NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
612841 |
2nct   |
26035 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 H1 LYS 1 H LYS 1 17.182 7.129 -0.801
2 HA LYS 1 HA LYS 1 17.664 6.100 -3.167
3 HB2 LYS 1 1HB LYS 1 16.018 8.540 -3.584
4 HB3 LYS 1 2HB LYS 1 17.353 8.276 -4.698
5 HG2 LYS 1 1HG LYS 1 15.283 6.176 -4.127
6 HG3 LYS 1 2HG LYS 1 15.101 7.382 -5.404
7 HD2 LYS 1 1HD LYS 1 17.371 6.595 -6.249
8 HD3 LYS 1 2HD LYS 1 17.183 5.224 -5.153
9 HE2 LYS 1 1HE LYS 1 15.124 4.586 -6.271
10 HE3 LYS 1 2HE LYS 1 15.236 5.995 -7.325
11 HZ1 LYS 1 3HZ LYS 1 16.517 3.453 -7.557
12 HZ2 LYS 1 1HZ LYS 1 17.633 4.723 -7.632
13 HZ3 LYS 1 2HZ LYS 1 16.333 4.674 -8.713
14 H LYS 2 H LYS 2 17.860 9.598 -2.498
15 HA LYS 2 HA LYS 2 20.658 9.671 -3.076
16 HB2 LYS 2 1HB LYS 2 19.058 11.791 -1.643
17 HB3 LYS 2 2HB LYS 2 20.540 12.004 -2.565
18 HG2 LYS 2 1HG LYS 2 17.923 11.116 -3.757
19 HG3 LYS 2 2HG LYS 2 18.489 12.787 -3.725
20 HD2 LYS 2 1HD LYS 2 20.641 11.691 -4.815
21 HD3 LYS 2 2HD LYS 2 19.468 10.471 -5.316
22 HE2 LYS 2 1HE LYS 2 18.406 13.098 -5.768
23 HE3 LYS 2 2HE LYS 2 19.996 12.959 -6.516
24 HZ1 LYS 2 3HZ LYS 2 17.720 11.097 -6.939
25 HZ2 LYS 2 1HZ LYS 2 19.246 10.969 -7.659
26 HZ3 LYS 2 2HZ LYS 2 18.243 12.279 -8.030
27 H LYS 3 H LYS 3 21.873 11.188 -1.241
28 HA LYS 3 HA LYS 3 22.985 11.146 0.742
29 HB2 LYS 3 1HB LYS 3 20.288 10.959 1.399
30 HB3 LYS 3 2HB LYS 3 21.040 9.660 2.315
31 HG2 LYS 3 1HG LYS 3 21.206 11.383 3.803
32 HG3 LYS 3 2HG LYS 3 22.755 11.527 2.970
33 HD2 LYS 3 1HD LYS 3 22.203 13.497 2.023
34 HD3 LYS 3 2HD LYS 3 20.534 13.004 1.732
35 HE2 LYS 3 1HE LYS 3 20.084 14.508 3.348
36 HE3 LYS 3 2HE LYS 3 20.524 13.182 4.423
37 HZ1 LYS 3 3HZ LYS 3 22.694 14.061 4.679
38 HZ2 LYS 3 1HZ LYS 3 21.623 15.350 4.912
39 HZ3 LYS 3 2HZ LYS 3 22.464 15.203 3.452
40 H LYS 4 H LYS 4 23.809 9.608 2.500
41 HA LYS 4 HA LYS 4 24.972 7.370 1.274
42 HB2 LYS 4 1HB LYS 4 24.911 8.539 3.978
43 HB3 LYS 4 2HB LYS 4 25.220 6.809 3.932
44 HG2 LYS 4 1HG LYS 4 27.023 7.341 2.215
45 HG3 LYS 4 2HG LYS 4 26.828 9.025 2.707
46 HD2 LYS 4 1HD LYS 4 28.268 8.613 4.356
47 HD3 LYS 4 2HD LYS 4 27.026 7.600 5.094
48 HE2 LYS 4 1HE LYS 4 27.905 5.641 4.115
49 HE3 LYS 4 2HE LYS 4 28.920 6.559 3.004
50 HZ1 LYS 4 3HZ LYS 4 29.360 5.896 5.805
51 HZ2 LYS 4 1HZ LYS 4 29.869 7.431 5.308
52 HZ3 LYS 4 2HZ LYS 4 30.474 6.050 4.541
53 H ASP 5 H ASP 5 24.853 5.150 2.568
54 HA ASP 5 HA ASP 5 23.666 3.222 2.808
55 HB2 ASP 5 1HB ASP 5 21.690 5.118 4.095
56 HB3 ASP 5 2HB ASP 5 21.640 3.363 4.231
57 H LYS 6 H LYS 6 23.331 2.801 0.619
58 HA LYS 6 HA LYS 6 21.005 3.859 -0.730
59 HB2 LYS 6 1HB LYS 6 23.462 2.807 -1.545
60 HB3 LYS 6 2HB LYS 6 22.274 1.617 -2.063
61 HG2 LYS 6 1HG LYS 6 22.174 4.556 -2.713
62 HG3 LYS 6 2HG LYS 6 22.767 3.291 -3.792
63 HD2 LYS 6 1HD LYS 6 19.978 3.406 -2.646
64 HD3 LYS 6 2HD LYS 6 20.425 3.967 -4.258
65 HE2 LYS 6 1HE LYS 6 21.424 1.318 -3.870
66 HE3 LYS 6 2HE LYS 6 19.712 1.357 -3.450
67 HZ1 LYS 6 3HZ LYS 6 19.973 0.868 -5.775
68 HZ2 LYS 6 1HZ LYS 6 20.915 2.253 -6.013
69 HZ3 LYS 6 2HZ LYS 6 19.279 2.402 -5.613
70 H TRP 7 H TRP 7 21.889 0.994 1.015
71 HA TRP 7 HA TRP 7 19.696 -0.592 0.028
72 HB2 TRP 7 2HB TRP 7 20.403 -2.198 1.801
73 HB3 TRP 7 3HB TRP 7 21.711 -1.734 0.715
74 HD1 TRP 7 1HD TRP 7 20.516 -1.275 4.329
75 HE1 TRP 7 1HE TRP 7 22.496 -0.438 5.745
76 HE3 TRP 7 3HE TRP 7 23.910 -0.480 0.589
77 HZ2 TRP 7 2HZ TRP 7 25.146 0.442 5.331
78 HZ3 TRP 7 3HZ TRP 7 26.144 0.361 1.183
79 HH2 TRP 7 2HH TRP 7 26.748 0.813 3.506
80 H ALA 8 H ALA 8 20.360 1.427 2.820
81 HA ALA 8 HA ALA 8 18.273 0.663 4.495
82 HB1 ALA 8 3HB ALA 8 19.271 3.486 4.186
83 HB2 ALA 8 1HB ALA 8 18.567 2.736 5.619
84 HB3 ALA 8 2HB ALA 8 20.157 2.228 5.047
85 H SER 9 H SER 9 18.304 3.015 1.846
86 HA SER 9 HA SER 9 15.663 3.945 2.218
87 HB2 SER 9 1HB SER 9 16.719 3.933 -0.545
88 HB3 SER 9 2HB SER 9 16.070 5.265 0.410
89 HG SER 9 HG SER 9 18.284 5.557 0.079
90 H LEU 10 H LEU 10 17.030 1.316 0.306
91 HA LEU 10 HA LEU 10 14.600 0.651 -1.023
92 HB2 LEU 10 1HB LEU 10 17.029 0.070 -1.661
93 HB3 LEU 10 2HB LEU 10 16.846 -1.273 -0.534
94 HG LEU 10 HG LEU 10 14.828 -0.945 -2.702
95 HD11 LEU 10 1HD1 LEU 10 17.022 -0.664 -3.802
96 HD12 LEU 10 2HD1 LEU 10 16.197 -2.148 -4.278
97 HD13 LEU 10 3HD1 LEU 10 17.530 -2.212 -3.126
98 HD21 LEU 10 3HD2 LEU 10 15.356 -3.552 -2.549
99 HD22 LEU 10 1HD2 LEU 10 14.230 -2.746 -1.456
100 HD23 LEU 10 2HD2 LEU 10 15.882 -3.076 -0.933
101 H TRP 11 H TRP 11 16.090 -0.284 1.996
102 HA TRP 11 HA TRP 11 14.553 -2.584 2.525
103 HB2 TRP 11 2HB TRP 11 16.617 -1.982 3.757
104 HB3 TRP 11 3HB TRP 11 15.756 -0.643 4.511
105 HD1 TRP 11 1HD TRP 11 16.354 -4.341 4.830
106 HE1 TRP 11 1HE TRP 11 15.100 -5.243 6.889
107 HE3 TRP 11 3HE TRP 11 13.498 -0.239 5.903
108 HZ2 TRP 11 2HZ TRP 11 13.157 -4.336 8.725
109 HZ3 TRP 11 3HZ TRP 11 11.967 -0.338 7.827
110 HH2 TRP 11 2HH TRP 11 11.801 -2.346 9.207
111 H ASN 12 H ASN 12 13.972 0.839 3.095
112 HA ASN 12 HA ASN 12 11.622 0.442 4.674
113 HB2 ASN 12 1HB ASN 12 13.057 2.498 4.752
114 HB3 ASN 12 2HB ASN 12 12.441 2.927 3.158
115 HD21 ASN 12 2HD2 ASN 12 11.969 3.163 6.466
116 HD22 ASN 12 1HD2 ASN 12 10.368 3.812 6.452
117 H TRP 13 H TRP 13 12.296 0.910 1.265
118 HA TRP 13 HA TRP 13 9.724 1.511 0.359
119 HB2 TRP 13 2HB TRP 13 11.868 1.593 -0.977
120 HB3 TRP 13 3HB TRP 13 11.750 -0.157 -1.137
121 HD1 TRP 13 1HD TRP 13 9.958 3.065 -2.235
122 HE1 TRP 13 1HE TRP 13 8.536 2.532 -4.314
123 HE3 TRP 13 3HE TRP 13 10.603 -2.005 -2.384
124 HZ2 TRP 13 2HZ TRP 13 7.787 0.264 -5.817
125 HZ3 TRP 13 3HZ TRP 13 9.499 -3.282 -4.173
126 HH2 TRP 13 2HH TRP 13 8.120 -2.170 -5.853
127 H PHE 14 H PHE 14 11.038 -1.428 1.564
128 HA PHE 14 HA PHE 14 9.545 -3.379 0.313
129 HB2 PHE 14 2HB PHE 14 11.350 -3.685 2.072
130 HB3 PHE 14 3HB PHE 14 10.107 -3.367 3.278
131 HD1 PHE 14 2HD PHE 14 10.688 -5.545 0.305
132 HD2 PHE 14 1HD PHE 14 9.026 -5.164 4.205
133 HE1 PHE 14 2HE PHE 14 10.045 -7.919 0.258
134 HE2 PHE 14 1HE PHE 14 8.380 -7.538 4.165
135 HZ PHE 14 HZ PHE 14 8.889 -8.918 2.189
136 H ASP 15 H ASP 15 8.669 -1.721 3.348
137 HA ASP 15 HA ASP 15 6.115 -2.798 3.607
138 HB2 ASP 15 1HB ASP 15 7.348 -1.498 5.357
139 HB3 ASP 15 2HB ASP 15 6.965 -0.027 4.467
140 H ILE 16 H ILE 16 7.228 0.018 1.806
141 HA ILE 16 HA ILE 16 4.657 0.999 1.124
142 HB ILE 16 HB ILE 16 7.365 1.422 -0.128
143 HG12 ILE 16 1HG1 ILE 16 6.816 3.790 0.784
144 HG13 ILE 16 2HG1 ILE 16 5.597 2.966 1.751
145 HG21 ILE 16 1HG2 ILE 16 5.937 3.456 -1.122
146 HG22 ILE 16 2HG2 ILE 16 6.168 1.933 -1.979
147 HG23 ILE 16 3HG2 ILE 16 4.681 2.219 -1.074
148 HD11 ILE 16 3HD1 ILE 16 7.807 3.381 2.868
149 HD12 ILE 16 1HD1 ILE 16 7.229 1.715 2.905
150 HD13 ILE 16 2HD1 ILE 16 8.494 2.184 1.770
151 H THR 17 H THR 17 6.726 -1.456 -0.216
152 HA THR 17 HA THR 17 5.767 -1.670 -2.805
153 HB THR 17 HB THR 17 6.298 -4.173 -1.257
154 HG1 THR 17 1HG THR 17 8.600 -3.631 -1.584
155 HG21 THR 17 3HG2 THR 17 7.755 -4.480 -3.386
156 HG22 THR 17 1HG2 THR 17 6.807 -3.137 -4.022
157 HG23 THR 17 2HG2 THR 17 6.002 -4.623 -3.517
158 H ASN 18 H ASN 18 4.524 -3.249 0.133
159 HA ASN 18 HA ASN 18 2.261 -4.338 -1.300
160 HB2 ASN 18 1HB ASN 18 3.616 -5.163 0.913
161 HB3 ASN 18 2HB ASN 18 2.219 -4.384 1.650
162 HD21 ASN 18 2HD2 ASN 18 0.118 -5.139 1.079
163 HD22 ASN 18 1HD2 ASN 18 -0.106 -6.765 0.540
164 H TRP 19 H TRP 19 2.991 -1.567 0.649
165 HA TRP 19 HA TRP 19 0.478 -0.841 1.577
166 HB2 TRP 19 2HB TRP 19 2.640 0.283 2.151
167 HB3 TRP 19 3HB TRP 19 2.603 1.061 0.571
168 HD1 TRP 19 1HD TRP 19 -0.234 0.703 3.201
169 HE1 TRP 19 1HE TRP 19 -1.147 3.058 3.699
170 HE3 TRP 19 3HE TRP 19 2.946 3.440 0.280
171 HZ2 TRP 19 2HZ TRP 19 -0.592 5.723 2.951
172 HZ3 TRP 19 3HZ TRP 19 2.687 5.886 0.226
173 HH2 TRP 19 2HH TRP 19 0.954 7.002 1.535
174 H LEU 20 H LEU 20 1.991 -0.166 -1.557
175 HA LEU 20 HA LEU 20 -0.027 1.471 -2.603
176 HB2 LEU 20 1HB LEU 20 2.273 -0.008 -3.620
177 HB3 LEU 20 2HB LEU 20 0.961 0.128 -4.789
178 HG LEU 20 HG LEU 20 1.126 2.691 -4.014
179 HD11 LEU 20 1HD1 LEU 20 3.007 2.126 -2.467
180 HD12 LEU 20 2HD1 LEU 20 3.379 3.373 -3.656
181 HD13 LEU 20 3HD1 LEU 20 3.976 1.730 -3.886
182 HD21 LEU 20 3HD2 LEU 20 2.805 1.297 -6.094
183 HD22 LEU 20 1HD2 LEU 20 2.551 3.040 -6.014
184 HD23 LEU 20 2HD2 LEU 20 1.184 1.963 -6.303
185 H TRP 21 H TRP 21 0.183 -1.978 -2.239
186 HA TRP 21 HA TRP 21 -1.996 -2.535 -4.047
187 HB2 TRP 21 2HB TRP 21 0.041 -4.044 -2.763
188 HB3 TRP 21 3HB TRP 21 -1.509 -4.713 -2.258
189 HD1 TRP 21 1HD TRP 21 0.885 -4.670 -5.129
190 HE1 TRP 21 1HE TRP 21 -0.080 -6.025 -7.094
191 HE3 TRP 21 3HE TRP 21 -3.904 -5.257 -3.437
192 HZ2 TRP 21 2HZ TRP 21 -2.545 -7.187 -7.830
193 HZ3 TRP 21 3HZ TRP 21 -5.503 -6.502 -4.832
194 HH2 TRP 21 2HH TRP 21 -4.836 -7.446 -6.983
195 H TYR 22 H TYR 22 -1.589 -1.845 -0.678
196 HA TYR 22 HA TYR 22 -4.162 -2.874 0.111
197 HB2 TYR 22 2HB TYR 22 -2.430 -2.898 1.769
198 HB3 TYR 22 3HB TYR 22 -2.107 -1.183 1.540
199 HD1 TYR 22 1HD TYR 22 -4.374 -3.644 3.036
200 HD2 TYR 22 2HD TYR 22 -3.547 0.498 2.528
201 HE1 TYR 22 1HE TYR 22 -5.957 -3.113 4.842
202 HE2 TYR 22 2HE TYR 22 -5.126 1.041 4.334
203 HH TYR 22 HH TYR 22 -6.602 -1.456 6.297
204 H ILE 23 H ILE 23 -2.754 0.285 -0.598
205 HA ILE 23 HA ILE 23 -4.946 1.864 0.170
206 HB ILE 23 HB ILE 23 -3.999 3.614 -1.256
207 HG12 ILE 23 1HG1 ILE 23 -2.011 1.523 -2.162
208 HG13 ILE 23 2HG1 ILE 23 -3.365 2.086 -3.135
209 HG21 ILE 23 1HG2 ILE 23 -2.545 3.993 0.376
210 HG22 ILE 23 2HG2 ILE 23 -2.734 2.318 0.895
211 HG23 ILE 23 3HG2 ILE 23 -1.465 2.748 -0.251
212 HD11 ILE 23 3HD1 ILE 23 -2.449 4.316 -3.180
213 HD12 ILE 23 1HD1 ILE 23 -1.135 3.825 -2.112
214 HD13 ILE 23 2HD1 ILE 23 -1.245 3.156 -3.740
215 H LYS 24 H LYS 24 -4.374 -0.082 -2.637
216 HA LYS 24 HA LYS 24 -6.350 1.168 -4.295
217 HB2 LYS 24 1HB LYS 24 -4.823 -1.422 -4.468
218 HB3 LYS 24 2HB LYS 24 -6.071 -1.002 -5.634
219 HG2 LYS 24 1HG LYS 24 -4.840 0.987 -6.274
220 HG3 LYS 24 2HG LYS 24 -3.608 0.633 -5.061
221 HD2 LYS 24 1HD LYS 24 -3.047 -1.439 -6.216
222 HD3 LYS 24 2HD LYS 24 -4.311 -1.130 -7.409
223 HE2 LYS 24 1HE LYS 24 -3.083 0.428 -8.499
224 HE3 LYS 24 2HE LYS 24 -2.336 1.028 -7.020
225 HZ1 LYS 24 3HZ LYS 24 -1.599 -1.639 -7.994
226 HZ2 LYS 24 1HZ LYS 24 -0.680 -0.523 -7.116
227 HZ3 LYS 24 2HZ LYS 24 -0.946 -0.285 -8.769
228 H LEU 25 H LEU 25 -6.222 -2.018 -2.689
229 HA LEU 25 HA LEU 25 -8.917 -2.665 -3.169
230 HB2 LEU 25 1HB LEU 25 -8.588 -4.333 -1.336
231 HB3 LEU 25 2HB LEU 25 -7.410 -4.413 -2.644
232 HG LEU 25 HG LEU 25 -6.058 -2.853 -0.931
233 HD11 LEU 25 1HD1 LEU 25 -8.238 -3.578 0.602
234 HD12 LEU 25 2HD1 LEU 25 -6.700 -2.953 1.196
235 HD13 LEU 25 3HD1 LEU 25 -6.972 -4.693 1.114
236 HD21 LEU 25 3HD2 LEU 25 -6.069 -5.810 -0.472
237 HD22 LEU 25 1HD2 LEU 25 -4.705 -4.693 -0.538
238 HD23 LEU 25 2HD2 LEU 25 -5.549 -5.144 -2.020
239 H PHE 26 H PHE 26 -7.317 -1.034 -0.485
240 HA PHE 26 HA PHE 26 -9.343 -1.001 1.389
241 HB2 PHE 26 2HB PHE 26 -7.176 -0.141 1.956
242 HB3 PHE 26 3HB PHE 26 -7.290 1.112 0.725
243 HD1 PHE 26 1HD PHE 26 -9.444 -0.057 3.544
244 HD2 PHE 26 2HD PHE 26 -7.533 3.210 1.597
245 HE1 PHE 26 1HE PHE 26 -10.391 1.486 5.211
246 HE2 PHE 26 2HE PHE 26 -8.476 4.758 3.261
247 HZ PHE 26 HZ PHE 26 -9.906 3.896 5.071
248 H ILE 27 H ILE 27 -8.681 1.608 -0.954
249 HA ILE 27 HA ILE 27 -11.000 3.077 -0.466
250 HB ILE 27 HB ILE 27 -9.462 2.875 -3.058
251 HG12 ILE 27 1HG1 ILE 27 -8.075 3.532 -1.120
252 HG13 ILE 27 2HG1 ILE 27 -8.258 4.847 -2.276
253 HG21 ILE 27 1HG2 ILE 27 -11.608 3.862 -3.464
254 HG22 ILE 27 2HG2 ILE 27 -11.437 4.921 -2.065
255 HG23 ILE 27 3HG2 ILE 27 -10.397 5.144 -3.472
256 HD11 ILE 27 3HD1 ILE 27 -8.826 4.833 0.493
257 HD12 ILE 27 1HD1 ILE 27 -8.991 6.156 -0.660
258 HD13 ILE 27 2HD1 ILE 27 -10.344 5.061 -0.374
259 H MET 28 H MET 28 -10.481 0.232 -2.406
260 HA MET 28 HA MET 28 -12.861 0.411 -3.950
261 HB2 MET 28 1HB MET 28 -10.886 -0.989 -4.550
262 HB3 MET 28 2HB MET 28 -11.292 -2.068 -3.222
263 HG2 MET 28 1HG MET 28 -13.640 -2.039 -4.517
264 HG3 MET 28 2HG MET 28 -12.545 -1.758 -5.868
265 HE1 MET 28 3HE MET 28 -13.064 -5.334 -3.192
266 HE2 MET 28 1HE MET 28 -13.894 -3.778 -3.215
267 HE3 MET 28 2HE MET 28 -14.295 -5.009 -4.413
268 H ILE 29 H ILE 29 -12.066 -0.982 -0.826
269 HA ILE 29 HA ILE 29 -14.585 -2.329 -0.527
270 HB ILE 29 HB ILE 29 -12.496 -1.663 1.551
271 HG12 ILE 29 1HG1 ILE 29 -12.819 -4.449 0.710
272 HG13 ILE 29 2HG1 ILE 29 -12.282 -3.391 -0.590
273 HG21 ILE 29 1HG2 ILE 29 -14.976 -3.350 1.630
274 HG22 ILE 29 2HG2 ILE 29 -13.633 -3.620 2.739
275 HG23 ILE 29 3HG2 ILE 29 -14.474 -2.071 2.735
276 HD11 ILE 29 3HD1 ILE 29 -10.234 -3.713 0.195
277 HD12 ILE 29 1HD1 ILE 29 -10.689 -2.657 1.531
278 HD13 ILE 29 2HD1 ILE 29 -10.834 -4.406 1.701
279 H VAL 30 H VAL 30 -13.194 0.732 0.527
280 HA VAL 30 HA VAL 30 -15.231 1.484 2.319
281 HB VAL 30 HB VAL 30 -13.458 3.279 0.656
282 HG11 VAL 30 1HG1 VAL 30 -13.916 4.665 2.901
283 HG12 VAL 30 2HG1 VAL 30 -14.922 4.809 1.459
284 HG13 VAL 30 3HG1 VAL 30 -15.436 3.778 2.795
285 HG21 VAL 30 3HG2 VAL 30 -12.943 1.589 2.974
286 HG22 VAL 30 1HG2 VAL 30 -11.814 2.377 1.872
287 HG23 VAL 30 2HG2 VAL 30 -12.492 3.275 3.230
288 H GLY 31 H GLY 31 -14.751 2.273 -1.122
289 HA2 GLY 31 1HA GLY 31 -17.024 3.872 -1.448
290 HA3 GLY 31 2HA GLY 31 -16.227 2.975 -2.732
291 H LYS 32 H LYS 32 -16.635 0.383 -2.036
292 HA LYS 32 HA LYS 32 -19.190 -0.158 -2.967
293 HB2 LYS 32 1HB LYS 32 -17.210 -1.819 -1.428
294 HB3 LYS 32 2HB LYS 32 -18.767 -2.475 -1.916
295 HG2 LYS 32 1HG LYS 32 -16.878 -1.229 -3.885
296 HG3 LYS 32 2HG LYS 32 -16.783 -2.932 -3.431
297 HD2 LYS 32 1HD LYS 32 -18.713 -3.468 -4.514
298 HD3 LYS 32 2HD LYS 32 -19.441 -1.887 -4.226
299 HE2 LYS 32 1HE LYS 32 -17.103 -1.745 -5.948
300 HE3 LYS 32 2HE LYS 32 -18.362 -2.790 -6.606
301 HZ1 LYS 32 3HZ LYS 32 -18.363 0.087 -6.204
302 HZ2 LYS 32 1HZ LYS 32 -19.813 -0.703 -5.835
303 HZ3 LYS 32 2HZ LYS 32 -19.144 -0.844 -7.382
304 H LYS 33 H LYS 33 -18.021 -0.504 0.386
305 HA LYS 33 HA LYS 33 -20.436 -1.163 1.573
306 HB2 LYS 33 1HB LYS 33 -18.123 0.422 2.701
307 HB3 LYS 33 2HB LYS 33 -19.445 -0.218 3.668
308 HG2 LYS 33 1HG LYS 33 -17.684 -1.954 1.962
309 HG3 LYS 33 2HG LYS 33 -17.326 -1.574 3.648
310 HD2 LYS 33 1HD LYS 33 -20.003 -2.382 3.618
311 HD3 LYS 33 2HD LYS 33 -19.162 -3.509 2.551
312 HE2 LYS 33 1HE LYS 33 -17.434 -3.699 4.433
313 HE3 LYS 33 2HE LYS 33 -18.648 -2.926 5.452
314 HZ1 LYS 33 3HZ LYS 33 -20.179 -4.770 4.598
315 HZ2 LYS 33 1HZ LYS 33 -19.015 -5.180 5.756
316 HZ3 LYS 33 2HZ LYS 33 -18.759 -5.561 4.128
317 H LYS 34 H LYS 34 -19.195 1.966 0.608
318 HA LYS 34 HA LYS 34 -20.908 3.647 2.015
319 HB2 LYS 34 1HB LYS 34 -18.906 4.116 0.346
320 HB3 LYS 34 2HB LYS 34 -20.214 4.307 -0.813
321 HG2 LYS 34 1HG LYS 34 -19.718 6.461 0.014
322 HG3 LYS 34 2HG LYS 34 -21.235 5.970 0.771
323 HD2 LYS 34 1HD LYS 34 -19.194 5.061 2.469
324 HD3 LYS 34 2HD LYS 34 -18.738 6.699 1.995
325 HE2 LYS 34 1HE LYS 34 -21.414 6.960 2.511
326 HE3 LYS 34 2HE LYS 34 -20.916 5.771 3.713
327 HZ1 LYS 34 3HZ LYS 34 -20.505 8.547 3.731
328 HZ2 LYS 34 1HZ LYS 34 -18.994 7.789 3.670
329 HZ3 LYS 34 2HZ LYS 34 -20.079 7.413 4.911
330 H LYS 35 H LYS 35 -21.497 1.652 -0.775
331 HA LYS 35 HA LYS 35 -23.377 1.163 -1.958
332 HB2 LYS 35 1HB LYS 35 -24.379 1.967 0.712
333 HB3 LYS 35 2HB LYS 35 -25.567 1.931 -0.584
334 HG2 LYS 35 1HG LYS 35 -23.756 -0.401 -0.105
335 HG3 LYS 35 2HG LYS 35 -25.223 -0.176 0.850
336 HD2 LYS 35 1HD LYS 35 -26.263 0.165 -1.582
337 HD3 LYS 35 2HD LYS 35 -24.901 -0.870 -2.016
338 HE2 LYS 35 1HE LYS 35 -26.263 -2.566 -1.486
339 HE3 LYS 35 2HE LYS 35 -25.906 -2.138 0.186
340 HZ1 LYS 35 3HZ LYS 35 -27.957 -0.469 -0.689
341 HZ2 LYS 35 1HZ LYS 35 -28.041 -1.700 0.469
342 HZ3 LYS 35 2HZ LYS 35 -28.372 -2.042 -1.153
343 H LYS 36 H LYS 36 -25.549 2.210 -2.769
344 HA LYS 36 HA LYS 36 -24.819 4.862 -3.744
345 HB2 LYS 36 1HB LYS 36 -26.742 2.746 -4.644
346 HB3 LYS 36 2HB LYS 36 -26.944 4.404 -5.194
347 HG2 LYS 36 1HG LYS 36 -24.437 4.205 -5.856
348 HG3 LYS 36 2HG LYS 36 -24.750 2.470 -5.776
349 HD2 LYS 36 1HD LYS 36 -25.766 2.512 -7.755
350 HD3 LYS 36 2HD LYS 36 -26.862 3.785 -7.211
351 HE2 LYS 36 1HE LYS 36 -25.387 5.488 -7.904
352 HE3 LYS 36 2HE LYS 36 -24.046 4.359 -8.090
353 HZ1 LYS 36 3HZ LYS 36 -25.559 5.222 -10.110
354 HZ2 LYS 36 1HZ LYS 36 -26.377 3.795 -9.715
355 HZ3 LYS 36 2HZ LYS 36 -24.736 3.744 -10.120
Start of MODEL 2
1 H1 LYS 1 H LYS 1 24.672 14.717 3.947
2 HA LYS 1 HA LYS 1 22.917 13.098 3.777
3 HB2 LYS 1 1HB LYS 1 21.806 15.852 4.323
4 HB3 LYS 1 2HB LYS 1 20.904 14.367 4.596
5 HG2 LYS 1 1HG LYS 1 23.250 13.895 5.933
