
242 2HA GLY 36 2HA GLY 36 -12.272 -0.161 0.232
243 H ASN 37 H ASN 37 -9.910 -2.098 2.008
244 HA ASN 37 HA ASN 37 -10.122 -4.316 0.009
245 1HB ASN 37 1HB ASN 37 -8.121 -2.430 -0.296
246 2HB ASN 37 2HB ASN 37 -7.374 -3.387 0.867
247 1HD2 ASN 37 1HD2 ASN 37 -6.172 -3.190 -1.593
248 2HD2 ASN 37 2HD2 ASN 37 -6.278 -4.796 -2.287
249 HA PRO 38 HA PRO 38 -9.825 -5.172 4.664
250 1HB PRO 38 1HB PRO 38 -11.855 -7.038 4.965
251 2HB PRO 38 2HB PRO 38 -12.065 -5.265 5.100
252 1HG PRO 38 1HG PRO 38 -12.577 -7.027 2.689
253 2HG PRO 38 2HG PRO 38 -13.630 -5.748 3.368
254 1HD PRO 38 1HD PRO 38 -12.018 -5.267 1.234
255 2HD PRO 38 2HD PRO 38 -12.245 -4.026 2.508
256 H ASP 39 H ASP 39 -10.078 -7.237 1.928
257 HA ASP 39 HA ASP 39 -8.956 -9.694 2.562
258 1HB ASP 39 1HB ASP 39 -9.052 -7.839 0.136
259 2HB ASP 39 2HB ASP 39 -8.488 -9.490 0.045
260 H LEU 40 H LEU 40 -7.394 -6.578 2.019
261 HA LEU 40 HA LEU 40 -4.819 -7.585 1.053
262 1HB LEU 40 1HB LEU 40 -5.430 -5.423 0.313
263 2HB LEU 40 2HB LEU 40 -6.032 -4.961 1.904
264 HG LEU 40 HG LEU 40 -4.000 -4.626 2.789
265 1HD1 LEU 40 1HD1 LEU 40 -2.828 -6.123 0.801
266 2HD1 LEU 40 2HD1 LEU 40 -2.315 -4.489 0.410
267 3HD1 LEU 40 3HD1 LEU 40 -2.008 -5.172 2.050
268 1HD2 LEU 40 1HD2 LEU 40 -4.162 -3.140 0.125
269 2HD2 LEU 40 2HD2 LEU 40 -5.076 -2.721 1.554
270 3HD2 LEU 40 3HD2 LEU 40 -3.319 -2.552 1.556
271 H VAL 41 H VAL 41 -2.840 -7.450 2.212
272 HA VAL 41 HA VAL 41 -2.877 -7.164 5.103
273 HB VAL 41 HB VAL 41 -1.728 -9.349 5.352
274 1HG1 VAL 41 1HG1 VAL 41 -4.469 -9.775 4.144
275 2HG1 VAL 41 2HG1 VAL 41 -3.645 -10.749 5.369
276 3HG1 VAL 41 3HG1 VAL 41 -4.184 -9.099 5.774
277 1HG2 VAL 41 1HG2 VAL 41 -1.890 -11.086 3.646
278 2HG2 VAL 41 2HG2 VAL 41 -2.702 -9.971 2.537
279 3HG2 VAL 41 3HG2 VAL 41 -0.997 -9.710 3.007
280 H GLN 42 H GLN 42 -0.724 -6.932 5.929
281 HA GLN 42 HA GLN 42 1.355 -6.148 4.036
282 1HB GLN 42 1HB GLN 42 0.950 -5.117 6.374
283 2HB GLN 42 2HB GLN 42 1.618 -6.597 7.041
284 1HG GLN 42 1HG GLN 42 3.467 -5.130 6.916
285 2HG GLN 42 2HG GLN 42 3.680 -6.156 5.497
286 1HE2 GLN 42 1HE2 GLN 42 4.154 -4.947 3.560
287 2HE2 GLN 42 2HE2 GLN 42 3.561 -3.316 3.348
288 H VAL 43 H VAL 43 1.439 -8.151 2.811
289 HA VAL 43 HA VAL 43 2.091 -10.661 3.813
290 HB VAL 43 HB VAL 43 3.518 -10.827 1.603
291 1HG1 VAL 43 1HG1 VAL 43 1.399 -11.964 2.173
292 2HG1 VAL 43 2HG1 VAL 43 0.510 -10.535 1.603
293 3HG1 VAL 43 3HG1 VAL 43 1.540 -11.516 0.488
294 1HG2 VAL 43 1HG2 VAL 43 1.694 -8.430 1.068
295 2HG2 VAL 43 2HG2 VAL 43 3.462 -8.401 1.048
296 3HG2 VAL 43 3HG2 VAL 43 2.586 -9.346 -0.158
297 H HIS 44 H HIS 44 4.176 -7.862 2.949
298 HA HIS 44 HA HIS 44 6.084 -8.379 4.999
299 1HB HIS 44 1HB HIS 44 7.998 -8.700 3.521
300 2HB HIS 44 2HB HIS 44 6.882 -10.024 3.343
301 HD1 HIS 44 HD1 HIS 44 8.229 -6.991 1.392
302 HD2 HIS 44 HD2 HIS 44 5.813 -10.421 0.916
303 HE1 HIS 44 HE1 HIS 44 7.899 -7.324 -1.125
304 H GLU 45 H GLU 45 7.776 -6.528 4.821
305 HA GLU 45 HA GLU 45 6.592 -4.048 3.689
306 1HB GLU 45 1HB GLU 45 7.550 -4.255 6.072
307 2HB GLU 45 2HB GLU 45 9.148 -4.389 5.322
308 1HG GLU 45 1HG GLU 45 8.840 -2.152 4.289
309 2HG GLU 45 2HG GLU 45 7.177 -2.105 4.887
310 H GLY 46 H GLY 46 8.351 -2.726 2.389
311 1HA GLY 46 1HA GLY 46 9.807 -2.571 0.628
312 2HA GLY 46 2HA GLY 46 10.337 -4.242 0.883
313 HA PRO 47 HA PRO 47 6.858 -3.622 -2.351
314 1HB PRO 47 1HB PRO 47 7.932 -2.822 -4.675
315 2HB PRO 47 2HB PRO 47 7.759 -1.692 -3.304
316 1HG PRO 47 1HG PRO 47 10.253 -3.251 -4.071
317 2HG PRO 47 2HG PRO 47 10.102 -1.485 -3.786
318 1HD PRO 47 1HD PRO 47 10.890 -3.214 -1.812
319 2HD PRO 47 2HD PRO 47 9.878 -1.780 -1.462
320 H CYS 48 H CYS 48 6.053 -5.074 -3.960
321 HA CYS 48 HA CYS 48 7.783 -7.358 -4.707
322 1HB CYS 48 1HB CYS 48 4.903 -6.672 -5.394
323 2HB CYS 48 2HB CYS 48 5.783 -8.063 -6.008
324 H ASP 49 H ASP 49 6.274 -4.454 -6.296
325 HA ASP 49 HA ASP 49 7.379 -4.953 -8.812
326 1HB ASP 49 1HB ASP 49 5.658 -3.354 -8.744
327 2HB ASP 49 2HB ASP 49 6.408 -2.474 -7.412
328 H GLU 50 H GLU 50 9.450 -4.730 -9.549
329 HA GLU 50 HA GLU 50 11.157 -2.689 -8.629
330 1HB GLU 50 1HB GLU 50 11.841 -4.396 -6.969
331 2HB GLU 50 2HB GLU 50 12.023 -5.601 -8.244
332 1HG GLU 50 1HG GLU 50 14.191 -4.729 -7.482
333 2HG GLU 50 2HG GLU 50 13.925 -4.405 -9.187
334 H HIS 51 H HIS 51 12.703 -2.370 -10.293
335 HA HIS 51 HA HIS 51 12.537 -3.890 -12.788
336 1HB HIS 51 1HB HIS 51 11.780 -1.744 -14.031
337 2HB HIS 51 2HB HIS 51 10.583 -2.778 -13.267
338 HD1 HIS 51 HD1 HIS 51 9.086 -1.706 -11.225
339 HD2 HIS 51 HD2 HIS 51 12.196 0.719 -12.848
340 HE1 HIS 51 HE1 HIS 51 8.736 0.624 -10.380
341 H ASP 52 H ASP 52 13.536 -0.766 -11.206
342 HA ASP 52 HA ASP 52 16.142 -1.473 -11.083
343 1HB ASP 52 1HB ASP 52 17.363 -0.314 -12.635
344 2HB ASP 52 2HB ASP 52 16.047 -0.811 -13.673
345 H HIS 53 H HIS 53 17.391 0.436 -10.187
346 HA HIS 53 HA HIS 53 15.903 2.793 -9.393
347 1HB HIS 53 1HB HIS 53 16.460 2.522 -6.976
348 2HB HIS 53 2HB HIS 53 15.250 1.400 -7.569
349 HD1 HIS 53 HD1 HIS 53 15.656 -1.165 -6.955
350 HD2 HIS 53 HD2 HIS 53 19.057 1.359 -6.622
351 HE1 HIS 53 HE1 HIS 53 17.496 -2.535 -5.956
352 H ASP 54 H ASP 54 17.904 2.444 -11.297
353 HA ASP 54 HA ASP 54 20.586 2.529 -10.238
354 1HB ASP 54 1HB ASP 54 19.977 1.750 -12.507
355 2HB ASP 54 2HB ASP 54 19.490 3.389 -12.947
356 H PHE 55 H PHE 55 18.348 5.040 -11.345
357 HA PHE 55 HA PHE 55 19.987 7.179 -10.110
358 1HB PHE 55 2HB PHE 55 17.952 7.264 -12.362
359 2HB PHE 55 1HB PHE 55 18.305 8.671 -11.373
360 HD1 PHE 55 HD1 PHE 55 20.129 6.069 -13.440
361 HD2 PHE 55 HD2 PHE 55 20.048 10.124 -11.968
362 HE1 PHE 55 HE1 PHE 55 22.120 6.585 -14.775
363 HE2 PHE 55 HE2 PHE 55 22.046 10.655 -13.343
364 HZ PHE 55 HZ PHE 55 23.091 8.888 -14.754
Start of MODEL 5
1 1H PHE 1 1H PHE 1 -15.303 6.367 5.293
2 2H PHE 1 2H PHE 1 -15.033 5.400 6.602
3 3H PHE 1 3H PHE 1 -14.161 6.792 6.413
4 HA PHE 1 HA PHE 1 -12.708 5.105 5.787
5 1HB PHE 1 2HB PHE 1 -13.461 3.540 3.920
6 2HB PHE 1 1HB PHE 1 -13.940 3.188 5.555
7 HD1 PHE 1 HD1 PHE 1 -15.049 3.909 2.181
8 HD2 PHE 1 HD2 PHE 1 -16.452 3.772 6.258
9 HE1 PHE 1 HE1 PHE 1 -17.379 4.165 1.399
10 HE2 PHE 1 HE2 PHE 1 -18.787 4.047 5.464
11 HZ PHE 1 HZ PHE 1 -19.256 4.247 3.031
12 H GLN 2 H GLN 2 -11.617 6.897 5.051
13 HA GLN 2 HA GLN 2 -10.878 6.866 2.487
14 1HB GLN 2 1HB GLN 2 -13.263 8.291 2.430
15 2HB GLN 2 2HB GLN 2 -12.172 9.581 2.673
16 1HG GLN 2 1HG GLN 2 -11.203 7.727 0.556
17 2HG GLN 2 2HG GLN 2 -12.879 8.170 0.299
18 1HE2 GLN 2 1HE2 GLN 2 -11.907 9.073 -1.736
19 2HE2 GLN 2 2HE2 GLN 2 -11.267 10.715 -1.646
20 H GLY 3 H GLY 3 -11.502 9.671 4.601
21 1HA GLY 3 1HA GLY 3 -8.671 10.278 4.862
22 2HA GLY 3 2HA GLY 3 -10.052 11.225 5.440
23 H ASN 4 H ASN 4 -10.951 8.630 6.924
24 HA ASN 4 HA ASN 4 -9.473 8.934 9.416
25 1HB ASN 4 1HB ASN 4 -11.830 7.385 8.488
26 2HB ASN 4 2HB ASN 4 -10.780 6.463 9.542
27 1HD2 ASN 4 1HD2 ASN 4 -13.417 8.652 9.619
28 2HD2 ASN 4 2HD2 ASN 4 -13.178 9.071 11.303
29 HA PRO 5 HA PRO 5 -7.071 4.975 7.899
30 1HB PRO 5 1HB PRO 5 -7.475 4.110 5.350
31 2HB PRO 5 2HB PRO 5 -8.371 3.503 6.762
32 1HG PRO 5 1HG PRO 5 -9.216 5.384 4.608
33 2HG PRO 5 2HG PRO 5 -10.187 4.204 5.525
34 1HD PRO 5 1HD PRO 5 -9.979 6.981 5.993
35 2HD PRO 5 2HD PRO 5 -10.689 5.807 7.118
36 H CYS 6 H CYS 6 -7.586 7.204 4.885
37 HA CYS 6 HA CYS 6 -4.652 6.929 4.747
38 1HB CYS 6 1HB CYS 6 -6.699 6.944 2.757
39 2HB CYS 6 2HB CYS 6 -5.586 8.278 2.477
40 H GLU 7 H GLU 7 -3.946 8.136 6.293
41 HA GLU 7 HA GLU 7 -4.127 11.081 5.839
42 1HB GLU 7 1HB GLU 7 -4.206 11.320 8.294
43 2HB GLU 7 2HB GLU 7 -5.566 10.449 7.612
44 1HG GLU 7 1HG GLU 7 -5.216 8.680 8.937
45 2HG GLU 7 2HG GLU 7 -3.590 8.465 8.320
46 H CYS 8 H CYS 8 -1.964 8.679 5.649
47 HA CYS 8 HA CYS 8 0.262 9.713 7.178
48 1HB CYS 8 1HB CYS 8 -0.471 7.324 5.757
49 2HB CYS 8 2HB CYS 8 1.059 7.853 5.097
50 HA PRO 9 HA PRO 9 2.172 12.409 4.293
51 1HB PRO 9 1HB PRO 9 4.903 11.954 4.599
52 2HB PRO 9 2HB PRO 9 3.888 12.807 5.793
53 1HG PRO 9 1HG PRO 9 5.033 10.050 5.948
54 2HG PRO 9 2HG PRO 9 4.439 11.107 7.262
55 1HD PRO 9 1HD PRO 9 3.118 8.935 5.964
56 2HD PRO 9 2HD PRO 9 2.507 9.932 7.309
57 H ARG 10 H ARG 10 3.531 12.589 2.296
58 HA ARG 10 HA ARG 10 3.544 10.255 0.553
59 1HB ARG 10 1HB ARG 10 4.698 13.064 0.102
60 2HB ARG 10 2HB ARG 10 4.655 11.748 -1.063
61 1HG ARG 10 1HG ARG 10 2.876 12.867 -1.791
62 2HG ARG 10 2HG ARG 10 2.070 11.742 -0.725
63 1HD ARG 10 1HD ARG 10 1.211 13.431 0.533
64 2HD ARG 10 2HD ARG 10 2.784 14.234 0.688
65 HE ARG 10 HE ARG 10 1.815 14.587 -1.951
66 1HH1 ARG 10 2HH2 ARG 10 1.016 15.775 1.294
67 2HH1 ARG 10 1HH2 ARG 10 0.450 17.312 0.733
68 1HH2 ARG 10 2HH1 ARG 10 1.057 16.614 -2.683
69 2HH2 ARG 10 1HH1 ARG 10 0.463 17.779 -1.565
70 H ALA 11 H ALA 11 4.959 9.491 2.757
71 HA ALA 11 HA ALA 11 7.719 9.567 2.306
72 1HB ALA 11 1HB ALA 11 6.086 7.438 3.732
73 2HB ALA 11 2HB ALA 11 7.823 7.817 3.948
74 3HB ALA 11 3HB ALA 11 6.588 8.977 4.491
75 H LEU 12 H LEU 12 8.646 8.658 0.565
76 HA LEU 12 HA LEU 12 7.388 6.705 -1.199
77 1HB LEU 12 1HB LEU 12 9.984 8.258 -0.935
78 2HB LEU 12 2HB LEU 12 9.974 6.918 -2.027
79 HG LEU 12 HG LEU 12 9.547 9.203 -2.950
80 1HD1 LEU 12 1HD1 LEU 12 8.046 8.234 -4.714
81 2HD1 LEU 12 2HD1 LEU 12 9.327 7.120 -4.230
82 3HD1 LEU 12 3HD1 LEU 12 7.676 6.879 -3.623
83 1HD2 LEU 12 1HD2 LEU 12 7.251 9.968 -3.211
84 2HD2 LEU 12 2HD2 LEU 12 6.684 8.767 -2.029
85 3HD2 LEU 12 3HD2 LEU 12 7.792 10.077 -1.540
86 H HIS 13 H HIS 13 7.413 5.570 1.300
87 HA HIS 13 HA HIS 13 9.693 3.672 1.564
88 1HB HIS 13 1HB HIS 13 7.211 4.322 3.211
89 2HB HIS 13 2HB HIS 13 7.990 2.762 3.391
90 HD1 HIS 13 HD1 HIS 13 8.179 5.928 5.042
91 HD2 HIS 13 HD2 HIS 13 10.847 2.941 3.754
92 HE1 HIS 13 HE1 HIS 13 10.353 6.268 6.356
93 H ARG 14 H ARG 14 9.079 3.049 -0.865
94 HA ARG 14 HA ARG 14 6.517 1.945 -1.444
95 1HB ARG 14 1HB ARG 14 9.224 1.431 -2.763
96 2HB ARG 14 2HB ARG 14 7.732 0.692 -3.326
97 1HG ARG 14 1HG ARG 14 6.699 2.932 -3.621
98 2HG ARG 14 2HG ARG 14 8.230 3.682 -3.138
99 1HD ARG 14 1HD ARG 14 8.058 3.698 -5.560
100 2HD ARG 14 2HD ARG 14 9.353 2.590 -5.098
101 HE ARG 14 HE ARG 14 7.042 1.037 -5.301
102 1HH1 ARG 14 2HH2 ARG 14 9.061 2.959 -7.517
103 2HH1 ARG 14 1HH2 ARG 14 8.579 2.099 -8.934
104 1HH2 ARG 14 2HH1 ARG 14 6.451 -0.147 -7.243
105 2HH2 ARG 14 1HH1 ARG 14 7.120 0.294 -8.759
106 H VAL 15 H VAL 15 5.507 -0.074 -1.320
107 HA VAL 15 HA VAL 15 7.055 -2.317 -0.106
108 HB VAL 15 HB VAL 15 5.531 -2.685 1.592
109 1HG1 VAL 15 1HG1 VAL 15 7.006 -0.626 1.896
110 2HG1 VAL 15 2HG1 VAL 15 5.522 0.312 1.532
111 3HG1 VAL 15 3HG1 VAL 15 5.573 -0.746 2.934
112 1HG2 VAL 15 1HG2 VAL 15 3.309 -2.259 0.495
113 2HG2 VAL 15 2HG2 VAL 15 3.455 -1.537 2.070
114 3HG2 VAL 15 3HG2 VAL 15 3.622 -0.504 0.637
115 H CYS 16 H CYS 16 5.778 -4.387 -0.084
116 HA CYS 16 HA CYS 16 3.930 -4.541 -2.397
117 1HB CYS 16 1HB CYS 16 5.998 -5.791 -2.464
118 2HB CYS 16 2HB CYS 16 5.688 -6.533 -0.926
119 H GLY 17 H GLY 17 1.838 -5.290 -2.209
120 1HA GLY 17 1HA GLY 17 0.825 -6.232 0.416
121 2HA GLY 17 2HA GLY 17 -0.163 -5.778 -0.968
122 H SER 18 H SER 18 -0.435 -8.202 0.339
123 HA SER 18 HA SER 18 0.616 -10.477 -0.339
124 1HB SER 18 1HB SER 18 -1.170 -11.271 0.641
125 2HB SER 18 2HB SER 18 -1.848 -9.671 0.590
126 HG SER 18 HG SER 18 -2.905 -10.554 -1.621
127 H ASP 19 H ASP 19 -1.337 -8.850 -2.709
128 HA ASP 19 HA ASP 19 -1.195 -11.028 -4.606
129 1HB ASP 19 1HB ASP 19 -2.388 -8.262 -4.401
130 2HB ASP 19 2HB ASP 19 -2.587 -9.258 -5.854
131 H GLY 20 H GLY 20 1.351 -9.355 -3.730
132 1HA GLY 20 1HA GLY 20 3.315 -8.711 -5.000
133 2HA GLY 20 2HA GLY 20 2.374 -8.884 -6.480
134 H ASN 21 H ASN 21 0.360 -7.227 -4.527
135 HA ASN 21 HA ASN 21 0.327 -5.120 -6.333
136 1HB ASN 21 1HB ASN 21 -1.574 -6.172 -4.932
137 2HB ASN 21 2HB ASN 21 -1.135 -5.017 -3.673
138 1HD2 ASN 21 1HD2 ASN 21 -3.422 -5.433 -5.907
139 2HD2 ASN 21 2HD2 ASN 21 -3.550 -3.813 -6.568
140 H THR 22 H THR 22 2.338 -3.921 -6.296
141 HA THR 22 HA THR 22 3.520 -3.146 -3.909
142 HB THR 22 HB THR 22 3.869 -1.629 -6.482
143 HG1 THR 22 HG1 THR 22 4.253 -3.877 -6.737
144 1HG2 THR 22 1HG2 THR 22 6.155 -1.205 -5.545
145 2HG2 THR 22 2HG2 THR 22 4.922 -0.506 -4.484
146 3HG2 THR 22 3HG2 THR 22 5.695 -2.032 -4.059
147 H TYR 23 H TYR 23 3.354 -1.198 -2.668
148 HA TYR 23 HA TYR 23 1.420 0.910 -3.452
149 1HB TYR 23 1HB TYR 23 1.828 -0.497 -0.765
150 2HB TYR 23 2HB TYR 23 1.163 1.107 -0.862
151 HD1 TYR 23 HD1 TYR 23 -1.020 1.553 -1.881
152 HD2 TYR 23 HD2 TYR 23 0.460 -2.455 -1.347
153 HE1 TYR 23 HE1 TYR 23 -3.349 0.697 -1.935
154 HE2 TYR 23 HE2 TYR 23 -1.870 -3.328 -1.386
155 HH TYR 23 HH TYR 23 -4.600 -1.242 -2.310
156 H SER 24 H SER 24 1.978 2.963 -2.741
157 HA SER 24 HA SER 24 4.658 3.651 -2.942
158 1HB SER 24 1HB SER 24 3.962 5.926 -2.544
159 2HB SER 24 2HB SER 24 2.755 5.104 -3.541
160 HG SER 24 HG SER 24 1.487 5.953 -2.064
161 H ASN 25 H ASN 25 2.751 2.997 -0.045
162 HA ASN 25 HA ASN 25 5.021 2.798 1.671
163 1HB ASN 25 1HB ASN 25 4.232 4.450 3.353
164 2HB ASN 25 2HB ASN 25 4.941 5.099 1.891
165 1HD2 ASN 25 1HD2 ASN 25 4.067 7.098 1.939
166 2HD2 ASN 25 2HD2 ASN 25 2.344 7.458 2.032
167 HA PRO 26 HA PRO 26 2.299 -0.164 3.206
168 1HB PRO 26 1HB PRO 26 3.087 -0.551 5.840
169 2HB PRO 26 2HB PRO 26 4.034 -1.098 4.432
170 1HG PRO 26 1HG PRO 26 4.445 1.323 6.153
171 2HG PRO 26 2HG PRO 26 5.683 0.284 5.416
172 1HD PRO 26 1HD PRO 26 4.851 2.758 4.463
173 2HD PRO 26 2HD PRO 26 5.629 1.528 3.454
174 H CYS 27 H CYS 27 2.530 2.827 4.938
175 HA CYS 27 HA CYS 27 0.271 2.758 6.587
176 1HB CYS 27 1HB CYS 27 2.246 4.506 6.207
177 2HB CYS 27 2HB CYS 27 1.111 5.284 5.148
178 H MET 28 H MET 28 0.515 3.725 3.072
179 HA MET 28 HA MET 28 -2.312 4.154 2.856
180 1HB MET 28 1HB MET 28 -0.162 3.692 0.786
181 2HB MET 28 2HB MET 28 -1.857 3.626 0.387
182 1HG MET 28 1HG MET 28 -1.514 6.000 1.932
183 2HG MET 28 2HG MET 28 -0.167 5.956 0.815
184 1HE MET 28 1HE MET 28 -0.599 5.628 -1.917
185 2HE MET 28 2HE MET 28 -1.867 4.376 -1.729
186 3HE MET 28 3HE MET 28 -2.203 5.846 -2.675
187 H LEU 29 H LEU 29 -0.477 1.159 2.736
188 HA LEU 29 HA LEU 29 -2.500 -0.418 1.424
189 1HB LEU 29 1HB LEU 29 -0.398 -1.260 1.403
190 2HB LEU 29 2HB LEU 29 -0.106 -1.111 3.132
191 HG LEU 29 HG LEU 29 -1.872 -3.040 1.971
192 1HD1 LEU 29 1HD1 LEU 29 0.094 -4.707 2.250
193 2HD1 LEU 29 2HD1 LEU 29 0.042 -3.644 0.859
194 3HD1 LEU 29 3HD1 LEU 29 1.115 -3.249 2.225
195 1HD2 LEU 29 1HD2 LEU 29 -2.371 -3.265 4.197
196 2HD2 LEU 29 2HD2 LEU 29 -0.989 -4.336 4.149
197 3HD2 LEU 29 3HD2 LEU 29 -0.757 -2.674 4.723
198 H THR 30 H THR 30 -1.484 -0.492 4.845
199 HA THR 30 HA THR 30 -3.884 -1.616 5.768
200 HB THR 30 HB THR 30 -1.821 -1.115 7.131
201 HG1 THR 30 HG1 THR 30 -3.630 -2.136 8.039
202 1HG2 THR 30 1HG2 THR 30 -1.789 0.814 8.492
203 2HG2 THR 30 2HG2 THR 30 -1.886 1.294 6.789
204 3HG2 THR 30 3HG2 THR 30 -3.350 1.381 7.828
205 H CYS 31 H CYS 31 -3.458 1.914 4.937
206 HA CYS 31 HA CYS 31 -5.774 2.694 6.057
207 1HB CYS 31 1HB CYS 31 -5.155 4.700 5.039
208 2HB CYS 31 2HB CYS 31 -3.836 3.832 4.412
209 H ALA 32 H ALA 32 -5.170 1.781 2.686
210 HA ALA 32 HA ALA 32 -7.615 1.540 1.487
211 1HB ALA 32 1HB ALA 32 -5.399 1.093 0.427
212 2HB ALA 32 2HB ALA 32 -5.395 -0.479 1.229
213 3HB ALA 32 3HB ALA 32 -6.665 -0.119 0.055
214 H LYS 33 H LYS 33 -5.985 -0.811 3.495
215 HA LYS 33 HA LYS 33 -7.797 -2.948 3.227
216 1HB LYS 33 1HB LYS 33 -5.422 -2.857 4.285
217 2HB LYS 33 2HB LYS 33 -6.249 -2.468 5.800
218 1HG LYS 33 1HG LYS 33 -7.657 -4.511 5.550
219 2HG LYS 33 2HG LYS 33 -6.842 -4.877 4.006
220 1HD LYS 33 1HD LYS 33 -4.850 -5.434 4.936
221 2HD LYS 33 2HD LYS 33 -5.092 -4.545 6.374
222 1HE LYS 33 1HE LYS 33 -6.932 -6.830 5.646
223 2HE LYS 33 2HE LYS 33 -5.361 -7.174 6.361
224 1HZ LYS 33 1HZ LYS 33 -6.016 -5.717 8.242
225 2HZ LYS 33 2HZ LYS 33 -7.531 -5.574 7.596
226 3HZ LYS 33 3HZ LYS 33 -6.988 -7.040 8.114
227 H HIS 34 H HIS 34 -7.584 -0.702 5.970
228 HA HIS 34 HA HIS 34 -10.213 -1.324 7.035
229 1HB HIS 34 1HB HIS 34 -7.959 0.469 7.709
230 2HB HIS 34 2HB HIS 34 -9.516 1.210 7.989
231 HD1 HIS 34 HD1 HIS 34 -10.893 0.325 10.075
232 HD2 HIS 34 HD2 HIS 34 -7.445 -1.887 9.110
233 HE1 HIS 34 HE1 HIS 34 -10.466 -1.266 12.036
234 H GLU 35 H GLU 35 -9.254 0.702 4.362
235 HA GLU 35 HA GLU 35 -11.549 2.453 4.583
236 1HB GLU 35 1HB GLU 35 -9.274 2.906 3.446
237 2HB GLU 35 2HB GLU 35 -9.901 2.068 2.044
238 1HG GLU 35 1HG GLU 35 -11.526 4.265 3.259
239 2HG GLU 35 2HG GLU 35 -10.047 4.727 2.488
240 H GLY 36 H GLY 36 -10.634 -0.133 2.312
241 1HA GLY 36 1HA GLY 36 -13.302 -1.273 2.158
242 2HA GLY 36 2HA GLY 36 -12.901 -0.240 0.790
243 H ASN 37 H ASN 37 -10.502 -2.319 2.549
244 HA ASN 37 HA ASN 37 -10.500 -4.198 0.212
245 1HB ASN 37 1HB ASN 37 -8.643 -2.141 0.260
246 2HB ASN 37 2HB ASN 37 -7.809 -3.270 1.228
247 1HD2 ASN 37 1HD2 ASN 37 -6.408 -2.785 -0.892
248 2HD2 ASN 37 2HD2 ASN 37 -6.629 -4.048 -2.098
249 HA PRO 38 HA PRO 38 -10.169 -5.867 4.517
250 1HB PRO 38 1HB PRO 38 -12.227 -7.739 4.491
251 2HB PRO 38 2HB PRO 38 -12.385 -6.028 4.988
252 1HG PRO 38 1HG PRO 38 -13.155 -7.290 2.359
253 2HG PRO 38 2HG PRO 38 -13.985 -6.008 3.290
254 1HD PRO 38 1HD PRO 38 -12.357 -5.508 1.103
255 2HD PRO 38 2HD PRO 38 -12.609 -4.349 2.424
256 H ASP 39 H ASP 39 -10.051 -7.277 1.429
257 HA ASP 39 HA ASP 39 -9.017 -9.913 2.035
258 1HB ASP 39 1HB ASP 39 -10.114 -8.481 -0.134
259 2HB ASP 39 2HB ASP 39 -8.440 -8.635 -0.585
260 H LEU 40 H LEU 40 -7.634 -6.670 1.870
261 HA LEU 40 HA LEU 40 -5.033 -7.500 0.776
262 1HB LEU 40 1HB LEU 40 -5.597 -5.289 0.148
263 2HB LEU 40 2HB LEU 40 -6.441 -4.973 1.650
264 HG LEU 40 HG LEU 40 -4.464 -4.772 2.875
265 1HD1 LEU 40 1HD1 LEU 40 -2.678 -4.356 0.544
266 2HD1 LEU 40 2HD1 LEU 40 -2.387 -5.090 2.184
267 3HD1 LEU 40 3HD1 LEU 40 -3.097 -6.026 0.858
268 1HD2 LEU 40 1HD2 LEU 40 -3.859 -2.653 2.291
269 2HD2 LEU 40 2HD2 LEU 40 -4.209 -2.824 0.569
270 3HD2 LEU 40 3HD2 LEU 40 -5.517 -2.777 1.760
271 H VAL 41 H VAL 41 -3.124 -7.492 2.122
272 HA VAL 41 HA VAL 41 -3.552 -7.457 5.016
273 HB VAL 41 HB VAL 41 -2.507 -9.638 5.275
274 1HG1 VAL 41 1HG1 VAL 41 -4.938 -10.000 3.511
275 2HG1 VAL 41 2HG1 VAL 41 -4.351 -11.066 4.784
276 3HG1 VAL 41 3HG1 VAL 41 -5.020 -9.467 5.217
277 1HG2 VAL 41 1HG2 VAL 41 -2.911 -10.075 2.305
278 2HG2 VAL 41 2HG2 VAL 41 -1.319 -9.874 3.125
279 3HG2 VAL 41 3HG2 VAL 41 -2.326 -11.268 3.475
280 H GLN 42 H GLN 42 -1.646 -6.873 6.092
281 HA GLN 42 HA GLN 42 0.605 -5.892 4.514
282 1HB GLN 42 1HB GLN 42 -0.265 -4.775 6.624
283 2HB GLN 42 2HB GLN 42 0.352 -6.135 7.533
284 1HG GLN 42 1HG GLN 42 2.200 -4.746 7.683
285 2HG GLN 42 2HG GLN 42 2.638 -5.558 6.197
286 1HE2 GLN 42 1HE2 GLN 42 2.810 -4.237 4.231
287 2HE2 GLN 42 2HE2 GLN 42 2.309 -2.552 4.271
288 H VAL 43 H VAL 43 1.156 -7.818 3.445
289 HA VAL 43 HA VAL 43 2.014 -10.178 4.616
290 HB VAL 43 HB VAL 43 3.530 -10.230 2.455
291 1HG1 VAL 43 1HG1 VAL 43 0.549 -10.186 1.930
292 2HG1 VAL 43 2HG1 VAL 43 1.842 -11.133 1.143
293 3HG1 VAL 43 3HG1 VAL 43 1.341 -11.531 2.777
294 1HG2 VAL 43 1HG2 VAL 43 1.524 -8.028 1.719
295 2HG2 VAL 43 2HG2 VAL 43 3.295 -7.867 1.776
296 3HG2 VAL 43 3HG2 VAL 43 2.539 -8.932 0.587
297 H HIS 44 H HIS 44 3.824 -7.192 3.787
298 HA HIS 44 HA HIS 44 5.548 -7.013 5.971
299 1HB HIS 44 1HB HIS 44 6.696 -8.917 5.424
300 2HB HIS 44 2HB HIS 44 6.553 -8.681 3.680
301 HD1 HIS 44 HD1 HIS 44 8.576 -6.878 6.571
302 HD2 HIS 44 HD2 HIS 44 8.827 -8.233 2.580
303 HE1 HIS 44 HE1 HIS 44 10.924 -6.315 5.728
304 H GLU 45 H GLU 45 7.644 -5.676 4.762
305 HA GLU 45 HA GLU 45 6.484 -3.340 3.398
306 1HB GLU 45 1HB GLU 45 8.518 -3.747 5.473
307 2HB GLU 45 2HB GLU 45 9.295 -3.068 4.080
308 1HG GLU 45 1HG GLU 45 6.994 -1.497 4.315
309 2HG GLU 45 2HG GLU 45 7.391 -1.827 5.981
310 H GLY 46 H GLY 46 8.843 -2.616 1.957
311 1HA GLY 46 1HA GLY 46 10.393 -3.152 0.349
312 2HA GLY 46 2HA GLY 46 10.164 -4.849 0.738
313 HA PRO 47 HA PRO 47 7.313 -3.546 -2.886
314 1HB PRO 47 1HB PRO 47 8.562 -2.443 -5.028
315 2HB PRO 47 2HB PRO 47 7.994 -1.508 -3.617
316 1HG PRO 47 1HG PRO 47 10.810 -2.380 -4.241
317 2HG PRO 47 2HG PRO 47 10.224 -0.840 -3.548
318 1HD PRO 47 1HD PRO 47 11.232 -3.011 -2.062
319 2HD PRO 47 2HD PRO 47 10.220 -1.716 -1.400
320 H CYS 48 H CYS 48 6.642 -5.055 -4.144
321 HA CYS 48 HA CYS 48 8.410 -7.298 -4.782
322 1HB CYS 48 1HB CYS 48 5.475 -6.761 -5.197
323 2HB CYS 48 2HB CYS 48 6.275 -8.103 -6.007
324 H ASP 49 H ASP 49 6.764 -4.722 -6.798
325 HA ASP 49 HA ASP 49 7.781 -5.729 -9.198
326 1HB ASP 49 1HB ASP 49 5.696 -4.445 -8.846
327 2HB ASP 49 2HB ASP 49 6.680 -2.992 -8.537
328 H GLU 50 H GLU 50 9.800 -5.349 -9.993
329 HA GLU 50 HA GLU 50 11.320 -2.924 -9.317
330 1HB GLU 50 1HB GLU 50 11.792 -4.524 -7.433
331 2HB GLU 50 2HB GLU 50 12.549 -5.625 -8.569
332 1HG GLU 50 1HG GLU 50 14.456 -4.373 -8.684
333 2HG GLU 50 2HG GLU 50 13.580 -2.853 -8.804
334 H HIS 51 H HIS 51 11.086 -2.513 -11.523
335 HA HIS 51 HA HIS 51 13.306 -3.342 -13.107
336 1HB HIS 51 1HB HIS 51 10.777 -4.713 -13.685
337 2HB HIS 51 2HB HIS 51 11.287 -3.737 -15.040
338 HD1 HIS 51 HD1 HIS 51 13.032 -6.180 -12.688
339 HD2 HIS 51 HD2 HIS 51 12.982 -4.868 -16.683
340 HE1 HIS 51 HE1 HIS 51 14.620 -7.755 -14.024
341 H ASP 52 H ASP 52 13.729 -1.075 -12.746
342 HA ASP 52 HA ASP 52 12.126 1.013 -13.659
343 1HB ASP 52 1HB ASP 52 14.351 2.233 -13.645
344 2HB ASP 52 2HB ASP 52 13.756 1.596 -12.113
345 H HIS 53 H HIS 53 11.525 1.282 -15.670
346 HA HIS 53 HA HIS 53 13.213 0.403 -17.956
347 1HB HIS 53 1HB HIS 53 10.226 0.744 -17.552
348 2HB HIS 53 2HB HIS 53 10.926 0.762 -19.158
349 HD1 HIS 53 HD1 HIS 53 10.800 -1.707 -16.158
350 HD2 HIS 53 HD2 HIS 53 11.356 -1.475 -20.343
351 HE1 HIS 53 HE1 HIS 53 10.739 -4.116 -17.083
352 H ASP 54 H ASP 54 14.224 2.692 -16.717
353 HA ASP 54 HA ASP 54 14.080 4.365 -18.977
354 1HB ASP 54 1HB ASP 54 12.340 5.208 -16.957
355 2HB ASP 54 2HB ASP 54 13.795 6.103 -16.568
356 H PHE 55 H PHE 55 15.713 6.351 -18.361
357 HA PHE 55 HA PHE 55 18.091 5.186 -17.010
358 1HB PHE 55 2HB PHE 55 17.885 6.570 -19.598
359 2HB PHE 55 1HB PHE 55 18.996 7.363 -18.521
360 HD1 PHE 55 HD1 PHE 55 20.700 5.791 -17.231
361 HD2 PHE 55 HD2 PHE 55 18.708 4.780 -20.911
362 HE1 PHE 55 HE1 PHE 55 22.518 4.170 -17.771
363 HE2 PHE 55 HE2 PHE 55 20.516 3.166 -21.458
364 HZ PHE 55 HZ PHE 55 22.413 2.851 -19.879
Start of MODEL 6
1 1H PHE 1 1H PHE 1 -15.951 5.075 3.754
2 2H PHE 1 2H PHE 1 -15.250 6.587 3.837
3 3H PHE 1 3H PHE 1 -15.449 5.865 2.382
4 HA PHE 1 HA PHE 1 -13.575 4.953 4.454
5 1HB PHE 1 2HB PHE 1 -13.340 3.651 1.884
6 2HB PHE 1 1HB PHE 1 -13.392 3.061 3.531
7 HD1 PHE 1 HD1 PHE 1 -15.279 3.540 0.451
8 HD2 PHE 1 HD2 PHE 1 -15.509 2.422 4.619
9 HE1 PHE 1 HE1 PHE 1 -17.551 2.686 0.092
10 HE2 PHE 1 HE2 PHE 1 -17.793 1.589 4.267
11 HZ PHE 1 HZ PHE 1 -18.834 1.694 1.994
12 H GLN 2 H GLN 2 -12.270 6.869 4.458
13 HA GLN 2 HA GLN 2 -10.482 7.111 2.457
14 1HB GLN 2 1HB GLN 2 -12.726 8.382 1.454
15 2HB GLN 2 2HB GLN 2 -11.981 9.715 2.264
16 1HG GLN 2 1HG GLN 2 -10.177 9.736 0.772
17 2HG GLN 2 2HG GLN 2 -10.215 7.986 0.519
18 1HE2 GLN 2 1HE2 GLN 2 -11.624 7.022 -1.026
19 2HE2 GLN 2 2HE2 GLN 2 -12.434 8.054 -2.209
20 H GLY 3 H GLY 3 -12.279 9.206 4.576
21 1HA GLY 3 1HA GLY 3 -9.881 10.588 5.682
22 2HA GLY 3 2HA GLY 3 -11.572 11.063 5.889
23 H ASN 4 H ASN 4 -9.374 8.434 6.660
24 HA ASN 4 HA ASN 4 -9.719 8.295 9.430
25 1HB ASN 4 1HB ASN 4 -11.950 6.970 8.029
26 2HB ASN 4 2HB ASN 4 -10.978 5.779 8.881
27 1HD2 ASN 4 1HD2 ASN 4 -13.254 5.523 9.812
28 2HD2 ASN 4 2HD2 ASN 4 -13.474 6.466 11.277
29 HA PRO 5 HA PRO 5 -7.462 4.350 8.027
30 1HB PRO 5 1HB PRO 5 -7.532 3.776 5.362
31 2HB PRO 5 2HB PRO 5 -8.606 3.025 6.592
32 1HG PRO 5 1HG PRO 5 -9.124 4.996 4.430
33 2HG PRO 5 2HG PRO 5 -10.313 3.963 5.269
34 1HD PRO 5 1HD PRO 5 -9.726 6.643 5.636
35 2HD PRO 5 2HD PRO 5 -10.801 5.611 6.655
36 H CYS 6 H CYS 6 -7.466 6.529 5.125
37 HA CYS 6 HA CYS 6 -4.520 6.566 5.026
38 1HB CYS 6 1HB CYS 6 -6.685 7.710 3.272
39 2HB CYS 6 2HB CYS 6 -5.070 8.407 3.245
40 H GLU 7 H GLU 7 -3.345 8.052 5.794
41 HA GLU 7 HA GLU 7 -3.780 10.776 6.269
42 1HB GLU 7 1HB GLU 7 -5.103 9.068 8.241
43 2HB GLU 7 2HB GLU 7 -3.880 10.048 9.027
44 1HG GLU 7 1HG GLU 7 -4.814 12.073 8.386
45 2HG GLU 7 2HG GLU 7 -5.688 11.395 7.024
46 H CYS 8 H CYS 8 -1.696 9.245 5.209
47 HA CYS 8 HA CYS 8 0.398 9.703 7.270
48 1HB CYS 8 1HB CYS 8 -0.224 7.299 5.819
49 2HB CYS 8 2HB CYS 8 1.386 7.870 5.354
50 HA PRO 9 HA PRO 9 2.312 12.418 4.551
51 1HB PRO 9 1HB PRO 9 5.030 11.825 4.808
52 2HB PRO 9 2HB PRO 9 4.030 12.750 5.976
53 1HG PRO 9 1HG PRO 9 5.066 9.971 6.219
54 2HG PRO 9 2HG PRO 9 4.542 11.118 7.488
55 1HD PRO 9 1HD PRO 9 3.128 8.961 6.308
56 2HD PRO 9 2HD PRO 9 2.524 10.116 7.538
57 H ARG 10 H ARG 10 3.990 12.504 2.673
58 HA ARG 10 HA ARG 10 3.502 10.349 0.697
59 1HB ARG 10 1HB ARG 10 4.652 13.151 0.691
60 2HB ARG 10 2HB ARG 10 4.939 12.099 -0.695
61 1HG ARG 10 1HG ARG 10 2.115 12.672 0.301
62 2HG ARG 10 2HG ARG 10 2.994 13.684 -0.855
63 1HD ARG 10 1HD ARG 10 3.442 11.209 -1.966
64 2HD ARG 10 2HD ARG 10 1.866 10.925 -1.200
65 HE ARG 10 HE ARG 10 1.938 13.398 -2.640
66 1HH1 ARG 10 2HH2 ARG 10 1.825 9.923 -3.251
67 2HH1 ARG 10 1HH2 ARG 10 1.041 10.027 -4.782
68 1HH2 ARG 10 2HH1 ARG 10 0.899 13.607 -4.687
69 2HH2 ARG 10 1HH1 ARG 10 0.501 12.215 -5.624
70 H ALA 11 H ALA 11 4.883 9.378 2.857
71 HA ALA 11 HA ALA 11 7.644 9.314 2.404
72 1HB ALA 11 1HB ALA 11 6.987 8.771 4.573
73 2HB ALA 11 2HB ALA 11 5.661 7.715 4.027
74 3HB ALA 11 3HB ALA 11 7.332 7.180 3.894
75 H LEU 12 H LEU 12 8.664 8.363 0.750
76 HA LEU 12 HA LEU 12 7.298 6.557 -1.100
77 1HB LEU 12 1HB LEU 12 9.904 8.029 -0.959
78 2HB LEU 12 2HB LEU 12 9.830 6.678 -2.003
79 HG LEU 12 HG LEU 12 9.327 9.072 -2.808
80 1HD1 LEU 12 1HD1 LEU 12 8.584 8.221 -4.822
81 2HD1 LEU 12 2HD1 LEU 12 9.064 6.689 -4.080
82 3HD1 LEU 12 3HD1 LEU 12 7.366 7.176 -4.085
83 1HD2 LEU 12 1HD2 LEU 12 6.438 8.320 -2.299
84 2HD2 LEU 12 2HD2 LEU 12 7.382 9.429 -1.294
85 3HD2 LEU 12 3HD2 LEU 12 7.076 9.817 -2.988
86 H HIS 13 H HIS 13 6.994 5.188 0.860
87 HA HIS 13 HA HIS 13 9.290 3.326 1.425
88 1HB HIS 13 1HB HIS 13 6.691 3.849 2.883
89 2HB HIS 13 2HB HIS 13 7.736 2.443 3.202
90 HD1 HIS 13 HD1 HIS 13 9.037 5.953 2.584
91 HD2 HIS 13 HD2 HIS 13 8.601 3.014 5.535
92 HE1 HIS 13 HE1 HIS 13 10.299 6.841 4.659
93 H ARG 14 H ARG 14 8.706 3.095 -1.036
94 HA ARG 14 HA ARG 14 6.448 1.719 -1.926
95 1HB ARG 14 1HB ARG 14 9.320 1.461 -2.784
96 2HB ARG 14 2HB ARG 14 8.004 0.728 -3.683
97 1HG ARG 14 1HG ARG 14 8.167 3.713 -3.094
98 2HG ARG 14 2HG ARG 14 8.813 2.970 -4.540
99 1HD ARG 14 1HD ARG 14 5.912 2.779 -3.658
100 2HD ARG 14 2HD ARG 14 6.489 4.008 -4.761
101 HE ARG 14 HE ARG 14 5.800 1.264 -5.301
102 1HH1 ARG 14 2HH2 ARG 14 8.054 3.704 -6.326
103 2HH1 ARG 14 1HH2 ARG 14 8.393 3.040 -7.889
104 1HH2 ARG 14 2HH1 ARG 14 6.060 0.333 -7.492
105 2HH2 ARG 14 1HH1 ARG 14 7.202 1.029 -8.533
106 H VAL 15 H VAL 15 5.547 0.170 -0.692
107 HA VAL 15 HA VAL 15 7.178 -2.056 0.347
108 HB VAL 15 HB VAL 15 5.444 -2.656 1.734
109 1HG1 VAL 15 1HG1 VAL 15 6.265 -1.310 3.246
110 2HG1 VAL 15 2HG1 VAL 15 7.164 -0.502 1.974
111 3HG1 VAL 15 3HG1 VAL 15 5.606 0.126 2.461
112 1HG2 VAL 15 1HG2 VAL 15 3.873 -0.792 0.120
113 2HG2 VAL 15 2HG2 VAL 15 3.303 -2.070 1.208
114 3HG2 VAL 15 3HG2 VAL 15 3.637 -0.452 1.796
115 H CYS 16 H CYS 16 5.689 -4.242 0.433
116 HA CYS 16 HA CYS 16 4.516 -4.619 -2.234
117 1HB CYS 16 1HB CYS 16 6.416 -5.772 -2.327
118 2HB CYS 16 2HB CYS 16 6.500 -6.266 -0.705
119 H GLY 17 H GLY 17 2.488 -5.366 -2.293
120 1HA GLY 17 1HA GLY 17 1.124 -5.938 0.251
121 2HA GLY 17 2HA GLY 17 0.401 -5.800 -1.335
122 H SER 18 H SER 18 -0.171 -7.891 0.376
123 HA SER 18 HA SER 18 0.936 -10.291 -0.138
124 1HB SER 18 1HB SER 18 -0.869 -11.105 0.876
125 2HB SER 18 2HB SER 18 -1.376 -9.412 1.019
126 HG SER 18 HG SER 18 -2.975 -9.779 -0.398
127 H ASP 19 H ASP 19 -0.916 -8.581 -2.434
128 HA ASP 19 HA ASP 19 -0.996 -10.703 -4.469
129 1HB ASP 19 1HB ASP 19 -1.892 -7.840 -4.182
130 2HB ASP 19 2HB ASP 19 -1.691 -8.483 -5.809
131 H GLY 20 H GLY 20 1.623 -8.972 -3.238
132 1HA GLY 20 1HA GLY 20 3.707 -8.615 -4.035
133 2HA GLY 20 2HA GLY 20 3.302 -9.196 -5.633
134 H ASN 21 H ASN 21 0.904 -7.002 -4.794
135 HA ASN 21 HA ASN 21 1.823 -5.169 -6.685
136 1HB ASN 21 1HB ASN 21 -0.700 -5.765 -5.538
137 2HB ASN 21 2HB ASN 21 -0.366 -4.110 -5.094
138 1HD2 ASN 21 1HD2 ASN 21 -1.881 -5.868 -7.452
139 2HD2 ASN 21 2HD2 ASN 21 -1.628 -4.765 -8.794
140 H THR 22 H THR 22 3.302 -3.607 -6.339
141 HA THR 22 HA THR 22 4.108 -3.087 -3.728
142 HB THR 22 HB THR 22 4.746 -1.514 -6.236
143 HG1 THR 22 HG1 THR 22 5.492 -3.466 -6.631
144 1HG2 THR 22 1HG2 THR 22 6.650 -1.836 -3.891
145 2HG2 THR 22 2HG2 THR 22 6.724 -0.676 -5.208
146 3HG2 THR 22 3HG2 THR 22 5.575 -0.475 -3.869
147 H TYR 23 H TYR 23 3.922 -1.033 -2.548
148 HA TYR 23 HA TYR 23 1.537 0.651 -3.231
149 1HB TYR 23 1HB TYR 23 2.080 -1.026 -0.856
150 2HB TYR 23 2HB TYR 23 1.688 0.653 -0.468
151 HD1 TYR 23 HD1 TYR 23 0.493 -2.564 -1.292
152 HD2 TYR 23 HD2 TYR 23 -0.409 1.634 -1.695
153 HE1 TYR 23 HE1 TYR 23 -1.859 -3.157 -1.492
154 HE2 TYR 23 HE2 TYR 23 -2.805 1.069 -2.010
155 HH TYR 23 HH TYR 23 -4.023 -2.267 -1.753
156 H SER 24 H SER 24 2.100 2.808 -3.162
157 HA SER 24 HA SER 24 4.527 4.099 -3.019
158 1HB SER 24 1HB SER 24 1.726 4.899 -2.373
159 2HB SER 24 2HB SER 24 3.001 5.934 -1.734
160 HG SER 24 HG SER 24 3.315 5.183 -4.378
161 H ASN 25 H ASN 25 2.672 3.028 -0.205
162 HA ASN 25 HA ASN 25 4.905 3.017 1.568
163 1HB ASN 25 1HB ASN 25 3.594 4.537 3.222
164 2HB ASN 25 2HB ASN 25 4.809 5.100 2.095
165 1HD2 ASN 25 1HD2 ASN 25 3.834 7.346 2.193
166 2HD2 ASN 25 2HD2 ASN 25 2.285 7.553 1.440
167 HA PRO 26 HA PRO 26 2.391 -0.070 3.455
168 1HB PRO 26 1HB PRO 26 3.392 -0.067 6.028
169 2HB PRO 26 2HB PRO 26 4.213 -0.797 4.611
170 1HG PRO 26 1HG PRO 26 4.905 1.702 6.038
171 2HG PRO 26 2HG PRO 26 5.911 0.644 5.014
172 1HD PRO 26 1HD PRO 26 4.709 3.110 4.326
173 2HD PRO 26 2HD PRO 26 5.597 1.983 3.275
174 H CYS 27 H CYS 27 2.603 3.147 4.796
175 HA CYS 27 HA CYS 27 0.399 2.934 6.611
176 1HB CYS 27 1HB CYS 27 2.292 4.851 6.098
177 2HB CYS 27 2HB CYS 27 0.929 5.515 5.227
178 H MET 28 H MET 28 0.622 3.521 3.085
179 HA MET 28 HA MET 28 -2.166 4.288 2.742
180 1HB MET 28 1HB MET 28 0.111 3.522 0.918
181 2HB MET 28 2HB MET 28 -1.542 3.391 0.344
182 1HG MET 28 1HG MET 28 -2.038 5.713 1.018
183 2HG MET 28 2HG MET 28 -0.390 5.924 1.555
184 1HE MET 28 1HE MET 28 -2.479 4.567 -1.159
185 2HE MET 28 2HE MET 28 -2.265 5.693 -2.509
186 3HE MET 28 3HE MET 28 -1.207 4.257 -2.361
187 H LEU 29 H LEU 29 -0.273 1.240 2.364
188 HA LEU 29 HA LEU 29 -2.269 -0.373 1.276
189 1HB LEU 29 1HB LEU 29 -0.150 -1.196 1.421
190 2HB LEU 29 2HB LEU 29 -0.032 -1.012 3.200
191 HG LEU 29 HG LEU 29 -1.904 -2.873 2.097
192 1HD1 LEU 29 1HD1 LEU 29 -0.025 -4.654 1.938
193 2HD1 LEU 29 2HD1 LEU 29 -0.218 -3.477 0.663
194 3HD1 LEU 29 3HD1 LEU 29 1.073 -3.270 1.857
195 1HD2 LEU 29 1HD2 LEU 29 -1.051 -4.357 3.983
196 2HD2 LEU 29 2HD2 LEU 29 -0.258 -2.908 4.614
197 3HD2 LEU 29 3HD2 LEU 29 -2.020 -2.995 4.437
198 H THR 30 H THR 30 -1.484 -0.379 4.743
199 HA THR 30 HA THR 30 -3.763 -1.709 5.653
200 HB THR 30 HB THR 30 -1.817 -1.018 7.077
201 HG1 THR 30 HG1 THR 30 -3.143 -0.727 8.959
202 1HG2 THR 30 1HG2 THR 30 -3.336 1.597 7.470
203 2HG2 THR 30 2HG2 THR 30 -1.768 1.104 8.161
204 3HG2 THR 30 3HG2 THR 30 -1.934 1.384 6.419
205 H CYS 31 H CYS 31 -3.447 1.852 5.107
206 HA CYS 31 HA CYS 31 -5.837 2.687 5.956
207 1HB CYS 31 1HB CYS 31 -4.683 4.519 5.152
208 2HB CYS 31 2HB CYS 31 -3.999 3.678 3.766
209 H ALA 32 H ALA 32 -5.086 1.916 2.616
210 HA ALA 32 HA ALA 32 -7.497 1.816 1.386
211 1HB ALA 32 1HB ALA 32 -5.449 -0.285 0.722
212 2HB ALA 32 2HB ALA 32 -6.607 0.584 -0.297
213 3HB ALA 32 3HB ALA 32 -5.189 1.440 0.366
214 H LYS 33 H LYS 33 -5.912 -0.655 3.093
215 HA LYS 33 HA LYS 33 -7.804 -2.850 2.856
216 1HB LYS 33 1HB LYS 33 -5.409 -2.659 4.154
217 2HB LYS 33 2HB LYS 33 -6.515 -2.529 5.520
218 1HG LYS 33 1HG LYS 33 -7.733 -4.517 4.710
219 2HG LYS 33 2HG LYS 33 -6.508 -4.716 3.449
220 1HD LYS 33 1HD LYS 33 -4.868 -5.416 4.846
221 2HD LYS 33 2HD LYS 33 -5.301 -4.378 6.114
222 1HE LYS 33 1HE LYS 33 -7.393 -6.377 5.381
223 2HE LYS 33 2HE LYS 33 -5.898 -7.125 5.887
224 1HZ LYS 33 1HZ LYS 33 -6.729 -4.992 7.630
225 2HZ LYS 33 2HZ LYS 33 -7.844 -6.206 7.576
226 3HZ LYS 33 3HZ LYS 33 -6.285 -6.535 8.021
227 H HIS 34 H HIS 34 -7.601 -0.637 5.655
228 HA HIS 34 HA HIS 34 -10.245 -1.384 6.622
229 1HB HIS 34 1HB HIS 34 -8.007 0.360 7.453
230 2HB HIS 34 2HB HIS 34 -9.544 1.175 7.657
231 HD1 HIS 34 HD1 HIS 34 -7.825 0.400 10.170
232 HD2 HIS 34 HD2 HIS 34 -11.042 -1.782 8.545
233 HE1 HIS 34 HE1 HIS 34 -8.758 -1.074 12.053
234 H GLU 35 H GLU 35 -9.161 0.743 4.141
235 HA GLU 35 HA GLU 35 -11.504 2.402 4.114
236 1HB GLU 35 1HB GLU 35 -9.073 2.795 3.165
237 2HB GLU 35 2HB GLU 35 -9.678 2.040 1.736
238 1HG GLU 35 1HG GLU 35 -11.345 4.209 2.783
239 2HG GLU 35 2HG GLU 35 -9.759 4.740 2.375
240 H GLY 36 H GLY 36 -10.471 0.166 1.589
241 1HA GLY 36 1HA GLY 36 -13.065 -1.205 1.383
242 2HA GLY 36 2HA GLY 36 -12.645 -0.144 0.044
243 H ASN 37 H ASN 37 -10.560 -2.253 2.149
244 HA ASN 37 HA ASN 37 -10.276 -4.135 -0.138
245 1HB ASN 37 1HB ASN 37 -8.432 -2.048 -0.018
246 2HB ASN 37 2HB ASN 37 -7.635 -3.259 0.892
247 1HD2 ASN 37 1HD2 ASN 37 -6.078 -3.047 -0.873
248 2HD2 ASN 37 2HD2 ASN 37 -6.366 -4.040 -2.311
249 HA PRO 38 HA PRO 38 -10.237 -5.918 4.174
250 1HB PRO 38 1HB PRO 38 -12.287 -7.738 3.868
251 2HB PRO 38 2HB PRO 38 -12.442 -6.085 4.508
252 1HG PRO 38 1HG PRO 38 -13.275 -7.115 1.840
253 2HG PRO 38 2HG PRO 38 -13.861 -5.708 2.752
254 1HD PRO 38 1HD PRO 38 -11.966 -5.766 0.613
255 2HD PRO 38 2HD PRO 38 -12.502 -4.352 1.550
256 H ASP 39 H ASP 39 -9.741 -7.029 0.982
