Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
27456 | 2rmy RC | 11050 | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 H1 MET 1 1HT MET 1 -19.557 -4.251 -8.326
2 H2 MET 1 2HT MET 1 -19.751 -3.372 -9.759
3 H3 MET 1 3HT MET 1 -21.089 -4.108 -9.031
4 HA MET 1 HA MET 1 -19.489 -1.916 -7.846
5 HB2 MET 1 2HB MET 1 -21.460 -0.512 -8.275
6 HB3 MET 1 1HB MET 1 -20.777 -1.140 -9.769
7 HG2 MET 1 2HG MET 1 -22.517 -2.902 -9.766
8 HG3 MET 1 1HG MET 1 -23.232 -2.140 -8.347
9 HE1 MET 1 2HE MET 1 -22.772 0.949 -9.005
10 HE2 MET 1 3HE MET 1 -24.287 0.317 -8.363
11 HE3 MET 1 1HE MET 1 -24.299 1.357 -9.788
12 H ALA 2 H ALA 2 -20.679 -0.899 -6.016
13 HA ALA 2 HA ALA 2 -22.690 -2.429 -4.663
14 HB1 ALA 2 1HB ALA 2 -19.926 -2.358 -3.455
15 HB2 ALA 2 2HB ALA 2 -20.712 -3.779 -4.144
16 HB3 ALA 2 3HB ALA 2 -21.377 -3.017 -2.699
17 H GLU 3 H GLU 3 -22.222 -1.516 -2.062
18 HA GLU 3 HA GLU 3 -23.156 1.176 -2.292
19 HB2 GLU 3 2HB GLU 3 -24.005 -0.348 -0.565
20 HB3 GLU 3 1HB GLU 3 -22.404 -0.432 0.156
21 HG2 GLU 3 2HG GLU 3 -22.507 1.953 0.668
22 HG3 GLU 3 1HG GLU 3 -24.113 2.037 -0.055
23 H MET 4 H MET 4 -20.201 -0.340 -1.050
24 HA MET 4 HA MET 4 -18.210 0.546 -0.346
25 HB2 MET 4 2HB MET 4 -18.698 2.271 -2.777
26 HB3 MET 4 1HB MET 4 -17.140 1.995 -2.012
27 HG2 MET 4 2HG MET 4 -17.368 -0.416 -2.532
28 HG3 MET 4 1HG MET 4 -18.852 -0.046 -3.409
29 HE1 MET 4 3HE MET 4 -18.920 1.525 -5.587
30 HE2 MET 4 1HE MET 4 -17.483 2.282 -6.278
31 HE3 MET 4 2HE MET 4 -18.072 2.789 -4.694
32 H GLY 5 H GLY 5 -19.762 1.502 1.428
33 HA2 GLY 5 2HA GLY 5 -20.056 4.363 1.403
34 HA3 GLY 5 1HA GLY 5 -20.399 3.291 2.752
35 H SER 6 H SER 6 -19.127 3.498 4.460
36 HA SER 6 HA SER 6 -16.816 5.184 4.363
37 HB2 SER 6 2HB SER 6 -18.119 3.589 6.561
38 HB3 SER 6 1HB SER 6 -16.627 4.490 6.811
39 HG SER 6 HG SER 6 -18.108 5.965 7.305
40 H LYS 7 H LYS 7 -17.216 2.096 3.466
41 HA LYS 7 HA LYS 7 -14.839 0.933 4.607
42 HB2 LYS 7 2HB LYS 7 -16.639 -0.058 2.391
43 HB3 LYS 7 1HB LYS 7 -15.357 -0.990 3.151
44 HG2 LYS 7 2HG LYS 7 -17.745 0.113 4.613
45 HG3 LYS 7 1HG LYS 7 -17.630 -1.529 3.979
46 HD2 LYS 7 2HD LYS 7 -15.719 -1.976 5.406
47 HD3 LYS 7 1HD LYS 7 -15.742 -0.312 5.995
48 HE2 LYS 7 2HE LYS 7 -16.777 -1.834 7.601
49 HE3 LYS 7 1HE LYS 7 -17.948 -0.677 6.968
50 HZ1 LYS 7 3HZ LYS 7 -17.633 -3.490 6.067
51 HZ2 LYS 7 1HZ LYS 7 -18.756 -2.381 5.454
52 HZ3 LYS 7 2HZ LYS 7 -18.871 -2.903 7.059
53 H GLY 8 H GLY 8 -15.834 1.840 1.298
54 HA2 GLY 8 2HA GLY 8 -13.237 1.375 0.204
55 HA3 GLY 8 1HA GLY 8 -14.576 2.172 -0.603
56 H VAL 9 H VAL 9 -14.894 4.261 1.380
57 HA VAL 9 HA VAL 9 -12.987 6.098 0.336
58 HB VAL 9 HB VAL 9 -14.056 7.768 1.726
59 HG11 VAL 9 1HG1 VAL 9 -16.046 5.854 0.519
60 HG12 VAL 9 2HG1 VAL 9 -15.193 7.147 -0.323
61 HG13 VAL 9 3HG1 VAL 9 -16.370 7.537 0.931
62 HG21 VAL 9 3HG2 VAL 9 -15.863 7.158 3.286
63 HG22 VAL 9 1HG2 VAL 9 -14.298 6.513 3.781
64 HG23 VAL 9 2HG2 VAL 9 -15.487 5.454 3.023
65 H THR 10 H THR 10 -13.167 4.186 3.238
66 HA THR 10 HA THR 10 -11.051 5.709 4.535
67 HB THR 10 HB THR 10 -12.495 3.222 5.471
68 HG1 THR 10 1HG THR 10 -13.063 5.292 6.980
69 HG21 THR 10 3HG2 THR 10 -11.546 3.775 7.674
70 HG22 THR 10 1HG2 THR 10 -10.626 5.088 6.939
71 HG23 THR 10 2HG2 THR 10 -10.288 3.415 6.491
72 H ALA 11 H ALA 11 -11.532 2.245 3.777
73 HA ALA 11 HA ALA 11 -8.873 1.482 4.157
74 HB1 ALA 11 1HB ALA 11 -10.895 0.224 2.305
75 HB2 ALA 11 2HB ALA 11 -10.740 -0.104 4.030
76 HB3 ALA 11 3HB ALA 11 -9.434 -0.541 2.928
77 H GLY 12 H GLY 12 -10.401 3.061 1.468
78 HA2 GLY 12 2HA GLY 12 -8.454 2.423 -0.504
79 HA3 GLY 12 1HA GLY 12 -9.593 3.761 -0.572
80 H LYS 13 H LYS 13 -8.677 4.867 1.978
81 HA LYS 13 HA LYS 13 -6.643 6.568 0.997
82 HB2 LYS 13 2HB LYS 13 -7.980 7.640 2.526
83 HB3 LYS 13 1HB LYS 13 -8.135 6.224 3.550
84 HG2 LYS 13 2HG LYS 13 -5.465 7.482 3.395
85 HG3 LYS 13 1HG LYS 13 -6.739 8.357 4.243
86 HD2 LYS 13 2HD LYS 13 -7.037 5.799 5.185
87 HD3 LYS 13 1HD LYS 13 -5.286 5.953 5.027
88 HE2 LYS 13 2HE LYS 13 -5.329 7.977 6.373
89 HE3 LYS 13 1HE LYS 13 -7.086 7.883 6.482
90 HZ1 LYS 13 3HZ LYS 13 -6.036 7.027 8.478
91 HZ2 LYS 13 1HZ LYS 13 -5.175 5.885 7.572
92 HZ3 LYS 13 2HZ LYS 13 -6.861 5.790 7.673
93 H ILE 14 H ILE 14 -6.647 3.764 3.136
94 HA ILE 14 HA ILE 14 -3.964 4.015 3.999
95 HB ILE 14 HB ILE 14 -5.799 1.624 3.885
96 HG12 ILE 14 2HG1 ILE 14 -5.454 2.000 6.464
97 HG13 ILE 14 1HG1 ILE 14 -4.990 3.624 5.963
98 HG21 ILE 14 1HG2 ILE 14 -4.148 0.497 5.356
99 HG22 ILE 14 2HG2 ILE 14 -3.018 1.811 5.031
100 HG23 ILE 14 3HG2 ILE 14 -3.559 0.768 3.716
101 HD11 ILE 14 3HD1 ILE 14 -7.613 2.285 5.352
102 HD12 ILE 14 1HD1 ILE 14 -7.148 3.925 4.897
103 HD13 ILE 14 2HD1 ILE 14 -7.334 3.502 6.599
104 H ALA 15 H ALA 15 -5.467 2.287 1.293
105 HA ALA 15 HA ALA 15 -3.250 0.866 0.395
106 HB1 ALA 15 1HB ALA 15 -5.517 0.535 -0.478
107 HB2 ALA 15 2HB ALA 15 -4.351 0.791 -1.776
108 HB3 ALA 15 3HB ALA 15 -5.428 2.100 -1.287
109 H SER 16 H SER 16 -4.356 4.084 -0.601
110 HA SER 16 HA SER 16 -2.210 4.639 -2.322
111 HB2 SER 16 2HB SER 16 -4.282 5.927 -2.404
112 HB3 SER 16 1HB SER 16 -3.985 6.548 -0.781
113 HG SER 16 HG SER 16 -2.181 7.638 -1.569
114 H ASN 17 H ASN 17 -2.609 5.053 1.138
115 HA ASN 17 HA ASN 17 -0.362 6.735 1.540
116 HB2 ASN 17 2HB ASN 17 -2.122 5.091 3.304
117 HB3 ASN 17 1HB ASN 17 -0.638 5.765 3.964
118 HD21 ASN 17 1HD2 ASN 17 -2.444 7.358 1.454
119 HD22 ASN 17 2HD2 ASN 17 -3.022 8.665 2.424
120 H VAL 18 H VAL 18 -0.813 3.222 1.972
121 HA VAL 18 HA VAL 18 1.827 2.713 2.813
122 HB VAL 18 HB VAL 18 1.391 0.372 2.272
123 HG11 VAL 18 1HG1 VAL 18 -0.553 0.027 3.712
124 HG12 VAL 18 2HG1 VAL 18 -0.977 1.730 3.546
125 HG13 VAL 18 3HG1 VAL 18 0.517 1.269 4.360
126 HG21 VAL 18 3HG2 VAL 18 -0.701 -0.331 1.253
127 HG22 VAL 18 1HG2 VAL 18 0.205 0.712 0.158
128 HG23 VAL 18 2HG2 VAL 18 -1.177 1.353 1.045
129 H GLN 19 H GLN 19 0.333 3.027 -0.324
130 HA GLN 19 HA GLN 19 2.263 1.913 -1.968
131 HB2 GLN 19 2HB GLN 19 -0.083 3.136 -2.405
132 HB3 GLN 19 1HB GLN 19 0.998 4.454 -2.841
133 HG2 GLN 19 2HG GLN 19 2.097 3.036 -4.476
134 HG3 GLN 19 1HG GLN 19 1.059 1.688 -4.013
135 HE21 GLN 19 1HE2 GLN 19 1.235 4.743 -5.658
136 HE22 GLN 19 2HE2 GLN 19 -0.277 4.616 -6.485
137 H LYS 20 H LYS 20 2.110 5.111 -0.490
138 HA LYS 20 HA LYS 20 4.283 6.288 -1.820
139 HB2 LYS 20 2HB LYS 20 3.793 6.952 1.049
140 HB3 LYS 20 1HB LYS 20 4.126 8.021 -0.302
141 HG2 LYS 20 2HG LYS 20 1.519 6.613 0.227
142 HG3 LYS 20 1HG LYS 20 1.865 8.310 0.549
143 HD2 LYS 20 2HD LYS 20 1.967 7.018 -2.175
144 HD3 LYS 20 1HD LYS 20 0.601 7.942 -1.548
145 HE2 LYS 20 2HE LYS 20 3.403 8.991 -1.955
146 HE3 LYS 20 1HE LYS 20 2.028 9.298 -3.014
147 HZ1 LYS 20 3HZ LYS 20 0.912 10.416 -1.187
148 HZ2 LYS 20 1HZ LYS 20 2.409 11.139 -1.501
149 HZ3 LYS 20 2HZ LYS 20 2.227 10.117 -0.166
150 H LYS 21 H LYS 21 4.081 4.288 1.062
151 HA LYS 21 HA LYS 21 6.771 4.574 1.869
152 HB2 LYS 21 2HB LYS 21 5.712 3.678 3.628
153 HB3 LYS 21 1HB LYS 21 4.456 2.968 2.630
154 HG2 LYS 21 2HG LYS 21 7.127 1.668 2.628
155 HG3 LYS 21 1HG LYS 21 6.114 1.497 4.063
156 HD2 LYS 21 2HD LYS 21 4.942 1.006 1.361
157 HD3 LYS 21 1HD LYS 21 5.934 -0.242 2.122
158 HE2 LYS 21 2HE LYS 21 3.507 1.056 3.359
159 HE3 LYS 21 1HE LYS 21 3.523 -0.523 2.573
160 HZ1 LYS 21 3HZ LYS 21 5.080 -1.307 4.229
161 HZ2 LYS 21 1HZ LYS 21 3.693 -0.701 4.986
162 HZ3 LYS 21 2HZ LYS 21 5.116 0.214 4.969
163 H LEU 22 H LEU 22 5.189 2.459 -0.425
164 HA LEU 22 HA LEU 22 7.411 0.688 -0.729
165 HB2 LEU 22 2HB LEU 22 5.009 1.198 -2.479
166 HB3 LEU 22 1HB LEU 22 6.196 -0.057 -2.785
167 HG LEU 22 HG LEU 22 4.452 0.130 -0.334
168 HD11 LEU 22 1HD1 LEU 22 4.309 -1.730 -2.702
169 HD12 LEU 22 2HD1 LEU 22 3.175 -0.430 -2.335
170 HD13 LEU 22 3HD1 LEU 22 3.306 -1.818 -1.254
171 HD21 LEU 22 3HD2 LEU 22 6.290 -2.090 -1.221
172 HD22 LEU 22 1HD2 LEU 22 5.333 -2.028 0.259
173 HD23 LEU 22 2HD2 LEU 22 6.679 -0.910 0.030
174 H THR 23 H THR 23 6.233 3.547 -2.421
175 HA THR 23 HA THR 23 8.142 3.445 -4.515
176 HB THR 23 HB THR 23 5.919 4.960 -4.107
177 HG1 THR 23 1HG THR 23 7.779 4.665 -5.965
178 HG21 THR 23 3HG2 THR 23 6.548 7.294 -3.926
179 HG22 THR 23 1HG2 THR 23 8.250 6.853 -3.771
180 HG23 THR 23 2HG2 THR 23 7.108 6.424 -2.497
181 H ARG 24 H ARG 24 8.133 4.798 -1.276
182 HA ARG 24 HA ARG 24 10.507 6.330 -1.542
183 HB2 ARG 24 2HB ARG 24 9.057 5.205 0.845
184 HB3 ARG 24 1HB ARG 24 10.534 6.148 0.998
185 HG2 ARG 24 2HG ARG 24 9.482 8.055 -0.023
186 HG3 ARG 24 1HG ARG 24 8.021 7.118 -0.343
187 HD2 ARG 24 2HD ARG 24 7.661 8.476 1.599
188 HD3 ARG 24 1HD ARG 24 7.756 6.787 2.090
189 HE ARG 24 HE ARG 24 10.219 8.309 2.269
190 HH11 ARG 24 1HH1 ARG 24 7.399 7.077 3.903
191 HH12 ARG 24 2HH1 ARG 24 8.092 7.226 5.483
192 HH21 ARG 24 1HH2 ARG 24 11.138 8.510 4.344
193 HH22 ARG 24 2HH2 ARG 24 10.217 8.040 5.735
194 H ALA 25 H ALA 25 9.795 3.028 -0.621
195 HA ALA 25 HA ALA 25 12.301 2.245 0.330
196 HB1 ALA 25 1HB ALA 25 10.270 0.572 -1.157
197 HB2 ALA 25 2HB ALA 25 10.264 0.891 0.577
198 HB3 ALA 25 3HB ALA 25 11.579 -0.038 -0.144
199 H GLN 26 H GLN 26 10.974 2.347 -2.936
200 HA GLN 26 HA GLN 26 13.083 1.074 -4.272
201 HB2 GLN 26 2HB GLN 26 11.002 3.067 -5.142
202 HB3 GLN 26 1HB GLN 26 12.224 2.468 -6.261
203 HG2 GLN 26 2HG GLN 26 11.472 0.171 -5.823
204 HG3 GLN 26 1HG GLN 26 10.211 0.806 -4.764
205 HE21 GLN 26 1HE2 GLN 26 8.467 1.909 -5.659
206 HE22 GLN 26 2HE2 GLN 26 8.080 1.808 -7.340
207 H GLU 27 H GLU 27 12.503 4.545 -3.703
208 HA GLU 27 HA GLU 27 14.883 5.373 -4.982
209 HB2 GLU 27 2HB GLU 27 13.326 6.827 -2.841
210 HB3 GLU 27 1HB GLU 27 14.504 7.535 -3.939
211 HG2 GLU 27 2HG GLU 27 11.856 6.325 -4.701
212 HG3 GLU 27 1HG GLU 27 12.260 8.041 -4.667
213 H LYS 28 H LYS 28 14.178 4.258 -1.757
214 HA LYS 28 HA LYS 28 16.574 5.236 -0.564
215 HB2 LYS 28 2HB LYS 28 14.512 4.713 0.709
216 HB3 LYS 28 1HB LYS 28 14.789 3.004 0.395
217 HG2 LYS 28 2HG LYS 28 16.863 3.072 1.623
218 HG3 LYS 28 1HG LYS 28 16.696 4.813 1.860
219 HD2 LYS 28 2HD LYS 28 14.635 4.429 3.137
220 HD3 LYS 28 1HD LYS 28 14.832 2.689 2.920
221 HE2 LYS 28 2HE LYS 28 15.629 3.358 5.111
222 HE3 LYS 28 1HE LYS 28 16.972 2.793 4.118
223 HZ1 LYS 28 3HZ LYS 28 17.528 5.110 3.646
224 HZ2 LYS 28 1HZ LYS 28 17.572 4.793 5.307
225 HZ3 LYS 28 2HZ LYS 28 16.263 5.631 4.641
226 H VAL 29 H VAL 29 15.643 2.106 -1.978
227 HA VAL 29 HA VAL 29 17.903 0.674 -1.149
228 HB VAL 29 HB VAL 29 17.495 -0.849 -3.053
229 HG11 VAL 29 1HG1 VAL 29 15.099 -0.023 -1.425
230 HG12 VAL 29 2HG1 VAL 29 16.295 -1.255 -1.025
231 HG13 VAL 29 3HG1 VAL 29 15.184 -1.507 -2.372
232 HG21 VAL 29 3HG2 VAL 29 15.826 -0.498 -4.659
233 HG22 VAL 29 1HG2 VAL 29 16.709 1.027 -4.581
234 HG23 VAL 29 2HG2 VAL 29 15.145 0.869 -3.780
235 H LEU 30 H LEU 30 17.431 2.924 -3.777
236 HA LEU 30 HA LEU 30 19.671 2.343 -5.330
237 HB2 LEU 30 2HB LEU 30 18.549 5.093 -4.779
238 HB3 LEU 30 1HB LEU 30 19.505 4.612 -6.167
239 HG LEU 30 HG LEU 30 16.806 3.422 -5.584
240 HD11 LEU 30 1HD1 LEU 30 15.948 4.990 -7.310
241 HD12 LEU 30 2HD1 LEU 30 17.489 5.846 -7.236
242 HD13 LEU 30 3HD1 LEU 30 16.447 5.784 -5.814
243 HD21 LEU 30 3HD2 LEU 30 18.487 3.575 -8.081
244 HD22 LEU 30 1HD2 LEU 30 16.879 2.860 -7.966
245 HD23 LEU 30 2HD2 LEU 30 18.228 2.143 -7.085
246 H GLN 31 H GLN 31 19.345 4.016 -2.293
247 HA GLN 31 HA GLN 31 21.879 5.274 -2.233
248 HB2 GLN 31 2HB GLN 31 20.043 4.378 0.001
249 HB3 GLN 31 1HB GLN 31 21.489 5.349 0.246
250 HG2 GLN 31 2HG GLN 31 20.574 7.179 -0.939
251 HG3 GLN 31 1HG GLN 31 19.240 6.203 -1.550
252 HE21 GLN 31 1HE2 GLN 31 20.368 5.984 1.740
253 HE22 GLN 31 2HE2 GLN 31 18.985 6.713 2.471
254 H LYS 32 H LYS 32 20.765 2.058 -1.540
255 HA LYS 32 HA LYS 32 23.132 1.205 -0.160
256 HB2 LYS 32 2HB LYS 32 20.954 -0.444 -1.459
257 HB3 LYS 32 1HB LYS 32 22.153 -1.031 -0.315
258 HG2 LYS 32 2HG LYS 32 21.192 0.175 1.466
259 HG3 LYS 32 1HG LYS 32 20.197 1.140 0.374
260 HD2 LYS 32 2HD LYS 32 18.890 -0.810 -0.215
261 HD3 LYS 32 1HD LYS 32 19.932 -1.839 0.771
262 HE2 LYS 32 2HE LYS 32 18.214 0.420 1.790
263 HE3 LYS 32 1HE LYS 32 17.834 -1.297 1.917
264 HZ1 LYS 32 3HZ LYS 32 18.792 -0.434 3.965
265 HZ2 LYS 32 1HZ LYS 32 20.190 0.040 3.138
266 HZ3 LYS 32 2HZ LYS 32 19.803 -1.601 3.276
267 H LEU 33 H LEU 33 21.835 0.867 -3.434
268 HA LEU 33 HA LEU 33 24.099 -0.655 -4.365
269 HB2 LEU 33 2HB LEU 33 22.134 0.716 -6.164
270 HB3 LEU 33 1HB LEU 33 22.989 -0.793 -6.417
271 HG LEU 33 HG LEU 33 20.725 -0.365 -4.471
272 HD11 LEU 33 1HD1 LEU 33 19.961 -0.277 -6.769
273 HD12 LEU 33 2HD1 LEU 33 19.439 -1.777 -6.004
274 HD13 LEU 33 3HD1 LEU 33 20.799 -1.787 -7.126
275 HD21 LEU 33 3HD2 LEU 33 22.309 -2.068 -3.711
276 HD22 LEU 33 1HD2 LEU 33 22.173 -2.889 -5.266
277 HD23 LEU 33 2HD2 LEU 33 20.775 -2.789 -4.197
278 H TYR 34 H TYR 34 22.735 2.397 -5.574
279 HA TYR 34 HA TYR 34 25.231 3.220 -6.697
280 HB2 TYR 34 2HB TYR 34 22.721 4.852 -6.262
281 HB3 TYR 34 1HB TYR 34 24.044 5.236 -7.358
282 HD1 TYR 34 2HD TYR 34 24.326 4.005 -9.448
283 HD2 TYR 34 1HD TYR 34 21.076 3.163 -6.828
284 HE1 TYR 34 2HE TYR 34 23.204 2.765 -11.249
285 HE2 TYR 34 1HE TYR 34 19.948 1.920 -8.625
286 HH TYR 34 HH TYR 34 19.945 1.794 -11.059
Start of MODEL 2
1 H1 MET 1 1HT MET 1 -8.898 -10.736 0.718
2 H2 MET 1 2HT MET 1 -10.394 -10.052 1.113
3 H3 MET 1 3HT MET 1 -9.584 -9.561 -0.289
4 HA MET 1 HA MET 1 -9.852 -11.711 -1.278
5 HB2 MET 1 2HB MET 1 -11.267 -12.374 1.310
6 HB3 MET 1 1HB MET 1 -11.274 -13.398 -0.119
7 HG2 MET 1 2HG MET 1 -8.852 -13.638 0.036
8 HG3 MET 1 1HG MET 1 -8.838 -12.605 1.463
9 HE1 MET 1 2HE MET 1 -7.547 -15.560 1.344
10 HE2 MET 1 3HE MET 1 -8.045 -16.161 2.925
11 HE3 MET 1 1HE MET 1 -7.484 -14.497 2.751
12 H ALA 2 H ALA 2 -11.391 -11.684 -2.789
13 HA ALA 2 HA ALA 2 -13.206 -10.989 -3.972
14 HB1 ALA 2 1HB ALA 2 -14.599 -11.364 -1.326
15 HB2 ALA 2 2HB ALA 2 -14.301 -12.622 -2.525
16 HB3 ALA 2 3HB ALA 2 -15.373 -11.275 -2.907
17 H GLU 3 H GLU 3 -12.376 -8.895 -4.303
18 HA GLU 3 HA GLU 3 -12.285 -6.613 -4.183
19 HB2 GLU 3 2HB GLU 3 -15.201 -7.019 -3.512
20 HB3 GLU 3 1HB GLU 3 -14.482 -5.547 -4.154
21 HG2 GLU 3 2HG GLU 3 -13.895 -6.697 -6.200
22 HG3 GLU 3 1HG GLU 3 -14.535 -8.206 -5.554
23 H MET 4 H MET 4 -11.731 -8.021 -1.675
24 HA MET 4 HA MET 4 -11.489 -7.649 0.571
25 HB2 MET 4 2HB MET 4 -11.445 -4.756 -0.307
26 HB3 MET 4 1HB MET 4 -10.705 -5.430 1.139
27 HG2 MET 4 2HG MET 4 -9.203 -6.764 -0.287
28 HG3 MET 4 1HG MET 4 -9.909 -5.994 -1.707
29 HE1 MET 4 3HE MET 4 -7.420 -5.219 -2.493
30 HE2 MET 4 1HE MET 4 -6.821 -6.082 -1.077
31 HE3 MET 4 2HE MET 4 -6.297 -4.428 -1.388
32 H GLY 5 H GLY 5 -12.300 -5.270 2.056
33 HA2 GLY 5 2HA GLY 5 -15.159 -5.025 1.770
34 HA3 GLY 5 1HA GLY 5 -14.671 -6.009 3.139
35 H SER 6 H SER 6 -15.241 -2.892 2.016
36 HA SER 6 HA SER 6 -15.232 -0.860 3.015
37 HB2 SER 6 2HB SER 6 -16.067 -2.069 5.015
38 HB3 SER 6 1HB SER 6 -14.398 -2.329 5.522
39 HG SER 6 HG SER 6 -15.941 -0.197 5.932
40 H LYS 7 H LYS 7 -12.604 -2.716 2.528
41 HA LYS 7 HA LYS 7 -10.598 -0.952 3.633
42 HB2 LYS 7 2HB LYS 7 -10.299 -3.280 1.724
43 HB3 LYS 7 1HB LYS 7 -8.990 -2.460 2.562
44 HG2 LYS 7 2HG LYS 7 -11.221 -3.943 3.935
45 HG3 LYS 7 1HG LYS 7 -9.633 -4.624 3.577
46 HD2 LYS 7 2HD LYS 7 -8.566 -2.964 4.978
47 HD3 LYS 7 1HD LYS 7 -10.114 -2.171 5.266
48 HE2 LYS 7 2HE LYS 7 -9.433 -3.587 7.154
49 HE3 LYS 7 1HE LYS 7 -10.940 -4.135 6.419
50 HZ1 LYS 7 3HZ LYS 7 -8.250 -5.310 5.961
51 HZ2 LYS 7 1HZ LYS 7 -9.680 -5.824 5.215
52 HZ3 LYS 7 2HZ LYS 7 -9.490 -5.993 6.887
53 H GLY 8 H GLY 8 -12.138 -1.606 0.558
54 HA2 GLY 8 2HA GLY 8 -10.353 -0.004 -1.004
55 HA3 GLY 8 1HA GLY 8 -11.934 -0.587 -1.504
56 H VAL 9 H VAL 9 -13.551 0.574 0.416
57 HA VAL 9 HA VAL 9 -13.735 3.235 -0.608
58 HB VAL 9 HB VAL 9 -15.722 3.433 0.842
59 HG11 VAL 9 1HG1 VAL 9 -15.559 0.893 -0.771
60 HG12 VAL 9 2HG1 VAL 9 -15.944 2.500 -1.386
61 HG13 VAL 9 3HG1 VAL 9 -17.050 1.692 -0.275
62 HG21 VAL 9 3HG2 VAL 9 -14.976 0.647 1.729
63 HG22 VAL 9 1HG2 VAL 9 -16.491 1.470 2.104
64 HG23 VAL 9 2HG2 VAL 9 -14.967 2.100 2.730
65 H THR 10 H THR 10 -12.855 1.843 2.535
66 HA THR 10 HA THR 10 -12.433 4.535 3.605
67 HB THR 10 HB THR 10 -12.280 1.865 5.014
68 HG1 THR 10 1HG THR 10 -14.268 3.671 5.665
69 HG21 THR 10 3HG2 THR 10 -10.893 3.560 6.101
70 HG22 THR 10 1HG2 THR 10 -12.320 3.201 7.075
71 HG23 THR 10 2HG2 THR 10 -12.257 4.678 6.115