6 HG3 LYS 1 2HG LYS 1 22.985 15.618 6.203
7 HD2 LYS 1 1HD LYS 1 20.732 15.147 7.026
8 HD3 LYS 1 2HD LYS 1 20.981 13.424 6.736
9 HE2 LYS 1 1HE LYS 1 23.130 13.957 8.266
10 HE3 LYS 1 2HE LYS 1 22.004 15.160 8.895
11 HZ1 LYS 1 3HZ LYS 1 22.053 12.821 9.936
12 HZ2 LYS 1 1HZ LYS 1 21.152 12.358 8.580
13 HZ3 LYS 1 2HZ LYS 1 20.555 13.543 9.628
14 H LYS 2 H LYS 2 22.693 12.297 1.698
15 HA LYS 2 HA LYS 2 20.304 12.994 0.338
16 HB2 LYS 2 1HB LYS 2 21.537 14.845 -0.551
17 HB3 LYS 2 2HB LYS 2 22.919 13.824 -0.921
18 HG2 LYS 2 1HG LYS 2 21.737 14.353 -2.946
19 HG3 LYS 2 2HG LYS 2 21.559 12.633 -2.594
20 HD2 LYS 2 1HD LYS 2 19.456 14.287 -1.421
21 HD3 LYS 2 2HD LYS 2 19.513 14.368 -3.183
22 HE2 LYS 2 1HE LYS 2 19.701 11.764 -2.991
23 HE3 LYS 2 2HE LYS 2 18.988 12.031 -1.402
24 HZ1 LYS 2 3HZ LYS 2 17.090 11.859 -2.575
25 HZ2 LYS 2 1HZ LYS 2 17.802 12.323 -4.039
26 HZ3 LYS 2 2HZ LYS 2 17.367 13.496 -2.901
27 H LYS 3 H LYS 3 23.480 11.778 -0.736
28 HA LYS 3 HA LYS 3 22.227 9.458 -1.923
29 HB2 LYS 3 1HB LYS 3 24.236 10.795 -2.849
30 HB3 LYS 3 2HB LYS 3 25.193 9.897 -1.678
31 HG2 LYS 3 1HG LYS 3 24.089 7.811 -2.756
32 HG3 LYS 3 2HG LYS 3 23.751 8.908 -4.098
33 HD2 LYS 3 1HD LYS 3 25.810 7.895 -4.624
34 HD3 LYS 3 2HD LYS 3 26.224 9.505 -4.028
35 HE2 LYS 3 1HE LYS 3 26.440 8.312 -1.732
36 HE3 LYS 3 2HE LYS 3 26.558 6.843 -2.698
37 HZ1 LYS 3 3HZ LYS 3 28.731 7.369 -2.676
38 HZ2 LYS 3 1HZ LYS 3 28.461 9.013 -2.385
39 HZ3 LYS 3 2HZ LYS 3 28.310 8.397 -3.952
40 H LYS 4 H LYS 4 24.101 10.238 0.922
41 HA LYS 4 HA LYS 4 24.957 7.719 1.709
42 HB2 LYS 4 1HB LYS 4 24.372 10.276 3.080
43 HB3 LYS 4 2HB LYS 4 24.404 8.847 4.103
44 HG2 LYS 4 1HG LYS 4 26.663 8.847 2.332
45 HG3 LYS 4 2HG LYS 4 26.577 10.368 3.225
46 HD2 LYS 4 1HD LYS 4 26.094 7.924 4.804
47 HD3 LYS 4 2HD LYS 4 27.732 8.118 4.177
48 HE2 LYS 4 1HE LYS 4 27.210 10.616 5.126
49 HE3 LYS 4 2HE LYS 4 26.313 9.615 6.267
50 HZ1 LYS 4 3HZ LYS 4 28.297 9.491 7.280
51 HZ2 LYS 4 1HZ LYS 4 29.174 9.875 5.885
52 HZ3 LYS 4 2HZ LYS 4 28.625 8.293 6.132
53 H ASP 5 H ASP 5 24.100 6.157 3.131
54 HA ASP 5 HA ASP 5 22.501 4.746 3.925
55 HB2 ASP 5 1HB ASP 5 20.684 7.140 4.168
56 HB3 ASP 5 2HB ASP 5 20.683 5.672 5.140
57 H LYS 6 H LYS 6 22.654 4.494 1.339
58 HA LYS 6 HA LYS 6 20.171 5.044 -0.017
59 HB2 LYS 6 1HB LYS 6 22.596 4.847 -0.996
60 HB3 LYS 6 2HB LYS 6 22.229 3.128 -1.052
61 HG2 LYS 6 1HG LYS 6 21.640 3.857 -3.164
62 HG3 LYS 6 2HG LYS 6 20.097 3.848 -2.307
63 HD2 LYS 6 1HD LYS 6 19.879 5.950 -3.052
64 HD3 LYS 6 2HD LYS 6 21.041 6.368 -1.791
65 HE2 LYS 6 1HE LYS 6 22.132 7.285 -3.556
66 HE3 LYS 6 2HE LYS 6 22.752 5.641 -3.704
67 HZ1 LYS 6 3HZ LYS 6 22.008 5.818 -5.793
68 HZ2 LYS 6 1HZ LYS 6 20.957 7.097 -5.438
69 HZ3 LYS 6 2HZ LYS 6 20.484 5.502 -5.127
70 H TRP 7 H TRP 7 21.619 2.374 1.691
71 HA TRP 7 HA TRP 7 19.782 0.396 0.728
72 HB2 TRP 7 2HB TRP 7 20.773 -1.059 2.419
73 HB3 TRP 7 3HB TRP 7 22.034 -0.197 1.542
74 HD1 TRP 7 1HD TRP 7 23.387 1.701 2.890
75 HE1 TRP 7 1HE TRP 7 23.741 2.071 5.412
76 HE3 TRP 7 3HE TRP 7 19.649 -1.292 4.681
77 HZ2 TRP 7 2HZ TRP 7 22.587 1.208 7.840
78 HZ3 TRP 7 3HZ TRP 7 19.341 -1.464 7.116
79 HH2 TRP 7 2HH TRP 7 20.782 -0.240 8.661
80 H ALA 8 H ALA 8 19.926 2.584 3.457
81 HA ALA 8 HA ALA 8 18.040 1.466 5.149
82 HB1 ALA 8 3HB ALA 8 18.655 4.361 4.596
83 HB2 ALA 8 1HB ALA 8 17.618 3.809 5.912
84 HB3 ALA 8 2HB ALA 8 19.319 3.344 5.873
85 H SER 9 H SER 9 17.562 3.498 2.299
86 HA SER 9 HA SER 9 14.715 3.651 2.636
87 HB2 SER 9 1HB SER 9 14.717 5.046 0.795
88 HB3 SER 9 2HB SER 9 16.382 5.246 1.339
89 HG SER 9 HG SER 9 15.489 4.305 -0.999
90 H LEU 10 H LEU 10 16.949 1.660 0.796
91 HA LEU 10 HA LEU 10 15.179 0.426 -0.956
92 HB2 LEU 10 1HB LEU 10 17.772 0.253 -0.672
93 HB3 LEU 10 2HB LEU 10 17.371 -1.137 0.335
94 HG LEU 10 HG LEU 10 16.113 -1.109 -2.328
95 HD11 LEU 10 1HD1 LEU 10 19.094 -1.377 -1.985
96 HD12 LEU 10 2HD1 LEU 10 18.230 -0.218 -2.994
97 HD13 LEU 10 3HD1 LEU 10 18.202 -1.933 -3.402
98 HD21 LEU 10 3HD2 LEU 10 15.747 -3.078 -1.210
99 HD22 LEU 10 1HD2 LEU 10 17.328 -3.055 -0.428
100 HD23 LEU 10 2HD2 LEU 10 17.194 -3.493 -2.131
101 H TRP 11 H TRP 11 16.203 -0.676 2.275
102 HA TRP 11 HA TRP 11 14.518 -2.927 2.367
103 HB2 TRP 11 2HB TRP 11 15.866 -1.279 4.497
104 HB3 TRP 11 3HB TRP 11 14.833 -2.645 4.908
105 HD1 TRP 11 1HD TRP 11 17.243 -2.705 1.916
106 HE1 TRP 11 1HE TRP 11 19.023 -4.514 2.342
107 HE3 TRP 11 3HE TRP 11 15.992 -3.959 6.711
108 HZ2 TRP 11 2HZ TRP 11 19.793 -6.245 4.434
109 HZ3 TRP 11 3HZ TRP 11 17.299 -5.701 7.854
110 HH2 TRP 11 2HH TRP 11 19.160 -6.821 6.737
111 H ASN 12 H ASN 12 13.926 0.443 2.925
112 HA ASN 12 HA ASN 12 11.513 0.115 4.420
113 HB2 ASN 12 1HB ASN 12 13.146 2.206 4.077
114 HB3 ASN 12 2HB ASN 12 11.964 2.588 2.828
115 HD21 ASN 12 2HD2 ASN 12 11.978 1.414 6.180
116 HD22 ASN 12 1HD2 ASN 12 10.721 2.465 6.729
117 H TRP 13 H TRP 13 12.337 0.249 1.040
118 HA TRP 13 HA TRP 13 9.851 0.887 -0.059
119 HB2 TRP 13 2HB TRP 13 12.055 0.707 -1.282
120 HB3 TRP 13 3HB TRP 13 11.840 -1.041 -1.263
121 HD1 TRP 13 1HD TRP 13 10.297 2.135 -2.788
122 HE1 TRP 13 1HE TRP 13 8.944 1.459 -4.871
123 HE3 TRP 13 3HE TRP 13 10.645 -2.948 -2.365
124 HZ2 TRP 13 2HZ TRP 13 8.132 -0.916 -6.163
125 HZ3 TRP 13 3HZ TRP 13 9.552 -4.350 -4.066
126 HH2 TRP 13 2HH TRP 13 8.321 -3.354 -5.924
127 H PHE 14 H PHE 14 10.929 -1.972 1.517
128 HA PHE 14 HA PHE 14 9.382 -3.962 0.401
129 HB2 PHE 14 2HB PHE 14 11.022 -4.411 2.147
130 HB3 PHE 14 3HB PHE 14 10.047 -3.533 3.321
131 HD1 PHE 14 1HD PHE 14 9.160 -6.100 0.768
132 HD2 PHE 14 2HD PHE 14 9.268 -5.025 4.886
133 HE1 PHE 14 1HE PHE 14 7.979 -8.182 1.339
134 HE2 PHE 14 2HE PHE 14 8.088 -7.105 5.463
135 HZ PHE 14 HZ PHE 14 7.443 -8.687 3.689
136 H ASP 15 H ASP 15 8.466 -1.939 3.194
137 HA ASP 15 HA ASP 15 5.842 -2.841 3.430
138 HB2 ASP 15 1HB ASP 15 7.079 -1.421 5.090
139 HB3 ASP 15 2HB ASP 15 6.802 -0.038 4.034
140 H ILE 16 H ILE 16 7.205 -0.302 1.403
141 HA ILE 16 HA ILE 16 4.731 0.738 0.487
142 HB ILE 16 HB ILE 16 7.515 0.874 -0.659
143 HG12 ILE 16 1HG1 ILE 16 7.067 3.354 -0.032
144 HG13 ILE 16 2HG1 ILE 16 5.758 2.708 0.951
145 HG21 ILE 16 1HG2 ILE 16 6.436 1.244 -2.614
146 HG22 ILE 16 2HG2 ILE 16 4.932 1.710 -1.822
147 HG23 ILE 16 3HG2 ILE 16 6.260 2.863 -1.937
148 HD11 ILE 16 3HD1 ILE 16 7.934 3.120 2.133
149 HD12 ILE 16 1HD1 ILE 16 7.256 1.502 2.315
150 HD13 ILE 16 2HD1 ILE 16 8.599 1.776 1.205
151 H THR 17 H THR 17 6.711 -1.957 -0.475
152 HA THR 17 HA THR 17 5.863 -2.398 -3.074
153 HB THR 17 HB THR 17 6.170 -4.744 -1.244
154 HG1 THR 17 1HG THR 17 8.566 -4.260 -1.727
155 HG21 THR 17 3HG2 THR 17 6.869 -4.043 -4.071
156 HG22 THR 17 1HG2 THR 17 5.953 -5.419 -3.458
157 HG23 THR 17 2HG2 THR 17 7.704 -5.361 -3.249
158 H ASN 18 H ASN 18 4.409 -3.633 -0.065
159 HA ASN 18 HA ASN 18 2.139 -4.700 -1.505
160 HB2 ASN 18 1HB ASN 18 3.222 -5.730 0.582
161 HB3 ASN 18 2HB ASN 18 2.386 -4.473 1.491
162 HD21 ASN 18 2HD2 ASN 18 1.553 -6.649 -1.190
163 HD22 ASN 18 1HD2 ASN 18 0.090 -7.235 -0.481
164 H TRP 19 H TRP 19 2.964 -1.834 0.260
165 HA TRP 19 HA TRP 19 0.504 -0.878 1.065
166 HB2 TRP 19 2HB TRP 19 2.698 0.203 1.535
167 HB3 TRP 19 3HB TRP 19 2.736 0.778 -0.130
168 HD1 TRP 19 1HD TRP 19 -0.207 0.907 2.399
169 HE1 TRP 19 1HE TRP 19 -0.966 3.358 2.602
170 HE3 TRP 19 3HE TRP 19 3.287 3.093 -0.627
171 HZ2 TRP 19 2HZ TRP 19 -0.189 5.883 1.609
172 HZ3 TRP 19 3HZ TRP 19 3.209 5.531 -0.948
173 HH2 TRP 19 2HH TRP 19 1.506 6.896 0.147
174 H LEU 20 H LEU 20 2.093 -0.314 -2.077
175 HA LEU 20 HA LEU 20 0.095 1.184 -3.277
176 HB2 LEU 20 1HB LEU 20 2.314 -0.518 -4.218
177 HB3 LEU 20 2HB LEU 20 1.038 -0.196 -5.391
178 HG LEU 20 HG LEU 20 2.129 2.155 -3.967
179 HD11 LEU 20 1HD1 LEU 20 3.774 0.368 -5.686
180 HD12 LEU 20 2HD1 LEU 20 4.241 1.340 -4.290
181 HD13 LEU 20 3HD1 LEU 20 3.962 2.115 -5.850
182 HD21 LEU 20 3HD2 LEU 20 1.155 3.191 -5.672
183 HD22 LEU 20 1HD2 LEU 20 0.549 1.626 -6.215
184 HD23 LEU 20 2HD2 LEU 20 2.077 2.245 -6.842
185 H TRP 21 H TRP 21 0.270 -2.247 -2.703
186 HA TRP 21 HA TRP 21 -1.929 -2.875 -4.464
187 HB2 TRP 21 2HB TRP 21 0.126 -4.337 -3.231
188 HB3 TRP 21 3HB TRP 21 -1.367 -4.929 -2.510
189 HD1 TRP 21 1HD TRP 21 0.284 -4.525 -5.978
190 HE1 TRP 21 1HE TRP 21 -0.727 -6.289 -7.556
191 HE3 TRP 21 3HE TRP 21 -3.285 -6.450 -2.864
192 HZ2 TRP 21 2HZ TRP 21 -2.767 -8.238 -7.490
193 HZ3 TRP 21 3HZ TRP 21 -4.725 -8.262 -3.699
194 HH2 TRP 21 2HH TRP 21 -4.470 -9.136 -5.964
195 H TYR 22 H TYR 22 -1.462 -2.108 -1.103
196 HA TYR 22 HA TYR 22 -4.044 -3.045 -0.257
197 HB2 TYR 22 2HB TYR 22 -1.995 -2.850 1.222
198 HB3 TYR 22 3HB TYR 22 -2.245 -1.108 1.203
199 HD1 TYR 22 1HD TYR 22 -3.703 -4.330 2.269
200 HD2 TYR 22 2HD TYR 22 -3.923 -0.091 2.550
201 HE1 TYR 22 1HE TYR 22 -5.277 -4.543 4.146
202 HE2 TYR 22 2HE TYR 22 -5.499 -0.291 4.428
203 HH TYR 22 HH TYR 22 -6.350 -3.445 5.783
204 H ILE 23 H ILE 23 -2.616 0.053 -1.152
205 HA ILE 23 HA ILE 23 -4.760 1.706 -0.405
206 HB ILE 23 HB ILE 23 -3.836 3.352 -1.982
207 HG12 ILE 23 1HG1 ILE 23 -1.836 1.214 -2.734
208 HG13 ILE 23 2HG1 ILE 23 -3.224 1.642 -3.731
209 HG21 ILE 23 1HG2 ILE 23 -2.541 2.184 0.239
210 HG22 ILE 23 2HG2 ILE 23 -1.297 2.576 -0.947
211 HG23 ILE 23 3HG2 ILE 23 -2.391 3.832 -0.369
212 HD11 ILE 23 3HD1 ILE 23 -1.226 3.701 -2.882
213 HD12 ILE 23 1HD1 ILE 23 -0.959 2.679 -4.294
214 HD13 ILE 23 2HD1 ILE 23 -2.363 3.744 -4.229
215 H LYS 24 H LYS 24 -4.312 -0.407 -3.109
216 HA LYS 24 HA LYS 24 -6.312 0.787 -4.779
217 HB2 LYS 24 1HB LYS 24 -4.830 -1.832 -4.845
218 HB3 LYS 24 2HB LYS 24 -6.116 -1.473 -5.989
219 HG2 LYS 24 1HG LYS 24 -4.886 0.476 -6.780
220 HG3 LYS 24 2HG LYS 24 -3.601 0.142 -5.616
221 HD2 LYS 24 1HD LYS 24 -3.298 -2.084 -6.710
222 HD3 LYS 24 2HD LYS 24 -4.447 -1.572 -7.949
223 HE2 LYS 24 1HE LYS 24 -2.805 0.513 -8.056
224 HE3 LYS 24 2HE LYS 24 -1.659 -0.680 -7.446
225 HZ1 LYS 24 3HZ LYS 24 -2.830 -0.434 -10.063
226 HZ2 LYS 24 1HZ LYS 24 -2.891 -2.009 -9.446
227 HZ3 LYS 24 2HZ LYS 24 -1.405 -1.212 -9.584
228 H LEU 25 H LEU 25 -6.195 -2.306 -3.002
229 HA LEU 25 HA LEU 25 -8.922 -2.913 -3.360
230 HB2 LEU 25 1HB LEU 25 -8.561 -4.491 -1.448
231 HB3 LEU 25 2HB LEU 25 -7.450 -4.675 -2.803
232 HG LEU 25 HG LEU 25 -6.032 -3.020 -1.176
233 HD11 LEU 25 1HD1 LEU 25 -7.005 -4.996 0.797
234 HD12 LEU 25 2HD1 LEU 25 -8.045 -3.608 0.476
235 HD13 LEU 25 3HD1 LEU 25 -6.390 -3.359 1.033
236 HD21 LEU 25 3HD2 LEU 25 -4.651 -4.899 -0.743
237 HD22 LEU 25 1HD2 LEU 25 -5.371 -5.156 -2.333
238 HD23 LEU 25 2HD2 LEU 25 -6.001 -6.020 -0.931
239 H PHE 26 H PHE 26 -7.192 -1.164 -0.842
240 HA PHE 26 HA PHE 26 -9.137 -0.999 1.113
241 HB2 PHE 26 2HB PHE 26 -6.924 -0.145 1.524
242 HB3 PHE 26 3HB PHE 26 -7.097 1.057 0.249
243 HD1 PHE 26 1HD PHE 26 -8.372 0.048 3.574
244 HD2 PHE 26 2HD PHE 26 -8.017 3.162 0.696
245 HE1 PHE 26 1HE PHE 26 -9.220 1.664 5.224
246 HE2 PHE 26 2HE PHE 26 -8.865 4.784 2.341
247 HZ PHE 26 HZ PHE 26 -9.467 4.036 4.608
248 H ILE 27 H ILE 27 -8.526 1.507 -1.355
249 HA ILE 27 HA ILE 27 -10.806 3.019 -0.867
250 HB ILE 27 HB ILE 27 -9.380 2.663 -3.505
251 HG12 ILE 27 1HG1 ILE 27 -7.902 3.391 -1.663
252 HG13 ILE 27 2HG1 ILE 27 -8.113 4.649 -2.873
253 HG21 ILE 27 1HG2 ILE 27 -11.419 4.634 -2.541
254 HG22 ILE 27 2HG2 ILE 27 -10.281 5.049 -3.822
255 HG23 ILE 27 3HG2 ILE 27 -11.397 3.700 -4.036
256 HD11 ILE 27 3HD1 ILE 27 -9.809 5.698 -1.408
257 HD12 ILE 27 1HD1 ILE 27 -9.435 4.491 -0.177
258 HD13 ILE 27 2HD1 ILE 27 -8.196 5.635 -0.699
259 H MET 28 H MET 28 -10.422 0.048 -2.621
260 HA MET 28 HA MET 28 -12.857 0.193 -4.095
261 HB2 MET 28 1HB MET 28 -10.869 -1.279 -4.630
262 HB3 MET 28 2HB MET 28 -11.374 -2.312 -3.299
263 HG2 MET 28 1HG MET 28 -13.680 -2.132 -4.689
264 HG3 MET 28 2HG MET 28 -12.501 -2.005 -5.991
265 HE1 MET 28 3HE MET 28 -13.328 -5.215 -3.017
266 HE2 MET 28 1HE MET 28 -14.220 -3.750 -3.423
267 HE3 MET 28 2HE MET 28 -14.470 -5.221 -4.362
268 H ILE 29 H ILE 29 -11.937 -1.118 -0.959
269 HA ILE 29 HA ILE 29 -14.486 -2.354 -0.485
270 HB ILE 29 HB ILE 29 -12.263 -1.714 1.458
271 HG12 ILE 29 1HG1 ILE 29 -12.729 -4.507 0.722
272 HG13 ILE 29 2HG1 ILE 29 -12.237 -3.509 -0.642
273 HG21 ILE 29 1HG2 ILE 29 -13.893 -2.139 2.952
274 HG22 ILE 29 2HG2 ILE 29 -14.915 -2.947 1.764
275 HG23 ILE 29 3HG2 ILE 29 -13.583 -3.820 2.519
276 HD11 ILE 29 3HD1 ILE 29 -10.406 -2.702 1.082
277 HD12 ILE 29 1HD1 ILE 29 -10.732 -4.285 1.788
278 HD13 ILE 29 2HD1 ILE 29 -10.201 -4.159 0.110
279 H VAL 30 H VAL 30 -12.919 0.672 0.420
280 HA VAL 30 HA VAL 30 -14.695 1.596 2.339
281 HB VAL 30 HB VAL 30 -13.250 3.234 0.251
282 HG11 VAL 30 1HG1 VAL 30 -14.871 3.943 2.630
283 HG12 VAL 30 2HG1 VAL 30 -13.399 4.874 2.341
284 HG13 VAL 30 3HG1 VAL 30 -14.658 4.803 1.105
285 HG21 VAL 30 3HG2 VAL 30 -11.404 2.559 1.301
286 HG22 VAL 30 1HG2 VAL 30 -11.961 3.479 2.699
287 HG23 VAL 30 2HG2 VAL 30 -12.335 1.760 2.568
288 H GLY 31 H GLY 31 -14.835 1.991 -1.194
289 HA2 GLY 31 1HA GLY 31 -17.086 3.601 -1.373
290 HA3 GLY 31 2HA GLY 31 -16.606 2.425 -2.589
291 H LYS 32 H LYS 32 -16.913 0.075 -1.085
292 HA LYS 32 HA LYS 32 -19.603 -0.511 -1.495
293 HB2 LYS 32 1HB LYS 32 -17.519 -1.869 0.214
294 HB3 LYS 32 2HB LYS 32 -19.128 -2.534 -0.039
295 HG2 LYS 32 1HG LYS 32 -17.728 -1.809 -2.505
296 HG3 LYS 32 2HG LYS 32 -16.948 -3.084 -1.566
297 HD2 LYS 32 1HD LYS 32 -18.987 -4.385 -1.570
298 HD3 LYS 32 2HD LYS 32 -19.853 -3.081 -2.386
299 HE2 LYS 32 1HE LYS 32 -19.073 -3.680 -4.397
300 HE3 LYS 32 2HE LYS 32 -17.435 -3.916 -3.787
301 HZ1 LYS 32 3HZ LYS 32 -19.284 -5.933 -2.910
302 HZ2 LYS 32 1HZ LYS 32 -17.751 -6.101 -3.605
303 HZ3 LYS 32 2HZ LYS 32 -19.108 -5.884 -4.591
304 H LYS 33 H LYS 33 -17.959 0.756 1.313
305 HA LYS 33 HA LYS 33 -20.259 0.394 3.039
306 HB2 LYS 33 1HB LYS 33 -17.616 1.793 3.481
307 HB3 LYS 33 2HB LYS 33 -18.859 1.603 4.711
308 HG2 LYS 33 1HG LYS 33 -17.367 -0.621 3.335
309 HG3 LYS 33 2HG LYS 33 -17.115 -0.053 4.987
310 HD2 LYS 33 1HD LYS 33 -19.751 -0.564 5.079
311 HD3 LYS 33 2HD LYS 33 -19.262 -1.746 3.863
312 HE2 LYS 33 1HE LYS 33 -17.663 -2.716 5.372
313 HE3 LYS 33 2HE LYS 33 -17.951 -1.448 6.561
314 HZ1 LYS 33 3HZ LYS 33 -19.152 -3.828 6.604
315 HZ2 LYS 33 1HZ LYS 33 -20.299 -2.934 5.739
316 HZ3 LYS 33 2HZ LYS 33 -19.821 -2.430 7.281
317 H LYS 34 H LYS 34 -18.726 2.948 1.193
318 HA LYS 34 HA LYS 34 -20.128 5.128 2.315
319 HB2 LYS 34 1HB LYS 34 -18.869 4.770 -0.409
320 HB3 LYS 34 2HB LYS 34 -19.507 6.298 0.183
321 HG2 LYS 34 1HG LYS 34 -17.570 4.961 1.950
322 HG3 LYS 34 2HG LYS 34 -16.935 5.550 0.411
323 HD2 LYS 34 1HD LYS 34 -17.573 7.771 0.884
324 HD3 LYS 34 2HD LYS 34 -18.611 7.270 2.221
325 HE2 LYS 34 1HE LYS 34 -16.908 7.656 3.595
326 HE3 LYS 34 2HE LYS 34 -16.070 6.295 2.851
327 HZ1 LYS 34 3HZ LYS 34 -14.547 7.877 2.419
328 HZ2 LYS 34 1HZ LYS 34 -15.661 9.150 2.486
329 HZ3 LYS 34 2HZ LYS 34 -15.539 8.205 1.089
330 H LYS 35 H LYS 35 -20.794 3.042 -0.468
331 HA LYS 35 HA LYS 35 -23.084 4.403 -1.379
332 HB2 LYS 35 1HB LYS 35 -21.728 1.891 -1.931
333 HB3 LYS 35 2HB LYS 35 -23.476 1.722 -2.022
334 HG2 LYS 35 1HG LYS 35 -23.653 3.054 -3.850
335 HG3 LYS 35 2HG LYS 35 -22.270 4.051 -3.394
336 HD2 LYS 35 1HD LYS 35 -21.132 1.587 -3.843
337 HD3 LYS 35 2HD LYS 35 -22.391 1.670 -5.076
338 HE2 LYS 35 1HE LYS 35 -20.863 2.801 -6.265
339 HE3 LYS 35 2HE LYS 35 -21.305 4.161 -5.235
340 HZ1 LYS 35 3HZ LYS 35 -19.340 2.474 -4.024
341 HZ2 LYS 35 1HZ LYS 35 -19.315 4.146 -4.278
342 HZ3 LYS 35 2HZ LYS 35 -18.810 3.097 -5.505
343 H LYS 36 H LYS 36 -25.174 4.357 -0.780
344 HA LYS 36 HA LYS 36 -27.018 4.010 0.506
345 HB2 LYS 36 1HB LYS 36 -26.903 1.795 -0.594
346 HB3 LYS 36 2HB LYS 36 -25.909 1.205 0.731
347 HG2 LYS 36 1HG LYS 36 -28.047 2.157 2.089
348 HG3 LYS 36 2HG LYS 36 -28.808 1.631 0.587
349 HD2 LYS 36 1HD LYS 36 -26.913 -0.125 2.124
350 HD3 LYS 36 2HD LYS 36 -28.644 -0.082 2.469
351 HE2 LYS 36 1HE LYS 36 -29.169 -1.232 0.607
352 HE3 LYS 36 2HE LYS 36 -27.958 -0.400 -0.368
353 HZ1 LYS 36 3HZ LYS 36 -27.590 -2.744 1.396
354 HZ2 LYS 36 1HZ LYS 36 -26.281 -1.806 0.879
355 HZ3 LYS 36 2HZ LYS 36 -27.247 -2.607 -0.254
Start of MODEL 3
1 H1 LYS 1 H LYS 1 17.095 7.062 14.262
2 HA LYS 1 HA LYS 1 17.860 5.814 11.734
3 HB2 LYS 1 1HB LYS 1 18.264 8.756 12.306
4 HB3 LYS 1 2HB LYS 1 18.873 7.890 10.901
5 HG2 LYS 1 1HG LYS 1 16.771 7.683 9.956
6 HG3 LYS 1 2HG LYS 1 15.944 7.929 11.495
7 HD2 LYS 1 1HD LYS 1 16.239 10.224 11.435
8 HD3 LYS 1 2HD LYS 1 17.618 10.120 10.338
9 HE2 LYS 1 1HE LYS 1 16.173 9.545 8.500
10 HE3 LYS 1 2HE LYS 1 14.779 9.451 9.573
11 HZ1 LYS 1 3HZ LYS 1 14.630 11.529 8.545
12 HZ2 LYS 1 1HZ LYS 1 16.280 11.855 8.731