257 HA ASP 39 HA ASP 39 -8.837 -9.784 1.574
258 1HB ASP 39 1HB ASP 39 -9.848 -8.398 -0.630
259 2HB ASP 39 2HB ASP 39 -8.140 -8.511 -0.990
260 H LEU 40 H LEU 40 -7.482 -6.563 1.439
261 HA LEU 40 HA LEU 40 -4.768 -7.419 0.547
262 1HB LEU 40 1HB LEU 40 -5.177 -5.179 -0.142
263 2HB LEU 40 2HB LEU 40 -6.228 -4.889 1.255
264 HG LEU 40 HG LEU 40 -4.346 -4.730 2.695
265 1HD1 LEU 40 1HD1 LEU 40 -2.866 -5.933 0.761
266 2HD1 LEU 40 2HD1 LEU 40 -2.405 -4.237 0.546
267 3HD1 LEU 40 3HD1 LEU 40 -2.258 -5.032 2.146
268 1HD2 LEU 40 1HD2 LEU 40 -3.818 -2.575 0.717
269 2HD2 LEU 40 2HD2 LEU 40 -5.402 -2.732 1.501
270 3HD2 LEU 40 3HD2 LEU 40 -3.954 -2.683 2.480
271 H VAL 41 H VAL 41 -2.997 -7.374 2.099
272 HA VAL 41 HA VAL 41 -3.635 -7.258 4.901
273 HB VAL 41 HB VAL 41 -2.751 -9.438 5.350
274 1HG1 VAL 41 1HG1 VAL 41 -4.907 -9.825 3.246
275 2HG1 VAL 41 2HG1 VAL 41 -4.490 -10.930 4.549
276 3HG1 VAL 41 3HG1 VAL 41 -5.205 -9.352 4.940
277 1HG2 VAL 41 1HG2 VAL 41 -2.814 -10.175 2.418
278 2HG2 VAL 41 2HG2 VAL 41 -1.314 -9.706 3.286
279 3HG2 VAL 41 3HG2 VAL 41 -2.233 -11.136 3.766
280 H GLN 42 H GLN 42 -1.730 -6.708 6.064
281 HA GLN 42 HA GLN 42 0.594 -5.677 4.577
282 1HB GLN 42 1HB GLN 42 -0.360 -4.545 6.622
283 2HB GLN 42 2HB GLN 42 0.107 -5.956 7.560
284 1HG GLN 42 1HG GLN 42 2.004 -4.701 7.905
285 2HG GLN 42 2HG GLN 42 2.525 -5.457 6.407
286 1HE2 GLN 42 1HE2 GLN 42 3.000 -4.039 4.565
287 2HE2 GLN 42 2HE2 GLN 42 2.607 -2.336 4.701
288 H VAL 43 H VAL 43 1.057 -7.668 3.518
289 HA VAL 43 HA VAL 43 1.875 -9.983 4.803
290 HB VAL 43 HB VAL 43 3.514 -10.120 2.718
291 1HG1 VAL 43 1HG1 VAL 43 1.268 -11.259 3.234
292 2HG1 VAL 43 2HG1 VAL 43 0.557 -9.973 2.248
293 3HG1 VAL 43 3HG1 VAL 43 1.716 -11.126 1.553
294 1HG2 VAL 43 1HG2 VAL 43 3.200 -7.598 2.177
295 2HG2 VAL 43 2HG2 VAL 43 2.889 -8.725 0.856
296 3HG2 VAL 43 3HG2 VAL 43 1.533 -7.995 1.764
297 H HIS 44 H HIS 44 3.723 -7.056 3.940
298 HA HIS 44 HA HIS 44 5.341 -6.787 6.139
299 1HB HIS 44 1HB HIS 44 7.573 -7.592 4.986
300 2HB HIS 44 2HB HIS 44 6.590 -8.665 5.944
301 HD1 HIS 44 HD1 HIS 44 6.199 -10.900 4.944
302 HD2 HIS 44 HD2 HIS 44 6.438 -7.845 2.083
303 HE1 HIS 44 HE1 HIS 44 5.969 -12.030 2.652
304 H GLU 45 H GLU 45 7.423 -5.547 5.392
305 HA GLU 45 HA GLU 45 6.642 -3.322 3.659
306 1HB GLU 45 1HB GLU 45 8.376 -3.823 6.006
307 2HB GLU 45 2HB GLU 45 9.262 -3.004 4.776
308 1HG GLU 45 1HG GLU 45 6.546 -1.844 5.303
309 2HG GLU 45 2HG GLU 45 7.615 -1.829 6.678
310 H GLY 46 H GLY 46 8.877 -2.468 2.637
311 1HA GLY 46 1HA GLY 46 10.578 -2.747 1.111
312 2HA GLY 46 2HA GLY 46 10.480 -4.483 1.328
313 HA PRO 47 HA PRO 47 7.726 -3.074 -2.310
314 1HB PRO 47 1HB PRO 47 9.301 -2.307 -4.423
315 2HB PRO 47 2HB PRO 47 8.559 -1.250 -3.173
316 1HG PRO 47 1HG PRO 47 11.446 -1.960 -3.428
317 2HG PRO 47 2HG PRO 47 10.645 -0.537 -2.709
318 1HD PRO 47 1HD PRO 47 11.608 -2.850 -1.368
319 2HD PRO 47 2HD PRO 47 10.662 -1.506 -0.661
320 H CYS 48 H CYS 48 7.078 -4.487 -3.880
321 HA CYS 48 HA CYS 48 8.682 -6.981 -4.122
322 1HB CYS 48 1HB CYS 48 5.823 -6.298 -4.471
323 2HB CYS 48 2HB CYS 48 6.430 -7.475 -5.609
324 H ASP 49 H ASP 49 6.616 -6.015 -6.786
325 HA ASP 49 HA ASP 49 8.450 -4.689 -8.320
326 1HB ASP 49 1HB ASP 49 9.771 -6.737 -8.280
327 2HB ASP 49 2HB ASP 49 8.346 -7.727 -8.571
328 H GLU 50 H GLU 50 7.354 -4.062 -10.214
329 HA GLU 50 HA GLU 50 4.485 -4.793 -10.496
330 1HB GLU 50 1HB GLU 50 6.153 -2.393 -11.039
331 2HB GLU 50 2HB GLU 50 5.058 -2.770 -12.347
332 1HG GLU 50 1HG GLU 50 3.235 -2.108 -11.220
333 2HG GLU 50 2HG GLU 50 3.670 -2.971 -9.767
334 H HIS 51 H HIS 51 4.024 -4.461 -13.067
335 HA HIS 51 HA HIS 51 5.180 -6.899 -14.286
336 1HB HIS 51 1HB HIS 51 2.561 -5.616 -14.293
337 2HB HIS 51 2HB HIS 51 3.116 -5.805 -15.944
338 HD1 HIS 51 HD1 HIS 51 2.641 -7.983 -12.813
339 HD2 HIS 51 HD2 HIS 51 3.176 -8.158 -16.978
340 HE1 HIS 51 HE1 HIS 51 2.139 -10.409 -13.507
341 H ASP 52 H ASP 52 7.237 -5.155 -14.144
342 HA ASP 52 HA ASP 52 7.917 -4.801 -16.807
343 1HB ASP 52 1HB ASP 52 6.333 -2.614 -16.090
344 2HB ASP 52 2HB ASP 52 7.918 -2.047 -15.593
345 H HIS 53 H HIS 53 10.183 -4.003 -16.987
346 HA HIS 53 HA HIS 53 11.626 -3.672 -14.429
347 1HB HIS 53 1HB HIS 53 13.285 -5.330 -14.914
348 2HB HIS 53 2HB HIS 53 11.709 -6.070 -14.781
349 HD1 HIS 53 HD1 HIS 53 10.571 -6.200 -17.595
350 HD2 HIS 53 HD2 HIS 53 14.705 -6.212 -16.843
351 HE1 HIS 53 HE1 HIS 53 11.695 -7.087 -19.716
352 H ASP 54 H ASP 54 11.567 -1.487 -15.209
353 HA ASP 54 HA ASP 54 13.180 -0.875 -17.622
354 1HB ASP 54 1HB ASP 54 11.097 0.541 -16.054
355 2HB ASP 54 2HB ASP 54 12.510 1.541 -16.356
356 H PHE 55 H PHE 55 14.960 0.650 -17.510
357 HA PHE 55 HA PHE 55 16.233 1.140 -14.966
358 1HB PHE 55 2HB PHE 55 16.686 -1.330 -15.594
359 2HB PHE 55 1HB PHE 55 17.730 -0.706 -16.867
360 HD1 PHE 55 HD1 PHE 55 19.469 1.201 -15.927
361 HD2 PHE 55 HD2 PHE 55 17.575 -1.859 -13.546
362 HE1 PHE 55 HE1 PHE 55 21.273 1.372 -14.273
363 HE2 PHE 55 HE2 PHE 55 19.395 -1.718 -11.905
364 HZ PHE 55 HZ PHE 55 21.269 -0.096 -12.245
Start of MODEL 7
1 1H PHE 1 1H PHE 1 -15.804 5.112 5.594
2 2H PHE 1 2H PHE 1 -15.475 6.638 5.029
3 3H PHE 1 3H PHE 1 -16.089 5.492 4.017
4 HA PHE 1 HA PHE 1 -13.331 5.422 5.159
5 1HB PHE 1 2HB PHE 1 -13.836 3.491 3.134
6 2HB PHE 1 1HB PHE 1 -13.207 3.364 4.763
7 HD1 PHE 1 HD1 PHE 1 -14.453 2.441 6.607
8 HD2 PHE 1 HD2 PHE 1 -16.312 3.120 2.767
9 HE1 PHE 1 HE1 PHE 1 -16.464 1.197 7.350
10 HE2 PHE 1 HE2 PHE 1 -18.324 1.884 3.529
11 HZ PHE 1 HZ PHE 1 -18.403 0.926 5.820
12 H GLN 2 H GLN 2 -13.031 7.454 4.558
13 HA GLN 2 HA GLN 2 -11.216 6.974 2.678
14 1HB GLN 2 1HB GLN 2 -13.077 7.911 1.153
15 2HB GLN 2 2HB GLN 2 -12.822 9.461 1.951
16 1HG GLN 2 1HG GLN 2 -10.421 8.032 0.786
17 2HG GLN 2 2HG GLN 2 -11.617 8.629 -0.351
18 1HE2 GLN 2 1HE2 GLN 2 -12.165 11.015 -0.310
19 2HE2 GLN 2 2HE2 GLN 2 -10.881 12.095 0.219
20 H GLY 3 H GLY 3 -9.779 9.093 2.892
21 1HA GLY 3 1HA GLY 3 -8.887 10.882 4.015
22 2HA GLY 3 2HA GLY 3 -10.408 11.025 4.906
23 H ASN 4 H ASN 4 -10.699 9.230 6.625
24 HA ASN 4 HA ASN 4 -8.653 9.751 8.514
25 1HB ASN 4 1HB ASN 4 -11.253 8.959 8.790
26 2HB ASN 4 2HB ASN 4 -10.441 7.458 9.216
27 1HD2 ASN 4 1HD2 ASN 4 -8.024 8.516 10.469
28 2HD2 ASN 4 2HD2 ASN 4 -8.564 9.400 11.890
29 HA PRO 5 HA PRO 5 -7.029 5.162 8.008
30 1HB PRO 5 1HB PRO 5 -7.381 4.194 5.458
31 2HB PRO 5 2HB PRO 5 -8.368 3.755 6.864
32 1HG PRO 5 1HG PRO 5 -8.890 5.768 4.662
33 2HG PRO 5 2HG PRO 5 -10.003 4.530 5.334
34 1HD PRO 5 1HD PRO 5 -10.160 7.052 6.160
35 2HD PRO 5 2HD PRO 5 -10.282 5.745 7.356
36 H CYS 6 H CYS 6 -6.949 7.969 5.826
37 HA CYS 6 HA CYS 6 -4.169 7.290 5.017
38 1HB CYS 6 1HB CYS 6 -6.566 8.242 3.495
39 2HB CYS 6 2HB CYS 6 -5.015 8.893 3.033
40 H GLU 7 H GLU 7 -4.519 8.706 7.462
41 HA GLU 7 HA GLU 7 -4.115 11.522 7.033
42 1HB GLU 7 1HB GLU 7 -3.059 11.542 9.227
43 2HB GLU 7 2HB GLU 7 -4.564 10.626 9.253
44 1HG GLU 7 1HG GLU 7 -3.280 8.497 9.204
45 2HG GLU 7 2HG GLU 7 -1.766 9.403 9.138
46 H CYS 8 H CYS 8 -2.084 8.777 6.603
47 HA CYS 8 HA CYS 8 0.412 9.728 7.120
48 1HB CYS 8 1HB CYS 8 -0.757 7.476 5.548
49 2HB CYS 8 2HB CYS 8 0.953 7.766 5.309
50 HA PRO 9 HA PRO 9 1.899 12.176 3.881
51 1HB PRO 9 1HB PRO 9 4.592 11.827 3.949
52 2HB PRO 9 2HB PRO 9 3.697 12.484 5.352
53 1HG PRO 9 1HG PRO 9 4.659 9.649 4.905
54 2HG PRO 9 2HG PRO 9 4.772 10.638 6.393
55 1HD PRO 9 1HD PRO 9 2.801 8.757 5.835
56 2HD PRO 9 2HD PRO 9 2.580 10.081 6.992
57 H ARG 10 H ARG 10 3.048 12.221 1.762
58 HA ARG 10 HA ARG 10 2.622 9.733 0.237
59 1HB ARG 10 1HB ARG 10 3.501 12.517 -0.667
60 2HB ARG 10 2HB ARG 10 3.129 11.149 -1.702
61 1HG ARG 10 1HG ARG 10 1.237 12.391 -1.862
62 2HG ARG 10 2HG ARG 10 0.750 11.164 -0.709
63 1HD ARG 10 1HD ARG 10 1.813 13.812 0.324
64 2HD ARG 10 2HD ARG 10 0.233 13.791 -0.463
65 HE ARG 10 HE ARG 10 0.220 11.732 1.467
66 1HH1 ARG 10 2HH2 ARG 10 0.201 15.260 1.282
67 2HH1 ARG 10 1HH2 ARG 10 -0.671 15.487 2.763
68 1HH2 ARG 10 2HH1 ARG 10 -0.836 12.019 3.523
69 2HH2 ARG 10 1HH1 ARG 10 -1.336 13.580 4.029
70 H ALA 11 H ALA 11 4.578 9.357 2.145
71 HA ALA 11 HA ALA 11 7.196 9.675 1.216
72 1HB ALA 11 1HB ALA 11 5.971 7.764 3.252
73 2HB ALA 11 2HB ALA 11 7.706 8.047 3.020
74 3HB ALA 11 3HB ALA 11 6.679 9.365 3.597
75 H LEU 12 H LEU 12 8.344 8.410 -0.251
76 HA LEU 12 HA LEU 12 7.091 6.200 -1.605
77 1HB LEU 12 1HB LEU 12 9.638 7.878 -1.720
78 2HB LEU 12 2HB LEU 12 9.519 6.436 -2.680
79 HG LEU 12 HG LEU 12 9.017 8.477 -3.873
80 1HD1 LEU 12 1HD1 LEU 12 7.114 7.570 -5.160
81 2HD1 LEU 12 2HD1 LEU 12 8.221 6.275 -4.690
82 3HD1 LEU 12 3HD1 LEU 12 6.692 6.496 -3.810
83 1HD2 LEU 12 1HD2 LEU 12 6.381 8.632 -2.403
84 2HD2 LEU 12 2HD2 LEU 12 7.759 9.742 -2.200
85 3HD2 LEU 12 3HD2 LEU 12 6.922 9.643 -3.753
86 H HIS 13 H HIS 13 7.288 5.365 1.006
87 HA HIS 13 HA HIS 13 9.818 3.798 1.324
88 1HB HIS 13 1HB HIS 13 7.509 4.171 3.260
89 2HB HIS 13 2HB HIS 13 9.028 3.335 3.582
90 HD1 HIS 13 HD1 HIS 13 8.398 5.631 5.497
91 HD2 HIS 13 HD2 HIS 13 10.423 6.146 1.838
92 HE1 HIS 13 HE1 HIS 13 9.670 7.847 5.652
93 H ARG 14 H ARG 14 8.973 2.794 -0.720
94 HA ARG 14 HA ARG 14 6.491 1.657 -1.005
95 1HB ARG 14 1HB ARG 14 8.979 0.616 -2.404
96 2HB ARG 14 2HB ARG 14 7.304 0.551 -2.967
97 1HG ARG 14 1HG ARG 14 7.339 3.098 -3.083
98 2HG ARG 14 2HG ARG 14 9.059 3.029 -2.694
99 1HD ARG 14 1HD ARG 14 8.763 3.248 -5.096
100 2HD ARG 14 2HD ARG 14 9.514 1.694 -4.696
101 HE ARG 14 HE ARG 14 6.706 1.352 -4.802
102 1HH1 ARG 14 2HH2 ARG 14 9.416 1.955 -7.084
103 2HH1 ARG 14 1HH2 ARG 14 8.738 0.858 -8.281
104 1HH2 ARG 14 2HH1 ARG 14 5.799 0.089 -6.539
105 2HH2 ARG 14 1HH1 ARG 14 6.764 -0.153 -7.978
106 H VAL 15 H VAL 15 5.510 -0.422 -0.979
107 HA VAL 15 HA VAL 15 7.017 -2.679 0.206
108 HB VAL 15 HB VAL 15 5.390 -3.039 1.935
109 1HG1 VAL 15 1HG1 VAL 15 6.049 -0.111 2.046
110 2HG1 VAL 15 2HG1 VAL 15 5.835 -1.228 3.412
111 3HG1 VAL 15 3HG1 VAL 15 7.241 -1.380 2.331
112 1HG2 VAL 15 1HG2 VAL 15 3.582 -1.525 2.453
113 2HG2 VAL 15 2HG2 VAL 15 3.906 -0.573 0.984
114 3HG2 VAL 15 3HG2 VAL 15 3.329 -2.259 0.881
115 H CYS 16 H CYS 16 5.851 -4.748 0.053
116 HA CYS 16 HA CYS 16 4.118 -4.866 -2.344
117 1HB CYS 16 1HB CYS 16 6.106 -6.258 -2.105
118 2HB CYS 16 2HB CYS 16 5.514 -6.944 -0.635
119 H GLY 17 H GLY 17 1.892 -5.320 -2.254
120 1HA GLY 17 1HA GLY 17 0.729 -6.320 0.290
121 2HA GLY 17 2HA GLY 17 -0.169 -5.716 -1.090
122 H SER 18 H SER 18 -0.570 -8.172 0.145
123 HA SER 18 HA SER 18 0.395 -10.439 -0.749
124 1HB SER 18 1HB SER 18 -1.706 -11.466 -0.175
125 2HB SER 18 2HB SER 18 -1.515 -10.056 0.831
126 HG SER 18 HG SER 18 -3.634 -10.226 -0.167
127 H ASP 19 H ASP 19 -1.664 -8.558 -2.850
128 HA ASP 19 HA ASP 19 -1.956 -10.406 -4.988
129 1HB ASP 19 1HB ASP 19 -1.814 -7.395 -4.779
130 2HB ASP 19 2HB ASP 19 -2.314 -8.148 -6.282
131 H GLY 20 H GLY 20 0.982 -9.043 -3.851
132 1HA GLY 20 1HA GLY 20 3.089 -8.816 -4.837
133 2HA GLY 20 2HA GLY 20 2.414 -9.112 -6.443
134 H ASN 21 H ASN 21 0.208 -7.131 -5.194
135 HA ASN 21 HA ASN 21 0.799 -4.929 -6.790
136 1HB ASN 21 1HB ASN 21 -1.442 -5.788 -6.262
137 2HB ASN 21 2HB ASN 21 -1.239 -5.272 -4.564
138 1HD2 ASN 21 1HD2 ASN 21 -3.296 -4.175 -5.028
139 2HD2 ASN 21 2HD2 ASN 21 -3.242 -2.660 -5.921
140 H THR 22 H THR 22 2.665 -3.815 -6.222
141 HA THR 22 HA THR 22 3.400 -3.303 -3.580
142 HB THR 22 HB THR 22 4.389 -2.174 -6.192
143 HG1 THR 22 HG1 THR 22 4.464 -4.490 -5.552
144 1HG2 THR 22 1HG2 THR 22 6.417 -1.518 -4.996
145 2HG2 THR 22 2HG2 THR 22 5.050 -0.679 -4.242
146 3HG2 THR 22 3HG2 THR 22 5.762 -2.097 -3.467
147 H TYR 23 H TYR 23 3.302 -1.337 -2.379
148 HA TYR 23 HA TYR 23 1.565 0.835 -3.421
149 1HB TYR 23 1HB TYR 23 1.680 -0.452 -0.655
150 2HB TYR 23 2HB TYR 23 0.906 1.078 -0.990
151 HD1 TYR 23 HD1 TYR 23 -1.133 1.176 -2.518
152 HD2 TYR 23 HD2 TYR 23 0.600 -2.570 -1.250
153 HE1 TYR 23 HE1 TYR 23 -3.220 0.025 -3.105
154 HE2 TYR 23 HE2 TYR 23 -1.502 -3.735 -1.838
155 HH TYR 23 HH TYR 23 -4.312 -2.016 -3.234
156 H SER 24 H SER 24 2.426 2.913 -2.994
157 HA SER 24 HA SER 24 5.145 3.168 -2.758
158 1HB SER 24 1HB SER 24 3.085 5.305 -2.122
159 2HB SER 24 2HB SER 24 4.733 5.551 -2.732
160 HG SER 24 HG SER 24 4.112 4.867 -4.694
161 H ASN 25 H ASN 25 2.961 2.733 -0.071
162 HA ASN 25 HA ASN 25 5.124 2.551 1.697
163 1HB ASN 25 1HB ASN 25 4.308 4.242 3.410
164 2HB ASN 25 2HB ASN 25 5.080 4.921 2.011
165 1HD2 ASN 25 1HD2 ASN 25 4.036 6.624 1.101
166 2HD2 ASN 25 2HD2 ASN 25 2.392 7.105 1.547
167 HA PRO 26 HA PRO 26 2.186 -0.233 3.319
168 1HB PRO 26 1HB PRO 26 2.782 -0.501 5.970
169 2HB PRO 26 2HB PRO 26 3.839 -1.097 4.660
170 1HG PRO 26 1HG PRO 26 4.090 1.449 6.252
171 2HG PRO 26 2HG PRO 26 5.372 0.280 5.786
172 1HD PRO 26 1HD PRO 26 4.894 2.605 4.456
173 2HD PRO 26 2HD PRO 26 5.513 1.166 3.636
174 H CYS 27 H CYS 27 2.184 3.018 4.484
175 HA CYS 27 HA CYS 27 -0.081 2.745 6.261
176 1HB CYS 27 1HB CYS 27 1.808 4.626 6.126
177 2HB CYS 27 2HB CYS 27 0.718 5.334 4.952
178 H MET 28 H MET 28 0.425 3.806 2.822
179 HA MET 28 HA MET 28 -2.233 4.445 2.189
180 1HB MET 28 1HB MET 28 -0.407 4.943 0.740
181 2HB MET 28 2HB MET 28 0.131 3.290 0.627
182 1HG MET 28 1HG MET 28 -1.578 2.615 -0.727
183 2HG MET 28 2HG MET 28 -2.644 3.935 -0.212
184 1HE MET 28 1HE MET 28 0.738 4.490 -3.319
185 2HE MET 28 2HE MET 28 1.062 4.187 -1.595
186 3HE MET 28 3HE MET 28 0.307 2.924 -2.600
187 H LEU 29 H LEU 29 -0.427 1.469 1.977
188 HA LEU 29 HA LEU 29 -2.446 -0.248 1.036
189 1HB LEU 29 1HB LEU 29 -0.356 -1.075 1.057
190 2HB LEU 29 2HB LEU 29 -0.029 -0.708 2.767
191 HG LEU 29 HG LEU 29 -1.462 -2.969 1.632
192 1HD1 LEU 29 1HD1 LEU 29 0.519 -4.287 2.320
193 2HD1 LEU 29 2HD1 LEU 29 0.905 -3.032 1.142
194 3HD1 LEU 29 3HD1 LEU 29 1.275 -2.770 2.857
195 1HD2 LEU 29 1HD2 LEU 29 -2.368 -2.764 3.891
196 2HD2 LEU 29 2HD2 LEU 29 -1.142 -4.018 3.967
197 3HD2 LEU 29 3HD2 LEU 29 -0.741 -2.397 4.542
198 H THR 30 H THR 30 -1.405 0.041 4.418
199 HA THR 30 HA THR 30 -3.662 -1.349 5.407
200 HB THR 30 HB THR 30 -1.401 -0.378 6.512
201 HG1 THR 30 HG1 THR 30 -2.048 -1.481 8.263
202 1HG2 THR 30 1HG2 THR 30 -1.923 1.033 8.375
203 2HG2 THR 30 2HG2 THR 30 -2.348 1.832 6.847
204 3HG2 THR 30 3HG2 THR 30 -3.633 1.134 7.865
205 H CYS 31 H CYS 31 -3.393 2.247 4.926
206 HA CYS 31 HA CYS 31 -5.767 3.015 5.748
207 1HB CYS 31 1HB CYS 31 -4.302 4.659 4.762
208 2HB CYS 31 2HB CYS 31 -4.165 3.774 3.293
209 H ALA 32 H ALA 32 -5.129 1.983 2.415
210 HA ALA 32 HA ALA 32 -7.654 1.656 1.278
211 1HB ALA 32 1HB ALA 32 -5.552 1.459 0.094
212 2HB ALA 32 2HB ALA 32 -5.224 -0.091 0.899
213 3HB ALA 32 3HB ALA 32 -6.627 0.046 -0.172
214 H LYS 33 H LYS 33 -5.841 -0.637 3.160
215 HA LYS 33 HA LYS 33 -7.512 -2.911 3.023
216 1HB LYS 33 1HB LYS 33 -5.157 -2.782 3.921
217 2HB LYS 33 2HB LYS 33 -5.836 -2.131 5.414
218 1HG LYS 33 1HG LYS 33 -7.222 -4.089 5.729
219 2HG LYS 33 2HG LYS 33 -6.649 -4.772 4.192
220 1HD LYS 33 1HD LYS 33 -4.483 -5.100 4.911
221 2HD LYS 33 2HD LYS 33 -4.646 -4.052 6.264
222 1HE LYS 33 1HE LYS 33 -6.423 -6.472 5.915
223 2HE LYS 33 2HE LYS 33 -4.819 -6.661 6.609
224 1HZ LYS 33 1HZ LYS 33 -5.479 -5.124 8.385
225 2HZ LYS 33 2HZ LYS 33 -6.964 -4.931 7.709
226 3HZ LYS 33 3HZ LYS 33 -6.530 -6.396 8.318
227 H HIS 34 H HIS 34 -7.364 -0.513 5.640
228 HA HIS 34 HA HIS 34 -9.822 -1.390 6.888
229 1HB HIS 34 1HB HIS 34 -7.944 0.990 7.128
230 2HB HIS 34 2HB HIS 34 -9.487 0.967 7.948
231 HD1 HIS 34 HD1 HIS 34 -9.723 -0.784 10.007
232 HD2 HIS 34 HD2 HIS 34 -6.077 -0.938 7.909
233 HE1 HIS 34 HE1 HIS 34 -8.166 -2.340 11.320
234 H GLU 35 H GLU 35 -9.050 0.831 4.293
235 HA GLU 35 HA GLU 35 -11.532 2.286 4.558
236 1HB GLU 35 1HB GLU 35 -9.296 3.038 3.550
237 2HB GLU 35 2HB GLU 35 -9.859 2.324 2.059
238 1HG GLU 35 1HG GLU 35 -11.624 4.326 3.395
239 2HG GLU 35 2HG GLU 35 -10.090 4.887 2.806
240 H GLY 36 H GLY 36 -10.485 -0.282 2.254
241 1HA GLY 36 1HA GLY 36 -13.237 -1.280 2.038
242 2HA GLY 36 2HA GLY 36 -12.649 -0.450 0.599
243 H ASN 37 H ASN 37 -10.254 -2.331 2.466
244 HA ASN 37 HA ASN 37 -10.462 -4.563 0.472
245 1HB ASN 37 1HB ASN 37 -8.666 -2.568 -0.017
246 2HB ASN 37 2HB ASN 37 -7.751 -3.397 1.131
247 1HD2 ASN 37 1HD2 ASN 37 -6.926 -3.138 -1.478
248 2HD2 ASN 37 2HD2 ASN 37 -6.834 -4.768 -2.127
249 HA PRO 38 HA PRO 38 -9.768 -5.745 4.967
250 1HB PRO 38 1HB PRO 38 -11.628 -7.770 5.189
251 2HB PRO 38 2HB PRO 38 -11.994 -6.039 5.473
252 1HG PRO 38 1HG PRO 38 -12.424 -7.642 2.931
253 2HG PRO 38 2HG PRO 38 -13.589 -6.563 3.767
254 1HD PRO 38 1HD PRO 38 -12.137 -5.692 1.643
255 2HD PRO 38 2HD PRO 38 -12.435 -4.614 3.042
256 H ASP 39 H ASP 39 -9.901 -7.423 1.956
257 HA ASP 39 HA ASP 39 -8.518 -9.858 2.629
258 1HB ASP 39 1HB ASP 39 -9.864 -8.509 0.355
259 2HB ASP 39 2HB ASP 39 -8.396 -9.312 -0.138
260 H LEU 40 H LEU 40 -7.387 -6.587 2.098
261 HA LEU 40 HA LEU 40 -4.789 -7.338 0.934
262 1HB LEU 40 1HB LEU 40 -5.577 -5.203 0.250
263 2HB LEU 40 2HB LEU 40 -6.207 -4.833 1.863
264 HG LEU 40 HG LEU 40 -4.177 -4.440 2.748
265 1HD1 LEU 40 1HD1 LEU 40 -2.951 -5.910 0.764
266 2HD1 LEU 40 2HD1 LEU 40 -2.493 -4.271 0.343
267 3HD1 LEU 40 3HD1 LEU 40 -2.154 -4.918 1.992
268 1HD2 LEU 40 1HD2 LEU 40 -4.411 -2.937 0.088
269 2HD2 LEU 40 2HD2 LEU 40 -5.259 -2.531 1.578
270 3HD2 LEU 40 3HD2 LEU 40 -3.501 -2.360 1.480
271 H VAL 41 H VAL 41 -2.918 -7.295 2.198
272 HA VAL 41 HA VAL 41 -3.105 -6.951 5.072
273 HB VAL 41 HB VAL 41 -1.971 -9.122 5.412
274 1HG1 VAL 41 1HG1 VAL 41 -4.450 -8.875 5.720
275 2HG1 VAL 41 2HG1 VAL 41 -4.659 -9.584 4.093
276 3HG1 VAL 41 3HG1 VAL 41 -3.891 -10.529 5.375
277 1HG2 VAL 41 1HG2 VAL 41 -2.804 -9.784 2.563
278 2HG2 VAL 41 2HG2 VAL 41 -1.130 -9.513 3.124
279 3HG2 VAL 41 3HG2 VAL 41 -2.054 -10.889 3.724
280 H GLN 42 H GLN 42 -0.996 -6.688 5.987
281 HA GLN 42 HA GLN 42 1.153 -5.892 4.177
282 1HB GLN 42 1HB GLN 42 0.580 -4.882 6.512
283 2HB GLN 42 2HB GLN 42 1.297 -6.331 7.194
284 1HG GLN 42 1HG GLN 42 3.044 -4.726 7.141
285 2HG GLN 42 2HG GLN 42 3.394 -5.787 5.775
286 1HE2 GLN 42 1HE2 GLN 42 3.924 -4.629 3.867
287 2HE2 GLN 42 2HE2 GLN 42 3.312 -3.020 3.540
288 H VAL 43 H VAL 43 1.226 -7.944 2.978
289 HA VAL 43 HA VAL 43 1.783 -10.438 4.069
290 HB VAL 43 HB VAL 43 3.259 -10.746 1.907
291 1HG1 VAL 43 1HG1 VAL 43 1.334 -11.413 0.774
292 2HG1 VAL 43 2HG1 VAL 43 1.001 -11.672 2.476
293 3HG1 VAL 43 3HG1 VAL 43 0.315 -10.236 1.683
294 1HG2 VAL 43 1HG2 VAL 43 3.370 -8.351 1.228
295 2HG2 VAL 43 2HG2 VAL 43 2.482 -9.313 0.046
296 3HG2 VAL 43 3HG2 VAL 43 1.603 -8.271 1.183
297 H HIS 44 H HIS 44 3.973 -7.796 3.167
298 HA HIS 44 HA HIS 44 5.537 -8.075 5.429
299 1HB HIS 44 1HB HIS 44 7.501 -8.941 4.782
300 2HB HIS 44 2HB HIS 44 6.483 -9.953 3.845
301 HD1 HIS 44 HD1 HIS 44 6.160 -7.955 1.258
302 HD2 HIS 44 HD2 HIS 44 9.661 -9.023 3.335
303 HE1 HIS 44 HE1 HIS 44 8.071 -7.847 -0.421
304 H GLU 45 H GLU 45 7.601 -6.379 4.766
305 HA GLU 45 HA GLU 45 6.360 -3.880 3.868
306 1HB GLU 45 1HB GLU 45 8.074 -4.233 5.769
307 2HB GLU 45 2HB GLU 45 9.285 -4.478 4.514
308 1HG GLU 45 1HG GLU 45 8.801 -2.166 3.669
309 2HG GLU 45 2HG GLU 45 7.553 -1.988 4.908
310 H GLY 46 H GLY 46 9.083 -3.325 2.483
311 1HA GLY 46 1HA GLY 46 10.288 -3.555 0.602
312 2HA GLY 46 2HA GLY 46 10.080 -5.266 0.883
313 HA PRO 47 HA PRO 47 7.194 -3.605 -2.599
314 1HB PRO 47 1HB PRO 47 8.485 -2.419 -4.640
315 2HB PRO 47 2HB PRO 47 8.053 -1.555 -3.127
316 1HG PRO 47 1HG PRO 47 10.729 -2.792 -3.834
317 2HG PRO 47 2HG PRO 47 10.413 -1.127 -3.253
318 1HD PRO 47 1HD PRO 47 11.111 -3.161 -1.564
319 2HD PRO 47 2HD PRO 47 9.976 -1.880 -1.067
320 H CYS 48 H CYS 48 6.484 -5.285 -3.771
321 HA CYS 48 HA CYS 48 8.279 -7.357 -4.786
322 1HB CYS 48 1HB CYS 48 5.301 -6.834 -4.992
323 2HB CYS 48 2HB CYS 48 6.077 -8.124 -5.882
324 H ASP 49 H ASP 49 6.659 -4.517 -6.176
325 HA ASP 49 HA ASP 49 7.079 -5.065 -8.874
326 1HB ASP 49 1HB ASP 49 5.463 -3.447 -8.220
327 2HB ASP 49 2HB ASP 49 6.652 -2.518 -7.309
328 H GLU 50 H GLU 50 8.833 -2.342 -7.200
329 HA GLU 50 HA GLU 50 11.370 -3.545 -7.512
330 1HB GLU 50 1HB GLU 50 10.417 -2.064 -9.809
331 2HB GLU 50 2HB GLU 50 11.645 -1.077 -9.050
332 1HG GLU 50 1HG GLU 50 12.014 -4.008 -9.841
333 2HG GLU 50 2HG GLU 50 12.479 -2.632 -10.833
334 H HIS 51 H HIS 51 13.061 -1.903 -6.930
335 HA HIS 51 HA HIS 51 12.087 0.094 -4.945
336 1HB HIS 51 1HB HIS 51 13.833 -0.472 -3.472
337 2HB HIS 51 2HB HIS 51 12.928 -1.927 -3.854
338 HD1 HIS 51 HD1 HIS 51 14.726 -2.792 -6.565
339 HD2 HIS 51 HD2 HIS 51 16.023 -1.565 -2.714
340 HE1 HIS 51 HE1 HIS 51 17.051 -3.722 -6.212
341 H ASP 52 H ASP 52 12.121 1.651 -6.672
342 HA ASP 52 HA ASP 52 14.442 2.514 -7.952
343 1HB ASP 52 1HB ASP 52 13.065 4.590 -8.300
344 2HB ASP 52 2HB ASP 52 12.294 3.097 -8.819
345 H HIS 53 H HIS 53 15.326 4.799 -7.539
346 HA HIS 53 HA HIS 53 15.738 5.388 -4.672
347 1HB HIS 53 1HB HIS 53 17.327 3.549 -5.911
348 2HB HIS 53 2HB HIS 53 18.206 4.994 -6.348
349 HD1 HIS 53 HD1 HIS 53 18.000 2.504 -3.744
350 HD2 HIS 53 HD2 HIS 53 18.610 6.670 -3.857
351 HE1 HIS 53 HE1 HIS 53 19.164 3.140 -1.543
352 H ASP 54 H ASP 54 14.306 6.925 -6.452
353 HA ASP 54 HA ASP 54 15.765 8.707 -8.105
354 1HB ASP 54 1HB ASP 54 13.314 8.169 -8.215
355 2HB ASP 54 2HB ASP 54 13.063 9.147 -6.769
356 H PHE 55 H PHE 55 14.701 9.018 -4.747
357 HA PHE 55 HA PHE 55 16.360 11.429 -4.323
358 1HB PHE 55 2HB PHE 55 14.059 10.319 -2.663
359 2HB PHE 55 1HB PHE 55 15.114 11.636 -2.175
360 HD1 PHE 55 HD1 PHE 55 15.112 13.810 -3.460
361 HD2 PHE 55 HD2 PHE 55 12.219 10.710 -4.222
362 HE1 PHE 55 HE1 PHE 55 13.653 15.454 -4.621
363 HE2 PHE 55 HE2 PHE 55 10.769 12.349 -5.387
364 HZ PHE 55 HZ PHE 55 11.476 14.724 -5.581
Start of MODEL 8
1 1H PHE 1 1H PHE 1 -15.696 6.019 3.359
2 2H PHE 1 2H PHE 1 -15.939 5.016 4.647
3 3H PHE 1 3H PHE 1 -15.352 6.552 4.883
4 HA PHE 1 HA PHE 1 -13.435 5.176 5.034
5 1HB PHE 1 2HB PHE 1 -13.659 3.772 2.533
6 2HB PHE 1 1HB PHE 1 -13.209 3.300 4.150
7 HD1 PHE 1 HD1 PHE 1 -14.928 2.601 5.848
8 HD2 PHE 1 HD2 PHE 1 -15.901 3.277 1.696
9 HE1 PHE 1 HE1 PHE 1 -17.110 1.479 6.179
10 HE2 PHE 1 HE2 PHE 1 -18.080 2.138 2.030
11 HZ PHE 1 HZ PHE 1 -18.696 1.253 4.275
12 H GLN 2 H GLN 2 -12.122 6.861 4.754
13 HA GLN 2 HA GLN 2 -10.547 6.937 2.601
14 1HB GLN 2 1HB GLN 2 -12.708 8.965 2.262
15 2HB GLN 2 2HB GLN 2 -11.058 9.598 2.157
16 1HG GLN 2 1HG GLN 2 -10.505 7.889 0.450
17 2HG GLN 2 2HG GLN 2 -12.214 7.436 0.385
18 1HE2 GLN 2 1HE2 GLN 2 -10.812 8.359 -1.863
19 2HE2 GLN 2 2HE2 GLN 2 -11.457 9.946 -2.296
20 H GLY 3 H GLY 3 -11.721 9.783 4.273
21 1HA GLY 3 1HA GLY 3 -9.217 10.443 5.518
22 2HA GLY 3 2HA GLY 3 -10.747 11.316 5.649
23 H ASN 4 H ASN 4 -9.741 8.066 6.536
24 HA ASN 4 HA ASN 4 -9.492 8.706 9.299
25 1HB ASN 4 1HB ASN 4 -12.004 7.779 8.785
26 2HB ASN 4 2HB ASN 4 -11.188 6.247 9.114
27 1HD2 ASN 4 1HD2 ASN 4 -12.868 6.301 10.950
28 2HD2 ASN 4 2HD2 ASN 4 -12.315 7.125 12.403
29 HA PRO 5 HA PRO 5 -7.234 4.551 8.030
30 1HB PRO 5 1HB PRO 5 -7.496 4.064 5.286
31 2HB PRO 5 2HB PRO 5 -8.219 3.120 6.611
32 1HG PRO 5 1HG PRO 5 -9.352 5.201 4.816
33 2HG PRO 5 2HG PRO 5 -10.148 3.752 5.509
34 1HD PRO 5 1HD PRO 5 -10.602 6.238 6.503
35 2HD PRO 5 2HD PRO 5 -10.528 4.806 7.558
36 H CYS 6 H CYS 6 -7.576 7.403 5.849
37 HA CYS 6 HA CYS 6 -4.620 7.318 5.428
38 1HB CYS 6 1HB CYS 6 -6.946 8.015 3.693
39 2HB CYS 6 2HB CYS 6 -5.487 8.956 3.504
40 H GLU 7 H GLU 7 -3.873 8.543 7.159
41 HA GLU 7 HA GLU 7 -4.158 11.471 6.625
42 1HB GLU 7 1HB GLU 7 -4.372 10.008 9.166
43 2HB GLU 7 2HB GLU 7 -3.095 11.217 9.227
44 1HG GLU 7 1HG GLU 7 -4.632 12.974 8.501
45 2HG GLU 7 2HG GLU 7 -5.939 11.794 8.316
46 H CYS 8 H CYS 8 -2.158 8.954 6.027
47 HA CYS 8 HA CYS 8 0.282 9.777 7.274
48 1HB CYS 8 1HB CYS 8 -0.642 7.644 5.374
49 2HB CYS 8 2HB CYS 8 1.077 7.897 5.495
50 HA PRO 9 HA PRO 9 2.226 12.276 4.255
51 1HB PRO 9 1HB PRO 9 4.879 11.790 4.448
52 2HB PRO 9 2HB PRO 9 3.954 12.365 5.865
53 1HG PRO 9 1HG PRO 9 4.746 9.520 5.192
54 2HG PRO 9 2HG PRO 9 4.917 10.374 6.755
55 1HD PRO 9 1HD PRO 9 2.824 8.703 6.073
56 2HD PRO 9 2HD PRO 9 2.684 10.005 7.267
57 H ARG 10 H ARG 10 3.562 12.352 2.257
58 HA ARG 10 HA ARG 10 3.117 9.971 0.566
59 1HB ARG 10 1HB ARG 10 4.265 12.689 -0.212
60 2HB ARG 10 2HB ARG 10 3.655 11.418 -1.277
61 1HG ARG 10 1HG ARG 10 1.370 11.744 -0.059
62 2HG ARG 10 2HG ARG 10 2.084 13.215 0.621
63 1HD ARG 10 1HD ARG 10 0.845 13.883 -1.317
64 2HD ARG 10 2HD ARG 10 2.555 14.012 -1.720
65 HE ARG 10 HE ARG 10 2.388 12.262 -3.204
66 1HH1 ARG 10 2HH2 ARG 10 -0.710 12.580 -1.520
67 2HH1 ARG 10 1HH2 ARG 10 -1.550 11.446 -2.516
68 1HH2 ARG 10 2HH1 ARG 10 1.303 10.717 -4.514
69 2HH2 ARG 10 1HH1 ARG 10 -0.366 10.370 -4.265
70 H ALA 11 H ALA 11 4.940 9.404 2.563
71 HA ALA 11 HA ALA 11 7.597 9.588 1.699
72 1HB ALA 11 1HB ALA 11 6.957 9.273 4.072
73 2HB ALA 11 2HB ALA 11 6.262 7.682 3.667
74 3HB ALA 11 3HB ALA 11 8.014 7.965 3.504
75 H LEU 12 H LEU 12 8.547 8.439 0.059
76 HA LEU 12 HA LEU 12 7.148 6.332 -1.321
77 1HB LEU 12 1HB LEU 12 9.740 7.917 -1.551
78 2HB LEU 12 2HB LEU 12 9.496 6.541 -2.570
79 HG LEU 12 HG LEU 12 9.000 8.672 -3.592
80 1HD1 LEU 12 1HD1 LEU 12 6.596 6.782 -3.550
81 2HD1 LEU 12 2HD1 LEU 12 7.076 7.862 -4.876
82 3HD1 LEU 12 3HD1 LEU 12 8.099 6.480 -4.449
83 1HD2 LEU 12 1HD2 LEU 12 6.917 9.845 -3.303
84 2HD2 LEU 12 2HD2 LEU 12 6.440 8.756 -1.990
85 3HD2 LEU 12 3HD2 LEU 12 7.839 9.846 -1.799
86 H HIS 13 H HIS 13 7.571 5.369 1.231
87 HA HIS 13 HA HIS 13 9.899 3.508 1.129
88 1HB HIS 13 1HB HIS 13 7.606 3.696 3.123
89 2HB HIS 13 2HB HIS 13 8.998 2.614 3.232
90 HD1 HIS 13 HD1 HIS 13 8.246 4.954 5.385
91 HD2 HIS 13 HD2 HIS 13 11.208 4.999 2.391
92 HE1 HIS 13 HE1 HIS 13 9.999 6.688 6.095
93 H ARG 14 H ARG 14 9.042 2.897 -1.068
94 HA ARG 14 HA ARG 14 6.561 1.802 -1.614
95 1HB ARG 14 1HB ARG 14 9.301 1.149 -2.755
96 2HB ARG 14 2HB ARG 14 7.827 0.468 -3.433
97 1HG ARG 14 1HG ARG 14 7.996 3.470 -3.066
98 2HG ARG 14 2HG ARG 14 8.841 2.710 -4.411
99 1HD ARG 14 1HD ARG 14 5.894 2.179 -3.875
100 2HD ARG 14 2HD ARG 14 6.448 3.518 -4.869
101 HE ARG 14 HE ARG 14 6.695 0.633 -5.421
102 1HH1 ARG 14 2HH2 ARG 14 7.366 4.005 -6.468
103 2HH1 ARG 14 1HH2 ARG 14 7.876 3.564 -8.061
104 1HH2 ARG 14 2HH1 ARG 14 7.459 0.134 -7.912
105 2HH2 ARG 14 1HH1 ARG 14 7.959 1.486 -8.752
106 H VAL 15 H VAL 15 5.429 -0.076 -1.209
107 HA VAL 15 HA VAL 15 6.914 -2.371 -0.039
108 HB VAL 15 HB VAL 15 5.407 -2.708 1.705
109 1HG1 VAL 15 1HG1 VAL 15 5.816 -0.879 3.105
110 2HG1 VAL 15 2HG1 VAL 15 7.119 -0.769 1.895
111 3HG1 VAL 15 3HG1 VAL 15 5.677 0.267 1.767
112 1HG2 VAL 15 1HG2 VAL 15 3.678 -0.351 0.792
113 2HG2 VAL 15 2HG2 VAL 15 3.220 -2.061 0.620
114 3HG2 VAL 15 3HG2 VAL 15 3.442 -1.406 2.212
115 H CYS 16 H CYS 16 5.716 -4.403 -0.096
116 HA CYS 16 HA CYS 16 3.732 -4.539 -2.289
117 1HB CYS 16 1HB CYS 16 5.784 -5.779 -2.375
118 2HB CYS 16 2HB CYS 16 5.500 -6.548 -0.862
119 H GLY 17 H GLY 17 1.623 -5.066 -1.964
120 1HA GLY 17 1HA GLY 17 0.801 -6.271 0.638
121 2HA GLY 17 2HA GLY 17 -0.289 -5.605 -0.582
122 H SER 18 H SER 18 -0.449 -8.179 0.431
123 HA SER 18 HA SER 18 0.744 -10.236 -0.370
124 1HB SER 18 1HB SER 18 -1.244 -11.563 0.050
125 2HB SER 18 2HB SER 18 -1.268 -10.110 1.031
126 HG SER 18 HG SER 18 -2.823 -10.513 -1.299
127 H ASP 19 H ASP 19 -1.351 -8.802 -2.728
128 HA ASP 19 HA ASP 19 -1.319 -10.946 -4.632
129 1HB ASP 19 1HB ASP 19 -1.830 -7.981 -4.771
130 2HB ASP 19 2HB ASP 19 -2.206 -9.040 -6.121
131 H GLY 20 H GLY 20 1.341 -9.115 -3.663
132 1HA GLY 20 1HA GLY 20 3.402 -8.715 -4.880
133 2HA GLY 20 2HA GLY 20 2.578 -8.998 -6.396
134 H ASN 21 H ASN 21 0.420 -7.245 -4.779
135 HA ASN 21 HA ASN 21 0.565 -5.045 -6.475
136 1HB ASN 21 1HB ASN 21 -1.407 -6.184 -5.600
137 2HB ASN 21 2HB ASN 21 -1.144 -5.469 -3.990
138 1HD2 ASN 21 1HD2 ASN 21 -3.512 -5.306 -5.556
139 2HD2 ASN 21 2HD2 ASN 21 -3.680 -3.668 -6.159
140 H THR 22 H THR 22 2.493 -3.873 -6.164
141 HA THR 22 HA THR 22 3.371 -3.084 -3.641
142 HB THR 22 HB THR 22 4.218 -2.195 -6.371
143 HG1 THR 22 HG1 THR 22 4.379 -4.432 -5.577
144 1HG2 THR 22 1HG2 THR 22 5.698 -1.795 -3.722
145 2HG2 THR 22 2HG2 THR 22 6.278 -1.368 -5.327
146 3HG2 THR 22 3HG2 THR 22 4.906 -0.494 -4.624
147 H TYR 23 H TYR 23 3.290 -1.028 -2.598
148 HA TYR 23 HA TYR 23 1.452 1.060 -3.603
149 1HB TYR 23 1HB TYR 23 1.758 -0.092 -0.789
150 2HB TYR 23 2HB TYR 23 0.932 1.395 -1.156
151 HD1 TYR 23 HD1 TYR 23 0.796 -2.296 -1.516
152 HD2 TYR 23 HD2 TYR 23 -1.332 1.417 -2.093
153 HE1 TYR 23 HE1 TYR 23 -1.291 -3.558 -1.918
154 HE2 TYR 23 HE2 TYR 23 -3.416 0.171 -2.482
155 HH TYR 23 HH TYR 23 -4.333 -1.952 -2.860
156 H SER 24 H SER 24 2.129 3.180 -2.837
157 HA SER 24 HA SER 24 4.833 3.765 -2.797
158 1HB SER 24 1HB SER 24 3.040 5.366 -3.359
159 2HB SER 24 2HB SER 24 2.588 5.438 -1.645
160 HG SER 24 HG SER 24 4.834 6.117 -1.282
161 H ASN 25 H ASN 25 2.817 2.918 0.031
162 HA ASN 25 HA ASN 25 5.063 2.568 1.701
163 1HB ASN 25 1HB ASN 25 4.284 4.182 3.519
164 2HB ASN 25 2HB ASN 25 5.137 4.872 2.177
165 1HD2 ASN 25 1HD2 ASN 25 4.301 6.700 1.510
166 2HD2 ASN 25 2HD2 ASN 25 2.687 7.307 1.928
167 HA PRO 26 HA PRO 26 2.098 -0.175 3.281
168 1HB PRO 26 1HB PRO 26 2.729 -0.584 5.909
169 2HB PRO 26 2HB PRO 26 3.754 -1.149 4.550
170 1HG PRO 26 1HG PRO 26 4.147 1.258 6.294
171 2HG PRO 26 2HG PRO 26 5.373 0.120 5.653
172 1HD PRO 26 1HD PRO 26 4.770 2.588 4.623
173 2HD PRO 26 2HD PRO 26 5.490 1.291 3.658
174 H CYS 27 H CYS 27 2.251 2.967 4.704
175 HA CYS 27 HA CYS 27 -0.154 2.766 6.263
176 1HB CYS 27 1HB CYS 27 1.646 4.632 6.293
177 2HB CYS 27 2HB CYS 27 0.798 5.321 4.933
178 H MET 28 H MET 28 0.494 3.879 2.879
179 HA MET 28 HA MET 28 -2.219 4.218 2.148
180 1HB MET 28 1HB MET 28 0.188 3.425 0.476
181 2HB MET 28 2HB MET 28 -1.430 3.601 -0.194
182 1HG MET 28 1HG MET 28 -1.547 5.922 0.720
183 2HG MET 28 2HG MET 28 0.096 5.758 1.320
184 1HE MET 28 1HE MET 28 -1.458 4.548 -2.182
185 2HE MET 28 2HE MET 28 -2.267 6.051 -1.688
186 3HE MET 28 3HE MET 28 -1.189 6.038 -3.104
187 H LEU 29 H LEU 29 -0.329 1.168 2.119
188 HA LEU 29 HA LEU 29 -2.375 -0.555 1.114
189 1HB LEU 29 1HB LEU 29 -0.259 -1.357 1.239
190 2HB LEU 29 2HB LEU 29 -0.025 -0.965 2.962
191 HG LEU 29 HG LEU 29 -1.512 -3.178 1.807
192 1HD1 LEU 29 1HD1 LEU 29 1.221 -3.140 3.062
193 2HD1 LEU 29 2HD1 LEU 29 0.356 -4.610 2.558
194 3HD1 LEU 29 3HD1 LEU 29 0.835 -3.415 1.354
195 1HD2 LEU 29 1HD2 LEU 29 -0.840 -2.602 4.729
196 2HD2 LEU 29 2HD2 LEU 29 -2.460 -2.909 4.037
197 3HD2 LEU 29 3HD2 LEU 29 -1.298 -4.215 4.170
198 H THR 30 H THR 30 -1.424 -0.147 4.520
199 HA THR 30 HA THR 30 -3.710 -1.465 5.475
200 HB THR 30 HB THR 30 -1.465 -0.506 6.595
201 HG1 THR 30 HG1 THR 30 -2.245 -1.439 8.443
202 1HG2 THR 30 1HG2 THR 30 -2.359 1.760 6.790
203 2HG2 THR 30 2HG2 THR 30 -3.671 1.150 7.823
204 3HG2 THR 30 3HG2 THR 30 -1.971 1.035 8.365
205 H CYS 31 H CYS 31 -3.381 2.064 4.844
206 HA CYS 31 HA CYS 31 -5.775 2.925 5.690
207 1HB CYS 31 1HB CYS 31 -4.291 4.563 4.830
208 2HB CYS 31 2HB CYS 31 -4.081 3.713 3.312
209 H ALA 32 H ALA 32 -5.078 1.940 2.335
210 HA ALA 32 HA ALA 32 -7.585 1.613 1.157
211 1HB ALA 32 1HB ALA 32 -5.178 -0.186 0.885
212 2HB ALA 32 2HB ALA 32 -6.554 -0.074 -0.217
213 3HB ALA 32 3HB ALA 32 -5.464 1.334 0.010
214 H LYS 33 H LYS 33 -5.849 -0.711 3.127
215 HA LYS 33 HA LYS 33 -7.645 -2.892 2.965
216 1HB LYS 33 1HB LYS 33 -5.283 -2.881 3.906
217 2HB LYS 33 2HB LYS 33 -5.974 -2.246 5.398
218 1HG LYS 33 1HG LYS 33 -7.519 -4.160 5.528
219 2HG LYS 33 2HG LYS 33 -6.816 -4.817 4.039
220 1HD LYS 33 1HD LYS 33 -4.768 -5.275 4.935
221 2HD LYS 33 2HD LYS 33 -4.988 -4.239 6.276
222 1HE LYS 33 1HE LYS 33 -6.732 -6.655 5.711
223 2HE LYS 33 2HE LYS 33 -5.278 -6.770 6.703
224 1HZ LYS 33 1HZ LYS 33 -6.325 -5.195 8.252
225 2HZ LYS 33 2HZ LYS 33 -7.661 -5.116 7.286
226 3HZ LYS 33 3HZ LYS 33 -7.281 -6.523 8.038
227 H HIS 34 H HIS 34 -7.404 -0.535 5.643
228 HA HIS 34 HA HIS 34 -9.961 -1.315 6.761
229 1HB HIS 34 1HB HIS 34 -7.731 0.462 7.465
230 2HB HIS 34 2HB HIS 34 -9.272 1.261 7.716
231 HD1 HIS 34 HD1 HIS 34 -11.111 -0.283 9.208
232 HD2 HIS 34 HD2 HIS 34 -7.001 -1.193 9.386
233 HE1 HIS 34 HE1 HIS 34 -10.763 -1.725 11.304
234 H GLU 35 H GLU 35 -9.095 0.786 4.095
235 HA GLU 35 HA GLU 35 -11.461 2.385 4.386
236 1HB GLU 35 1HB GLU 35 -9.139 2.848 3.195
237 2HB GLU 35 2HB GLU 35 -9.970 2.209 1.799
238 1HG GLU 35 1HG GLU 35 -11.399 4.356 3.221
239 2HG GLU 35 2HG GLU 35 -9.814 4.809 2.666
240 H GLY 36 H GLY 36 -10.481 -0.118 1.966
241 1HA GLY 36 1HA GLY 36 -13.163 -1.291 1.963
242 2HA GLY 36 2HA GLY 36 -12.768 -0.377 0.501
243 H ASN 37 H ASN 37 -10.278 -2.264 2.309
244 HA ASN 37 HA ASN 37 -10.455 -4.426 0.238
245 1HB ASN 37 1HB ASN 37 -8.553 -2.543 -0.150
246 2HB ASN 37 2HB ASN 37 -7.738 -3.403 1.056
247 1HD2 ASN 37 1HD2 ASN 37 -6.798 -3.215 -1.528
248 2HD2 ASN 37 2HD2 ASN 37 -6.761 -4.860 -2.156
249 HA PRO 38 HA PRO 38 -10.116 -5.745 4.710
250 1HB PRO 38 1HB PRO 38 -12.088 -7.697 4.701
251 2HB PRO 38 2HB PRO 38 -12.382 -5.968 5.055
252 1HG PRO 38 1HG PRO 38 -12.765 -7.428 2.427
253 2HG PRO 38 2HG PRO 38 -13.881 -6.276 3.228
254 1HD PRO 38 1HD PRO 38 -12.213 -5.508 1.217
255 2HD PRO 38 2HD PRO 38 -12.570 -4.419 2.593
256 H ASP 39 H ASP 39 -10.114 -7.324 1.649
257 HA ASP 39 HA ASP 39 -8.905 -9.840 2.288
258 1HB ASP 39 1HB ASP 39 -9.717 -8.162 -0.081
259 2HB ASP 39 2HB ASP 39 -8.475 -9.354 -0.353
260 H LEU 40 H LEU 40 -7.556 -6.601 1.905
261 HA LEU 40 HA LEU 40 -4.923 -7.475 0.906
262 1HB LEU 40 1HB LEU 40 -5.579 -5.291 0.225
263 2HB LEU 40 2HB LEU 40 -6.291 -4.923 1.801
264 HG LEU 40 HG LEU 40 -4.276 -4.607 2.808
265 1HD1 LEU 40 1HD1 LEU 40 -2.503 -4.449 0.472
266 2HD1 LEU 40 2HD1 LEU 40 -2.252 -5.115 2.133
267 3HD1 LEU 40 3HD1 LEU 40 -3.014 -6.084 0.869
268 1HD2 LEU 40 1HD2 LEU 40 -3.517 -2.528 1.674
269 2HD2 LEU 40 2HD2 LEU 40 -4.317 -3.040 0.176
270 3HD2 LEU 40 3HD2 LEU 40 -5.272 -2.663 1.612
271 H VAL 41 H VAL 41 -3.027 -7.423 2.218