72 H ALA 11 H ALA 11 -10.598 1.468 3.798
73 HA ALA 11 HA ALA 11 -8.151 2.727 4.407
74 HB1 ALA 11 1HB ALA 11 -7.124 0.564 4.015
75 HB2 ALA 11 2HB ALA 11 -8.584 -0.003 3.205
76 HB3 ALA 11 3HB ALA 11 -8.623 0.377 4.926
77 H GLY 12 H GLY 12 -9.833 2.902 1.591
78 HA2 GLY 12 2HA GLY 12 -7.822 2.511 -0.368
79 HA3 GLY 12 1HA GLY 12 -9.307 3.423 -0.583
80 H LYS 13 H LYS 13 -8.973 5.447 1.284
81 HA LYS 13 HA LYS 13 -7.259 7.197 -0.138
82 HB2 LYS 13 2HB LYS 13 -7.788 8.819 1.689
83 HB3 LYS 13 1HB LYS 13 -9.201 8.109 0.922
84 HG2 LYS 13 2HG LYS 13 -9.844 7.919 3.081
85 HG3 LYS 13 1HG LYS 13 -8.965 6.398 2.933
86 HD2 LYS 13 2HD LYS 13 -8.277 7.445 4.965
87 HD3 LYS 13 1HD LYS 13 -6.944 7.572 3.817
88 HE2 LYS 13 2HE LYS 13 -7.597 9.871 3.308
89 HE3 LYS 13 1HE LYS 13 -8.946 9.742 4.435
90 HZ1 LYS 13 3HZ LYS 13 -6.070 9.529 5.152
91 HZ2 LYS 13 1HZ LYS 13 -7.366 9.410 6.233
92 HZ3 LYS 13 2HZ LYS 13 -7.061 10.870 5.436
93 H ILE 14 H ILE 14 -6.871 5.284 2.763
94 HA ILE 14 HA ILE 14 -4.504 6.524 3.718
95 HB ILE 14 HB ILE 14 -5.533 3.709 4.125
96 HG12 ILE 14 2HG1 ILE 14 -7.041 5.396 5.013
97 HG13 ILE 14 1HG1 ILE 14 -6.227 4.578 6.341
98 HG21 ILE 14 1HG2 ILE 14 -3.153 3.745 4.523
99 HG22 ILE 14 2HG2 ILE 14 -4.003 3.638 6.064
100 HG23 ILE 14 3HG2 ILE 14 -3.312 5.176 5.542
101 HD11 ILE 14 3HD1 ILE 14 -5.475 7.264 5.222
102 HD12 ILE 14 1HD1 ILE 14 -4.712 6.454 6.589
103 HD13 ILE 14 2HD1 ILE 14 -6.390 6.984 6.705
104 H ALA 15 H ALA 15 -5.134 3.852 1.523
105 HA ALA 15 HA ALA 15 -2.578 2.830 1.211
106 HB1 ALA 15 1HB ALA 15 -3.317 1.983 -0.941
107 HB2 ALA 15 2HB ALA 15 -4.680 3.102 -0.934
108 HB3 ALA 15 3HB ALA 15 -4.597 1.805 0.258
109 H SER 16 H SER 16 -4.141 5.397 -0.676
110 HA SER 16 HA SER 16 -1.964 5.993 -2.331
111 HB2 SER 16 2HB SER 16 -4.235 6.802 -2.788
112 HB3 SER 16 1HB SER 16 -4.161 7.841 -1.366
113 HG SER 16 HG SER 16 -3.150 8.237 -3.862
114 H ASN 17 H ASN 17 -2.774 7.055 0.908
115 HA ASN 17 HA ASN 17 -0.874 9.165 1.045
116 HB2 ASN 17 2HB ASN 17 -2.723 7.802 2.889
117 HB3 ASN 17 1HB ASN 17 -1.300 8.500 3.650
118 HD21 ASN 17 1HD2 ASN 17 -4.207 9.139 1.868
119 HD22 ASN 17 2HD2 ASN 17 -4.251 10.843 2.151
120 H VAL 18 H VAL 18 -0.815 5.791 2.206
121 HA VAL 18 HA VAL 18 1.738 5.969 3.400
122 HB VAL 18 HB VAL 18 1.758 3.524 3.375
123 HG11 VAL 18 1HG1 VAL 18 0.537 4.651 5.136
124 HG12 VAL 18 2HG1 VAL 18 -0.288 3.159 4.689
125 HG13 VAL 18 3HG1 VAL 18 -0.907 4.712 4.127
126 HG21 VAL 18 3HG2 VAL 18 -0.021 2.235 2.382
127 HG22 VAL 18 1HG2 VAL 18 0.757 3.219 1.142
128 HG23 VAL 18 2HG2 VAL 18 -0.803 3.705 1.805
129 H GLN 19 H GLN 19 0.686 5.391 0.116
130 HA GLN 19 HA GLN 19 2.986 4.287 -0.992
131 HB2 GLN 19 2HB GLN 19 0.973 6.217 -2.142
132 HB3 GLN 19 1HB GLN 19 2.251 5.489 -3.098
133 HG2 GLN 19 2HG GLN 19 0.290 3.828 -1.561
134 HG3 GLN 19 1HG GLN 19 -0.041 4.403 -3.194
135 HE21 GLN 19 1HE2 GLN 19 0.266 1.684 -2.192
136 HE22 GLN 19 2HE2 GLN 19 1.548 0.977 -3.109
137 H LYS 20 H LYS 20 2.136 7.677 -0.407
138 HA LYS 20 HA LYS 20 4.347 8.870 -1.615
139 HB2 LYS 20 2HB LYS 20 3.350 10.061 0.928
140 HB3 LYS 20 1HB LYS 20 3.693 10.836 -0.608
141 HG2 LYS 20 2HG LYS 20 1.268 9.174 0.045
142 HG3 LYS 20 1HG LYS 20 1.330 10.929 -0.100
143 HD2 LYS 20 2HD LYS 20 1.957 8.995 -2.328
144 HD3 LYS 20 1HD LYS 20 0.404 9.801 -2.100
145 HE2 LYS 20 2HE LYS 20 1.478 11.972 -2.358
146 HE3 LYS 20 1HE LYS 20 3.048 11.190 -2.533
147 HZ1 LYS 20 3HZ LYS 20 0.744 10.865 -4.377
148 HZ2 LYS 20 1HZ LYS 20 2.254 10.120 -4.547
149 HZ3 LYS 20 2HZ LYS 20 2.120 11.801 -4.675
150 H LYS 21 H LYS 21 3.873 7.648 1.648
151 HA LYS 21 HA LYS 21 6.446 8.354 2.630
152 HB2 LYS 21 2HB LYS 21 4.194 6.617 3.551
153 HB3 LYS 21 1HB LYS 21 5.750 6.481 4.346
154 HG2 LYS 21 2HG LYS 21 4.525 7.995 5.642
155 HG3 LYS 21 1HG LYS 21 5.625 8.994 4.691
156 HD2 LYS 21 2HD LYS 21 3.868 9.561 3.153
157 HD3 LYS 21 1HD LYS 21 2.763 8.424 3.930
158 HE2 LYS 21 2HE LYS 21 2.908 9.754 6.004
159 HE3 LYS 21 1HE LYS 21 3.938 10.913 5.164
160 HZ1 LYS 21 3HZ LYS 21 1.635 11.644 5.229
161 HZ2 LYS 21 1HZ LYS 21 1.141 10.241 4.422
162 HZ3 LYS 21 2HZ LYS 21 2.128 11.367 3.636
163 H LEU 22 H LEU 22 5.129 5.635 0.939
164 HA LEU 22 HA LEU 22 7.332 3.871 1.470
165 HB2 LEU 22 2HB LEU 22 5.333 2.729 1.271
166 HB3 LEU 22 1HB LEU 22 4.763 3.740 -0.040
167 HG LEU 22 HG LEU 22 6.396 2.631 -1.543
168 HD11 LEU 22 1HD1 LEU 22 6.783 0.761 0.793
169 HD12 LEU 22 2HD1 LEU 22 7.989 1.882 0.163
170 HD13 LEU 22 3HD1 LEU 22 7.429 0.539 -0.834
171 HD21 LEU 22 3HD2 LEU 22 5.126 0.558 -1.764
172 HD22 LEU 22 1HD2 LEU 22 4.064 1.935 -1.470
173 HD23 LEU 22 2HD2 LEU 22 4.432 0.810 -0.162
174 H THR 23 H THR 23 6.551 6.280 -0.877
175 HA THR 23 HA THR 23 8.030 5.230 -3.049
176 HB THR 23 HB THR 23 6.342 7.252 -2.985
177 HG1 THR 23 1HG THR 23 7.058 7.691 -5.009
178 HG21 THR 23 3HG2 THR 23 7.802 8.617 -1.484
179 HG22 THR 23 1HG2 THR 23 7.378 9.421 -2.995
180 HG23 THR 23 2HG2 THR 23 8.978 8.708 -2.793
181 H ARG 24 H ARG 24 8.890 7.099 -0.213
182 HA ARG 24 HA ARG 24 11.513 7.795 -1.031
183 HB2 ARG 24 2HB ARG 24 10.045 7.694 1.564
184 HB3 ARG 24 1HB ARG 24 11.801 7.763 1.618
185 HG2 ARG 24 2HG ARG 24 11.028 9.983 1.778
186 HG3 ARG 24 1HG ARG 24 11.660 9.789 0.143
187 HD2 ARG 24 2HD ARG 24 9.270 9.286 -0.553
188 HD3 ARG 24 1HD ARG 24 8.793 9.887 1.034
189 HE ARG 24 HE ARG 24 10.437 11.805 -0.150
190 HH11 ARG 24 1HH1 ARG 24 7.301 10.366 -0.640
191 HH12 ARG 24 2HH1 ARG 24 6.638 11.764 -1.417
192 HH21 ARG 24 1HH2 ARG 24 9.571 13.649 -1.173
193 HH22 ARG 24 2HH2 ARG 24 7.928 13.630 -1.720
194 H ALA 25 H ALA 25 10.193 5.148 0.910
195 HA ALA 25 HA ALA 25 12.624 3.820 1.411
196 HB1 ALA 25 1HB ALA 25 9.860 2.628 1.193
197 HB2 ALA 25 2HB ALA 25 10.550 3.355 2.644
198 HB3 ALA 25 3HB ALA 25 11.258 1.886 1.971
199 H GLN 26 H GLN 26 10.344 3.686 -1.252
200 HA GLN 26 HA GLN 26 11.335 1.435 -2.583
201 HB2 GLN 26 2HB GLN 26 9.854 3.885 -3.501
202 HB3 GLN 26 1HB GLN 26 10.388 2.670 -4.656
203 HG2 GLN 26 2HG GLN 26 9.108 0.971 -3.461
204 HG3 GLN 26 1HG GLN 26 8.569 2.187 -2.308
205 HE21 GLN 26 1HE2 GLN 26 7.066 3.727 -2.945
206 HE22 GLN 26 2HE2 GLN 26 6.118 3.552 -4.378
207 H GLU 27 H GLU 27 12.192 4.866 -2.918
208 HA GLU 27 HA GLU 27 14.138 4.424 -4.921
209 HB2 GLU 27 2HB GLU 27 13.958 6.720 -2.967
210 HB3 GLU 27 1HB GLU 27 14.907 6.687 -4.448
211 HG2 GLU 27 2HG GLU 27 12.850 6.476 -5.757
212 HG3 GLU 27 1HG GLU 27 11.907 6.546 -4.270
213 H LYS 28 H LYS 28 14.211 4.239 -1.433
214 HA LYS 28 HA LYS 28 17.051 4.331 -1.191
215 HB2 LYS 28 2HB LYS 28 15.570 4.905 0.677
216 HB3 LYS 28 1HB LYS 28 15.004 3.239 0.738
217 HG2 LYS 28 2HG LYS 28 17.168 2.456 1.378
218 HG3 LYS 28 1HG LYS 28 17.873 4.053 1.125
219 HD2 LYS 28 2HD LYS 28 17.567 3.778 3.472
220 HD3 LYS 28 1HD LYS 28 16.333 4.909 2.913
221 HE2 LYS 28 2HE LYS 28 14.678 3.135 2.897
222 HE3 LYS 28 1HE LYS 28 15.903 1.957 3.364
223 HZ1 LYS 28 3HZ LYS 28 14.592 2.647 5.261
224 HZ2 LYS 28 1HZ LYS 28 15.006 4.268 5.001
225 HZ3 LYS 28 2HZ LYS 28 16.195 3.152 5.449
226 H VAL 29 H VAL 29 14.700 1.666 -1.359
227 HA VAL 29 HA VAL 29 16.490 -0.410 -0.799
228 HB VAL 29 HB VAL 29 14.946 -1.913 -2.002
229 HG11 VAL 29 1HG1 VAL 29 13.605 0.087 -0.183
230 HG12 VAL 29 2HG1 VAL 29 14.512 -1.340 0.320
231 HG13 VAL 29 3HG1 VAL 29 12.995 -1.525 -0.561
232 HG21 VAL 29 3HG2 VAL 29 13.025 -1.157 -3.136
233 HG22 VAL 29 1HG2 VAL 29 14.363 -0.194 -3.764
234 HG23 VAL 29 2HG2 VAL 29 13.255 0.500 -2.581
235 H LEU 30 H LEU 30 15.895 1.393 -3.727
236 HA LEU 30 HA LEU 30 17.100 -0.287 -5.595
237 HB2 LEU 30 2HB LEU 30 17.221 2.733 -5.539
238 HB3 LEU 30 1HB LEU 30 17.453 1.713 -6.945
239 HG LEU 30 HG LEU 30 14.861 1.821 -5.415
240 HD11 LEU 30 1HD1 LEU 30 15.348 4.051 -6.256
241 HD12 LEU 30 2HD1 LEU 30 14.049 3.307 -7.190
242 HD13 LEU 30 3HD1 LEU 30 15.678 3.388 -7.859
243 HD21 LEU 30 3HD2 LEU 30 13.949 0.876 -7.485
244 HD22 LEU 30 1HD2 LEU 30 15.180 -0.168 -6.775
245 HD23 LEU 30 2HD2 LEU 30 15.572 0.832 -8.174
246 H GLN 31 H GLN 31 18.470 1.915 -3.238
247 HA GLN 31 HA GLN 31 21.111 1.987 -4.213
248 HB2 GLN 31 2HB GLN 31 19.979 2.359 -1.436
249 HB3 GLN 31 1HB GLN 31 21.683 2.579 -1.812
250 HG2 GLN 31 2HG GLN 31 21.089 4.328 -3.424
251 HG3 GLN 31 1HG GLN 31 19.390 4.121 -3.005
252 HE21 GLN 31 1HE2 GLN 31 19.975 3.680 -0.180
253 HE22 GLN 31 2HE2 GLN 31 20.373 5.229 0.475
254 H LYS 32 H LYS 32 19.341 -0.376 -2.399
255 HA LYS 32 HA LYS 32 21.623 -1.839 -1.466
256 HB2 LYS 32 2HB LYS 32 18.757 -2.763 -1.760
257 HB3 LYS 32 1HB LYS 32 20.006 -3.534 -0.794
258 HG2 LYS 32 2HG LYS 32 20.047 -1.730 0.749
259 HG3 LYS 32 1HG LYS 32 19.034 -0.734 -0.298
260 HD2 LYS 32 2HD LYS 32 17.166 -2.252 0.017
261 HD3 LYS 32 1HD LYS 32 18.176 -3.324 0.991
262 HE2 LYS 32 2HE LYS 32 18.423 -1.611 2.680
263 HE3 LYS 32 1HE LYS 32 17.528 -0.462 1.687
264 HZ1 LYS 32 3HZ LYS 32 16.162 -1.455 3.442
265 HZ2 LYS 32 1HZ LYS 32 16.416 -2.991 2.780
266 HZ3 LYS 32 2HZ LYS 32 15.566 -1.822 1.903
267 H LEU 33 H LEU 33 19.238 -2.299 -4.051
268 HA LEU 33 HA LEU 33 20.607 -4.600 -5.118
269 HB2 LEU 33 2HB LEU 33 18.493 -3.047 -6.568
270 HB3 LEU 33 1HB LEU 33 18.840 -4.763 -6.649
271 HG LEU 33 HG LEU 33 17.644 -3.374 -4.259
272 HD11 LEU 33 1HD1 LEU 33 16.102 -3.257 -6.109
273 HD12 LEU 33 2HD1 LEU 33 15.542 -4.458 -4.943
274 HD13 LEU 33 3HD1 LEU 33 16.322 -4.977 -6.439
275 HD21 LEU 33 3HD2 LEU 33 18.874 -5.419 -3.720
276 HD22 LEU 33 1HD2 LEU 33 17.930 -6.303 -4.920
277 HD23 LEU 33 2HD2 LEU 33 17.138 -5.633 -3.494
278 H TYR 34 H TYR 34 19.602 -1.618 -6.763
279 HA TYR 34 HA TYR 34 21.599 -1.828 -8.761
280 HB2 TYR 34 2HB TYR 34 19.959 0.588 -7.966
281 HB3 TYR 34 1HB TYR 34 20.823 0.374 -9.485
282 HD1 TYR 34 2HD TYR 34 17.895 -0.648 -7.517
283 HD2 TYR 34 1HD TYR 34 19.945 -1.055 -11.225
284 HE1 TYR 34 2HE TYR 34 15.899 -1.695 -8.500
285 HE2 TYR 34 1HE TYR 34 17.953 -2.101 -12.217
286 HH TYR 34 HH TYR 34 14.902 -2.088 -10.667
Start of MODEL 3
1 H1 MET 1 1HT MET 1 -5.713 -4.224 -6.685
2 H2 MET 1 2HT MET 1 -5.634 -4.903 -5.138
3 H3 MET 1 3HT MET 1 -5.525 -3.226 -5.332
4 HA MET 1 HA MET 1 -7.699 -3.883 -4.517
5 HB2 MET 1 2HB MET 1 -7.646 -2.808 -7.343
6 HB3 MET 1 1HB MET 1 -9.035 -2.723 -6.268
7 HG2 MET 1 2HG MET 1 -6.354 -1.442 -5.788
8 HG3 MET 1 1HG MET 1 -7.816 -0.619 -6.330
9 HE1 MET 1 2HE MET 1 -7.293 0.631 -2.621
10 HE2 MET 1 3HE MET 1 -7.407 1.117 -4.313
11 HE3 MET 1 1HE MET 1 -6.011 0.197 -3.751
12 H ALA 2 H ALA 2 -8.902 -5.624 -4.306
13 HA ALA 2 HA ALA 2 -10.054 -6.959 -6.562
14 HB1 ALA 2 1HB ALA 2 -8.096 -8.516 -4.879
15 HB2 ALA 2 2HB ALA 2 -7.842 -8.013 -6.549
16 HB3 ALA 2 3HB ALA 2 -9.117 -9.168 -6.160
17 H GLU 3 H GLU 3 -9.390 -6.968 -3.108
18 HA GLU 3 HA GLU 3 -11.636 -8.598 -2.419
19 HB2 GLU 3 2HB GLU 3 -10.047 -6.727 -0.655
20 HB3 GLU 3 1HB GLU 3 -11.086 -8.039 -0.120
21 HG2 GLU 3 2HG GLU 3 -9.578 -9.638 -1.262
22 HG3 GLU 3 1HG GLU 3 -8.508 -8.291 -1.650
23 H MET 4 H MET 4 -12.618 -7.048 -0.204
24 HA MET 4 HA MET 4 -13.609 -4.593 -1.025
25 HB2 MET 4 2HB MET 4 -15.985 -5.189 -1.290
26 HB3 MET 4 1HB MET 4 -14.971 -5.872 -2.553
27 HG2 MET 4 2HG MET 4 -14.953 -8.009 -1.330
28 HG3 MET 4 1HG MET 4 -16.061 -7.313 -0.150
29 HE1 MET 4 3HE MET 4 -18.409 -9.766 -2.062
30 HE2 MET 4 1HE MET 4 -17.851 -9.217 -0.482
31 HE3 MET 4 2HE MET 4 -16.728 -10.011 -1.586
32 H GLY 5 H GLY 5 -12.419 -5.887 1.239
33 HA2 GLY 5 2HA GLY 5 -14.419 -6.107 3.299
34 HA3 GLY 5 1HA GLY 5 -12.677 -6.161 3.523
35 H SER 6 H SER 6 -14.760 -3.639 2.128
36 HA SER 6 HA SER 6 -15.013 -1.434 2.613
37 HB2 SER 6 2HB SER 6 -15.954 -2.295 4.716
38 HB3 SER 6 1HB SER 6 -14.341 -2.327 5.428
39 HG SER 6 HG SER 6 -14.319 -0.171 5.526
40 H LYS 7 H LYS 7 -12.197 -2.830 2.361
41 HA LYS 7 HA LYS 7 -10.447 -0.876 3.556
42 HB2 LYS 7 2HB LYS 7 -9.806 -3.026 1.528
43 HB3 LYS 7 1HB LYS 7 -8.648 -2.133 2.502
44 HG2 LYS 7 2HG LYS 7 -10.743 -4.008 3.583
45 HG3 LYS 7 1HG LYS 7 -9.041 -4.406 3.339
46 HD2 LYS 7 2HD LYS 7 -8.440 -2.577 4.904
47 HD3 LYS 7 1HD LYS 7 -10.159 -2.314 5.203
48 HE2 LYS 7 2HE LYS 7 -10.357 -4.623 6.015
49 HE3 LYS 7 1HE LYS 7 -8.631 -4.858 5.744
50 HZ1 LYS 7 3HZ LYS 7 -9.062 -4.363 8.051
51 HZ2 LYS 7 1HZ LYS 7 -9.858 -2.928 7.639
52 HZ3 LYS 7 2HZ LYS 7 -8.198 -3.086 7.354
53 H GLY 8 H GLY 8 -11.789 -1.560 0.382
54 HA2 GLY 8 2HA GLY 8 -10.151 0.312 -1.024
55 HA3 GLY 8 1HA GLY 8 -11.620 -0.439 -1.624
56 H VAL 9 H VAL 9 -13.455 0.457 0.262
57 HA VAL 9 HA VAL 9 -13.943 3.088 -0.721
58 HB VAL 9 HB VAL 9 -15.965 3.026 0.677
59 HG11 VAL 9 1HG1 VAL 9 -16.013 2.040 -1.541
60 HG12 VAL 9 2HG1 VAL 9 -17.038 1.122 -0.436
61 HG13 VAL 9 3HG1 VAL 9 -15.450 0.502 -0.887
62 HG21 VAL 9 3HG2 VAL 9 -15.109 1.837 2.605
63 HG22 VAL 9 1HG2 VAL 9 -14.857 0.388 1.633
64 HG23 VAL 9 2HG2 VAL 9 -16.493 0.971 1.938
65 H THR 10 H THR 10 -12.870 1.791 2.396
66 HA THR 10 HA THR 10 -12.768 4.528 3.461
67 HB THR 10 HB THR 10 -12.477 1.900 4.927
68 HG1 THR 10 1HG THR 10 -14.577 2.259 5.574
69 HG21 THR 10 3HG2 THR 10 -12.719 3.279 6.959
70 HG22 THR 10 1HG2 THR 10 -12.676 4.732 5.960
71 HG23 THR 10 2HG2 THR 10 -11.261 3.682 6.052
72 H ALA 11 H ALA 11 -10.733 1.609 3.804
73 HA ALA 11 HA ALA 11 -8.402 3.036 4.487
74 HB1 ALA 11 1HB ALA 11 -7.234 0.938 4.218
75 HB2 ALA 11 2HB ALA 11 -8.595 0.266 3.322
76 HB3 ALA 11 3HB ALA 11 -8.777 0.667 5.030
77 H GLY 12 H GLY 12 -9.952 3.106 1.615
78 HA2 GLY 12 2HA GLY 12 -7.864 2.743 -0.264
79 HA3 GLY 12 1HA GLY 12 -9.366 3.606 -0.546
80 H LYS 13 H LYS 13 -9.118 5.662 1.341
81 HA LYS 13 HA LYS 13 -7.450 7.444 -0.096
82 HB2 LYS 13 2HB LYS 13 -8.103 9.118 1.548
83 HB3 LYS 13 1HB LYS 13 -9.499 8.190 1.020
84 HG2 LYS 13 2HG LYS 13 -9.924 8.173 3.233
85 HG3 LYS 13 1HG LYS 13 -8.857 6.769 3.182
86 HD2 LYS 13 2HD LYS 13 -8.193 8.201 5.004
87 HD3 LYS 13 1HD LYS 13 -6.952 8.251 3.752
88 HE2 LYS 13 2HE LYS 13 -7.383 10.481 4.616
89 HE3 LYS 13 1HE LYS 13 -7.876 10.367 2.928
90 HZ1 LYS 13 3HZ LYS 13 -9.525 11.536 4.233
91 HZ2 LYS 13 1HZ LYS 13 -9.684 10.217 5.280
92 HZ3 LYS 13 2HZ LYS 13 -10.167 10.079 3.666
93 H ILE 14 H ILE 14 -7.036 5.636 2.886
94 HA ILE 14 HA ILE 14 -4.674 6.971 3.749
95 HB ILE 14 HB ILE 14 -5.663 4.182 4.382
96 HG12 ILE 14 2HG1 ILE 14 -6.021 5.519 6.658
97 HG13 ILE 14 1HG1 ILE 14 -6.139 6.884 5.551
98 HG21 ILE 14 1HG2 ILE 14 -4.120 4.282 6.301
99 HG22 ILE 14 2HG2 ILE 14 -3.473 5.799 5.677
100 HG23 ILE 14 3HG2 ILE 14 -3.277 4.310 4.752
101 HD11 ILE 14 3HD1 ILE 14 -7.932 5.718 4.345
102 HD12 ILE 14 1HD1 ILE 14 -8.328 6.010 6.039
103 HD13 ILE 14 2HD1 ILE 14 -7.834 4.400 5.512
104 H ALA 15 H ALA 15 -5.291 4.161 1.698
105 HA ALA 15 HA ALA 15 -2.724 3.136 1.486
106 HB1 ALA 15 1HB ALA 15 -4.699 2.028 0.563
107 HB2 ALA 15 2HB ALA 15 -3.427 2.188 -0.648
108 HB3 ALA 15 3HB ALA 15 -4.816 3.274 -0.681
109 H SER 16 H SER 16 -4.265 5.647 -0.479
110 HA SER 16 HA SER 16 -2.091 6.158 -2.172
111 HB2 SER 16 2HB SER 16 -4.299 8.021 -1.265
112 HB3 SER 16 1HB SER 16 -3.205 8.334 -2.612
113 HG SER 16 HG SER 16 -5.406 6.709 -2.478
114 H ASN 17 H ASN 17 -2.902 7.347 1.020
115 HA ASN 17 HA ASN 17 -0.967 9.428 1.105
116 HB2 ASN 17 2HB ASN 17 -2.799 8.101 3.020
117 HB3 ASN 17 1HB ASN 17 -1.421 8.944 3.712
118 HD21 ASN 17 1HD2 ASN 17 -4.265 9.542 3.880
119 HD22 ASN 17 2HD2 ASN 17 -4.455 11.146 3.266
120 H VAL 18 H VAL 18 -1.013 6.139 2.477
121 HA VAL 18 HA VAL 18 1.574 6.266 3.595
122 HB VAL 18 HB VAL 18 1.458 3.836 3.763
123 HG11 VAL 18 1HG1 VAL 18 -0.647 3.661 5.058
124 HG12 VAL 18 2HG1 VAL 18 -1.132 5.231 4.417
125 HG13 VAL 18 3HG1 VAL 18 0.294 5.102 5.446
126 HG21 VAL 18 3HG2 VAL 18 0.477 3.370 1.572
127 HG22 VAL 18 1HG2 VAL 18 -1.056 4.050 2.115
128 HG23 VAL 18 2HG2 VAL 18 -0.428 2.583 2.864
129 H GLN 19 H GLN 19 0.381 5.569 0.402
130 HA GLN 19 HA GLN 19 2.497 4.197 -0.727
131 HB2 GLN 19 2HB GLN 19 0.164 5.122 -1.667
132 HB3 GLN 19 1HB GLN 19 1.234 6.338 -2.353
133 HG2 GLN 19 2HG GLN 19 2.553 4.560 -3.407
134 HG3 GLN 19 1HG GLN 19 1.439 3.366 -2.743
135 HE21 GLN 19 1HE2 GLN 19 0.407 6.481 -3.926
136 HE22 GLN 19 2HE2 GLN 19 -0.425 5.896 -5.322
137 H LYS 20 H LYS 20 2.113 7.676 -0.188
138 HA LYS 20 HA LYS 20 4.424 8.495 -1.586
139 HB2 LYS 20 2HB LYS 20 3.670 10.017 0.850
140 HB3 LYS 20 1HB LYS 20 4.012 10.595 -0.773
141 HG2 LYS 20 2HG LYS 20 1.453 9.310 0.159
142 HG3 LYS 20 1HG LYS 20 1.707 11.021 -0.174
143 HD2 LYS 20 2HD LYS 20 1.972 8.809 -2.208