13 HZ3 LYS 1 2HZ LYS 1 15.258 11.872 10.079
14 H LYS 2 H LYS 2 19.710 4.774 12.015
15 HA LYS 2 HA LYS 2 21.647 5.837 13.963
16 HB2 LYS 2 1HB LYS 2 20.659 3.900 14.969
17 HB3 LYS 2 2HB LYS 2 20.834 2.970 13.487
18 HG2 LYS 2 1HG LYS 2 22.483 2.323 15.163
19 HG3 LYS 2 2HG LYS 2 23.249 2.999 13.724
20 HD2 LYS 2 1HD LYS 2 23.457 5.164 14.885
21 HD3 LYS 2 2HD LYS 2 22.749 4.438 16.330
22 HE2 LYS 2 1HE LYS 2 25.155 3.197 15.064
23 HE3 LYS 2 2HE LYS 2 25.341 4.621 16.087
24 HZ1 LYS 2 3HZ LYS 2 25.109 3.377 17.890
25 HZ2 LYS 2 1HZ LYS 2 25.140 1.998 16.909
26 HZ3 LYS 2 2HZ LYS 2 23.662 2.703 17.330
27 H LYS 3 H LYS 3 21.210 3.786 11.100
28 HA LYS 3 HA LYS 3 23.912 4.581 10.232
29 HB2 LYS 3 1HB LYS 3 22.602 1.905 10.268
30 HB3 LYS 3 2HB LYS 3 23.657 2.281 8.911
31 HG2 LYS 3 1HG LYS 3 24.940 3.025 11.359
32 HG3 LYS 3 2HG LYS 3 24.381 1.353 11.457
33 HD2 LYS 3 1HD LYS 3 25.770 2.238 8.978
34 HD3 LYS 3 2HD LYS 3 26.737 1.964 10.428
35 HE2 LYS 3 1HE LYS 3 25.133 -0.246 10.387
36 HE3 LYS 3 2HE LYS 3 25.386 0.050 8.667
37 HZ1 LYS 3 3HZ LYS 3 27.837 0.332 10.003
38 HZ2 LYS 3 1HZ LYS 3 27.398 -0.817 8.842
39 HZ3 LYS 3 2HZ LYS 3 27.142 -1.133 10.483
40 H LYS 4 H LYS 4 22.454 6.348 9.326
41 HA LYS 4 HA LYS 4 20.632 5.899 7.263
42 HB2 LYS 4 1HB LYS 4 22.252 8.181 8.210
43 HB3 LYS 4 2HB LYS 4 21.714 8.279 6.539
44 HG2 LYS 4 1HG LYS 4 19.387 7.692 7.519
45 HG3 LYS 4 2HG LYS 4 20.095 8.222 9.047
46 HD2 LYS 4 1HD LYS 4 19.108 10.158 8.201
47 HD3 LYS 4 2HD LYS 4 20.804 10.326 7.743
48 HE2 LYS 4 1HE LYS 4 19.493 8.899 5.677
49 HE3 LYS 4 2HE LYS 4 18.492 10.293 6.076
50 HZ1 LYS 4 3HZ LYS 4 19.872 11.423 4.766
51 HZ2 LYS 4 1HZ LYS 4 21.031 10.191 4.749
52 HZ3 LYS 4 2HZ LYS 4 21.007 11.312 6.015
53 H ASP 5 H ASP 5 20.798 5.663 5.075
54 HA ASP 5 HA ASP 5 23.166 6.064 3.586
55 HB2 ASP 5 1HB ASP 5 23.097 3.622 5.004
56 HB3 ASP 5 2HB ASP 5 22.781 3.226 3.317
57 H LYS 6 H LYS 6 22.927 4.659 1.406
58 HA LYS 6 HA LYS 6 20.345 5.433 0.357
59 HB2 LYS 6 1HB LYS 6 22.714 5.642 -0.757
60 HB3 LYS 6 2HB LYS 6 22.410 3.982 -1.253
61 HG2 LYS 6 1HG LYS 6 21.663 5.219 -3.057
62 HG3 LYS 6 2HG LYS 6 20.178 4.890 -2.160
63 HD2 LYS 6 1HD LYS 6 19.826 7.100 -2.300
64 HD3 LYS 6 2HD LYS 6 21.040 7.229 -1.025
65 HE2 LYS 6 1HE LYS 6 22.572 7.068 -3.292
66 HE3 LYS 6 2HE LYS 6 21.179 7.996 -3.843
67 HZ1 LYS 6 3HZ LYS 6 21.637 9.275 -1.613
68 HZ2 LYS 6 1HZ LYS 6 22.473 9.660 -3.033
69 HZ3 LYS 6 2HZ LYS 6 23.207 8.694 -1.854
70 H TRP 7 H TRP 7 22.205 2.441 0.751
71 HA TRP 7 HA TRP 7 20.328 0.717 -0.441
72 HB2 TRP 7 2HB TRP 7 21.521 -1.085 0.755
73 HB3 TRP 7 3HB TRP 7 22.632 0.028 -0.041
74 HD1 TRP 7 1HD TRP 7 24.192 1.530 1.511
75 HE1 TRP 7 1HE TRP 7 24.836 1.362 3.998
76 HE3 TRP 7 3HE TRP 7 20.595 -1.757 3.060
77 HZ2 TRP 7 2HZ TRP 7 23.938 0.014 6.310
78 HZ3 TRP 7 3HZ TRP 7 20.559 -2.435 5.426
79 HH2 TRP 7 2HH TRP 7 22.196 -1.567 7.014
80 H ALA 8 H ALA 8 20.624 1.995 2.811
81 HA ALA 8 HA ALA 8 18.863 0.282 4.145
82 HB1 ALA 8 3HB ALA 8 19.145 3.209 4.763
83 HB2 ALA 8 1HB ALA 8 18.797 1.883 5.873
84 HB3 ALA 8 2HB ALA 8 20.399 2.031 5.148
85 H SER 9 H SER 9 18.219 3.395 2.541
86 HA SER 9 HA SER 9 15.479 3.516 3.072
87 HB2 SER 9 1HB SER 9 16.401 5.505 2.261
88 HB3 SER 9 2HB SER 9 17.222 4.695 0.928
89 HG SER 9 HG SER 9 15.550 5.402 -0.151
90 H LEU 10 H LEU 10 17.267 1.685 0.722
91 HA LEU 10 HA LEU 10 15.184 1.113 -1.083
92 HB2 LEU 10 1HB LEU 10 17.741 0.690 -1.240
93 HB3 LEU 10 2HB LEU 10 17.360 -0.844 -0.462
94 HG LEU 10 HG LEU 10 15.787 -0.172 -2.874
95 HD11 LEU 10 1HD1 LEU 10 17.579 0.339 -4.104
96 HD12 LEU 10 2HD1 LEU 10 17.982 -1.373 -3.982
97 HD13 LEU 10 3HD1 LEU 10 18.706 -0.214 -2.866
98 HD21 LEU 10 3HD2 LEU 10 16.059 -2.361 -1.295
99 HD22 LEU 10 1HD2 LEU 10 17.195 -2.733 -2.593
100 HD23 LEU 10 2HD2 LEU 10 15.504 -2.399 -2.970
101 H TRP 11 H TRP 11 16.372 -0.656 1.759
102 HA TRP 11 HA TRP 11 14.644 -2.846 1.585
103 HB2 TRP 11 2HB TRP 11 16.048 -1.538 3.906
104 HB3 TRP 11 3HB TRP 11 15.015 -2.947 4.132
105 HD1 TRP 11 1HD TRP 11 18.508 -2.051 3.420
106 HE1 TRP 11 1HE TRP 11 19.841 -4.110 2.639
107 HE3 TRP 11 3HE TRP 11 14.615 -5.233 2.496
108 HZ2 TRP 11 2HZ TRP 11 19.311 -6.736 1.750
109 HZ3 TRP 11 3HZ TRP 11 15.114 -7.501 1.681
110 HH2 TRP 11 2HH TRP 11 17.413 -8.235 1.316
111 H ASN 12 H ASN 12 14.177 0.361 2.935
112 HA ASN 12 HA ASN 12 11.831 -0.094 4.383
113 HB2 ASN 12 1HB ASN 12 12.996 1.979 4.666
114 HB3 ASN 12 2HB ASN 12 12.834 2.372 2.957
115 HD21 ASN 12 2HD2 ASN 12 10.642 1.351 5.559
116 HD22 ASN 12 1HD2 ASN 12 9.472 2.593 5.290
117 H TRP 13 H TRP 13 12.383 0.240 0.968
118 HA TRP 13 HA TRP 13 9.816 0.915 0.098
119 HB2 TRP 13 2HB TRP 13 11.922 0.819 -1.297
120 HB3 TRP 13 3HB TRP 13 11.718 -0.930 -1.355
121 HD1 TRP 13 1HD TRP 13 10.046 2.309 -2.585
122 HE1 TRP 13 1HE TRP 13 8.541 1.732 -4.592
123 HE3 TRP 13 3HE TRP 13 10.450 -2.786 -2.463
124 HZ2 TRP 13 2HZ TRP 13 7.643 -0.579 -5.943
125 HZ3 TRP 13 3HZ TRP 13 9.236 -4.106 -4.148
126 HH2 TRP 13 2HH TRP 13 7.862 -3.024 -5.851
127 H PHE 14 H PHE 14 11.027 -2.013 1.432
128 HA PHE 14 HA PHE 14 9.409 -3.956 0.334
129 HB2 PHE 14 2HB PHE 14 11.172 -4.500 1.915
130 HB3 PHE 14 3HB PHE 14 10.311 -3.669 3.206
131 HD1 PHE 14 1HD PHE 14 10.423 -6.659 1.101
132 HD2 PHE 14 2HD PHE 14 8.419 -4.683 4.294
133 HE1 PHE 14 1HE PHE 14 9.280 -8.760 1.679
134 HE2 PHE 14 2HE PHE 14 7.274 -6.781 4.879
135 HZ PHE 14 HZ PHE 14 7.705 -8.823 3.572
136 H ASP 15 H ASP 15 8.700 -2.092 3.293
137 HA ASP 15 HA ASP 15 6.107 -3.029 3.680
138 HB2 ASP 15 1HB ASP 15 7.479 -1.675 5.303
139 HB3 ASP 15 2HB ASP 15 7.074 -0.246 4.355
140 H ILE 16 H ILE 16 7.297 -0.375 1.692
141 HA ILE 16 HA ILE 16 4.756 0.690 1.025
142 HB ILE 16 HB ILE 16 7.442 0.912 -0.321
143 HG12 ILE 16 1HG1 ILE 16 7.032 3.351 0.470
144 HG13 ILE 16 2HG1 ILE 16 5.805 2.641 1.514
145 HG21 ILE 16 1HG2 ILE 16 6.082 2.955 -1.390
146 HG22 ILE 16 2HG2 ILE 16 6.217 1.377 -2.165
147 HG23 ILE 16 3HG2 ILE 16 4.773 1.784 -1.238
148 HD11 ILE 16 3HD1 ILE 16 8.063 3.011 2.547
149 HD12 ILE 16 1HD1 ILE 16 7.409 1.380 2.694
150 HD13 ILE 16 2HD1 ILE 16 8.661 1.723 1.500
151 H THR 17 H THR 17 6.669 -1.933 -0.227
152 HA THR 17 HA THR 17 5.626 -2.244 -2.775
153 HB THR 17 HB THR 17 6.084 -4.680 -1.101
154 HG1 THR 17 1HG THR 17 8.421 -4.209 -1.645
155 HG21 THR 17 3HG2 THR 17 6.559 -3.823 -3.932
156 HG22 THR 17 1HG2 THR 17 5.703 -5.239 -3.324
157 HG23 THR 17 2HG2 THR 17 7.464 -5.173 -3.248
158 H ASN 18 H ASN 18 4.417 -3.661 0.264
159 HA ASN 18 HA ASN 18 2.070 -4.716 -1.031
160 HB2 ASN 18 1HB ASN 18 3.425 -5.468 1.184
161 HB3 ASN 18 2HB ASN 18 2.137 -4.521 1.924
162 HD21 ASN 18 2HD2 ASN 18 2.839 -7.486 1.665
163 HD22 ASN 18 1HD2 ASN 18 1.339 -8.215 1.212
164 H TRP 19 H TRP 19 2.939 -1.853 0.736
165 HA TRP 19 HA TRP 19 0.492 -0.948 1.642
166 HB2 TRP 19 2HB TRP 19 2.530 0.224 2.195
167 HB3 TRP 19 3HB TRP 19 2.809 0.624 0.503
168 HD1 TRP 19 1HD TRP 19 0.275 1.433 3.319
169 HE1 TRP 19 1HE TRP 19 -0.644 3.801 2.904
170 HE3 TRP 19 3HE TRP 19 2.576 2.426 -1.137
171 HZ2 TRP 19 2HZ TRP 19 -0.424 5.822 0.945
172 HZ3 TRP 19 3HZ TRP 19 2.168 4.600 -2.216
173 HH2 TRP 19 2HH TRP 19 0.699 6.261 -1.195
174 H LEU 20 H LEU 20 1.942 -0.497 -1.569
175 HA LEU 20 HA LEU 20 -0.073 1.083 -2.682
176 HB2 LEU 20 1HB LEU 20 2.160 -0.527 -3.650
177 HB3 LEU 20 2HB LEU 20 0.817 -0.443 -4.789
178 HG LEU 20 HG LEU 20 1.418 2.183 -3.797
179 HD11 LEU 20 1HD1 LEU 20 3.733 0.699 -5.035
180 HD12 LEU 20 2HD1 LEU 20 3.654 1.307 -3.382
181 HD13 LEU 20 3HD1 LEU 20 3.657 2.436 -4.736
182 HD21 LEU 20 3HD2 LEU 20 1.986 1.250 -6.573
183 HD22 LEU 20 1HD2 LEU 20 1.248 2.753 -6.017
184 HD23 LEU 20 2HD2 LEU 20 0.323 1.252 -5.984
185 H TRP 21 H TRP 21 0.035 -2.316 -2.017
186 HA TRP 21 HA TRP 21 -2.162 -2.992 -3.753
187 HB2 TRP 21 2HB TRP 21 -0.164 -4.427 -2.438
188 HB3 TRP 21 3HB TRP 21 -1.653 -4.904 -1.627
189 HD1 TRP 21 1HD TRP 21 0.014 -4.980 -5.090
190 HE1 TRP 21 1HE TRP 21 -1.142 -6.790 -6.508
191 HE3 TRP 21 3HE TRP 21 -3.782 -6.212 -1.894
192 HZ2 TRP 21 2HZ TRP 21 -3.369 -8.512 -6.300
193 HZ3 TRP 21 3HZ TRP 21 -5.383 -7.950 -2.580
194 HH2 TRP 21 2HH TRP 21 -5.179 -9.075 -4.737
195 H TYR 22 H TYR 22 -1.728 -2.052 -0.425
196 HA TYR 22 HA TYR 22 -4.352 -2.849 0.423
197 HB2 TYR 22 2HB TYR 22 -2.309 -2.596 1.918
198 HB3 TYR 22 3HB TYR 22 -2.546 -0.857 1.795
199 HD1 TYR 22 1HD TYR 22 -4.425 -3.960 2.689
200 HD2 TYR 22 2HD TYR 22 -3.858 0.201 3.382
201 HE1 TYR 22 1HE TYR 22 -6.033 -4.055 4.548
202 HE2 TYR 22 2HE TYR 22 -5.463 0.115 5.243
203 HH TYR 22 HH TYR 22 -7.356 -2.753 5.907
204 H ILE 23 H ILE 23 -2.813 0.182 -0.554
205 HA ILE 23 HA ILE 23 -4.974 1.891 -0.000
206 HB ILE 23 HB ILE 23 -3.924 3.483 -1.520
207 HG12 ILE 23 1HG1 ILE 23 -2.023 1.244 -2.244
208 HG13 ILE 23 2HG1 ILE 23 -3.326 1.818 -3.280
209 HG21 ILE 23 1HG2 ILE 23 -2.752 2.321 0.747
210 HG22 ILE 23 2HG2 ILE 23 -1.444 2.574 -0.406
211 HG23 ILE 23 3HG2 ILE 23 -2.459 3.929 0.086
212 HD11 ILE 23 3HD1 ILE 23 -1.169 2.741 -3.931
213 HD12 ILE 23 1HD1 ILE 23 -2.280 4.004 -3.406
214 HD13 ILE 23 2HD1 ILE 23 -0.991 3.460 -2.332
215 H LYS 24 H LYS 24 -4.372 -0.309 -2.611
216 HA LYS 24 HA LYS 24 -6.247 0.842 -4.443
217 HB2 LYS 24 1HB LYS 24 -4.800 -1.794 -4.309
218 HB3 LYS 24 2HB LYS 24 -6.021 -1.482 -5.536
219 HG2 LYS 24 1HG LYS 24 -4.741 0.387 -6.384
220 HG3 LYS 24 2HG LYS 24 -3.543 0.175 -5.106
221 HD2 LYS 24 1HD LYS 24 -3.537 -2.301 -6.151
222 HD3 LYS 24 2HD LYS 24 -3.971 -1.372 -7.588
223 HE2 LYS 24 1HE LYS 24 -1.845 -0.057 -6.183
224 HE3 LYS 24 2HE LYS 24 -1.415 -1.742 -6.470
225 HZ1 LYS 24 3HZ LYS 24 -2.589 -0.320 -8.717
226 HZ2 LYS 24 1HZ LYS 24 -1.316 -1.434 -8.686
227 HZ3 LYS 24 2HZ LYS 24 -1.039 0.178 -8.257
228 H LEU 25 H LEU 25 -6.307 -2.183 -2.547
229 HA LEU 25 HA LEU 25 -9.011 -2.764 -3.059
230 HB2 LEU 25 1HB LEU 25 -8.814 -4.265 -1.071
231 HB3 LEU 25 2HB LEU 25 -7.593 -4.511 -2.318
232 HG LEU 25 HG LEU 25 -6.224 -2.867 -0.719
233 HD11 LEU 25 1HD1 LEU 25 -8.510 -3.706 0.852
234 HD12 LEU 25 2HD1 LEU 25 -7.288 -2.483 1.196
235 HD13 LEU 25 3HD1 LEU 25 -6.981 -4.173 1.596
236 HD21 LEU 25 3HD2 LEU 25 -5.024 -4.738 -0.012
237 HD22 LEU 25 1HD2 LEU 25 -5.776 -5.263 -1.519
238 HD23 LEU 25 2HD2 LEU 25 -6.460 -5.762 0.029
239 H PHE 26 H PHE 26 -7.431 -0.951 -0.482
240 HA PHE 26 HA PHE 26 -9.512 -0.660 1.307
241 HB2 PHE 26 2HB PHE 26 -7.325 0.168 1.859
242 HB3 PHE 26 3HB PHE 26 -7.358 1.307 0.517
243 HD1 PHE 26 2HD PHE 26 -9.578 0.470 3.403
244 HD2 PHE 26 1HD PHE 26 -7.600 3.488 1.147
245 HE1 PHE 26 2HE PHE 26 -10.511 2.190 4.894
246 HE2 PHE 26 1HE PHE 26 -8.529 5.215 2.635
247 HZ PHE 26 HZ PHE 26 -9.988 4.567 4.510
248 H ILE 27 H ILE 27 -8.676 1.665 -1.269
249 HA ILE 27 HA ILE 27 -10.952 3.262 -0.997
250 HB ILE 27 HB ILE 27 -9.327 2.772 -3.496
251 HG12 ILE 27 1HG1 ILE 27 -7.992 3.560 -1.568
252 HG13 ILE 27 2HG1 ILE 27 -8.080 4.765 -2.848
253 HG21 ILE 27 1HG2 ILE 27 -11.416 4.797 -2.787
254 HG22 ILE 27 2HG2 ILE 27 -10.161 5.165 -3.969
255 HG23 ILE 27 3HG2 ILE 27 -11.264 3.816 -4.245
256 HD11 ILE 27 3HD1 ILE 27 -9.706 4.755 -0.317
257 HD12 ILE 27 1HD1 ILE 27 -8.313 5.780 -0.657
258 HD13 ILE 27 2HD1 ILE 27 -9.794 5.965 -1.596
259 H MET 28 H MET 28 -10.470 0.231 -2.640
260 HA MET 28 HA MET 28 -12.785 0.350 -4.289
261 HB2 MET 28 1HB MET 28 -10.821 -1.161 -4.666
262 HB3 MET 28 2HB MET 28 -11.353 -2.116 -3.289
263 HG2 MET 28 1HG MET 28 -13.618 -1.996 -4.803
264 HG3 MET 28 2HG MET 28 -12.354 -2.042 -6.029
265 HE1 MET 28 3HE MET 28 -14.537 -3.578 -3.773
266 HE2 MET 28 1HE MET 28 -14.294 -5.312 -3.992
267 HE3 MET 28 2HE MET 28 -13.485 -4.468 -2.672
268 H ILE 29 H ILE 29 -12.126 -0.902 -1.058
269 HA ILE 29 HA ILE 29 -14.735 -2.059 -0.743
270 HB ILE 29 HB ILE 29 -12.642 -1.428 1.342
271 HG12 ILE 29 1HG1 ILE 29 -13.137 -4.225 0.629
272 HG13 ILE 29 2HG1 ILE 29 -12.506 -3.270 -0.707
273 HG21 ILE 29 1HG2 ILE 29 -14.037 -3.419 2.427
274 HG22 ILE 29 2HG2 ILE 29 -14.460 -1.725 2.668
275 HG23 ILE 29 3HG2 ILE 29 -15.320 -2.686 1.465
276 HD11 ILE 29 3HD1 ILE 29 -11.136 -4.353 1.551
277 HD12 ILE 29 1HD1 ILE 29 -10.480 -3.546 0.126
278 HD13 ILE 29 2HD1 ILE 29 -10.962 -2.599 1.534
279 H VAL 30 H VAL 30 -13.190 0.981 0.090
280 HA VAL 30 HA VAL 30 -15.081 1.984 1.887
281 HB VAL 30 HB VAL 30 -13.405 3.525 -0.101
282 HG11 VAL 30 1HG1 VAL 30 -14.791 4.448 2.415
283 HG12 VAL 30 2HG1 VAL 30 -13.711 5.422 1.418
284 HG13 VAL 30 3HG1 VAL 30 -15.250 4.862 0.764
285 HG21 VAL 30 3HG2 VAL 30 -12.543 1.931 1.967
286 HG22 VAL 30 1HG2 VAL 30 -11.640 3.265 1.247
287 HG23 VAL 30 2HG2 VAL 30 -12.599 3.534 2.702
288 H GLY 31 H GLY 31 -14.929 2.220 -1.653
289 HA2 GLY 31 1HA GLY 31 -17.211 3.863 -1.949
290 HA3 GLY 31 2HA GLY 31 -16.501 2.856 -3.202
291 H LYS 32 H LYS 32 -16.856 0.462 -1.399
292 HA LYS 32 HA LYS 32 -19.463 -0.256 -2.366
293 HB2 LYS 32 1HB LYS 32 -17.446 -1.732 -0.670
294 HB3 LYS 32 2HB LYS 32 -18.973 -2.431 -1.195
295 HG2 LYS 32 1HG LYS 32 -17.528 -1.308 -3.423
296 HG3 LYS 32 2HG LYS 32 -16.546 -2.485 -2.547
297 HD2 LYS 32 1HD LYS 32 -17.718 -3.721 -4.181
298 HD3 LYS 32 2HD LYS 32 -18.557 -4.030 -2.658
299 HE2 LYS 32 1HE LYS 32 -20.440 -3.385 -3.646
300 HE3 LYS 32 2HE LYS 32 -19.774 -1.755 -3.734
301 HZ1 LYS 32 3HZ LYS 32 -19.795 -3.852 -5.810
302 HZ2 LYS 32 1HZ LYS 32 -18.670 -2.589 -5.869
303 HZ3 LYS 32 2HZ LYS 32 -20.326 -2.249 -5.915
304 H LYS 33 H LYS 33 -18.014 -0.125 0.892
305 HA LYS 33 HA LYS 33 -20.318 -0.613 2.357
306 HB2 LYS 33 1HB LYS 33 -17.995 1.173 3.111
307 HB3 LYS 33 2HB LYS 33 -19.174 0.502 4.231
308 HG2 LYS 33 1HG LYS 33 -17.355 -1.165 2.509
309 HG3 LYS 33 2HG LYS 33 -16.996 -0.700 4.172
310 HD2 LYS 33 1HD LYS 33 -19.624 -1.777 4.105
311 HD3 LYS 33 2HD LYS 33 -18.557 -2.883 3.237
312 HE2 LYS 33 1HE LYS 33 -17.289 -3.333 5.096
313 HE3 LYS 33 2HE LYS 33 -17.652 -1.781 5.851
314 HZ1 LYS 33 3HZ LYS 33 -19.927 -2.598 6.243
315 HZ2 LYS 33 1HZ LYS 33 -18.757 -3.526 7.039
316 HZ3 LYS 33 2HZ LYS 33 -19.481 -4.110 5.627
317 H LYS 34 H LYS 34 -19.200 2.338 0.847
318 HA LYS 34 HA LYS 34 -20.772 4.222 2.150
319 HB2 LYS 34 1HB LYS 34 -19.078 4.187 -0.069
320 HB3 LYS 34 2HB LYS 34 -20.623 4.735 -0.703
321 HG2 LYS 34 1HG LYS 34 -20.471 6.270 1.490
322 HG3 LYS 34 2HG LYS 34 -18.752 6.062 1.147
323 HD2 LYS 34 1HD LYS 34 -18.935 7.062 -0.960
324 HD3 LYS 34 2HD LYS 34 -20.688 6.855 -1.006
325 HE2 LYS 34 1HE LYS 34 -20.887 8.935 -0.250
326 HE3 LYS 34 2HE LYS 34 -20.168 8.401 1.269
327 HZ1 LYS 34 3HZ LYS 34 -19.136 10.289 -0.361
328 HZ2 LYS 34 1HZ LYS 34 -18.242 8.922 -0.804
329 HZ3 LYS 34 2HZ LYS 34 -18.261 9.435 0.807
330 H LYS 35 H LYS 35 -21.638 1.841 -0.239
331 HA LYS 35 HA LYS 35 -23.620 1.227 -1.173
332 HB2 LYS 35 1HB LYS 35 -24.632 2.546 1.349
333 HB3 LYS 35 2HB LYS 35 -25.662 1.643 0.245
334 HG2 LYS 35 1HG LYS 35 -23.453 -0.004 0.834
335 HG3 LYS 35 2HG LYS 35 -24.014 0.680 2.360
336 HD2 LYS 35 1HD LYS 35 -25.911 -0.540 0.375
337 HD3 LYS 35 2HD LYS 35 -25.077 -1.515 1.587
338 HE2 LYS 35 1HE LYS 35 -26.019 -0.030 3.342
339 HE3 LYS 35 2HE LYS 35 -26.939 0.803 2.092
340 HZ1 LYS 35 3HZ LYS 35 -28.313 -0.837 3.150
341 HZ2 LYS 35 1HZ LYS 35 -27.182 -2.058 2.849
342 HZ3 LYS 35 2HZ LYS 35 -28.005 -1.333 1.561
343 H LYS 36 H LYS 36 -22.813 3.102 -2.668
344 HA LYS 36 HA LYS 36 -23.398 4.744 -4.129
345 HB2 LYS 36 1HB LYS 36 -25.631 3.304 -3.854
346 HB3 LYS 36 2HB LYS 36 -26.214 4.815 -3.170
347 HG2 LYS 36 1HG LYS 36 -25.298 5.901 -5.309
348 HG3 LYS 36 2HG LYS 36 -25.259 4.257 -5.951
349 HD2 LYS 36 1HD LYS 36 -27.547 4.056 -5.944
350 HD3 LYS 36 2HD LYS 36 -27.753 5.222 -4.634
351 HE2 LYS 36 1HE LYS 36 -28.564 6.301 -6.559
352 HE3 LYS 36 2HE LYS 36 -26.962 6.984 -6.286
353 HZ1 LYS 36 3HZ LYS 36 -27.056 4.653 -8.010
354 HZ2 LYS 36 1HZ LYS 36 -26.164 6.082 -8.165
355 HZ3 LYS 36 2HZ LYS 36 -27.787 6.044 -8.635
Start of MODEL 4
1 H1 LYS 1 H LYS 1 19.446 16.235 2.467
2 HA LYS 1 HA LYS 1 18.012 13.850 3.254
3 HB2 LYS 1 1HB LYS 1 17.026 15.578 1.152
4 HB3 LYS 1 2HB LYS 1 17.438 13.992 0.513
5 HG2 LYS 1 1HG LYS 1 15.863 12.911 1.818
6 HG3 LYS 1 2HG LYS 1 15.776 14.232 2.985
7 HD2 LYS 1 1HD LYS 1 14.055 15.111 1.886
8 HD3 LYS 1 2HD LYS 1 15.031 15.228 0.419
9 HE2 LYS 1 1HE LYS 1 14.459 12.605 0.377
10 HE3 LYS 1 2HE LYS 1 13.033 13.202 1.225
11 HZ1 LYS 1 3HZ LYS 1 13.575 14.865 -0.982
12 HZ2 LYS 1 1HZ LYS 1 12.208 13.912 -0.686
13 HZ3 LYS 1 2HZ LYS 1 13.535 13.258 -1.508
14 H LYS 2 H LYS 2 19.752 12.564 3.345
15 HA LYS 2 HA LYS 2 20.992 11.668 0.964
16 HB2 LYS 2 1HB LYS 2 22.270 13.695 1.046
17 HB3 LYS 2 2HB LYS 2 22.609 13.480 2.758
18 HG2 LYS 2 1HG LYS 2 24.559 12.952 1.423
19 HG3 LYS 2 2HG LYS 2 23.959 11.508 2.243