272 HA VAL 41 HA VAL 41 -3.353 -7.198 5.104
273 HB VAL 41 HB VAL 41 -2.278 -9.379 5.443
274 1HG1 VAL 41 1HG1 VAL 41 -4.171 -10.791 5.193
275 2HG1 VAL 41 2HG1 VAL 41 -4.760 -9.155 5.561
276 3HG1 VAL 41 3HG1 VAL 41 -4.835 -9.795 3.894
277 1HG2 VAL 41 1HG2 VAL 41 -2.204 -11.095 3.706
278 2HG2 VAL 41 2HG2 VAL 41 -2.841 -9.954 2.513
279 3HG2 VAL 41 3HG2 VAL 41 -1.221 -9.712 3.236
280 H GLN 42 H GLN 42 -1.322 -6.932 6.171
281 HA GLN 42 HA GLN 42 0.929 -6.038 4.547
282 1HB GLN 42 1HB GLN 42 0.230 -5.095 6.869
283 2HB GLN 42 2HB GLN 42 0.919 -6.557 7.551
284 1HG GLN 42 1HG GLN 42 2.767 -5.125 7.608
285 2HG GLN 42 2HG GLN 42 3.057 -5.943 6.080
286 1HE2 GLN 42 1HE2 GLN 42 3.718 -4.439 4.449
287 2HE2 GLN 42 2HE2 GLN 42 3.059 -2.813 4.398
288 H VAL 43 H VAL 43 1.266 -7.978 3.307
289 HA VAL 43 HA VAL 43 2.101 -10.417 4.367
290 HB VAL 43 HB VAL 43 3.580 -10.401 2.175
291 1HG1 VAL 43 1HG1 VAL 43 0.562 -10.394 1.960
292 2HG1 VAL 43 2HG1 VAL 43 1.748 -11.309 0.976
293 3HG1 VAL 43 3HG1 VAL 43 1.490 -11.739 2.648
294 1HG2 VAL 43 1HG2 VAL 43 3.278 -7.976 1.659
295 2HG2 VAL 43 2HG2 VAL 43 2.599 -9.003 0.395
296 3HG2 VAL 43 3HG2 VAL 43 1.524 -8.210 1.560
297 H HIS 44 H HIS 44 3.977 -7.459 3.473
298 HA HIS 44 HA HIS 44 5.717 -7.635 5.698
299 1HB HIS 44 1HB HIS 44 6.728 -9.380 4.114
300 2HB HIS 44 2HB HIS 44 6.982 -8.070 2.956
301 HD1 HIS 44 HD1 HIS 44 7.760 -8.009 6.773
302 HD2 HIS 44 HD2 HIS 44 9.605 -7.748 2.993
303 HE1 HIS 44 HE1 HIS 44 10.173 -7.258 7.174
304 H GLU 45 H GLU 45 7.688 -5.951 4.877
305 HA GLU 45 HA GLU 45 6.492 -3.569 3.615
306 1HB GLU 45 1HB GLU 45 7.851 -3.560 5.913
307 2HB GLU 45 2HB GLU 45 9.258 -3.688 4.850
308 1HG GLU 45 1HG GLU 45 8.388 -1.631 3.630
309 2HG GLU 45 2HG GLU 45 7.075 -1.546 4.814
310 H GLY 46 H GLY 46 8.669 -2.611 2.230
311 1HA GLY 46 1HA GLY 46 10.174 -2.903 0.542
312 2HA GLY 46 2HA GLY 46 10.234 -4.635 0.893
313 HA PRO 47 HA PRO 47 7.177 -3.574 -2.628
314 1HB PRO 47 1HB PRO 47 8.445 -2.750 -4.840
315 2HB PRO 47 2HB PRO 47 8.210 -1.656 -3.451
316 1HG PRO 47 1HG PRO 47 10.707 -3.251 -4.118
317 2HG PRO 47 2HG PRO 47 10.579 -1.503 -3.730
318 1HD PRO 47 1HD PRO 47 11.171 -3.434 -1.839
319 2HD PRO 47 2HD PRO 47 10.296 -1.926 -1.455
320 H CYS 48 H CYS 48 6.427 -5.073 -4.103
321 HA CYS 48 HA CYS 48 8.173 -7.421 -4.715
322 1HB CYS 48 1HB CYS 48 5.235 -6.874 -5.191
323 2HB CYS 48 2HB CYS 48 6.094 -8.270 -5.827
324 H ASP 49 H ASP 49 6.516 -4.675 -6.302
325 HA ASP 49 HA ASP 49 7.356 -5.177 -8.914
326 1HB ASP 49 1HB ASP 49 5.606 -3.616 -8.525
327 2HB ASP 49 2HB ASP 49 6.552 -2.766 -7.292
328 H GLU 50 H GLU 50 9.321 -4.545 -9.978
329 HA GLU 50 HA GLU 50 11.161 -2.775 -8.694
330 1HB GLU 50 1HB GLU 50 11.625 -5.393 -7.991
331 2HB GLU 50 2HB GLU 50 12.475 -5.346 -9.541
332 1HG GLU 50 1HG GLU 50 13.651 -3.230 -8.690
333 2HG GLU 50 2HG GLU 50 12.890 -3.534 -7.122
334 H HIS 51 H HIS 51 12.047 -1.611 -10.394
335 HA HIS 51 HA HIS 51 12.310 -2.760 -13.038
336 1HB HIS 51 1HB HIS 51 9.838 -1.993 -12.792
337 2HB HIS 51 2HB HIS 51 10.452 -0.349 -12.846
338 HD1 HIS 51 HD1 HIS 51 12.148 0.004 -15.231
339 HD2 HIS 51 HD2 HIS 51 9.312 -3.109 -15.029
340 HE1 HIS 51 HE1 HIS 51 11.751 -0.794 -17.631
341 H ASP 52 H ASP 52 11.894 0.590 -11.656
342 HA ASP 52 HA ASP 52 14.544 0.997 -11.013
343 1HB ASP 52 1HB ASP 52 14.454 1.268 -13.727
344 2HB ASP 52 2HB ASP 52 13.822 2.846 -13.286
345 H HIS 53 H HIS 53 14.688 3.506 -10.572
346 HA HIS 53 HA HIS 53 12.032 4.460 -9.558
347 1HB HIS 53 1HB HIS 53 13.575 3.840 -7.747
348 2HB HIS 53 2HB HIS 53 14.741 5.027 -8.330
349 HD1 HIS 53 HD1 HIS 53 10.993 5.105 -7.241
350 HD2 HIS 53 HD2 HIS 53 14.557 7.332 -7.120
351 HE1 HIS 53 HE1 HIS 53 10.493 7.224 -5.882
352 H ASP 54 H ASP 54 11.918 5.123 -11.908
353 HA ASP 54 HA ASP 54 13.297 7.500 -12.764
354 1HB ASP 54 1HB ASP 54 10.571 6.331 -13.480
355 2HB ASP 54 2HB ASP 54 11.307 7.709 -14.298
356 H PHE 55 H PHE 55 12.279 9.743 -12.894
357 HA PHE 55 HA PHE 55 9.996 10.338 -11.291
358 1HB PHE 55 2HB PHE 55 12.264 10.241 -9.797
359 2HB PHE 55 1HB PHE 55 12.490 11.833 -10.494
360 HD1 PHE 55 HD1 PHE 55 10.411 13.483 -10.271
361 HD2 PHE 55 HD2 PHE 55 10.952 9.928 -7.895
362 HE1 PHE 55 HE1 PHE 55 8.872 14.399 -8.549
363 HE2 PHE 55 HE2 PHE 55 9.431 10.848 -6.165
364 HZ PHE 55 HZ PHE 55 8.384 13.086 -6.489
Start of MODEL 9
1 1H PHE 1 1H PHE 1 -15.508 4.875 5.225
2 2H PHE 1 2H PHE 1 -14.958 6.410 4.907
3 3H PHE 1 3H PHE 1 -15.695 5.531 3.724
4 HA PHE 1 HA PHE 1 -13.052 4.907 4.886
5 1HB PHE 1 2HB PHE 1 -13.757 3.345 2.570
6 2HB PHE 1 1HB PHE 1 -13.179 2.916 4.162
7 HD1 PHE 1 HD1 PHE 1 -14.591 2.091 5.943
8 HD2 PHE 1 HD2 PHE 1 -16.239 3.337 2.150
9 HE1 PHE 1 HE1 PHE 1 -16.803 1.183 6.599
10 HE2 PHE 1 HE2 PHE 1 -18.449 2.423 2.816
11 HZ PHE 1 HZ PHE 1 -18.736 1.356 5.044
12 H GLN 2 H GLN 2 -11.796 6.522 4.123
13 HA GLN 2 HA GLN 2 -10.978 6.573 1.602
14 1HB GLN 2 1HB GLN 2 -13.292 8.351 1.683
15 2HB GLN 2 2HB GLN 2 -11.854 9.315 1.477
16 1HG GLN 2 1HG GLN 2 -12.073 8.952 -0.679
17 2HG GLN 2 2HG GLN 2 -11.301 7.407 -0.386
18 1HE2 GLN 2 1HE2 GLN 2 -12.565 5.489 -0.749
19 2HE2 GLN 2 2HE2 GLN 2 -14.227 5.594 -1.339
20 H GLY 3 H GLY 3 -11.533 9.533 3.527
21 1HA GLY 3 1HA GLY 3 -8.699 10.030 3.664
22 2HA GLY 3 2HA GLY 3 -9.986 11.043 4.322
23 H ASN 4 H ASN 4 -11.033 8.750 6.045
24 HA ASN 4 HA ASN 4 -9.317 9.202 8.271
25 1HB ASN 4 1HB ASN 4 -11.881 8.343 8.158
26 2HB ASN 4 2HB ASN 4 -11.078 6.808 8.513
27 1HD2 ASN 4 1HD2 ASN 4 -8.873 7.754 10.125
28 2HD2 ASN 4 2HD2 ASN 4 -9.606 8.410 11.591
29 HA PRO 5 HA PRO 5 -7.177 5.000 7.420
30 1HB PRO 5 1HB PRO 5 -7.444 4.029 4.857
31 2HB PRO 5 2HB PRO 5 -8.310 3.418 6.293
32 1HG PRO 5 1HG PRO 5 -9.199 5.192 4.073
33 2HG PRO 5 2HG PRO 5 -10.128 3.950 4.959
34 1HD PRO 5 1HD PRO 5 -10.372 6.641 5.473
35 2HD PRO 5 2HD PRO 5 -10.598 5.395 6.727
36 H CYS 6 H CYS 6 -7.585 7.067 4.386
37 HA CYS 6 HA CYS 6 -4.632 7.176 4.270
38 1HB CYS 6 1HB CYS 6 -6.825 7.872 2.349
39 2HB CYS 6 2HB CYS 6 -5.232 8.590 2.178
40 H GLU 7 H GLU 7 -4.569 8.304 6.360
41 HA GLU 7 HA GLU 7 -4.062 11.101 5.571
42 1HB GLU 7 1HB GLU 7 -6.004 10.812 7.360
43 2HB GLU 7 2HB GLU 7 -4.673 10.553 8.482
44 1HG GLU 7 1HG GLU 7 -5.167 12.971 6.685
45 2HG GLU 7 2HG GLU 7 -5.357 12.912 8.434
46 H CYS 8 H CYS 8 -1.885 10.964 5.227
47 HA CYS 8 HA CYS 8 -0.016 10.066 7.107
48 1HB CYS 8 1HB CYS 8 -1.212 7.954 5.540
49 2HB CYS 8 2HB CYS 8 0.440 8.154 4.975
50 HA PRO 9 HA PRO 9 2.356 12.434 4.271
51 1HB PRO 9 1HB PRO 9 4.937 11.613 4.501
52 2HB PRO 9 2HB PRO 9 4.044 12.309 5.889
53 1HG PRO 9 1HG PRO 9 4.515 9.379 5.255
54 2HG PRO 9 2HG PRO 9 4.721 10.222 6.821
55 1HD PRO 9 1HD PRO 9 2.469 8.806 6.100
56 2HD PRO 9 2HD PRO 9 2.420 10.183 7.234
57 H ARG 10 H ARG 10 3.454 12.514 2.208
58 HA ARG 10 HA ARG 10 3.043 10.198 0.443
59 1HB ARG 10 1HB ARG 10 4.243 12.971 -0.017
60 2HB ARG 10 2HB ARG 10 3.980 11.767 -1.284
61 1HG ARG 10 1HG ARG 10 1.577 11.862 -1.017
62 2HG ARG 10 2HG ARG 10 1.715 12.898 0.411
63 1HD ARG 10 1HD ARG 10 1.108 14.234 -1.540
64 2HD ARG 10 2HD ARG 10 2.702 14.695 -0.915
65 HE ARG 10 HE ARG 10 2.851 12.708 -3.008
66 1HH1 ARG 10 2HH2 ARG 10 2.495 16.182 -2.487
67 2HH1 ARG 10 1HH2 ARG 10 3.232 16.653 -3.980
68 1HH2 ARG 10 2HH1 ARG 10 3.844 13.302 -5.009
69 2HH2 ARG 10 1HH1 ARG 10 4.001 14.960 -5.450
70 H ALA 11 H ALA 11 4.752 9.480 2.491
71 HA ALA 11 HA ALA 11 7.465 9.616 1.825
72 1HB ALA 11 1HB ALA 11 5.901 7.732 3.637
73 2HB ALA 11 2HB ALA 11 7.672 7.862 3.574
74 3HB ALA 11 3HB ALA 11 6.711 9.242 4.126
75 H LEU 12 H LEU 12 8.516 8.485 0.232
76 HA LEU 12 HA LEU 12 7.264 6.291 -1.185
77 1HB LEU 12 1HB LEU 12 9.769 8.006 -1.309
78 2HB LEU 12 2HB LEU 12 9.689 6.564 -2.271
79 HG LEU 12 HG LEU 12 9.097 8.649 -3.403
80 1HD1 LEU 12 1HD1 LEU 12 7.289 7.643 -4.764
81 2HD1 LEU 12 2HD1 LEU 12 8.478 6.413 -4.310
82 3HD1 LEU 12 3HD1 LEU 12 6.922 6.500 -3.457
83 1HD2 LEU 12 1HD2 LEU 12 7.716 9.787 -1.779
84 2HD2 LEU 12 2HD2 LEU 12 6.885 9.613 -3.326
85 3HD2 LEU 12 3HD2 LEU 12 6.435 8.562 -1.973
86 H HIS 13 H HIS 13 7.492 5.433 1.412
87 HA HIS 13 HA HIS 13 9.962 3.796 1.717
88 1HB HIS 13 1HB HIS 13 7.542 4.126 3.537
89 2HB HIS 13 2HB HIS 13 8.993 3.191 3.902
90 HD1 HIS 13 HD1 HIS 13 10.919 5.729 2.688
91 HD2 HIS 13 HD2 HIS 13 8.019 5.641 5.744
92 HE1 HIS 13 HE1 HIS 13 11.426 7.694 4.246
93 H ARG 14 H ARG 14 9.104 2.907 -0.465
94 HA ARG 14 HA ARG 14 6.738 1.659 -0.876
95 1HB ARG 14 1HB ARG 14 9.485 1.111 -2.032
96 2HB ARG 14 2HB ARG 14 8.083 0.172 -2.563
97 1HG ARG 14 1HG ARG 14 6.891 2.138 -3.278
98 2HG ARG 14 2HG ARG 14 8.130 3.211 -2.606
99 1HD ARG 14 1HD ARG 14 8.330 2.979 -5.041
100 2HD ARG 14 2HD ARG 14 9.781 2.430 -4.187
101 HE ARG 14 HE ARG 14 8.275 0.128 -4.552
102 1HH1 ARG 14 2HH2 ARG 14 9.635 2.678 -6.620
103 2HH1 ARG 14 1HH2 ARG 14 10.031 1.637 -7.963
104 1HH2 ARG 14 2HH1 ARG 14 8.898 -1.380 -6.565
105 2HH2 ARG 14 1HH1 ARG 14 9.503 -0.495 -7.905
106 H VAL 15 H VAL 15 5.706 -0.245 -0.751
107 HA VAL 15 HA VAL 15 7.033 -2.631 0.355
108 HB VAL 15 HB VAL 15 5.372 -2.949 2.034
109 1HG1 VAL 15 1HG1 VAL 15 6.261 -0.095 2.272
110 2HG1 VAL 15 2HG1 VAL 15 5.898 -1.223 3.583
111 3HG1 VAL 15 3HG1 VAL 15 7.329 -1.491 2.552
112 1HG2 VAL 15 1HG2 VAL 15 3.372 -1.897 0.933
113 2HG2 VAL 15 2HG2 VAL 15 3.621 -1.361 2.573
114 3HG2 VAL 15 3HG2 VAL 15 4.084 -0.297 1.221
115 H CYS 16 H CYS 16 5.217 -4.547 0.337
116 HA CYS 16 HA CYS 16 3.309 -4.015 -1.891
117 1HB CYS 16 1HB CYS 16 5.156 -5.285 -2.639
118 2HB CYS 16 2HB CYS 16 5.029 -6.433 -1.301
119 H GLY 17 H GLY 17 1.334 -4.903 -1.819
120 1HA GLY 17 1HA GLY 17 0.493 -6.132 0.757
121 2HA GLY 17 2HA GLY 17 -0.588 -5.432 -0.423
122 H SER 18 H SER 18 -0.707 -7.988 0.675
123 HA SER 18 HA SER 18 -0.069 -10.124 -0.850
124 1HB SER 18 1HB SER 18 -1.962 -11.232 0.163
125 2HB SER 18 2HB SER 18 -1.390 -10.012 1.265
126 HG SER 18 HG SER 18 -3.832 -10.119 0.215
127 H ASP 19 H ASP 19 -2.075 -7.599 -1.992
128 HA ASP 19 HA ASP 19 -3.336 -8.795 -4.170
129 1HB ASP 19 1HB ASP 19 -2.071 -6.034 -4.078
130 2HB ASP 19 2HB ASP 19 -3.543 -6.472 -4.933
131 H GLY 20 H GLY 20 0.139 -8.352 -3.626
132 1HA GLY 20 1HA GLY 20 1.916 -8.736 -4.999
133 2HA GLY 20 2HA GLY 20 0.864 -8.789 -6.424
134 H ASN 21 H ASN 21 -0.303 -6.185 -4.766
135 HA ASN 21 HA ASN 21 0.795 -4.421 -6.638
136 1HB ASN 21 1HB ASN 21 -1.654 -4.635 -5.833
137 2HB ASN 21 2HB ASN 21 -1.147 -3.660 -4.440
138 1HD2 ASN 21 1HD2 ASN 21 -3.158 -2.708 -6.032
139 2HD2 ASN 21 2HD2 ASN 21 -2.544 -1.449 -7.095
140 H THR 22 H THR 22 2.847 -3.388 -6.182
141 HA THR 22 HA THR 22 3.616 -2.925 -3.545
142 HB THR 22 HB THR 22 4.548 -1.498 -6.032
143 HG1 THR 22 HG1 THR 22 4.812 -3.574 -6.304
144 1HG2 THR 22 1HG2 THR 22 5.326 -0.378 -3.864
145 2HG2 THR 22 2HG2 THR 22 6.093 -1.918 -3.442
146 3HG2 THR 22 3HG2 THR 22 6.619 -1.051 -4.874
147 H TYR 23 H TYR 23 3.525 -1.015 -2.266
148 HA TYR 23 HA TYR 23 1.672 1.153 -3.104
149 1HB TYR 23 1HB TYR 23 1.980 -0.261 -0.416
150 2HB TYR 23 2HB TYR 23 1.238 1.309 -0.594
151 HD1 TYR 23 HD1 TYR 23 -0.990 1.598 -1.496
152 HD2 TYR 23 HD2 TYR 23 0.816 -2.314 -1.337
153 HE1 TYR 23 HE1 TYR 23 -3.200 0.577 -1.871
154 HE2 TYR 23 HE2 TYR 23 -1.411 -3.356 -1.720
155 HH TYR 23 HH TYR 23 -4.347 -1.389 -2.299
156 H SER 24 H SER 24 2.476 3.252 -2.561
157 HA SER 24 HA SER 24 5.199 3.603 -2.540
158 1HB SER 24 1HB SER 24 3.246 5.612 -1.405
159 2HB SER 24 2HB SER 24 4.725 5.916 -2.325
160 HG SER 24 HG SER 24 2.767 6.120 -3.569
161 H ASN 25 H ASN 25 3.130 2.980 0.233
162 HA ASN 25 HA ASN 25 5.316 2.619 1.982
163 1HB ASN 25 1HB ASN 25 4.515 4.295 3.729
164 2HB ASN 25 2HB ASN 25 5.287 5.001 2.337
165 1HD2 ASN 25 1HD2 ASN 25 4.209 6.709 1.452
166 2HD2 ASN 25 2HD2 ASN 25 2.519 7.109 1.806
167 HA PRO 26 HA PRO 26 2.260 -0.117 3.481
168 1HB PRO 26 1HB PRO 26 2.791 -0.513 6.128
169 2HB PRO 26 2HB PRO 26 3.874 -1.046 4.813
170 1HG PRO 26 1HG PRO 26 4.128 1.434 6.490
171 2HG PRO 26 2HG PRO 26 5.395 0.243 6.031
172 1HD PRO 26 1HD PRO 26 5.033 2.599 4.733
173 2HD PRO 26 2HD PRO 26 5.598 1.145 3.893
174 H CYS 27 H CYS 27 2.257 3.109 4.701
175 HA CYS 27 HA CYS 27 -0.178 2.946 6.223
176 1HB CYS 27 1HB CYS 27 1.696 4.800 6.137
177 2HB CYS 27 2HB CYS 27 0.719 5.466 4.837
178 H MET 28 H MET 28 0.617 3.721 2.798
179 HA MET 28 HA MET 28 -2.103 4.180 1.993
180 1HB MET 28 1HB MET 28 0.330 3.295 0.407
181 2HB MET 28 2HB MET 28 -1.263 3.586 -0.315
182 1HG MET 28 1HG MET 28 -1.287 5.882 0.500
183 2HG MET 28 2HG MET 28 0.248 5.637 1.328
184 1HE MET 28 1HE MET 28 -1.563 5.914 -2.148
185 2HE MET 28 2HE MET 28 -0.204 5.836 -3.293
186 3HE MET 28 3HE MET 28 -0.686 4.383 -2.398
187 H LEU 29 H LEU 29 -0.207 1.138 2.136
188 HA LEU 29 HA LEU 29 -2.205 -0.626 1.129
189 1HB LEU 29 1HB LEU 29 -0.200 -1.491 1.288
190 2HB LEU 29 2HB LEU 29 0.233 -0.854 2.852
191 HG LEU 29 HG LEU 29 -1.712 -3.090 2.658
192 1HD1 LEU 29 1HD1 LEU 29 1.328 -3.216 2.511
193 2HD1 LEU 29 2HD1 LEU 29 0.290 -4.640 2.694
194 3HD1 LEU 29 3HD1 LEU 29 0.215 -3.675 1.218
195 1HD2 LEU 29 1HD2 LEU 29 0.151 -2.140 4.817
196 2HD2 LEU 29 2HD2 LEU 29 -1.568 -2.611 4.917
197 3HD2 LEU 29 3HD2 LEU 29 -0.335 -3.837 4.743
198 H THR 30 H THR 30 -1.312 -0.057 4.502
199 HA THR 30 HA THR 30 -3.617 -1.362 5.479
200 HB THR 30 HB THR 30 -1.482 -0.452 6.695
201 HG1 THR 30 HG1 THR 30 -2.502 -0.979 8.601
202 1HG2 THR 30 1HG2 THR 30 -2.156 1.881 6.501
203 2HG2 THR 30 2HG2 THR 30 -3.552 1.563 7.557
204 3HG2 THR 30 3HG2 THR 30 -1.886 1.364 8.179
205 H CYS 31 H CYS 31 -3.299 2.148 4.594
206 HA CYS 31 HA CYS 31 -5.726 2.938 5.371
207 1HB CYS 31 1HB CYS 31 -4.480 4.678 4.390
208 2HB CYS 31 2HB CYS 31 -3.976 3.680 3.042
209 H ALA 32 H ALA 32 -4.959 1.766 2.078
210 HA ALA 32 HA ALA 32 -7.408 1.323 0.922
211 1HB ALA 32 1HB ALA 32 -6.332 -0.407 -0.375
212 2HB ALA 32 2HB ALA 32 -5.231 0.992 -0.142
213 3HB ALA 32 3HB ALA 32 -4.998 -0.507 0.784
214 H LYS 33 H LYS 33 -5.711 -0.787 3.065
215 HA LYS 33 HA LYS 33 -7.330 -3.118 2.981
216 1HB LYS 33 1HB LYS 33 -5.012 -2.919 3.947
217 2HB LYS 33 2HB LYS 33 -5.732 -2.168 5.372
218 1HG LYS 33 1HG LYS 33 -7.099 -4.111 5.801
219 2HG LYS 33 2HG LYS 33 -6.531 -4.885 4.307
220 1HD LYS 33 1HD LYS 33 -4.345 -5.159 5.065
221 2HD LYS 33 2HD LYS 33 -4.535 -4.102 6.391
222 1HE LYS 33 1HE LYS 33 -6.259 -6.563 6.018
223 2HE LYS 33 2HE LYS 33 -4.700 -6.656 6.828
224 1HZ LYS 33 1HZ LYS 33 -5.566 -5.070 8.483
225 2HZ LYS 33 2HZ LYS 33 -7.016 -5.028 7.704
226 3HZ LYS 33 3HZ LYS 33 -6.510 -6.423 8.410
227 H HIS 34 H HIS 34 -7.292 -0.599 5.463
228 HA HIS 34 HA HIS 34 -9.751 -1.429 6.729
229 1HB HIS 34 1HB HIS 34 -8.036 1.091 6.774
230 2HB HIS 34 2HB HIS 34 -9.466 0.881 7.745
231 HD1 HIS 34 HD1 HIS 34 -5.857 -0.213 7.438
232 HD2 HIS 34 HD2 HIS 34 -9.265 -1.213 9.695
233 HE1 HIS 34 HE1 HIS 34 -5.050 -1.706 9.367
234 H GLU 35 H GLU 35 -8.930 0.724 4.096
235 HA GLU 35 HA GLU 35 -11.376 2.146 4.095
236 1HB GLU 35 1HB GLU 35 -9.128 2.695 2.923
237 2HB GLU 35 2HB GLU 35 -9.789 1.827 1.556
238 1HG GLU 35 1HG GLU 35 -11.373 4.031 2.828
239 2HG GLU 35 2HG GLU 35 -9.937 4.457 1.934
240 H GLY 36 H GLY 36 -10.329 -0.523 1.923
241 1HA GLY 36 1HA GLY 36 -12.985 -1.746 1.961
242 2HA GLY 36 2HA GLY 36 -12.604 -0.920 0.449
243 H ASN 37 H ASN 37 -9.955 -2.523 2.236
244 HA ASN 37 HA ASN 37 -10.097 -4.837 0.336
245 1HB ASN 37 1HB ASN 37 -8.290 -2.917 -0.220
246 2HB ASN 37 2HB ASN 37 -7.422 -3.617 1.058
247 1HD2 ASN 37 1HD2 ASN 37 -6.368 -3.609 -1.451
248 2HD2 ASN 37 2HD2 ASN 37 -6.197 -5.252 -2.000
249 HA PRO 38 HA PRO 38 -9.624 -5.699 4.934
250 1HB PRO 38 1HB PRO 38 -11.538 -7.675 5.231
251 2HB PRO 38 2HB PRO 38 -11.855 -5.920 5.389
252 1HG PRO 38 1HG PRO 38 -12.260 -7.676 2.947
253 2HG PRO 38 2HG PRO 38 -13.408 -6.499 3.665
254 1HD PRO 38 1HD PRO 38 -11.867 -5.832 1.539
255 2HD PRO 38 2HD PRO 38 -12.147 -4.652 2.859
256 H ASP 39 H ASP 39 -9.542 -7.605 2.074
257 HA ASP 39 HA ASP 39 -8.350 -10.038 3.078
258 1HB ASP 39 1HB ASP 39 -9.645 -9.051 0.745
259 2HB ASP 39 2HB ASP 39 -8.012 -9.366 0.224
260 H LEU 40 H LEU 40 -7.114 -6.872 2.273
261 HA LEU 40 HA LEU 40 -4.503 -7.715 1.222
262 1HB LEU 40 1HB LEU 40 -5.168 -5.679 0.363
263 2HB LEU 40 2HB LEU 40 -5.958 -5.188 1.865
264 HG LEU 40 HG LEU 40 -3.986 -4.656 2.902
265 1HD1 LEU 40 1HD1 LEU 40 -2.109 -4.312 0.758
266 2HD1 LEU 40 2HD1 LEU 40 -1.948 -5.231 2.280
267 3HD1 LEU 40 3HD1 LEU 40 -2.601 -6.005 0.814
268 1HD2 LEU 40 1HD2 LEU 40 -4.307 -3.370 0.147
269 2HD2 LEU 40 2HD2 LEU 40 -5.179 -2.907 1.607
270 3HD2 LEU 40 3HD2 LEU 40 -3.439 -2.596 1.463
271 H VAL 41 H VAL 41 -2.603 -7.516 2.422
272 HA VAL 41 HA VAL 41 -2.604 -6.976 5.251
273 HB VAL 41 HB VAL 41 -1.563 -9.171 5.738
274 1HG1 VAL 41 1HG1 VAL 41 -4.299 -9.652 4.550
275 2HG1 VAL 41 2HG1 VAL 41 -3.523 -10.479 5.901
276 3HG1 VAL 41 3HG1 VAL 41 -4.022 -8.777 6.087
277 1HG2 VAL 41 1HG2 VAL 41 -1.777 -11.071 4.247
278 2HG2 VAL 41 2HG2 VAL 41 -2.584 -10.083 3.026
279 3HG2 VAL 41 3HG2 VAL 41 -0.863 -9.801 3.443
280 H GLN 42 H GLN 42 -0.330 -6.941 6.030
281 HA GLN 42 HA GLN 42 1.558 -6.098 3.994
282 1HB GLN 42 1HB GLN 42 1.313 -5.107 6.367
283 2HB GLN 42 2HB GLN 42 2.143 -6.541 6.952
284 1HG GLN 42 1HG GLN 42 3.832 -4.857 6.607
285 2HG GLN 42 2HG GLN 42 4.023 -5.994 5.272
286 1HE2 GLN 42 1HE2 GLN 42 4.131 -4.981 3.150
287 2HE2 GLN 42 2HE2 GLN 42 3.345 -3.450 2.865
288 H VAL 43 H VAL 43 1.503 -8.122 2.793
289 HA VAL 43 HA VAL 43 2.361 -10.619 3.646
290 HB VAL 43 HB VAL 43 3.354 -10.732 1.198
291 1HG1 VAL 43 1HG1 VAL 43 0.441 -10.408 1.858
292 2HG1 VAL 43 2HG1 VAL 43 1.108 -11.256 0.417
293 3HG1 VAL 43 3HG1 VAL 43 1.381 -11.890 2.032
294 1HG2 VAL 43 1HG2 VAL 43 3.273 -8.298 0.717
295 2HG2 VAL 43 2HG2 VAL 43 2.157 -9.191 -0.328
296 3HG2 VAL 43 3HG2 VAL 43 1.542 -8.274 1.066
297 H HIS 44 H HIS 44 4.241 -7.759 2.678
298 HA HIS 44 HA HIS 44 6.439 -8.486 4.387
299 1HB HIS 44 1HB HIS 44 7.717 -7.666 1.958
300 2HB HIS 44 2HB HIS 44 7.971 -9.132 2.885
301 HD1 HIS 44 HD1 HIS 44 6.116 -11.175 2.092
302 HD2 HIS 44 HD2 HIS 44 6.896 -7.949 -0.489
303 HE1 HIS 44 HE1 HIS 44 5.486 -11.957 -0.290
304 H GLU 45 H GLU 45 7.438 -6.493 5.043
305 HA GLU 45 HA GLU 45 6.195 -4.018 4.037
306 1HB GLU 45 1HB GLU 45 6.556 -4.593 6.506
307 2HB GLU 45 2HB GLU 45 8.271 -4.238 6.238
308 1HG GLU 45 1HG GLU 45 7.673 -1.958 5.474
309 2HG GLU 45 2HG GLU 45 5.959 -2.381 5.514
310 H GLY 46 H GLY 46 7.250 -5.036 1.987
311 1HA GLY 46 1HA GLY 46 9.400 -3.358 1.114
312 2HA GLY 46 2HA GLY 46 9.910 -5.058 1.269
313 HA PRO 47 HA PRO 47 7.032 -3.915 -2.355
314 1HB PRO 47 1HB PRO 47 8.570 -3.238 -4.461
315 2HB PRO 47 2HB PRO 47 8.348 -2.142 -3.061
316 1HG PRO 47 1HG PRO 47 10.660 -4.064 -3.518
317 2HG PRO 47 2HG PRO 47 10.743 -2.302 -3.181
318 1HD PRO 47 1HD PRO 47 10.936 -4.132 -1.173
319 2HD PRO 47 2HD PRO 47 10.043 -2.597 -0.942
320 H CYS 48 H CYS 48 6.306 -4.998 -4.201
321 HA CYS 48 HA CYS 48 7.366 -7.705 -4.772
322 1HB CYS 48 1HB CYS 48 4.736 -6.274 -5.336
323 2HB CYS 48 2HB CYS 48 5.116 -7.793 -6.101
324 H ASP 49 H ASP 49 6.287 -4.666 -6.368
325 HA ASP 49 HA ASP 49 7.327 -5.311 -8.879
326 1HB ASP 49 1HB ASP 49 6.388 -2.632 -7.787
327 2HB ASP 49 2HB ASP 49 6.600 -3.051 -9.485
328 H GLU 50 H GLU 50 9.278 -4.543 -9.855
329 HA GLU 50 HA GLU 50 10.714 -2.344 -8.751
330 1HB GLU 50 1HB GLU 50 12.803 -3.369 -8.348
331 2HB GLU 50 2HB GLU 50 11.627 -4.201 -7.343
332 1HG GLU 50 1HG GLU 50 11.595 -6.120 -8.888
333 2HG GLU 50 2HG GLU 50 12.655 -5.270 -10.019
334 H HIS 51 H HIS 51 12.872 -2.295 -10.174
335 HA HIS 51 HA HIS 51 13.068 -2.593 -12.891
336 1HB HIS 51 1HB HIS 51 10.833 -1.945 -13.406
337 2HB HIS 51 2HB HIS 51 10.762 -0.773 -12.091
338 HD1 HIS 51 HD1 HIS 51 11.553 1.729 -12.604
339 HD2 HIS 51 HD2 HIS 51 12.149 -1.122 -15.695
340 HE1 HIS 51 HE1 HIS 51 12.204 3.014 -14.700
341 H ASP 52 H ASP 52 12.497 -0.206 -10.359
342 HA ASP 52 HA ASP 52 14.136 1.780 -11.378
343 1HB ASP 52 1HB ASP 52 13.141 1.547 -8.518
344 2HB ASP 52 2HB ASP 52 13.485 3.023 -9.431
345 H HIS 53 H HIS 53 16.325 1.819 -11.411
346 HA HIS 53 HA HIS 53 17.887 0.911 -9.042
347 1HB HIS 53 1HB HIS 53 18.472 0.352 -11.977
348 2HB HIS 53 2HB HIS 53 19.623 0.135 -10.661
349 HD1 HIS 53 HD1 HIS 53 16.506 -1.133 -9.258
350 HD2 HIS 53 HD2 HIS 53 19.354 -2.425 -12.083
351 HE1 HIS 53 HE1 HIS 53 16.299 -3.699 -9.407
352 H ASP 54 H ASP 54 17.566 3.187 -8.537
353 HA ASP 54 HA ASP 54 18.581 5.322 -10.181
354 1HB ASP 54 1HB ASP 54 16.874 5.533 -8.360
355 2HB ASP 54 2HB ASP 54 18.130 5.187 -7.168
356 H PHE 55 H PHE 55 20.042 3.129 -7.746
357 HA PHE 55 HA PHE 55 22.659 3.666 -8.648
358 1HB PHE 55 2HB PHE 55 22.248 5.421 -6.790
359 2HB PHE 55 1HB PHE 55 22.057 4.067 -5.683
360 HD1 PHE 55 HD1 PHE 55 24.026 2.761 -4.973
361 HD2 PHE 55 HD2 PHE 55 24.402 5.909 -7.883
362 HE1 PHE 55 HE1 PHE 55 26.493 2.733 -4.680
363 HE2 PHE 55 HE2 PHE 55 26.873 5.875 -7.606
364 HZ PHE 55 HZ PHE 55 27.922 4.288 -6.000
Start of MODEL 10
1 1H PHE 1 1H PHE 1 -15.379 4.916 6.067
2 2H PHE 1 2H PHE 1 -14.805 6.462 5.979
3 3H PHE 1 3H PHE 1 -15.726 5.841 4.748
4 HA PHE 1 HA PHE 1 -12.989 5.056 5.489
5 1HB PHE 1 2HB PHE 1 -14.019 3.679 3.139
6 2HB PHE 1 1HB PHE 1 -13.043 3.256 4.475
7 HD1 PHE 1 HD1 PHE 1 -16.298 2.843 3.060
8 HD2 PHE 1 HD2 PHE 1 -14.020 2.634 6.726
9 HE1 PHE 1 HE1 PHE 1 -18.026 1.364 4.061
10 HE2 PHE 1 HE2 PHE 1 -15.757 1.180 7.722
11 HZ PHE 1 HZ PHE 1 -17.752 0.529 6.389
12 H GLN 2 H GLN 2 -12.624 7.360 5.208
13 HA GLN 2 HA GLN 2 -11.087 7.517 2.934
14 1HB GLN 2 1HB GLN 2 -13.369 8.166 1.837
15 2HB GLN 2 2HB GLN 2 -13.285 9.611 2.817
16 1HG GLN 2 1HG GLN 2 -10.756 9.246 1.450
17 2HG GLN 2 2HG GLN 2 -12.048 8.921 0.302
18 1HE2 GLN 2 1HE2 GLN 2 -10.083 11.416 1.341
19 2HE2 GLN 2 2HE2 GLN 2 -11.206 12.743 1.056
20 H GLY 3 H GLY 3 -9.403 8.888 3.650
21 1HA GLY 3 1HA GLY 3 -8.288 10.566 4.792
22 2HA GLY 3 2HA GLY 3 -9.843 11.244 5.293
23 H ASN 4 H ASN 4 -10.875 9.003 6.660
24 HA ASN 4 HA ASN 4 -9.553 8.994 9.194
25 1HB ASN 4 1HB ASN 4 -11.109 6.571 9.001
26 2HB ASN 4 2HB ASN 4 -11.433 8.020 9.902
27 1HD2 ASN 4 1HD2 ASN 4 -12.789 9.705 8.906
28 2HD2 ASN 4 2HD2 ASN 4 -13.784 9.322 7.517
29 HA PRO 5 HA PRO 5 -7.378 4.857 7.944
30 1HB PRO 5 1HB PRO 5 -7.450 4.118 5.330
31 2HB PRO 5 2HB PRO 5 -8.582 3.529 6.564
32 1HG PRO 5 1HG PRO 5 -8.923 5.703 4.477
33 2HG PRO 5 2HG PRO 5 -10.093 4.439 4.983
34 1HD PRO 5 1HD PRO 5 -10.243 6.967 5.875
35 2HD PRO 5 2HD PRO 5 -10.652 5.569 6.909
36 H CYS 6 H CYS 6 -7.340 7.516 5.501
37 HA CYS 6 HA CYS 6 -4.386 7.127 5.242
38 1HB CYS 6 1HB CYS 6 -6.475 8.101 3.317
39 2HB CYS 6 2HB CYS 6 -4.843 8.730 3.223
40 H GLU 7 H GLU 7 -3.780 8.273 7.057
41 HA GLU 7 HA GLU 7 -4.137 11.234 6.911
42 1HB GLU 7 1HB GLU 7 -5.074 9.790 8.861
43 2HB GLU 7 2HB GLU 7 -3.394 9.630 9.372
44 1HG GLU 7 1HG GLU 7 -3.247 12.118 9.573
45 2HG GLU 7 2HG GLU 7 -4.890 12.261 8.945
46 H CYS 8 H CYS 8 -2.048 9.073 5.855
47 HA CYS 8 HA CYS 8 0.399 9.816 7.265
48 1HB CYS 8 1HB CYS 8 -0.575 7.616 5.516
49 2HB CYS 8 2HB CYS 8 1.122 7.985 5.333
50 HA PRO 9 HA PRO 9 2.152 12.355 4.191
51 1HB PRO 9 1HB PRO 9 4.822 12.077 4.509
52 2HB PRO 9 2HB PRO 9 3.786 12.560 5.886
53 1HG PRO 9 1HG PRO 9 4.835 9.787 5.238
54 2HG PRO 9 2HG PRO 9 4.880 10.649 6.808
55 1HD PRO 9 1HD PRO 9 2.931 8.831 6.043
56 2HD PRO 9 2HD PRO 9 2.642 10.101 7.246
57 H ARG 10 H ARG 10 3.527 12.521 2.273
58 HA ARG 10 HA ARG 10 3.462 10.223 0.461
59 1HB ARG 10 1HB ARG 10 4.190 13.161 0.253
60 2HB ARG 10 2HB ARG 10 4.711 12.045 -1.017
61 1HG ARG 10 1HG ARG 10 2.471 11.320 -1.465
62 2HG ARG 10 2HG ARG 10 1.811 12.356 -0.184
63 1HD ARG 10 1HD ARG 10 2.118 14.309 -1.407
64 2HD ARG 10 2HD ARG 10 3.580 13.709 -2.186
65 HE ARG 10 HE ARG 10 2.423 13.039 -3.953
66 1HH1 ARG 10 2HH2 ARG 10 0.064 13.304 -1.344
67 2HH1 ARG 10 1HH2 ARG 10 -1.313 12.939 -2.327
68 1HH2 ARG 10 2HH1 ARG 10 0.624 12.559 -5.294
69 2HH2 ARG 10 1HH1 ARG 10 -0.971 12.514 -4.641
70 H ALA 11 H ALA 11 4.975 9.500 2.660
71 HA ALA 11 HA ALA 11 7.712 9.553 2.047
72 1HB ALA 11 1HB ALA 11 6.018 7.760 3.808
73 2HB ALA 11 2HB ALA 11 7.782 7.583 3.633
74 3HB ALA 11 3HB ALA 11 7.119 9.075 4.313
75 H LEU 12 H LEU 12 8.600 8.532 0.326
76 HA LEU 12 HA LEU 12 7.248 6.594 -1.328
77 1HB LEU 12 1HB LEU 12 9.892 8.058 -1.207
78 2HB LEU 12 2HB LEU 12 9.755 6.723 -2.295
79 HG LEU 12 HG LEU 12 9.397 8.993 -3.228
80 1HD1 LEU 12 1HD1 LEU 12 7.779 8.216 -4.871
81 2HD1 LEU 12 2HD1 LEU 12 8.812 6.866 -4.400
82 3HD1 LEU 12 3HD1 LEU 12 7.163 6.983 -3.745
83 1HD2 LEU 12 1HD2 LEU 12 7.185 10.001 -3.225
84 2HD2 LEU 12 2HD2 LEU 12 6.603 8.806 -2.051
85 3HD2 LEU 12 3HD2 LEU 12 7.877 9.971 -1.600
86 H HIS 13 H HIS 13 7.310 5.433 1.153
87 HA HIS 13 HA HIS 13 9.565 3.482 1.312
88 1HB HIS 13 1HB HIS 13 7.189 4.174 3.059
89 2HB HIS 13 2HB HIS 13 7.838 2.541 3.130
90 HD1 HIS 13 HD1 HIS 13 9.389 2.157 4.993
91 HD2 HIS 13 HD2 HIS 13 9.668 6.001 3.223
92 HE1 HIS 13 HE1 HIS 13 11.257 3.482 6.248
93 H ARG 14 H ARG 14 8.890 2.923 -1.125
94 HA ARG 14 HA ARG 14 6.346 1.800 -1.587
95 1HB ARG 14 1HB ARG 14 8.985 1.153 -2.962
96 2HB ARG 14 2HB ARG 14 7.409 0.529 -3.462
97 1HG ARG 14 1HG ARG 14 6.552 2.805 -3.826
98 2HG ARG 14 2HG ARG 14 8.114 3.486 -3.336
99 1HD ARG 14 1HD ARG 14 7.907 3.413 -5.783
100 2HD ARG 14 2HD ARG 14 9.229 2.372 -5.225
101 HE ARG 14 HE ARG 14 6.937 0.770 -5.366
102 1HH1 ARG 14 2HH2 ARG 14 9.003 2.570 -7.635
103 2HH1 ARG 14 1HH2 ARG 14 8.779 1.473 -8.958
104 1HH2 ARG 14 2HH1 ARG 14 6.668 -0.734 -7.200
105 2HH2 ARG 14 1HH1 ARG 14 7.498 -0.461 -8.672
106 H VAL 15 H VAL 15 5.350 -0.144 -1.257
107 HA VAL 15 HA VAL 15 6.920 -2.360 -0.056
108 HB VAL 15 HB VAL 15 5.273 -2.774 1.624
109 1HG1 VAL 15 1HG1 VAL 15 5.814 -1.082 3.106
110 2HG1 VAL 15 2HG1 VAL 15 7.123 -0.982 1.907
111 3HG1 VAL 15 3HG1 VAL 15 5.756 0.142 1.837
112 1HG2 VAL 15 1HG2 VAL 15 3.424 -1.153 2.050
113 2HG2 VAL 15 2HG2 VAL 15 3.766 -0.365 0.493
114 3HG2 VAL 15 3HG2 VAL 15 3.194 -2.047 0.564
115 H CYS 16 H CYS 16 5.649 -4.424 -0.023
116 HA CYS 16 HA CYS 16 3.861 -4.651 -2.394
117 1HB CYS 16 1HB CYS 16 5.917 -5.862 -2.301
118 2HB CYS 16 2HB CYS 16 5.564 -6.526 -0.765
119 H GLY 17 H GLY 17 1.722 -5.258 -2.198
120 1HA GLY 17 1HA GLY 17 0.737 -6.358 0.396
121 2HA GLY 17 2HA GLY 17 -0.261 -5.792 -0.949
122 H SER 18 H SER 18 -0.428 -8.297 0.241
123 HA SER 18 HA SER 18 0.793 -10.419 -0.483
124 1HB SER 18 1HB SER 18 -1.155 -11.698 0.036
125 2HB SER 18 2HB SER 18 -1.266 -10.183 0.897
126 HG SER 18 HG SER 18 -3.125 -9.910 -0.026
127 H ASP 19 H ASP 19 -1.342 -9.007 -2.874
128 HA ASP 19 HA ASP 19 -1.196 -11.184 -4.748
129 1HB ASP 19 1HB ASP 19 -2.443 -8.565 -4.539
130 2HB ASP 19 2HB ASP 19 -1.592 -8.626 -6.069
131 H GLY 20 H GLY 20 1.352 -9.395 -3.677
132 1HA GLY 20 1HA GLY 20 3.486 -8.998 -4.641
133 2HA GLY 20 2HA GLY 20 2.862 -9.348 -6.242
134 H ASN 21 H ASN 21 0.599 -7.426 -4.654
135 HA ASN 21 HA ASN 21 0.903 -5.473 -6.622
136 1HB ASN 21 1HB ASN 21 -1.238 -6.495 -5.589
137 2HB ASN 21 2HB ASN 21 -1.069 -5.269 -4.336
138 1HD2 ASN 21 1HD2 ASN 21 -2.950 -5.803 -6.855
139 2HD2 ASN 21 2HD2 ASN 21 -2.999 -4.187 -7.550
140 H THR 22 H THR 22 2.684 -4.015 -6.339
141 HA THR 22 HA THR 22 3.473 -3.188 -3.817
142 HB THR 22 HB THR 22 4.070 -1.784 -6.430
143 HG1 THR 22 HG1 THR 22 5.085 -3.519 -6.895
144 1HG2 THR 22 1HG2 THR 22 6.209 -1.176 -5.364
145 2HG2 THR 22 2HG2 THR 22 4.879 -0.558 -4.357
146 3HG2 THR 22 3HG2 THR 22 5.761 -2.023 -3.904
147 H TYR 23 H TYR 23 3.227 -1.279 -2.641
148 HA TYR 23 HA TYR 23 1.233 0.764 -3.468
149 1HB TYR 23 1HB TYR 23 1.656 -0.601 -0.780
150 2HB TYR 23 2HB TYR 23 0.989 1.010 -0.881
151 HD1 TYR 23 HD1 TYR 23 -1.300 1.412 -1.464
152 HD2 TYR 23 HD2 TYR 23 0.380 -2.543 -1.837
153 HE1 TYR 23 HE1 TYR 23 -3.560 0.500 -1.841
154 HE2 TYR 23 HE2 TYR 23 -1.885 -3.469 -2.227
155 HH TYR 23 HH TYR 23 -4.724 -1.378 -2.649
156 H SER 24 H SER 24 1.798 2.891 -2.869
157 HA SER 24 HA SER 24 4.434 3.649 -2.984
158 1HB SER 24 1HB SER 24 2.262 5.302 -1.690
159 2HB SER 24 2HB SER 24 3.607 5.859 -2.681
160 HG SER 24 HG SER 24 2.606 5.100 -4.496
161 H ASN 25 H ASN 25 2.532 2.894 -0.069
162 HA ASN 25 HA ASN 25 4.830 2.620 1.511
163 1HB ASN 25 1HB ASN 25 4.210 4.285 3.315
164 2HB ASN 25 2HB ASN 25 4.964 4.904 1.890
165 1HD2 ASN 25 1HD2 ASN 25 4.204 6.880 1.595
166 2HD2 ASN 25 2HD2 ASN 25 2.582 7.457 1.956
167 HA PRO 26 HA PRO 26 2.106 -0.174 3.368
168 1HB PRO 26 1HB PRO 26 2.952 -0.487 5.949
169 2HB PRO 26 2HB PRO 26 3.860 -1.074 4.524
170 1HG PRO 26 1HG PRO 26 4.345 1.392 6.176
171 2HG PRO 26 2HG PRO 26 5.535 0.268 5.456
172 1HD PRO 26 1HD PRO 26 4.784 2.705 4.411
173 2HD PRO 26 2HD PRO 26 5.474 1.407 3.437
174 H CYS 27 H CYS 27 2.302 3.013 4.770
175 HA CYS 27 HA CYS 27 -0.006 2.815 6.428
176 1HB CYS 27 1HB CYS 27 1.859 4.666 6.287
177 2HB CYS 27 2HB CYS 27 0.846 5.342 5.019
178 H MET 28 H MET 28 0.452 3.901 2.980
179 HA MET 28 HA MET 28 -2.325 4.229 2.459
180 1HB MET 28 1HB MET 28 0.011 3.664 0.628
181 2HB MET 28 2HB MET 28 -1.657 3.685 0.045
182 1HG MET 28 1HG MET 28 -1.498 6.010 1.603
183 2HG MET 28 2HG MET 28 0.050 5.957 0.779
184 1HE MET 28 1HE MET 28 0.315 6.087 -1.902
185 2HE MET 28 2HE MET 28 -0.608 4.564 -1.987
186 3HE MET 28 3HE MET 28 -1.055 5.936 -3.019
187 H LEU 29 H LEU 29 -0.368 1.237 2.382
188 HA LEU 29 HA LEU 29 -2.426 -0.464 1.326
189 1HB LEU 29 1HB LEU 29 -0.279 -1.205 1.380
190 2HB LEU 29 2HB LEU 29 -0.075 -0.974 3.143
191 HG LEU 29 HG LEU 29 -1.603 -3.020 1.786
192 1HD1 LEU 29 1HD1 LEU 29 0.265 -4.554 2.318
193 2HD1 LEU 29 2HD1 LEU 29 0.750 -3.230 1.252
194 3HD1 LEU 29 3HD1 LEU 29 1.138 -3.146 2.968
195 1HD2 LEU 29 1HD2 LEU 29 -0.809 -2.732 4.724
196 2HD2 LEU 29 2HD2 LEU 29 -2.465 -2.905 4.081
197 3HD2 LEU 29 3HD2 LEU 29 -1.360 -4.264 4.054
198 H THR 30 H THR 30 -1.419 -0.188 4.734
199 HA THR 30 HA THR 30 -3.735 -1.473 5.697
200 HB THR 30 HB THR 30 -1.667 -0.712 7.000
201 HG1 THR 30 HG1 THR 30 -2.886 -0.932 8.950
202 1HG2 THR 30 1HG2 THR 30 -3.500 1.543 7.766
203 2HG2 THR 30 2HG2 THR 30 -1.884 1.175 8.432
204 3HG2 THR 30 3HG2 THR 30 -2.053 1.663 6.736
205 H CYS 31 H CYS 31 -3.396 2.116 5.140
206 HA CYS 31 HA CYS 31 -5.778 2.899 5.837
207 1HB CYS 31 1HB CYS 31 -4.326 4.579 4.956
208 2HB CYS 31 2HB CYS 31 -4.007 3.640 3.527
209 H ALA 32 H ALA 32 -5.044 1.920 2.430
210 HA ALA 32 HA ALA 32 -7.511 1.620 1.279
211 1HB ALA 32 1HB ALA 32 -5.147 -0.283 1.038
212 2HB ALA 32 2HB ALA 32 -6.504 -0.164 -0.075
213 3HB ALA 32 3HB ALA 32 -5.378 1.217 0.128
214 H LYS 33 H LYS 33 -5.832 -0.701 3.300
215 HA LYS 33 HA LYS 33 -7.642 -2.873 3.076
216 1HB LYS 33 1HB LYS 33 -5.300 -2.890 4.079
217 2HB LYS 33 2HB LYS 33 -6.013 -2.298 5.574
218 1HG LYS 33 1HG LYS 33 -7.546 -4.218 5.656
219 2HG LYS 33 2HG LYS 33 -6.931 -4.800 4.118
220 1HD LYS 33 1HD LYS 33 -4.803 -5.318 4.914
221 2HD LYS 33 2HD LYS 33 -4.998 -4.388 6.327
222 1HE LYS 33 1HE LYS 33 -6.788 -6.732 5.668
223 2HE LYS 33 2HE LYS 33 -5.268 -6.935 6.555
224 1HZ LYS 33 1HZ LYS 33 -7.605 -5.349 7.408
225 2HZ LYS 33 2HZ LYS 33 -7.176 -6.790 8.045
226 3HZ LYS 33 3HZ LYS 33 -6.207 -5.472 8.273
227 H HIS 34 H HIS 34 -7.439 -0.539 5.780
228 HA HIS 34 HA HIS 34 -10.028 -1.259 6.889
229 1HB HIS 34 1HB HIS 34 -7.790 0.590 7.511
230 2HB HIS 34 2HB HIS 34 -9.361 1.276 7.843
231 HD1 HIS 34 HD1 HIS 34 -9.865 0.921 10.348
232 HD2 HIS 34 HD2 HIS 34 -7.975 -2.348 8.487
233 HE1 HIS 34 HE1 HIS 34 -9.691 -0.928 12.108
234 H GLU 35 H GLU 35 -9.079 0.820 4.213
235 HA GLU 35 HA GLU 35 -11.372 2.419 4.488
236 1HB GLU 35 1HB GLU 35 -9.261 3.105 3.341
237 2HB GLU 35 2HB GLU 35 -9.770 2.167 1.952
238 1HG GLU 35 1HG GLU 35 -11.556 4.305 3.047
239 2HG GLU 35 2HG GLU 35 -10.124 4.742 2.138
240 H GLY 36 H GLY 36 -10.502 -0.049 2.013
241 1HA GLY 36 1HA GLY 36 -13.199 -1.221 2.050
242 2HA GLY 36 2HA GLY 36 -12.810 -0.294 0.598
243 H ASN 37 H ASN 37 -10.312 -2.194 2.393
244 HA ASN 37 HA ASN 37 -10.415 -4.238 0.209
245 1HB ASN 37 1HB ASN 37 -8.512 -2.330 -0.040
246 2HB ASN 37 2HB ASN 37 -7.710 -3.259 1.128
247 1HD2 ASN 37 1HD2 ASN 37 -6.609 -3.033 -1.406
248 2HD2 ASN 37 2HD2 ASN 37 -6.721 -4.625 -2.132
249 HA PRO 38 HA PRO 38 -10.092 -5.825 4.583
250 1HB PRO 38 1HB PRO 38 -12.122 -7.728 4.474
251 2HB PRO 38 2HB PRO 38 -12.381 -6.014 4.926
252 1HG PRO 38 1HG PRO 38 -12.807 -7.322 2.226
253 2HG PRO 38 2HG PRO 38 -13.885 -6.182 3.096
254 1HD PRO 38 1HD PRO 38 -12.197 -5.366 1.112
255 2HD PRO 38 2HD PRO 38 -12.534 -4.335 2.544
256 H ASP 39 H ASP 39 -10.002 -7.193 1.421
257 HA ASP 39 HA ASP 39 -8.901 -9.795 2.050
258 1HB ASP 39 1HB ASP 39 -9.984 -8.335 -0.202
259 2HB ASP 39 2HB ASP 39 -8.362 -8.817 -0.640
260 H LEU 40 H LEU 40 -7.536 -6.542 1.837
261 HA LEU 40 HA LEU 40 -4.912 -7.369 0.799
262 1HB LEU 40 1HB LEU 40 -5.539 -5.185 0.201
263 2HB LEU 40 2HB LEU 40 -6.286 -4.872 1.775
264 HG LEU 40 HG LEU 40 -4.286 -4.575 2.852
265 1HD1 LEU 40 1HD1 LEU 40 -2.495 -4.361 0.516
266 2HD1 LEU 40 2HD1 LEU 40 -2.236 -5.047 2.155
267 3HD1 LEU 40 3HD1 LEU 40 -2.989 -6.001 0.870
268 1HD2 LEU 40 1HD2 LEU 40 -4.293 -2.918 0.281
269 2HD2 LEU 40 2HD2 LEU 40 -5.342 -2.650 1.687
270 3HD2 LEU 40 3HD2 LEU 40 -3.599 -2.460 1.820
271 H VAL 41 H VAL 41 -3.054 -7.387 2.159
272 HA VAL 41 HA VAL 41 -3.396 -7.281 5.043
273 HB VAL 41 HB VAL 41 -2.326 -9.505 5.257
274 1HG1 VAL 41 1HG1 VAL 41 -4.931 -9.792 3.736
275 2HG1 VAL 41 2HG1 VAL 41 -4.268 -10.855 4.987
276 3HG1 VAL 41 3HG1 VAL 41 -4.828 -9.224 5.421
277 1HG2 VAL 41 1HG2 VAL 41 -2.976 -9.886 2.313
278 2HG2 VAL 41 2HG2 VAL 41 -1.343 -9.757 3.032
279 3HG2 VAL 41 3HG2 VAL 41 -2.362 -11.133 3.424
280 H GLN 42 H GLN 42 -1.368 -6.852 6.041
281 HA GLN 42 HA GLN 42 0.782 -5.912 4.285
282 1HB GLN 42 1HB GLN 42 0.111 -4.751 6.444
283 2HB GLN 42 2HB GLN 42 0.729 -6.144 7.323
284 1HG GLN 42 1HG GLN 42 2.549 -4.666 7.342
285 2HG GLN 42 2HG GLN 42 2.966 -5.730 5.994
286 1HE2 GLN 42 1HE2 GLN 42 3.733 -4.536 4.104