144 HD3 LYS 20 1HD LYS 20 0.543 9.823 -1.998
145 HE2 LYS 20 2HE LYS 20 1.905 11.811 -2.498
146 HE3 LYS 20 1HE LYS 20 3.310 10.774 -2.743
147 HZ1 LYS 20 3HZ LYS 20 2.309 11.338 -4.846
148 HZ2 LYS 20 1HZ LYS 20 0.808 10.739 -4.345
149 HZ3 LYS 20 2HZ LYS 20 2.111 9.682 -4.559
150 H LYS 21 H LYS 21 3.846 7.443 1.708
151 HA LYS 21 HA LYS 21 6.456 7.952 2.691
152 HB2 LYS 21 2HB LYS 21 4.089 6.375 3.616
153 HB3 LYS 21 1HB LYS 21 5.628 6.199 4.437
154 HG2 LYS 21 2HG LYS 21 5.597 8.351 5.253
155 HG3 LYS 21 1HG LYS 21 4.515 8.925 3.981
156 HD2 LYS 21 2HD LYS 21 2.666 7.710 4.971
157 HD3 LYS 21 1HD LYS 21 3.735 7.046 6.209
158 HE2 LYS 21 2HE LYS 21 4.195 9.359 6.980
159 HE3 LYS 21 1HE LYS 21 3.013 9.948 5.811
160 HZ1 LYS 21 3HZ LYS 21 2.045 9.729 8.010
161 HZ2 LYS 21 1HZ LYS 21 2.446 8.086 8.056
162 HZ3 LYS 21 2HZ LYS 21 1.311 8.650 6.936
163 H LEU 22 H LEU 22 4.959 5.265 1.041
164 HA LEU 22 HA LEU 22 7.172 3.475 1.576
165 HB2 LEU 22 2HB LEU 22 4.796 3.116 -0.252
166 HB3 LEU 22 1HB LEU 22 5.928 1.866 0.226
167 HG LEU 22 HG LEU 22 4.089 3.330 2.110
168 HD11 LEU 22 1HD1 LEU 22 2.833 1.928 0.566
169 HD12 LEU 22 2HD1 LEU 22 2.824 1.239 2.190
170 HD13 LEU 22 3HD1 LEU 22 3.875 0.557 0.950
171 HD21 LEU 22 3HD2 LEU 22 4.737 1.597 3.710
172 HD22 LEU 22 1HD2 LEU 22 6.133 2.535 3.179
173 HD23 LEU 22 2HD2 LEU 22 5.855 0.920 2.526
174 H THR 23 H THR 23 6.338 5.858 -0.687
175 HA THR 23 HA THR 23 7.611 4.810 -2.985
176 HB THR 23 HB THR 23 6.054 6.985 -2.592
177 HG1 THR 23 1HG THR 23 7.777 7.241 -4.752
178 HG21 THR 23 3HG2 THR 23 7.314 9.013 -2.977
179 HG22 THR 23 1HG2 THR 23 8.828 8.107 -3.009
180 HG23 THR 23 2HG2 THR 23 7.909 8.237 -1.510
181 H ARG 24 H ARG 24 8.759 6.649 -0.203
182 HA ARG 24 HA ARG 24 11.338 7.196 -1.272
183 HB2 ARG 24 2HB ARG 24 11.990 7.764 0.990
184 HB3 ARG 24 1HB ARG 24 10.421 8.462 0.618
185 HG2 ARG 24 2HG ARG 24 9.296 6.969 1.999
186 HG3 ARG 24 1HG ARG 24 10.660 5.848 2.056
187 HD2 ARG 24 2HD ARG 24 11.940 7.401 3.363
188 HD3 ARG 24 1HD ARG 24 10.688 8.629 3.201
189 HE ARG 24 HE ARG 24 9.495 6.418 4.374
190 HH11 ARG 24 1HH1 ARG 24 12.039 8.675 5.130
191 HH12 ARG 24 2HH1 ARG 24 11.801 8.569 6.842
192 HH21 ARG 24 1HH2 ARG 24 9.172 6.274 6.627
193 HH22 ARG 24 2HH2 ARG 24 10.172 7.203 7.693
194 H ALA 25 H ALA 25 9.906 4.536 0.484
195 HA ALA 25 HA ALA 25 12.235 3.133 1.178
196 HB1 ALA 25 1HB ALA 25 10.798 1.166 1.341
197 HB2 ALA 25 2HB ALA 25 9.525 2.008 0.459
198 HB3 ALA 25 3HB ALA 25 10.011 2.573 2.058
199 H GLN 26 H GLN 26 10.283 3.165 -1.751
200 HA GLN 26 HA GLN 26 11.565 1.094 -3.134
201 HB2 GLN 26 2HB GLN 26 10.077 3.541 -4.076
202 HB3 GLN 26 1HB GLN 26 10.706 2.334 -5.192
203 HG2 GLN 26 2HG GLN 26 9.373 0.621 -3.953
204 HG3 GLN 26 1HG GLN 26 8.634 1.941 -3.051
205 HE21 GLN 26 1HE2 GLN 26 8.656 3.729 -5.372
206 HE22 GLN 26 2HE2 GLN 26 7.384 3.182 -6.403
207 H GLU 27 H GLU 27 12.219 4.582 -3.046
208 HA GLU 27 HA GLU 27 14.358 4.482 -4.898
209 HB2 GLU 27 2HB GLU 27 13.909 6.533 -2.729
210 HB3 GLU 27 1HB GLU 27 14.876 6.726 -4.187
211 HG2 GLU 27 2HG GLU 27 12.892 6.579 -5.563
212 HG3 GLU 27 1HG GLU 27 11.898 6.285 -4.137
213 H LYS 28 H LYS 28 14.119 3.948 -1.466
214 HA LYS 28 HA LYS 28 16.892 4.174 -0.886
215 HB2 LYS 28 2HB LYS 28 15.197 4.460 0.840
216 HB3 LYS 28 1HB LYS 28 14.674 2.794 0.627
217 HG2 LYS 28 2HG LYS 28 17.526 3.202 1.249
218 HG3 LYS 28 1HG LYS 28 16.373 3.572 2.533
219 HD2 LYS 28 2HD LYS 28 15.428 1.344 2.370
220 HD3 LYS 28 1HD LYS 28 16.486 0.968 1.008
221 HE2 LYS 28 2HE LYS 28 17.326 0.002 3.092
222 HE3 LYS 28 1HE LYS 28 18.439 1.203 2.440
223 HZ1 LYS 28 3HZ LYS 28 16.507 1.648 4.652
224 HZ2 LYS 28 1HZ LYS 28 17.556 2.815 4.018
225 HZ3 LYS 28 2HZ LYS 28 18.180 1.463 4.820
226 H VAL 29 H VAL 29 14.763 1.402 -1.569
227 HA VAL 29 HA VAL 29 16.641 -0.605 -1.044
228 HB VAL 29 HB VAL 29 15.307 -2.061 -2.540
229 HG11 VAL 29 1HG1 VAL 29 13.695 -0.368 -0.630
230 HG12 VAL 29 2HG1 VAL 29 14.674 -1.773 -0.203
231 HG13 VAL 29 3HG1 VAL 29 13.244 -1.968 -1.218
232 HG21 VAL 29 3HG2 VAL 29 13.360 -1.259 -3.665
233 HG22 VAL 29 1HG2 VAL 29 14.727 -0.267 -4.175
234 HG23 VAL 29 2HG2 VAL 29 13.575 0.357 -2.994
235 H LEU 30 H LEU 30 16.183 1.442 -3.844
236 HA LEU 30 HA LEU 30 17.696 0.024 -5.715
237 HB2 LEU 30 2HB LEU 30 17.601 3.030 -5.421
238 HB3 LEU 30 1HB LEU 30 17.991 2.132 -6.874
239 HG LEU 30 HG LEU 30 15.295 1.979 -5.547
240 HD11 LEU 30 1HD1 LEU 30 15.688 4.295 -6.152
241 HD12 LEU 30 2HD1 LEU 30 14.530 3.564 -7.267
242 HD13 LEU 30 3HD1 LEU 30 16.203 3.804 -7.767
243 HD21 LEU 30 3HD2 LEU 30 15.881 0.141 -7.059
244 HD22 LEU 30 1HD2 LEU 30 16.217 1.308 -8.338
245 HD23 LEU 30 2HD2 LEU 30 14.578 1.135 -7.709
246 H GLN 31 H GLN 31 18.621 2.029 -3.018
247 HA GLN 31 HA GLN 31 21.304 2.507 -3.659
248 HB2 GLN 31 2HB GLN 31 19.961 2.204 -0.965
249 HB3 GLN 31 1HB GLN 31 21.603 2.792 -1.188
250 HG2 GLN 31 2HG GLN 31 20.857 4.738 -2.296
251 HG3 GLN 31 1HG GLN 31 19.223 4.099 -2.469
252 HE21 GLN 31 1HE2 GLN 31 21.086 3.756 0.457
253 HE22 GLN 31 2HE2 GLN 31 20.135 4.827 1.422
254 H LYS 32 H LYS 32 19.697 -0.282 -2.298
255 HA LYS 32 HA LYS 32 22.114 -1.624 -1.525
256 HB2 LYS 32 2HB LYS 32 19.273 -2.603 -1.839
257 HB3 LYS 32 1HB LYS 32 20.592 -3.595 -1.234
258 HG2 LYS 32 2HG LYS 32 19.659 -1.031 0.037
259 HG3 LYS 32 1HG LYS 32 19.170 -2.647 0.547
260 HD2 LYS 32 2HD LYS 32 21.527 -3.197 0.996
261 HD3 LYS 32 1HD LYS 32 21.985 -1.556 0.531
262 HE2 LYS 32 2HE LYS 32 21.851 -1.755 2.950
263 HE3 LYS 32 1HE LYS 32 20.605 -0.662 2.346
264 HZ1 LYS 32 3HZ LYS 32 19.712 -2.151 4.012
265 HZ2 LYS 32 1HZ LYS 32 20.198 -3.502 3.116
266 HZ3 LYS 32 2HZ LYS 32 19.001 -2.471 2.511
267 H LEU 33 H LEU 33 19.853 -1.837 -4.240
268 HA LEU 33 HA LEU 33 21.347 -3.941 -5.529
269 HB2 LEU 33 2HB LEU 33 19.238 -2.230 -6.817
270 HB3 LEU 33 1HB LEU 33 19.700 -3.870 -7.226
271 HG LEU 33 HG LEU 33 18.236 -3.023 -4.730
272 HD11 LEU 33 1HD1 LEU 33 16.338 -4.205 -5.718
273 HD12 LEU 33 2HD1 LEU 33 17.283 -4.497 -7.178
274 HD13 LEU 33 3HD1 LEU 33 16.855 -2.848 -6.720
275 HD21 LEU 33 3HD2 LEU 33 18.980 -5.769 -5.736
276 HD22 LEU 33 1HD2 LEU 33 17.965 -5.426 -4.333
277 HD23 LEU 33 2HD2 LEU 33 19.665 -4.956 -4.328
278 H TYR 34 H TYR 34 20.354 -0.782 -6.809
279 HA TYR 34 HA TYR 34 22.459 -0.665 -8.693
280 HB2 TYR 34 2HB TYR 34 20.665 1.528 -7.635
281 HB3 TYR 34 1HB TYR 34 21.703 1.666 -9.051
282 HD1 TYR 34 2HD TYR 34 18.688 0.028 -7.685
283 HD2 TYR 34 1HD TYR 34 21.073 0.712 -11.147
284 HE1 TYR 34 2HE TYR 34 16.888 -0.869 -9.100
285 HE2 TYR 34 1HE TYR 34 19.276 -0.183 -12.567
286 HH TYR 34 HH TYR 34 17.342 -1.664 -12.377
Start of MODEL 4
1 H1 MET 1 1HT MET 1 -21.008 -10.383 -4.781
2 H2 MET 1 2HT MET 1 -22.357 -9.555 -5.377
3 H3 MET 1 3HT MET 1 -22.253 -9.924 -3.730
4 HA MET 1 HA MET 1 -20.475 -8.082 -5.217
5 HB2 MET 1 2HB MET 1 -21.543 -6.414 -3.571
6 HB3 MET 1 1HB MET 1 -22.493 -6.930 -4.957
7 HG2 MET 1 2HG MET 1 -23.918 -6.918 -3.060
8 HG3 MET 1 1HG MET 1 -23.610 -8.599 -3.490
9 HE1 MET 1 2HE MET 1 -24.861 -7.751 -0.721
10 HE2 MET 1 3HE MET 1 -23.944 -8.745 0.410
11 HE3 MET 1 1HE MET 1 -24.494 -9.430 -1.120
12 H ALA 2 H ALA 2 -19.451 -6.566 -3.439
13 HA ALA 2 HA ALA 2 -18.786 -7.804 -0.953
14 HB1 ALA 2 1HB ALA 2 -16.422 -8.169 -1.361
15 HB2 ALA 2 2HB ALA 2 -16.625 -7.701 -3.048
16 HB3 ALA 2 3HB ALA 2 -17.398 -9.165 -2.439
17 H GLU 3 H GLU 3 -19.677 -5.676 -0.539
18 HA GLU 3 HA GLU 3 -17.611 -3.733 -0.081
19 HB2 GLU 3 2HB GLU 3 -19.734 -3.283 -2.156
20 HB3 GLU 3 1HB GLU 3 -19.135 -1.923 -1.221
21 HG2 GLU 3 2HG GLU 3 -17.486 -3.742 -2.959
22 HG3 GLU 3 1HG GLU 3 -17.984 -2.097 -3.343
23 H MET 4 H MET 4 -19.638 -1.571 0.141
24 HA MET 4 HA MET 4 -20.858 -0.639 1.824
25 HB2 MET 4 2HB MET 4 -22.211 -3.341 1.752
26 HB3 MET 4 1HB MET 4 -22.875 -1.883 2.477
27 HG2 MET 4 2HG MET 4 -22.957 -0.808 0.310
28 HG3 MET 4 1HG MET 4 -22.211 -2.218 -0.440
29 HE1 MET 4 3HE MET 4 -24.192 -2.282 -2.227
30 HE2 MET 4 1HE MET 4 -24.929 -0.877 -1.457
31 HE3 MET 4 2HE MET 4 -25.899 -2.313 -1.786
32 H GLY 5 H GLY 5 -18.626 -1.073 2.944
33 HA2 GLY 5 2HA GLY 5 -19.250 -1.916 5.629
34 HA3 GLY 5 1HA GLY 5 -18.101 -2.968 4.815
35 H SER 6 H SER 6 -18.201 0.443 4.139
36 HA SER 6 HA SER 6 -16.590 2.039 4.288
37 HB2 SER 6 2HB SER 6 -16.291 0.913 7.080
38 HB3 SER 6 1HB SER 6 -15.841 2.529 6.543
39 HG SER 6 HG SER 6 -17.827 3.125 6.811
40 H LYS 7 H LYS 7 -15.774 -0.739 3.487
41 HA LYS 7 HA LYS 7 -13.051 -0.979 4.429
42 HB2 LYS 7 2HB LYS 7 -14.732 -2.548 2.488
43 HB3 LYS 7 1HB LYS 7 -13.012 -2.856 2.679
44 HG2 LYS 7 2HG LYS 7 -14.978 -2.940 4.954
45 HG3 LYS 7 1HG LYS 7 -14.514 -4.351 4.001
46 HD2 LYS 7 2HD LYS 7 -12.180 -4.029 4.650
47 HD3 LYS 7 1HD LYS 7 -12.631 -2.602 5.585
48 HE2 LYS 7 2HE LYS 7 -14.005 -3.969 7.050
49 HE3 LYS 7 1HE LYS 7 -13.640 -5.400 6.088
50 HZ1 LYS 7 3HZ LYS 7 -11.648 -3.790 7.592
51 HZ2 LYS 7 1HZ LYS 7 -11.321 -5.189 6.699
52 HZ3 LYS 7 2HZ LYS 7 -12.280 -5.277 8.089
53 H GLY 8 H GLY 8 -14.347 -0.932 1.112
54 HA2 GLY 8 2HA GLY 8 -11.866 -0.018 0.031
55 HA3 GLY 8 1HA GLY 8 -13.375 -0.200 -0.844
56 H VAL 9 H VAL 9 -14.872 1.612 0.889
57 HA VAL 9 HA VAL 9 -14.256 4.029 -0.483
58 HB VAL 9 HB VAL 9 -16.111 5.012 0.751
59 HG11 VAL 9 1HG1 VAL 9 -16.675 2.212 -0.208
60 HG12 VAL 9 2HG1 VAL 9 -16.618 3.667 -1.202
61 HG13 VAL 9 3HG1 VAL 9 -17.882 3.479 0.013
62 HG21 VAL 9 3HG2 VAL 9 -15.719 4.022 2.934
63 HG22 VAL 9 1HG2 VAL 9 -16.134 2.427 2.305
64 HG23 VAL 9 2HG2 VAL 9 -17.365 3.685 2.396
65 H THR 10 H THR 10 -13.521 2.799 2.705
66 HA THR 10 HA THR 10 -12.561 5.420 3.576
67 HB THR 10 HB THR 10 -12.622 2.826 5.125
68 HG1 THR 10 1HG THR 10 -14.431 5.031 5.110
69 HG21 THR 10 3HG2 THR 10 -12.379 4.297 7.088
70 HG22 THR 10 1HG2 THR 10 -12.210 5.683 6.010
71 HG23 THR 10 2HG2 THR 10 -10.993 4.406 6.003
72 H ALA 11 H ALA 11 -11.284 2.083 3.517
73 HA ALA 11 HA ALA 11 -8.614 2.780 4.014
74 HB1 ALA 11 1HB ALA 11 -9.627 0.362 2.534
75 HB2 ALA 11 2HB ALA 11 -9.525 0.515 4.288
76 HB3 ALA 11 3HB ALA 11 -8.055 0.537 3.314
77 H GLY 12 H GLY 12 -10.389 3.621 1.370
78 HA2 GLY 12 2HA GLY 12 -8.585 3.120 -0.761
79 HA3 GLY 12 1HA GLY 12 -9.880 4.308 -0.764
80 H LYS 13 H LYS 13 -9.114 5.990 1.276
81 HA LYS 13 HA LYS 13 -7.129 7.553 -0.013
82 HB2 LYS 13 2HB LYS 13 -7.356 9.063 1.923
83 HB3 LYS 13 1HB LYS 13 -8.911 8.613 1.241
84 HG2 LYS 13 2HG LYS 13 -9.512 8.171 3.336
85 HG3 LYS 13 1HG LYS 13 -8.546 6.705 3.163
86 HD2 LYS 13 2HD LYS 13 -7.925 7.843 5.200
87 HD3 LYS 13 1HD LYS 13 -6.590 7.929 4.051
88 HE2 LYS 13 2HE LYS 13 -7.192 10.201 3.471
89 HE3 LYS 13 1HE LYS 13 -8.616 10.118 4.507
90 HZ1 LYS 13 3HZ LYS 13 -7.179 9.885 6.423
91 HZ2 LYS 13 1HZ LYS 13 -6.780 11.290 5.570
92 HZ3 LYS 13 2HZ LYS 13 -5.803 9.915 5.440
93 H ILE 14 H ILE 14 -7.079 5.337 2.714
94 HA ILE 14 HA ILE 14 -4.498 6.037 3.667
95 HB ILE 14 HB ILE 14 -6.043 3.453 3.961
96 HG12 ILE 14 2HG1 ILE 14 -6.084 4.497 6.403
97 HG13 ILE 14 1HG1 ILE 14 -5.884 6.000 5.508
98 HG21 ILE 14 1HG2 ILE 14 -3.691 2.994 4.250
99 HG22 ILE 14 2HG2 ILE 14 -4.493 2.961 5.821
100 HG23 ILE 14 3HG2 ILE 14 -3.528 4.361 5.352
101 HD11 ILE 14 3HD1 ILE 14 -7.900 5.463 4.212
102 HD12 ILE 14 1HD1 ILE 14 -8.214 5.595 5.942
103 HD13 ILE 14 2HD1 ILE 14 -8.111 4.007 5.181
104 H ALA 15 H ALA 15 -5.661 3.723 1.267
105 HA ALA 15 HA ALA 15 -3.332 2.268 0.838
106 HB1 ALA 15 1HB ALA 15 -5.373 3.101 -1.221
107 HB2 ALA 15 2HB ALA 15 -5.487 1.689 -0.172
108 HB3 ALA 15 3HB ALA 15 -4.211 1.785 -1.386
109 H SER 16 H SER 16 -4.387 5.292 -0.660
110 HA SER 16 HA SER 16 -2.137 5.635 -2.308
111 HB2 SER 16 2HB SER 16 -4.224 6.889 -2.651
112 HB3 SER 16 1HB SER 16 -3.974 7.737 -1.125
113 HG SER 16 HG SER 16 -1.824 8.276 -2.244
114 H ASN 17 H ASN 17 -2.784 6.441 1.028
115 HA ASN 17 HA ASN 17 -0.571 8.161 1.439
116 HB2 ASN 17 2HB ASN 17 -2.399 6.632 3.253
117 HB3 ASN 17 1HB ASN 17 -1.026 7.511 3.903
118 HD21 ASN 17 1HD2 ASN 17 -3.037 8.429 1.164
119 HD22 ASN 17 2HD2 ASN 17 -3.679 9.863 1.883
120 H VAL 18 H VAL 18 -1.056 4.690 2.067
121 HA VAL 18 HA VAL 18 1.515 4.293 3.176
122 HB VAL 18 HB VAL 18 1.110 1.908 2.881
123 HG11 VAL 18 1HG1 VAL 18 -0.923 1.725 4.226
124 HG12 VAL 18 2HG1 VAL 18 -1.334 3.394 3.829
125 HG13 VAL 18 3HG1 VAL 18 0.105 3.044 4.787
126 HG21 VAL 18 3HG2 VAL 18 -0.886 1.066 1.805
127 HG22 VAL 18 1HG2 VAL 18 0.054 2.026 0.662
128 HG23 VAL 18 2HG2 VAL 18 -1.390 2.708 1.408
129 H GLN 19 H GLN 19 0.250 4.222 -0.087
130 HA GLN 19 HA GLN 19 2.286 2.897 -1.414
131 HB2 GLN 19 2HB GLN 19 -0.015 4.038 -2.186
132 HB3 GLN 19 1HB GLN 19 1.112 5.261 -2.759
133 HG2 GLN 19 2HG GLN 19 1.104 2.345 -3.483
134 HG3 GLN 19 1HG GLN 19 0.626 3.690 -4.518
135 HE21 GLN 19 1HE2 GLN 19 2.215 5.054 -5.360
136 HE22 GLN 19 2HE2 GLN 19 3.881 4.599 -5.406
137 H LYS 20 H LYS 20 2.008 6.406 -0.789
138 HA LYS 20 HA LYS 20 4.479 7.031 -1.992
139 HB2 LYS 20 2HB LYS 20 4.249 9.225 -0.822
140 HB3 LYS 20 1HB LYS 20 2.890 8.772 -1.837
141 HG2 LYS 20 2HG LYS 20 1.931 9.650 0.095
142 HG3 LYS 20 1HG LYS 20 1.809 7.899 0.299
143 HD2 LYS 20 2HD LYS 20 2.684 8.404 2.327
144 HD3 LYS 20 1HD LYS 20 4.183 8.272 1.400
145 HE2 LYS 20 2HE LYS 20 4.200 10.690 1.067
146 HE3 LYS 20 1HE LYS 20 2.695 10.834 1.975
147 HZ1 LYS 20 3HZ LYS 20 4.602 11.366 3.350
148 HZ2 LYS 20 1HZ LYS 20 5.282 9.845 3.052
149 HZ3 LYS 20 2HZ LYS 20 3.839 9.971 3.925
150 H LYS 21 H LYS 21 3.684 5.848 1.148
151 HA LYS 21 HA LYS 21 6.095 6.640 2.426
152 HB2 LYS 21 2HB LYS 21 3.973 4.598 3.023
153 HB3 LYS 21 1HB LYS 21 5.424 4.717 4.004
154 HG2 LYS 21 2HG LYS 21 4.854 6.784 4.848
155 HG3 LYS 21 1HG LYS 21 3.789 7.154 3.489
156 HD2 LYS 21 2HD LYS 21 2.161 5.562 4.278
157 HD3 LYS 21 1HD LYS 21 3.242 5.047 5.575
158 HE2 LYS 21 2HE LYS 21 3.140 7.297 6.541
159 HE3 LYS 21 1HE LYS 21 2.052 7.801 5.247
160 HZ1 LYS 21 3HZ LYS 21 1.487 5.692 7.261
161 HZ2 LYS 21 1HZ LYS 21 0.442 6.171 6.018
162 HZ3 LYS 21 2HZ LYS 21 0.836 7.254 7.256
163 H LEU 22 H LEU 22 5.134 3.942 0.444
164 HA LEU 22 HA LEU 22 7.514 2.404 1.003
165 HB2 LEU 22 2HB LEU 22 5.373 1.969 -1.077
166 HB3 LEU 22 1HB LEU 22 6.612 0.816 -0.617
167 HG LEU 22 HG LEU 22 4.446 1.836 1.212
168 HD11 LEU 22 1HD1 LEU 22 3.526 0.462 -0.579
169 HD12 LEU 22 2HD1 LEU 22 3.458 -0.383 0.968
170 HD13 LEU 22 3HD1 LEU 22 4.695 -0.808 -0.214
171 HD21 LEU 22 3HD2 LEU 22 6.493 -0.353 1.559
172 HD22 LEU 22 1HD2 LEU 22 5.183 0.014 2.684
173 HD23 LEU 22 2HD2 LEU 22 6.463 1.194 2.407
174 H THR 23 H THR 23 6.575 4.900 -1.107
175 HA THR 23 HA THR 23 8.182 4.288 -3.348
176 HB THR 23 HB THR 23 6.366 6.222 -2.930
177 HG1 THR 23 1HG THR 23 7.258 7.174 -4.879
178 HG21 THR 23 3HG2 THR 23 7.377 8.406 -2.801
179 HG22 THR 23 1HG2 THR 23 8.994 7.702 -2.761
180 HG23 THR 23 2HG2 THR 23 7.898 7.469 -1.401
181 H ARG 24 H ARG 24 8.819 5.759 -0.250
182 HA ARG 24 HA ARG 24 11.388 6.795 -0.817
183 HB2 ARG 24 2HB ARG 24 10.334 5.779 1.833
184 HB3 ARG 24 1HB ARG 24 11.695 6.867 1.601
185 HG2 ARG 24 2HG ARG 24 10.185 8.567 0.703
186 HG3 ARG 24 1HG ARG 24 8.819 7.475 0.943
187 HD2 ARG 24 2HD ARG 24 9.328 7.426 3.359
188 HD3 ARG 24 1HD ARG 24 10.625 8.588 3.088
189 HE ARG 24 HE ARG 24 8.172 9.576 2.075
190 HH11 ARG 24 1HH1 ARG 24 9.888 9.015 5.057
191 HH12 ARG 24 2HH1 ARG 24 9.064 10.273 5.917
192 HH21 ARG 24 1HH2 ARG 24 7.084 11.234 3.200
193 HH22 ARG 24 2HH2 ARG 24 7.472 11.537 4.861
194 H ALA 25 H ALA 25 10.175 3.668 0.209
195 HA ALA 25 HA ALA 25 12.604 2.424 0.855
196 HB1 ALA 25 1HB ALA 25 11.429 0.326 0.554
197 HB2 ALA 25 2HB ALA 25 10.149 1.141 -0.344
198 HB3 ALA 25 3HB ALA 25 10.380 1.486 1.371
199 H GLN 26 H GLN 26 10.917 2.810 -2.218
200 HA GLN 26 HA GLN 26 12.558 1.175 -3.792
201 HB2 GLN 26 2HB GLN 26 10.880 3.588 -4.457
202 HB3 GLN 26 1HB GLN 26 11.753 2.682 -5.687
203 HG2 GLN 26 2HG GLN 26 10.527 0.640 -4.924
204 HG3 GLN 26 1HG GLN 26 9.549 1.689 -3.900
205 HE21 GLN 26 1HE2 GLN 26 9.593 3.867 -5.870
206 HE22 GLN 26 2HE2 GLN 26 8.496 3.395 -7.116
207 H GLU 27 H GLU 27 12.767 4.646 -3.070
208 HA GLU 27 HA GLU 27 15.076 5.081 -4.647
209 HB2 GLU 27 2HB GLU 27 14.184 6.677 -2.247
210 HB3 GLU 27 1HB GLU 27 15.250 7.210 -3.542
211 HG2 GLU 27 2HG GLU 27 13.435 7.104 -5.131
212 HG3 GLU 27 1HG GLU 27 12.356 6.463 -3.893
213 H LYS 28 H LYS 28 14.562 3.939 -1.402
214 HA LYS 28 HA LYS 28 17.215 4.351 -0.458
