Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
12258 | 1spw RC | 6263 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 1H MET 1 HN MET 1 1.884 0.000 0.829
2 HA MET 1 HA MET 1 2.057 -1.032 -1.597
3 1HB MET 1 1HB MET 1 0.343 1.047 -1.997
4 2HB MET 1 2HB MET 1 1.845 1.933 -2.176
5 1HG MET 1 1HG MET 1 2.584 0.449 -3.984
6 2HG MET 1 2HG MET 1 1.231 -0.632 -3.718
7 1HE MET 1 1HE MET 1 -0.481 0.132 -6.534
8 2HE MET 1 2HE MET 1 1.087 0.810 -7.033
9 3HE MET 1 3HE MET 1 1.032 -0.619 -5.973
10 H ASP 2 HN ASP 2 2.884 2.228 -0.199
11 HA ASP 2 HA ASP 2 5.336 1.643 0.679
12 1HB ASP 2 1HB ASP 2 6.775 2.655 -1.241
13 2HB ASP 2 2HB ASP 2 6.259 0.988 -1.394
14 HD2 ASP 2 HD2 ASP 2 4.908 4.123 -3.203
15 H ILE 3 HN ILE 3 3.500 3.343 1.618
16 HA ILE 3 HA ILE 3 4.714 5.942 1.258
17 HB ILE 3 HB ILE 3 1.838 5.360 0.579
18 1HG1 ILE 3 2HG1 ILE 3 3.481 5.169 -1.245
19 2HG1 ILE 3 3HG1 ILE 3 2.347 6.480 -1.502
20 1HG2 ILE 3 1HG2 ILE 3 1.540 7.195 1.960
21 2HG2 ILE 3 2HG2 ILE 3 3.106 7.918 1.520
22 3HG2 ILE 3 3HG2 ILE 3 1.755 7.946 0.361
23 1HD1 ILE 3 1HD1 ILE 3 5.229 6.697 -0.538
24 2HD1 ILE 3 2HD1 ILE 3 4.532 7.343 -2.043
25 3HD1 ILE 3 3HD1 ILE 3 4.084 8.058 -0.476
26 H TYR 4 HN TYR 4 4.538 7.219 3.053
27 HA TYR 4 HA TYR 4 3.116 6.010 5.377
28 1HB TYR 4 1HB TYR 4 5.917 7.102 5.120
29 2HB TYR 4 2HB TYR 4 5.077 7.120 6.680
30 HD1 TYR 4 HD1 TYR 4 4.079 4.849 7.489
31 HD2 TYR 4 HD2 TYR 4 7.107 5.208 4.463
32 HE1 TYR 4 HE1 TYR 4 4.745 2.491 7.875
33 HE2 TYR 4 HE2 TYR 4 7.772 2.850 4.849
34 HH TYR 4 HH TYR 4 7.487 1.138 7.091
35 H VAL 5 HN VAL 5 1.318 7.530 4.717
36 HA VAL 5 HA VAL 5 1.990 10.336 5.047
37 HB VAL 5 HB VAL 5 -0.500 8.846 4.214
38 1HG1 VAL 5 1HG1 VAL 5 -0.410 11.375 5.448
39 2HG1 VAL 5 2HG1 VAL 5 -0.606 11.695 3.708
40 3HG1 VAL 5 3HG1 VAL 5 -1.770 10.649 4.557
41 1HG2 VAL 5 1HG2 VAL 5 1.104 10.827 2.591
42 2HG2 VAL 5 2HG2 VAL 5 1.527 9.099 2.649
43 3HG2 VAL 5 3HG2 VAL 5 -0.064 9.606 2.031
44 H CYS 6 HN CYS 6 1.935 11.284 7.012
45 HA CYS 6 HA CYS 6 1.269 10.000 9.315
46 1HB CYS 6 1HB CYS 6 2.527 12.185 8.983
47 2HB CYS 6 2HB CYS 6 0.965 12.977 8.922
48 H THR 7 HN THR 7 -0.633 10.000 10.682
49 HA THR 7 HA THR 7 -3.101 10.592 9.191
50 HB THR 7 HB THR 7 -4.081 8.813 10.625
51 HG1 THR 7 HG1 THR 7 -2.613 9.345 12.454
52 1HG2 THR 7 1HG2 THR 7 -2.818 6.878 9.856
53 2HG2 THR 7 2HG2 THR 7 -2.714 8.099 8.565
54 3HG2 THR 7 3HG2 THR 7 -1.339 7.851 9.668
55 H VAL 8 HN VAL 8 -1.297 12.453 10.844
56 HA VAL 8 HA VAL 8 -3.383 13.234 12.762
57 HB VAL 8 HB VAL 8 -0.382 13.386 12.845
58 1HG1 VAL 8 1HG1 VAL 8 -2.235 15.406 13.796
59 2HG1 VAL 8 2HG1 VAL 8 -1.340 14.672 15.149
60 3HG1 VAL 8 3HG1 VAL 8 -0.455 15.408 13.791
61 1HG2 VAL 8 1HG2 VAL 8 -0.750 12.426 15.115
62 2HG2 VAL 8 2HG2 VAL 8 -2.497 12.372 14.773
63 3HG2 VAL 8 3HG2 VAL 8 -1.369 11.393 13.804
64 H CYS 9 HN CYS 9 -0.780 14.458 10.548
65 HA CYS 9 HA CYS 9 -2.379 16.893 10.274
66 1HB CYS 9 1HB CYS 9 -0.117 17.675 9.180
67 2HB CYS 9 2HB CYS 9 -0.374 17.723 10.913
68 H GLY 10 HN GLY 10 -1.200 13.962 8.769
69 1HA GLY 10 HA1 GLY 10 -1.997 13.081 6.795
70 2HA GLY 10 HA2 GLY 10 -2.579 14.657 6.300
71 H TYR 11 HN TYR 11 0.631 14.386 7.628
72 HA TYR 11 HA TYR 11 1.937 15.610 5.476
73 1HB TYR 11 1HB TYR 11 2.722 15.199 7.880
74 2HB TYR 11 2HB TYR 11 3.203 13.584 7.335
75 HD1 TYR 11 HD1 TYR 11 5.535 13.567 7.339
76 HD2 TYR 11 HD2 TYR 11 3.455 16.898 5.598
77 HE1 TYR 11 HE1 TYR 11 7.689 14.484 6.521
78 HE2 TYR 11 HE2 TYR 11 5.609 17.815 4.780
79 HH TYR 11 HH TYR 11 7.959 16.924 4.211
80 H GLU 12 HN GLU 12 3.641 14.619 3.982
81 HA GLU 12 HA GLU 12 2.783 11.936 3.226
82 1HB GLU 12 1HB GLU 12 2.530 14.337 1.706
83 2HB GLU 12 2HB GLU 12 3.821 13.421 0.954
84 1HG GLU 12 1HG GLU 12 2.249 11.373 1.049
85 2HG GLU 12 2HG GLU 12 0.971 12.485 1.496
86 HE2 GLU 12 HE2 GLU 12 -0.104 12.403 -0.892
87 H TYR 13 HN TYR 13 4.368 10.482 3.088
88 HA TYR 13 HA TYR 13 7.150 11.394 2.644
89 1HB TYR 13 1HB TYR 13 6.841 11.300 5.074
90 2HB TYR 13 2HB TYR 13 6.213 9.648 4.945
91 HD1 TYR 13 HD1 TYR 13 7.734 7.796 4.201
92 HD2 TYR 13 HD2 TYR 13 9.181 11.739 5.103
93 HE1 TYR 13 HE1 TYR 13 10.038 6.903 4.409
94 HE2 TYR 13 HE2 TYR 13 11.485 10.845 5.311
95 HH TYR 13 HH TYR 13 12.850 8.953 4.714
96 H ASP 14 HN ASP 14 8.543 9.725 1.729
97 HA ASP 14 HA ASP 14 6.967 7.449 0.811
98 1HB ASP 14 1HB ASP 14 8.113 9.369 -0.768
99 2HB ASP 14 2HB ASP 14 9.460 8.254 -0.648
100 HD2 ASP 14 HD2 ASP 14 6.204 8.515 -1.581
101 HA PRO 15 HA PRO 15 10.117 5.068 2.887
102 1HB PRO 15 1HB PRO 15 9.407 2.591 1.990
103 2HB PRO 15 2HB PRO 15 8.349 3.546 3.079
104 1HG PRO 15 1HG PRO 15 8.210 3.195 0.204
105 2HG PRO 15 2HG PRO 15 6.827 3.186 1.347
106 1HD PRO 15 HD2 PRO 15 7.534 5.369 -0.234
107 2HD PRO 15 HD3 PRO 15 6.734 5.534 1.358
108 H ALA 16 HN ALA 16 11.682 6.345 1.283
109 HA ALA 16 HA ALA 16 12.959 4.280 -0.341
110 1HB ALA 16 1HB ALA 16 13.296 5.918 -2.165
111 2HB ALA 16 2HB ALA 16 11.566 5.614 -1.875
112 3HB ALA 16 3HB ALA 16 12.320 7.109 -1.272
113 H PHE 17 HN PHE 17 13.556 5.124 2.330
114 HA PHE 17 HA PHE 17 15.856 6.887 1.937
115 1HB PHE 17 1HB PHE 17 15.721 6.786 4.545
116 2HB PHE 17 2HB PHE 17 14.386 7.586 3.739
117 HD1 PHE 17 HD1 PHE 17 15.417 4.602 5.590
118 HD2 PHE 17 HD2 PHE 17 12.180 6.577 3.683
119 HE1 PHE 17 HE1 PHE 17 13.802 3.049 6.722
120 HE2 PHE 17 HE2 PHE 17 10.566 5.024 4.815
121 HZ PHE 17 HZ PHE 17 11.396 3.279 6.321
122 H GLU 18 HN GLU 18 17.489 6.154 4.040
123 HA GLU 18 HA GLU 18 17.968 3.320 3.623
124 1HB GLU 18 1HB GLU 18 19.410 4.838 2.100
125 2HB GLU 18 2HB GLU 18 20.227 5.355 3.562
126 1HG GLU 18 1HG GLU 18 20.192 2.558 3.806
127 2HG GLU 18 2HG GLU 18 20.456 2.805 2.092
128 HE2 GLU 18 HE2 GLU 18 22.083 4.495 1.675
129 H ASP 19 HN ASP 19 18.744 6.339 5.450
130 HA ASP 19 HA ASP 19 19.409 4.651 7.719
131 1HB ASP 19 1HB ASP 19 20.815 6.732 6.724
132 2HB ASP 19 2HB ASP 19 19.732 7.649 7.751
133 HD2 ASP 19 HD2 ASP 19 21.973 8.057 8.830
134 H LEU 20 HN LEU 20 17.325 4.194 8.609
135 HA LEU 20 HA LEU 20 15.717 6.559 9.285
136 1HB LEU 20 1HB LEU 20 14.968 4.517 7.662
137 2HB LEU 20 2HB LEU 20 14.420 3.908 9.212
138 HG LEU 20 HG LEU 20 12.745 5.213 7.814
139 1HD1 LEU 20 1HD1 LEU 20 11.711 5.135 9.777
140 2HD1 LEU 20 2HD1 LEU 20 13.253 5.248 10.661
141 3HD1 LEU 20 3HD1 LEU 20 12.411 6.730 10.148
142 1HD2 LEU 20 1HD2 LEU 20 12.955 7.413 7.367
143 2HD2 LEU 20 2HD2 LEU 20 13.785 7.762 8.902
144 3HD2 LEU 20 3HD2 LEU 20 14.692 7.066 7.538
145 HA PRO 21 HA PRO 21 17.649 5.247 13.208
146 1HB PRO 21 1HB PRO 21 16.192 7.823 13.866
147 2HB PRO 21 2HB PRO 21 17.844 7.272 14.297
148 1HG PRO 21 1HG PRO 21 17.526 9.084 12.260
149 2HG PRO 21 2HG PRO 21 18.709 7.744 12.407
150 1HD PRO 21 HD2 PRO 21 16.141 7.939 10.773
151 2HD PRO 21 HD3 PRO 21 17.713 7.211 10.322
152 H ASP 22 HN ASP 22 16.482 5.178 15.517
153 HA ASP 22 HA ASP 22 13.827 4.149 14.945
154 1HB ASP 22 1HB ASP 22 14.225 3.227 17.409
155 2HB ASP 22 2HB ASP 22 14.946 2.421 16.030
156 HD2 ASP 22 HD2 ASP 22 15.911 4.963 18.351
157 H ASP 23 HN ASP 23 13.598 6.801 14.962
158 HA ASP 23 HA ASP 23 11.990 7.413 17.069
159 1HB ASP 23 1HB ASP 23 13.829 7.536 18.595
160 2HB ASP 23 2HB ASP 23 14.867 8.316 17.419
161 HD2 ASP 23 HD2 ASP 23 14.897 9.842 19.611
162 H TRP 24 HN TRP 24 11.177 7.967 14.764
163 HA TRP 24 HA TRP 24 12.231 10.557 13.866
164 1HB TRP 24 1HB TRP 24 12.174 8.441 12.356
165 2HB TRP 24 2HB TRP 24 10.456 8.768 12.234
166 HD1 TRP 24 HD1 TRP 24 13.642 11.027 11.837
167 HE1 TRP 24 HE1 TRP 24 13.410 12.567 9.706
168 HE3 TRP 24 HE3 TRP 24 9.047 9.335 10.466
169 HZ2 TRP 24 HZ2 TRP 24 11.377 12.896 7.731
170 HZ3 TRP 24 HZ3 TRP 24 8.009 10.318 8.424
171 HH2 TRP 24 HH2 TRP 24 9.098 12.039 7.073
172 H ALA 25 HN ALA 25 10.903 12.341 14.034
173 HA ALA 25 HA ALA 25 8.105 11.803 14.764
174 1HB ALA 25 1HB ALA 25 9.529 14.282 15.685
175 2HB ALA 25 2HB ALA 25 8.214 13.368 16.462
176 3HB ALA 25 3HB ALA 25 9.881 12.748 16.516
177 H CYS 26 HN CYS 26 6.530 13.026 13.710
178 HA CYS 26 HA CYS 26 7.037 13.908 11.193
179 1HB CYS 26 1HB CYS 26 4.813 13.479 12.526
180 2HB CYS 26 2HB CYS 26 4.866 15.209 12.797
181 HA PRO 27 HA PRO 27 9.040 17.806 11.927
182 1HB PRO 27 1HB PRO 27 9.352 18.556 9.333
183 2HB PRO 27 2HB PRO 27 10.208 17.131 10.007
184 1HG PRO 27 1HG PRO 27 7.641 17.243 8.391
185 2HG PRO 27 2HG PRO 27 9.043 16.144 8.177
186 1HD PRO 27 HD2 PRO 27 6.690 15.485 9.551
187 2HD PRO 27 HD3 PRO 27 8.280 14.736 9.887
188 H VAL 28 HN VAL 28 5.876 17.432 11.738
189 HA VAL 28 HA VAL 28 5.430 20.277 11.205
190 HB VAL 28 HB VAL 28 3.399 18.214 10.424
191 1HG1 VAL 28 1HG1 VAL 28 2.767 20.015 8.801
192 2HG1 VAL 28 2HG1 VAL 28 2.620 20.491 10.510
193 3HG1 VAL 28 3HG1 VAL 28 4.005 21.055 9.545
194 1HG2 VAL 28 1HG2 VAL 28 5.088 17.372 9.088
195 2HG2 VAL 28 2HG2 VAL 28 4.399 18.624 8.026
196 3HG2 VAL 28 3HG2 VAL 28 5.899 18.948 8.928
197 H CYS 29 HN CYS 29 3.428 17.413 12.194
198 HA CYS 29 HA CYS 29 2.188 18.916 14.232
199 1HB CYS 29 1HB CYS 29 1.141 16.787 14.864
200 2HB CYS 29 2HB CYS 29 0.982 17.152 13.157
201 H GLY 30 HN GLY 30 5.004 16.742 13.963
202 1HA GLY 30 HA1 GLY 30 6.797 16.725 15.414
203 2HA GLY 30 HA2 GLY 30 5.832 17.508 16.650
204 H ALA 31 HN ALA 31 3.639 15.332 15.724
205 HA ALA 31 HA ALA 31 3.943 13.675 17.918
206 1HB ALA 31 1HB ALA 31 2.444 13.333 15.292
207 2HB ALA 31 2HB ALA 31 2.244 12.256 16.695
208 3HB ALA 31 3HB ALA 31 1.811 13.978 16.826
209 H SER 32 HN SER 32 4.330 11.276 17.925
210 HA SER 32 HA SER 32 6.826 10.773 16.771
211 1HB SER 32 1HB SER 32 6.358 8.393 17.654
212 2HB SER 32 2HB SER 32 6.387 9.689 18.833
213 HG SER 32 HG SER 32 4.506 8.035 18.793
214 H LYS 33 HN LYS 33 7.254 8.683 15.427
215 HA LYS 33 HA LYS 33 5.471 8.788 13.151
216 1HB LYS 33 1HB LYS 33 7.227 7.564 11.999
217 2HB LYS 33 2HB LYS 33 7.889 8.969 12.811
218 1HG LYS 33 1HG LYS 33 9.383 7.581 13.807
219 2HG LYS 33 2HG LYS 33 8.056 6.946 14.760
220 1HD LYS 33 HD2 LYS 33 7.828 5.652 12.244
221 2HD LYS 33 HD3 LYS 33 9.546 5.667 12.587
222 1HE LYS 33 2HE LYS 33 9.315 4.381 14.547
223 2HE LYS 33 3HE LYS 33 7.655 4.878 14.807
224 1HZ LYS 33 HZ1 LYS 33 7.355 2.773 13.952
225 2HZ LYS 33 HZ2 LYS 33 7.310 3.595 12.548
226 H ASP 34 HN ASP 34 4.084 7.782 15.307
227 HA ASP 34 HA ASP 34 4.192 4.906 14.885
228 1HB ASP 34 1HB ASP 34 2.772 4.814 16.974
229 2HB ASP 34 2HB ASP 34 4.365 5.499 17.228
230 HD2 ASP 34 HD2 ASP 34 2.699 6.934 19.266
231 H ALA 35 HN ALA 35 2.241 7.891 14.700
232 HA ALA 35 HA ALA 35 -0.219 6.518 14.164
233 1HB ALA 35 1HB ALA 35 0.753 9.288 14.555
234 2HB ALA 35 2HB ALA 35 -0.584 9.129 13.390
235 3HB ALA 35 3HB ALA 35 -0.779 8.530 15.055
236 H PHE 36 HN PHE 36 2.622 6.858 12.440
237 HA PHE 36 HA PHE 36 1.486 7.541 9.903
238 1HB PHE 36 1HB PHE 36 4.135 6.516 11.036
239 2HB PHE 36 2HB PHE 36 3.909 6.562 9.299
240 HD1 PHE 36 HD1 PHE 36 3.128 8.907 12.110
241 HD2 PHE 36 HD2 PHE 36 4.973 8.349 8.329
242 HE1 PHE 36 HE1 PHE 36 3.809 11.323 12.085
243 HE2 PHE 36 HE2 PHE 36 5.654 10.765 8.304
244 HZ PHE 36 HZ PHE 36 5.064 12.223 10.183
245 H GLU 37 HN GLU 37 0.801 6.180 8.269
246 HA GLU 37 HA GLU 37 1.534 3.464 8.243
247 1HB GLU 37 1HB GLU 37 -0.447 3.836 10.038
248 2HB GLU 37 2HB GLU 37 -1.438 3.745 8.596
249 1HG GLU 37 1HG GLU 37 -0.907 1.516 8.188
250 2HG GLU 37 2HG GLU 37 0.700 1.656 8.873
251 HE2 GLU 37 HE2 GLU 37 -1.461 -0.407 10.026
252 H LYS 38 HN LYS 38 0.795 2.389 6.263
253 HA LYS 38 HA LYS 38 0.835 3.868 4.033
254 1HB LYS 38 1HB LYS 38 0.971 1.396 4.167
255 2HB LYS 38 2HB LYS 38 -0.762 1.318 4.417
256 1HG LYS 38 1HG LYS 38 -0.657 2.902 2.166
257 2HG LYS 38 2HG LYS 38 0.770 1.914 1.924
258 1HD LYS 38 HD2 LYS 38 -0.696 0.401 1.028
259 2HD LYS 38 HD3 LYS 38 -1.024 -0.018 2.698
260 1HE LYS 38 2HE LYS 38 -2.863 1.756 2.701
261 2HE LYS 38 3HE LYS 38 -2.595 1.961 0.981
262 1HZ LYS 38 HZ1 LYS 38 -3.776 -0.319 2.376
263 2HZ LYS 38 HZ2 LYS 38 -4.190 0.331 0.941
264 H GLN 39 HN GLN 39 -0.564 5.032 2.712
265 HA GLN 39 HA GLN 39 -3.348 5.016 3.295
266 1HB GLN 39 1HB GLN 39 -1.749 6.886 4.700
267 2HB GLN 39 2HB GLN 39 -2.499 7.810 3.414
268 1HG GLN 39 1HG GLN 39 -4.130 5.908 5.142
269 2HG GLN 39 2HG GLN 39 -3.804 7.550 5.661
270 1HE2 GLN 39 1HE2 GLN 39 -5.657 5.498 3.676
271 2HE2 GLN 39 2HE2 GLN 39 -6.623 6.682 2.861
Start of MODEL 2
1 1H MET 1 HN MET 1 1.759 2.799 -4.577
2 HA MET 1 HA MET 1 2.784 0.935 -3.447
3 1HB MET 1 1HB MET 1 4.183 2.874 -5.213
4 2HB MET 1 2HB MET 1 5.302 1.873 -4.308
5 1HG MET 1 1HG MET 1 3.593 -0.078 -5.104
6 2HG MET 1 2HG MET 1 3.290 1.064 -6.398
7 1HE MET 1 1HE MET 1 4.476 -1.851 -6.366
8 2HE MET 1 2HE MET 1 6.192 -1.982 -6.822
9 3HE MET 1 3HE MET 1 5.742 -1.701 -5.123
10 H ASP 2 HN ASP 2 2.825 0.867 -1.175
11 HA ASP 2 HA ASP 2 3.577 1.113 0.847
12 1HB ASP 2 1HB ASP 2 6.261 1.644 -0.514
13 2HB ASP 2 2HB ASP 2 6.057 1.183 1.164
14 HD2 ASP 2 HD2 ASP 2 5.071 -2.012 0.518
15 H ILE 3 HN ILE 3 2.635 3.045 1.657
16 HA ILE 3 HA ILE 3 4.372 5.379 1.618
17 HB ILE 3 HB ILE 3 1.512 5.349 0.663
18 1HG1 ILE 3 2HG1 ILE 3 3.385 4.806 -0.952
19 2HG1 ILE 3 3HG1 ILE 3 2.338 6.140 -1.398
20 1HG2 ILE 3 1HG2 ILE 3 3.162 7.840 1.061
21 2HG2 ILE 3 2HG2 ILE 3 1.414 7.685 0.763
22 3HG2 ILE 3 3HG2 ILE 3 2.096 7.201 2.335
23 1HD1 ILE 3 1HD1 ILE 3 4.898 6.495 -1.636
24 2HD1 ILE 3 2HD1 ILE 3 3.969 7.781 -0.830
25 3HD1 ILE 3 3HD1 ILE 3 4.915 6.625 0.139
26 H TYR 4 HN TYR 4 4.267 6.578 3.453
27 HA TYR 4 HA TYR 4 2.439 5.552 5.574
28 1HB TYR 4 1HB TYR 4 5.322 6.479 5.713
29 2HB TYR 4 2HB TYR 4 4.296 6.260 7.141
30 HD1 TYR 4 HD1 TYR 4 3.498 4.001 7.779
31 HD2 TYR 4 HD2 TYR 4 6.253 4.602 4.538
32 HE1 TYR 4 HE1 TYR 4 4.088 1.593 7.834
33 HE2 TYR 4 HE2 TYR 4 6.842 2.193 4.593
34 HH TYR 4 HH TYR 4 5.586 -0.051 5.442
35 H VAL 5 HN VAL 5 0.844 7.233 4.955
36 HA VAL 5 HA VAL 5 1.771 9.965 5.238
37 HB VAL 5 HB VAL 5 -0.953 8.807 4.614
38 1HG1 VAL 5 1HG1 VAL 5 -1.773 10.918 4.322
39 2HG1 VAL 5 2HG1 VAL 5 -0.562 11.274 5.577
40 3HG1 VAL 5 3HG1 VAL 5 -0.191 11.594 3.866
41 1HG2 VAL 5 1HG2 VAL 5 -0.076 8.330 2.612
42 2HG2 VAL 5 2HG2 VAL 5 0.046 10.085 2.346
43 3HG2 VAL 5 3HG2 VAL 5 1.439 9.184 2.989
44 H CYS 6 HN CYS 6 1.831 10.970 7.175
45 HA CYS 6 HA CYS 6 1.142 9.825 9.529
46 1HB CYS 6 1HB CYS 6 2.526 11.870 9.194
47 2HB CYS 6 2HB CYS 6 1.056 12.790 8.937
48 H THR 7 HN THR 7 -0.713 10.044 10.974
49 HA THR 7 HA THR 7 -3.193 10.652 9.509
50 HB THR 7 HB THR 7 -4.172 9.076 11.281
51 HG1 THR 7 HG1 THR 7 -2.325 9.395 12.756
52 1HG2 THR 7 1HG2 THR 7 -2.894 6.983 10.422
53 2HG2 THR 7 2HG2 THR 7 -3.703 7.973 9.184
54 3HG2 THR 7 3HG2 THR 7 -1.945 8.114 9.426
55 H VAL 8 HN VAL 8 -1.203 12.456 11.086
56 HA VAL 8 HA VAL 8 -3.213 13.480 12.970
57 HB VAL 8 HB VAL 8 -0.203 13.514 12.965
58 1HG1 VAL 8 1HG1 VAL 8 -1.972 15.147 14.814
59 2HG1 VAL 8 2HG1 VAL 8 -0.192 15.089 14.787
60 3HG1 VAL 8 3HG1 VAL 8 -1.080 15.816 13.426
61 1HG2 VAL 8 1HG2 VAL 8 -0.895 11.614 14.097
62 2HG2 VAL 8 2HG2 VAL 8 -0.776 12.797 15.422
63 3HG2 VAL 8 3HG2 VAL 8 -2.365 12.394 14.730
64 H CYS 9 HN CYS 9 -0.605 14.441 10.635
65 HA CYS 9 HA CYS 9 -2.077 16.941 10.264
66 1HB CYS 9 1HB CYS 9 0.104 17.677 9.159
67 2HB CYS 9 2HB CYS 9 0.062 17.541 10.905
68 H GLY 10 HN GLY 10 -0.996 13.898 8.857
69 1HA GLY 10 HA1 GLY 10 -1.974 12.958 6.970
70 2HA GLY 10 HA2 GLY 10 -2.432 14.546 6.390
71 H TYR 11 HN TYR 11 0.743 14.374 7.676
72 HA TYR 11 HA TYR 11 2.063 15.220 5.373
73 1HB TYR 11 1HB TYR 11 2.934 15.240 7.716
74 2HB TYR 11 2HB TYR 11 3.188 13.490 7.601
75 HD1 TYR 11 HD1 TYR 11 5.473 13.087 7.556
76 HD2 TYR 11 HD2 TYR 11 3.863 16.279 5.176
77 HE1 TYR 11 HE1 TYR 11 7.712 13.476 6.564
78 HE2 TYR 11 HE2 TYR 11 6.102 16.669 4.183
79 HH TYR 11 HH TYR 11 8.972 15.421 5.424
80 H GLU 12 HN GLU 12 3.821 13.942 4.112
81 HA GLU 12 HA GLU 12 2.866 11.220 3.706
82 1HB GLU 12 1HB GLU 12 2.949 13.452 1.788
83 2HB GLU 12 2HB GLU 12 3.822 12.049 1.202
84 1HG GLU 12 1HG GLU 12 1.836 10.611 1.626
85 2HG GLU 12 2HG GLU 12 0.961 11.983 2.276
86 HE2 GLU 12 HE2 GLU 12 -0.414 12.870 -0.145
87 H TYR 13 HN TYR 13 4.423 9.751 3.869
88 HA TYR 13 HA TYR 13 7.244 10.689 3.838
89 1HB TYR 13 1HB TYR 13 6.545 9.677 5.921
90 2HB TYR 13 2HB TYR 13 5.887 8.270 5.068
91 HD1 TYR 13 HD1 TYR 13 7.172 6.348 4.983
92 HD2 TYR 13 HD2 TYR 13 9.127 10.149 5.414
93 HE1 TYR 13 HE1 TYR 13 9.361 5.199 5.188
94 HE2 TYR 13 HE2 TYR 13 11.316 9.000 5.619
95 HH TYR 13 HH TYR 13 11.613 5.439 5.453
96 H ASP 14 HN ASP 14 8.882 9.032 2.941
97 HA ASP 14 HA ASP 14 7.626 7.492 0.819
98 1HB ASP 14 1HB ASP 14 8.746 9.798 0.155
99 2HB ASP 14 2HB ASP 14 10.258 8.943 0.395
100 HD2 ASP 14 HD2 ASP 14 10.425 7.481 -2.409
101 HA PRO 15 HA PRO 15 9.924 4.509 3.401
102 1HB PRO 15 1HB PRO 15 9.285 3.074 0.781
103 2HB PRO 15 2HB PRO 15 9.264 2.468 2.470
104 1HG PRO 15 1HG PRO 15 7.021 3.334 1.261
105 2HG PRO 15 2HG PRO 15 7.140 3.641 3.025
106 1HD PRO 15 HD2 PRO 15 7.299 5.535 0.726
107 2HD PRO 15 HD3 PRO 15 7.073 5.891 2.466
108 H ALA 16 HN ALA 16 12.165 4.228 3.473
109 HA ALA 16 HA ALA 16 14.241 3.900 2.697
110 1HB ALA 16 1HB ALA 16 12.954 2.914 0.617
111 2HB ALA 16 2HB ALA 16 13.436 4.442 -0.159
112 3HB ALA 16 3HB ALA 16 14.678 3.336 0.477
113 H PHE 17 HN PHE 17 14.266 5.991 3.958
114 HA PHE 17 HA PHE 17 14.432 8.351 2.273
115 1HB PHE 17 1HB PHE 17 13.212 8.189 4.542
116 2HB PHE 17 2HB PHE 17 14.766 7.907 5.301
117 HD1 PHE 17 HD1 PHE 17 16.598 9.764 4.689
118 HD2 PHE 17 HD2 PHE 17 12.396 10.342 4.562
119 HE1 PHE 17 HE1 PHE 17 16.932 12.240 4.928
120 HE2 PHE 17 HE2 PHE 17 12.730 12.819 4.801
121 HZ PHE 17 HZ PHE 17 14.993 13.738 4.981
122 H GLU 18 HN GLU 18 16.416 6.925 4.976
123 HA GLU 18 HA GLU 18 18.738 6.795 3.512
124 1HB GLU 18 1HB GLU 18 18.305 9.395 3.682
125 2HB GLU 18 2HB GLU 18 18.882 9.214 5.327
126 1HG GLU 18 1HG GLU 18 21.053 8.819 4.673
127 2HG GLU 18 2HG GLU 18 20.574 7.852 3.292
128 HE2 GLU 18 HE2 GLU 18 19.120 9.621 1.824
129 H ASP 19 HN ASP 19 18.048 8.202 6.799
130 HA ASP 19 HA ASP 19 19.633 6.056 7.900
131 1HB ASP 19 1HB ASP 19 18.419 8.567 9.147
132 2HB ASP 19 2HB ASP 19 19.375 7.403 10.042
133 HD2 ASP 19 HD2 ASP 19 21.061 9.115 6.947
134 H LEU 20 HN LEU 20 16.411 7.707 8.272
135 HA LEU 20 HA LEU 20 14.589 7.090 9.427
136 1HB LEU 20 1HB LEU 20 13.879 6.179 7.477
137 2HB LEU 20 2HB LEU 20 15.209 5.042 7.377
138 HG LEU 20 HG LEU 20 13.443 4.434 9.618
139 1HD1 LEU 20 1HD1 LEU 20 12.170 4.172 6.890
140 2HD1 LEU 20 2HD1 LEU 20 11.448 3.873 8.491
141 3HD1 LEU 20 3HD1 LEU 20 11.837 5.536 7.985
142 1HD2 LEU 20 1HD2 LEU 20 14.861 3.057 7.419
143 2HD2 LEU 20 2HD2 LEU 20 14.685 2.619 9.136
144 3HD2 LEU 20 3HD2 LEU 20 13.367 2.274 7.990
145 HA PRO 21 HA PRO 21 16.594 4.741 12.766
146 1HB PRO 21 1HB PRO 21 16.173 6.579 14.732
147 2HB PRO 21 2HB PRO 21 17.476 6.777 13.516
148 1HG PRO 21 1HG PRO 21 14.844 8.018 13.621
149 2HG PRO 21 2HG PRO 21 16.391 8.797 13.154
150 1HD PRO 21 HD2 PRO 21 14.449 7.877 11.350
151 2HD PRO 21 HD3 PRO 21 16.188 8.024 10.954
152 H ASP 22 HN ASP 22 15.498 4.307 15.118
153 HA ASP 22 HA ASP 22 12.789 3.601 14.440
154 1HB ASP 22 1HB ASP 22 13.793 2.888 17.135
155 2HB ASP 22 2HB ASP 22 13.053 1.866 15.919
156 HD2 ASP 22 HD2 ASP 22 16.247 2.792 17.111
157 H ASP 23 HN ASP 23 13.376 6.427 14.903
158 HA ASP 23 HA ASP 23 11.490 6.898 16.965
159 1HB ASP 23 1HB ASP 23 13.739 6.696 18.179
160 2HB ASP 23 2HB ASP 23 14.278 8.100 17.280
161 HD2 ASP 23 HD2 ASP 23 14.226 9.737 18.479
162 H TRP 24 HN TRP 24 11.463 7.353 14.171
163 HA TRP 24 HA TRP 24 12.379 10.015 13.609
164 1HB TRP 24 1HB TRP 24 12.256 8.036 11.997
165 2HB TRP 24 2HB TRP 24 10.530 8.331 11.929
166 HD1 TRP 24 HD1 TRP 24 13.609 10.745 11.603
167 HE1 TRP 24 HE1 TRP 24 13.313 12.326 9.513
168 HE3 TRP 24 HE3 TRP 24 9.136 8.828 10.128
169 HZ2 TRP 24 HZ2 TRP 24 11.286 12.593 7.520
170 HZ3 TRP 24 HZ3 TRP 24 8.066 9.806 8.100
171 HH2 TRP 24 HH2 TRP 24 9.068 11.625 6.810
172 H ALA 25 HN ALA 25 11.093 11.892 13.503
173 HA ALA 25 HA ALA 25 8.311 11.542 14.387
174 1HB ALA 25 1HB ALA 25 9.689 14.058 15.131
175 2HB ALA 25 2HB ALA 25 8.599 13.024 16.085
176 3HB ALA 25 3HB ALA 25 10.320 12.598 15.930
177 H CYS 26 HN CYS 26 6.768 12.799 13.318
178 HA CYS 26 HA CYS 26 7.108 13.439 10.748
179 1HB CYS 26 1HB CYS 26 5.061 13.638 12.522
180 2HB CYS 26 2HB CYS 26 5.367 15.333 12.203
181 HA PRO 27 HA PRO 27 9.700 17.045 10.797
182 1HB PRO 27 1HB PRO 27 9.738 17.539 8.132
183 2HB PRO 27 2HB PRO 27 10.442 16.035 8.808
184 1HG PRO 27 1HG PRO 27 7.603 16.237 7.382
185 2HG PRO 27 2HG PRO 27 9.079 15.218 7.412
186 1HD PRO 27 HD2 PRO 27 6.673 14.971 9.030
187 2HD PRO 27 HD3 PRO 27 8.176 14.009 9.163
188 H VAL 28 HN VAL 28 6.468 17.118 10.957
189 HA VAL 28 HA VAL 28 6.413 19.989 10.441
190 HB VAL 28 HB VAL 28 4.049 18.339 9.655
191 1HG1 VAL 28 1HG1 VAL 28 3.461 20.197 8.349
192 2HG1 VAL 28 2HG1 VAL 28 4.157 20.912 9.824
193 3HG1 VAL 28 3HG1 VAL 28 5.124 20.832 8.331
194 1HG2 VAL 28 1HG2 VAL 28 6.534 18.737 7.961
195 2HG2 VAL 28 2HG2 VAL 28 5.771 17.201 8.437
196 3HG2 VAL 28 3HG2 VAL 28 4.943 18.291 7.300
197 H CYS 29 HN CYS 29 4.007 17.432 11.365
198 HA CYS 29 HA CYS 29 2.949 18.995 13.419
199 1HB CYS 29 1HB CYS 29 1.651 17.094 14.006
200 2HB CYS 29 2HB CYS 29 1.764 17.159 12.259
201 H GLY 30 HN GLY 30 5.807 16.993 13.125
202 1HA GLY 30 HA1 GLY 30 7.482 16.551 14.559
203 2HA GLY 30 HA2 GLY 30 6.812 17.750 15.647
204 H ALA 31 HN ALA 31 5.066 14.846 14.441
205 HA ALA 31 HA ALA 31 4.888 13.954 17.227
206 1HB ALA 31 1HB ALA 31 3.185 12.897 14.978
207 2HB ALA 31 2HB ALA 31 2.790 13.096 16.703
208 3HB ALA 31 3HB ALA 31 2.857 14.519 15.635
209 H SER 32 HN SER 32 4.945 11.555 17.589
210 HA SER 32 HA SER 32 7.269 10.517 16.532
211 1HB SER 32 1HB SER 32 6.371 8.321 17.559
212 2HB SER 32 2HB SER 32 6.587 9.683 18.640
213 HG SER 32 HG SER 32 4.490 9.681 19.056
214 H LYS 33 HN LYS 33 7.574 8.571 15.148
215 HA LYS 33 HA LYS 33 5.710 8.630 12.941
216 1HB LYS 33 1HB LYS 33 7.411 7.315 11.780
217 2HB LYS 33 2HB LYS 33 8.100 8.761 12.488
218 1HG LYS 33 1HG LYS 33 9.636 7.419 13.487
219 2HG LYS 33 2HG LYS 33 8.352 6.864 14.542
220 1HD LYS 33 HD2 LYS 33 7.990 5.406 12.136
221 2HD LYS 33 HD3 LYS 33 9.723 5.429 12.385
222 1HE LYS 33 2HE LYS 33 9.504 4.464 14.610
223 2HE LYS 33 3HE LYS 33 7.765 4.684 14.603
224 1HZ LYS 33 HZ1 LYS 33 7.481 2.869 13.259
225 2HZ LYS 33 HZ2 LYS 33 8.858 3.089 12.419
226 H ASP 34 HN ASP 34 4.307 7.725 15.078
227 HA ASP 34 HA ASP 34 4.344 4.834 14.709
228 1HB ASP 34 1HB ASP 34 4.735 5.630 17.050
229 2HB ASP 34 2HB ASP 34 3.217 6.505 17.006
230 HD2 ASP 34 HD2 ASP 34 2.752 5.260 18.818
231 H ALA 35 HN ALA 35 2.367 7.844 15.009
232 HA ALA 35 HA ALA 35 -0.136 6.638 14.632
233 1HB ALA 35 1HB ALA 35 1.050 9.359 14.659
234 2HB ALA 35 2HB ALA 35 -0.448 9.193 13.711
235 3HB ALA 35 3HB ALA 35 -0.431 8.748 15.434
236 H PHE 36 HN PHE 36 2.553 7.007 12.533
237 HA PHE 36 HA PHE 36 1.198 7.491 10.117
238 1HB PHE 36 1HB PHE 36 3.841 6.262 11.038
239 2HB PHE 36 2HB PHE 36 3.439 6.234 9.333
240 HD1 PHE 36 HD1 PHE 36 2.811 8.922 11.833
241 HD2 PHE 36 HD2 PHE 36 4.933 7.724 8.359
242 HE1 PHE 36 HE1 PHE 36 3.712 11.250 11.582
243 HE2 PHE 36 HE2 PHE 36 5.835 10.054 8.107
244 HZ PHE 36 HZ PHE 36 5.214 11.789 9.721
245 H GLU 37 HN GLU 37 0.174 6.138 8.674
246 HA GLU 37 HA GLU 37 0.607 3.328 8.855
247 1HB GLU 37 1HB GLU 37 -1.370 4.273 10.515
248 2HB GLU 37 2HB GLU 37 -2.297 3.967 9.059
249 1HG GLU 37 1HG GLU 37 -2.209 1.970 10.567
250 2HG GLU 37 2HG GLU 37 -1.536 1.637 8.984
251 HE2 GLU 37 HE2 GLU 37 0.063 0.374 9.306
252 H LYS 38 HN LYS 38 -0.080 2.224 6.931
253 HA LYS 38 HA LYS 38 0.085 3.524 4.599
254 1HB LYS 38 1HB LYS 38 0.126 1.104 4.803
255 2HB LYS 38 2HB LYS 38 -1.573 1.066 5.226
256 1HG LYS 38 1HG LYS 38 -0.974 2.515 2.692
257 2HG LYS 38 2HG LYS 38 -0.586 0.806 2.655
258 1HD LYS 38 HD2 LYS 38 -2.953 0.391 3.624
259 2HD LYS 38 HD3 LYS 38 -3.286 2.076 3.273
260 1HE LYS 38 2HE LYS 38 -3.492 1.689 1.030
261 2HE LYS 38 3HE LYS 38 -2.049 0.697 0.977
262 1HZ LYS 38 HZ1 LYS 38 -3.299 -1.191 1.700
263 2HZ LYS 38 HZ2 LYS 38 -4.613 -0.307 2.081
264 H GLN 39 HN GLN 39 -1.219 4.662 3.163
265 HA GLN 39 HA GLN 39 -3.992 4.773 3.461
266 1HB GLN 39 1HB GLN 39 -2.813 6.322 5.380
267 2HB GLN 39 2HB GLN 39 -2.908 7.489 4.076
268 1HG GLN 39 1HG GLN 39 -5.295 5.809 4.961
269 2HG GLN 39 2HG GLN 39 -4.943 7.385 5.641
270 1HE2 GLN 39 1HE2 GLN 39 -5.080 9.238 4.376
271 2HE2 GLN 39 2HE2 GLN 39 -5.958 9.295 2.883
Start of MODEL 3
1 1H MET 1 HN MET 1 0.785 0.734 -1.863
2 HA MET 1 HA MET 1 2.621 0.569 -3.133
3 1HB MET 1 1HB MET 1 1.989 3.478 -3.854
4 2HB MET 1 2HB MET 1 3.483 2.713 -4.359
5 1HG MET 1 1HG MET 1 1.920 0.813 -5.315
6 2HG MET 1 2HG MET 1 0.642 2.002 -5.167
7 1HE MET 1 1HE MET 1 2.128 0.671 -8.121
8 2HE MET 1 2HE MET 1 3.643 1.560 -8.401
9 3HE MET 1 3HE MET 1 3.442 0.589 -6.924
10 H ASP 2 HN ASP 2 2.820 0.604 -0.516
11 HA ASP 2 HA ASP 2 3.913 1.218 1.269
12 1HB ASP 2 1HB ASP 2 5.996 1.755 -0.890
13 2HB ASP 2 2HB ASP 2 6.389 1.843 0.815
14 HD2 ASP 2 HD2 ASP 2 6.412 -1.333 1.508
15 H ILE 3 HN ILE 3 2.739 3.104 1.992
16 HA ILE 3 HA ILE 3 4.174 5.594 1.595
17 HB ILE 3 HB ILE 3 1.278 5.189 0.861
18 1HG1 ILE 3 2HG1 ILE 3 3.656 6.241 -0.699
19 2HG1 ILE 3 3HG1 ILE 3 2.895 4.677 -0.908
20 1HG2 ILE 3 1HG2 ILE 3 0.786 7.292 1.373
21 2HG2 ILE 3 2HG2 ILE 3 2.352 7.404 2.212
22 3HG2 ILE 3 3HG2 ILE 3 2.218 7.896 0.507
23 1HD1 ILE 3 1HD1 ILE 3 2.204 7.007 -2.269
24 2HD1 ILE 3 2HD1 ILE 3 1.192 5.547 -2.145
25 3HD1 ILE 3 3HD1 ILE 3 0.950 6.896 -1.011
26 H TYR 4 HN TYR 4 4.245 6.775 3.395
27 HA TYR 4 HA TYR 4 2.637 5.797 5.707
28 1HB TYR 4 1HB TYR 4 5.378 7.095 5.566
29 2HB TYR 4 2HB TYR 4 4.504 6.768 7.071
30 HD1 TYR 4 HD1 TYR 4 4.216 4.486 7.894
31 HD2 TYR 4 HD2 TYR 4 6.367 5.291 4.263
32 HE1 TYR 4 HE1 TYR 4 5.157 2.192 7.942
33 HE2 TYR 4 HE2 TYR 4 7.307 2.997 4.313
34 HH TYR 4 HH TYR 4 7.769 1.172 6.126
35 H VAL 5 HN VAL 5 0.799 7.197 5.412
36 HA VAL 5 HA VAL 5 1.418 10.045 5.303
37 HB VAL 5 HB VAL 5 -1.222 8.586 5.082
38 1HG1 VAL 5 1HG1 VAL 5 -0.925 11.183 5.700
39 2HG1 VAL 5 2HG1 VAL 5 -0.791 11.301 3.929
40 3HG1 VAL 5 3HG1 VAL 5 -2.243 10.581 4.666
41 1HG2 VAL 5 1HG2 VAL 5 0.539 8.068 3.297
42 2HG2 VAL 5 2HG2 VAL 5 -1.038 8.670 2.729
43 3HG2 VAL 5 3HG2 VAL 5 0.363 9.766 2.792
44 H CYS 6 HN CYS 6 1.659 11.108 7.195
45 HA CYS 6 HA CYS 6 1.212 10.041 9.655
46 1HB CYS 6 1HB CYS 6 2.530 12.085 9.122
47 2HB CYS 6 2HB CYS 6 1.031 12.974 8.938
48 H THR 7 HN THR 7 -0.507 10.408 11.272
49 HA THR 7 HA THR 7 -3.116 10.866 9.986
50 HB THR 7 HB THR 7 -3.947 9.354 11.833
51 HG1 THR 7 HG1 THR 7 -2.087 9.925 13.248
52 1HG2 THR 7 1HG2 THR 7 -2.561 7.263 11.156
53 2HG2 THR 7 2HG2 THR 7 -3.414 8.102 9.839
54 3HG2 THR 7 3HG2 THR 7 -1.666 8.351 10.068
55 H VAL 8 HN VAL 8 -1.045 12.799 11.248
56 HA VAL 8 HA VAL 8 -2.912 13.920 13.223
57 HB VAL 8 HB VAL 8 0.090 13.909 13.039
58 1HG1 VAL 8 1HG1 VAL 8 -0.204 16.178 13.465
59 2HG1 VAL 8 2HG1 VAL 8 -1.693 15.917 14.404
60 3HG1 VAL 8 3HG1 VAL 8 -0.114 15.491 15.105
61 1HG2 VAL 8 1HG2 VAL 8 -0.566 12.115 14.348
62 2HG2 VAL 8 2HG2 VAL 8 -0.348 13.389 15.572
63 3HG2 VAL 8 3HG2 VAL 8 -1.982 12.969 15.005
64 H CYS 9 HN CYS 9 -0.431 14.744 10.701
65 HA CYS 9 HA CYS 9 -1.940 17.212 10.257
66 1HB CYS 9 1HB CYS 9 0.192 17.898 9.023
67 2HB CYS 9 2HB CYS 9 0.213 17.871 10.775
68 H GLY 10 HN GLY 10 -1.020 14.071 9.030
69 1HA GLY 10 HA1 GLY 10 -2.029 13.034 7.228
70 2HA GLY 10 HA2 GLY 10 -2.502 14.588 6.570
71 H TYR 11 HN TYR 11 0.704 14.593 7.712
72 HA TYR 11 HA TYR 11 1.997 15.327 5.434
73 1HB TYR 11 1HB TYR 11 2.957 15.104 7.742
74 2HB TYR 11 2HB TYR 11 3.110 13.361 7.461
75 HD1 TYR 11 HD1 TYR 11 5.425 12.990 7.439
76 HD2 TYR 11 HD2 TYR 11 3.766 16.181 5.088
77 HE1 TYR 11 HE1 TYR 11 7.634 13.356 6.375
78 HE2 TYR 11 HE2 TYR 11 5.977 16.545 4.024
79 HH TYR 11 HH TYR 11 8.478 16.077 4.633
80 H GLU 12 HN GLU 12 3.375 14.170 3.815
81 HA GLU 12 HA GLU 12 2.407 11.451 3.411
82 1HB GLU 12 1HB GLU 12 2.294 13.795 1.579
83 2HB GLU 12 2HB GLU 12 2.879 12.319 0.840
84 1HG GLU 12 1HG GLU 12 0.574 11.733 2.531
85 2HG GLU 12 2HG GLU 12 0.175 13.016 1.406
86 HE2 GLU 12 HE2 GLU 12 -1.059 10.561 0.298
87 H TYR 13 HN TYR 13 4.017 10.044 3.408
88 HA TYR 13 HA TYR 13 6.765 11.025 2.833
89 1HB TYR 13 1HB TYR 13 6.219 10.011 5.079
90 2HB TYR 13 2HB TYR 13 5.887 8.485 4.242
91 HD1 TYR 13 HD1 TYR 13 7.616 6.967 3.828
92 HD2 TYR 13 HD2 TYR 13 8.568 11.058 4.732
93 HE1 TYR 13 HE1 TYR 13 10.023 6.384 3.935
94 HE2 TYR 13 HE2 TYR 13 10.975 10.474 4.838
95 HH TYR 13 HH TYR 13 12.433 8.483 5.191
96 H ASP 14 HN ASP 14 8.224 9.563 1.566
97 HA ASP 14 HA ASP 14 6.686 7.735 -0.091
98 1HB ASP 14 1HB ASP 14 7.289 10.092 -1.126
99 2HB ASP 14 2HB ASP 14 8.915 9.448 -1.238
100 HD2 ASP 14 HD2 ASP 14 8.659 9.250 -3.840
101 HA PRO 15 HA PRO 15 10.040 5.434 2.097
102 1HB PRO 15 1HB PRO 15 8.731 3.496 0.133
103 2HB PRO 15 2HB PRO 15 9.338 3.226 1.800
104 1HG PRO 15 1HG PRO 15 6.707 3.735 1.368
105 2HG PRO 15 2HG PRO 15 7.463 4.363 2.870
106 1HD PRO 15 HD2 PRO 15 6.560 5.802 0.404
107 2HD PRO 15 HD3 PRO 15 6.902 6.457 2.034
108 H ALA 16 HN ALA 16 12.039 6.153 1.277
109 HA ALA 16 HA ALA 16 13.246 4.823 -0.782
110 1HB ALA 16 1HB ALA 16 12.548 5.740 -2.707
111 2HB ALA 16 2HB ALA 16 11.348 6.692 -1.799
112 3HB ALA 16 3HB ALA 16 12.966 7.364 -2.112
113 H PHE 17 HN PHE 17 14.434 5.155 1.396
114 HA PHE 17 HA PHE 17 16.368 7.240 0.943
115 1HB PHE 17 1HB PHE 17 14.530 7.004 3.395
116 2HB PHE 17 2HB PHE 17 16.029 7.910 3.453
117 HD1 PHE 17 HD1 PHE 17 16.277 9.985 2.141
118 HD2 PHE 17 HD2 PHE 17 12.594 7.883 2.278
119 HE1 PHE 17 HE1 PHE 17 15.087 12.012 1.263
120 HE2 PHE 17 HE2 PHE 17 11.403 9.911 1.402
121 HZ PHE 17 HZ PHE 17 12.664 11.952 0.905
122 H GLU 18 HN GLU 18 17.805 7.125 3.296
123 HA GLU 18 HA GLU 18 18.100 4.327 3.930
124 1HB GLU 18 1HB GLU 18 19.608 5.058 1.905
125 2HB GLU 18 2HB GLU 18 20.568 5.887 3.115
126 1HG GLU 18 1HG GLU 18 20.361 3.500 4.368
127 2HG GLU 18 2HG GLU 18 20.136 2.933 2.726
128 HE2 GLU 18 HE2 GLU 18 23.101 2.360 2.506
129 H ASP 19 HN ASP 19 17.021 5.695 5.806
130 HA ASP 19 HA ASP 19 18.834 5.795 7.852
131 1HB ASP 19 1HB ASP 19 19.016 8.131 6.286
132 2HB ASP 19 2HB ASP 19 17.993 8.613 7.625
133 HD2 ASP 19 HD2 ASP 19 20.786 9.703 8.780
134 H LEU 20 HN LEU 20 17.086 4.742 8.949
135 HA LEU 20 HA LEU 20 14.923 6.514 9.740
136 1HB LEU 20 1HB LEU 20 14.339 5.054 7.670