20 HD2 LYS 2 1HD LYS 2 22.888 10.755 0.206
21 HD3 LYS 2 2HD LYS 2 23.365 12.238 -0.624
22 HE2 LYS 2 1HE LYS 2 25.353 11.380 -1.128
23 HE3 LYS 2 2HE LYS 2 25.661 10.983 0.562
24 HZ1 LYS 2 3HZ LYS 2 25.729 8.958 -0.582
25 HZ2 LYS 2 1HZ LYS 2 24.352 9.310 -1.498
26 HZ3 LYS 2 2HZ LYS 2 24.205 8.973 0.153
27 H LYS 3 H LYS 3 21.476 9.604 1.300
28 HA LYS 3 HA LYS 3 22.093 8.742 4.051
29 HB2 LYS 3 1HB LYS 3 20.568 7.315 1.870
30 HB3 LYS 3 2HB LYS 3 21.135 6.516 3.331
31 HG2 LYS 3 1HG LYS 3 19.635 8.947 3.884
32 HG3 LYS 3 2HG LYS 3 18.701 7.743 2.993
33 HD2 LYS 3 1HD LYS 3 19.737 6.113 4.790
34 HD3 LYS 3 2HD LYS 3 19.881 7.603 5.726
35 HE2 LYS 3 1HE LYS 3 17.307 7.631 4.608
36 HE3 LYS 3 2HE LYS 3 17.559 5.990 5.201
37 HZ1 LYS 3 3HZ LYS 3 17.180 8.425 6.671
38 HZ2 LYS 3 1HZ LYS 3 18.516 7.537 7.211
39 HZ3 LYS 3 2HZ LYS 3 16.984 6.821 7.170
40 H LYS 4 H LYS 4 24.047 7.911 4.344
41 HA LYS 4 HA LYS 4 25.995 7.711 2.386
42 HB2 LYS 4 1HB LYS 4 25.774 6.315 5.055
43 HB3 LYS 4 2HB LYS 4 27.219 6.266 4.053
44 HG2 LYS 4 1HG LYS 4 26.866 8.912 4.160
45 HG3 LYS 4 2HG LYS 4 26.115 8.460 5.692
46 HD2 LYS 4 1HD LYS 4 28.345 6.982 5.845
47 HD3 LYS 4 2HD LYS 4 28.944 8.303 4.838
48 HE2 LYS 4 1HE LYS 4 28.449 9.915 6.485
49 HE3 LYS 4 2HE LYS 4 27.442 8.791 7.394
50 HZ1 LYS 4 3HZ LYS 4 30.134 7.863 7.079
51 HZ2 LYS 4 1HZ LYS 4 29.200 8.008 8.483
52 HZ3 LYS 4 2HZ LYS 4 30.054 9.344 7.893
53 H ASP 5 H ASP 5 23.595 5.388 3.385
54 HA ASP 5 HA ASP 5 24.650 3.503 1.379
55 HB2 ASP 5 1HB ASP 5 24.794 2.752 3.805
56 HB3 ASP 5 2HB ASP 5 23.034 2.709 3.801
57 H LYS 6 H LYS 6 23.328 3.006 -0.245
58 HA LYS 6 HA LYS 6 20.692 4.173 -0.335
59 HB2 LYS 6 1HB LYS 6 22.632 3.387 -2.228
60 HB3 LYS 6 2HB LYS 6 21.215 2.391 -2.531
61 HG2 LYS 6 1HG LYS 6 21.123 4.380 -3.883
62 HG3 LYS 6 2HG LYS 6 19.840 4.425 -2.671
63 HD2 LYS 6 1HD LYS 6 20.846 6.600 -2.789
64 HD3 LYS 6 2HD LYS 6 21.316 5.855 -1.260
65 HE2 LYS 6 1HE LYS 6 23.203 5.200 -3.334
66 HE3 LYS 6 2HE LYS 6 22.996 6.948 -3.214
67 HZ1 LYS 6 3HZ LYS 6 23.291 6.552 -0.713
68 HZ2 LYS 6 1HZ LYS 6 24.665 6.487 -1.698
69 HZ3 LYS 6 2HZ LYS 6 23.944 5.056 -1.158
70 H TRP 7 H TRP 7 22.091 0.965 -0.034
71 HA TRP 7 HA TRP 7 19.831 -0.593 -0.496
72 HB2 TRP 7 2HB TRP 7 22.338 -0.962 1.086
73 HB3 TRP 7 3HB TRP 7 21.033 -2.125 1.301
74 HD1 TRP 7 1HD TRP 7 23.651 -0.992 -1.219
75 HE1 TRP 7 1HE TRP 7 23.749 -2.697 -3.145
76 HE3 TRP 7 3HE TRP 7 19.576 -3.828 0.000
77 HZ2 TRP 7 2HZ TRP 7 22.292 -4.946 -4.030
78 HZ3 TRP 7 3HZ TRP 7 18.996 -5.738 -1.438
79 HH2 TRP 7 2HH TRP 7 20.326 -6.284 -3.412
80 H ALA 8 H ALA 8 20.944 0.955 2.491
81 HA ALA 8 HA ALA 8 19.088 -0.109 4.264
82 HB1 ALA 8 3HB ALA 8 19.634 2.693 4.794
83 HB2 ALA 8 1HB ALA 8 20.067 1.259 5.726
84 HB3 ALA 8 2HB ALA 8 21.093 1.787 4.390
85 H SER 9 H SER 9 18.761 2.517 1.954
86 HA SER 9 HA SER 9 16.244 3.440 2.933
87 HB2 SER 9 1HB SER 9 18.007 4.029 0.636
88 HB3 SER 9 2HB SER 9 16.289 4.314 0.360
89 HG SER 9 HG SER 9 18.026 5.527 2.205
90 H LEU 10 H LEU 10 17.258 1.219 0.383
91 HA LEU 10 HA LEU 10 14.784 0.807 -0.841
92 HB2 LEU 10 1HB LEU 10 17.254 -0.069 -1.326
93 HB3 LEU 10 2HB LEU 10 16.612 -1.509 -0.539
94 HG LEU 10 HG LEU 10 14.937 -0.399 -2.692
95 HD11 LEU 10 1HD1 LEU 10 17.767 -0.986 -3.111
96 HD12 LEU 10 2HD1 LEU 10 16.615 -0.140 -4.144
97 HD13 LEU 10 3HD1 LEU 10 16.684 -1.902 -4.159
98 HD21 LEU 10 3HD2 LEU 10 15.958 -3.175 -2.106
99 HD22 LEU 10 1HD2 LEU 10 14.662 -2.741 -3.220
100 HD23 LEU 10 2HD2 LEU 10 14.453 -2.496 -1.485
101 H TRP 11 H TRP 11 16.166 -0.581 2.071
102 HA TRP 11 HA TRP 11 14.411 -2.711 2.461
103 HB2 TRP 11 2HB TRP 11 15.977 -0.977 4.355
104 HB3 TRP 11 3HB TRP 11 14.913 -2.244 4.959
105 HD1 TRP 11 1HD TRP 11 16.962 -2.794 1.776
106 HE1 TRP 11 1HE TRP 11 18.719 -4.618 2.234
107 HE3 TRP 11 3HE TRP 11 16.295 -3.318 6.819
108 HZ2 TRP 11 2HZ TRP 11 19.694 -6.085 4.439
109 HZ3 TRP 11 3HZ TRP 11 17.680 -4.955 8.027
110 HH2 TRP 11 2HH TRP 11 19.343 -6.309 6.860
111 H ASN 12 H ASN 12 14.062 0.711 3.223
112 HA ASN 12 HA ASN 12 11.676 0.463 4.731
113 HB2 ASN 12 1HB ASN 12 13.301 2.638 3.620
114 HB3 ASN 12 2HB ASN 12 11.578 3.001 3.668
115 HD21 ASN 12 2HD2 ASN 12 11.645 4.483 5.283
116 HD22 ASN 12 1HD2 ASN 12 12.074 4.106 6.914
117 H TRP 13 H TRP 13 12.352 0.856 1.309
118 HA TRP 13 HA TRP 13 9.798 1.538 0.410
119 HB2 TRP 13 2HB TRP 13 11.936 1.530 -0.938
120 HB3 TRP 13 3HB TRP 13 11.755 -0.216 -1.079
121 HD1 TRP 13 1HD TRP 13 10.071 3.055 -2.202
122 HE1 TRP 13 1HE TRP 13 8.620 2.552 -4.267
123 HE3 TRP 13 3HE TRP 13 10.537 -2.035 -2.300
124 HZ2 TRP 13 2HZ TRP 13 7.783 0.295 -5.742
125 HZ3 TRP 13 3HZ TRP 13 9.380 -3.292 -4.069
126 HH2 TRP 13 2HH TRP 13 8.031 -2.150 -5.754
127 H PHE 14 H PHE 14 11.015 -1.433 1.640
128 HA PHE 14 HA PHE 14 9.447 -3.342 0.417
129 HB2 PHE 14 2HB PHE 14 11.243 -3.731 2.142
130 HB3 PHE 14 3HB PHE 14 10.065 -3.293 3.374
131 HD1 PHE 14 1HD PHE 14 9.718 -5.367 0.302
132 HD2 PHE 14 2HD PHE 14 9.581 -5.214 4.554
133 HE1 PHE 14 1HE PHE 14 8.918 -7.693 0.356
134 HE2 PHE 14 2HE PHE 14 8.781 -7.540 4.615
135 HZ PHE 14 HZ PHE 14 8.449 -8.783 2.513
136 H ASP 15 H ASP 15 8.647 -1.623 3.439
137 HA ASP 15 HA ASP 15 6.057 -2.605 3.724
138 HB2 ASP 15 1HB ASP 15 7.244 -1.394 5.502
139 HB3 ASP 15 2HB ASP 15 7.129 0.096 4.568
140 H ILE 16 H ILE 16 7.260 0.149 1.885
141 HA ILE 16 HA ILE 16 4.721 1.213 1.207
142 HB ILE 16 HB ILE 16 7.435 1.527 -0.065
143 HG12 ILE 16 1HG1 ILE 16 6.975 3.923 0.825
144 HG13 ILE 16 2HG1 ILE 16 5.733 3.153 1.806
145 HG21 ILE 16 1HG2 ILE 16 6.075 3.600 -1.074
146 HG22 ILE 16 2HG2 ILE 16 6.245 2.059 -1.915
147 HG23 ILE 16 3HG2 ILE 16 4.776 2.409 -1.004
148 HD11 ILE 16 3HD1 ILE 16 7.962 3.501 2.908
149 HD12 ILE 16 1HD1 ILE 16 7.325 1.858 2.967
150 HD13 ILE 16 2HD1 ILE 16 8.601 2.269 1.819
151 H THR 17 H THR 17 6.694 -1.328 -0.118
152 HA THR 17 HA THR 17 5.712 -1.535 -2.699
153 HB THR 17 HB THR 17 6.165 -4.040 -1.127
154 HG1 THR 17 1HG THR 17 8.503 -3.533 -1.566
155 HG21 THR 17 3HG2 THR 17 7.602 -4.413 -3.262
156 HG22 THR 17 1HG2 THR 17 6.689 -3.049 -3.906
157 HG23 THR 17 2HG2 THR 17 5.845 -4.506 -3.380
158 H ASN 18 H ASN 18 4.436 -3.045 0.262
159 HA ASN 18 HA ASN 18 2.127 -4.068 -1.146
160 HB2 ASN 18 1HB ASN 18 3.055 -5.422 0.632
161 HB3 ASN 18 2HB ASN 18 2.886 -4.099 1.782
162 HD21 ASN 18 2HD2 ASN 18 1.082 -6.304 -0.285
163 HD22 ASN 18 1HD2 ASN 18 -0.354 -6.318 0.676
164 H TRP 19 H TRP 19 2.952 -1.328 0.830
165 HA TRP 19 HA TRP 19 0.478 -0.499 1.744
166 HB2 TRP 19 2HB TRP 19 2.584 0.596 2.370
167 HB3 TRP 19 3HB TRP 19 2.747 1.232 0.736
168 HD1 TRP 19 1HD TRP 19 -0.081 1.381 3.411
169 HE1 TRP 19 1HE TRP 19 -0.931 3.808 3.516
170 HE3 TRP 19 3HE TRP 19 2.971 3.461 -0.124
171 HZ2 TRP 19 2HZ TRP 19 -0.380 6.278 2.265
172 HZ3 TRP 19 3HZ TRP 19 2.745 5.862 -0.611
173 HH2 TRP 19 2HH TRP 19 1.104 7.240 0.559
174 H LEU 20 H LEU 20 2.017 0.248 -1.375
175 HA LEU 20 HA LEU 20 -0.052 1.844 -2.395
176 HB2 LEU 20 1HB LEU 20 2.353 0.561 -3.394
177 HB3 LEU 20 2HB LEU 20 1.064 0.585 -4.595
178 HG LEU 20 HG LEU 20 1.127 3.176 -3.572
179 HD11 LEU 20 1HD1 LEU 20 3.901 2.809 -4.420
180 HD12 LEU 20 2HD1 LEU 20 3.527 2.108 -2.846
181 HD13 LEU 20 3HD1 LEU 20 3.225 3.820 -3.143
182 HD21 LEU 20 3HD2 LEU 20 2.660 2.562 -6.030
183 HD22 LEU 20 1HD2 LEU 20 1.371 3.736 -5.755
184 HD23 LEU 20 2HD2 LEU 20 0.977 2.030 -5.977
185 H TRP 21 H TRP 21 0.281 -1.593 -2.110
186 HA TRP 21 HA TRP 21 -1.808 -2.195 -4.009
187 HB2 TRP 21 2HB TRP 21 0.264 -3.644 -2.781
188 HB3 TRP 21 3HB TRP 21 -1.232 -4.360 -2.187
189 HD1 TRP 21 1HD TRP 21 0.726 -3.790 -5.435
190 HE1 TRP 21 1HE TRP 21 -0.174 -5.406 -7.226
191 HE3 TRP 21 3HE TRP 21 -3.268 -5.694 -2.875
192 HZ2 TRP 21 2HZ TRP 21 -2.297 -7.243 -7.514
193 HZ3 TRP 21 3HZ TRP 21 -4.684 -7.375 -3.979
194 HH2 TRP 21 2HH TRP 21 -4.208 -8.133 -6.251
195 H TYR 22 H TYR 22 -1.532 -1.609 -0.599
196 HA TYR 22 HA TYR 22 -4.077 -2.753 0.086
197 HB2 TYR 22 2HB TYR 22 -2.241 -2.611 1.725
198 HB3 TYR 22 3HB TYR 22 -2.316 -0.854 1.652
199 HD1 TYR 22 1HD TYR 22 -4.316 0.331 2.543
200 HD2 TYR 22 2HD TYR 22 -3.774 -3.859 3.051
201 HE1 TYR 22 1HE TYR 22 -6.000 0.336 4.335
202 HE2 TYR 22 2HE TYR 22 -5.458 -3.865 4.844
203 HH TYR 22 HH TYR 22 -6.746 -0.924 6.164
204 H ILE 23 H ILE 23 -2.827 0.478 -0.583
205 HA ILE 23 HA ILE 23 -5.127 1.929 0.138
206 HB ILE 23 HB ILE 23 -4.234 3.736 -1.270
207 HG12 ILE 23 1HG1 ILE 23 -2.050 1.793 -2.039
208 HG13 ILE 23 2HG1 ILE 23 -3.405 2.198 -3.085
209 HG21 ILE 23 1HG2 ILE 23 -3.120 2.666 1.006
210 HG22 ILE 23 2HG2 ILE 23 -1.733 2.863 -0.064
211 HG23 ILE 23 3HG2 ILE 23 -2.753 4.249 0.321
212 HD11 ILE 23 3HD1 ILE 23 -1.209 3.417 -3.468
213 HD12 ILE 23 1HD1 ILE 23 -2.672 4.396 -3.368
214 HD13 ILE 23 2HD1 ILE 23 -1.578 4.301 -1.987
215 H LYS 24 H LYS 24 -4.363 0.032 -2.655
216 HA LYS 24 HA LYS 24 -6.325 1.190 -4.388
217 HB2 LYS 24 1HB LYS 24 -4.717 -1.357 -4.482
218 HB3 LYS 24 2HB LYS 24 -5.921 -0.968 -5.704
219 HG2 LYS 24 1HG LYS 24 -4.714 1.030 -6.316
220 HG3 LYS 24 2HG LYS 24 -3.545 0.752 -5.022
221 HD2 LYS 24 1HD LYS 24 -3.310 -1.585 -6.271
222 HD3 LYS 24 2HD LYS 24 -3.852 -0.613 -7.642
223 HE2 LYS 24 1HE LYS 24 -1.766 0.656 -6.029
224 HE3 LYS 24 2HE LYS 24 -1.263 -0.854 -6.788
225 HZ1 LYS 24 3HZ LYS 24 -2.088 0.062 -8.919
226 HZ2 LYS 24 1HZ LYS 24 -0.793 0.937 -8.268
227 HZ3 LYS 24 2HZ LYS 24 -2.369 1.540 -8.148
228 H LEU 25 H LEU 25 -6.148 -1.985 -2.764
229 HA LEU 25 HA LEU 25 -8.802 -2.724 -3.333
230 HB2 LEU 25 1HB LEU 25 -8.480 -4.362 -1.465
231 HB3 LEU 25 2HB LEU 25 -7.270 -4.423 -2.745
232 HG LEU 25 HG LEU 25 -6.084 -2.756 -0.938
233 HD11 LEU 25 1HD1 LEU 25 -7.130 -4.934 0.798
234 HD12 LEU 25 2HD1 LEU 25 -8.115 -3.492 0.557
235 HD13 LEU 25 3HD1 LEU 25 -6.493 -3.347 1.232
236 HD21 LEU 25 3HD2 LEU 25 -4.624 -4.596 -0.471
237 HD22 LEU 25 1HD2 LEU 25 -5.136 -4.711 -2.155
238 HD23 LEU 25 2HD2 LEU 25 -5.863 -5.762 -0.938
239 H PHE 26 H PHE 26 -7.359 -1.005 -0.618
240 HA PHE 26 HA PHE 26 -9.440 -1.038 1.194
241 HB2 PHE 26 2HB PHE 26 -7.313 -0.076 1.790
242 HB3 PHE 26 3HB PHE 26 -7.482 1.176 0.563
243 HD1 PHE 26 1HD PHE 26 -9.499 -0.140 3.419
244 HD2 PHE 26 2HD PHE 26 -7.963 3.259 1.369
245 HE1 PHE 26 1HE PHE 26 -10.555 1.335 5.081
246 HE2 PHE 26 2HE PHE 26 -9.017 4.740 3.027
247 HZ PHE 26 HZ PHE 26 -10.314 3.778 4.887
248 H ILE 27 H ILE 27 -8.818 1.590 -1.142
249 HA ILE 27 HA ILE 27 -11.211 2.956 -0.749
250 HB ILE 27 HB ILE 27 -9.593 2.785 -3.295
251 HG12 ILE 27 1HG1 ILE 27 -8.292 3.528 -1.327
252 HG13 ILE 27 2HG1 ILE 27 -8.496 4.816 -2.510
253 HG21 ILE 27 1HG2 ILE 27 -11.327 3.907 -4.155
254 HG22 ILE 27 2HG2 ILE 27 -12.009 4.255 -2.566
255 HG23 ILE 27 3HG2 ILE 27 -10.723 5.272 -3.215
256 HD11 ILE 27 3HD1 ILE 27 -8.775 5.671 -0.273
257 HD12 ILE 27 1HD1 ILE 27 -10.305 5.753 -1.146
258 HD13 ILE 27 2HD1 ILE 27 -10.039 4.485 0.051
259 H MET 28 H MET 28 -10.503 0.140 -2.692
260 HA MET 28 HA MET 28 -12.844 0.189 -4.287
261 HB2 MET 28 1HB MET 28 -10.796 -1.140 -4.798
262 HB3 MET 28 2HB MET 28 -11.207 -2.216 -3.469
263 HG2 MET 28 1HG MET 28 -13.494 -2.014 -5.104
264 HG3 MET 28 2HG MET 28 -12.111 -2.265 -6.168
265 HE1 MET 28 3HE MET 28 -14.194 -5.291 -3.562
266 HE2 MET 28 1HE MET 28 -13.838 -3.725 -2.831
267 HE3 MET 28 2HE MET 28 -14.797 -3.810 -4.310
268 H ILE 29 H ILE 29 -12.070 -1.252 -1.161
269 HA ILE 29 HA ILE 29 -14.571 -2.628 -0.918
270 HB ILE 29 HB ILE 29 -12.542 -1.936 1.211
271 HG12 ILE 29 1HG1 ILE 29 -12.786 -4.720 0.338
272 HG13 ILE 29 2HG1 ILE 29 -12.244 -3.638 -0.941
273 HG21 ILE 29 1HG2 ILE 29 -14.866 -3.856 1.239
274 HG22 ILE 29 2HG2 ILE 29 -13.622 -3.760 2.485
275 HG23 ILE 29 3HG2 ILE 29 -14.694 -2.388 2.201
276 HD11 ILE 29 3HD1 ILE 29 -10.238 -4.192 -0.057
277 HD12 ILE 29 1HD1 ILE 29 -10.614 -2.811 0.975
278 HD13 ILE 29 2HD1 ILE 29 -10.893 -4.453 1.559
279 H VAL 30 H VAL 30 -13.297 0.479 0.110
280 HA VAL 30 HA VAL 30 -15.291 1.199 1.939
281 HB VAL 30 HB VAL 30 -13.768 3.047 0.098
282 HG11 VAL 30 1HG1 VAL 30 -15.305 4.458 1.007
283 HG12 VAL 30 2HG1 VAL 30 -15.539 3.459 2.442
284 HG13 VAL 30 3HG1 VAL 30 -14.110 4.484 2.303
285 HG21 VAL 30 3HG2 VAL 30 -12.873 1.381 2.260
286 HG22 VAL 30 1HG2 VAL 30 -11.939 2.438 1.202
287 HG23 VAL 30 2HG2 VAL 30 -12.665 3.081 2.675
288 H GLY 31 H GLY 31 -15.097 1.671 -1.573
289 HA2 GLY 31 1HA GLY 31 -17.401 3.216 -1.905
290 HA3 GLY 31 2HA GLY 31 -16.713 2.157 -3.127
291 H LYS 32 H LYS 32 -17.051 -0.199 -1.329
292 HA LYS 32 HA LYS 32 -19.594 -1.017 -2.263
293 HB2 LYS 32 1HB LYS 32 -17.885 -2.274 -0.109
294 HB3 LYS 32 2HB LYS 32 -19.205 -3.055 -0.970
295 HG2 LYS 32 1HG LYS 32 -16.990 -1.934 -2.589
296 HG3 LYS 32 2HG LYS 32 -16.666 -3.392 -1.648
297 HD2 LYS 32 1HD LYS 32 -19.200 -3.500 -3.086
298 HD3 LYS 32 2HD LYS 32 -17.807 -3.304 -4.153
299 HE2 LYS 32 1HE LYS 32 -16.734 -5.230 -2.988
300 HE3 LYS 32 2HE LYS 32 -18.236 -5.465 -2.094
301 HZ1 LYS 32 3HZ LYS 32 -19.365 -6.094 -4.004
302 HZ2 LYS 32 1HZ LYS 32 -17.857 -6.834 -4.200
303 HZ3 LYS 32 2HZ LYS 32 -18.218 -5.415 -5.046
304 H LYS 33 H LYS 33 -18.415 -0.215 0.997
305 HA LYS 33 HA LYS 33 -20.931 -0.550 2.261
306 HB2 LYS 33 1HB LYS 33 -18.523 1.051 3.144
307 HB3 LYS 33 2HB LYS 33 -19.888 0.624 4.166
308 HG2 LYS 33 1HG LYS 33 -17.943 -1.287 2.888
309 HG3 LYS 33 2HG LYS 33 -18.026 -0.850 4.597
310 HD2 LYS 33 1HD LYS 33 -20.598 -1.677 3.998
311 HD3 LYS 33 2HD LYS 33 -19.575 -2.797 3.094
312 HE2 LYS 33 1HE LYS 33 -19.959 -3.734 5.259
313 HE3 LYS 33 2HE LYS 33 -18.284 -3.191 5.194
314 HZ1 LYS 33 3HZ LYS 33 -20.150 -1.221 6.184
315 HZ2 LYS 33 1HZ LYS 33 -18.632 -1.672 6.780
316 HZ3 LYS 33 2HZ LYS 33 -20.000 -2.590 7.164
317 H LYS 34 H LYS 34 -19.140 2.363 1.267
318 HA LYS 34 HA LYS 34 -21.027 4.257 2.039
319 HB2 LYS 34 1HB LYS 34 -18.654 4.655 1.228
320 HB3 LYS 34 2HB LYS 34 -19.278 4.491 -0.409
321 HG2 LYS 34 1HG LYS 34 -19.222 6.790 -0.030
322 HG3 LYS 34 2HG LYS 34 -20.914 6.346 0.211
323 HD2 LYS 34 1HD LYS 34 -20.814 7.307 2.214
324 HD3 LYS 34 2HD LYS 34 -19.687 6.042 2.712
325 HE2 LYS 34 1HE LYS 34 -18.470 7.941 3.169
326 HE3 LYS 34 2HE LYS 34 -17.916 7.559 1.539
327 HZ1 LYS 34 3HZ LYS 34 -18.388 9.773 1.344
328 HZ2 LYS 34 1HZ LYS 34 -19.672 9.729 2.444
329 HZ3 LYS 34 2HZ LYS 34 -19.878 9.120 0.880
330 H LYS 35 H LYS 35 -20.997 2.092 -0.665
331 HA LYS 35 HA LYS 35 -22.477 1.683 -2.344
332 HB2 LYS 35 1HB LYS 35 -24.433 3.219 -0.628
333 HB3 LYS 35 2HB LYS 35 -24.825 2.052 -1.884
334 HG2 LYS 35 1HG LYS 35 -23.140 0.710 -0.094
335 HG3 LYS 35 2HG LYS 35 -24.282 1.621 0.897
336 HD2 LYS 35 1HD LYS 35 -25.274 0.039 -1.438
337 HD3 LYS 35 2HD LYS 35 -24.890 -0.781 0.077
338 HE2 LYS 35 1HE LYS 35 -26.482 0.530 1.274
339 HE3 LYS 35 2HE LYS 35 -26.727 1.599 -0.106
340 HZ1 LYS 35 3HZ LYS 35 -27.888 -0.039 -1.260
341 HZ2 LYS 35 1HZ LYS 35 -28.466 -0.183 0.324
342 HZ3 LYS 35 2HZ LYS 35 -27.331 -1.289 -0.266
343 H LYS 36 H LYS 36 -21.351 3.017 -3.824
344 HA LYS 36 HA LYS 36 -21.653 5.759 -4.149
345 HB2 LYS 36 1HB LYS 36 -19.932 4.581 -5.342
346 HB3 LYS 36 2HB LYS 36 -21.118 3.595 -6.187
347 HG2 LYS 36 1HG LYS 36 -20.166 5.344 -7.614
348 HG3 LYS 36 2HG LYS 36 -21.909 5.527 -7.407
349 HD2 LYS 36 1HD LYS 36 -21.664 7.366 -5.989
350 HD3 LYS 36 2HD LYS 36 -19.977 6.989 -5.639
351 HE2 LYS 36 1HE LYS 36 -20.065 8.897 -7.100
352 HE3 LYS 36 2HE LYS 36 -19.419 7.522 -7.994
353 HZ1 LYS 36 3HZ LYS 36 -22.137 8.686 -8.175
354 HZ2 LYS 36 1HZ LYS 36 -21.747 7.174 -8.827
355 HZ3 LYS 36 2HZ LYS 36 -20.974 8.567 -9.397
Start of MODEL 5
1 H1 LYS 1 H LYS 1 21.360 12.459 10.430
2 HA LYS 1 HA LYS 1 20.411 14.555 9.333
3 HB2 LYS 1 1HB LYS 1 22.669 15.227 8.350
4 HB3 LYS 1 2HB LYS 1 22.646 14.767 10.047
5 HG2 LYS 1 1HG LYS 1 23.846 12.869 9.696
6 HG3 LYS 1 2HG LYS 1 23.228 12.646 8.058
7 HD2 LYS 1 1HD LYS 1 25.246 13.386 7.411
8 HD3 LYS 1 2HD LYS 1 24.622 14.984 7.824
9 HE2 LYS 1 1HE LYS 1 25.745 15.039 9.849
10 HE3 LYS 1 2HE LYS 1 25.897 13.284 9.928
11 HZ1 LYS 1 3HZ LYS 1 27.244 14.192 7.646
12 HZ2 LYS 1 1HZ LYS 1 27.892 13.449 9.020
13 HZ3 LYS 1 2HZ LYS 1 27.752 15.133 8.956
14 H LYS 2 H LYS 2 18.814 13.952 7.789
15 HA LYS 2 HA LYS 2 17.936 13.732 5.702
16 HB2 LYS 2 1HB LYS 2 19.015 15.825 5.253
17 HB3 LYS 2 2HB LYS 2 20.573 15.040 5.032
18 HG2 LYS 2 1HG LYS 2 19.575 15.723 2.908
19 HG3 LYS 2 2HG LYS 2 19.780 13.972 3.006
20 HD2 LYS 2 1HD LYS 2 17.506 13.590 3.223
21 HD3 LYS 2 2HD LYS 2 17.185 15.221 3.817
22 HE2 LYS 2 1HE LYS 2 18.259 15.562 1.261
23 HE3 LYS 2 2HE LYS 2 17.145 14.203 1.117
24 HZ1 LYS 2 3HZ LYS 2 16.492 16.872 1.142
25 HZ2 LYS 2 1HZ LYS 2 16.009 16.302 2.659
26 HZ3 LYS 2 2HZ LYS 2 15.421 15.568 1.254
27 H LYS 3 H LYS 3 17.825 11.499 5.592