287 2HE2 GLN 42 2HE2 GLN 42 3.121 -2.944 3.788
288 H VAL 43 H VAL 43 1.181 -7.925 3.207
289 HA VAL 43 HA VAL 43 2.039 -10.288 4.389
290 HB VAL 43 HB VAL 43 3.558 -10.370 2.221
291 1HG1 VAL 43 1HG1 VAL 43 0.552 -10.358 1.980
292 2HG1 VAL 43 2HG1 VAL 43 1.762 -11.339 1.071
293 3HG1 VAL 43 3HG1 VAL 43 1.468 -11.662 2.774
294 1HG2 VAL 43 1HG2 VAL 43 1.491 -8.234 1.475
295 2HG2 VAL 43 2HG2 VAL 43 3.234 -7.969 1.583
296 3HG2 VAL 43 3HG2 VAL 43 2.580 -9.074 0.365
297 H HIS 44 H HIS 44 3.892 -7.386 3.425
298 HA HIS 44 HA HIS 44 5.626 -7.463 5.635
299 1HB HIS 44 1HB HIS 44 7.704 -8.079 4.692
300 2HB HIS 44 2HB HIS 44 6.622 -9.408 4.443
301 HD1 HIS 44 HD1 HIS 44 5.624 -7.542 1.579
302 HD2 HIS 44 HD2 HIS 44 9.184 -9.425 2.815
303 HE1 HIS 44 HE1 HIS 44 6.958 -8.124 -0.542
304 H GLU 45 H GLU 45 7.633 -5.893 4.964
305 HA GLU 45 HA GLU 45 6.570 -3.472 3.612
306 1HB GLU 45 1HB GLU 45 8.069 -3.843 5.993
307 2HB GLU 45 2HB GLU 45 9.278 -3.347 4.854
308 1HG GLU 45 1HG GLU 45 6.697 -1.754 5.085
309 2HG GLU 45 2HG GLU 45 7.861 -1.666 6.382
310 H GLY 46 H GLY 46 8.794 -2.440 2.409
311 1HA GLY 46 1HA GLY 46 10.205 -2.646 0.643
312 2HA GLY 46 2HA GLY 46 10.362 -4.376 0.961
313 HA PRO 47 HA PRO 47 7.251 -3.486 -2.557
314 1HB PRO 47 1HB PRO 47 8.518 -2.694 -4.808
315 2HB PRO 47 2HB PRO 47 8.155 -1.556 -3.476
316 1HG PRO 47 1HG PRO 47 10.772 -2.977 -4.031
317 2HG PRO 47 2HG PRO 47 10.505 -1.238 -3.676
318 1HD PRO 47 1HD PRO 47 11.217 -3.114 -1.765
319 2HD PRO 47 2HD PRO 47 10.286 -1.643 -1.392
320 H CYS 48 H CYS 48 6.612 -5.053 -3.977
321 HA CYS 48 HA CYS 48 8.392 -7.381 -4.448
322 1HB CYS 48 1HB CYS 48 5.452 -6.834 -4.963
323 2HB CYS 48 2HB CYS 48 6.283 -8.202 -5.683
324 H ASP 49 H ASP 49 6.344 -5.169 -6.482
325 HA ASP 49 HA ASP 49 7.507 -5.972 -8.884
326 1HB ASP 49 1HB ASP 49 5.338 -4.762 -8.726
327 2HB ASP 49 2HB ASP 49 6.223 -3.299 -8.257
328 H GLU 50 H GLU 50 9.004 -4.777 -10.252
329 HA GLU 50 HA GLU 50 11.320 -4.096 -8.553
330 1HB GLU 50 1HB GLU 50 11.394 -5.759 -10.444
331 2HB GLU 50 2HB GLU 50 11.261 -4.414 -11.583
332 1HG GLU 50 1HG GLU 50 13.411 -3.534 -10.873
333 2HG GLU 50 2HG GLU 50 13.446 -4.594 -9.459
334 H HIS 51 H HIS 51 12.771 -2.198 -9.287
335 HA HIS 51 HA HIS 51 11.034 0.155 -9.765
336 1HB HIS 51 1HB HIS 51 12.751 1.519 -8.864
337 2HB HIS 51 2HB HIS 51 12.301 0.269 -7.721
338 HD1 HIS 51 HD1 HIS 51 15.186 1.126 -10.104
339 HD2 HIS 51 HD2 HIS 51 14.275 -1.303 -6.809
340 HE1 HIS 51 HE1 HIS 51 17.427 0.242 -9.211
341 H ASP 52 H ASP 52 10.711 0.130 -12.005
342 HA ASP 52 HA ASP 52 12.718 -0.367 -13.859
343 1HB ASP 52 1HB ASP 52 10.116 -0.063 -14.113
344 2HB ASP 52 2HB ASP 52 10.532 1.610 -14.475
345 H HIS 53 H HIS 53 13.506 1.329 -15.442
346 HA HIS 53 HA HIS 53 14.991 3.385 -13.854
347 1HB HIS 53 1HB HIS 53 16.206 1.368 -14.757
348 2HB HIS 53 2HB HIS 53 15.849 1.950 -16.382
349 HD1 HIS 53 HD1 HIS 53 18.343 2.441 -17.035
350 HD2 HIS 53 HD2 HIS 53 17.090 4.251 -13.450
351 HE1 HIS 53 HE1 HIS 53 20.259 3.961 -16.256
352 H ASP 54 H ASP 54 12.638 4.360 -14.502
353 HA ASP 54 HA ASP 54 12.152 5.219 -17.103
354 1HB ASP 54 1HB ASP 54 11.322 6.513 -14.472
355 2HB ASP 54 2HB ASP 54 10.607 6.882 -16.036
356 H PHE 55 H PHE 55 14.340 6.720 -14.790
357 HA PHE 55 HA PHE 55 14.545 9.185 -16.441
358 1HB PHE 55 2HB PHE 55 15.415 8.642 -13.582
359 2HB PHE 55 1HB PHE 55 15.874 10.069 -14.501
360 HD1 PHE 55 HD1 PHE 55 13.988 11.529 -15.513
361 HD2 PHE 55 HD2 PHE 55 13.334 8.647 -12.377
362 HE1 PHE 55 HE1 PHE 55 11.906 12.715 -14.856
363 HE2 PHE 55 HE2 PHE 55 11.254 9.833 -11.722
364 HZ PHE 55 HZ PHE 55 10.538 11.873 -12.956
Start of MODEL 11
1 1H PHE 1 1H PHE 1 -16.044 5.125 3.966
2 2H PHE 1 2H PHE 1 -15.428 6.665 3.918
3 3H PHE 1 3H PHE 1 -15.678 5.825 2.519
4 HA PHE 1 HA PHE 1 -13.615 5.168 4.545
5 1HB PHE 1 2HB PHE 1 -13.483 3.642 2.135
6 2HB PHE 1 1HB PHE 1 -13.382 3.230 3.826
7 HD1 PHE 1 HD1 PHE 1 -15.501 3.230 0.861
8 HD2 PHE 1 HD2 PHE 1 -15.487 2.653 5.138
9 HE1 PHE 1 HE1 PHE 1 -17.757 2.207 0.736
10 HE2 PHE 1 HE2 PHE 1 -17.749 1.642 5.005
11 HZ PHE 1 HZ PHE 1 -18.889 1.425 2.806
12 H GLN 2 H GLN 2 -12.297 6.854 4.411
13 HA GLN 2 HA GLN 2 -10.516 7.045 2.380
14 1HB GLN 2 1HB GLN 2 -12.827 8.749 1.784
15 2HB GLN 2 2HB GLN 2 -11.396 9.743 2.031
16 1HG GLN 2 1HG GLN 2 -10.129 8.384 0.410
17 2HG GLN 2 2HG GLN 2 -11.580 7.429 0.075
18 1HE2 GLN 2 1HE2 GLN 2 -9.851 9.568 -1.516
19 2HE2 GLN 2 2HE2 GLN 2 -11.126 10.597 -2.163
20 H GLY 3 H GLY 3 -12.113 9.606 4.176
21 1HA GLY 3 1HA GLY 3 -9.678 10.501 5.505
22 2HA GLY 3 2HA GLY 3 -11.281 11.251 5.594
23 H ASN 4 H ASN 4 -9.593 8.300 6.501
24 HA ASN 4 HA ASN 4 -9.788 8.660 9.289
25 1HB ASN 4 1HB ASN 4 -12.097 7.243 8.216
26 2HB ASN 4 2HB ASN 4 -11.113 6.130 9.167
27 1HD2 ASN 4 1HD2 ASN 4 -13.605 8.421 9.472
28 2HD2 ASN 4 2HD2 ASN 4 -13.377 8.688 11.192
29 HA PRO 5 HA PRO 5 -7.207 4.768 7.905
30 1HB PRO 5 1HB PRO 5 -7.358 4.091 5.249
31 2HB PRO 5 2HB PRO 5 -8.320 3.327 6.526
32 1HG PRO 5 1HG PRO 5 -9.044 5.532 4.603
33 2HG PRO 5 2HG PRO 5 -9.992 4.072 5.057
34 1HD PRO 5 1HD PRO 5 -10.551 6.423 6.206
35 2HD PRO 5 2HD PRO 5 -10.521 4.945 7.178
36 H CYS 6 H CYS 6 -7.547 7.362 5.301
37 HA CYS 6 HA CYS 6 -4.595 7.194 5.028
38 1HB CYS 6 1HB CYS 6 -6.812 7.926 3.192
39 2HB CYS 6 2HB CYS 6 -5.285 8.768 3.005
40 H GLU 7 H GLU 7 -3.911 8.309 6.808
41 HA GLU 7 HA GLU 7 -4.265 11.268 6.776
42 1HB GLU 7 1HB GLU 7 -3.656 11.040 9.222
43 2HB GLU 7 2HB GLU 7 -5.216 10.381 8.742
44 1HG GLU 7 1HG GLU 7 -4.552 8.161 9.025
45 2HG GLU 7 2HG GLU 7 -2.840 8.520 8.800
46 H CYS 8 H CYS 8 -2.077 9.169 5.676
47 HA CYS 8 HA CYS 8 0.273 9.924 7.187
48 1HB CYS 8 1HB CYS 8 -0.682 7.728 5.537
49 2HB CYS 8 2HB CYS 8 0.943 8.159 5.053
50 HA PRO 9 HA PRO 9 2.345 12.531 4.249
51 1HB PRO 9 1HB PRO 9 4.980 12.034 4.601
52 2HB PRO 9 2HB PRO 9 3.960 12.593 5.956
53 1HG PRO 9 1HG PRO 9 4.862 9.775 5.342
54 2HG PRO 9 2HG PRO 9 4.841 10.624 6.919
55 1HD PRO 9 1HD PRO 9 2.861 8.903 5.939
56 2HD PRO 9 2HD PRO 9 2.576 10.081 7.223
57 H ARG 10 H ARG 10 3.797 12.634 2.276
58 HA ARG 10 HA ARG 10 3.549 10.253 0.556
59 1HB ARG 10 1HB ARG 10 4.712 13.004 -0.069
60 2HB ARG 10 2HB ARG 10 4.598 11.646 -1.175
61 1HG ARG 10 1HG ARG 10 2.772 12.708 -1.859
62 2HG ARG 10 2HG ARG 10 2.007 11.717 -0.626
63 1HD ARG 10 1HD ARG 10 3.036 14.499 0.051
64 2HD ARG 10 2HD ARG 10 1.542 14.314 -0.873
65 HE ARG 10 HE ARG 10 1.254 12.623 1.313
66 1HH1 ARG 10 2HH2 ARG 10 1.629 16.075 0.745
67 2HH1 ARG 10 1HH2 ARG 10 0.604 16.587 2.037
68 1HH2 ARG 10 2HH1 ARG 10 -0.063 13.241 3.158
69 2HH2 ARG 10 1HH1 ARG 10 -0.421 14.909 3.395
70 H ALA 11 H ALA 11 5.086 9.589 2.750
71 HA ALA 11 HA ALA 11 7.814 9.593 2.121
72 1HB ALA 11 1HB ALA 11 6.045 7.915 3.910
73 2HB ALA 11 2HB ALA 11 7.762 7.520 3.661
74 3HB ALA 11 3HB ALA 11 7.315 9.089 4.361
75 H LEU 12 H LEU 12 8.677 8.625 0.390
76 HA LEU 12 HA LEU 12 7.386 6.711 -1.327
77 1HB LEU 12 1HB LEU 12 9.914 8.343 -1.089
78 2HB LEU 12 2HB LEU 12 10.042 6.941 -2.099
79 HG LEU 12 HG LEU 12 9.495 9.115 -3.164
80 1HD1 LEU 12 1HD1 LEU 12 8.183 8.062 -4.930
81 2HD1 LEU 12 2HD1 LEU 12 9.273 6.847 -4.254
82 3HD1 LEU 12 3HD1 LEU 12 7.554 6.844 -3.796
83 1HD2 LEU 12 1HD2 LEU 12 7.147 9.773 -3.471
84 2HD2 LEU 12 2HD2 LEU 12 6.661 8.658 -2.187
85 3HD2 LEU 12 3HD2 LEU 12 7.731 10.032 -1.826
86 H HIS 13 H HIS 13 7.369 5.485 1.122
87 HA HIS 13 HA HIS 13 9.787 3.766 1.370
88 1HB HIS 13 1HB HIS 13 8.447 5.118 3.244
89 2HB HIS 13 2HB HIS 13 7.460 3.682 3.299
90 HD1 HIS 13 HD1 HIS 13 8.641 1.615 4.665
91 HD2 HIS 13 HD2 HIS 13 11.060 4.974 3.859
92 HE1 HIS 13 HE1 HIS 13 10.685 1.428 6.171
93 H ARG 14 H ARG 14 8.985 2.946 -0.830
94 HA ARG 14 HA ARG 14 6.498 1.786 -1.266
95 1HB ARG 14 1HB ARG 14 9.185 1.239 -2.597
96 2HB ARG 14 2HB ARG 14 7.675 0.536 -3.173
97 1HG ARG 14 1HG ARG 14 6.696 2.842 -3.369
98 2HG ARG 14 2HG ARG 14 8.258 3.521 -2.895
99 1HD ARG 14 1HD ARG 14 7.957 3.631 -5.311
100 2HD ARG 14 2HD ARG 14 9.306 2.596 -4.842
101 HE ARG 14 HE ARG 14 7.002 0.967 -5.136
102 1HH1 ARG 14 2HH2 ARG 14 9.004 2.961 -7.292
103 2HH1 ARG 14 1HH2 ARG 14 8.984 1.826 -8.593
104 1HH2 ARG 14 2HH1 ARG 14 6.984 -0.579 -6.931
105 2HH2 ARG 14 1HH1 ARG 14 7.848 -0.177 -8.376
106 H VAL 15 H VAL 15 5.505 -0.210 -1.219
107 HA VAL 15 HA VAL 15 7.007 -2.508 -0.114
108 HB VAL 15 HB VAL 15 5.432 -2.925 1.593
109 1HG1 VAL 15 1HG1 VAL 15 5.973 -1.224 3.174
110 2HG1 VAL 15 2HG1 VAL 15 7.337 -1.335 2.020
111 3HG1 VAL 15 3HG1 VAL 15 6.133 -0.045 1.859
112 1HG2 VAL 15 1HG2 VAL 15 3.326 -1.973 0.624
113 2HG2 VAL 15 2HG2 VAL 15 3.614 -1.520 2.285
114 3HG2 VAL 15 3HG2 VAL 15 3.948 -0.342 0.988
115 H CYS 16 H CYS 16 5.890 -4.539 -0.195
116 HA CYS 16 HA CYS 16 4.005 -4.804 -2.436
117 1HB CYS 16 1HB CYS 16 6.083 -6.084 -2.186
118 2HB CYS 16 2HB CYS 16 5.598 -6.692 -0.645
119 H GLY 17 H GLY 17 1.798 -5.291 -2.143
120 1HA GLY 17 1HA GLY 17 0.876 -6.273 0.510
121 2HA GLY 17 2HA GLY 17 -0.159 -5.710 -0.806
122 H SER 18 H SER 18 -0.473 -8.179 0.399
123 HA SER 18 HA SER 18 0.735 -10.372 -0.301
124 1HB SER 18 1HB SER 18 -1.311 -11.566 0.220
125 2HB SER 18 2HB SER 18 -1.277 -10.085 1.126
126 HG SER 18 HG SER 18 -2.820 -10.491 -1.201
127 H ASP 19 H ASP 19 -1.443 -8.939 -2.664
128 HA ASP 19 HA ASP 19 -1.332 -11.122 -4.516
129 1HB ASP 19 1HB ASP 19 -2.380 -8.327 -4.398
130 2HB ASP 19 2HB ASP 19 -1.989 -8.901 -6.014
131 H GLY 20 H GLY 20 1.252 -9.260 -3.570
132 1HA GLY 20 1HA GLY 20 3.372 -9.053 -4.641
133 2HA GLY 20 2HA GLY 20 2.639 -9.399 -6.207
134 H ASN 21 H ASN 21 0.502 -7.436 -4.852
135 HA ASN 21 HA ASN 21 0.920 -5.368 -6.660
136 1HB ASN 21 1HB ASN 21 -1.227 -6.435 -5.704
137 2HB ASN 21 2HB ASN 21 -1.032 -5.350 -4.327
138 1HD2 ASN 21 1HD2 ASN 21 -2.902 -5.652 -6.930
139 2HD2 ASN 21 2HD2 ASN 21 -3.009 -3.970 -7.422
140 H THR 22 H THR 22 2.797 -4.050 -6.269
141 HA THR 22 HA THR 22 3.565 -3.193 -3.750
142 HB THR 22 HB THR 22 4.243 -1.867 -6.386
143 HG1 THR 22 HG1 THR 22 5.572 -3.449 -6.696
144 1HG2 THR 22 1HG2 THR 22 6.449 -1.428 -5.227
145 2HG2 THR 22 2HG2 THR 22 5.101 -0.561 -4.459
146 3HG2 THR 22 3HG2 THR 22 5.764 -2.040 -3.734
147 H TYR 23 H TYR 23 3.359 -1.204 -2.614
148 HA TYR 23 HA TYR 23 1.550 0.914 -3.658
149 1HB TYR 23 1HB TYR 23 1.829 -0.279 -0.857
150 2HB TYR 23 2HB TYR 23 1.101 1.280 -1.148
151 HD1 TYR 23 HD1 TYR 23 -1.197 1.509 -1.601
152 HD2 TYR 23 HD2 TYR 23 0.677 -2.363 -1.974
153 HE1 TYR 23 HE1 TYR 23 -3.426 0.450 -1.769
154 HE2 TYR 23 HE2 TYR 23 -1.525 -3.421 -2.171
155 HH TYR 23 HH TYR 23 -3.808 -3.059 -2.326
156 H SER 24 H SER 24 2.204 3.052 -2.960
157 HA SER 24 HA SER 24 4.869 3.696 -2.873
158 1HB SER 24 1HB SER 24 2.630 5.348 -1.694
159 2HB SER 24 2HB SER 24 4.104 5.919 -2.495
160 HG SER 24 HG SER 24 3.148 5.658 -4.368
161 H ASN 25 H ASN 25 2.776 2.916 -0.085
162 HA ASN 25 HA ASN 25 4.996 2.605 1.613
163 1HB ASN 25 1HB ASN 25 4.319 4.279 3.384
164 2HB ASN 25 2HB ASN 25 5.088 4.922 1.975
165 1HD2 ASN 25 1HD2 ASN 25 4.289 6.844 1.447
166 2HD2 ASN 25 2HD2 ASN 25 2.675 7.423 1.859
167 HA PRO 26 HA PRO 26 2.145 -0.242 3.240
168 1HB PRO 26 1HB PRO 26 2.878 -0.666 5.806
169 2HB PRO 26 2HB PRO 26 3.899 -1.138 4.426
170 1HG PRO 26 1HG PRO 26 4.098 1.357 6.146
171 2HG PRO 26 2HG PRO 26 5.410 0.248 5.622
172 1HD PRO 26 1HD PRO 26 4.875 2.580 4.355
173 2HD PRO 26 2HD PRO 26 5.461 1.163 3.469
174 H CYS 27 H CYS 27 2.333 2.906 4.669
175 HA CYS 27 HA CYS 27 0.042 2.849 6.366
176 1HB CYS 27 1HB CYS 27 1.971 4.669 6.076
177 2HB CYS 27 2HB CYS 27 0.871 5.337 4.874
178 H MET 28 H MET 28 0.465 3.778 2.859
179 HA MET 28 HA MET 28 -2.355 4.126 2.494
180 1HB MET 28 1HB MET 28 -0.084 3.755 0.560
181 2HB MET 28 2HB MET 28 -1.766 3.626 0.039
182 1HG MET 28 1HG MET 28 -1.944 5.903 1.513
183 2HG MET 28 2HG MET 28 -0.271 6.027 0.982
184 1HE MET 28 1HE MET 28 -1.106 5.717 -3.034
185 2HE MET 28 2HE MET 28 0.251 5.819 -1.888
186 3HE MET 28 3HE MET 28 -0.800 4.380 -1.916
187 H LEU 29 H LEU 29 -0.386 1.176 2.376
188 HA LEU 29 HA LEU 29 -2.420 -0.566 1.312
189 1HB LEU 29 1HB LEU 29 -0.330 -1.365 1.350
190 2HB LEU 29 2HB LEU 29 0.000 -0.975 3.049
191 HG LEU 29 HG LEU 29 -1.493 -3.192 1.929
192 1HD1 LEU 29 1HD1 LEU 29 0.379 -4.591 2.490
193 2HD1 LEU 29 2HD1 LEU 29 0.967 -3.214 1.563
194 3HD1 LEU 29 3HD1 LEU 29 1.181 -3.236 3.322
195 1HD2 LEU 29 1HD2 LEU 29 -1.256 -4.273 4.247
196 2HD2 LEU 29 2HD2 LEU 29 -0.852 -2.671 4.862
197 3HD2 LEU 29 3HD2 LEU 29 -2.464 -3.011 4.156
198 H THR 30 H THR 30 -1.407 -0.209 4.683
199 HA THR 30 HA THR 30 -3.697 -1.544 5.681
200 HB THR 30 HB THR 30 -1.552 -0.735 6.874
201 HG1 THR 30 HG1 THR 30 -2.438 -1.452 8.695
202 1HG2 THR 30 1HG2 THR 30 -3.461 1.429 7.743
203 2HG2 THR 30 2HG2 THR 30 -1.849 1.097 8.421
204 3HG2 THR 30 3HG2 THR 30 -2.012 1.618 6.732
205 H CYS 31 H CYS 31 -3.332 1.986 5.009
206 HA CYS 31 HA CYS 31 -5.747 2.804 5.814
207 1HB CYS 31 1HB CYS 31 -4.383 4.551 4.953
208 2HB CYS 31 2HB CYS 31 -3.981 3.610 3.525
209 H ALA 32 H ALA 32 -4.971 1.799 2.441
210 HA ALA 32 HA ALA 32 -7.381 1.536 1.220
211 1HB ALA 32 1HB ALA 32 -6.367 -0.214 -0.120
212 2HB ALA 32 2HB ALA 32 -5.187 1.097 0.181
213 3HB ALA 32 3HB ALA 32 -5.081 -0.436 1.056
214 H LYS 33 H LYS 33 -5.823 -0.784 3.308
215 HA LYS 33 HA LYS 33 -7.612 -2.978 3.020
216 1HB LYS 33 1HB LYS 33 -5.317 -3.034 4.080
217 2HB LYS 33 2HB LYS 33 -6.069 -2.404 5.558
218 1HG LYS 33 1HG LYS 33 -7.596 -4.321 5.648
219 2HG LYS 33 2HG LYS 33 -6.909 -4.940 4.125
220 1HD LYS 33 1HD LYS 33 -4.856 -5.404 4.973
221 2HD LYS 33 2HD LYS 33 -5.065 -4.452 6.374
222 1HE LYS 33 1HE LYS 33 -6.814 -6.840 5.672
223 2HE LYS 33 2HE LYS 33 -5.355 -7.047 6.613
224 1HZ LYS 33 1HZ LYS 33 -6.380 -5.864 8.410
225 2HZ LYS 33 2HZ LYS 33 -7.628 -5.354 7.448
226 3HZ LYS 33 3HZ LYS 33 -7.496 -6.935 7.842
227 H HIS 34 H HIS 34 -7.474 -0.615 5.682
228 HA HIS 34 HA HIS 34 -10.075 -1.309 6.718
229 1HB HIS 34 1HB HIS 34 -7.820 0.423 7.442
230 2HB HIS 34 2HB HIS 34 -9.337 1.288 7.618
231 HD1 HIS 34 HD1 HIS 34 -10.476 0.891 9.895
232 HD2 HIS 34 HD2 HIS 34 -7.990 -2.260 8.639
233 HE1 HIS 34 HE1 HIS 34 -10.484 -0.844 11.778
234 H GLU 35 H GLU 35 -9.084 0.807 4.056
235 HA GLU 35 HA GLU 35 -11.469 2.428 4.250
236 1HB GLU 35 1HB GLU 35 -9.115 2.900 3.140
237 2HB GLU 35 2HB GLU 35 -9.845 2.112 1.760
238 1HG GLU 35 1HG GLU 35 -11.464 4.265 2.866
239 2HG GLU 35 2HG GLU 35 -9.902 4.814 2.382
240 H GLY 36 H GLY 36 -10.402 -0.194 1.997
241 1HA GLY 36 1HA GLY 36 -13.124 -1.300 1.860
242 2HA GLY 36 2HA GLY 36 -12.620 -0.411 0.426
243 H ASN 37 H ASN 37 -10.081 -2.213 2.189
244 HA ASN 37 HA ASN 37 -10.181 -4.292 0.007
245 1HB ASN 37 1HB ASN 37 -8.342 -2.343 -0.142
246 2HB ASN 37 2HB ASN 37 -7.547 -3.248 1.066
247 1HD2 ASN 37 1HD2 ASN 37 -6.384 -2.874 -1.480
248 2HD2 ASN 37 2HD2 ASN 37 -6.354 -4.475 -2.197
249 HA PRO 38 HA PRO 38 -10.084 -5.828 4.450
250 1HB PRO 38 1HB PRO 38 -12.108 -7.701 4.358
251 2HB PRO 38 2HB PRO 38 -12.372 -5.967 4.704
252 1HG PRO 38 1HG PRO 38 -12.606 -7.368 2.016
253 2HG PRO 38 2HG PRO 38 -13.813 -6.304 2.806
254 1HD PRO 38 1HD PRO 38 -12.127 -5.297 0.957
255 2HD PRO 38 2HD PRO 38 -12.448 -4.374 2.459
256 H ASP 39 H ASP 39 -10.063 -7.361 1.327
257 HA ASP 39 HA ASP 39 -8.919 -9.909 1.949
258 1HB ASP 39 1HB ASP 39 -9.683 -8.265 -0.366
259 2HB ASP 39 2HB ASP 39 -8.131 -9.013 -0.639
260 H LEU 40 H LEU 40 -7.496 -6.645 1.839
261 HA LEU 40 HA LEU 40 -4.851 -7.523 0.936
262 1HB LEU 40 1HB LEU 40 -5.451 -5.370 0.253
263 2HB LEU 40 2HB LEU 40 -6.237 -4.987 1.780
264 HG LEU 40 HG LEU 40 -4.260 -4.647 2.908
265 1HD1 LEU 40 1HD1 LEU 40 -2.456 -4.486 0.591
266 2HD1 LEU 40 2HD1 LEU 40 -2.223 -5.123 2.264
267 3HD1 LEU 40 3HD1 LEU 40 -2.933 -6.132 1.014
268 1HD2 LEU 40 1HD2 LEU 40 -3.513 -2.570 1.653
269 2HD2 LEU 40 2HD2 LEU 40 -4.474 -3.123 0.286
270 3HD2 LEU 40 3HD2 LEU 40 -5.254 -2.747 1.808
271 H VAL 41 H VAL 41 -3.060 -7.414 2.396
272 HA VAL 41 HA VAL 41 -3.575 -7.297 5.264
273 HB VAL 41 HB VAL 41 -2.421 -9.457 5.573
274 1HG1 VAL 41 1HG1 VAL 41 -4.907 -9.884 3.881
275 2HG1 VAL 41 2HG1 VAL 41 -4.263 -10.926 5.149
276 3HG1 VAL 41 3HG1 VAL 41 -4.927 -9.335 5.575
277 1HG2 VAL 41 1HG2 VAL 41 -1.297 -9.656 3.368
278 2HG2 VAL 41 2HG2 VAL 41 -2.229 -11.092 3.762
279 3HG2 VAL 41 3HG2 VAL 41 -2.882 -9.931 2.594
280 H GLN 42 H GLN 42 -1.555 -6.792 6.363
281 HA GLN 42 HA GLN 42 0.638 -5.811 4.689
282 1HB GLN 42 1HB GLN 42 0.049 -4.680 6.849
283 2HB GLN 42 2HB GLN 42 0.434 -6.166 7.703
284 1HG GLN 42 1HG GLN 42 2.390 -4.893 7.940
285 2HG GLN 42 2HG GLN 42 2.797 -6.009 6.647
286 1HE2 GLN 42 1HE2 GLN 42 4.303 -4.774 5.438
287 2HE2 GLN 42 2HE2 GLN 42 3.925 -3.204 4.808
288 H VAL 43 H VAL 43 1.115 -7.763 3.516
289 HA VAL 43 HA VAL 43 1.825 -10.219 4.631
290 HB VAL 43 HB VAL 43 3.467 -10.231 2.550
291 1HG1 VAL 43 1HG1 VAL 43 0.486 -10.145 2.088
292 2HG1 VAL 43 2HG1 VAL 43 1.733 -11.125 1.242
293 3HG1 VAL 43 3HG1 VAL 43 1.287 -11.510 2.889
294 1HG2 VAL 43 1HG2 VAL 43 3.256 -7.854 1.941
295 2HG2 VAL 43 2HG2 VAL 43 2.558 -8.874 0.683
296 3HG2 VAL 43 3HG2 VAL 43 1.493 -7.999 1.792
297 H HIS 44 H HIS 44 3.823 -7.354 3.834
298 HA HIS 44 HA HIS 44 5.603 -7.294 5.956
299 1HB HIS 44 1HB HIS 44 6.531 -9.368 5.426
300 2HB HIS 44 2HB HIS 44 6.307 -9.166 3.698
301 HD1 HIS 44 HD1 HIS 44 8.644 -7.521 6.400
302 HD2 HIS 44 HD2 HIS 44 8.506 -9.007 2.453
303 HE1 HIS 44 HE1 HIS 44 10.980 -7.217 5.404
304 H GLU 45 H GLU 45 7.662 -5.934 4.900
305 HA GLU 45 HA GLU 45 6.422 -3.822 3.245
306 1HB GLU 45 1HB GLU 45 8.229 -2.362 4.022
307 2HB GLU 45 2HB GLU 45 7.131 -2.899 5.267
308 1HG GLU 45 1HG GLU 45 8.876 -3.411 6.535
309 2HG GLU 45 2HG GLU 45 9.214 -4.767 5.476
310 H GLY 46 H GLY 46 8.865 -2.841 2.120
311 1HA GLY 46 1HA GLY 46 10.492 -3.327 0.582
312 2HA GLY 46 2HA GLY 46 10.239 -5.063 0.834
313 HA PRO 47 HA PRO 47 7.472 -3.396 -2.723
314 1HB PRO 47 1HB PRO 47 8.867 -2.405 -4.779
315 2HB PRO 47 2HB PRO 47 8.566 -1.460 -3.287
316 1HG PRO 47 1HG PRO 47 11.095 -3.039 -3.954
317 2HG PRO 47 2HG PRO 47 10.972 -1.316 -3.481
318 1HD PRO 47 1HD PRO 47 11.413 -3.305 -1.655
319 2HD PRO 47 2HD PRO 47 10.453 -1.864 -1.254
320 H CYS 48 H CYS 48 6.656 -5.156 -3.818
321 HA CYS 48 HA CYS 48 8.445 -7.364 -4.597
322 1HB CYS 48 1HB CYS 48 5.458 -6.937 -4.887
323 2HB CYS 48 2HB CYS 48 6.299 -8.280 -5.643
324 H ASP 49 H ASP 49 6.151 -5.254 -6.430
325 HA ASP 49 HA ASP 49 7.214 -5.922 -8.924
326 1HB ASP 49 1HB ASP 49 4.858 -5.098 -8.255
327 2HB ASP 49 2HB ASP 49 5.538 -3.474 -8.390
328 H GLU 50 H GLU 50 7.795 -3.756 -10.474
329 HA GLU 50 HA GLU 50 10.484 -3.605 -9.453
330 1HB GLU 50 1HB GLU 50 11.140 -2.644 -11.601
331 2HB GLU 50 2HB GLU 50 10.332 -4.204 -11.661
332 1HG GLU 50 1HG GLU 50 8.292 -3.194 -12.521
333 2HG GLU 50 2HG GLU 50 8.965 -1.568 -12.314
334 H HIS 51 H HIS 51 11.698 -2.092 -8.710
335 HA HIS 51 HA HIS 51 10.450 0.377 -7.803
336 1HB HIS 51 1HB HIS 51 11.622 -0.958 -6.174
337 2HB HIS 51 2HB HIS 51 13.095 -0.974 -7.172
338 HD1 HIS 51 HD1 HIS 51 14.792 0.713 -6.407
339 HD2 HIS 51 HD2 HIS 51 10.845 1.926 -5.861
340 HE1 HIS 51 HE1 HIS 51 14.877 2.950 -5.035
341 H ASP 52 H ASP 52 13.599 -0.444 -9.211
342 HA ASP 52 HA ASP 52 14.412 2.124 -9.789
343 1HB ASP 52 1HB ASP 52 15.445 -0.567 -10.776
344 2HB ASP 52 2HB ASP 52 16.305 0.974 -10.882
345 H HIS 53 H HIS 53 12.208 2.443 -11.041
346 HA HIS 53 HA HIS 53 12.006 1.781 -13.827
347 1HB HIS 53 1HB HIS 53 10.075 2.220 -12.390
348 2HB HIS 53 2HB HIS 53 10.620 3.874 -12.109
349 HD1 HIS 53 HD1 HIS 53 9.816 5.636 -13.813
350 HD2 HIS 53 HD2 HIS 53 9.348 1.666 -15.107
351 HE1 HIS 53 HE1 HIS 53 8.293 5.713 -15.887
352 H ASP 54 H ASP 54 14.329 2.398 -14.036
353 HA ASP 54 HA ASP 54 15.129 5.140 -14.383
354 1HB ASP 54 1HB ASP 54 16.582 3.161 -13.836
355 2HB ASP 54 2HB ASP 54 16.397 2.604 -15.498
356 H PHE 55 H PHE 55 13.550 2.818 -16.597
357 HA PHE 55 HA PHE 55 12.887 4.833 -18.393
358 1HB PHE 55 2HB PHE 55 15.351 3.744 -19.096
359 2HB PHE 55 1HB PHE 55 14.252 2.679 -19.948
360 HD1 PHE 55 HD1 PHE 55 15.449 6.144 -19.536
361 HD2 PHE 55 HD2 PHE 55 12.831 3.579 -21.786
362 HE1 PHE 55 HE1 PHE 55 15.202 7.920 -21.258
363 HE2 PHE 55 HE2 PHE 55 12.586 5.348 -23.523
364 HZ PHE 55 HZ PHE 55 13.773 7.522 -23.259
Start of MODEL 12
1 1H PHE 1 1H PHE 1 -15.853 4.162 5.932
2 2H PHE 1 2H PHE 1 -15.650 5.788 5.691
3 3H PHE 1 3H PHE 1 -16.345 4.858 4.520
4 HA PHE 1 HA PHE 1 -13.539 4.615 5.392
5 1HB PHE 1 2HB PHE 1 -13.453 3.247 3.269
6 2HB PHE 1 1HB PHE 1 -14.011 2.536 4.762
7 HD1 PHE 1 HD1 PHE 1 -14.984 3.573 1.342
8 HD2 PHE 1 HD2 PHE 1 -16.373 1.797 5.028
9 HE1 PHE 1 HE1 PHE 1 -17.076 2.865 0.224
10 HE2 PHE 1 HE2 PHE 1 -18.463 1.101 3.899
11 HZ PHE 1 HZ PHE 1 -18.825 1.636 1.499
12 H GLN 2 H GLN 2 -13.157 6.801 5.273
13 HA GLN 2 HA GLN 2 -11.528 6.841 3.121
14 1HB GLN 2 1HB GLN 2 -13.704 8.129 2.180
15 2HB GLN 2 2HB GLN 2 -13.078 9.437 3.184
16 1HG GLN 2 1HG GLN 2 -10.829 9.057 1.962
17 2HG GLN 2 2HG GLN 2 -11.715 7.979 0.881
18 1HE2 GLN 2 1HE2 GLN 2 -10.376 10.885 0.680
19 2HE2 GLN 2 2HE2 GLN 2 -11.648 11.747 -0.174
20 H GLY 3 H GLY 3 -9.840 8.450 3.749
21 1HA GLY 3 1HA GLY 3 -8.756 10.076 4.937
22 2HA GLY 3 2HA GLY 3 -10.314 10.522 5.628
23 H ASN 4 H ASN 4 -10.976 8.420 7.254
24 HA ASN 4 HA ASN 4 -9.206 8.671 9.506
25 1HB ASN 4 1HB ASN 4 -11.417 6.617 9.012
26 2HB ASN 4 2HB ASN 4 -10.570 6.849 10.535
27 1HD2 ASN 4 1HD2 ASN 4 -10.725 9.159 11.538
28 2HD2 ASN 4 2HD2 ASN 4 -12.257 9.967 11.256
29 HA PRO 5 HA PRO 5 -7.088 4.600 7.972
30 1HB PRO 5 1HB PRO 5 -7.506 4.084 5.298
31 2HB PRO 5 2HB PRO 5 -8.292 3.188 6.638
32 1HG PRO 5 1HG PRO 5 -9.347 5.374 4.867
33 2HG PRO 5 2HG PRO 5 -10.175 3.906 5.461
34 1HD PRO 5 1HD PRO 5 -10.565 6.336 6.630
35 2HD PRO 5 2HD PRO 5 -10.541 4.843 7.593
36 H CYS 6 H CYS 6 -7.941 6.768 5.232
37 HA CYS 6 HA CYS 6 -5.114 6.836 4.555
38 1HB CYS 6 1HB CYS 6 -7.559 7.740 3.030
39 2HB CYS 6 2HB CYS 6 -5.918 7.651 2.400
40 H GLU 7 H GLU 7 -4.590 8.174 6.449
41 HA GLU 7 HA GLU 7 -3.876 10.665 5.143
42 1HB GLU 7 1HB GLU 7 -5.728 10.974 7.121
43 2HB GLU 7 2HB GLU 7 -4.273 10.917 8.114
44 1HG GLU 7 1HG GLU 7 -4.938 12.838 5.840
45 2HG GLU 7 2HG GLU 7 -4.802 13.224 7.553
46 H CYS 8 H CYS 8 -1.630 10.914 5.393
47 HA CYS 8 HA CYS 8 0.078 9.803 7.248
48 1HB CYS 8 1HB CYS 8 -1.027 7.723 5.549
49 2HB CYS 8 2HB CYS 8 0.678 7.890 5.173
50 HA PRO 9 HA PRO 9 2.725 12.128 4.654
51 1HB PRO 9 1HB PRO 9 5.247 11.120 4.813
52 2HB PRO 9 2HB PRO 9 4.408 11.788 6.249
53 1HG PRO 9 1HG PRO 9 4.627 8.875 5.410
54 2HG PRO 9 2HG PRO 9 4.958 9.588 7.021
55 1HD PRO 9 1HD PRO 9 2.576 8.428 6.360
56 2HD PRO 9 2HD PRO 9 2.680 9.809 7.486
57 H ARG 10 H ARG 10 3.742 12.279 2.580
58 HA ARG 10 HA ARG 10 3.281 10.001 0.745
59 1HB ARG 10 1HB ARG 10 4.312 12.840 0.286
60 2HB ARG 10 2HB ARG 10 4.000 11.653 -0.989
61 1HG ARG 10 1HG ARG 10 1.621 11.581 -0.439
62 2HG ARG 10 2HG ARG 10 1.862 12.652 0.948
63 1HD ARG 10 1HD ARG 10 2.635 14.462 -0.591
64 2HD ARG 10 2HD ARG 10 2.338 13.392 -1.963
65 HE ARG 10 HE ARG 10 0.109 13.776 -1.825
66 1HH1 ARG 10 2HH2 ARG 10 1.521 14.941 1.201
67 2HH1 ARG 10 1HH2 ARG 10 0.052 15.608 1.822
68 1HH2 ARG 10 2HH1 ARG 10 -1.858 14.699 -1.034
69 2HH2 ARG 10 1HH1 ARG 10 -1.896 15.485 0.500
70 H ALA 11 H ALA 11 5.057 9.350 2.749
71 HA ALA 11 HA ALA 11 7.736 9.405 1.940
72 1HB ALA 11 1HB ALA 11 7.076 9.097 4.303
73 2HB ALA 11 2HB ALA 11 6.179 7.624 3.864
74 3HB ALA 11 3HB ALA 11 7.948 7.664 3.718
75 H LEU 12 H LEU 12 8.562 8.216 0.283
76 HA LEU 12 HA LEU 12 7.038 6.229 -1.127
77 1HB LEU 12 1HB LEU 12 9.719 7.625 -1.332
78 2HB LEU 12 2HB LEU 12 9.423 6.231 -2.320
79 HG LEU 12 HG LEU 12 9.032 8.435 -3.364
80 1HD1 LEU 12 1HD1 LEU 12 8.215 6.331 -4.361
81 2HD1 LEU 12 2HD1 LEU 12 6.703 6.457 -3.431
82 3HD1 LEU 12 3HD1 LEU 12 7.090 7.652 -4.689
83 1HD2 LEU 12 1HD2 LEU 12 6.905 9.574 -3.167
84 2HD2 LEU 12 2HD2 LEU 12 6.416 8.507 -1.835
85 3HD2 LEU 12 3HD2 LEU 12 7.797 9.619 -1.647
86 H HIS 13 H HIS 13 7.026 5.036 1.177
87 HA HIS 13 HA HIS 13 9.196 2.989 1.344
88 1HB HIS 13 1HB HIS 13 6.665 3.482 2.921
89 2HB HIS 13 2HB HIS 13 7.347 1.865 2.825
90 HD1 HIS 13 HD1 HIS 13 8.461 1.381 5.034
91 HD2 HIS 13 HD2 HIS 13 9.238 5.242 3.455
92 HE1 HIS 13 HE1 HIS 13 10.128 2.522 6.607
93 H ARG 14 H ARG 14 9.014 2.519 -0.968
94 HA ARG 14 HA ARG 14 6.588 1.453 -2.096
95 1HB ARG 14 1HB ARG 14 9.526 1.420 -2.817
96 2HB ARG 14 2HB ARG 14 8.413 0.439 -3.736
97 1HG ARG 14 1HG ARG 14 7.928 3.432 -3.191
98 2HG ARG 14 2HG ARG 14 8.828 2.861 -4.578
99 1HD ARG 14 1HD ARG 14 5.888 2.292 -3.979
100 2HD ARG 14 2HD ARG 14 6.562 3.299 -5.281
101 HE ARG 14 HE ARG 14 7.536 0.582 -5.212
102 1HH1 ARG 14 2HH2 ARG 14 4.650 2.254 -6.370
103 2HH1 ARG 14 1HH2 ARG 14 4.580 1.339 -7.855
104 1HH2 ARG 14 2HH1 ARG 14 7.751 -0.039 -7.452
105 2HH2 ARG 14 1HH1 ARG 14 6.305 -0.348 -8.335
106 H VAL 15 H VAL 15 5.666 0.011 -0.699
107 HA VAL 15 HA VAL 15 7.123 -2.475 0.016
108 HB VAL 15 HB VAL 15 5.439 -2.826 1.656
109 1HG1 VAL 15 1HG1 VAL 15 6.491 -0.005 1.894
110 2HG1 VAL 15 2HG1 VAL 15 6.132 -1.134 3.200
111 3HG1 VAL 15 3HG1 VAL 15 7.487 -1.433 2.093
112 1HG2 VAL 15 1HG2 VAL 15 4.232 -0.121 0.850
113 2HG2 VAL 15 2HG2 VAL 15 3.458 -1.708 0.614
114 3HG2 VAL 15 3HG2 VAL 15 3.764 -1.128 2.236
115 H CYS 16 H CYS 16 6.157 -4.581 -0.301
116 HA CYS 16 HA CYS 16 4.114 -4.696 -2.417
117 1HB CYS 16 1HB CYS 16 6.073 -6.225 -2.303
118 2HB CYS 16 2HB CYS 16 5.463 -6.910 -0.880
119 H GLY 17 H GLY 17 1.905 -4.825 -1.963
120 1HA GLY 17 1HA GLY 17 1.136 -5.865 0.726
121 2HA GLY 17 2HA GLY 17 0.054 -5.087 -0.437
122 H SER 18 H SER 18 -0.220 -7.604 0.692
123 HA SER 18 HA SER 18 0.458 -9.799 -0.060
124 1HB SER 18 1HB SER 18 -1.787 -10.680 0.380
125 2HB SER 18 2HB SER 18 -1.373 -9.304 1.338
126 HG SER 18 HG SER 18 -3.222 -9.095 -0.892
127 H ASP 19 H ASP 19 -1.775 -8.405 -2.332
128 HA ASP 19 HA ASP 19 -1.770 -10.636 -4.060
129 1HB ASP 19 1HB ASP 19 -2.870 -7.805 -4.166
130 2HB ASP 19 2HB ASP 19 -3.285 -9.039 -5.356
131 H GLY 20 H GLY 20 0.912 -9.478 -3.729
132 1HA GLY 20 1HA GLY 20 2.806 -8.884 -4.930
133 2HA GLY 20 2HA GLY 20 1.913 -9.092 -6.439
134 H ASN 21 H ASN 21 0.111 -7.139 -4.550
135 HA ASN 21 HA ASN 21 0.211 -5.003 -6.336
136 1HB ASN 21 1HB ASN 21 -1.723 -6.184 -5.139
137 2HB ASN 21 2HB ASN 21 -1.327 -5.250 -3.710
138 1HD2 ASN 21 1HD2 ASN 21 -2.730 -5.248 -6.955
139 2HD2 ASN 21 2HD2 ASN 21 -3.468 -3.667 -6.799
140 H THR 22 H THR 22 2.330 -3.980 -6.059
141 HA THR 22 HA THR 22 3.337 -3.294 -3.554
142 HB THR 22 HB THR 22 4.080 -2.133 -6.233
143 HG1 THR 22 HG1 THR 22 4.285 -4.432 -5.942
144 1HG2 THR 22 1HG2 THR 22 4.935 -0.750 -4.260
145 2HG2 THR 22 2HG2 THR 22 5.713 -2.217 -3.651
146 3HG2 THR 22 3HG2 THR 22 6.219 -1.546 -5.185
147 H TYR 23 H TYR 23 3.310 -1.227 -2.373
148 HA TYR 23 HA TYR 23 1.432 0.881 -3.285
149 1HB TYR 23 1HB TYR 23 1.775 -0.371 -0.520
150 2HB TYR 23 2HB TYR 23 1.059 1.199 -0.773
151 HD1 TYR 23 HD1 TYR 23 0.638 -2.418 -1.378
152 HD2 TYR 23 HD2 TYR 23 -1.234 1.464 -1.566
153 HE1 TYR 23 HE1 TYR 23 -1.516 -3.488 -1.931
154 HE2 TYR 23 HE2 TYR 23 -3.407 0.391 -2.100
155 HH TYR 23 HH TYR 23 -3.415 -2.525 -3.465
156 H SER 24 H SER 24 2.134 2.953 -2.790
157 HA SER 24 HA SER 24 4.803 3.566 -2.523
158 1HB SER 24 1HB SER 24 2.498 5.385 -1.760
159 2HB SER 24 2HB SER 24 4.074 5.835 -2.444
160 HG SER 24 HG SER 24 2.539 5.814 -4.081
161 H ASN 25 H ASN 25 2.669 2.752 0.157
162 HA ASN 25 HA ASN 25 4.815 2.572 1.880
163 1HB ASN 25 1HB ASN 25 4.099 4.119 3.718
164 2HB ASN 25 2HB ASN 25 4.951 4.809 2.368
165 1HD2 ASN 25 1HD2 ASN 25 4.197 6.683 1.678
166 2HD2 ASN 25 2HD2 ASN 25 2.651 7.373 2.186
167 HA PRO 26 HA PRO 26 2.095 -0.411 3.416
168 1HB PRO 26 1HB PRO 26 2.807 -0.850 5.993
169 2HB PRO 26 2HB PRO 26 3.799 -1.333 4.585
170 1HG PRO 26 1HG PRO 26 4.087 1.154 6.292
171 2HG PRO 26 2HG PRO 26 5.362 0.017 5.762
172 1HD PRO 26 1HD PRO 26 4.897 2.356 4.481
173 2HD PRO 26 2HD PRO 26 5.358 0.903 3.576
174 H CYS 27 H CYS 27 2.301 2.707 5.002
175 HA CYS 27 HA CYS 27 -0.081 2.585 6.575
176 1HB CYS 27 1HB CYS 27 1.702 4.413 6.653
177 2HB CYS 27 2HB CYS 27 0.970 5.072 5.192
178 H MET 28 H MET 28 0.453 3.954 3.230
179 HA MET 28 HA MET 28 -2.310 4.247 2.740
180 1HB MET 28 1HB MET 28 0.014 3.928 0.802
181 2HB MET 28 2HB MET 28 -1.622 4.147 0.274
182 1HG MET 28 1HG MET 28 -0.464 6.049 2.331
183 2HG MET 28 2HG MET 28 0.011 6.205 0.646
184 1HE MET 28 1HE MET 28 -3.084 7.184 -1.258
185 2HE MET 28 2HE MET 28 -1.432 6.512 -1.259
186 3HE MET 28 3HE MET 28 -2.823 5.460 -0.919
187 H LEU 29 H LEU 29 -0.315 1.329 2.202
188 HA LEU 29 HA LEU 29 -2.342 -0.341 1.048
189 1HB LEU 29 1HB LEU 29 -0.222 -1.139 1.164
190 2HB LEU 29 2HB LEU 29 -0.042 -0.860 2.918
191 HG LEU 29 HG LEU 29 -1.349 -3.034 1.521
192 1HD1 LEU 29 1HD1 LEU 29 1.111 -3.003 1.394
193 2HD1 LEU 29 2HD1 LEU 29 1.189 -3.000 3.171
194 3HD1 LEU 29 3HD1 LEU 29 0.494 -4.383 2.292
195 1HD2 LEU 29 1HD2 LEU 29 -0.982 -2.563 4.527
196 2HD2 LEU 29 2HD2 LEU 29 -2.524 -2.871 3.676
197 3HD2 LEU 29 3HD2 LEU 29 -1.348 -4.146 3.847
198 H THR 30 H THR 30 -1.442 -0.118 4.494
199 HA THR 30 HA THR 30 -3.771 -1.548 5.258
200 HB THR 30 HB THR 30 -1.576 -0.864 6.567
201 HG1 THR 30 HG1 THR 30 -2.624 -1.714 8.394
202 1HG2 THR 30 1HG2 THR 30 -2.021 0.585 8.426
203 2HG2 THR 30 2HG2 THR 30 -2.263 1.450 6.902
204 3HG2 THR 30 3HG2 THR 30 -3.678 0.905 7.827
205 H CYS 31 H CYS 31 -3.379 1.938 4.763
206 HA CYS 31 HA CYS 31 -5.744 2.778 5.833
207 1HB CYS 31 1HB CYS 31 -5.137 4.780 5.026
208 2HB CYS 31 2HB CYS 31 -3.693 4.037 4.558
209 H ALA 32 H ALA 32 -5.021 1.975 2.434
210 HA ALA 32 HA ALA 32 -7.519 1.800 1.234
211 1HB ALA 32 1HB ALA 32 -5.181 -0.064 0.817
212 2HB ALA 32 2HB ALA 32 -6.524 0.254 -0.291
213 3HB ALA 32 3HB ALA 32 -5.362 1.561 0.115
214 H LYS 33 H LYS 33 -5.826 -0.680 3.032
215 HA LYS 33 HA LYS 33 -7.566 -2.874 2.760
216 1HB LYS 33 1HB LYS 33 -5.238 -2.856 3.687
217 2HB LYS 33 2HB LYS 33 -5.885 -2.138 5.138
218 1HG LYS 33 1HG LYS 33 -7.313 -4.054 5.538
219 2HG LYS 33 2HG LYS 33 -6.692 -4.845 4.075
220 1HD LYS 33 1HD LYS 33 -4.522 -5.040 4.884
221 2HD LYS 33 2HD LYS 33 -4.721 -3.864 6.095
222 1HE LYS 33 1HE LYS 33 -6.352 -6.417 6.001
223 2HE LYS 33 2HE LYS 33 -4.791 -6.340 6.813
224 1HZ LYS 33 1HZ LYS 33 -6.566 -5.994 8.409
225 2HZ LYS 33 2HZ LYS 33 -5.786 -4.547 8.254
226 3HZ LYS 33 3HZ LYS 33 -7.203 -4.769 7.522
227 H HIS 34 H HIS 34 -7.393 -0.605 5.450
228 HA HIS 34 HA HIS 34 -9.880 -1.530 6.624
229 1HB HIS 34 1HB HIS 34 -7.831 0.656 7.124
230 2HB HIS 34 2HB HIS 34 -9.361 0.636 7.940
231 HD1 HIS 34 HD1 HIS 34 -9.456 -1.137 10.017
232 HD2 HIS 34 HD2 HIS 34 -6.322 -1.787 7.286
233 HE1 HIS 34 HE1 HIS 34 -8.111 -3.135 10.889
234 H GLU 35 H GLU 35 -9.014 0.772 4.263
235 HA GLU 35 HA GLU 35 -11.550 2.258 4.397
236 1HB GLU 35 1HB GLU 35 -9.247 2.906 3.255
237 2HB GLU 35 2HB GLU 35 -9.979 2.218 1.828
238 1HG GLU 35 1HG GLU 35 -11.492 4.293 3.423
239 2HG GLU 35 2HG GLU 35 -10.060 4.789 2.556
240 H GLY 36 H GLY 36 -10.434 -0.008 1.808
241 1HA GLY 36 1HA GLY 36 -13.111 -1.278 1.727
242 2HA GLY 36 2HA GLY 36 -12.613 -0.327 0.327
243 H ASN 37 H ASN 37 -10.150 -2.174 2.119
244 HA ASN 37 HA ASN 37 -10.248 -4.361 0.080
245 1HB ASN 37 1HB ASN 37 -8.343 -2.351 -0.172
246 2HB ASN 37 2HB ASN 37 -7.521 -3.370 0.896
247 1HD2 ASN 37 1HD2 ASN 37 -6.386 -2.946 -1.484
248 2HD2 ASN 37 2HD2 ASN 37 -6.417 -4.486 -2.317
249 HA PRO 38 HA PRO 38 -9.839 -5.316 4.721
250 1HB PRO 38 1HB PRO 38 -11.812 -7.254 4.984
251 2HB PRO 38 2HB PRO 38 -12.071 -5.497 5.204
252 1HG PRO 38 1HG PRO 38 -12.583 -7.171 2.729
253 2HG PRO 38 2HG PRO 38 -13.657 -5.952 3.482
254 1HD PRO 38 1HD PRO 38 -12.112 -5.336 1.337
255 2HD PRO 38 2HD PRO 38 -12.335 -4.156 2.669
256 H ASP 39 H ASP 39 -10.072 -7.293 1.912
257 HA ASP 39 HA ASP 39 -8.878 -9.733 2.463
258 1HB ASP 39 1HB ASP 39 -8.933 -7.802 0.095
259 2HB ASP 39 2HB ASP 39 -8.418 -9.466 -0.025
260 H LEU 40 H LEU 40 -7.411 -6.554 1.995
261 HA LEU 40 HA LEU 40 -4.770 -7.464 1.060
262 1HB LEU 40 1HB LEU 40 -5.585 -5.298 0.315
263 2HB LEU 40 2HB LEU 40 -6.098 -4.879 1.945
264 HG LEU 40 HG LEU 40 -4.046 -4.463 2.718
265 1HD1 LEU 40 1HD1 LEU 40 -2.459 -4.321 0.277
266 2HD1 LEU 40 2HD1 LEU 40 -2.086 -4.990 1.907
267 3HD1 LEU 40 3HD1 LEU 40 -2.938 -5.963 0.701
268 1HD2 LEU 40 1HD2 LEU 40 -3.420 -2.415 1.366
269 2HD2 LEU 40 2HD2 LEU 40 -4.374 -3.039 0.027
270 3HD2 LEU 40 3HD2 LEU 40 -5.178 -2.572 1.511
271 H VAL 41 H VAL 41 -2.893 -7.409 2.212
272 HA VAL 41 HA VAL 41 -2.971 -6.758 5.042
273 HB VAL 41 HB VAL 41 -1.806 -8.820 5.605
274 1HG1 VAL 41 1HG1 VAL 41 -4.485 -9.512 4.409
275 2HG1 VAL 41 2HG1 VAL 41 -3.664 -10.285 5.773
276 3HG1 VAL 41 3HG1 VAL 41 -4.255 -8.612 5.942
277 1HG2 VAL 41 1HG2 VAL 41 -2.646 -9.929 2.917
278 2HG2 VAL 41 2HG2 VAL 41 -0.969 -9.545 3.440
279 3HG2 VAL 41 3HG2 VAL 41 -1.873 -10.824 4.230
280 H GLN 42 H GLN 42 -0.897 -6.244 5.843
281 HA GLN 42 HA GLN 42 1.177 -5.661 3.850
282 1HB GLN 42 1HB GLN 42 0.778 -4.057 5.693
283 2HB GLN 42 2HB GLN 42 1.200 -5.304 6.868
284 1HG GLN 42 1HG GLN 42 3.317 -5.233 4.901
285 2HG GLN 42 2HG GLN 42 2.945 -3.567 5.280
286 1HE2 GLN 42 1HE2 GLN 42 3.350 -6.725 6.992
287 2HE2 GLN 42 2HE2 GLN 42 4.376 -6.049 8.273
288 H VAL 43 H VAL 43 1.392 -7.719 3.072
289 HA VAL 43 HA VAL 43 2.079 -10.063 4.371
290 HB VAL 43 HB VAL 43 3.517 -10.420 2.189
291 1HG1 VAL 43 1HG1 VAL 43 1.369 -11.475 2.777
292 2HG1 VAL 43 2HG1 VAL 43 0.529 -10.083 2.059
293 3HG1 VAL 43 3HG1 VAL 43 1.571 -11.150 1.061
294 1HG2 VAL 43 1HG2 VAL 43 1.746 -8.045 1.409
295 2HG2 VAL 43 2HG2 VAL 43 3.514 -8.042 1.456
296 3HG2 VAL 43 3HG2 VAL 43 2.660 -9.071 0.293
297 H HIS 44 H HIS 44 4.061 -7.165 3.551
298 HA HIS 44 HA HIS 44 5.981 -7.440 5.537
299 1HB HIS 44 1HB HIS 44 7.888 -7.802 3.796
300 2HB HIS 44 2HB HIS 44 7.076 -9.190 4.470
301 HD1 HIS 44 HD1 HIS 44 5.980 -10.806 2.791
302 HD2 HIS 44 HD2 HIS 44 7.105 -7.102 1.143