215 HB2 LYS 28 2HB LYS 28 15.077 3.976 0.909
216 HB3 LYS 28 1HB LYS 28 15.359 2.263 0.616
217 HG2 LYS 28 2HG LYS 28 17.735 2.748 1.513
218 HG3 LYS 28 1HG LYS 28 16.996 4.203 2.186
219 HD2 LYS 28 2HD LYS 28 15.962 1.417 2.639
220 HD3 LYS 28 1HD LYS 28 17.052 2.257 3.742
221 HE2 LYS 28 2HE LYS 28 15.388 4.027 4.034
222 HE3 LYS 28 1HE LYS 28 14.302 3.192 2.924
223 HZ1 LYS 28 3HZ LYS 28 13.719 2.749 5.221
224 HZ2 LYS 28 1HZ LYS 28 15.265 2.136 5.528
225 HZ3 LYS 28 2HZ LYS 28 14.230 1.326 4.463
226 H VAL 29 H VAL 29 15.545 1.540 -1.859
227 HA VAL 29 HA VAL 29 17.607 -0.307 -1.450
228 HB VAL 29 HB VAL 29 16.630 -1.614 -3.316
229 HG11 VAL 29 1HG1 VAL 29 14.448 -1.988 -2.244
230 HG12 VAL 29 2HG1 VAL 29 14.658 -0.497 -1.325
231 HG13 VAL 29 3HG1 VAL 29 15.754 -1.855 -1.067
232 HG21 VAL 29 3HG2 VAL 29 15.960 0.387 -4.666
233 HG22 VAL 29 1HG2 VAL 29 14.614 0.606 -3.550
234 HG23 VAL 29 2HG2 VAL 29 14.722 -0.862 -4.521
235 H LEU 30 H LEU 30 17.164 2.144 -3.909
236 HA LEU 30 HA LEU 30 19.017 1.251 -5.800
237 HB2 LEU 30 2HB LEU 30 18.478 4.123 -5.030
238 HB3 LEU 30 1HB LEU 30 19.161 3.563 -6.543
239 HG LEU 30 HG LEU 30 16.393 2.809 -5.654
240 HD11 LEU 30 1HD1 LEU 30 17.228 5.140 -7.373
241 HD12 LEU 30 2HD1 LEU 30 16.504 5.237 -5.767
242 HD13 LEU 30 3HD1 LEU 30 15.570 4.593 -7.119
243 HD21 LEU 30 3HD2 LEU 30 17.409 1.405 -7.377
244 HD22 LEU 30 1HD2 LEU 30 17.724 2.837 -8.357
245 HD23 LEU 30 2HD2 LEU 30 16.063 2.346 -8.021
246 H GLN 31 H GLN 31 19.422 2.927 -2.758
247 HA GLN 31 HA GLN 31 22.113 3.699 -3.050
248 HB2 GLN 31 2HB GLN 31 20.521 3.056 -0.559
249 HB3 GLN 31 1HB GLN 31 22.107 3.816 -0.559
250 HG2 GLN 31 2HG GLN 31 21.220 5.718 -1.777
251 HG3 GLN 31 1HG GLN 31 19.633 4.951 -1.843
252 HE21 GLN 31 1HE2 GLN 31 19.872 3.885 0.867
253 HE22 GLN 31 2HE2 GLN 31 19.629 5.225 1.930
254 H LYS 32 H LYS 32 20.607 0.672 -2.277
255 HA LYS 32 HA LYS 32 22.915 -0.585 -1.157
256 HB2 LYS 32 2HB LYS 32 20.462 -1.840 -2.406
257 HB3 LYS 32 1HB LYS 32 21.638 -2.662 -1.390
258 HG2 LYS 32 2HG LYS 32 21.014 -1.282 0.500
259 HG3 LYS 32 1HG LYS 32 19.890 -0.374 -0.510
260 HD2 LYS 32 2HD LYS 32 18.655 -1.993 0.775
261 HD3 LYS 32 1HD LYS 32 18.636 -2.474 -0.923
262 HE2 LYS 32 2HE LYS 32 20.354 -4.118 -0.523
263 HE3 LYS 32 1HE LYS 32 20.542 -3.570 1.143
264 HZ1 LYS 32 3HZ LYS 32 18.309 -4.313 1.621
265 HZ2 LYS 32 1HZ LYS 32 19.209 -5.593 0.979
266 HZ3 LYS 32 2HZ LYS 32 18.078 -4.786 0.014
267 H LEU 33 H LEU 33 21.385 -0.591 -4.352
268 HA LEU 33 HA LEU 33 23.428 -2.267 -5.502
269 HB2 LEU 33 2HB LEU 33 21.518 -0.626 -7.118
270 HB3 LEU 33 1HB LEU 33 22.177 -2.213 -7.466
271 HG LEU 33 HG LEU 33 20.087 -1.598 -5.381
272 HD11 LEU 33 1HD1 LEU 33 19.199 -1.348 -7.610
273 HD12 LEU 33 2HD1 LEU 33 18.582 -2.833 -6.887
274 HD13 LEU 33 3HD1 LEU 33 19.873 -2.907 -8.085
275 HD21 LEU 33 3HD2 LEU 33 19.869 -4.044 -5.219
276 HD22 LEU 33 1HD2 LEU 33 21.468 -3.486 -4.725
277 HD23 LEU 33 2HD2 LEU 33 21.243 -4.226 -6.311
278 H TYR 34 H TYR 34 22.281 0.959 -6.438
279 HA TYR 34 HA TYR 34 24.648 1.658 -7.806
280 HB2 TYR 34 2HB TYR 34 22.475 3.454 -6.704
281 HB3 TYR 34 1HB TYR 34 23.674 3.912 -7.910
282 HD1 TYR 34 2HD TYR 34 23.586 2.925 -10.175
283 HD2 TYR 34 1HD TYR 34 20.521 2.192 -7.306
284 HE1 TYR 34 2HE TYR 34 22.099 2.147 -11.971
285 HE2 TYR 34 1HE TYR 34 19.031 1.411 -9.099
286 HH TYR 34 HH TYR 34 20.122 0.697 -12.224
Start of MODEL 5
1 H1 MET 1 1HT MET 1 -23.433 5.860 -9.434
2 H2 MET 1 2HT MET 1 -21.971 6.041 -8.604
3 H3 MET 1 3HT MET 1 -23.233 7.134 -8.339
4 HA MET 1 HA MET 1 -23.114 5.642 -6.500
5 HB2 MET 1 2HB MET 1 -25.442 5.113 -8.354
6 HB3 MET 1 1HB MET 1 -25.401 4.600 -6.674
7 HG2 MET 1 2HG MET 1 -26.645 6.593 -6.729
8 HG3 MET 1 1HG MET 1 -25.073 7.014 -6.056
9 HE1 MET 1 2HE MET 1 -27.234 9.125 -7.247
10 HE2 MET 1 3HE MET 1 -26.129 10.225 -8.071
11 HE3 MET 1 1HE MET 1 -25.706 9.574 -6.487
12 H ALA 2 H ALA 2 -22.373 3.764 -5.752
13 HA ALA 2 HA ALA 2 -22.774 1.282 -7.126
14 HB1 ALA 2 1HB ALA 2 -20.429 0.747 -7.516
15 HB2 ALA 2 2HB ALA 2 -19.963 2.357 -6.966
16 HB3 ALA 2 3HB ALA 2 -20.914 2.169 -8.440
17 H GLU 3 H GLU 3 -20.467 2.745 -4.855
18 HA GLU 3 HA GLU 3 -20.496 0.458 -3.132
19 HB2 GLU 3 2HB GLU 3 -19.313 3.218 -2.875
20 HB3 GLU 3 1HB GLU 3 -19.200 2.025 -1.589
21 HG2 GLU 3 2HG GLU 3 -17.179 2.054 -2.916
22 HG3 GLU 3 1HG GLU 3 -18.014 0.512 -3.090
23 H MET 4 H MET 4 -20.729 1.126 -0.631
24 HA MET 4 HA MET 4 -22.738 2.894 0.059
25 HB2 MET 4 2HB MET 4 -24.416 1.130 0.788
26 HB3 MET 4 1HB MET 4 -24.354 1.516 -0.924
27 HG2 MET 4 2HG MET 4 -22.971 -0.473 -1.306
28 HG3 MET 4 1HG MET 4 -23.079 -0.862 0.410
29 HE1 MET 4 3HE MET 4 -25.924 0.581 -1.955
30 HE2 MET 4 1HE MET 4 -26.637 -0.927 -2.528
31 HE3 MET 4 2HE MET 4 -24.980 -0.511 -2.968
32 H GLY 5 H GLY 5 -20.197 2.238 0.982
33 HA2 GLY 5 2HA GLY 5 -20.788 1.880 3.777
34 HA3 GLY 5 1HA GLY 5 -19.846 0.571 3.076
35 H SER 6 H SER 6 -19.322 2.824 5.054
36 HA SER 6 HA SER 6 -17.331 4.482 3.866
37 HB2 SER 6 2HB SER 6 -16.727 4.814 6.380
38 HB3 SER 6 1HB SER 6 -18.263 5.439 5.775
39 HG SER 6 HG SER 6 -18.703 4.315 7.632
40 H LYS 7 H LYS 7 -17.243 1.337 4.113
41 HA LYS 7 HA LYS 7 -14.712 0.903 5.416
42 HB2 LYS 7 2HB LYS 7 -16.292 -0.952 3.627
43 HB3 LYS 7 1HB LYS 7 -14.953 -1.410 4.667
44 HG2 LYS 7 2HG LYS 7 -17.508 -0.214 5.710
45 HG3 LYS 7 1HG LYS 7 -17.252 -1.949 5.526
46 HD2 LYS 7 2HD LYS 7 -16.592 -1.728 7.693
47 HD3 LYS 7 1HD LYS 7 -15.052 -1.377 6.908
48 HE2 LYS 7 2HE LYS 7 -15.558 0.244 8.672
49 HE3 LYS 7 1HE LYS 7 -15.481 1.010 7.087
50 HZ1 LYS 7 3HZ LYS 7 -17.363 1.818 8.353
51 HZ2 LYS 7 1HZ LYS 7 -17.963 0.245 8.527
52 HZ3 LYS 7 2HZ LYS 7 -17.901 0.962 6.997
53 H GLY 8 H GLY 8 -15.887 1.054 2.080
54 HA2 GLY 8 2HA GLY 8 -13.353 0.455 0.909
55 HA3 GLY 8 1HA GLY 8 -14.757 1.101 0.075
56 H VAL 9 H VAL 9 -15.004 3.449 1.773
57 HA VAL 9 HA VAL 9 -13.203 5.149 0.355
58 HB VAL 9 HB VAL 9 -14.235 6.987 1.569
59 HG11 VAL 9 1HG1 VAL 9 -15.413 6.074 -0.355
60 HG12 VAL 9 2HG1 VAL 9 -16.553 6.652 0.860
61 HG13 VAL 9 3HG1 VAL 9 -16.248 4.923 0.688
62 HG21 VAL 9 3HG2 VAL 9 -15.579 4.832 3.193
63 HG22 VAL 9 1HG2 VAL 9 -16.000 6.544 3.241
64 HG23 VAL 9 2HG2 VAL 9 -14.404 6.011 3.772
65 H THR 10 H THR 10 -13.302 3.823 3.597
66 HA THR 10 HA THR 10 -11.251 5.528 4.640
67 HB THR 10 HB THR 10 -12.406 2.937 5.686
68 HG1 THR 10 1HG THR 10 -12.764 5.341 7.022
69 HG21 THR 10 3HG2 THR 10 -11.319 3.544 7.826
70 HG22 THR 10 1HG2 THR 10 -10.489 4.866 7.006
71 HG23 THR 10 2HG2 THR 10 -10.151 3.195 6.553
72 H ALA 11 H ALA 11 -11.287 2.016 4.014
73 HA ALA 11 HA ALA 11 -8.528 1.636 4.284
74 HB1 ALA 11 1HB ALA 11 -8.879 -0.514 3.207
75 HB2 ALA 11 2HB ALA 11 -10.459 0.012 2.630
76 HB3 ALA 11 3HB ALA 11 -10.173 -0.186 4.358
77 H GLY 12 H GLY 12 -10.402 2.851 1.628
78 HA2 GLY 12 2HA GLY 12 -8.510 2.352 -0.435
79 HA3 GLY 12 1HA GLY 12 -9.802 3.548 -0.487
80 H LYS 13 H LYS 13 -8.839 4.796 2.006
81 HA LYS 13 HA LYS 13 -7.126 6.738 0.874
82 HB2 LYS 13 2HB LYS 13 -8.684 7.344 2.609
83 HB3 LYS 13 1HB LYS 13 -7.976 6.179 3.717
84 HG2 LYS 13 2HG LYS 13 -6.150 8.229 2.662
85 HG3 LYS 13 1HG LYS 13 -7.422 8.792 3.743
86 HD2 LYS 13 2HD LYS 13 -5.759 6.417 4.490
87 HD3 LYS 13 1HD LYS 13 -5.131 8.048 4.728
88 HE2 LYS 13 2HE LYS 13 -6.197 7.223 6.754
89 HE3 LYS 13 1HE LYS 13 -7.077 8.601 6.099
90 HZ1 LYS 13 3HZ LYS 13 -8.559 6.821 6.824
91 HZ2 LYS 13 1HZ LYS 13 -7.837 5.753 5.727
92 HZ3 LYS 13 2HZ LYS 13 -8.698 7.095 5.161
93 H ILE 14 H ILE 14 -6.618 4.064 3.133
94 HA ILE 14 HA ILE 14 -3.887 4.619 3.642
95 HB ILE 14 HB ILE 14 -5.450 2.054 3.950
96 HG12 ILE 14 2HG1 ILE 14 -5.022 2.806 6.443
97 HG13 ILE 14 1HG1 ILE 14 -4.850 4.398 5.709
98 HG21 ILE 14 1HG2 ILE 14 -2.678 2.745 4.912
99 HG22 ILE 14 2HG2 ILE 14 -3.111 1.505 3.735
100 HG23 ILE 14 3HG2 ILE 14 -3.600 1.330 5.420
101 HD11 ILE 14 3HD1 ILE 14 -7.256 2.611 5.458
102 HD12 ILE 14 1HD1 ILE 14 -7.080 4.227 4.779
103 HD13 ILE 14 2HD1 ILE 14 -7.109 4.006 6.527
104 H ALA 15 H ALA 15 -5.546 2.600 1.266
105 HA ALA 15 HA ALA 15 -3.375 1.175 0.273
106 HB1 ALA 15 1HB ALA 15 -5.747 2.205 -1.278
107 HB2 ALA 15 2HB ALA 15 -5.697 0.708 -0.346
108 HB3 ALA 15 3HB ALA 15 -4.672 0.895 -1.769
109 H SER 16 H SER 16 -4.693 4.253 -0.906
110 HA SER 16 HA SER 16 -2.706 4.710 -2.845
111 HB2 SER 16 2HB SER 16 -4.460 6.700 -1.387
112 HB3 SER 16 1HB SER 16 -3.529 7.041 -2.845
113 HG SER 16 HG SER 16 -5.101 4.829 -3.098
114 H ASN 17 H ASN 17 -2.892 5.482 0.566
115 HA ASN 17 HA ASN 17 -0.713 7.307 0.601
116 HB2 ASN 17 2HB ASN 17 -2.276 5.861 2.698
117 HB3 ASN 17 1HB ASN 17 -0.841 6.772 3.138
118 HD21 ASN 17 1HD2 ASN 17 -2.985 7.674 0.531
119 HD22 ASN 17 2HD2 ASN 17 -3.616 9.094 1.284
120 H VAL 18 H VAL 18 -0.946 3.820 1.252
121 HA VAL 18 HA VAL 18 1.667 3.564 2.297
122 HB VAL 18 HB VAL 18 1.448 1.151 1.806
123 HG11 VAL 18 1HG1 VAL 18 0.591 1.967 3.889
124 HG12 VAL 18 2HG1 VAL 18 -0.528 0.759 3.258
125 HG13 VAL 18 3HG1 VAL 18 -0.913 2.475 3.122
126 HG21 VAL 18 3HG2 VAL 18 -0.543 0.244 0.823
127 HG22 VAL 18 1HG2 VAL 18 0.165 1.407 -0.299
128 HG23 VAL 18 2HG2 VAL 18 -1.243 1.854 0.662
129 H GLN 19 H GLN 19 0.402 3.443 -0.998
130 HA GLN 19 HA GLN 19 2.634 2.424 -2.321
131 HB2 GLN 19 2HB GLN 19 0.723 4.580 -3.248
132 HB3 GLN 19 1HB GLN 19 1.809 3.671 -4.285
133 HG2 GLN 19 2HG GLN 19 -0.455 2.519 -2.676
134 HG3 GLN 19 1HG GLN 19 -0.469 2.823 -4.411
135 HE21 GLN 19 1HE2 GLN 19 0.748 1.504 -5.774
136 HE22 GLN 19 2HE2 GLN 19 1.349 -0.033 -5.263
137 H LYS 20 H LYS 20 1.962 5.628 -1.062
138 HA LYS 20 HA LYS 20 4.122 6.981 -2.272
139 HB2 LYS 20 2HB LYS 20 3.208 7.747 0.471
140 HB3 LYS 20 1HB LYS 20 3.604 8.775 -0.898
141 HG2 LYS 20 2HG LYS 20 1.104 7.127 -0.577
142 HG3 LYS 20 1HG LYS 20 1.237 8.875 -0.389
143 HD2 LYS 20 2HD LYS 20 1.863 7.396 -2.940
144 HD3 LYS 20 1HD LYS 20 0.301 8.134 -2.580
145 HE2 LYS 20 2HE LYS 20 2.954 9.561 -2.768
146 HE3 LYS 20 1HE LYS 20 1.657 9.611 -3.961
147 HZ1 LYS 20 3HZ LYS 20 1.493 10.622 -1.172
148 HZ2 LYS 20 1HZ LYS 20 0.231 10.652 -2.301
149 HZ3 LYS 20 2HZ LYS 20 1.625 11.571 -2.566
150 H LYS 21 H LYS 21 3.742 5.143 0.690
151 HA LYS 21 HA LYS 21 6.361 5.643 1.705
152 HB2 LYS 21 2HB LYS 21 5.543 4.583 3.516
153 HB3 LYS 21 1HB LYS 21 4.015 4.533 2.663
154 HG2 LYS 21 2HG LYS 21 5.053 2.317 1.662
155 HG3 LYS 21 1HG LYS 21 5.980 2.372 3.163
156 HD2 LYS 21 2HD LYS 21 2.984 2.578 3.001
157 HD3 LYS 21 1HD LYS 21 3.854 1.076 3.316
158 HE2 LYS 21 2HE LYS 21 3.942 3.573 5.009
159 HE3 LYS 21 1HE LYS 21 3.058 2.097 5.391
160 HZ1 LYS 21 3HZ LYS 21 6.007 2.323 5.110
161 HZ2 LYS 21 1HZ LYS 21 5.159 0.906 5.478
162 HZ3 LYS 21 2HZ LYS 21 5.162 2.197 6.570
163 H LEU 22 H LEU 22 4.905 3.374 -0.456
164 HA LEU 22 HA LEU 22 6.949 1.419 -0.486
165 HB2 LEU 22 2HB LEU 22 4.980 0.562 -1.254
166 HB3 LEU 22 1HB LEU 22 4.511 2.050 -2.045
167 HG LEU 22 HG LEU 22 6.094 1.546 -3.870
168 HD11 LEU 22 1HD1 LEU 22 7.086 -0.651 -4.062
169 HD12 LEU 22 2HD1 LEU 22 6.380 -1.137 -2.522
170 HD13 LEU 22 3HD1 LEU 22 7.628 0.108 -2.566
171 HD21 LEU 22 3HD2 LEU 22 4.759 -0.250 -4.872
172 HD22 LEU 22 1HD2 LEU 22 3.752 0.969 -4.090
173 HD23 LEU 22 2HD2 LEU 22 4.039 -0.579 -3.296
174 H THR 23 H THR 23 6.351 4.350 -2.362
175 HA THR 23 HA THR 23 8.313 3.865 -4.348
176 HB THR 23 HB THR 23 6.396 5.689 -4.237
177 HG1 THR 23 1HG THR 23 8.400 5.225 -5.798
178 HG21 THR 23 3HG2 THR 23 8.793 7.314 -3.391
179 HG22 THR 23 1HG2 THR 23 7.486 6.862 -2.299
180 HG23 THR 23 2HG2 THR 23 7.154 7.890 -3.691
181 H ARG 24 H ARG 24 8.423 5.193 -1.124
182 HA ARG 24 HA ARG 24 10.966 6.391 -1.243
183 HB2 ARG 24 2HB ARG 24 9.554 5.120 1.112
184 HB3 ARG 24 1HB ARG 24 10.956 6.175 1.223
185 HG2 ARG 24 2HG ARG 24 9.659 8.006 0.262
186 HG3 ARG 24 1HG ARG 24 8.253 6.947 0.142
187 HD2 ARG 24 2HD ARG 24 8.270 6.662 2.576
188 HD3 ARG 24 1HD ARG 24 9.668 7.731 2.688
189 HE ARG 24 HE ARG 24 7.872 9.278 1.427
190 HH11 ARG 24 1HH1 ARG 24 7.651 7.315 4.298
191 HH12 ARG 24 2HH1 ARG 24 6.475 8.333 5.059
192 HH21 ARG 24 1HH2 ARG 24 6.323 10.624 2.422
193 HH22 ARG 24 2HH2 ARG 24 5.719 10.214 3.993
194 H ALA 25 H ALA 25 9.895 3.096 -0.789
195 HA ALA 25 HA ALA 25 12.270 1.946 0.152
196 HB1 ALA 25 1HB ALA 25 11.391 -0.166 -0.675
197 HB2 ALA 25 2HB ALA 25 10.209 0.692 -1.662
198 HB3 ALA 25 3HB ALA 25 10.111 0.769 0.098
199 H GLN 26 H GLN 26 11.154 2.662 -3.116
200 HA GLN 26 HA GLN 26 13.213 1.408 -4.543
201 HB2 GLN 26 2HB GLN 26 11.170 3.462 -5.105
202 HB3 GLN 26 1HB GLN 26 12.601 3.547 -6.123
203 HG2 GLN 26 2HG GLN 26 11.389 2.130 -7.387
204 HG3 GLN 26 1HG GLN 26 12.133 0.939 -6.325
205 HE21 GLN 26 1HE2 GLN 26 10.480 1.750 -4.042
206 HE22 GLN 26 2HE2 GLN 26 8.912 1.094 -4.339
207 H GLU 27 H GLU 27 12.931 4.731 -3.325
208 HA GLU 27 HA GLU 27 15.447 5.572 -4.318
209 HB2 GLU 27 2HB GLU 27 13.896 6.711 -1.990
210 HB3 GLU 27 1HB GLU 27 15.184 7.511 -2.883
211 HG2 GLU 27 2HG GLU 27 12.519 6.687 -4.013
212 HG3 GLU 27 1HG GLU 27 12.981 8.322 -3.539
213 H LYS 28 H LYS 28 14.445 3.915 -1.423
214 HA LYS 28 HA LYS 28 16.797 4.410 0.090
215 HB2 LYS 28 2HB LYS 28 14.632 3.769 1.092
216 HB3 LYS 28 1HB LYS 28 14.816 2.162 0.398
217 HG2 LYS 28 2HG LYS 28 16.931 1.918 1.679
218 HG3 LYS 28 1HG LYS 28 16.575 3.459 2.463
219 HD2 LYS 28 2HD LYS 28 14.472 2.537 3.308
220 HD3 LYS 28 1HD LYS 28 14.842 0.994 2.538
221 HE2 LYS 28 2HE LYS 28 16.901 0.859 3.918
222 HE3 LYS 28 1HE LYS 28 16.398 2.331 4.748
223 HZ1 LYS 28 3HZ LYS 28 14.925 -0.248 4.712
224 HZ2 LYS 28 1HZ LYS 28 14.381 1.170 5.460
225 HZ3 LYS 28 2HZ LYS 28 15.778 0.398 6.023
226 H VAL 29 H VAL 29 15.770 1.692 -1.970
227 HA VAL 29 HA VAL 29 17.912 -0.007 -1.367
228 HB VAL 29 HB VAL 29 17.501 -1.117 -3.521
229 HG11 VAL 29 1HG1 VAL 29 14.978 -0.385 -2.032
230 HG12 VAL 29 2HG1 VAL 29 16.111 -1.665 -1.589
231 HG13 VAL 29 3HG1 VAL 29 15.186 -1.785 -3.086
232 HG21 VAL 29 3HG2 VAL 29 15.398 0.965 -4.033
233 HG22 VAL 29 1HG2 VAL 29 15.917 -0.339 -5.099
234 HG23 VAL 29 2HG2 VAL 29 17.003 1.010 -4.762
235 H LEU 30 H LEU 30 17.676 2.739 -3.513
236 HA LEU 30 HA LEU 30 19.939 2.333 -5.081
237 HB2 LEU 30 2HB LEU 30 18.936 4.978 -4.020
238 HB3 LEU 30 1HB LEU 30 19.967 4.747 -5.417
239 HG LEU 30 HG LEU 30 17.164 3.659 -5.251
240 HD11 LEU 30 1HD1 LEU 30 17.049 6.071 -5.058
241 HD12 LEU 30 2HD1 LEU 30 16.523 5.569 -6.667
242 HD13 LEU 30 3HD1 LEU 30 18.132 6.255 -6.439
243 HD21 LEU 30 3HD2 LEU 30 17.376 3.493 -7.673
244 HD22 LEU 30 1HD2 LEU 30 18.641 2.566 -6.865
245 HD23 LEU 30 2HD2 LEU 30 19.017 4.133 -7.582
246 H GLN 31 H GLN 31 19.591 3.389 -1.779
247 HA GLN 31 HA GLN 31 22.121 4.499 -1.345
248 HB2 GLN 31 2HB GLN 31 20.185 3.074 0.481
249 HB3 GLN 31 1HB GLN 31 21.713 3.720 1.070
250 HG2 GLN 31 2HG GLN 31 21.033 5.955 0.283
251 HG3 GLN 31 1HG GLN 31 19.482 5.281 -0.212
252 HE21 GLN 31 1HE2 GLN 31 17.999 4.649 1.357
253 HE22 GLN 31 2HE2 GLN 31 18.127 5.161 3.002
254 H LYS 32 H LYS 32 21.007 1.182 -1.425
255 HA LYS 32 HA LYS 32 23.477 0.064 -0.477
256 HB2 LYS 32 2HB LYS 32 21.067 -1.186 -1.806
257 HB3 LYS 32 1HB LYS 32 22.451 -2.105 -1.230
258 HG2 LYS 32 2HG LYS 32 20.904 -2.305 0.483
259 HG3 LYS 32 1HG LYS 32 21.973 -1.018 1.044
260 HD2 LYS 32 2HD LYS 32 20.380 0.662 0.348
261 HD3 LYS 32 1HD LYS 32 19.337 -0.575 -0.358
262 HE2 LYS 32 2HE LYS 32 20.033 -0.273 2.562
263 HE3 LYS 32 1HE LYS 32 18.491 0.136 1.810
264 HZ1 LYS 32 3HZ LYS 32 19.680 -2.581 1.974
265 HZ2 LYS 32 1HZ LYS 32 18.212 -2.199 1.222
266 HZ3 LYS 32 2HZ LYS 32 18.380 -2.009 2.894
267 H LEU 33 H LEU 33 21.906 0.532 -3.600
268 HA LEU 33 HA LEU 33 24.019 -0.751 -5.081
269 HB2 LEU 33 2HB LEU 33 21.603 0.857 -5.894
270 HB3 LEU 33 1HB LEU 33 22.774 0.276 -7.057
271 HG LEU 33 HG LEU 33 20.829 -1.162 -6.994
272 HD11 LEU 33 1HD1 LEU 33 23.248 -2.495 -5.789
273 HD12 LEU 33 2HD1 LEU 33 22.984 -2.174 -7.504
274 HD13 LEU 33 3HD1 LEU 33 21.938 -3.306 -6.647
275 HD21 LEU 33 3HD2 LEU 33 20.303 -2.502 -5.007
276 HD22 LEU 33 1HD2 LEU 33 20.092 -0.775 -4.721
277 HD23 LEU 33 2HD2 LEU 33 21.516 -1.605 -4.094
278 H TYR 34 H TYR 34 22.697 2.432 -5.786
279 HA TYR 34 HA TYR 34 25.142 3.465 -6.731
280 HB2 TYR 34 2HB TYR 34 22.630 4.913 -5.866
281 HB3 TYR 34 1HB TYR 34 23.951 5.636 -6.777
282 HD1 TYR 34 1HD TYR 34 21.249 3.100 -6.923
283 HD2 TYR 34 2HD TYR 34 24.124 5.345 -9.124
284 HE1 TYR 34 1HE TYR 34 20.198 2.382 -9.024