28 HA LYS 3 HA LYS 3 18.210 9.426 4.739
29 HB2 LYS 3 1HB LYS 3 19.399 11.275 2.799
30 HB3 LYS 3 2HB LYS 3 20.091 9.659 2.747
31 HG2 LYS 3 1HG LYS 3 18.134 8.691 2.055
32 HG3 LYS 3 2HG LYS 3 17.129 9.950 2.779
33 HD2 LYS 3 1HD LYS 3 17.872 11.524 1.047
34 HD3 LYS 3 2HD LYS 3 18.853 10.250 0.320
35 HE2 LYS 3 1HE LYS 3 16.138 9.363 0.705
36 HE3 LYS 3 2HE LYS 3 16.180 10.859 -0.226
37 HZ1 LYS 3 3HZ LYS 3 18.141 8.915 -1.046
38 HZ2 LYS 3 1HZ LYS 3 17.062 9.826 -1.979
39 HZ3 LYS 3 2HZ LYS 3 16.545 8.392 -1.246
40 H LYS 4 H LYS 4 19.202 8.369 6.386
41 HA LYS 4 HA LYS 4 21.856 8.802 7.236
42 HB2 LYS 4 1HB LYS 4 19.768 6.741 7.719
43 HB3 LYS 4 2HB LYS 4 21.428 6.307 8.107
44 HG2 LYS 4 1HG LYS 4 21.407 8.607 9.364
45 HG3 LYS 4 2HG LYS 4 19.660 8.354 9.348
46 HD2 LYS 4 1HD LYS 4 19.842 6.950 11.062
47 HD3 LYS 4 2HD LYS 4 20.905 5.913 10.108
48 HE2 LYS 4 1HE LYS 4 22.821 6.850 10.978
49 HE3 LYS 4 2HE LYS 4 22.021 8.369 11.380
50 HZ1 LYS 4 3HZ LYS 4 20.934 6.146 12.815
51 HZ2 LYS 4 1HZ LYS 4 21.513 7.626 13.398
52 HZ3 LYS 4 2HZ LYS 4 22.587 6.349 13.117
53 H ASP 5 H ASP 5 20.495 6.048 5.417
54 HA ASP 5 HA ASP 5 23.067 5.806 4.019
55 HB2 ASP 5 1HB ASP 5 21.559 3.347 4.852
56 HB3 ASP 5 2HB ASP 5 23.252 3.506 4.395
57 H LYS 6 H LYS 6 22.825 4.210 2.124
58 HA LYS 6 HA LYS 6 20.578 5.117 0.549
59 HB2 LYS 6 1HB LYS 6 23.220 4.066 0.042
60 HB3 LYS 6 2HB LYS 6 22.023 3.204 -0.917
61 HG2 LYS 6 1HG LYS 6 22.890 5.055 -2.180
62 HG3 LYS 6 2HG LYS 6 21.198 5.360 -1.777
63 HD2 LYS 6 1HD LYS 6 21.908 7.353 -1.046
64 HD3 LYS 6 2HD LYS 6 22.537 6.473 0.348
65 HE2 LYS 6 1HE LYS 6 24.367 7.710 -0.388
66 HE3 LYS 6 2HE LYS 6 24.639 6.116 -1.090
67 HZ1 LYS 6 3HZ LYS 6 23.187 7.387 -2.988
68 HZ2 LYS 6 1HZ LYS 6 24.871 7.219 -2.996
69 HZ3 LYS 6 2HZ LYS 6 24.164 8.632 -2.391
70 H TRP 7 H TRP 7 21.697 2.125 2.014
71 HA TRP 7 HA TRP 7 19.738 0.465 0.764
72 HB2 TRP 7 2HB TRP 7 20.460 -1.233 2.408
73 HB3 TRP 7 3HB TRP 7 21.826 -0.486 1.585
74 HD1 TRP 7 1HD TRP 7 20.111 -0.627 5.011
75 HE1 TRP 7 1HE TRP 7 21.759 0.242 6.787
76 HE3 TRP 7 3HE TRP 7 23.842 1.008 1.923
77 HZ2 TRP 7 2HZ TRP 7 24.304 1.460 6.868
78 HZ3 TRP 7 3HZ TRP 7 25.850 2.013 2.930
79 HH2 TRP 7 2HH TRP 7 26.074 2.234 5.351
80 H ALA 8 H ALA 8 19.867 2.385 3.673
81 HA ALA 8 HA ALA 8 17.795 1.261 5.146
82 HB1 ALA 8 3HB ALA 8 19.418 3.499 5.365
83 HB2 ALA 8 1HB ALA 8 17.779 4.149 5.311
84 HB3 ALA 8 2HB ALA 8 18.214 2.951 6.531
85 H SER 9 H SER 9 17.668 3.728 2.600
86 HA SER 9 HA SER 9 14.838 4.067 2.763
87 HB2 SER 9 1HB SER 9 15.772 5.938 1.816
88 HB3 SER 9 2HB SER 9 17.014 5.020 0.965
89 HG SER 9 HG SER 9 15.617 4.576 -0.634
90 H LEU 10 H LEU 10 16.996 2.049 0.877
91 HA LEU 10 HA LEU 10 15.127 1.185 -1.054
92 HB2 LEU 10 1HB LEU 10 17.713 0.934 -0.945
93 HB3 LEU 10 2HB LEU 10 17.353 -0.555 -0.074
94 HG LEU 10 HG LEU 10 16.059 -0.105 -2.720
95 HD11 LEU 10 1HD1 LEU 10 17.910 -0.263 -3.952
96 HD12 LEU 10 2HD1 LEU 10 18.604 -1.500 -2.906
97 HD13 LEU 10 3HD1 LEU 10 18.784 0.205 -2.494
98 HD21 LEU 10 3HD2 LEU 10 15.449 -2.048 -1.404
99 HD22 LEU 10 1HD2 LEU 10 17.144 -2.522 -1.277
100 HD23 LEU 10 2HD2 LEU 10 16.336 -2.545 -2.846
101 H TRP 11 H TRP 11 16.308 -0.448 1.890
102 HA TRP 11 HA TRP 11 14.631 -2.660 1.786
103 HB2 TRP 11 2HB TRP 11 16.004 -1.223 4.033
104 HB3 TRP 11 3HB TRP 11 14.908 -2.556 4.382
105 HD1 TRP 11 1HD TRP 11 17.258 -2.587 1.347
106 HE1 TRP 11 1HE TRP 11 18.956 -4.497 1.652
107 HE3 TRP 11 3HE TRP 11 16.046 -3.999 6.108
108 HZ2 TRP 11 2HZ TRP 11 19.685 -6.357 3.646
109 HZ3 TRP 11 3HZ TRP 11 17.290 -5.853 7.142
110 HH2 TRP 11 2HH TRP 11 19.071 -7.006 5.934
111 H ASN 12 H ASN 12 13.963 0.612 2.749
112 HA ASN 12 HA ASN 12 11.591 0.119 4.215
113 HB2 ASN 12 1HB ASN 12 12.974 2.467 3.089
114 HB3 ASN 12 2HB ASN 12 11.228 2.639 3.235
115 HD21 ASN 12 2HD2 ASN 12 13.369 3.990 4.675
116 HD22 ASN 12 1HD2 ASN 12 13.092 3.672 6.352
117 H TRP 13 H TRP 13 12.301 0.357 0.824
118 HA TRP 13 HA TRP 13 9.767 0.949 -0.193
119 HB2 TRP 13 2HB TRP 13 11.941 0.848 -1.480
120 HB3 TRP 13 3HB TRP 13 11.771 -0.905 -1.486
121 HD1 TRP 13 1HD TRP 13 10.103 2.257 -2.909
122 HE1 TRP 13 1HE TRP 13 8.710 1.582 -4.965
123 HE3 TRP 13 3HE TRP 13 10.594 -2.822 -2.589
124 HZ2 TRP 13 2HZ TRP 13 7.922 -0.790 -6.277
125 HZ3 TRP 13 3HZ TRP 13 9.489 -4.223 -4.284
126 HH2 TRP 13 2HH TRP 13 8.181 -3.226 -6.089
127 H PHE 14 H PHE 14 10.964 -1.907 1.300
128 HA PHE 14 HA PHE 14 9.439 -3.918 0.193
129 HB2 PHE 14 2HB PHE 14 11.129 -4.377 1.873
130 HB3 PHE 14 3HB PHE 14 10.198 -3.513 3.092
131 HD1 PHE 14 1HD PHE 14 9.163 -6.037 0.558
132 HD2 PHE 14 2HD PHE 14 9.559 -5.055 4.681
133 HE1 PHE 14 1HE PHE 14 8.022 -8.131 1.163
134 HE2 PHE 14 2HE PHE 14 8.420 -7.147 5.292
135 HZ PHE 14 HZ PHE 14 7.650 -8.690 3.533
136 H ASP 15 H ASP 15 8.551 -1.969 3.046
137 HA ASP 15 HA ASP 15 5.959 -2.943 3.340
138 HB2 ASP 15 1HB ASP 15 7.181 -1.537 5.004
139 HB3 ASP 15 2HB ASP 15 6.894 -0.138 3.973
140 H ILE 16 H ILE 16 7.197 -0.335 1.321
141 HA ILE 16 HA ILE 16 4.672 0.655 0.495
142 HB ILE 16 HB ILE 16 7.418 0.885 -0.726
143 HG12 ILE 16 1HG1 ILE 16 6.923 3.342 -0.042
144 HG13 ILE 16 2HG1 ILE 16 5.660 2.643 0.965
145 HG21 ILE 16 1HG2 ILE 16 4.781 1.671 -1.801
146 HG22 ILE 16 2HG2 ILE 16 6.074 2.863 -1.930
147 HG23 ILE 16 3HG2 ILE 16 6.274 1.262 -2.644
148 HD11 ILE 16 3HD1 ILE 16 7.858 3.092 2.094
149 HD12 ILE 16 1HD1 ILE 16 7.227 1.454 2.265
150 HD13 ILE 16 2HD1 ILE 16 8.530 1.782 1.123
151 H THR 17 H THR 17 6.692 -1.970 -0.572
152 HA THR 17 HA THR 17 5.781 -2.387 -3.154
153 HB THR 17 HB THR 17 6.202 -4.755 -1.376
154 HG1 THR 17 1HG THR 17 8.532 -4.304 -1.718
155 HG21 THR 17 3HG2 THR 17 7.694 -5.295 -3.435
156 HG22 THR 17 1HG2 THR 17 6.800 -3.987 -4.209
157 HG23 THR 17 2HG2 THR 17 5.941 -5.398 -3.593
158 H ASN 18 H ASN 18 4.471 -3.782 -0.144
159 HA ASN 18 HA ASN 18 2.194 -4.883 -1.523
160 HB2 ASN 18 1HB ASN 18 3.137 -6.067 0.394
161 HB3 ASN 18 2HB ASN 18 2.817 -4.680 1.431
162 HD21 ASN 18 2HD2 ASN 18 1.581 -7.530 0.067
163 HD22 ASN 18 1HD2 ASN 18 -0.028 -7.411 0.685
164 H TRP 19 H TRP 19 2.951 -1.990 0.239
165 HA TRP 19 HA TRP 19 0.465 -1.116 1.065
166 HB2 TRP 19 2HB TRP 19 2.509 0.083 1.620
167 HB3 TRP 19 3HB TRP 19 2.745 0.516 -0.070
168 HD1 TRP 19 1HD TRP 19 0.049 1.103 2.669
169 HE1 TRP 19 1HE TRP 19 -0.887 3.480 2.354
170 HE3 TRP 19 3HE TRP 19 2.678 2.463 -1.499
171 HZ2 TRP 19 2HZ TRP 19 -0.554 5.645 0.574
172 HZ3 TRP 19 3HZ TRP 19 2.310 4.705 -2.446
173 HH2 TRP 19 2HH TRP 19 0.726 6.261 -1.430
174 H LEU 20 H LEU 20 1.984 -0.698 -2.119
175 HA LEU 20 HA LEU 20 -0.013 0.834 -3.315
176 HB2 LEU 20 1HB LEU 20 2.270 -0.734 -4.173
177 HB3 LEU 20 2HB LEU 20 0.949 -0.802 -5.337
178 HG LEU 20 HG LEU 20 1.469 1.913 -4.468
179 HD11 LEU 20 1HD1 LEU 20 3.747 1.092 -4.167
180 HD12 LEU 20 2HD1 LEU 20 3.636 2.174 -5.553
181 HD13 LEU 20 3HD1 LEU 20 3.731 0.431 -5.802
182 HD21 LEU 20 3HD2 LEU 20 1.811 0.779 -7.222
183 HD22 LEU 20 1HD2 LEU 20 1.252 2.380 -6.740
184 HD23 LEU 20 2HD2 LEU 20 0.212 0.975 -6.505
185 H TRP 21 H TRP 21 0.147 -2.586 -2.665
186 HA TRP 21 HA TRP 21 -2.096 -3.233 -4.362
187 HB2 TRP 21 2HB TRP 21 -0.021 -4.686 -3.184
188 HB3 TRP 21 3HB TRP 21 -1.477 -5.235 -2.358
189 HD1 TRP 21 1HD TRP 21 0.064 -5.064 -5.882
190 HE1 TRP 21 1HE TRP 21 -1.085 -6.836 -7.353
191 HE3 TRP 21 3HE TRP 21 -3.543 -6.621 -2.610
192 HZ2 TRP 21 2HZ TRP 21 -3.235 -8.653 -7.154
193 HZ3 TRP 21 3HZ TRP 21 -5.106 -8.380 -3.328
194 HH2 TRP 21 2HH TRP 21 -4.955 -9.374 -5.553
195 H TYR 22 H TYR 22 -1.567 -2.313 -1.066
196 HA TYR 22 HA TYR 22 -4.117 -3.248 -0.113
197 HB2 TYR 22 2HB TYR 22 -2.093 -3.030 1.343
198 HB3 TYR 22 3HB TYR 22 -2.229 -1.282 1.194
199 HD1 TYR 22 2HD TYR 22 -4.221 -0.121 2.153
200 HD2 TYR 22 1HD TYR 22 -3.463 -4.249 2.853
201 HE1 TYR 22 2HE TYR 22 -5.771 -0.075 4.061
202 HE2 TYR 22 1HE TYR 22 -5.012 -4.215 4.763
203 HH TYR 22 HH TYR 22 -5.852 -2.115 6.415
204 H ILE 23 H ILE 23 -2.722 -0.165 -1.123
205 HA ILE 23 HA ILE 23 -4.876 1.488 -0.408
206 HB ILE 23 HB ILE 23 -3.976 3.107 -2.008
207 HG12 ILE 23 1HG1 ILE 23 -2.009 0.956 -2.807
208 HG13 ILE 23 2HG1 ILE 23 -3.419 1.395 -3.765
209 HG21 ILE 23 1HG2 ILE 23 -1.418 2.242 -1.004
210 HG22 ILE 23 2HG2 ILE 23 -2.408 3.617 -0.518
211 HG23 ILE 23 3HG2 ILE 23 -2.676 2.036 0.215
212 HD11 ILE 23 3HD1 ILE 23 -2.426 3.207 -4.595
213 HD12 ILE 23 1HD1 ILE 23 -1.742 3.666 -3.036
214 HD13 ILE 23 2HD1 ILE 23 -0.930 2.460 -4.035
215 H LYS 24 H LYS 24 -4.432 -0.700 -3.050
216 HA LYS 24 HA LYS 24 -6.420 0.424 -4.768
217 HB2 LYS 24 1HB LYS 24 -4.988 -2.222 -4.683
218 HB3 LYS 24 2HB LYS 24 -6.277 -1.915 -5.839
219 HG2 LYS 24 1HG LYS 24 -4.976 0.079 -6.620
220 HG3 LYS 24 2HG LYS 24 -3.647 -0.478 -5.602
221 HD2 LYS 24 1HD LYS 24 -3.572 -2.582 -6.832
222 HD3 LYS 24 2HD LYS 24 -4.930 -2.060 -7.830
223 HE2 LYS 24 1HE LYS 24 -2.699 -0.165 -7.754
224 HE3 LYS 24 2HE LYS 24 -2.287 -1.730 -8.452
225 HZ1 LYS 24 3HZ LYS 24 -3.088 -0.734 -10.298
226 HZ2 LYS 24 1HZ LYS 24 -4.093 0.328 -9.445
227 HZ3 LYS 24 2HZ LYS 24 -4.571 -1.275 -9.691
228 H LEU 25 H LEU 25 -6.377 -2.563 -2.814
229 HA LEU 25 HA LEU 25 -9.131 -3.100 -3.140
230 HB2 LEU 25 1HB LEU 25 -8.791 -4.614 -1.163
231 HB3 LEU 25 2HB LEU 25 -7.733 -4.900 -2.543
232 HG LEU 25 HG LEU 25 -6.232 -3.215 -0.982
233 HD11 LEU 25 1HD1 LEU 25 -8.018 -3.532 0.791
234 HD12 LEU 25 2HD1 LEU 25 -6.357 -3.880 1.271
235 HD13 LEU 25 3HD1 LEU 25 -7.464 -5.203 0.905
236 HD21 LEU 25 3HD2 LEU 25 -6.225 -6.225 -0.828
237 HD22 LEU 25 1HD2 LEU 25 -4.864 -5.132 -0.573
238 HD23 LEU 25 2HD2 LEU 25 -5.569 -5.300 -2.180
239 H PHE 26 H PHE 26 -7.301 -1.416 -0.631
240 HA PHE 26 HA PHE 26 -9.253 -1.091 1.292
241 HB2 PHE 26 2HB PHE 26 -6.981 -0.386 1.704
242 HB3 PHE 26 3HB PHE 26 -7.082 0.829 0.434
243 HD1 PHE 26 2HD PHE 26 -9.353 -0.047 3.258
244 HD2 PHE 26 1HD PHE 26 -6.940 2.915 1.383
245 HE1 PHE 26 2HE PHE 26 -10.108 1.610 4.912
246 HE2 PHE 26 1HE PHE 26 -7.691 4.577 3.034
247 HZ PHE 26 HZ PHE 26 -9.278 3.926 4.802
248 H ILE 27 H ILE 27 -8.443 1.342 -1.190
249 HA ILE 27 HA ILE 27 -10.648 2.990 -0.745
250 HB ILE 27 HB ILE 27 -9.151 2.577 -3.336
251 HG12 ILE 27 1HG1 ILE 27 -7.709 3.216 -1.429
252 HG13 ILE 27 2HG1 ILE 27 -7.803 4.486 -2.644
253 HG21 ILE 27 1HG2 ILE 27 -11.077 4.691 -2.421
254 HG22 ILE 27 2HG2 ILE 27 -9.917 4.974 -3.719
255 HG23 ILE 27 3HG2 ILE 27 -11.134 3.709 -3.885
256 HD11 ILE 27 3HD1 ILE 27 -9.849 4.856 -0.673
257 HD12 ILE 27 1HD1 ILE 27 -8.270 4.705 0.099
258 HD13 ILE 27 2HD1 ILE 27 -8.533 5.932 -1.141
259 H MET 28 H MET 28 -10.387 -0.005 -2.459
260 HA MET 28 HA MET 28 -12.758 0.293 -4.027
261 HB2 MET 28 1HB MET 28 -10.848 -1.271 -4.541
262 HB3 MET 28 2HB MET 28 -11.410 -2.285 -3.219
263 HG2 MET 28 1HG MET 28 -13.692 -2.049 -4.600
264 HG3 MET 28 2HG MET 28 -12.530 -1.884 -5.914
265 HE1 MET 28 3HE MET 28 -12.995 -5.568 -3.183
266 HE2 MET 28 1HE MET 28 -12.406 -4.024 -2.566
267 HE3 MET 28 2HE MET 28 -14.056 -4.157 -3.177
268 H ILE 29 H ILE 29 -12.006 -1.018 -0.858
269 HA ILE 29 HA ILE 29 -14.628 -2.148 -0.476
270 HB ILE 29 HB ILE 29 -12.424 -1.657 1.530
271 HG12 ILE 29 1HG1 ILE 29 -13.044 -4.409 0.741
272 HG13 ILE 29 2HG1 ILE 29 -12.436 -3.425 -0.586
273 HG21 ILE 29 1HG2 ILE 29 -14.051 -2.050 3.015
274 HG22 ILE 29 2HG2 ILE 29 -15.159 -2.648 1.781
275 HG23 ILE 29 3HG2 ILE 29 -13.947 -3.725 2.474
276 HD11 ILE 29 3HD1 ILE 29 -10.529 -2.788 0.943
277 HD12 ILE 29 1HD1 ILE 29 -11.088 -4.073 2.012
278 HD13 ILE 29 2HD1 ILE 29 -10.560 -4.457 0.373
279 H VAL 30 H VAL 30 -12.937 0.799 0.433
280 HA VAL 30 HA VAL 30 -14.715 1.795 2.336
281 HB VAL 30 HB VAL 30 -13.176 3.443 0.327
282 HG11 VAL 30 1HG1 VAL 30 -13.143 5.071 2.256
283 HG12 VAL 30 2HG1 VAL 30 -14.713 4.825 1.486
284 HG13 VAL 30 3HG1 VAL 30 -14.353 4.049 3.029
285 HG21 VAL 30 3HG2 VAL 30 -12.223 1.668 2.357
286 HG22 VAL 30 1HG2 VAL 30 -11.303 2.685 1.248
287 HG23 VAL 30 2HG2 VAL 30 -11.830 3.329 2.802
288 H GLY 31 H GLY 31 -14.685 2.258 -1.192
289 HA2 GLY 31 1HA GLY 31 -16.876 3.978 -1.377
290 HA3 GLY 31 2HA GLY 31 -16.342 2.889 -2.648
291 H LYS 32 H LYS 32 -16.768 0.451 -1.245
292 HA LYS 32 HA LYS 32 -19.479 -0.005 -1.859
293 HB2 LYS 32 1HB LYS 32 -17.608 -1.677 -0.170
294 HB3 LYS 32 2HB LYS 32 -19.130 -2.227 -0.860
295 HG2 LYS 32 1HG LYS 32 -17.425 -1.112 -2.897
296 HG3 LYS 32 2HG LYS 32 -16.601 -2.393 -2.006
297 HD2 LYS 32 1HD LYS 32 -18.737 -3.759 -2.353
298 HD3 LYS 32 2HD LYS 32 -19.172 -2.539 -3.553
299 HE2 LYS 32 1HE LYS 32 -16.444 -3.523 -3.851
300 HE3 LYS 32 2HE LYS 32 -17.658 -4.793 -4.009
301 HZ1 LYS 32 3HZ LYS 32 -17.411 -3.959 -6.149
302 HZ2 LYS 32 1HZ LYS 32 -17.332 -2.349 -5.634
303 HZ3 LYS 32 2HZ LYS 32 -18.805 -3.179 -5.592
304 H LYS 33 H LYS 33 -17.836 0.826 1.112
305 HA LYS 33 HA LYS 33 -20.134 0.300 2.777
306 HB2 LYS 33 1HB LYS 33 -17.537 1.730 3.375
307 HB3 LYS 33 2HB LYS 33 -18.760 1.319 4.571
308 HG2 LYS 33 1HG LYS 33 -17.193 -0.640 2.904
309 HG3 LYS 33 2HG LYS 33 -16.914 -0.264 4.606
310 HD2 LYS 33 1HD LYS 33 -19.643 -0.915 4.369
311 HD3 LYS 33 2HD LYS 33 -18.758 -2.125 3.438
312 HE2 LYS 33 1HE LYS 33 -17.212 -2.149 5.565
313 HE3 LYS 33 2HE LYS 33 -18.654 -1.513 6.353
314 HZ1 LYS 33 3HZ LYS 33 -18.478 -3.959 6.434
315 HZ2 LYS 33 1HZ LYS 33 -18.594 -4.008 4.747
316 HZ3 LYS 33 2HZ LYS 33 -19.889 -3.426 5.666
317 H LYS 34 H LYS 34 -18.671 3.054 1.184
318 HA LYS 34 HA LYS 34 -19.930 5.148 2.502
319 HB2 LYS 34 1HB LYS 34 -18.316 4.870 0.254
320 HB3 LYS 34 2HB LYS 34 -19.798 5.577 -0.374
321 HG2 LYS 34 1HG LYS 34 -19.509 7.211 1.655
322 HG3 LYS 34 2HG LYS 34 -17.822 6.701 1.546
323 HD2 LYS 34 1HD LYS 34 -17.875 8.564 0.166
324 HD3 LYS 34 2HD LYS 34 -18.084 7.236 -0.979
325 HE2 LYS 34 1HE LYS 34 -19.987 8.147 -1.665
326 HE3 LYS 34 2HE LYS 34 -20.653 7.956 -0.044
327 HZ1 LYS 34 3HZ LYS 34 -20.837 10.202 -0.346
328 HZ2 LYS 34 1HZ LYS 34 -19.434 10.320 -1.284
329 HZ3 LYS 34 2HZ LYS 34 -19.316 10.131 0.393
330 H LYS 35 H LYS 35 -21.091 3.178 -0.205
331 HA LYS 35 HA LYS 35 -23.549 4.596 -0.494
332 HB2 LYS 35 1HB LYS 35 -22.317 3.076 -2.199
333 HB3 LYS 35 2HB LYS 35 -23.135 1.754 -1.376
334 HG2 LYS 35 1HG LYS 35 -25.040 3.792 -1.965
335 HG3 LYS 35 2HG LYS 35 -24.121 3.417 -3.425
336 HD2 LYS 35 1HD LYS 35 -24.947 1.308 -3.563
337 HD3 LYS 35 2HD LYS 35 -25.027 1.111 -1.811
338 HE2 LYS 35 1HE LYS 35 -27.217 1.468 -1.924
339 HE3 LYS 35 2HE LYS 35 -26.882 3.116 -2.453
340 HZ1 LYS 35 3HZ LYS 35 -26.563 1.591 -4.700
341 HZ2 LYS 35 1HZ LYS 35 -27.899 2.561 -4.330
342 HZ3 LYS 35 2HZ LYS 35 -27.916 0.915 -3.942
343 H LYS 36 H LYS 36 -24.788 4.686 1.306
344 HA LYS 36 HA LYS 36 -25.108 2.627 3.190
345 HB2 LYS 36 1HB LYS 36 -25.762 5.210 3.192
346 HB3 LYS 36 2HB LYS 36 -27.332 4.556 2.743
347 HG2 LYS 36 1HG LYS 36 -26.904 2.975 4.793
348 HG3 LYS 36 2HG LYS 36 -25.812 4.272 5.283
349 HD2 LYS 36 1HD LYS 36 -27.507 5.741 5.658
350 HD3 LYS 36 2HD LYS 36 -28.520 5.066 4.380
351 HE2 LYS 36 1HE LYS 36 -29.642 4.482 6.336
352 HE3 LYS 36 2HE LYS 36 -28.744 3.022 5.923
353 HZ1 LYS 36 3HZ LYS 36 -27.075 4.555 7.516
354 HZ2 LYS 36 1HZ LYS 36 -27.846 3.107 7.929
355 HZ3 LYS 36 2HZ LYS 36 -28.591 4.588 8.267
Start of MODEL 6
1 H1 LYS 1 H LYS 1 23.388 16.024 3.473
2 HA LYS 1 HA LYS 1 22.245 17.183 1.537
3 HB2 LYS 1 1HB LYS 1 23.254 16.659 -0.674
4 HB3 LYS 1 2HB LYS 1 24.259 17.705 0.320
5 HG2 LYS 1 1HG LYS 1 24.744 14.780 0.455
6 HG3 LYS 1 2HG LYS 1 25.254 15.645 -0.998
7 HD2 LYS 1 1HD LYS 1 26.054 17.203 1.219
8 HD3 LYS 1 2HD LYS 1 26.513 15.535 1.566
9 HE2 LYS 1 1HE LYS 1 28.350 16.462 0.429
10 HE3 LYS 1 2HE LYS 1 27.508 15.482 -0.770
11 HZ1 LYS 1 3HZ LYS 1 27.828 17.396 -1.938
12 HZ2 LYS 1 1HZ LYS 1 27.732 18.397 -0.577
13 HZ3 LYS 1 2HZ LYS 1 26.323 17.749 -1.251
14 H LYS 2 H LYS 2 21.370 15.244 3.008
15 HA LYS 2 HA LYS 2 20.253 13.261 3.102
16 HB2 LYS 2 1HB LYS 2 20.058 13.477 0.100
17 HB3 LYS 2 2HB LYS 2 18.924 12.706 1.204
18 HG2 LYS 2 1HG LYS 2 19.483 15.664 1.095
19 HG3 LYS 2 2HG LYS 2 18.109 14.857 0.335
20 HD2 LYS 2 1HD LYS 2 17.726 13.929 2.765
21 HD3 LYS 2 2HD LYS 2 18.672 15.348 3.222
22 HE2 LYS 2 1HE LYS 2 17.047 16.804 2.589
23 HE3 LYS 2 2HE LYS 2 16.476 15.768 1.282
24 HZ1 LYS 2 3HZ LYS 2 14.999 14.765 2.614
25 HZ2 LYS 2 1HZ LYS 2 15.179 16.132 3.594
26 HZ3 LYS 2 2HZ LYS 2 16.043 14.722 3.943
27 H LYS 3 H LYS 3 23.060 13.026 2.980
28 HA LYS 3 HA LYS 3 23.658 10.844 1.161
29 HB2 LYS 3 1HB LYS 3 25.170 12.831 2.468
30 HB3 LYS 3 2HB LYS 3 25.701 11.296 3.140
31 HG2 LYS 3 1HG LYS 3 25.484 11.045 0.305
32 HG3 LYS 3 2HG LYS 3 26.440 12.477 0.695
33 HD2 LYS 3 1HD LYS 3 28.113 11.263 1.658
34 HD3 LYS 3 2HD LYS 3 27.020 9.992 2.210
35 HE2 LYS 3 1HE LYS 3 26.810 9.670 -0.454