303 HE1 HIS 44 HE1 HIS 44 5.686 -11.008 0.234
304 H GLU 45 H GLU 45 7.787 -5.773 4.891
305 HA GLU 45 HA GLU 45 6.700 -3.563 3.245
306 1HB GLU 45 1HB GLU 45 9.077 -3.714 5.150
307 2HB GLU 45 2HB GLU 45 8.774 -2.388 4.022
308 1HG GLU 45 1HG GLU 45 6.370 -2.382 5.254
309 2HG GLU 45 2HG GLU 45 7.328 -3.091 6.548
310 H GLY 46 H GLY 46 8.800 -2.698 1.880
311 1HA GLY 46 1HA GLY 46 10.353 -3.078 0.249
312 2HA GLY 46 2HA GLY 46 10.509 -4.768 0.744
313 HA PRO 47 HA PRO 47 7.208 -3.943 -2.657
314 1HB PRO 47 1HB PRO 47 8.308 -3.177 -4.965
315 2HB PRO 47 2HB PRO 47 8.183 -2.054 -3.599
316 1HG PRO 47 1HG PRO 47 10.615 -3.711 -4.381
317 2HG PRO 47 2HG PRO 47 10.545 -1.952 -4.046
318 1HD PRO 47 1HD PRO 47 11.235 -3.825 -2.130
319 2HD PRO 47 2HD PRO 47 10.392 -2.318 -1.727
320 H CYS 48 H CYS 48 6.316 -5.386 -4.125
321 HA CYS 48 HA CYS 48 7.936 -7.742 -4.937
322 1HB CYS 48 1HB CYS 48 5.037 -6.950 -5.377
323 2HB CYS 48 2HB CYS 48 5.794 -8.353 -6.097
324 H ASP 49 H ASP 49 6.566 -4.774 -6.344
325 HA ASP 49 HA ASP 49 7.468 -5.186 -8.955
326 1HB ASP 49 1HB ASP 49 5.676 -3.616 -8.214
327 2HB ASP 49 2HB ASP 49 6.896 -2.654 -7.389
328 H GLU 50 H GLU 50 9.205 -3.653 -9.801
329 HA GLU 50 HA GLU 50 11.339 -2.756 -8.027
330 1HB GLU 50 1HB GLU 50 11.728 -5.271 -8.323
331 2HB GLU 50 2HB GLU 50 12.052 -4.950 -10.023
332 1HG GLU 50 1HG GLU 50 14.005 -3.525 -9.332
333 2HG GLU 50 2HG GLU 50 13.601 -3.816 -7.641
334 H HIS 51 H HIS 51 9.403 -2.251 -10.701
335 HA HIS 51 HA HIS 51 11.428 -1.445 -12.614
336 1HB HIS 51 1HB HIS 51 9.193 -2.461 -13.146
337 2HB HIS 51 2HB HIS 51 8.417 -0.987 -12.568
338 HD1 HIS 51 HD1 HIS 51 7.866 0.605 -14.534
339 HD2 HIS 51 HD2 HIS 51 11.227 -1.837 -15.203
340 HE1 HIS 51 HE1 HIS 51 8.708 1.136 -16.900
341 H ASP 52 H ASP 52 9.774 0.223 -9.940
342 HA ASP 52 HA ASP 52 9.904 2.776 -11.066
343 1HB ASP 52 1HB ASP 52 9.182 3.530 -8.860
344 2HB ASP 52 2HB ASP 52 8.205 2.192 -9.447
345 H HIS 53 H HIS 53 11.511 4.305 -10.922
346 HA HIS 53 HA HIS 53 13.239 4.476 -8.633
347 1HB HIS 53 1HB HIS 53 14.377 3.440 -11.160
348 2HB HIS 53 2HB HIS 53 15.191 4.891 -10.611
349 HD1 HIS 53 HD1 HIS 53 13.939 1.871 -8.567
350 HD2 HIS 53 HD2 HIS 53 17.314 4.280 -9.290
351 HE1 HIS 53 HE1 HIS 53 15.810 1.038 -6.977
352 H ASP 54 H ASP 54 11.233 6.011 -8.911
353 HA ASP 54 HA ASP 54 11.874 8.412 -10.515
354 1HB ASP 54 1HB ASP 54 9.512 7.346 -10.263
355 2HB ASP 54 2HB ASP 54 9.499 8.087 -8.663
356 H PHE 55 H PHE 55 11.399 10.487 -9.183
357 HA PHE 55 HA PHE 55 13.403 10.671 -7.037
358 1HB PHE 55 2HB PHE 55 11.593 12.747 -8.342
359 2HB PHE 55 1HB PHE 55 12.848 13.101 -7.164
360 HD1 PHE 55 HD1 PHE 55 15.258 12.794 -7.727
361 HD2 PHE 55 HD2 PHE 55 12.167 12.240 -10.679
362 HE1 PHE 55 HE1 PHE 55 16.958 12.944 -9.534
363 HE2 PHE 55 HE2 PHE 55 13.863 12.392 -12.482
364 HZ PHE 55 HZ PHE 55 16.263 12.746 -11.915
Start of MODEL 13
1 1H PHE 1 1H PHE 1 -15.329 6.147 3.661
2 2H PHE 1 2H PHE 1 -15.369 5.425 5.139
3 3H PHE 1 3H PHE 1 -14.630 6.896 4.954
4 HA PHE 1 HA PHE 1 -12.922 5.155 5.074
5 1HB PHE 1 2HB PHE 1 -13.516 3.825 2.590
6 2HB PHE 1 1HB PHE 1 -13.143 3.248 4.193
7 HD1 PHE 1 HD1 PHE 1 -14.827 2.432 5.731
8 HD2 PHE 1 HD2 PHE 1 -15.943 4.195 1.948
9 HE1 PHE 1 HE1 PHE 1 -17.186 1.773 6.112
10 HE2 PHE 1 HE2 PHE 1 -18.302 3.536 2.346
11 HZ PHE 1 HZ PHE 1 -18.931 2.342 4.433
12 H GLN 2 H GLN 2 -11.697 6.980 4.804
13 HA GLN 2 HA GLN 2 -10.091 6.882 2.692
14 1HB GLN 2 1HB GLN 2 -12.291 8.676 1.966
15 2HB GLN 2 2HB GLN 2 -10.823 9.608 2.089
16 1HG GLN 2 1HG GLN 2 -9.930 8.770 0.225
17 2HG GLN 2 2HG GLN 2 -10.327 7.110 0.627
18 1HE2 GLN 2 1HE2 GLN 2 -11.750 6.123 -0.722
19 2HE2 GLN 2 2HE2 GLN 2 -12.941 6.985 -1.716
20 H GLY 3 H GLY 3 -11.340 9.725 4.209
21 1HA GLY 3 1HA GLY 3 -8.789 10.617 5.292
22 2HA GLY 3 2HA GLY 3 -10.350 11.438 5.458
23 H ASN 4 H ASN 4 -9.060 8.302 6.444
24 HA ASN 4 HA ASN 4 -8.892 8.854 9.225
25 1HB ASN 4 1HB ASN 4 -11.482 7.762 8.375
26 2HB ASN 4 2HB ASN 4 -10.607 6.588 9.362
27 1HD2 ASN 4 1HD2 ASN 4 -10.895 10.223 9.470
28 2HD2 ASN 4 2HD2 ASN 4 -11.325 10.224 11.184
29 HA PRO 5 HA PRO 5 -7.166 4.525 7.924
30 1HB PRO 5 1HB PRO 5 -7.440 4.006 5.199
31 2HB PRO 5 2HB PRO 5 -8.364 3.230 6.522
32 1HG PRO 5 1HG PRO 5 -9.084 5.417 4.636
33 2HG PRO 5 2HG PRO 5 -10.103 4.092 5.256
34 1HD PRO 5 1HD PRO 5 -10.287 6.596 6.330
35 2HD PRO 5 2HD PRO 5 -10.417 5.150 7.355
36 H CYS 6 H CYS 6 -7.300 7.151 5.385
37 HA CYS 6 HA CYS 6 -4.321 7.124 5.332
38 1HB CYS 6 1HB CYS 6 -6.444 8.181 3.466
39 2HB CYS 6 2HB CYS 6 -4.814 8.828 3.450
40 H GLU 7 H GLU 7 -3.786 8.200 7.217
41 HA GLU 7 HA GLU 7 -3.919 11.086 6.738
42 1HB GLU 7 1HB GLU 7 -5.548 10.600 8.586
43 2HB GLU 7 2HB GLU 7 -4.209 9.996 9.569
44 1HG GLU 7 1HG GLU 7 -3.094 12.204 9.423
45 2HG GLU 7 2HG GLU 7 -4.336 12.781 8.310
46 H CYS 8 H CYS 8 -1.931 10.547 5.628
47 HA CYS 8 HA CYS 8 0.409 9.967 7.266
48 1HB CYS 8 1HB CYS 8 -1.126 7.924 5.790
49 2HB CYS 8 2HB CYS 8 0.531 8.018 5.223
50 HA PRO 9 HA PRO 9 2.299 12.190 3.996
51 1HB PRO 9 1HB PRO 9 4.862 11.282 3.862
52 2HB PRO 9 2HB PRO 9 4.204 12.035 5.349
53 1HG PRO 9 1HG PRO 9 4.437 9.074 4.715
54 2HG PRO 9 2HG PRO 9 4.975 9.936 6.195
55 1HD PRO 9 1HD PRO 9 2.572 8.637 5.993
56 2HD PRO 9 2HD PRO 9 2.773 10.106 6.988
57 H ARG 10 H ARG 10 3.159 12.210 1.835
58 HA ARG 10 HA ARG 10 2.547 9.940 0.082
59 1HB ARG 10 1HB ARG 10 3.742 12.709 -0.379
60 2HB ARG 10 2HB ARG 10 3.545 11.511 -1.664
61 1HG ARG 10 1HG ARG 10 1.129 11.458 -1.358
62 2HG ARG 10 2HG ARG 10 1.240 12.585 -0.001
63 1HD ARG 10 1HD ARG 10 0.536 13.748 -2.018
64 2HD ARG 10 2HD ARG 10 2.091 14.354 -1.473
65 HE ARG 10 HE ARG 10 1.511 12.664 -3.845
66 1HH1 ARG 10 2HH2 ARG 10 3.950 14.517 -2.081
67 2HH1 ARG 10 1HH2 ARG 10 5.080 14.583 -3.387
68 1HH2 ARG 10 2HH1 ARG 10 3.002 12.742 -5.597
69 2HH2 ARG 10 1HH1 ARG 10 4.517 13.544 -5.426
70 H ALA 11 H ALA 11 4.328 9.052 1.994
71 HA ALA 11 HA ALA 11 7.015 9.281 1.266
72 1HB ALA 11 1HB ALA 11 5.519 7.207 2.922
73 2HB ALA 11 2HB ALA 11 7.287 7.274 2.786
74 3HB ALA 11 3HB ALA 11 6.411 8.624 3.522
75 H LEU 12 H LEU 12 8.162 8.278 -0.334
76 HA LEU 12 HA LEU 12 7.145 6.033 -1.904
77 1HB LEU 12 1HB LEU 12 9.510 7.950 -1.823
78 2HB LEU 12 2HB LEU 12 9.617 6.514 -2.794
79 HG LEU 12 HG LEU 12 8.949 8.617 -3.915
80 1HD1 LEU 12 1HD1 LEU 12 7.451 7.450 -5.510
81 2HD1 LEU 12 2HD1 LEU 12 8.735 6.369 -4.955
82 3HD1 LEU 12 3HD1 LEU 12 7.094 6.215 -4.286
83 1HD2 LEU 12 1HD2 LEU 12 7.243 9.504 -2.428
84 2HD2 LEU 12 2HD2 LEU 12 6.649 9.311 -4.081
85 3HD2 LEU 12 3HD2 LEU 12 6.165 8.150 -2.838
86 H HIS 13 H HIS 13 7.233 5.175 0.705
87 HA HIS 13 HA HIS 13 9.839 3.774 1.142
88 1HB HIS 13 1HB HIS 13 8.849 5.221 2.994
89 2HB HIS 13 2HB HIS 13 7.552 4.036 3.134
90 HD1 HIS 13 HD1 HIS 13 8.467 1.424 4.111
91 HD2 HIS 13 HD2 HIS 13 11.210 4.687 4.020
92 HE1 HIS 13 HE1 HIS 13 10.453 0.729 5.378
93 H ARG 14 H ARG 14 8.949 2.745 -0.903
94 HA ARG 14 HA ARG 14 6.434 1.672 -1.114
95 1HB ARG 14 1HB ARG 14 8.989 0.861 -2.539
96 2HB ARG 14 2HB ARG 14 7.383 0.245 -2.974
97 1HG ARG 14 1HG ARG 14 6.559 2.403 -3.560
98 2HG ARG 14 2HG ARG 14 8.007 3.215 -2.940
99 1HD ARG 14 1HD ARG 14 7.958 3.010 -5.422
100 2HD ARG 14 2HD ARG 14 9.386 2.265 -4.676
101 HE ARG 14 HE ARG 14 7.793 0.140 -4.796
102 1HH1 ARG 14 2HH2 ARG 14 8.327 2.549 -7.402
103 2HH1 ARG 14 1HH2 ARG 14 8.173 1.363 -8.664
104 1HH2 ARG 14 2HH1 ARG 14 8.011 -1.423 -6.639
105 2HH2 ARG 14 1HH1 ARG 14 7.577 -0.820 -8.191
106 H VAL 15 H VAL 15 5.361 -0.272 -0.959
107 HA VAL 15 HA VAL 15 6.783 -2.576 0.209
108 HB VAL 15 HB VAL 15 5.297 -2.888 1.990
109 1HG1 VAL 15 1HG1 VAL 15 5.741 -1.053 3.395
110 2HG1 VAL 15 2HG1 VAL 15 7.120 -1.206 2.273
111 3HG1 VAL 15 3HG1 VAL 15 5.894 0.051 2.013
112 1HG2 VAL 15 1HG2 VAL 15 3.718 -0.438 1.072
113 2HG2 VAL 15 2HG2 VAL 15 3.141 -2.120 1.012
114 3HG2 VAL 15 3HG2 VAL 15 3.477 -1.390 2.558
115 H CYS 16 H CYS 16 5.285 -4.578 0.328
116 HA CYS 16 HA CYS 16 3.413 -4.518 -1.996
117 1HB CYS 16 1HB CYS 16 5.464 -5.758 -2.226
118 2HB CYS 16 2HB CYS 16 5.109 -6.741 -0.841
119 H GLY 17 H GLY 17 1.346 -5.133 -1.795
120 1HA GLY 17 1HA GLY 17 0.506 -6.560 0.669
121 2HA GLY 17 2HA GLY 17 -0.576 -5.768 -0.445
122 H SER 18 H SER 18 -0.635 -8.435 0.349
123 HA SER 18 HA SER 18 0.514 -10.366 -0.862
124 1HB SER 18 1HB SER 18 -1.231 -11.890 -0.309
125 2HB SER 18 2HB SER 18 -1.262 -10.608 0.864
126 HG SER 18 HG SER 18 -3.087 -9.759 -0.019
127 H ASP 19 H ASP 19 -1.842 -8.695 -2.826
128 HA ASP 19 HA ASP 19 -2.021 -10.659 -4.929
129 1HB ASP 19 1HB ASP 19 -3.728 -9.120 -4.948
130 2HB ASP 19 2HB ASP 19 -2.714 -7.787 -4.489
131 H GLY 20 H GLY 20 0.674 -8.772 -3.881
132 1HA GLY 20 1HA GLY 20 2.774 -8.564 -5.057
133 2HA GLY 20 2HA GLY 20 1.933 -8.742 -6.600
134 H ASN 21 H ASN 21 -0.101 -7.012 -4.831
135 HA ASN 21 HA ASN 21 0.031 -4.626 -6.229
136 1HB ASN 21 1HB ASN 21 -1.777 -5.928 -4.554
137 2HB ASN 21 2HB ASN 21 -1.387 -4.555 -3.594
138 1HD2 ASN 21 1HD2 ASN 21 -2.341 -5.504 -6.912
139 2HD2 ASN 21 2HD2 ASN 21 -3.351 -4.070 -7.197
140 H THR 22 H THR 22 2.233 -3.793 -5.997
141 HA THR 22 HA THR 22 3.221 -3.149 -3.467
142 HB THR 22 HB THR 22 4.075 -2.097 -6.156
143 HG1 THR 22 HG1 THR 22 4.133 -4.423 -5.595
144 1HG2 THR 22 1HG2 THR 22 4.874 -0.645 -4.231
145 2HG2 THR 22 2HG2 THR 22 5.581 -2.081 -3.490
146 3HG2 THR 22 3HG2 THR 22 6.186 -1.505 -5.039
147 H TYR 23 H TYR 23 3.168 -1.140 -2.340
148 HA TYR 23 HA TYR 23 1.401 1.026 -3.331
149 1HB TYR 23 1HB TYR 23 1.681 -0.165 -0.527
150 2HB TYR 23 2HB TYR 23 0.950 1.389 -0.855
151 HD1 TYR 23 HD1 TYR 23 0.569 -2.257 -1.230
152 HD2 TYR 23 HD2 TYR 23 -1.277 1.584 -1.930
153 HE1 TYR 23 HE1 TYR 23 -1.545 -3.381 -1.800
154 HE2 TYR 23 HE2 TYR 23 -3.377 0.447 -2.597
155 HH TYR 23 HH TYR 23 -3.511 -2.488 -3.646
156 H SER 24 H SER 24 2.125 3.090 -2.676
157 HA SER 24 HA SER 24 4.839 3.606 -2.718
158 1HB SER 24 1HB SER 24 2.901 5.182 -3.180
159 2HB SER 24 2HB SER 24 2.778 5.412 -1.424
160 HG SER 24 HG SER 24 4.852 6.287 -1.407
161 H ASN 25 H ASN 25 2.845 2.823 0.146
162 HA ASN 25 HA ASN 25 5.123 2.498 1.810
163 1HB ASN 25 1HB ASN 25 4.363 4.236 3.540
164 2HB ASN 25 2HB ASN 25 5.116 4.886 2.104
165 1HD2 ASN 25 1HD2 ASN 25 3.947 6.426 0.921
166 2HD2 ASN 25 2HD2 ASN 25 2.286 6.859 1.354
167 HA PRO 26 HA PRO 26 2.214 -0.271 3.565
168 1HB PRO 26 1HB PRO 26 2.838 -0.512 6.185
169 2HB PRO 26 2HB PRO 26 3.884 -1.102 4.860
170 1HG PRO 26 1HG PRO 26 4.153 1.440 6.419
171 2HG PRO 26 2HG PRO 26 5.413 0.258 5.931
172 1HD PRO 26 1HD PRO 26 4.894 2.607 4.625
173 2HD PRO 26 2HD PRO 26 5.547 1.190 3.797
174 H CYS 27 H CYS 27 2.302 2.986 4.791
175 HA CYS 27 HA CYS 27 -0.082 2.841 6.387
176 1HB CYS 27 1HB CYS 27 1.797 4.672 6.344
177 2HB CYS 27 2HB CYS 27 0.872 5.360 5.015
178 H MET 28 H MET 28 0.573 3.872 2.985
179 HA MET 28 HA MET 28 -2.150 4.316 2.287
180 1HB MET 28 1HB MET 28 0.325 3.672 0.669
181 2HB MET 28 2HB MET 28 -1.270 3.804 -0.093
182 1HG MET 28 1HG MET 28 -1.590 6.047 0.737
183 2HG MET 28 2HG MET 28 -0.125 5.965 1.706
184 1HE MET 28 1HE MET 28 -1.572 5.989 -1.950
185 2HE MET 28 2HE MET 28 -0.109 6.228 -2.933
186 3HE MET 28 3HE MET 28 -0.373 4.681 -2.104
187 H LEU 29 H LEU 29 -0.249 1.295 2.264
188 HA LEU 29 HA LEU 29 -2.287 -0.408 1.165
189 1HB LEU 29 1HB LEU 29 -0.197 -1.203 1.237
190 2HB LEU 29 2HB LEU 29 0.085 -0.869 2.972
191 HG LEU 29 HG LEU 29 -1.595 -2.938 1.884
192 1HD1 LEU 29 1HD1 LEU 29 1.321 -3.074 2.579
193 2HD1 LEU 29 2HD1 LEU 29 0.333 -4.514 2.258
194 3HD1 LEU 29 3HD1 LEU 29 0.587 -3.323 0.988
195 1HD2 LEU 29 1HD2 LEU 29 -2.186 -2.833 4.182
196 2HD2 LEU 29 2HD2 LEU 29 -1.004 -4.123 4.124
197 3HD2 LEU 29 3HD2 LEU 29 -0.492 -2.523 4.670
198 H THR 30 H THR 30 -1.325 -0.137 4.585
199 HA THR 30 HA THR 30 -3.641 -1.434 5.511
200 HB THR 30 HB THR 30 -1.489 -0.588 6.769
201 HG1 THR 30 HG1 THR 30 -2.506 -1.224 8.639
202 1HG2 THR 30 1HG2 THR 30 -1.912 1.142 8.361
203 2HG2 THR 30 2HG2 THR 30 -2.179 1.768 6.722
204 3HG2 THR 30 3HG2 THR 30 -3.574 1.370 7.749
205 H CYS 31 H CYS 31 -3.271 2.058 4.793
206 HA CYS 31 HA CYS 31 -5.675 2.942 5.671
207 1HB CYS 31 1HB CYS 31 -4.231 4.617 4.811
208 2HB CYS 31 2HB CYS 31 -3.918 3.712 3.350
209 H ALA 32 H ALA 32 -4.949 2.025 2.289
210 HA ALA 32 HA ALA 32 -7.404 1.702 1.112
211 1HB ALA 32 1HB ALA 32 -6.337 0.041 -0.289
212 2HB ALA 32 2HB ALA 32 -5.257 1.441 0.016
213 3HB ALA 32 3HB ALA 32 -4.993 -0.103 0.855
214 H LYS 33 H LYS 33 -5.718 -0.634 3.080
215 HA LYS 33 HA LYS 33 -7.426 -2.873 2.827
216 1HB LYS 33 1HB LYS 33 -5.132 -2.861 3.847
217 2HB LYS 33 2HB LYS 33 -5.834 -2.157 5.302
218 1HG LYS 33 1HG LYS 33 -7.340 -4.042 5.567
219 2HG LYS 33 2HG LYS 33 -6.741 -4.767 4.062
220 1HD LYS 33 1HD LYS 33 -4.614 -5.182 4.883
221 2HD LYS 33 2HD LYS 33 -4.814 -4.198 6.278
222 1HE LYS 33 1HE LYS 33 -6.577 -6.588 5.602
223 2HE LYS 33 2HE LYS 33 -5.122 -6.753 6.577
224 1HZ LYS 33 1HZ LYS 33 -7.506 -5.136 7.263
225 2HZ LYS 33 2HZ LYS 33 -7.133 -6.589 7.919
226 3HZ LYS 33 3HZ LYS 33 -6.173 -5.277 8.224
227 H HIS 34 H HIS 34 -7.347 -0.565 5.510
228 HA HIS 34 HA HIS 34 -9.861 -1.362 6.666
229 1HB HIS 34 1HB HIS 34 -8.085 1.094 6.834
230 2HB HIS 34 2HB HIS 34 -9.540 0.905 7.776
231 HD1 HIS 34 HD1 HIS 34 -5.946 -0.105 7.589
232 HD2 HIS 34 HD2 HIS 34 -9.418 -1.373 9.589
233 HE1 HIS 34 HE1 HIS 34 -5.161 -1.609 9.520
234 H GLU 35 H GLU 35 -8.926 0.890 4.138
235 HA GLU 35 HA GLU 35 -11.329 2.407 4.195
236 1HB GLU 35 1HB GLU 35 -9.058 3.004 3.162
237 2HB GLU 35 2HB GLU 35 -9.599 2.150 1.733
238 1HG GLU 35 1HG GLU 35 -11.268 4.314 2.902
239 2HG GLU 35 2HG GLU 35 -9.817 4.790 2.096
240 H GLY 36 H GLY 36 -10.311 -0.089 1.829
241 1HA GLY 36 1HA GLY 36 -13.021 -1.215 1.637
242 2HA GLY 36 2HA GLY 36 -12.482 -0.291 0.231
243 H ASN 37 H ASN 37 -10.040 -2.137 2.073
244 HA ASN 37 HA ASN 37 -10.162 -4.347 0.062
245 1HB ASN 37 1HB ASN 37 -8.278 -2.388 -0.313
246 2HB ASN 37 2HB ASN 37 -7.462 -3.244 0.887
247 1HD2 ASN 37 1HD2 ASN 37 -6.360 -3.025 -1.643
248 2HD2 ASN 37 2HD2 ASN 37 -6.371 -4.638 -2.329
249 HA PRO 38 HA PRO 38 -9.585 -5.152 4.712
250 1HB PRO 38 1HB PRO 38 -11.599 -7.015 5.179
251 2HB PRO 38 2HB PRO 38 -11.756 -5.242 5.365
252 1HG PRO 38 1HG PRO 38 -12.543 -6.949 2.990
253 2HG PRO 38 2HG PRO 38 -13.483 -5.642 3.780
254 1HD PRO 38 1HD PRO 38 -12.073 -5.183 1.504
255 2HD PRO 38 2HD PRO 38 -12.125 -3.958 2.814
256 H ASP 39 H ASP 39 -10.049 -7.265 2.031
257 HA ASP 39 HA ASP 39 -8.847 -9.692 2.605
258 1HB ASP 39 1HB ASP 39 -9.121 -7.876 0.163
259 2HB ASP 39 2HB ASP 39 -8.572 -9.533 0.059
260 H LEU 40 H LEU 40 -7.369 -6.592 1.923
261 HA LEU 40 HA LEU 40 -4.775 -7.586 0.934
262 1HB LEU 40 1HB LEU 40 -5.248 -5.456 0.118
263 2HB LEU 40 2HB LEU 40 -6.075 -4.978 1.586
264 HG LEU 40 HG LEU 40 -4.142 -4.579 2.754
265 1HD1 LEU 40 1HD1 LEU 40 -2.718 -5.980 0.858
266 2HD1 LEU 40 2HD1 LEU 40 -2.279 -4.317 0.504
267 3HD1 LEU 40 3HD1 LEU 40 -2.069 -4.977 2.170
268 1HD2 LEU 40 1HD2 LEU 40 -5.253 -2.743 1.455
269 2HD2 LEU 40 2HD2 LEU 40 -3.543 -2.436 1.649
270 3HD2 LEU 40 3HD2 LEU 40 -4.158 -3.034 0.108
271 H VAL 41 H VAL 41 -2.768 -7.315 2.157
272 HA VAL 41 HA VAL 41 -2.880 -7.098 5.033
273 HB VAL 41 HB VAL 41 -1.675 -9.262 5.260
274 1HG1 VAL 41 1HG1 VAL 41 -4.150 -9.095 5.642
275 2HG1 VAL 41 2HG1 VAL 41 -4.382 -9.749 3.995
276 3HG1 VAL 41 3HG1 VAL 41 -3.551 -10.720 5.215
277 1HG2 VAL 41 1HG2 VAL 41 -0.892 -9.571 2.936
278 2HG2 VAL 41 2HG2 VAL 41 -1.787 -10.973 3.511
279 3HG2 VAL 41 3HG2 VAL 41 -2.581 -9.836 2.413
280 H GLN 42 H GLN 42 -0.692 -6.810 5.843
281 HA GLN 42 HA GLN 42 1.304 -5.941 3.886
282 1HB GLN 42 1HB GLN 42 0.901 -4.890 6.207
283 2HB GLN 42 2HB GLN 42 1.631 -6.332 6.895
284 1HG GLN 42 1HG GLN 42 3.384 -4.717 6.702
285 2HG GLN 42 2HG GLN 42 3.675 -5.864 5.389
286 1HE2 GLN 42 1HE2 GLN 42 4.203 -4.767 3.382
287 2HE2 GLN 42 2HE2 GLN 42 3.535 -3.197 3.037
288 H VAL 43 H VAL 43 1.523 -7.942 2.672
289 HA VAL 43 HA VAL 43 2.247 -10.392 3.786
290 HB VAL 43 HB VAL 43 3.636 -10.638 1.540
291 1HG1 VAL 43 1HG1 VAL 43 1.648 -11.416 0.508
292 2HG1 VAL 43 2HG1 VAL 43 1.546 -11.769 2.225
293 3HG1 VAL 43 3HG1 VAL 43 0.644 -10.374 1.582
294 1HG2 VAL 43 1HG2 VAL 43 1.748 -8.323 0.917
295 2HG2 VAL 43 2HG2 VAL 43 3.521 -8.293 0.798
296 3HG2 VAL 43 3HG2 VAL 43 2.577 -9.316 -0.290
297 H HIS 44 H HIS 44 4.253 -7.601 2.760
298 HA HIS 44 HA HIS 44 6.056 -8.020 4.935
299 1HB HIS 44 1HB HIS 44 8.051 -8.338 3.538
300 2HB HIS 44 2HB HIS 44 6.977 -9.690 3.419
301 HD1 HIS 44 HD1 HIS 44 8.096 -6.639 1.312
302 HD2 HIS 44 HD2 HIS 44 6.262 -10.431 1.007
303 HE1 HIS 44 HE1 HIS 44 7.946 -7.189 -1.183
304 H GLU 45 H GLU 45 7.509 -6.142 5.074
305 HA GLU 45 HA GLU 45 6.635 -3.685 3.683
306 1HB GLU 45 1HB GLU 45 7.720 -4.241 6.209
307 2HB GLU 45 2HB GLU 45 9.110 -3.633 5.347
308 1HG GLU 45 1HG GLU 45 6.388 -2.229 5.402
309 2HG GLU 45 2HG GLU 45 7.575 -2.005 6.669
310 H GLY 46 H GLY 46 8.881 -2.501 2.769
311 1HA GLY 46 1HA GLY 46 10.015 -2.449 0.801
312 2HA GLY 46 2HA GLY 46 10.580 -4.096 1.125
313 HA PRO 47 HA PRO 47 7.073 -3.762 -2.042
314 1HB PRO 47 1HB PRO 47 7.994 -2.973 -4.375
315 2HB PRO 47 2HB PRO 47 7.963 -1.841 -3.003
316 1HG PRO 47 1HG PRO 47 10.363 -3.473 -3.929
317 2HG PRO 47 2HG PRO 47 10.274 -1.697 -3.684
318 1HD PRO 47 1HD PRO 47 11.133 -3.410 -1.712
319 2HD PRO 47 2HD PRO 47 10.210 -1.922 -1.347
320 H CYS 48 H CYS 48 6.325 -5.054 -3.875
321 HA CYS 48 HA CYS 48 7.864 -7.533 -4.385
322 1HB CYS 48 1HB CYS 48 5.062 -6.621 -5.137
323 2HB CYS 48 2HB CYS 48 5.828 -8.040 -5.834
324 H ASP 49 H ASP 49 6.375 -4.796 -6.306
325 HA ASP 49 HA ASP 49 7.954 -5.398 -8.537
326 1HB ASP 49 1HB ASP 49 5.887 -4.358 -9.027
327 2HB ASP 49 2HB ASP 49 6.161 -3.083 -7.824
328 H GLU 50 H GLU 50 9.901 -4.516 -9.061
329 HA GLU 50 HA GLU 50 10.762 -1.970 -8.101
330 1HB GLU 50 1HB GLU 50 11.478 -3.709 -6.277
331 2HB GLU 50 2HB GLU 50 12.692 -4.238 -7.437
332 1HG GLU 50 1HG GLU 50 13.716 -2.010 -7.418
333 2HG GLU 50 2HG GLU 50 12.347 -1.339 -6.525
334 H HIS 51 H HIS 51 9.875 -3.149 -10.560
335 HA HIS 51 HA HIS 51 12.361 -3.504 -12.158
336 1HB HIS 51 1HB HIS 51 11.429 -5.662 -11.583
337 2HB HIS 51 2HB HIS 51 9.820 -5.160 -12.096
338 HD1 HIS 51 HD1 HIS 51 9.936 -4.290 -14.842
339 HD2 HIS 51 HD2 HIS 51 12.542 -7.236 -13.378
340 HE1 HIS 51 HE1 HIS 51 10.748 -5.673 -16.908
341 H ASP 52 H ASP 52 12.307 -1.366 -12.949
342 HA ASP 52 HA ASP 52 10.961 -1.032 -15.350
343 1HB ASP 52 1HB ASP 52 9.686 0.950 -14.941
344 2HB ASP 52 2HB ASP 52 9.052 -0.260 -13.848
345 H HIS 53 H HIS 53 11.609 1.280 -16.151
346 HA HIS 53 HA HIS 53 13.929 2.493 -14.980
347 1HB HIS 53 1HB HIS 53 15.006 0.494 -15.959
348 2HB HIS 53 2HB HIS 53 14.230 0.809 -17.511
349 HD1 HIS 53 HD1 HIS 53 16.184 3.360 -15.298
350 HD2 HIS 53 HD2 HIS 53 16.194 1.496 -19.076
351 HE1 HIS 53 HE1 HIS 53 18.096 4.410 -16.627
352 H ASP 54 H ASP 54 12.951 4.516 -15.201
353 HA ASP 54 HA ASP 54 11.454 5.128 -17.628
354 1HB ASP 54 1HB ASP 54 10.523 6.885 -16.257
355 2HB ASP 54 2HB ASP 54 10.435 5.356 -15.403
356 H PHE 55 H PHE 55 11.708 7.455 -18.410
357 HA PHE 55 HA PHE 55 14.582 7.989 -18.867
358 1HB PHE 55 2HB PHE 55 13.868 9.105 -20.922
359 2HB PHE 55 1HB PHE 55 13.463 7.400 -20.901
360 HD1 PHE 55 HD1 PHE 55 11.990 10.817 -20.377
361 HD2 PHE 55 HD2 PHE 55 11.225 6.681 -21.322
362 HE1 PHE 55 HE1 PHE 55 9.652 11.385 -20.967
363 HE2 PHE 55 HE2 PHE 55 8.884 7.253 -21.916
364 HZ PHE 55 HZ PHE 55 8.091 9.606 -21.739
Start of MODEL 14
1 1H PHE 1 1H PHE 1 -15.683 5.287 5.333
2 2H PHE 1 2H PHE 1 -15.201 6.858 5.116
3 3H PHE 1 3H PHE 1 -15.792 5.985 3.851
4 HA PHE 1 HA PHE 1 -13.228 5.450 5.217
5 1HB PHE 1 2HB PHE 1 -13.649 3.972 2.811
6 2HB PHE 1 1HB PHE 1 -13.081 3.533 4.408
7 HD1 PHE 1 HD1 PHE 1 -16.051 3.688 2.227
8 HD2 PHE 1 HD2 PHE 1 -14.553 2.613 6.134
9 HE1 PHE 1 HE1 PHE 1 -18.186 2.536 2.738
10 HE2 PHE 1 HE2 PHE 1 -16.686 1.465 6.632
11 HZ PHE 1 HZ PHE 1 -18.510 1.423 4.940
12 H GLN 2 H GLN 2 -12.438 7.473 4.943
13 HA GLN 2 HA GLN 2 -11.024 7.838 2.588
14 1HB GLN 2 1HB GLN 2 -11.845 10.093 1.988
15 2HB GLN 2 2HB GLN 2 -12.918 8.769 1.538
16 1HG GLN 2 1HG GLN 2 -14.327 9.268 3.562
17 2HG GLN 2 2HG GLN 2 -13.283 10.671 3.889
18 1HE2 GLN 2 1HE2 GLN 2 -14.019 12.641 3.009
19 2HE2 GLN 2 2HE2 GLN 2 -15.131 12.697 1.648
20 H GLY 3 H GLY 3 -9.197 8.796 3.354
21 1HA GLY 3 1HA GLY 3 -7.834 10.324 4.401
22 2HA GLY 3 2HA GLY 3 -9.274 11.145 4.991
23 H ASN 4 H ASN 4 -10.304 9.086 6.711
24 HA ASN 4 HA ASN 4 -8.563 9.301 9.044
25 1HB ASN 4 1HB ASN 4 -11.150 7.818 8.485
26 2HB ASN 4 2HB ASN 4 -10.164 7.370 9.876
27 1HD2 ASN 4 1HD2 ASN 4 -10.593 10.719 8.564
28 2HD2 ASN 4 2HD2 ASN 4 -11.361 11.296 10.042
29 HA PRO 5 HA PRO 5 -7.153 4.802 7.777
30 1HB PRO 5 1HB PRO 5 -7.431 4.506 4.974
31 2HB PRO 5 2HB PRO 5 -8.236 3.572 6.254
32 1HG PRO 5 1HG PRO 5 -9.184 5.835 4.661
33 2HG PRO 5 2HG PRO 5 -10.084 4.445 5.375
34 1HD PRO 5 1HD PRO 5 -10.235 6.957 6.413
35 2HD PRO 5 2HD PRO 5 -10.249 5.516 7.460
36 H CYS 6 H CYS 6 -6.980 7.555 5.432
37 HA CYS 6 HA CYS 6 -4.033 7.178 5.232
38 1HB CYS 6 1HB CYS 6 -6.117 8.258 3.358
39 2HB CYS 6 2HB CYS 6 -4.479 8.868 3.253
40 H GLU 7 H GLU 7 -4.235 8.213 7.555
41 HA GLU 7 HA GLU 7 -4.202 11.128 7.537
42 1HB GLU 7 1HB GLU 7 -4.866 9.586 9.414
43 2HB GLU 7 2HB GLU 7 -3.183 9.160 9.638
44 1HG GLU 7 1HG GLU 7 -4.000 12.089 9.671
45 2HG GLU 7 2HG GLU 7 -4.503 11.081 11.015
46 H CYS 8 H CYS 8 -2.173 9.072 6.095
47 HA CYS 8 HA CYS 8 0.354 9.746 7.364
48 1HB CYS 8 1HB CYS 8 -0.823 7.625 5.635
49 2HB CYS 8 2HB CYS 8 0.892 7.881 5.405
50 HA PRO 9 HA PRO 9 2.153 12.290 4.325
51 1HB PRO 9 1HB PRO 9 4.808 11.711 4.362
52 2HB PRO 9 2HB PRO 9 3.968 12.301 5.831
53 1HG PRO 9 1HG PRO 9 4.624 9.432 5.084
54 2HG PRO 9 2HG PRO 9 4.918 10.263 6.643
55 1HD PRO 9 1HD PRO 9 2.726 8.682 6.108
56 2HD PRO 9 2HD PRO 9 2.658 10.027 7.262
57 H ARG 10 H ARG 10 3.272 12.443 2.243
58 HA ARG 10 HA ARG 10 2.761 10.147 0.474
59 1HB ARG 10 1HB ARG 10 4.028 12.835 -0.219
60 2HB ARG 10 2HB ARG 10 3.273 11.688 -1.327
61 1HG ARG 10 1HG ARG 10 1.045 12.147 -0.216
62 2HG ARG 10 2HG ARG 10 1.850 13.329 0.827
63 1HD ARG 10 1HD ARG 10 0.908 14.632 -0.845
64 2HD ARG 10 2HD ARG 10 2.628 14.534 -1.267
65 HE ARG 10 HE ARG 10 1.134 12.453 -2.559
66 1HH1 ARG 10 2HH2 ARG 10 1.802 15.910 -2.784
67 2HH1 ARG 10 1HH2 ARG 10 1.218 16.098 -4.400
68 1HH2 ARG 10 2HH1 ARG 10 0.298 12.672 -4.717
69 2HH2 ARG 10 1HH1 ARG 10 0.358 14.193 -5.523
70 H ALA 11 H ALA 11 4.637 9.461 2.382
71 HA ALA 11 HA ALA 11 7.274 9.607 1.464
72 1HB ALA 11 1HB ALA 11 7.667 7.844 3.182
73 2HB ALA 11 2HB ALA 11 6.750 9.209 3.840
74 3HB ALA 11 3HB ALA 11 5.912 7.697 3.412
75 H LEU 12 H LEU 12 8.160 8.496 -0.222
76 HA LEU 12 HA LEU 12 6.721 6.382 -1.578
77 1HB LEU 12 1HB LEU 12 9.343 7.931 -1.814
78 2HB LEU 12 2HB LEU 12 9.063 6.557 -2.841
79 HG LEU 12 HG LEU 12 8.592 8.704 -3.872
80 1HD1 LEU 12 1HD1 LEU 12 7.617 6.586 -4.749
81 2HD1 LEU 12 2HD1 LEU 12 6.162 6.850 -3.756
82 3HD1 LEU 12 3HD1 LEU 12 6.571 7.978 -5.066
83 1HD2 LEU 12 1HD2 LEU 12 6.571 9.948 -3.514
84 2HD2 LEU 12 2HD2 LEU 12 6.088 8.868 -2.194
85 3HD2 LEU 12 3HD2 LEU 12 7.524 9.906 -2.028
86 H HIS 13 H HIS 13 7.102 5.458 0.989
87 HA HIS 13 HA HIS 13 9.620 3.886 1.118
88 1HB HIS 13 1HB HIS 13 8.579 5.193 3.095
89 2HB HIS 13 2HB HIS 13 7.451 3.853 3.242
90 HD1 HIS 13 HD1 HIS 13 9.158 1.207 3.368
91 HD2 HIS 13 HD2 HIS 13 10.693 5.035 4.456
92 HE1 HIS 13 HE1 HIS 13 11.207 0.824 4.699
93 H ARG 14 H ARG 14 8.644 2.995 -0.931
94 HA ARG 14 HA ARG 14 6.259 1.744 -1.249
95 1HB ARG 14 1HB ARG 14 8.943 1.171 -2.548
96 2HB ARG 14 2HB ARG 14 7.439 0.468 -3.131
97 1HG ARG 14 1HG ARG 14 7.356 3.435 -2.758
98 2HG ARG 14 2HG ARG 14 8.455 2.859 -4.013
99 1HD ARG 14 1HD ARG 14 5.546 1.977 -3.808
100 2HD ARG 14 2HD ARG 14 6.069 3.357 -4.772
101 HE ARG 14 HE ARG 14 6.601 0.485 -5.235
102 1HH1 ARG 14 2HH2 ARG 14 7.130 3.807 -6.365
103 2HH1 ARG 14 1HH2 ARG 14 7.857 3.338 -7.869
104 1HH2 ARG 14 2HH1 ARG 14 7.480 -0.143 -7.311
105 2HH2 ARG 14 1HH1 ARG 14 8.019 1.050 -8.423
106 H VAL 15 H VAL 15 5.276 -0.259 -1.037
107 HA VAL 15 HA VAL 15 6.848 -2.478 0.166
108 HB VAL 15 HB VAL 15 5.169 -2.895 1.814
109 1HG1 VAL 15 1HG1 VAL 15 5.601 -1.109 3.318
110 2HG1 VAL 15 2HG1 VAL 15 7.017 -1.263 2.267
111 3HG1 VAL 15 3HG1 VAL 15 5.846 0.030 1.981
112 1HG2 VAL 15 1HG2 VAL 15 3.329 -1.418 2.303
113 2HG2 VAL 15 2HG2 VAL 15 3.703 -0.387 0.894
114 3HG2 VAL 15 3HG2 VAL 15 3.126 -2.063 0.694
115 H CYS 16 H CYS 16 5.836 -4.589 -0.054
116 HA CYS 16 HA CYS 16 3.949 -4.715 -2.347
117 1HB CYS 16 1HB CYS 16 5.964 -5.913 -2.421
118 2HB CYS 16 2HB CYS 16 5.660 -6.741 -0.931
119 H GLY 17 H GLY 17 1.840 -5.442 -2.197
120 1HA GLY 17 1HA GLY 17 0.837 -6.438 0.399
121 2HA GLY 17 2HA GLY 17 -0.129 -5.969 -1.009
122 H SER 18 H SER 18 -0.375 -8.398 0.292
123 HA SER 18 HA SER 18 0.769 -10.611 -0.563
124 1HB SER 18 1HB SER 18 -1.274 -11.759 0.085
125 2HB SER 18 2HB SER 18 -1.054 -10.340 1.066
126 HG SER 18 HG SER 18 -2.939 -10.670 -0.954
127 H ASP 19 H ASP 19 -0.977 -8.784 -2.970
128 HA ASP 19 HA ASP 19 -1.179 -11.204 -4.702
129 1HB ASP 19 1HB ASP 19 -2.941 -9.431 -4.694
130 2HB ASP 19 2HB ASP 19 -1.747 -8.298 -5.333
131 H GLY 20 H GLY 20 1.331 -9.035 -3.781
132 1HA GLY 20 1HA GLY 20 3.474 -8.863 -4.925
133 2HA GLY 20 2HA GLY 20 2.685 -9.209 -6.453
134 H ASN 21 H ASN 21 0.433 -7.442 -5.049
135 HA ASN 21 HA ASN 21 0.752 -5.178 -6.628
136 1HB ASN 21 1HB ASN 21 -1.311 -4.459 -5.578
137 2HB ASN 21 2HB ASN 21 -1.403 -6.088 -6.219
138 1HD2 ASN 21 1HD2 ASN 21 -3.209 -4.877 -4.343
139 2HD2 ASN 21 2HD2 ASN 21 -3.140 -5.914 -2.911
140 H THR 22 H THR 22 2.593 -4.019 -6.142
141 HA THR 22 HA THR 22 3.361 -3.306 -3.559
142 HB THR 22 HB THR 22 4.207 -2.199 -6.216
143 HG1 THR 22 HG1 THR 22 4.555 -4.448 -5.688
144 1HG2 THR 22 1HG2 THR 22 5.593 -1.907 -3.502
145 2HG2 THR 22 2HG2 THR 22 6.190 -1.341 -5.038
146 3HG2 THR 22 3HG2 THR 22 4.753 -0.587 -4.346
147 H TYR 23 H TYR 23 3.121 -1.338 -2.411
148 HA TYR 23 HA TYR 23 1.206 0.740 -3.336
149 1HB TYR 23 1HB TYR 23 1.509 -0.608 -0.614
150 2HB TYR 23 2HB TYR 23 0.859 1.005 -0.758
151 HD1 TYR 23 HD1 TYR 23 0.269 -2.518 -1.864
152 HD2 TYR 23 HD2 TYR 23 -1.442 1.396 -1.227
153 HE1 TYR 23 HE1 TYR 23 -1.962 -3.441 -2.263
154 HE2 TYR 23 HE2 TYR 23 -3.700 0.477 -1.621
155 HH TYR 23 HH TYR 23 -4.199 -2.901 -2.658
156 H SER 24 H SER 24 1.748 2.869 -2.555
157 HA SER 24 HA SER 24 4.368 3.605 -2.768
158 1HB SER 24 1HB SER 24 2.262 5.213 -1.310
159 2HB SER 24 2HB SER 24 3.582 5.804 -2.330
160 HG SER 24 HG SER 24 1.659 5.822 -3.506
161 H ASN 25 H ASN 25 2.660 2.779 0.242
162 HA ASN 25 HA ASN 25 5.012 2.452 1.722
163 1HB ASN 25 1HB ASN 25 4.366 4.114 3.601
164 2HB ASN 25 2HB ASN 25 5.105 4.814 2.190
165 1HD2 ASN 25 1HD2 ASN 25 4.059 6.601 1.385
166 2HD2 ASN 25 2HD2 ASN 25 2.454 7.096 1.935
167 HA PRO 26 HA PRO 26 2.103 -0.256 3.526
168 1HB PRO 26 1HB PRO 26 2.828 -0.617 6.143
169 2HB PRO 26 2HB PRO 26 3.794 -1.206 4.757
170 1HG PRO 26 1HG PRO 26 4.263 1.229 6.435
171 2HG PRO 26 2HG PRO 26 5.451 0.062 5.766
172 1HD PRO 26 1HD PRO 26 4.835 2.519 4.701
173 2HD PRO 26 2HD PRO 26 5.513 1.194 3.745
174 H CYS 27 H CYS 27 2.274 2.935 4.820
175 HA CYS 27 HA CYS 27 -0.127 2.765 6.395
176 1HB CYS 27 1HB CYS 27 1.774 4.604 6.381
177 2HB CYS 27 2HB CYS 27 0.822 5.302 5.072
178 H MET 28 H MET 28 0.585 3.833 3.006
179 HA MET 28 HA MET 28 -2.088 4.343 2.220
180 1HB MET 28 1HB MET 28 0.249 3.315 0.573
181 2HB MET 28 2HB MET 28 -1.278 3.817 -0.101
182 1HG MET 28 1HG MET 28 0.155 5.730 1.740
183 2HG MET 28 2HG MET 28 0.833 5.450 0.152
184 1HE MET 28 1HE MET 28 -2.301 5.256 -1.557
185 2HE MET 28 2HE MET 28 -1.737 6.773 -2.303
186 3HE MET 28 3HE MET 28 -0.574 5.465 -1.952
187 H LEU 29 H LEU 29 -0.270 1.274 2.238
188 HA LEU 29 HA LEU 29 -2.306 -0.449 1.213
189 1HB LEU 29 1HB LEU 29 -0.154 -1.178 1.381
190 2HB LEU 29 2HB LEU 29 -0.019 -0.853 3.133
191 HG LEU 29 HG LEU 29 -1.391 -3.014 1.781
192 1HD1 LEU 29 1HD1 LEU 29 0.478 -4.434 2.657
193 2HD1 LEU 29 2HD1 LEU 29 1.041 -3.162 1.573
194 3HD1 LEU 29 3HD1 LEU 29 1.202 -2.959 3.328
195 1HD2 LEU 29 1HD2 LEU 29 -0.952 -2.599 4.781
196 2HD2 LEU 29 2HD2 LEU 29 -2.518 -2.854 3.954
197 3HD2 LEU 29 3HD2 LEU 29 -1.362 -4.169 4.091
198 H THR 30 H THR 30 -1.412 -0.105 4.673
199 HA THR 30 HA THR 30 -3.762 -1.376 5.512
200 HB THR 30 HB THR 30 -1.647 -0.630 6.839
201 HG1 THR 30 HG1 THR 30 -4.175 -0.764 8.102
202 1HG2 THR 30 1HG2 THR 30 -1.986 1.114 8.433
203 2HG2 THR 30 2HG2 THR 30 -2.181 1.767 6.793
204 3HG2 THR 30 3HG2 THR 30 -3.615 1.463 7.795
205 H CYS 31 H CYS 31 -3.331 2.059 4.800
206 HA CYS 31 HA CYS 31 -5.652 3.115 5.759
207 1HB CYS 31 1HB CYS 31 -4.125 4.679 4.826
208 2HB CYS 31 2HB CYS 31 -3.863 3.704 3.402
209 H ALA 32 H ALA 32 -5.043 2.107 2.389
210 HA ALA 32 HA ALA 32 -7.575 1.839 1.329
211 1HB ALA 32 1HB ALA 32 -6.567 0.210 -0.153
212 2HB ALA 32 2HB ALA 32 -5.507 1.636 0.110
213 3HB ALA 32 3HB ALA 32 -5.152 0.087 0.922
214 H LYS 33 H LYS 33 -5.769 -0.571 3.135
215 HA LYS 33 HA LYS 33 -7.529 -2.760 2.976
216 1HB LYS 33 1HB LYS 33 -5.193 -2.765 3.984
217 2HB LYS 33 2HB LYS 33 -5.925 -2.165 5.475
218 1HG LYS 33 1HG LYS 33 -7.426 -4.078 5.579
219 2HG LYS 33 2HG LYS 33 -6.808 -4.672 4.023
220 1HD LYS 33 1HD LYS 33 -4.721 -5.193 4.816
221 2HD LYS 33 2HD LYS 33 -4.882 -4.291 6.238
222 1HE LYS 33 1HE LYS 33 -6.709 -6.610 5.550
223 2HE LYS 33 2HE LYS 33 -5.194 -6.847 6.420
224 1HZ LYS 33 1HZ LYS 33 -7.502 -5.253 7.344
225 2HZ LYS 33 2HZ LYS 33 -7.074 -6.732 7.914
226 3HZ LYS 33 3HZ LYS 33 -6.091 -5.437 8.190
227 H HIS 34 H HIS 34 -7.406 -0.398 5.668
228 HA HIS 34 HA HIS 34 -10.049 -1.173 6.636
229 1HB HIS 34 1HB HIS 34 -7.959 0.876 7.334
230 2HB HIS 34 2HB HIS 34 -9.613 1.286 7.709
231 HD1 HIS 34 HD1 HIS 34 -9.179 -2.390 8.174
232 HD2 HIS 34 HD2 HIS 34 -8.595 1.173 10.338
233 HE1 HIS 34 HE1 HIS 34 -9.004 -3.043 10.649
234 H GLU 35 H GLU 35 -8.973 1.029 4.099
235 HA GLU 35 HA GLU 35 -11.378 2.589 4.324
236 1HB GLU 35 1HB GLU 35 -9.037 3.197 3.240
237 2HB GLU 35 2HB GLU 35 -9.847 2.602 1.791
238 1HG GLU 35 1HG GLU 35 -11.525 4.313 1.998
239 2HG GLU 35 2HG GLU 35 -10.882 4.876 3.496
240 H GLY 36 H GLY 36 -10.444 -0.226 2.395
241 1HA GLY 36 1HA GLY 36 -13.137 -1.114 1.959
242 2HA GLY 36 2HA GLY 36 -12.594 -0.194 0.556
243 H ASN 37 H ASN 37 -10.161 -2.149 2.328
244 HA ASN 37 HA ASN 37 -10.331 -4.179 0.138
245 1HB ASN 37 1HB ASN 37 -8.459 -2.255 -0.103
246 2HB ASN 37 2HB ASN 37 -7.628 -3.184 1.052
247 1HD2 ASN 37 1HD2 ASN 37 -6.640 -2.825 -1.555
248 2HD2 ASN 37 2HD2 ASN 37 -6.651 -4.447 -2.253
249 HA PRO 38 HA PRO 38 -9.976 -5.750 4.540
250 1HB PRO 38 1HB PRO 38 -11.942 -7.694 4.509
251 2HB PRO 38 2HB PRO 38 -12.245 -5.966 4.874
252 1HG PRO 38 1HG PRO 38 -12.559 -7.387 2.207
253 2HG PRO 38 2HG PRO 38 -13.741 -6.317 3.034
254 1HD PRO 38 1HD PRO 38 -12.122 -5.356 1.085
255 2HD PRO 38 2HD PRO 38 -12.453 -4.377 2.549
256 H ASP 39 H ASP 39 -9.853 -7.189 1.415
257 HA ASP 39 HA ASP 39 -8.740 -9.775 2.063
258 1HB ASP 39 1HB ASP 39 -9.933 -8.427 -0.122
259 2HB ASP 39 2HB ASP 39 -8.279 -8.633 -0.628
260 H LEU 40 H LEU 40 -7.418 -6.539 1.785
261 HA LEU 40 HA LEU 40 -4.774 -7.335 0.723
262 1HB LEU 40 1HB LEU 40 -5.413 -5.139 0.074
263 2HB LEU 40 2HB LEU 40 -6.197 -4.821 1.621
264 HG LEU 40 HG LEU 40 -4.208 -4.520 2.742
265 1HD1 LEU 40 1HD1 LEU 40 -2.399 -4.219 0.448
266 2HD1 LEU 40 2HD1 LEU 40 -2.151 -4.967 2.070
267 3HD1 LEU 40 3HD1 LEU 40 -2.882 -5.880 0.740
268 1HD2 LEU 40 1HD2 LEU 40 -3.453 -2.398 1.725
269 2HD2 LEU 40 2HD2 LEU 40 -4.262 -2.831 0.215
270 3HD2 LEU 40 3HD2 LEU 40 -5.212 -2.557 1.665
271 H VAL 41 H VAL 41 -2.914 -7.395 2.065
272 HA VAL 41 HA VAL 41 -3.327 -7.148 4.948
273 HB VAL 41 HB VAL 41 -2.296 -9.364 5.299
274 1HG1 VAL 41 1HG1 VAL 41 -4.849 -9.685 3.711
275 2HG1 VAL 41 2HG1 VAL 41 -4.217 -10.732 4.984
276 3HG1 VAL 41 3HG1 VAL 41 -4.772 -9.091 5.398
277 1HG2 VAL 41 1HG2 VAL 41 -1.230 -9.722 3.116
278 2HG2 VAL 41 2HG2 VAL 41 -2.286 -11.067 3.544
279 3HG2 VAL 41 3HG2 VAL 41 -2.846 -9.878 2.357
280 H GLN 42 H GLN 42 -1.369 -6.916 6.085
281 HA GLN 42 HA GLN 42 0.968 -6.025 4.596
282 1HB GLN 42 1HB GLN 42 0.086 -5.092 6.856
283 2HB GLN 42 2HB GLN 42 0.744 -6.542 7.588
284 1HG GLN 42 1HG GLN 42 2.469 -4.974 7.818
285 2HG GLN 42 2HG GLN 42 2.987 -5.897 6.402
286 1HE2 GLN 42 1HE2 GLN 42 3.704 -4.526 4.650
287 2HE2 GLN 42 2HE2 GLN 42 3.095 -2.892 4.496
288 H VAL 43 H VAL 43 1.279 -8.002 3.368
289 HA VAL 43 HA VAL 43 2.076 -10.474 4.368
290 HB VAL 43 HB VAL 43 3.754 -10.283 2.295
291 1HG1 VAL 43 1HG1 VAL 43 2.049 -11.050 0.893
292 2HG1 VAL 43 2HG1 VAL 43 1.704 -11.678 2.494
293 3HG1 VAL 43 3HG1 VAL 43 0.766 -10.279 1.908
294 1HG2 VAL 43 1HG2 VAL 43 2.902 -8.791 0.552
295 2HG2 VAL 43 2HG2 VAL 43 1.611 -8.182 1.605
296 3HG2 VAL 43 3HG2 VAL 43 3.296 -7.789 1.949
297 H HIS 44 H HIS 44 3.975 -7.554 3.662
298 HA HIS 44 HA HIS 44 5.577 -7.611 5.942
299 1HB HIS 44 1HB HIS 44 7.727 -8.037 5.054
300 2HB HIS 44 2HB HIS 44 6.769 -9.437 4.734
301 HD1 HIS 44 HD1 HIS 44 6.153 -6.953 1.934
302 HD2 HIS 44 HD2 HIS 44 9.246 -9.516 3.187
303 HE1 HIS 44 HE1 HIS 44 7.509 -7.494 -0.106
304 H GLU 45 H GLU 45 7.550 -5.898 5.070
305 HA GLU 45 HA GLU 45 6.200 -3.480 4.153
306 1HB GLU 45 1HB GLU 45 7.964 -3.880 6.074
307 2HB GLU 45 2HB GLU 45 9.164 -3.880 4.805
308 1HG GLU 45 1HG GLU 45 7.194 -1.591 4.853
309 2HG GLU 45 2HG GLU 45 8.233 -1.726 6.243
310 H GLY 46 H GLY 46 8.898 -2.814 2.653
311 1HA GLY 46 1HA GLY 46 10.108 -3.187 0.813
312 2HA GLY 46 2HA GLY 46 9.900 -4.881 1.187
313 HA PRO 47 HA PRO 47 7.145 -3.548 -2.530
314 1HB PRO 47 1HB PRO 47 8.548 -2.563 -4.606
315 2HB PRO 47 2HB PRO 47 8.037 -1.560 -3.210
316 1HG PRO 47 1HG PRO 47 10.761 -2.788 -3.706
317 2HG PRO 47 2HG PRO 47 10.379 -1.112 -3.194