285 HE2 TYR 34 2HE TYR 34 23.075 4.631 -11.229
286 HH TYR 34 HH TYR 34 21.664 2.786 -12.052
Start of MODEL 6
1 H1 MET 1 1HT MET 1 -11.635 -7.910 -3.378
2 H2 MET 1 2HT MET 1 -12.254 -8.849 -2.115
3 H3 MET 1 3HT MET 1 -10.593 -8.548 -2.209
4 HA MET 1 HA MET 1 -11.625 -7.194 -0.505
5 HB2 MET 1 2HB MET 1 -10.741 -5.588 -2.912
6 HB3 MET 1 1HB MET 1 -10.747 -5.031 -1.245
7 HG2 MET 1 2HG MET 1 -9.187 -7.465 -1.964
8 HG3 MET 1 1HG MET 1 -8.550 -5.873 -2.369
9 HE1 MET 1 2HE MET 1 -9.219 -8.511 0.290
10 HE2 MET 1 3HE MET 1 -10.490 -7.406 0.814
11 HE3 MET 1 1HE MET 1 -9.071 -7.661 1.828
12 H ALA 2 H ALA 2 -13.862 -7.383 -0.282
13 HA ALA 2 HA ALA 2 -15.652 -6.119 -2.138
14 HB1 ALA 2 1HB ALA 2 -17.412 -6.823 -0.618
15 HB2 ALA 2 2HB ALA 2 -16.213 -7.254 0.601
16 HB3 ALA 2 3HB ALA 2 -16.291 -8.152 -0.916
17 H GLU 3 H GLU 3 -17.518 -5.027 -0.336
18 HA GLU 3 HA GLU 3 -16.395 -2.408 -0.008
19 HB2 GLU 3 2HB GLU 3 -18.717 -2.738 -0.757
20 HB3 GLU 3 1HB GLU 3 -19.109 -3.474 0.790
21 HG2 GLU 3 2HG GLU 3 -18.620 -1.372 1.923
22 HG3 GLU 3 1HG GLU 3 -18.206 -0.633 0.377
23 H MET 4 H MET 4 -17.090 -5.124 2.033
24 HA MET 4 HA MET 4 -16.879 -5.521 4.261
25 HB2 MET 4 2HB MET 4 -14.578 -3.623 3.800
26 HB3 MET 4 1HB MET 4 -14.804 -4.536 5.288
27 HG2 MET 4 2HG MET 4 -14.782 -6.620 3.883
28 HG3 MET 4 1HG MET 4 -14.276 -5.608 2.532
29 HE1 MET 4 3HE MET 4 -12.120 -7.255 2.281
30 HE2 MET 4 1HE MET 4 -12.707 -8.172 3.670
31 HE3 MET 4 2HE MET 4 -11.037 -7.609 3.627
32 H GLY 5 H GLY 5 -18.589 -3.235 3.441
33 HA2 GLY 5 2HA GLY 5 -20.063 -1.981 4.716
34 HA3 GLY 5 1HA GLY 5 -19.022 -2.191 6.110
35 H SER 6 H SER 6 -16.737 -1.066 5.590
36 HA SER 6 HA SER 6 -16.963 1.404 4.143
37 HB2 SER 6 2HB SER 6 -18.140 1.758 6.425
38 HB3 SER 6 1HB SER 6 -16.511 1.694 7.103
39 HG SER 6 HG SER 6 -15.965 3.500 5.986
40 H LYS 7 H LYS 7 -15.306 -1.119 5.301
41 HA LYS 7 HA LYS 7 -12.762 0.131 5.778
42 HB2 LYS 7 2HB LYS 7 -12.811 -1.812 6.973
43 HB3 LYS 7 1HB LYS 7 -13.903 -2.599 5.846
44 HG2 LYS 7 2HG LYS 7 -11.874 -3.791 5.775
45 HG3 LYS 7 1HG LYS 7 -11.963 -2.844 4.290
46 HD2 LYS 7 2HD LYS 7 -10.521 -1.126 5.374
47 HD3 LYS 7 1HD LYS 7 -10.355 -2.202 6.763
48 HE2 LYS 7 2HE LYS 7 -9.318 -3.891 5.364
49 HE3 LYS 7 1HE LYS 7 -9.556 -2.885 3.935
50 HZ1 LYS 7 3HZ LYS 7 -8.081 -1.231 4.907
51 HZ2 LYS 7 1HZ LYS 7 -7.296 -2.722 4.754
52 HZ3 LYS 7 2HZ LYS 7 -7.846 -2.207 6.268
53 H GLY 8 H GLY 8 -14.586 -1.128 3.130
54 HA2 GLY 8 2HA GLY 8 -12.384 -1.561 1.351
55 HA3 GLY 8 1HA GLY 8 -14.077 -1.421 0.896
56 H VAL 9 H VAL 9 -14.685 1.095 1.812
57 HA VAL 9 HA VAL 9 -13.502 2.723 -0.226
58 HB VAL 9 HB VAL 9 -14.975 4.517 0.694
59 HG11 VAL 9 1HG1 VAL 9 -16.276 1.865 0.095
60 HG12 VAL 9 2HG1 VAL 9 -15.766 3.075 -1.081
61 HG13 VAL 9 3HG1 VAL 9 -17.085 3.430 0.033
62 HG21 VAL 9 3HG2 VAL 9 -15.821 2.341 2.605
63 HG22 VAL 9 1HG2 VAL 9 -16.649 3.883 2.385
64 HG23 VAL 9 2HG2 VAL 9 -15.005 3.848 3.026
65 H THR 10 H THR 10 -13.378 2.630 3.306
66 HA THR 10 HA THR 10 -11.911 4.984 3.719
67 HB THR 10 HB THR 10 -12.075 2.449 5.345
68 HG1 THR 10 1HG THR 10 -13.922 4.010 5.018
69 HG21 THR 10 3HG2 THR 10 -10.807 5.091 6.087
70 HG22 THR 10 1HG2 THR 10 -9.979 3.544 5.906
71 HG23 THR 10 2HG2 THR 10 -11.139 3.776 7.214
72 H ALA 11 H ALA 11 -10.780 1.619 3.456
73 HA ALA 11 HA ALA 11 -8.050 2.124 3.731
74 HB1 ALA 11 1HB ALA 11 -9.067 -0.117 3.845
75 HB2 ALA 11 2HB ALA 11 -7.693 -0.056 2.741
76 HB3 ALA 11 3HB ALA 11 -9.338 -0.065 2.103
77 H GLY 12 H GLY 12 -10.177 2.884 1.187
78 HA2 GLY 12 2HA GLY 12 -8.327 2.814 -0.987
79 HA3 GLY 12 1HA GLY 12 -9.850 3.694 -0.950
80 H LYS 13 H LYS 13 -9.242 5.231 1.387
81 HA LYS 13 HA LYS 13 -7.909 7.421 0.206
82 HB2 LYS 13 2HB LYS 13 -9.552 7.975 1.770
83 HB3 LYS 13 1HB LYS 13 -8.985 6.789 2.933
84 HG2 LYS 13 2HG LYS 13 -6.985 8.794 2.382
85 HG3 LYS 13 1HG LYS 13 -8.498 9.491 2.958
86 HD2 LYS 13 2HD LYS 13 -8.176 7.336 4.612
87 HD3 LYS 13 1HD LYS 13 -6.515 7.886 4.377
88 HE2 LYS 13 2HE LYS 13 -7.133 10.123 5.078
89 HE3 LYS 13 1HE LYS 13 -8.819 9.629 5.227
90 HZ1 LYS 13 3HZ LYS 13 -8.195 8.113 6.990
91 HZ2 LYS 13 1HZ LYS 13 -7.697 9.684 7.374
92 HZ3 LYS 13 2HZ LYS 13 -6.568 8.545 6.834
93 H ILE 14 H ILE 14 -6.988 5.137 2.764
94 HA ILE 14 HA ILE 14 -4.433 6.245 3.264
95 HB ILE 14 HB ILE 14 -5.489 3.456 3.761
96 HG12 ILE 14 2HG1 ILE 14 -5.306 4.406 6.188
97 HG13 ILE 14 1HG1 ILE 14 -5.316 5.973 5.388
98 HG21 ILE 14 1HG2 ILE 14 -3.089 3.330 3.606
99 HG22 ILE 14 2HG2 ILE 14 -3.567 3.205 5.300
100 HG23 ILE 14 3HG2 ILE 14 -2.911 4.719 4.679
101 HD11 ILE 14 3HD1 ILE 14 -7.453 3.868 5.160
102 HD12 ILE 14 1HD1 ILE 14 -7.469 5.449 4.380
103 HD13 ILE 14 2HD1 ILE 14 -7.536 5.333 6.138
104 H ALA 15 H ALA 15 -5.610 3.874 0.954
105 HA ALA 15 HA ALA 15 -3.252 2.671 0.158
106 HB1 ALA 15 1HB ALA 15 -5.573 3.450 -1.602
107 HB2 ALA 15 2HB ALA 15 -5.457 1.977 -0.638
108 HB3 ALA 15 3HB ALA 15 -4.344 2.243 -1.980
109 H SER 16 H SER 16 -4.685 5.673 -1.076
110 HA SER 16 HA SER 16 -2.655 6.249 -2.929
111 HB2 SER 16 2HB SER 16 -4.835 7.378 -2.980
112 HB3 SER 16 1HB SER 16 -4.474 8.164 -1.443
113 HG SER 16 HG SER 16 -2.959 9.400 -2.416
114 H ASN 17 H ASN 17 -2.974 6.858 0.492
115 HA ASN 17 HA ASN 17 -0.825 8.699 0.732
116 HB2 ASN 17 2HB ASN 17 -2.469 7.098 2.646
117 HB3 ASN 17 1HB ASN 17 -1.051 7.956 3.225
118 HD21 ASN 17 1HD2 ASN 17 -3.868 8.364 3.838
119 HD22 ASN 17 2HD2 ASN 17 -4.221 10.000 3.413
120 H VAL 18 H VAL 18 -1.051 5.176 1.167
121 HA VAL 18 HA VAL 18 1.536 4.865 2.252
122 HB VAL 18 HB VAL 18 1.334 2.504 1.745
123 HG11 VAL 18 1HG1 VAL 18 -1.216 3.740 2.759
124 HG12 VAL 18 2HG1 VAL 18 0.198 3.291 3.711
125 HG13 VAL 18 3HG1 VAL 18 -0.781 2.042 2.943
126 HG21 VAL 18 3HG2 VAL 18 0.274 2.864 -0.513
127 HG22 VAL 18 1HG2 VAL 18 -1.252 3.092 0.340
128 HG23 VAL 18 2HG2 VAL 18 -0.401 1.552 0.454
129 H GLN 19 H GLN 19 0.360 5.139 -1.023
130 HA GLN 19 HA GLN 19 2.474 4.065 -2.458
131 HB2 GLN 19 2HB GLN 19 0.779 6.483 -3.096
132 HB3 GLN 19 1HB GLN 19 1.824 5.669 -4.246
133 HG2 GLN 19 2HG GLN 19 -0.497 4.383 -2.836
134 HG3 GLN 19 1HG GLN 19 -0.545 5.044 -4.469
135 HE21 GLN 19 1HE2 GLN 19 0.586 2.472 -2.444
136 HE22 GLN 19 2HE2 GLN 19 1.103 1.420 -3.713
137 H LYS 20 H LYS 20 2.134 7.248 -0.976
138 HA LYS 20 HA LYS 20 4.431 8.439 -2.058
139 HB2 LYS 20 2HB LYS 20 3.653 9.110 0.738
140 HB3 LYS 20 1HB LYS 20 4.071 10.176 -0.592
141 HG2 LYS 20 2HG LYS 20 1.460 8.722 -0.227
142 HG3 LYS 20 1HG LYS 20 1.748 10.441 0.025
143 HD2 LYS 20 2HD LYS 20 2.048 8.990 -2.602
144 HD3 LYS 20 1HD LYS 20 0.658 9.968 -2.129
145 HE2 LYS 20 2HE LYS 20 3.499 10.945 -2.432
146 HE3 LYS 20 1HE LYS 20 2.181 11.227 -3.568
147 HZ1 LYS 20 3HZ LYS 20 2.539 13.135 -2.133
148 HZ2 LYS 20 1HZ LYS 20 2.270 12.185 -0.757
149 HZ3 LYS 20 2HZ LYS 20 1.012 12.463 -1.855
150 H LYS 21 H LYS 21 3.929 6.390 0.748
151 HA LYS 21 HA LYS 21 6.566 6.672 1.785
152 HB2 LYS 21 2HB LYS 21 5.292 5.928 3.488
153 HB3 LYS 21 1HB LYS 21 4.141 5.146 2.419
154 HG2 LYS 21 2HG LYS 21 6.805 3.878 2.780
155 HG3 LYS 21 1HG LYS 21 5.635 3.777 4.097
156 HD2 LYS 21 2HD LYS 21 4.805 3.115 1.304
157 HD3 LYS 21 1HD LYS 21 5.680 1.922 2.269
158 HE2 LYS 21 2HE LYS 21 3.958 2.174 4.039
159 HE3 LYS 21 1HE LYS 21 3.065 3.254 2.968
160 HZ1 LYS 21 3HZ LYS 21 3.712 0.407 2.421
161 HZ2 LYS 21 1HZ LYS 21 2.880 1.441 1.371
162 HZ3 LYS 21 2HZ LYS 21 2.194 1.015 2.857
163 H LEU 22 H LEU 22 5.054 4.534 -0.533
164 HA LEU 22 HA LEU 22 7.066 2.547 -0.574
165 HB2 LEU 22 2HB LEU 22 5.081 3.364 -2.688
166 HB3 LEU 22 1HB LEU 22 6.093 1.935 -2.778
167 HG LEU 22 HG LEU 22 4.010 2.471 -0.668
168 HD11 LEU 22 1HD1 LEU 22 2.747 0.691 -1.753
169 HD12 LEU 22 2HD1 LEU 22 3.993 0.550 -2.993
170 HD13 LEU 22 3HD1 LEU 22 3.037 2.027 -2.867
171 HD21 LEU 22 3HD2 LEU 22 5.921 1.128 0.130
172 HD22 LEU 22 1HD2 LEU 22 5.651 -0.007 -1.192
173 HD23 LEU 22 2HD2 LEU 22 4.425 0.195 0.059
174 H THR 23 H THR 23 6.691 5.605 -2.245
175 HA THR 23 HA THR 23 8.707 5.193 -4.181
176 HB THR 23 HB THR 23 6.920 7.125 -3.970
177 HG1 THR 23 1HG THR 23 7.939 7.461 -5.788
178 HG21 THR 23 3HG2 THR 23 7.991 7.993 -1.856
179 HG22 THR 23 1HG2 THR 23 7.753 9.193 -3.127
180 HG23 THR 23 2HG2 THR 23 9.354 8.505 -2.849
181 H ARG 24 H ARG 24 8.762 6.212 -0.838
182 HA ARG 24 HA ARG 24 11.428 7.158 -0.769
183 HB2 ARG 24 2HB ARG 24 9.609 6.078 1.378
184 HB3 ARG 24 1HB ARG 24 11.218 6.709 1.710
185 HG2 ARG 24 2HG ARG 24 10.578 8.876 0.841
186 HG3 ARG 24 1HG ARG 24 8.980 8.255 0.422
187 HD2 ARG 24 2HD ARG 24 8.887 9.489 2.503
188 HD3 ARG 24 1HD ARG 24 8.559 7.781 2.784
189 HE ARG 24 HE ARG 24 11.250 8.861 3.246
190 HH11 ARG 24 1HH1 ARG 24 8.350 7.331 4.435
191 HH12 ARG 24 2HH1 ARG 24 9.048 6.910 5.963
192 HH21 ARG 24 1HH2 ARG 24 12.171 8.309 5.254
193 HH22 ARG 24 2HH2 ARG 24 11.218 7.467 6.429
194 H ALA 25 H ALA 25 9.945 4.021 -0.137
195 HA ALA 25 HA ALA 25 12.211 2.620 0.702
196 HB1 ALA 25 1HB ALA 25 10.980 0.598 0.069
197 HB2 ALA 25 2HB ALA 25 9.817 1.581 -0.819
198 HB3 ALA 25 3HB ALA 25 9.944 1.734 0.933
199 H GLN 26 H GLN 26 10.977 3.389 -2.490
200 HA GLN 26 HA GLN 26 12.636 1.727 -4.015
201 HB2 GLN 26 2HB GLN 26 10.986 4.130 -4.501
202 HB3 GLN 26 1HB GLN 26 12.281 3.851 -5.659
203 HG2 GLN 26 2HG GLN 26 11.401 1.808 -6.342
204 HG3 GLN 26 1HG GLN 26 10.381 1.665 -4.912
205 HE21 GLN 26 1HE2 GLN 26 8.463 2.852 -4.804
206 HE22 GLN 26 2HE2 GLN 26 7.735 3.542 -6.211
207 H GLU 27 H GLU 27 13.095 5.066 -2.896
208 HA GLU 27 HA GLU 27 15.623 5.389 -4.127
209 HB2 GLU 27 2HB GLU 27 14.613 6.827 -1.675
210 HB3 GLU 27 1HB GLU 27 15.868 7.363 -2.785
211 HG2 GLU 27 2HG GLU 27 14.226 7.592 -4.560
212 HG3 GLU 27 1HG GLU 27 12.960 7.012 -3.478
213 H LYS 28 H LYS 28 14.568 4.018 -1.098
214 HA LYS 28 HA LYS 28 17.130 3.996 0.151
215 HB2 LYS 28 2HB LYS 28 15.024 3.915 1.419
216 HB3 LYS 28 1HB LYS 28 14.703 2.315 0.762
217 HG2 LYS 28 2HG LYS 28 16.217 1.306 2.097
218 HG3 LYS 28 1HG LYS 28 17.304 2.696 2.101
219 HD2 LYS 28 2HD LYS 28 14.659 2.807 3.499
220 HD3 LYS 28 1HD LYS 28 16.060 2.072 4.279
221 HE2 LYS 28 2HE LYS 28 16.002 4.329 4.996
222 HE3 LYS 28 1HE LYS 28 17.300 4.216 3.808
223 HZ1 LYS 28 3HZ LYS 28 15.867 5.173 2.152
224 HZ2 LYS 28 1HZ LYS 28 15.892 6.187 3.506
225 HZ3 LYS 28 2HZ LYS 28 14.557 5.189 3.222
226 H VAL 29 H VAL 29 15.271 1.560 -1.657
227 HA VAL 29 HA VAL 29 17.001 -0.592 -1.216
228 HB VAL 29 HB VAL 29 16.088 -1.563 -3.332
229 HG11 VAL 29 1HG1 VAL 29 14.996 -1.953 -1.201
230 HG12 VAL 29 2HG1 VAL 29 13.792 -1.788 -2.479
231 HG13 VAL 29 3HG1 VAL 29 14.089 -0.450 -1.368
232 HG21 VAL 29 3HG2 VAL 29 14.317 -0.433 -4.513
233 HG22 VAL 29 1HG2 VAL 29 15.764 0.575 -4.528
234 HG23 VAL 29 2HG2 VAL 29 14.433 0.954 -3.432
235 H LEU 30 H LEU 30 17.181 2.087 -3.445
236 HA LEU 30 HA LEU 30 19.090 1.134 -5.239
237 HB2 LEU 30 2HB LEU 30 18.855 3.943 -4.147
238 HB3 LEU 30 1HB LEU 30 19.685 3.481 -5.619
239 HG LEU 30 HG LEU 30 16.734 3.065 -5.213
240 HD11 LEU 30 1HD1 LEU 30 16.399 5.090 -6.544
241 HD12 LEU 30 2HD1 LEU 30 18.137 5.386 -6.528
242 HD13 LEU 30 3HD1 LEU 30 17.218 5.447 -5.022
243 HD21 LEU 30 3HD2 LEU 30 18.454 3.134 -7.686
244 HD22 LEU 30 1HD2 LEU 30 16.707 2.893 -7.644
245 HD23 LEU 30 2HD2 LEU 30 17.781 1.687 -6.933
246 H GLN 31 H GLN 31 19.416 2.420 -1.991
247 HA GLN 31 HA GLN 31 22.211 2.744 -1.947
248 HB2 GLN 31 2HB GLN 31 20.252 2.170 0.285
249 HB3 GLN 31 1HB GLN 31 21.943 2.586 0.543
250 HG2 GLN 31 2HG GLN 31 21.572 4.734 -0.579
251 HG3 GLN 31 1HG GLN 31 19.872 4.317 -0.788
252 HE21 GLN 31 1HE2 GLN 31 18.513 4.286 1.005
253 HE22 GLN 31 2HE2 GLN 31 18.943 5.048 2.495
254 H LYS 32 H LYS 32 20.165 -0.046 -1.605
255 HA LYS 32 HA LYS 32 22.152 -1.764 -0.469
256 HB2 LYS 32 2HB LYS 32 19.630 -2.504 -1.966
257 HB3 LYS 32 1HB LYS 32 20.570 -3.561 -0.922
258 HG2 LYS 32 2HG LYS 32 19.963 -2.318 1.016
259 HG3 LYS 32 1HG LYS 32 19.227 -1.046 0.038
260 HD2 LYS 32 2HD LYS 32 17.478 -2.421 0.943
261 HD3 LYS 32 1HD LYS 32 17.583 -2.719 -0.792
262 HE2 LYS 32 2HE LYS 32 17.304 -4.807 0.431
263 HE3 LYS 32 1HE LYS 32 18.876 -4.752 -0.364
264 HZ1 LYS 32 3HZ LYS 32 18.367 -4.192 2.507
265 HZ2 LYS 32 1HZ LYS 32 19.877 -4.118 1.748
266 HZ3 LYS 32 2HZ LYS 32 19.067 -5.598 1.882
267 H LEU 33 H LEU 33 20.844 -1.252 -3.721
268 HA LEU 33 HA LEU 33 22.644 -3.161 -4.919
269 HB2 LEU 33 2HB LEU 33 21.091 -1.104 -6.446
270 HB3 LEU 33 1HB LEU 33 21.547 -2.723 -6.937
271 HG LEU 33 HG LEU 33 19.458 -2.046 -4.872
272 HD11 LEU 33 1HD1 LEU 33 18.719 -1.424 -7.082
273 HD12 LEU 33 2HD1 LEU 33 17.872 -2.881 -6.561
274 HD13 LEU 33 3HD1 LEU 33 19.197 -2.998 -7.718
275 HD21 LEU 33 3HD2 LEU 33 18.897 -4.438 -5.007
276 HD22 LEU 33 1HD2 LEU 33 20.528 -4.170 -4.394
277 HD23 LEU 33 2HD2 LEU 33 20.288 -4.690 -6.060
278 H TYR 34 H TYR 34 22.095 0.249 -5.745
279 HA TYR 34 HA TYR 34 24.656 0.600 -6.878
280 HB2 TYR 34 2HB TYR 34 22.704 2.690 -5.890
281 HB3 TYR 34 1HB TYR 34 24.068 2.984 -6.964
282 HD1 TYR 34 1HD TYR 34 23.997 2.271 -9.289
283 HD2 TYR 34 2HD TYR 34 20.682 1.607 -6.699
284 HE1 TYR 34 1HE TYR 34 22.575 1.802 -11.238
285 HE2 TYR 34 2HE TYR 34 19.254 1.136 -8.645
286 HH TYR 34 HH TYR 34 20.506 0.616 -11.767
Start of MODEL 7
1 H1 MET 1 1HT MET 1 -9.676 -5.936 13.280
2 H2 MET 1 2HT MET 1 -10.749 -7.114 13.845
3 H3 MET 1 3HT MET 1 -9.816 -6.227 14.941
4 HA MET 1 HA MET 1 -12.086 -5.445 14.928
5 HB2 MET 1 2HB MET 1 -10.258 -3.857 15.371
6 HB3 MET 1 1HB MET 1 -10.143 -3.509 13.652
7 HG2 MET 1 2HG MET 1 -12.375 -2.572 13.662
8 HG3 MET 1 1HG MET 1 -12.560 -2.982 15.366
9 HE1 MET 1 2HE MET 1 -9.736 -2.275 16.591
10 HE2 MET 1 3HE MET 1 -11.267 -1.805 17.329
11 HE3 MET 1 1HE MET 1 -9.997 -0.605 17.092
12 H ALA 2 H ALA 2 -13.390 -6.582 13.438
13 HA ALA 2 HA ALA 2 -13.401 -5.880 10.652
14 HB1 ALA 2 1HB ALA 2 -15.305 -7.387 10.485
15 HB2 ALA 2 2HB ALA 2 -15.399 -7.482 12.243
16 HB3 ALA 2 3HB ALA 2 -13.995 -8.135 11.400
17 H GLU 3 H GLU 3 -13.920 -3.769 10.317
18 HA GLU 3 HA GLU 3 -16.035 -2.450 11.726
19 HB2 GLU 3 2HB GLU 3 -14.531 -1.644 9.230
20 HB3 GLU 3 1HB GLU 3 -15.617 -0.600 10.136
21 HG2 GLU 3 2HG GLU 3 -14.155 -0.754 12.080
22 HG3 GLU 3 1HG GLU 3 -13.070 -1.816 11.183
23 H MET 4 H MET 4 -15.633 -3.804 8.486
24 HA MET 4 HA MET 4 -17.116 -4.052 6.744
25 HB2 MET 4 2HB MET 4 -18.619 -5.213 9.091
26 HB3 MET 4 1HB MET 4 -19.047 -5.490 7.408
27 HG2 MET 4 2HG MET 4 -16.835 -6.506 7.040
28 HG3 MET 4 1HG MET 4 -16.475 -6.286 8.752
29 HE1 MET 4 3HE MET 4 -16.283 -9.133 7.255
30 HE2 MET 4 1HE MET 4 -16.977 -10.150 8.518
31 HE3 MET 4 2HE MET 4 -15.882 -8.834 8.946
32 H GLY 5 H GLY 5 -17.283 -1.458 7.373
33 HA2 GLY 5 2HA GLY 5 -19.996 -0.836 6.664
34 HA3 GLY 5 1HA GLY 5 -19.586 -0.305 8.287
35 H SER 6 H SER 6 -16.755 0.200 7.388
36 HA SER 6 HA SER 6 -16.955 2.280 5.418
37 HB2 SER 6 2HB SER 6 -15.845 3.808 7.345
38 HB3 SER 6 1HB SER 6 -17.567 3.829 6.972
39 HG SER 6 HG SER 6 -17.981 2.688 8.751
40 H LYS 7 H LYS 7 -15.396 -0.202 6.599
41 HA LYS 7 HA LYS 7 -12.704 0.787 6.744
42 HB2 LYS 7 2HB LYS 7 -12.792 -1.088 8.027
43 HB3 LYS 7 1HB LYS 7 -14.099 -1.794 7.091
44 HG2 LYS 7 2HG LYS 7 -12.240 -3.215 6.840
45 HG3 LYS 7 1HG LYS 7 -12.407 -2.328 5.325
46 HD2 LYS 7 2HD LYS 7 -10.664 -0.743 6.137
47 HD3 LYS 7 1HD LYS 7 -10.442 -1.778 7.549
48 HE2 LYS 7 2HE LYS 7 -8.764 -2.228 5.824
49 HE3 LYS 7 1HE LYS 7 -9.795 -3.630 6.111
50 HZ1 LYS 7 3HZ LYS 7 -10.092 -1.702 3.869
51 HZ2 LYS 7 1HZ LYS 7 -11.065 -3.059 4.140
52 HZ3 LYS 7 2HZ LYS 7 -9.431 -3.253 3.750
53 H GLY 8 H GLY 8 -14.819 -0.646 4.350
54 HA2 GLY 8 2HA GLY 8 -12.776 -1.214 2.433
55 HA3 GLY 8 1HA GLY 8 -14.504 -1.147 2.120
56 H VAL 9 H VAL 9 -15.007 1.495 2.911
57 HA VAL 9 HA VAL 9 -14.183 2.890 0.565
58 HB VAL 9 HB VAL 9 -15.419 4.805 1.514
59 HG11 VAL 9 1HG1 VAL 9 -16.621 3.132 0.233
60 HG12 VAL 9 2HG1 VAL 9 -17.632 3.739 1.544
61 HG13 VAL 9 3HG1 VAL 9 -16.857 2.161 1.687
62 HG21 VAL 9 3HG2 VAL 9 -15.806 2.993 3.896
63 HG22 VAL 9 1HG2 VAL 9 -16.637 4.525 3.632
64 HG23 VAL 9 2HG2 VAL 9 -14.890 4.500 3.865
65 H THR 10 H THR 10 -13.245 2.975 3.959
66 HA THR 10 HA THR 10 -11.665 5.322 3.828
67 HB THR 10 HB THR 10 -11.495 2.978 5.725
68 HG1 THR 10 1HG THR 10 -13.384 4.663 5.516
69 HG21 THR 10 3HG2 THR 10 -10.237 5.719 5.915
70 HG22 THR 10 1HG2 THR 10 -9.384 4.187 5.721
71 HG23 THR 10 2HG2 THR 10 -10.267 4.522 7.211
72 H ALA 11 H ALA 11 -10.841 1.874 3.607