36 HE3 LYS 3 2HE LYS 3 28.459 10.287 -0.351
37 HZ1 LYS 3 3HZ LYS 3 27.489 8.023 1.296
38 HZ2 LYS 3 1HZ LYS 3 29.088 8.511 1.041
39 HZ3 LYS 3 2HZ LYS 3 28.208 7.809 -0.221
40 H LYS 4 H LYS 4 24.870 8.922 2.126
41 HA LYS 4 HA LYS 4 24.803 7.017 3.365
42 HB2 LYS 4 1HB LYS 4 24.717 9.208 5.281
43 HB3 LYS 4 2HB LYS 4 23.939 7.756 5.900
44 HG2 LYS 4 1HG LYS 4 26.605 7.484 4.617
45 HG3 LYS 4 2HG LYS 4 26.513 8.197 6.229
46 HD2 LYS 4 1HD LYS 4 25.162 5.596 5.565
47 HD3 LYS 4 2HD LYS 4 26.852 5.664 6.066
48 HE2 LYS 4 1HE LYS 4 26.100 6.911 8.106
49 HE3 LYS 4 2HE LYS 4 24.438 6.577 7.622
50 HZ1 LYS 4 3HZ LYS 4 26.471 4.754 8.667
51 HZ2 LYS 4 1HZ LYS 4 25.371 4.135 7.541
52 HZ3 LYS 4 2HZ LYS 4 24.810 4.817 8.984
53 H ASP 5 H ASP 5 23.285 5.773 5.020
54 HA ASP 5 HA ASP 5 21.296 4.694 5.264
55 HB2 ASP 5 1HB ASP 5 20.078 7.425 4.819
56 HB3 ASP 5 2HB ASP 5 19.336 6.058 5.646
57 H LYS 6 H LYS 6 22.445 4.989 2.576
58 HA LYS 6 HA LYS 6 20.264 5.315 0.741
59 HB2 LYS 6 1HB LYS 6 23.143 4.582 0.547
60 HB3 LYS 6 2HB LYS 6 22.091 4.099 -0.777
61 HG2 LYS 6 1HG LYS 6 22.155 6.924 0.225
62 HG3 LYS 6 2HG LYS 6 23.310 6.332 -0.972
63 HD2 LYS 6 1HD LYS 6 20.329 6.075 -1.306
64 HD3 LYS 6 2HD LYS 6 21.242 7.470 -1.885
65 HE2 LYS 6 1HE LYS 6 21.970 6.355 -3.673
66 HE3 LYS 6 2HE LYS 6 22.471 4.977 -2.694
67 HZ1 LYS 6 3HZ LYS 6 19.910 5.458 -4.049
68 HZ2 LYS 6 1HZ LYS 6 19.929 4.507 -2.650
69 HZ3 LYS 6 2HZ LYS 6 20.849 4.052 -3.994
70 H TRP 7 H TRP 7 21.763 2.655 2.427
71 HA TRP 7 HA TRP 7 20.518 0.611 0.840
72 HB2 TRP 7 2HB TRP 7 21.779 0.370 3.580
73 HB3 TRP 7 3HB TRP 7 21.436 -0.945 2.459
74 HD1 TRP 7 1HD TRP 7 23.985 1.753 3.208
75 HE1 TRP 7 1HE TRP 7 26.014 1.454 1.654
76 HE3 TRP 7 3HE TRP 7 22.076 -1.785 0.050
77 HZ2 TRP 7 2HZ TRP 7 26.714 -0.078 -0.611
78 HZ3 TRP 7 3HZ TRP 7 23.490 -2.615 -1.784
79 HH2 TRP 7 2HH TRP 7 25.760 -1.777 -2.107
80 H ALA 8 H ALA 8 19.715 2.427 3.693
81 HA ALA 8 HA ALA 8 17.707 0.699 4.706
82 HB1 ALA 8 3HB ALA 8 17.675 2.163 6.378
83 HB2 ALA 8 1HB ALA 8 18.906 3.082 5.512
84 HB3 ALA 8 2HB ALA 8 17.199 3.475 5.301
85 H SER 9 H SER 9 17.547 3.616 2.672
86 HA SER 9 HA SER 9 14.809 3.809 2.378
87 HB2 SER 9 1HB SER 9 16.441 5.477 1.531
88 HB3 SER 9 2HB SER 9 16.877 4.362 0.236
89 HG SER 9 HG SER 9 15.003 4.726 -0.738
90 H LEU 10 H LEU 10 17.084 1.975 0.349
91 HA LEU 10 HA LEU 10 15.314 0.948 -1.503
92 HB2 LEU 10 1HB LEU 10 17.889 0.706 -1.265
93 HB3 LEU 10 2HB LEU 10 17.495 -0.761 -0.371
94 HG LEU 10 HG LEU 10 16.375 -0.353 -3.113
95 HD11 LEU 10 1HD1 LEU 10 18.976 0.006 -2.903
96 HD12 LEU 10 2HD1 LEU 10 18.284 -0.953 -4.210
97 HD13 LEU 10 3HD1 LEU 10 18.978 -1.755 -2.802
98 HD21 LEU 10 3HD2 LEU 10 17.257 -2.800 -1.586
99 HD22 LEU 10 1HD2 LEU 10 16.444 -2.776 -3.151
100 HD23 LEU 10 2HD2 LEU 10 15.597 -2.215 -1.709
101 H TRP 11 H TRP 11 16.412 -0.733 1.450
102 HA TRP 11 HA TRP 11 14.642 -2.876 1.293
103 HB2 TRP 11 2HB TRP 11 16.144 -1.583 3.536
104 HB3 TRP 11 3HB TRP 11 14.953 -2.826 3.904
105 HD1 TRP 11 1HD TRP 11 18.482 -2.377 2.756
106 HE1 TRP 11 1HE TRP 11 19.537 -4.668 2.246
107 HE3 TRP 11 3HE TRP 11 14.262 -5.260 2.889
108 HZ2 TRP 11 2HZ TRP 11 18.693 -7.344 1.941
109 HZ3 TRP 11 3HZ TRP 11 14.473 -7.677 2.476
110 HH2 TRP 11 2HH TRP 11 16.642 -8.695 2.011
111 H ASN 12 H ASN 12 14.212 0.337 2.662
112 HA ASN 12 HA ASN 12 11.840 -0.067 4.065
113 HB2 ASN 12 1HB ASN 12 13.456 2.111 3.439
114 HB3 ASN 12 2HB ASN 12 11.903 2.509 2.710
115 HD21 ASN 12 2HD2 ASN 12 13.698 2.766 5.436
116 HD22 ASN 12 1HD2 ASN 12 12.439 3.007 6.595
117 H TRP 13 H TRP 13 12.431 0.185 0.654
118 HA TRP 13 HA TRP 13 9.891 0.897 -0.262
119 HB2 TRP 13 2HB TRP 13 12.009 0.716 -1.629
120 HB3 TRP 13 3HB TRP 13 11.762 -1.028 -1.645
121 HD1 TRP 13 1HD TRP 13 10.183 2.218 -2.975
122 HE1 TRP 13 1HE TRP 13 8.686 1.627 -4.984
123 HE3 TRP 13 3HE TRP 13 10.463 -2.880 -2.722
124 HZ2 TRP 13 2HZ TRP 13 7.748 -0.694 -6.289
125 HZ3 TRP 13 3HZ TRP 13 9.236 -4.213 -4.388
126 HH2 TRP 13 2HH TRP 13 7.907 -3.140 -6.133
127 H PHE 14 H PHE 14 11.015 -2.024 1.159
128 HA PHE 14 HA PHE 14 9.363 -3.955 0.092
129 HB2 PHE 14 2HB PHE 14 11.057 -4.574 1.674
130 HB3 PHE 14 3HB PHE 14 10.319 -3.590 2.933
131 HD1 PHE 14 1HD PHE 14 9.614 -6.507 0.734
132 HD2 PHE 14 2HD PHE 14 8.880 -4.569 4.451
133 HE1 PHE 14 1HE PHE 14 8.324 -8.460 1.494
134 HE2 PHE 14 2HE PHE 14 7.590 -6.518 5.218
135 HZ PHE 14 HZ PHE 14 7.311 -8.467 3.739
136 H ASP 15 H ASP 15 8.667 -2.001 2.994
137 HA ASP 15 HA ASP 15 6.048 -2.865 3.374
138 HB2 ASP 15 1HB ASP 15 7.145 -1.635 5.113
139 HB3 ASP 15 2HB ASP 15 7.376 -0.241 4.062
140 H ILE 16 H ILE 16 7.324 -0.290 1.336
141 HA ILE 16 HA ILE 16 4.816 0.818 0.613
142 HB ILE 16 HB ILE 16 7.522 0.941 -0.707
143 HG12 ILE 16 1HG1 ILE 16 7.161 3.409 0.018
144 HG13 ILE 16 2HG1 ILE 16 5.907 2.755 1.064
145 HG21 ILE 16 1HG2 ILE 16 4.884 1.853 -1.676
146 HG22 ILE 16 2HG2 ILE 16 6.223 2.987 -1.842
147 HG23 ILE 16 3HG2 ILE 16 6.327 1.388 -2.577
148 HD11 ILE 16 3HD1 ILE 16 8.162 3.096 2.115
149 HD12 ILE 16 1HD1 ILE 16 7.467 1.485 2.294
150 HD13 ILE 16 2HD1 ILE 16 8.741 1.768 1.107
151 H THR 17 H THR 17 6.679 -1.880 -0.553
152 HA THR 17 HA THR 17 5.656 -2.230 -3.102
153 HB THR 17 HB THR 17 6.037 -4.634 -1.364
154 HG1 THR 17 1HG THR 17 8.395 -4.219 -1.919
155 HG21 THR 17 3HG2 THR 17 6.565 -3.861 -4.209
156 HG22 THR 17 1HG2 THR 17 5.666 -5.239 -3.577
157 HG23 THR 17 2HG2 THR 17 7.426 -5.216 -3.481
158 H ASN 18 H ASN 18 4.434 -3.735 -0.103
159 HA ASN 18 HA ASN 18 2.044 -4.653 -1.402
160 HB2 ASN 18 1HB ASN 18 3.350 -5.603 0.701
161 HB3 ASN 18 2HB ASN 18 2.260 -4.528 1.573
162 HD21 ASN 18 2HD2 ASN 18 1.030 -6.063 2.535
163 HD22 ASN 18 1HD2 ASN 18 0.006 -7.156 1.675
164 H TRP 19 H TRP 19 3.003 -1.850 0.396
165 HA TRP 19 HA TRP 19 0.597 -0.907 1.374
166 HB2 TRP 19 2HB TRP 19 2.740 0.175 1.848
167 HB3 TRP 19 3HB TRP 19 2.865 0.692 0.169
168 HD1 TRP 19 1HD TRP 19 0.598 1.292 3.252
169 HE1 TRP 19 1HE TRP 19 -0.356 3.677 3.084
170 HE3 TRP 19 3HE TRP 19 2.482 2.600 -1.317
171 HZ2 TRP 19 2HZ TRP 19 -0.316 5.827 1.256
172 HZ3 TRP 19 3HZ TRP 19 1.977 4.838 -2.204
173 HH2 TRP 19 2HH TRP 19 0.607 6.417 -0.943
174 H LEU 20 H LEU 20 1.990 -0.415 -1.859
175 HA LEU 20 HA LEU 20 -0.080 1.188 -2.874
176 HB2 LEU 20 1HB LEU 20 2.228 -0.242 -3.912
177 HB3 LEU 20 2HB LEU 20 0.880 -0.227 -5.046
178 HG LEU 20 HG LEU 20 1.500 2.389 -3.875
179 HD11 LEU 20 1HD1 LEU 20 3.507 2.769 -5.151
180 HD12 LEU 20 2HD1 LEU 20 3.473 1.116 -5.764
181 HD13 LEU 20 3HD1 LEU 20 3.764 1.415 -4.051
182 HD21 LEU 20 3HD2 LEU 20 0.080 2.657 -5.609
183 HD22 LEU 20 1HD2 LEU 20 0.633 1.198 -6.430
184 HD23 LEU 20 2HD2 LEU 20 1.577 2.684 -6.545
185 H TRP 21 H TRP 21 0.194 -2.246 -2.433
186 HA TRP 21 HA TRP 21 -2.030 -2.879 -4.161
187 HB2 TRP 21 2HB TRP 21 0.085 -4.323 -3.003
188 HB3 TRP 21 3HB TRP 21 -1.385 -4.976 -2.284
189 HD1 TRP 21 1HD TRP 21 0.345 -4.559 -5.690
190 HE1 TRP 21 1HE TRP 21 -0.693 -6.240 -7.340
191 HE3 TRP 21 3HE TRP 21 -3.446 -6.339 -2.758
192 HZ2 TRP 21 2HZ TRP 21 -2.834 -8.078 -7.391
193 HZ3 TRP 21 3HZ TRP 21 -4.945 -8.057 -3.683
194 HH2 TRP 21 2HH TRP 21 -4.644 -8.907 -5.952
195 H TYR 22 H TYR 22 -1.503 -2.199 -0.789
196 HA TYR 22 HA TYR 22 -4.052 -3.213 0.079
197 HB2 TYR 22 2HB TYR 22 -2.027 -3.089 1.551
198 HB3 TYR 22 3HB TYR 22 -2.185 -1.336 1.541
199 HD1 TYR 22 2HD TYR 22 -3.788 -4.481 2.624
200 HD2 TYR 22 1HD TYR 22 -3.786 -0.237 2.918
201 HE1 TYR 22 2HE TYR 22 -5.342 -4.617 4.526
202 HE2 TYR 22 1HE TYR 22 -5.340 -0.361 4.821
203 HH TYR 22 HH TYR 22 -6.773 -1.738 5.940
204 H ILE 23 H ILE 23 -2.686 -0.063 -0.730
205 HA ILE 23 HA ILE 23 -4.873 1.506 0.109
206 HB ILE 23 HB ILE 23 -3.957 3.275 -1.294
207 HG12 ILE 23 1HG1 ILE 23 -2.024 1.187 -2.324
208 HG13 ILE 23 2HG1 ILE 23 -3.390 1.821 -3.237
209 HG21 ILE 23 1HG2 ILE 23 -1.412 2.244 -0.349
210 HG22 ILE 23 2HG2 ILE 23 -2.334 3.648 0.188
211 HG23 ILE 23 3HG2 ILE 23 -2.703 2.051 0.836
212 HD11 ILE 23 3HD1 ILE 23 -1.254 3.618 -2.151
213 HD12 ILE 23 1HD1 ILE 23 -1.088 2.799 -3.704
214 HD13 ILE 23 2HD1 ILE 23 -2.416 3.931 -3.441
215 H LYS 24 H LYS 24 -4.311 -0.406 -2.730
216 HA LYS 24 HA LYS 24 -6.316 0.830 -4.354
217 HB2 LYS 24 1HB LYS 24 -4.751 -1.731 -4.540
218 HB3 LYS 24 2HB LYS 24 -6.055 -1.382 -5.667
219 HG2 LYS 24 1HG LYS 24 -4.905 0.681 -6.336
220 HG3 LYS 24 2HG LYS 24 -3.584 0.284 -5.234
221 HD2 LYS 24 1HD LYS 24 -3.266 -1.843 -6.497
222 HD3 LYS 24 2HD LYS 24 -4.472 -1.281 -7.656
223 HE2 LYS 24 1HE LYS 24 -3.107 0.533 -8.331
224 HE3 LYS 24 2HE LYS 24 -2.006 0.302 -6.974
225 HZ1 LYS 24 3HZ LYS 24 -0.903 -0.613 -8.791
226 HZ2 LYS 24 1HZ LYS 24 -2.297 -1.351 -9.405
227 HZ3 LYS 24 2HZ LYS 24 -1.561 -1.963 -8.012
228 H LEU 25 H LEU 25 -6.165 -2.315 -2.676
229 HA LEU 25 HA LEU 25 -8.862 -2.992 -3.150
230 HB2 LEU 25 1HB LEU 25 -8.517 -4.634 -1.302
231 HB3 LEU 25 2HB LEU 25 -7.336 -4.721 -2.606
232 HG LEU 25 HG LEU 25 -6.023 -3.112 -0.886
233 HD11 LEU 25 1HD1 LEU 25 -7.117 -5.079 1.037
234 HD12 LEU 25 2HD1 LEU 25 -8.115 -3.673 0.664
235 HD13 LEU 25 3HD1 LEU 25 -6.488 -3.452 1.306
236 HD21 LEU 25 3HD2 LEU 25 -4.743 -5.076 -0.258
237 HD22 LEU 25 1HD2 LEU 25 -5.188 -5.158 -1.962
238 HD23 LEU 25 2HD2 LEU 25 -6.061 -6.128 -0.777
239 H PHE 26 H PHE 26 -7.252 -1.343 -0.477
240 HA PHE 26 HA PHE 26 -9.282 -1.280 1.390
241 HB2 PHE 26 2HB PHE 26 -7.064 -0.431 1.891
242 HB3 PHE 26 3HB PHE 26 -7.265 0.873 0.725
243 HD1 PHE 26 1HD PHE 26 -8.790 2.736 1.198
244 HD2 PHE 26 2HD PHE 26 -8.013 -0.305 4.072
245 HE1 PHE 26 1HE PHE 26 -9.713 4.176 2.967
246 HE2 PHE 26 2HE PHE 26 -8.935 1.129 5.846
247 HZ PHE 26 HZ PHE 26 -9.787 3.374 5.294
248 H ILE 27 H ILE 27 -8.595 1.315 -0.963
249 HA ILE 27 HA ILE 27 -10.903 2.802 -0.493
250 HB ILE 27 HB ILE 27 -9.365 2.564 -3.082
251 HG12 ILE 27 1HG1 ILE 27 -7.979 3.230 -1.144
252 HG13 ILE 27 2HG1 ILE 27 -8.143 4.529 -2.320
253 HG21 ILE 27 1HG2 ILE 27 -10.363 5.104 -2.968
254 HG22 ILE 27 2HG2 ILE 27 -11.068 3.774 -3.886
255 HG23 ILE 27 3HG2 ILE 27 -11.680 4.156 -2.278
256 HD11 ILE 27 3HD1 ILE 27 -8.632 4.638 0.422
257 HD12 ILE 27 1HD1 ILE 27 -8.976 5.880 -0.782
258 HD13 ILE 27 2HD1 ILE 27 -10.217 4.705 -0.348
259 H MET 28 H MET 28 -10.393 -0.039 -2.457
260 HA MET 28 HA MET 28 -12.770 0.137 -3.990
261 HB2 MET 28 1HB MET 28 -10.819 -1.290 -4.576
262 HB3 MET 28 2HB MET 28 -11.220 -2.343 -3.226
263 HG2 MET 28 1HG MET 28 -13.585 -2.201 -4.609
264 HG3 MET 28 2HG MET 28 -12.374 -2.188 -5.890
265 HE1 MET 28 3HE MET 28 -13.531 -4.407 -2.620
266 HE2 MET 28 1HE MET 28 -14.623 -4.065 -3.962
267 HE3 MET 28 2HE MET 28 -13.989 -5.695 -3.736
268 H ILE 29 H ILE 29 -12.013 -1.197 -0.836
269 HA ILE 29 HA ILE 29 -14.568 -2.497 -0.544
270 HB ILE 29 HB ILE 29 -12.444 -1.922 1.525
271 HG12 ILE 29 1HG1 ILE 29 -12.873 -4.687 0.661
272 HG13 ILE 29 2HG1 ILE 29 -12.302 -3.637 -0.630
273 HG21 ILE 29 1HG2 ILE 29 -13.904 -4.126 2.329
274 HG22 ILE 29 2HG2 ILE 29 -14.020 -2.498 2.991
275 HG23 ILE 29 3HG2 ILE 29 -15.125 -3.012 1.717
276 HD11 ILE 29 3HD1 ILE 29 -10.257 -3.982 0.139
277 HD12 ILE 29 1HD1 ILE 29 -10.697 -3.007 1.542
278 HD13 ILE 29 2HD1 ILE 29 -10.869 -4.762 1.598
279 H VAL 30 H VAL 30 -13.074 0.514 0.497
280 HA VAL 30 HA VAL 30 -15.021 1.334 2.342
281 HB VAL 30 HB VAL 30 -13.391 3.146 0.560
282 HG11 VAL 30 1HG1 VAL 30 -14.849 3.526 3.155
283 HG12 VAL 30 2HG1 VAL 30 -13.538 4.599 2.661
284 HG13 VAL 30 3HG1 VAL 30 -14.986 4.457 1.664
285 HG21 VAL 30 3HG2 VAL 30 -12.549 1.297 2.605
286 HG22 VAL 30 1HG2 VAL 30 -11.576 2.309 1.537
287 HG23 VAL 30 2HG2 VAL 30 -12.172 2.958 3.065
288 H GLY 31 H GLY 31 -14.755 1.879 -1.155
289 HA2 GLY 31 1HA GLY 31 -16.890 3.620 -1.504
290 HA3 GLY 31 2HA GLY 31 -16.334 2.470 -2.712
291 H LYS 32 H LYS 32 -16.911 0.142 -1.052
292 HA LYS 32 HA LYS 32 -19.493 -0.435 -1.924
293 HB2 LYS 32 1HB LYS 32 -17.987 -1.706 0.371
294 HB3 LYS 32 2HB LYS 32 -19.370 -2.404 -0.463
295 HG2 LYS 32 1HG LYS 32 -16.857 -1.687 -1.929
296 HG3 LYS 32 2HG LYS 32 -17.041 -3.233 -1.099
297 HD2 LYS 32 1HD LYS 32 -18.723 -3.945 -2.526
298 HD3 LYS 32 2HD LYS 32 -19.144 -2.301 -3.012
299 HE2 LYS 32 1HE LYS 32 -16.736 -2.279 -4.009
300 HE3 LYS 32 2HE LYS 32 -16.884 -4.034 -3.926
301 HZ1 LYS 32 3HZ LYS 32 -19.009 -2.433 -5.191
302 HZ2 LYS 32 1HZ LYS 32 -18.585 -4.049 -5.460
303 HZ3 LYS 32 2HZ LYS 32 -17.604 -2.807 -6.058
304 H LYS 33 H LYS 33 -18.352 0.867 1.137
305 HA LYS 33 HA LYS 33 -20.989 0.776 2.329
306 HB2 LYS 33 1HB LYS 33 -18.470 2.102 3.348
307 HB3 LYS 33 2HB LYS 33 -19.932 1.790 4.275
308 HG2 LYS 33 1HG LYS 33 -18.733 0.007 4.960
309 HG3 LYS 33 2HG LYS 33 -19.401 -0.704 3.489
310 HD2 LYS 33 1HD LYS 33 -17.364 -0.953 2.631
311 HD3 LYS 33 2HD LYS 33 -17.010 0.760 2.870
312 HE2 LYS 33 1HE LYS 33 -16.938 -0.920 5.292
313 HE3 LYS 33 2HE LYS 33 -15.683 -1.247 4.097
314 HZ1 LYS 33 3HZ LYS 33 -15.828 1.504 4.345
315 HZ2 LYS 33 1HZ LYS 33 -14.595 0.489 4.901
316 HZ3 LYS 33 2HZ LYS 33 -15.877 0.901 5.924
317 H LYS 34 H LYS 34 -18.762 3.225 1.071
318 HA LYS 34 HA LYS 34 -20.190 5.514 1.732
319 HB2 LYS 34 1HB LYS 34 -17.860 5.107 0.503
320 HB3 LYS 34 2HB LYS 34 -18.844 5.409 -0.923
321 HG2 LYS 34 1HG LYS 34 -19.546 7.560 0.048
322 HG3 LYS 34 2HG LYS 34 -18.487 7.258 1.427
323 HD2 LYS 34 1HD LYS 34 -16.557 7.493 0.155
324 HD3 LYS 34 2HD LYS 34 -17.402 7.182 -1.363
325 HE2 LYS 34 1HE LYS 34 -18.685 9.407 -0.546
326 HE3 LYS 34 2HE LYS 34 -17.098 9.686 0.168
327 HZ1 LYS 34 3HZ LYS 34 -17.625 10.447 -2.257
328 HZ2 LYS 34 1HZ LYS 34 -17.246 8.843 -2.636
329 HZ3 LYS 34 2HZ LYS 34 -16.103 9.823 -1.865
330 H LYS 35 H LYS 35 -20.749 3.165 -0.778
331 HA LYS 35 HA LYS 35 -22.651 4.803 -2.201
332 HB2 LYS 35 1HB LYS 35 -21.201 3.025 -3.263
333 HB3 LYS 35 2HB LYS 35 -22.217 1.827 -2.471
334 HG2 LYS 35 1HG LYS 35 -24.025 2.269 -3.814
335 HG3 LYS 35 2HG LYS 35 -23.490 3.912 -4.178
336 HD2 LYS 35 1HD LYS 35 -21.474 2.579 -5.296
337 HD3 LYS 35 2HD LYS 35 -22.718 1.333 -5.428
338 HE2 LYS 35 1HE LYS 35 -24.177 2.904 -6.593
339 HE3 LYS 35 2HE LYS 35 -22.959 4.168 -6.434
340 HZ1 LYS 35 3HZ LYS 35 -22.825 1.703 -8.065
341 HZ2 LYS 35 1HZ LYS 35 -21.447 2.614 -7.700
342 HZ3 LYS 35 2HZ LYS 35 -22.710 3.308 -8.584
343 H LYS 36 H LYS 36 -23.978 5.255 -0.286
344 HA LYS 36 HA LYS 36 -25.554 3.074 0.785
345 HB2 LYS 36 1HB LYS 36 -25.250 5.981 1.369
346 HB3 LYS 36 2HB LYS 36 -26.747 5.196 1.853
347 HG2 LYS 36 1HG LYS 36 -25.777 4.192 3.584
348 HG3 LYS 36 2HG LYS 36 -24.401 3.665 2.612
349 HD2 LYS 36 1HD LYS 36 -23.524 6.021 2.781
350 HD3 LYS 36 2HD LYS 36 -24.793 6.327 3.969
351 HE2 LYS 36 1HE LYS 36 -23.634 3.991 4.862
352 HE3 LYS 36 2HE LYS 36 -22.261 4.913 4.252
353 HZ1 LYS 36 3HZ LYS 36 -23.689 5.273 6.649
354 HZ2 LYS 36 1HZ LYS 36 -23.857 6.667 5.706
355 HZ3 LYS 36 2HZ LYS 36 -22.315 6.097 6.104
Start of MODEL 7
1 H1 LYS 1 H LYS 1 6.955 5.049 1.427
2 HA LYS 1 HA LYS 1 7.797 6.949 0.474
3 HB2 LYS 1 1HB LYS 1 5.526 7.668 1.062
4 HB3 LYS 1 2HB LYS 1 6.093 8.187 2.644
5 HG2 LYS 1 1HG LYS 1 7.737 9.483 0.784
6 HG3 LYS 1 2HG LYS 1 6.092 9.607 0.154
7 HD2 LYS 1 1HD LYS 1 5.350 10.829 1.957
8 HD3 LYS 1 2HD LYS 1 6.576 10.170 3.043
9 HE2 LYS 1 1HE LYS 1 7.971 11.851 2.609
10 HE3 LYS 1 2HE LYS 1 7.777 11.648 0.869
11 HZ1 LYS 1 3HZ LYS 1 6.703 13.646 2.540
12 HZ2 LYS 1 1HZ LYS 1 5.433 12.792 1.818
13 HZ3 LYS 1 2HZ LYS 1 6.619 13.518 0.856
14 H LYS 2 H LYS 2 9.939 6.304 1.368
15 HA LYS 2 HA LYS 2 10.874 8.010 3.555
16 HB2 LYS 2 1HB LYS 2 12.430 5.865 2.112
17 HB3 LYS 2 2HB LYS 2 12.803 6.599 3.666
18 HG2 LYS 2 1HG LYS 2 10.403 4.870 3.105
19 HG3 LYS 2 2HG LYS 2 11.895 4.326 3.874
20 HD2 LYS 2 1HD LYS 2 11.534 5.987 5.669
21 HD3 LYS 2 2HD LYS 2 10.002 6.437 4.913
22 HE2 LYS 2 1HE LYS 2 9.788 3.712 5.113
23 HE3 LYS 2 2HE LYS 2 10.676 4.128 6.577
24 HZ1 LYS 2 3HZ LYS 2 7.934 4.721 5.845
25 HZ2 LYS 2 1HZ LYS 2 8.768 5.986 6.599
26 HZ3 LYS 2 2HZ LYS 2 8.622 4.488 7.372
27 H LYS 3 H LYS 3 13.435 8.479 3.057
28 HA LYS 3 HA LYS 3 13.900 9.421 0.380
29 HB2 LYS 3 1HB LYS 3 12.804 11.206 2.402
30 HB3 LYS 3 2HB LYS 3 14.346 11.781 1.781
31 HG2 LYS 3 1HG LYS 3 13.089 11.109 -0.521
32 HG3 LYS 3 2HG LYS 3 11.725 11.619 0.475
33 HD2 LYS 3 1HD LYS 3 12.813 13.747 0.917
34 HD3 LYS 3 2HD LYS 3 14.229 13.234 -0.003
35 HE2 LYS 3 1HE LYS 3 13.180 14.384 -1.651
36 HE3 LYS 3 2HE LYS 3 12.352 12.842 -1.863
37 HZ1 LYS 3 3HZ LYS 3 11.359 15.237 -0.426
38 HZ2 LYS 3 1HZ LYS 3 10.609 13.723 -0.330
39 HZ3 LYS 3 2HZ LYS 3 10.710 14.524 -1.816
40 H LYS 4 H LYS 4 14.979 10.401 3.636
41 HA LYS 4 HA LYS 4 17.691 10.573 3.000
42 HB2 LYS 4 1HB LYS 4 16.148 10.300 5.543
43 HB3 LYS 4 2HB LYS 4 17.895 10.104 5.594
44 HG2 LYS 4 1HG LYS 4 18.089 12.303 5.718