318 1HD PRO 47 1HD PRO 47 11.038 -3.187 -1.460
319 2HD PRO 47 2HD PRO 47 10.059 -1.779 -0.981
320 H CYS 48 H CYS 48 6.568 -5.053 -4.066
321 HA CYS 48 HA CYS 48 8.452 -7.296 -4.589
322 1HB CYS 48 1HB CYS 48 5.514 -6.799 -5.192
323 2HB CYS 48 2HB CYS 48 6.390 -8.109 -5.917
324 H ASP 49 H ASP 49 6.969 -4.493 -6.174
325 HA ASP 49 HA ASP 49 7.579 -5.356 -8.755
326 1HB ASP 49 1HB ASP 49 6.332 -3.609 -9.478
327 2HB ASP 49 2HB ASP 49 5.617 -3.994 -7.923
328 H GLU 50 H GLU 50 9.025 -4.419 -10.315
329 HA GLU 50 HA GLU 50 11.209 -2.670 -9.455
330 1HB GLU 50 1HB GLU 50 11.942 -4.896 -8.644
331 2HB GLU 50 2HB GLU 50 11.623 -5.595 -10.231
332 1HG GLU 50 1HG GLU 50 13.371 -3.713 -11.047
333 2HG GLU 50 2HG GLU 50 13.847 -3.739 -9.354
334 H HIS 51 H HIS 51 10.540 -1.254 -11.181
335 HA HIS 51 HA HIS 51 11.540 -2.011 -13.751
336 1HB HIS 51 1HB HIS 51 9.231 -3.055 -13.836
337 2HB HIS 51 2HB HIS 51 8.542 -1.457 -13.579
338 HD1 HIS 51 HD1 HIS 51 8.613 0.193 -15.753
339 HD2 HIS 51 HD2 HIS 51 10.594 -3.505 -16.192
340 HE1 HIS 51 HE1 HIS 51 8.981 -0.125 -18.226
341 H ASP 52 H ASP 52 12.684 -0.126 -14.162
342 HA ASP 52 HA ASP 52 12.069 2.409 -13.208
343 1HB ASP 52 1HB ASP 52 13.728 1.402 -15.528
344 2HB ASP 52 2HB ASP 52 13.552 3.130 -15.201
345 H HIS 53 H HIS 53 11.355 4.310 -14.394
346 HA HIS 53 HA HIS 53 9.505 3.927 -16.653
347 1HB HIS 53 1HB HIS 53 8.451 3.294 -14.336
348 2HB HIS 53 2HB HIS 53 8.461 5.014 -14.006
349 HD1 HIS 53 HD1 HIS 53 6.064 2.652 -14.812
350 HD2 HIS 53 HD2 HIS 53 7.248 6.235 -16.696
351 HE1 HIS 53 HE1 HIS 53 4.058 3.472 -16.175
352 H ASP 54 H ASP 54 11.799 5.176 -16.861
353 HA ASP 54 HA ASP 54 12.118 7.861 -16.031
354 1HB ASP 54 1HB ASP 54 13.883 6.385 -16.876
355 2HB ASP 54 2HB ASP 54 13.157 6.351 -18.474
356 H PHE 55 H PHE 55 11.080 6.664 -19.255
357 HA PHE 55 HA PHE 55 9.653 9.204 -19.794
358 1HB PHE 55 2HB PHE 55 10.060 6.898 -21.715
359 2HB PHE 55 1HB PHE 55 9.624 8.558 -22.084
360 HD1 PHE 55 HD1 PHE 55 11.569 10.317 -21.053
361 HD2 PHE 55 HD2 PHE 55 12.195 6.270 -22.395
362 HE1 PHE 55 HE1 PHE 55 13.953 10.826 -21.490
363 HE2 PHE 55 HE2 PHE 55 14.579 6.781 -22.825
364 HZ PHE 55 HZ PHE 55 15.466 9.063 -22.378
Start of MODEL 15
1 1H PHE 1 1H PHE 1 -15.989 5.469 4.777
2 2H PHE 1 2H PHE 1 -15.399 4.776 6.150
3 3H PHE 1 3H PHE 1 -15.122 6.379 5.842
4 HA PHE 1 HA PHE 1 -13.127 5.063 5.374
5 1HB PHE 1 2HB PHE 1 -13.371 3.673 3.272
6 2HB PHE 1 1HB PHE 1 -13.723 2.992 4.838
7 HD1 PHE 1 HD1 PHE 1 -15.935 2.133 5.387
8 HD2 PHE 1 HD2 PHE 1 -15.276 4.215 1.655
9 HE1 PHE 1 HE1 PHE 1 -18.180 1.458 4.594
10 HE2 PHE 1 HE2 PHE 1 -17.525 3.549 0.895
11 HZ PHE 1 HZ PHE 1 -18.989 2.178 2.360
12 H GLN 2 H GLN 2 -13.047 7.531 5.140
13 HA GLN 2 HA GLN 2 -11.344 7.230 3.079
14 1HB GLN 2 1HB GLN 2 -13.416 8.349 1.831
15 2HB GLN 2 2HB GLN 2 -12.855 9.818 2.635
16 1HG GLN 2 1HG GLN 2 -10.642 9.557 1.568
17 2HG GLN 2 2HG GLN 2 -11.101 7.966 0.949
18 1HE2 GLN 2 1HE2 GLN 2 -11.779 7.923 -1.167
19 2HE2 GLN 2 2HE2 GLN 2 -12.454 9.325 -1.996
20 H GLY 3 H GLY 3 -9.628 8.890 3.385
21 1HA GLY 3 1HA GLY 3 -8.499 10.629 4.390
22 2HA GLY 3 2HA GLY 3 -10.004 11.116 5.172
23 H ASN 4 H ASN 4 -10.614 9.097 6.876
24 HA ASN 4 HA ASN 4 -8.689 9.301 9.004
25 1HB ASN 4 1HB ASN 4 -11.058 7.411 8.652
26 2HB ASN 4 2HB ASN 4 -10.080 7.518 10.115
27 1HD2 ASN 4 1HD2 ASN 4 -9.946 9.786 11.168
28 2HD2 ASN 4 2HD2 ASN 4 -11.422 10.730 11.049
29 HA PRO 5 HA PRO 5 -7.146 4.909 7.636
30 1HB PRO 5 1HB PRO 5 -7.479 4.498 4.875
31 2HB PRO 5 2HB PRO 5 -8.258 3.608 6.202
32 1HG PRO 5 1HG PRO 5 -9.253 5.797 4.539
33 2HG PRO 5 2HG PRO 5 -10.121 4.405 5.294
34 1HD PRO 5 1HD PRO 5 -10.303 6.956 6.266
35 2HD PRO 5 2HD PRO 5 -10.327 5.533 7.340
36 H CYS 6 H CYS 6 -7.217 7.199 4.802
37 HA CYS 6 HA CYS 6 -4.278 7.213 4.792
38 1HB CYS 6 1HB CYS 6 -6.403 8.098 2.866
39 2HB CYS 6 2HB CYS 6 -4.790 8.786 2.750
40 H GLU 7 H GLU 7 -4.764 8.282 7.136
41 HA GLU 7 HA GLU 7 -4.573 11.214 6.890
42 1HB GLU 7 1HB GLU 7 -4.094 11.198 9.264
43 2HB GLU 7 2HB GLU 7 -5.543 10.265 8.897
44 1HG GLU 7 1HG GLU 7 -4.342 8.159 9.211
45 2HG GLU 7 2HG GLU 7 -2.803 9.009 9.358
46 H CYS 8 H CYS 8 -2.552 8.651 6.255
47 HA CYS 8 HA CYS 8 -0.059 9.604 7.308
48 1HB CYS 8 1HB CYS 8 -1.138 7.245 5.921
49 2HB CYS 8 2HB CYS 8 0.482 7.629 5.375
50 HA PRO 9 HA PRO 9 1.508 11.952 3.982
51 1HB PRO 9 1HB PRO 9 4.199 11.721 4.181
52 2HB PRO 9 2HB PRO 9 3.220 12.331 5.550
53 1HG PRO 9 1HG PRO 9 4.302 9.529 5.130
54 2HG PRO 9 2HG PRO 9 4.348 10.529 6.616
55 1HD PRO 9 1HD PRO 9 2.434 8.593 6.027
56 2HD PRO 9 2HD PRO 9 2.160 9.935 7.158
57 H ARG 10 H ARG 10 2.675 12.019 1.944
58 HA ARG 10 HA ARG 10 2.617 9.534 0.376
59 1HB ARG 10 1HB ARG 10 3.192 12.456 -0.281
60 2HB ARG 10 2HB ARG 10 3.329 11.160 -1.478
61 1HG ARG 10 1HG ARG 10 1.006 10.552 -1.243
62 2HG ARG 10 2HG ARG 10 0.754 11.719 0.060
63 1HD ARG 10 1HD ARG 10 1.660 12.513 -2.739
64 2HD ARG 10 2HD ARG 10 -0.033 12.412 -2.283
65 HE ARG 10 HE ARG 10 1.922 14.430 -1.494
66 1HH1 ARG 10 2HH2 ARG 10 -1.288 13.101 -0.815
67 2HH1 ARG 10 1HH2 ARG 10 -1.874 14.501 0.012
68 1HH2 ARG 10 2HH1 ARG 10 1.165 16.312 -0.374
69 2HH2 ARG 10 1HH1 ARG 10 -0.435 16.360 0.263
70 H ALA 11 H ALA 11 4.427 9.246 2.446
71 HA ALA 11 HA ALA 11 7.082 9.635 1.647
72 1HB ALA 11 1HB ALA 11 5.790 7.710 3.630
73 2HB ALA 11 2HB ALA 11 7.540 7.967 3.473
74 3HB ALA 11 3HB ALA 11 6.499 9.300 4.006
75 H LEU 12 H LEU 12 8.243 8.464 0.125
76 HA LEU 12 HA LEU 12 7.110 6.139 -1.175
77 1HB LEU 12 1HB LEU 12 9.489 8.010 -1.409
78 2HB LEU 12 2HB LEU 12 9.511 6.523 -2.295
79 HG LEU 12 HG LEU 12 8.763 8.526 -3.520
80 1HD1 LEU 12 1HD1 LEU 12 7.046 7.313 -4.833
81 2HD1 LEU 12 2HD1 LEU 12 8.370 6.240 -4.363
82 3HD1 LEU 12 3HD1 LEU 12 6.823 6.168 -3.491
83 1HD2 LEU 12 1HD2 LEU 12 6.104 8.242 -2.094
84 2HD2 LEU 12 2HD2 LEU 12 7.261 9.584 -1.923
85 3HD2 LEU 12 3HD2 LEU 12 6.471 9.294 -3.473
86 H HIS 13 H HIS 13 7.427 5.407 1.445
87 HA HIS 13 HA HIS 13 9.951 3.865 1.769
88 1HB HIS 13 1HB HIS 13 8.965 5.123 3.690
89 2HB HIS 13 2HB HIS 13 7.530 4.105 3.606
90 HD1 HIS 13 HD1 HIS 13 8.409 1.290 3.708
91 HD2 HIS 13 HD2 HIS 13 10.645 4.358 5.513
92 HE1 HIS 13 HE1 HIS 13 9.914 0.169 5.500
93 H ARG 14 H ARG 14 9.191 2.884 -0.388
94 HA ARG 14 HA ARG 14 6.754 1.736 -0.739
95 1HB ARG 14 1HB ARG 14 9.318 0.790 -2.081
96 2HB ARG 14 2HB ARG 14 7.679 0.436 -2.626
97 1HG ARG 14 1HG ARG 14 7.295 2.963 -2.803
98 2HG ARG 14 2HG ARG 14 9.029 3.151 -2.525
99 1HD ARG 14 1HD ARG 14 8.730 3.214 -4.877
100 2HD ARG 14 2HD ARG 14 9.428 1.625 -4.515
101 HE ARG 14 HE ARG 14 6.578 1.467 -4.517
102 1HH1 ARG 14 2HH2 ARG 14 9.286 1.721 -6.769
103 2HH1 ARG 14 1HH2 ARG 14 8.456 1.015 -8.113
104 1HH2 ARG 14 2HH1 ARG 14 5.397 0.591 -6.343
105 2HH2 ARG 14 1HH1 ARG 14 6.199 0.345 -7.838
106 H VAL 15 H VAL 15 5.714 -0.258 -0.709
107 HA VAL 15 HA VAL 15 7.104 -2.545 0.514
108 HB VAL 15 HB VAL 15 5.428 -3.019 2.076
109 1HG1 VAL 15 1HG1 VAL 15 7.275 -1.470 2.707
110 2HG1 VAL 15 2HG1 VAL 15 6.174 -0.118 2.407
111 3HG1 VAL 15 3HG1 VAL 15 5.812 -1.284 3.703
112 1HG2 VAL 15 1HG2 VAL 15 3.551 -1.655 2.630
113 2HG2 VAL 15 2HG2 VAL 15 3.960 -0.449 1.373
114 3HG2 VAL 15 3HG2 VAL 15 3.403 -2.082 0.950
115 H CYS 16 H CYS 16 5.594 -4.601 0.410
116 HA CYS 16 HA CYS 16 3.824 -4.374 -1.984
117 1HB CYS 16 1HB CYS 16 5.541 -5.495 -2.794
118 2HB CYS 16 2HB CYS 16 6.047 -6.196 -1.260
119 H GLY 17 H GLY 17 1.861 -5.143 -1.980
120 1HA GLY 17 1HA GLY 17 0.801 -6.460 0.463
121 2HA GLY 17 2HA GLY 17 -0.155 -5.768 -0.842
122 H SER 18 H SER 18 -0.484 -8.336 0.119
123 HA SER 18 HA SER 18 0.564 -10.552 -0.696
124 1HB SER 18 1HB SER 18 -1.403 -11.512 -0.142
125 2HB SER 18 2HB SER 18 -1.807 -9.888 0.349
126 HG SER 18 HG SER 18 -2.859 -9.625 -1.886
127 H ASP 19 H ASP 19 -1.283 -8.783 -2.853
128 HA ASP 19 HA ASP 19 -1.463 -10.175 -5.192
129 1HB ASP 19 1HB ASP 19 -1.394 -7.256 -4.348
130 2HB ASP 19 2HB ASP 19 -2.107 -7.743 -5.869
131 H GLY 20 H GLY 20 1.501 -9.122 -3.880
132 1HA GLY 20 1HA GLY 20 3.622 -8.812 -4.831
133 2HA GLY 20 2HA GLY 20 2.943 -8.952 -6.454
134 H ASN 21 H ASN 21 0.889 -6.999 -5.069
135 HA ASN 21 HA ASN 21 1.379 -4.764 -6.636
136 1HB ASN 21 1HB ASN 21 -0.770 -5.753 -5.940
137 2HB ASN 21 2HB ASN 21 -0.436 -5.318 -4.251
138 1HD2 ASN 21 1HD2 ASN 21 -0.037 -3.100 -7.208
139 2HD2 ASN 21 2HD2 ASN 21 -1.489 -2.258 -6.717
140 H THR 22 H THR 22 3.419 -3.736 -6.092
141 HA THR 22 HA THR 22 4.019 -3.052 -3.463
142 HB THR 22 HB THR 22 5.122 -1.860 -5.997
143 HG1 THR 22 HG1 THR 22 5.836 -3.838 -6.011
144 1HG2 THR 22 1HG2 THR 22 7.050 -1.186 -4.655
145 2HG2 THR 22 2HG2 THR 22 5.609 -0.410 -3.967
146 3HG2 THR 22 3HG2 THR 22 6.319 -1.832 -3.188
147 H TYR 23 H TYR 23 3.762 -1.102 -2.295
148 HA TYR 23 HA TYR 23 1.945 1.013 -3.333
149 1HB TYR 23 1HB TYR 23 2.309 -0.138 -0.521
150 2HB TYR 23 2HB TYR 23 1.398 1.310 -0.881
151 HD1 TYR 23 HD1 TYR 23 -0.875 1.205 -1.666
152 HD2 TYR 23 HD2 TYR 23 1.496 -2.389 -1.413
153 HE1 TYR 23 HE1 TYR 23 -2.894 -0.149 -2.128
154 HE2 TYR 23 HE2 TYR 23 -0.512 -3.739 -1.916
155 HH TYR 23 HH TYR 23 -2.667 -3.146 -3.327
156 H SER 24 H SER 24 2.589 3.171 -2.615
157 HA SER 24 HA SER 24 5.267 3.792 -2.428
158 1HB SER 24 1HB SER 24 2.946 5.383 -1.286
159 2HB SER 24 2HB SER 24 4.511 6.020 -1.824
160 HG SER 24 HG SER 24 3.966 5.573 -3.916
161 H ASN 25 H ASN 25 3.049 2.898 0.270
162 HA ASN 25 HA ASN 25 5.234 2.451 2.029
163 1HB ASN 25 1HB ASN 25 4.513 4.094 3.804
164 2HB ASN 25 2HB ASN 25 5.219 4.835 2.409
165 1HD2 ASN 25 1HD2 ASN 25 4.132 6.581 1.655
166 2HD2 ASN 25 2HD2 ASN 25 2.537 7.073 2.239
167 HA PRO 26 HA PRO 26 2.188 -0.342 3.457
168 1HB PRO 26 1HB PRO 26 2.635 -0.761 6.112
169 2HB PRO 26 2HB PRO 26 3.767 -1.303 4.847
170 1HG PRO 26 1HG PRO 26 3.932 1.166 6.570
171 2HG PRO 26 2HG PRO 26 5.241 0.027 6.128
172 1HD PRO 26 1HD PRO 26 4.808 2.426 4.895
173 2HD PRO 26 2HD PRO 26 5.532 1.056 4.044
174 H CYS 27 H CYS 27 2.199 2.864 4.696
175 HA CYS 27 HA CYS 27 -0.101 2.605 6.431
176 1HB CYS 27 1HB CYS 27 1.876 4.424 6.384
177 2HB CYS 27 2HB CYS 27 0.799 5.221 5.256
178 H MET 28 H MET 28 0.535 3.752 3.036
179 HA MET 28 HA MET 28 -2.092 4.540 2.408
180 1HB MET 28 1HB MET 28 -0.219 5.064 1.011
181 2HB MET 28 2HB MET 28 0.242 3.396 0.791
182 1HG MET 28 1HG MET 28 -1.568 2.887 -0.556
183 2HG MET 28 2HG MET 28 -2.482 4.296 0.005
184 1HE MET 28 1HE MET 28 0.024 2.957 -2.688
185 2HE MET 28 2HE MET 28 0.818 4.453 -3.214
186 3HE MET 28 3HE MET 28 1.090 3.839 -1.560
187 H LEU 29 H LEU 29 -0.354 1.533 2.063
188 HA LEU 29 HA LEU 29 -2.369 -0.095 0.987
189 1HB LEU 29 1HB LEU 29 -0.329 -0.995 1.007
190 2HB LEU 29 2HB LEU 29 0.006 -0.686 2.734
191 HG LEU 29 HG LEU 29 -1.454 -2.855 1.493
192 1HD1 LEU 29 1HD1 LEU 29 1.252 -2.876 2.836
193 2HD1 LEU 29 2HD1 LEU 29 0.439 -4.245 2.029
194 3HD1 LEU 29 3HD1 LEU 29 0.967 -2.866 1.083
195 1HD2 LEU 29 1HD2 LEU 29 -2.400 -2.741 3.737
196 2HD2 LEU 29 2HD2 LEU 29 -1.169 -3.978 3.823
197 3HD2 LEU 29 3HD2 LEU 29 -0.797 -2.368 4.438
198 H THR 30 H THR 30 -1.403 -0.020 4.402
199 HA THR 30 HA THR 30 -3.713 -1.370 5.300
200 HB THR 30 HB THR 30 -1.505 -0.510 6.560
201 HG1 THR 30 HG1 THR 30 -2.384 -1.495 8.324
202 1HG2 THR 30 1HG2 THR 30 -2.045 0.961 8.367
203 2HG2 THR 30 2HG2 THR 30 -2.411 1.768 6.830
204 3HG2 THR 30 3HG2 THR 30 -3.735 1.102 7.810
205 H CYS 31 H CYS 31 -3.339 2.124 4.699
206 HA CYS 31 HA CYS 31 -5.729 3.039 5.697
207 1HB CYS 31 1HB CYS 31 -4.509 4.814 4.853
208 2HB CYS 31 2HB CYS 31 -3.853 3.884 3.554
209 H ALA 32 H ALA 32 -5.071 2.094 2.346
210 HA ALA 32 HA ALA 32 -7.582 1.804 1.218
211 1HB ALA 32 1HB ALA 32 -6.564 0.312 -0.314
212 2HB ALA 32 2HB ALA 32 -5.457 1.672 0.078
213 3HB ALA 32 3HB ALA 32 -5.181 0.052 0.773
214 H LYS 33 H LYS 33 -5.776 -0.614 2.988
215 HA LYS 33 HA LYS 33 -7.492 -2.834 2.821
216 1HB LYS 33 1HB LYS 33 -5.158 -2.774 3.788
217 2HB LYS 33 2HB LYS 33 -5.868 -2.123 5.273
218 1HG LYS 33 1HG LYS 33 -7.322 -4.048 5.488
219 2HG LYS 33 2HG LYS 33 -6.713 -4.713 3.958
220 1HD LYS 33 1HD LYS 33 -4.598 -5.148 4.745
221 2HD LYS 33 2HD LYS 33 -4.754 -4.178 6.138
222 1HE LYS 33 1HE LYS 33 -6.553 -6.546 5.519
223 2HE LYS 33 2HE LYS 33 -5.061 -6.731 6.434
224 1HZ LYS 33 1HZ LYS 33 -6.033 -5.249 8.127
225 2HZ LYS 33 2HZ LYS 33 -7.406 -5.105 7.224
226 3HZ LYS 33 3HZ LYS 33 -7.003 -6.560 7.863
227 H HIS 34 H HIS 34 -7.404 -0.445 5.457
228 HA HIS 34 HA HIS 34 -9.925 -1.258 6.615
229 1HB HIS 34 1HB HIS 34 -8.151 1.216 6.807
230 2HB HIS 34 2HB HIS 34 -9.632 1.026 7.703
231 HD1 HIS 34 HD1 HIS 34 -6.047 -0.200 7.521
232 HD2 HIS 34 HD2 HIS 34 -9.597 -1.088 9.617
233 HE1 HIS 34 HE1 HIS 34 -5.385 -1.703 9.502
234 H GLU 35 H GLU 35 -8.963 0.936 4.077
235 HA GLU 35 HA GLU 35 -11.455 2.476 4.187
236 1HB GLU 35 1HB GLU 35 -9.079 3.196 3.292
237 2HB GLU 35 2HB GLU 35 -9.687 2.538 1.773
238 1HG GLU 35 1HG GLU 35 -11.576 4.114 1.934
239 2HG GLU 35 2HG GLU 35 -10.938 4.777 3.402
240 H GLY 36 H GLY 36 -10.446 -0.333 2.335
241 1HA GLY 36 1HA GLY 36 -13.102 -1.178 1.683
242 2HA GLY 36 2HA GLY 36 -12.467 -0.219 0.346
243 H ASN 37 H ASN 37 -10.094 -2.165 2.142
244 HA ASN 37 HA ASN 37 -10.239 -4.300 0.069
245 1HB ASN 37 1HB ASN 37 -8.387 -2.314 -0.274
246 2HB ASN 37 2HB ASN 37 -7.532 -3.202 0.885
247 1HD2 ASN 37 1HD2 ASN 37 -6.519 -2.867 -1.645
248 2HD2 ASN 37 2HD2 ASN 37 -6.485 -4.453 -2.393
249 HA PRO 38 HA PRO 38 -9.651 -5.220 4.704
250 1HB PRO 38 1HB PRO 38 -11.628 -7.135 5.094
251 2HB PRO 38 2HB PRO 38 -11.841 -5.372 5.313
252 1HG PRO 38 1HG PRO 38 -12.527 -7.051 2.889
253 2HG PRO 38 2HG PRO 38 -13.529 -5.799 3.688
254 1HD PRO 38 1HD PRO 38 -12.091 -5.240 1.454
255 2HD PRO 38 2HD PRO 38 -12.215 -4.044 2.784
256 H ASP 39 H ASP 39 -10.068 -7.242 1.954
257 HA ASP 39 HA ASP 39 -8.872 -9.688 2.447
258 1HB ASP 39 1HB ASP 39 -9.101 -7.798 0.056
259 2HB ASP 39 2HB ASP 39 -8.609 -9.466 -0.078
260 H LEU 40 H LEU 40 -7.393 -6.550 1.819
261 HA LEU 40 HA LEU 40 -4.805 -7.532 0.803
262 1HB LEU 40 1HB LEU 40 -5.300 -5.389 0.005
263 2HB LEU 40 2HB LEU 40 -6.112 -4.924 1.489
264 HG LEU 40 HG LEU 40 -4.142 -4.520 2.628
265 1HD1 LEU 40 1HD1 LEU 40 -2.053 -4.854 1.963
266 2HD1 LEU 40 2HD1 LEU 40 -2.742 -5.926 0.729
267 3HD1 LEU 40 3HD1 LEU 40 -2.370 -4.276 0.280
268 1HD2 LEU 40 1HD2 LEU 40 -5.228 -2.654 1.417
269 2HD2 LEU 40 2HD2 LEU 40 -3.493 -2.406 1.534
270 3HD2 LEU 40 3HD2 LEU 40 -4.207 -2.955 0.014
271 H VAL 41 H VAL 41 -2.844 -7.337 1.959
272 HA VAL 41 HA VAL 41 -2.788 -6.944 4.803
273 HB VAL 41 HB VAL 41 -1.596 -9.100 5.095
274 1HG1 VAL 41 1HG1 VAL 41 -3.485 -10.520 5.294
275 2HG1 VAL 41 2HG1 VAL 41 -4.041 -8.853 5.617
276 3HG1 VAL 41 3HG1 VAL 41 -4.381 -9.639 4.048
277 1HG2 VAL 41 1HG2 VAL 41 -1.818 -10.936 3.514
278 2HG2 VAL 41 2HG2 VAL 41 -2.735 -9.917 2.390
279 3HG2 VAL 41 3HG2 VAL 41 -1.030 -9.567 2.741
280 H GLN 42 H GLN 42 -0.661 -6.328 5.412
281 HA GLN 42 HA GLN 42 1.278 -5.785 3.256
282 1HB GLN 42 1HB GLN 42 0.951 -4.094 5.045
283 2HB GLN 42 2HB GLN 42 1.418 -5.284 6.255
284 1HG GLN 42 1HG GLN 42 3.512 -5.363 4.343
285 2HG GLN 42 2HG GLN 42 3.098 -3.665 4.425
286 1HE2 GLN 42 1HE2 GLN 42 3.855 -6.528 6.450
287 2HE2 GLN 42 2HE2 GLN 42 4.671 -5.604 7.723
288 H VAL 43 H VAL 43 1.532 -7.914 2.587
289 HA VAL 43 HA VAL 43 1.977 -10.191 4.096
290 HB VAL 43 HB VAL 43 3.283 -10.946 1.975
291 1HG1 VAL 43 1HG1 VAL 43 0.462 -10.073 1.428
292 2HG1 VAL 43 2HG1 VAL 43 1.307 -11.559 0.943
293 3HG1 VAL 43 3HG1 VAL 43 0.800 -11.356 2.615
294 1HG2 VAL 43 1HG2 VAL 43 2.703 -9.667 -0.066
295 2HG2 VAL 43 2HG2 VAL 43 2.003 -8.377 0.919
296 3HG2 VAL 43 3HG2 VAL 43 3.740 -8.704 1.000
297 H HIS 44 H HIS 44 4.282 -7.742 2.908
298 HA HIS 44 HA HIS 44 5.712 -7.974 5.324
299 1HB HIS 44 1HB HIS 44 6.882 -9.749 3.863
300 2HB HIS 44 2HB HIS 44 7.403 -8.412 2.834
301 HD1 HIS 44 HD1 HIS 44 7.514 -8.869 6.728
302 HD2 HIS 44 HD2 HIS 44 9.925 -7.991 3.385
303 HE1 HIS 44 HE1 HIS 44 9.854 -8.334 7.621
304 H GLU 45 H GLU 45 7.334 -6.101 5.391
305 HA GLU 45 HA GLU 45 6.485 -3.887 3.651
306 1HB GLU 45 1HB GLU 45 7.549 -2.426 5.099
307 2HB GLU 45 2HB GLU 45 6.720 -3.578 6.093
308 1HG GLU 45 1HG GLU 45 8.598 -3.730 7.260
309 2HG GLU 45 2HG GLU 45 9.137 -4.821 6.002
310 H GLY 46 H GLY 46 9.087 -2.704 3.202
311 1HA GLY 46 1HA GLY 46 10.365 -2.665 1.321
312 2HA GLY 46 2HA GLY 46 10.669 -4.389 1.595
313 HA PRO 47 HA PRO 47 7.618 -3.590 -1.997
314 1HB PRO 47 1HB PRO 47 8.980 -2.834 -4.180
315 2HB PRO 47 2HB PRO 47 8.640 -1.682 -2.845
316 1HG PRO 47 1HG PRO 47 11.203 -3.261 -3.276
317 2HG PRO 47 2HG PRO 47 11.028 -1.488 -3.052
318 1HD PRO 47 1HD PRO 47 11.551 -3.172 -0.955
319 2HD PRO 47 2HD PRO 47 10.512 -1.729 -0.768
320 H CYS 48 H CYS 48 7.100 -5.025 -3.725
321 HA CYS 48 HA CYS 48 8.782 -7.484 -3.917
322 1HB CYS 48 1HB CYS 48 5.931 -6.889 -4.784
323 2HB CYS 48 2HB CYS 48 6.814 -8.297 -5.314
324 H ASP 49 H ASP 49 6.728 -5.644 -6.178
325 HA ASP 49 HA ASP 49 8.590 -5.131 -8.179
326 1HB ASP 49 1HB ASP 49 7.967 -6.883 -9.699
327 2HB ASP 49 2HB ASP 49 8.384 -7.689 -8.191
328 H GLU 50 H GLU 50 6.822 -5.072 -10.271
329 HA GLU 50 HA GLU 50 4.393 -5.103 -10.425
330 1HB GLU 50 1HB GLU 50 3.748 -3.815 -8.516
331 2HB GLU 50 2HB GLU 50 4.647 -2.385 -9.072
332 1HG GLU 50 1HG GLU 50 3.018 -2.054 -10.850
333 2HG GLU 50 2HG GLU 50 2.275 -3.630 -10.521
334 H HIS 51 H HIS 51 6.769 -2.553 -11.059
335 HA HIS 51 HA HIS 51 5.931 -2.642 -13.915
336 1HB HIS 51 1HB HIS 51 5.161 -0.548 -12.735
337 2HB HIS 51 2HB HIS 51 6.853 -0.118 -12.506
338 HD1 HIS 51 HD1 HIS 51 7.894 -0.865 -15.609
339 HD2 HIS 51 HD2 HIS 51 4.416 1.258 -14.414
340 HE1 HIS 51 HE1 HIS 51 7.168 0.505 -17.565
341 H ASP 52 H ASP 52 7.481 -3.709 -14.859
342 HA ASP 52 HA ASP 52 10.170 -3.954 -14.183
343 1HB ASP 52 1HB ASP 52 10.442 -4.643 -16.564
344 2HB ASP 52 2HB ASP 52 9.137 -5.478 -15.719
345 H HIS 53 H HIS 53 11.865 -2.612 -14.385
346 HA HIS 53 HA HIS 53 11.591 -0.021 -15.801
347 1HB HIS 53 1HB HIS 53 13.153 0.863 -14.183
348 2HB HIS 53 2HB HIS 53 11.763 0.152 -13.374
349 HD1 HIS 53 HD1 HIS 53 15.276 -1.049 -14.373
350 HD2 HIS 53 HD2 HIS 53 12.393 -1.368 -11.334
351 HE1 HIS 53 HE1 HIS 53 16.314 -2.554 -12.505
352 H ASP 54 H ASP 54 12.260 -2.460 -17.214
353 HA ASP 54 HA ASP 54 15.120 -2.782 -17.390
354 1HB ASP 54 1HB ASP 54 13.241 -4.504 -17.790
355 2HB ASP 54 2HB ASP 54 13.057 -3.782 -19.386
356 H PHE 55 H PHE 55 16.264 -2.638 -19.582
357 HA PHE 55 HA PHE 55 15.494 -0.405 -21.309
358 1HB PHE 55 2HB PHE 55 16.415 0.756 -19.303
359 2HB PHE 55 1HB PHE 55 17.915 -0.144 -19.471
360 HD1 PHE 55 HD1 PHE 55 19.482 0.351 -21.345
361 HD2 PHE 55 HD2 PHE 55 15.877 2.632 -20.763
362 HE1 PHE 55 HE1 PHE 55 20.374 2.139 -22.825
363 HE2 PHE 55 HE2 PHE 55 16.761 4.413 -22.253
364 HZ PHE 55 HZ PHE 55 19.006 4.165 -23.296
Start of MODEL 16
1 1H PHE 1 1H PHE 1 -16.244 4.764 4.173
2 2H PHE 1 2H PHE 1 -15.834 6.355 3.962
3 3H PHE 1 3H PHE 1 -16.065 5.375 2.655
4 HA PHE 1 HA PHE 1 -13.820 5.121 4.585
5 1HB PHE 1 2HB PHE 1 -13.567 3.525 2.215
6 2HB PHE 1 1HB PHE 1 -13.408 3.170 3.918
7 HD1 PHE 1 HD1 PHE 1 -15.282 2.204 5.232
8 HD2 PHE 1 HD2 PHE 1 -15.656 3.019 1.006
9 HE1 PHE 1 HE1 PHE 1 -17.383 0.887 5.155
10 HE2 PHE 1 HE2 PHE 1 -17.750 1.692 0.941
11 HZ PHE 1 HZ PHE 1 -18.619 0.633 3.014
12 H GLN 2 H GLN 2 -13.337 7.199 4.489
13 HA GLN 2 HA GLN 2 -11.132 7.268 2.936
14 1HB GLN 2 1HB GLN 2 -12.933 8.443 1.348
15 2HB GLN 2 2HB GLN 2 -12.778 9.765 2.507
16 1HG GLN 2 1HG GLN 2 -10.139 9.331 1.992
17 2HG GLN 2 2HG GLN 2 -10.803 8.652 0.518
18 1HE2 GLN 2 1HE2 GLN 2 -12.273 10.164 -0.809
19 2HE2 GLN 2 2HE2 GLN 2 -11.966 11.890 -0.649
20 H GLY 3 H GLY 3 -9.856 8.993 3.854
21 1HA GLY 3 1HA GLY 3 -9.247 10.815 5.218
22 2HA GLY 3 2HA GLY 3 -10.970 11.059 5.508
23 H ASN 4 H ASN 4 -10.008 7.997 6.444
24 HA ASN 4 HA ASN 4 -9.112 8.731 9.112
25 1HB ASN 4 1HB ASN 4 -11.733 8.030 8.922
26 2HB ASN 4 2HB ASN 4 -11.034 6.438 9.196
27 1HD2 ASN 4 1HD2 ASN 4 -8.737 7.314 10.850
28 2HD2 ASN 4 2HD2 ASN 4 -9.440 7.931 12.337
29 HA PRO 5 HA PRO 5 -7.444 4.342 7.747
30 1HB PRO 5 1HB PRO 5 -7.621 4.216 4.934
31 2HB PRO 5 2HB PRO 5 -8.464 3.181 6.122
32 1HG PRO 5 1HG PRO 5 -9.399 5.541 4.636
33 2HG PRO 5 2HG PRO 5 -10.280 4.053 5.171
34 1HD PRO 5 1HD PRO 5 -10.637 6.397 6.447
35 2HD PRO 5 2HD PRO 5 -10.550 4.868 7.349
36 H CYS 6 H CYS 6 -7.425 7.039 5.320
37 HA CYS 6 HA CYS 6 -4.467 7.000 5.297
38 1HB CYS 6 1HB CYS 6 -6.596 8.122 3.500
39 2HB CYS 6 2HB CYS 6 -5.017 8.888 3.536
40 H GLU 7 H GLU 7 -3.629 8.041 7.000
41 HA GLU 7 HA GLU 7 -4.145 10.947 7.199
42 1HB GLU 7 1HB GLU 7 -5.438 9.605 8.951
43 2HB GLU 7 2HB GLU 7 -3.881 9.144 9.642
44 1HG GLU 7 1HG GLU 7 -3.361 11.606 9.932
45 2HG GLU 7 2HG GLU 7 -4.952 11.987 9.272
46 H CYS 8 H CYS 8 -2.146 10.172 5.629
47 HA CYS 8 HA CYS 8 0.330 9.968 7.247
48 1HB CYS 8 1HB CYS 8 -1.026 7.888 5.605
49 2HB CYS 8 2HB CYS 8 0.699 8.034 5.325
50 HA PRO 9 HA PRO 9 2.185 12.291 4.074
51 1HB PRO 9 1HB PRO 9 4.822 11.707 4.270
52 2HB PRO 9 2HB PRO 9 3.917 12.356 5.673
53 1HG PRO 9 1HG PRO 9 4.573 9.450 5.066
54 2HG PRO 9 2HG PRO 9 4.831 10.344 6.600
55 1HD PRO 9 1HD PRO 9 2.624 8.782 6.090
56 2HD PRO 9 2HD PRO 9 2.568 10.203 7.158
57 H ARG 10 H ARG 10 3.489 12.300 2.085
58 HA ARG 10 HA ARG 10 3.228 9.863 0.422
59 1HB ARG 10 1HB ARG 10 3.949 12.767 -0.172
60 2HB ARG 10 2HB ARG 10 4.218 11.478 -1.337
61 1HG ARG 10 1HG ARG 10 2.188 12.525 -1.903
62 2HG ARG 10 2HG ARG 10 1.846 10.884 -1.352
63 1HD ARG 10 1HD ARG 10 1.002 11.727 0.781
64 2HD ARG 10 2HD ARG 10 1.508 13.383 0.361
65 HE ARG 10 HE ARG 10 -0.169 12.449 -1.682
66 1HH1 ARG 10 2HH2 ARG 10 -0.503 13.182 1.765
67 2HH1 ARG 10 1HH2 ARG 10 -2.126 13.758 1.650
68 1HH2 ARG 10 2HH1 ARG 10 -2.359 13.148 -1.852
69 2HH2 ARG 10 1HH1 ARG 10 -3.212 13.698 -0.459
70 H ALA 11 H ALA 11 4.889 9.373 2.575
71 HA ALA 11 HA ALA 11 7.587 9.635 1.884
72 1HB ALA 11 1HB ALA 11 7.901 7.846 3.610
73 2HB ALA 11 2HB ALA 11 6.930 9.204 4.210
74 3HB ALA 11 3HB ALA 11 6.136 7.683 3.722
75 H LEU 12 H LEU 12 8.593 8.564 0.236
76 HA LEU 12 HA LEU 12 7.312 6.502 -1.305
77 1HB LEU 12 1HB LEU 12 9.881 8.118 -1.281
78 2HB LEU 12 2HB LEU 12 9.809 6.729 -2.316
79 HG LEU 12 HG LEU 12 9.300 8.896 -3.359
80 1HD1 LEU 12 1HD1 LEU 12 8.731 6.735 -4.422
81 2HD1 LEU 12 2HD1 LEU 12 7.145 6.741 -3.618
82 3HD1 LEU 12 3HD1 LEU 12 7.539 7.972 -4.840
83 1HD2 LEU 12 1HD2 LEU 12 7.863 9.958 -1.742
84 2HD2 LEU 12 2HD2 LEU 12 7.072 9.850 -3.316
85 3HD2 LEU 12 3HD2 LEU 12 6.590 8.740 -2.018
86 H HIS 13 H HIS 13 7.464 5.440 1.220
87 HA HIS 13 HA HIS 13 9.722 3.483 1.265
88 1HB HIS 13 1HB HIS 13 7.635 4.355 3.219
89 2HB HIS 13 2HB HIS 13 7.905 2.621 3.164
90 HD1 HIS 13 HD1 HIS 13 9.849 1.656 4.470
91 HD2 HIS 13 HD2 HIS 13 10.113 5.811 3.661
92 HE1 HIS 13 HE1 HIS 13 11.916 2.546 5.710
93 H ARG 14 H ARG 14 9.076 2.828 -1.034
94 HA ARG 14 HA ARG 14 6.514 1.713 -1.512
95 1HB ARG 14 1HB ARG 14 9.202 0.977 -2.725
96 2HB ARG 14 2HB ARG 14 7.625 0.379 -3.292
97 1HG ARG 14 1HG ARG 14 6.870 2.513 -3.948
98 2HG ARG 14 2HG ARG 14 8.231 3.337 -3.175
99 1HD ARG 14 1HD ARG 14 8.411 3.030 -5.699
100 2HD ARG 14 2HD ARG 14 9.791 2.559 -4.694
101 HE ARG 14 HE ARG 14 8.143 0.267 -5.142
102 1HH1 ARG 14 2HH2 ARG 14 10.621 2.400 -6.473
103 2HH1 ARG 14 1HH2 ARG 14 11.324 1.273 -7.575
104 1HH2 ARG 14 2HH1 ARG 14 8.907 -1.283 -7.164
105 2HH2 ARG 14 1HH1 ARG 14 10.201 -0.566 -8.096
106 H VAL 15 H VAL 15 5.598 -0.324 -1.281
107 HA VAL 15 HA VAL 15 7.122 -2.507 0.026
108 HB VAL 15 HB VAL 15 5.345 -2.688 1.746
109 1HG1 VAL 15 1HG1 VAL 15 6.551 0.055 1.849
110 2HG1 VAL 15 2HG1 VAL 15 6.140 -1.013 3.179
111 3HG1 VAL 15 3HG1 VAL 15 7.501 -1.404 2.084
112 1HG2 VAL 15 1HG2 VAL 15 3.844 -0.841 2.189
113 2HG2 VAL 15 2HG2 VAL 15 4.402 0.040 0.753
114 3HG2 VAL 15 3HG2 VAL 15 3.506 -1.500 0.600
115 H CYS 16 H CYS 16 5.739 -4.528 0.176
116 HA CYS 16 HA CYS 16 3.871 -4.651 -2.150
117 1HB CYS 16 1HB CYS 16 5.921 -5.867 -2.279
118 2HB CYS 16 2HB CYS 16 5.661 -6.652 -0.767
119 H GLY 17 H GLY 17 1.780 -5.225 -1.879
120 1HA GLY 17 1HA GLY 17 0.879 -6.436 0.683
121 2HA GLY 17 2HA GLY 17 -0.162 -5.751 -0.554
122 H SER 18 H SER 18 -0.370 -8.333 0.431
123 HA SER 18 HA SER 18 0.820 -10.418 -0.396
124 1HB SER 18 1HB SER 18 -1.135 -11.722 0.056
125 2HB SER 18 2HB SER 18 -1.168 -10.298 1.040
126 HG SER 18 HG SER 18 -3.205 -10.719 -0.029
127 H ASP 19 H ASP 19 -1.418 -9.035 -2.785
128 HA ASP 19 HA ASP 19 -1.149 -11.215 -4.634
129 1HB ASP 19 1HB ASP 19 -2.966 -9.387 -4.510
130 2HB ASP 19 2HB ASP 19 -1.816 -8.353 -5.335
131 H GLY 20 H GLY 20 1.355 -9.308 -3.645
132 1HA GLY 20 1HA GLY 20 3.450 -8.878 -4.723
133 2HA GLY 20 2HA GLY 20 2.721 -9.176 -6.295
134 H ASN 21 H ASN 21 0.663 -7.371 -4.374
135 HA ASN 21 HA ASN 21 0.518 -5.265 -6.191
136 1HB ASN 21 1HB ASN 21 -1.225 -6.543 -4.658
137 2HB ASN 21 2HB ASN 21 -0.845 -5.347 -3.475
138 1HD2 ASN 21 1HD2 ASN 21 -1.757 -5.669 -6.975
139 2HD2 ASN 21 2HD2 ASN 21 -2.924 -4.367 -6.907
140 H THR 22 H THR 22 2.630 -4.085 -6.026
141 HA THR 22 HA THR 22 3.514 -3.176 -3.561
142 HB THR 22 HB THR 22 4.136 -1.937 -6.248
143 HG1 THR 22 HG1 THR 22 5.845 -3.351 -6.193
144 1HG2 THR 22 1HG2 THR 22 4.934 -0.523 -4.289
145 2HG2 THR 22 2HG2 THR 22 5.815 -1.942 -3.692
146 3HG2 THR 22 3HG2 THR 22 6.255 -1.221 -5.239
147 H TYR 23 H TYR 23 3.355 -1.201 -2.410
148 HA TYR 23 HA TYR 23 1.400 0.842 -3.293
149 1HB TYR 23 1HB TYR 23 1.844 -0.379 -0.531
150 2HB TYR 23 2HB TYR 23 1.058 1.159 -0.777
151 HD1 TYR 23 HD1 TYR 23 -1.263 1.296 -1.539
152 HD2 TYR 23 HD2 TYR 23 0.807 -2.485 -1.386
153 HE1 TYR 23 HE1 TYR 23 -3.378 0.117 -2.093
154 HE2 TYR 23 HE2 TYR 23 -1.279 -3.657 -1.967
155 HH TYR 23 HH TYR 23 -3.257 -3.046 -3.340
156 H SER 24 H SER 24 2.038 3.007 -2.600
157 HA SER 24 HA SER 24 4.756 3.566 -2.713
158 1HB SER 24 1HB SER 24 3.769 5.908 -2.069
159 2HB SER 24 2HB SER 24 3.353 5.159 -3.620
160 HG SER 24 HG SER 24 1.530 5.975 -2.468
161 H ASN 25 H ASN 25 2.736 2.854 0.069
162 HA ASN 25 HA ASN 25 4.874 2.649 1.766
163 1HB ASN 25 1HB ASN 25 4.226 4.296 3.556
164 2HB ASN 25 2HB ASN 25 5.069 4.925 2.176
165 1HD2 ASN 25 1HD2 ASN 25 4.291 6.809 1.494
166 2HD2 ASN 25 2HD2 ASN 25 2.744 7.503 2.021
167 HA PRO 26 HA PRO 26 2.080 -0.118 3.448
168 1HB PRO 26 1HB PRO 26 2.881 -0.472 6.050
169 2HB PRO 26 2HB PRO 26 3.804 -1.037 4.621
170 1HG PRO 26 1HG PRO 26 4.255 1.465 6.237
171 2HG PRO 26 2HG PRO 26 5.463 0.264 5.659
172 1HD PRO 26 1HD PRO 26 4.983 2.594 4.371
173 2HD PRO 26 2HD PRO 26 5.388 1.117 3.478
174 H CYS 27 H CYS 27 2.248 3.070 4.806
175 HA CYS 27 HA CYS 27 -0.163 2.909 6.365
176 1HB CYS 27 1HB CYS 27 1.680 4.767 6.366
177 2HB CYS 27 2HB CYS 27 0.775 5.433 5.011
178 H MET 28 H MET 28 0.539 4.001 2.965
179 HA MET 28 HA MET 28 -2.159 4.378 2.201
180 1HB MET 28 1HB MET 28 0.270 3.589 0.551
181 2HB MET 28 2HB MET 28 -1.304 3.796 -0.140
182 1HG MET 28 1HG MET 28 -0.206 5.977 1.644
183 2HG MET 28 2HG MET 28 0.464 5.787 0.031
184 1HE MET 28 1HE MET 28 -2.262 4.884 -1.661
185 2HE MET 28 2HE MET 28 -2.471 6.506 -2.343
186 3HE MET 28 3HE MET 28 -0.833 5.832 -2.123
187 H LEU 29 H LEU 29 -0.255 1.351 2.211
188 HA LEU 29 HA LEU 29 -2.258 -0.403 1.190
189 1HB LEU 29 1HB LEU 29 -0.090 -1.114 1.388
190 2HB LEU 29 2HB LEU 29 -0.001 -0.812 3.147
191 HG LEU 29 HG LEU 29 -1.322 -2.991 1.765
192 1HD1 LEU 29 1HD1 LEU 29 0.537 -4.397 2.577
193 2HD1 LEU 29 2HD1 LEU 29 1.077 -3.112 1.498
194 3HD1 LEU 29 3HD1 LEU 29 1.296 -2.938 3.251
195 1HD2 LEU 29 1HD2 LEU 29 -2.434 -2.822 3.935
196 2HD2 LEU 29 2HD2 LEU 29 -1.251 -4.109 4.101
197 3HD2 LEU 29 3HD2 LEU 29 -0.872 -2.513 4.752
198 H THR 30 H THR 30 -1.398 0.000 4.653
199 HA THR 30 HA THR 30 -3.731 -1.354 5.481
200 HB THR 30 HB THR 30 -1.699 -0.631 6.891
201 HG1 THR 30 HG1 THR 30 -4.354 -0.678 7.856
202 1HG2 THR 30 1HG2 THR 30 -2.015 1.229 8.361
203 2HG2 THR 30 2HG2 THR 30 -2.118 1.791 6.678
204 3HG2 THR 30 3HG2 THR 30 -3.596 1.613 7.639
205 H CYS 31 H CYS 31 -3.371 2.080 4.700
206 HA CYS 31 HA CYS 31 -5.749 3.023 5.670
207 1HB CYS 31 1HB CYS 31 -4.333 4.706 4.820
208 2HB CYS 31 2HB CYS 31 -3.930 3.781 3.391
209 H ALA 32 H ALA 32 -5.049 2.144 2.276
210 HA ALA 32 HA ALA 32 -7.510 1.776 1.132
211 1HB ALA 32 1HB ALA 32 -5.382 1.574 0.014
212 2HB ALA 32 2HB ALA 32 -5.067 0.034 0.855
213 3HB ALA 32 3HB ALA 32 -6.435 0.146 -0.279
214 H LYS 33 H LYS 33 -5.746 -0.579 3.059
215 HA LYS 33 HA LYS 33 -7.495 -2.789 2.860
216 1HB LYS 33 1HB LYS 33 -5.170 -2.755 3.872
217 2HB LYS 33 2HB LYS 33 -5.902 -2.107 5.344
218 1HG LYS 33 1HG LYS 33 -7.378 -4.035 5.515
219 2HG LYS 33 2HG LYS 33 -6.735 -4.687 3.995
220 1HD LYS 33 1HD LYS 33 -4.639 -5.136 4.834
221 2HD LYS 33 2HD LYS 33 -4.842 -4.148 6.219
222 1HE LYS 33 1HE LYS 33 -6.608 -6.540 5.602
223 2HE LYS 33 2HE LYS 33 -5.111 -6.710 6.519
224 1HZ LYS 33 1HZ LYS 33 -7.064 -6.542 7.940
225 2HZ LYS 33 2HZ LYS 33 -6.075 -5.247 8.207
226 3HZ LYS 33 3HZ LYS 33 -7.449 -5.078 7.307
227 H HIS 34 H HIS 34 -7.399 -0.428 5.557
228 HA HIS 34 HA HIS 34 -9.974 -1.244 6.597
229 1HB HIS 34 1HB HIS 34 -7.915 0.858 7.194
230 2HB HIS 34 2HB HIS 34 -9.563 1.272 7.601
231 HD1 HIS 34 HD1 HIS 34 -6.794 -0.106 9.350
232 HD2 HIS 34 HD2 HIS 34 -10.873 -1.068 8.949
233 HE1 HIS 34 HE1 HIS 34 -7.418 -1.547 11.377
234 H GLU 35 H GLU 35 -9.011 0.904 3.993
235 HA GLU 35 HA GLU 35 -11.464 2.445 4.125
236 1HB GLU 35 1HB GLU 35 -9.074 2.823 2.841
237 2HB GLU 35 2HB GLU 35 -10.107 2.297 1.507
238 1HG GLU 35 1HG GLU 35 -11.500 4.128 1.720
239 2HG GLU 35 2HG GLU 35 -10.921 4.590 3.273
240 H GLY 36 H GLY 36 -10.361 -0.076 1.771
241 1HA GLY 36 1HA GLY 36 -13.063 -1.243 1.684
242 2HA GLY 36 2HA GLY 36 -12.579 -0.354 0.236
243 H ASN 37 H ASN 37 -10.120 -2.166 2.117
244 HA ASN 37 HA ASN 37 -10.203 -4.314 0.025
245 1HB ASN 37 1HB ASN 37 -8.356 -2.349 -0.263
246 2HB ASN 37 2HB ASN 37 -7.531 -3.231 0.928
247 1HD2 ASN 37 1HD2 ASN 37 -6.485 -2.946 -1.650
248 2HD2 ASN 37 2HD2 ASN 37 -6.457 -4.566 -2.312
249 HA PRO 38 HA PRO 38 -9.912 -5.650 4.516
250 1HB PRO 38 1HB PRO 38 -11.881 -7.594 4.520
251 2HB PRO 38 2HB PRO 38 -12.175 -5.861 4.855
252 1HG PRO 38 1HG PRO 38 -12.506 -7.328 2.220
253 2HG PRO 38 2HG PRO 38 -13.668 -6.222 3.022
254 1HD PRO 38 1HD PRO 38 -12.034 -5.339 1.049
255 2HD PRO 38 2HD PRO 38 -12.354 -4.316 2.484
256 H ASP 39 H ASP 39 -9.832 -7.223 1.446
257 HA ASP 39 HA ASP 39 -8.621 -9.738 2.189
258 1HB ASP 39 1HB ASP 39 -9.806 -8.407 -0.118
259 2HB ASP 39 2HB ASP 39 -8.223 -8.985 -0.572
260 H LEU 40 H LEU 40 -7.348 -6.494 1.804
261 HA LEU 40 HA LEU 40 -4.700 -7.301 0.800
262 1HB LEU 40 1HB LEU 40 -5.358 -5.131 0.113
263 2HB LEU 40 2HB LEU 40 -6.110 -4.775 1.673
264 HG LEU 40 HG LEU 40 -4.127 -4.448 2.735
265 1HD1 LEU 40 1HD1 LEU 40 -2.811 -5.896 0.804
266 2HD1 LEU 40 2HD1 LEU 40 -2.310 -4.255 0.434
267 3HD1 LEU 40 3HD1 LEU 40 -2.074 -4.934 2.090
268 1HD2 LEU 40 1HD2 LEU 40 -3.346 -2.355 1.573
269 2HD2 LEU 40 2HD2 LEU 40 -4.194 -2.869 0.116
270 3HD2 LEU 40 3HD2 LEU 40 -5.106 -2.496 1.570
271 H VAL 41 H VAL 41 -2.877 -7.259 2.200
272 HA VAL 41 HA VAL 41 -3.301 -7.090 5.071
273 HB VAL 41 HB VAL 41 -2.181 -9.282 5.368
274 1HG1 VAL 41 1HG1 VAL 41 -4.085 -10.687 5.067
275 2HG1 VAL 41 2HG1 VAL 41 -4.680 -9.066 5.487
276 3HG1 VAL 41 3HG1 VAL 41 -4.753 -9.649 3.803
277 1HG2 VAL 41 1HG2 VAL 41 -2.768 -9.745 2.421
278 2HG2 VAL 41 2HG2 VAL 41 -1.146 -9.525 3.139
279 3HG2 VAL 41 3HG2 VAL 41 -2.118 -10.932 3.565
280 H GLN 42 H GLN 42 -1.311 -6.754 6.162
281 HA GLN 42 HA GLN 42 0.964 -5.839 4.569
282 1HB GLN 42 1HB GLN 42 0.149 -4.818 6.784
283 2HB GLN 42 2HB GLN 42 0.750 -6.261 7.582
284 1HG GLN 42 1HG GLN 42 2.533 -4.761 7.794
285 2HG GLN 42 2HG GLN 42 3.031 -5.716 6.398
286 1HE2 GLN 42 1HE2 GLN 42 3.815 -4.389 4.641
287 2HE2 GLN 42 2HE2 GLN 42 3.281 -2.736 4.463
288 H VAL 43 H VAL 43 1.255 -7.862 3.381
289 HA VAL 43 HA VAL 43 1.971 -10.314 4.485
290 HB VAL 43 HB VAL 43 3.639 -10.403 2.449
291 1HG1 VAL 43 1HG1 VAL 43 1.488 -11.626 2.789
292 2HG1 VAL 43 2HG1 VAL 43 0.668 -10.254 1.999
293 3HG1 VAL 43 3HG1 VAL 43 1.903 -11.239 1.126
294 1HG2 VAL 43 1HG2 VAL 43 2.814 -9.024 0.550
295 2HG2 VAL 43 2HG2 VAL 43 1.736 -8.146 1.642
296 3HG2 VAL 43 3HG2 VAL 43 3.497 -8.011 1.818
297 H HIS 44 H HIS 44 3.975 -7.469 3.637
298 HA HIS 44 HA HIS 44 5.567 -7.527 5.921
299 1HB HIS 44 1HB HIS 44 7.694 -8.083 5.042
300 2HB HIS 44 2HB HIS 44 6.663 -9.438 4.815
301 HD1 HIS 44 HD1 HIS 44 6.448 -6.856 1.940
302 HD2 HIS 44 HD2 HIS 44 8.838 -10.092 3.189
303 HE1 HIS 44 HE1 HIS 44 7.642 -7.684 -0.091
304 H GLU 45 H GLU 45 7.633 -5.932 5.043
305 HA GLU 45 HA GLU 45 6.396 -3.489 4.011
306 1HB GLU 45 1HB GLU 45 8.228 -3.950 5.919
307 2HB GLU 45 2HB GLU 45 9.363 -3.818 4.619
308 1HG GLU 45 1HG GLU 45 7.223 -1.676 5.000
309 2HG GLU 45 2HG GLU 45 8.483 -1.792 6.184
310 H GLY 46 H GLY 46 9.163 -3.053 2.516
311 1HA GLY 46 1HA GLY 46 10.313 -3.545 0.681
312 2HA GLY 46 2HA GLY 46 9.945 -5.214 1.039
313 HA PRO 47 HA PRO 47 7.255 -3.554 -2.613
314 1HB PRO 47 1HB PRO 47 8.715 -2.616 -4.696
315 2HB PRO 47 2HB PRO 47 8.277 -1.620 -3.277
316 1HG PRO 47 1HG PRO 47 10.902 -3.041 -3.782
317 2HG PRO 47 2HG PRO 47 10.646 -1.338 -3.280
318 1HD PRO 47 1HD PRO 47 11.171 -3.388 -1.508
319 2HD PRO 47 2HD PRO 47 10.186 -1.970 -1.071
320 H CYS 48 H CYS 48 6.515 -5.089 -3.989
321 HA CYS 48 HA CYS 48 8.290 -7.334 -4.779
322 1HB CYS 48 1HB CYS 48 5.302 -6.889 -5.075
323 2HB CYS 48 2HB CYS 48 6.171 -8.242 -5.785
324 H ASP 49 H ASP 49 5.851 -5.308 -6.551
325 HA ASP 49 HA ASP 49 7.036 -5.657 -9.044
326 1HB ASP 49 1HB ASP 49 4.716 -4.947 -8.747
327 2HB ASP 49 2HB ASP 49 5.254 -3.402 -8.077
328 H GLU 50 H GLU 50 8.617 -4.629 -10.161
329 HA GLU 50 HA GLU 50 9.732 -2.101 -9.448
330 1HB GLU 50 1HB GLU 50 11.993 -2.822 -9.061
331 2HB GLU 50 2HB GLU 50 10.978 -3.624 -7.868
332 1HG GLU 50 1HG GLU 50 11.049 -5.720 -9.199
333 2HG GLU 50 2HG GLU 50 12.017 -4.924 -10.437