137 2HB LEU 20 2HB LEU 20 14.253 3.737 8.823
138 HG LEU 20 HG LEU 20 12.662 6.290 9.143
139 1HD1 LEU 20 1HD1 LEU 20 11.258 5.690 7.537
140 2HD1 LEU 20 2HD1 LEU 20 12.329 4.332 7.119
141 3HD1 LEU 20 3HD1 LEU 20 11.020 4.100 8.303
142 1HD2 LEU 20 1HD2 LEU 20 12.717 5.205 11.205
143 2HD2 LEU 20 2HD2 LEU 20 11.196 4.640 10.474
144 3HD2 LEU 20 3HD2 LEU 20 12.631 3.586 10.471
145 HA PRO 21 HA PRO 21 16.906 4.320 13.227
146 1HB PRO 21 1HB PRO 21 16.251 6.896 14.580
147 2HB PRO 21 2HB PRO 21 17.823 6.053 14.379
148 1HG PRO 21 1HG PRO 21 17.317 8.395 12.936
149 2HG PRO 21 2HG PRO 21 18.311 7.007 12.385
150 1HD PRO 21 HD2 PRO 21 15.353 7.632 11.865
151 2HD PRO 21 HD3 PRO 21 16.621 7.174 10.686
152 H ASP 22 HN ASP 22 15.894 4.478 15.725
153 HA ASP 22 HA ASP 22 13.120 3.819 15.253
154 1HB ASP 22 1HB ASP 22 13.401 3.026 17.760
155 2HB ASP 22 2HB ASP 22 14.086 2.068 16.462
156 HD2 ASP 22 HD2 ASP 22 16.111 1.679 16.558
157 H ASP 23 HN ASP 23 13.249 6.491 15.068
158 HA ASP 23 HA ASP 23 11.743 7.426 17.163
159 1HB ASP 23 1HB ASP 23 14.204 7.315 18.157
160 2HB ASP 23 2HB ASP 23 14.464 8.763 17.206
161 HD2 ASP 23 HD2 ASP 23 13.692 7.742 20.099
162 H TRP 24 HN TRP 24 11.067 7.676 14.666
163 HA TRP 24 HA TRP 24 12.250 10.083 13.509
164 1HB TRP 24 1HB TRP 24 11.920 7.902 12.221
165 2HB TRP 24 2HB TRP 24 10.206 8.264 12.247
166 HD1 TRP 24 HD1 TRP 24 13.299 10.510 11.360
167 HE1 TRP 24 HE1 TRP 24 12.892 11.766 9.075
168 HE3 TRP 24 HE3 TRP 24 8.723 8.486 10.459
169 HZ2 TRP 24 HZ2 TRP 24 10.749 11.772 7.189
170 HZ3 TRP 24 HZ3 TRP 24 7.541 9.169 8.373
171 HH2 TRP 24 HH2 TRP 24 8.482 10.753 6.767
172 H ALA 25 HN ALA 25 11.041 11.990 13.248
173 HA ALA 25 HA ALA 25 8.311 11.904 14.333
174 1HB ALA 25 1HB ALA 25 9.393 14.461 14.849
175 2HB ALA 25 2HB ALA 25 9.032 13.185 16.035
176 3HB ALA 25 3HB ALA 25 10.659 13.304 15.322
177 H CYS 26 HN CYS 26 6.775 13.085 13.187
178 HA CYS 26 HA CYS 26 7.195 13.518 10.524
179 1HB CYS 26 1HB CYS 26 5.024 13.430 12.004
180 2HB CYS 26 2HB CYS 26 5.189 15.176 12.009
181 HA PRO 27 HA PRO 27 9.605 17.238 10.509
182 1HB PRO 27 1HB PRO 27 9.498 17.769 7.846
183 2HB PRO 27 2HB PRO 27 10.342 16.318 8.479
184 1HG PRO 27 1HG PRO 27 7.378 16.310 7.358
185 2HG PRO 27 2HG PRO 27 8.861 15.383 6.963
186 1HD PRO 27 HD2 PRO 27 6.984 14.560 8.837
187 2HD PRO 27 HD3 PRO 27 8.726 14.173 8.978
188 H VAL 28 HN VAL 28 6.219 16.963 10.199
189 HA VAL 28 HA VAL 28 5.976 19.850 9.714
190 HB VAL 28 HB VAL 28 3.946 17.623 9.440
191 1HG1 VAL 28 1HG1 VAL 28 3.351 20.195 10.038
192 2HG1 VAL 28 2HG1 VAL 28 3.437 20.302 8.264
193 3HG1 VAL 28 3HG1 VAL 28 2.319 19.150 9.034
194 1HG2 VAL 28 1HG2 VAL 28 4.501 19.084 7.013
195 2HG2 VAL 28 2HG2 VAL 28 6.010 18.425 7.687
196 3HG2 VAL 28 3HG2 VAL 28 4.642 17.340 7.340
197 H CYS 29 HN CYS 29 3.555 17.717 11.245
198 HA CYS 29 HA CYS 29 2.962 19.424 13.269
199 1HB CYS 29 1HB CYS 29 2.027 17.450 14.451
200 2HB CYS 29 2HB CYS 29 1.510 17.619 12.785
201 H GLY 30 HN GLY 30 5.308 16.649 13.248
202 1HA GLY 30 HA1 GLY 30 7.438 16.909 14.285
203 2HA GLY 30 HA2 GLY 30 6.713 17.945 15.499
204 H ALA 31 HN ALA 31 4.304 15.799 15.227
205 HA ALA 31 HA ALA 31 4.848 14.489 17.610
206 1HB ALA 31 1HB ALA 31 2.698 14.817 15.895
207 2HB ALA 31 2HB ALA 31 3.039 13.076 15.762
208 3HB ALA 31 3HB ALA 31 2.709 13.800 17.354
209 H SER 32 HN SER 32 4.970 12.026 17.872
210 HA SER 32 HA SER 32 7.295 11.178 16.570
211 1HB SER 32 1HB SER 32 6.677 8.942 17.745
212 2HB SER 32 2HB SER 32 7.006 10.337 18.754
213 HG SER 32 HG SER 32 4.311 9.870 17.913
214 H LYS 33 HN LYS 33 7.334 8.802 15.557
215 HA LYS 33 HA LYS 33 5.403 8.880 13.391
216 1HB LYS 33 1HB LYS 33 6.914 7.287 12.303
217 2HB LYS 33 2HB LYS 33 7.757 8.737 12.809
218 1HG LYS 33 1HG LYS 33 9.215 7.446 13.968
219 2HG LYS 33 2HG LYS 33 7.907 6.973 15.036
220 1HD LYS 33 HD2 LYS 33 8.752 4.912 14.186
221 2HD LYS 33 HD3 LYS 33 7.285 5.191 13.269
222 1HE LYS 33 2HE LYS 33 9.855 6.300 12.149
223 2HE LYS 33 3HE LYS 33 9.621 4.566 12.070
224 1HZ LYS 33 HZ1 LYS 33 8.396 5.013 10.248
225 2HZ LYS 33 HZ2 LYS 33 7.227 5.584 11.226
226 H ASP 34 HN ASP 34 4.254 8.269 15.899
227 HA ASP 34 HA ASP 34 4.037 5.391 15.899
228 1HB ASP 34 1HB ASP 34 2.647 5.787 17.963
229 2HB ASP 34 2HB ASP 34 4.272 6.432 18.082
230 HD2 ASP 34 HD2 ASP 34 1.505 8.751 19.111
231 H ALA 35 HN ALA 35 1.995 8.401 15.733
232 HA ALA 35 HA ALA 35 -0.431 7.103 15.261
233 1HB ALA 35 1HB ALA 35 0.529 9.725 15.604
234 2HB ALA 35 2HB ALA 35 -0.220 9.716 13.989
235 3HB ALA 35 3HB ALA 35 -1.168 9.223 15.412
236 H PHE 36 HN PHE 36 2.400 7.410 13.318
237 HA PHE 36 HA PHE 36 1.232 7.607 10.782
238 1HB PHE 36 1HB PHE 36 3.809 6.594 12.050
239 2HB PHE 36 2HB PHE 36 3.547 6.243 10.353
240 HD1 PHE 36 HD1 PHE 36 3.334 9.167 12.674
241 HD2 PHE 36 HD2 PHE 36 4.411 7.734 8.829
242 HE1 PHE 36 HE1 PHE 36 4.203 11.443 12.070
243 HE2 PHE 36 HE2 PHE 36 5.281 10.010 8.224
244 HZ PHE 36 HZ PHE 36 5.166 11.836 9.852
245 H GLU 37 HN GLU 37 0.382 6.102 9.365
246 HA GLU 37 HA GLU 37 0.418 3.348 10.329
247 1HB GLU 37 1HB GLU 37 -1.829 4.833 10.365
248 2HB GLU 37 2HB GLU 37 -1.902 4.334 8.687
249 1HG GLU 37 1HG GLU 37 -2.240 2.097 9.210
250 2HG GLU 37 2HG GLU 37 -1.275 2.175 10.671
251 HE2 GLU 37 HE2 GLU 37 -3.665 1.186 11.725
252 H LYS 38 HN LYS 38 0.293 1.681 8.608
253 HA LYS 38 HA LYS 38 1.630 2.651 6.208
254 1HB LYS 38 1HB LYS 38 2.535 0.773 7.696
255 2HB LYS 38 2HB LYS 38 1.244 -0.224 7.059
256 1HG LYS 38 1HG LYS 38 2.148 -0.286 4.911
257 2HG LYS 38 2HG LYS 38 2.885 1.297 5.052
258 1HD LYS 38 HD2 LYS 38 4.855 0.243 5.455
259 2HD LYS 38 HD3 LYS 38 4.211 -0.215 7.018
260 1HE LYS 38 2HE LYS 38 3.252 -2.299 6.015
261 2HE LYS 38 3HE LYS 38 3.891 -1.840 4.448
262 1HZ LYS 38 HZ1 LYS 38 5.758 -1.982 6.712
263 2HZ LYS 38 HZ2 LYS 38 5.273 -3.379 6.032
264 H GLN 39 HN GLN 39 0.230 3.340 4.661
265 HA GLN 39 HA GLN 39 -1.690 1.404 3.761
266 1HB GLN 39 1HB GLN 39 -2.722 3.095 5.533
267 2HB GLN 39 2HB GLN 39 -2.729 4.210 4.181
268 1HG GLN 39 1HG GLN 39 -3.831 1.442 3.716
269 2HG GLN 39 2HG GLN 39 -4.798 2.553 4.665
270 1HE2 GLN 39 1HE2 GLN 39 -6.371 3.164 3.363
271 2HE2 GLN 39 2HE2 GLN 39 -6.197 3.874 1.793
Start of MODEL 4
1 1H MET 1 HN MET 1 7.564 0.412 -3.814
2 HA MET 1 HA MET 1 5.120 0.769 -3.754
3 1HB MET 1 1HB MET 1 6.592 -1.800 -3.210
4 2HB MET 1 2HB MET 1 4.853 -1.872 -3.000
5 1HG MET 1 1HG MET 1 4.532 -0.965 -5.312
6 2HG MET 1 2HG MET 1 6.269 -0.881 -5.523
7 1HE MET 1 1HE MET 1 5.060 -2.790 -7.838
8 2HE MET 1 2HE MET 1 6.623 -2.096 -7.342
9 3HE MET 1 3HE MET 1 6.462 -3.853 -7.578
10 H ASP 2 HN ASP 2 5.414 2.247 -1.563
11 HA ASP 2 HA ASP 2 3.459 1.181 0.161
12 1HB ASP 2 1HB ASP 2 6.101 0.532 0.844
13 2HB ASP 2 2HB ASP 2 5.786 1.958 1.813
14 HD2 ASP 2 HD2 ASP 2 6.070 -0.851 2.594
15 H ILE 3 HN ILE 3 2.778 2.907 1.770
16 HA ILE 3 HA ILE 3 4.051 5.489 1.412
17 HB ILE 3 HB ILE 3 1.162 4.955 0.721
18 1HG1 ILE 3 2HG1 ILE 3 2.799 4.396 -1.050
19 2HG1 ILE 3 3HG1 ILE 3 1.726 5.709 -1.492
20 1HG2 ILE 3 1HG2 ILE 3 1.978 7.145 2.063
21 2HG2 ILE 3 2HG2 ILE 3 2.304 7.670 0.394
22 3HG2 ILE 3 3HG2 ILE 3 0.666 7.153 0.860
23 1HD1 ILE 3 1HD1 ILE 3 3.466 7.134 -1.764
24 2HD1 ILE 3 2HD1 ILE 3 4.093 6.760 -0.141
25 3HD1 ILE 3 3HD1 ILE 3 4.552 5.745 -1.529
26 H TYR 4 HN TYR 4 3.874 6.780 3.172
27 HA TYR 4 HA TYR 4 2.206 5.775 5.424
28 1HB TYR 4 1HB TYR 4 5.107 6.668 5.489
29 2HB TYR 4 2HB TYR 4 4.107 6.408 6.928
30 HD1 TYR 4 HD1 TYR 4 3.183 4.093 7.380
31 HD2 TYR 4 HD2 TYR 4 6.177 4.862 4.396
32 HE1 TYR 4 HE1 TYR 4 3.789 1.688 7.366
33 HE2 TYR 4 HE2 TYR 4 6.781 2.457 4.382
34 HH TYR 4 HH TYR 4 5.277 0.116 5.124
35 H VAL 5 HN VAL 5 0.637 7.389 5.566
36 HA VAL 5 HA VAL 5 1.651 10.141 5.432
37 HB VAL 5 HB VAL 5 -1.080 8.960 4.906
38 1HG1 VAL 5 1HG1 VAL 5 -2.051 10.990 4.999
39 2HG1 VAL 5 2HG1 VAL 5 -0.656 11.433 6.012
40 3HG1 VAL 5 3HG1 VAL 5 -0.647 11.806 4.271
41 1HG2 VAL 5 1HG2 VAL 5 -0.181 8.670 2.866
42 2HG2 VAL 5 2HG2 VAL 5 -0.337 10.436 2.703
43 3HG2 VAL 5 3HG2 VAL 5 1.208 9.722 3.225
44 H CYS 6 HN CYS 6 1.617 11.372 7.255
45 HA CYS 6 HA CYS 6 1.128 10.216 9.711
46 1HB CYS 6 1HB CYS 6 2.488 12.304 9.098
47 2HB CYS 6 2HB CYS 6 0.975 13.182 9.197
48 H THR 7 HN THR 7 -0.682 10.270 11.136
49 HA THR 7 HA THR 7 -3.196 11.054 9.830
50 HB THR 7 HB THR 7 -4.199 9.368 11.335
51 HG1 THR 7 HG1 THR 7 -2.634 9.875 13.092
52 1HG2 THR 7 1HG2 THR 7 -2.736 7.322 10.788
53 2HG2 THR 7 2HG2 THR 7 -3.251 8.277 9.376
54 3HG2 THR 7 3HG2 THR 7 -1.598 8.449 10.013
55 H VAL 8 HN VAL 8 -1.142 12.804 11.312
56 HA VAL 8 HA VAL 8 -3.024 13.777 13.351
57 HB VAL 8 HB VAL 8 -0.015 13.763 13.208
58 1HG1 VAL 8 1HG1 VAL 8 -0.423 15.991 13.861
59 2HG1 VAL 8 2HG1 VAL 8 -1.822 15.537 14.863
60 3HG1 VAL 8 3HG1 VAL 8 -0.175 15.113 15.389
61 1HG2 VAL 8 1HG2 VAL 8 -0.446 11.900 14.409
62 2HG2 VAL 8 2HG2 VAL 8 -0.729 13.044 15.744
63 3HG2 VAL 8 3HG2 VAL 8 -2.104 12.412 14.807
64 H CYS 9 HN CYS 9 -0.512 14.760 10.922
65 HA CYS 9 HA CYS 9 -1.939 17.304 10.710
66 1HB CYS 9 1HB CYS 9 0.194 18.046 9.540
67 2HB CYS 9 2HB CYS 9 0.251 17.814 11.276
68 H GLY 10 HN GLY 10 -1.096 14.265 9.184
69 1HA GLY 10 HA1 GLY 10 -2.223 13.448 7.316
70 2HA GLY 10 HA2 GLY 10 -2.549 15.082 6.775
71 H TYR 11 HN TYR 11 0.600 14.942 7.912
72 HA TYR 11 HA TYR 11 1.924 15.607 5.617
73 1HB TYR 11 1HB TYR 11 2.833 15.455 7.964
74 2HB TYR 11 2HB TYR 11 3.021 13.711 7.715
75 HD1 TYR 11 HD1 TYR 11 5.331 13.349 7.699
76 HD2 TYR 11 HD2 TYR 11 3.674 16.535 5.341
77 HE1 TYR 11 HE1 TYR 11 7.550 13.736 6.662
78 HE2 TYR 11 HE2 TYR 11 5.894 16.921 4.304
79 HH TYR 11 HH TYR 11 8.076 16.264 4.187
80 H GLU 12 HN GLU 12 3.425 14.322 4.152
81 HA GLU 12 HA GLU 12 2.339 11.643 3.769
82 1HB GLU 12 1HB GLU 12 2.515 13.918 1.861
83 2HB GLU 12 2HB GLU 12 3.086 12.390 1.220
84 1HG GLU 12 1HG GLU 12 0.989 11.345 1.447
85 2HG GLU 12 2HG GLU 12 0.472 12.415 2.735
86 HE2 GLU 12 HE2 GLU 12 0.378 13.906 -1.007
87 H TYR 13 HN TYR 13 3.800 10.053 3.355
88 HA TYR 13 HA TYR 13 6.666 10.873 3.279
89 1HB TYR 13 1HB TYR 13 5.831 9.739 5.374
90 2HB TYR 13 2HB TYR 13 5.482 8.310 4.387
91 HD1 TYR 13 HD1 TYR 13 7.078 6.640 4.328
92 HD2 TYR 13 HD2 TYR 13 8.326 10.691 5.020
93 HE1 TYR 13 HE1 TYR 13 9.418 5.870 4.611
94 HE2 TYR 13 HE2 TYR 13 10.667 9.922 5.302
95 HH TYR 13 HH TYR 13 11.771 7.430 6.045
96 H ASP 14 HN ASP 14 8.127 9.502 1.970
97 HA ASP 14 HA ASP 14 6.660 7.828 0.103
98 1HB ASP 14 1HB ASP 14 7.341 10.249 -0.727
99 2HB ASP 14 2HB ASP 14 8.961 9.584 -0.809
100 HD2 ASP 14 HD2 ASP 14 6.384 10.117 -2.723
101 HA PRO 15 HA PRO 15 9.905 5.369 2.288
102 1HB PRO 15 1HB PRO 15 8.622 3.531 0.218
103 2HB PRO 15 2HB PRO 15 9.165 3.193 1.894
104 1HG PRO 15 1HG PRO 15 6.501 3.766 1.406
105 2HG PRO 15 2HG PRO 15 7.377 4.278 2.885
106 1HD PRO 15 HD2 PRO 15 6.489 5.871 0.478
107 2HD PRO 15 HD3 PRO 15 6.764 6.416 2.161
108 H ALA 16 HN ALA 16 12.063 5.392 1.651
109 HA ALA 16 HA ALA 16 13.117 4.383 -0.588
110 1HB ALA 16 1HB ALA 16 11.785 6.974 -1.159
111 2HB ALA 16 2HB ALA 16 13.447 6.821 -1.775
112 3HB ALA 16 3HB ALA 16 12.208 5.638 -2.256
113 H PHE 17 HN PHE 17 13.014 7.022 1.778
114 HA PHE 17 HA PHE 17 15.597 7.939 1.621
115 1HB PHE 17 1HB PHE 17 13.778 7.363 4.038
116 2HB PHE 17 2HB PHE 17 15.166 8.431 4.102
117 HD1 PHE 17 HD1 PHE 17 12.846 9.648 4.999
118 HD2 PHE 17 HD2 PHE 17 13.987 9.022 0.960
119 HE1 PHE 17 HE1 PHE 17 11.398 11.572 4.292
120 HE2 PHE 17 HE2 PHE 17 12.539 10.946 0.254
121 HZ PHE 17 HZ PHE 17 11.262 12.198 1.927
122 H GLU 18 HN GLU 18 16.998 7.569 3.931
123 HA GLU 18 HA GLU 18 17.409 4.685 4.031
124 1HB GLU 18 1HB GLU 18 19.121 6.032 2.618
125 2HB GLU 18 2HB GLU 18 19.690 6.691 4.140
126 1HG GLU 18 1HG GLU 18 21.088 4.838 3.975
127 2HG GLU 18 2HG GLU 18 19.766 4.127 4.879
128 HE2 GLU 18 HE2 GLU 18 21.484 4.042 2.082
129 H ASP 19 HN ASP 19 18.335 7.839 5.598
130 HA ASP 19 HA ASP 19 19.009 6.799 8.021
131 1HB ASP 19 1HB ASP 19 18.187 9.423 6.933
132 2HB ASP 19 2HB ASP 19 17.771 9.247 8.626
133 HD2 ASP 19 HD2 ASP 19 20.961 10.106 9.515
134 H LEU 20 HN LEU 20 17.557 5.202 8.857
135 HA LEU 20 HA LEU 20 14.927 6.245 9.625
136 1HB LEU 20 1HB LEU 20 15.203 4.490 7.596
137 2HB LEU 20 2HB LEU 20 15.125 3.371 8.942
138 HG LEU 20 HG LEU 20 12.931 3.714 7.940
139 1HD1 LEU 20 1HD1 LEU 20 13.092 3.206 10.340
140 2HD1 LEU 20 2HD1 LEU 20 13.086 4.948 10.703
141 3HD1 LEU 20 3HD1 LEU 20 11.660 4.189 9.956
142 1HD2 LEU 20 1HD2 LEU 20 12.625 6.492 8.916
143 2HD2 LEU 20 2HD2 LEU 20 13.662 6.278 7.485
144 3HD2 LEU 20 3HD2 LEU 20 11.978 5.700 7.459
145 HA PRO 21 HA PRO 21 17.157 4.709 13.290
146 1HB PRO 21 1HB PRO 21 16.773 6.896 14.852
147 2HB PRO 21 2HB PRO 21 17.990 6.893 13.533
148 1HG PRO 21 1HG PRO 21 15.285 8.060 13.495
149 2HG PRO 21 2HG PRO 21 16.822 8.738 12.863
150 1HD PRO 21 HD2 PRO 21 14.875 7.429 11.314
151 2HD PRO 21 HD3 PRO 21 16.607 7.529 10.872
152 H ASP 22 HN ASP 22 16.195 4.556 15.663
153 HA ASP 22 HA ASP 22 13.432 3.833 15.278
154 1HB ASP 22 1HB ASP 22 13.818 2.939 17.719
155 2HB ASP 22 2HB ASP 22 14.564 2.095 16.376
156 HD2 ASP 22 HD2 ASP 22 16.803 3.748 19.180
157 H ASP 23 HN ASP 23 13.509 6.542 15.198
158 HA ASP 23 HA ASP 23 11.999 7.320 17.368
159 1HB ASP 23 1HB ASP 23 13.674 9.150 18.185
160 2HB ASP 23 2HB ASP 23 13.870 7.518 18.791
161 HD2 ASP 23 HD2 ASP 23 16.279 7.053 18.678
162 H TRP 24 HN TRP 24 11.407 7.547 14.770
163 HA TRP 24 HA TRP 24 12.340 10.139 13.800
164 1HB TRP 24 1HB TRP 24 12.288 7.951 12.419
165 2HB TRP 24 2HB TRP 24 10.562 8.232 12.308
166 HD1 TRP 24 HD1 TRP 24 13.607 10.653 11.797
167 HE1 TRP 24 HE1 TRP 24 13.335 12.003 9.547
168 HE3 TRP 24 HE3 TRP 24 9.221 8.483 10.416
169 HZ2 TRP 24 HZ2 TRP 24 11.359 12.012 7.487
170 HZ3 TRP 24 HZ3 TRP 24 8.186 9.220 8.270
171 HH2 TRP 24 HH2 TRP 24 9.184 10.920 6.825
172 H ALA 25 HN ALA 25 10.959 11.918 13.677
173 HA ALA 25 HA ALA 25 8.178 11.440 14.490
174 1HB ALA 25 1HB ALA 25 9.022 14.019 15.375
175 2HB ALA 25 2HB ALA 25 8.538 12.621 16.365
176 3HB ALA 25 3HB ALA 25 10.246 12.846 15.916
177 H CYS 26 HN CYS 26 6.627 12.633 13.364
178 HA CYS 26 HA CYS 26 7.151 13.372 10.813
179 1HB CYS 26 1HB CYS 26 4.916 13.040 12.049
180 2HB CYS 26 2HB CYS 26 5.022 14.743 12.445
181 HA PRO 27 HA PRO 27 9.935 16.824 11.555
182 1HB PRO 27 1HB PRO 27 9.279 17.031 8.590
183 2HB PRO 27 2HB PRO 27 10.848 17.173 9.448
184 1HG PRO 27 1HG PRO 27 10.260 14.719 8.248
185 2HG PRO 27 2HG PRO 27 11.001 14.938 9.868
186 1HD PRO 27 HD2 PRO 27 8.077 14.421 9.102
187 2HD PRO 27 HD3 PRO 27 9.071 13.592 10.339
188 H VAL 28 HN VAL 28 6.614 16.751 10.324
189 HA VAL 28 HA VAL 28 6.462 19.634 10.211
190 HB VAL 28 HB VAL 28 4.429 17.425 9.857
191 1HG1 VAL 28 1HG1 VAL 28 3.282 19.567 8.673
192 2HG1 VAL 28 2HG1 VAL 28 2.963 19.086 10.357
193 3HG1 VAL 28 3HG1 VAL 28 4.136 20.378 10.008
194 1HG2 VAL 28 1HG2 VAL 28 4.562 18.436 7.439
195 2HG2 VAL 28 2HG2 VAL 28 6.153 19.021 7.982
196 3HG2 VAL 28 3HG2 VAL 28 5.795 17.277 7.993
197 H CYS 29 HN CYS 29 3.967 17.565 11.714
198 HA CYS 29 HA CYS 29 3.540 19.345 13.788
199 1HB CYS 29 1HB CYS 29 2.245 17.497 14.827
200 2HB CYS 29 2HB CYS 29 1.812 17.852 13.166
201 H GLY 30 HN GLY 30 5.441 16.264 13.581
202 1HA GLY 30 HA1 GLY 30 7.579 16.231 14.710
203 2HA GLY 30 HA2 GLY 30 6.844 17.083 16.053
204 H ALA 31 HN ALA 31 4.292 15.287 15.405
205 HA ALA 31 HA ALA 31 4.512 13.553 17.486
206 1HB ALA 31 1HB ALA 31 2.977 12.632 15.092
207 2HB ALA 31 2HB ALA 31 2.459 12.803 16.788
208 3HB ALA 31 3HB ALA 31 2.573 14.239 15.741
209 H SER 32 HN SER 32 4.656 11.119 17.485
210 HA SER 32 HA SER 32 7.082 10.385 16.297
211 1HB SER 32 1HB SER 32 6.644 8.171 17.315
212 2HB SER 32 2HB SER 32 6.336 9.465 18.454
213 HG SER 32 HG SER 32 3.997 9.144 17.299
214 H LYS 33 HN LYS 33 7.133 8.050 15.113
215 HA LYS 33 HA LYS 33 5.475 8.413 12.763
216 1HB LYS 33 1HB LYS 33 7.073 7.223 11.610
217 2HB LYS 33 2HB LYS 33 8.048 7.983 12.852
218 1HG LYS 33 1HG LYS 33 6.989 5.120 12.856
219 2HG LYS 33 2HG LYS 33 8.662 5.619 12.706
220 1HD LYS 33 HD2 LYS 33 8.543 6.633 15.009
221 2HD LYS 33 HD3 LYS 33 6.890 6.067 15.156
222 1HE LYS 33 2HE LYS 33 8.886 3.984 14.362
223 2HE LYS 33 3HE LYS 33 9.081 4.628 15.979
224 1HZ LYS 33 HZ1 LYS 33 6.416 3.753 15.054
225 2HZ LYS 33 HZ2 LYS 33 7.473 2.667 15.650
226 H ASP 34 HN ASP 34 4.626 7.329 15.587
227 HA ASP 34 HA ASP 34 3.879 4.657 14.905
228 1HB ASP 34 1HB ASP 34 2.973 4.550 17.145
229 2HB ASP 34 2HB ASP 34 4.500 5.405 17.244
230 HD2 ASP 34 HD2 ASP 34 1.506 6.535 18.969
231 H ALA 35 HN ALA 35 2.629 7.938 14.722
232 HA ALA 35 HA ALA 35 -0.139 7.151 14.643
233 1HB ALA 35 1HB ALA 35 -0.275 9.668 13.910
234 2HB ALA 35 2HB ALA 35 0.177 9.268 15.584
235 3HB ALA 35 3HB ALA 35 1.433 9.716 14.406
236 H PHE 36 HN PHE 36 2.494 6.900 12.540
237 HA PHE 36 HA PHE 36 1.072 7.599 10.142
238 1HB PHE 36 1HB PHE 36 3.752 6.342 10.931
239 2HB PHE 36 2HB PHE 36 3.271 6.386 9.246
240 HD1 PHE 36 HD1 PHE 36 3.072 8.877 12.030
241 HD2 PHE 36 HD2 PHE 36 4.452 8.001 8.114
242 HE1 PHE 36 HE1 PHE 36 3.985 11.206 11.830
243 HE2 PHE 36 HE2 PHE 36 5.366 10.330 7.915
244 HZ PHE 36 HZ PHE 36 5.122 11.905 9.776
245 H GLU 37 HN GLU 37 0.110 6.207 8.663
246 HA GLU 37 HA GLU 37 0.478 3.392 8.999
247 1HB GLU 37 1HB GLU 37 -1.509 4.384 10.533
248 2HB GLU 37 2HB GLU 37 -2.406 4.238 9.035
249 1HG GLU 37 1HG GLU 37 -2.287 1.918 9.015
250 2HG GLU 37 2HG GLU 37 -0.716 1.879 9.790
251 HE2 GLU 37 HE2 GLU 37 -2.458 0.895 12.621
252 H LYS 38 HN LYS 38 -0.392 2.158 7.147
253 HA LYS 38 HA LYS 38 0.073 3.277 4.733
254 1HB LYS 38 1HB LYS 38 -0.107 0.886 5.085
255 2HB LYS 38 2HB LYS 38 -1.817 1.016 5.442
256 1HG LYS 38 1HG LYS 38 -2.252 1.866 3.141
257 2HG LYS 38 2HG LYS 38 -0.539 1.796 2.778
258 1HD LYS 38 HD2 LYS 38 -0.529 -0.656 3.098
259 2HD LYS 38 HD3 LYS 38 -2.207 -0.628 3.601
260 1HE LYS 38 2HE LYS 38 -2.618 -1.087 1.388
261 2HE LYS 38 3HE LYS 38 -2.443 0.646 1.191
262 1HZ LYS 38 HZ1 LYS 38 -0.885 -1.256 -0.017
263 2HZ LYS 38 HZ2 LYS 38 -0.543 0.335 0.045
264 H GLN 39 HN GLN 39 -1.081 4.364 3.120
265 HA GLN 39 HA GLN 39 -3.855 4.865 3.532
266 1HB GLN 39 1HB GLN 39 -2.240 6.630 4.835
267 2HB GLN 39 2HB GLN 39 -2.291 7.403 3.262
268 1HG GLN 39 1HG GLN 39 -4.330 8.246 3.775
269 2HG GLN 39 2HG GLN 39 -4.973 6.615 3.799
270 1HE2 GLN 39 1HE2 GLN 39 -6.339 7.933 5.384
271 2HE2 GLN 39 2HE2 GLN 39 -5.894 7.847 7.056
Start of MODEL 5
1 1H MET 1 HN MET 1 5.995 -1.559 2.297
2 HA MET 1 HA MET 1 6.141 0.580 2.698
3 1HB MET 1 1HB MET 1 9.003 0.280 1.632
4 2HB MET 1 2HB MET 1 8.394 1.772 2.322
5 1HG MET 1 1HG MET 1 9.039 0.973 4.353
6 2HG MET 1 2HG MET 1 7.700 -0.151 4.249
7 1HE MET 1 1HE MET 1 11.768 -1.003 4.922
8 2HE MET 1 2HE MET 1 11.911 -0.208 3.336
9 3HE MET 1 3HE MET 1 11.004 0.581 4.647
10 H ASP 2 HN ASP 2 4.830 1.817 1.430
11 HA ASP 2 HA ASP 2 5.713 2.196 -1.323
12 1HB ASP 2 1HB ASP 2 3.532 0.818 -0.813
13 2HB ASP 2 2HB ASP 2 2.819 2.367 -0.409
14 HD2 ASP 2 HD2 ASP 2 1.887 2.571 -3.698
15 H ILE 3 HN ILE 3 3.450 3.510 1.227
16 HA ILE 3 HA ILE 3 4.686 6.108 0.971
17 HB ILE 3 HB ILE 3 1.905 5.502 0.040
18 1HG1 ILE 3 2HG1 ILE 3 4.169 7.222 -1.010
19 2HG1 ILE 3 3HG1 ILE 3 3.645 5.675 -1.645
20 1HG2 ILE 3 1HG2 ILE 3 1.272 7.104 1.565
21 2HG2 ILE 3 2HG2 ILE 3 2.830 7.962 1.483
22 3HG2 ILE 3 3HG2 ILE 3 1.662 8.108 0.148
23 1HD1 ILE 3 1HD1 ILE 3 2.451 8.366 -2.005
24 2HD1 ILE 3 2HD1 ILE 3 2.352 6.929 -3.050
25 3HD1 ILE 3 3HD1 ILE 3 1.265 7.087 -1.649
26 H TYR 4 HN TYR 4 4.469 7.328 2.796
27 HA TYR 4 HA TYR 4 2.927 6.093 5.026
28 1HB TYR 4 1HB TYR 4 5.749 7.190 4.972
29 2HB TYR 4 2HB TYR 4 4.830 7.000 6.477
30 HD1 TYR 4 HD1 TYR 4 3.807 4.616 6.898
31 HD2 TYR 4 HD2 TYR 4 7.053 5.425 4.204
32 HE1 TYR 4 HE1 TYR 4 4.507 2.240 7.027
33 HE2 TYR 4 HE2 TYR 4 7.753 3.050 4.333
34 HH TYR 4 HH TYR 4 6.559 0.842 6.657
35 H VAL 5 HN VAL 5 1.179 7.525 5.183
36 HA VAL 5 HA VAL 5 1.908 10.370 5.234
37 HB VAL 5 HB VAL 5 -0.778 9.085 4.705
38 1HG1 VAL 5 1HG1 VAL 5 -0.078 11.891 3.922
39 2HG1 VAL 5 2HG1 VAL 5 -1.651 11.182 4.360
40 3HG1 VAL 5 3HG1 VAL 5 -0.457 11.551 5.628
41 1HG2 VAL 5 1HG2 VAL 5 0.357 8.476 2.795
42 2HG2 VAL 5 2HG2 VAL 5 -0.206 10.100 2.330
43 3HG2 VAL 5 3HG2 VAL 5 1.471 9.863 2.879
44 H CYS 6 HN CYS 6 1.646 11.505 7.107
45 HA CYS 6 HA CYS 6 1.147 10.096 9.469
46 1HB CYS 6 1HB CYS 6 2.532 12.200 9.143
47 2HB CYS 6 2HB CYS 6 1.025 13.094 9.128
48 H THR 7 HN THR 7 -0.705 10.214 10.908
49 HA THR 7 HA THR 7 -3.177 10.975 9.501
50 HB THR 7 HB THR 7 -4.220 9.242 10.964
51 HG1 THR 7 HG1 THR 7 -2.618 9.632 12.717
52 1HG2 THR 7 1HG2 THR 7 -2.682 7.229 10.305
53 2HG2 THR 7 2HG2 THR 7 -3.388 8.181 8.978
54 3HG2 THR 7 3HG2 THR 7 -1.694 8.441 9.455
55 H VAL 8 HN VAL 8 -1.143 12.597 11.238
56 HA VAL 8 HA VAL 8 -3.137 13.505 13.196
57 HB VAL 8 HB VAL 8 -0.119 13.614 13.172
58 1HG1 VAL 8 1HG1 VAL 8 -1.177 14.549 15.651
59 2HG1 VAL 8 2HG1 VAL 8 -0.162 15.421 14.476
60 3HG1 VAL 8 3HG1 VAL 8 -1.936 15.488 14.343
61 1HG2 VAL 8 1HG2 VAL 8 -1.333 11.491 13.881
62 2HG2 VAL 8 2HG2 VAL 8 -0.203 12.188 15.066
63 3HG2 VAL 8 3HG2 VAL 8 -1.957 12.423 15.262
64 H CYS 9 HN CYS 9 -0.568 14.587 10.875
65 HA CYS 9 HA CYS 9 -1.975 17.148 10.752
66 1HB CYS 9 1HB CYS 9 0.179 17.927 9.649
67 2HB CYS 9 2HB CYS 9 0.211 17.613 11.373
68 H GLY 10 HN GLY 10 -1.033 14.195 9.076
69 1HA GLY 10 HA1 GLY 10 -2.068 13.421 7.155
70 2HA GLY 10 HA2 GLY 10 -2.550 15.051 6.731
71 H TYR 11 HN TYR 11 0.679 14.780 7.855
72 HA TYR 11 HA TYR 11 1.884 15.811 5.554
73 1HB TYR 11 1HB TYR 11 2.861 15.705 7.847
74 2HB TYR 11 2HB TYR 11 3.120 13.966 7.625
75 HD1 TYR 11 HD1 TYR 11 5.370 13.507 7.359
76 HD2 TYR 11 HD2 TYR 11 3.707 16.968 5.434
77 HE1 TYR 11 HE1 TYR 11 7.562 13.968 6.295
78 HE2 TYR 11 HE2 TYR 11 5.899 17.429 4.370
79 HH TYR 11 HH TYR 11 8.079 16.785 4.154
80 H GLU 12 HN GLU 12 3.445 14.727 4.009
81 HA GLU 12 HA GLU 12 2.611 11.972 3.551
82 1HB GLU 12 1HB GLU 12 2.534 14.317 1.725
83 2HB GLU 12 2HB GLU 12 3.233 12.874 1.019
84 1HG GLU 12 1HG GLU 12 1.126 11.653 2.062
85 2HG GLU 12 2HG GLU 12 0.442 13.265 2.138
86 HE2 GLU 12 HE2 GLU 12 -0.420 11.195 0.514
87 H TYR 13 HN TYR 13 4.216 10.544 3.216
88 HA TYR 13 HA TYR 13 6.987 11.633 3.058
89 1HB TYR 13 1HB TYR 13 6.413 10.436 5.150
90 2HB TYR 13 2HB TYR 13 5.978 9.005 4.199
91 HD1 TYR 13 HD1 TYR 13 7.567 7.342 3.944
92 HD2 TYR 13 HD2 TYR 13 8.863 11.378 4.642
93 HE1 TYR 13 HE1 TYR 13 9.923 6.571 4.025
94 HE2 TYR 13 HE2 TYR 13 11.219 10.607 4.723
95 HH TYR 13 HH TYR 13 12.643 8.784 4.134
96 H ASP 14 HN ASP 14 8.574 10.272 1.797
97 HA ASP 14 HA ASP 14 7.184 8.657 -0.183
98 1HB ASP 14 1HB ASP 14 7.927 11.092 -0.895
99 2HB ASP 14 2HB ASP 14 9.546 10.420 -0.911
100 HD2 ASP 14 HD2 ASP 14 9.502 10.641 -3.476
101 HA PRO 15 HA PRO 15 10.253 6.022 2.021
102 1HB PRO 15 1HB PRO 15 9.129 4.352 -0.273
103 2HB PRO 15 2HB PRO 15 9.541 3.885 1.410
104 1HG PRO 15 1HG PRO 15 7.052 4.492 0.647
105 2HG PRO 15 2HG PRO 15 7.498 4.908 2.334
106 1HD PRO 15 HD2 PRO 15 6.991 6.675 -0.007
107 2HD PRO 15 HD3 PRO 15 7.133 7.113 1.723
108 H ALA 16 HN ALA 16 12.197 7.163 1.363
109 HA ALA 16 HA ALA 16 13.675 5.901 -0.630
110 1HB ALA 16 1HB ALA 16 13.791 7.707 -2.315
111 2HB ALA 16 2HB ALA 16 12.144 7.044 -2.186
112 3HB ALA 16 3HB ALA 16 12.535 8.609 -1.434
113 H PHE 17 HN PHE 17 14.695 6.020 1.626
114 HA PHE 17 HA PHE 17 16.529 8.258 1.593
115 1HB PHE 17 1HB PHE 17 14.417 7.606 3.678
116 2HB PHE 17 2HB PHE 17 15.967 8.168 4.269
117 HD1 PHE 17 HD1 PHE 17 13.210 9.090 1.952
118 HD2 PHE 17 HD2 PHE 17 16.437 10.454 4.346
119 HE1 PHE 17 HE1 PHE 17 12.502 11.465 1.554
120 HE2 PHE 17 HE2 PHE 17 15.728 12.829 3.949
121 HZ PHE 17 HZ PHE 17 13.769 13.306 2.557
122 H GLU 18 HN GLU 18 17.866 7.825 3.976
123 HA GLU 18 HA GLU 18 18.409 4.977 4.015
124 1HB GLU 18 1HB GLU 18 20.042 5.912 2.435
125 2HB GLU 18 2HB GLU 18 20.509 7.146 3.589
126 1HG GLU 18 1HG GLU 18 20.805 4.752 5.037
127 2HG GLU 18 2HG GLU 18 21.349 4.323 3.428
128 HE2 GLU 18 HE2 GLU 18 22.190 6.987 5.850
129 H ASP 19 HN ASP 19 16.914 5.936 5.973
130 HA ASP 19 HA ASP 19 18.432 5.569 8.234
131 1HB ASP 19 1HB ASP 19 18.629 8.231 7.283
132 2HB ASP 19 2HB ASP 19 17.457 8.318 8.583
133 HD2 ASP 19 HD2 ASP 19 18.286 6.916 10.457
134 H LEU 20 HN LEU 20 16.617 4.223 8.766
135 HA LEU 20 HA LEU 20 14.214 5.705 9.519
136 1HB LEU 20 1HB LEU 20 14.106 4.502 7.216
137 2HB LEU 20 2HB LEU 20 13.995 3.035 8.168
138 HG LEU 20 HG LEU 20 12.107 5.354 8.596
139 1HD1 LEU 20 1HD1 LEU 20 12.124 3.324 6.418
140 2HD1 LEU 20 2HD1 LEU 20 10.563 3.695 7.189
141 3HD1 LEU 20 3HD1 LEU 20 11.513 4.995 6.433
142 1HD2 LEU 20 1HD2 LEU 20 10.687 3.178 9.219
143 2HD2 LEU 20 2HD2 LEU 20 12.317 2.546 9.555
144 3HD2 LEU 20 3HD2 LEU 20 11.742 4.010 10.388
145 HA PRO 21 HA PRO 21 15.658 3.073 12.933
146 1HB PRO 21 1HB PRO 21 15.691 5.001 14.848
147 2HB PRO 21 2HB PRO 21 16.985 4.885 13.611
148 1HG PRO 21 1HG PRO 21 14.657 6.756 13.676
149 2HG PRO 21 2HG PRO 21 16.368 7.044 13.218
150 1HD PRO 21 HD2 PRO 21 14.216 6.552 11.434
151 2HD PRO 21 HD3 PRO 21 15.948 6.343 11.038
152 H ASP 22 HN ASP 22 14.503 2.927 15.277
153 HA ASP 22 HA ASP 22 11.699 2.875 14.626
154 1HB ASP 22 1HB ASP 22 11.643 1.696 16.962
155 2HB ASP 22 2HB ASP 22 12.357 0.840 15.610
156 HD2 ASP 22 HD2 ASP 22 15.326 0.440 17.058
157 H ASP 23 HN ASP 23 12.265 5.488 14.818
158 HA ASP 23 HA ASP 23 10.819 6.356 17.007
159 1HB ASP 23 1HB ASP 23 13.278 5.802 17.923
160 2HB ASP 23 2HB ASP 23 13.664 7.356 17.213
161 HD2 ASP 23 HD2 ASP 23 13.618 8.600 19.704
162 H TRP 24 HN TRP 24 10.258 6.955 14.516
163 HA TRP 24 HA TRP 24 11.716 9.369 13.733
164 1HB TRP 24 1HB TRP 24 11.292 7.358 12.172
165 2HB TRP 24 2HB TRP 24 9.641 7.940 12.091
166 HD1 TRP 24 HD1 TRP 24 13.016 9.922 11.833
167 HE1 TRP 24 HE1 TRP 24 13.022 11.446 9.680
168 HE3 TRP 24 HE3 TRP 24 8.452 8.451 10.142
169 HZ2 TRP 24 HZ2 TRP 24 11.158 11.855 7.557
170 HZ3 TRP 24 HZ3 TRP 24 7.619 9.462 8.021
171 HH2 TRP 24 HH2 TRP 24 8.893 11.109 6.740
172 H ALA 25 HN ALA 25 10.662 11.379 13.654
173 HA ALA 25 HA ALA 25 7.864 11.361 14.556
174 1HB ALA 25 1HB ALA 25 8.995 12.089 16.470
175 2HB ALA 25 2HB ALA 25 10.251 12.930 15.532
176 3HB ALA 25 3HB ALA 25 8.617 13.622 15.651
177 H CYS 26 HN CYS 26 6.471 12.725 13.445
178 HA CYS 26 HA CYS 26 7.102 13.440 10.884
179 1HB CYS 26 1HB CYS 26 4.829 13.309 12.247
180 2HB CYS 26 2HB CYS 26 5.061 15.041 12.365
181 HA PRO 27 HA PRO 27 9.629 17.033 11.470
182 1HB PRO 27 1HB PRO 27 9.743 17.881 8.901
183 2HB PRO 27 2HB PRO 27 10.459 16.310 9.390
184 1HG PRO 27 1HG PRO 27 7.536 16.567 8.081
185 2HG PRO 27 2HG PRO 27 9.047 15.685 7.690
186 1HD PRO 27 HD2 PRO 27 7.024 14.686 9.332
187 2HD PRO 27 HD3 PRO 27 8.745 14.229 9.507
188 H VAL 28 HN VAL 28 6.269 16.947 10.968
189 HA VAL 28 HA VAL 28 6.172 19.882 10.862
190 HB VAL 28 HB VAL 28 4.083 17.852 10.049
191 1HG1 VAL 28 1HG1 VAL 28 3.742 20.510 10.838
192 2HG1 VAL 28 2HG1 VAL 28 3.735 20.569 9.060
193 3HG1 VAL 28 3HG1 VAL 28 2.590 19.512 9.920
194 1HG2 VAL 28 1HG2 VAL 28 5.264 17.684 8.154
195 2HG2 VAL 28 2HG2 VAL 28 4.781 19.364 7.818
196 3HG2 VAL 28 3HG2 VAL 28 6.338 19.027 8.612
197 H CYS 29 HN CYS 29 3.499 17.707 11.759
198 HA CYS 29 HA CYS 29 2.720 19.070 13.944
199 1HB CYS 29 1HB CYS 29 1.609 17.030 14.704
200 2HB CYS 29 2HB CYS 29 1.391 17.313 12.989
201 H GLY 30 HN GLY 30 5.196 16.443 13.709
202 1HA GLY 30 HA1 GLY 30 7.095 16.261 14.992
203 2HA GLY 30 HA2 GLY 30 6.471 17.447 16.123
204 H ALA 31 HN ALA 31 4.599 14.619 14.948
205 HA ALA 31 HA ALA 31 4.422 13.716 17.713
206 1HB ALA 31 1HB ALA 31 2.476 14.129 15.936
207 2HB ALA 31 2HB ALA 31 2.899 12.472 15.443
208 3HB ALA 31 3HB ALA 31 2.385 12.800 17.116
209 H SER 32 HN SER 32 4.500 11.288 18.087
210 HA SER 32 HA SER 32 6.946 10.354 17.093
211 1HB SER 32 1HB SER 32 6.392 8.291 18.397
212 2HB SER 32 2HB SER 32 6.204 9.761 19.335
213 HG SER 32 HG SER 32 4.029 9.527 19.381
214 H LYS 33 HN LYS 33 7.325 8.365 15.820
215 HA LYS 33 HA LYS 33 6.100 8.244 13.444
216 1HB LYS 33 1HB LYS 33 8.158 7.058 13.982
217 2HB LYS 33 2HB LYS 33 7.291 5.940 15.016
218 1HG LYS 33 1HG LYS 33 6.151 6.147 12.282
219 2HG LYS 33 2HG LYS 33 7.802 5.562 12.305
220 1HD LYS 33 HD2 LYS 33 7.017 3.929 14.179
221 2HD LYS 33 HD3 LYS 33 5.385 4.368 13.718
222 1HE LYS 33 2HE LYS 33 5.905 3.680 11.342
223 2HE LYS 33 3HE LYS 33 7.498 3.167 11.864
224 1HZ LYS 33 HZ1 LYS 33 6.093 1.260 11.923
225 2HZ LYS 33 HZ2 LYS 33 6.302 1.666 13.486
226 H ASP 34 HN ASP 34 5.152 6.317 16.367
227 HA ASP 34 HA ASP 34 3.184 4.849 15.329
228 1HB ASP 34 1HB ASP 34 2.000 5.548 17.684
229 2HB ASP 34 2HB ASP 34 3.335 4.417 17.576
230 HD2 ASP 34 HD2 ASP 34 3.870 7.269 19.978
231 H ALA 35 HN ALA 35 1.889 5.832 13.679
232 HA ALA 35 HA ALA 35 -0.437 7.011 14.227
233 1HB ALA 35 1HB ALA 35 0.086 9.024 15.131
234 2HB ALA 35 2HB ALA 35 1.763 8.960 14.539
235 3HB ALA 35 3HB ALA 35 0.458 9.504 13.458
236 H PHE 36 HN PHE 36 2.453 6.841 12.189
237 HA PHE 36 HA PHE 36 1.102 7.634 9.809
238 1HB PHE 36 1HB PHE 36 3.735 6.301 10.613
239 2HB PHE 36 2HB PHE 36 3.317 6.424 8.916
240 HD1 PHE 36 HD1 PHE 36 3.622 8.559 11.960
241 HD2 PHE 36 HD2 PHE 36 3.966 8.307 7.738
242 HE1 PHE 36 HE1 PHE 36 4.561 10.886 11.897
243 HE2 PHE 36 HE2 PHE 36 4.906 10.634 7.675
244 HZ PHE 36 HZ PHE 36 5.192 11.895 9.756
245 H GLU 37 HN GLU 37 0.262 6.350 8.140
246 HA GLU 37 HA GLU 37 0.437 3.491 8.491
247 1HB GLU 37 1HB GLU 37 -1.798 4.817 9.456
248 2HB GLU 37 2HB GLU 37 -2.313 4.391 7.837
249 1HG GLU 37 1HG GLU 37 -2.660 2.253 8.499
250 2HG GLU 37 2HG GLU 37 -0.962 2.094 8.902
251 HE2 GLU 37 HE2 GLU 37 -4.088 2.616 10.429
252 H LYS 38 HN LYS 38 0.050 2.301 6.505
253 HA LYS 38 HA LYS 38 0.952 3.546 4.228
254 1HB LYS 38 1HB LYS 38 1.048 1.142 4.576
255 2HB LYS 38 2HB LYS 38 -0.700 1.024 4.548
256 1HG LYS 38 1HG LYS 38 -0.234 2.341 2.165
257 2HG LYS 38 2HG LYS 38 1.213 1.359 2.285
258 1HD LYS 38 HD2 LYS 38 -0.265 -0.667 2.700
259 2HD LYS 38 HD3 LYS 38 -1.667 0.347 2.419
260 1HE LYS 38 2HE LYS 38 0.053 0.848 0.212
261 2HE LYS 38 3HE LYS 38 0.141 -0.883 0.470
262 1HZ LYS 38 HZ1 LYS 38 -2.552 -0.025 0.691
263 2HZ LYS 38 HZ2 LYS 38 -1.943 0.503 -0.725
264 H GLN 39 HN GLN 39 0.010 4.527 2.433
265 HA GLN 39 HA GLN 39 -2.871 4.712 2.435
266 1HB GLN 39 1HB GLN 39 -1.961 6.690 3.732
267 2HB GLN 39 2HB GLN 39 -1.105 7.193 2.289
268 1HG GLN 39 1HG GLN 39 -3.822 6.682 1.507
269 2HG GLN 39 2HG GLN 39 -3.888 7.621 2.985