45 HG3 LYS 4 2HG LYS 4 17.423 12.420 4.088
46 HD2 LYS 4 1HD LYS 4 15.210 12.676 4.921
47 HD3 LYS 4 2HD LYS 4 15.708 12.244 6.558
48 HE2 LYS 4 1HE LYS 4 16.680 14.292 6.946
49 HE3 LYS 4 2HE LYS 4 16.984 14.591 5.235
50 HZ1 LYS 4 3HZ LYS 4 14.312 14.652 6.532
51 HZ2 LYS 4 1HZ LYS 4 14.639 14.996 4.908
52 HZ3 LYS 4 2HZ LYS 4 15.228 16.014 6.123
53 H ASP 5 H ASP 5 19.443 9.188 3.345
54 HA ASP 5 HA ASP 5 20.565 7.211 3.290
55 HB2 ASP 5 1HB ASP 5 18.310 6.003 4.881
56 HB3 ASP 5 2HB ASP 5 20.017 5.574 4.907
57 H LYS 6 H LYS 6 20.451 6.688 1.149
58 HA LYS 6 HA LYS 6 18.164 5.657 -0.146
59 HB2 LYS 6 1HB LYS 6 20.799 6.401 -0.868
60 HB3 LYS 6 2HB LYS 6 20.565 4.750 -1.425
61 HG2 LYS 6 1HG LYS 6 19.897 6.064 -3.224
62 HG3 LYS 6 2HG LYS 6 18.382 5.595 -2.449
63 HD2 LYS 6 1HD LYS 6 18.060 7.857 -2.801
64 HD3 LYS 6 2HD LYS 6 18.670 7.829 -1.145
65 HE2 LYS 6 1HE LYS 6 20.301 9.204 -1.761
66 HE3 LYS 6 2HE LYS 6 20.922 7.944 -2.827
67 HZ1 LYS 6 3HZ LYS 6 20.335 10.216 -3.823
68 HZ2 LYS 6 1HZ LYS 6 18.726 9.706 -3.706
69 HZ3 LYS 6 2HZ LYS 6 19.825 8.829 -4.646
70 H TRP 7 H TRP 7 20.993 4.093 1.299
71 HA TRP 7 HA TRP 7 20.397 1.462 0.532
72 HB2 TRP 7 2HB TRP 7 21.817 2.349 3.051
73 HB3 TRP 7 3HB TRP 7 21.937 0.771 2.277
74 HD1 TRP 7 1HD TRP 7 23.357 0.636 -0.016
75 HE1 TRP 7 1HE TRP 7 25.223 2.149 -0.943
76 HE3 TRP 7 3HE TRP 7 22.618 4.743 2.939
77 HZ2 TRP 7 2HZ TRP 7 26.247 4.738 -0.481
78 HZ3 TRP 7 3HZ TRP 7 24.084 6.695 2.633
79 HH2 TRP 7 2HH TRP 7 25.860 6.690 0.958
80 H ALA 8 H ALA 8 19.203 3.449 3.146
81 HA ALA 8 HA ALA 8 17.918 1.255 4.511
82 HB1 ALA 8 3HB ALA 8 17.564 2.703 6.201
83 HB2 ALA 8 1HB ALA 8 18.777 3.665 5.357
84 HB3 ALA 8 2HB ALA 8 17.063 4.006 5.123
85 H SER 9 H SER 9 16.923 3.948 2.437
86 HA SER 9 HA SER 9 14.153 3.525 2.589
87 HB2 SER 9 1HB SER 9 14.953 5.596 1.689
88 HB3 SER 9 2HB SER 9 15.871 4.766 0.433
89 HG SER 9 HG SER 9 14.057 5.370 -0.588
90 H LEU 10 H LEU 10 16.647 1.980 0.704
91 HA LEU 10 HA LEU 10 15.005 0.757 -1.237
92 HB2 LEU 10 1HB LEU 10 17.670 0.952 -0.852
93 HB3 LEU 10 2HB LEU 10 17.399 -0.713 -0.342
94 HG LEU 10 HG LEU 10 16.151 -0.051 -2.904
95 HD11 LEU 10 1HD1 LEU 10 17.858 1.068 -3.794
96 HD12 LEU 10 2HD1 LEU 10 18.753 -0.449 -3.721
97 HD13 LEU 10 3HD1 LEU 10 18.906 0.729 -2.417
98 HD21 LEU 10 3HD2 LEU 10 17.444 -2.160 -3.499
99 HD22 LEU 10 1HD2 LEU 10 16.203 -2.309 -2.255
100 HD23 LEU 10 2HD2 LEU 10 17.905 -2.226 -1.797
101 H TRP 11 H TRP 11 16.318 -0.480 1.831
102 HA TRP 11 HA TRP 11 14.974 -2.978 1.660
103 HB2 TRP 11 2HB TRP 11 16.412 -1.507 3.846
104 HB3 TRP 11 3HB TRP 11 15.505 -2.972 4.213
105 HD1 TRP 11 1HD TRP 11 18.314 -1.890 1.752
106 HE1 TRP 11 1HE TRP 11 19.927 -3.878 1.478
107 HE3 TRP 11 3HE TRP 11 15.876 -5.321 4.656
108 HZ2 TRP 11 2HZ TRP 11 20.136 -6.547 2.373
109 HZ3 TRP 11 3HZ TRP 11 16.848 -7.568 4.894
110 HH2 TRP 11 2HH TRP 11 18.934 -8.167 3.775
111 H ASN 12 H ASN 12 14.112 0.162 2.889
112 HA ASN 12 HA ASN 12 11.883 -0.725 4.449
113 HB2 ASN 12 1HB ASN 12 13.284 1.698 4.076
114 HB3 ASN 12 2HB ASN 12 11.616 2.013 3.604
115 HD21 ASN 12 2HD2 ASN 12 10.177 0.482 5.276
116 HD22 ASN 12 1HD2 ASN 12 10.429 0.965 6.915
117 H TRP 13 H TRP 13 12.407 0.091 1.124
118 HA TRP 13 HA TRP 13 9.812 0.747 0.326
119 HB2 TRP 13 2HB TRP 13 11.922 0.926 -1.054
120 HB3 TRP 13 3HB TRP 13 11.802 -0.809 -1.333
121 HD1 TRP 13 1HD TRP 13 9.978 2.476 -2.160
122 HE1 TRP 13 1HE TRP 13 8.505 2.084 -4.234
123 HE3 TRP 13 3HE TRP 13 10.626 -2.569 -2.674
124 HZ2 TRP 13 2HZ TRP 13 7.721 -0.077 -5.871
125 HZ3 TRP 13 3HZ TRP 13 9.479 -3.724 -4.520
126 HH2 TRP 13 2HH TRP 13 8.057 -2.501 -6.084
127 H PHE 14 H PHE 14 11.160 -2.265 1.291
128 HA PHE 14 HA PHE 14 9.638 -4.129 -0.054
129 HB2 PHE 14 2HB PHE 14 11.391 -4.854 1.414
130 HB3 PHE 14 3HB PHE 14 10.599 -4.127 2.809
131 HD1 PHE 14 1HD PHE 14 10.002 -6.689 0.170
132 HD2 PHE 14 2HD PHE 14 9.329 -5.460 4.190
133 HE1 PHE 14 1HE PHE 14 8.865 -8.822 0.628
134 HE2 PHE 14 2HE PHE 14 8.191 -7.591 4.654
135 HZ PHE 14 HZ PHE 14 7.959 -9.276 2.873
136 H ASP 15 H ASP 15 8.838 -2.689 3.110
137 HA ASP 15 HA ASP 15 6.292 -3.789 3.358
138 HB2 ASP 15 1HB ASP 15 7.599 -2.583 5.146
139 HB3 ASP 15 2HB ASP 15 7.118 -1.069 4.384
140 H ILE 16 H ILE 16 7.356 -0.852 1.729
141 HA ILE 16 HA ILE 16 4.766 0.166 1.182
142 HB ILE 16 HB ILE 16 7.441 0.684 -0.106
143 HG12 ILE 16 1HG1 ILE 16 6.911 2.981 0.982
144 HG13 ILE 16 2HG1 ILE 16 5.719 2.088 1.920
145 HG21 ILE 16 1HG2 ILE 16 6.194 1.314 -1.887
146 HG22 ILE 16 2HG2 ILE 16 4.733 1.535 -0.926
147 HG23 ILE 16 3HG2 ILE 16 5.986 2.776 -0.922
148 HD11 ILE 16 3HD1 ILE 16 8.617 1.315 1.810
149 HD12 ILE 16 1HD1 ILE 16 7.959 2.431 3.006
150 HD13 ILE 16 2HD1 ILE 16 7.382 0.765 2.942
151 H THR 17 H THR 17 6.805 -2.184 -0.377
152 HA THR 17 HA THR 17 5.781 -2.221 -2.949
153 HB THR 17 HB THR 17 6.354 -4.824 -1.593
154 HG1 THR 17 1HG THR 17 8.671 -4.152 -2.089
155 HG21 THR 17 3HG2 THR 17 6.002 -5.116 -3.871
156 HG22 THR 17 1HG2 THR 17 7.757 -4.980 -3.773
157 HG23 THR 17 2HG2 THR 17 6.792 -3.597 -4.290
158 H ASN 18 H ASN 18 4.580 -3.911 -0.065
159 HA ASN 18 HA ASN 18 2.318 -4.990 -1.504
160 HB2 ASN 18 1HB ASN 18 3.584 -5.407 1.087
161 HB3 ASN 18 2HB ASN 18 1.828 -5.352 1.207
162 HD21 ASN 18 2HD2 ASN 18 3.847 -7.549 1.442
163 HD22 ASN 18 1HD2 ASN 18 3.278 -8.779 0.371
164 H TRP 19 H TRP 19 3.009 -2.297 0.602
165 HA TRP 19 HA TRP 19 0.458 -1.602 1.448
166 HB2 TRP 19 2HB TRP 19 2.567 -0.525 2.213
167 HB3 TRP 19 3HB TRP 19 2.671 0.308 0.665
168 HD1 TRP 19 1HD TRP 19 0.040 0.015 3.519
169 HE1 TRP 19 1HE TRP 19 -1.016 2.338 3.852
170 HE3 TRP 19 3HE TRP 19 2.517 2.566 -0.154
171 HZ2 TRP 19 2HZ TRP 19 -0.825 4.911 2.708
172 HZ3 TRP 19 3HZ TRP 19 2.022 4.956 -0.469
173 HH2 TRP 19 2HH TRP 19 0.385 6.102 0.933
174 H LEU 20 H LEU 20 2.084 -0.912 -1.608
175 HA LEU 20 HA LEU 20 0.181 0.870 -2.657
176 HB2 LEU 20 1HB LEU 20 2.506 -0.550 -3.584
177 HB3 LEU 20 2HB LEU 20 1.238 -0.583 -4.808
178 HG LEU 20 HG LEU 20 1.247 2.050 -4.121
179 HD11 LEU 20 1HD1 LEU 20 4.157 1.405 -4.269
180 HD12 LEU 20 2HD1 LEU 20 3.333 1.391 -2.710
181 HD13 LEU 20 3HD1 LEU 20 3.356 2.862 -3.682
182 HD21 LEU 20 3HD2 LEU 20 3.200 1.164 -6.177
183 HD22 LEU 20 1HD2 LEU 20 1.933 2.388 -6.268
184 HD23 LEU 20 2HD2 LEU 20 1.514 0.678 -6.366
185 H TRP 21 H TRP 21 0.261 -2.607 -2.447
186 HA TRP 21 HA TRP 21 -1.911 -2.987 -4.311
187 HB2 TRP 21 2HB TRP 21 0.075 -4.626 -3.177
188 HB3 TRP 21 3HB TRP 21 -1.460 -5.254 -2.582
189 HD1 TRP 21 1HD TRP 21 0.598 -4.892 -5.763
190 HE1 TRP 21 1HE TRP 21 -0.490 -6.294 -7.625
191 HE3 TRP 21 3HE TRP 21 -3.755 -6.149 -3.394
192 HZ2 TRP 21 2HZ TRP 21 -2.878 -7.742 -8.037
193 HZ3 TRP 21 3HZ TRP 21 -5.389 -7.545 -4.593
194 HH2 TRP 21 2HH TRP 21 -4.957 -8.324 -6.866
195 H TYR 22 H TYR 22 -1.512 -2.566 -0.885
196 HA TYR 22 HA TYR 22 -4.143 -3.516 -0.204
197 HB2 TYR 22 2HB TYR 22 -2.247 -3.652 1.383
198 HB3 TYR 22 3HB TYR 22 -2.194 -1.893 1.447
199 HD1 TYR 22 1HD TYR 22 -4.410 -4.801 2.139
200 HD2 TYR 22 2HD TYR 22 -3.519 -0.726 2.981
201 HE1 TYR 22 1HE TYR 22 -6.057 -4.825 3.965
202 HE2 TYR 22 2HE TYR 22 -5.163 -0.740 4.811
203 HH TYR 22 HH TYR 22 -7.410 -2.302 5.253
204 H ILE 23 H ILE 23 -2.587 -0.392 -0.708
205 HA ILE 23 HA ILE 23 -4.706 1.237 0.167
206 HB ILE 23 HB ILE 23 -3.668 3.030 -1.138
207 HG12 ILE 23 1HG1 ILE 23 -1.762 0.917 -2.163
208 HG13 ILE 23 2HG1 ILE 23 -3.089 1.589 -3.107
209 HG21 ILE 23 1HG2 ILE 23 -2.231 3.226 0.541
210 HG22 ILE 23 2HG2 ILE 23 -2.468 1.521 0.921
211 HG23 ILE 23 3HG2 ILE 23 -1.182 2.008 -0.183
212 HD11 ILE 23 3HD1 ILE 23 -0.845 2.575 -3.568
213 HD12 ILE 23 1HD1 ILE 23 -2.090 3.740 -3.123
214 HD13 ILE 23 2HD1 ILE 23 -0.876 3.252 -1.940
215 H LYS 24 H LYS 24 -4.204 -0.540 -2.764
216 HA LYS 24 HA LYS 24 -6.095 0.910 -4.351
217 HB2 LYS 24 1HB LYS 24 -4.681 -1.727 -4.660
218 HB3 LYS 24 2HB LYS 24 -5.938 -1.234 -5.787
219 HG2 LYS 24 1HG LYS 24 -4.664 0.764 -6.353
220 HG3 LYS 24 2HG LYS 24 -3.409 0.294 -5.204
221 HD2 LYS 24 1HD LYS 24 -3.606 -1.957 -6.708
222 HD3 LYS 24 2HD LYS 24 -3.978 -0.717 -7.907
223 HE2 LYS 24 1HE LYS 24 -1.790 0.249 -6.439
224 HE3 LYS 24 2HE LYS 24 -1.446 -1.449 -6.763
225 HZ1 LYS 24 3HZ LYS 24 -1.855 -1.037 -9.115
226 HZ2 LYS 24 1HZ LYS 24 -0.617 -0.041 -8.532
227 HZ3 LYS 24 2HZ LYS 24 -2.162 0.595 -8.796
228 H LEU 25 H LEU 25 -6.169 -2.367 -2.934
229 HA LEU 25 HA LEU 25 -8.889 -2.833 -3.469
230 HB2 LEU 25 1HB LEU 25 -8.674 -4.602 -1.707
231 HB3 LEU 25 2HB LEU 25 -7.503 -4.693 -3.021
232 HG LEU 25 HG LEU 25 -6.093 -3.273 -1.202
233 HD11 LEU 25 1HD1 LEU 25 -8.298 -4.133 0.260
234 HD12 LEU 25 2HD1 LEU 25 -6.776 -3.512 0.898
235 HD13 LEU 25 3HD1 LEU 25 -7.002 -5.249 0.694
236 HD21 LEU 25 3HD2 LEU 25 -4.895 -5.313 -0.763
237 HD22 LEU 25 1HD2 LEU 25 -5.417 -5.307 -2.447
238 HD23 LEU 25 2HD2 LEU 25 -6.282 -6.283 -1.260
239 H PHE 26 H PHE 26 -7.237 -1.467 -0.665
240 HA PHE 26 HA PHE 26 -9.300 -1.405 1.168
241 HB2 PHE 26 2HB PHE 26 -7.060 -0.732 1.783
242 HB3 PHE 26 3HB PHE 26 -7.126 0.640 0.682
243 HD1 PHE 26 2HD PHE 26 -9.407 -0.683 3.325
244 HD2 PHE 26 1HD PHE 26 -7.186 2.623 1.822
245 HE1 PHE 26 2HE PHE 26 -10.281 0.726 5.142
246 HE2 PHE 26 1HE PHE 26 -8.056 4.037 3.638
247 HZ PHE 26 HZ PHE 26 -9.606 3.089 5.301
248 H ILE 27 H ILE 27 -8.397 1.318 -0.957
249 HA ILE 27 HA ILE 27 -10.638 2.890 -0.436
250 HB ILE 27 HB ILE 27 -9.025 2.779 -2.987
251 HG12 ILE 27 1HG1 ILE 27 -7.659 3.203 -0.979
252 HG13 ILE 27 2HG1 ILE 27 -7.741 4.621 -2.018
253 HG21 ILE 27 1HG2 ILE 27 -9.845 5.327 -2.808
254 HG22 ILE 27 2HG2 ILE 27 -10.732 4.083 -3.687
255 HG23 ILE 27 3HG2 ILE 27 -11.217 4.519 -2.049
256 HD11 ILE 27 3HD1 ILE 27 -9.385 5.627 -0.554
257 HD12 ILE 27 1HD1 ILE 27 -9.378 4.190 0.468
258 HD13 ILE 27 2HD1 ILE 27 -7.933 5.193 0.347
259 H MET 28 H MET 28 -10.241 0.147 -2.533
260 HA MET 28 HA MET 28 -12.546 0.596 -4.143
261 HB2 MET 28 1HB MET 28 -10.589 -0.903 -4.711
262 HB3 MET 28 2HB MET 28 -11.243 -2.064 -3.563
263 HG2 MET 28 1HG MET 28 -13.426 -1.662 -5.045
264 HG3 MET 28 2HG MET 28 -12.193 -1.312 -6.254
265 HE1 MET 28 3HE MET 28 -13.361 -3.462 -3.542
266 HE2 MET 28 1HE MET 28 -13.865 -4.848 -4.509
267 HE3 MET 28 2HE MET 28 -12.350 -4.905 -3.609
268 H ILE 29 H ILE 29 -11.942 -1.089 -1.118
269 HA ILE 29 HA ILE 29 -14.573 -2.248 -0.996
270 HB ILE 29 HB ILE 29 -12.476 -1.986 1.163
271 HG12 ILE 29 1HG1 ILE 29 -13.033 -4.632 0.037
272 HG13 ILE 29 2HG1 ILE 29 -12.370 -3.501 -1.139
273 HG21 ILE 29 1HG2 ILE 29 -14.976 -3.668 1.047
274 HG22 ILE 29 2HG2 ILE 29 -13.743 -3.753 2.304
275 HG23 ILE 29 3HG2 ILE 29 -14.695 -2.283 2.102
276 HD11 ILE 29 3HD1 ILE 29 -10.591 -3.030 0.663
277 HD12 ILE 29 1HD1 ILE 29 -11.141 -4.548 1.372
278 HD13 ILE 29 2HD1 ILE 29 -10.493 -4.524 -0.269
279 H VAL 30 H VAL 30 -12.920 0.518 0.453
280 HA VAL 30 HA VAL 30 -14.842 1.294 2.303
281 HB VAL 30 HB VAL 30 -13.112 3.149 0.663
282 HG11 VAL 30 1HG1 VAL 30 -14.767 4.399 1.832
283 HG12 VAL 30 2HG1 VAL 30 -14.518 3.466 3.308
284 HG13 VAL 30 3HG1 VAL 30 -13.260 4.561 2.734
285 HG21 VAL 30 3HG2 VAL 30 -12.381 1.127 2.544
286 HG22 VAL 30 1HG2 VAL 30 -11.346 2.257 1.671
287 HG23 VAL 30 2HG2 VAL 30 -12.028 2.711 3.233
288 H GLY 31 H GLY 31 -14.552 2.148 -1.132
289 HA2 GLY 31 1HA GLY 31 -16.630 3.982 -1.312
290 HA3 GLY 31 2HA GLY 31 -16.109 2.935 -2.624
291 H LYS 32 H LYS 32 -16.773 0.514 -1.022
292 HA LYS 32 HA LYS 32 -19.363 0.077 -2.004
293 HB2 LYS 32 1HB LYS 32 -17.982 -1.423 0.228
294 HB3 LYS 32 2HB LYS 32 -19.306 -2.013 -0.767
295 HG2 LYS 32 1HG LYS 32 -16.564 -1.309 -1.791
296 HG3 LYS 32 2HG LYS 32 -17.123 -2.941 -1.418
297 HD2 LYS 32 1HD LYS 32 -18.930 -1.481 -3.182
298 HD3 LYS 32 2HD LYS 32 -17.313 -1.688 -3.861
299 HE2 LYS 32 1HE LYS 32 -17.739 -4.165 -2.898
300 HE3 LYS 32 2HE LYS 32 -19.398 -3.691 -3.258
301 HZ1 LYS 32 3HZ LYS 32 -18.346 -4.796 -5.138
302 HZ2 LYS 32 1HZ LYS 32 -17.135 -3.616 -5.180
303 HZ3 LYS 32 2HZ LYS 32 -18.737 -3.194 -5.521
304 H LYS 33 H LYS 33 -18.203 1.152 1.131
305 HA LYS 33 HA LYS 33 -20.865 1.062 2.288
306 HB2 LYS 33 1HB LYS 33 -18.267 2.103 3.436
307 HB3 LYS 33 2HB LYS 33 -19.772 1.898 4.325
308 HG2 LYS 33 1HG LYS 33 -18.805 -0.045 4.921
309 HG3 LYS 33 2HG LYS 33 -19.480 -0.591 3.384
310 HD2 LYS 33 1HD LYS 33 -17.398 -0.326 2.276
311 HD3 LYS 33 2HD LYS 33 -16.708 0.558 3.640
312 HE2 LYS 33 1HE LYS 33 -17.706 -2.101 4.335
313 HE3 LYS 33 2HE LYS 33 -16.399 -2.121 3.152
314 HZ1 LYS 33 3HZ LYS 33 -16.098 -1.925 5.843
315 HZ2 LYS 33 1HZ LYS 33 -15.903 -0.325 5.330
316 HZ3 LYS 33 2HZ LYS 33 -14.920 -1.544 4.691
317 H LYS 34 H LYS 34 -18.465 3.500 1.354
318 HA LYS 34 HA LYS 34 -19.853 5.778 2.162
319 HB2 LYS 34 1HB LYS 34 -17.501 5.208 0.722
320 HB3 LYS 34 2HB LYS 34 -18.456 6.261 -0.313
321 HG2 LYS 34 1HG LYS 34 -18.163 8.049 1.013
322 HG3 LYS 34 2HG LYS 34 -18.286 7.100 2.497
323 HD2 LYS 34 1HD LYS 34 -16.031 6.476 2.420
324 HD3 LYS 34 2HD LYS 34 -15.875 6.914 0.718
325 HE2 LYS 34 1HE LYS 34 -16.321 9.302 1.437
326 HE3 LYS 34 2HE LYS 34 -16.109 8.743 3.095
327 HZ1 LYS 34 3HZ LYS 34 -14.090 9.702 1.941
328 HZ2 LYS 34 1HZ LYS 34 -14.056 8.287 1.015
329 HZ3 LYS 34 2HZ LYS 34 -13.882 8.203 2.695
330 H LYS 35 H LYS 35 -20.100 3.878 -0.794
331 HA LYS 35 HA LYS 35 -21.793 5.660 -2.198
332 HB2 LYS 35 1HB LYS 35 -21.111 2.753 -2.463
333 HB3 LYS 35 2HB LYS 35 -22.415 3.436 -3.425
334 HG2 LYS 35 1HG LYS 35 -19.877 4.930 -3.455
335 HG3 LYS 35 2HG LYS 35 -19.858 3.343 -4.228
336 HD2 LYS 35 1HD LYS 35 -21.253 3.991 -5.899
337 HD3 LYS 35 2HD LYS 35 -22.153 5.100 -4.861
338 HE2 LYS 35 1HE LYS 35 -20.941 6.833 -5.551
339 HE3 LYS 35 2HE LYS 35 -19.435 5.992 -5.190
340 HZ1 LYS 35 3HZ LYS 35 -19.240 5.232 -7.318
341 HZ2 LYS 35 1HZ LYS 35 -20.033 6.696 -7.620
342 HZ3 LYS 35 2HZ LYS 35 -20.906 5.248 -7.614
343 H LYS 36 H LYS 36 -23.438 6.324 -0.806
344 HA LYS 36 HA LYS 36 -25.449 4.258 -0.188
345 HB2 LYS 36 1HB LYS 36 -26.126 5.573 1.742
346 HB3 LYS 36 2HB LYS 36 -24.411 5.195 1.842
347 HG2 LYS 36 1HG LYS 36 -24.298 7.583 0.602
348 HG3 LYS 36 2HG LYS 36 -25.766 7.790 1.559
349 HD2 LYS 36 1HD LYS 36 -24.647 7.613 3.560
350 HD3 LYS 36 2HD LYS 36 -23.342 6.648 2.866
351 HE2 LYS 36 1HE LYS 36 -22.413 8.582 1.787
352 HE3 LYS 36 2HE LYS 36 -23.793 9.568 2.267
353 HZ1 LYS 36 3HZ LYS 36 -23.148 9.223 4.592
354 HZ2 LYS 36 1HZ LYS 36 -21.930 9.996 3.707
355 HZ3 LYS 36 2HZ LYS 36 -21.786 8.355 4.089
Start of MODEL 8
1 H1 LYS 1 H LYS 1 16.873 13.221 -3.826
2 HA LYS 1 HA LYS 1 19.277 14.742 -3.056
3 HB2 LYS 1 1HB LYS 1 17.267 13.345 -1.287
4 HB3 LYS 1 2HB LYS 1 18.828 13.920 -0.718
5 HG2 LYS 1 1HG LYS 1 16.922 15.783 -2.075
6 HG3 LYS 1 2HG LYS 1 16.746 15.392 -0.363
7 HD2 LYS 1 1HD LYS 1 19.080 16.123 0.006
8 HD3 LYS 1 2HD LYS 1 19.173 16.594 -1.693
9 HE2 LYS 1 1HE LYS 1 16.853 17.804 -0.724
10 HE3 LYS 1 2HE LYS 1 18.047 18.014 0.556
11 HZ1 LYS 1 3HZ LYS 1 18.141 19.850 -0.981
12 HZ2 LYS 1 1HZ LYS 1 18.373 18.801 -2.289
13 HZ3 LYS 1 2HZ LYS 1 19.567 18.948 -1.100
14 H LYS 2 H LYS 2 20.964 13.472 -2.008
15 HA LYS 2 HA LYS 2 21.086 10.762 -3.132
16 HB2 LYS 2 1HB LYS 2 23.393 12.376 -2.050
17 HB3 LYS 2 2HB LYS 2 23.465 10.947 -3.074
18 HG2 LYS 2 1HG LYS 2 22.352 13.617 -3.910
19 HG3 LYS 2 2HG LYS 2 23.970 13.023 -4.288
20 HD2 LYS 2 1HD LYS 2 22.728 10.988 -5.295
21 HD3 LYS 2 2HD LYS 2 21.316 12.047 -5.282
22 HE2 LYS 2 1HE LYS 2 22.069 12.630 -7.326
23 HE3 LYS 2 2HE LYS 2 23.131 13.692 -6.402
24 HZ1 LYS 2 3HZ LYS 2 24.220 11.069 -6.667
25 HZ2 LYS 2 1HZ LYS 2 24.906 12.563 -7.068
26 HZ3 LYS 2 2HZ LYS 2 23.911 11.765 -8.178
27 H LYS 3 H LYS 3 20.509 9.236 -1.734
28 HA LYS 3 HA LYS 3 20.770 9.602 1.113
29 HB2 LYS 3 1HB LYS 3 19.683 7.428 -0.651
30 HB3 LYS 3 2HB LYS 3 19.945 7.134 1.064
31 HG2 LYS 3 1HG LYS 3 18.409 9.551 0.279
32 HG3 LYS 3 2HG LYS 3 17.628 7.975 0.135
33 HD2 LYS 3 1HD LYS 3 18.516 7.625 2.562
34 HD3 LYS 3 2HD LYS 3 18.619 9.387 2.578
35 HE2 LYS 3 1HE LYS 3 16.095 8.411 1.508
36 HE3 LYS 3 2HE LYS 3 16.385 7.877 3.163
37 HZ1 LYS 3 3HZ LYS 3 15.236 10.137 2.726
38 HZ2 LYS 3 1HZ LYS 3 16.808 10.699 2.452
39 HZ3 LYS 3 2HZ LYS 3 16.401 10.022 3.948
40 H LYS 4 H LYS 4 22.351 8.882 2.399
41 HA LYS 4 HA LYS 4 24.815 8.048 1.432
42 HB2 LYS 4 1HB LYS 4 23.579 7.722 4.167
43 HB3 LYS 4 2HB LYS 4 25.260 7.341 3.816
44 HG2 LYS 4 1HG LYS 4 25.454 9.739 2.977
45 HG3 LYS 4 2HG LYS 4 23.903 10.014 3.775
46 HD2 LYS 4 1HD LYS 4 24.850 9.307 5.901
47 HD3 LYS 4 2HD LYS 4 26.391 8.954 5.116
48 HE2 LYS 4 1HE LYS 4 25.633 11.618 4.462
49 HE3 LYS 4 2HE LYS 4 25.478 11.411 6.205
50 HZ1 LYS 4 3HZ LYS 4 27.897 10.914 4.559
51 HZ2 LYS 4 1HZ LYS 4 27.768 10.503 6.196