334 H HIS 51 H HIS 51 11.282 -1.497 -11.049
335 HA HIS 51 HA HIS 51 11.784 -3.039 -13.436
336 1HB HIS 51 1HB HIS 51 9.300 -2.125 -13.652
337 2HB HIS 51 2HB HIS 51 10.075 -0.585 -13.988
338 HD1 HIS 51 HD1 HIS 51 8.981 -3.696 -15.621
339 HD2 HIS 51 HD2 HIS 51 11.923 -0.750 -16.240
340 HE1 HIS 51 HE1 HIS 51 9.702 -3.872 -18.083
341 H ASP 52 H ASP 52 11.632 -0.031 -11.690
342 HA ASP 52 HA ASP 52 13.621 1.584 -12.749
343 1HB ASP 52 1HB ASP 52 13.519 2.445 -10.394
344 2HB ASP 52 2HB ASP 52 11.945 2.318 -11.177
345 H HIS 53 H HIS 53 15.792 1.798 -12.135
346 HA HIS 53 HA HIS 53 17.135 0.049 -10.272
347 1HB HIS 53 1HB HIS 53 17.033 -0.689 -13.110
348 2HB HIS 53 2HB HIS 53 18.687 -0.379 -12.631
349 HD1 HIS 53 HD1 HIS 53 15.817 -2.189 -10.770
350 HD2 HIS 53 HD2 HIS 53 19.848 -2.581 -11.935
351 HE1 HIS 53 HE1 HIS 53 16.634 -4.452 -9.848
352 H ASP 54 H ASP 54 16.713 2.691 -10.075
353 HA ASP 54 HA ASP 54 18.996 4.243 -11.062
354 1HB ASP 54 1HB ASP 54 16.642 5.136 -10.511
355 2HB ASP 54 2HB ASP 54 17.073 4.941 -8.807
356 H PHE 55 H PHE 55 20.428 5.368 -9.235
357 HA PHE 55 HA PHE 55 21.046 3.582 -7.001
358 1HB PHE 55 2HB PHE 55 23.261 3.010 -7.708
359 2HB PHE 55 1HB PHE 55 22.128 2.436 -8.914
360 HD1 PHE 55 HD1 PHE 55 22.085 3.434 -11.184
361 HD2 PHE 55 HD2 PHE 55 24.808 4.865 -8.171
362 HE1 PHE 55 HE1 PHE 55 23.430 4.569 -12.939
363 HE2 PHE 55 HE2 PHE 55 26.162 5.991 -9.925
364 HZ PHE 55 HZ PHE 55 25.475 5.844 -12.314
Start of MODEL 17
1 1H PHE 1 1H PHE 1 -14.980 6.313 5.618
2 2H PHE 1 2H PHE 1 -15.891 5.163 4.869
3 3H PHE 1 3H PHE 1 -15.056 4.780 6.239
4 HA PHE 1 HA PHE 1 -12.939 5.060 5.084
5 1HB PHE 1 2HB PHE 1 -13.295 3.328 3.337
6 2HB PHE 1 1HB PHE 1 -13.524 2.915 5.028
7 HD1 PHE 1 HD1 PHE 1 -15.089 3.164 1.716
8 HD2 PHE 1 HD2 PHE 1 -15.844 2.379 5.896
9 HE1 PHE 1 HE1 PHE 1 -17.325 2.277 1.150
10 HE2 PHE 1 HE2 PHE 1 -18.086 1.502 5.320
11 HZ PHE 1 HZ PHE 1 -18.836 1.449 2.950
12 H GLN 2 H GLN 2 -12.789 7.220 4.532
13 HA GLN 2 HA GLN 2 -11.464 6.764 2.278
14 1HB GLN 2 1HB GLN 2 -13.992 7.950 1.598
15 2HB GLN 2 2HB GLN 2 -12.795 9.236 1.508
16 1HG GLN 2 1HG GLN 2 -12.791 6.570 0.045
17 2HG GLN 2 2HG GLN 2 -13.005 8.169 -0.666
18 1HE2 GLN 2 1HE2 GLN 2 -10.798 5.742 -0.548
19 2HE2 GLN 2 2HE2 GLN 2 -9.323 6.718 -0.672
20 H GLY 3 H GLY 3 -10.034 8.671 1.970
21 1HA GLY 3 1HA GLY 3 -8.704 10.409 2.652
22 2HA GLY 3 2HA GLY 3 -10.042 10.953 3.674
23 H ASN 4 H ASN 4 -10.345 9.386 5.640
24 HA ASN 4 HA ASN 4 -8.152 9.962 7.286
25 1HB ASN 4 1HB ASN 4 -10.784 9.452 7.823
26 2HB ASN 4 2HB ASN 4 -10.065 7.959 8.414
27 1HD2 ASN 4 1HD2 ASN 4 -7.518 8.903 9.317
28 2HD2 ASN 4 2HD2 ASN 4 -7.652 10.190 10.471
29 HA PRO 5 HA PRO 5 -6.973 5.174 7.373
30 1HB PRO 5 1HB PRO 5 -7.268 4.172 4.792
31 2HB PRO 5 2HB PRO 5 -8.252 3.742 6.215
32 1HG PRO 5 1HG PRO 5 -8.762 5.682 3.963
33 2HG PRO 5 2HG PRO 5 -9.896 4.521 4.725
34 1HD PRO 5 1HD PRO 5 -9.983 7.099 5.433
35 2HD PRO 5 2HD PRO 5 -10.080 5.859 6.701
36 H CYS 6 H CYS 6 -6.654 7.698 4.875
37 HA CYS 6 HA CYS 6 -3.789 7.027 4.518
38 1HB CYS 6 1HB CYS 6 -5.877 8.383 2.801
39 2HB CYS 6 2HB CYS 6 -4.177 8.715 2.562
40 H GLU 7 H GLU 7 -5.184 8.602 6.858
41 HA GLU 7 HA GLU 7 -4.124 11.278 6.684
42 1HB GLU 7 1HB GLU 7 -5.966 10.611 8.169
43 2HB GLU 7 2HB GLU 7 -4.861 9.598 9.116
44 1HG GLU 7 1HG GLU 7 -3.623 11.574 9.843
45 2HG GLU 7 2HG GLU 7 -4.494 12.587 8.689
46 H CYS 8 H CYS 8 -2.082 10.608 5.654
47 HA CYS 8 HA CYS 8 0.162 10.107 7.470
48 1HB CYS 8 1HB CYS 8 -1.244 8.065 5.901
49 2HB CYS 8 2HB CYS 8 0.395 8.243 5.309
50 HA PRO 9 HA PRO 9 2.159 12.340 4.166
51 1HB PRO 9 1HB PRO 9 4.747 11.510 4.196
52 2HB PRO 9 2HB PRO 9 4.006 12.329 5.606
53 1HG PRO 9 1HG PRO 9 4.406 9.352 5.178
54 2HG PRO 9 2HG PRO 9 4.774 10.322 6.639
55 1HD PRO 9 1HD PRO 9 2.457 8.861 6.241
56 2HD PRO 9 2HD PRO 9 2.527 10.289 7.303
57 H ARG 10 H ARG 10 2.938 12.220 1.981
58 HA ARG 10 HA ARG 10 2.486 9.694 0.528
59 1HB ARG 10 1HB ARG 10 3.413 12.460 -0.381
60 2HB ARG 10 2HB ARG 10 3.117 11.087 -1.455
61 1HG ARG 10 1HG ARG 10 0.737 11.050 -0.846
62 2HG ARG 10 2HG ARG 10 0.989 12.353 0.323
63 1HD ARG 10 1HD ARG 10 0.044 13.289 -1.698
64 2HD ARG 10 2HD ARG 10 1.701 13.875 -1.478
65 HE ARG 10 HE ARG 10 1.499 11.502 -3.146
66 1HH1 ARG 10 2HH2 ARG 10 1.283 15.020 -3.224
67 2HH1 ARG 10 1HH2 ARG 10 1.707 15.180 -4.894
68 1HH2 ARG 10 2HH1 ARG 10 2.058 11.675 -5.381
69 2HH2 ARG 10 1HH1 ARG 10 2.143 13.218 -6.145
70 H ALA 11 H ALA 11 4.428 9.322 2.455
71 HA ALA 11 HA ALA 11 7.053 9.755 1.604
72 1HB ALA 11 1HB ALA 11 7.617 8.144 3.401
73 2HB ALA 11 2HB ALA 11 6.473 9.373 3.959
74 3HB ALA 11 3HB ALA 11 5.899 7.728 3.569
75 H LEU 12 H LEU 12 8.458 8.481 0.405
76 HA LEU 12 HA LEU 12 7.428 6.311 -1.200
77 1HB LEU 12 1HB LEU 12 9.951 7.987 -0.896
78 2HB LEU 12 2HB LEU 12 9.998 6.558 -1.883
79 HG LEU 12 HG LEU 12 9.633 8.672 -3.078
80 1HD1 LEU 12 1HD1 LEU 12 7.469 6.560 -3.494
81 2HD1 LEU 12 2HD1 LEU 12 8.051 7.716 -4.707
82 3HD1 LEU 12 3HD1 LEU 12 9.142 6.467 -4.094
83 1HD2 LEU 12 1HD2 LEU 12 6.767 8.600 -2.093
84 2HD2 LEU 12 2HD2 LEU 12 8.000 9.795 -1.624
85 3HD2 LEU 12 3HD2 LEU 12 7.457 9.694 -3.301
86 H HIS 13 H HIS 13 7.213 5.446 1.392
87 HA HIS 13 HA HIS 13 9.635 3.848 2.095
88 1HB HIS 13 1HB HIS 13 7.065 4.296 3.649
89 2HB HIS 13 2HB HIS 13 8.468 3.391 4.204
90 HD1 HIS 13 HD1 HIS 13 7.630 5.743 5.986
91 HD2 HIS 13 HD2 HIS 13 10.353 6.031 2.781
92 HE1 HIS 13 HE1 HIS 13 9.074 7.809 6.419
93 H ARG 14 H ARG 14 8.467 3.120 -0.242
94 HA ARG 14 HA ARG 14 6.343 1.661 -0.522
95 1HB ARG 14 1HB ARG 14 8.982 0.944 -1.826
96 2HB ARG 14 2HB ARG 14 7.438 0.370 -2.395
97 1HG ARG 14 1HG ARG 14 6.905 2.279 -3.460
98 2HG ARG 14 2HG ARG 14 7.428 3.315 -2.142
99 1HD ARG 14 1HD ARG 14 9.330 1.944 -4.085
100 2HD ARG 14 2HD ARG 14 8.800 3.642 -4.183
101 HE ARG 14 HE ARG 14 9.706 3.106 -1.565
102 1HH1 ARG 14 2HH2 ARG 14 11.250 3.120 -4.736
103 2HH1 ARG 14 1HH2 ARG 14 12.715 3.880 -4.208
104 1HH2 ARG 14 2HH1 ARG 14 11.411 4.416 -0.931
105 2HH2 ARG 14 1HH1 ARG 14 12.889 4.521 -1.867
106 H VAL 15 H VAL 15 5.516 -0.370 -0.603
107 HA VAL 15 HA VAL 15 6.948 -2.611 0.669
108 HB VAL 15 HB VAL 15 5.179 -2.952 2.246
109 1HG1 VAL 15 1HG1 VAL 15 5.703 -1.237 3.811
110 2HG1 VAL 15 2HG1 VAL 15 7.139 -1.422 2.775
111 3HG1 VAL 15 3HG1 VAL 15 6.012 -0.084 2.500
112 1HG2 VAL 15 1HG2 VAL 15 3.951 -0.299 1.347
113 2HG2 VAL 15 2HG2 VAL 15 3.268 -1.903 1.015
114 3HG2 VAL 15 3HG2 VAL 15 3.402 -1.373 2.668
115 H CYS 16 H CYS 16 5.279 -4.618 0.702
116 HA CYS 16 HA CYS 16 3.745 -4.510 -1.858
117 1HB CYS 16 1HB CYS 16 5.705 -5.778 -2.049
118 2HB CYS 16 2HB CYS 16 5.433 -6.671 -0.584
119 H GLY 17 H GLY 17 1.696 -5.175 -1.907
120 1HA GLY 17 1HA GLY 17 0.505 -6.379 0.530
121 2HA GLY 17 2HA GLY 17 -0.395 -5.609 -0.747
122 H SER 18 H SER 18 -0.679 -8.182 0.254
123 HA SER 18 HA SER 18 0.299 -10.296 -0.780
124 1HB SER 18 1HB SER 18 -1.665 -11.460 -0.043
125 2HB SER 18 2HB SER 18 -1.466 -10.026 0.924
126 HG SER 18 HG SER 18 -3.667 -10.288 0.181
127 H ASP 19 H ASP 19 -1.468 -8.368 -2.972
128 HA ASP 19 HA ASP 19 -1.817 -10.551 -4.927
129 1HB ASP 19 1HB ASP 19 -3.509 -9.025 -5.094
130 2HB ASP 19 2HB ASP 19 -2.505 -7.652 -4.728
131 H GLY 20 H GLY 20 0.875 -8.673 -3.824
132 1HA GLY 20 1HA GLY 20 3.066 -8.983 -4.656
133 2HA GLY 20 2HA GLY 20 2.430 -9.285 -6.278
134 H ASN 21 H ASN 21 0.533 -6.851 -5.023
135 HA ASN 21 HA ASN 21 1.591 -4.897 -6.712
136 1HB ASN 21 1HB ASN 21 -0.312 -3.542 -5.643
137 2HB ASN 21 2HB ASN 21 -0.689 -4.885 -6.715
138 1HD2 ASN 21 1HD2 ASN 21 -2.785 -4.435 -5.600
139 2HD2 ASN 21 2HD2 ASN 21 -3.120 -5.567 -4.315
140 H THR 22 H THR 22 3.344 -3.638 -6.120
141 HA THR 22 HA THR 22 3.950 -3.125 -3.446
142 HB THR 22 HB THR 22 4.910 -1.685 -5.931
143 HG1 THR 22 HG1 THR 22 5.626 -3.697 -6.130
144 1HG2 THR 22 1HG2 THR 22 6.183 -1.872 -3.161
145 2HG2 THR 22 2HG2 THR 22 6.874 -1.073 -4.573
146 3HG2 THR 22 3HG2 THR 22 5.419 -0.409 -3.804
147 H TYR 23 H TYR 23 3.594 -1.184 -2.183
148 HA TYR 23 HA TYR 23 1.647 0.818 -3.205
149 1HB TYR 23 1HB TYR 23 1.931 -0.434 -0.433
150 2HB TYR 23 2HB TYR 23 1.009 1.011 -0.767
151 HD1 TYR 23 HD1 TYR 23 -1.277 0.869 -1.555
152 HD2 TYR 23 HD2 TYR 23 1.258 -2.627 -1.574
153 HE1 TYR 23 HE1 TYR 23 -3.212 -0.539 -2.211
154 HE2 TYR 23 HE2 TYR 23 -0.646 -4.010 -2.257
155 HH TYR 23 HH TYR 23 -2.811 -3.795 -3.380
156 H SER 24 H SER 24 2.208 2.995 -2.541
157 HA SER 24 HA SER 24 4.870 3.594 -2.605
158 1HB SER 24 1HB SER 24 2.762 5.397 -1.384
159 2HB SER 24 2HB SER 24 4.175 5.865 -2.343
160 HG SER 24 HG SER 24 3.171 5.042 -4.164
161 H ASN 25 H ASN 25 2.971 2.916 0.294
162 HA ASN 25 HA ASN 25 5.231 2.648 1.952
163 1HB ASN 25 1HB ASN 25 4.452 4.347 3.709
164 2HB ASN 25 2HB ASN 25 5.204 5.034 2.297
165 1HD2 ASN 25 1HD2 ASN 25 4.109 6.721 1.351
166 2HD2 ASN 25 2HD2 ASN 25 2.478 7.187 1.874
167 HA PRO 26 HA PRO 26 2.167 -0.040 3.591
168 1HB PRO 26 1HB PRO 26 2.664 -0.349 6.262
169 2HB PRO 26 2HB PRO 26 3.748 -0.973 4.987
170 1HG PRO 26 1HG PRO 26 4.032 1.559 6.596
171 2HG PRO 26 2HG PRO 26 5.294 0.360 6.166
172 1HD PRO 26 1HD PRO 26 4.905 2.714 4.830
173 2HD PRO 26 2HD PRO 26 5.543 1.267 4.033
174 H CYS 27 H CYS 27 2.263 3.187 4.828
175 HA CYS 27 HA CYS 27 -0.245 3.069 6.220
176 1HB CYS 27 1HB CYS 27 1.705 4.912 6.159
177 2HB CYS 27 2HB CYS 27 0.677 5.614 4.925
178 H MET 28 H MET 28 0.702 3.794 2.823
179 HA MET 28 HA MET 28 -1.946 4.265 1.855
180 1HB MET 28 1HB MET 28 0.549 3.275 0.416
181 2HB MET 28 2HB MET 28 -0.958 3.635 -0.388
182 1HG MET 28 1HG MET 28 0.141 5.752 1.439
183 2HG MET 28 2HG MET 28 1.027 5.433 -0.043
184 1HE MET 28 1HE MET 28 -1.338 6.398 -2.886
185 2HE MET 28 2HE MET 28 0.249 5.767 -2.386
186 3HE MET 28 3HE MET 28 -1.205 4.757 -2.229
187 H LEU 29 H LEU 29 -0.079 1.219 2.113
188 HA LEU 29 HA LEU 29 -2.055 -0.534 0.978
189 1HB LEU 29 1HB LEU 29 0.079 -1.282 1.250
190 2HB LEU 29 2HB LEU 29 0.146 -0.917 3.007
191 HG LEU 29 HG LEU 29 -1.184 -3.111 1.658
192 1HD1 LEU 29 1HD1 LEU 29 0.621 -4.542 2.490
193 2HD1 LEU 29 2HD1 LEU 29 1.239 -3.255 1.466
194 3HD1 LEU 29 3HD1 LEU 29 1.389 -3.123 3.234
195 1HD2 LEU 29 1HD2 LEU 29 -1.192 -4.210 3.988
196 2HD2 LEU 29 2HD2 LEU 29 -0.766 -2.628 4.643
197 3HD2 LEU 29 3HD2 LEU 29 -2.327 -2.882 3.809
198 H THR 30 H THR 30 -1.281 0.006 4.425
199 HA THR 30 HA THR 30 -3.621 -1.331 5.255
200 HB THR 30 HB THR 30 -1.533 -0.483 6.601
201 HG1 THR 30 HG1 THR 30 -4.137 -0.858 7.667
202 1HG2 THR 30 1HG2 THR 30 -2.212 1.884 6.453
203 2HG2 THR 30 2HG2 THR 30 -3.630 1.514 7.458
204 3HG2 THR 30 3HG2 THR 30 -1.981 1.288 8.113
205 H CYS 31 H CYS 31 -3.220 2.195 4.500
206 HA CYS 31 HA CYS 31 -5.590 3.092 5.204
207 1HB CYS 31 1HB CYS 31 -4.050 4.644 4.163
208 2HB CYS 31 2HB CYS 31 -3.917 3.662 2.737
209 H ALA 32 H ALA 32 -4.862 1.865 1.933
210 HA ALA 32 HA ALA 32 -7.384 1.560 0.805
211 1HB ALA 32 1HB ALA 32 -6.372 -0.185 -0.538
212 2HB ALA 32 2HB ALA 32 -5.282 1.228 -0.352
213 3HB ALA 32 3HB ALA 32 -4.983 -0.262 0.571
214 H LYS 33 H LYS 33 -5.651 -0.696 2.830
215 HA LYS 33 HA LYS 33 -7.392 -2.923 2.769
216 1HB LYS 33 1HB LYS 33 -5.011 -2.796 3.660
217 2HB LYS 33 2HB LYS 33 -5.685 -2.109 5.131
218 1HG LYS 33 1HG LYS 33 -7.089 -4.076 5.468
219 2HG LYS 33 2HG LYS 33 -6.478 -4.789 3.961
220 1HD LYS 33 1HD LYS 33 -4.314 -5.057 4.743
221 2HD LYS 33 2HD LYS 33 -4.534 -3.978 6.051
222 1HE LYS 33 1HE LYS 33 -6.184 -6.490 5.745
223 2HE LYS 33 2HE LYS 33 -4.602 -6.534 6.521
224 1HZ LYS 33 1HZ LYS 33 -6.939 -4.956 7.421
225 2HZ LYS 33 2HZ LYS 33 -6.369 -6.311 8.152
226 3HZ LYS 33 3HZ LYS 33 -5.468 -4.924 8.158
227 H HIS 34 H HIS 34 -7.108 -0.507 5.336
228 HA HIS 34 HA HIS 34 -9.496 -1.188 6.755
229 1HB HIS 34 1HB HIS 34 -7.742 1.305 6.566
230 2HB HIS 34 2HB HIS 34 -9.062 1.130 7.681
231 HD1 HIS 34 HD1 HIS 34 -6.046 1.489 8.698
232 HD2 HIS 34 HD2 HIS 34 -8.015 -2.185 8.127
233 HE1 HIS 34 HE1 HIS 34 -4.781 -0.253 10.097
234 H GLU 35 H GLU 35 -8.808 0.843 4.011
235 HA GLU 35 HA GLU 35 -11.333 2.319 4.203
236 1HB GLU 35 1HB GLU 35 -9.198 3.030 2.988
237 2HB GLU 35 2HB GLU 35 -9.733 2.052 1.641
238 1HG GLU 35 1HG GLU 35 -11.438 4.275 2.809
239 2HG GLU 35 2HG GLU 35 -10.112 4.605 1.735
240 H GLY 36 H GLY 36 -10.315 -0.183 1.816
241 1HA GLY 36 1HA GLY 36 -12.985 -1.437 1.900
242 2HA GLY 36 2HA GLY 36 -12.573 -0.560 0.425
243 H ASN 37 H ASN 37 -9.945 -2.269 2.129
244 HA ASN 37 HA ASN 37 -10.148 -4.492 0.125
245 1HB ASN 37 1HB ASN 37 -8.286 -2.594 -0.345
246 2HB ASN 37 2HB ASN 37 -7.422 -3.409 0.860
247 1HD2 ASN 37 1HD2 ASN 37 -6.509 -3.303 -1.781
248 2HD2 ASN 37 2HD2 ASN 37 -6.489 -4.972 -2.318
249 HA PRO 38 HA PRO 38 -9.628 -5.689 4.634
250 1HB PRO 38 1HB PRO 38 -11.558 -7.671 4.798
251 2HB PRO 38 2HB PRO 38 -11.861 -5.931 5.089
252 1HG PRO 38 1HG PRO 38 -12.305 -7.499 2.528
253 2HG PRO 38 2HG PRO 38 -13.433 -6.367 3.343
254 1HD PRO 38 1HD PRO 38 -11.901 -5.564 1.252
255 2HD PRO 38 2HD PRO 38 -12.169 -4.479 2.652
256 H ASP 39 H ASP 39 -9.515 -7.344 1.635
257 HA ASP 39 HA ASP 39 -8.347 -9.862 2.470
258 1HB ASP 39 1HB ASP 39 -9.691 -8.744 0.248
259 2HB ASP 39 2HB ASP 39 -8.073 -8.974 -0.343
260 H LEU 40 H LEU 40 -7.136 -6.659 1.883
261 HA LEU 40 HA LEU 40 -4.493 -7.432 0.822
262 1HB LEU 40 1HB LEU 40 -5.271 -5.306 0.086
263 2HB LEU 40 2HB LEU 40 -5.934 -4.914 1.678
264 HG LEU 40 HG LEU 40 -3.928 -4.505 2.599
265 1HD1 LEU 40 1HD1 LEU 40 -1.907 -5.067 1.902
266 2HD1 LEU 40 2HD1 LEU 40 -2.686 -5.973 0.596
267 3HD1 LEU 40 3HD1 LEU 40 -2.161 -4.331 0.274
268 1HD2 LEU 40 1HD2 LEU 40 -4.113 -3.027 -0.072
269 2HD2 LEU 40 2HD2 LEU 40 -4.964 -2.598 1.404
270 3HD2 LEU 40 3HD2 LEU 40 -3.200 -2.445 1.312
271 H VAL 41 H VAL 41 -2.640 -7.396 2.109
272 HA VAL 41 HA VAL 41 -2.827 -6.952 4.965
273 HB VAL 41 HB VAL 41 -1.802 -9.164 5.397
274 1HG1 VAL 41 1HG1 VAL 41 -4.485 -9.564 4.053
275 2HG1 VAL 41 2HG1 VAL 41 -3.775 -10.491 5.378
276 3HG1 VAL 41 3HG1 VAL 41 -4.271 -8.803 5.657
277 1HG2 VAL 41 1HG2 VAL 41 -1.913 -10.986 3.804
278 2HG2 VAL 41 2HG2 VAL 41 -2.688 -9.944 2.604
279 3HG2 VAL 41 3HG2 VAL 41 -0.990 -9.661 3.101
280 H GLN 42 H GLN 42 -0.647 -6.912 5.895
281 HA GLN 42 HA GLN 42 1.429 -5.988 4.085
282 1HB GLN 42 1HB GLN 42 1.051 -5.112 6.443
283 2HB GLN 42 2HB GLN 42 1.591 -6.669 7.054
284 1HG GLN 42 1HG GLN 42 3.587 -5.461 7.090
285 2HG GLN 42 2HG GLN 42 3.733 -6.231 5.518
286 1HE2 GLN 42 1HE2 GLN 42 4.204 -4.772 3.749
287 2HE2 GLN 42 2HE2 GLN 42 4.007 -3.063 4.004
288 H VAL 43 H VAL 43 1.433 -8.009 2.739
289 HA VAL 43 HA VAL 43 2.332 -10.454 3.728
290 HB VAL 43 HB VAL 43 3.397 -10.722 1.375
291 1HG1 VAL 43 1HG1 VAL 43 1.295 -11.453 0.567
292 2HG1 VAL 43 2HG1 VAL 43 1.265 -11.710 2.301
293 3HG1 VAL 43 3HG1 VAL 43 0.430 -10.298 1.630
294 1HG2 VAL 43 1HG2 VAL 43 1.608 -8.296 0.943
295 2HG2 VAL 43 2HG2 VAL 43 3.365 -8.343 0.707
296 3HG2 VAL 43 3HG2 VAL 43 2.321 -9.316 -0.333
297 H HIS 44 H HIS 44 4.135 -7.520 2.681
298 HA HIS 44 HA HIS 44 6.275 -8.133 4.531
299 1HB HIS 44 1HB HIS 44 6.999 -9.389 2.532
300 2HB HIS 44 2HB HIS 44 6.791 -7.942 1.536
301 HD1 HIS 44 HD1 HIS 44 8.770 -8.351 4.898
302 HD2 HIS 44 HD2 HIS 44 9.208 -7.294 0.840
303 HE1 HIS 44 HE1 HIS 44 11.146 -7.466 4.620
304 H GLU 45 H GLU 45 7.203 -6.168 5.220
305 HA GLU 45 HA GLU 45 6.177 -3.670 4.077
306 1HB GLU 45 1HB GLU 45 6.905 -2.612 6.083
307 2HB GLU 45 2HB GLU 45 5.887 -4.007 6.440
308 1HG GLU 45 1HG GLU 45 7.997 -5.362 6.835
309 2HG GLU 45 2HG GLU 45 8.879 -3.848 6.619
310 H GLY 46 H GLY 46 7.772 -5.070 2.367
311 1HA GLY 46 1HA GLY 46 9.543 -2.911 1.673
312 2HA GLY 46 2HA GLY 46 10.312 -4.522 1.732
313 HA PRO 47 HA PRO 47 7.345 -3.681 -1.910
314 1HB PRO 47 1HB PRO 47 8.858 -2.848 -3.989
315 2HB PRO 47 2HB PRO 47 8.412 -1.764 -2.631
316 1HG PRO 47 1HG PRO 47 11.007 -3.299 -2.949
317 2HG PRO 47 2HG PRO 47 10.792 -1.544 -2.628
318 1HD PRO 47 1HD PRO 47 11.195 -3.329 -0.608
319 2HD PRO 47 2HD PRO 47 10.097 -1.939 -0.408
320 H CYS 48 H CYS 48 6.776 -5.036 -3.591
321 HA CYS 48 HA CYS 48 8.271 -7.599 -3.861
322 1HB CYS 48 1HB CYS 48 5.519 -6.611 -4.652
323 2HB CYS 48 2HB CYS 48 6.182 -8.022 -5.423
324 H ASP 49 H ASP 49 6.478 -5.469 -6.118
325 HA ASP 49 HA ASP 49 8.536 -4.996 -7.916
326 1HB ASP 49 1HB ASP 49 8.175 -7.471 -8.305
327 2HB ASP 49 2HB ASP 49 6.476 -7.136 -8.629
328 H GLU 50 H GLU 50 7.490 -3.979 -9.917
329 HA GLU 50 HA GLU 50 4.825 -3.690 -10.350
330 1HB GLU 50 1HB GLU 50 4.775 -2.102 -8.383
331 2HB GLU 50 2HB GLU 50 5.961 -1.083 -9.193
332 1HG GLU 50 1HG GLU 50 3.604 -0.270 -9.385
333 2HG GLU 50 2HG GLU 50 4.382 -0.548 -10.938
334 H HIS 51 H HIS 51 4.526 -2.445 -12.417
335 HA HIS 51 HA HIS 51 7.089 -1.650 -13.694
336 1HB HIS 51 1HB HIS 51 6.397 -4.207 -13.980
337 2HB HIS 51 2HB HIS 51 5.409 -3.554 -15.288
338 HD1 HIS 51 HD1 HIS 51 9.056 -3.721 -14.084
339 HD2 HIS 51 HD2 HIS 51 6.781 -2.672 -17.468
340 HE1 HIS 51 HE1 HIS 51 10.724 -3.304 -16.005
341 H ASP 52 H ASP 52 4.848 -0.008 -12.868
342 HA ASP 52 HA ASP 52 4.786 1.742 -15.013
343 1HB ASP 52 1HB ASP 52 2.829 -0.093 -15.548
344 2HB ASP 52 2HB ASP 52 1.951 0.889 -14.391
345 H HIS 53 H HIS 53 2.806 3.413 -14.191
346 HA HIS 53 HA HIS 53 2.343 3.171 -11.334
347 1HB HIS 53 1HB HIS 53 4.440 4.547 -11.429
348 2HB HIS 53 2HB HIS 53 3.539 5.803 -12.273
349 HD1 HIS 53 HD1 HIS 53 0.827 5.462 -10.259
350 HD2 HIS 53 HD2 HIS 53 4.911 5.939 -9.236
351 HE1 HIS 53 HE1 HIS 53 0.895 6.384 -7.910
352 H ASP 54 H ASP 54 0.361 2.547 -12.501
353 HA ASP 54 HA ASP 54 -1.433 4.374 -13.624
354 1HB ASP 54 1HB ASP 54 -1.856 2.097 -11.643
355 2HB ASP 54 2HB ASP 54 -3.151 2.894 -12.547
356 H PHE 55 H PHE 55 -3.436 5.353 -12.400
357 HA PHE 55 HA PHE 55 -3.118 6.246 -9.724
358 1HB PHE 55 2HB PHE 55 -3.048 8.669 -10.396
359 2HB PHE 55 1HB PHE 55 -1.538 7.814 -10.646
360 HD1 PHE 55 HD1 PHE 55 -0.553 7.619 -12.835
361 HD2 PHE 55 HD2 PHE 55 -4.555 9.154 -12.408
362 HE1 PHE 55 HE1 PHE 55 -0.528 8.324 -15.206
363 HE2 PHE 55 HE2 PHE 55 -4.528 9.872 -14.786
364 HZ PHE 55 HZ PHE 55 -2.513 9.462 -16.192
Start of MODEL 18
1 1H PHE 1 1H PHE 1 -15.888 5.724 4.553
2 2H PHE 1 2H PHE 1 -15.698 4.950 5.996
3 3H PHE 1 3H PHE 1 -15.209 6.528 5.820
4 HA PHE 1 HA PHE 1 -13.239 5.094 5.708
5 1HB PHE 1 2HB PHE 1 -13.829 3.752 3.246
6 2HB PHE 1 1HB PHE 1 -13.251 3.206 4.790
7 HD1 PHE 1 HD1 PHE 1 -14.764 2.347 6.575
8 HD2 PHE 1 HD2 PHE 1 -16.190 3.410 2.639
9 HE1 PHE 1 HE1 PHE 1 -16.906 1.186 7.031
10 HE2 PHE 1 HE2 PHE 1 -18.326 2.233 3.103
11 HZ PHE 1 HZ PHE 1 -18.690 1.130 5.302
12 H GLN 2 H GLN 2 -12.111 6.895 5.202
13 HA GLN 2 HA GLN 2 -10.938 6.787 2.884
14 1HB GLN 2 1HB GLN 2 -12.841 7.914 1.710
15 2HB GLN 2 2HB GLN 2 -12.545 9.371 2.657
16 1HG GLN 2 1HG GLN 2 -10.271 9.494 1.701
17 2HG GLN 2 2HG GLN 2 -10.487 7.911 0.933
18 1HE2 GLN 2 1HE2 GLN 2 -12.158 7.690 -0.743
19 2HE2 GLN 2 2HE2 GLN 2 -12.568 9.116 -1.710
20 H GLY 3 H GLY 3 -11.755 9.872 4.352
21 1HA GLY 3 1HA GLY 3 -9.031 10.520 5.115
22 2HA GLY 3 2HA GLY 3 -10.483 11.502 5.367
23 H ASN 4 H ASN 4 -9.177 8.405 6.418
24 HA ASN 4 HA ASN 4 -8.801 9.161 9.133
25 1HB ASN 4 1HB ASN 4 -11.401 7.911 8.595
26 2HB ASN 4 2HB ASN 4 -10.401 6.835 9.570
27 1HD2 ASN 4 1HD2 ASN 4 -10.758 10.449 9.493
28 2HD2 ASN 4 2HD2 ASN 4 -11.056 10.551 11.233
29 HA PRO 5 HA PRO 5 -6.880 4.900 7.937
30 1HB PRO 5 1HB PRO 5 -7.467 4.117 5.310
31 2HB PRO 5 2HB PRO 5 -8.094 3.354 6.801
32 1HG PRO 5 1HG PRO 5 -9.293 5.298 4.891
33 2HG PRO 5 2HG PRO 5 -10.081 3.952 5.762
34 1HD PRO 5 1HD PRO 5 -10.348 6.558 6.607
35 2HD PRO 5 2HD PRO 5 -10.244 5.213 7.769
36 H CYS 6 H CYS 6 -7.634 7.090 5.090
37 HA CYS 6 HA CYS 6 -4.718 7.256 4.571
38 1HB CYS 6 1HB CYS 6 -7.177 7.921 2.990
39 2HB CYS 6 2HB CYS 6 -5.674 8.777 2.664
40 H GLU 7 H GLU 7 -4.180 8.311 6.473
41 HA GLU 7 HA GLU 7 -4.503 11.254 6.280
42 1HB GLU 7 1HB GLU 7 -6.083 10.004 7.940
43 2HB GLU 7 2HB GLU 7 -4.656 9.821 8.957
44 1HG GLU 7 1HG GLU 7 -4.393 12.278 9.032
45 2HG GLU 7 2HG GLU 7 -5.685 12.481 7.845
46 H CYS 8 H CYS 8 -2.402 10.123 5.127
47 HA CYS 8 HA CYS 8 -0.131 10.053 7.037
48 1HB CYS 8 1HB CYS 8 -1.416 7.862 5.588
49 2HB CYS 8 2HB CYS 8 0.253 8.029 5.078
50 HA PRO 9 HA PRO 9 2.027 12.229 3.925
51 1HB PRO 9 1HB PRO 9 4.641 11.617 4.294
52 2HB PRO 9 2HB PRO 9 3.662 12.311 5.623
53 1HG PRO 9 1HG PRO 9 4.297 9.379 5.120
54 2HG PRO 9 2HG PRO 9 4.497 10.306 6.642
55 1HD PRO 9 1HD PRO 9 2.284 8.779 6.074
56 2HD PRO 9 2HD PRO 9 2.210 10.253 7.077
57 H ARG 10 H ARG 10 3.483 12.169 2.025
58 HA ARG 10 HA ARG 10 3.213 9.716 0.399
59 1HB ARG 10 1HB ARG 10 4.327 12.462 -0.319
60 2HB ARG 10 2HB ARG 10 4.081 11.107 -1.430
61 1HG ARG 10 1HG ARG 10 1.614 11.154 -0.823
62 2HG ARG 10 2HG ARG 10 1.912 12.678 0.026
63 1HD ARG 10 1HD ARG 10 2.441 12.122 -2.923
64 2HD ARG 10 2HD ARG 10 1.060 13.024 -2.272
65 HE ARG 10 HE ARG 10 3.258 14.334 -1.260
66 1HH1 ARG 10 2HH2 ARG 10 2.120 13.575 -4.510
67 2HH1 ARG 10 1HH2 ARG 10 2.878 14.927 -5.280
68 1HH2 ARG 10 2HH1 ARG 10 4.289 16.159 -2.250
69 2HH2 ARG 10 1HH1 ARG 10 4.132 16.432 -3.945
70 H ALA 11 H ALA 11 4.800 9.241 2.609
71 HA ALA 11 HA ALA 11 7.546 9.442 2.124
72 1HB ALA 11 1HB ALA 11 5.883 7.504 3.798
73 2HB ALA 11 2HB ALA 11 7.651 7.658 3.898
74 3HB ALA 11 3HB ALA 11 6.619 9.022 4.358
75 H LEU 12 H LEU 12 8.875 8.129 0.813
76 HA LEU 12 HA LEU 12 7.694 6.343 -1.086
77 1HB LEU 12 1HB LEU 12 10.297 7.763 -0.514
78 2HB LEU 12 2HB LEU 12 10.364 6.439 -1.626
79 HG LEU 12 HG LEU 12 10.127 8.680 -2.607
80 1HD1 LEU 12 1HD1 LEU 12 7.976 6.658 -3.394
81 2HD1 LEU 12 2HD1 LEU 12 8.664 7.914 -4.442
82 3HD1 LEU 12 3HD1 LEU 12 9.685 6.588 -3.874
83 1HD2 LEU 12 1HD2 LEU 12 7.962 9.728 -2.900
84 2HD2 LEU 12 2HD2 LEU 12 7.200 8.543 -1.828
85 3HD2 LEU 12 3HD2 LEU 12 8.409 9.683 -1.192
86 H HIS 13 H HIS 13 7.320 4.991 1.252
87 HA HIS 13 HA HIS 13 9.397 2.850 1.460
88 1HB HIS 13 1HB HIS 13 6.766 3.334 2.901
89 2HB HIS 13 2HB HIS 13 7.622 1.797 2.964
90 HD1 HIS 13 HD1 HIS 13 8.449 1.690 5.466
91 HD2 HIS 13 HD2 HIS 13 9.148 5.378 3.447
92 HE1 HIS 13 HE1 HIS 13 9.801 3.149 7.006
93 H ARG 14 H ARG 14 9.151 2.312 -1.025
94 HA ARG 14 HA ARG 14 6.674 1.366 -1.960
95 1HB ARG 14 1HB ARG 14 9.481 0.459 -2.698
96 2HB ARG 14 2HB ARG 14 8.019 0.206 -3.643
97 1HG ARG 14 1HG ARG 14 8.149 2.209 -4.575
98 2HG ARG 14 2HG ARG 14 8.174 3.055 -3.060
99 1HD ARG 14 1HD ARG 14 10.566 1.767 -4.405
100 2HD ARG 14 2HD ARG 14 10.171 3.495 -4.455
101 HE ARG 14 HE ARG 14 10.255 3.347 -1.879
102 1HH1 ARG 14 2HH2 ARG 14 12.385 1.103 -3.813
103 2HH1 ARG 14 1HH2 ARG 14 13.705 1.308 -2.742
104 1HH2 ARG 14 2HH1 ARG 14 11.930 3.497 -0.507
105 2HH2 ARG 14 1HH1 ARG 14 13.410 2.593 -0.730
106 H VAL 15 H VAL 15 5.517 -0.302 -1.221
107 HA VAL 15 HA VAL 15 6.893 -2.619 0.054
108 HB VAL 15 HB VAL 15 5.114 -2.623 1.722
109 1HG1 VAL 15 1HG1 VAL 15 5.928 -0.886 3.155
110 2HG1 VAL 15 2HG1 VAL 15 7.284 -1.631 2.256
111 3HG1 VAL 15 3HG1 VAL 15 6.672 -0.049 1.801
112 1HG2 VAL 15 1HG2 VAL 15 3.768 -0.642 2.184
113 2HG2 VAL 15 2HG2 VAL 15 4.387 0.184 0.740
114 3HG2 VAL 15 3HG2 VAL 15 3.370 -1.272 0.603
115 H CYS 16 H CYS 16 5.540 -4.612 -0.013
116 HA CYS 16 HA CYS 16 3.585 -4.419 -2.257
117 1HB CYS 16 1HB CYS 16 5.507 -5.590 -2.749
118 2HB CYS 16 2HB CYS 16 5.429 -6.604 -1.314
119 H GLY 17 H GLY 17 1.565 -5.043 -2.074
120 1HA GLY 17 1HA GLY 17 0.652 -6.253 0.489
121 2HA GLY 17 2HA GLY 17 -0.387 -5.500 -0.718
122 H SER 18 H SER 18 -0.621 -8.068 0.290
123 HA SER 18 HA SER 18 0.109 -10.292 -0.591
124 1HB SER 18 1HB SER 18 -1.858 -11.096 0.148
125 2HB SER 18 2HB SER 18 -2.127 -9.423 0.575
126 HG SER 18 HG SER 18 -3.325 -9.183 -1.557
127 H ASP 19 H ASP 19 -1.800 -8.450 -2.687
128 HA ASP 19 HA ASP 19 -2.276 -10.021 -4.866
129 1HB ASP 19 1HB ASP 19 -2.039 -7.001 -4.479
130 2HB ASP 19 2HB ASP 19 -2.990 -7.764 -5.740
131 H GLY 20 H GLY 20 0.841 -9.040 -3.983
132 1HA GLY 20 1HA GLY 20 2.824 -8.922 -5.143
133 2HA GLY 20 2HA GLY 20 1.973 -9.083 -6.685
134 H ASN 21 H ASN 21 0.244 -6.824 -5.033
135 HA ASN 21 HA ASN 21 1.014 -4.815 -6.812
136 1HB ASN 21 1HB ASN 21 -1.333 -5.547 -5.975
137 2HB ASN 21 2HB ASN 21 -1.020 -4.514 -4.575
138 1HD2 ASN 21 1HD2 ASN 21 -1.181 -4.618 -8.162
139 2HD2 ASN 21 2HD2 ASN 21 -1.764 -2.970 -8.297
140 H THR 22 H THR 22 2.981 -3.662 -6.326
141 HA THR 22 HA THR 22 3.620 -2.974 -3.708
142 HB THR 22 HB THR 22 4.558 -1.710 -6.270
143 HG1 THR 22 HG1 THR 22 4.971 -3.734 -6.400
144 1HG2 THR 22 1HG2 THR 22 5.239 -0.293 -4.352
145 2HG2 THR 22 2HG2 THR 22 5.913 -1.725 -3.538
146 3HG2 THR 22 3HG2 THR 22 6.612 -1.148 -5.061
147 H TYR 23 H TYR 23 3.432 -1.015 -2.527
148 HA TYR 23 HA TYR 23 1.510 1.052 -3.463
149 1HB TYR 23 1HB TYR 23 1.853 -0.244 -0.714
150 2HB TYR 23 2HB TYR 23 1.042 1.279 -0.959
151 HD1 TYR 23 HD1 TYR 23 0.862 -2.367 -1.741
152 HD2 TYR 23 HD2 TYR 23 -1.247 1.394 -1.629
153 HE1 TYR 23 HE1 TYR 23 -1.281 -3.559 -2.112
154 HE2 TYR 23 HE2 TYR 23 -3.385 0.220 -1.980
155 HH TYR 23 HH TYR 23 -4.330 -1.837 -2.660
156 H SER 24 H SER 24 2.186 3.194 -2.810
157 HA SER 24 HA SER 24 4.890 3.685 -2.729
158 1HB SER 24 1HB SER 24 2.789 5.596 -1.691
159 2HB SER 24 2HB SER 24 4.253 5.963 -2.610
160 HG SER 24 HG SER 24 2.368 6.032 -3.914
161 H ASN 25 H ASN 25 2.831 2.941 0.026
162 HA ASN 25 HA ASN 25 4.936 2.769 1.810
163 1HB ASN 25 1HB ASN 25 4.173 4.390 3.556
164 2HB ASN 25 2HB ASN 25 5.045 5.035 2.208
165 1HD2 ASN 25 1HD2 ASN 25 4.230 6.838 1.400
166 2HD2 ASN 25 2HD2 ASN 25 2.672 7.532 1.914
167 HA PRO 26 HA PRO 26 2.111 -0.077 3.392
168 1HB PRO 26 1HB PRO 26 2.792 -0.344 6.037
169 2HB PRO 26 2HB PRO 26 3.777 -0.941 4.663
170 1HG PRO 26 1HG PRO 26 4.172 1.584 6.231
171 2HG PRO 26 2HG PRO 26 5.390 0.384 5.676
172 1HD PRO 26 1HD PRO 26 4.924 2.703 4.387
173 2HD PRO 26 2HD PRO 26 5.372 1.224 3.509
174 H CYS 27 H CYS 27 2.148 3.140 4.725
175 HA CYS 27 HA CYS 27 -0.287 2.939 6.227
176 1HB CYS 27 1HB CYS 27 1.570 4.812 6.181
177 2HB CYS 27 2HB CYS 27 0.577 5.491 4.898
178 H MET 28 H MET 28 0.451 3.891 2.804
179 HA MET 28 HA MET 28 -2.277 4.300 2.063
180 1HB MET 28 1HB MET 28 0.156 3.504 0.435
181 2HB MET 28 2HB MET 28 -1.455 3.661 -0.277
182 1HG MET 28 1HG MET 28 -1.638 5.973 0.501
183 2HG MET 28 2HG MET 28 -0.075 5.860 1.300
184 1HE MET 28 1HE MET 28 -1.025 4.476 -2.368
185 2HE MET 28 2HE MET 28 -2.001 5.938 -2.085
186 3HE MET 28 3HE MET 28 -0.697 5.953 -3.295
187 H LEU 29 H LEU 29 -0.369 1.259 2.068
188 HA LEU 29 HA LEU 29 -2.410 -0.481 1.092
189 1HB LEU 29 1HB LEU 29 -0.346 -1.357 1.197
190 2HB LEU 29 2HB LEU 29 0.036 -0.794 2.801
191 HG LEU 29 HG LEU 29 -1.910 -2.985 2.473
192 1HD1 LEU 29 1HD1 LEU 29 0.034 -4.580 2.494
193 2HD1 LEU 29 2HD1 LEU 29 0.034 -3.571 1.052
194 3HD1 LEU 29 3HD1 LEU 29 1.130 -3.193 2.393
195 1HD2 LEU 29 1HD2 LEU 29 -0.148 -2.094 4.716
196 2HD2 LEU 29 2HD2 LEU 29 -1.851 -2.613 4.727
197 3HD2 LEU 29 3HD2 LEU 29 -0.585 -3.802 4.571
198 H THR 30 H THR 30 -1.430 -0.004 4.454
199 HA THR 30 HA THR 30 -3.693 -1.345 5.466
200 HB THR 30 HB THR 30 -1.463 -0.448 6.590
201 HG1 THR 30 HG1 THR 30 -2.391 -1.097 8.549
202 1HG2 THR 30 1HG2 THR 30 -3.563 1.395 7.736
203 2HG2 THR 30 2HG2 THR 30 -1.847 1.248 8.220
204 3HG2 THR 30 3HG2 THR 30 -2.269 1.875 6.614
205 H CYS 31 H CYS 31 -3.388 2.114 4.617
206 HA CYS 31 HA CYS 31 -5.731 3.025 5.640
207 1HB CYS 31 1HB CYS 31 -4.501 4.743 4.583
208 2HB CYS 31 2HB CYS 31 -4.158 3.761 3.174
209 H ALA 32 H ALA 32 -5.210 1.919 2.304
210 HA ALA 32 HA ALA 32 -7.773 1.581 1.315
211 1HB ALA 32 1HB ALA 32 -5.381 -0.207 0.891
212 2HB ALA 32 2HB ALA 32 -6.816 -0.061 -0.151
213 3HB ALA 32 3HB ALA 32 -5.710 1.338 0.066
214 H LYS 33 H LYS 33 -5.895 -0.667 3.182
215 HA LYS 33 HA LYS 33 -7.595 -2.929 3.191
216 1HB LYS 33 1HB LYS 33 -5.183 -2.789 3.987
217 2HB LYS 33 2HB LYS 33 -5.816 -2.147 5.509
218 1HG LYS 33 1HG LYS 33 -7.198 -4.128 5.821
219 2HG LYS 33 2HG LYS 33 -6.644 -4.778 4.262
220 1HD LYS 33 1HD LYS 33 -4.482 -5.127 4.922
221 2HD LYS 33 2HD LYS 33 -4.597 -4.139 6.310
222 1HE LYS 33 1HE LYS 33 -6.342 -6.583 5.864
223 2HE LYS 33 2HE LYS 33 -4.765 -6.717 6.633
224 1HZ LYS 33 1HZ LYS 33 -7.055 -5.137 7.642
225 2HZ LYS 33 2HZ LYS 33 -6.573 -6.591 8.234
226 3HZ LYS 33 3HZ LYS 33 -5.598 -5.268 8.406
227 H HIS 34 H HIS 34 -7.308 -0.442 5.756
228 HA HIS 34 HA HIS 34 -9.755 -1.303 7.041
229 1HB HIS 34 1HB HIS 34 -7.562 0.505 7.614
230 2HB HIS 34 2HB HIS 34 -9.065 1.389 7.786
231 HD1 HIS 34 HD1 HIS 34 -11.004 -0.151 9.290
232 HD2 HIS 34 HD2 HIS 34 -6.871 -0.795 9.780
233 HE1 HIS 34 HE1 HIS 34 -10.700 -1.347 11.548
234 H GLU 35 H GLU 35 -9.104 0.799 4.306
235 HA GLU 35 HA GLU 35 -11.494 2.335 4.730
236 1HB GLU 35 1HB GLU 35 -9.295 2.929 3.451
237 2HB GLU 35 2HB GLU 35 -10.104 2.227 2.073
238 1HG GLU 35 1HG GLU 35 -11.506 4.371 3.625
239 2HG GLU 35 2HG GLU 35 -10.076 4.815 2.738
240 H GLY 36 H GLY 36 -10.589 -0.258 2.412
241 1HA GLY 36 1HA GLY 36 -13.274 -1.407 2.486
242 2HA GLY 36 2HA GLY 36 -12.907 -0.558 0.984
243 H ASN 37 H ASN 37 -10.262 -2.307 2.682
244 HA ASN 37 HA ASN 37 -10.514 -4.532 0.689
245 1HB ASN 37 1HB ASN 37 -8.724 -2.575 0.122
246 2HB ASN 37 2HB ASN 37 -7.779 -3.378 1.274
247 1HD2 ASN 37 1HD2 ASN 37 -7.007 -3.228 -1.402
248 2HD2 ASN 37 2HD2 ASN 37 -7.007 -4.888 -1.985
249 HA PRO 38 HA PRO 38 -9.748 -5.628 5.217
250 1HB PRO 38 1HB PRO 38 -11.591 -7.690 5.453
251 2HB PRO 38 2HB PRO 38 -11.935 -5.966 5.788
252 1HG PRO 38 1HG PRO 38 -12.475 -7.519 3.241
253 2HG PRO 38 2HG PRO 38 -13.578 -6.414 4.119
254 1HD PRO 38 1HD PRO 38 -12.178 -5.582 1.950
255 2HD PRO 38 2HD PRO 38 -12.400 -4.497 3.360
256 H ASP 39 H ASP 39 -10.045 -7.465 2.311
257 HA ASP 39 HA ASP 39 -8.692 -9.881 2.790
258 1HB ASP 39 1HB ASP 39 -9.466 -8.088 0.460
259 2HB ASP 39 2HB ASP 39 -8.524 -9.533 0.188
260 H LEU 40 H LEU 40 -7.417 -6.640 2.175
261 HA LEU 40 HA LEU 40 -4.862 -7.510 0.969
262 1HB LEU 40 1HB LEU 40 -5.533 -5.387 0.244
263 2HB LEU 40 2HB LEU 40 -6.230 -4.970 1.809
264 HG LEU 40 HG LEU 40 -4.192 -4.517 2.768
265 1HD1 LEU 40 1HD1 LEU 40 -2.924 -5.768 0.533
266 2HD1 LEU 40 2HD1 LEU 40 -2.382 -4.086 0.584
267 3HD1 LEU 40 3HD1 LEU 40 -2.203 -5.112 2.028
268 1HD2 LEU 40 1HD2 LEU 40 -4.633 -3.069 0.118
269 2HD2 LEU 40 2HD2 LEU 40 -5.379 -2.672 1.664
270 3HD2 LEU 40 3HD2 LEU 40 -3.650 -2.402 1.407
271 H VAL 41 H VAL 41 -2.863 -7.346 2.103
272 HA VAL 41 HA VAL 41 -2.844 -7.006 4.982
273 HB VAL 41 HB VAL 41 -1.699 -9.199 5.246
274 1HG1 VAL 41 1HG1 VAL 41 -3.630 -10.576 5.352
275 2HG1 VAL 41 2HG1 VAL 41 -4.150 -8.912 5.729
276 3HG1 VAL 41 3HG1 VAL 41 -4.478 -9.631 4.127
277 1HG2 VAL 41 1HG2 VAL 41 -2.834 -9.947 2.525
278 2HG2 VAL 41 2HG2 VAL 41 -1.122 -9.554 2.821
279 3HG2 VAL 41 3HG2 VAL 41 -1.857 -10.952 3.602
280 H GLN 42 H GLN 42 -0.680 -6.715 5.769
281 HA GLN 42 HA GLN 42 1.323 -5.901 3.805
282 1HB GLN 42 1HB GLN 42 0.965 -4.799 6.122
283 2HB GLN 42 2HB GLN 42 1.715 -6.226 6.811
284 1HG GLN 42 1HG GLN 42 3.511 -4.698 6.519
285 2HG GLN 42 2HG GLN 42 3.689 -5.797 5.152
286 1HE2 GLN 42 1HE2 GLN 42 4.164 -4.591 3.165
287 2HE2 GLN 42 2HE2 GLN 42 3.417 -3.031 2.906
288 H VAL 43 H VAL 43 1.377 -7.963 2.671
289 HA VAL 43 HA VAL 43 2.298 -10.334 3.796
290 HB VAL 43 HB VAL 43 3.373 -10.695 1.466
291 1HG1 VAL 43 1HG1 VAL 43 1.183 -11.619 2.368
292 2HG1 VAL 43 2HG1 VAL 43 0.383 -10.260 1.551
293 3HG1 VAL 43 3HG1 VAL 43 1.318 -11.461 0.624
294 1HG2 VAL 43 1HG2 VAL 43 1.659 -8.236 0.908
295 2HG2 VAL 43 2HG2 VAL 43 3.412 -8.365 0.693
296 3HG2 VAL 43 3HG2 VAL 43 2.329 -9.328 -0.321
297 H HIS 44 H HIS 44 4.071 -7.389 2.766
298 HA HIS 44 HA HIS 44 6.389 -8.064 4.411
299 1HB HIS 44 1HB HIS 44 6.768 -9.362 2.330
300 2HB HIS 44 2HB HIS 44 6.478 -7.917 1.361
301 HD1 HIS 44 HD1 HIS 44 8.630 -6.789 0.603
302 HD2 HIS 44 HD2 HIS 44 9.011 -8.982 4.183
303 HE1 HIS 44 HE1 HIS 44 11.128 -6.738 1.261
304 H GLU 45 H GLU 45 7.443 -6.061 5.009
305 HA GLU 45 HA GLU 45 6.421 -3.583 3.757
306 1HB GLU 45 1HB GLU 45 6.656 -3.733 6.291
307 2HB GLU 45 2HB GLU 45 8.415 -3.669 6.041
308 1HG GLU 45 1HG GLU 45 7.907 -1.605 4.513
309 2HG GLU 45 2HG GLU 45 6.276 -1.678 5.177
310 H GLY 46 H GLY 46 7.404 -4.623 1.753
311 1HA GLY 46 1HA GLY 46 9.466 -2.922 0.920
312 2HA GLY 46 2HA GLY 46 10.174 -4.533 1.164
313 HA PRO 47 HA PRO 47 7.243 -3.807 -2.488
314 1HB PRO 47 1HB PRO 47 8.679 -2.980 -4.611
315 2HB PRO 47 2HB PRO 47 8.345 -1.931 -3.199
316 1HG PRO 47 1HG PRO 47 10.875 -3.524 -3.739
317 2HG PRO 47 2HG PRO 47 10.728 -1.791 -3.291
318 1HD PRO 47 1HD PRO 47 11.179 -3.825 -1.480
319 2HD PRO 47 2HD PRO 47 10.328 -2.320 -1.060
320 H CYS 48 H CYS 48 6.629 -4.953 -4.313
321 HA CYS 48 HA CYS 48 8.010 -7.526 -4.884
322 1HB CYS 48 1HB CYS 48 5.220 -6.439 -5.414
323 2HB CYS 48 2HB CYS 48 5.807 -7.866 -6.239
324 H ASP 49 H ASP 49 6.624 -4.572 -6.404
325 HA ASP 49 HA ASP 49 7.814 -4.964 -8.898
326 1HB ASP 49 1HB ASP 49 6.519 -2.533 -7.677
327 2HB ASP 49 2HB ASP 49 6.892 -2.770 -9.387
328 H GLU 50 H GLU 50 10.031 -5.175 -8.310
329 HA GLU 50 HA GLU 50 11.534 -2.837 -8.784
330 1HB GLU 50 1HB GLU 50 11.155 -3.380 -5.979
331 2HB GLU 50 2HB GLU 50 12.822 -3.791 -6.356
332 1HG GLU 50 1HG GLU 50 13.227 -1.576 -7.295
333 2HG GLU 50 2HG GLU 50 11.521 -1.150 -7.162
334 H HIS 51 H HIS 51 14.118 -3.752 -8.395
335 HA HIS 51 HA HIS 51 14.170 -6.536 -9.420
336 1HB HIS 51 1HB HIS 51 13.844 -4.872 -11.335
337 2HB HIS 51 2HB HIS 51 15.460 -4.267 -10.977
338 HD1 HIS 51 HD1 HIS 51 13.655 -7.309 -12.413
339 HD2 HIS 51 HD2 HIS 51 17.544 -5.873 -11.683
340 HE1 HIS 51 HE1 HIS 51 15.263 -8.845 -13.698
341 H ASP 52 H ASP 52 16.121 -3.632 -8.350
342 HA ASP 52 HA ASP 52 18.092 -5.095 -7.036
343 1HB ASP 52 1HB ASP 52 19.913 -4.594 -8.582
344 2HB ASP 52 2HB ASP 52 18.713 -5.481 -9.499
345 H HIS 53 H HIS 53 19.901 -3.323 -6.565
346 HA HIS 53 HA HIS 53 19.145 -0.560 -7.079
347 1HB HIS 53 1HB HIS 53 19.581 -1.628 -4.254
348 2HB HIS 53 2HB HIS 53 20.038 0.011 -4.684