270 1HE2 GLN 39 1HE2 GLN 39 -4.842 9.184 1.472
271 2HE2 GLN 39 2HE2 GLN 39 -3.806 10.283 0.624
Start of MODEL 6
1 1H MET 1 HN MET 1 -0.374 -0.215 -0.777
2 HA MET 1 HA MET 1 1.556 0.909 -2.653
3 1HB MET 1 1HB MET 1 -0.686 2.273 -1.076
4 2HB MET 1 2HB MET 1 0.658 3.189 -1.729
5 1HG MET 1 1HG MET 1 -0.949 1.332 -3.521
6 2HG MET 1 2HG MET 1 -1.530 2.947 -3.171
7 1HE MET 1 1HE MET 1 -0.244 3.479 -6.677
8 2HE MET 1 2HE MET 1 -0.252 1.732 -6.338
9 3HE MET 1 3HE MET 1 -1.546 2.770 -5.691
10 H ASP 2 HN ASP 2 3.261 2.241 -1.661
11 HA ASP 2 HA ASP 2 3.605 1.511 1.140
12 1HB ASP 2 1HB ASP 2 6.101 2.004 0.566
13 2HB ASP 2 2HB ASP 2 5.399 0.506 -0.014
14 HD2 ASP 2 HD2 ASP 2 6.931 3.320 -0.967
15 H ILE 3 HN ILE 3 2.482 3.471 1.886
16 HA ILE 3 HA ILE 3 4.144 5.852 1.626
17 HB ILE 3 HB ILE 3 1.289 5.583 0.780
18 1HG1 ILE 3 2HG1 ILE 3 3.344 7.436 -0.384
19 2HG1 ILE 3 3HG1 ILE 3 3.462 5.718 -0.707
20 1HG2 ILE 3 1HG2 ILE 3 2.516 8.174 1.763
21 2HG2 ILE 3 2HG2 ILE 3 0.901 7.955 1.048
22 3HG2 ILE 3 3HG2 ILE 3 1.281 7.226 2.627
23 1HD1 ILE 3 1HD1 ILE 3 1.298 7.658 -1.508
24 2HD1 ILE 3 2HD1 ILE 3 2.092 6.390 -2.471
25 3HD1 ILE 3 3HD1 ILE 3 0.863 5.950 -1.262
26 H TYR 4 HN TYR 4 4.165 7.124 3.426
27 HA TYR 4 HA TYR 4 2.723 6.007 5.786
28 1HB TYR 4 1HB TYR 4 5.474 7.173 5.401
29 2HB TYR 4 2HB TYR 4 4.684 7.258 6.986
30 HD1 TYR 4 HD1 TYR 4 3.682 4.966 7.859
31 HD2 TYR 4 HD2 TYR 4 6.777 5.321 4.902
32 HE1 TYR 4 HE1 TYR 4 4.418 2.648 8.351
33 HE2 TYR 4 HE2 TYR 4 7.513 3.004 5.394
34 HH TYR 4 HH TYR 4 6.019 1.043 7.970
35 H VAL 5 HN VAL 5 0.899 7.505 4.890
36 HA VAL 5 HA VAL 5 1.407 10.308 5.117
37 HB VAL 5 HB VAL 5 -1.098 8.654 4.772
38 1HG1 VAL 5 1HG1 VAL 5 -1.896 10.627 5.771
39 2HG1 VAL 5 2HG1 VAL 5 -0.715 11.648 4.916
40 3HG1 VAL 5 3HG1 VAL 5 -2.070 10.918 4.023
41 1HG2 VAL 5 1HG2 VAL 5 -0.656 10.241 2.514
42 2HG2 VAL 5 2HG2 VAL 5 0.959 9.642 2.963
43 3HG2 VAL 5 3HG2 VAL 5 -0.365 8.491 2.665
44 H CYS 6 HN CYS 6 1.581 11.397 6.998
45 HA CYS 6 HA CYS 6 1.190 10.249 9.459
46 1HB CYS 6 1HB CYS 6 2.506 12.317 8.910
47 2HB CYS 6 2HB CYS 6 0.996 13.201 8.838
48 H THR 7 HN THR 7 -0.517 10.633 11.097
49 HA THR 7 HA THR 7 -3.129 11.131 9.828
50 HB THR 7 HB THR 7 -3.915 9.629 11.778
51 HG1 THR 7 HG1 THR 7 -1.920 9.911 13.016
52 1HG2 THR 7 1HG2 THR 7 -2.107 7.730 10.600
53 2HG2 THR 7 2HG2 THR 7 -3.826 7.971 10.210
54 3HG2 THR 7 3HG2 THR 7 -2.577 8.870 9.317
55 H VAL 8 HN VAL 8 -0.976 12.950 11.215
56 HA VAL 8 HA VAL 8 -2.830 14.055 13.208
57 HB VAL 8 HB VAL 8 0.175 14.247 12.937
58 1HG1 VAL 8 1HG1 VAL 8 -0.171 15.383 15.285
59 2HG1 VAL 8 2HG1 VAL 8 -0.311 16.339 13.791
60 3HG1 VAL 8 3HG1 VAL 8 -1.778 15.780 14.629
61 1HG2 VAL 8 1HG2 VAL 8 -1.537 12.371 14.249
62 2HG2 VAL 8 2HG2 VAL 8 0.241 12.454 14.257
63 3HG2 VAL 8 3HG2 VAL 8 -0.697 13.324 15.495
64 H CYS 9 HN CYS 9 -0.391 14.954 10.669
65 HA CYS 9 HA CYS 9 -1.920 17.423 10.311
66 1HB CYS 9 1HB CYS 9 0.268 18.035 8.996
67 2HB CYS 9 2HB CYS 9 0.162 18.212 10.736
68 H GLY 10 HN GLY 10 -1.026 14.319 9.004
69 1HA GLY 10 HA1 GLY 10 -2.060 13.340 7.181
70 2HA GLY 10 HA2 GLY 10 -2.490 14.918 6.549
71 H TYR 11 HN TYR 11 0.703 14.848 7.706
72 HA TYR 11 HA TYR 11 2.025 15.579 5.445
73 1HB TYR 11 1HB TYR 11 2.980 15.335 7.739
74 2HB TYR 11 2HB TYR 11 3.071 13.584 7.481
75 HD1 TYR 11 HD1 TYR 11 5.369 13.125 7.472
76 HD2 TYR 11 HD2 TYR 11 3.844 16.352 5.081
77 HE1 TYR 11 HE1 TYR 11 7.596 13.395 6.416
78 HE2 TYR 11 HE2 TYR 11 6.071 16.622 4.025
79 HH TYR 11 HH TYR 11 8.243 14.812 3.683
80 H GLU 12 HN GLU 12 3.364 14.428 3.803
81 HA GLU 12 HA GLU 12 2.369 11.722 3.378
82 1HB GLU 12 1HB GLU 12 2.243 14.086 1.590
83 2HB GLU 12 2HB GLU 12 2.875 12.646 0.815
84 1HG GLU 12 1HG GLU 12 0.886 11.353 1.472
85 2HG GLU 12 2HG GLU 12 0.279 12.693 2.424
86 HE2 GLU 12 HE2 GLU 12 0.870 11.740 -0.905
87 H TYR 13 HN TYR 13 4.020 10.384 3.617
88 HA TYR 13 HA TYR 13 6.749 11.308 2.907
89 1HB TYR 13 1HB TYR 13 6.369 10.474 5.195
90 2HB TYR 13 2HB TYR 13 5.781 8.937 4.539
91 HD1 TYR 13 HD1 TYR 13 7.265 7.166 4.332
92 HD2 TYR 13 HD2 TYR 13 8.790 11.182 4.384
93 HE1 TYR 13 HE1 TYR 13 9.584 6.286 4.312
94 HE2 TYR 13 HE2 TYR 13 11.109 10.301 4.364
95 HH TYR 13 HH TYR 13 11.825 6.834 4.598
96 H ASP 14 HN ASP 14 8.203 9.739 1.739
97 HA ASP 14 HA ASP 14 6.629 7.874 0.157
98 1HB ASP 14 1HB ASP 14 7.345 10.151 -0.981
99 2HB ASP 14 2HB ASP 14 8.946 9.439 -1.026
100 HD2 ASP 14 HD2 ASP 14 6.469 9.936 -2.894
101 HA PRO 15 HA PRO 15 9.801 5.486 2.477
102 1HB PRO 15 1HB PRO 15 8.527 3.579 0.459
103 2HB PRO 15 2HB PRO 15 9.055 3.293 2.149
104 1HG PRO 15 1HG PRO 15 6.498 3.868 1.550
105 2HG PRO 15 2HG PRO 15 7.102 4.496 3.119
106 1HD PRO 15 HD2 PRO 15 6.429 5.940 0.599
107 2HD PRO 15 HD3 PRO 15 6.702 6.603 2.239
108 H ALA 16 HN ALA 16 11.829 6.241 1.719
109 HA ALA 16 HA ALA 16 13.255 4.860 -0.076
110 1HB ALA 16 1HB ALA 16 12.332 5.256 -2.096
111 2HB ALA 16 2HB ALA 16 11.307 6.562 -1.456
112 3HB ALA 16 3HB ALA 16 12.981 6.907 -1.949
113 H PHE 17 HN PHE 17 14.287 5.672 2.038
114 HA PHE 17 HA PHE 17 15.767 8.102 1.372
115 1HB PHE 17 1HB PHE 17 14.195 7.331 3.878
116 2HB PHE 17 2HB PHE 17 15.577 8.397 4.034
117 HD1 PHE 17 HD1 PHE 17 15.211 10.671 3.916
118 HD2 PHE 17 HD2 PHE 17 12.462 8.069 1.998
119 HE1 PHE 17 HE1 PHE 17 13.763 12.635 3.328
120 HE2 PHE 17 HE2 PHE 17 11.013 10.033 1.409
121 HZ PHE 17 HZ PHE 17 11.681 12.292 2.081
122 H GLU 18 HN GLU 18 17.461 8.252 3.534
123 HA GLU 18 HA GLU 18 18.574 5.573 3.749
124 1HB GLU 18 1HB GLU 18 19.726 6.943 1.930
125 2HB GLU 18 2HB GLU 18 20.253 8.052 3.180
126 1HG GLU 18 1HG GLU 18 20.942 5.514 4.199
127 2HG GLU 18 2HG GLU 18 21.302 5.390 2.488
128 HE2 GLU 18 HE2 GLU 18 23.350 6.076 2.093
129 H ASP 19 HN ASP 19 19.005 5.042 5.853
130 HA ASP 19 HA ASP 19 19.693 5.278 7.927
131 1HB ASP 19 1HB ASP 19 20.813 7.545 6.914
132 2HB ASP 19 2HB ASP 19 19.626 8.282 7.972
133 HD2 ASP 19 HD2 ASP 19 22.993 6.870 8.700
134 H LEU 20 HN LEU 20 17.597 4.554 8.648
135 HA LEU 20 HA LEU 20 15.758 6.727 9.377
136 1HB LEU 20 1HB LEU 20 15.020 5.245 7.482
137 2HB LEU 20 2HB LEU 20 14.989 3.910 8.616
138 HG LEU 20 HG LEU 20 13.459 6.291 9.472
139 1HD1 LEU 20 1HD1 LEU 20 13.006 6.387 7.078
140 2HD1 LEU 20 2HD1 LEU 20 12.542 4.669 7.081
141 3HD1 LEU 20 3HD1 LEU 20 11.565 5.857 7.978
142 1HD2 LEU 20 1HD2 LEU 20 12.021 3.784 9.331
143 2HD2 LEU 20 2HD2 LEU 20 13.603 3.572 10.119
144 3HD2 LEU 20 3HD2 LEU 20 12.451 4.776 10.744
145 HA PRO 21 HA PRO 21 17.597 5.070 13.241
146 1HB PRO 21 1HB PRO 21 16.140 7.597 14.064
147 2HB PRO 21 2HB PRO 21 17.767 6.989 14.511
148 1HG PRO 21 1HG PRO 21 17.605 8.957 12.633
149 2HG PRO 21 2HG PRO 21 18.763 7.586 12.637
150 1HD PRO 21 HD2 PRO 21 16.193 7.994 11.043
151 2HD PRO 21 HD3 PRO 21 17.751 7.291 10.511
152 H ASP 22 HN ASP 22 16.402 4.604 15.405
153 HA ASP 22 HA ASP 22 13.789 3.649 14.670
154 1HB ASP 22 1HB ASP 22 14.734 3.196 17.446
155 2HB ASP 22 2HB ASP 22 14.113 2.042 16.282
156 HD2 ASP 22 HD2 ASP 22 17.222 1.304 17.416
157 H ASP 23 HN ASP 23 14.075 6.525 14.943
158 HA ASP 23 HA ASP 23 12.091 6.960 16.918
159 1HB ASP 23 1HB ASP 23 13.614 8.944 17.857
160 2HB ASP 23 2HB ASP 23 13.695 7.337 18.552
161 HD2 ASP 23 HD2 ASP 23 16.690 8.225 16.041
162 H TRP 24 HN TRP 24 11.574 7.318 14.366
163 HA TRP 24 HA TRP 24 12.494 9.901 13.426
164 1HB TRP 24 1HB TRP 24 12.223 7.750 12.030
165 2HB TRP 24 2HB TRP 24 10.508 8.102 12.061
166 HD1 TRP 24 HD1 TRP 24 13.599 10.406 11.326
167 HE1 TRP 24 HE1 TRP 24 13.203 11.789 9.115
168 HE3 TRP 24 HE3 TRP 24 9.034 8.425 10.281
169 HZ2 TRP 24 HZ2 TRP 24 11.072 11.898 7.218
170 HZ3 TRP 24 HZ3 TRP 24 7.863 9.224 8.230
171 HH2 TRP 24 HH2 TRP 24 8.810 10.899 6.723
172 H ALA 25 HN ALA 25 11.170 11.747 13.292
173 HA ALA 25 HA ALA 25 8.456 11.439 14.366
174 1HB ALA 25 1HB ALA 25 8.871 12.841 16.086
175 2HB ALA 25 2HB ALA 25 10.597 12.562 15.751
176 3HB ALA 25 3HB ALA 25 9.772 13.973 15.048
177 H CYS 26 HN CYS 26 6.882 12.628 13.295
178 HA CYS 26 HA CYS 26 7.268 13.330 10.710
179 1HB CYS 26 1HB CYS 26 5.086 13.004 11.831
180 2HB CYS 26 2HB CYS 26 5.262 14.564 12.610
181 HA PRO 27 HA PRO 27 9.650 17.059 10.962
182 1HB PRO 27 1HB PRO 27 9.506 17.808 8.358
183 2HB PRO 27 2HB PRO 27 10.357 16.308 8.850
184 1HG PRO 27 1HG PRO 27 7.324 16.367 7.784
185 2HG PRO 27 2HG PRO 27 8.831 15.530 7.283
186 1HD PRO 27 HD2 PRO 27 7.015 14.501 9.126
187 2HD PRO 27 HD3 PRO 27 8.767 14.141 9.180
188 H VAL 28 HN VAL 28 6.268 16.791 10.724
189 HA VAL 28 HA VAL 28 6.017 19.714 10.539
190 HB VAL 28 HB VAL 28 3.977 17.563 9.932
191 1HG1 VAL 28 1HG1 VAL 28 3.703 20.374 10.494
192 2HG1 VAL 28 2HG1 VAL 28 3.258 20.060 8.800
193 3HG1 VAL 28 3HG1 VAL 28 2.445 19.174 10.113
194 1HG2 VAL 28 1HG2 VAL 28 5.338 17.394 8.093
195 2HG2 VAL 28 2HG2 VAL 28 4.297 18.740 7.570
196 3HG2 VAL 28 3HG2 VAL 28 5.919 19.071 8.225
197 H CYS 29 HN CYS 29 3.497 17.475 11.670
198 HA CYS 29 HA CYS 29 2.843 18.868 13.881
199 1HB CYS 29 1HB CYS 29 1.919 16.730 14.781
200 2HB CYS 29 2HB CYS 29 1.422 17.137 13.151
201 H GLY 30 HN GLY 30 5.323 16.254 13.527
202 1HA GLY 30 HA1 GLY 30 7.374 16.358 14.683
203 2HA GLY 30 HA2 GLY 30 6.606 17.245 15.984
204 H ALA 31 HN ALA 31 4.287 15.021 15.252
205 HA ALA 31 HA ALA 31 4.702 13.505 17.548
206 1HB ALA 31 1HB ALA 31 2.729 13.853 15.539
207 2HB ALA 31 2HB ALA 31 3.099 12.112 15.581
208 3HB ALA 31 3HB ALA 31 2.580 12.948 17.064
209 H SER 32 HN SER 32 4.948 11.048 17.585
210 HA SER 32 HA SER 32 7.363 10.449 16.240
211 1HB SER 32 1HB SER 32 7.125 8.232 17.427
212 2HB SER 32 2HB SER 32 7.060 9.624 18.491
213 HG SER 32 HG SER 32 4.981 9.234 18.963
214 H LYS 33 HN LYS 33 7.481 8.024 15.248
215 HA LYS 33 HA LYS 33 5.628 8.083 13.038
216 1HB LYS 33 1HB LYS 33 7.119 6.613 11.961
217 2HB LYS 33 2HB LYS 33 8.132 7.744 12.833
218 1HG LYS 33 1HG LYS 33 7.514 5.546 14.607
219 2HG LYS 33 2HG LYS 33 8.046 4.875 13.079
220 1HD LYS 33 HD2 LYS 33 10.186 5.775 13.258
221 2HD LYS 33 HD3 LYS 33 9.643 7.181 14.151
222 1HE LYS 33 2HE LYS 33 10.539 6.109 15.966
223 2HE LYS 33 3HE LYS 33 9.044 5.194 15.959
224 1HZ LYS 33 HZ1 LYS 33 10.551 3.852 14.153
225 2HZ LYS 33 HZ2 LYS 33 11.692 4.320 15.217
226 H ASP 34 HN ASP 34 4.098 7.687 15.233
227 HA ASP 34 HA ASP 34 3.706 4.801 15.277
228 1HB ASP 34 1HB ASP 34 4.142 5.871 17.491
229 2HB ASP 34 2HB ASP 34 2.788 6.955 17.240
230 HD2 ASP 34 HD2 ASP 34 0.392 4.951 17.263
231 H ALA 35 HN ALA 35 2.008 8.024 15.381
232 HA ALA 35 HA ALA 35 -0.552 7.059 14.878
233 1HB ALA 35 1HB ALA 35 0.590 9.471 15.485
234 2HB ALA 35 2HB ALA 35 0.156 9.721 13.776
235 3HB ALA 35 3HB ALA 35 -1.097 9.267 14.956
236 H PHE 36 HN PHE 36 2.263 7.456 12.809
237 HA PHE 36 HA PHE 36 0.963 7.750 10.360
238 1HB PHE 36 1HB PHE 36 3.596 6.565 11.377
239 2HB PHE 36 2HB PHE 36 3.233 6.521 9.662
240 HD1 PHE 36 HD1 PHE 36 3.827 8.770 12.528
241 HD2 PHE 36 HD2 PHE 36 3.448 8.468 8.312
242 HE1 PHE 36 HE1 PHE 36 4.721 11.103 12.281
243 HE2 PHE 36 HE2 PHE 36 4.342 10.799 8.065
244 HZ PHE 36 HZ PHE 36 4.967 12.089 10.051
245 H GLU 37 HN GLU 37 0.003 6.327 8.939
246 HA GLU 37 HA GLU 37 0.077 3.529 9.763
247 1HB GLU 37 1HB GLU 37 -2.141 4.494 10.206
248 2HB GLU 37 2HB GLU 37 -2.245 5.102 8.566
249 1HG GLU 37 1HG GLU 37 -3.517 2.957 8.903
250 2HG GLU 37 2HG GLU 37 -2.304 2.844 7.645
251 HE2 GLU 37 HE2 GLU 37 -2.052 -0.078 9.445
252 H LYS 38 HN LYS 38 0.111 1.931 8.050
253 HA LYS 38 HA LYS 38 1.317 2.991 5.636
254 1HB LYS 38 1HB LYS 38 2.125 0.982 7.128
255 2HB LYS 38 2HB LYS 38 0.938 0.067 6.219
256 1HG LYS 38 1HG LYS 38 2.793 1.853 4.656
257 2HG LYS 38 2HG LYS 38 3.479 0.398 5.352
258 1HD LYS 38 HD2 LYS 38 0.870 -0.048 4.002
259 2HD LYS 38 HD3 LYS 38 2.125 0.532 2.926
260 1HE LYS 38 2HE LYS 38 3.016 -1.551 2.859
261 2HE LYS 38 3HE LYS 38 3.361 -1.451 4.574
262 1HZ LYS 38 HZ1 LYS 38 1.450 -3.065 3.342
263 2HZ LYS 38 HZ2 LYS 38 1.735 -2.935 4.939
264 H GLN 39 HN GLN 39 -0.250 3.856 4.311
265 HA GLN 39 HA GLN 39 -2.169 1.918 3.343
266 1HB GLN 39 1HB GLN 39 -2.810 4.407 4.819
267 2HB GLN 39 2HB GLN 39 -3.668 4.253 3.298
268 1HG GLN 39 1HG GLN 39 -3.556 2.033 5.393
269 2HG GLN 39 2HG GLN 39 -4.845 3.218 5.315
270 1HE2 GLN 39 1HE2 GLN 39 -6.517 2.869 4.044
271 2HE2 GLN 39 2HE2 GLN 39 -6.650 1.653 2.818
Start of MODEL 7
1 1H MET 1 HN MET 1 -0.374 -0.215 -0.777
2 HA MET 1 HA MET 1 1.556 0.909 -2.653
3 1HB MET 1 1HB MET 1 -0.686 2.273 -1.076
4 2HB MET 1 2HB MET 1 0.658 3.189 -1.729
5 1HG MET 1 1HG MET 1 -0.949 1.332 -3.521
6 2HG MET 1 2HG MET 1 -1.530 2.947 -3.171
7 1HE MET 1 1HE MET 1 -0.244 3.479 -6.677
8 2HE MET 1 2HE MET 1 -0.252 1.732 -6.338
9 3HE MET 1 3HE MET 1 -1.546 2.770 -5.691
10 H ASP 2 HN ASP 2 3.261 2.241 -1.661
11 HA ASP 2 HA ASP 2 3.605 1.511 1.140
12 1HB ASP 2 1HB ASP 2 6.101 2.004 0.566
13 2HB ASP 2 2HB ASP 2 5.399 0.506 -0.014
14 HD2 ASP 2 HD2 ASP 2 6.931 3.320 -0.967
15 H ILE 3 HN ILE 3 2.482 3.471 1.886
16 HA ILE 3 HA ILE 3 4.144 5.852 1.626
17 HB ILE 3 HB ILE 3 1.289 5.583 0.780
18 1HG1 ILE 3 2HG1 ILE 3 3.344 7.436 -0.384
19 2HG1 ILE 3 3HG1 ILE 3 3.462 5.718 -0.707
20 1HG2 ILE 3 1HG2 ILE 3 2.516 8.174 1.763
21 2HG2 ILE 3 2HG2 ILE 3 0.901 7.955 1.048
22 3HG2 ILE 3 3HG2 ILE 3 1.281 7.226 2.627
23 1HD1 ILE 3 1HD1 ILE 3 1.298 7.658 -1.508
24 2HD1 ILE 3 2HD1 ILE 3 2.092 6.390 -2.471
25 3HD1 ILE 3 3HD1 ILE 3 0.863 5.950 -1.262
26 H TYR 4 HN TYR 4 4.165 7.124 3.426
27 HA TYR 4 HA TYR 4 2.723 6.007 5.786
28 1HB TYR 4 1HB TYR 4 5.474 7.173 5.401
29 2HB TYR 4 2HB TYR 4 4.684 7.258 6.986
30 HD1 TYR 4 HD1 TYR 4 3.682 4.966 7.859
31 HD2 TYR 4 HD2 TYR 4 6.777 5.321 4.902
32 HE1 TYR 4 HE1 TYR 4 4.418 2.648 8.351
33 HE2 TYR 4 HE2 TYR 4 7.513 3.004 5.394
34 HH TYR 4 HH TYR 4 6.019 1.043 7.970
35 H VAL 5 HN VAL 5 0.899 7.505 4.890
36 HA VAL 5 HA VAL 5 1.407 10.308 5.117
37 HB VAL 5 HB VAL 5 -1.098 8.654 4.772
38 1HG1 VAL 5 1HG1 VAL 5 -1.896 10.627 5.771
39 2HG1 VAL 5 2HG1 VAL 5 -0.715 11.648 4.916
40 3HG1 VAL 5 3HG1 VAL 5 -2.070 10.918 4.023
41 1HG2 VAL 5 1HG2 VAL 5 -0.656 10.241 2.514
42 2HG2 VAL 5 2HG2 VAL 5 0.959 9.642 2.963
43 3HG2 VAL 5 3HG2 VAL 5 -0.365 8.491 2.665
44 H CYS 6 HN CYS 6 1.581 11.397 6.998
45 HA CYS 6 HA CYS 6 1.190 10.249 9.459
46 1HB CYS 6 1HB CYS 6 2.506 12.317 8.910
47 2HB CYS 6 2HB CYS 6 0.996 13.201 8.838
48 H THR 7 HN THR 7 -0.517 10.633 11.097
49 HA THR 7 HA THR 7 -3.129 11.131 9.828
50 HB THR 7 HB THR 7 -3.915 9.629 11.778
51 HG1 THR 7 HG1 THR 7 -1.920 9.911 13.016
52 1HG2 THR 7 1HG2 THR 7 -2.107 7.730 10.600
53 2HG2 THR 7 2HG2 THR 7 -3.826 7.971 10.210
54 3HG2 THR 7 3HG2 THR 7 -2.577 8.870 9.317
55 H VAL 8 HN VAL 8 -0.976 12.950 11.215
56 HA VAL 8 HA VAL 8 -2.830 14.055 13.208
57 HB VAL 8 HB VAL 8 0.175 14.247 12.937
58 1HG1 VAL 8 1HG1 VAL 8 -0.171 15.383 15.285
59 2HG1 VAL 8 2HG1 VAL 8 -0.311 16.339 13.791
60 3HG1 VAL 8 3HG1 VAL 8 -1.778 15.780 14.629
61 1HG2 VAL 8 1HG2 VAL 8 -1.537 12.371 14.249
62 2HG2 VAL 8 2HG2 VAL 8 0.241 12.454 14.257
63 3HG2 VAL 8 3HG2 VAL 8 -0.697 13.324 15.495
64 H CYS 9 HN CYS 9 -0.391 14.954 10.669
65 HA CYS 9 HA CYS 9 -1.920 17.423 10.311
66 1HB CYS 9 1HB CYS 9 0.268 18.035 8.996
67 2HB CYS 9 2HB CYS 9 0.162 18.212 10.736
68 H GLY 10 HN GLY 10 -1.026 14.319 9.004
69 1HA GLY 10 HA1 GLY 10 -2.060 13.340 7.181
70 2HA GLY 10 HA2 GLY 10 -2.490 14.918 6.549
71 H TYR 11 HN TYR 11 0.703 14.848 7.706
72 HA TYR 11 HA TYR 11 2.025 15.579 5.445
73 1HB TYR 11 1HB TYR 11 2.980 15.335 7.739
74 2HB TYR 11 2HB TYR 11 3.071 13.584 7.481
75 HD1 TYR 11 HD1 TYR 11 5.369 13.125 7.472
76 HD2 TYR 11 HD2 TYR 11 3.844 16.352 5.081
77 HE1 TYR 11 HE1 TYR 11 7.596 13.395 6.416
78 HE2 TYR 11 HE2 TYR 11 6.071 16.622 4.025
79 HH TYR 11 HH TYR 11 8.243 14.812 3.683
80 H GLU 12 HN GLU 12 3.364 14.428 3.803
81 HA GLU 12 HA GLU 12 2.369 11.722 3.378
82 1HB GLU 12 1HB GLU 12 2.243 14.086 1.590
83 2HB GLU 12 2HB GLU 12 2.875 12.646 0.815
84 1HG GLU 12 1HG GLU 12 0.886 11.353 1.472
85 2HG GLU 12 2HG GLU 12 0.279 12.693 2.424
86 HE2 GLU 12 HE2 GLU 12 0.870 11.740 -0.905
87 H TYR 13 HN TYR 13 4.020 10.384 3.617
88 HA TYR 13 HA TYR 13 6.749 11.308 2.907
89 1HB TYR 13 1HB TYR 13 6.369 10.474 5.195
90 2HB TYR 13 2HB TYR 13 5.781 8.937 4.539
91 HD1 TYR 13 HD1 TYR 13 7.265 7.166 4.332
92 HD2 TYR 13 HD2 TYR 13 8.790 11.182 4.384
93 HE1 TYR 13 HE1 TYR 13 9.584 6.286 4.312
94 HE2 TYR 13 HE2 TYR 13 11.109 10.301 4.364
95 HH TYR 13 HH TYR 13 11.825 6.834 4.598
96 H ASP 14 HN ASP 14 8.203 9.739 1.739
97 HA ASP 14 HA ASP 14 6.629 7.874 0.157
98 1HB ASP 14 1HB ASP 14 7.345 10.151 -0.981
99 2HB ASP 14 2HB ASP 14 8.946 9.439 -1.026
100 HD2 ASP 14 HD2 ASP 14 6.469 9.936 -2.894
101 HA PRO 15 HA PRO 15 9.801 5.486 2.477
102 1HB PRO 15 1HB PRO 15 8.527 3.579 0.459
103 2HB PRO 15 2HB PRO 15 9.055 3.293 2.149
104 1HG PRO 15 1HG PRO 15 6.498 3.868 1.550
105 2HG PRO 15 2HG PRO 15 7.102 4.496 3.119
106 1HD PRO 15 HD2 PRO 15 6.429 5.940 0.599
107 2HD PRO 15 HD3 PRO 15 6.702 6.603 2.239
108 H ALA 16 HN ALA 16 11.829 6.241 1.719
109 HA ALA 16 HA ALA 16 13.255 4.860 -0.076
110 1HB ALA 16 1HB ALA 16 12.332 5.256 -2.096
111 2HB ALA 16 2HB ALA 16 11.307 6.562 -1.456
112 3HB ALA 16 3HB ALA 16 12.981 6.907 -1.949
113 H PHE 17 HN PHE 17 14.287 5.672 2.038
114 HA PHE 17 HA PHE 17 15.767 8.102 1.372
115 1HB PHE 17 1HB PHE 17 14.195 7.331 3.878
116 2HB PHE 17 2HB PHE 17 15.577 8.397 4.034
117 HD1 PHE 17 HD1 PHE 17 15.211 10.671 3.916
118 HD2 PHE 17 HD2 PHE 17 12.462 8.069 1.998
119 HE1 PHE 17 HE1 PHE 17 13.763 12.635 3.328
120 HE2 PHE 17 HE2 PHE 17 11.013 10.033 1.409
121 HZ PHE 17 HZ PHE 17 11.681 12.292 2.081
122 H GLU 18 HN GLU 18 17.461 8.252 3.534
123 HA GLU 18 HA GLU 18 18.574 5.573 3.749
124 1HB GLU 18 1HB GLU 18 19.726 6.943 1.930
125 2HB GLU 18 2HB GLU 18 20.253 8.052 3.180
126 1HG GLU 18 1HG GLU 18 20.942 5.514 4.199
127 2HG GLU 18 2HG GLU 18 21.302 5.390 2.488
128 HE2 GLU 18 HE2 GLU 18 23.350 6.076 2.093
129 H ASP 19 HN ASP 19 19.005 5.042 5.853
130 HA ASP 19 HA ASP 19 19.693 5.278 7.927
131 1HB ASP 19 1HB ASP 19 20.813 7.545 6.914
132 2HB ASP 19 2HB ASP 19 19.626 8.282 7.972
133 HD2 ASP 19 HD2 ASP 19 22.993 6.870 8.700
134 H LEU 20 HN LEU 20 17.597 4.554 8.648
135 HA LEU 20 HA LEU 20 15.758 6.727 9.377
136 1HB LEU 20 1HB LEU 20 15.020 5.245 7.482
137 2HB LEU 20 2HB LEU 20 14.989 3.910 8.616
138 HG LEU 20 HG LEU 20 13.459 6.291 9.472
139 1HD1 LEU 20 1HD1 LEU 20 13.006 6.387 7.078
140 2HD1 LEU 20 2HD1 LEU 20 12.542 4.669 7.081
141 3HD1 LEU 20 3HD1 LEU 20 11.565 5.857 7.978
142 1HD2 LEU 20 1HD2 LEU 20 12.021 3.784 9.331
143 2HD2 LEU 20 2HD2 LEU 20 13.603 3.572 10.119
144 3HD2 LEU 20 3HD2 LEU 20 12.451 4.776 10.744
145 HA PRO 21 HA PRO 21 17.597 5.070 13.241
146 1HB PRO 21 1HB PRO 21 16.140 7.597 14.064
147 2HB PRO 21 2HB PRO 21 17.767 6.989 14.511
148 1HG PRO 21 1HG PRO 21 17.605 8.957 12.633
149 2HG PRO 21 2HG PRO 21 18.763 7.586 12.637
150 1HD PRO 21 HD2 PRO 21 16.193 7.994 11.043
151 2HD PRO 21 HD3 PRO 21 17.751 7.291 10.511
152 H ASP 22 HN ASP 22 16.402 4.604 15.405
153 HA ASP 22 HA ASP 22 13.789 3.649 14.670
154 1HB ASP 22 1HB ASP 22 14.734 3.196 17.446
155 2HB ASP 22 2HB ASP 22 14.113 2.042 16.282
156 HD2 ASP 22 HD2 ASP 22 17.222 1.304 17.416
157 H ASP 23 HN ASP 23 14.075 6.525 14.943
158 HA ASP 23 HA ASP 23 12.091 6.960 16.918
159 1HB ASP 23 1HB ASP 23 13.614 8.944 17.857
160 2HB ASP 23 2HB ASP 23 13.695 7.337 18.552
161 HD2 ASP 23 HD2 ASP 23 16.690 8.225 16.041
162 H TRP 24 HN TRP 24 11.574 7.318 14.366
163 HA TRP 24 HA TRP 24 12.494 9.901 13.426
164 1HB TRP 24 1HB TRP 24 12.223 7.750 12.030
165 2HB TRP 24 2HB TRP 24 10.508 8.102 12.061
166 HD1 TRP 24 HD1 TRP 24 13.599 10.406 11.326
167 HE1 TRP 24 HE1 TRP 24 13.203 11.789 9.115
168 HE3 TRP 24 HE3 TRP 24 9.034 8.425 10.281
169 HZ2 TRP 24 HZ2 TRP 24 11.072 11.898 7.218
170 HZ3 TRP 24 HZ3 TRP 24 7.863 9.224 8.230
171 HH2 TRP 24 HH2 TRP 24 8.810 10.899 6.723
172 H ALA 25 HN ALA 25 11.170 11.747 13.292
173 HA ALA 25 HA ALA 25 8.456 11.439 14.366
174 1HB ALA 25 1HB ALA 25 8.871 12.841 16.086
175 2HB ALA 25 2HB ALA 25 10.597 12.562 15.751
176 3HB ALA 25 3HB ALA 25 9.772 13.973 15.048
177 H CYS 26 HN CYS 26 6.882 12.628 13.295
178 HA CYS 26 HA CYS 26 7.268 13.330 10.710
179 1HB CYS 26 1HB CYS 26 5.086 13.004 11.831
180 2HB CYS 26 2HB CYS 26 5.262 14.564 12.610
181 HA PRO 27 HA PRO 27 9.650 17.059 10.962
182 1HB PRO 27 1HB PRO 27 9.506 17.808 8.358
183 2HB PRO 27 2HB PRO 27 10.357 16.308 8.850
184 1HG PRO 27 1HG PRO 27 7.324 16.367 7.784
185 2HG PRO 27 2HG PRO 27 8.831 15.530 7.283
186 1HD PRO 27 HD2 PRO 27 7.015 14.501 9.126
187 2HD PRO 27 HD3 PRO 27 8.767 14.141 9.180
188 H VAL 28 HN VAL 28 6.268 16.791 10.724
189 HA VAL 28 HA VAL 28 6.017 19.714 10.539
190 HB VAL 28 HB VAL 28 3.977 17.563 9.932
191 1HG1 VAL 28 1HG1 VAL 28 3.703 20.374 10.494
192 2HG1 VAL 28 2HG1 VAL 28 3.258 20.060 8.800
193 3HG1 VAL 28 3HG1 VAL 28 2.445 19.174 10.113
194 1HG2 VAL 28 1HG2 VAL 28 5.338 17.394 8.093
195 2HG2 VAL 28 2HG2 VAL 28 4.297 18.740 7.570
196 3HG2 VAL 28 3HG2 VAL 28 5.919 19.071 8.225
197 H CYS 29 HN CYS 29 3.497 17.475 11.670
198 HA CYS 29 HA CYS 29 2.843 18.868 13.881
199 1HB CYS 29 1HB CYS 29 1.919 16.730 14.781
200 2HB CYS 29 2HB CYS 29 1.422 17.137 13.151
201 H GLY 30 HN GLY 30 5.323 16.254 13.527
202 1HA GLY 30 HA1 GLY 30 7.374 16.358 14.683
203 2HA GLY 30 HA2 GLY 30 6.606 17.245 15.984
204 H ALA 31 HN ALA 31 4.287 15.021 15.252
205 HA ALA 31 HA ALA 31 4.702 13.505 17.548
206 1HB ALA 31 1HB ALA 31 2.729 13.853 15.539
207 2HB ALA 31 2HB ALA 31 3.099 12.112 15.581
208 3HB ALA 31 3HB ALA 31 2.580 12.948 17.064
209 H SER 32 HN SER 32 4.948 11.048 17.585
210 HA SER 32 HA SER 32 7.363 10.449 16.240
211 1HB SER 32 1HB SER 32 7.125 8.232 17.427
212 2HB SER 32 2HB SER 32 7.060 9.624 18.491
213 HG SER 32 HG SER 32 4.981 9.234 18.963
214 H LYS 33 HN LYS 33 7.481 8.024 15.248
215 HA LYS 33 HA LYS 33 5.628 8.083 13.038
216 1HB LYS 33 1HB LYS 33 7.119 6.613 11.961
217 2HB LYS 33 2HB LYS 33 8.132 7.744 12.833
218 1HG LYS 33 1HG LYS 33 7.514 5.546 14.607
219 2HG LYS 33 2HG LYS 33 8.046 4.875 13.079
220 1HD LYS 33 HD2 LYS 33 10.186 5.775 13.258
221 2HD LYS 33 HD3 LYS 33 9.643 7.181 14.151
222 1HE LYS 33 2HE LYS 33 10.539 6.109 15.966
223 2HE LYS 33 3HE LYS 33 9.044 5.194 15.959
224 1HZ LYS 33 HZ1 LYS 33 10.551 3.852 14.153
225 2HZ LYS 33 HZ2 LYS 33 11.692 4.320 15.217
226 H ASP 34 HN ASP 34 4.098 7.687 15.233
227 HA ASP 34 HA ASP 34 3.706 4.801 15.277
228 1HB ASP 34 1HB ASP 34 4.142 5.871 17.491
229 2HB ASP 34 2HB ASP 34 2.788 6.955 17.240
230 HD2 ASP 34 HD2 ASP 34 0.392 4.951 17.263
231 H ALA 35 HN ALA 35 2.008 8.024 15.381
232 HA ALA 35 HA ALA 35 -0.552 7.059 14.878
233 1HB ALA 35 1HB ALA 35 0.590 9.471 15.485
234 2HB ALA 35 2HB ALA 35 0.156 9.721 13.776
235 3HB ALA 35 3HB ALA 35 -1.097 9.267 14.956
236 H PHE 36 HN PHE 36 2.263 7.456 12.809
237 HA PHE 36 HA PHE 36 0.963 7.750 10.360
238 1HB PHE 36 1HB PHE 36 3.596 6.565 11.377
239 2HB PHE 36 2HB PHE 36 3.233 6.521 9.662
240 HD1 PHE 36 HD1 PHE 36 3.827 8.770 12.528
241 HD2 PHE 36 HD2 PHE 36 3.448 8.468 8.312
242 HE1 PHE 36 HE1 PHE 36 4.721 11.103 12.281
243 HE2 PHE 36 HE2 PHE 36 4.342 10.799 8.065
244 HZ PHE 36 HZ PHE 36 4.967 12.089 10.051
245 H GLU 37 HN GLU 37 0.003 6.327 8.939
246 HA GLU 37 HA GLU 37 0.077 3.529 9.763
247 1HB GLU 37 1HB GLU 37 -2.141 4.494 10.206
248 2HB GLU 37 2HB GLU 37 -2.245 5.102 8.566
249 1HG GLU 37 1HG GLU 37 -3.517 2.957 8.903
250 2HG GLU 37 2HG GLU 37 -2.304 2.844 7.645
251 HE2 GLU 37 HE2 GLU 37 -2.052 -0.078 9.445
252 H LYS 38 HN LYS 38 0.111 1.931 8.050
253 HA LYS 38 HA LYS 38 1.317 2.991 5.636
254 1HB LYS 38 1HB LYS 38 2.125 0.982 7.128
255 2HB LYS 38 2HB LYS 38 0.938 0.067 6.219
256 1HG LYS 38 1HG LYS 38 2.793 1.853 4.656
257 2HG LYS 38 2HG LYS 38 3.479 0.398 5.352
258 1HD LYS 38 HD2 LYS 38 0.870 -0.048 4.002
259 2HD LYS 38 HD3 LYS 38 2.125 0.532 2.926
260 1HE LYS 38 2HE LYS 38 3.016 -1.551 2.859
261 2HE LYS 38 3HE LYS 38 3.361 -1.451 4.574
262 1HZ LYS 38 HZ1 LYS 38 1.450 -3.065 3.342
263 2HZ LYS 38 HZ2 LYS 38 1.735 -2.935 4.939
264 H GLN 39 HN GLN 39 -0.250 3.856 4.311
265 HA GLN 39 HA GLN 39 -2.169 1.918 3.343
266 1HB GLN 39 1HB GLN 39 -2.810 4.407 4.819
267 2HB GLN 39 2HB GLN 39 -3.668 4.253 3.298
268 1HG GLN 39 1HG GLN 39 -3.556 2.033 5.393
269 2HG GLN 39 2HG GLN 39 -4.845 3.218 5.315
270 1HE2 GLN 39 1HE2 GLN 39 -6.517 2.869 4.044
271 2HE2 GLN 39 2HE2 GLN 39 -6.650 1.653 2.818
Start of MODEL 8
1 1H MET 1 HN MET 1 7.933 1.482 -2.758
2 HA MET 1 HA MET 1 5.834 1.265 -3.440
3 1HB MET 1 1HB MET 1 6.601 -1.618 -3.243
4 2HB MET 1 2HB MET 1 4.897 -1.323 -2.959
5 1HG MET 1 1HG MET 1 4.841 0.022 -5.128
6 2HG MET 1 2HG MET 1 6.493 -0.482 -5.425
7 1HE MET 1 1HE MET 1 3.210 -3.119 -4.226
8 2HE MET 1 2HE MET 1 3.102 -1.361 -4.484
9 3HE MET 1 3HE MET 1 2.602 -2.482 -5.772
10 H ASP 2 HN ASP 2 5.493 2.615 -1.540
11 HA ASP 2 HA ASP 2 3.582 1.605 0.158
12 1HB ASP 2 1HB ASP 2 4.921 1.815 2.342
13 2HB ASP 2 2HB ASP 2 5.215 0.374 1.389
14 HD2 ASP 2 HD2 ASP 2 6.612 3.230 2.562
15 H ILE 3 HN ILE 3 3.076 3.332 1.945
16 HA ILE 3 HA ILE 3 4.403 5.872 1.514
17 HB ILE 3 HB ILE 3 1.531 5.334 0.803
18 1HG1 ILE 3 2HG1 ILE 3 3.744 6.804 -0.660
19 2HG1 ILE 3 3HG1 ILE 3 3.280 5.141 -0.956
20 1HG2 ILE 3 1HG2 ILE 3 2.701 7.754 2.023
21 2HG2 ILE 3 2HG2 ILE 3 1.750 8.029 0.544
22 3HG2 ILE 3 3HG2 ILE 3 1.011 7.202 1.936
23 1HD1 ILE 3 1HD1 ILE 3 1.824 7.673 -1.631
24 2HD1 ILE 3 2HD1 ILE 3 1.941 6.150 -2.546
25 3HD1 ILE 3 3HD1 ILE 3 0.828 6.274 -1.162
26 H TYR 4 HN TYR 4 4.238 7.237 3.252
27 HA TYR 4 HA TYR 4 2.777 6.159 5.616
28 1HB TYR 4 1HB TYR 4 5.598 7.222 5.367
29 2HB TYR 4 2HB TYR 4 4.738 7.203 6.916
30 HD1 TYR 4 HD1 TYR 4 4.156 5.079 8.009
31 HD2 TYR 4 HD2 TYR 4 6.391 5.179 4.341
32 HE1 TYR 4 HE1 TYR 4 4.828 2.716 8.353
33 HE2 TYR 4 HE2 TYR 4 7.062 2.817 4.686
34 HH TYR 4 HH TYR 4 5.818 0.864 7.385
35 H VAL 5 HN VAL 5 0.995 7.662 5.104
36 HA VAL 5 HA VAL 5 1.751 10.476 5.226
37 HB VAL 5 HB VAL 5 -0.760 8.991 4.462
38 1HG1 VAL 5 1HG1 VAL 5 -0.408 12.003 4.625
39 2HG1 VAL 5 2HG1 VAL 5 -1.847 11.128 4.047
40 3HG1 VAL 5 3HG1 VAL 5 -1.364 11.017 5.756
41 1HG2 VAL 5 1HG2 VAL 5 1.113 10.818 2.920
42 2HG2 VAL 5 2HG2 VAL 5 0.973 9.052 2.752
43 3HG2 VAL 5 3HG2 VAL 5 -0.385 10.101 2.280
44 H CYS 6 HN CYS 6 1.728 11.526 7.140
45 HA CYS 6 HA CYS 6 1.034 10.326 9.504
46 1HB CYS 6 1HB CYS 6 2.440 12.404 9.104
47 2HB CYS 6 2HB CYS 6 0.939 13.304 9.013
48 H THR 7 HN THR 7 -0.841 10.597 10.921
49 HA THR 7 HA THR 7 -3.278 11.282 9.416
50 HB THR 7 HB THR 7 -4.342 9.669 11.082
51 HG1 THR 7 HG1 THR 7 -2.575 9.925 12.660
52 1HG2 THR 7 1HG2 THR 7 -2.947 9.011 8.781
53 2HG2 THR 7 2HG2 THR 7 -2.083 8.048 10.002
54 3HG2 THR 7 3HG2 THR 7 -3.835 7.833 9.776
55 H VAL 8 HN VAL 8 -1.289 13.003 11.064
56 HA VAL 8 HA VAL 8 -3.312 14.018 12.939
57 HB VAL 8 HB VAL 8 -0.324 13.827 13.042
58 1HG1 VAL 8 1HG1 VAL 8 -1.979 16.083 14.031
59 2HG1 VAL 8 2HG1 VAL 8 -0.820 15.399 15.196
60 3HG1 VAL 8 3HG1 VAL 8 -0.248 16.016 13.627
61 1HG2 VAL 8 1HG2 VAL 8 -1.209 12.103 14.281
62 2HG2 VAL 8 2HG2 VAL 8 -1.096 13.363 15.532
63 3HG2 VAL 8 3HG2 VAL 8 -2.657 13.027 14.746
64 H CYS 9 HN CYS 9 -0.617 14.952 10.694
65 HA CYS 9 HA CYS 9 -1.995 17.513 10.365
66 1HB CYS 9 1HB CYS 9 0.258 18.189 9.333
67 2HB CYS 9 2HB CYS 9 0.125 18.059 11.076
68 H GLY 10 HN GLY 10 -1.126 14.448 8.942
69 1HA GLY 10 HA1 GLY 10 -1.982 13.596 6.986
70 2HA GLY 10 HA2 GLY 10 -2.425 15.205 6.453
71 H TYR 11 HN TYR 11 0.746 14.806 7.785
72 HA TYR 11 HA TYR 11 2.132 15.808 5.579
73 1HB TYR 11 1HB TYR 11 2.973 15.580 7.921
74 2HB TYR 11 2HB TYR 11 3.150 13.838 7.653
75 HD1 TYR 11 HD1 TYR 11 5.471 13.504 7.797
76 HD2 TYR 11 HD2 TYR 11 3.924 16.629 5.288
77 HE1 TYR 11 HE1 TYR 11 7.738 13.877 6.864
78 HE2 TYR 11 HE2 TYR 11 6.191 17.002 4.355
79 HH TYR 11 HH TYR 11 9.058 15.499 5.671
80 H GLU 12 HN GLU 12 3.558 14.752 3.970
81 HA GLU 12 HA GLU 12 2.612 12.047 3.416
82 1HB GLU 12 1HB GLU 12 2.771 14.451 1.716
83 2HB GLU 12 2HB GLU 12 3.556 13.065 0.986
84 1HG GLU 12 1HG GLU 12 0.836 12.674 2.244
85 2HG GLU 12 2HG GLU 12 0.926 13.484 0.693
86 HE2 GLU 12 HE2 GLU 12 0.442 10.152 -0.102
87 H TYR 13 HN TYR 13 4.107 10.493 3.141
88 HA TYR 13 HA TYR 13 6.968 11.340 3.119
89 1HB TYR 13 1HB TYR 13 6.381 10.358 5.250
90 2HB TYR 13 2HB TYR 13 5.601 8.982 4.452
91 HD1 TYR 13 HD1 TYR 13 6.840 7.070 3.817
92 HD2 TYR 13 HD2 TYR 13 8.890 10.649 5.016
93 HE1 TYR 13 HE1 TYR 13 8.984 5.825 3.864
94 HE2 TYR 13 HE2 TYR 13 11.034 9.405 5.063
95 HH TYR 13 HH TYR 13 12.032 7.332 4.933
96 H ASP 14 HN ASP 14 8.459 9.556 2.149
97 HA ASP 14 HA ASP 14 7.004 8.036 0.156
98 1HB ASP 14 1HB ASP 14 8.034 10.346 -0.658
99 2HB ASP 14 2HB ASP 14 9.560 9.486 -0.592
100 HD2 ASP 14 HD2 ASP 14 6.796 8.129 -3.149
101 HA PRO 15 HA PRO 15 9.953 5.001 1.530
102 1HB PRO 15 1HB PRO 15 9.610 3.157 -0.470
103 2HB PRO 15 2HB PRO 15 8.343 3.504 0.750
104 1HG PRO 15 1HG PRO 15 8.232 4.654 -2.252
105 2HG PRO 15 2HG PRO 15 7.354 3.767 -0.964
106 1HD PRO 15 HD2 PRO 15 7.540 6.630 -1.354
107 2HD PRO 15 HD3 PRO 15 6.823 5.779 0.048
108 H ALA 16 HN ALA 16 11.980 6.170 1.297
109 HA ALA 16 HA ALA 16 13.786 5.183 -0.457
110 1HB ALA 16 1HB ALA 16 11.972 6.972 -1.814
111 2HB ALA 16 2HB ALA 16 13.600 7.692 -1.788
112 3HB ALA 16 3HB ALA 16 13.355 6.067 -2.475
113 H PHE 17 HN PHE 17 14.420 5.504 1.918
114 HA PHE 17 HA PHE 17 15.860 8.039 2.075
115 1HB PHE 17 1HB PHE 17 13.752 6.844 3.877
116 2HB PHE 17 2HB PHE 17 15.146 7.509 4.706
117 HD1 PHE 17 HD1 PHE 17 14.976 9.695 5.396
118 HD2 PHE 17 HD2 PHE 17 12.831 8.496 1.937
119 HE1 PHE 17 HE1 PHE 17 13.987 11.994 5.213
120 HE2 PHE 17 HE2 PHE 17 11.841 10.795 1.754
121 HZ PHE 17 HZ PHE 17 12.430 12.517 3.394
122 H GLU 18 HN GLU 18 17.563 7.940 3.898
123 HA GLU 18 HA GLU 18 19.017 5.553 3.499
124 1HB GLU 18 1HB GLU 18 20.615 6.711 5.183
125 2HB GLU 18 2HB GLU 18 20.342 7.503 3.643
126 1HG GLU 18 1HG GLU 18 18.924 9.154 4.589
127 2HG GLU 18 2HG GLU 18 18.560 8.181 5.999
128 HE2 GLU 18 HE2 GLU 18 19.533 10.761 5.993
129 H ASP 19 HN ASP 19 17.196 4.147 4.423
130 HA ASP 19 HA ASP 19 16.488 2.796 5.963
131 1HB ASP 19 1HB ASP 19 19.139 3.613 6.993
132 2HB ASP 19 2HB ASP 19 18.052 3.101 8.269
133 HD2 ASP 19 HD2 ASP 19 19.293 1.943 5.192
134 H LEU 20 HN LEU 20 15.593 2.754 8.384
135 HA LEU 20 HA LEU 20 14.729 5.484 9.036
136 1HB LEU 20 1HB LEU 20 13.238 3.193 8.407
137 2HB LEU 20 2HB LEU 20 13.081 3.383 10.143