73 HA ALA 11 HA ALA 11 -8.079 2.125 3.371
74 HB1 ALA 11 1HB ALA 11 -9.832 0.043 2.074
75 HB2 ALA 11 2HB ALA 11 -9.253 -0.002 3.739
76 HB3 ALA 11 3HB ALA 11 -8.105 -0.097 2.403
77 H GLY 12 H GLY 12 -10.443 3.242 1.272
78 HA2 GLY 12 2HA GLY 12 -9.148 2.834 -1.232
79 HA3 GLY 12 1HA GLY 12 -10.418 4.003 -0.901
80 H LYS 13 H LYS 13 -9.258 5.613 0.990
81 HA LYS 13 HA LYS 13 -7.594 7.257 -0.612
82 HB2 LYS 13 2HB LYS 13 -7.548 8.769 1.251
83 HB3 LYS 13 1HB LYS 13 -9.168 8.097 1.135
84 HG2 LYS 13 2HG LYS 13 -8.856 7.915 3.372
85 HG3 LYS 13 1HG LYS 13 -8.180 6.365 2.872
86 HD2 LYS 13 2HD LYS 13 -6.524 7.146 4.271
87 HD3 LYS 13 1HD LYS 13 -5.952 7.724 2.707
88 HE2 LYS 13 2HE LYS 13 -5.777 9.471 4.394
89 HE3 LYS 13 1HE LYS 13 -6.938 9.913 3.143
90 HZ1 LYS 13 3HZ LYS 13 -7.783 10.436 5.336
91 HZ2 LYS 13 1HZ LYS 13 -7.605 8.825 5.826
92 HZ3 LYS 13 2HZ LYS 13 -8.726 9.226 4.625
93 H ILE 14 H ILE 14 -6.958 4.940 1.954
94 HA ILE 14 HA ILE 14 -4.280 5.643 2.463
95 HB ILE 14 HB ILE 14 -5.760 3.039 2.802
96 HG12 ILE 14 2HG1 ILE 14 -5.108 3.715 5.268
97 HG13 ILE 14 1HG1 ILE 14 -4.967 5.321 4.563
98 HG21 ILE 14 1HG2 ILE 14 -2.894 3.642 3.502
99 HG22 ILE 14 2HG2 ILE 14 -3.491 2.394 2.408
100 HG23 ILE 14 3HG2 ILE 14 -3.804 2.272 4.140
101 HD11 ILE 14 3HD1 ILE 14 -7.148 5.062 5.502
102 HD12 ILE 14 1HD1 ILE 14 -7.409 3.571 4.600
103 HD13 ILE 14 2HD1 ILE 14 -7.290 5.109 3.745
104 H ALA 15 H ALA 15 -5.763 3.602 0.010
105 HA ALA 15 HA ALA 15 -3.552 2.232 -0.939
106 HB1 ALA 15 1HB ALA 15 -5.811 3.361 -2.588
107 HB2 ALA 15 2HB ALA 15 -5.847 1.830 -1.712
108 HB3 ALA 15 3HB ALA 15 -4.728 2.051 -3.058
109 H SER 16 H SER 16 -4.696 5.467 -1.812
110 HA SER 16 HA SER 16 -2.703 6.028 -3.716
111 HB2 SER 16 2HB SER 16 -4.751 7.365 -3.538
112 HB3 SER 16 1HB SER 16 -4.251 7.938 -1.948
113 HG SER 16 HG SER 16 -3.574 8.876 -4.374
114 H ASN 17 H ASN 17 -2.804 6.312 -0.234
115 HA ASN 17 HA ASN 17 -0.438 7.880 0.020
116 HB2 ASN 17 2HB ASN 17 -2.339 6.551 1.843
117 HB3 ASN 17 1HB ASN 17 -0.712 6.785 2.471
118 HD21 ASN 17 1HD2 ASN 17 -3.203 8.018 3.303
119 HD22 ASN 17 2HD2 ASN 17 -2.983 9.723 3.128
120 H VAL 18 H VAL 18 -1.012 4.434 -0.240
121 HA VAL 18 HA VAL 18 1.349 3.551 1.020
122 HB VAL 18 HB VAL 18 1.015 1.441 0.031
123 HG11 VAL 18 1HG1 VAL 18 -1.743 2.627 0.196
124 HG12 VAL 18 2HG1 VAL 18 -0.762 2.192 1.594
125 HG13 VAL 18 3HG1 VAL 18 -1.284 0.946 0.462
126 HG21 VAL 18 3HG2 VAL 18 -0.223 2.975 -2.180
127 HG22 VAL 18 1HG2 VAL 18 -0.821 1.343 -1.877
128 HG23 VAL 18 2HG2 VAL 18 0.886 1.606 -2.233
129 H GLN 19 H GLN 19 0.681 4.573 -2.292
130 HA GLN 19 HA GLN 19 3.077 3.875 -3.513
131 HB2 GLN 19 2HB GLN 19 0.840 5.122 -4.336
132 HB3 GLN 19 1HB GLN 19 1.905 6.514 -4.195
133 HG2 GLN 19 2HG GLN 19 3.498 5.465 -5.703
134 HG3 GLN 19 1HG GLN 19 2.457 4.047 -5.819
135 HE21 GLN 19 1HE2 GLN 19 0.014 5.636 -5.832
136 HE22 GLN 19 2HE2 GLN 19 -0.089 6.349 -7.402
137 H LYS 20 H LYS 20 2.250 6.648 -1.513
138 HA LYS 20 HA LYS 20 4.573 8.173 -1.893
139 HB2 LYS 20 2HB LYS 20 3.277 8.058 0.805
140 HB3 LYS 20 1HB LYS 20 3.913 9.444 -0.060
141 HG2 LYS 20 2HG LYS 20 1.412 8.001 -0.892
142 HG3 LYS 20 1HG LYS 20 1.422 9.363 0.223
143 HD2 LYS 20 2HD LYS 20 1.013 10.434 -1.757
144 HD3 LYS 20 1HD LYS 20 2.774 10.530 -1.696
145 HE2 LYS 20 2HE LYS 20 2.950 8.607 -3.172
146 HE3 LYS 20 1HE LYS 20 1.195 8.430 -3.180
147 HZ1 LYS 20 3HZ LYS 20 1.033 10.616 -4.224
148 HZ2 LYS 20 1HZ LYS 20 1.951 9.552 -5.167
149 HZ3 LYS 20 2HZ LYS 20 2.720 10.746 -4.247
150 H LYS 21 H LYS 21 3.768 5.599 0.358
151 HA LYS 21 HA LYS 21 6.268 5.624 1.729
152 HB2 LYS 21 2HB LYS 21 4.758 4.598 3.084
153 HB3 LYS 21 1HB LYS 21 3.793 4.020 1.739
154 HG2 LYS 21 2HG LYS 21 6.419 2.724 2.210
155 HG3 LYS 21 1HG LYS 21 5.101 2.375 3.331
156 HD2 LYS 21 2HD LYS 21 4.602 2.251 0.392
157 HD3 LYS 21 1HD LYS 21 5.433 0.910 1.186
158 HE2 LYS 21 2HE LYS 21 2.745 2.024 1.982
159 HE3 LYS 21 1HE LYS 21 2.999 0.557 1.038
160 HZ1 LYS 21 3HZ LYS 21 2.615 0.086 3.389
161 HZ2 LYS 21 1HZ LYS 21 3.978 0.998 3.807
162 HZ3 LYS 21 2HZ LYS 21 4.154 -0.422 2.903
163 H LEU 22 H LEU 22 4.979 4.079 -1.094
164 HA LEU 22 HA LEU 22 6.896 2.045 -1.424
165 HB2 LEU 22 2HB LEU 22 5.031 1.668 -2.694
166 HB3 LEU 22 1HB LEU 22 4.821 3.361 -3.085
167 HG LEU 22 HG LEU 22 6.680 3.190 -4.700
168 HD11 LEU 22 1HD1 LEU 22 7.506 1.000 -5.368
169 HD12 LEU 22 2HD1 LEU 22 6.530 0.236 -4.114
170 HD13 LEU 22 3HD1 LEU 22 7.862 1.300 -3.668
171 HD21 LEU 22 3HD2 LEU 22 4.378 2.973 -5.443
172 HD22 LEU 22 1HD2 LEU 22 4.418 1.243 -5.108
173 HD23 LEU 22 2HD2 LEU 22 5.433 1.917 -6.382
174 H THR 23 H THR 23 6.781 5.422 -2.444
175 HA THR 23 HA THR 23 9.045 5.305 -4.144
176 HB THR 23 HB THR 23 7.192 7.184 -3.847
177 HG1 THR 23 1HG THR 23 9.110 6.984 -5.351
178 HG21 THR 23 3HG2 THR 23 9.485 8.379 -2.295
179 HG22 THR 23 1HG2 THR 23 8.037 7.731 -1.527
180 HG23 THR 23 2HG2 THR 23 7.911 9.100 -2.631
181 H ARG 24 H ARG 24 8.617 5.761 -0.705
182 HA ARG 24 HA ARG 24 11.196 6.736 -0.098
183 HB2 ARG 24 2HB ARG 24 9.338 5.098 1.639
184 HB3 ARG 24 1HB ARG 24 10.703 6.051 2.205
185 HG2 ARG 24 2HG ARG 24 9.608 8.091 1.453
186 HG3 ARG 24 1HG ARG 24 8.247 7.144 0.849
187 HD2 ARG 24 2HD ARG 24 7.848 6.325 3.146
188 HD3 ARG 24 1HD ARG 24 9.153 7.365 3.716
189 HE ARG 24 HE ARG 24 7.401 9.008 2.358
190 HH11 ARG 24 1HH1 ARG 24 7.286 6.902 5.133
191 HH12 ARG 24 2HH1 ARG 24 6.055 7.817 5.937
192 HH21 ARG 24 1HH2 ARG 24 5.781 10.218 3.409
193 HH22 ARG 24 2HH2 ARG 24 5.201 9.703 4.959
194 H ALA 25 H ALA 25 9.842 3.470 -0.210
195 HA ALA 25 HA ALA 25 12.129 2.090 0.653
196 HB1 ALA 25 1HB ALA 25 11.101 0.115 -0.338
197 HB2 ALA 25 2HB ALA 25 9.965 1.134 -1.223
198 HB3 ALA 25 3HB ALA 25 9.901 1.064 0.538
199 H GLN 26 H GLN 26 11.074 3.216 -2.501
200 HA GLN 26 HA GLN 26 12.996 1.916 -4.076
201 HB2 GLN 26 2HB GLN 26 11.186 4.246 -4.419
202 HB3 GLN 26 1HB GLN 26 12.533 4.102 -5.543
203 HG2 GLN 26 2HG GLN 26 11.765 2.086 -6.403
204 HG3 GLN 26 1HG GLN 26 10.717 1.786 -5.020
205 HE21 GLN 26 1HE2 GLN 26 10.939 4.877 -6.629
206 HE22 GLN 26 2HE2 GLN 26 9.359 4.851 -7.326
207 H GLU 27 H GLU 27 13.026 5.195 -2.664
208 HA GLU 27 HA GLU 27 15.587 5.832 -3.654
209 HB2 GLU 27 2HB GLU 27 15.564 7.714 -2.181
210 HB3 GLU 27 1HB GLU 27 13.952 7.519 -2.854
211 HG2 GLU 27 2HG GLU 27 13.119 6.627 -0.832
212 HG3 GLU 27 1HG GLU 27 14.742 6.451 -0.170
213 H LYS 28 H LYS 28 14.499 4.120 -0.827
214 HA LYS 28 HA LYS 28 16.996 4.218 0.556
215 HB2 LYS 28 2HB LYS 28 14.932 3.882 1.780
216 HB3 LYS 28 1HB LYS 28 14.628 2.384 0.910
217 HG2 LYS 28 2HG LYS 28 16.530 1.339 1.925
218 HG3 LYS 28 1HG LYS 28 17.009 2.855 2.686
219 HD2 LYS 28 2HD LYS 28 14.973 2.849 4.021
220 HD3 LYS 28 1HD LYS 28 14.439 1.367 3.225
221 HE2 LYS 28 2HE LYS 28 15.390 0.865 5.404
222 HE3 LYS 28 1HE LYS 28 16.392 0.190 4.121
223 HZ1 LYS 28 3HZ LYS 28 16.930 2.710 5.598
224 HZ2 LYS 28 1HZ LYS 28 17.890 2.077 4.357
225 HZ3 LYS 28 2HZ LYS 28 17.739 1.242 5.820
226 H VAL 29 H VAL 29 15.440 1.795 -1.536
227 HA VAL 29 HA VAL 29 17.327 -0.240 -1.145
228 HB VAL 29 HB VAL 29 16.608 -1.118 -3.378
229 HG11 VAL 29 1HG1 VAL 29 14.308 -1.615 -2.660
230 HG12 VAL 29 2HG1 VAL 29 14.438 -0.358 -1.430
231 HG13 VAL 29 3HG1 VAL 29 15.472 -1.784 -1.346
232 HG21 VAL 29 3HG2 VAL 29 14.720 1.232 -3.363
233 HG22 VAL 29 1HG2 VAL 29 14.795 -0.060 -4.560
234 HG23 VAL 29 2HG2 VAL 29 16.131 1.082 -4.411
235 H LEU 30 H LEU 30 17.384 2.602 -3.175
236 HA LEU 30 HA LEU 30 19.437 1.946 -4.929
237 HB2 LEU 30 2HB LEU 30 18.960 4.621 -3.607
238 HB3 LEU 30 1HB LEU 30 19.901 4.351 -5.061
239 HG LEU 30 HG LEU 30 16.980 3.667 -4.903
240 HD11 LEU 30 1HD1 LEU 30 18.217 6.257 -5.826
241 HD12 LEU 30 2HD1 LEU 30 17.240 6.040 -4.372
242 HD13 LEU 30 3HD1 LEU 30 16.516 5.812 -5.966
243 HD21 LEU 30 3HD2 LEU 30 18.847 4.207 -7.207
244 HD22 LEU 30 1HD2 LEU 30 17.126 3.846 -7.340
245 HD23 LEU 30 2HD2 LEU 30 18.235 2.629 -6.710
246 H GLN 31 H GLN 31 19.498 2.640 -1.543
247 HA GLN 31 HA GLN 31 22.285 3.210 -1.334
248 HB2 GLN 31 2HB GLN 31 20.171 2.474 0.690
249 HB3 GLN 31 1HB GLN 31 21.851 2.748 1.137
250 HG2 GLN 31 2HG GLN 31 21.708 5.018 0.216
251 HG3 GLN 31 1HG GLN 31 20.012 4.737 -0.174
252 HE21 GLN 31 1HE2 GLN 31 18.501 4.618 1.489
253 HE22 GLN 31 2HE2 GLN 31 18.842 5.195 3.082
254 H LYS 32 H LYS 32 20.313 0.294 -0.972
255 HA LYS 32 HA LYS 32 22.526 -1.309 -0.086
256 HB2 LYS 32 2HB LYS 32 21.024 -3.085 0.073
257 HB3 LYS 32 1HB LYS 32 20.019 -1.682 0.397
258 HG2 LYS 32 2HG LYS 32 19.241 -1.733 -1.939
259 HG3 LYS 32 1HG LYS 32 20.196 -3.190 -2.202
260 HD2 LYS 32 2HD LYS 32 18.168 -3.056 0.001
261 HD3 LYS 32 1HD LYS 32 17.680 -3.422 -1.653
262 HE2 LYS 32 2HE LYS 32 18.028 -5.486 -0.475
263 HE3 LYS 32 1HE LYS 32 19.309 -5.291 -1.670
264 HZ1 LYS 32 3HZ LYS 32 20.075 -6.074 0.539
265 HZ2 LYS 32 1HZ LYS 32 19.608 -4.588 1.197
266 HZ3 LYS 32 2HZ LYS 32 20.828 -4.649 0.026
267 H LEU 33 H LEU 33 20.964 -0.619 -3.144
268 HA LEU 33 HA LEU 33 22.430 -2.657 -4.576
269 HB2 LEU 33 2HB LEU 33 20.857 -0.369 -5.747
270 HB3 LEU 33 1HB LEU 33 21.292 -1.875 -6.531
271 HG LEU 33 HG LEU 33 19.339 -1.568 -4.256
272 HD11 LEU 33 1HD1 LEU 33 18.487 -0.680 -6.353
273 HD12 LEU 33 2HD1 LEU 33 17.654 -2.172 -5.918
274 HD13 LEU 33 3HD1 LEU 33 18.896 -2.188 -7.170
275 HD21 LEU 33 3HD2 LEU 33 20.118 -4.009 -5.846
276 HD22 LEU 33 1HD2 LEU 33 18.826 -3.930 -4.648
277 HD23 LEU 33 2HD2 LEU 33 20.504 -3.706 -4.152
278 H TYR 34 H TYR 34 22.188 0.855 -5.077
279 HA TYR 34 HA TYR 34 24.720 0.959 -6.410
280 HB2 TYR 34 2HB TYR 34 22.939 3.202 -5.433
281 HB3 TYR 34 1HB TYR 34 24.295 3.376 -6.541
282 HD1 TYR 34 1HD TYR 34 20.900 1.936 -6.164
283 HD2 TYR 34 2HD TYR 34 24.053 2.918 -8.855
284 HE1 TYR 34 1HE TYR 34 19.403 1.523 -8.068
285 HE2 TYR 34 2HE TYR 34 22.558 2.504 -10.763
286 HH TYR 34 HH TYR 34 20.500 1.211 -11.244
Start of MODEL 8
1 H1 MET 1 1HT MET 1 -28.957 -3.148 2.654
2 H2 MET 1 2HT MET 1 -28.958 -1.909 3.806
3 H3 MET 1 3HT MET 1 -28.407 -3.451 4.226
4 HA MET 1 HA MET 1 -26.555 -1.967 3.920
5 HB2 MET 1 2HB MET 1 -26.368 -4.373 3.292
6 HB3 MET 1 1HB MET 1 -26.779 -3.943 1.639
7 HG2 MET 1 2HG MET 1 -24.773 -2.534 1.521
8 HG3 MET 1 1HG MET 1 -24.355 -3.017 3.164
9 HE1 MET 1 2HE MET 1 -23.639 -6.837 2.748
10 HE2 MET 1 3HE MET 1 -25.199 -6.119 3.150
11 HE3 MET 1 1HE MET 1 -23.721 -5.475 3.865
12 H ALA 2 H ALA 2 -25.966 -0.079 3.083
13 HA ALA 2 HA ALA 2 -26.245 0.504 0.287
14 HB1 ALA 2 1HB ALA 2 -27.682 2.459 0.524
15 HB2 ALA 2 2HB ALA 2 -27.900 2.096 2.237
16 HB3 ALA 2 3HB ALA 2 -28.517 0.985 1.013
17 H GLU 3 H GLU 3 -23.999 0.716 0.569
18 HA GLU 3 HA GLU 3 -22.013 1.735 1.055
19 HB2 GLU 3 2HB GLU 3 -23.653 4.216 0.623
20 HB3 GLU 3 1HB GLU 3 -21.918 4.057 0.411
21 HG2 GLU 3 2HG GLU 3 -22.282 2.480 -1.414
22 HG3 GLU 3 1HG GLU 3 -24.025 2.653 -1.212
23 H MET 4 H MET 4 -21.473 1.395 3.115
24 HA MET 4 HA MET 4 -22.634 2.679 5.301
25 HB2 MET 4 2HB MET 4 -20.057 1.137 5.124
26 HB3 MET 4 1HB MET 4 -20.830 1.632 6.624
27 HG2 MET 4 2HG MET 4 -22.797 0.276 6.021
28 HG3 MET 4 1HG MET 4 -21.947 -0.269 4.578
29 HE1 MET 4 3HE MET 4 -19.702 -1.686 4.644
30 HE2 MET 4 1HE MET 4 -18.936 -2.252 6.129
31 HE3 MET 4 2HE MET 4 -18.942 -0.532 5.739
32 H GLY 5 H GLY 5 -21.235 4.280 3.110
33 HA2 GLY 5 2HA GLY 5 -20.358 6.431 3.172
34 HA3 GLY 5 1HA GLY 5 -20.104 6.246 4.900
35 H SER 6 H SER 6 -18.028 6.857 5.110
36 HA SER 6 HA SER 6 -15.986 6.074 3.265
37 HB2 SER 6 2HB SER 6 -14.491 7.042 5.147
38 HB3 SER 6 1HB SER 6 -15.543 8.142 4.251
39 HG SER 6 HG SER 6 -15.947 8.617 6.334
40 H LYS 7 H LYS 7 -17.575 4.253 5.358
41 HA LYS 7 HA LYS 7 -15.454 2.960 6.773
42 HB2 LYS 7 2HB LYS 7 -18.302 2.105 6.216
43 HB3 LYS 7 1HB LYS 7 -17.194 1.217 7.252
44 HG2 LYS 7 2HG LYS 7 -18.072 4.059 7.715
45 HG3 LYS 7 1HG LYS 7 -18.766 2.641 8.502
46 HD2 LYS 7 2HD LYS 7 -16.578 2.113 9.471
47 HD3 LYS 7 1HD LYS 7 -15.889 3.537 8.688
48 HE2 LYS 7 2HE LYS 7 -17.431 4.963 9.960
49 HE3 LYS 7 1HE LYS 7 -18.087 3.533 10.756
50 HZ1 LYS 7 3HZ LYS 7 -16.452 4.640 12.141
51 HZ2 LYS 7 1HZ LYS 7 -15.276 4.479 10.935
52 HZ3 LYS 7 2HZ LYS 7 -15.901 3.104 11.696
53 H GLY 8 H GLY 8 -17.276 2.308 3.821
54 HA2 GLY 8 2HA GLY 8 -15.986 -0.185 3.283
55 HA3 GLY 8 1HA GLY 8 -16.962 0.746 2.156
56 H VAL 9 H VAL 9 -15.597 3.104 1.974
57 HA VAL 9 HA VAL 9 -13.402 2.332 0.307
58 HB VAL 9 HB VAL 9 -13.275 4.601 -0.378
59 HG11 VAL 9 1HG1 VAL 9 -16.135 3.869 0.214
60 HG12 VAL 9 2HG1 VAL 9 -15.210 3.443 -1.226
61 HG13 VAL 9 3HG1 VAL 9 -15.631 5.128 -0.915
62 HG21 VAL 9 3HG2 VAL 9 -13.229 5.694 1.778
63 HG22 VAL 9 1HG2 VAL 9 -14.915 5.265 2.064
64 HG23 VAL 9 2HG2 VAL 9 -14.502 6.408 0.787
65 H THR 10 H THR 10 -13.573 2.566 3.487
66 HA THR 10 HA THR 10 -11.596 4.135 4.501
67 HB THR 10 HB THR 10 -12.521 1.379 5.178
68 HG1 THR 10 1HG THR 10 -12.556 3.432 7.038
69 HG21 THR 10 3HG2 THR 10 -10.200 1.285 5.819
70 HG22 THR 10 1HG2 THR 10 -11.166 1.504 7.278
71 HG23 THR 10 2HG2 THR 10 -10.299 2.872 6.579
72 H ALA 11 H ALA 11 -11.046 0.754 3.498
73 HA ALA 11 HA ALA 11 -8.258 0.819 3.683
74 HB1 ALA 11 1HB ALA 11 -9.939 -0.938 1.900
75 HB2 ALA 11 2HB ALA 11 -9.578 -1.249 3.598
76 HB3 ALA 11 3HB ALA 11 -8.277 -1.243 2.406
77 H GLY 12 H GLY 12 -10.363 2.051 1.241
78 HA2 GLY 12 2HA GLY 12 -8.549 1.998 -0.943
79 HA3 GLY 12 1HA GLY 12 -9.955 3.045 -0.797
80 H LYS 13 H LYS 13 -9.046 4.198 1.722
81 HA LYS 13 HA LYS 13 -7.551 6.365 0.698
82 HB2 LYS 13 2HB LYS 13 -8.963 6.959 2.434
83 HB3 LYS 13 1HB LYS 13 -8.577 5.531 3.379
84 HG2 LYS 13 2HG LYS 13 -6.385 7.446 2.953
85 HG3 LYS 13 1HG LYS 13 -7.717 7.971 3.980
86 HD2 LYS 13 2HD LYS 13 -7.268 5.439 4.888
87 HD3 LYS 13 1HD LYS 13 -5.637 5.970 4.473
88 HE2 LYS 13 2HE LYS 13 -5.974 7.989 5.834
89 HE3 LYS 13 1HE LYS 13 -7.582 7.410 6.267
90 HZ1 LYS 13 3HZ LYS 13 -5.973 6.915 7.997
91 HZ2 LYS 13 1HZ LYS 13 -5.021 6.042 6.904
92 HZ3 LYS 13 2HZ LYS 13 -6.563 5.484 7.318
93 H ILE 14 H ILE 14 -6.721 3.558 2.671
94 HA ILE 14 HA ILE 14 -4.062 4.351 3.250
95 HB ILE 14 HB ILE 14 -5.336 1.612 3.243
96 HG12 ILE 14 2HG1 ILE 14 -4.968 2.036 5.792
97 HG13 ILE 14 1HG1 ILE 14 -4.863 3.729 5.318
98 HG21 ILE 14 1HG2 ILE 14 -2.954 1.353 2.918
99 HG22 ILE 14 2HG2 ILE 14 -3.385 0.887 4.563
100 HG23 ILE 14 3HG2 ILE 14 -2.623 2.448 4.261
101 HD11 ILE 14 3HD1 ILE 14 -7.089 3.631 4.382
102 HD12 ILE 14 1HD1 ILE 14 -7.103 3.103 6.064
103 HD13 ILE 14 2HD1 ILE 14 -7.194 1.913 4.764
104 H ALA 15 H ALA 15 -5.523 2.592 0.578
105 HA ALA 15 HA ALA 15 -3.294 1.417 -0.569
106 HB1 ALA 15 1HB ALA 15 -5.611 2.685 -2.025
107 HB2 ALA 15 2HB ALA 15 -5.589 1.055 -1.353
108 HB3 ALA 15 3HB ALA 15 -4.504 1.476 -2.677
109 H SER 16 H SER 16 -4.536 4.701 -1.059
110 HA SER 16 HA SER 16 -2.566 5.520 -2.900
111 HB2 SER 16 2HB SER 16 -3.278 7.813 -2.326
112 HB3 SER 16 1HB SER 16 -4.657 6.753 -2.604
113 HG SER 16 HG SER 16 -3.593 7.391 -0.053
114 H ASN 17 H ASN 17 -2.695 5.496 0.589
115 HA ASN 17 HA ASN 17 -0.409 7.126 1.025
116 HB2 ASN 17 2HB ASN 17 -2.195 5.449 2.694
117 HB3 ASN 17 1HB ASN 17 -0.616 5.852 3.357
118 HD21 ASN 17 1HD2 ASN 17 -3.690 7.078 2.312
119 HD22 ASN 17 2HD2 ASN 17 -3.530 8.650 3.010
120 H VAL 18 H VAL 18 -0.855 3.605 0.817
121 HA VAL 18 HA VAL 18 1.712 2.944 1.778
122 HB VAL 18 HB VAL 18 1.386 0.748 0.775
123 HG11 VAL 18 1HG1 VAL 18 -0.689 0.134 1.951
124 HG12 VAL 18 2HG1 VAL 18 -1.075 1.848 2.117
125 HG13 VAL 18 3HG1 VAL 18 0.352 1.185 2.912
126 HG21 VAL 18 3HG2 VAL 18 -0.428 0.182 -0.622
127 HG22 VAL 18 1HG2 VAL 18 0.276 1.646 -1.307
128 HG23 VAL 18 2HG2 VAL 18 -1.208 1.741 -0.359
129 H GLN 19 H GLN 19 0.537 3.857 -1.397
130 HA GLN 19 HA GLN 19 2.671 3.038 -2.990
131 HB2 GLN 19 2HB GLN 19 0.982 5.538 -3.211
132 HB3 GLN 19 1HB GLN 19 2.014 4.907 -4.484
133 HG2 GLN 19 2HG GLN 19 0.669 2.842 -4.512
134 HG3 GLN 19 1HG GLN 19 -0.397 3.554 -3.303
135 HE21 GLN 19 1HE2 GLN 19 -0.164 6.228 -4.491
136 HE22 GLN 19 2HE2 GLN 19 -1.145 6.197 -5.911
137 H LYS 20 H LYS 20 2.286 5.905 -0.965
138 HA LYS 20 HA LYS 20 4.595 7.279 -1.766
139 HB2 LYS 20 2HB LYS 20 3.748 7.361 1.100
140 HB3 LYS 20 1HB LYS 20 4.245 8.677 0.047
141 HG2 LYS 20 2HG LYS 20 1.594 7.251 0.008
142 HG3 LYS 20 1HG LYS 20 1.907 8.884 0.591
143 HD2 LYS 20 2HD LYS 20 2.322 7.963 -2.253
144 HD3 LYS 20 1HD LYS 20 0.895 8.820 -1.668
145 HE2 LYS 20 2HE LYS 20 2.278 10.727 -1.048