349 HD1 HIS 53 HD1 HIS 53 16.714 -1.105 -6.106
350 HD2 HIS 53 HD2 HIS 53 18.372 0.965 -2.842
351 HE1 HIS 53 HE1 HIS 53 14.787 0.167 -4.972
352 H ASP 54 H ASP 54 20.822 -1.929 -8.632
353 HA ASP 54 HA ASP 54 23.579 -1.727 -7.457
354 1HB ASP 54 1HB ASP 54 22.305 -4.143 -8.797
355 2HB ASP 54 2HB ASP 54 23.981 -4.003 -8.276
356 H PHE 55 H PHE 55 25.047 -0.984 -8.859
357 HA PHE 55 HA PHE 55 24.362 -0.640 -11.719
358 1HB PHE 55 2HB PHE 55 25.078 1.343 -10.006
359 2HB PHE 55 1HB PHE 55 26.678 0.806 -10.485
360 HD1 PHE 55 HD1 PHE 55 23.972 2.951 -11.279
361 HD2 PHE 55 HD2 PHE 55 26.980 0.506 -13.164
362 HE1 PHE 55 HE1 PHE 55 23.746 4.279 -13.359
363 HE2 PHE 55 HE2 PHE 55 26.748 1.832 -15.246
364 HZ PHE 55 HZ PHE 55 25.131 3.723 -15.350
Start of MODEL 19
1 1H PHE 1 1H PHE 1 -14.317 6.322 6.598
2 2H PHE 1 2H PHE 1 -15.402 5.671 5.538
3 3H PHE 1 3H PHE 1 -14.976 4.822 6.889
4 HA PHE 1 HA PHE 1 -12.640 4.725 5.971
5 1HB PHE 1 2HB PHE 1 -14.098 3.385 3.897
6 2HB PHE 1 1HB PHE 1 -13.114 2.770 5.224
7 HD1 PHE 1 HD1 PHE 1 -16.523 3.213 4.043
8 HD2 PHE 1 HD2 PHE 1 -14.104 2.356 7.519
9 HE1 PHE 1 HE1 PHE 1 -18.559 2.599 5.322
10 HE2 PHE 1 HE2 PHE 1 -16.152 1.771 8.788
11 HZ PHE 1 HZ PHE 1 -18.383 1.918 7.705
12 H GLN 2 H GLN 2 -11.638 6.434 5.169
13 HA GLN 2 HA GLN 2 -11.170 6.748 2.627
14 1HB GLN 2 1HB GLN 2 -13.543 8.370 3.222
15 2HB GLN 2 2HB GLN 2 -12.222 9.359 2.606
16 1HG GLN 2 1HG GLN 2 -12.206 8.387 0.529
17 2HG GLN 2 2HG GLN 2 -12.695 6.810 1.122
18 1HE2 GLN 2 1HE2 GLN 2 -14.890 6.449 1.771
19 2HE2 GLN 2 2HE2 GLN 2 -16.175 7.298 0.869
20 H GLY 3 H GLY 3 -11.592 9.673 4.565
21 1HA GLY 3 1HA GLY 3 -8.777 10.140 4.780
22 2HA GLY 3 2HA GLY 3 -10.053 11.039 5.592
23 H ASN 4 H ASN 4 -11.050 8.527 7.011
24 HA ASN 4 HA ASN 4 -9.418 8.848 9.337
25 1HB ASN 4 1HB ASN 4 -11.843 7.313 8.683
26 2HB ASN 4 2HB ASN 4 -10.754 6.399 9.722
27 1HD2 ASN 4 1HD2 ASN 4 -13.419 8.336 10.050
28 2HD2 ASN 4 2HD2 ASN 4 -12.951 9.068 11.572
29 HA PRO 5 HA PRO 5 -6.888 4.962 7.962
30 1HB PRO 5 1HB PRO 5 -7.289 4.301 5.271
31 2HB PRO 5 2HB PRO 5 -7.825 3.367 6.701
32 1HG PRO 5 1HG PRO 5 -9.331 5.173 4.886
33 2HG PRO 5 2HG PRO 5 -9.891 3.716 5.741
34 1HD PRO 5 1HD PRO 5 -10.508 6.246 6.610
35 2HD PRO 5 2HD PRO 5 -10.277 4.881 7.728
36 H CYS 6 H CYS 6 -7.688 6.911 4.948
37 HA CYS 6 HA CYS 6 -4.820 6.914 4.493
38 1HB CYS 6 1HB CYS 6 -7.078 7.837 2.724
39 2HB CYS 6 2HB CYS 6 -5.411 7.526 2.244
40 H GLU 7 H GLU 7 -4.476 8.361 6.347
41 HA GLU 7 HA GLU 7 -4.382 11.209 5.407
42 1HB GLU 7 1HB GLU 7 -5.865 10.441 7.426
43 2HB GLU 7 2HB GLU 7 -4.360 10.353 8.311
44 1HG GLU 7 1HG GLU 7 -5.497 12.462 8.725
45 2HG GLU 7 2HG GLU 7 -3.997 12.790 7.880
46 H CYS 8 H CYS 8 -2.371 8.769 5.414
47 HA CYS 8 HA CYS 8 -0.186 9.672 7.090
48 1HB CYS 8 1HB CYS 8 -0.902 7.314 5.595
49 2HB CYS 8 2HB CYS 8 0.734 7.774 5.155
50 HA PRO 9 HA PRO 9 1.969 12.320 4.432
51 1HB PRO 9 1HB PRO 9 4.628 11.945 4.955
52 2HB PRO 9 2HB PRO 9 3.480 12.534 6.186
53 1HG PRO 9 1HG PRO 9 4.563 9.739 5.801
54 2HG PRO 9 2HG PRO 9 4.313 10.636 7.323
55 1HD PRO 9 1HD PRO 9 2.571 8.760 6.244
56 2HD PRO 9 2HD PRO 9 2.080 10.007 7.407
57 H ARG 10 H ARG 10 3.586 12.630 2.711
58 HA ARG 10 HA ARG 10 3.574 10.560 0.645
59 1HB ARG 10 1HB ARG 10 4.850 13.326 0.852
60 2HB ARG 10 2HB ARG 10 4.868 12.355 -0.618
61 1HG ARG 10 1HG ARG 10 2.603 12.640 -1.057
62 2HG ARG 10 2HG ARG 10 2.194 13.052 0.619
63 1HD ARG 10 1HD ARG 10 3.422 15.156 0.457
64 2HD ARG 10 2HD ARG 10 3.904 14.787 -1.213
65 HE ARG 10 HE ARG 10 1.174 14.623 -1.282
66 1HH1 ARG 10 2HH2 ARG 10 3.428 17.141 -0.264
67 2HH1 ARG 10 1HH2 ARG 10 2.377 18.469 -0.610
68 1HH2 ARG 10 2HH1 ARG 10 -0.261 16.381 -1.780
69 2HH2 ARG 10 1HH1 ARG 10 0.231 18.011 -1.512
70 H ALA 11 H ALA 11 4.836 9.534 2.884
71 HA ALA 11 HA ALA 11 7.626 9.586 2.638
72 1HB ALA 11 1HB ALA 11 7.496 7.525 4.061
73 2HB ALA 11 2HB ALA 11 6.677 8.944 4.748
74 3HB ALA 11 3HB ALA 11 5.720 7.646 3.977
75 H LEU 12 H LEU 12 8.648 8.846 0.927
76 HA LEU 12 HA LEU 12 7.577 6.812 -0.915
77 1HB LEU 12 1HB LEU 12 10.112 8.467 -0.683
78 2HB LEU 12 2HB LEU 12 10.102 7.040 -1.660
79 HG LEU 12 HG LEU 12 9.568 9.522 -2.557
80 1HD1 LEU 12 1HD1 LEU 12 10.063 7.569 -3.952
81 2HD1 LEU 12 2HD1 LEU 12 8.410 6.954 -3.720
82 3HD1 LEU 12 3HD1 LEU 12 8.695 8.467 -4.616
83 1HD2 LEU 12 1HD2 LEU 12 7.400 9.762 -1.407
84 2HD2 LEU 12 2HD2 LEU 12 7.242 9.822 -3.166
85 3HD2 LEU 12 3HD2 LEU 12 6.774 8.353 -2.298
86 H HIS 13 H HIS 13 7.329 4.899 0.234
87 HA HIS 13 HA HIS 13 9.906 3.582 0.718
88 1HB HIS 13 1HB HIS 13 8.662 4.596 2.958
89 2HB HIS 13 2HB HIS 13 7.951 3.002 2.906
90 HD1 HIS 13 HD1 HIS 13 9.736 0.884 3.422
91 HD2 HIS 13 HD2 HIS 13 11.237 4.859 3.428
92 HE1 HIS 13 HE1 HIS 13 11.885 0.843 4.698
93 H ARG 14 H ARG 14 9.189 2.645 -1.376
94 HA ARG 14 HA ARG 14 6.532 1.772 -1.755
95 1HB ARG 14 1HB ARG 14 9.107 0.878 -3.129
96 2HB ARG 14 2HB ARG 14 7.487 0.490 -3.704
97 1HG ARG 14 1HG ARG 14 8.636 3.296 -3.446
98 2HG ARG 14 2HG ARG 14 8.430 2.376 -4.948
99 1HD ARG 14 1HD ARG 14 6.269 3.373 -3.128
100 2HD ARG 14 2HD ARG 14 6.749 4.089 -4.672
101 HE ARG 14 HE ARG 14 6.008 1.267 -4.805
102 1HH1 ARG 14 2HH2 ARG 14 4.829 4.560 -5.220
103 2HH1 ARG 14 1HH2 ARG 14 3.399 4.122 -6.087
104 1HH2 ARG 14 2HH1 ARG 14 4.189 0.647 -6.071
105 2HH2 ARG 14 1HH1 ARG 14 3.035 1.811 -6.586
106 H VAL 15 H VAL 15 5.400 -0.075 -1.262
107 HA VAL 15 HA VAL 15 6.928 -2.377 -0.192
108 HB VAL 15 HB VAL 15 5.583 -2.744 1.594
109 1HG1 VAL 15 1HG1 VAL 15 5.943 -0.897 3.031
110 2HG1 VAL 15 2HG1 VAL 15 7.220 -0.825 1.794
111 3HG1 VAL 15 3HG1 VAL 15 5.817 0.245 1.684
112 1HG2 VAL 15 1HG2 VAL 15 3.597 -1.487 2.271
113 2HG2 VAL 15 2HG2 VAL 15 3.689 -0.478 0.806
114 3HG2 VAL 15 3HG2 VAL 15 3.306 -2.214 0.718
115 H CYS 16 H CYS 16 5.574 -4.386 -0.067
116 HA CYS 16 HA CYS 16 3.574 -4.470 -2.278
117 1HB CYS 16 1HB CYS 16 5.531 -5.520 -2.823
118 2HB CYS 16 2HB CYS 16 5.724 -6.320 -1.272
119 H GLY 17 H GLY 17 1.577 -5.186 -1.939
120 1HA GLY 17 1HA GLY 17 0.822 -6.392 0.668
121 2HA GLY 17 2HA GLY 17 -0.290 -5.690 -0.501
122 H SER 18 H SER 18 -0.545 -8.265 0.497
123 HA SER 18 HA SER 18 0.584 -10.356 -0.306
124 1HB SER 18 1HB SER 18 -1.218 -11.657 0.255
125 2HB SER 18 2HB SER 18 -1.614 -10.101 0.987
126 HG SER 18 HG SER 18 -3.244 -9.835 -0.439
127 H ASP 19 H ASP 19 -1.579 -8.938 -2.630
128 HA ASP 19 HA ASP 19 -1.516 -11.020 -4.568
129 1HB ASP 19 1HB ASP 19 -2.855 -8.550 -4.194
130 2HB ASP 19 2HB ASP 19 -1.887 -8.298 -5.636
131 H GLY 20 H GLY 20 1.165 -9.313 -3.610
132 1HA GLY 20 1HA GLY 20 3.205 -8.843 -4.736
133 2HA GLY 20 2HA GLY 20 2.466 -9.182 -6.285
134 H ASN 21 H ASN 21 0.281 -7.336 -4.647
135 HA ASN 21 HA ASN 21 0.458 -5.220 -6.446
136 1HB ASN 21 1HB ASN 21 -1.572 -6.311 -5.237
137 2HB ASN 21 2HB ASN 21 -1.278 -5.148 -3.962
138 1HD2 ASN 21 1HD2 ASN 21 -3.170 -5.707 -6.626
139 2HD2 ASN 21 2HD2 ASN 21 -3.381 -4.049 -7.151
140 H THR 22 H THR 22 2.352 -3.956 -6.215
141 HA THR 22 HA THR 22 3.302 -3.129 -3.726
142 HB THR 22 HB THR 22 4.085 -2.168 -6.463
143 HG1 THR 22 HG1 THR 22 4.287 -4.454 -5.835
144 1HG2 THR 22 1HG2 THR 22 6.161 -1.387 -5.424
145 2HG2 THR 22 2HG2 THR 22 4.847 -0.623 -4.533
146 3HG2 THR 22 3HG2 THR 22 5.696 -2.023 -3.868
147 H TYR 23 H TYR 23 3.245 -1.095 -2.650
148 HA TYR 23 HA TYR 23 1.393 1.041 -3.559
149 1HB TYR 23 1HB TYR 23 1.782 -0.217 -0.799
150 2HB TYR 23 2HB TYR 23 1.006 1.323 -1.044
151 HD1 TYR 23 HD1 TYR 23 -1.318 1.490 -1.655
152 HD2 TYR 23 HD2 TYR 23 0.704 -2.318 -1.716
153 HE1 TYR 23 HE1 TYR 23 -3.497 0.337 -1.911
154 HE2 TYR 23 HE2 TYR 23 -1.443 -3.472 -2.004
155 HH TYR 23 HH TYR 23 -3.730 -3.210 -2.313
156 H SER 24 H SER 24 2.167 3.158 -3.075
157 HA SER 24 HA SER 24 4.499 4.132 -2.805
158 1HB SER 24 1HB SER 24 2.085 5.213 -1.348
159 2HB SER 24 2HB SER 24 3.425 6.134 -2.067
160 HG SER 24 HG SER 24 1.619 6.057 -3.460
161 H ASN 25 H ASN 25 2.729 2.991 0.142
162 HA ASN 25 HA ASN 25 5.069 2.637 1.648
163 1HB ASN 25 1HB ASN 25 4.493 4.251 3.523
164 2HB ASN 25 2HB ASN 25 5.184 4.935 2.092
165 1HD2 ASN 25 1HD2 ASN 25 4.370 6.861 1.732
166 2HD2 ASN 25 2HD2 ASN 25 2.773 7.427 2.212
167 HA PRO 26 HA PRO 26 2.292 -0.225 3.338
168 1HB PRO 26 1HB PRO 26 3.092 -0.692 5.925
169 2HB PRO 26 2HB PRO 26 4.040 -1.207 4.507
170 1HG PRO 26 1HG PRO 26 4.456 1.191 6.269
171 2HG PRO 26 2HG PRO 26 5.680 0.103 5.556
172 1HD PRO 26 1HD PRO 26 4.968 2.577 4.567
173 2HD PRO 26 2HD PRO 26 5.671 1.309 3.558
174 H CYS 27 H CYS 27 2.516 2.854 4.917
175 HA CYS 27 HA CYS 27 0.250 2.618 6.649
176 1HB CYS 27 1HB CYS 27 2.056 4.523 6.460
177 2HB CYS 27 2HB CYS 27 1.039 5.146 5.175
178 H MET 28 H MET 28 0.634 3.672 3.184
179 HA MET 28 HA MET 28 -2.153 4.061 2.746
180 1HB MET 28 1HB MET 28 0.296 3.624 1.030
181 2HB MET 28 2HB MET 28 -1.277 3.485 0.270
182 1HG MET 28 1HG MET 28 -0.925 5.871 2.025
183 2HG MET 28 2HG MET 28 0.094 5.828 0.585
184 1HE MET 28 1HE MET 28 -1.578 4.480 -1.707
185 2HE MET 28 2HE MET 28 -2.267 5.967 -2.395
186 3HE MET 28 3HE MET 28 -0.600 5.967 -1.773
187 H LEU 29 H LEU 29 -0.245 1.037 2.632
188 HA LEU 29 HA LEU 29 -2.289 -0.574 1.384
189 1HB LEU 29 1HB LEU 29 -0.237 -1.451 1.435
190 2HB LEU 29 2HB LEU 29 0.063 -1.152 3.164
191 HG LEU 29 HG LEU 29 -1.542 -3.227 1.964
192 1HD1 LEU 29 1HD1 LEU 29 1.215 -3.410 3.134
193 2HD1 LEU 29 2HD1 LEU 29 0.280 -4.781 2.516
194 3HD1 LEU 29 3HD1 LEU 29 0.806 -3.504 1.415
195 1HD2 LEU 29 1HD2 LEU 29 -2.440 -3.115 4.175
196 2HD2 LEU 29 2HD2 LEU 29 -1.224 -4.371 4.292
197 3HD2 LEU 29 3HD2 LEU 29 -0.831 -2.750 4.870
198 H THR 30 H THR 30 -1.345 -0.338 4.778
199 HA THR 30 HA THR 30 -3.760 -1.576 5.684
200 HB THR 30 HB THR 30 -1.658 -1.027 7.029
201 HG1 THR 30 HG1 THR 30 -2.862 -1.301 8.924
202 1HG2 THR 30 1HG2 THR 30 -3.310 1.396 7.736
203 2HG2 THR 30 2HG2 THR 30 -1.873 0.805 8.615
204 3HG2 THR 30 3HG2 THR 30 -1.728 1.324 6.926
205 H CYS 31 H CYS 31 -3.206 1.946 5.049
206 HA CYS 31 HA CYS 31 -5.566 2.819 5.929
207 1HB CYS 31 1HB CYS 31 -4.962 4.808 5.017
208 2HB CYS 31 2HB CYS 31 -3.523 4.040 4.608
209 H ALA 32 H ALA 32 -4.879 1.846 2.555
210 HA ALA 32 HA ALA 32 -7.358 1.640 1.393
211 1HB ALA 32 1HB ALA 32 -5.111 1.217 0.365
212 2HB ALA 32 2HB ALA 32 -5.126 -0.401 1.101
213 3HB ALA 32 3HB ALA 32 -6.382 0.029 -0.065
214 H LYS 33 H LYS 33 -5.724 -0.782 3.365
215 HA LYS 33 HA LYS 33 -7.560 -2.908 3.064
216 1HB LYS 33 1HB LYS 33 -5.259 -3.041 4.128
217 2HB LYS 33 2HB LYS 33 -5.988 -2.406 5.615
218 1HG LYS 33 1HG LYS 33 -7.574 -4.281 5.636
219 2HG LYS 33 2HG LYS 33 -6.924 -4.869 4.096
220 1HD LYS 33 1HD LYS 33 -4.888 -5.477 4.924
221 2HD LYS 33 2HD LYS 33 -5.045 -4.576 6.366
222 1HE LYS 33 1HE LYS 33 -6.922 -6.829 5.607
223 2HE LYS 33 2HE LYS 33 -5.447 -7.117 6.540
224 1HZ LYS 33 1HZ LYS 33 -6.410 -5.711 8.285
225 2HZ LYS 33 2HZ LYS 33 -7.763 -5.477 7.369
226 3HZ LYS 33 3HZ LYS 33 -7.416 -6.974 7.931
227 H HIS 34 H HIS 34 -7.381 -0.590 5.765
228 HA HIS 34 HA HIS 34 -9.989 -1.323 6.798
229 1HB HIS 34 1HB HIS 34 -7.713 0.278 7.628
230 2HB HIS 34 2HB HIS 34 -9.140 1.280 7.705
231 HD1 HIS 34 HD1 HIS 34 -9.701 1.262 10.239
232 HD2 HIS 34 HD2 HIS 34 -8.889 -2.535 8.612
233 HE1 HIS 34 HE1 HIS 34 -10.196 -0.453 12.076
234 H GLU 35 H GLU 35 -8.958 0.797 4.227
235 HA GLU 35 HA GLU 35 -11.301 2.485 4.442
236 1HB GLU 35 1HB GLU 35 -9.065 3.127 3.446
237 2HB GLU 35 2HB GLU 35 -9.568 2.269 2.004
238 1HG GLU 35 1HG GLU 35 -11.273 4.384 3.294
239 2HG GLU 35 2HG GLU 35 -9.895 4.873 2.330
240 H GLY 36 H GLY 36 -10.375 -0.229 2.341
241 1HA GLY 36 1HA GLY 36 -13.106 -1.169 2.107
242 2HA GLY 36 2HA GLY 36 -12.620 -0.266 0.672
243 H ASN 37 H ASN 37 -10.067 -2.134 2.330
244 HA ASN 37 HA ASN 37 -10.291 -4.168 0.140
245 1HB ASN 37 1HB ASN 37 -8.391 -2.298 -0.075
246 2HB ASN 37 2HB ASN 37 -7.592 -3.225 1.125
247 1HD2 ASN 37 1HD2 ASN 37 -6.569 -2.907 -1.531
248 2HD2 ASN 37 2HD2 ASN 37 -6.591 -4.540 -2.177
249 HA PRO 38 HA PRO 38 -10.158 -5.799 4.553
250 1HB PRO 38 1HB PRO 38 -12.130 -7.734 4.345
251 2HB PRO 38 2HB PRO 38 -12.450 -6.021 4.754
252 1HG PRO 38 1HG PRO 38 -12.589 -7.329 2.013
253 2HG PRO 38 2HG PRO 38 -13.836 -6.315 2.814
254 1HD PRO 38 1HD PRO 38 -12.137 -5.216 1.036
255 2HD PRO 38 2HD PRO 38 -12.502 -4.348 2.561
256 H ASP 39 H ASP 39 -10.025 -7.267 1.420
257 HA ASP 39 HA ASP 39 -8.954 -9.857 2.063
258 1HB ASP 39 1HB ASP 39 -10.081 -8.512 -0.114
259 2HB ASP 39 2HB ASP 39 -8.404 -8.616 -0.584
260 H LEU 40 H LEU 40 -7.560 -6.670 1.829
261 HA LEU 40 HA LEU 40 -4.903 -7.513 0.871
262 1HB LEU 40 1HB LEU 40 -5.462 -5.332 0.201
263 2HB LEU 40 2HB LEU 40 -6.262 -4.970 1.730
264 HG LEU 40 HG LEU 40 -4.275 -4.670 2.877
265 1HD1 LEU 40 1HD1 LEU 40 -2.223 -5.187 2.238
266 2HD1 LEU 40 2HD1 LEU 40 -2.974 -6.142 0.949
267 3HD1 LEU 40 3HD1 LEU 40 -2.448 -4.511 0.584
268 1HD2 LEU 40 1HD2 LEU 40 -4.495 -3.115 0.266
269 2HD2 LEU 40 2HD2 LEU 40 -5.227 -2.703 1.812
270 3HD2 LEU 40 3HD2 LEU 40 -3.474 -2.580 1.562
271 H VAL 41 H VAL 41 -3.104 -7.538 2.305
272 HA VAL 41 HA VAL 41 -3.523 -7.368 5.160
273 HB VAL 41 HB VAL 41 -2.448 -9.613 5.425
274 1HG1 VAL 41 1HG1 VAL 41 -4.428 -10.917 5.182
275 2HG1 VAL 41 2HG1 VAL 41 -4.950 -9.273 5.602
276 3HG1 VAL 41 3HG1 VAL 41 -5.085 -9.861 3.924
277 1HG2 VAL 41 1HG2 VAL 41 -1.558 -9.837 3.090
278 2HG2 VAL 41 2HG2 VAL 41 -2.492 -11.234 3.615
279 3HG2 VAL 41 3HG2 VAL 41 -3.235 -10.070 2.514
280 H GLN 42 H GLN 42 -1.542 -7.003 6.254
281 HA GLN 42 HA GLN 42 0.659 -5.982 4.627
282 1HB GLN 42 1HB GLN 42 -0.084 -4.920 6.802
283 2HB GLN 42 2HB GLN 42 0.493 -6.349 7.646
284 1HG GLN 42 1HG GLN 42 2.291 -4.841 7.808
285 2HG GLN 42 2HG GLN 42 2.797 -5.896 6.497
286 1HE2 GLN 42 1HE2 GLN 42 3.662 -4.671 4.608
287 2HE2 GLN 42 2HE2 GLN 42 3.114 -3.045 4.364
288 H VAL 43 H VAL 43 1.124 -7.931 3.461
289 HA VAL 43 HA VAL 43 2.034 -10.315 4.581
290 HB VAL 43 HB VAL 43 3.561 -10.237 2.379
291 1HG1 VAL 43 1HG1 VAL 43 0.536 -10.430 2.131
292 2HG1 VAL 43 2HG1 VAL 43 1.807 -11.171 1.095
293 3HG1 VAL 43 3HG1 VAL 43 1.601 -11.724 2.750
294 1HG2 VAL 43 1HG2 VAL 43 2.537 -8.902 0.599
295 2HG2 VAL 43 2HG2 VAL 43 1.312 -8.274 1.705
296 3HG2 VAL 43 3HG2 VAL 43 3.014 -7.820 1.911
297 H HIS 44 H HIS 44 3.838 -7.375 3.595
298 HA HIS 44 HA HIS 44 5.506 -7.321 5.818
299 1HB HIS 44 1HB HIS 44 7.590 -8.032 5.075
300 2HB HIS 44 2HB HIS 44 6.545 -9.373 4.799
301 HD1 HIS 44 HD1 HIS 44 5.611 -7.989 1.787
302 HD2 HIS 44 HD2 HIS 44 9.389 -8.970 3.372
303 HE1 HIS 44 HE1 HIS 44 7.184 -8.336 -0.198
304 H GLU 45 H GLU 45 7.670 -5.940 4.845
305 HA GLU 45 HA GLU 45 6.581 -3.497 3.616
306 1HB GLU 45 1HB GLU 45 8.323 -4.002 5.764
307 2HB GLU 45 2HB GLU 45 9.442 -3.684 4.466
308 1HG GLU 45 1HG GLU 45 7.230 -1.698 4.638
309 2HG GLU 45 2HG GLU 45 8.158 -1.830 6.117
310 H GLY 46 H GLY 46 8.660 -2.485 2.125
311 1HA GLY 46 1HA GLY 46 10.121 -2.742 0.417
312 2HA GLY 46 2HA GLY 46 10.205 -4.468 0.757
313 HA PRO 47 HA PRO 47 7.237 -3.389 -2.821
314 1HB PRO 47 1HB PRO 47 8.557 -2.567 -5.009
315 2HB PRO 47 2HB PRO 47 8.250 -1.502 -3.606
316 1HG PRO 47 1HG PRO 47 10.811 -3.001 -4.247
317 2HG PRO 47 2HG PRO 47 10.613 -1.278 -3.804
318 1HD PRO 47 1HD PRO 47 11.212 -3.261 -1.970
319 2HD PRO 47 2HD PRO 47 10.318 -1.778 -1.560
320 H CYS 48 H CYS 48 6.503 -4.795 -4.411
321 HA CYS 48 HA CYS 48 8.128 -7.247 -4.866
322 1HB CYS 48 1HB CYS 48 5.203 -6.602 -5.247
323 2HB CYS 48 2HB CYS 48 5.967 -7.969 -6.033
324 H ASP 49 H ASP 49 6.698 -4.423 -6.572
325 HA ASP 49 HA ASP 49 7.322 -5.412 -9.103
326 1HB ASP 49 1HB ASP 49 6.363 -3.556 -9.913
327 2HB ASP 49 2HB ASP 49 5.703 -3.497 -8.290
328 H GLU 50 H GLU 50 9.146 -4.958 -10.483
329 HA GLU 50 HA GLU 50 11.538 -4.873 -8.855
330 1HB GLU 50 1HB GLU 50 10.968 -6.617 -10.584
331 2HB GLU 50 2HB GLU 50 11.348 -5.429 -11.836
332 1HG GLU 50 1HG GLU 50 13.652 -5.227 -10.951
333 2HG GLU 50 2HG GLU 50 13.247 -6.260 -9.583
334 H HIS 51 H HIS 51 10.991 -2.588 -8.404
335 HA HIS 51 HA HIS 51 11.843 -0.631 -10.448
336 1HB HIS 51 1HB HIS 51 9.698 -0.382 -9.302
337 2HB HIS 51 2HB HIS 51 10.485 -0.298 -7.738
338 HD1 HIS 51 HD1 HIS 51 10.378 1.688 -11.059
339 HD2 HIS 51 HD2 HIS 51 11.073 2.142 -6.933
340 HE1 HIS 51 HE1 HIS 51 10.591 4.210 -10.618
341 H ASP 52 H ASP 52 12.333 -0.369 -6.899
342 HA ASP 52 HA ASP 52 15.079 -0.663 -6.720
343 1HB ASP 52 1HB ASP 52 14.150 2.067 -7.547
344 2HB ASP 52 2HB ASP 52 15.086 2.050 -6.065
345 H HIS 53 H HIS 53 15.651 0.271 -4.431
346 HA HIS 53 HA HIS 53 13.325 0.394 -2.633
347 1HB HIS 53 1HB HIS 53 13.634 -2.020 -3.078
348 2HB HIS 53 2HB HIS 53 15.314 -1.908 -2.553
349 HD1 HIS 53 HD1 HIS 53 15.337 -3.166 -0.299
350 HD2 HIS 53 HD2 HIS 53 12.074 -0.549 -0.755
351 HE1 HIS 53 HE1 HIS 53 14.006 -3.250 1.894
352 H ASP 54 H ASP 54 14.546 2.551 -2.808
353 HA ASP 54 HA ASP 54 16.205 2.813 -0.471
354 1HB ASP 54 1HB ASP 54 17.893 4.115 -1.531
355 2HB ASP 54 2HB ASP 54 17.801 2.568 -2.356
356 H PHE 55 H PHE 55 16.619 5.610 -0.781
357 HA PHE 55 HA PHE 55 13.866 6.526 -0.175
358 1HB PHE 55 2HB PHE 55 16.616 7.605 0.584
359 2HB PHE 55 1HB PHE 55 15.092 8.375 0.993
360 HD1 PHE 55 HD1 PHE 55 17.518 5.899 2.017
361 HD2 PHE 55 HD2 PHE 55 13.392 7.076 2.416
362 HE1 PHE 55 HE1 PHE 55 17.329 4.543 4.089
363 HE2 PHE 55 HE2 PHE 55 13.218 5.729 4.502
364 HZ PHE 55 HZ PHE 55 15.169 4.446 5.323
Start of MODEL 20
1 1H PHE 1 1H PHE 1 -15.363 6.032 3.811
2 2H PHE 1 2H PHE 1 -15.286 5.718 5.428
3 3H PHE 1 3H PHE 1 -14.481 7.035 4.789
4 HA PHE 1 HA PHE 1 -12.927 5.208 5.230
5 1HB PHE 1 2HB PHE 1 -13.756 3.616 2.988
6 2HB PHE 1 1HB PHE 1 -13.288 3.208 4.614
7 HD1 PHE 1 HD1 PHE 1 -16.045 3.554 2.310
8 HD2 PHE 1 HD2 PHE 1 -14.983 3.203 6.500
9 HE1 PHE 1 HE1 PHE 1 -18.407 3.068 2.884
10 HE2 PHE 1 HE2 PHE 1 -17.352 2.757 7.060
11 HZ PHE 1 HZ PHE 1 -19.077 2.661 5.257
12 H GLN 2 H GLN 2 -11.563 6.900 4.527
13 HA GLN 2 HA GLN 2 -10.543 6.828 1.962
14 1HB GLN 2 1HB GLN 2 -11.337 9.266 1.327
15 2HB GLN 2 2HB GLN 2 -12.208 7.807 0.823
16 1HG GLN 2 1HG GLN 2 -13.993 8.163 2.225
17 2HG GLN 2 2HG GLN 2 -13.083 9.125 3.393
18 1HE2 GLN 2 1HE2 GLN 2 -15.684 9.363 1.564
19 2HE2 GLN 2 2HE2 GLN 2 -15.544 11.063 1.135
20 H GLY 3 H GLY 3 -11.377 9.507 4.088
21 1HA GLY 3 1HA GLY 3 -8.554 10.405 4.397
22 2HA GLY 3 2HA GLY 3 -10.013 11.279 4.879
23 H ASN 4 H ASN 4 -10.849 8.675 6.216
24 HA ASN 4 HA ASN 4 -9.728 8.979 8.887
25 1HB ASN 4 1HB ASN 4 -11.197 6.460 8.489
26 2HB ASN 4 2HB ASN 4 -11.453 7.737 9.634
27 1HD2 ASN 4 1HD2 ASN 4 -13.044 6.109 7.265
28 2HD2 ASN 4 2HD2 ASN 4 -14.147 7.489 6.955
29 HA PRO 5 HA PRO 5 -7.561 4.814 7.858
30 1HB PRO 5 1HB PRO 5 -7.644 3.964 5.277
31 2HB PRO 5 2HB PRO 5 -8.750 3.403 6.539
32 1HG PRO 5 1HG PRO 5 -9.152 5.170 4.198
33 2HG PRO 5 2HG PRO 5 -10.380 4.255 5.157
34 1HD PRO 5 1HD PRO 5 -9.656 7.000 5.344
35 2HD PRO 5 2HD PRO 5 -10.845 6.149 6.307
36 H CYS 6 H CYS 6 -7.469 6.910 4.805
37 HA CYS 6 HA CYS 6 -4.519 6.744 4.825
38 1HB CYS 6 1HB CYS 6 -6.468 8.044 2.901
39 2HB CYS 6 2HB CYS 6 -4.755 8.376 2.876
40 H GLU 7 H GLU 7 -3.353 8.119 5.794
41 HA GLU 7 HA GLU 7 -3.791 10.969 5.986
42 1HB GLU 7 1HB GLU 7 -4.069 11.030 8.434
43 2HB GLU 7 2HB GLU 7 -5.415 10.301 7.618
44 1HG GLU 7 1HG GLU 7 -5.324 8.563 8.989
45 2HG GLU 7 2HG GLU 7 -3.810 8.070 8.227
46 H CYS 8 H CYS 8 -1.665 9.210 5.016
47 HA CYS 8 HA CYS 8 0.432 9.729 7.065
48 1HB CYS 8 1HB CYS 8 -0.232 7.338 5.666
49 2HB CYS 8 2HB CYS 8 1.331 7.874 5.093
50 HA PRO 9 HA PRO 9 2.392 12.404 4.244
51 1HB PRO 9 1HB PRO 9 5.109 11.821 4.554
52 2HB PRO 9 2HB PRO 9 4.116 12.755 5.700
53 1HG PRO 9 1HG PRO 9 5.141 9.996 6.004
54 2HG PRO 9 2HG PRO 9 4.596 11.172 7.252
55 1HD PRO 9 1HD PRO 9 3.167 8.969 6.085
56 2HD PRO 9 2HD PRO 9 2.570 10.135 7.321
57 H ARG 10 H ARG 10 4.065 12.431 2.406
58 HA ARG 10 HA ARG 10 3.635 10.217 0.475
59 1HB ARG 10 1HB ARG 10 4.761 13.052 0.401
60 2HB ARG 10 2HB ARG 10 5.090 11.923 -0.922
61 1HG ARG 10 1HG ARG 10 2.835 11.620 -1.473
62 2HG ARG 10 2HG ARG 10 2.256 12.466 -0.024
63 1HD ARG 10 1HD ARG 10 2.887 14.588 -0.843
64 2HD ARG 10 2HD ARG 10 4.133 13.911 -1.891
65 HE ARG 10 HE ARG 10 2.696 13.781 -3.573
66 1HH1 ARG 10 2HH2 ARG 10 0.756 13.758 -0.643
67 2HH1 ARG 10 1HH2 ARG 10 -0.784 13.682 -1.432
68 1HH2 ARG 10 2HH1 ARG 10 0.679 13.684 -4.692
69 2HH2 ARG 10 1HH1 ARG 10 -0.807 13.647 -3.823
70 H ALA 11 H ALA 11 4.988 9.278 2.685
71 HA ALA 11 HA ALA 11 7.755 9.244 2.243
72 1HB ALA 11 1HB ALA 11 6.082 7.166 3.717
73 2HB ALA 11 2HB ALA 11 7.804 7.551 3.961
74 3HB ALA 11 3HB ALA 11 6.569 8.720 4.443
75 H LEU 12 H LEU 12 8.811 8.202 0.624
76 HA LEU 12 HA LEU 12 7.405 6.378 -1.180
77 1HB LEU 12 1HB LEU 12 10.081 7.778 -1.009
78 2HB LEU 12 2HB LEU 12 9.927 6.404 -2.052
79 HG LEU 12 HG LEU 12 9.611 8.759 -2.926
80 1HD1 LEU 12 1HD1 LEU 12 7.404 7.001 -4.023
81 2HD1 LEU 12 2HD1 LEU 12 8.639 7.939 -4.870
82 3HD1 LEU 12 3HD1 LEU 12 9.070 6.413 -4.111
83 1HD2 LEU 12 1HD2 LEU 12 7.838 9.482 -1.417
84 2HD2 LEU 12 2HD2 LEU 12 7.397 9.678 -3.106
85 3HD2 LEU 12 3HD2 LEU 12 6.704 8.340 -2.160
86 H HIS 13 H HIS 13 7.147 5.201 1.033
87 HA HIS 13 HA HIS 13 9.338 3.252 1.614
88 1HB HIS 13 1HB HIS 13 6.683 3.942 2.930
89 2HB HIS 13 2HB HIS 13 7.539 2.420 3.271
90 HD1 HIS 13 HD1 HIS 13 8.039 2.953 5.750
91 HD2 HIS 13 HD2 HIS 13 9.740 5.538 2.882
92 HE1 HIS 13 HE1 HIS 13 9.780 4.377 6.966
93 H ARG 14 H ARG 14 8.809 2.962 -0.935
94 HA ARG 14 HA ARG 14 6.542 1.678 -1.843
95 1HB ARG 14 1HB ARG 14 9.450 1.194 -2.581
96 2HB ARG 14 2HB ARG 14 8.109 0.460 -3.460
97 1HG ARG 14 1HG ARG 14 8.306 3.469 -3.087
98 2HG ARG 14 2HG ARG 14 9.045 2.610 -4.456
99 1HD ARG 14 1HD ARG 14 6.116 2.459 -3.770
100 2HD ARG 14 2HD ARG 14 6.823 3.640 -4.895
101 HE ARG 14 HE ARG 14 7.443 0.830 -5.323
102 1HH1 ARG 14 2HH2 ARG 14 5.185 3.399 -6.110
103 2HH1 ARG 14 1HH2 ARG 14 4.586 2.726 -7.593
104 1HH2 ARG 14 2HH1 ARG 14 6.763 -0.080 -7.424
105 2HH2 ARG 14 1HH1 ARG 14 5.506 0.660 -8.339
106 H VAL 15 H VAL 15 5.473 -0.153 -1.395
107 HA VAL 15 HA VAL 15 6.904 -2.439 -0.136
108 HB VAL 15 HB VAL 15 5.130 -2.850 1.360
109 1HG1 VAL 15 1HG1 VAL 15 5.464 -0.018 1.911
110 2HG1 VAL 15 2HG1 VAL 15 5.787 -1.405 2.904
111 3HG1 VAL 15 3HG1 VAL 15 6.978 -0.917 1.690
112 1HG2 VAL 15 1HG2 VAL 15 3.164 -1.993 0.152
113 2HG2 VAL 15 2HG2 VAL 15 3.285 -1.253 1.734
114 3HG2 VAL 15 3HG2 VAL 15 3.804 -0.317 0.320
115 H CYS 16 H CYS 16 5.202 -4.401 0.010
116 HA CYS 16 HA CYS 16 3.582 -4.454 -2.535
117 1HB CYS 16 1HB CYS 16 5.405 -5.537 -3.136
118 2HB CYS 16 2HB CYS 16 5.816 -6.178 -1.572
119 H GLY 17 H GLY 17 1.714 -5.395 -2.453
120 1HA GLY 17 1HA GLY 17 0.627 -6.167 0.191
121 2HA GLY 17 2HA GLY 17 -0.289 -5.942 -1.301
122 H SER 18 H SER 18 -0.558 -8.187 0.322
123 HA SER 18 HA SER 18 0.467 -10.541 -0.524
124 1HB SER 18 1HB SER 18 -1.149 -11.344 0.758
125 2HB SER 18 2HB SER 18 -1.784 -9.724 0.880
126 HG SER 18 HG SER 18 -3.129 -10.308 -0.998
127 H ASP 19 H ASP 19 -1.358 -8.539 -2.570
128 HA ASP 19 HA ASP 19 -1.762 -10.515 -4.709
129 1HB ASP 19 1HB ASP 19 -2.511 -7.636 -4.152
130 2HB ASP 19 2HB ASP 19 -2.620 -8.245 -5.802
131 H GLY 20 H GLY 20 1.042 -8.906 -3.647
132 1HA GLY 20 1HA GLY 20 3.022 -8.563 -4.704
133 2HA GLY 20 2HA GLY 20 2.342 -8.990 -6.266
134 H ASN 21 H ASN 21 0.146 -6.893 -5.096
135 HA ASN 21 HA ASN 21 0.834 -4.885 -6.898
136 1HB ASN 21 1HB ASN 21 -1.514 -5.541 -5.451
137 2HB ASN 21 2HB ASN 21 -1.093 -3.913 -4.936
138 1HD2 ASN 21 1HD2 ASN 21 -2.958 -5.488 -7.199
139 2HD2 ASN 21 2HD2 ASN 21 -2.841 -4.305 -8.492
140 H THR 22 H THR 22 2.524 -3.568 -6.628
141 HA THR 22 HA THR 22 3.588 -3.105 -4.092
142 HB THR 22 HB THR 22 4.305 -1.529 -6.570
143 HG1 THR 22 HG1 THR 22 4.550 -3.814 -6.870
144 1HG2 THR 22 1HG2 THR 22 6.197 -2.215 -4.263
145 2HG2 THR 22 2HG2 THR 22 6.450 -1.089 -5.548
146 3HG2 THR 22 3HG2 THR 22 5.295 -0.713 -4.284
147 H TYR 23 H TYR 23 3.534 -1.070 -2.864
148 HA TYR 23 HA TYR 23 1.426 0.904 -3.571
149 1HB TYR 23 1HB TYR 23 2.023 -0.464 -0.954
150 2HB TYR 23 2HB TYR 23 1.174 1.053 -1.023
151 HD1 TYR 23 HD1 TYR 23 0.892 -2.546 -1.284
152 HD2 TYR 23 HD2 TYR 23 -0.925 1.170 -2.531
153 HE1 TYR 23 HE1 TYR 23 -1.259 -3.708 -1.599
154 HE2 TYR 23 HE2 TYR 23 -3.047 -0.014 -2.976
155 HH TYR 23 HH TYR 23 -4.052 -2.567 -1.690
156 H SER 24 H SER 24 2.221 2.995 -3.469
157 HA SER 24 HA SER 24 4.774 3.910 -3.348
158 1HB SER 24 1HB SER 24 2.666 5.177 -3.889
159 2HB SER 24 2HB SER 24 2.404 5.381 -2.150
160 HG SER 24 HG SER 24 4.833 6.162 -3.387
161 H ASN 25 H ASN 25 2.753 3.078 -0.573
162 HA ASN 25 HA ASN 25 4.941 2.926 1.269
163 1HB ASN 25 1HB ASN 25 3.675 4.499 2.897
164 2HB ASN 25 2HB ASN 25 4.788 5.087 1.703
165 1HD2 ASN 25 1HD2 ASN 25 3.618 7.226 2.203
166 2HD2 ASN 25 2HD2 ASN 25 2.109 7.495 1.379
167 HA PRO 26 HA PRO 26 2.122 -0.045 3.045
168 1HB PRO 26 1HB PRO 26 3.114 -0.186 5.617
169 2HB PRO 26 2HB PRO 26 3.915 -0.914 4.206
170 1HG PRO 26 1HG PRO 26 4.738 1.498 5.738
171 2HG PRO 26 2HG PRO 26 5.680 0.443 4.657
172 1HD PRO 26 1HD PRO 26 4.604 2.962 4.030
173 2HD PRO 26 2HD PRO 26 5.477 1.836 2.996
174 H CYS 27 H CYS 27 2.597 3.083 4.539
175 HA CYS 27 HA CYS 27 0.417 2.983 6.323
176 1HB CYS 27 1HB CYS 27 2.365 4.814 5.773
177 2HB CYS 27 2HB CYS 27 0.994 5.568 4.998
178 H MET 28 H MET 28 0.527 3.528 2.860
179 HA MET 28 HA MET 28 -2.291 4.319 2.601
180 1HB MET 28 1HB MET 28 -0.058 3.652 0.711
181 2HB MET 28 2HB MET 28 -1.674 3.342 0.158
182 1HG MET 28 1HG MET 28 -1.879 5.895 1.326
183 2HG MET 28 2HG MET 28 -0.352 5.924 0.473
184 1HE MET 28 1HE MET 28 -0.056 4.758 -1.672
185 2HE MET 28 2HE MET 28 -1.420 3.852 -2.367
186 3HE MET 28 3HE MET 28 -0.936 5.415 -3.068
187 H LEU 29 H LEU 29 -0.452 1.272 2.439
188 HA LEU 29 HA LEU 29 -2.471 -0.369 1.353
189 1HB LEU 29 1HB LEU 29 -0.235 -1.021 1.533
190 2HB LEU 29 2HB LEU 29 -0.298 -1.091 3.345
191 HG LEU 29 HG LEU 29 -1.936 -2.737 1.716
192 1HD1 LEU 29 1HD1 LEU 29 -0.390 -4.182 0.917
193 2HD1 LEU 29 2HD1 LEU 29 0.662 -2.814 1.008
194 3HD1 LEU 29 3HD1 LEU 29 0.703 -4.006 2.293
195 1HD2 LEU 29 1HD2 LEU 29 -2.463 -3.597 3.816
196 2HD2 LEU 29 2HD2 LEU 29 -0.845 -4.254 3.878
197 3HD2 LEU 29 3HD2 LEU 29 -1.171 -2.676 4.559
198 H THR 30 H THR 30 -1.599 -0.197 4.796
199 HA THR 30 HA THR 30 -3.823 -1.435 5.864
200 HB THR 30 HB THR 30 -1.832 -0.660 7.166
201 HG1 THR 30 HG1 THR 30 -3.037 -0.399 9.075
202 1HG2 THR 30 1HG2 THR 30 -1.967 1.678 6.320
203 2HG2 THR 30 2HG2 THR 30 -3.331 1.956 7.413
204 3HG2 THR 30 3HG2 THR 30 -1.749 1.526 8.080
205 H CYS 31 H CYS 31 -3.567 2.091 5.051
206 HA CYS 31 HA CYS 31 -5.913 2.951 5.904
207 1HB CYS 31 1HB CYS 31 -4.757 4.691 4.887
208 2HB CYS 31 2HB CYS 31 -4.174 3.722 3.575
209 H ALA 32 H ALA 32 -5.333 1.949 2.582
210 HA ALA 32 HA ALA 32 -7.818 1.629 1.526
211 1HB ALA 32 1HB ALA 32 -6.210 -0.586 0.620
212 2HB ALA 32 2HB ALA 32 -6.724 0.915 -0.200
213 3HB ALA 32 3HB ALA 32 -5.213 0.881 0.757
214 H LYS 33 H LYS 33 -5.983 -0.685 3.291
215 HA LYS 33 HA LYS 33 -7.758 -2.908 3.295
216 1HB LYS 33 1HB LYS 33 -5.327 -2.520 4.389
217 2HB LYS 33 2HB LYS 33 -6.325 -2.381 5.848
218 1HG LYS 33 1HG LYS 33 -7.466 -4.494 5.242
219 2HG LYS 33 2HG LYS 33 -6.383 -4.654 3.849
220 1HD LYS 33 1HD LYS 33 -4.583 -5.242 5.025
221 2HD LYS 33 2HD LYS 33 -4.882 -4.170 6.293
222 1HE LYS 33 1HE LYS 33 -6.947 -6.274 5.964
223 2HE LYS 33 2HE LYS 33 -5.367 -6.928 6.318
224 1HZ LYS 33 1HZ LYS 33 -6.508 -4.778 8.000
225 2HZ LYS 33 2HZ LYS 33 -6.908 -6.346 8.283
226 3HZ LYS 33 3HZ LYS 33 -5.340 -5.862 8.406
227 H HIS 34 H HIS 34 -7.524 -0.598 5.942
228 HA HIS 34 HA HIS 34 -10.077 -1.346 7.104
229 1HB HIS 34 1HB HIS 34 -7.862 0.501 7.734
230 2HB HIS 34 2HB HIS 34 -9.407 1.279 7.985
231 HD1 HIS 34 HD1 HIS 34 -7.661 0.826 10.485
232 HD2 HIS 34 HD2 HIS 34 -10.589 -1.864 9.075
233 HE1 HIS 34 HE1 HIS 34 -8.366 -0.633 12.466
234 H GLU 35 H GLU 35 -9.214 0.678 4.454
235 HA GLU 35 HA GLU 35 -11.510 2.326 4.559
236 1HB GLU 35 1HB GLU 35 -9.277 2.616 3.279
237 2HB GLU 35 2HB GLU 35 -10.021 1.718 1.987
238 1HG GLU 35 1HG GLU 35 -11.447 4.022 3.096
239 2HG GLU 35 2HG GLU 35 -10.018 4.418 2.239
240 H GLY 36 H GLY 36 -10.752 -0.241 2.280
241 1HA GLY 36 1HA GLY 36 -13.348 -1.596 2.377
242 2HA GLY 36 2HA GLY 36 -13.091 -0.594 0.919
243 H ASN 37 H ASN 37 -10.576 -2.440 2.776
244 HA ASN 37 HA ASN 37 -10.504 -4.470 0.610
245 1HB ASN 37 1HB ASN 37 -8.738 -2.321 0.428
246 2HB ASN 37 2HB ASN 37 -7.809 -3.396 1.322
247 1HD2 ASN 37 1HD2 ASN 37 -6.453 -3.228 -0.671
248 2HD2 ASN 37 2HD2 ASN 37 -6.845 -4.360 -1.974
249 HA PRO 38 HA PRO 38 -9.956 -6.025 4.990
250 1HB PRO 38 1HB PRO 38 -11.979 -7.947 4.940
251 2HB PRO 38 2HB PRO 38 -12.161 -6.278 5.518
252 1HG PRO 38 1HG PRO 38 -13.150 -7.467 2.990
253 2HG PRO 38 2HG PRO 38 -13.745 -6.054 3.893
254 1HD PRO 38 1HD PRO 38 -12.045 -6.099 1.581
255 2HD PRO 38 2HD PRO 38 -12.536 -4.669 2.527
256 H ASP 39 H ASP 39 -9.769 -7.277 1.800
257 HA ASP 39 HA ASP 39 -8.651 -9.906 2.475
258 1HB ASP 39 1HB ASP 39 -9.992 -8.751 0.307
259 2HB ASP 39 2HB ASP 39 -8.340 -8.811 -0.262
260 H LEU 40 H LEU 40 -7.473 -6.696 2.038
261 HA LEU 40 HA LEU 40 -4.866 -7.441 0.877
262 1HB LEU 40 1HB LEU 40 -5.448 -5.305 0.168
263 2HB LEU 40 2HB LEU 40 -6.344 -4.973 1.654
264 HG LEU 40 HG LEU 40 -4.301 -4.689 2.869
265 1HD1 LEU 40 1HD1 LEU 40 -2.680 -4.195 0.440
266 2HD1 LEU 40 2HD1 LEU 40 -2.273 -4.995 2.022
267 3HD1 LEU 40 3HD1 LEU 40 -3.066 -5.874 0.742
268 1HD2 LEU 40 1HD2 LEU 40 -3.938 -2.590 2.498
269 2HD2 LEU 40 2HD2 LEU 40 -4.131 -2.574 0.735
270 3HD2 LEU 40 3HD2 LEU 40 -5.534 -2.735 1.812
271 H VAL 41 H VAL 41 -2.933 -7.411 2.185
272 HA VAL 41 HA VAL 41 -3.233 -7.149 5.042
273 HB VAL 41 HB VAL 41 -2.418 -9.295 5.540
274 1HG1 VAL 41 1HG1 VAL 41 -4.859 -9.268 5.245
275 2HG1 VAL 41 2HG1 VAL 41 -4.653 -9.833 3.553
276 3HG1 VAL 41 3HG1 VAL 41 -4.134 -10.832 4.898
277 1HG2 VAL 41 1HG2 VAL 41 -1.449 -9.540 2.878
278 2HG2 VAL 41 2HG2 VAL 41 -1.228 -10.607 4.240
279 3HG2 VAL 41 3HG2 VAL 41 -2.561 -10.893 3.154
280 H GLN 42 H GLN 42 -1.066 -6.790 5.958
281 HA GLN 42 HA GLN 42 1.001 -5.808 4.109
282 1HB GLN 42 1HB GLN 42 0.439 -4.648 6.292
283 2HB GLN 42 2HB GLN 42 1.005 -6.082 7.143
284 1HG GLN 42 1HG GLN 42 2.929 -4.760 7.170
285 2HG GLN 42 2HG GLN 42 3.257 -5.734 5.764
286 1HE2 GLN 42 1HE2 GLN 42 4.142 -4.384 3.996
287 2HE2 GLN 42 2HE2 GLN 42 3.625 -2.721 3.876
288 H VAL 43 H VAL 43 1.264 -7.900 3.030
289 HA VAL 43 HA VAL 43 2.241 -10.207 4.246
290 HB VAL 43 HB VAL 43 3.479 -10.444 1.941
291 1HG1 VAL 43 1HG1 VAL 43 0.492 -10.120 1.876
292 2HG1 VAL 43 2HG1 VAL 43 1.511 -11.317 1.003
293 3HG1 VAL 43 3HG1 VAL 43 1.294 -11.444 2.730
294 1HG2 VAL 43 1HG2 VAL 43 2.686 -9.015 0.161
295 2HG2 VAL 43 2HG2 VAL 43 1.584 -8.164 1.274
296 3HG2 VAL 43 3HG2 VAL 43 3.310 -7.964 1.415
297 H HIS 44 H HIS 44 3.969 -7.308 3.088
298 HA HIS 44 HA HIS 44 5.909 -7.519 5.123
299 1HB HIS 44 1HB HIS 44 7.823 -8.031 3.956
300 2HB HIS 44 2HB HIS 44 6.726 -9.304 3.538
301 HD1 HIS 44 HD1 HIS 44 5.592 -8.871 0.845
302 HD2 HIS 44 HD2 HIS 44 9.139 -6.985 2.100
303 HE1 HIS 44 HE1 HIS 44 6.905 -8.260 -1.270
304 H GLU 45 H GLU 45 7.428 -5.685 4.929
305 HA GLU 45 HA GLU 45 6.261 -3.264 3.790
306 1HB GLU 45 1HB GLU 45 6.581 -3.337 6.240
307 2HB GLU 45 2HB GLU 45 8.342 -3.592 6.010
308 1HG GLU 45 1HG GLU 45 8.582 -1.375 5.018
309 2HG GLU 45 2HG GLU 45 6.868 -1.254 4.782
310 H GLY 46 H GLY 46 7.214 -4.566 1.759
311 1HA GLY 46 1HA GLY 46 9.662 -3.185 1.084
312 2HA GLY 46 2HA GLY 46 9.843 -4.961 1.127
313 HA PRO 47 HA PRO 47 7.378 -3.353 -2.650
314 1HB PRO 47 1HB PRO 47 9.337 -2.807 -4.505
315 2HB PRO 47 2HB PRO 47 8.541 -1.637 -3.430
316 1HG PRO 47 1HG PRO 47 11.298 -2.727 -3.246
317 2HG PRO 47 2HG PRO 47 10.643 -1.194 -2.613
318 1HD PRO 47 1HD PRO 47 11.131 -3.600 -1.193
319 2HD PRO 47 2HD PRO 47 10.295 -2.154 -0.605
320 H CYS 48 H CYS 48 6.801 -4.692 -4.390
321 HA CYS 48 HA CYS 48 8.073 -7.345 -4.451
322 1HB CYS 48 1HB CYS 48 5.298 -6.458 -5.006
323 2HB CYS 48 2HB CYS 48 5.887 -7.690 -6.077
324 H ASP 49 H ASP 49 6.712 -5.206 -6.980
325 HA ASP 49 HA ASP 49 8.094 -6.290 -9.125
326 1HB ASP 49 1HB ASP 49 6.599 -3.724 -8.608
327 2HB ASP 49 2HB ASP 49 7.640 -3.760 -10.011
328 H GLU 50 H GLU 50 8.650 -2.997 -8.042
329 HA GLU 50 HA GLU 50 11.418 -2.875 -8.927
330 1HB GLU 50 1HB GLU 50 11.336 -0.606 -8.101
331 2HB GLU 50 2HB GLU 50 9.851 -0.926 -8.998
332 1HG GLU 50 1HG GLU 50 8.578 -0.392 -7.200
333 2HG GLU 50 2HG GLU 50 9.372 -1.580 -6.219
334 H HIS 51 H HIS 51 12.929 -1.751 -7.156
335 HA HIS 51 HA HIS 51 12.782 -3.013 -4.580
336 1HB HIS 51 1HB HIS 51 13.564 -4.882 -6.001
337 2HB HIS 51 2HB HIS 51 14.938 -3.904 -6.535
338 HD1 HIS 51 HD1 HIS 51 13.483 -4.931 -3.044
339 HD2 HIS 51 HD2 HIS 51 17.049 -4.379 -5.215
340 HE1 HIS 51 HE1 HIS 51 15.408 -5.539 -1.462
341 H ASP 52 H ASP 52 12.553 -0.572 -4.374
342 HA ASP 52 HA ASP 52 14.693 1.113 -4.912
343 1HB ASP 52 1HB ASP 52 13.788 2.651 -3.484
344 2HB ASP 52 2HB ASP 52 12.372 1.716 -3.939
345 H HIS 53 H HIS 53 16.337 1.991 -3.500
346 HA HIS 53 HA HIS 53 17.218 0.475 -1.220
347 1HB HIS 53 1HB HIS 53 18.225 -0.310 -3.820
348 2HB HIS 53 2HB HIS 53 19.546 0.448 -2.958
349 HD1 HIS 53 HD1 HIS 53 17.512 -2.735 -2.993
350 HD2 HIS 53 HD2 HIS 53 20.083 -0.624 -0.411
351 HE1 HIS 53 HE1 HIS 53 18.422 -4.427 -1.338
352 H ASP 54 H ASP 54 16.242 2.962 -1.271
353 HA ASP 54 HA ASP 54 18.302 5.038 -1.546
354 1HB ASP 54 1HB ASP 54 15.446 4.963 -0.554
355 2HB ASP 54 2HB ASP 54 16.508 6.262 -0.021
356 H PHE 55 H PHE 55 19.057 6.346 0.396
357 HA PHE 55 HA PHE 55 19.009 5.224 3.008
358 1HB PHE 55 2HB PHE 55 21.449 4.745 3.126
359 2HB PHE 55 1HB PHE 55 20.540 3.597 2.163
360 HD1 PHE 55 HD1 PHE 55 20.742 3.547 -0.305
361 HD2 PHE 55 HD2 PHE 55 23.143 6.197 2.081
362 HE1 PHE 55 HE1 PHE 55 22.154 4.019 -2.283
363 HE2 PHE 55 HE2 PHE 55 24.636 6.600 0.137
364 HZ PHE 55 HZ PHE 55 24.141 5.525 -2.063