138 HG LEU 20 HG LEU 20 12.101 5.532 9.940
139 1HD1 LEU 20 1HD1 LEU 20 11.778 6.432 7.476
140 2HD1 LEU 20 2HD1 LEU 20 13.253 6.782 8.409
141 3HD1 LEU 20 3HD1 LEU 20 13.261 5.491 7.185
142 1HD2 LEU 20 1HD2 LEU 20 10.904 3.957 7.653
143 2HD2 LEU 20 2HD2 LEU 20 10.686 3.523 9.365
144 3HD2 LEU 20 3HD2 LEU 20 10.091 5.088 8.760
145 HA PRO 21 HA PRO 21 16.792 4.919 12.873
146 1HB PRO 21 1HB PRO 21 15.988 7.170 14.123
147 2HB PRO 21 2HB PRO 21 16.957 7.261 12.617
148 1HG PRO 21 1HG PRO 21 13.823 7.532 12.798
149 2HG PRO 21 2HG PRO 21 15.125 8.508 12.040
150 1HD PRO 21 HD2 PRO 21 13.639 6.455 10.776
151 2HD PRO 21 HD3 PRO 21 15.243 7.037 10.236
152 H ASP 22 HN ASP 22 16.128 5.031 15.372
153 HA ASP 22 HA ASP 22 13.629 3.573 15.500
154 1HB ASP 22 1HB ASP 22 14.555 3.147 17.930
155 2HB ASP 22 2HB ASP 22 15.270 2.294 16.576
156 HD2 ASP 22 HD2 ASP 22 18.227 3.010 17.464
157 H ASP 23 HN ASP 23 13.145 6.257 15.128
158 HA ASP 23 HA ASP 23 11.547 7.010 17.106
159 1HB ASP 23 1HB ASP 23 14.382 7.642 17.769
160 2HB ASP 23 2HB ASP 23 13.294 9.006 17.924
161 HD2 ASP 23 HD2 ASP 23 12.795 8.699 20.681
162 H TRP 24 HN TRP 24 10.823 7.522 14.796
163 HA TRP 24 HA TRP 24 12.008 9.998 13.772
164 1HB TRP 24 1HB TRP 24 11.788 7.842 12.371
165 2HB TRP 24 2HB TRP 24 10.079 8.224 12.297
166 HD1 TRP 24 HD1 TRP 24 13.292 10.399 11.694
167 HE1 TRP 24 HE1 TRP 24 13.040 11.804 9.475
168 HE3 TRP 24 HE3 TRP 24 8.664 8.664 10.498
169 HZ2 TRP 24 HZ2 TRP 24 10.981 12.029 7.513
170 HZ3 TRP 24 HZ3 TRP 24 7.603 9.527 8.414
171 HH2 TRP 24 HH2 TRP 24 8.685 11.153 6.943
172 H ALA 25 HN ALA 25 10.800 11.885 13.779
173 HA ALA 25 HA ALA 25 7.990 11.610 14.599
174 1HB ALA 25 1HB ALA 25 8.302 13.670 15.935
175 2HB ALA 25 2HB ALA 25 9.377 12.364 16.490
176 3HB ALA 25 3HB ALA 25 10.027 13.690 15.495
177 H CYS 26 HN CYS 26 6.509 12.914 13.502
178 HA CYS 26 HA CYS 26 7.113 13.665 10.944
179 1HB CYS 26 1HB CYS 26 4.842 13.350 12.204
180 2HB CYS 26 2HB CYS 26 4.958 15.075 12.484
181 HA PRO 27 HA PRO 27 9.425 17.397 11.561
182 1HB PRO 27 1HB PRO 27 9.489 18.240 8.971
183 2HB PRO 27 2HB PRO 27 10.346 16.758 9.504
184 1HG PRO 27 1HG PRO 27 7.487 16.790 8.127
185 2HG PRO 27 2HG PRO 27 9.047 15.969 7.798
186 1HD PRO 27 HD2 PRO 27 7.012 14.900 9.379
187 2HD PRO 27 HD3 PRO 27 8.744 14.519 9.620
188 H VAL 28 HN VAL 28 6.081 17.107 10.958
189 HA VAL 28 HA VAL 28 5.800 20.026 10.795
190 HB VAL 28 HB VAL 28 3.850 17.813 10.121
191 1HG1 VAL 28 1HG1 VAL 28 3.463 20.637 10.650
192 2HG1 VAL 28 2HG1 VAL 28 3.020 20.243 8.972
193 3HG1 VAL 28 3HG1 VAL 28 2.260 19.367 10.323
194 1HG2 VAL 28 1HG2 VAL 28 4.494 17.921 7.958
195 2HG2 VAL 28 2HG2 VAL 28 4.764 19.680 8.016
196 3HG2 VAL 28 3HG2 VAL 28 6.008 18.567 8.633
197 H CYS 29 HN CYS 29 3.327 17.692 11.886
198 HA CYS 29 HA CYS 29 2.558 19.144 14.049
199 1HB CYS 29 1HB CYS 29 1.577 17.031 14.917
200 2HB CYS 29 2HB CYS 29 1.172 17.400 13.252
201 H GLY 30 HN GLY 30 4.932 16.398 13.883
202 1HA GLY 30 HA1 GLY 30 6.983 16.557 15.095
203 2HA GLY 30 HA2 GLY 30 6.150 17.430 16.366
204 H ALA 31 HN ALA 31 3.811 15.306 15.650
205 HA ALA 31 HA ALA 31 4.185 13.726 17.893
206 1HB ALA 31 1HB ALA 31 2.548 13.142 15.393
207 2HB ALA 31 2HB ALA 31 2.296 12.440 17.010
208 3HB ALA 31 3HB ALA 31 2.026 14.179 16.742
209 H SER 32 HN SER 32 4.388 11.268 17.904
210 HA SER 32 HA SER 32 6.808 10.632 16.609
211 1HB SER 32 1HB SER 32 6.567 8.449 17.752
212 2HB SER 32 2HB SER 32 6.273 9.779 18.855
213 HG SER 32 HG SER 32 3.884 9.397 18.119
214 H LYS 33 HN LYS 33 6.931 8.284 15.498
215 HA LYS 33 HA LYS 33 5.107 8.447 13.262
216 1HB LYS 33 1HB LYS 33 6.613 6.841 12.214
217 2HB LYS 33 2HB LYS 33 7.501 8.211 12.850
218 1HG LYS 33 1HG LYS 33 8.806 6.750 13.990
219 2HG LYS 33 2HG LYS 33 7.424 6.391 15.006
220 1HD LYS 33 HD2 LYS 33 6.914 4.417 13.875
221 2HD LYS 33 HD3 LYS 33 7.533 5.002 12.343
222 1HE LYS 33 2HE LYS 33 9.459 4.535 14.636
223 2HE LYS 33 3HE LYS 33 8.879 3.164 13.710
224 1HZ LYS 33 HZ1 LYS 33 10.758 5.177 12.919
225 2HZ LYS 33 HZ2 LYS 33 10.494 3.713 12.257
226 H ASP 34 HN ASP 34 3.605 7.892 15.471
227 HA ASP 34 HA ASP 34 3.299 5.003 15.415
228 1HB ASP 34 1HB ASP 34 2.226 5.172 17.525
229 2HB ASP 34 2HB ASP 34 3.527 6.343 17.618
230 HD2 ASP 34 HD2 ASP 34 2.331 8.834 16.916
231 H ALA 35 HN ALA 35 1.519 8.168 15.249
232 HA ALA 35 HA ALA 35 -0.976 7.032 14.600
233 1HB ALA 35 1HB ALA 35 0.069 9.548 15.261
234 2HB ALA 35 2HB ALA 35 -0.536 9.742 13.599
235 3HB ALA 35 3HB ALA 35 -1.628 9.169 14.881
236 H PHE 36 HN PHE 36 1.977 7.421 12.837
237 HA PHE 36 HA PHE 36 0.949 7.880 10.278
238 1HB PHE 36 1HB PHE 36 3.425 6.659 11.565
239 2HB PHE 36 2HB PHE 36 3.243 6.500 9.829
240 HD1 PHE 36 HD1 PHE 36 3.335 9.037 12.544
241 HD2 PHE 36 HD2 PHE 36 3.889 8.242 8.413
242 HE1 PHE 36 HE1 PHE 36 4.300 11.333 12.232
243 HE2 PHE 36 HE2 PHE 36 4.854 10.538 8.101
244 HZ PHE 36 HZ PHE 36 5.048 12.056 10.014
245 H GLU 37 HN GLU 37 0.055 6.553 8.734
246 HA GLU 37 HA GLU 37 -0.192 3.758 9.523
247 1HB GLU 37 1HB GLU 37 -2.224 5.500 9.049
248 2HB GLU 37 2HB GLU 37 -1.987 4.908 7.417
249 1HG GLU 37 1HG GLU 37 -2.004 2.790 9.519
250 2HG GLU 37 2HG GLU 37 -3.523 3.642 9.327
251 HE2 GLU 37 HE2 GLU 37 -1.672 1.215 8.051
252 H LYS 38 HN LYS 38 0.053 2.099 7.867
253 HA LYS 38 HA LYS 38 1.891 2.969 5.786
254 1HB LYS 38 1HB LYS 38 2.425 1.095 7.405
255 2HB LYS 38 2HB LYS 38 1.179 0.146 6.619
256 1HG LYS 38 1HG LYS 38 2.352 0.437 4.421
257 2HG LYS 38 2HG LYS 38 3.603 1.369 5.218
258 1HD LYS 38 HD2 LYS 38 4.650 -0.671 5.376
259 2HD LYS 38 HD3 LYS 38 3.651 -0.844 6.804
260 1HE LYS 38 2HE LYS 38 2.755 -1.760 4.033
261 2HE LYS 38 3HE LYS 38 3.581 -2.812 5.164
262 1HZ LYS 38 HZ1 LYS 38 0.849 -1.956 5.204
263 2HZ LYS 38 HZ2 LYS 38 1.537 -3.202 5.994
264 H GLN 39 HN GLN 39 0.415 4.005 4.348
265 HA GLN 39 HA GLN 39 -0.907 2.105 2.672
266 1HB GLN 39 1HB GLN 39 -3.106 3.241 2.729
267 2HB GLN 39 2HB GLN 39 -2.692 2.581 4.298
268 1HG GLN 39 1HG GLN 39 -2.429 4.667 5.271
269 2HG GLN 39 2HG GLN 39 -1.791 5.392 3.809
270 1HE2 GLN 39 1HE2 GLN 39 -3.085 6.457 2.443
271 2HE2 GLN 39 2HE2 GLN 39 -4.794 6.669 2.631
Start of MODEL 9
1 1H MET 1 HN MET 1 2.356 -0.331 -1.803
2 HA MET 1 HA MET 1 2.781 1.610 -3.822
3 1HB MET 1 1HB MET 1 0.374 1.740 -2.169
4 2HB MET 1 2HB MET 1 1.406 3.100 -1.771
5 1HG MET 1 1HG MET 1 1.611 3.449 -4.362
6 2HG MET 1 2HG MET 1 0.236 2.370 -4.484
7 1HE MET 1 1HE MET 1 -1.149 5.106 -5.559
8 2HE MET 1 2HE MET 1 -0.279 6.415 -4.725
9 3HE MET 1 3HE MET 1 0.629 5.087 -5.486
10 H ASP 2 HN ASP 2 2.593 0.859 -0.293
11 HA ASP 2 HA ASP 2 3.950 1.230 1.355
12 1HB ASP 2 1HB ASP 2 6.214 1.844 -0.576
13 2HB ASP 2 2HB ASP 2 6.319 1.090 1.004
14 HD2 ASP 2 HD2 ASP 2 5.794 -2.074 -0.164
15 H ILE 3 HN ILE 3 2.779 3.305 1.775
16 HA ILE 3 HA ILE 3 4.547 5.595 1.377
17 HB ILE 3 HB ILE 3 1.628 5.450 0.644
18 1HG1 ILE 3 2HG1 ILE 3 3.748 6.653 -1.083
19 2HG1 ILE 3 3HG1 ILE 3 3.718 4.907 -0.929
20 1HG2 ILE 3 1HG2 ILE 3 2.943 7.612 1.913
21 2HG2 ILE 3 2HG2 ILE 3 2.746 8.052 0.199
22 3HG2 ILE 3 3HG2 ILE 3 1.327 7.582 1.166
23 1HD1 ILE 3 1HD1 ILE 3 2.057 4.863 -2.466
24 2HD1 ILE 3 2HD1 ILE 3 1.003 5.667 -1.277
25 3HD1 ILE 3 3HD1 ILE 3 1.935 6.639 -2.442
26 H TYR 4 HN TYR 4 4.664 6.933 3.089
27 HA TYR 4 HA TYR 4 3.128 6.096 5.496
28 1HB TYR 4 1HB TYR 4 5.833 7.387 5.087
29 2HB TYR 4 2HB TYR 4 5.015 7.392 6.659
30 HD1 TYR 4 HD1 TYR 4 4.568 5.249 7.843
31 HD2 TYR 4 HD2 TYR 4 6.889 5.415 4.233
32 HE1 TYR 4 HE1 TYR 4 5.468 2.989 8.320
33 HE2 TYR 4 HE2 TYR 4 7.790 3.154 4.710
34 HH TYR 4 HH TYR 4 7.506 1.234 6.022
35 H VAL 5 HN VAL 5 1.221 7.377 5.311
36 HA VAL 5 HA VAL 5 1.714 10.253 5.025
37 HB VAL 5 HB VAL 5 -0.865 8.702 4.743
38 1HG1 VAL 5 1HG1 VAL 5 -0.346 11.474 5.011
39 2HG1 VAL 5 2HG1 VAL 5 -0.767 11.194 3.304
40 3HG1 VAL 5 3HG1 VAL 5 -1.883 10.681 4.592
41 1HG2 VAL 5 1HG2 VAL 5 -0.586 8.750 2.372
42 2HG2 VAL 5 2HG2 VAL 5 0.860 9.780 2.495
43 3HG2 VAL 5 3HG2 VAL 5 0.920 8.091 3.057
44 H CYS 6 HN CYS 6 1.801 11.380 6.892
45 HA CYS 6 HA CYS 6 1.257 10.310 9.353
46 1HB CYS 6 1HB CYS 6 2.598 12.367 8.817
47 2HB CYS 6 2HB CYS 6 1.089 13.242 8.641
48 H THR 7 HN THR 7 -0.548 10.706 10.867
49 HA THR 7 HA THR 7 -3.078 11.180 9.433
50 HB THR 7 HB THR 7 -3.970 9.719 11.388
51 HG1 THR 7 HG1 THR 7 -2.041 9.957 12.707
52 1HG2 THR 7 1HG2 THR 7 -2.742 8.940 8.941
53 2HG2 THR 7 2HG2 THR 7 -2.025 7.887 10.185
54 3HG2 THR 7 3HG2 THR 7 -3.792 7.934 9.969
55 H VAL 8 HN VAL 8 -0.985 12.985 10.982
56 HA VAL 8 HA VAL 8 -2.958 14.125 12.832
57 HB VAL 8 HB VAL 8 0.051 14.168 12.715
58 1HG1 VAL 8 1HG1 VAL 8 -0.237 15.677 14.822
59 2HG1 VAL 8 2HG1 VAL 8 -0.310 16.415 13.205
60 3HG1 VAL 8 3HG1 VAL 8 -1.813 16.087 14.102
61 1HG2 VAL 8 1HG2 VAL 8 -0.398 12.388 14.043
62 2HG2 VAL 8 2HG2 VAL 8 -0.623 13.643 15.285
63 3HG2 VAL 8 3HG2 VAL 8 -2.035 12.958 14.445
64 H CYS 9 HN CYS 9 -0.410 15.018 10.400
65 HA CYS 9 HA CYS 9 -1.947 17.463 9.934
66 1HB CYS 9 1HB CYS 9 0.258 18.137 8.743
67 2HB CYS 9 2HB CYS 9 0.131 18.229 10.489
68 H GLY 10 HN GLY 10 -0.938 14.355 8.708
69 1HA GLY 10 HA1 GLY 10 -1.911 13.348 6.854
70 2HA GLY 10 HA2 GLY 10 -2.282 14.918 6.170
71 H TYR 11 HN TYR 11 0.820 14.953 7.478
72 HA TYR 11 HA TYR 11 2.255 15.559 5.250
73 1HB TYR 11 1HB TYR 11 3.053 15.461 7.635
74 2HB TYR 11 2HB TYR 11 3.256 13.712 7.439
75 HD1 TYR 11 HD1 TYR 11 5.528 13.242 7.415
76 HD2 TYR 11 HD2 TYR 11 4.058 16.590 5.161
77 HE1 TYR 11 HE1 TYR 11 7.796 13.607 6.479
78 HE2 TYR 11 HE2 TYR 11 6.326 16.955 4.225
79 HH TYR 11 HH TYR 11 9.031 15.994 5.368
80 H GLU 12 HN GLU 12 3.674 14.348 3.741
81 HA GLU 12 HA GLU 12 2.798 11.581 3.474
82 1HB GLU 12 1HB GLU 12 2.686 13.807 1.498
83 2HB GLU 12 2HB GLU 12 3.331 12.303 0.872
84 1HG GLU 12 1HG GLU 12 1.276 11.332 0.853
85 2HG GLU 12 2HG GLU 12 0.983 11.768 2.526
86 HE2 GLU 12 HE2 GLU 12 -0.290 13.855 2.783
87 H TYR 13 HN TYR 13 4.419 10.174 3.439
88 HA TYR 13 HA TYR 13 7.131 11.153 2.681
89 1HB TYR 13 1HB TYR 13 7.019 10.931 5.093
90 2HB TYR 13 2HB TYR 13 6.306 9.315 4.951
91 HD1 TYR 13 HD1 TYR 13 7.668 7.388 4.305
92 HD2 TYR 13 HD2 TYR 13 9.393 11.299 4.727
93 HE1 TYR 13 HE1 TYR 13 9.936 6.385 4.333
94 HE2 TYR 13 HE2 TYR 13 11.661 10.296 4.755
95 HH TYR 13 HH TYR 13 12.877 8.349 4.811
96 H ASP 14 HN ASP 14 8.619 9.336 1.932
97 HA ASP 14 HA ASP 14 7.007 7.174 0.827
98 1HB ASP 14 1HB ASP 14 7.933 9.112 -0.758
99 2HB ASP 14 2HB ASP 14 9.449 8.248 -0.605
100 HD2 ASP 14 HD2 ASP 14 6.312 8.072 -2.024
101 HA PRO 15 HA PRO 15 10.225 4.726 2.705
102 1HB PRO 15 1HB PRO 15 9.571 2.301 1.621
103 2HB PRO 15 2HB PRO 15 8.513 3.138 2.803
104 1HG PRO 15 1HG PRO 15 7.973 3.023 -0.325
105 2HG PRO 15 2HG PRO 15 7.237 2.847 1.301
106 1HD PRO 15 HD2 PRO 15 7.534 5.255 -0.325
107 2HD PRO 15 HD3 PRO 15 6.838 5.123 1.319
108 H ALA 16 HN ALA 16 12.238 5.456 1.834
109 HA ALA 16 HA ALA 16 13.660 3.853 0.213
110 1HB ALA 16 1HB ALA 16 13.495 5.519 -1.927
111 2HB ALA 16 2HB ALA 16 12.549 4.018 -1.776
112 3HB ALA 16 3HB ALA 16 11.810 5.581 -1.356
113 H PHE 17 HN PHE 17 14.673 4.907 2.241
114 HA PHE 17 HA PHE 17 16.330 7.079 1.278
115 1HB PHE 17 1HB PHE 17 14.394 7.087 3.641
116 2HB PHE 17 2HB PHE 17 15.856 8.049 3.744
117 HD1 PHE 17 HD1 PHE 17 12.842 7.518 1.633
118 HD2 PHE 17 HD2 PHE 17 15.925 10.187 2.807
119 HE1 PHE 17 HE1 PHE 17 11.708 9.378 0.387
120 HE2 PHE 17 HE2 PHE 17 14.790 12.047 1.562
121 HZ PHE 17 HZ PHE 17 12.695 11.620 0.366
122 H GLU 18 HN GLU 18 17.767 7.667 3.549
123 HA GLU 18 HA GLU 18 18.611 5.050 4.510
124 1HB GLU 18 1HB GLU 18 20.090 6.103 2.646
125 2HB GLU 18 2HB GLU 18 20.582 7.268 3.859
126 1HG GLU 18 1HG GLU 18 20.686 4.407 4.724
127 2HG GLU 18 2HG GLU 18 21.820 4.847 3.462
128 HE2 GLU 18 HE2 GLU 18 22.918 7.424 4.544
129 H ASP 19 HN ASP 19 16.929 6.161 6.150
130 HA ASP 19 HA ASP 19 18.393 6.756 8.403
131 1HB ASP 19 1HB ASP 19 18.542 8.982 7.013
132 2HB ASP 19 2HB ASP 19 16.858 9.198 7.444
133 HD2 ASP 19 HD2 ASP 19 17.564 10.300 10.601
134 H LEU 20 HN LEU 20 16.893 5.263 9.342
135 HA LEU 20 HA LEU 20 14.235 6.354 9.791
136 1HB LEU 20 1HB LEU 20 14.396 4.717 7.750
137 2HB LEU 20 2HB LEU 20 14.462 3.479 8.989
138 HG LEU 20 HG LEU 20 12.306 4.956 9.825
139 1HD1 LEU 20 1HD1 LEU 20 11.065 4.892 7.398
140 2HD1 LEU 20 2HD1 LEU 20 11.737 6.352 8.163
141 3HD1 LEU 20 3HD1 LEU 20 12.689 5.465 6.948
142 1HD2 LEU 20 1HD2 LEU 20 11.809 2.779 7.842
143 2HD2 LEU 20 2HD2 LEU 20 12.757 2.398 9.300
144 3HD2 LEU 20 3HD2 LEU 20 11.107 3.050 9.456
145 HA PRO 21 HA PRO 21 16.235 4.691 13.554
146 1HB PRO 21 1HB PRO 21 15.920 6.906 15.095
147 2HB PRO 21 2HB PRO 21 17.199 6.813 13.842
148 1HG PRO 21 1HG PRO 21 14.487 8.036 13.662
149 2HG PRO 21 2HG PRO 21 16.028 8.806 13.161
150 1HD PRO 21 HD2 PRO 21 14.333 7.573 11.375
151 2HD PRO 21 HD3 PRO 21 16.111 7.512 11.179
152 H ASP 22 HN ASP 22 15.166 4.469 15.824
153 HA ASP 22 HA ASP 22 12.364 4.034 15.329
154 1HB ASP 22 1HB ASP 22 13.428 3.392 18.019
155 2HB ASP 22 2HB ASP 22 12.519 2.381 16.914
156 HD2 ASP 22 HD2 ASP 22 16.335 2.138 17.473
157 H ASP 23 HN ASP 23 13.229 6.799 15.542
158 HA ASP 23 HA ASP 23 11.563 7.591 17.701
159 1HB ASP 23 1HB ASP 23 14.109 7.299 18.498
160 2HB ASP 23 2HB ASP 23 14.310 8.853 17.712
161 HD2 ASP 23 HD2 ASP 23 13.115 10.600 20.297
162 H TRP 24 HN TRP 24 11.158 7.866 14.973
163 HA TRP 24 HA TRP 24 12.174 10.488 14.201
164 1HB TRP 24 1HB TRP 24 12.241 8.450 12.684
165 2HB TRP 24 2HB TRP 24 10.499 8.595 12.557
166 HD1 TRP 24 HD1 TRP 24 13.292 11.333 12.255
167 HE1 TRP 24 HE1 TRP 24 12.959 12.740 10.047
168 HE3 TRP 24 HE3 TRP 24 9.242 8.748 10.593
169 HZ2 TRP 24 HZ2 TRP 24 11.082 12.617 7.902
170 HZ3 TRP 24 HZ3 TRP 24 8.218 9.456 8.432
171 HH2 TRP 24 HH2 TRP 24 9.074 11.318 7.100
172 H ALA 25 HN ALA 25 10.770 12.270 13.864
173 HA ALA 25 HA ALA 25 7.970 11.818 14.620
174 1HB ALA 25 1HB ALA 25 8.326 12.965 16.520
175 2HB ALA 25 2HB ALA 25 10.012 13.298 16.059
176 3HB ALA 25 3HB ALA 25 8.711 14.391 15.528
177 H CYS 26 HN CYS 26 6.490 12.873 13.326
178 HA CYS 26 HA CYS 26 7.140 13.645 10.829
179 1HB CYS 26 1HB CYS 26 4.847 13.243 11.907
180 2HB CYS 26 2HB CYS 26 4.874 14.942 12.334
181 HA PRO 27 HA PRO 27 9.801 17.160 11.735
182 1HB PRO 27 1HB PRO 27 9.300 17.373 8.742
183 2HB PRO 27 2HB PRO 27 10.819 17.528 9.684
184 1HG PRO 27 1HG PRO 27 10.340 15.196 8.461
185 2HG PRO 27 2HG PRO 27 11.067 15.112 10.099
186 1HD PRO 27 HD2 PRO 27 8.200 14.695 9.190
187 2HD PRO 27 HD3 PRO 27 9.092 13.901 10.521
188 H VAL 28 HN VAL 28 6.564 17.015 10.281
189 HA VAL 28 HA VAL 28 6.340 19.889 10.185
190 HB VAL 28 HB VAL 28 4.371 17.639 9.730
191 1HG1 VAL 28 1HG1 VAL 28 3.308 19.795 8.447
192 2HG1 VAL 28 2HG1 VAL 28 2.834 19.259 10.077
193 3HG1 VAL 28 3HG1 VAL 28 4.019 20.573 9.880
194 1HG2 VAL 28 1HG2 VAL 28 5.247 17.470 7.688
195 2HG2 VAL 28 2HG2 VAL 28 4.937 19.197 7.393
196 3HG2 VAL 28 3HG2 VAL 28 6.477 18.681 8.119
197 H CYS 29 HN CYS 29 3.826 17.746 11.551
198 HA CYS 29 HA CYS 29 3.254 19.516 13.607
199 1HB CYS 29 1HB CYS 29 1.925 17.644 14.557
200 2HB CYS 29 2HB CYS 29 1.580 18.009 12.878
201 H GLY 30 HN GLY 30 5.179 16.442 13.492
202 1HA GLY 30 HA1 GLY 30 7.258 16.420 14.731
203 2HA GLY 30 HA2 GLY 30 6.446 17.261 16.037
204 H ALA 31 HN ALA 31 3.949 15.443 15.226
205 HA ALA 31 HA ALA 31 3.971 13.740 17.306
206 1HB ALA 31 1HB ALA 31 2.329 14.266 15.158
207 2HB ALA 31 2HB ALA 31 2.795 12.575 14.856
208 3HB ALA 31 3HB ALA 31 2.022 13.022 16.395
209 H SER 32 HN SER 32 4.260 11.346 17.453
210 HA SER 32 HA SER 32 6.829 10.690 16.508
211 1HB SER 32 1HB SER 32 6.174 8.391 17.558
212 2HB SER 32 2HB SER 32 6.331 9.779 18.615
213 HG SER 32 HG SER 32 3.843 8.791 17.502
214 H LYS 33 HN LYS 33 7.194 8.403 15.435
215 HA LYS 33 HA LYS 33 5.591 8.400 13.032
216 1HB LYS 33 1HB LYS 33 7.301 6.777 12.242
217 2HB LYS 33 2HB LYS 33 7.969 8.317 12.747
218 1HG LYS 33 1HG LYS 33 9.264 7.301 14.306
219 2HG LYS 33 2HG LYS 33 7.857 6.575 15.057
220 1HD LYS 33 HD2 LYS 33 9.340 4.778 14.351
221 2HD LYS 33 HD3 LYS 33 7.918 4.738 13.329
222 1HE LYS 33 2HE LYS 33 9.250 6.188 11.649
223 2HE LYS 33 3HE LYS 33 10.666 5.856 12.626
224 1HZ LYS 33 HZ1 LYS 33 10.781 4.043 11.277
225 2HZ LYS 33 HZ2 LYS 33 9.693 3.384 12.294
226 H ASP 34 HN ASP 34 3.915 7.779 15.089
227 HA ASP 34 HA ASP 34 3.726 4.876 14.887
228 1HB ASP 34 1HB ASP 34 4.046 5.753 17.210
229 2HB ASP 34 2HB ASP 34 2.620 6.755 17.028
230 HD2 ASP 34 HD2 ASP 34 3.183 3.193 16.640
231 H ALA 35 HN ALA 35 1.950 8.036 15.070
232 HA ALA 35 HA ALA 35 -0.592 7.021 14.506
233 1HB ALA 35 1HB ALA 35 0.654 9.520 15.022
234 2HB ALA 35 2HB ALA 35 -0.208 9.696 13.474
235 3HB ALA 35 3HB ALA 35 -1.089 9.171 14.928
236 H PHE 36 HN PHE 36 2.259 7.478 12.533
237 HA PHE 36 HA PHE 36 1.051 7.905 10.061
238 1HB PHE 36 1HB PHE 36 3.616 6.643 11.136
239 2HB PHE 36 2HB PHE 36 3.309 6.587 9.412
240 HD1 PHE 36 HD1 PHE 36 3.768 8.893 12.270
241 HD2 PHE 36 HD2 PHE 36 3.696 8.475 8.048
242 HE1 PHE 36 HE1 PHE 36 4.718 11.204 12.025
243 HE2 PHE 36 HE2 PHE 36 4.646 10.786 7.802
244 HZ PHE 36 HZ PHE 36 5.145 12.122 9.794
245 H GLU 37 HN GLU 37 0.085 6.576 8.557
246 HA GLU 37 HA GLU 37 -0.132 3.786 9.370
247 1HB GLU 37 1HB GLU 37 -2.246 5.208 9.228
248 2HB GLU 37 2HB GLU 37 -1.985 5.320 7.499
249 1HG GLU 37 1HG GLU 37 -3.563 3.475 8.087
250 2HG GLU 37 2HG GLU 37 -2.139 2.880 7.255
251 HE2 GLU 37 HE2 GLU 37 -2.723 2.061 11.131
252 H LYS 38 HN LYS 38 0.310 2.117 7.866
253 HA LYS 38 HA LYS 38 1.818 3.032 5.543
254 1HB LYS 38 1HB LYS 38 2.923 1.518 7.145
255 2HB LYS 38 2HB LYS 38 1.682 0.312 6.878
256 1HG LYS 38 1HG LYS 38 3.044 1.392 4.429
257 2HG LYS 38 2HG LYS 38 4.012 0.371 5.475
258 1HD LYS 38 HD2 LYS 38 1.467 -0.917 5.230
259 2HD LYS 38 HD3 LYS 38 1.911 -0.398 3.616
260 1HE LYS 38 2HE LYS 38 4.100 -1.664 5.227
261 2HE LYS 38 3HE LYS 38 2.793 -2.728 4.747
262 1HZ LYS 38 HZ1 LYS 38 4.445 -1.072 2.918
263 2HZ LYS 38 HZ2 LYS 38 4.444 -2.698 3.013
264 H GLN 39 HN GLN 39 0.060 3.656 4.187
265 HA GLN 39 HA GLN 39 -1.608 1.398 3.395
266 1HB GLN 39 1HB GLN 39 -2.675 3.555 4.365
267 2HB GLN 39 2HB GLN 39 -2.225 4.325 2.856
268 1HG GLN 39 1HG GLN 39 -3.416 2.057 1.880
269 2HG GLN 39 2HG GLN 39 -4.309 2.239 3.377
270 1HE2 GLN 39 1HE2 GLN 39 -5.624 3.997 3.720
271 2HE2 GLN 39 2HE2 GLN 39 -6.122 5.083 2.466
Start of MODEL 10
1 1H MET 1 HN MET 1 7.134 3.644 -2.555
2 HA MET 1 HA MET 1 5.584 2.339 -4.441
3 1HB MET 1 1HB MET 1 7.671 0.700 -3.518
4 2HB MET 1 2HB MET 1 6.349 0.246 -2.460
5 1HG MET 1 1HG MET 1 5.659 0.480 -5.368
6 2HG MET 1 2HG MET 1 6.737 -0.837 -4.948
7 1HE MET 1 1HE MET 1 5.756 -2.824 -5.079
8 2HE MET 1 2HE MET 1 5.900 -2.992 -3.312
9 3HE MET 1 3HE MET 1 4.391 -3.459 -4.131
10 H ASP 2 HN ASP 2 6.532 2.266 -0.937
11 HA ASP 2 HA ASP 2 3.755 2.109 -0.228
12 1HB ASP 2 1HB ASP 2 6.104 1.202 0.940
13 2HB ASP 2 2HB ASP 2 5.780 2.638 1.892
14 HD2 ASP 2 HD2 ASP 2 4.191 0.061 3.691
15 H ILE 3 HN ILE 3 2.918 3.739 1.484
16 HA ILE 3 HA ILE 3 4.264 6.326 1.288
17 HB ILE 3 HB ILE 3 1.354 5.799 0.682
18 1HG1 ILE 3 2HG1 ILE 3 2.797 7.354 -1.276
19 2HG1 ILE 3 3HG1 ILE 3 3.640 5.845 -0.986
20 1HG2 ILE 3 1HG2 ILE 3 0.863 8.008 0.859
21 2HG2 ILE 3 2HG2 ILE 3 2.145 7.924 2.091
22 3HG2 ILE 3 3HG2 ILE 3 2.517 8.530 0.459
23 1HD1 ILE 3 1HD1 ILE 3 0.665 5.637 -1.223
24 2HD1 ILE 3 2HD1 ILE 3 1.547 6.065 -2.708
25 3HD1 ILE 3 3HD1 ILE 3 1.935 4.556 -1.847
26 H TYR 4 HN TYR 4 4.291 7.443 3.135
27 HA TYR 4 HA TYR 4 2.820 6.251 5.440
28 1HB TYR 4 1HB TYR 4 5.583 7.334 5.077
29 2HB TYR 4 2HB TYR 4 4.781 7.632 6.628
30 HD1 TYR 4 HD1 TYR 4 5.985 6.250 8.105
31 HD2 TYR 4 HD2 TYR 4 4.467 4.627 4.429
32 HE1 TYR 4 HE1 TYR 4 6.597 3.968 8.858
33 HE2 TYR 4 HE2 TYR 4 5.080 2.346 5.182
34 HH TYR 4 HH TYR 4 6.258 1.121 6.765
35 H VAL 5 HN VAL 5 0.915 7.634 4.901
36 HA VAL 5 HA VAL 5 1.388 10.483 5.060
37 HB VAL 5 HB VAL 5 -1.070 8.778 4.641
38 1HG1 VAL 5 1HG1 VAL 5 -1.653 11.408 3.865
39 2HG1 VAL 5 2HG1 VAL 5 -2.302 10.532 5.272
40 3HG1 VAL 5 3HG1 VAL 5 -0.860 11.561 5.452
41 1HG2 VAL 5 1HG2 VAL 5 -0.095 8.671 2.596
42 2HG2 VAL 5 2HG2 VAL 5 -0.815 10.287 2.408
43 3HG2 VAL 5 3HG2 VAL 5 0.896 10.124 2.869
44 H CYS 6 HN CYS 6 1.495 11.542 6.966
45 HA CYS 6 HA CYS 6 1.080 10.283 9.390
46 1HB CYS 6 1HB CYS 6 2.449 12.346 8.923
47 2HB CYS 6 2HB CYS 6 0.955 13.260 8.889
48 H THR 7 HN THR 7 -0.658 10.554 10.980
49 HA THR 7 HA THR 7 -3.228 11.212 9.699
50 HB THR 7 HB THR 7 -4.109 9.612 11.501
51 HG1 THR 7 HG1 THR 7 -2.155 9.861 12.845
52 1HG2 THR 7 1HG2 THR 7 -2.976 7.517 10.499
53 2HG2 THR 7 2HG2 THR 7 -3.797 8.577 9.329
54 3HG2 THR 7 3HG2 THR 7 -2.025 8.634 9.490
55 H VAL 8 HN VAL 8 -1.095 12.940 11.173
56 HA VAL 8 HA VAL 8 -2.946 13.955 13.216
57 HB VAL 8 HB VAL 8 0.065 14.105 12.991
58 1HG1 VAL 8 1HG1 VAL 8 -0.417 16.172 13.928
59 2HG1 VAL 8 2HG1 VAL 8 -1.878 15.578 14.754
60 3HG1 VAL 8 3HG1 VAL 8 -0.266 15.145 15.374
61 1HG2 VAL 8 1HG2 VAL 8 -0.057 12.896 15.200
62 2HG2 VAL 8 2HG2 VAL 8 -1.801 12.682 14.912
63 3HG2 VAL 8 3HG2 VAL 8 -0.620 11.956 13.796
64 H CYS 9 HN CYS 9 -0.456 14.952 10.765
65 HA CYS 9 HA CYS 9 -1.944 17.459 10.517
66 1HB CYS 9 1HB CYS 9 0.275 18.096 9.259
67 2HB CYS 9 2HB CYS 9 0.139 18.199 11.003
68 H GLY 10 HN GLY 10 -1.059 14.418 9.052
69 1HA GLY 10 HA1 GLY 10 -2.104 13.558 7.168
70 2HA GLY 10 HA2 GLY 10 -2.476 15.177 6.609
71 H TYR 11 HN TYR 11 0.684 15.004 7.813
72 HA TYR 11 HA TYR 11 2.061 15.787 5.604
73 1HB TYR 11 1HB TYR 11 2.966 15.448 7.908
74 2HB TYR 11 2HB TYR 11 3.036 13.707 7.589
75 HD1 TYR 11 HD1 TYR 11 5.313 13.179 7.567
76 HD2 TYR 11 HD2 TYR 11 3.912 16.580 5.348
77 HE1 TYR 11 HE1 TYR 11 7.564 13.452 6.563
78 HE2 TYR 11 HE2 TYR 11 6.163 16.852 4.345
79 HH TYR 11 HH TYR 11 8.847 14.604 5.061
80 H GLU 12 HN GLU 12 3.206 14.782 3.819
81 HA GLU 12 HA GLU 12 2.261 12.063 3.334
82 1HB GLU 12 1HB GLU 12 2.173 14.498 1.642
83 2HB GLU 12 2HB GLU 12 2.797 13.086 0.813
84 1HG GLU 12 1HG GLU 12 0.317 12.730 2.487
85 2HG GLU 12 2HG GLU 12 0.152 13.597 0.975
86 HE2 GLU 12 HE2 GLU 12 -0.125 11.503 -0.918
87 H TYR 13 HN TYR 13 3.867 10.657 3.421
88 HA TYR 13 HA TYR 13 6.552 11.497 2.435
89 1HB TYR 13 1HB TYR 13 6.441 11.363 4.915
90 2HB TYR 13 2HB TYR 13 5.914 9.677 4.781
91 HD1 TYR 13 HD1 TYR 13 7.502 7.983 4.851
92 HD2 TYR 13 HD2 TYR 13 8.707 11.942 3.698
93 HE1 TYR 13 HE1 TYR 13 9.869 7.246 4.797
94 HE2 TYR 13 HE2 TYR 13 11.074 11.204 3.642
95 HH TYR 13 HH TYR 13 12.526 9.405 4.586
96 H ASP 14 HN ASP 14 7.919 9.608 1.661
97 HA ASP 14 HA ASP 14 6.207 7.395 0.868
98 1HB ASP 14 1HB ASP 14 6.783 9.224 -0.957
99 2HB ASP 14 2HB ASP 14 8.372 8.486 -0.957
100 HD2 ASP 14 HD2 ASP 14 4.960 7.125 -1.997
101 HA PRO 15 HA PRO 15 9.653 5.771 3.460
102 1HB PRO 15 1HB PRO 15 8.167 3.361 2.320
103 2HB PRO 15 2HB PRO 15 8.882 3.621 3.945
104 1HG PRO 15 1HG PRO 15 6.260 4.061 3.504
105 2HG PRO 15 2HG PRO 15 7.081 5.122 4.694
106 1HD PRO 15 HD2 PRO 15 6.074 5.720 1.946
107 2HD PRO 15 HD3 PRO 15 6.540 6.856 3.249
108 H ALA 16 HN ALA 16 11.632 6.028 2.381
109 HA ALA 16 HA ALA 16 12.622 4.065 0.763
110 1HB ALA 16 1HB ALA 16 12.593 5.657 -1.418
111 2HB ALA 16 2HB ALA 16 11.358 4.411 -1.119
112 3HB ALA 16 3HB ALA 16 11.024 6.111 -0.713
113 H PHE 17 HN PHE 17 14.003 4.918 2.647
114 HA PHE 17 HA PHE 17 15.856 6.858 1.509
115 1HB PHE 17 1HB PHE 17 14.077 7.097 3.885
116 2HB PHE 17 2HB PHE 17 15.760 7.328 4.314
117 HD1 PHE 17 HD1 PHE 17 16.544 9.488 4.279
118 HD2 PHE 17 HD2 PHE 17 13.399 8.433 1.632
119 HE1 PHE 17 HE1 PHE 17 16.424 11.863 3.475
120 HE2 PHE 17 HE2 PHE 17 13.280 10.808 0.827
121 HZ PHE 17 HZ PHE 17 14.793 12.495 1.759
122 H GLU 18 HN GLU 18 17.613 7.025 3.707
123 HA GLU 18 HA GLU 18 18.348 4.218 4.013
124 1HB GLU 18 1HB GLU 18 19.777 5.842 2.490
125 2HB GLU 18 2HB GLU 18 20.393 6.448 4.015
126 1HG GLU 18 1HG GLU 18 20.590 3.732 4.440
127 2HG GLU 18 2HG GLU 18 20.838 3.801 2.707
128 HE2 GLU 18 HE2 GLU 18 23.448 3.354 4.097
129 H ASP 19 HN ASP 19 18.784 7.546 5.409
130 HA ASP 19 HA ASP 19 19.486 6.446 7.926
131 1HB ASP 19 1HB ASP 19 19.833 8.892 6.661
132 2HB ASP 19 2HB ASP 19 18.565 9.275 7.809
133 HD2 ASP 19 HD2 ASP 19 21.480 10.315 8.871
134 H LEU 20 HN LEU 20 17.753 5.319 8.912
135 HA LEU 20 HA LEU 20 15.362 6.921 9.433
136 1HB LEU 20 1HB LEU 20 15.074 5.298 7.490
137 2HB LEU 20 2HB LEU 20 15.222 4.009 8.668
138 HG LEU 20 HG LEU 20 13.196 6.151 9.178
139 1HD1 LEU 20 1HD1 LEU 20 12.222 5.867 7.190
140 2HD1 LEU 20 2HD1 LEU 20 13.217 4.442 6.804
141 3HD1 LEU 20 3HD1 LEU 20 11.746 4.260 7.789
142 1HD2 LEU 20 1HD2 LEU 20 12.646 4.755 10.808
143 2HD2 LEU 20 2HD2 LEU 20 12.227 3.515 9.601
144 3HD2 LEU 20 3HD2 LEU 20 13.880 3.595 10.258
145 HA PRO 21 HA PRO 21 17.449 5.623 13.306
146 1HB PRO 21 1HB PRO 21 15.478 7.800 14.092
147 2HB PRO 21 2HB PRO 21 17.157 7.495 14.642
148 1HG PRO 21 1HG PRO 21 16.775 9.432 12.743
149 2HG PRO 21 2HG PRO 21 18.163 8.302 12.617
150 1HD PRO 21 HD2 PRO 21 15.437 8.238 11.239
151 2HD PRO 21 HD3 PRO 21 17.054 7.898 10.552
152 H ASP 22 HN ASP 22 16.292 4.981 15.490
153 HA ASP 22 HA ASP 22 13.972 3.469 14.678
154 1HB ASP 22 1HB ASP 22 14.354 2.578 17.156
155 2HB ASP 22 2HB ASP 22 15.381 2.032 15.846
156 HD2 ASP 22 HD2 ASP 22 17.389 2.054 16.375
157 H ASP 23 HN ASP 23 13.617 6.326 14.947
158 HA ASP 23 HA ASP 23 11.478 6.362 16.736
159 1HB ASP 23 1HB ASP 23 12.579 8.427 18.032
160 2HB ASP 23 2HB ASP 23 12.779 6.783 18.608
161 HD2 ASP 23 HD2 ASP 23 14.851 8.203 15.962
162 H TRP 24 HN TRP 24 11.590 6.877 14.039
163 HA TRP 24 HA TRP 24 12.260 9.517 13.336
164 1HB TRP 24 1HB TRP 24 11.889 7.400 11.884
165 2HB TRP 24 2HB TRP 24 10.198 7.859 11.915
166 HD1 TRP 24 HD1 TRP 24 13.439 9.975 11.264
167 HE1 TRP 24 HE1 TRP 24 13.147 11.449 9.095
168 HE3 TRP 24 HE3 TRP 24 8.755 8.340 10.145
169 HZ2 TRP 24 HZ2 TRP 24 11.038 11.759 7.197
170 HZ3 TRP 24 HZ3 TRP 24 7.651 9.279 8.118
171 HH2 TRP 24 HH2 TRP 24 8.715 10.931 6.666
172 H ALA 25 HN ALA 25 11.023 11.412 13.345
173 HA ALA 25 HA ALA 25 8.294 11.149 14.395
174 1HB ALA 25 1HB ALA 25 8.849 12.318 16.229
175 2HB ALA 25 2HB ALA 25 10.554 12.249 15.725
176 3HB ALA 25 3HB ALA 25 9.534 13.620 15.227
177 H CYS 26 HN CYS 26 6.760 12.434 13.379
178 HA CYS 26 HA CYS 26 7.200 13.259 10.827
179 1HB CYS 26 1HB CYS 26 4.994 12.887 11.886
180 2HB CYS 26 2HB CYS 26 5.169 14.396 12.762
181 HA PRO 27 HA PRO 27 9.605 16.946 11.337
182 1HB PRO 27 1HB PRO 27 9.510 17.849 8.781
183 2HB PRO 27 2HB PRO 27 10.339 16.313 9.196
184 1HG PRO 27 1HG PRO 27 7.335 16.478 8.102
185 2HG PRO 27 2HG PRO 27 8.820 15.636 7.553
186 1HD PRO 27 HD2 PRO 27 6.982 14.523 9.311
187 2HD PRO 27 HD3 PRO 27 8.731 14.144 9.374
188 H VAL 28 HN VAL 28 6.227 16.722 11.040
189 HA VAL 28 HA VAL 28 6.000 19.653 11.013
190 HB VAL 28 HB VAL 28 3.951 17.555 10.272
191 1HG1 VAL 28 1HG1 VAL 28 3.723 20.508 9.712
192 2HG1 VAL 28 2HG1 VAL 28 2.448 19.268 9.779
193 3HG1 VAL 28 3HG1 VAL 28 3.216 19.839 11.281
194 1HG2 VAL 28 1HG2 VAL 28 5.908 17.830 8.682
195 2HG2 VAL 28 2HG2 VAL 28 4.297 18.132 7.987
196 3HG2 VAL 28 3HG2 VAL 28 5.351 19.500 8.417
197 H CYS 29 HN CYS 29 3.461 17.363 12.000
198 HA CYS 29 HA CYS 29 2.800 18.647 14.281
199 1HB CYS 29 1HB CYS 29 1.838 16.473 15.047
200 2HB CYS 29 2HB CYS 29 1.357 16.986 13.441
201 H GLY 30 HN GLY 30 5.236 16.010 13.800
202 1HA GLY 30 HA1 GLY 30 7.281 16.022 14.978
203 2HA GLY 30 HA2 GLY 30 6.508 16.836 16.324
204 H ALA 31 HN ALA 31 4.174 14.690 15.423
205 HA ALA 31 HA ALA 31 4.512 13.038 17.626
206 1HB ALA 31 1HB ALA 31 3.012 11.953 15.301
207 2HB ALA 31 2HB ALA 31 2.485 12.221 16.980
208 3HB ALA 31 3HB ALA 31 2.526 13.580 15.832
209 H SER 32 HN SER 32 4.755 10.579 17.531
210 HA SER 32 HA SER 32 7.202 10.063 16.169
211 1HB SER 32 1HB SER 32 7.284 8.038 17.467
212 2HB SER 32 2HB SER 32 6.664 9.290 18.523
213 HG SER 32 HG SER 32 5.018 7.396 17.073
214 H LYS 33 HN LYS 33 7.293 7.577 15.232
215 HA LYS 33 HA LYS 33 5.465 7.647 13.007
216 1HB LYS 33 1HB LYS 33 6.887 5.982 12.037
217 2HB LYS 33 2HB LYS 33 7.902 7.225 12.740
218 1HG LYS 33 1HG LYS 33 7.234 5.027 14.625
219 2HG LYS 33 2HG LYS 33 8.144 4.498 13.223
220 1HD LYS 33 HD2 LYS 33 9.687 6.581 13.740
221 2HD LYS 33 HD3 LYS 33 8.939 6.537 15.325
222 1HE LYS 33 2HE LYS 33 9.930 3.908 14.277
223 2HE LYS 33 3HE LYS 33 11.165 5.088 14.670
224 1HZ LYS 33 HZ1 LYS 33 9.158 4.946 16.708
225 2HZ LYS 33 HZ2 LYS 33 9.860 3.496 16.475
226 H ASP 34 HN ASP 34 3.886 7.366 15.182
227 HA ASP 34 HA ASP 34 3.353 4.500 15.248
228 1HB ASP 34 1HB ASP 34 3.875 5.540 17.461
229 2HB ASP 34 2HB ASP 34 2.573 6.690 17.232
230 HD2 ASP 34 HD2 ASP 34 0.411 4.799 18.826
231 H ALA 35 HN ALA 35 1.987 7.850 15.090
232 HA ALA 35 HA ALA 35 -0.687 7.012 14.687
233 1HB ALA 35 1HB ALA 35 -0.894 9.178 15.248
234 2HB ALA 35 2HB ALA 35 0.839 9.468 14.960
235 3HB ALA 35 3HB ALA 35 -0.320 9.602 13.617
236 H PHE 36 HN PHE 36 2.168 7.344 12.651
237 HA PHE 36 HA PHE 36 0.873 7.719 10.201
238 1HB PHE 36 1HB PHE 36 3.498 6.490 11.188
239 2HB PHE 36 2HB PHE 36 3.138 6.516 9.474
240 HD1 PHE 36 HD1 PHE 36 3.816 8.619 12.417
241 HD2 PHE 36 HD2 PHE 36 3.294 8.539 8.206
242 HE1 PHE 36 HE1 PHE 36 4.726 10.953 12.260
243 HE2 PHE 36 HE2 PHE 36 4.204 10.873 8.049
244 HZ PHE 36 HZ PHE 36 4.909 12.052 10.079
245 H GLU 37 HN GLU 37 -0.093 6.328 8.754
246 HA GLU 37 HA GLU 37 0.256 3.498 9.208
247 1HB GLU 37 1HB GLU 37 -1.928 4.672 10.333
248 2HB GLU 37 2HB GLU 37 -2.572 4.358 8.733
249 1HG GLU 37 1HG GLU 37 -1.520 1.943 9.084
250 2HG GLU 37 2HG GLU 37 -1.550 2.375 10.782
251 HE2 GLU 37 HE2 GLU 37 -5.112 2.450 8.925
252 H LYS 38 HN LYS 38 0.357 2.356 7.283
253 HA LYS 38 HA LYS 38 0.673 3.715 4.907
254 1HB LYS 38 1HB LYS 38 1.507 1.422 5.493
255 2HB LYS 38 2HB LYS 38 -0.114 0.807 5.246
256 1HG LYS 38 1HG LYS 38 1.189 2.467 3.070
257 2HG LYS 38 2HG LYS 38 1.642 0.784 3.251
258 1HD LYS 38 HD2 LYS 38 -1.300 1.315 3.286
259 2HD LYS 38 HD3 LYS 38 -0.501 1.649 1.762
260 1HE LYS 38 2HE LYS 38 0.223 -0.939 3.102
261 2HE LYS 38 3HE LYS 38 -1.402 -0.827 2.455
262 1HZ LYS 38 HZ1 LYS 38 -0.585 -0.996 0.379
263 2HZ LYS 38 HZ2 LYS 38 0.502 0.198 0.594
264 H GLN 39 HN GLN 39 -0.648 4.297 3.199
265 HA GLN 39 HA GLN 39 -3.458 3.604 3.525
266 1HB GLN 39 1HB GLN 39 -2.424 6.154 3.975
267 2HB GLN 39 2HB GLN 39 -2.978 6.259 2.317
268 1HG GLN 39 1HG GLN 39 -5.228 5.555 2.938
269 2HG GLN 39 2HG GLN 39 -4.714 5.140 4.561
270 1HE2 GLN 39 1HE2 GLN 39 -4.033 6.802 5.995