146 HE3 LYS 20 1HE LYS 20 3.723 9.866 -1.576
147 HZ1 LYS 20 3HZ LYS 20 2.856 9.847 -3.824
148 HZ2 LYS 20 1HZ LYS 20 2.945 11.434 -3.247
149 HZ3 LYS 20 2HZ LYS 20 1.452 10.645 -3.325
150 H LYS 21 H LYS 21 4.050 4.792 0.664
151 HA LYS 21 HA LYS 21 6.730 4.775 1.642
152 HB2 LYS 21 2HB LYS 21 5.448 3.806 3.243
153 HB3 LYS 21 1HB LYS 21 4.247 3.257 2.088
154 HG2 LYS 21 2HG LYS 21 6.870 1.861 2.158
155 HG3 LYS 21 1HG LYS 21 5.719 1.566 3.461
156 HD2 LYS 21 2HD LYS 21 4.820 1.433 0.613
157 HD3 LYS 21 1HD LYS 21 5.673 0.062 1.335
158 HE2 LYS 21 2HE LYS 21 3.185 1.343 2.462
159 HE3 LYS 21 1HE LYS 21 3.206 -0.125 1.484
160 HZ1 LYS 21 3HZ LYS 21 4.540 -1.202 3.172
161 HZ2 LYS 21 1HZ LYS 21 3.113 -0.607 3.859
162 HZ3 LYS 21 2HZ LYS 21 4.573 0.211 4.101
163 H LEU 22 H LEU 22 4.990 3.205 -0.912
164 HA LEU 22 HA LEU 22 6.796 1.119 -1.477
165 HB2 LEU 22 2HB LEU 22 4.772 0.734 -2.454
166 HB3 LEU 22 1HB LEU 22 4.500 2.426 -2.812
167 HG LEU 22 HG LEU 22 6.054 2.257 -4.715
168 HD11 LEU 22 1HD1 LEU 22 6.063 -0.695 -4.091
169 HD12 LEU 22 2HD1 LEU 22 7.430 0.397 -3.884
170 HD13 LEU 22 3HD1 LEU 22 6.798 0.074 -5.497
171 HD21 LEU 22 3HD2 LEU 22 3.661 1.984 -5.049
172 HD22 LEU 22 1HD2 LEU 22 3.805 0.254 -4.737
173 HD23 LEU 22 2HD2 LEU 22 4.571 0.962 -6.159
174 H THR 23 H THR 23 6.498 4.429 -2.719
175 HA THR 23 HA THR 23 8.603 4.196 -4.610
176 HB THR 23 HB THR 23 6.724 6.037 -4.383
177 HG1 THR 23 1HG THR 23 9.393 6.566 -5.242
178 HG21 THR 23 3HG2 THR 23 7.561 6.863 -2.188
179 HG22 THR 23 1HG2 THR 23 7.493 8.114 -3.427
180 HG23 THR 23 2HG2 THR 23 9.038 7.386 -2.991
181 H ARG 24 H ARG 24 8.456 4.945 -1.211
182 HA ARG 24 HA ARG 24 10.981 6.115 -0.867
183 HB2 ARG 24 2HB ARG 24 9.296 4.443 1.003
184 HB3 ARG 24 1HB ARG 24 10.774 5.256 1.499
185 HG2 ARG 24 2HG ARG 24 8.603 6.833 0.204
186 HG3 ARG 24 1HG ARG 24 8.453 6.366 1.899
187 HD2 ARG 24 2HD ARG 24 10.759 7.887 0.688
188 HD3 ARG 24 1HD ARG 24 9.455 8.589 1.646
189 HE ARG 24 HE ARG 24 10.570 6.596 3.199
190 HH11 ARG 24 1HH1 ARG 24 11.635 9.564 1.715
191 HH12 ARG 24 2HH1 ARG 24 12.824 9.895 2.932
192 HH21 ARG 24 1HH2 ARG 24 12.130 7.023 4.802
193 HH22 ARG 24 2HH2 ARG 24 13.107 8.449 4.685
194 H ALA 25 H ALA 25 9.944 2.763 -1.063
195 HA ALA 25 HA ALA 25 12.290 1.508 -0.204
196 HB1 ALA 25 1HB ALA 25 10.352 0.548 -2.309
197 HB2 ALA 25 2HB ALA 25 10.170 0.323 -0.569
198 HB3 ALA 25 3HB ALA 25 11.507 -0.448 -1.424
199 H GLN 26 H GLN 26 11.330 2.695 -3.390
200 HA GLN 26 HA GLN 26 13.529 1.730 -4.837
201 HB2 GLN 26 2HB GLN 26 11.676 4.063 -5.278
202 HB3 GLN 26 1HB GLN 26 12.957 3.659 -6.415
203 HG2 GLN 26 2HG GLN 26 11.952 1.354 -6.545
204 HG3 GLN 26 1HG GLN 26 10.579 1.994 -5.645
205 HE21 GLN 26 1HE2 GLN 26 10.767 4.615 -6.935
206 HE22 GLN 26 2HE2 GLN 26 10.142 4.405 -8.530
207 H GLU 27 H GLU 27 13.011 4.862 -3.229
208 HA GLU 27 HA GLU 27 15.536 5.918 -3.950
209 HB2 GLU 27 2HB GLU 27 13.817 6.683 -1.587
210 HB3 GLU 27 1HB GLU 27 15.114 7.639 -2.292
211 HG2 GLU 27 2HG GLU 27 12.577 6.866 -3.711
212 HG3 GLU 27 1HG GLU 27 12.879 8.424 -2.943
213 H LYS 28 H LYS 28 14.457 3.855 -1.367
214 HA LYS 28 HA LYS 28 16.696 4.224 0.344
215 HB2 LYS 28 2HB LYS 28 14.498 3.384 1.113
216 HB3 LYS 28 1HB LYS 28 14.778 1.897 0.214
217 HG2 LYS 28 2HG LYS 28 17.045 2.275 1.813
218 HG3 LYS 28 1HG LYS 28 15.652 2.624 2.838
219 HD2 LYS 28 2HD LYS 28 14.680 0.484 2.338
220 HD3 LYS 28 1HD LYS 28 15.935 0.147 1.143
221 HE2 LYS 28 2HE LYS 28 16.307 -1.026 3.287
222 HE3 LYS 28 1HE LYS 28 17.619 0.074 2.868
223 HZ1 LYS 28 3HZ LYS 28 16.704 1.702 4.392
224 HZ2 LYS 28 1HZ LYS 28 17.009 0.248 5.203
225 HZ3 LYS 28 2HZ LYS 28 15.426 0.664 4.781
226 H VAL 29 H VAL 29 15.885 1.761 -2.099
227 HA VAL 29 HA VAL 29 18.077 0.089 -1.617
228 HB VAL 29 HB VAL 29 17.795 -0.704 -3.966
229 HG11 VAL 29 1HG1 VAL 29 16.533 -1.707 -2.146
230 HG12 VAL 29 2HG1 VAL 29 15.553 -1.645 -3.612
231 HG13 VAL 29 3HG1 VAL 29 15.279 -0.478 -2.317
232 HG21 VAL 29 3HG2 VAL 29 17.072 1.495 -4.885
233 HG22 VAL 29 1HG2 VAL 29 15.520 1.263 -4.080
234 HG23 VAL 29 2HG2 VAL 29 16.033 0.145 -5.345
235 H LEU 30 H LEU 30 17.797 3.067 -3.421
236 HA LEU 30 HA LEU 30 20.137 2.974 -4.931
237 HB2 LEU 30 2HB LEU 30 18.938 5.391 -3.567
238 HB3 LEU 30 1HB LEU 30 20.072 5.425 -4.902
239 HG LEU 30 HG LEU 30 17.334 4.189 -5.108
240 HD11 LEU 30 1HD1 LEU 30 18.210 6.965 -5.896
241 HD12 LEU 30 2HD1 LEU 30 17.128 6.568 -4.559
242 HD13 LEU 30 3HD1 LEU 30 16.634 6.240 -6.222
243 HD21 LEU 30 3HD2 LEU 30 17.726 4.430 -7.511
244 HD22 LEU 30 1HD2 LEU 30 18.951 3.412 -6.753
245 HD23 LEU 30 2HD2 LEU 30 19.332 5.079 -7.182
246 H GLN 31 H GLN 31 19.633 3.497 -1.534
247 HA GLN 31 HA GLN 31 22.179 4.614 -0.943
248 HB2 GLN 31 2HB GLN 31 20.172 3.180 0.804
249 HB3 GLN 31 1HB GLN 31 21.616 3.978 1.413
250 HG2 GLN 31 2HG GLN 31 20.793 6.108 0.499
251 HG3 GLN 31 1HG GLN 31 19.327 5.290 -0.037
252 HE21 GLN 31 1HE2 GLN 31 17.837 4.570 1.504
253 HE22 GLN 31 2HE2 GLN 31 17.833 5.182 3.119
254 H LYS 32 H LYS 32 20.940 1.362 -1.246
255 HA LYS 32 HA LYS 32 23.239 0.097 -0.081
256 HB2 LYS 32 2HB LYS 32 21.043 -1.060 -1.808
257 HB3 LYS 32 1HB LYS 32 22.225 -1.990 -0.898
258 HG2 LYS 32 2HG LYS 32 21.333 -1.154 1.186
259 HG3 LYS 32 1HG LYS 32 20.199 -0.120 0.313
260 HD2 LYS 32 2HD LYS 32 19.109 -2.082 -0.629
261 HD3 LYS 32 1HD LYS 32 20.272 -3.135 0.180
262 HE2 LYS 32 2HE LYS 32 18.298 -1.295 1.528
263 HE3 LYS 32 1HE LYS 32 18.164 -3.049 1.404
264 HZ1 LYS 32 3HZ LYS 32 20.297 -1.560 2.838
265 HZ2 LYS 32 1HZ LYS 32 20.213 -3.244 2.692
266 HZ3 LYS 32 2HZ LYS 32 19.022 -2.410 3.555
267 H LEU 33 H LEU 33 22.076 0.751 -3.353
268 HA LEU 33 HA LEU 33 24.320 -0.557 -4.605
269 HB2 LEU 33 2HB LEU 33 22.430 1.365 -5.935
270 HB3 LEU 33 1HB LEU 33 23.336 0.056 -6.667
271 HG LEU 33 HG LEU 33 20.999 -0.256 -4.788
272 HD11 LEU 33 1HD1 LEU 33 19.824 -1.099 -6.768
273 HD12 LEU 33 2HD1 LEU 33 21.228 -0.701 -7.760
274 HD13 LEU 33 3HD1 LEU 33 20.320 0.583 -6.960
275 HD21 LEU 33 3HD2 LEU 33 22.592 -2.084 -4.553
276 HD22 LEU 33 1HD2 LEU 33 22.593 -2.324 -6.300
277 HD23 LEU 33 2HD2 LEU 33 21.129 -2.635 -5.369
278 H TYR 34 H TYR 34 23.132 2.791 -4.805
279 HA TYR 34 HA TYR 34 25.724 3.772 -5.567
280 HB2 TYR 34 2HB TYR 34 23.226 5.316 -4.836
281 HB3 TYR 34 1HB TYR 34 24.638 5.953 -5.671
282 HD1 TYR 34 1HD TYR 34 21.681 3.779 -5.987
283 HD2 TYR 34 2HD TYR 34 24.984 5.543 -8.013
284 HE1 TYR 34 1HE TYR 34 20.675 3.173 -8.147
285 HE2 TYR 34 2HE TYR 34 23.985 4.941 -10.177
286 HH TYR 34 HH TYR 34 20.770 3.879 -10.484
Start of MODEL 9
1 H1 MET 1 1HT MET 1 -11.403 -10.363 -5.958
2 H2 MET 1 2HT MET 1 -12.214 -11.500 -5.002
3 H3 MET 1 3HT MET 1 -11.005 -10.532 -4.322
4 HA MET 1 HA MET 1 -12.325 -8.561 -4.670
5 HB2 MET 1 2HB MET 1 -14.461 -10.488 -5.608
6 HB3 MET 1 1HB MET 1 -14.630 -8.745 -5.443
7 HG2 MET 1 2HG MET 1 -12.845 -10.200 -7.380
8 HG3 MET 1 1HG MET 1 -14.334 -9.336 -7.759
9 HE1 MET 1 2HE MET 1 -11.435 -7.154 -9.343
10 HE2 MET 1 3HE MET 1 -12.920 -8.044 -9.682
11 HE3 MET 1 1HE MET 1 -11.466 -8.910 -9.186
12 H ALA 2 H ALA 2 -11.704 -8.987 -2.451
13 HA ALA 2 HA ALA 2 -13.433 -10.548 -0.769
14 HB1 ALA 2 1HB ALA 2 -11.045 -10.339 -0.298
15 HB2 ALA 2 2HB ALA 2 -12.022 -9.761 1.053
16 HB3 ALA 2 3HB ALA 2 -11.247 -8.607 -0.034
17 H GLU 3 H GLU 3 -15.481 -9.755 -0.696
18 HA GLU 3 HA GLU 3 -17.236 -8.426 -0.178
19 HB2 GLU 3 2HB GLU 3 -15.219 -7.155 1.676
20 HB3 GLU 3 1HB GLU 3 -16.961 -6.952 1.769
21 HG2 GLU 3 2HG GLU 3 -17.245 -9.305 2.247
22 HG3 GLU 3 1HG GLU 3 -15.511 -9.569 2.066
23 H MET 4 H MET 4 -14.842 -5.880 0.373
24 HA MET 4 HA MET 4 -14.442 -3.890 -0.638
25 HB2 MET 4 2HB MET 4 -15.834 -5.128 -3.019
26 HB3 MET 4 1HB MET 4 -14.923 -3.626 -3.041
27 HG2 MET 4 2HG MET 4 -12.916 -4.919 -2.330
28 HG3 MET 4 1HG MET 4 -13.862 -6.392 -2.532
29 HE1 MET 4 3HE MET 4 -14.708 -6.198 -6.387
30 HE2 MET 4 1HE MET 4 -15.651 -5.421 -5.116
31 HE3 MET 4 2HE MET 4 -15.018 -7.048 -4.873
32 H GLY 5 H GLY 5 -15.602 -2.468 0.514
33 HA2 GLY 5 2HA GLY 5 -18.045 -1.456 -0.631
34 HA3 GLY 5 1HA GLY 5 -18.283 -2.255 0.916
35 H SER 6 H SER 6 -17.783 -1.193 2.771
36 HA SER 6 HA SER 6 -17.318 1.624 2.596
37 HB2 SER 6 2HB SER 6 -17.573 -0.255 4.946
38 HB3 SER 6 1HB SER 6 -17.327 1.482 5.121
39 HG SER 6 HG SER 6 -19.602 0.183 4.719
40 H LYS 7 H LYS 7 -15.315 -0.961 2.474
41 HA LYS 7 HA LYS 7 -13.112 0.089 4.003
42 HB2 LYS 7 2HB LYS 7 -13.258 -2.215 2.052
43 HB3 LYS 7 1HB LYS 7 -11.856 -1.824 3.038
44 HG2 LYS 7 2HG LYS 7 -14.565 -2.526 4.144
45 HG3 LYS 7 1HG LYS 7 -13.238 -3.670 3.939
46 HD2 LYS 7 2HD LYS 7 -11.855 -2.368 5.461
47 HD3 LYS 7 1HD LYS 7 -13.141 -1.171 5.629
48 HE2 LYS 7 2HE LYS 7 -13.053 -2.733 7.530
49 HE3 LYS 7 1HE LYS 7 -14.585 -2.815 6.661
50 HZ1 LYS 7 3HZ LYS 7 -12.321 -4.711 6.325
51 HZ2 LYS 7 1HZ LYS 7 -13.819 -4.802 5.543
52 HZ3 LYS 7 2HZ LYS 7 -13.725 -5.014 7.219
53 H GLY 8 H GLY 8 -14.167 0.107 0.665
54 HA2 GLY 8 2HA GLY 8 -11.682 0.989 -0.429
55 HA3 GLY 8 1HA GLY 8 -13.245 1.048 -1.228
56 H VAL 9 H VAL 9 -14.558 2.645 0.757
57 HA VAL 9 HA VAL 9 -13.731 5.224 -0.148
58 HB VAL 9 HB VAL 9 -15.573 6.090 1.206
59 HG11 VAL 9 1HG1 VAL 9 -16.294 3.603 -0.334
60 HG12 VAL 9 2HG1 VAL 9 -16.052 5.212 -1.012
61 HG13 VAL 9 3HG1 VAL 9 -17.401 4.910 0.082
62 HG21 VAL 9 3HG2 VAL 9 -15.361 4.628 3.141
63 HG22 VAL 9 1HG2 VAL 9 -15.869 3.246 2.170
64 HG23 VAL 9 2HG2 VAL 9 -16.999 4.562 2.492
65 H THR 10 H THR 10 -13.305 3.383 2.804
66 HA THR 10 HA THR 10 -12.076 5.709 4.106
67 HB THR 10 HB THR 10 -12.859 3.033 5.278
68 HG1 THR 10 1HG THR 10 -14.747 3.965 5.396
69 HG21 THR 10 3HG2 THR 10 -10.973 4.002 6.482
70 HG22 THR 10 1HG2 THR 10 -12.441 4.116 7.452
71 HG23 THR 10 2HG2 THR 10 -11.826 5.540 6.614
72 H ALA 11 H ALA 11 -11.373 2.202 4.011
73 HA ALA 11 HA ALA 11 -8.661 2.490 4.688
74 HB1 ALA 11 1HB ALA 11 -8.402 0.174 4.123
75 HB2 ALA 11 2HB ALA 11 -9.882 0.194 3.167
76 HB3 ALA 11 3HB ALA 11 -9.962 0.387 4.917
77 H GLY 12 H GLY 12 -10.306 3.006 1.731
78 HA2 GLY 12 2HA GLY 12 -8.176 2.462 -0.071
79 HA3 GLY 12 1HA GLY 12 -9.566 3.491 -0.397
80 H LYS 13 H LYS 13 -9.008 5.167 1.946
81 HA LYS 13 HA LYS 13 -7.373 7.110 0.716
82 HB2 LYS 13 2HB LYS 13 -9.091 7.870 2.157
83 HB3 LYS 13 1HB LYS 13 -8.572 6.811 3.461
84 HG2 LYS 13 2HG LYS 13 -6.473 8.626 2.697
85 HG3 LYS 13 1HG LYS 13 -7.952 9.485 3.122
86 HD2 LYS 13 2HD LYS 13 -6.769 7.320 4.845
87 HD3 LYS 13 1HD LYS 13 -6.338 9.021 5.023
88 HE2 LYS 13 2HE LYS 13 -9.143 7.929 5.199
89 HE3 LYS 13 1HE LYS 13 -8.114 8.281 6.587
90 HZ1 LYS 13 3HZ LYS 13 -9.662 10.089 6.104
91 HZ2 LYS 13 1HZ LYS 13 -8.991 10.270 4.561
92 HZ3 LYS 13 2HZ LYS 13 -8.057 10.593 5.933
93 H ILE 14 H ILE 14 -6.870 4.849 3.385
94 HA ILE 14 HA ILE 14 -4.246 5.718 4.031
95 HB ILE 14 HB ILE 14 -5.600 3.067 4.559
96 HG12 ILE 14 2HG1 ILE 14 -6.778 4.913 5.604
97 HG13 ILE 14 1HG1 ILE 14 -5.916 4.003 6.842
98 HG21 ILE 14 1HG2 ILE 14 -3.884 2.755 6.294
99 HG22 ILE 14 2HG2 ILE 14 -3.076 4.221 5.736
100 HG23 ILE 14 3HG2 ILE 14 -3.194 2.819 4.671
101 HD11 ILE 14 3HD1 ILE 14 -5.741 6.394 7.213
102 HD12 ILE 14 1HD1 ILE 14 -5.023 6.599 5.614
103 HD13 ILE 14 2HD1 ILE 14 -4.160 5.694 6.858
104 H ALA 15 H ALA 15 -5.541 3.231 1.908
105 HA ALA 15 HA ALA 15 -3.212 1.856 1.280
106 HB1 ALA 15 1HB ALA 15 -5.447 1.131 0.576
107 HB2 ALA 15 2HB ALA 15 -4.320 1.179 -0.779
108 HB3 ALA 15 3HB ALA 15 -5.510 2.464 -0.576
109 H SER 16 H SER 16 -4.599 4.682 -0.346
110 HA SER 16 HA SER 16 -2.537 4.998 -2.229
111 HB2 SER 16 2HB SER 16 -3.416 7.306 -2.484
112 HB3 SER 16 1HB SER 16 -4.692 6.092 -2.520
113 HG SER 16 HG SER 16 -5.281 6.655 -0.469
114 H ASN 17 H ASN 17 -2.933 6.109 1.050
115 HA ASN 17 HA ASN 17 -0.846 8.018 1.079
116 HB2 ASN 17 2HB ASN 17 -2.326 6.536 3.224
117 HB3 ASN 17 1HB ASN 17 -1.034 7.661 3.611
118 HD21 ASN 17 1HD2 ASN 17 -3.860 7.791 4.266
119 HD22 ASN 17 2HD2 ASN 17 -4.446 9.271 3.595
120 H VAL 18 H VAL 18 -0.942 4.594 2.028
121 HA VAL 18 HA VAL 18 1.667 4.504 3.073
122 HB VAL 18 HB VAL 18 1.522 2.072 2.854
123 HG11 VAL 18 1HG1 VAL 18 -1.000 3.359 3.876
124 HG12 VAL 18 2HG1 VAL 18 0.501 3.145 4.774
125 HG13 VAL 18 3HG1 VAL 18 -0.441 1.738 4.284
126 HG21 VAL 18 3HG2 VAL 18 -1.149 2.496 1.549
127 HG22 VAL 18 1HG2 VAL 18 -0.327 0.966 1.849
128 HG23 VAL 18 2HG2 VAL 18 0.321 2.097 0.661
129 H GLN 19 H GLN 19 0.461 4.346 -0.186
130 HA GLN 19 HA GLN 19 2.515 3.061 -1.519
131 HB2 GLN 19 2HB GLN 19 0.902 5.454 -2.405
132 HB3 GLN 19 1HB GLN 19 1.865 4.443 -3.472
133 HG2 GLN 19 2HG GLN 19 -0.360 3.340 -1.796
134 HG3 GLN 19 1HG GLN 19 -0.625 4.000 -3.408
135 HE21 GLN 19 1HE2 GLN 19 -1.313 2.015 -4.200
136 HE22 GLN 19 2HE2 GLN 19 -0.218 0.714 -4.501
137 H LYS 20 H LYS 20 2.290 6.449 -0.522
138 HA LYS 20 HA LYS 20 4.653 7.370 -1.751
139 HB2 LYS 20 2HB LYS 20 3.296 8.317 0.782
140 HB3 LYS 20 1HB LYS 20 4.579 9.183 -0.047
141 HG2 LYS 20 2HG LYS 20 2.626 10.236 -0.710
142 HG3 LYS 20 1HG LYS 20 3.044 9.188 -2.064
143 HD2 LYS 20 2HD LYS 20 1.361 7.646 -1.528
144 HD3 LYS 20 1HD LYS 20 1.147 8.316 0.091
145 HE2 LYS 20 2HE LYS 20 0.465 9.695 -2.498
146 HE3 LYS 20 1HE LYS 20 -0.686 8.930 -1.405
147 HZ1 LYS 20 3HZ LYS 20 1.063 11.229 -0.711
148 HZ2 LYS 20 1HZ LYS 20 -0.090 10.513 0.302
149 HZ3 LYS 20 2HZ LYS 20 -0.582 11.335 -1.092
150 H LYS 21 H LYS 21 3.943 6.318 1.502
151 HA LYS 21 HA LYS 21 6.492 6.478 2.606
152 HB2 LYS 21 2HB LYS 21 4.092 4.792 3.231
153 HB3 LYS 21 1HB LYS 21 5.589 4.587 4.122
154 HG2 LYS 21 2HG LYS 21 4.194 6.044 5.377
155 HG3 LYS 21 1HG LYS 21 5.502 7.013 4.696
156 HD2 LYS 21 2HD LYS 21 4.019 7.769 2.907
157 HD3 LYS 21 1HD LYS 21 2.711 6.784 3.568
158 HE2 LYS 21 2HE LYS 21 2.746 8.089 5.623
159 HE3 LYS 21 1HE LYS 21 4.089 9.051 5.006
160 HZ1 LYS 21 3HZ LYS 21 1.997 10.209 4.735
161 HZ2 LYS 21 1HZ LYS 21 1.359 8.924 3.838
162 HZ3 LYS 21 2HZ LYS 21 2.646 9.831 3.220
163 H LEU 22 H LEU 22 5.076 4.008 0.573
164 HA LEU 22 HA LEU 22 7.279 2.173 1.010
165 HB2 LEU 22 2HB LEU 22 4.954 2.051 -0.909
166 HB3 LEU 22 1HB LEU 22 6.130 0.773 -0.678
167 HG LEU 22 HG LEU 22 4.247 1.804 1.434
168 HD11 LEU 22 1HD1 LEU 22 3.116 -0.356 1.170
169 HD12 LEU 22 2HD1 LEU 22 4.190 -0.745 -0.174
170 HD13 LEU 22 3HD1 LEU 22 3.059 0.600 -0.311
171 HD21 LEU 22 3HD2 LEU 22 6.148 -0.539 1.460
172 HD22 LEU 22 1HD2 LEU 22 5.010 -0.115 2.740
173 HD23 LEU 22 2HD2 LEU 22 6.350 0.966 2.357
174 H THR 23 H THR 23 6.410 4.724 -1.080
175 HA THR 23 HA THR 23 7.958 4.002 -3.342
176 HB THR 23 HB THR 23 6.188 6.068 -2.735
177 HG1 THR 23 1HG THR 23 6.059 5.819 -4.821
178 HG21 THR 23 3HG2 THR 23 8.887 7.244 -3.422
179 HG22 THR 23 1HG2 THR 23 8.041 7.442 -1.886
180 HG23 THR 23 2HG2 THR 23 7.356 8.118 -3.364
181 H ARG 24 H ARG 24 8.681 5.753 -0.365
182 HA ARG 24 HA ARG 24 11.239 6.675 -1.180
183 HB2 ARG 24 2HB ARG 24 11.631 7.223 1.109
184 HB3 ARG 24 1HB ARG 24 9.955 7.602 0.743
185 HG2 ARG 24 2HG ARG 24 9.162 5.759 1.952
186 HG3 ARG 24 1HG ARG 24 10.762 5.018 2.030
187 HD2 ARG 24 2HD ARG 24 11.529 6.927 3.391
188 HD3 ARG 24 1HD ARG 24 9.886 7.561 3.381
189 HE ARG 24 HE ARG 24 9.860 4.912 4.335
190 HH11 ARG 24 1HH1 ARG 24 10.873 8.111 5.286
191 HH12 ARG 24 2HH1 ARG 24 10.696 7.802 6.980
192 HH21 ARG 24 1HH2 ARG 24 9.626 4.499 6.565
193 HH22 ARG 24 2HH2 ARG 24 9.988 5.749 7.707
194 H ALA 25 H ALA 25 10.030 3.714 0.192
195 HA ALA 25 HA ALA 25 12.415 2.539 1.049
196 HB1 ALA 25 1HB ALA 25 10.169 1.633 1.532
197 HB2 ALA 25 2HB ALA 25 11.254 0.414 0.862
198 HB3 ALA 25 3HB ALA 25 10.019 1.152 -0.158
199 H GLN 26 H GLN 26 10.821 2.523 -2.109
200 HA GLN 26 HA GLN 26 12.618 0.838 -3.444
201 HB2 GLN 26 2HB GLN 26 10.990 3.127 -4.570
202 HB3 GLN 26 1HB GLN 26 11.728 1.837 -5.510
203 HG2 GLN 26 2HG GLN 26 10.308 0.199 -4.412
204 HG3 GLN 26 1HG GLN 26 9.585 1.473 -3.429
205 HE21 GLN 26 1HE2 GLN 26 7.525 1.086 -4.202
206 HE22 GLN 26 2HE2 GLN 26 7.040 1.503 -5.808
207 H GLU 27 H GLU 27 12.599 4.348 -2.989
208 HA GLU 27 HA GLU 27 14.864 4.874 -4.592
209 HB2 GLU 27 2HB GLU 27 13.893 6.481 -2.226
210 HB3 GLU 27 1HB GLU 27 14.922 7.046 -3.536
211 HG2 GLU 27 2HG GLU 27 13.104 6.768 -5.117
212 HG3 GLU 27 1HG GLU 27 12.068 6.137 -3.837
213 H LYS 28 H LYS 28 14.487 3.832 -1.277
214 HA LYS 28 HA LYS 28 17.188 4.399 -0.535
215 HB2 LYS 28 2HB LYS 28 15.405 4.295 1.141
216 HB3 LYS 28 1HB LYS 28 15.169 2.587 0.788