271 2HE2 GLN 39 2HE2 GLN 39 -4.619 8.424 5.840
Start of MODEL 11
1 1H MET 1 HN MET 1 -0.110 1.889 -1.714
2 HA MET 1 HA MET 1 1.898 0.783 -2.852
3 1HB MET 1 1HB MET 1 1.906 3.690 -3.682
4 2HB MET 1 2HB MET 1 3.462 2.980 -3.303
5 1HG MET 1 1HG MET 1 3.461 1.644 -5.178
6 2HG MET 1 2HG MET 1 1.755 1.268 -5.037
7 1HE MET 1 1HE MET 1 2.413 2.954 -8.605
8 2HE MET 1 2HE MET 1 3.438 1.864 -7.641
9 3HE MET 1 3HE MET 1 1.699 1.526 -7.819
10 H ASP 2 HN ASP 2 4.205 1.352 -1.816
11 HA ASP 2 HA ASP 2 3.776 1.408 0.917
12 1HB ASP 2 1HB ASP 2 6.045 1.235 -0.949
13 2HB ASP 2 2HB ASP 2 6.474 2.132 0.494
14 HD2 ASP 2 HD2 ASP 2 7.865 -0.210 0.869
15 H ILE 3 HN ILE 3 2.811 3.348 1.703
16 HA ILE 3 HA ILE 3 4.506 5.710 1.535
17 HB ILE 3 HB ILE 3 1.726 5.461 0.487
18 1HG1 ILE 3 2HG1 ILE 3 3.497 7.514 -0.599
19 2HG1 ILE 3 3HG1 ILE 3 4.241 5.927 -0.620
20 1HG2 ILE 3 1HG2 ILE 3 1.471 7.038 2.333
21 2HG2 ILE 3 2HG2 ILE 3 2.837 7.999 1.716
22 3HG2 ILE 3 3HG2 ILE 3 1.341 7.863 0.761
23 1HD1 ILE 3 1HD1 ILE 3 2.760 5.100 -2.169
24 2HD1 ILE 3 2HD1 ILE 3 1.382 5.985 -1.473
25 3HD1 ILE 3 3HD1 ILE 3 2.524 6.822 -2.552
26 H TYR 4 HN TYR 4 4.320 7.078 3.298
27 HA TYR 4 HA TYR 4 2.741 5.966 5.571
28 1HB TYR 4 1HB TYR 4 5.524 7.158 5.467
29 2HB TYR 4 2HB TYR 4 4.610 6.988 6.975
30 HD1 TYR 4 HD1 TYR 4 4.108 4.765 7.901
31 HD2 TYR 4 HD2 TYR 4 6.473 5.236 4.345
32 HE1 TYR 4 HE1 TYR 4 4.901 2.425 8.117
33 HE2 TYR 4 HE2 TYR 4 7.264 2.896 4.562
34 HH TYR 4 HH TYR 4 6.523 0.893 7.373
35 H VAL 5 HN VAL 5 0.958 7.456 4.880
36 HA VAL 5 HA VAL 5 1.604 10.273 5.050
37 HB VAL 5 HB VAL 5 -0.901 8.707 4.427
38 1HG1 VAL 5 1HG1 VAL 5 -1.489 11.254 3.655
39 2HG1 VAL 5 2HG1 VAL 5 -2.008 10.521 5.193
40 3HG1 VAL 5 3HG1 VAL 5 -0.561 11.557 5.144
41 1HG2 VAL 5 1HG2 VAL 5 1.288 9.890 2.856
42 2HG2 VAL 5 2HG2 VAL 5 0.115 8.624 2.422
43 3HG2 VAL 5 3HG2 VAL 5 -0.337 10.340 2.284
44 H CYS 6 HN CYS 6 1.724 11.268 6.990
45 HA CYS 6 HA CYS 6 1.140 10.146 9.379
46 1HB CYS 6 1HB CYS 6 2.413 12.254 8.959
47 2HB CYS 6 2HB CYS 6 0.889 13.092 8.743
48 H THR 7 HN THR 7 -0.683 10.403 10.897
49 HA THR 7 HA THR 7 -3.227 10.832 9.475
50 HB THR 7 HB THR 7 -4.091 9.249 11.299
51 HG1 THR 7 HG1 THR 7 -2.225 9.686 12.722
52 1HG2 THR 7 1HG2 THR 7 -1.814 8.285 9.495
53 2HG2 THR 7 2HG2 THR 7 -2.853 7.189 10.435
54 3HG2 THR 7 3HG2 THR 7 -3.557 8.199 9.149
55 H VAL 8 HN VAL 8 -1.270 12.745 10.973
56 HA VAL 8 HA VAL 8 -3.282 13.729 12.875
57 HB VAL 8 HB VAL 8 -0.280 13.789 12.839
58 1HG1 VAL 8 1HG1 VAL 8 -2.131 15.730 14.240
59 2HG1 VAL 8 2HG1 VAL 8 -0.488 15.383 14.829
60 3HG1 VAL 8 3HG1 VAL 8 -0.724 16.082 13.209
61 1HG2 VAL 8 1HG2 VAL 8 -1.135 11.955 14.058
62 2HG2 VAL 8 2HG2 VAL 8 -0.712 13.173 15.285
63 3HG2 VAL 8 3HG2 VAL 8 -2.412 12.940 14.810
64 H CYS 9 HN CYS 9 -0.716 14.762 10.520
65 HA CYS 9 HA CYS 9 -2.312 17.177 10.095
66 1HB CYS 9 1HB CYS 9 -0.096 17.928 8.953
67 2HB CYS 9 2HB CYS 9 -0.272 17.998 10.695
68 H GLY 10 HN GLY 10 -1.185 14.136 8.797
69 1HA GLY 10 HA1 GLY 10 -2.070 13.143 6.899
70 2HA GLY 10 HA2 GLY 10 -2.528 14.711 6.267
71 H TYR 11 HN TYR 11 0.582 14.782 7.616
72 HA TYR 11 HA TYR 11 2.002 15.596 5.442
73 1HB TYR 11 1HB TYR 11 2.833 15.404 7.782
74 2HB TYR 11 2HB TYR 11 3.011 13.656 7.549
75 HD1 TYR 11 HD1 TYR 11 5.328 13.317 7.713
76 HD2 TYR 11 HD2 TYR 11 3.811 16.409 5.147
77 HE1 TYR 11 HE1 TYR 11 7.605 13.669 6.794
78 HE2 TYR 11 HE2 TYR 11 6.088 16.762 4.227
79 HH TYR 11 HH TYR 11 8.940 15.227 5.575
80 H GLU 12 HN GLU 12 3.531 14.509 3.910
81 HA GLU 12 HA GLU 12 2.636 11.784 3.372
82 1HB GLU 12 1HB GLU 12 2.775 14.166 1.581
83 2HB GLU 12 2HB GLU 12 3.393 12.679 0.890
84 1HG GLU 12 1HG GLU 12 1.136 11.650 1.914
85 2HG GLU 12 2HG GLU 12 0.595 13.316 1.835
86 HE2 GLU 12 HE2 GLU 12 -0.767 12.038 0.306
87 H TYR 13 HN TYR 13 4.207 10.317 3.274
88 HA TYR 13 HA TYR 13 7.018 11.295 3.198
89 1HB TYR 13 1HB TYR 13 6.170 10.071 5.238
90 2HB TYR 13 2HB TYR 13 5.947 8.644 4.211
91 HD1 TYR 13 HD1 TYR 13 7.615 7.057 4.338
92 HD2 TYR 13 HD2 TYR 13 8.641 11.197 4.853
93 HE1 TYR 13 HE1 TYR 13 9.986 6.425 4.701
94 HE2 TYR 13 HE2 TYR 13 11.011 10.564 5.217
95 HH TYR 13 HH TYR 13 12.572 8.703 4.754
96 H ASP 14 HN ASP 14 8.608 10.014 1.936
97 HA ASP 14 HA ASP 14 7.290 8.349 -0.053
98 1HB ASP 14 1HB ASP 14 7.991 10.795 -0.770
99 2HB ASP 14 2HB ASP 14 9.624 10.162 -0.752
100 HD2 ASP 14 HD2 ASP 14 9.910 8.264 -2.507
101 HA PRO 15 HA PRO 15 10.435 5.912 2.337
102 1HB PRO 15 1HB PRO 15 9.300 4.052 0.210
103 2HB PRO 15 2HB PRO 15 9.707 3.742 1.929
104 1HG PRO 15 1HG PRO 15 7.207 4.269 1.184
105 2HG PRO 15 2HG PRO 15 7.712 4.794 2.823
106 1HD PRO 15 HD2 PRO 15 7.094 6.408 0.404
107 2HD PRO 15 HD3 PRO 15 7.320 6.957 2.093
108 H ALA 16 HN ALA 16 12.476 6.703 1.680
109 HA ALA 16 HA ALA 16 13.676 5.451 -0.535
110 1HB ALA 16 1HB ALA 16 14.114 7.673 -1.774
111 2HB ALA 16 2HB ALA 16 12.511 6.929 -1.975
112 3HB ALA 16 3HB ALA 16 12.720 8.308 -0.868
113 H PHE 17 HN PHE 17 14.038 5.830 2.338
114 HA PHE 17 HA PHE 17 16.398 7.563 2.371
115 1HB PHE 17 1HB PHE 17 16.029 7.354 4.881
116 2HB PHE 17 2HB PHE 17 14.634 8.025 4.060
117 HD1 PHE 17 HD1 PHE 17 15.907 5.247 6.000
118 HD2 PHE 17 HD2 PHE 17 12.627 6.612 3.680
119 HE1 PHE 17 HE1 PHE 17 14.459 3.454 6.993
120 HE2 PHE 17 HE2 PHE 17 11.179 4.819 4.674
121 HZ PHE 17 HZ PHE 17 12.112 3.261 6.318
122 H GLU 18 HN GLU 18 18.021 6.647 4.233
123 HA GLU 18 HA GLU 18 18.339 3.804 3.689
124 1HB GLU 18 1HB GLU 18 19.885 5.320 2.304
125 2HB GLU 18 2HB GLU 18 20.660 5.771 3.810
126 1HG GLU 18 1HG GLU 18 21.726 3.747 4.026
127 2HG GLU 18 2HG GLU 18 20.335 2.837 3.469
128 HE2 GLU 18 HE2 GLU 18 21.802 5.119 0.857
129 H ASP 19 HN ASP 19 18.331 2.666 5.575
130 HA ASP 19 HA ASP 19 18.342 2.250 7.713
131 1HB ASP 19 1HB ASP 19 20.967 3.305 7.003
132 2HB ASP 19 2HB ASP 19 20.618 3.687 8.677
133 HD2 ASP 19 HD2 ASP 19 21.932 0.198 7.732
134 H LEU 20 HN LEU 20 16.465 3.529 8.356
135 HA LEU 20 HA LEU 20 16.963 6.265 9.193
136 1HB LEU 20 1HB LEU 20 15.031 6.110 7.933
137 2HB LEU 20 2HB LEU 20 14.542 4.591 8.655
138 HG LEU 20 HG LEU 20 14.528 6.382 10.796
139 1HD1 LEU 20 1HD1 LEU 20 14.734 8.151 8.930
140 2HD1 LEU 20 2HD1 LEU 20 13.041 7.742 8.560
141 3HD1 LEU 20 3HD1 LEU 20 13.475 8.362 10.170
142 1HD2 LEU 20 1HD2 LEU 20 12.929 4.478 9.966
143 2HD2 LEU 20 2HD2 LEU 20 12.314 5.796 10.993
144 3HD2 LEU 20 3HD2 LEU 20 12.030 5.829 9.235
145 HA PRO 21 HA PRO 21 17.595 5.440 13.420
146 1HB PRO 21 1HB PRO 21 16.303 7.635 14.513
147 2HB PRO 21 2HB PRO 21 17.880 7.724 13.663
148 1HG PRO 21 1HG PRO 21 15.124 8.264 12.447
149 2HG PRO 21 2HG PRO 21 16.577 9.313 12.353
150 1HD PRO 21 HD2 PRO 21 16.036 7.609 10.346
151 2HD PRO 21 HD3 PRO 21 17.712 7.699 10.966
152 H ASP 22 HN ASP 22 16.247 5.228 15.572
153 HA ASP 22 HA ASP 22 13.724 4.033 14.778
154 1HB ASP 22 1HB ASP 22 13.943 3.060 17.209
155 2HB ASP 22 2HB ASP 22 14.944 2.396 15.934
156 HD2 ASP 22 HD2 ASP 22 16.737 3.492 19.098
157 H ASP 23 HN ASP 23 13.352 6.684 14.795
158 HA ASP 23 HA ASP 23 11.507 7.170 16.727
159 1HB ASP 23 1HB ASP 23 14.290 7.920 17.514
160 2HB ASP 23 2HB ASP 23 13.097 9.182 17.745
161 HD2 ASP 23 HD2 ASP 23 11.086 6.922 19.536
162 H TRP 24 HN TRP 24 10.944 7.729 14.341
163 HA TRP 24 HA TRP 24 12.067 10.271 13.463
164 1HB TRP 24 1HB TRP 24 11.828 8.243 11.957
165 2HB TRP 24 2HB TRP 24 10.097 8.507 12.012
166 HD1 TRP 24 HD1 TRP 24 13.064 10.990 11.353
167 HE1 TRP 24 HE1 TRP 24 12.583 12.440 9.202
168 HE3 TRP 24 HE3 TRP 24 8.594 8.828 10.256
169 HZ2 TRP 24 HZ2 TRP 24 10.434 12.518 7.324
170 HZ3 TRP 24 HZ3 TRP 24 7.369 9.650 8.246
171 HH2 TRP 24 HH2 TRP 24 8.220 11.429 6.804
172 H ALA 25 HN ALA 25 10.795 12.163 13.287
173 HA ALA 25 HA ALA 25 8.068 11.931 14.356
174 1HB ALA 25 1HB ALA 25 10.017 12.877 15.890
175 2HB ALA 25 2HB ALA 25 9.765 14.349 14.922
176 3HB ALA 25 3HB ALA 25 8.419 13.659 15.861
177 H CYS 26 HN CYS 26 6.507 13.123 13.267
178 HA CYS 26 HA CYS 26 6.991 13.807 10.651
179 1HB CYS 26 1HB CYS 26 4.780 13.369 11.931
180 2HB CYS 26 2HB CYS 26 4.799 15.090 12.263
181 HA PRO 27 HA PRO 27 9.111 17.675 11.090
182 1HB PRO 27 1HB PRO 27 8.979 18.467 8.476
183 2HB PRO 27 2HB PRO 27 9.980 17.075 9.004
184 1HG PRO 27 1HG PRO 27 7.111 16.924 7.800
185 2HG PRO 27 2HG PRO 27 8.643 16.103 7.353
186 1HD PRO 27 HD2 PRO 27 6.781 14.986 9.057
187 2HD PRO 27 HD3 PRO 27 8.538 14.715 9.263
188 H VAL 28 HN VAL 28 5.763 17.182 10.650
189 HA VAL 28 HA VAL 28 5.309 20.078 10.466
190 HB VAL 28 HB VAL 28 3.457 17.756 9.895
191 1HG1 VAL 28 1HG1 VAL 28 2.938 20.551 10.416
192 2HG1 VAL 28 2HG1 VAL 28 2.476 20.138 8.748
193 3HG1 VAL 28 3HG1 VAL 28 1.791 19.224 10.114
194 1HG2 VAL 28 1HG2 VAL 28 5.019 19.607 8.076
195 2HG2 VAL 28 2HG2 VAL 28 5.075 17.829 8.153
196 3HG2 VAL 28 3HG2 VAL 28 3.625 18.646 7.522
197 H CYS 29 HN CYS 29 2.997 17.646 11.668
198 HA CYS 29 HA CYS 29 2.248 19.070 13.853
199 1HB CYS 29 1HB CYS 29 1.408 16.919 14.772
200 2HB CYS 29 2HB CYS 29 0.920 17.255 13.122
201 H GLY 30 HN GLY 30 4.759 16.457 13.596
202 1HA GLY 30 HA1 GLY 30 6.844 16.743 14.731
203 2HA GLY 30 HA2 GLY 30 6.005 17.551 16.041
204 H ALA 31 HN ALA 31 3.787 15.279 15.369
205 HA ALA 31 HA ALA 31 4.266 13.729 17.590
206 1HB ALA 31 1HB ALA 31 2.766 12.086 16.004
207 2HB ALA 31 2HB ALA 31 2.109 13.472 16.908
208 3HB ALA 31 3HB ALA 31 2.524 13.649 15.187
209 H SER 32 HN SER 32 4.684 11.291 17.613
210 HA SER 32 HA SER 32 7.132 10.882 16.182
211 1HB SER 32 1HB SER 32 7.393 8.915 17.627
212 2HB SER 32 2HB SER 32 6.955 10.311 18.591
213 HG SER 32 HG SER 32 4.616 9.370 18.095
214 H LYS 33 HN LYS 33 7.405 8.346 15.472
215 HA LYS 33 HA LYS 33 5.510 8.032 13.354
216 1HB LYS 33 1HB LYS 33 7.924 7.646 13.047
217 2HB LYS 33 2HB LYS 33 7.871 6.322 14.193
218 1HG LYS 33 1HG LYS 33 6.314 5.068 12.754
219 2HG LYS 33 2HG LYS 33 6.179 6.423 11.653
220 1HD LYS 33 HD2 LYS 33 8.900 5.218 12.245
221 2HD LYS 33 HD3 LYS 33 7.838 4.451 11.082
222 1HE LYS 33 2HE LYS 33 7.671 7.057 10.230
223 2HE LYS 33 3HE LYS 33 9.292 7.059 10.894
224 1HZ LYS 33 HZ1 LYS 33 9.315 6.366 8.571
225 2HZ LYS 33 HZ2 LYS 33 9.794 5.111 9.494
226 H ASP 34 HN ASP 34 3.868 7.979 15.415
227 HA ASP 34 HA ASP 34 3.498 5.143 15.985
228 1HB ASP 34 1HB ASP 34 3.844 6.598 17.989
229 2HB ASP 34 2HB ASP 34 2.491 7.598 17.501
230 HD2 ASP 34 HD2 ASP 34 0.897 6.202 19.785
231 H ALA 35 HN ALA 35 1.840 8.324 15.369
232 HA ALA 35 HA ALA 35 -0.694 7.158 14.886
233 1HB ALA 35 1HB ALA 35 0.056 9.601 15.549
234 2HB ALA 35 2HB ALA 35 0.160 9.831 13.787
235 3HB ALA 35 3HB ALA 35 -1.384 9.353 14.534
236 H PHE 36 HN PHE 36 2.240 7.627 12.997
237 HA PHE 36 HA PHE 36 1.135 7.703 10.450
238 1HB PHE 36 1HB PHE 36 3.717 6.729 11.762
239 2HB PHE 36 2HB PHE 36 3.502 6.483 10.040
240 HD1 PHE 36 HD1 PHE 36 3.727 9.067 12.671
241 HD2 PHE 36 HD2 PHE 36 3.782 8.267 8.504
242 HE1 PHE 36 HE1 PHE 36 4.542 11.400 12.235
243 HE2 PHE 36 HE2 PHE 36 4.597 10.602 8.067
244 HZ PHE 36 HZ PHE 36 4.968 12.139 9.938
245 H GLU 37 HN GLU 37 0.318 6.172 9.058
246 HA GLU 37 HA GLU 37 0.529 3.411 9.971
247 1HB GLU 37 1HB GLU 37 -1.789 4.707 10.212
248 2HB GLU 37 2HB GLU 37 -1.931 4.360 8.501
249 1HG GLU 37 1HG GLU 37 -2.051 2.046 8.827
250 2HG GLU 37 2HG GLU 37 -1.108 2.092 10.304
251 HE2 GLU 37 HE2 GLU 37 -4.494 3.113 9.320
252 H LYS 38 HN LYS 38 0.493 1.781 8.241
253 HA LYS 38 HA LYS 38 1.723 2.826 5.847
254 1HB LYS 38 1HB LYS 38 2.487 0.788 7.237
255 2HB LYS 38 2HB LYS 38 1.169 -0.075 6.470
256 1HG LYS 38 1HG LYS 38 3.091 1.519 4.754
257 2HG LYS 38 2HG LYS 38 3.582 -0.051 5.356
258 1HD LYS 38 HD2 LYS 38 0.849 0.063 4.140
259 2HD LYS 38 HD3 LYS 38 2.180 0.318 3.029
260 1HE LYS 38 2HE LYS 38 1.776 -2.055 3.046
261 2HE LYS 38 3HE LYS 38 3.253 -1.812 3.958
262 1HZ LYS 38 HZ1 LYS 38 2.225 -2.405 5.896
263 2HZ LYS 38 HZ2 LYS 38 0.787 -1.744 5.510
264 H GLN 39 HN GLN 39 0.357 3.694 4.362
265 HA GLN 39 HA GLN 39 -1.738 1.940 3.433
266 1HB GLN 39 1HB GLN 39 -2.295 4.191 5.085
267 2HB GLN 39 2HB GLN 39 -2.750 4.669 3.462
268 1HG GLN 39 1HG GLN 39 -4.713 3.627 4.252
269 2HG GLN 39 2HG GLN 39 -3.955 2.347 3.324
270 1HE2 GLN 39 1HE2 GLN 39 -3.755 0.462 4.249
271 2HE2 GLN 39 2HE2 GLN 39 -3.742 0.119 5.948
Start of MODEL 12
1 1H MET 1 HN MET 1 6.217 3.380 -3.653
2 HA MET 1 HA MET 1 4.839 1.421 -3.587
3 1HB MET 1 1HB MET 1 7.595 0.214 -3.254
4 2HB MET 1 2HB MET 1 6.272 -0.584 -2.428
5 1HG MET 1 1HG MET 1 5.138 -1.098 -4.454
6 2HG MET 1 2HG MET 1 5.975 0.149 -5.356
7 1HE MET 1 1HE MET 1 5.609 -3.408 -5.341
8 2HE MET 1 2HE MET 1 7.147 -4.155 -4.849
9 3HE MET 1 3HE MET 1 6.154 -3.291 -3.651
10 H ASP 2 HN ASP 2 3.685 1.064 -1.653
11 HA ASP 2 HA ASP 2 3.123 1.283 0.429
12 1HB ASP 2 1HB ASP 2 5.998 0.668 0.608
13 2HB ASP 2 2HB ASP 2 5.465 1.639 1.966
14 HD2 ASP 2 HD2 ASP 2 5.264 0.096 3.586
15 H ILE 3 HN ILE 3 2.470 3.117 1.654
16 HA ILE 3 HA ILE 3 4.212 5.456 1.583
17 HB ILE 3 HB ILE 3 1.399 5.298 0.535
18 1HG1 ILE 3 2HG1 ILE 3 3.618 6.863 -0.718
19 2HG1 ILE 3 3HG1 ILE 3 3.688 5.115 -0.822
20 1HG2 ILE 3 1HG2 ILE 3 1.460 7.810 0.472
21 2HG2 ILE 3 2HG2 ILE 3 1.276 7.094 2.091
22 3HG2 ILE 3 3HG2 ILE 3 2.854 7.737 1.576
23 1HD1 ILE 3 1HD1 ILE 3 2.486 5.859 -2.769
24 2HD1 ILE 3 2HD1 ILE 3 1.265 5.174 -1.670
25 3HD1 ILE 3 3HD1 ILE 3 1.454 6.939 -1.802
26 H TYR 4 HN TYR 4 4.106 6.704 3.383
27 HA TYR 4 HA TYR 4 2.316 5.699 5.549
28 1HB TYR 4 1HB TYR 4 5.194 6.583 5.505
29 2HB TYR 4 2HB TYR 4 4.235 6.774 6.982
30 HD1 TYR 4 HD1 TYR 4 2.981 4.648 7.834
31 HD2 TYR 4 HD2 TYR 4 6.270 4.561 5.073
32 HE1 TYR 4 HE1 TYR 4 3.408 2.275 8.419
33 HE2 TYR 4 HE2 TYR 4 6.697 2.189 5.657
34 HH TYR 4 HH TYR 4 6.248 0.549 7.393
35 H VAL 5 HN VAL 5 0.585 7.203 5.285
36 HA VAL 5 HA VAL 5 1.343 10.014 5.197
37 HB VAL 5 HB VAL 5 -1.311 8.592 4.914
38 1HG1 VAL 5 1HG1 VAL 5 -2.395 10.564 4.868
39 2HG1 VAL 5 2HG1 VAL 5 -0.971 11.188 5.736
40 3HG1 VAL 5 3HG1 VAL 5 -1.088 11.374 3.970
41 1HG2 VAL 5 1HG2 VAL 5 -0.525 10.031 2.573
42 2HG2 VAL 5 2HG2 VAL 5 0.838 9.002 3.078
43 3HG2 VAL 5 3HG2 VAL 5 -0.761 8.278 2.778
44 H CYS 6 HN CYS 6 1.473 11.208 7.022
45 HA CYS 6 HA CYS 6 1.075 10.137 9.519
46 1HB CYS 6 1HB CYS 6 2.431 12.154 8.927
47 2HB CYS 6 2HB CYS 6 0.943 13.068 8.788
48 H THR 7 HN THR 7 -0.625 10.581 11.143
49 HA THR 7 HA THR 7 -3.229 11.087 9.863
50 HB THR 7 HB THR 7 -4.054 9.648 11.822
51 HG1 THR 7 HG1 THR 7 -2.068 10.027 13.088
52 1HG2 THR 7 1HG2 THR 7 -2.009 8.504 9.860
53 2HG2 THR 7 2HG2 THR 7 -2.939 7.479 10.979
54 3HG2 THR 7 3HG2 THR 7 -3.783 8.434 9.737
55 H VAL 8 HN VAL 8 -1.058 12.931 11.167
56 HA VAL 8 HA VAL 8 -2.890 14.124 13.131
57 HB VAL 8 HB VAL 8 0.117 14.296 12.856
58 1HG1 VAL 8 1HG1 VAL 8 -1.411 16.326 13.765
59 2HG1 VAL 8 2HG1 VAL 8 -1.255 15.377 15.263
60 3HG1 VAL 8 3HG1 VAL 8 0.202 15.948 14.415
61 1HG2 VAL 8 1HG2 VAL 8 -1.675 12.525 14.331
62 2HG2 VAL 8 2HG2 VAL 8 0.078 12.400 14.045
63 3HG2 VAL 8 3HG2 VAL 8 -0.534 13.376 15.402
64 H CYS 9 HN CYS 9 -0.442 14.891 10.559
65 HA CYS 9 HA CYS 9 -1.934 17.371 10.115
66 1HB CYS 9 1HB CYS 9 0.241 17.966 8.824
67 2HB CYS 9 2HB CYS 9 0.178 18.106 10.569
68 H GLY 10 HN GLY 10 -1.072 14.214 8.922
69 1HA GLY 10 HA1 GLY 10 -2.119 13.192 7.125
70 2HA GLY 10 HA2 GLY 10 -2.499 14.755 6.429
71 H TYR 11 HN TYR 11 0.670 14.698 7.619
72 HA TYR 11 HA TYR 11 2.024 15.279 5.332
73 1HB TYR 11 1HB TYR 11 2.937 15.161 7.663
74 2HB TYR 11 2HB TYR 11 3.041 13.401 7.489
75 HD1 TYR 11 HD1 TYR 11 5.327 12.919 7.493
76 HD2 TYR 11 HD2 TYR 11 3.845 16.096 5.011
77 HE1 TYR 11 HE1 TYR 11 7.568 13.153 6.455
78 HE2 TYR 11 HE2 TYR 11 6.085 16.330 3.973
79 HH TYR 11 HH TYR 11 8.834 14.235 4.894
80 H GLU 12 HN GLU 12 3.415 13.996 3.816
81 HA GLU 12 HA GLU 12 2.376 11.287 3.531
82 1HB GLU 12 1HB GLU 12 2.212 13.533 1.647
83 2HB GLU 12 2HB GLU 12 3.023 12.155 0.930
84 1HG GLU 12 1HG GLU 12 1.119 10.680 1.602
85 2HG GLU 12 2HG GLU 12 0.310 12.051 2.332
86 HE2 GLU 12 HE2 GLU 12 -0.883 13.453 0.603
87 H TYR 13 HN TYR 13 3.989 9.922 3.854
88 HA TYR 13 HA TYR 13 6.762 10.774 3.264
89 1HB TYR 13 1HB TYR 13 6.196 9.882 5.507
90 2HB TYR 13 2HB TYR 13 5.677 8.363 4.758
91 HD1 TYR 13 HD1 TYR 13 7.189 6.613 4.680
92 HD2 TYR 13 HD2 TYR 13 8.667 10.643 4.829
93 HE1 TYR 13 HE1 TYR 13 9.512 5.756 4.804
94 HE2 TYR 13 HE2 TYR 13 10.991 9.787 4.952
95 HH TYR 13 HH TYR 13 12.239 7.761 5.540
96 H ASP 14 HN ASP 14 8.237 9.253 2.097
97 HA ASP 14 HA ASP 14 6.730 7.413 0.426
98 1HB ASP 14 1HB ASP 14 7.458 9.723 -0.641
99 2HB ASP 14 2HB ASP 14 9.064 9.022 -0.659
100 HD2 ASP 14 HD2 ASP 14 9.527 7.932 -2.370
101 HA PRO 15 HA PRO 15 9.870 5.029 2.804
102 1HB PRO 15 1HB PRO 15 8.655 3.130 0.743
103 2HB PRO 15 2HB PRO 15 9.150 2.835 2.441
104 1HG PRO 15 1HG PRO 15 6.604 3.394 1.791
105 2HG PRO 15 2HG PRO 15 7.161 4.012 3.381
106 1HD PRO 15 HD2 PRO 15 6.533 5.478 0.865
107 2HD PRO 15 HD3 PRO 15 6.770 6.126 2.516
108 H ALA 16 HN ALA 16 11.780 6.109 1.948
109 HA ALA 16 HA ALA 16 13.319 4.652 0.226
110 1HB ALA 16 1HB ALA 16 11.282 6.000 -1.220
111 2HB ALA 16 2HB ALA 16 12.790 6.894 -1.525
112 3HB ALA 16 3HB ALA 16 12.702 5.151 -1.876
113 H PHE 17 HN PHE 17 14.287 5.489 2.366
114 HA PHE 17 HA PHE 17 15.718 7.955 1.728
115 1HB PHE 17 1HB PHE 17 14.088 7.148 4.176
116 2HB PHE 17 2HB PHE 17 15.478 8.189 4.412
117 HD1 PHE 17 HD1 PHE 17 12.414 7.957 2.290
118 HD2 PHE 17 HD2 PHE 17 15.173 10.476 4.302
119 HE1 PHE 17 HE1 PHE 17 11.018 9.957 1.700
120 HE2 PHE 17 HE2 PHE 17 13.776 12.477 3.713
121 HZ PHE 17 HZ PHE 17 11.716 12.193 2.419
122 H GLU 18 HN GLU 18 17.385 8.145 3.901
123 HA GLU 18 HA GLU 18 18.592 5.498 4.061
124 1HB GLU 18 1HB GLU 18 19.791 6.928 2.386
125 2HB GLU 18 2HB GLU 18 20.091 8.121 3.634
126 1HG GLU 18 1HG GLU 18 21.040 5.867 4.886
127 2HG GLU 18 2HG GLU 18 21.365 5.450 3.215
128 HE2 GLU 18 HE2 GLU 18 22.586 6.967 2.042
129 H ASP 19 HN ASP 19 18.943 4.854 6.146
130 HA ASP 19 HA ASP 19 19.426 4.948 8.274
131 1HB ASP 19 1HB ASP 19 20.540 7.385 7.386
132 2HB ASP 19 2HB ASP 19 19.521 7.859 8.729
133 HD2 ASP 19 HD2 ASP 19 22.808 7.467 9.580
134 H LEU 20 HN LEU 20 17.343 4.332 9.028
135 HA LEU 20 HA LEU 20 15.527 6.559 9.634
136 1HB LEU 20 1HB LEU 20 14.906 4.941 7.723
137 2HB LEU 20 2HB LEU 20 14.603 3.773 8.993
138 HG LEU 20 HG LEU 20 13.293 6.457 9.198
139 1HD1 LEU 20 1HD1 LEU 20 11.463 4.808 7.841
140 2HD1 LEU 20 2HD1 LEU 20 12.236 6.302 7.255
141 3HD1 LEU 20 3HD1 LEU 20 12.983 4.722 6.918
142 1HD2 LEU 20 1HD2 LEU 20 11.826 3.947 9.727
143 2HD2 LEU 20 2HD2 LEU 20 13.231 4.256 10.776
144 3HD2 LEU 20 3HD2 LEU 20 11.917 5.454 10.670
145 HA PRO 21 HA PRO 21 17.094 4.855 13.586
146 1HB PRO 21 1HB PRO 21 15.849 7.535 14.291
147 2HB PRO 21 2HB PRO 21 17.373 6.772 14.851
148 1HG PRO 21 1HG PRO 21 17.498 8.719 12.907
149 2HG PRO 21 2HG PRO 21 18.527 7.253 12.816
150 1HD PRO 21 HD2 PRO 21 15.861 7.875 11.452
151 2HD PRO 21 HD3 PRO 21 17.332 7.131 10.755
152 H ASP 22 HN ASP 22 15.772 4.662 15.766
153 HA ASP 22 HA ASP 22 13.094 3.938 14.946
154 1HB ASP 22 1HB ASP 22 13.149 2.874 17.347
155 2HB ASP 22 2HB ASP 22 14.063 2.113 16.059
156 HD2 ASP 22 HD2 ASP 22 15.382 4.030 19.161
157 H ASP 23 HN ASP 23 13.560 6.734 15.204
158 HA ASP 23 HA ASP 23 11.713 7.334 17.271
159 1HB ASP 23 1HB ASP 23 13.418 9.236 18.069
160 2HB ASP 23 2HB ASP 23 13.418 7.647 18.809
161 HD2 ASP 23 HD2 ASP 23 15.628 6.749 18.814
162 H TRP 24 HN TRP 24 11.407 7.561 14.535
163 HA TRP 24 HA TRP 24 12.273 10.173 13.660
164 1HB TRP 24 1HB TRP 24 12.170 8.071 12.229
165 2HB TRP 24 2HB TRP 24 10.427 8.261 12.236
166 HD1 TRP 24 HD1 TRP 24 13.264 10.893 11.589
167 HE1 TRP 24 HE1 TRP 24 12.784 12.226 9.362
168 HE3 TRP 24 HE3 TRP 24 9.003 8.390 10.387
169 HZ2 TRP 24 HZ2 TRP 24 10.724 12.087 7.392
170 HZ3 TRP 24 HZ3 TRP 24 7.819 9.051 8.296
171 HH2 TRP 24 HH2 TRP 24 8.613 10.831 6.820
172 H ALA 25 HN ALA 25 10.893 11.979 13.384
173 HA ALA 25 HA ALA 25 8.150 11.623 14.363
174 1HB ALA 25 1HB ALA 25 10.322 13.055 15.627
175 2HB ALA 25 2HB ALA 25 9.058 14.204 15.128
176 3HB ALA 25 3HB ALA 25 8.647 12.834 16.188
177 H CYS 26 HN CYS 26 6.603 12.678 13.149
178 HA CYS 26 HA CYS 26 7.095 13.374 10.591
179 1HB CYS 26 1HB CYS 26 4.875 13.042 11.845
180 2HB CYS 26 2HB CYS 26 4.959 14.755 12.207
181 HA PRO 27 HA PRO 27 9.861 16.866 11.221
182 1HB PRO 27 1HB PRO 27 9.147 16.983 8.262
183 2HB PRO 27 2HB PRO 27 10.725 17.197 9.087
184 1HG PRO 27 1HG PRO 27 10.112 14.832 7.945
185 2HG PRO 27 2HG PRO 27 10.972 14.766 9.519
186 1HD PRO 27 HD2 PRO 27 8.036 14.368 8.857
187 2HD PRO 27 HD3 PRO 27 9.025 13.594 10.132
188 H VAL 28 HN VAL 28 6.527 16.739 10.011
189 HA VAL 28 HA VAL 28 6.342 19.614 9.854
190 HB VAL 28 HB VAL 28 4.314 17.387 9.586
191 1HG1 VAL 28 1HG1 VAL 28 4.044 20.370 9.507
192 2HG1 VAL 28 2HG1 VAL 28 3.072 19.395 8.378
193 3HG1 VAL 28 3HG1 VAL 28 2.925 19.136 10.134
194 1HG2 VAL 28 1HG2 VAL 28 6.336 18.113 7.848
195 2HG2 VAL 28 2HG2 VAL 28 4.835 17.262 7.405
196 3HG2 VAL 28 3HG2 VAL 28 4.939 19.031 7.234
197 H CYS 29 HN CYS 29 3.897 17.542 11.438
198 HA CYS 29 HA CYS 29 3.483 19.365 13.482
199 1HB CYS 29 1HB CYS 29 2.209 17.532 14.569
200 2HB CYS 29 2HB CYS 29 1.753 17.858 12.910
201 H GLY 30 HN GLY 30 5.391 16.287 13.303
202 1HA GLY 30 HA1 GLY 30 7.540 16.265 14.401
203 2HA GLY 30 HA2 GLY 30 6.835 17.158 15.733
204 H ALA 31 HN ALA 31 4.265 15.344 15.152
205 HA ALA 31 HA ALA 31 4.424 13.706 17.283
206 1HB ALA 31 1HB ALA 31 3.071 12.825 14.721
207 2HB ALA 31 2HB ALA 31 2.520 12.622 16.401
208 3HB ALA 31 3HB ALA 31 2.486 14.231 15.641
209 H SER 32 HN SER 32 4.631 11.276 17.425
210 HA SER 32 HA SER 32 7.129 10.564 16.307
211 1HB SER 32 1HB SER 32 6.599 8.338 17.510
212 2HB SER 32 2HB SER 32 6.760 9.770 18.507
213 HG SER 32 HG SER 32 4.708 8.123 18.498
214 H LYS 33 HN LYS 33 7.322 8.178 15.345
215 HA LYS 33 HA LYS 33 5.551 8.146 13.060
216 1HB LYS 33 1HB LYS 33 7.124 6.453 12.199
217 2HB LYS 33 2HB LYS 33 7.921 7.945 12.654
218 1HG LYS 33 1HG LYS 33 9.276 6.790 14.054
219 2HG LYS 33 2HG LYS 33 7.883 6.313 15.004
220 1HD LYS 33 HD2 LYS 33 7.700 4.609 12.805
221 2HD LYS 33 HD3 LYS 33 9.435 4.749 13.017
222 1HE LYS 33 2HE LYS 33 9.195 3.132 14.613
223 2HE LYS 33 3HE LYS 33 8.597 4.421 15.640
224 1HZ LYS 33 HZ1 LYS 33 7.167 2.228 14.927
225 2HZ LYS 33 HZ2 LYS 33 6.509 3.599 15.508
226 H ASP 34 HN ASP 34 4.021 7.695 15.281
227 HA ASP 34 HA ASP 34 3.691 4.798 15.232
228 1HB ASP 34 1HB ASP 34 4.204 5.770 17.479
229 2HB ASP 34 2HB ASP 34 2.818 6.832 17.338
230 HD2 ASP 34 HD2 ASP 34 0.900 5.912 18.236
231 H ALA 35 HN ALA 35 2.121 8.054 15.221
232 HA ALA 35 HA ALA 35 -0.517 7.117 14.925
233 1HB ALA 35 1HB ALA 35 -0.204 9.702 13.748
234 2HB ALA 35 2HB ALA 35 -0.834 9.296 15.362
235 3HB ALA 35 3HB ALA 35 0.904 9.608 15.138
236 H PHE 36 HN PHE 36 2.226 7.364 12.766
237 HA PHE 36 HA PHE 36 0.866 7.708 10.353
238 1HB PHE 36 1HB PHE 36 3.475 6.432 11.313
239 2HB PHE 36 2HB PHE 36 3.056 6.346 9.613
240 HD1 PHE 36 HD1 PHE 36 3.757 8.697 12.383
241 HD2 PHE 36 HD2 PHE 36 3.381 8.202 8.185
242 HE1 PHE 36 HE1 PHE 36 4.736 10.981 12.026
243 HE2 PHE 36 HE2 PHE 36 4.359 10.486 7.829
244 HZ PHE 36 HZ PHE 36 5.025 11.848 9.753
245 H GLU 37 HN GLU 37 -0.141 6.301 8.931
246 HA GLU 37 HA GLU 37 0.080 3.481 9.479
247 1HB GLU 37 1HB GLU 37 -2.027 4.785 10.622
248 2HB GLU 37 2HB GLU 37 -2.725 4.430 9.055
249 1HG GLU 37 1HG GLU 37 -1.250 2.148 10.271
250 2HG GLU 37 2HG GLU 37 -2.651 2.665 11.190
251 HE2 GLU 37 HE2 GLU 37 -3.254 0.276 10.049
252 H LYS 38 HN LYS 38 -0.625 2.141 7.638
253 HA LYS 38 HA LYS 38 0.091 3.235 5.191
254 1HB LYS 38 1HB LYS 38 0.313 0.884 5.614
255 2HB LYS 38 2HB LYS 38 -1.402 0.706 5.927
256 1HG LYS 38 1HG LYS 38 -1.635 0.185 3.728
257 2HG LYS 38 2HG LYS 38 -1.358 1.881 3.385
258 1HD LYS 38 HD2 LYS 38 0.903 1.551 2.829
259 2HD LYS 38 HD3 LYS 38 1.048 0.108 3.815
260 1HE LYS 38 2HE LYS 38 0.242 -1.281 2.154
261 2HE LYS 38 3HE LYS 38 -0.917 -0.101 1.576
262 1HZ LYS 38 HZ1 LYS 38 1.987 -0.164 0.982
263 2HZ LYS 38 HZ2 LYS 38 0.761 -0.291 -0.082
264 H GLN 39 HN GLN 39 -0.966 4.431 3.690
265 HA GLN 39 HA GLN 39 -3.865 4.564 4.003
266 1HB GLN 39 1HB GLN 39 -2.098 6.653 4.451
267 2HB GLN 39 2HB GLN 39 -2.553 6.928 2.782
268 1HG GLN 39 1HG GLN 39 -4.859 6.230 4.504
269 2HG GLN 39 2HG GLN 39 -4.040 7.689 5.022
270 1HE2 GLN 39 1HE2 GLN 39 -4.560 9.514 4.089
271 2HE2 GLN 39 2HE2 GLN 39 -5.362 9.721 2.567
Start of MODEL 13
1 1H MET 1 HN MET 1 1.411 3.123 -3.284
2 HA MET 1 HA MET 1 3.045 0.768 -3.251
3 1HB MET 1 1HB MET 1 2.902 3.356 -4.682
4 2HB MET 1 2HB MET 1 4.550 2.963 -4.232
5 1HG MET 1 1HG MET 1 2.893 0.760 -5.450
6 2HG MET 1 2HG MET 1 3.425 2.046 -6.516
7 1HE MET 1 1HE MET 1 5.253 1.163 -7.999
8 2HE MET 1 2HE MET 1 5.808 2.604 -7.113
9 3HE MET 1 3HE MET 1 6.902 1.218 -7.331
10 H ASP 2 HN ASP 2 3.166 0.729 -0.811
11 HA ASP 2 HA ASP 2 4.074 1.209 1.115
12 1HB ASP 2 1HB ASP 2 6.560 2.013 -0.449
13 2HB ASP 2 2HB ASP 2 6.496 1.272 1.137
14 HD2 ASP 2 HD2 ASP 2 5.711 -1.910 -0.285
15 H ILE 3 HN ILE 3 2.926 3.137 1.774
16 HA ILE 3 HA ILE 3 4.520 5.570 1.553
17 HB ILE 3 HB ILE 3 1.635 5.272 0.743
18 1HG1 ILE 3 2HG1 ILE 3 3.738 6.750 -0.798
19 2HG1 ILE 3 3HG1 ILE 3 3.746 4.999 -0.831
20 1HG2 ILE 3 1HG2 ILE 3 2.049 7.904 0.434
21 2HG2 ILE 3 2HG2 ILE 3 1.333 7.194 1.900
22 3HG2 ILE 3 3HG2 ILE 3 3.061 7.621 1.870
23 1HD1 ILE 3 1HD1 ILE 3 2.371 6.138 -2.668
24 2HD1 ILE 3 2HD1 ILE 3 1.510 4.897 -1.726
25 3HD1 ILE 3 3HD1 ILE 3 1.230 6.622 -1.390
26 H TYR 4 HN TYR 4 4.462 6.837 3.339
27 HA TYR 4 HA TYR 4 2.879 5.767 5.630
28 1HB TYR 4 1HB TYR 4 5.671 6.877 5.392
29 2HB TYR 4 2HB TYR 4 4.794 6.990 6.927
30 HD1 TYR 4 HD1 TYR 4 3.672 4.705 7.722
31 HD2 TYR 4 HD2 TYR 4 6.995 5.014 5.018
32 HE1 TYR 4 HE1 TYR 4 4.336 2.380 8.272
33 HE2 TYR 4 HE2 TYR 4 7.659 2.689 5.567
34 HH TYR 4 HH TYR 4 7.096 0.766 6.684
35 H VAL 5 HN VAL 5 1.029 7.169 5.178
36 HA VAL 5 HA VAL 5 1.613 10.018 5.187
37 HB VAL 5 HB VAL 5 -0.951 8.458 4.816
38 1HG1 VAL 5 1HG1 VAL 5 -0.504 11.393 4.220
39 2HG1 VAL 5 2HG1 VAL 5 -2.037 10.489 4.250
40 3HG1 VAL 5 3HG1 VAL 5 -1.167 10.812 5.767
41 1HG2 VAL 5 1HG2 VAL 5 -0.233 8.111 2.733
42 2HG2 VAL 5 2HG2 VAL 5 -0.257 9.872 2.475
43 3HG2 VAL 5 3HG2 VAL 5 1.234 9.073 3.028
44 H CYS 6 HN CYS 6 1.563 11.216 7.017
45 HA CYS 6 HA CYS 6 1.155 10.059 9.492
46 1HB CYS 6 1HB CYS 6 2.438 12.151 8.969
47 2HB CYS 6 2HB CYS 6 0.911 12.997 8.824
48 H THR 7 HN THR 7 -0.617 10.458 11.070
49 HA THR 7 HA THR 7 -3.194 10.845 9.694
50 HB THR 7 HB THR 7 -4.007 9.377 11.666
51 HG1 THR 7 HG1 THR 7 -2.073 9.708 12.963
52 1HG2 THR 7 1HG2 THR 7 -3.144 7.258 10.720
53 2HG2 THR 7 2HG2 THR 7 -3.557 8.370 9.391
54 3HG2 THR 7 3HG2 THR 7 -1.856 8.142 9.867
55 H VAL 8 HN VAL 8 -1.127 12.739 11.140
56 HA VAL 8 HA VAL 8 -3.092 13.855 13.015
57 HB VAL 8 HB VAL 8 -0.083 13.959 12.890
58 1HG1 VAL 8 1HG1 VAL 8 -1.920 15.991 13.897
59 2HG1 VAL 8 2HG1 VAL 8 -0.845 15.367 15.170
60 3HG1 VAL 8 3HG1 VAL 8 -0.155 16.053 13.679
61 1HG2 VAL 8 1HG2 VAL 8 -1.439 12.064 14.037
62 2HG2 VAL 8 2HG2 VAL 8 -0.104 12.829 14.934
63 3HG2 VAL 8 3HG2 VAL 8 -1.789 13.286 15.284
64 H CYS 9 HN CYS 9 -0.578 14.725 10.544
65 HA CYS 9 HA CYS 9 -2.118 17.169 10.076
66 1HB CYS 9 1HB CYS 9 0.052 17.858 8.865
67 2HB CYS 9 2HB CYS 9 -0.016 17.912 10.615
68 H GLY 10 HN GLY 10 -1.158 14.042 8.878
69 1HA GLY 10 HA1 GLY 10 -2.098 12.999 7.047
70 2HA GLY 10 HA2 GLY 10 -2.565 14.548 6.375
71 H TYR 11 HN TYR 11 0.610 14.565 7.607
72 HA TYR 11 HA TYR 11 1.952 15.304 5.351
73 1HB TYR 11 1HB TYR 11 2.855 15.135 7.682
74 2HB TYR 11 2HB TYR 11 3.031 13.388 7.443
75 HD1 TYR 11 HD1 TYR 11 5.349 13.041 7.498
76 HD2 TYR 11 HD2 TYR 11 3.728 16.157 5.025
77 HE1 TYR 11 HE1 TYR 11 7.585 13.403 6.487
78 HE2 TYR 11 HE2 TYR 11 5.963 16.519 4.014
79 HH TYR 11 HH TYR 11 8.518 14.387 4.242
80 H GLU 12 HN GLU 12 3.402 14.138 3.796
81 HA GLU 12 HA GLU 12 2.489 11.399 3.407
82 1HB GLU 12 1HB GLU 12 2.189 13.697 1.617
83 2HB GLU 12 2HB GLU 12 3.092 12.413 0.841
84 1HG GLU 12 1HG GLU 12 1.265 10.787 1.565
85 2HG GLU 12 2HG GLU 12 0.344 12.160 2.149
86 HE2 GLU 12 HE2 GLU 12 -0.045 11.170 -1.527
87 H TYR 13 HN TYR 13 4.159 10.088 3.646
88 HA TYR 13 HA TYR 13 6.882 11.094 3.018
89 1HB TYR 13 1HB TYR 13 6.423 10.244 5.304
90 2HB TYR 13 2HB TYR 13 5.968 8.678 4.615
91 HD1 TYR 13 HD1 TYR 13 7.577 7.012 4.401
92 HD2 TYR 13 HD2 TYR 13 8.824 11.113 4.679
93 HE1 TYR 13 HE1 TYR 13 9.946 6.286 4.485
94 HE2 TYR 13 HE2 TYR 13 11.194 10.387 4.762
95 HH TYR 13 HH TYR 13 12.525 8.316 5.375
96 H ASP 14 HN ASP 14 8.423 9.486 1.962
97 HA ASP 14 HA ASP 14 6.944 7.589 0.334
98 1HB ASP 14 1HB ASP 14 7.609 9.887 -0.807
99 2HB ASP 14 2HB ASP 14 9.228 9.215 -0.826
100 HD2 ASP 14 HD2 ASP 14 9.620 8.529 -2.694
101 HA PRO 15 HA PRO 15 10.140 5.314 2.722
102 1HB PRO 15 1HB PRO 15 9.013 3.371 0.651
103 2HB PRO 15 2HB PRO 15 9.499 3.094 2.355
104 1HG PRO 15 1HG PRO 15 7.032 3.548 1.600
105 2HG PRO 15 2HG PRO 15 7.349 4.186 3.245
106 1HD PRO 15 HD2 PRO 15 6.817 5.641 0.735
107 2HD PRO 15 HD3 PRO 15 7.006 6.306 2.387
108 H ALA 16 HN ALA 16 12.075 6.353 1.943
109 HA ALA 16 HA ALA 16 13.511 4.933 0.023
110 1HB ALA 16 1HB ALA 16 11.897 6.026 -1.539
111 2HB ALA 16 2HB ALA 16 12.457 7.614 -0.962
112 3HB ALA 16 3HB ALA 16 13.581 6.532 -1.820
113 H PHE 17 HN PHE 17 14.508 5.246 2.305
114 HA PHE 17 HA PHE 17 16.208 7.625 2.147
115 1HB PHE 17 1HB PHE 17 14.182 6.916 4.091
116 2HB PHE 17 2HB PHE 17 15.728 6.662 4.878
117 HD1 PHE 17 HD1 PHE 17 16.346 8.426 6.208
118 HD2 PHE 17 HD2 PHE 17 14.342 9.255 2.560
119 HE1 PHE 17 HE1 PHE 17 16.514 10.886 6.674
120 HE2 PHE 17 HE2 PHE 17 14.509 11.715 3.027
121 HZ PHE 17 HZ PHE 17 15.594 12.501 5.079
122 H GLU 18 HN GLU 18 17.740 7.027 4.486
123 HA GLU 18 HA GLU 18 18.789 4.391 3.844
124 1HB GLU 18 1HB GLU 18 20.063 6.506 2.856
125 2HB GLU 18 2HB GLU 18 20.687 6.652 4.487
126 1HG GLU 18 1HG GLU 18 22.095 4.883 4.213
127 2HG GLU 18 2HG GLU 18 20.818 3.869 3.569
128 HE2 GLU 18 HE2 GLU 18 23.460 5.612 1.252
129 H ASP 19 HN ASP 19 19.299 7.209 6.098
130 HA ASP 19 HA ASP 19 19.691 5.305 8.224
131 1HB ASP 19 1HB ASP 19 20.540 8.015 7.629
132 2HB ASP 19 2HB ASP 19 19.713 8.019 9.174
133 HD2 ASP 19 HD2 ASP 19 21.255 8.123 10.538
134 H LEU 20 HN LEU 20 17.710 4.572 9.062
135 HA LEU 20 HA LEU 20 15.722 6.648 9.669
136 1HB LEU 20 1HB LEU 20 15.050 5.230 7.771
137 2HB LEU 20 2HB LEU 20 15.208 3.806 8.781
138 HG LEU 20 HG LEU 20 13.447 5.804 9.984
139 1HD1 LEU 20 1HD1 LEU 20 11.787 6.045 8.432
140 2HD1 LEU 20 2HD1 LEU 20 13.209 6.041 7.360
141 3HD1 LEU 20 3HD1 LEU 20 12.233 4.565 7.549
142 1HD2 LEU 20 1HD2 LEU 20 12.452 3.979 10.802
143 2HD2 LEU 20 2HD2 LEU 20 12.323 3.211 9.202
144 3HD2 LEU 20 3HD2 LEU 20 13.837 3.086 10.130
145 HA PRO 21 HA PRO 21 17.406 5.045 13.617
146 1HB PRO 21 1HB PRO 21 15.968 7.625 14.328
147 2HB PRO 21 2HB PRO 21 17.540 6.971 14.893
148 1HG PRO 21 1HG PRO 21 17.482 8.949 12.958
149 2HG PRO 21 2HG PRO 21 18.620 7.563 12.916
150 1HD PRO 21 HD2 PRO 21 15.956 7.969 11.465
151 2HD PRO 21 HD3 PRO 21 17.504 7.346 10.816
152 H ASP 22 HN ASP 22 15.972 5.121 15.889
153 HA ASP 22 HA ASP 22 13.397 4.070 15.029
154 1HB ASP 22 1HB ASP 22 13.463 2.916 17.319
155 2HB ASP 22 2HB ASP 22 14.630 2.349 16.140
156 HD2 ASP 22 HD2 ASP 22 14.991 2.839 19.478
157 H ASP 23 HN ASP 23 13.503 6.836 15.198
158 HA ASP 23 HA ASP 23 11.657 7.358 17.230
159 1HB ASP 23 1HB ASP 23 13.248 9.309 18.151
160 2HB ASP 23 2HB ASP 23 13.253 7.711 18.869
161 HD2 ASP 23 HD2 ASP 23 16.527 8.257 18.776
162 H TRP 24 HN TRP 24 11.295 7.679 14.588
163 HA TRP 24 HA TRP 24 12.191 10.304 13.746
164 1HB TRP 24 1HB TRP 24 12.126 8.205 12.287
165 2HB TRP 24 2HB TRP 24 10.387 8.417 12.243
166 HD1 TRP 24 HD1 TRP 24 13.262 11.038 11.740
167 HE1 TRP 24 HE1 TRP 24 12.875 12.406 9.518
168 HE3 TRP 24 HE3 TRP 24 9.044 8.569 10.334
169 HZ2 TRP 24 HZ2 TRP 24 10.895 12.304 7.466
170 HZ3 TRP 24 HZ3 TRP 24 7.946 9.265 8.207
171 HH2 TRP 24 HH2 TRP 24 8.804 11.063 6.792
172 H ALA 25 HN ALA 25 10.825 12.110 13.571
173 HA ALA 25 HA ALA 25 8.060 11.693 14.471
174 1HB ALA 25 1HB ALA 25 8.916 14.279 15.273
175 2HB ALA 25 2HB ALA 25 8.527 12.888 16.314
176 3HB ALA 25 3HB ALA 25 10.200 13.148 15.765
177 H CYS 26 HN CYS 26 6.509 12.727 13.248
178 HA CYS 26 HA CYS 26 7.027 13.471 10.704
179 1HB CYS 26 1HB CYS 26 4.795 13.066 11.946
180 2HB CYS 26 2HB CYS 26 4.823 14.787 12.274
181 HA PRO 27 HA PRO 27 9.661 17.043 11.436
182 1HB PRO 27 1HB PRO 27 9.038 17.247 8.473
183 2HB PRO 27 2HB PRO 27 10.598 17.365 9.349
184 1HG PRO 27 1HG PRO 27 10.032 15.041 8.118
185 2HG PRO 27 2HG PRO 27 10.854 15.056 9.712
186 1HD PRO 27 HD2 PRO 27 7.942 14.529 8.998
187 2HD PRO 27 HD3 PRO 27 8.953 13.766 10.263
188 H VAL 28 HN VAL 28 6.361 16.826 10.149
189 HA VAL 28 HA VAL 28 6.084 19.692 10.014
190 HB VAL 28 HB VAL 28 4.134 17.402 9.702
191 1HG1 VAL 28 1HG1 VAL 28 2.781 19.210 10.346
192 2HG1 VAL 28 2HG1 VAL 28 3.772 20.392 9.458
193 3HG1 VAL 28 3HG1 VAL 28 2.738 19.251 8.566
194 1HG2 VAL 28 1HG2 VAL 28 5.956 17.604 7.982
195 2HG2 VAL 28 2HG2 VAL 28 4.307 17.776 7.336
196 3HG2 VAL 28 3HG2 VAL 28 5.322 19.218 7.580
197 H CYS 29 HN CYS 29 3.700 17.519 11.558
198 HA CYS 29 HA CYS 29 3.199 19.324 13.606
199 1HB CYS 29 1HB CYS 29 1.987 17.408 14.671
200 2HB CYS 29 2HB CYS 29 1.499 17.805 13.036
201 H GLY 30 HN GLY 30 5.146 16.263 13.461
202 1HA GLY 30 HA1 GLY 30 7.301 16.323 14.587
203 2HA GLY 30 HA2 GLY 30 6.527 17.149 15.924
204 H ALA 31 HN ALA 31 4.035 15.289 15.300
205 HA ALA 31 HA ALA 31 4.280 13.565 17.366
206 1HB ALA 31 1HB ALA 31 2.730 12.162 15.531
207 2HB ALA 31 2HB ALA 31 2.147 13.433 16.633
208 3HB ALA 31 3HB ALA 31 2.608 13.845 14.964
209 H SER 32 HN SER 32 4.651 11.208 17.494
210 HA SER 32 HA SER 32 7.076 10.559 16.263
211 1HB SER 32 1HB SER 32 6.492 8.220 17.293
212 2HB SER 32 2HB SER 32 6.789 9.572 18.367
213 HG SER 32 HG SER 32 4.891 8.597 19.087
214 H LYS 33 HN LYS 33 7.180 8.092 15.277
215 HA LYS 33 HA LYS 33 5.470 8.244 12.935
216 1HB LYS 33 1HB LYS 33 7.035 6.574 12.006
217 2HB LYS 33 2HB LYS 33 7.839 8.038 12.534
218 1HG LYS 33 1HG LYS 33 9.150 6.850 13.947
219 2HG LYS 33 2HG LYS 33 7.738 6.243 14.788
220 1HD LYS 33 HD2 LYS 33 7.732 4.743 12.426
221 2HD LYS 33 HD3 LYS 33 9.442 4.906 12.772
222 1HE LYS 33 2HE LYS 33 9.291 3.744 14.808
223 2HE LYS 33 3HE LYS 33 7.612 4.177 15.058
224 1HZ LYS 33 HZ1 LYS 33 7.231 2.098 14.283
225 2HZ LYS 33 HZ2 LYS 33 7.490 2.702 12.794
226 H ASP 34 HN ASP 34 4.124 7.626 15.375
227 HA ASP 34 HA ASP 34 3.751 4.760 15.179
228 1HB ASP 34 1HB ASP 34 2.329 5.128 17.263
229 2HB ASP 34 2HB ASP 34 4.030 5.508 17.446
230 HD2 ASP 34 HD2 ASP 34 1.817 8.160 18.808
231 H ALA 35 HN ALA 35 1.886 7.888 15.383
232 HA ALA 35 HA ALA 35 -0.612 6.848 14.796
233 1HB ALA 35 1HB ALA 35 -1.251 9.046 14.812
234 2HB ALA 35 2HB ALA 35 0.377 9.269 15.494
235 3HB ALA 35 3HB ALA 35 0.092 9.556 13.761
236 H PHE 36 HN PHE 36 2.221 7.300 12.786
237 HA PHE 36 HA PHE 36 1.000 7.636 10.314
238 1HB PHE 36 1HB PHE 36 3.578 6.442 11.426
239 2HB PHE 36 2HB PHE 36 3.264 6.283 9.709
240 HD1 PHE 36 HD1 PHE 36 3.624 8.790 12.420
241 HD2 PHE 36 HD2 PHE 36 3.717 8.058 8.242
242 HE1 PHE 36 HE1 PHE 36 4.551 11.091 12.037
243 HE2 PHE 36 HE2 PHE 36 4.645 10.358 7.859
244 HZ PHE 36 HZ PHE 36 5.051 11.848 9.761
245 H GLU 37 HN GLU 37 0.067 6.253 8.828
246 HA GLU 37 HA GLU 37 0.348 3.424 9.280
247 1HB GLU 37 1HB GLU 37 -1.878 4.723 10.333
248 2HB GLU 37 2HB GLU 37 -2.474 4.163 8.782
249 1HG GLU 37 1HG GLU 37 -2.810 2.473 10.601
250 2HG GLU 37 2HG GLU 37 -1.827 1.855 9.288
251 HE2 GLU 37 HE2 GLU 37 1.080 1.722 11.199
252 H LYS 38 HN LYS 38 -0.045 2.163 7.363
253 HA LYS 38 HA LYS 38 0.498 3.513 4.978
254 1HB LYS 38 1HB LYS 38 1.171 1.213 5.368
255 2HB LYS 38 2HB LYS 38 -0.497 0.700 5.508
256 1HG LYS 38 1HG LYS 38 -0.800 0.651 3.242
257 2HG LYS 38 2HG LYS 38 0.008 2.188 3.007
258 1HD LYS 38 HD2 LYS 38 1.548 0.798 1.962
259 2HD LYS 38 HD3 LYS 38 2.201 0.768 3.588
260 1HE LYS 38 2HE LYS 38 2.088 -1.529 2.842
261 2HE LYS 38 3HE LYS 38 0.821 -1.326 4.035
262 1HZ LYS 38 HZ1 LYS 38 0.007 -0.761 1.309
263 2HZ LYS 38 HZ2 LYS 38 0.396 -2.319 1.581
264 H GLN 39 HN GLN 39 -0.797 4.732 3.721
265 HA GLN 39 HA GLN 39 -3.583 3.943 3.570
266 1HB GLN 39 1HB GLN 39 -2.549 6.707 4.298
267 2HB GLN 39 2HB GLN 39 -4.148 6.474 3.621
268 1HG GLN 39 1HG GLN 39 -3.609 4.585 5.817
269 2HG GLN 39 2HG GLN 39 -3.435 6.250 6.336
270 1HE2 GLN 39 1HE2 GLN 39 -5.562 4.167 4.389
271 2HE2 GLN 39 2HE2 GLN 39 -7.069 4.862 4.885
Start of MODEL 14
1 1H MET 1 HN MET 1 6.662 0.830 -2.918
2 HA MET 1 HA MET 1 4.638 2.408 -4.211
3 1HB MET 1 1HB MET 1 4.989 -0.464 -3.308
4 2HB MET 1 2HB MET 1 3.351 0.117 -3.536
5 1HG MET 1 1HG MET 1 4.215 0.985 -5.867
6 2HG MET 1 2HG MET 1 5.573 -0.091 -5.601
7 1HE MET 1 1HE MET 1 2.568 -1.182 -8.046
8 2HE MET 1 2HE MET 1 3.924 -0.046 -7.857
9 3HE MET 1 3HE MET 1 4.243 -1.781 -8.096
10 H ASP 2 HN ASP 2 4.950 0.553 -1.091
11 HA ASP 2 HA ASP 2 2.676 1.266 0.086
12 1HB ASP 2 1HB ASP 2 4.204 1.396 2.265
13 2HB ASP 2 2HB ASP 2 3.982 -0.121 1.416
14 HD2 ASP 2 HD2 ASP 2 7.110 -0.716 1.273
15 H ILE 3 HN ILE 3 2.190 2.996 1.782
16 HA ILE 3 HA ILE 3 3.809 5.406 1.466
17 HB ILE 3 HB ILE 3 0.853 5.160 0.938
18 1HG1 ILE 3 2HG1 ILE 3 3.049 6.431 -0.719
19 2HG1 ILE 3 3HG1 ILE 3 2.512 4.775 -0.922
20 1HG2 ILE 3 1HG2 ILE 3 1.406 7.045 2.530
21 2HG2 ILE 3 2HG2 ILE 3 2.364 7.765 1.215
22 3HG2 ILE 3 3HG2 ILE 3 0.614 7.516 1.007
23 1HD1 ILE 3 1HD1 ILE 3 0.363 6.866 -0.868
24 2HD1 ILE 3 2HD1 ILE 3 1.424 6.838 -2.297
25 3HD1 ILE 3 3HD1 ILE 3 0.488 5.389 -1.854
26 H TYR 4 HN TYR 4 3.869 6.702 3.254
27 HA TYR 4 HA TYR 4 2.444 5.665 5.660
28 1HB TYR 4 1HB TYR 4 5.285 6.711 5.417
29 2HB TYR 4 2HB TYR 4 4.470 6.334 6.944
30 HD1 TYR 4 HD1 TYR 4 3.367 3.865 6.962
31 HD2 TYR 4 HD2 TYR 4 6.704 5.104 4.559
32 HE1 TYR 4 HE1 TYR 4 4.107 1.505 6.773
33 HE2 TYR 4 HE2 TYR 4 7.443 2.745 4.368
34 HH TYR 4 HH TYR 4 5.634 0.136 4.928
35 H VAL 5 HN VAL 5 0.745 7.288 5.371
36 HA VAL 5 HA VAL 5 1.704 10.044 5.516
37 HB VAL 5 HB VAL 5 -0.978 8.808 4.880
38 1HG1 VAL 5 1HG1 VAL 5 -0.947 11.576 4.231
39 2HG1 VAL 5 2HG1 VAL 5 -1.968 10.732 5.419
40 3HG1 VAL 5 3HG1 VAL 5 -0.407 11.423 5.919
41 1HG2 VAL 5 1HG2 VAL 5 1.248 9.202 3.273
42 2HG2 VAL 5 2HG2 VAL 5 -0.428 8.984 2.714
43 3HG2 VAL 5 3HG2 VAL 5 0.232 10.623 2.928
44 H CYS 6 HN CYS 6 1.822 11.034 7.459
45 HA CYS 6 HA CYS 6 1.231 9.820 9.820
46 1HB CYS 6 1HB CYS 6 2.645 11.832 9.507
47 2HB CYS 6 2HB CYS 6 1.200 12.797 9.280
48 H THR 7 HN THR 7 -0.556 10.078 11.358
49 HA THR 7 HA THR 7 -3.084 10.730 10.001
50 HB THR 7 HB THR 7 -4.044 9.137 11.712
51 HG1 THR 7 HG1 THR 7 -2.231 9.568 13.239
52 1HG2 THR 7 1HG2 THR 7 -3.618 7.506 10.170
53 2HG2 THR 7 2HG2 THR 7 -2.222 8.421 9.554
54 3HG2 THR 7 3HG2 THR 7 -2.013 7.283 10.907
55 H VAL 8 HN VAL 8 -1.075 12.582 11.379
56 HA VAL 8 HA VAL 8 -2.973 13.612 13.375
57 HB VAL 8 HB VAL 8 0.014 13.428 13.324
58 1HG1 VAL 8 1HG1 VAL 8 -1.607 15.589 14.695
59 2HG1 VAL 8 2HG1 VAL 8 0.022 15.112 15.232
60 3HG1 VAL 8 3HG1 VAL 8 -0.217 15.777 13.598
61 1HG2 VAL 8 1HG2 VAL 8 -1.307 11.760 14.567
62 2HG2 VAL 8 2HG2 VAL 8 -0.299 12.747 15.653
63 3HG2 VAL 8 3HG2 VAL 8 -2.046 13.064 15.527
64 H CYS 9 HN CYS 9 -0.398 14.505 10.975
65 HA CYS 9 HA CYS 9 -1.826 17.035 10.627
66 1HB CYS 9 1HB CYS 9 0.376 17.687 9.457
67 2HB CYS 9 2HB CYS 9 0.308 17.647 11.208
68 H GLY 10 HN GLY 10 -0.841 13.964 9.220
69 1HA GLY 10 HA1 GLY 10 -1.815 13.026 7.344
70 2HA GLY 10 HA2 GLY 10 -2.316 14.610 6.785
71 H TYR 11 HN TYR 11 0.910 14.384 7.988
72 HA TYR 11 HA TYR 11 2.183 15.335 5.709
73 1HB TYR 11 1HB TYR 11 3.160 15.204 7.979
74 2HB TYR 11 2HB TYR 11 3.291 13.446 7.814
75 HD1 TYR 11 HD1 TYR 11 5.571 12.961 7.767
76 HD2 TYR 11 HD2 TYR 11 4.052 16.177 5.358
77 HE1 TYR 11 HE1 TYR 11 7.800 13.226 6.715
78 HE2 TYR 11 HE2 TYR 11 6.281 16.441 4.304
79 HH TYR 11 HH TYR 11 8.387 14.912 3.907
80 H GLU 12 HN GLU 12 3.722 14.197 4.176
81 HA GLU 12 HA GLU 12 2.716 11.510 3.644
82 1HB GLU 12 1HB GLU 12 3.069 13.870 1.835
83 2HB GLU 12 2HB GLU 12 3.524 12.314 1.171
84 1HG GLU 12 1HG GLU 12 1.346 11.459 1.283
85 2HG GLU 12 2HG GLU 12 0.895 12.481 2.636
86 HE2 GLU 12 HE2 GLU 12 1.051 12.415 -0.819
87 H TYR 13 HN TYR 13 4.201 9.944 3.347
88 HA TYR 13 HA TYR 13 7.066 10.776 3.312
89 1HB TYR 13 1HB TYR 13 6.671 9.811 5.427
90 2HB TYR 13 2HB TYR 13 5.608 8.561 4.758
91 HD1 TYR 13 HD1 TYR 13 6.729 6.876 3.087
92 HD2 TYR 13 HD2 TYR 13 8.890 9.296 5.903
93 HE1 TYR 13 HE1 TYR 13 8.650 5.313 2.957
94 HE2 TYR 13 HE2 TYR 13 10.811 7.733 5.772
95 HH TYR 13 HH TYR 13 11.163 5.206 5.138
96 H ASP 14 HN ASP 14 8.534 9.469 2.006
97 HA ASP 14 HA ASP 14 7.048 7.872 0.070
98 1HB ASP 14 1HB ASP 14 8.447 10.124 -0.496
99 2HB ASP 14 2HB ASP 14 9.777 8.985 -0.558
100 HD2 ASP 14 HD2 ASP 14 6.725 8.041 -2.848
101 HA PRO 15 HA PRO 15 9.758 4.587 1.396
102 1HB PRO 15 1HB PRO 15 9.165 2.758 -0.545
103 2HB PRO 15 2HB PRO 15 7.960 3.275 0.679
104 1HG PRO 15 1HG PRO 15 8.000 4.250 -2.337
105 2HG PRO 15 2HG PRO 15 6.954 3.675 -0.998
106 1HD PRO 15 HD2 PRO 15 7.771 6.411 -1.663
107 2HD PRO 15 HD3 PRO 15 6.713 5.871 -0.324
108 H ALA 16 HN ALA 16 11.604 6.254 0.714
109 HA ALA 16 HA ALA 16 13.398 4.819 -0.909
110 1HB ALA 16 1HB ALA 16 12.838 7.448 -2.202
111 2HB ALA 16 2HB ALA 16 13.348 5.904 -2.924
112 3HB ALA 16 3HB ALA 16 11.643 6.159 -2.481
113 H PHE 17 HN PHE 17 14.139 5.232 1.424
114 HA PHE 17 HA PHE 17 15.709 7.695 1.387
115 1HB PHE 17 1HB PHE 17 13.742 6.604 3.446
116 2HB PHE 17 2HB PHE 17 15.132 7.498 4.028
117 HD1 PHE 17 HD1 PHE 17 15.177 9.855 3.953
118 HD2 PHE 17 HD2 PHE 17 12.144 7.753 1.857
119 HE1 PHE 17 HE1 PHE 17 13.961 12.013 3.546
120 HE2 PHE 17 HE2 PHE 17 10.929 9.912 1.450
121 HZ PHE 17 HZ PHE 17 11.852 12.016 2.300
122 H GLU 18 HN GLU 18 17.461 7.596 3.187
123 HA GLU 18 HA GLU 18 18.232 4.828 3.631
124 1HB GLU 18 1HB GLU 18 19.449 6.427 1.710
125 2HB GLU 18 2HB GLU 18 20.497 6.659 3.095
126 1HG GLU 18 1HG GLU 18 21.099 4.388 3.206
127 2HG GLU 18 2HG GLU 18 19.625 3.847 2.430
128 HE2 GLU 18 HE2 GLU 18 19.920 3.326 0.334
129 H ASP 19 HN ASP 19 16.992 5.949 5.658
130 HA ASP 19 HA ASP 19 18.826 6.036 7.669
131 1HB ASP 19 1HB ASP 19 18.980 8.442 6.328
132 2HB ASP 19 2HB ASP 19 17.755 8.822 7.523
133 HD2 ASP 19 HD2 ASP 19 19.091 7.599 9.934
134 H LEU 20 HN LEU 20 17.166 4.771 8.683
135 HA LEU 20 HA LEU 20 14.776 6.300 9.428
136 1HB LEU 20 1HB LEU 20 14.724 4.269 7.628
137 2HB LEU 20 2HB LEU 20 14.476 3.381 9.117
138 HG LEU 20 HG LEU 20 12.575 4.964 9.644
139 1HD1 LEU 20 1HD1 LEU 20 12.532 6.846 8.435
140 2HD1 LEU 20 2HD1 LEU 20 13.500 6.141 7.117
141 3HD1 LEU 20 3HD1 LEU 20 11.744 5.852 7.187
142 1HD2 LEU 20 1HD2 LEU 20 11.628 3.026 9.016
143 2HD2 LEU 20 2HD2 LEU 20 11.226 3.912 7.526
144 3HD2 LEU 20 3HD2 LEU 20 12.662 2.862 7.577
145 HA PRO 21 HA PRO 21 17.133 5.042 13.151
146 1HB PRO 21 1HB PRO 21 15.914 7.603 14.110
147 2HB PRO 21 2HB PRO 21 17.623 7.058 14.096
148 1HG PRO 21 1HG PRO 21 16.720 8.989 12.386
149 2HG PRO 21 2HG PRO 21 18.021 7.865 11.877
150 1HD PRO 21 HD2 PRO 21 15.018 7.777 11.346
151 2HD PRO 21 HD3 PRO 21 16.370 7.383 10.243
152 H ASP 22 HN ASP 22 16.144 5.075 15.571
153 HA ASP 22 HA ASP 22 13.441 4.084 15.211
154 1HB ASP 22 1HB ASP 22 13.913 3.170 17.612
155 2HB ASP 22 2HB ASP 22 14.726 2.408 16.260
156 HD2 ASP 22 HD2 ASP 22 15.328 4.134 19.174
157 H ASP 23 HN ASP 23 13.760 6.912 15.219
158 HA ASP 23 HA ASP 23 12.129 7.587 17.399
159 1HB ASP 23 1HB ASP 23 13.825 9.471 18.142
160 2HB ASP 23 2HB ASP 23 13.969 7.859 18.816
161 HD2 ASP 23 HD2 ASP 23 15.775 6.634 18.111
162 H TRP 24 HN TRP 24 11.651 7.773 14.701
163 HA TRP 24 HA TRP 24 12.464 10.401 13.774
164 1HB TRP 24 1HB TRP 24 12.427 8.262 12.365
165 2HB TRP 24 2HB TRP 24 10.684 8.436 12.346
166 HD1 TRP 24 HD1 TRP 24 13.533 11.057 11.702
167 HE1 TRP 24 HE1 TRP 24 13.066 12.386 9.471
168 HE3 TRP 24 HE3 TRP 24 9.250 8.588 10.510
169 HZ2 TRP 24 HZ2 TRP 24 11.004 12.259 7.502
170 HZ3 TRP 24 HZ3 TRP 24 8.072 9.252 8.417
171 HH2 TRP 24 HH2 TRP 24 8.882 11.019 6.935
172 H ALA 25 HN ALA 25 11.046 12.163 13.611
173 HA ALA 25 HA ALA 25 8.312 11.678 14.567
174 1HB ALA 25 1HB ALA 25 9.081 14.294 15.324
175 2HB ALA 25 2HB ALA 25 8.796 12.899 16.391
176 3HB ALA 25 3HB ALA 25 10.435 13.234 15.784
177 H CYS 26 HN CYS 26 6.698 12.701 13.399
178 HA CYS 26 HA CYS 26 7.045 13.342 10.828
179 1HB CYS 26 1HB CYS 26 4.937 13.356 12.570
180 2HB CYS 26 2HB CYS 26 5.052 15.055 12.159
181 HA PRO 27 HA PRO 27 9.400 17.083 10.765
182 1HB PRO 27 1HB PRO 27 8.907 17.822 8.174
183 2HB PRO 27 2HB PRO 27 9.895 16.384 8.593
184 1HG PRO 27 1HG PRO 27 6.797 16.096 7.641
185 2HG PRO 27 2HG PRO 27 8.493 15.602 7.332
186 1HD PRO 27 HD2 PRO 27 6.655 14.456 9.223
187 2HD PRO 27 HD3 PRO 27 8.419 14.160 9.145
188 H VAL 28 HN VAL 28 5.971 16.825 10.756
189 HA VAL 28 HA VAL 28 5.746 19.754 10.699
190 HB VAL 28 HB VAL 28 3.647 17.642 10.166
191 1HG1 VAL 28 1HG1 VAL 28 2.328 19.369 10.860
192 2HG1 VAL 28 2HG1 VAL 28 3.554 20.605 10.485
193 3HG1 VAL 28 3HG1 VAL 28 2.576 19.896 9.178
194 1HG2 VAL 28 1HG2 VAL 28 5.695 18.587 8.473
195 2HG2 VAL 28 2HG2 VAL 28 4.265 17.627 8.023
196 3HG2 VAL 28 3HG2 VAL 28 4.204 19.404 7.944
197 H CYS 29 HN CYS 29 3.298 17.484 11.935
198 HA CYS 29 HA CYS 29 2.768 18.798 14.212
199 1HB CYS 29 1HB CYS 29 1.926 16.662 15.126
200 2HB CYS 29 2HB CYS 29 1.384 17.003 13.494
201 H GLY 30 HN GLY 30 5.184 16.117 13.763
202 1HA GLY 30 HA1 GLY 30 7.346 16.303 14.749
203 2HA GLY 30 HA2 GLY 30 6.646 17.173 16.099
204 H ALA 31 HN ALA 31 4.271 15.016 15.660
205 HA ALA 31 HA ALA 31 4.832 13.481 17.863
206 1HB ALA 31 1HB ALA 31 2.698 12.924 17.449
207 2HB ALA 31 2HB ALA 31 2.809 13.711 15.856
208 3HB ALA 31 3HB ALA 31 3.207 11.984 16.026
209 H SER 32 HN SER 32 5.138 11.026 17.913
210 HA SER 32 HA SER 32 7.542 10.478 16.541
211 1HB SER 32 1HB SER 32 7.461 8.321 17.752
212 2HB SER 32 2HB SER 32 7.140 9.665 18.830
213 HG SER 32 HG SER 32 5.645 7.878 19.137
214 H LYS 33 HN LYS 33 7.680 8.026 15.564
215 HA LYS 33 HA LYS 33 5.841 8.083 13.339
216 1HB LYS 33 1HB LYS 33 7.335 6.549 12.298
217 2HB LYS 33 2HB LYS 33 8.310 7.781 13.072
218 1HG LYS 33 1HG LYS 33 7.735 5.520 14.881
219 2HG LYS 33 2HG LYS 33 8.563 5.006 13.424
220 1HD LYS 33 HD2 LYS 33 10.523 5.976 14.068
221 2HD LYS 33 HD3 LYS 33 9.733 7.481 14.494
222 1HE LYS 33 2HE LYS 33 10.434 6.814 16.609
223 2HE LYS 33 3HE LYS 33 8.852 6.059 16.587
224 1HZ LYS 33 HZ1 LYS 33 10.342 4.144 15.451
225 2HZ LYS 33 HZ2 LYS 33 11.462 4.798 16.437
226 H ASP 34 HN ASP 34 4.332 7.666 15.565
227 HA ASP 34 HA ASP 34 3.936 4.778 15.561
228 1HB ASP 34 1HB ASP 34 4.415 5.795 17.788
229 2HB ASP 34 2HB ASP 34 3.065 6.895 17.586
230 HD2 ASP 34 HD2 ASP 34 1.811 4.285 19.673
231 H ALA 35 HN ALA 35 2.528 8.044 15.150
232 HA ALA 35 HA ALA 35 -0.126 6.959 14.702
233 1HB ALA 35 1HB ALA 35 0.862 9.323 15.774
234 2HB ALA 35 2HB ALA 35 0.334 9.810 14.146
235 3HB ALA 35 3HB ALA 35 -0.817 9.035 15.262
236 H PHE 36 HN PHE 36 1.786 5.905 12.916
237 HA PHE 36 HA PHE 36 1.067 7.332 10.451
238 1HB PHE 36 1HB PHE 36 3.564 5.937 11.493
239 2HB PHE 36 2HB PHE 36 3.266 5.879 9.766
240 HD1 PHE 36 HD1 PHE 36 2.895 8.570 12.338
241 HD2 PHE 36 HD2 PHE 36 4.631 7.359 8.660
242 HE1 PHE 36 HE1 PHE 36 3.933 10.841 12.082
243 HE2 PHE 36 HE2 PHE 36 5.669 9.630 8.403
244 HZ PHE 36 HZ PHE 36 5.308 11.344 10.117
245 H GLU 37 HN GLU 37 0.206 6.122 8.754
246 HA GLU 37 HA GLU 37 0.393 3.308 8.760
247 1HB GLU 37 1HB GLU 37 -1.520 4.071 10.485
248 2HB GLU 37 2HB GLU 37 -2.467 4.216 9.017
249 1HG GLU 37 1HG GLU 37 -2.423 1.929 8.585
250 2HG GLU 37 2HG GLU 37 -0.844 1.707 9.312
251 HE2 GLU 37 HE2 GLU 37 -1.968 1.138 12.448
252 H LYS 38 HN LYS 38 -0.550 2.370 6.775
253 HA LYS 38 HA LYS 38 -0.168 3.924 4.553
254 1HB LYS 38 1HB LYS 38 -0.217 1.421 4.692
255 2HB LYS 38 2HB LYS 38 -1.967 1.492 4.756
256 1HG LYS 38 1HG LYS 38 -2.135 1.858 2.515
257 2HG LYS 38 2HG LYS 38 -0.933 3.132 2.552
258 1HD LYS 38 HD2 LYS 38 0.097 1.492 1.203
259 2HD LYS 38 HD3 LYS 38 0.825 1.208 2.773
260 1HE LYS 38 2HE LYS 38 -1.713 -0.276 2.052
261 2HE LYS 38 3HE LYS 38 -0.195 -0.815 1.363
262 1HZ LYS 38 HZ1 LYS 38 0.294 -0.397 4.064
263 2HZ LYS 38 HZ2 LYS 38 -1.132 -1.182 4.010
264 H GLN 39 HN GLN 39 -1.393 5.289 3.290
265 HA GLN 39 HA GLN 39 -4.201 5.358 3.567
266 1HB GLN 39 1HB GLN 39 -2.555 7.223 5.175
267 2HB GLN 39 2HB GLN 39 -3.756 8.031 4.188
268 1HG GLN 39 1HG GLN 39 -5.312 6.027 5.157
269 2HG GLN 39 2HG GLN 39 -4.146 6.106 6.463
270 1HE2 GLN 39 1HE2 GLN 39 -3.895 8.002 7.661
271 2HE2 GLN 39 2HE2 GLN 39 -5.112 9.233 7.728
Start of MODEL 15
1 1H MET 1 HN MET 1 1.835 0.168 0.873
2 HA MET 1 HA MET 1 2.513 -1.260 -1.182
3 1HB MET 1 1HB MET 1 1.230 1.143 -2.219
4 2HB MET 1 2HB MET 1 2.910 1.159 -2.716
5 1HG MET 1 1HG MET 1 2.666 -0.679 -4.097
6 2HG MET 1 2HG MET 1 1.549 -1.484 -3.012
7 1HE MET 1 1HE MET 1 -0.430 -1.071 -6.398
8 2HE MET 1 2HE MET 1 1.317 -1.340 -6.191
9 3HE MET 1 3HE MET 1 0.154 -2.224 -5.175
10 H ASP 2 HN ASP 2 3.143 2.239 -0.390
11 HA ASP 2 HA ASP 2 5.422 1.730 1.037
12 1HB ASP 2 1HB ASP 2 7.193 2.482 -0.552
13 2HB ASP 2 2HB ASP 2 6.460 0.969 -1.049
14 HD2 ASP 2 HD2 ASP 2 7.474 2.789 -3.447
15 H ILE 3 HN ILE 3 3.752 3.408 1.928
16 HA ILE 3 HA ILE 3 4.786 6.036 1.399
17 HB ILE 3 HB ILE 3 2.078 5.184 0.489
18 1HG1 ILE 3 2HG1 ILE 3 2.987 7.357 -0.987
19 2HG1 ILE 3 3HG1 ILE 3 4.459 6.486 -0.607
20 1HG2 ILE 3 1HG2 ILE 3 1.138 6.748 1.821
21 2HG2 ILE 3 2HG2 ILE 3 2.663 7.641 2.044
22 3HG2 ILE 3 3HG2 ILE 3 1.717 7.852 0.551
23 1HD1 ILE 3 1HD1 ILE 3 1.954 5.277 -1.869
24 2HD1 ILE 3 2HD1 ILE 3 3.483 5.638 -2.707
25 3HD1 ILE 3 3HD1 ILE 3 3.431 4.373 -1.457
26 H TYR 4 HN TYR 4 4.534 7.381 3.125
27 HA TYR 4 HA TYR 4 3.058 6.270 5.463
28 1HB TYR 4 1HB TYR 4 5.863 7.381 5.273
29 2HB TYR 4 2HB TYR 4 4.967 7.374 6.802
30 HD1 TYR 4 HD1 TYR 4 4.086 5.125 7.669
31 HD2 TYR 4 HD2 TYR 4 7.018 5.469 4.548
32 HE1 TYR 4 HE1 TYR 4 4.785 2.779 8.068
33 HE2 TYR 4 HE2 TYR 4 7.718 3.123 4.947
34 HH TYR 4 HH TYR 4 7.163 1.131 6.015
35 H VAL 5 HN VAL 5 1.244 7.702 5.093
36 HA VAL 5 HA VAL 5 1.942 10.546 5.175
37 HB VAL 5 HB VAL 5 -0.630 9.138 4.431
38 1HG1 VAL 5 1HG1 VAL 5 -1.653 11.148 4.169
39 2HG1 VAL 5 2HG1 VAL 5 -0.471 11.658 5.397
40 3HG1 VAL 5 3HG1 VAL 5 -0.155 11.972 3.674
41 1HG2 VAL 5 1HG2 VAL 5 1.734 10.067 2.857
42 2HG2 VAL 5 2HG2 VAL 5 0.662 8.669 2.602
43 3HG2 VAL 5 3HG2 VAL 5 0.118 10.302 2.148
44 H CYS 6 HN CYS 6 1.785 11.593 7.085
45 HA CYS 6 HA CYS 6 1.009 10.334 9.405
46 1HB CYS 6 1HB CYS 6 2.420 12.427 9.099
47 2HB CYS 6 2HB CYS 6 0.917 13.319 8.963
48 H THR 7 HN THR 7 -0.911 10.835 10.817
49 HA THR 7 HA THR 7 -3.289 11.405 9.169
50 HB THR 7 HB THR 7 -4.381 9.882 10.992
51 HG1 THR 7 HG1 THR 7 -2.537 9.924 12.432
52 1HG2 THR 7 1HG2 THR 7 -3.041 7.772 9.983
53 2HG2 THR 7 2HG2 THR 7 -4.205 8.675 8.985
54 3HG2 THR 7 3HG2 THR 7 -2.461 8.997 8.831
55 H VAL 8 HN VAL 8 -1.242 12.852 11.277
56 HA VAL 8 HA VAL 8 -3.356 14.005 12.924
57 HB VAL 8 HB VAL 8 -0.345 14.017 13.012
58 1HG1 VAL 8 1HG1 VAL 8 -2.215 15.643 14.770
59 2HG1 VAL 8 2HG1 VAL 8 -0.453 15.488 14.965
60 3HG1 VAL 8 3HG1 VAL 8 -1.121 16.299 13.528
61 1HG2 VAL 8 1HG2 VAL 8 -2.547 12.692 14.491
62 2HG2 VAL 8 2HG2 VAL 8 -0.882 12.149 14.175
63 3HG2 VAL 8 3HG2 VAL 8 -1.207 13.308 15.486
64 H CYS 9 HN CYS 9 -0.683 14.971 10.668
65 HA CYS 9 HA CYS 9 -2.103 17.507 10.324
66 1HB CYS 9 1HB CYS 9 0.188 18.104 9.200
67 2HB CYS 9 2HB CYS 9 -0.029 18.189 10.936
68 H GLY 10 HN GLY 10 -1.108 14.460 8.894
69 1HA GLY 10 HA1 GLY 10 -1.994 13.571 6.959
70 2HA GLY 10 HA2 GLY 10 -2.478 15.166 6.420
71 H TYR 11 HN TYR 11 0.709 14.880 7.729
72 HA TYR 11 HA TYR 11 2.060 15.895 5.521
73 1HB TYR 11 1HB TYR 11 2.918 15.656 7.861
74 2HB TYR 11 2HB TYR 11 3.138 13.923 7.562
75 HD1 TYR 11 HD1 TYR 11 5.436 13.541 7.554
76 HD2 TYR 11 HD2 TYR 11 3.852 16.882 5.369
77 HE1 TYR 11 HE1 TYR 11 7.685 13.989 6.609
78 HE2 TYR 11 HE2 TYR 11 6.101 17.331 4.424
79 HH TYR 11 HH TYR 11 8.405 15.541 4.071
80 H GLU 12 HN GLU 12 3.594 14.825 3.969
81 HA GLU 12 HA GLU 12 2.694 12.109 3.401
82 1HB GLU 12 1HB GLU 12 2.716 14.515 1.670
83 2HB GLU 12 2HB GLU 12 3.454 13.111 0.927
84 1HG GLU 12 1HG GLU 12 1.156 12.045 2.124
85 2HG GLU 12 2HG GLU 12 0.614 13.617 1.569
86 HE2 GLU 12 HE2 GLU 12 -0.168 13.422 -0.467
87 H TYR 13 HN TYR 13 4.262 10.638 3.117
88 HA TYR 13 HA TYR 13 7.068 11.637 2.963
89 1HB TYR 13 1HB TYR 13 6.438 10.590 5.128
90 2HB TYR 13 2HB TYR 13 5.998 9.109 4.260
91 HD1 TYR 13 HD1 TYR 13 7.564 7.411 4.177
92 HD2 TYR 13 HD2 TYR 13 8.910 11.474 4.549
93 HE1 TYR 13 HE1 TYR 13 9.910 6.620 4.337
94 HE2 TYR 13 HE2 TYR 13 11.255 10.683 4.709
95 HH TYR 13 HH TYR 13 12.565 8.708 5.198
96 H ASP 14 HN ASP 14 8.588 10.325 1.675
97 HA ASP 14 HA ASP 14 7.178 8.518 -0.121
98 1HB ASP 14 1HB ASP 14 7.858 10.914 -1.017
99 2HB ASP 14 2HB ASP 14 9.484 10.261 -1.047
100 HD2 ASP 14 HD2 ASP 14 9.181 10.234 -3.819
101 HA PRO 15 HA PRO 15 10.353 6.091 2.171
102 1HB PRO 15 1HB PRO 15 9.203 4.275 -0.001
103 2HB PRO 15 2HB PRO 15 9.695 3.899 1.683
104 1HG PRO 15 1HG PRO 15 7.119 4.429 1.057
105 2HG PRO 15 2HG PRO 15 7.698 4.981 2.662
106 1HD PRO 15 HD2 PRO 15 7.031 6.545 0.203
107 2HD PRO 15 HD3 PRO 15 7.215 7.116 1.889
108 H ALA 16 HN ALA 16 12.493 6.531 1.631
109 HA ALA 16 HA ALA 16 13.791 5.432 -0.464
110 1HB ALA 16 1HB ALA 16 13.949 7.851 -1.763
111 2HB ALA 16 2HB ALA 16 12.921 6.491 -2.274
112 3HB ALA 16 3HB ALA 16 12.232 7.807 -1.295
113 H PHE 17 HN PHE 17 14.828 5.477 1.799
114 HA PHE 17 HA PHE 17 16.734 7.679 1.791
115 1HB PHE 17 1HB PHE 17 14.525 7.330 3.606
116 2HB PHE 17 2HB PHE 17 15.944 6.818 4.499
117 HD1 PHE 17 HD1 PHE 17 15.507 9.548 1.991
118 HD2 PHE 17 HD2 PHE 17 16.448 8.505 5.996
119 HE1 PHE 17 HE1 PHE 17 16.064 11.946 2.485
120 HE2 PHE 17 HE2 PHE 17 17.005 10.903 6.489
121 HZ PHE 17 HZ PHE 17 16.806 12.594 4.728
122 H GLU 18 HN GLU 18 18.022 6.924 4.244
123 HA GLU 18 HA GLU 18 18.740 4.158 3.717
124 1HB GLU 18 1HB GLU 18 20.347 5.909 2.650
125 2HB GLU 18 2HB GLU 18 20.851 6.267 4.291
126 1HG GLU 18 1HG GLU 18 22.395 4.607 3.609
127 2HG GLU 18 2HG GLU 18 21.228 3.698 4.549
128 HE2 GLU 18 HE2 GLU 18 21.867 2.434 1.003
129 H ASP 19 HN ASP 19 19.131 7.033 5.896
130 HA ASP 19 HA ASP 19 19.494 5.217 8.107
131 1HB ASP 19 1HB ASP 19 20.936 7.251 7.875
132 2HB ASP 19 2HB ASP 19 19.513 8.270 7.969
133 HD2 ASP 19 HD2 ASP 19 18.951 8.225 11.089
134 H LEU 20 HN LEU 20 17.376 4.362 8.507
135 HA LEU 20 HA LEU 20 15.389 6.376 9.284
136 1HB LEU 20 1HB LEU 20 15.047 5.155 7.024
137 2HB LEU 20 2HB LEU 20 14.630 3.767 8.008
138 HG LEU 20 HG LEU 20 12.639 4.962 7.280
139 1HD1 LEU 20 1HD1 LEU 20 11.576 5.338 9.507
140 2HD1 LEU 20 2HD1 LEU 20 12.450 3.794 9.364
141 3HD1 LEU 20 3HD1 LEU 20 13.182 5.152 10.253
142 1HD2 LEU 20 1HD2 LEU 20 13.257 7.342 8.977
143 2HD2 LEU 20 2HD2 LEU 20 13.989 7.235 7.358
144 3HD2 LEU 20 3HD2 LEU 20 12.219 7.193 7.538
145 HA PRO 21 HA PRO 21 16.581 3.789 12.885
146 1HB PRO 21 1HB PRO 21 15.595 6.321 14.186
147 2HB PRO 21 2HB PRO 21 17.099 5.379 14.450
148 1HG PRO 21 1HG PRO 21 17.321 7.741 13.025
149 2HG PRO 21 2HG PRO 21 18.209 6.215 12.702
150 1HD PRO 21 HD2 PRO 21 15.629 7.288 11.429
151 2HD PRO 21 HD3 PRO 21 17.102 6.684 10.614
152 H ASP 22 HN ASP 22 15.044 3.701 15.093
153 HA ASP 22 HA ASP 22 12.401 3.272 13.963
154 1HB ASP 22 1HB ASP 22 12.104 1.838 16.072
155 2HB ASP 22 2HB ASP 22 13.251 1.240 14.890
156 HD2 ASP 22 HD2 ASP 22 12.892 2.494 17.993
157 H ASP 23 HN ASP 23 12.714 5.908 14.438
158 HA ASP 23 HA ASP 23 10.916 6.428 16.500
159 1HB ASP 23 1HB ASP 23 12.667 8.066 17.669
160 2HB ASP 23 2HB ASP 23 12.522 6.394 18.178
161 HD2 ASP 23 HD2 ASP 23 15.541 8.146 17.604
162 H TRP 24 HN TRP 24 10.485 7.134 14.021
163 HA TRP 24 HA TRP 24 11.770 9.671 13.402
164 1HB TRP 24 1HB TRP 24 11.354 7.727 11.753
165 2HB TRP 24 2HB TRP 24 9.690 8.275 11.739
166 HD1 TRP 24 HD1 TRP 24 13.000 10.366 11.523
167 HE1 TRP 24 HE1 TRP 24 12.926 11.986 9.441
168 HE3 TRP 24 HE3 TRP 24 8.464 8.823 9.819
169 HZ2 TRP 24 HZ2 TRP 24 11.022 12.430 7.362
170 HZ3 TRP 24 HZ3 TRP 24 7.570 9.901 7.758
171 HH2 TRP 24 HH2 TRP 24 8.771 11.646 6.539
172 H ALA 25 HN ALA 25 10.650 11.654 13.420
173 HA ALA 25 HA ALA 25 7.890 11.513 14.419
174 1HB ALA 25 1HB ALA 25 9.938 12.253 15.987
175 2HB ALA 25 2HB ALA 25 9.661 13.809 15.167
176 3HB ALA 25 3HB ALA 25 8.343 13.038 16.082
177 H CYS 26 HN CYS 26 6.411 12.819 13.369
178 HA CYS 26 HA CYS 26 6.977 13.683 10.829
179 1HB CYS 26 1HB CYS 26 4.724 13.269 12.084
180 2HB CYS 26 2HB CYS 26 4.817 14.977 12.464
181 HA PRO 27 HA PRO 27 9.250 17.410 11.590
182 1HB PRO 27 1HB PRO 27 9.205 18.402 9.044
183 2HB PRO 27 2HB PRO 27 10.129 16.928 9.478
184 1HG PRO 27 1HG PRO 27 7.264 16.972 8.187
185 2HG PRO 27 2HG PRO 27 8.809 16.167 7.761
186 1HD PRO 27 HD2 PRO 27 6.833 14.995 9.327
187 2HD PRO 27 HD3 PRO 27 8.574 14.629 9.528
188 H VAL 28 HN VAL 28 5.893 17.105 11.067
189 HA VAL 28 HA VAL 28 5.571 20.024 11.098
190 HB VAL 28 HB VAL 28 3.631 17.839 10.316
191 1HG1 VAL 28 1HG1 VAL 28 2.386 19.672 11.221
192 2HG1 VAL 28 2HG1 VAL 28 3.373 20.860 10.338
193 3HG1 VAL 28 3HG1 VAL 28 2.273 19.781 9.448
194 1HG2 VAL 28 1HG2 VAL 28 4.581 17.887 8.301
195 2HG2 VAL 28 2HG2 VAL 28 4.164 19.611 8.165
196 3HG2 VAL 28 3HG2 VAL 28 5.736 19.128 8.843
197 H CYS 29 HN CYS 29 3.141 17.600 12.070
198 HA CYS 29 HA CYS 29 2.400 18.885 14.342
199 1HB CYS 29 1HB CYS 29 1.457 16.712 15.082
200 2HB CYS 29 2HB CYS 29 1.027 17.175 13.447
201 H GLY 30 HN GLY 30 4.829 16.217 13.930
202 1HA GLY 30 HA1 GLY 30 6.894 16.326 15.118
203 2HA GLY 30 HA2 GLY 30 6.068 17.083 16.465
204 H ALA 31 HN ALA 31 3.765 14.961 15.619
205 HA ALA 31 HA ALA 31 4.121 13.257 17.740
206 1HB ALA 31 1HB ALA 31 2.386 11.892 16.643
207 2HB ALA 31 2HB ALA 31 2.005 13.626 16.514
208 3HB ALA 31 3HB ALA 31 2.667 12.753 15.111
209 H SER 32 HN SER 32 4.415 10.788 17.590
210 HA SER 32 HA SER 32 6.971 10.358 16.487
211 1HB SER 32 1HB SER 32 6.958 8.354 17.691
212 2HB SER 32 2HB SER 32 5.833 9.326 18.619
213 HG SER 32 HG SER 32 4.236 8.236 16.888
214 H LYS 33 HN LYS 33 7.191 7.960 15.321
215 HA LYS 33 HA LYS 33 5.949 8.346 12.796
216 1HB LYS 33 1HB LYS 33 7.532 6.932 12.030
217 2HB LYS 33 2HB LYS 33 8.289 7.279 13.571
218 1HG LYS 33 1HG LYS 33 7.191 5.256 14.562
219 2HG LYS 33 2HG LYS 33 6.441 4.909 13.017
220 1HD LYS 33 HD2 LYS 33 8.640 4.597 11.956
221 2HD LYS 33 HD3 LYS 33 9.462 5.116 13.414
222 1HE LYS 33 2HE LYS 33 7.563 2.906 13.919
223 2HE LYS 33 3HE LYS 33 8.796 2.472 12.751
224 1HZ LYS 33 HZ1 LYS 33 10.078 2.140 14.564
225 2HZ LYS 33 HZ2 LYS 33 10.210 3.759 14.690
226 H ASP 34 HN ASP 34 4.994 6.851 15.750
227 HA ASP 34 HA ASP 34 3.518 4.741 14.648
228 1HB ASP 34 1HB ASP 34 2.613 4.476 16.859
229 2HB ASP 34 2HB ASP 34 4.270 5.005 17.071
230 HD2 ASP 34 HD2 ASP 34 3.551 5.661 19.138
231 H ALA 35 HN ALA 35 3.137 8.179 14.725
232 HA ALA 35 HA ALA 35 0.284 8.249 14.860
233 1HB ALA 35 1HB ALA 35 2.394 10.284 14.038
234 2HB ALA 35 2HB ALA 35 0.659 10.644 14.215
235 3HB ALA 35 3HB ALA 35 1.611 10.136 15.630
236 H PHE 36 HN PHE 36 2.513 7.182 12.532
237 HA PHE 36 HA PHE 36 0.840 8.031 10.302
238 1HB PHE 36 1HB PHE 36 3.558 6.642 10.654
239 2HB PHE 36 2HB PHE 36 2.824 6.831 9.074
240 HD1 PHE 36 HD1 PHE 36 3.471 9.022 12.040
241 HD2 PHE 36 HD2 PHE 36 3.673 8.559 7.826
242 HE1 PHE 36 HE1 PHE 36 4.494 11.306 11.837
243 HE2 PHE 36 HE2 PHE 36 4.696 10.843 7.624
244 HZ PHE 36 HZ PHE 36 5.094 12.188 9.632
245 H GLU 37 HN GLU 37 -0.246 6.567 8.934
246 HA GLU 37 HA GLU 37 -0.335 3.851 10.000
247 1HB GLU 37 1HB GLU 37 -2.439 5.320 10.215
248 2HB GLU 37 2HB GLU 37 -2.571 5.240 8.469
249 1HG GLU 37 1HG GLU 37 -3.273 3.051 8.488
250 2HG GLU 37 2HG GLU 37 -2.152 2.593 9.753
251 HE2 GLU 37 HE2 GLU 37 -5.848 3.153 10.107
252 H LYS 38 HN LYS 38 0.596 2.367 8.666
253 HA LYS 38 HA LYS 38 1.520 2.976 6.132
254 1HB LYS 38 1HB LYS 38 2.248 1.121 7.712
255 2HB LYS 38 2HB LYS 38 0.865 0.202 7.151
256 1HG LYS 38 1HG LYS 38 2.735 1.419 5.106
257 2HG LYS 38 2HG LYS 38 3.235 -0.034 5.949
258 1HD LYS 38 HD2 LYS 38 0.451 -0.218 4.993
259 2HD LYS 38 HD3 LYS 38 1.574 0.085 3.683
260 1HE LYS 38 2HE LYS 38 2.732 -1.933 4.013
261 2HE LYS 38 3HE LYS 38 2.320 -2.020 5.714
262 1HZ LYS 38 HZ1 LYS 38 0.001 -2.132 4.020
263 2HZ LYS 38 HZ2 LYS 38 1.029 -3.359 3.724
264 H GLN 39 HN GLN 39 0.600 3.099 4.146
265 HA GLN 39 HA GLN 39 -1.943 1.745 3.805
266 1HB GLN 39 1HB GLN 39 -1.844 4.471 4.254
267 2HB GLN 39 2HB GLN 39 -1.790 4.412 2.504
268 1HG GLN 39 1HG GLN 39 -3.996 3.894 2.396
269 2HG GLN 39 2HG GLN 39 -3.766 2.501 3.435
270 1HE2 GLN 39 1HE2 GLN 39 -4.006 6.044 3.500