217 HG2 LYS 28 2HG LYS 28 17.328 2.038 1.627
218 HG3 LYS 28 1HG LYS 28 17.763 3.742 1.775
219 HD2 LYS 28 2HD LYS 28 16.021 4.031 3.477
220 HD3 LYS 28 1HD LYS 28 15.595 2.325 3.329
221 HE2 LYS 28 2HE LYS 28 17.026 2.704 5.267
222 HE3 LYS 28 1HE LYS 28 17.838 1.699 4.068
223 HZ1 LYS 28 3HZ LYS 28 19.049 3.647 3.307
224 HZ2 LYS 28 1HZ LYS 28 19.320 3.385 4.957
225 HZ3 LYS 28 2HZ LYS 28 18.269 4.612 4.457
226 H VAL 29 H VAL 29 15.460 1.467 -1.567
227 HA VAL 29 HA VAL 29 17.597 -0.307 -1.133
228 HB VAL 29 HB VAL 29 16.458 -1.835 -2.715
229 HG11 VAL 29 1HG1 VAL 29 14.671 -0.502 -0.685
230 HG12 VAL 29 2HG1 VAL 29 15.830 -1.794 -0.370
231 HG13 VAL 29 3HG1 VAL 29 14.418 -2.103 -1.381
232 HG21 VAL 29 3HG2 VAL 29 14.480 0.417 -3.041
233 HG22 VAL 29 1HG2 VAL 29 14.333 -1.210 -3.703
234 HG23 VAL 29 2HG2 VAL 29 15.610 -0.137 -4.276
235 H LEU 30 H LEU 30 16.736 1.651 -3.970
236 HA LEU 30 HA LEU 30 18.646 0.512 -5.695
237 HB2 LEU 30 2HB LEU 30 18.308 2.368 -7.141
238 HB3 LEU 30 1HB LEU 30 16.760 1.963 -6.429
239 HG LEU 30 HG LEU 30 17.388 3.857 -4.726
240 HD11 LEU 30 1HD1 LEU 30 19.644 4.228 -5.547
241 HD12 LEU 30 2HD1 LEU 30 18.653 5.667 -5.786
242 HD13 LEU 30 3HD1 LEU 30 19.013 4.607 -7.148
243 HD21 LEU 30 3HD2 LEU 30 16.113 5.395 -6.006
244 HD22 LEU 30 1HD2 LEU 30 15.501 3.783 -6.380
245 HD23 LEU 30 2HD2 LEU 30 16.566 4.607 -7.519
246 H GLN 31 H GLN 31 18.901 2.835 -3.135
247 HA GLN 31 HA GLN 31 21.339 4.038 -3.825
248 HB2 GLN 31 2HB GLN 31 20.017 3.557 -1.156
249 HB3 GLN 31 1HB GLN 31 21.553 4.399 -1.301
250 HG2 GLN 31 2HG GLN 31 20.487 6.063 -2.754
251 HG3 GLN 31 1HG GLN 31 18.947 5.232 -2.550
252 HE21 GLN 31 1HE2 GLN 31 19.500 4.598 0.253
253 HE22 GLN 31 2HE2 GLN 31 19.277 6.072 1.125
254 H LYS 32 H LYS 32 20.612 0.929 -2.436
255 HA LYS 32 HA LYS 32 23.263 0.394 -1.506
256 HB2 LYS 32 2HB LYS 32 22.458 -1.646 -0.802
257 HB3 LYS 32 1HB LYS 32 20.964 -0.722 -0.860
258 HG2 LYS 32 2HG LYS 32 20.684 -1.658 -3.221
259 HG3 LYS 32 1HG LYS 32 21.953 -2.799 -2.781
260 HD2 LYS 32 2HD LYS 32 19.366 -2.414 -1.272
261 HD3 LYS 32 1HD LYS 32 19.683 -3.709 -2.428
262 HE2 LYS 32 2HE LYS 32 21.541 -4.489 -1.016
263 HE3 LYS 32 1HE LYS 32 21.176 -3.216 0.148
264 HZ1 LYS 32 3HZ LYS 32 19.365 -5.438 -0.629
265 HZ2 LYS 32 1HZ LYS 32 18.980 -4.200 0.459
266 HZ3 LYS 32 2HZ LYS 32 20.206 -5.304 0.833
267 H LEU 33 H LEU 33 21.625 0.199 -4.525
268 HA LEU 33 HA LEU 33 23.494 -1.624 -5.757
269 HB2 LEU 33 2HB LEU 33 21.593 0.170 -7.235
270 HB3 LEU 33 1HB LEU 33 22.210 -1.399 -7.717
271 HG LEU 33 HG LEU 33 20.209 -0.886 -5.520
272 HD11 LEU 33 1HD1 LEU 33 18.633 -2.015 -7.022
273 HD12 LEU 33 2HD1 LEU 33 19.882 -2.085 -8.266
274 HD13 LEU 33 3HD1 LEU 33 19.265 -0.524 -7.724
275 HD21 LEU 33 3HD2 LEU 33 21.294 -3.478 -6.621
276 HD22 LEU 33 1HD2 LEU 33 19.980 -3.327 -5.455
277 HD23 LEU 33 2HD2 LEU 33 21.610 -2.815 -5.017
278 H TYR 34 H TYR 34 22.607 1.769 -6.371
279 HA TYR 34 HA TYR 34 24.961 2.269 -7.911
280 HB2 TYR 34 2HB TYR 34 22.979 4.229 -6.736
281 HB3 TYR 34 1HB TYR 34 24.164 4.582 -7.989
282 HD1 TYR 34 1HD TYR 34 23.844 3.784 -10.265
283 HD2 TYR 34 2HD TYR 34 20.959 2.968 -7.241
284 HE1 TYR 34 1HE TYR 34 22.217 3.145 -11.996
285 HE2 TYR 34 2HE TYR 34 19.327 2.328 -8.965
286 HH TYR 34 HH TYR 34 18.909 2.735 -11.350
Start of MODEL 10
1 H1 MET 1 1HT MET 1 -28.573 -3.467 -2.745
2 H2 MET 1 2HT MET 1 -28.019 -3.493 -4.343
3 H3 MET 1 3HT MET 1 -28.897 -2.164 -3.775
4 HA MET 1 HA MET 1 -26.582 -1.603 -3.897
5 HB2 MET 1 2HB MET 1 -27.486 -2.003 -1.038
6 HB3 MET 1 1HB MET 1 -26.235 -0.892 -1.573
7 HG2 MET 1 2HG MET 1 -28.106 0.449 -1.255
8 HG3 MET 1 1HG MET 1 -28.044 0.196 -2.998
9 HE1 MET 1 2HE MET 1 -30.965 -1.979 -0.161
10 HE2 MET 1 3HE MET 1 -29.836 -0.729 0.364
11 HE3 MET 1 1HE MET 1 -29.230 -2.293 -0.183
12 H ALA 2 H ALA 2 -24.572 -1.842 -2.245
13 HA ALA 2 HA ALA 2 -23.978 -4.530 -1.472
14 HB1 ALA 2 1HB ALA 2 -22.143 -4.908 -3.043
15 HB2 ALA 2 2HB ALA 2 -22.545 -3.406 -3.877
16 HB3 ALA 2 3HB ALA 2 -23.686 -4.752 -3.886
17 H GLU 3 H GLU 3 -21.435 -4.627 -1.117
18 HA GLU 3 HA GLU 3 -19.776 -3.975 0.288
19 HB2 GLU 3 2HB GLU 3 -19.326 -2.620 -1.772
20 HB3 GLU 3 1HB GLU 3 -20.168 -1.278 -1.008
21 HG2 GLU 3 2HG GLU 3 -18.532 -1.252 0.788
22 HG3 GLU 3 1HG GLU 3 -17.702 -2.628 0.062
23 H MET 4 H MET 4 -20.839 -0.675 0.394
24 HA MET 4 HA MET 4 -21.231 0.642 2.234
25 HB2 MET 4 2HB MET 4 -23.431 -1.418 2.370
26 HB3 MET 4 1HB MET 4 -23.419 0.054 3.330
27 HG2 MET 4 2HG MET 4 -23.352 1.368 1.238
28 HG3 MET 4 1HG MET 4 -23.493 -0.135 0.330
29 HE1 MET 4 3HE MET 4 -25.478 -1.794 2.225
30 HE2 MET 4 1HE MET 4 -25.616 -1.746 0.468
31 HE3 MET 4 2HE MET 4 -27.027 -1.414 1.473
32 H GLY 5 H GLY 5 -19.240 -0.035 3.317
33 HA2 GLY 5 2HA GLY 5 -19.813 -0.957 5.986
34 HA3 GLY 5 1HA GLY 5 -18.834 -2.082 5.058
35 H SER 6 H SER 6 -18.545 1.311 4.456
36 HA SER 6 HA SER 6 -16.776 2.726 4.605
37 HB2 SER 6 2HB SER 6 -16.361 1.513 7.339
38 HB3 SER 6 1HB SER 6 -15.967 3.145 6.808
39 HG SER 6 HG SER 6 -18.308 2.167 7.752
40 H LYS 7 H LYS 7 -16.287 -0.116 3.706
41 HA LYS 7 HA LYS 7 -13.572 -0.658 4.532
42 HB2 LYS 7 2HB LYS 7 -15.251 -1.966 2.384
43 HB3 LYS 7 1HB LYS 7 -13.709 -2.560 2.986
44 HG2 LYS 7 2HG LYS 7 -16.162 -2.222 4.695
45 HG3 LYS 7 1HG LYS 7 -15.707 -3.730 3.901
46 HD2 LYS 7 2HD LYS 7 -13.941 -2.244 5.843
47 HD3 LYS 7 1HD LYS 7 -15.013 -3.568 6.298
48 HE2 LYS 7 2HE LYS 7 -13.824 -5.032 4.701
49 HE3 LYS 7 1HE LYS 7 -12.718 -3.707 4.346
50 HZ1 LYS 7 3HZ LYS 7 -12.032 -3.712 6.667
51 HZ2 LYS 7 1HZ LYS 7 -11.772 -5.227 5.959
52 HZ3 LYS 7 2HZ LYS 7 -13.085 -4.993 6.998
53 H GLY 8 H GLY 8 -15.178 0.203 1.467
54 HA2 GLY 8 2HA GLY 8 -12.722 0.533 0.048
55 HA3 GLY 8 1HA GLY 8 -14.315 1.016 -0.507
56 H VAL 9 H VAL 9 -14.921 2.793 1.654
57 HA VAL 9 HA VAL 9 -13.643 5.129 0.657
58 HB VAL 9 HB VAL 9 -14.942 6.354 2.311
59 HG11 VAL 9 1HG1 VAL 9 -16.520 4.151 0.991
60 HG12 VAL 9 2HG1 VAL 9 -16.037 5.675 0.248
61 HG13 VAL 9 3HG1 VAL 9 -17.180 5.672 1.590
62 HG21 VAL 9 3HG2 VAL 9 -15.702 3.637 3.377
63 HG22 VAL 9 1HG2 VAL 9 -16.420 5.169 3.878
64 HG23 VAL 9 2HG2 VAL 9 -14.717 4.845 4.201
65 H THR 10 H THR 10 -13.142 3.102 3.468
66 HA THR 10 HA THR 10 -11.330 5.006 4.697
67 HB THR 10 HB THR 10 -12.065 2.189 5.514
68 HG1 THR 10 1HG THR 10 -13.215 3.393 7.175
69 HG21 THR 10 3HG2 THR 10 -9.845 2.781 6.342
70 HG22 THR 10 1HG2 THR 10 -11.011 2.752 7.665
71 HG23 THR 10 2HG2 THR 10 -10.478 4.293 6.993
72 H ALA 11 H ALA 11 -11.003 1.586 3.715
73 HA ALA 11 HA ALA 11 -8.202 1.547 3.780
74 HB1 ALA 11 1HB ALA 11 -9.605 -0.471 3.795
75 HB2 ALA 11 2HB ALA 11 -8.356 -0.536 2.551
76 HB3 ALA 11 3HB ALA 11 -10.023 -0.177 2.107
77 H GLY 12 H GLY 12 -10.274 3.083 1.600
78 HA2 GLY 12 2HA GLY 12 -8.762 2.821 -0.796
79 HA3 GLY 12 1HA GLY 12 -9.983 4.041 -0.471
80 H LYS 13 H LYS 13 -9.045 5.554 1.481
81 HA LYS 13 HA LYS 13 -7.021 7.081 0.237
82 HB2 LYS 13 2HB LYS 13 -7.037 8.399 2.382
83 HB3 LYS 13 1HB LYS 13 -8.595 8.243 1.584
84 HG2 LYS 13 2HG LYS 13 -9.150 7.886 3.782
85 HG3 LYS 13 1HG LYS 13 -8.930 6.236 3.204
86 HD2 LYS 13 2HD LYS 13 -7.842 6.445 5.328
87 HD3 LYS 13 1HD LYS 13 -6.601 6.304 4.084
88 HE2 LYS 13 2HE LYS 13 -6.007 8.020 5.702
89 HE3 LYS 13 1HE LYS 13 -6.296 8.733 4.116
90 HZ1 LYS 13 3HZ LYS 13 -8.233 8.695 6.368
91 HZ2 LYS 13 1HZ LYS 13 -8.498 9.392 4.849
92 HZ3 LYS 13 2HZ LYS 13 -7.319 10.031 5.879
93 H ILE 14 H ILE 14 -6.897 4.436 2.413
94 HA ILE 14 HA ILE 14 -4.365 4.952 3.597
95 HB ILE 14 HB ILE 14 -5.803 2.326 3.164
96 HG12 ILE 14 2HG1 ILE 14 -7.078 3.880 4.544
97 HG13 ILE 14 1HG1 ILE 14 -6.437 2.577 5.542
98 HG21 ILE 14 1HG2 ILE 14 -4.340 1.471 4.964
99 HG22 ILE 14 2HG2 ILE 14 -3.433 2.982 4.909
100 HG23 ILE 14 3HG2 ILE 14 -3.451 1.913 3.507
101 HD11 ILE 14 3HD1 ILE 14 -4.661 4.044 6.322
102 HD12 ILE 14 1HD1 ILE 14 -6.251 4.736 6.645
103 HD13 ILE 14 2HD1 ILE 14 -5.280 5.342 5.302
104 H ALA 15 H ALA 15 -5.392 3.087 0.773
105 HA ALA 15 HA ALA 15 -2.962 1.960 0.050
106 HB1 ALA 15 1HB ALA 15 -3.862 1.800 -2.212
107 HB2 ALA 15 2HB ALA 15 -5.127 2.956 -1.798
108 HB3 ALA 15 3HB ALA 15 -5.085 1.376 -1.015
109 H SER 16 H SER 16 -4.328 5.059 -1.008
110 HA SER 16 HA SER 16 -2.136 5.873 -2.554
111 HB2 SER 16 2HB SER 16 -4.339 6.948 -2.718
112 HB3 SER 16 1HB SER 16 -4.159 7.583 -1.083
113 HG SER 16 HG SER 16 -2.021 8.232 -2.587
114 H ASN 17 H ASN 17 -2.815 6.139 0.867
115 HA ASN 17 HA ASN 17 -0.765 7.991 1.503
116 HB2 ASN 17 2HB ASN 17 -2.495 6.122 3.058
117 HB3 ASN 17 1HB ASN 17 -1.137 6.895 3.860
118 HD21 ASN 17 1HD2 ASN 17 -3.993 7.206 4.316
119 HD22 ASN 17 2HD2 ASN 17 -4.337 8.884 4.096
120 H VAL 18 H VAL 18 -0.938 4.451 1.771
121 HA VAL 18 HA VAL 18 1.680 4.127 2.774
122 HB VAL 18 HB VAL 18 1.434 1.761 2.203
123 HG11 VAL 18 1HG1 VAL 18 -0.544 1.288 3.569
124 HG12 VAL 18 2HG1 VAL 18 -1.053 2.968 3.402
125 HG13 VAL 18 3HG1 VAL 18 0.435 2.580 4.263
126 HG21 VAL 18 3HG2 VAL 18 -0.566 0.927 1.108
127 HG22 VAL 18 1HG2 VAL 18 0.298 2.043 0.050
128 HG23 VAL 18 2HG2 VAL 18 -1.155 2.576 0.896
129 H GLN 19 H GLN 19 0.414 4.552 -0.411
130 HA GLN 19 HA GLN 19 2.296 3.338 -2.012
131 HB2 GLN 19 2HB GLN 19 0.090 4.825 -2.439
132 HB3 GLN 19 1HB GLN 19 1.329 5.977 -2.911
133 HG2 GLN 19 2HG GLN 19 1.395 3.201 -3.990
134 HG3 GLN 19 1HG GLN 19 0.283 4.384 -4.672
135 HE21 GLN 19 1HE2 GLN 19 1.328 4.369 -6.653
136 HE22 GLN 19 2HE2 GLN 19 2.869 5.112 -6.893
137 H LYS 20 H LYS 20 2.448 6.729 -0.793
138 HA LYS 20 HA LYS 20 4.848 7.301 -2.112
139 HB2 LYS 20 2HB LYS 20 4.734 9.365 -1.211
140 HB3 LYS 20 1HB LYS 20 3.106 8.851 -0.802
141 HG2 LYS 20 2HG LYS 20 5.493 8.728 1.030
142 HG3 LYS 20 1HG LYS 20 4.208 9.941 1.075
143 HD2 LYS 20 2HD LYS 20 2.615 8.401 1.773
144 HD3 LYS 20 1HD LYS 20 3.583 7.030 1.228
145 HE2 LYS 20 2HE LYS 20 3.584 7.164 3.660
146 HE3 LYS 20 1HE LYS 20 5.199 7.472 3.023
147 HZ1 LYS 20 3HZ LYS 20 4.811 9.844 3.302
148 HZ2 LYS 20 1HZ LYS 20 4.633 9.029 4.774
149 HZ3 LYS 20 2HZ LYS 20 3.266 9.541 3.921
150 H LYS 21 H LYS 21 4.232 5.561 0.791
151 HA LYS 21 HA LYS 21 6.853 5.795 1.882
152 HB2 LYS 21 2HB LYS 21 5.559 5.086 3.581
153 HB3 LYS 21 1HB LYS 21 4.385 4.344 2.507
154 HG2 LYS 21 2HG LYS 21 6.978 2.951 2.816
155 HG3 LYS 21 1HG LYS 21 5.889 2.952 4.206
156 HD2 LYS 21 2HD LYS 21 4.797 2.290 1.513
157 HD3 LYS 21 1HD LYS 21 5.736 1.071 2.377
158 HE2 LYS 21 2HE LYS 21 3.165 1.138 2.675
159 HE3 LYS 21 1HE LYS 21 4.189 0.910 4.092
160 HZ1 LYS 21 3HZ LYS 21 3.924 3.200 4.665
161 HZ2 LYS 21 1HZ LYS 21 2.384 2.549 4.408
162 HZ3 LYS 21 2HZ LYS 21 3.097 3.532 3.230
163 H LEU 22 H LEU 22 5.206 3.386 -0.133
164 HA LEU 22 HA LEU 22 7.441 1.646 -0.358
165 HB2 LEU 22 2HB LEU 22 5.051 2.023 -2.172
166 HB3 LEU 22 1HB LEU 22 6.217 0.723 -2.326
167 HG LEU 22 HG LEU 22 4.422 1.172 0.054
168 HD11 LEU 22 1HD1 LEU 22 4.267 -0.862 -2.164
169 HD12 LEU 22 2HD1 LEU 22 3.161 0.487 -1.909
170 HD13 LEU 22 3HD1 LEU 22 3.242 -0.823 -0.730
171 HD21 LEU 22 3HD2 LEU 22 6.326 -1.071 -0.618
172 HD22 LEU 22 1HD2 LEU 22 5.187 -1.070 0.731
173 HD23 LEU 22 2HD2 LEU 22 6.504 0.103 0.686
174 H THR 23 H THR 23 6.391 4.527 -1.925
175 HA THR 23 HA THR 23 8.005 4.400 -4.245
176 HB THR 23 HB THR 23 6.360 6.441 -2.871
177 HG1 THR 23 1HG THR 23 5.489 5.341 -4.602
178 HG21 THR 23 3HG2 THR 23 8.567 7.240 -4.768
179 HG22 THR 23 1HG2 THR 23 8.382 7.741 -3.087
180 HG23 THR 23 2HG2 THR 23 7.214 8.270 -4.297
181 H ARG 24 H ARG 24 8.449 5.967 -1.079
182 HA ARG 24 HA ARG 24 11.029 6.991 -1.679
183 HB2 ARG 24 2HB ARG 24 9.583 6.468 0.916
184 HB3 ARG 24 1HB ARG 24 11.213 7.124 0.870
185 HG2 ARG 24 2HG ARG 24 10.360 9.007 -0.501
186 HG3 ARG 24 1HG ARG 24 8.728 8.372 -0.282
187 HD2 ARG 24 2HD ARG 24 8.885 8.666 2.105
188 HD3 ARG 24 1HD ARG 24 10.575 9.148 1.971
189 HE ARG 24 HE ARG 24 8.672 10.789 0.525
190 HH11 ARG 24 1HH1 ARG 24 10.530 10.326 3.437
191 HH12 ARG 24 2HH1 ARG 24 10.450 11.992 3.905
192 HH21 ARG 24 1HH2 ARG 24 8.562 12.984 1.134
193 HH22 ARG 24 2HH2 ARG 24 9.330 13.501 2.599
194 H ALA 25 H ALA 25 9.815 3.983 -0.401
195 HA ALA 25 HA ALA 25 12.173 2.885 0.614
196 HB1 ALA 25 1HB ALA 25 11.071 0.716 0.352
197 HB2 ALA 25 2HB ALA 25 9.840 1.463 -0.667
198 HB3 ALA 25 3HB ALA 25 9.974 1.918 1.032
199 H GLN 26 H GLN 26 10.807 2.787 -2.662
200 HA GLN 26 HA GLN 26 12.665 1.048 -3.813
201 HB2 GLN 26 2HB GLN 26 11.126 3.342 -5.032
202 HB3 GLN 26 1HB GLN 26 12.069 2.195 -5.972
203 HG2 GLN 26 2HG GLN 26 10.655 0.373 -5.010
204 HG3 GLN 26 1HG GLN 26 9.640 1.624 -4.297
205 HE21 GLN 26 1HE2 GLN 26 9.987 3.418 -6.587
206 HE22 GLN 26 2HE2 GLN 26 9.005 2.769 -7.850
207 H GLU 27 H GLU 27 12.728 4.582 -3.501
208 HA GLU 27 HA GLU 27 15.201 4.934 -4.828
209 HB2 GLU 27 2HB GLU 27 13.967 6.706 -2.712
210 HB3 GLU 27 1HB GLU 27 15.216 7.164 -3.863
211 HG2 GLU 27 2HG GLU 27 13.635 6.800 -5.702
212 HG3 GLU 27 1HG GLU 27 12.384 6.393 -4.528
213 H LYS 28 H LYS 28 14.345 4.059 -1.576
214 HA LYS 28 HA LYS 28 16.918 4.591 -0.454
215 HB2 LYS 28 2HB LYS 28 14.655 4.411 0.760
216 HB3 LYS 28 1HB LYS 28 14.955 2.675 0.734
217 HG2 LYS 28 2HG LYS 28 17.207 3.204 1.780
218 HG3 LYS 28 1HG LYS 28 16.566 4.822 2.069
219 HD2 LYS 28 2HD LYS 28 15.168 2.324 2.970
220 HD3 LYS 28 1HD LYS 28 16.341 3.180 3.972
221 HE2 LYS 28 2HE LYS 28 14.954 5.216 3.789
222 HE3 LYS 28 1HE LYS 28 13.766 4.297 2.867
223 HZ1 LYS 28 3HZ LYS 28 13.131 4.459 5.182
224 HZ2 LYS 28 1HZ LYS 28 14.590 3.752 5.668
225 HZ3 LYS 28 2HZ LYS 28 13.465 2.849 4.785
226 H VAL 29 H VAL 29 15.301 1.656 -1.643
227 HA VAL 29 HA VAL 29 17.297 -0.143 -0.828
228 HB VAL 29 HB VAL 29 16.369 -1.729 -2.448
229 HG11 VAL 29 1HG1 VAL 29 14.291 -0.165 -0.924
230 HG12 VAL 29 2HG1 VAL 29 15.280 -1.486 -0.300
231 HG13 VAL 29 3HG1 VAL 29 14.080 -1.799 -1.554
232 HG21 VAL 29 3HG2 VAL 29 15.942 -0.068 -4.250
233 HG22 VAL 29 1HG2 VAL 29 14.548 0.500 -3.332
234 HG23 VAL 29 2HG2 VAL 29 14.587 -1.154 -3.942
235 H LEU 30 H LEU 30 16.941 1.733 -3.822
236 HA LEU 30 HA LEU 30 19.055 0.486 -5.199
237 HB2 LEU 30 2HB LEU 30 19.026 2.328 -6.717
238 HB3 LEU 30 1HB LEU 30 17.374 1.944 -6.284
239 HG LEU 30 HG LEU 30 17.710 3.868 -4.530
240 HD11 LEU 30 1HD1 LEU 30 20.097 4.173 -5.010
241 HD12 LEU 30 2HD1 LEU 30 19.167 5.636 -5.331
242 HD13 LEU 30 3HD1 LEU 30 19.695 4.614 -6.669
243 HD21 LEU 30 3HD2 LEU 30 17.381 4.540 -7.443
244 HD22 LEU 30 1HD2 LEU 30 16.698 5.389 -6.054
245 HD23 LEU 30 2HD2 LEU 30 16.129 3.770 -6.468
246 H GLN 31 H GLN 31 18.969 2.997 -2.780
247 HA GLN 31 HA GLN 31 21.587 3.976 -3.077
248 HB2 GLN 31 2HB GLN 31 19.770 3.817 -0.667
249 HB3 GLN 31 1HB GLN 31 21.346 4.597 -0.624
250 HG2 GLN 31 2HG GLN 31 20.608 6.128 -2.404
251 HG3 GLN 31 1HG GLN 31 19.014 5.378 -2.356
252 HE21 GLN 31 1HE2 GLN 31 19.125 5.030 0.553
253 HE22 GLN 31 2HE2 GLN 31 18.847 6.596 1.227
254 H LYS 32 H LYS 32 20.305 1.100 -1.635
255 HA LYS 32 HA LYS 32 22.612 0.401 -0.111
256 HB2 LYS 32 2HB LYS 32 20.400 -1.379 -1.158
257 HB3 LYS 32 1HB LYS 32 21.537 -1.783 0.120
258 HG2 LYS 32 2HG LYS 32 20.592 -0.169 1.586
259 HG3 LYS 32 1HG LYS 32 19.612 0.521 0.290
260 HD2 LYS 32 2HD LYS 32 18.311 -1.514 0.142
261 HD3 LYS 32 1HD LYS 32 19.342 -2.294 1.343
262 HE2 LYS 32 2HE LYS 32 18.635 -0.654 3.015
263 HE3 LYS 32 1HE LYS 32 17.610 0.131 1.813
264 HZ1 LYS 32 3HZ LYS 32 16.318 -1.903 1.638
265 HZ2 LYS 32 1HZ LYS 32 16.340 -1.351 3.238
266 HZ3 LYS 32 2HZ LYS 32 17.307 -2.662 2.781
267 H LEU 33 H LEU 33 21.583 -0.033 -3.400
268 HA LEU 33 HA LEU 33 23.575 -2.028 -4.023
269 HB2 LEU 33 2HB LEU 33 22.144 -0.417 -6.096
270 HB3 LEU 33 1HB LEU 33 22.661 -2.090 -6.160
271 HG LEU 33 HG LEU 33 20.330 -1.008 -4.579
272 HD11 LEU 33 1HD1 LEU 33 18.981 -2.324 -6.148
273 HD12 LEU 33 2HD1 LEU 33 20.443 -2.731 -7.049
274 HD13 LEU 33 3HD1 LEU 33 19.897 -1.056 -6.962
275 HD21 LEU 33 3HD2 LEU 33 21.366 -3.826 -4.876
276 HD22 LEU 33 1HD2 LEU 33 19.829 -3.383 -4.133
277 HD23 LEU 33 2HD2 LEU 33 21.344 -2.861 -3.400
278 H TYR 34 H TYR 34 22.958 1.205 -5.376
279 HA TYR 34 HA TYR 34 25.544 1.507 -6.453
280 HB2 TYR 34 2HB TYR 34 23.524 3.647 -5.744
281 HB3 TYR 34 1HB TYR 34 24.907 3.851 -6.814
282 HD1 TYR 34 1HD TYR 34 24.947 2.705 -9.013
283 HD2 TYR 34 2HD TYR 34 21.499 2.626 -6.515
284 HE1 TYR 34 1HE TYR 34 23.578 2.002 -10.930
285 HE2 TYR 34 2HE TYR 34 20.124 1.923 -8.428
286 HH TYR 34 HH TYR 34 21.456 0.834 -11.351