271 2HE2 GLN 39 2HE2 GLN 39 -4.846 6.185 5.008
Start of MODEL 16
1 1H MET 1 HN MET 1 4.640 2.755 -3.592
2 HA MET 1 HA MET 1 2.075 2.250 -3.415
3 1HB MET 1 1HB MET 1 3.632 -0.344 -3.260
4 2HB MET 1 2HB MET 1 2.257 -0.168 -2.188
5 1HG MET 1 1HG MET 1 0.711 0.046 -3.995
6 2HG MET 1 2HG MET 1 1.965 0.464 -5.146
7 1HE MET 1 1HE MET 1 -0.040 -3.235 -4.901
8 2HE MET 1 2HE MET 1 -0.435 -1.502 -4.819
9 3HE MET 1 3HE MET 1 0.188 -2.202 -6.331
10 H ASP 2 HN ASP 2 5.049 1.094 -1.679
11 HA ASP 2 HA ASP 2 4.172 1.360 0.854
12 1HB ASP 2 1HB ASP 2 6.886 1.925 -0.402
13 2HB ASP 2 2HB ASP 2 6.656 2.037 1.332
14 HD2 ASP 2 HD2 ASP 2 7.265 -0.320 -1.141
15 H ILE 3 HN ILE 3 3.121 3.156 1.733
16 HA ILE 3 HA ILE 3 4.414 5.750 1.358
17 HB ILE 3 HB ILE 3 1.489 5.151 0.912
18 1HG1 ILE 3 2HG1 ILE 3 3.360 6.544 -0.996
19 2HG1 ILE 3 3HG1 ILE 3 3.293 4.794 -0.931
20 1HG2 ILE 3 1HG2 ILE 3 0.932 7.302 1.218
21 2HG2 ILE 3 2HG2 ILE 3 2.417 7.373 2.197
22 3HG2 ILE 3 3HG2 ILE 3 2.444 7.906 0.499
23 1HD1 ILE 3 1HD1 ILE 3 1.735 5.768 -2.642
24 2HD1 ILE 3 2HD1 ILE 3 0.885 4.806 -1.409
25 3HD1 ILE 3 3HD1 ILE 3 0.853 6.584 -1.329
26 H TYR 4 HN TYR 4 4.406 7.022 3.132
27 HA TYR 4 HA TYR 4 3.097 5.888 5.560
28 1HB TYR 4 1HB TYR 4 5.812 7.141 5.127
29 2HB TYR 4 2HB TYR 4 5.055 7.106 6.729
30 HD1 TYR 4 HD1 TYR 4 4.341 4.814 7.664
31 HD2 TYR 4 HD2 TYR 4 7.013 5.289 4.333
32 HE1 TYR 4 HE1 TYR 4 5.185 2.509 8.013
33 HE2 TYR 4 HE2 TYR 4 7.857 2.983 4.683
34 HH TYR 4 HH TYR 4 7.809 1.126 6.026
35 H VAL 5 HN VAL 5 1.177 7.236 5.246
36 HA VAL 5 HA VAL 5 1.706 10.104 5.265
37 HB VAL 5 HB VAL 5 -0.901 8.598 4.995
38 1HG1 VAL 5 1HG1 VAL 5 -0.499 11.257 5.574
39 2HG1 VAL 5 2HG1 VAL 5 -0.632 11.275 3.799
40 3HG1 VAL 5 3HG1 VAL 5 -1.943 10.581 4.784
41 1HG2 VAL 5 1HG2 VAL 5 -0.716 8.747 2.636
42 2HG2 VAL 5 2HG2 VAL 5 0.696 9.826 2.734
43 3HG2 VAL 5 3HG2 VAL 5 0.848 8.116 3.201
44 H CYS 6 HN CYS 6 1.497 11.335 7.079
45 HA CYS 6 HA CYS 6 1.167 10.046 9.548
46 1HB CYS 6 1HB CYS 6 2.515 12.115 9.093
47 2HB CYS 6 2HB CYS 6 1.013 13.012 8.985
48 H THR 7 HN THR 7 -0.616 10.244 11.075
49 HA THR 7 HA THR 7 -3.166 10.864 9.740
50 HB THR 7 HB THR 7 -4.110 9.204 11.324
51 HG1 THR 7 HG1 THR 7 -2.503 9.777 13.021
52 1HG2 THR 7 1HG2 THR 7 -3.322 7.938 9.482
53 2HG2 THR 7 2HG2 THR 7 -1.630 8.411 9.763
54 3HG2 THR 7 3HG2 THR 7 -2.408 7.218 10.829
55 H VAL 8 HN VAL 8 -1.130 12.687 11.188
56 HA VAL 8 HA VAL 8 -3.028 13.671 13.205
57 HB VAL 8 HB VAL 8 -0.021 13.899 13.019
58 1HG1 VAL 8 1HG1 VAL 8 -1.659 14.965 15.312
59 2HG1 VAL 8 2HG1 VAL 8 0.011 15.358 14.836
60 3HG1 VAL 8 3HG1 VAL 8 -1.357 15.964 13.871
61 1HG2 VAL 8 1HG2 VAL 8 0.125 12.251 14.548
62 2HG2 VAL 8 2HG2 VAL 8 -1.279 12.844 15.468
63 3HG2 VAL 8 3HG2 VAL 8 -1.524 11.837 14.021
64 H CYS 9 HN CYS 9 -0.584 14.653 10.711
65 HA CYS 9 HA CYS 9 -2.081 17.154 10.454
66 1HB CYS 9 1HB CYS 9 0.039 17.872 9.190
67 2HB CYS 9 2HB CYS 9 0.075 17.790 10.940
68 H GLY 10 HN GLY 10 -1.075 14.124 8.960
69 1HA GLY 10 HA1 GLY 10 -2.085 13.165 7.122
70 2HA GLY 10 HA2 GLY 10 -2.728 14.721 6.634
71 H TYR 11 HN TYR 11 0.607 14.533 7.612
72 HA TYR 11 HA TYR 11 1.604 15.594 5.181
73 1HB TYR 11 1HB TYR 11 2.709 15.775 7.386
74 2HB TYR 11 2HB TYR 11 3.037 14.034 7.358
75 HD1 TYR 11 HD1 TYR 11 5.200 13.448 6.822
76 HD2 TYR 11 HD2 TYR 11 3.495 16.961 5.031
77 HE1 TYR 11 HE1 TYR 11 7.327 13.865 5.615
78 HE2 TYR 11 HE2 TYR 11 5.621 17.378 3.825
79 HH TYR 11 HH TYR 11 8.359 16.491 4.439
80 H GLU 12 HN GLU 12 3.341 14.456 3.768
81 HA GLU 12 HA GLU 12 2.604 11.652 3.482
82 1HB GLU 12 1HB GLU 12 2.352 13.854 1.522
83 2HB GLU 12 2HB GLU 12 3.209 12.463 0.889
84 1HG GLU 12 1HG GLU 12 1.357 11.068 1.031
85 2HG GLU 12 2HG GLU 12 0.720 11.872 2.452
86 HE2 GLU 12 HE2 GLU 12 -0.792 13.875 1.807
87 H TYR 13 HN TYR 13 4.271 10.275 3.178
88 HA TYR 13 HA TYR 13 6.988 11.482 2.954
89 1HB TYR 13 1HB TYR 13 6.562 10.431 5.119
90 2HB TYR 13 2HB TYR 13 6.048 8.937 4.317
91 HD1 TYR 13 HD1 TYR 13 7.586 7.217 4.202
92 HD2 TYR 13 HD2 TYR 13 9.001 11.271 4.330
93 HE1 TYR 13 HE1 TYR 13 9.927 6.400 4.227
94 HE2 TYR 13 HE2 TYR 13 11.342 10.453 4.354
95 HH TYR 13 HH TYR 13 12.474 7.907 3.434
96 H ASP 14 HN ASP 14 8.652 9.876 1.938
97 HA ASP 14 HA ASP 14 7.313 8.187 0.001
98 1HB ASP 14 1HB ASP 14 8.046 10.591 -0.852
99 2HB ASP 14 2HB ASP 14 9.662 9.916 -0.828
100 HD2 ASP 14 HD2 ASP 14 9.966 8.113 -2.680
101 HA PRO 15 HA PRO 15 10.351 5.703 2.390
102 1HB PRO 15 1HB PRO 15 9.389 3.952 0.082
103 2HB PRO 15 2HB PRO 15 9.741 3.530 1.789
104 1HG PRO 15 1HG PRO 15 7.481 4.036 0.817
105 2HG PRO 15 2HG PRO 15 7.393 4.497 2.549
106 1HD PRO 15 HD2 PRO 15 7.168 6.211 0.219
107 2HD PRO 15 HD3 PRO 15 7.239 6.720 1.933
108 H ALA 16 HN ALA 16 12.353 6.750 1.869
109 HA ALA 16 HA ALA 16 13.947 5.533 -0.024
110 1HB ALA 16 1HB ALA 16 12.577 8.066 -0.984
111 2HB ALA 16 2HB ALA 16 14.127 7.503 -1.655
112 3HB ALA 16 3HB ALA 16 12.672 6.487 -1.799
113 H PHE 17 HN PHE 17 14.827 5.753 2.284
114 HA PHE 17 HA PHE 17 16.445 8.185 2.350
115 1HB PHE 17 1HB PHE 17 14.281 7.383 4.116
116 2HB PHE 17 2HB PHE 17 15.770 7.190 5.019
117 HD1 PHE 17 HD1 PHE 17 15.511 8.945 6.575
118 HD2 PHE 17 HD2 PHE 17 15.157 9.762 2.426
119 HE1 PHE 17 HE1 PHE 17 15.538 11.408 7.058
120 HE2 PHE 17 HE2 PHE 17 15.183 12.225 2.909
121 HZ PHE 17 HZ PHE 17 15.374 13.018 5.219
122 H GLU 18 HN GLU 18 18.218 7.869 4.198
123 HA GLU 18 HA GLU 18 19.736 5.702 3.388
124 1HB GLU 18 1HB GLU 18 21.115 6.358 5.509
125 2HB GLU 18 2HB GLU 18 20.964 7.526 4.212
126 1HG GLU 18 1HG GLU 18 19.698 8.964 5.474
127 2HG GLU 18 2HG GLU 18 18.755 7.670 6.188
128 HE2 GLU 18 HE2 GLU 18 21.959 9.201 6.556
129 H ASP 19 HN ASP 19 17.464 6.174 6.105
130 HA ASP 19 HA ASP 19 17.211 3.403 6.417
131 1HB ASP 19 1HB ASP 19 19.357 4.491 7.859
132 2HB ASP 19 2HB ASP 19 18.064 4.475 9.041
133 HD2 ASP 19 HD2 ASP 19 19.861 1.120 7.984
134 H LEU 20 HN LEU 20 15.996 3.193 8.890
135 HA LEU 20 HA LEU 20 14.353 5.549 9.306
136 1HB LEU 20 1HB LEU 20 13.410 3.827 7.526
137 2HB LEU 20 2HB LEU 20 12.913 2.960 8.965
138 HG LEU 20 HG LEU 20 12.135 5.668 9.337
139 1HD1 LEU 20 1HD1 LEU 20 11.062 6.383 7.449
140 2HD1 LEU 20 2HD1 LEU 20 12.445 5.536 6.714
141 3HD1 LEU 20 3HD1 LEU 20 10.857 4.737 6.801
142 1HD2 LEU 20 1HD2 LEU 20 9.988 4.766 9.646
143 2HD2 LEU 20 2HD2 LEU 20 10.312 3.390 8.564
144 3HD2 LEU 20 3HD2 LEU 20 11.109 3.481 10.153
145 HA PRO 21 HA PRO 21 16.018 3.710 13.154
146 1HB PRO 21 1HB PRO 21 15.273 6.551 13.909
147 2HB PRO 21 2HB PRO 21 16.733 5.582 14.299
148 1HG PRO 21 1HG PRO 21 16.974 7.440 12.288
149 2HG PRO 21 2HG PRO 21 17.733 5.826 12.093
150 1HD PRO 21 HD2 PRO 21 15.025 6.858 11.106
151 2HD PRO 21 HD3 PRO 21 16.257 5.914 10.215
152 H ASP 22 HN ASP 22 14.893 3.905 15.490
153 HA ASP 22 HA ASP 22 12.067 3.550 14.932
154 1HB ASP 22 1HB ASP 22 12.207 2.540 17.367
155 2HB ASP 22 2HB ASP 22 12.800 1.607 16.008
156 HD2 ASP 22 HD2 ASP 22 15.475 0.902 16.970
157 H ASP 23 HN ASP 23 12.446 6.177 14.937
158 HA ASP 23 HA ASP 23 11.074 7.130 17.106
159 1HB ASP 23 1HB ASP 23 13.536 6.675 18.043
160 2HB ASP 23 2HB ASP 23 13.910 8.181 17.229
161 HD2 ASP 23 HD2 ASP 23 11.699 9.585 17.764
162 H TRP 24 HN TRP 24 10.480 7.593 14.593
163 HA TRP 24 HA TRP 24 11.864 10.014 13.698
164 1HB TRP 24 1HB TRP 24 11.549 7.927 12.224
165 2HB TRP 24 2HB TRP 24 9.870 8.413 12.113
166 HD1 TRP 24 HD1 TRP 24 13.132 10.562 11.771
167 HE1 TRP 24 HE1 TRP 24 13.063 11.985 9.550
168 HE3 TRP 24 HE3 TRP 24 8.660 8.772 10.142
169 HZ2 TRP 24 HZ2 TRP 24 11.188 12.197 7.409
170 HZ3 TRP 24 HZ3 TRP 24 7.781 9.638 7.978
171 HH2 TRP 24 HH2 TRP 24 8.968 11.292 6.625
172 H ALA 25 HN ALA 25 10.779 11.983 13.658
173 HA ALA 25 HA ALA 25 7.964 11.892 14.507
174 1HB ALA 25 1HB ALA 25 8.418 14.010 15.704
175 2HB ALA 25 2HB ALA 25 9.449 12.688 16.305
176 3HB ALA 25 3HB ALA 25 10.126 13.919 15.211
177 H CYS 26 HN CYS 26 6.510 13.174 13.361
178 HA CYS 26 HA CYS 26 7.094 13.764 10.751
179 1HB CYS 26 1HB CYS 26 4.839 13.639 12.178
180 2HB CYS 26 2HB CYS 26 5.004 15.382 12.125
181 HA PRO 27 HA PRO 27 9.474 17.482 11.119
182 1HB PRO 27 1HB PRO 27 9.499 18.213 8.505
183 2HB PRO 27 2HB PRO 27 10.305 16.711 9.061
184 1HG PRO 27 1HG PRO 27 7.345 16.816 7.837
185 2HG PRO 27 2HG PRO 27 8.834 15.923 7.386
186 1HD PRO 27 HD2 PRO 27 6.938 14.930 9.141
187 2HD PRO 27 HD3 PRO 27 8.682 14.559 9.304
188 H VAL 28 HN VAL 28 6.111 17.238 10.664
189 HA VAL 28 HA VAL 28 5.895 20.161 10.447
190 HB VAL 28 HB VAL 28 3.882 18.022 9.726
191 1HG1 VAL 28 1HG1 VAL 28 3.267 20.521 10.520
192 2HG1 VAL 28 2HG1 VAL 28 3.585 20.835 8.798
193 3HG1 VAL 28 3HG1 VAL 28 2.351 19.643 9.272
194 1HG2 VAL 28 1HG2 VAL 28 4.498 19.452 7.429
195 2HG2 VAL 28 2HG2 VAL 28 6.077 19.245 8.224
196 3HG2 VAL 28 3HG2 VAL 28 5.079 17.821 7.842
197 H CYS 29 HN CYS 29 3.311 17.923 11.440
198 HA CYS 29 HA CYS 29 2.483 19.326 13.574
199 1HB CYS 29 1HB CYS 29 1.472 17.273 14.424
200 2HB CYS 29 2HB CYS 29 1.245 17.459 12.696
201 H GLY 30 HN GLY 30 5.086 16.817 13.437
202 1HA GLY 30 HA1 GLY 30 6.994 16.777 14.714
203 2HA GLY 30 HA2 GLY 30 6.327 17.989 15.790
204 H ALA 31 HN ALA 31 4.589 15.018 14.771
205 HA ALA 31 HA ALA 31 4.478 14.248 17.583
206 1HB ALA 31 1HB ALA 31 2.945 13.114 15.215
207 2HB ALA 31 2HB ALA 31 2.558 12.950 16.945
208 3HB ALA 31 3HB ALA 31 2.404 14.533 16.144
209 H SER 32 HN SER 32 4.673 11.859 18.081
210 HA SER 32 HA SER 32 7.118 10.962 17.042
211 1HB SER 32 1HB SER 32 6.488 8.856 18.429
212 2HB SER 32 2HB SER 32 6.713 10.366 19.287
213 HG SER 32 HG SER 32 4.086 9.802 18.349
214 H LYS 33 HN LYS 33 7.511 8.879 15.909
215 HA LYS 33 HA LYS 33 6.223 8.566 13.588
216 1HB LYS 33 1HB LYS 33 8.321 7.451 14.200
217 2HB LYS 33 2HB LYS 33 7.458 6.365 15.270
218 1HG LYS 33 1HG LYS 33 6.456 6.523 12.445
219 2HG LYS 33 2HG LYS 33 8.018 5.761 12.673
220 1HD LYS 33 HD2 LYS 33 6.523 4.616 14.722
221 2HD LYS 33 HD3 LYS 33 5.318 4.807 13.463
222 1HE LYS 33 2HE LYS 33 6.553 3.462 11.907
223 2HE LYS 33 3HE LYS 33 8.034 3.592 12.835
224 1HZ LYS 33 HZ1 LYS 33 6.167 1.580 13.048
225 2HZ LYS 33 HZ2 LYS 33 7.420 1.825 14.060
226 H ASP 34 HN ASP 34 5.335 6.961 16.706
227 HA ASP 34 HA ASP 34 3.384 5.342 15.839
228 1HB ASP 34 1HB ASP 34 2.255 5.852 18.094
229 2HB ASP 34 2HB ASP 34 3.926 5.327 18.162
230 HD2 ASP 34 HD2 ASP 34 5.439 6.849 18.656
231 H ALA 35 HN ALA 35 2.078 6.173 14.105
232 HA ALA 35 HA ALA 35 -0.269 7.342 14.561
233 1HB ALA 35 1HB ALA 35 0.531 9.791 13.622
234 2HB ALA 35 2HB ALA 35 0.236 9.417 15.338
235 3HB ALA 35 3HB ALA 35 1.892 9.366 14.688
236 H PHE 36 HN PHE 36 2.623 7.072 12.542
237 HA PHE 36 HA PHE 36 1.253 7.654 10.110
238 1HB PHE 36 1HB PHE 36 3.923 6.457 11.006
239 2HB PHE 36 2HB PHE 36 3.501 6.447 9.305
240 HD1 PHE 36 HD1 PHE 36 3.822 8.775 12.197
241 HD2 PHE 36 HD2 PHE 36 4.025 8.285 7.986
242 HE1 PHE 36 HE1 PHE 36 4.697 11.117 11.967
243 HE2 PHE 36 HE2 PHE 36 4.901 10.626 7.756
244 HZ PHE 36 HZ PHE 36 5.226 12.014 9.749
245 H GLU 37 HN GLU 37 0.385 6.239 8.586
246 HA GLU 37 HA GLU 37 0.310 3.457 9.463
247 1HB GLU 37 1HB GLU 37 -1.840 5.199 9.101
248 2HB GLU 37 2HB GLU 37 -1.817 4.302 7.595
249 1HG GLU 37 1HG GLU 37 -3.231 3.187 9.330
250 2HG GLU 37 2HG GLU 37 -1.913 2.161 8.797
251 HE2 GLU 37 HE2 GLU 37 -0.990 1.204 10.637
252 H LYS 38 HN LYS 38 0.599 1.805 7.872
253 HA LYS 38 HA LYS 38 2.042 2.742 5.546
254 1HB LYS 38 1HB LYS 38 2.807 0.879 7.117
255 2HB LYS 38 2HB LYS 38 1.556 -0.118 6.403
256 1HG LYS 38 1HG LYS 38 2.930 -0.581 4.664
257 2HG LYS 38 2HG LYS 38 2.921 1.112 4.214
258 1HD LYS 38 HD2 LYS 38 5.156 1.073 4.664
259 2HD LYS 38 HD3 LYS 38 4.686 1.129 6.351
260 1HE LYS 38 2HE LYS 38 4.724 -1.574 5.021
261 2HE LYS 38 3HE LYS 38 6.272 -0.826 5.364
262 1HZ LYS 38 HZ1 LYS 38 5.924 -0.991 7.614
263 2HZ LYS 38 HZ2 LYS 38 4.309 -0.805 7.530
264 H GLN 39 HN GLN 39 0.472 3.658 4.185
265 HA GLN 39 HA GLN 39 -1.447 1.695 3.194
266 1HB GLN 39 1HB GLN 39 -2.219 3.894 4.534
267 2HB GLN 39 2HB GLN 39 -2.021 4.641 2.962
268 1HG GLN 39 1HG GLN 39 -3.604 3.099 1.935
269 2HG GLN 39 2HG GLN 39 -3.648 2.095 3.371
270 1HE2 GLN 39 1HE2 GLN 39 -4.955 2.580 5.031
271 2HE2 GLN 39 2HE2 GLN 39 -6.049 3.922 5.089
Start of MODEL 17
1 1H MET 1 HN MET 1 3.072 -1.109 -3.692
2 HA MET 1 HA MET 1 3.049 1.039 -3.334
3 1HB MET 1 1HB MET 1 0.420 0.210 -2.137
4 2HB MET 1 2HB MET 1 1.015 1.771 -1.606
5 1HG MET 1 1HG MET 1 1.456 1.846 -4.374
6 2HG MET 1 2HG MET 1 -0.058 0.973 -4.245
7 1HE MET 1 1HE MET 1 0.597 3.478 -5.598
8 2HE MET 1 2HE MET 1 -1.158 3.766 -5.517
9 3HE MET 1 3HE MET 1 -0.025 5.004 -4.923
10 H ASP 2 HN ASP 2 4.023 2.530 -1.865
11 HA ASP 2 HA ASP 2 4.215 1.635 0.876
12 1HB ASP 2 1HB ASP 2 6.305 1.273 -1.014
13 2HB ASP 2 2HB ASP 2 6.784 2.676 -0.080
14 HD2 ASP 2 HD2 ASP 2 7.103 -0.825 0.324
15 H ILE 3 HN ILE 3 3.419 3.468 1.927
16 HA ILE 3 HA ILE 3 4.755 5.968 1.504
17 HB ILE 3 HB ILE 3 2.005 5.475 0.467
18 1HG1 ILE 3 2HG1 ILE 3 3.177 7.561 -0.913
19 2HG1 ILE 3 3HG1 ILE 3 4.561 6.578 -0.474
20 1HG2 ILE 3 1HG2 ILE 3 1.435 7.852 0.675
21 2HG2 ILE 3 2HG2 ILE 3 1.606 7.070 2.265
22 3HG2 ILE 3 3HG2 ILE 3 2.904 8.119 1.645
23 1HD1 ILE 3 1HD1 ILE 3 3.893 5.579 -2.488
24 2HD1 ILE 3 2HD1 ILE 3 3.057 4.558 -1.295
25 3HD1 ILE 3 3HD1 ILE 3 2.163 5.832 -2.156
26 H TYR 4 HN TYR 4 4.633 7.258 3.277
27 HA TYR 4 HA TYR 4 3.095 6.137 5.574
28 1HB TYR 4 1HB TYR 4 5.812 7.434 5.348
29 2HB TYR 4 2HB TYR 4 4.925 7.433 6.883
30 HD1 TYR 4 HD1 TYR 4 3.910 4.998 7.499
31 HD2 TYR 4 HD2 TYR 4 7.348 5.739 5.031
32 HE1 TYR 4 HE1 TYR 4 4.751 2.715 7.982
33 HE2 TYR 4 HE2 TYR 4 8.187 3.457 5.515
34 HH TYR 4 HH TYR 4 6.358 1.151 7.541
35 H VAL 5 HN VAL 5 1.170 7.422 5.187
36 HA VAL 5 HA VAL 5 1.612 10.306 5.172
37 HB VAL 5 HB VAL 5 -0.851 8.613 4.701
38 1HG1 VAL 5 1HG1 VAL 5 -0.968 11.116 5.646
39 2HG1 VAL 5 2HG1 VAL 5 -0.744 11.492 3.920
40 3HG1 VAL 5 3HG1 VAL 5 -2.122 10.493 4.442
41 1HG2 VAL 5 1HG2 VAL 5 0.070 8.305 2.680
42 2HG2 VAL 5 2HG2 VAL 5 -0.279 10.024 2.384
43 3HG2 VAL 5 3HG2 VAL 5 1.327 9.531 2.972
44 H CYS 6 HN CYS 6 1.583 11.401 7.060
45 HA CYS 6 HA CYS 6 1.049 10.181 9.479
46 1HB CYS 6 1HB CYS 6 2.399 12.260 9.062
47 2HB CYS 6 2HB CYS 6 0.894 13.144 8.903
48 H THR 7 HN THR 7 -0.787 10.452 10.962
49 HA THR 7 HA THR 7 -3.289 11.022 9.518
50 HB THR 7 HB THR 7 -4.252 9.426 11.260
51 HG1 THR 7 HG1 THR 7 -2.436 9.792 12.768
52 1HG2 THR 7 1HG2 THR 7 -2.311 7.545 10.392
53 2HG2 THR 7 2HG2 THR 7 -3.880 7.875 9.620
54 3HG2 THR 7 3HG2 THR 7 -2.420 8.734 9.073
55 H VAL 8 HN VAL 8 -1.291 12.834 11.068
56 HA VAL 8 HA VAL 8 -3.278 13.841 12.984
57 HB VAL 8 HB VAL 8 -0.264 13.979 12.932
58 1HG1 VAL 8 1HG1 VAL 8 -1.384 16.176 13.569
59 2HG1 VAL 8 2HG1 VAL 8 -2.036 15.321 14.988
60 3HG1 VAL 8 3HG1 VAL 8 -0.276 15.475 14.773
61 1HG2 VAL 8 1HG2 VAL 8 -1.435 11.921 13.836
62 2HG2 VAL 8 2HG2 VAL 8 -0.341 12.748 14.971
63 3HG2 VAL 8 3HG2 VAL 8 -2.102 12.962 15.116
64 H CYS 9 HN CYS 9 -0.696 14.828 10.631
65 HA CYS 9 HA CYS 9 -2.198 17.314 10.273
66 1HB CYS 9 1HB CYS 9 0.021 18.004 9.114
67 2HB CYS 9 2HB CYS 9 -0.109 18.022 10.861
68 H GLY 10 HN GLY 10 -1.181 14.262 8.887
69 1HA GLY 10 HA1 GLY 10 -2.072 13.314 6.987
70 2HA GLY 10 HA2 GLY 10 -2.616 14.884 6.430
71 H TYR 11 HN TYR 11 0.620 14.630 7.668
72 HA TYR 11 HA TYR 11 1.880 15.661 5.391
73 1HB TYR 11 1HB TYR 11 2.815 15.557 7.696
74 2HB TYR 11 2HB TYR 11 3.047 13.812 7.498
75 HD1 TYR 11 HD1 TYR 11 5.331 13.402 7.403
76 HD2 TYR 11 HD2 TYR 11 3.695 16.686 5.167
77 HE1 TYR 11 HE1 TYR 11 7.552 13.814 6.381
78 HE2 TYR 11 HE2 TYR 11 5.917 17.096 4.145
79 HH TYR 11 HH TYR 11 8.471 14.925 4.218
80 H GLU 12 HN GLU 12 3.251 14.653 3.729
81 HA GLU 12 HA GLU 12 2.507 11.859 3.331
82 1HB GLU 12 1HB GLU 12 2.337 14.201 1.525
83 2HB GLU 12 2HB GLU 12 3.118 12.814 0.793
84 1HG GLU 12 1HG GLU 12 1.112 11.802 0.511
85 2HG GLU 12 2HG GLU 12 0.831 11.836 2.241
86 HE2 GLU 12 HE2 GLU 12 -0.403 13.397 3.023
87 H TYR 13 HN TYR 13 4.144 10.471 3.202
88 HA TYR 13 HA TYR 13 6.879 11.571 2.754
89 1HB TYR 13 1HB TYR 13 6.424 10.750 5.059
90 2HB TYR 13 2HB TYR 13 6.026 9.159 4.389
91 HD1 TYR 13 HD1 TYR 13 7.687 7.545 4.275
92 HD2 TYR 13 HD2 TYR 13 8.801 11.692 4.362
93 HE1 TYR 13 HE1 TYR 13 10.079 6.900 4.379
94 HE2 TYR 13 HE2 TYR 13 11.194 11.047 4.467
95 HH TYR 13 HH TYR 13 12.338 7.890 3.858
96 H ASP 14 HN ASP 14 8.453 9.808 1.858
97 HA ASP 14 HA ASP 14 6.974 7.957 0.186
98 1HB ASP 14 1HB ASP 14 7.748 10.218 -0.966
99 2HB ASP 14 2HB ASP 14 9.343 9.494 -0.924
100 HD2 ASP 14 HD2 ASP 14 9.294 7.182 -2.343
101 HA PRO 15 HA PRO 15 10.069 5.698 2.738
102 1HB PRO 15 1HB PRO 15 8.888 3.647 0.820
103 2HB PRO 15 2HB PRO 15 9.284 3.516 2.564
104 1HG PRO 15 1HG PRO 15 6.769 4.020 1.777
105 2HG PRO 15 2HG PRO 15 7.365 4.714 3.319
106 1HD PRO 15 HD2 PRO 15 6.761 6.039 0.708
107 2HD PRO 15 HD3 PRO 15 6.955 6.774 2.329
108 H ALA 16 HN ALA 16 12.206 6.068 2.116
109 HA ALA 16 HA ALA 16 13.507 4.656 0.247
110 1HB ALA 16 1HB ALA 16 12.429 5.351 -1.669
111 2HB ALA 16 2HB ALA 16 12.023 6.947 -0.993
112 3HB ALA 16 3HB ALA 16 13.675 6.618 -1.567
113 H PHE 17 HN PHE 17 14.615 5.107 2.399
114 HA PHE 17 HA PHE 17 16.472 7.296 1.966
115 1HB PHE 17 1HB PHE 17 14.261 7.340 3.804
116 2HB PHE 17 2HB PHE 17 15.669 7.009 4.793
117 HD1 PHE 17 HD1 PHE 17 15.829 9.045 5.968
118 HD2 PHE 17 HD2 PHE 17 15.621 9.092 1.729
119 HE1 PHE 17 HE1 PHE 17 16.404 11.489 5.967
120 HE2 PHE 17 HE2 PHE 17 16.196 11.536 1.728
121 HZ PHE 17 HZ PHE 17 16.581 12.704 3.847
122 H GLU 18 HN GLU 18 18.343 7.144 3.616
123 HA GLU 18 HA GLU 18 19.321 4.537 3.501
124 1HB GLU 18 1HB GLU 18 21.185 5.513 4.960
125 2HB GLU 18 2HB GLU 18 20.904 6.322 3.431
126 1HG GLU 18 1HG GLU 18 19.148 7.547 5.340
127 2HG GLU 18 2HG GLU 18 20.713 7.407 6.117
128 HE2 GLU 18 HE2 GLU 18 20.402 10.142 5.400
129 H ASP 19 HN ASP 19 20.560 3.904 5.883
130 HA ASP 19 HA ASP 19 18.792 2.494 7.238
131 1HB ASP 19 1HB ASP 19 21.169 2.335 7.710
132 2HB ASP 19 2HB ASP 19 21.231 3.990 8.284
133 HD2 ASP 19 HD2 ASP 19 21.433 1.197 10.398
134 H LEU 20 HN LEU 20 16.840 3.144 8.166
135 HA LEU 20 HA LEU 20 16.448 5.831 9.008
136 1HB LEU 20 1HB LEU 20 14.862 3.728 8.178
137 2HB LEU 20 2HB LEU 20 14.482 3.856 9.884
138 HG LEU 20 HG LEU 20 14.501 6.481 8.650
139 1HD1 LEU 20 1HD1 LEU 20 13.038 4.299 7.223
140 2HD1 LEU 20 2HD1 LEU 20 12.259 5.890 7.389
141 3HD1 LEU 20 3HD1 LEU 20 13.841 5.754 6.584
142 1HD2 LEU 20 1HD2 LEU 20 12.809 6.829 10.079
143 2HD2 LEU 20 2HD2 LEU 20 11.952 5.349 9.588
144 3HD2 LEU 20 3HD2 LEU 20 13.284 5.256 10.765
145 HA PRO 21 HA PRO 21 17.703 5.436 13.189
146 1HB PRO 21 1HB PRO 21 16.566 7.672 14.221
147 2HB PRO 21 2HB PRO 21 17.829 7.772 12.951
148 1HG PRO 21 1HG PRO 21 14.844 7.916 12.618
149 2HG PRO 21 2HG PRO 21 16.096 8.991 11.915
150 1HD PRO 21 HD2 PRO 21 14.932 6.854 10.558
151 2HD PRO 21 HD3 PRO 21 16.601 7.420 10.240
152 H ASP 22 HN ASP 22 16.574 5.610 15.534
153 HA ASP 22 HA ASP 22 14.076 4.147 15.230
154 1HB ASP 22 1HB ASP 22 14.638 3.435 17.665
155 2HB ASP 22 2HB ASP 22 15.595 2.739 16.373
156 HD2 ASP 22 HD2 ASP 22 17.394 4.785 19.198
157 H ASP 23 HN ASP 23 13.483 6.713 14.982
158 HA ASP 23 HA ASP 23 11.865 7.398 16.987
159 1HB ASP 23 1HB ASP 23 14.681 8.190 17.567
160 2HB ASP 23 2HB ASP 23 13.520 9.490 17.739
161 HD2 ASP 23 HD2 ASP 23 11.496 7.252 19.045
162 H TRP 24 HN TRP 24 11.072 7.830 14.677
163 HA TRP 24 HA TRP 24 12.105 10.351 13.594
164 1HB TRP 24 1HB TRP 24 11.941 8.138 12.246
165 2HB TRP 24 2HB TRP 24 10.225 8.489 12.173
166 HD1 TRP 24 HD1 TRP 24 13.402 10.699 11.510
167 HE1 TRP 24 HE1 TRP 24 13.112 12.065 9.271
168 HE3 TRP 24 HE3 TRP 24 8.786 8.886 10.383
169 HZ2 TRP 24 HZ2 TRP 24 11.033 12.232 7.324
170 HZ3 TRP 24 HZ3 TRP 24 7.696 9.702 8.296
171 HH2 TRP 24 HH2 TRP 24 8.744 11.317 6.789
172 H ALA 25 HN ALA 25 10.793 12.170 13.582
173 HA ALA 25 HA ALA 25 8.016 11.765 14.451
174 1HB ALA 25 1HB ALA 25 9.380 14.284 15.242
175 2HB ALA 25 2HB ALA 25 8.243 13.262 16.154
176 3HB ALA 25 3HB ALA 25 9.962 12.811 16.054
177 H CYS 26 HN CYS 26 6.466 13.006 13.373
178 HA CYS 26 HA CYS 26 7.018 13.787 10.809
179 1HB CYS 26 1HB CYS 26 4.773 13.352 12.076
180 2HB CYS 26 2HB CYS 26 4.802 15.080 12.368
181 HA PRO 27 HA PRO 27 9.153 17.623 11.417
182 1HB PRO 27 1HB PRO 27 9.105 18.490 8.825
183 2HB PRO 27 2HB PRO 27 10.076 17.071 9.341
184 1HG PRO 27 1HG PRO 27 7.230 16.996 8.061
185 2HG PRO 27 2HG PRO 27 8.759 16.167 7.618
186 1HD PRO 27 HD2 PRO 27 6.848 15.021 9.247
187 2HD PRO 27 HD3 PRO 27 8.597 14.722 9.484
188 H VAL 28 HN VAL 28 5.815 17.173 10.844
189 HA VAL 28 HA VAL 28 5.390 20.077 10.737
190 HB VAL 28 HB VAL 28 3.533 17.788 10.053
191 1HG1 VAL 28 1HG1 VAL 28 2.654 20.121 10.951
192 2HG1 VAL 28 2HG1 VAL 28 3.002 20.636 9.283
193 3HG1 VAL 28 3HG1 VAL 28 1.865 19.300 9.583
194 1HG2 VAL 28 1HG2 VAL 28 4.739 17.733 8.154
195 2HG2 VAL 28 2HG2 VAL 28 3.898 19.250 7.754
196 3HG2 VAL 28 3HG2 VAL 28 5.518 19.299 8.488
197 H CYS 29 HN CYS 29 3.017 17.641 11.803
198 HA CYS 29 HA CYS 29 2.208 19.004 13.996
199 1HB CYS 29 1HB CYS 29 1.343 16.838 14.844
200 2HB CYS 29 2HB CYS 29 0.914 17.197 13.183
201 H GLY 30 HN GLY 30 4.715 16.381 13.782
202 1HA GLY 30 HA1 GLY 30 6.767 16.625 14.974
203 2HA GLY 30 HA2 GLY 30 5.911 17.456 16.258
204 H ALA 31 HN ALA 31 3.670 15.218 15.537
205 HA ALA 31 HA ALA 31 4.095 13.665 17.780
206 1HB ALA 31 1HB ALA 31 2.560 12.090 16.095
207 2HB ALA 31 2HB ALA 31 1.941 13.386 17.147
208 3HB ALA 31 3HB ALA 31 2.308 13.725 15.438
209 H SER 32 HN SER 32 4.454 11.228 17.816
210 HA SER 32 HA SER 32 6.927 10.740 16.534
211 1HB SER 32 1HB SER 32 6.930 8.651 17.795
212 2HB SER 32 2HB SER 32 6.383 9.948 18.839
213 HG SER 32 HG SER 32 4.426 9.053 19.000
214 H LYS 33 HN LYS 33 7.224 8.398 15.475
215 HA LYS 33 HA LYS 33 5.393 8.353 13.253
216 1HB LYS 33 1HB LYS 33 6.994 6.595 12.414
217 2HB LYS 33 2HB LYS 33 7.682 8.185 12.683
218 1HG LYS 33 1HG LYS 33 8.965 7.488 14.483
219 2HG LYS 33 2HG LYS 33 7.771 6.329 15.030
220 1HD LYS 33 HD2 LYS 33 8.537 5.269 12.564
221 2HD LYS 33 HD3 LYS 33 10.037 5.954 13.158
222 1HE LYS 33 2HE LYS 33 9.443 4.748 15.418
223 2HE LYS 33 3HE LYS 33 8.300 3.827 14.461
224 1HZ LYS 33 HZ1 LYS 33 10.807 3.905 13.138
225 2HZ LYS 33 HZ2 LYS 33 11.029 3.371 14.661
226 H ASP 34 HN ASP 34 3.820 7.837 15.361
227 HA ASP 34 HA ASP 34 3.614 4.929 15.365
228 1HB ASP 34 1HB ASP 34 3.980 5.959 17.609
229 2HB ASP 34 2HB ASP 34 2.572 6.977 17.379
230 HD2 ASP 34 HD2 ASP 34 2.227 4.910 19.668
231 H ALA 35 HN ALA 35 1.966 8.116 15.077
232 HA ALA 35 HA ALA 35 -0.627 7.006 14.676
233 1HB ALA 35 1HB ALA 35 0.013 9.328 15.575
234 2HB ALA 35 2HB ALA 35 0.342 9.770 13.882
235 3HB ALA 35 3HB ALA 35 -1.295 9.269 14.368
236 H PHE 36 HN PHE 36 2.237 7.388 12.747
237 HA PHE 36 HA PHE 36 1.045 7.783 10.244
238 1HB PHE 36 1HB PHE 36 3.627 6.610 11.378
239 2HB PHE 36 2HB PHE 36 3.342 6.501 9.653
240 HD1 PHE 36 HD1 PHE 36 3.654 8.914 12.449
241 HD2 PHE 36 HD2 PHE 36 3.757 8.340 8.245
242 HE1 PHE 36 HE1 PHE 36 4.550 11.240 12.153
243 HE2 PHE 36 HE2 PHE 36 4.653 10.665 7.949
244 HZ PHE 36 HZ PHE 36 5.040 12.088 9.907
245 H GLU 37 HN GLU 37 0.128 6.398 8.759
246 HA GLU 37 HA GLU 37 0.408 3.563 9.277
247 1HB GLU 37 1HB GLU 37 -1.696 4.235 10.392
248 2HB GLU 37 2HB GLU 37 -2.270 4.980 8.913
249 1HG GLU 37 1HG GLU 37 -2.227 2.779 7.759
250 2HG GLU 37 2HG GLU 37 -1.577 2.017 9.197
251 HE2 GLU 37 HE2 GLU 37 -4.068 1.374 10.727
252 H LYS 38 HN LYS 38 0.379 2.279 7.383
253 HA LYS 38 HA LYS 38 1.002 3.637 5.000
254 1HB LYS 38 1HB LYS 38 1.990 1.504 5.476
255 2HB LYS 38 2HB LYS 38 0.425 0.733 5.632
256 1HG LYS 38 1HG LYS 38 -0.015 1.433 3.182
257 2HG LYS 38 2HG LYS 38 1.680 1.866 3.095
258 1HD LYS 38 HD2 LYS 38 1.209 -0.828 4.249
259 2HD LYS 38 HD3 LYS 38 0.639 -0.668 2.599
260 1HE LYS 38 2HE LYS 38 2.883 0.196 1.904
261 2HE LYS 38 3HE LYS 38 3.454 0.049 3.554
262 1HZ LYS 38 HZ1 LYS 38 3.116 -2.336 3.439
263 2HZ LYS 38 HZ2 LYS 38 2.440 -2.244 1.960
264 H GLN 39 HN GLN 39 -0.191 4.028 3.125
265 HA GLN 39 HA GLN 39 -2.958 3.184 3.180
266 1HB GLN 39 1HB GLN 39 -3.767 5.457 2.637
267 2HB GLN 39 2HB GLN 39 -2.982 5.426 4.203
268 1HG GLN 39 1HG GLN 39 -1.604 7.081 3.501
269 2HG GLN 39 2HG GLN 39 -0.897 5.963 2.352
270 1HE2 GLN 39 1HE2 GLN 39 -3.601 8.191 2.857
271 2HE2 GLN 39 2HE2 GLN 39 -3.805 8.683 1.209
Start of MODEL 18
1 1H MET 1 HN MET 1 1.399 3.031 -2.609
2 HA MET 1 HA MET 1 2.032 0.251 -3.178
3 1HB MET 1 1HB MET 1 2.752 2.594 -4.752
4 2HB MET 1 2HB MET 1 4.217 1.940 -4.046
5 1HG MET 1 1HG MET 1 3.435 -0.375 -4.904
6 2HG MET 1 2HG MET 1 2.209 0.478 -5.819
7 1HE MET 1 1HE MET 1 5.102 -1.159 -5.771
8 2HE MET 1 2HE MET 1 5.940 -0.757 -7.288
9 3HE MET 1 3HE MET 1 6.421 0.036 -5.769
10 H ASP 2 HN ASP 2 3.513 3.412 -2.134
11 HA ASP 2 HA ASP 2 4.210 2.228 0.356
12 1HB ASP 2 1HB ASP 2 6.514 3.357 -1.265
13 2HB ASP 2 2HB ASP 2 6.588 2.373 0.182
14 HD2 ASP 2 HD2 ASP 2 6.386 2.343 -3.152
15 H ILE 3 HN ILE 3 3.006 4.015 1.249
16 HA ILE 3 HA ILE 3 4.375 6.581 1.017
17 HB ILE 3 HB ILE 3 1.442 6.097 0.521
18 1HG1 ILE 3 2HG1 ILE 3 2.544 7.870 -1.358
19 2HG1 ILE 3 3HG1 ILE 3 3.756 6.620 -1.157
20 1HG2 ILE 3 1HG2 ILE 3 0.997 8.402 0.692
21 2HG2 ILE 3 2HG2 ILE 3 1.925 7.991 2.155
22 3HG2 ILE 3 3HG2 ILE 3 2.725 8.816 0.796
23 1HD1 ILE 3 1HD1 ILE 3 2.285 5.822 -2.873
24 2HD1 ILE 3 2HD1 ILE 3 1.847 4.904 -1.413
25 3HD1 ILE 3 3HD1 ILE 3 0.836 6.270 -1.942
26 H TYR 4 HN TYR 4 4.331 7.799 2.862
27 HA TYR 4 HA TYR 4 3.170 6.436 5.247
28 1HB TYR 4 1HB TYR 4 5.734 7.971 4.805
29 2HB TYR 4 2HB TYR 4 5.037 7.793 6.424
30 HD1 TYR 4 HD1 TYR 4 4.326 5.258 7.002
31 HD2 TYR 4 HD2 TYR 4 7.327 6.428 4.160
32 HE1 TYR 4 HE1 TYR 4 5.398 3.033 7.219
33 HE2 TYR 4 HE2 TYR 4 8.399 4.201 4.376
34 HH TYR 4 HH TYR 4 8.435 2.292 6.316
35 H VAL 5 HN VAL 5 1.167 7.539 5.426
36 HA VAL 5 HA VAL 5 1.398 10.465 5.507
37 HB VAL 5 HB VAL 5 -1.043 8.729 5.096
38 1HG1 VAL 5 1HG1 VAL 5 -1.926 10.704 5.886
39 2HG1 VAL 5 2HG1 VAL 5 -0.581 11.687 5.259
40 3HG1 VAL 5 3HG1 VAL 5 -1.827 11.070 4.147
41 1HG2 VAL 5 1HG2 VAL 5 -0.844 9.796 2.722
42 2HG2 VAL 5 2HG2 VAL 5 0.869 10.011 3.155
43 3HG2 VAL 5 3HG2 VAL 5 0.155 8.381 3.133
44 H CYS 6 HN CYS 6 1.550 11.282 7.526
45 HA CYS 6 HA CYS 6 1.122 9.765 9.803
46 1HB CYS 6 1HB CYS 6 2.430 11.985 9.411
47 2HB CYS 6 2HB CYS 6 0.909 12.760 9.809
48 H THR 7 HN THR 7 -0.609 9.994 11.454
49 HA THR 7 HA THR 7 -3.175 10.716 10.203
50 HB THR 7 HB THR 7 -4.085 9.021 11.859
51 HG1 THR 7 HG1 THR 7 -2.183 9.310 13.309
52 1HG2 THR 7 1HG2 THR 7 -3.070 8.400 9.465
53 2HG2 THR 7 2HG2 THR 7 -1.777 7.661 10.441
54 3HG2 THR 7 3HG2 THR 7 -3.459 7.108 10.626
55 H VAL 8 HN VAL 8 -0.955 12.233 11.917
56 HA VAL 8 HA VAL 8 -2.923 13.318 13.813
57 HB VAL 8 HB VAL 8 -0.862 12.065 14.688
58 1HG1 VAL 8 1HG1 VAL 8 1.202 12.778 14.212
59 2HG1 VAL 8 2HG1 VAL 8 0.474 13.847 12.990
60 3HG1 VAL 8 3HG1 VAL 8 0.791 14.458 14.631
61 1HG2 VAL 8 1HG2 VAL 8 -0.488 13.872 16.467
62 2HG2 VAL 8 2HG2 VAL 8 -1.646 14.859 15.543
63 3HG2 VAL 8 3HG2 VAL 8 -2.157 13.297 16.230
64 H CYS 9 HN CYS 9 -1.790 13.812 10.823
65 HA CYS 9 HA CYS 9 -2.250 16.605 10.970
66 1HB CYS 9 1HB CYS 9 -0.037 17.236 9.932
67 2HB CYS 9 2HB CYS 9 -0.038 16.898 11.652
68 H GLY 10 HN GLY 10 -0.917 13.750 9.206
69 1HA GLY 10 HA1 GLY 10 -2.017 12.884 7.307
70 2HA GLY 10 HA2 GLY 10 -2.589 14.490 6.900
71 H TYR 11 HN TYR 11 0.594 14.592 8.049
72 HA TYR 11 HA TYR 11 1.825 15.727 5.909
73 1HB TYR 11 1HB TYR 11 2.857 15.347 8.116
74 2HB TYR 11 2HB TYR 11 3.022 13.622 7.743
75 HD1 TYR 11 HD1 TYR 11 5.317 13.214 7.628
76 HD2 TYR 11 HD2 TYR 11 3.679 16.623 5.593
77 HE1 TYR 11 HE1 TYR 11 7.522 13.649 6.582
78 HE2 TYR 11 HE2 TYR 11 5.884 17.058 4.547
79 HH TYR 11 HH TYR 11 8.487 16.411 5.262
80 H GLU 12 HN GLU 12 3.268 14.932 4.147
81 HA GLU 12 HA GLU 12 2.576 12.207 3.383
82 1HB GLU 12 1HB GLU 12 2.104 14.740 1.902
83 2HB GLU 12 2HB GLU 12 2.859 13.480 0.946
84 1HG GLU 12 1HG GLU 12 0.827 12.150 2.410
85 2HG GLU 12 2HG GLU 12 0.098 13.664 1.912
86 HE2 GLU 12 HE2 GLU 12 -0.999 12.997 -0.228
87 H TYR 13 HN TYR 13 4.343 11.022 3.194
88 HA TYR 13 HA TYR 13 6.889 12.373 2.425
89 1HB TYR 13 1HB TYR 13 6.978 11.688 4.736
90 2HB TYR 13 2HB TYR 13 6.351 10.081 4.337
91 HD1 TYR 13 HD1 TYR 13 7.858 8.335 4.148
92 HD2 TYR 13 HD2 TYR 13 9.210 12.347 3.426
93 HE1 TYR 13 HE1 TYR 13 10.177 7.502 3.858
94 HE2 TYR 13 HE2 TYR 13 11.528 11.514 3.136
95 HH TYR 13 HH TYR 13 12.576 9.030 2.406
96 H ASP 14 HN ASP 14 8.464 10.926 1.229
97 HA ASP 14 HA ASP 14 6.961 8.903 -0.237
98 1HB ASP 14 1HB ASP 14 7.640 11.104 -1.465
99 2HB ASP 14 2HB ASP 14 9.286 10.512 -1.367
100 HD2 ASP 14 HD2 ASP 14 9.707 8.562 -2.907
101 HA PRO 15 HA PRO 15 10.027 6.485 2.140
102 1HB PRO 15 1HB PRO 15 8.974 4.572 0.021
103 2HB PRO 15 2HB PRO 15 9.281 4.319 1.770
104 1HG PRO 15 1HG PRO 15 6.958 4.810 0.793
105 2HG PRO 15 2HG PRO 15 7.128 5.377 2.487
106 1HD PRO 15 HD2 PRO 15 6.785 6.946 0.029
107 2HD PRO 15 HD3 PRO 15 6.917 7.544 1.711
108 H ALA 16 HN ALA 16 12.149 7.065 1.605
109 HA ALA 16 HA ALA 16 13.437 5.797 -0.496
110 1HB ALA 16 1HB ALA 16 13.875 7.806 -1.961
111 2HB ALA 16 2HB ALA 16 12.201 7.204 -2.023
112 3HB ALA 16 3HB ALA 16 12.589 8.661 -1.076
113 H PHE 17 HN PHE 17 13.954 6.001 2.183
114 HA PHE 17 HA PHE 17 16.153 7.946 2.273
115 1HB PHE 17 1HB PHE 17 13.895 7.641 3.919
116 2HB PHE 17 2HB PHE 17 15.088 6.689 4.781
117 HD1 PHE 17 HD1 PHE 17 15.518 9.852 2.857
118 HD2 PHE 17 HD2 PHE 17 15.654 7.947 6.646
119 HE1 PHE 17 HE1 PHE 17 16.452 11.947 3.877
120 HE2 PHE 17 HE2 PHE 17 16.588 10.041 7.666
121 HZ PHE 17 HZ PHE 17 16.976 12.017 6.269
122 H GLU 18 HN GLU 18 17.300 6.846 4.696
123 HA GLU 18 HA GLU 18 17.904 4.117 3.988
124 1HB GLU 18 1HB GLU 18 19.548 5.594 2.749
125 2HB GLU 18 2HB GLU 18 20.114 6.196 4.295
126 1HG GLU 18 1HG GLU 18 20.747 3.888 4.983
127 2HG GLU 18 2HG GLU 18 20.134 3.253 3.468
128 HE2 GLU 18 HE2 GLU 18 22.641 6.015 3.949
129 H ASP 19 HN ASP 19 19.073 6.840 6.112
130 HA ASP 19 HA ASP 19 19.873 5.422 8.219
131 1HB ASP 19 1HB ASP 19 19.298 8.094 7.695
132 2HB ASP 19 2HB ASP 19 18.169 7.735 8.985
133 HD2 ASP 19 HD2 ASP 19 22.003 8.239 9.756
134 H LEU 20 HN LEU 20 16.580 6.993 8.073
135 HA LEU 20 HA LEU 20 14.738 6.526 9.264
136 1HB LEU 20 1HB LEU 20 14.065 5.388 7.417
137 2HB LEU 20 2HB LEU 20 15.371 4.223 7.501
138 HG LEU 20 HG LEU 20 14.263 2.952 9.196
139 1HD1 LEU 20 1HD1 LEU 20 12.734 3.710 10.639
140 2HD1 LEU 20 2HD1 LEU 20 13.187 5.327 10.052
141 3HD1 LEU 20 3HD1 LEU 20 11.773 4.495 9.363
142 1HD2 LEU 20 1HD2 LEU 20 11.994 2.533 8.056
143 2HD2 LEU 20 2HD2 LEU 20 12.514 3.768 6.884
144 3HD2 LEU 20 3HD2 LEU 20 13.478 2.287 7.104
145 HA PRO 21 HA PRO 21 16.706 4.658 12.912
146 1HB PRO 21 1HB PRO 21 16.011 6.646 14.647
147 2HB PRO 21 2HB PRO 21 17.371 6.826 13.491
148 1HG PRO 21 1HG PRO 21 14.646 7.781 13.304
149 2HG PRO 21 2HG PRO 21 16.116 8.721 12.887
150 1HD PRO 21 HD2 PRO 21 14.511 7.499 10.995
151 2HD PRO 21 HD3 PRO 21 16.280 7.662 10.783
152 H ASP 22 HN ASP 22 15.603 4.014 15.068
153 HA ASP 22 HA ASP 22 12.923 3.245 14.394
154 1HB ASP 22 1HB ASP 22 13.191 2.114 16.770
155 2HB ASP 22 2HB ASP 22 14.041 1.450 15.388
156 HD2 ASP 22 HD2 ASP 22 16.322 1.980 15.281
157 H ASP 23 HN ASP 23 12.823 5.947 14.639
158 HA ASP 23 HA ASP 23 11.033 6.407 16.634
159 1HB ASP 23 1HB ASP 23 12.795 6.245 18.291
160 2HB ASP 23 2HB ASP 23 13.878 7.237 17.335
161 HD2 ASP 23 HD2 ASP 23 12.730 9.456 19.871
162 H TRP 24 HN TRP 24 10.887 7.066 14.053
163 HA TRP 24 HA TRP 24 12.036 9.678 13.564
164 1HB TRP 24 1HB TRP 24 11.837 7.744 11.884
165 2HB TRP 24 2HB TRP 24 10.141 8.175 11.773
166 HD1 TRP 24 HD1 TRP 24 13.375 10.397 11.675
167 HE1 TRP 24 HE1 TRP 24 13.283 12.054 9.623
168 HE3 TRP 24 HE3 TRP 24 8.895 8.779 9.896
169 HZ2 TRP 24 HZ2 TRP 24 11.390 12.492 7.533
170 HZ3 TRP 24 HZ3 TRP 24 7.995 9.874 7.845
171 HH2 TRP 24 HH2 TRP 24 9.167 11.671 6.672
172 H ALA 25 HN ALA 25 10.834 11.614 13.491
173 HA ALA 25 HA ALA 25 8.024 11.358 14.318
174 1HB ALA 25 1HB ALA 25 9.961 12.214 15.985
175 2HB ALA 25 2HB ALA 25 9.618 13.747 15.148
176 3HB ALA 25 3HB ALA 25 8.313 12.890 16.004
177 H CYS 26 HN CYS 26 6.553 12.699 13.255
178 HA CYS 26 HA CYS 26 7.045 13.434 10.707
179 1HB CYS 26 1HB CYS 26 4.897 13.552 12.424
180 2HB CYS 26 2HB CYS 26 5.168 15.243 12.053
181 HA PRO 27 HA PRO 27 9.553 17.072 11.074
182 1HB PRO 27 1HB PRO 27 9.635 17.830 8.500
183 2HB PRO 27 2HB PRO 27 10.258 16.217 8.978
184 1HG PRO 27 1HG PRO 27 7.371 16.721 7.800
185 2HG PRO 27 2HG PRO 27 8.726 15.627 7.365
186 1HD PRO 27 HD2 PRO 27 6.616 14.992 9.122
187 2HD PRO 27 HD3 PRO 27 8.225 14.205 9.149
188 H VAL 28 HN VAL 28 6.292 17.063 11.177
189 HA VAL 28 HA VAL 28 6.192 19.978 10.881
190 HB VAL 28 HB VAL 28 3.852 18.233 10.179
191 1HG1 VAL 28 1HG1 VAL 28 4.708 21.064 9.513
192 2HG1 VAL 28 2HG1 VAL 28 3.342 20.240 8.722
193 3HG1 VAL 28 3HG1 VAL 28 3.308 20.537 10.476
194 1HG2 VAL 28 1HG2 VAL 28 4.536 18.459 7.772
195 2HG2 VAL 28 2HG2 VAL 28 6.130 19.017 8.335
196 3HG2 VAL 28 3HG2 VAL 28 5.570 17.375 8.735
197 H CYS 29 HN CYS 29 3.920 17.331 11.895
198 HA CYS 29 HA CYS 29 2.992 18.803 14.078
199 1HB CYS 29 1HB CYS 29 1.876 16.750 14.755
200 2HB CYS 29 2HB CYS 29 1.660 17.076 13.047
201 H GLY 30 HN GLY 30 5.534 16.288 13.629
202 1HA GLY 30 HA1 GLY 30 7.418 15.975 14.875
203 2HA GLY 30 HA2 GLY 30 6.864 17.162 16.040
204 H ALA 31 HN ALA 31 4.897 14.383 14.900
205 HA ALA 31 HA ALA 31 4.799 13.455 17.662
206 1HB ALA 31 1HB ALA 31 2.638 13.754 16.770
207 2HB ALA 31 2HB ALA 31 3.095 13.075 15.190
208 3HB ALA 31 3HB ALA 31 2.923 12.005 16.601
209 H SER 32 HN SER 32 5.100 11.169 18.165
210 HA SER 32 HA SER 32 7.372 10.148 16.972
211 1HB SER 32 1HB SER 32 6.761 8.041 18.286
212 2HB SER 32 2HB SER 32 6.885 9.516 19.226
213 HG SER 32 HG SER 32 4.706 9.584 19.525
214 H LYS 33 HN LYS 33 7.700 8.331 15.544
215 HA LYS 33 HA LYS 33 6.195 8.164 13.337
216 1HB LYS 33 1HB LYS 33 8.319 7.135 13.363
217 2HB LYS 33 2HB LYS 33 7.907 6.094 14.711
218 1HG LYS 33 1HG LYS 33 6.540 4.682 13.382
219 2HG LYS 33 2HG LYS 33 6.305 5.902 12.146
220 1HD LYS 33 HD2 LYS 33 9.058 4.732 12.715
221 2HD LYS 33 HD3 LYS 33 7.940 3.942 11.621
222 1HE LYS 33 2HE LYS 33 8.611 6.888 11.282
223 2HE LYS 33 3HE LYS 33 9.670 5.652 10.633
224 1HZ LYS 33 HZ1 LYS 33 7.738 6.543 9.173
225 2HZ LYS 33 HZ2 LYS 33 8.029 4.941 9.156
226 H ASP 34 HN ASP 34 5.719 6.249 16.364
227 HA ASP 34 HA ASP 34 3.792 4.574 15.526
228 1HB ASP 34 1HB ASP 34 2.899 4.736 17.911
229 2HB ASP 34 2HB ASP 34 4.616 4.411 17.777
230 HD2 ASP 34 HD2 ASP 34 5.424 6.956 19.774
231 H ALA 35 HN ALA 35 2.280 5.496 14.014
232 HA ALA 35 HA ALA 35 -0.077 6.443 14.815
233 1HB ALA 35 1HB ALA 35 0.444 9.022 14.097
234 2HB ALA 35 2HB ALA 35 0.416 8.449 15.782
235 3HB ALA 35 3HB ALA 35 1.966 8.603 14.919
236 H PHE 36 HN PHE 36 2.609 6.589 12.516
237 HA PHE 36 HA PHE 36 1.064 7.395 10.294
238 1HB PHE 36 1HB PHE 36 3.733 6.019 10.853
239 2HB PHE 36 2HB PHE 36 3.175 6.133 9.195
240 HD1 PHE 36 HD1 PHE 36 3.730 8.298 12.184
241 HD2 PHE 36 HD2 PHE 36 3.763 7.992 7.952
242 HE1 PHE 36 HE1 PHE 36 4.680 10.616 12.024
243 HE2 PHE 36 HE2 PHE 36 4.713 10.309 7.792
244 HZ PHE 36 HZ PHE 36 5.160 11.594 9.829
245 H GLU 37 HN GLU 37 0.056 6.187 8.662
246 HA GLU 37 HA GLU 37 0.020 3.312 9.127
247 1HB GLU 37 1HB GLU 37 -2.086 4.542 9.942
248 2HB GLU 37 2HB GLU 37 -2.419 4.915 8.262
249 1HG GLU 37 1HG GLU 37 -3.206 2.818 7.864
250 2HG GLU 37 2HG GLU 37 -1.776 2.077 8.555
251 HE2 GLU 37 HE2 GLU 37 -4.682 1.245 10.640
252 H LYS 38 HN LYS 38 0.629 2.172 7.336
253 HA LYS 38 HA LYS 38 1.301 3.493 4.965
254 1HB LYS 38 1HB LYS 38 2.399 1.449 5.742
255 2HB LYS 38 2HB LYS 38 0.914 0.540 5.540
256 1HG LYS 38 1HG LYS 38 1.104 0.462 3.240
257 2HG LYS 38 2HG LYS 38 1.780 2.075 3.130
258 1HD LYS 38 HD2 LYS 38 3.494 -0.004 4.456
259 2HD LYS 38 HD3 LYS 38 3.253 -0.178 2.729
260 1HE LYS 38 2HE LYS 38 3.913 2.317 2.522
261 2HE LYS 38 3HE LYS 38 4.422 2.225 4.196
262 1HZ LYS 38 HZ1 LYS 38 5.971 0.462 3.593
263 2HZ LYS 38 HZ2 LYS 38 5.457 0.451 2.048
264 H GLN 39 HN GLN 39 -0.037 4.365 3.485
265 HA GLN 39 HA GLN 39 -2.631 3.068 3.189
266 1HB GLN 39 1HB GLN 39 -2.479 5.526 3.975
267 2HB GLN 39 2HB GLN 39 -1.946 5.911 2.351
268 1HG GLN 39 1HG GLN 39 -4.084 4.605 1.564
269 2HG GLN 39 2HG GLN 39 -4.623 4.766 3.223
270 1HE2 GLN 39 1HE2 GLN 39 -5.600 6.554 3.837
271 2HE2 GLN 39 2HE2 GLN 39 -5.680 8.046 2.961
Start of MODEL 19
1 1H MET 1 HN MET 1 3.421 3.315 -3.342
2 HA MET 1 HA MET 1 2.084 1.616 -2.378
3 1HB MET 1 1HB MET 1 4.511 0.042 -3.169
4 2HB MET 1 2HB MET 1 3.818 -0.422 -1.627
5 1HG MET 1 1HG MET 1 1.518 -0.325 -3.036
6 2HG MET 1 2HG MET 1 2.605 -0.594 -4.384
7 1HE MET 1 1HE MET 1 0.788 -2.274 -4.422
8 2HE MET 1 2HE MET 1 1.572 -3.869 -4.498
9 3HE MET 1 3HE MET 1 0.467 -3.484 -3.157
10 H ASP 2 HN ASP 2 5.636 1.756 -1.586
11 HA ASP 2 HA ASP 2 5.179 1.808 1.162
12 1HB ASP 2 1HB ASP 2 7.589 2.990 -0.282
13 2HB ASP 2 2HB ASP 2 7.549 2.334 1.342
14 HD2 ASP 2 HD2 ASP 2 6.194 -0.221 0.480
15 H ILE 3 HN ILE 3 3.729 3.512 1.771
16 HA ILE 3 HA ILE 3 4.835 6.197 1.448
17 HB ILE 3 HB ILE 3 2.039 5.315 0.753
18 1HG1 ILE 3 2HG1 ILE 3 3.626 7.129 -0.979
19 2HG1 ILE 3 3HG1 ILE 3 4.223 5.487 -0.846
20 1HG2 ILE 3 1HG2 ILE 3 2.802 7.726 2.066
21 2HG2 ILE 3 2HG2 ILE 3 2.367 8.122 0.387
22 3HG2 ILE 3 3HG2 ILE 3 1.210 7.257 1.426
23 1HD1 ILE 3 1HD1 ILE 3 1.726 6.500 -2.110
24 2HD1 ILE 3 2HD1 ILE 3 2.704 5.067 -2.509
25 3HD1 ILE 3 3HD1 ILE 3 1.538 5.002 -1.166
26 H TYR 4 HN TYR 4 4.787 7.364 3.252
27 HA TYR 4 HA TYR 4 3.314 6.212 5.576
28 1HB TYR 4 1HB TYR 4 6.070 7.292 5.219
29 2HB TYR 4 2HB TYR 4 5.238 7.707 6.726
30 HD1 TYR 4 HD1 TYR 4 6.418 6.442 8.324
31 HD2 TYR 4 HD2 TYR 4 4.950 4.543 4.761
32 HE1 TYR 4 HE1 TYR 4 7.009 4.223 9.262
33 HE2 TYR 4 HE2 TYR 4 5.541 2.325 5.700
34 HH TYR 4 HH TYR 4 5.881 1.443 8.419
35 H VAL 5 HN VAL 5 1.391 7.527 4.994
36 HA VAL 5 HA VAL 5 1.833 10.400 5.116
37 HB VAL 5 HB VAL 5 -0.676 8.791 4.604
38 1HG1 VAL 5 1HG1 VAL 5 -1.816 10.718 4.392
39 2HG1 VAL 5 2HG1 VAL 5 -0.481 11.440 5.321
40 3HG1 VAL 5 3HG1 VAL 5 -0.478 11.529 3.542
41 1HG2 VAL 5 1HG2 VAL 5 1.579 9.043 2.959
42 2HG2 VAL 5 2HG2 VAL 5 -0.047 8.500 2.481
43 3HG2 VAL 5 3HG2 VAL 5 0.405 10.214 2.313
44 H CYS 6 HN CYS 6 1.715 11.477 7.012
45 HA CYS 6 HA CYS 6 1.114 10.193 9.392
46 1HB CYS 6 1HB CYS 6 2.486 12.285 9.037
47 2HB CYS 6 2HB CYS 6 0.980 13.171 8.905
48 H THR 7 HN THR 7 -0.766 10.425 10.813
49 HA THR 7 HA THR 7 -3.217 11.062 9.306
50 HB THR 7 HB THR 7 -4.242 9.433 10.995
51 HG1 THR 7 HG1 THR 7 -2.456 9.697 12.544
52 1HG2 THR 7 1HG2 THR 7 -3.836 7.764 9.489
53 2HG2 THR 7 2HG2 THR 7 -2.633 8.821 8.712
54 3HG2 THR 7 3HG2 THR 7 -2.131 7.688 9.990
55 H VAL 8 HN VAL 8 -1.223 12.761 11.040
56 HA VAL 8 HA VAL 8 -3.273 13.746 12.898
57 HB VAL 8 HB VAL 8 -0.257 13.894 12.934
58 1HG1 VAL 8 1HG1 VAL 8 -2.316 15.434 14.499
59 2HG1 VAL 8 2HG1 VAL 8 -0.759 15.005 15.247
60 3HG1 VAL 8 3HG1 VAL 8 -0.793 15.995 13.767
61 1HG2 VAL 8 1HG2 VAL 8 -0.590 11.909 13.959
62 2HG2 VAL 8 2HG2 VAL 8 -1.044 12.915 15.356
63 3HG2 VAL 8 3HG2 VAL 8 -2.305 12.249 14.292
64 H CYS 9 HN CYS 9 -0.633 14.774 10.628
65 HA CYS 9 HA CYS 9 -2.094 17.290 10.323
66 1HB CYS 9 1HB CYS 9 0.175 17.947 9.199
67 2HB CYS 9 2HB CYS 9 -0.025 17.989 10.940
68 H GLY 10 HN GLY 10 -1.089 14.270 8.860
69 1HA GLY 10 HA1 GLY 10 -2.026 13.413 6.920
70 2HA GLY 10 HA2 GLY 10 -2.426 15.030 6.374
71 H TYR 11 HN TYR 11 0.686 14.940 7.700
72 HA TYR 11 HA TYR 11 2.115 15.789 5.538
73 1HB TYR 11 1HB TYR 11 2.910 15.469 7.907
74 2HB TYR 11 2HB TYR 11 3.133 13.750 7.541
75 HD1 TYR 11 HD1 TYR 11 5.446 13.416 7.626
76 HD2 TYR 11 HD2 TYR 11 3.868 16.740 5.408
77 HE1 TYR 11 HE1 TYR 11 7.711 13.896 6.735
78 HE2 TYR 11 HE2 TYR 11 6.133 17.220 4.518
79 HH TYR 11 HH TYR 11 8.772 15.067 4.778
80 H GLU 12 HN GLU 12 3.575 14.727 3.945
81 HA GLU 12 HA GLU 12 2.666 12.015 3.377
82 1HB GLU 12 1HB GLU 12 2.720 14.431 1.629
83 2HB GLU 12 2HB GLU 12 3.320 12.962 0.885
84 1HG GLU 12 1HG GLU 12 1.165 12.360 0.518
85 2HG GLU 12 2HG GLU 12 0.998 12.124 2.247
86 HE2 GLU 12 HE2 GLU 12 -1.292 14.774 0.793
87 H TYR 13 HN TYR 13 4.228 10.551 2.978
88 HA TYR 13 HA TYR 13 6.961 11.461 2.335
89 1HB TYR 13 1HB TYR 13 6.795 11.401 4.810
90 2HB TYR 13 2HB TYR 13 6.287 9.706 4.719
91 HD1 TYR 13 HD1 TYR 13 7.895 8.058 4.968
92 HD2 TYR 13 HD2 TYR 13 9.079 11.934 3.547
93 HE1 TYR 13 HE1 TYR 13 10.269 7.342 4.997
94 HE2 TYR 13 HE2 TYR 13 11.454 11.218 3.576
95 HH TYR 13 HH TYR 13 12.520 8.176 3.641
96 H ASP 14 HN ASP 14 8.401 9.518 1.744
97 HA ASP 14 HA ASP 14 6.751 7.264 0.956
98 1HB ASP 14 1HB ASP 14 7.302 9.049 -0.923
99 2HB ASP 14 2HB ASP 14 8.906 8.346 -0.885
100 HD2 ASP 14 HD2 ASP 14 6.542 7.831 -3.135
101 HA PRO 15 HA PRO 15 10.215 5.836 3.641
102 1HB PRO 15 1HB PRO 15 8.805 3.345 2.574
103 2HB PRO 15 2HB PRO 15 9.503 3.679 4.193
104 1HG PRO 15 1HG PRO 15 6.896 4.011 3.688
105 2HG PRO 15 2HG PRO 15 7.610 5.152 4.874
106 1HD PRO 15 HD2 PRO 15 6.655 5.623 2.094
107 2HD PRO 15 HD3 PRO 15 7.073 6.820 3.358
108 H ALA 16 HN ALA 16 12.035 6.414 2.304
109 HA ALA 16 HA ALA 16 13.188 4.320 0.875
110 1HB ALA 16 1HB ALA 16 11.191 5.488 -0.632
111 2HB ALA 16 2HB ALA 16 12.632 6.394 -1.151
112 3HB ALA 16 3HB ALA 16 12.597 4.620 -1.292
113 H PHE 17 HN PHE 17 14.560 5.307 2.677
114 HA PHE 17 HA PHE 17 16.159 7.458 1.490
115 1HB PHE 17 1HB PHE 17 14.575 7.353 3.958
116 2HB PHE 17 2HB PHE 17 16.270 7.489 4.386
117 HD1 PHE 17 HD1 PHE 17 16.716 9.662 5.004
118 HD2 PHE 17 HD2 PHE 17 14.261 8.982 1.610
119 HE1 PHE 17 HE1 PHE 17 16.626 12.133 4.573
120 HE2 PHE 17 HE2 PHE 17 14.171 11.453 1.180
121 HZ PHE 17 HZ PHE 17 15.355 13.000 2.666
122 H GLU 18 HN GLU 18 18.314 7.627 2.996
123 HA GLU 18 HA GLU 18 19.737 5.366 2.447
124 1HB GLU 18 1HB GLU 18 20.455 7.259 4.713
125 2HB GLU 18 2HB GLU 18 21.544 6.390 3.649
126 1HG GLU 18 1HG GLU 18 20.024 7.841 1.831
127 2HG GLU 18 2HG GLU 18 20.091 8.943 3.192
128 HE2 GLU 18 HE2 GLU 18 23.572 9.373 2.922
129 H ASP 19 HN ASP 19 19.045 6.512 5.833
130 HA ASP 19 HA ASP 19 18.490 3.738 6.493
131 1HB ASP 19 1HB ASP 19 20.887 4.529 7.111
132 2HB ASP 19 2HB ASP 19 20.125 5.583 8.285
133 HD2 ASP 19 HD2 ASP 19 18.755 2.116 8.502
134 H LEU 20 HN LEU 20 17.238 3.591 8.626
135 HA LEU 20 HA LEU 20 15.809 6.105 9.152
136 1HB LEU 20 1HB LEU 20 14.753 3.859 8.024
137 2HB LEU 20 2HB LEU 20 14.428 3.568 9.721
138 HG LEU 20 HG LEU 20 13.725 6.288 8.870
139 1HD1 LEU 20 1HD1 LEU 20 12.039 4.058 7.726
140 2HD1 LEU 20 2HD1 LEU 20 11.909 5.811 7.444
141 3HD1 LEU 20 3HD1 LEU 20 13.290 4.902 6.783
142 1HD2 LEU 20 1HD2 LEU 20 13.112 4.678 10.964
143 2HD2 LEU 20 2HD2 LEU 20 12.145 6.083 10.456
144 3HD2 LEU 20 3HD2 LEU 20 11.677 4.446 9.936
145 HA PRO 21 HA PRO 21 17.159 5.499 13.293
146 1HB PRO 21 1HB PRO 21 15.914 7.559 14.472
147 2HB PRO 21 2HB PRO 21 17.065 7.867 13.131
148 1HG PRO 21 1HG PRO 21 13.900 7.816 12.730
149 2HG PRO 21 2HG PRO 21 15.290 8.881 12.340
150 1HD PRO 21 HD2 PRO 21 14.223 6.738 10.745
151 2HD PRO 21 HD3 PRO 21 15.777 7.586 10.482
152 H ASP 22 HN ASP 22 16.042 5.347 15.613
153 HA ASP 22 HA ASP 22 13.659 3.738 15.179
154 1HB ASP 22 1HB ASP 22 14.278 2.954 17.604
155 2HB ASP 22 2HB ASP 22 15.225 2.356 16.255
156 HD2 ASP 22 HD2 ASP 22 18.137 3.831 17.364
157 H ASP 23 HN ASP 23 13.301 6.539 15.185
158 HA ASP 23 HA ASP 23 11.432 6.885 17.149
159 1HB ASP 23 1HB ASP 23 13.766 7.072 18.441
160 2HB ASP 23 2HB ASP 23 13.787 8.686 17.760
161 HD2 ASP 23 HD2 ASP 23 12.909 10.131 19.374
162 H TRP 24 HN TRP 24 11.262 7.329 14.503
163 HA TRP 24 HA TRP 24 12.084 9.992 13.789
164 1HB TRP 24 1HB TRP 24 11.955 7.901 12.286
165 2HB TRP 24 2HB TRP 24 10.234 8.218 12.217
166 HD1 TRP 24 HD1 TRP 24 13.359 10.546 11.742
167 HE1 TRP 24 HE1 TRP 24 13.062 12.045 9.590
168 HE3 TRP 24 HE3 TRP 24 8.811 8.685 10.430
169 HZ2 TRP 24 HZ2 TRP 24 11.006 12.279 7.626
170 HZ3 TRP 24 HZ3 TRP 24 7.728 9.604 8.382
171 HH2 TRP 24 HH2 TRP 24 8.751 11.339 6.998
172 H ALA 25 HN ALA 25 10.771 11.827 13.771
173 HA ALA 25 HA ALA 25 7.980 11.411 14.584
174 1HB ALA 25 1HB ALA 25 10.099 13.234 15.734
175 2HB ALA 25 2HB ALA 25 8.376 13.668 15.838
176 3HB ALA 25 3HB ALA 25 8.960 12.160 16.582
177 H CYS 26 HN CYS 26 6.466 12.688 13.511
178 HA CYS 26 HA CYS 26 7.082 13.592 11.007
179 1HB CYS 26 1HB CYS 26 4.807 13.098 12.152
180 2HB CYS 26 2HB CYS 26 4.835 14.791 12.607
181 HA PRO 27 HA PRO 27 9.221 17.382 11.848
182 1HB PRO 27 1HB PRO 27 9.274 18.355 9.297
183 2HB PRO 27 2HB PRO 27 10.206 16.900 9.780
184 1HG PRO 27 1HG PRO 27 7.385 16.892 8.387
185 2HG PRO 27 2HG PRO 27 8.947 16.106 7.991
186 1HD PRO 27 HD2 PRO 27 6.964 14.893 9.499
187 2HD PRO 27 HD3 PRO 27 8.705 14.573 9.766
188 H VAL 28 HN VAL 28 5.903 16.978 11.181
189 HA VAL 28 HA VAL 28 5.497 19.886 11.160
190 HB VAL 28 HB VAL 28 3.646 17.639 10.341
191 1HG1 VAL 28 1HG1 VAL 28 2.841 20.177 9.313
192 2HG1 VAL 28 2HG1 VAL 28 1.979 19.113 10.451
193 3HG1 VAL 28 3HG1 VAL 28 3.100 20.352 11.065
194 1HG2 VAL 28 1HG2 VAL 28 5.646 19.257 8.869
195 2HG2 VAL 28 2HG2 VAL 28 4.982 17.645 8.513
196 3HG2 VAL 28 3HG2 VAL 28 4.053 19.103 8.088
197 H CYS 29 HN CYS 29 3.090 17.418 12.070
198 HA CYS 29 HA CYS 29 2.231 18.712 14.294
199 1HB CYS 29 1HB CYS 29 1.319 16.519 15.027
200 2HB CYS 29 2HB CYS 29 0.928 16.965 13.378
201 H GLY 30 HN GLY 30 4.730 16.090 14.016
202 1HA GLY 30 HA1 GLY 30 6.744 16.254 15.278
203 2HA GLY 30 HA2 GLY 30 5.857 17.023 16.579
204 H ALA 31 HN ALA 31 3.635 14.828 15.658
205 HA ALA 31 HA ALA 31 3.990 13.161 17.837
206 1HB ALA 31 1HB ALA 31 1.835 13.405 16.819
207 2HB ALA 31 2HB ALA 31 2.447 12.870 15.236
208 3HB ALA 31 3HB ALA 31 2.316 11.709 16.577
209 H SER 32 HN SER 32 4.318 10.715 17.738
210 HA SER 32 HA SER 32 6.817 10.282 16.464
211 1HB SER 32 1HB SER 32 6.702 8.055 17.586
212 2HB SER 32 2HB SER 32 6.416 9.379 18.699
213 HG SER 32 HG SER 32 4.855 7.734 19.055
214 H LYS 33 HN LYS 33 7.083 7.933 15.361
215 HA LYS 33 HA LYS 33 5.295 7.997 13.106
216 1HB LYS 33 1HB LYS 33 6.871 6.618 12.029
217 2HB LYS 33 2HB LYS 33 7.815 7.749 12.978
218 1HG LYS 33 1HG LYS 33 7.231 5.490 14.667
219 2HG LYS 33 2HG LYS 33 7.787 4.861 13.129
220 1HD LYS 33 HD2 LYS 33 9.905 5.840 13.324
221 2HD LYS 33 HD3 LYS 33 9.324 7.166 14.313
222 1HE LYS 33 2HE LYS 33 9.709 4.269 15.206
223 2HE LYS 33 3HE LYS 33 10.676 5.648 15.696
224 1HZ LYS 33 HZ1 LYS 33 8.135 6.406 16.331
225 2HZ LYS 33 HZ2 LYS 33 8.114 4.818 16.693
226 H ASP 34 HN ASP 34 3.665 7.475 15.165
227 HA ASP 34 HA ASP 34 3.379 4.575 15.100
228 1HB ASP 34 1HB ASP 34 3.715 5.554 17.373
229 2HB ASP 34 2HB ASP 34 2.336 6.608 17.129
230 HD2 ASP 34 HD2 ASP 34 0.039 4.306 18.046
231 H ALA 35 HN ALA 35 1.800 7.809 14.884
232 HA ALA 35 HA ALA 35 -0.794 6.753 14.351
233 1HB ALA 35 1HB ALA 35 0.173 9.544 13.690
234 2HB ALA 35 2HB ALA 35 -1.443 9.015 14.215
235 3HB ALA 35 3HB ALA 35 -0.093 9.036 15.376
236 H PHE 36 HN PHE 36 2.134 7.212 12.537
237 HA PHE 36 HA PHE 36 1.030 7.755 10.023
238 1HB PHE 36 1HB PHE 36 3.560 6.499 11.179
239 2HB PHE 36 2HB PHE 36 3.331 6.465 9.443
240 HD1 PHE 36 HD1 PHE 36 3.564 8.759 12.345
241 HD2 PHE 36 HD2 PHE 36 3.821 8.352 8.130
242 HE1 PHE 36 HE1 PHE 36 4.493 11.084 12.178
243 HE2 PHE 36 HE2 PHE 36 4.750 10.678 7.962
244 HZ PHE 36 HZ PHE 36 5.075 12.016 9.988
245 H GLU 37 HN GLU 37 0.152 6.466 8.431
246 HA GLU 37 HA GLU 37 0.398 3.607 8.776
247 1HB GLU 37 1HB GLU 37 -1.861 4.815 9.719
248 2HB GLU 37 2HB GLU 37 -2.342 4.561 8.053
249 1HG GLU 37 1HG GLU 37 -1.135 2.333 9.746
250 2HG GLU 37 2HG GLU 37 -2.859 2.651 9.719
251 HE2 GLU 37 HE2 GLU 37 -2.936 2.028 6.177
252 H LYS 38 HN LYS 38 0.446 2.470 6.805
253 HA LYS 38 HA LYS 38 1.053 3.986 4.523
254 1HB LYS 38 1HB LYS 38 2.068 1.841 4.860
255 2HB LYS 38 2HB LYS 38 0.513 1.041 4.959
256 1HG LYS 38 1HG LYS 38 0.162 2.107 2.529
257 2HG LYS 38 2HG LYS 38 1.913 2.169 2.530
258 1HD LYS 38 HD2 LYS 38 1.719 -0.359 3.342
259 2HD LYS 38 HD3 LYS 38 0.105 -0.256 2.667
260 1HE LYS 38 2HE LYS 38 1.003 0.382 0.466
261 2HE LYS 38 3HE LYS 38 2.628 0.489 1.114
262 1HZ LYS 38 HZ1 LYS 38 1.205 -2.056 1.432
263 2HZ LYS 38 HZ2 LYS 38 1.793 -1.702 -0.044
264 H GLN 39 HN GLN 39 -0.204 4.829 2.932
265 HA GLN 39 HA GLN 39 -2.818 3.694 2.543
266 1HB GLN 39 1HB GLN 39 -2.332 6.335 3.814
267 2HB GLN 39 2HB GLN 39 -3.470 6.381 2.482
268 1HG GLN 39 1HG GLN 39 -3.839 4.117 4.403
269 2HG GLN 39 2HG GLN 39 -4.152 5.713 5.057
270 1HE2 GLN 39 1HE2 GLN 39 -4.846 3.611 2.287
271 2HE2 GLN 39 2HE2 GLN 39 -6.456 4.167 1.977
Start of MODEL 20
1 1H MET 1 HN MET 1 8.305 1.910 -0.184
2 HA MET 1 HA MET 1 6.570 1.530 -2.472
3 1HB MET 1 1HB MET 1 7.975 -0.602 -1.361
4 2HB MET 1 2HB MET 1 6.498 -0.651 -0.419
5 1HG MET 1 1HG MET 1 5.151 -1.135 -2.280
6 2HG MET 1 2HG MET 1 6.237 -0.347 -3.409
7 1HE MET 1 1HE MET 1 6.574 -4.580 -1.691
8 2HE MET 1 2HE MET 1 6.821 -3.196 -0.599
9 3HE MET 1 3HE MET 1 5.269 -3.396 -1.446
10 H ASP 2 HN ASP 2 4.295 1.584 -1.952
11 HA ASP 2 HA ASP 2 2.518 2.101 -0.816
12 1HB ASP 2 1HB ASP 2 3.980 0.621 1.050
13 2HB ASP 2 2HB ASP 2 3.650 2.102 1.925
14 HD2 ASP 2 HD2 ASP 2 1.548 -0.526 0.344
15 H ILE 3 HN ILE 3 2.140 3.636 1.603
16 HA ILE 3 HA ILE 3 3.929 5.907 1.413
17 HB ILE 3 HB ILE 3 1.105 5.904 0.456
18 1HG1 ILE 3 2HG1 ILE 3 2.714 7.919 -0.718
19 2HG1 ILE 3 3HG1 ILE 3 3.728 6.495 -0.587
20 1HG2 ILE 3 1HG2 ILE 3 0.929 8.329 0.850
21 2HG2 ILE 3 2HG2 ILE 3 0.985 7.397 2.365
22 3HG2 ILE 3 3HG2 ILE 3 2.431 8.272 1.804
23 1HD1 ILE 3 1HD1 ILE 3 2.298 6.689 -2.719
24 2HD1 ILE 3 2HD1 ILE 3 2.193 5.143 -1.843
25 3HD1 ILE 3 3HD1 ILE 3 0.891 6.347 -1.684
26 H TYR 4 HN TYR 4 3.903 7.191 3.246
27 HA TYR 4 HA TYR 4 2.338 6.069 5.524
28 1HB TYR 4 1HB TYR 4 5.182 7.089 5.348
29 2HB TYR 4 2HB TYR 4 4.321 6.945 6.889
30 HD1 TYR 4 HD1 TYR 4 3.722 4.745 7.798
31 HD2 TYR 4 HD2 TYR 4 5.931 5.130 4.134
32 HE1 TYR 4 HE1 TYR 4 4.359 2.352 7.931
33 HE2 TYR 4 HE2 TYR 4 6.567 2.736 4.266
34 HH TYR 4 HH TYR 4 6.713 0.891 5.791
35 H VAL 5 HN VAL 5 0.647 7.724 4.826
36 HA VAL 5 HA VAL 5 1.450 10.473 5.169
37 HB VAL 5 HB VAL 5 -1.181 9.114 4.565
38 1HG1 VAL 5 1HG1 VAL 5 -1.566 11.214 5.794
39 2HG1 VAL 5 2HG1 VAL 5 -0.558 12.088 4.615
40 3HG1 VAL 5 3HG1 VAL 5 -2.088 11.339 4.097
41 1HG2 VAL 5 1HG2 VAL 5 1.071 10.068 2.949
42 2HG2 VAL 5 2HG2 VAL 5 -0.268 8.976 2.520
43 3HG2 VAL 5 3HG2 VAL 5 -0.495 10.740 2.433
44 H CYS 6 HN CYS 6 1.655 11.374 7.145
45 HA CYS 6 HA CYS 6 1.056 10.166 9.493
46 1HB CYS 6 1HB CYS 6 2.454 12.195 9.177
47 2HB CYS 6 2HB CYS 6 0.997 13.147 8.979
48 H THR 7 HN THR 7 -0.723 10.411 11.044
49 HA THR 7 HA THR 7 -3.261 11.073 9.705
50 HB THR 7 HB THR 7 -4.183 9.460 11.473
51 HG1 THR 7 HG1 THR 7 -2.270 9.717 12.876
52 1HG2 THR 7 1HG2 THR 7 -3.382 8.724 9.083
53 2HG2 THR 7 2HG2 THR 7 -1.928 8.124 9.918
54 3HG2 THR 7 3HG2 THR 7 -3.527 7.461 10.330
55 H VAL 8 HN VAL 8 -1.207 12.846 11.185
56 HA VAL 8 HA VAL 8 -3.113 13.839 13.191
57 HB VAL 8 HB VAL 8 -0.113 13.733 13.105
58 1HG1 VAL 8 1HG1 VAL 8 -0.475 15.205 15.316
59 2HG1 VAL 8 2HG1 VAL 8 -0.158 15.929 13.721
60 3HG1 VAL 8 3HG1 VAL 8 -1.823 15.839 14.342
61 1HG2 VAL 8 1HG2 VAL 8 -0.688 13.133 15.608
62 2HG2 VAL 8 2HG2 VAL 8 -2.297 12.782 14.931
63 3HG2 VAL 8 3HG2 VAL 8 -0.867 11.919 14.317
64 H CYS 9 HN CYS 9 -0.528 14.823 10.836
65 HA CYS 9 HA CYS 9 -1.986 17.342 10.540
66 1HB CYS 9 1HB CYS 9 0.212 18.084 9.446
67 2HB CYS 9 2HB CYS 9 0.140 17.943 11.191
68 H GLY 10 HN GLY 10 -1.007 14.311 9.083
69 1HA GLY 10 HA1 GLY 10 -1.995 13.451 7.164
70 2HA GLY 10 HA2 GLY 10 -2.364 15.070 6.604
71 H TYR 11 HN TYR 11 0.760 14.894 7.915
72 HA TYR 11 HA TYR 11 2.201 15.710 5.753
73 1HB TYR 11 1HB TYR 11 3.024 15.361 8.093
74 2HB TYR 11 2HB TYR 11 3.138 13.626 7.751
75 HD1 TYR 11 HD1 TYR 11 5.418 13.127 7.780
76 HD2 TYR 11 HD2 TYR 11 4.039 16.564 5.603
77 HE1 TYR 11 HE1 TYR 11 7.697 13.458 6.860
78 HE2 TYR 11 HE2 TYR 11 6.318 16.896 4.683
79 HH TYR 11 HH TYR 11 8.729 16.279 5.313
80 H GLU 12 HN GLU 12 3.679 14.575 4.189
81 HA GLU 12 HA GLU 12 2.622 11.931 3.562
82 1HB GLU 12 1HB GLU 12 2.770 14.368 1.875
83 2HB GLU 12 2HB GLU 12 3.413 12.933 1.101
84 1HG GLU 12 1HG GLU 12 1.095 11.934 2.245
85 2HG GLU 12 2HG GLU 12 0.608 13.575 1.868
86 HE2 GLU 12 HE2 GLU 12 -0.015 13.324 -1.016
87 H TYR 13 HN TYR 13 4.123 10.398 3.411
88 HA TYR 13 HA TYR 13 6.972 11.234 3.388
89 1HB TYR 13 1HB TYR 13 6.194 9.874 5.286
90 2HB TYR 13 2HB TYR 13 5.638 8.618 4.167
91 HD1 TYR 13 HD1 TYR 13 7.011 6.783 3.904
92 HD2 TYR 13 HD2 TYR 13 8.776 10.586 4.838
93 HE1 TYR 13 HE1 TYR 13 9.255 5.726 3.973
94 HE2 TYR 13 HE2 TYR 13 11.019 9.530 4.908
95 HH TYR 13 HH TYR 13 11.762 6.682 5.360
96 H ASP 14 HN ASP 14 8.522 9.845 2.088
97 HA ASP 14 HA ASP 14 7.139 8.635 -0.165
98 1HB ASP 14 1HB ASP 14 8.181 11.041 -0.517
99 2HB ASP 14 2HB ASP 14 9.717 10.199 -0.513
100 HD2 ASP 14 HD2 ASP 14 9.399 9.894 -3.858
101 HA PRO 15 HA PRO 15 9.761 5.486 1.984
102 1HB PRO 15 1HB PRO 15 8.605 4.176 -0.521
103 2HB PRO 15 2HB PRO 15 8.878 3.503 1.120
104 1HG PRO 15 1HG PRO 15 6.501 4.462 0.358
105 2HG PRO 15 2HG PRO 15 6.898 4.673 2.095
106 1HD PRO 15 HD2 PRO 15 6.694 6.690 -0.076
107 2HD PRO 15 HD3 PRO 15 6.831 6.953 1.689
108 H ALA 16 HN ALA 16 11.835 6.516 1.525
109 HA ALA 16 HA ALA 16 13.367 5.257 -0.389
110 1HB ALA 16 1HB ALA 16 12.178 6.354 -2.144
111 2HB ALA 16 2HB ALA 16 12.190 7.910 -1.281
112 3HB ALA 16 3HB ALA 16 13.702 7.256 -1.956
113 H PHE 17 HN PHE 17 14.307 5.304 1.871
114 HA PHE 17 HA PHE 17 15.963 7.708 2.115
115 1HB PHE 17 1HB PHE 17 13.894 6.653 3.871
116 2HB PHE 17 2HB PHE 17 15.433 6.404 4.672
117 HD1 PHE 17 HD1 PHE 17 13.040 8.295 5.365
118 HD2 PHE 17 HD2 PHE 17 16.797 8.899 3.486
119 HE1 PHE 17 HE1 PHE 17 13.034 10.687 6.122
120 HE2 PHE 17 HE2 PHE 17 16.791 11.292 4.244
121 HZ PHE 17 HZ PHE 17 14.910 12.158 5.553
122 H GLU 18 HN GLU 18 17.630 7.020 4.152
123 HA GLU 18 HA GLU 18 18.507 4.318 3.678
124 1HB GLU 18 1HB GLU 18 19.631 6.337 2.154
125 2HB GLU 18 2HB GLU 18 20.735 6.274 3.514
126 1HG GLU 18 1HG GLU 18 21.595 4.700 1.923
127 2HG GLU 18 2HG GLU 18 20.847 3.732 3.179
128 HE2 GLU 18 HE2 GLU 18 20.325 3.787 -0.452
129 H ASP 19 HN ASP 19 17.370 4.867 5.979
130 HA ASP 19 HA ASP 19 19.349 4.510 7.846
131 1HB ASP 19 1HB ASP 19 19.794 6.950 7.450
132 2HB ASP 19 2HB ASP 19 18.137 7.314 7.888
133 HD2 ASP 19 HD2 ASP 19 20.651 8.133 9.250
134 H LEU 20 HN LEU 20 16.339 6.580 7.750
135 HA LEU 20 HA LEU 20 14.535 6.511 9.082
136 1HB LEU 20 1HB LEU 20 13.565 5.369 7.376
137 2HB LEU 20 2HB LEU 20 14.678 4.018 7.478
138 HG LEU 20 HG LEU 20 13.027 4.158 9.862
139 1HD1 LEU 20 1HD1 LEU 20 11.582 5.227 7.916
140 2HD1 LEU 20 2HD1 LEU 20 11.355 3.519 7.472
141 3HD1 LEU 20 3HD1 LEU 20 10.881 4.088 9.090
142 1HD2 LEU 20 1HD2 LEU 20 13.016 1.900 9.660
143 2HD2 LEU 20 2HD2 LEU 20 12.771 1.941 7.897
144 3HD2 LEU 20 3HD2 LEU 20 14.388 2.242 8.579
145 HA PRO 21 HA PRO 21 16.693 4.762 12.733
146 1HB PRO 21 1HB PRO 21 15.361 7.173 13.922
147 2HB PRO 21 2HB PRO 21 17.072 6.635 13.981
148 1HG PRO 21 1HG PRO 21 16.315 8.766 12.449
149 2HG PRO 21 2HG PRO 21 17.632 7.613 12.061
150 1HD PRO 21 HD2 PRO 21 14.750 7.727 11.051
151 2HD PRO 21 HD3 PRO 21 16.252 7.397 10.135
152 H ASP 22 HN ASP 22 15.574 4.440 15.065
153 HA ASP 22 HA ASP 22 12.942 3.426 14.421
154 1HB ASP 22 1HB ASP 22 13.297 2.369 16.811
155 2HB ASP 22 2HB ASP 22 14.157 1.703 15.437
156 HD2 ASP 22 HD2 ASP 22 15.735 1.048 17.418
157 H ASP 23 HN ASP 23 13.181 6.273 14.723
158 HA ASP 23 HA ASP 23 11.295 6.699 16.742
159 1HB ASP 23 1HB ASP 23 13.550 6.582 18.025
160 2HB ASP 23 2HB ASP 23 13.974 8.075 17.212
161 HD2 ASP 23 HD2 ASP 23 12.560 8.752 20.499
162 H TRP 24 HN TRP 24 11.139 7.197 14.059
163 HA TRP 24 HA TRP 24 12.139 9.806 13.398
164 1HB TRP 24 1HB TRP 24 11.870 7.855 11.809
165 2HB TRP 24 2HB TRP 24 10.141 8.129 11.880
166 HD1 TRP 24 HD1 TRP 24 13.115 10.627 11.319
167 HE1 TRP 24 HE1 TRP 24 12.640 12.159 9.224
168 HE3 TRP 24 HE3 TRP 24 8.647 8.512 10.128
169 HZ2 TRP 24 HZ2 TRP 24 10.497 12.310 7.345
170 HZ3 TRP 24 HZ3 TRP 24 7.428 9.411 8.148
171 HH2 TRP 24 HH2 TRP 24 8.284 11.243 6.776
172 H ALA 25 HN ALA 25 10.895 11.729 13.244
173 HA ALA 25 HA ALA 25 8.169 11.526 14.316
174 1HB ALA 25 1HB ALA 25 9.248 12.385 16.179
175 2HB ALA 25 2HB ALA 25 10.500 13.201 15.213
176 3HB ALA 25 3HB ALA 25 8.861 13.890 15.312
177 H CYS 26 HN CYS 26 6.635 12.793 13.267
178 HA CYS 26 HA CYS 26 7.091 13.512 10.672
179 1HB CYS 26 1HB CYS 26 4.897 13.230 12.092
180 2HB CYS 26 2HB CYS 26 5.031 14.966 12.292
181 HA PRO 27 HA PRO 27 9.459 17.233 11.076
182 1HB PRO 27 1HB PRO 27 9.248 18.076 8.473
183 2HB PRO 27 2HB PRO 27 10.213 16.643 8.951
184 1HG PRO 27 1HG PRO 27 7.276 16.583 7.783
185 2HG PRO 27 2HG PRO 27 8.833 15.784 7.389
186 1HD PRO 27 HD2 PRO 27 6.893 14.722 9.101
187 2HD PRO 27 HD3 PRO 27 8.639 14.351 9.234
188 H VAL 28 HN VAL 28 6.067 16.959 10.736
189 HA VAL 28 HA VAL 28 5.794 19.881 10.640
190 HB VAL 28 HB VAL 28 3.775 17.700 10.078
191 1HG1 VAL 28 1HG1 VAL 28 2.326 19.351 10.615
192 2HG1 VAL 28 2HG1 VAL 28 3.551 20.631 10.438
193 3HG1 VAL 28 3HG1 VAL 28 2.735 19.973 8.999
194 1HG2 VAL 28 1HG2 VAL 28 5.629 19.275 8.339
195 2HG2 VAL 28 2HG2 VAL 28 5.063 17.594 8.186
196 3HG2 VAL 28 3HG2 VAL 28 3.990 18.940 7.729
197 H CYS 29 HN CYS 29 3.363 17.577 11.855
198 HA CYS 29 HA CYS 29 2.764 18.981 14.091
199 1HB CYS 29 1HB CYS 29 1.843 16.857 14.996
200 2HB CYS 29 2HB CYS 29 1.324 17.250 13.369
201 H GLY 30 HN GLY 30 5.086 16.202 13.748
202 1HA GLY 30 HA1 GLY 30 7.228 16.353 14.809
203 2HA GLY 30 HA2 GLY 30 6.489 17.210 16.145
204 H ALA 31 HN ALA 31 4.094 15.110 15.573
205 HA ALA 31 HA ALA 31 4.564 13.516 17.765
206 1HB ALA 31 1HB ALA 31 2.937 12.319 15.596
207 2HB ALA 31 2HB ALA 31 2.494 12.714 17.275
208 3HB ALA 31 3HB ALA 31 2.492 13.988 16.031
209 H SER 32 HN SER 32 4.860 11.088 17.811
210 HA SER 32 HA SER 32 7.228 10.491 16.399
211 1HB SER 32 1HB SER 32 6.953 8.231 17.559
212 2HB SER 32 2HB SER 32 7.041 9.625 18.619
213 HG SER 32 HG SER 32 4.742 8.050 17.901
214 H LYS 33 HN LYS 33 7.387 8.163 15.305
215 HA LYS 33 HA LYS 33 5.457 8.199 13.174
216 1HB LYS 33 1HB LYS 33 6.942 6.335 12.296
217 2HB LYS 33 2HB LYS 33 7.683 7.913 12.474
218 1HG LYS 33 1HG LYS 33 9.109 7.206 14.128
219 2HG LYS 33 2HG LYS 33 7.878 6.243 14.919
220 1HD LYS 33 HD2 LYS 33 8.257 4.824 12.563
221 2HD LYS 33 HD3 LYS 33 9.869 5.445 12.859
222 1HE LYS 33 2HE LYS 33 10.195 4.068 14.656
223 2HE LYS 33 3HE LYS 33 8.611 4.410 15.322
224 1HZ LYS 33 HZ1 LYS 33 9.406 2.243 13.573
225 2HZ LYS 33 HZ2 LYS 33 8.198 2.290 14.664
226 H ASP 34 HN ASP 34 3.928 7.756 15.311
227 HA ASP 34 HA ASP 34 3.626 4.859 15.397
228 1HB ASP 34 1HB ASP 34 3.999 5.977 17.598
229 2HB ASP 34 2HB ASP 34 2.615 7.013 17.313
230 HD2 ASP 34 HD2 ASP 34 3.287 4.773 19.257
231 H ALA 35 HN ALA 35 1.848 8.037 15.384
232 HA ALA 35 HA ALA 35 -0.681 6.972 14.869
233 1HB ALA 35 1HB ALA 35 -0.457 9.571 13.716
234 2HB ALA 35 2HB ALA 35 -1.128 9.129 15.305
235 3HB ALA 35 3HB ALA 35 0.596 9.540 15.151
236 H PHE 36 HN PHE 36 2.162 7.365 12.870
237 HA PHE 36 HA PHE 36 0.954 7.674 10.384
238 1HB PHE 36 1HB PHE 36 3.517 6.455 11.514
239 2HB PHE 36 2HB PHE 36 3.210 6.325 9.794
240 HD1 PHE 36 HD1 PHE 36 3.650 8.761 12.548
241 HD2 PHE 36 HD2 PHE 36 3.624 8.142 8.349
242 HE1 PHE 36 HE1 PHE 36 4.605 11.056 12.204
243 HE2 PHE 36 HE2 PHE 36 4.579 10.437 8.005
244 HZ PHE 36 HZ PHE 36 5.058 11.867 9.937
245 H GLU 37 HN GLU 37 -0.003 6.277 8.933
246 HA GLU 37 HA GLU 37 0.022 3.466 9.711
247 1HB GLU 37 1HB GLU 37 -2.211 5.145 9.790
248 2HB GLU 37 2HB GLU 37 -2.392 4.334 8.247
249 1HG GLU 37 1HG GLU 37 -3.249 2.572 9.398
250 2HG GLU 37 2HG GLU 37 -1.620 2.254 9.961
251 HE2 GLU 37 HE2 GLU 37 -2.245 3.561 13.148
252 H LYS 38 HN LYS 38 0.027 1.927 7.963
253 HA LYS 38 HA LYS 38 1.243 2.978 5.589
254 1HB LYS 38 1HB LYS 38 1.850 0.827 6.875
255 2HB LYS 38 2HB LYS 38 0.461 0.106 6.088
256 1HG LYS 38 1HG LYS 38 1.417 0.221 3.957
257 2HG LYS 38 2HG LYS 38 2.385 1.630 4.345
258 1HD LYS 38 HD2 LYS 38 4.076 0.054 4.380
259 2HD LYS 38 HD3 LYS 38 3.564 -0.099 6.048
260 1HE LYS 38 2HE LYS 38 2.238 -2.064 5.569
261 2HE LYS 38 3HE LYS 38 2.338 -1.802 3.839
262 1HZ LYS 38 HZ1 LYS 38 4.955 -1.957 4.660
263 2HZ LYS 38 HZ2 LYS 38 4.220 -3.112 5.541
264 H GLN 39 HN GLN 39 -0.186 4.152 4.341
265 HA GLN 39 HA GLN 39 -2.195 2.575 3.052
266 1HB GLN 39 1HB GLN 39 -3.047 3.989 5.247
267 2HB GLN 39 2HB GLN 39 -3.276 5.190 3.992
268 1HG GLN 39 1HG GLN 39 -5.203 4.146 3.417
269 2HG GLN 39 2HG GLN 39 -4.254 2.783 2.860
270 1HE2 GLN 39 1HE2 GLN 39 -3.882 1.016 4.212
271 2HE2 GLN 39 2HE2 GLN 39 -4.870 0.670 5.592