52 HZ3 LYS 4 2HZ LYS 4 27.685 12.124 5.721
53 H ASP 5 H ASP 5 22.689 5.988 3.419
54 HA ASP 5 HA ASP 5 23.938 3.607 2.393
55 HB2 ASP 5 1HB ASP 5 21.672 4.090 4.322
56 HB3 ASP 5 2HB ASP 5 22.153 2.472 3.821
57 H LYS 6 H LYS 6 23.396 2.637 0.566
58 HA LYS 6 HA LYS 6 20.993 3.356 -0.848
59 HB2 LYS 6 1HB LYS 6 23.382 1.655 -1.424
60 HB3 LYS 6 2HB LYS 6 21.933 1.436 -2.395
61 HG2 LYS 6 1HG LYS 6 23.032 4.179 -2.014
62 HG3 LYS 6 2HG LYS 6 23.805 3.080 -3.158
63 HD2 LYS 6 1HD LYS 6 20.843 3.547 -3.216
64 HD3 LYS 6 2HD LYS 6 21.957 4.655 -4.021
65 HE2 LYS 6 1HE LYS 6 22.908 2.370 -4.991
66 HE3 LYS 6 2HE LYS 6 21.255 1.844 -4.673
67 HZ1 LYS 6 3HZ LYS 6 21.069 4.309 -5.918
68 HZ2 LYS 6 1HZ LYS 6 20.682 2.797 -6.572
69 HZ3 LYS 6 2HZ LYS 6 22.231 3.442 -6.790
70 H TRP 7 H TRP 7 22.162 0.611 0.997
71 HA TRP 7 HA TRP 7 19.983 -1.109 0.270
72 HB2 TRP 7 2HB TRP 7 20.880 -2.620 1.978
73 HB3 TRP 7 3HB TRP 7 22.167 -2.022 0.934
74 HD1 TRP 7 1HD TRP 7 23.901 -0.256 2.019
75 HE1 TRP 7 1HE TRP 7 24.567 0.173 4.468
76 HE3 TRP 7 3HE TRP 7 19.999 -2.602 4.343
77 HZ2 TRP 7 2HZ TRP 7 23.570 -0.408 7.045
78 HZ3 TRP 7 3HZ TRP 7 19.929 -2.619 6.802
79 HH2 TRP 7 2HH TRP 7 21.679 -1.545 8.124
80 H ALA 8 H ALA 8 20.565 1.288 2.700
81 HA ALA 8 HA ALA 8 18.694 0.488 4.636
82 HB1 ALA 8 3HB ALA 8 18.698 2.936 5.263
83 HB2 ALA 8 1HB ALA 8 20.271 2.140 5.243
84 HB3 ALA 8 2HB ALA 8 19.797 3.190 3.908
85 H SER 9 H SER 9 18.351 2.879 2.009
86 HA SER 9 HA SER 9 15.664 3.477 2.414
87 HB2 SER 9 1HB SER 9 17.230 4.717 0.902
88 HB3 SER 9 2HB SER 9 17.076 3.402 -0.262
89 HG SER 9 HG SER 9 15.009 5.095 0.694
90 H LEU 10 H LEU 10 17.160 0.892 0.535
91 HA LEU 10 HA LEU 10 14.975 -0.086 -0.836
92 HB2 LEU 10 1HB LEU 10 17.514 -0.846 -0.649
93 HB3 LEU 10 2HB LEU 10 16.808 -2.057 0.419
94 HG LEU 10 HG LEU 10 15.603 -1.700 -2.277
95 HD11 LEU 10 1HD1 LEU 10 17.931 -1.707 -2.846
96 HD12 LEU 10 2HD1 LEU 10 17.260 -3.298 -3.206
97 HD13 LEU 10 3HD1 LEU 10 18.240 -3.061 -1.759
98 HD21 LEU 10 3HD2 LEU 10 16.259 -4.266 -0.891
99 HD22 LEU 10 1HD2 LEU 10 14.947 -3.900 -2.011
100 HD23 LEU 10 2HD2 LEU 10 14.887 -3.293 -0.356
101 H TRP 11 H TRP 11 16.100 -1.139 2.380
102 HA TRP 11 HA TRP 11 14.094 -2.943 2.960
103 HB2 TRP 11 2HB TRP 11 15.821 -1.179 4.653
104 HB3 TRP 11 3HB TRP 11 14.524 -2.097 5.414
105 HD1 TRP 11 1HD TRP 11 18.054 -2.397 4.770
106 HE1 TRP 11 1HE TRP 11 18.830 -4.852 4.778
107 HE3 TRP 11 3HE TRP 11 13.501 -4.691 4.386
108 HZ2 TRP 11 2HZ TRP 11 17.667 -7.420 4.640
109 HZ3 TRP 11 3HZ TRP 11 13.419 -7.149 4.330
110 HH2 TRP 11 2HH TRP 11 15.460 -8.483 4.453
111 H ASN 12 H ASN 12 14.086 0.569 3.336
112 HA ASN 12 HA ASN 12 11.624 0.762 4.701
113 HB2 ASN 12 1HB ASN 12 13.452 2.614 3.300
114 HB3 ASN 12 2HB ASN 12 11.772 3.134 3.389
115 HD21 ASN 12 2HD2 ASN 12 14.518 3.711 4.780
116 HD22 ASN 12 1HD2 ASN 12 14.055 3.890 6.435
117 H TRP 13 H TRP 13 12.460 0.662 1.286
118 HA TRP 13 HA TRP 13 10.003 1.425 0.200
119 HB2 TRP 13 2HB TRP 13 12.181 1.093 -1.040
120 HB3 TRP 13 3HB TRP 13 11.864 -0.640 -0.985
121 HD1 TRP 13 1HD TRP 13 10.491 2.593 -2.555
122 HE1 TRP 13 1HE TRP 13 9.078 1.958 -4.611
123 HE3 TRP 13 3HE TRP 13 10.547 -2.493 -2.040
124 HZ2 TRP 13 2HZ TRP 13 8.114 -0.388 -5.850
125 HZ3 TRP 13 3HZ TRP 13 9.354 -3.860 -3.702
126 HH2 TRP 13 2HH TRP 13 8.163 -2.828 -5.566
127 H PHE 14 H PHE 14 10.932 -1.463 1.820
128 HA PHE 14 HA PHE 14 9.258 -3.380 0.759
129 HB2 PHE 14 2HB PHE 14 10.977 -3.490 2.729
130 HB3 PHE 14 3HB PHE 14 9.570 -3.159 3.734
131 HD1 PHE 14 2HD PHE 14 10.497 -5.402 0.896
132 HD2 PHE 14 1HD PHE 14 8.517 -4.975 4.639
133 HE1 PHE 14 2HE PHE 14 9.913 -7.792 0.856
134 HE2 PHE 14 1HE PHE 14 7.930 -7.364 4.606
135 HZ PHE 14 HZ PHE 14 8.628 -8.776 2.712
136 H ASP 15 H ASP 15 8.494 -1.255 3.523
137 HA ASP 15 HA ASP 15 5.826 -1.997 3.805
138 HB2 ASP 15 1HB ASP 15 7.065 -0.668 5.471
139 HB3 ASP 15 2HB ASP 15 7.061 0.707 4.370
140 H ILE 16 H ILE 16 7.311 0.418 1.712
141 HA ILE 16 HA ILE 16 4.891 1.583 0.803
142 HB ILE 16 HB ILE 16 7.664 1.536 -0.373
143 HG12 ILE 16 1HG1 ILE 16 7.366 4.050 0.210
144 HG13 ILE 16 2HG1 ILE 16 6.034 3.498 1.218
145 HG21 ILE 16 1HG2 ILE 16 6.511 3.570 -1.677
146 HG22 ILE 16 2HG2 ILE 16 6.588 1.933 -2.324
147 HG23 ILE 16 3HG2 ILE 16 5.120 2.498 -1.527
148 HD11 ILE 16 3HD1 ILE 16 8.819 2.407 1.460
149 HD12 ILE 16 1HD1 ILE 16 8.246 3.805 2.368
150 HD13 ILE 16 2HD1 ILE 16 7.476 2.233 2.589
151 H THR 17 H THR 17 6.699 -1.240 -0.127
152 HA THR 17 HA THR 17 5.796 -1.680 -2.709
153 HB THR 17 HB THR 17 5.988 -4.005 -0.837
154 HG1 THR 17 1HG THR 17 8.400 -3.677 -1.341
155 HG21 THR 17 3HG2 THR 17 6.696 -3.397 -3.684
156 HG22 THR 17 1HG2 THR 17 5.708 -4.705 -3.036
157 HG23 THR 17 2HG2 THR 17 7.461 -4.747 -2.844
158 H ASN 18 H ASN 18 4.331 -2.860 0.322
159 HA ASN 18 HA ASN 18 1.984 -3.797 -1.064
160 HB2 ASN 18 1HB ASN 18 3.132 -4.679 1.157
161 HB3 ASN 18 2HB ASN 18 2.053 -3.505 1.907
162 HD21 ASN 18 2HD2 ASN 18 2.211 -6.547 1.726
163 HD22 ASN 18 1HD2 ASN 18 0.596 -7.013 1.325
164 H TRP 19 H TRP 19 2.977 -0.934 0.613
165 HA TRP 19 HA TRP 19 0.579 0.172 1.418
166 HB2 TRP 19 2HB TRP 19 2.721 1.213 1.923
167 HB3 TRP 19 3HB TRP 19 2.977 1.572 0.218
168 HD1 TRP 19 1HD TRP 19 0.188 2.395 2.809
169 HE1 TRP 19 1HE TRP 19 -0.483 4.857 2.477
170 HE3 TRP 19 3HE TRP 19 3.301 3.570 -1.073
171 HZ2 TRP 19 2HZ TRP 19 0.215 7.013 0.794
172 HZ3 TRP 19 3HZ TRP 19 3.237 5.854 -1.986
173 HH2 TRP 19 2HH TRP 19 1.726 7.538 -1.071
174 H LEU 20 H LEU 20 2.059 0.221 -1.797
175 HA LEU 20 HA LEU 20 0.063 1.864 -2.982
176 HB2 LEU 20 1HB LEU 20 2.470 0.512 -3.796
177 HB3 LEU 20 2HB LEU 20 1.196 0.276 -4.990
178 HG LEU 20 HG LEU 20 1.045 2.962 -4.558
179 HD11 LEU 20 1HD1 LEU 20 3.915 2.852 -4.921
180 HD12 LEU 20 2HD1 LEU 20 3.426 2.259 -3.334
181 HD13 LEU 20 3HD1 LEU 20 2.948 3.875 -3.858
182 HD21 LEU 20 3HD2 LEU 20 2.515 1.297 -6.566
183 HD22 LEU 20 1HD2 LEU 20 2.518 3.057 -6.672
184 HD23 LEU 20 2HD2 LEU 20 0.993 2.172 -6.742
185 H TRP 21 H TRP 21 0.329 -1.528 -2.324
186 HA TRP 21 HA TRP 21 -1.772 -2.292 -4.152
187 HB2 TRP 21 2HB TRP 21 0.279 -3.642 -2.816
188 HB3 TRP 21 3HB TRP 21 -1.204 -4.239 -2.076
189 HD1 TRP 21 1HD TRP 21 0.410 -3.916 -5.579
190 HE1 TRP 21 1HE TRP 21 -0.514 -5.810 -7.057
191 HE3 TRP 21 3HE TRP 21 -2.993 -5.904 -2.322
192 HZ2 TRP 21 2HZ TRP 21 -2.431 -7.874 -6.869
193 HZ3 TRP 21 3HZ TRP 21 -4.332 -7.837 -3.049
194 HH2 TRP 21 2HH TRP 21 -4.055 -8.799 -5.275
195 H TYR 22 H TYR 22 -1.495 -1.306 -0.843
196 HA TYR 22 HA TYR 22 -4.054 -2.337 -0.030
197 HB2 TYR 22 2HB TYR 22 -2.270 -2.057 1.613
198 HB3 TYR 22 3HB TYR 22 -2.215 -0.328 1.290
199 HD1 TYR 22 2HD TYR 22 -4.021 1.140 2.069
200 HD2 TYR 22 1HD TYR 22 -4.001 -3.015 2.986
201 HE1 TYR 22 2HE TYR 22 -5.705 1.524 3.820
202 HE2 TYR 22 1HE TYR 22 -5.687 -2.643 4.739
203 HH TYR 22 HH TYR 22 -6.306 -0.035 6.170
204 H ILE 23 H ILE 23 -2.758 0.785 -1.050
205 HA ILE 23 HA ILE 23 -5.027 2.346 -0.513
206 HB ILE 23 HB ILE 23 -4.121 3.942 -2.159
207 HG12 ILE 23 1HG1 ILE 23 -1.943 1.905 -2.641
208 HG13 ILE 23 2HG1 ILE 23 -3.303 2.142 -3.734
209 HG21 ILE 23 1HG2 ILE 23 -1.614 3.320 -0.893
210 HG22 ILE 23 2HG2 ILE 23 -2.737 4.640 -0.568
211 HG23 ILE 23 3HG2 ILE 23 -2.954 3.081 0.228
212 HD11 ILE 23 3HD1 ILE 23 -2.569 4.232 -4.396
213 HD12 ILE 23 1HD1 ILE 23 -1.554 4.438 -2.968
214 HD13 ILE 23 2HD1 ILE 23 -1.072 3.314 -4.238
215 H LYS 24 H LYS 24 -4.332 0.100 -3.050
216 HA LYS 24 HA LYS 24 -6.323 1.074 -4.874
217 HB2 LYS 24 1HB LYS 24 -4.699 -1.463 -4.740
218 HB3 LYS 24 2HB LYS 24 -5.916 -1.193 -5.980
219 HG2 LYS 24 1HG LYS 24 -4.715 0.756 -6.774
220 HG3 LYS 24 2HG LYS 24 -3.520 0.565 -5.489
221 HD2 LYS 24 1HD LYS 24 -3.100 -1.757 -6.451
222 HD3 LYS 24 2HD LYS 24 -4.024 -1.221 -7.856
223 HE2 LYS 24 1HE LYS 24 -1.633 0.260 -6.779
224 HE3 LYS 24 2HE LYS 24 -1.521 -0.975 -8.031
225 HZ1 LYS 24 3HZ LYS 24 -3.489 1.087 -8.526
226 HZ2 LYS 24 1HZ LYS 24 -2.352 0.399 -9.574
227 HZ3 LYS 24 2HZ LYS 24 -1.887 1.631 -8.514
228 H LEU 25 H LEU 25 -6.078 -1.925 -2.951
229 HA LEU 25 HA LEU 25 -8.732 -2.739 -3.384
230 HB2 LEU 25 1HB LEU 25 -8.355 -4.174 -1.360
231 HB3 LEU 25 2HB LEU 25 -7.178 -4.359 -2.659
232 HG LEU 25 HG LEU 25 -5.931 -2.526 -1.096
233 HD11 LEU 25 1HD1 LEU 25 -7.241 -4.417 0.843
234 HD12 LEU 25 2HD1 LEU 25 -7.803 -2.768 0.570
235 HD13 LEU 25 3HD1 LEU 25 -6.181 -3.053 1.198
236 HD21 LEU 25 3HD2 LEU 25 -5.667 -5.438 -0.462
237 HD22 LEU 25 1HD2 LEU 25 -4.413 -4.210 -0.633
238 HD23 LEU 25 2HD2 LEU 25 -5.239 -4.829 -2.062
239 H PHE 26 H PHE 26 -7.260 -0.722 -0.905
240 HA PHE 26 HA PHE 26 -9.292 -0.595 0.958
241 HB2 PHE 26 2HB PHE 26 -7.179 0.467 1.397
242 HB3 PHE 26 3HB PHE 26 -7.389 1.563 0.035
243 HD1 PHE 26 2HD PHE 26 -9.586 0.575 2.884
244 HD2 PHE 26 1HD PHE 26 -7.632 3.716 0.781
245 HE1 PHE 26 2HE PHE 26 -10.635 2.223 4.379
246 HE2 PHE 26 1HE PHE 26 -8.677 5.370 2.273
247 HZ PHE 26 HZ PHE 26 -10.182 4.624 4.074
248 H ILE 27 H ILE 27 -8.795 1.743 -1.694
249 HA ILE 27 HA ILE 27 -11.184 3.129 -1.381
250 HB ILE 27 HB ILE 27 -9.675 2.638 -3.952
251 HG12 ILE 27 1HG1 ILE 27 -8.300 3.638 -2.157
252 HG13 ILE 27 2HG1 ILE 27 -8.569 4.760 -3.486
253 HG21 ILE 27 1HG2 ILE 27 -12.084 4.155 -3.325
254 HG22 ILE 27 2HG2 ILE 27 -10.838 5.116 -4.121
255 HG23 ILE 27 3HG2 ILE 27 -11.439 3.644 -4.884
256 HD11 ILE 27 3HD1 ILE 27 -9.107 5.110 -0.729
257 HD12 ILE 27 1HD1 ILE 27 -9.340 6.249 -2.053
258 HD13 ILE 27 2HD1 ILE 27 -10.640 5.147 -1.600
259 H MET 28 H MET 28 -10.527 0.092 -2.980
260 HA MET 28 HA MET 28 -12.950 -0.074 -4.446
261 HB2 MET 28 1HB MET 28 -10.797 -1.434 -4.766
262 HB3 MET 28 2HB MET 28 -11.378 -2.440 -3.446
263 HG2 MET 28 1HG MET 28 -13.557 -2.339 -5.084
264 HG3 MET 28 2HG MET 28 -12.224 -2.320 -6.236
265 HE1 MET 28 3HE MET 28 -13.772 -4.160 -3.155
266 HE2 MET 28 1HE MET 28 -14.654 -4.557 -4.631
267 HE3 MET 28 2HE MET 28 -13.744 -5.809 -3.783
268 H ILE 29 H ILE 29 -11.967 -1.185 -1.237
269 HA ILE 29 HA ILE 29 -14.430 -2.533 -0.694
270 HB ILE 29 HB ILE 29 -12.297 -1.585 1.225
271 HG12 ILE 29 1HG1 ILE 29 -12.534 -4.451 0.687
272 HG13 ILE 29 2HG1 ILE 29 -12.097 -3.518 -0.739
273 HG21 ILE 29 1HG2 ILE 29 -14.193 -1.941 2.535
274 HG22 ILE 29 2HG2 ILE 29 -14.719 -3.317 1.566
275 HG23 ILE 29 3HG2 ILE 29 -13.322 -3.472 2.632
276 HD11 ILE 29 3HD1 ILE 29 -10.581 -3.997 1.758
277 HD12 ILE 29 1HD1 ILE 29 -10.030 -3.959 0.083
278 HD13 ILE 29 2HD1 ILE 29 -10.361 -2.451 0.938
279 H VAL 30 H VAL 30 -13.135 0.674 -0.043
280 HA VAL 30 HA VAL 30 -14.935 1.624 1.820
281 HB VAL 30 HB VAL 30 -13.766 3.158 -0.506
282 HG11 VAL 30 1HG1 VAL 30 -15.296 4.663 0.239
283 HG12 VAL 30 2HG1 VAL 30 -15.369 3.959 1.856
284 HG13 VAL 30 3HG1 VAL 30 -14.016 4.997 1.404
285 HG21 VAL 30 3HG2 VAL 30 -12.432 1.898 1.550
286 HG22 VAL 30 1HG2 VAL 30 -11.815 3.234 0.578
287 HG23 VAL 30 2HG2 VAL 30 -12.593 3.557 2.128
288 H GLY 31 H GLY 31 -15.287 1.503 -1.709
289 HA2 GLY 31 1HA GLY 31 -17.727 2.859 -1.908
290 HA3 GLY 31 2HA GLY 31 -17.140 1.662 -3.054
291 H LYS 32 H LYS 32 -17.032 -0.428 -0.961
292 HA LYS 32 HA LYS 32 -19.643 -1.469 -1.327
293 HB2 LYS 32 1HB LYS 32 -17.596 -2.430 0.672
294 HB3 LYS 32 2HB LYS 32 -18.898 -3.360 -0.058
295 HG2 LYS 32 1HG LYS 32 -16.492 -2.256 -1.492
296 HG3 LYS 32 2HG LYS 32 -16.754 -3.940 -1.035
297 HD2 LYS 32 1HD LYS 32 -19.000 -3.544 -2.413
298 HD3 LYS 32 2HD LYS 32 -17.986 -2.339 -3.211
299 HE2 LYS 32 1HE LYS 32 -17.401 -4.091 -4.507
300 HE3 LYS 32 2HE LYS 32 -16.292 -4.431 -3.179
301 HZ1 LYS 32 3HZ LYS 32 -18.272 -5.775 -2.254
302 HZ2 LYS 32 1HZ LYS 32 -17.335 -6.442 -3.495
303 HZ3 LYS 32 2HZ LYS 32 -18.837 -5.749 -3.848
304 H LYS 33 H LYS 33 -17.937 -0.422 1.625
305 HA LYS 33 HA LYS 33 -20.028 -0.717 3.418
306 HB2 LYS 33 1HB LYS 33 -17.899 1.431 3.454
307 HB3 LYS 33 2HB LYS 33 -18.857 0.903 4.831
308 HG2 LYS 33 1HG LYS 33 -16.952 -0.852 3.297
309 HG3 LYS 33 2HG LYS 33 -16.571 -0.024 4.809
310 HD2 LYS 33 1HD LYS 33 -18.816 -2.010 4.467
311 HD3 LYS 33 2HD LYS 33 -17.219 -2.409 5.105
312 HE2 LYS 33 1HE LYS 33 -18.249 -0.126 6.486
313 HE3 LYS 33 2HE LYS 33 -19.460 -1.408 6.501
314 HZ1 LYS 33 3HZ LYS 33 -16.866 -1.297 7.795
315 HZ2 LYS 33 1HZ LYS 33 -17.268 -2.788 7.103
316 HZ3 LYS 33 2HZ LYS 33 -18.280 -2.095 8.268
317 H LYS 34 H LYS 34 -19.324 1.930 1.211
318 HA LYS 34 HA LYS 34 -21.101 3.839 2.198
319 HB2 LYS 34 1HB LYS 34 -19.547 3.433 -0.194
320 HB3 LYS 34 2HB LYS 34 -21.136 4.062 -0.611
321 HG2 LYS 34 1HG LYS 34 -19.565 5.354 1.571
322 HG3 LYS 34 2HG LYS 34 -19.174 5.691 -0.118
323 HD2 LYS 34 1HD LYS 34 -20.885 7.101 -0.268
324 HD3 LYS 34 2HD LYS 34 -22.009 5.841 0.246
325 HE2 LYS 34 1HE LYS 34 -22.346 7.269 1.969
326 HE3 LYS 34 2HE LYS 34 -20.923 6.453 2.617
327 HZ1 LYS 34 3HZ LYS 34 -19.772 8.333 2.533
328 HZ2 LYS 34 1HZ LYS 34 -21.209 9.146 2.162
329 HZ3 LYS 34 2HZ LYS 34 -20.193 8.616 0.919
330 H LYS 35 H LYS 35 -21.633 1.208 -0.113
331 HA LYS 35 HA LYS 35 -24.339 1.868 -0.665
332 HB2 LYS 35 1HB LYS 35 -22.478 -0.307 -1.308
333 HB3 LYS 35 2HB LYS 35 -24.153 -0.827 -1.166
334 HG2 LYS 35 1HG LYS 35 -24.838 0.416 -2.969
335 HG3 LYS 35 2HG LYS 35 -23.519 1.577 -2.807
336 HD2 LYS 35 1HD LYS 35 -22.260 0.431 -4.240
337 HD3 LYS 35 2HD LYS 35 -22.478 -1.057 -3.315
338 HE2 LYS 35 1HE LYS 35 -24.826 -0.259 -4.868
339 HE3 LYS 35 2HE LYS 35 -23.406 -0.615 -5.849
340 HZ1 LYS 35 3HZ LYS 35 -24.650 -2.416 -3.842
341 HZ2 LYS 35 1HZ LYS 35 -23.233 -2.758 -4.701
342 HZ3 LYS 35 2HZ LYS 35 -24.703 -2.599 -5.523
343 H LYS 36 H LYS 36 -26.069 1.610 0.572
344 HA LYS 36 HA LYS 36 -25.881 -0.154 2.911
345 HB2 LYS 36 1HB LYS 36 -26.557 2.400 2.939
346 HB3 LYS 36 2HB LYS 36 -28.139 1.763 2.510
347 HG2 LYS 36 1HG LYS 36 -28.493 0.895 4.555
348 HG3 LYS 36 2HG LYS 36 -26.803 0.437 4.773
349 HD2 LYS 36 1HD LYS 36 -26.296 2.882 5.095
350 HD3 LYS 36 2HD LYS 36 -28.037 3.164 5.128
351 HE2 LYS 36 1HE LYS 36 -28.297 2.163 7.164
352 HE3 LYS 36 2HE LYS 36 -26.941 1.064 6.919
353 HZ1 LYS 36 3HZ LYS 36 -26.095 2.490 8.475
354 HZ2 LYS 36 1HZ LYS 36 -26.934 3.836 7.885
355 HZ3 LYS 36 2HZ LYS 36 -25.575 3.257 7.060
Start of MODEL 9
1 H1 LYS 1 H LYS 1 21.062 13.654 5.888
2 HA LYS 1 HA LYS 1 23.247 12.731 6.434
3 HB2 LYS 1 1HB LYS 1 20.804 11.115 6.619
4 HB3 LYS 1 2HB LYS 1 22.288 10.174 6.705
5 HG2 LYS 1 1HG LYS 1 21.609 12.524 8.463
6 HG3 LYS 1 2HG LYS 1 21.474 10.824 8.917
7 HD2 LYS 1 1HD LYS 1 23.940 10.621 8.389
8 HD3 LYS 1 2HD LYS 1 23.971 12.383 8.287
9 HE2 LYS 1 1HE LYS 1 24.604 11.983 10.482
10 HE3 LYS 1 2HE LYS 1 22.877 12.304 10.626
11 HZ1 LYS 1 3HZ LYS 1 24.347 9.855 11.099
12 HZ2 LYS 1 1HZ LYS 1 22.887 9.660 10.265
13 HZ3 LYS 1 2HZ LYS 1 22.900 10.400 11.786
14 H LYS 2 H LYS 2 21.586 10.444 4.255
15 HA LYS 2 HA LYS 2 22.359 9.092 2.597
16 HB2 LYS 2 1HB LYS 2 24.532 11.155 2.225
17 HB3 LYS 2 2HB LYS 2 23.899 10.039 1.022
18 HG2 LYS 2 1HG LYS 2 22.274 12.221 2.307
19 HG3 LYS 2 2HG LYS 2 23.123 12.389 0.769
20 HD2 LYS 2 1HD LYS 2 21.773 10.134 0.267
21 HD3 LYS 2 2HD LYS 2 20.672 10.865 1.437
22 HE2 LYS 2 1HE LYS 2 21.548 12.844 -0.444
23 HE3 LYS 2 2HE LYS 2 20.921 11.441 -1.307
24 HZ1 LYS 2 3HZ LYS 2 19.073 11.769 0.600
25 HZ2 LYS 2 1HZ LYS 2 18.959 12.432 -0.952
26 HZ3 LYS 2 2HZ LYS 2 19.528 13.376 0.331
27 H LYS 3 H LYS 3 22.969 7.476 4.132
28 HA LYS 3 HA LYS 3 25.680 7.375 5.102
29 HB2 LYS 3 1HB LYS 3 23.369 5.441 5.229
30 HB3 LYS 3 2HB LYS 3 24.958 5.064 5.881
31 HG2 LYS 3 1HG LYS 3 24.163 7.605 6.874
32 HG3 LYS 3 2HG LYS 3 22.837 6.464 7.113
33 HD2 LYS 3 1HD LYS 3 25.548 5.494 7.786
34 HD3 LYS 3 2HD LYS 3 24.875 6.741 8.839
35 HE2 LYS 3 1HE LYS 3 23.756 5.133 9.891
36 HE3 LYS 3 2HE LYS 3 22.792 4.933 8.429
37 HZ1 LYS 3 3HZ LYS 3 23.856 2.863 9.280
38 HZ2 LYS 3 1HZ LYS 3 25.362 3.528 8.892
39 HZ3 LYS 3 2HZ LYS 3 24.230 3.227 7.671
40 H LYS 4 H LYS 4 27.043 5.426 4.720
41 HA LYS 4 HA LYS 4 27.709 5.152 2.037
42 HB2 LYS 4 1HB LYS 4 28.581 4.046 4.552
43 HB3 LYS 4 2HB LYS 4 28.572 2.796 3.315
44 HG2 LYS 4 1HG LYS 4 29.765 5.347 2.489
45 HG3 LYS 4 2HG LYS 4 30.627 4.490 3.769
46 HD2 LYS 4 1HD LYS 4 31.572 3.670 1.792
47 HD3 LYS 4 2HD LYS 4 30.413 2.424 2.263
48 HE2 LYS 4 1HE LYS 4 29.095 2.798 0.475
49 HE3 LYS 4 2HE LYS 4 29.337 4.543 0.531
50 HZ1 LYS 4 3HZ LYS 4 31.615 4.094 -0.386
51 HZ2 LYS 4 1HZ LYS 4 30.333 3.787 -1.448
52 HZ3 LYS 4 2HZ LYS 4 31.116 2.503 -0.674
53 H ASP 5 H ASP 5 25.619 3.165 4.063
54 HA ASP 5 HA ASP 5 25.189 1.209 1.984
55 HB2 ASP 5 1HB ASP 5 24.036 1.616 4.738
56 HB3 ASP 5 2HB ASP 5 23.407 0.390 3.641
57 H LYS 6 H LYS 6 24.230 2.159 0.239
58 HA LYS 6 HA LYS 6 22.029 3.972 0.476
59 HB2 LYS 6 1HB LYS 6 23.569 2.728 -1.727
60 HB3 LYS 6 2HB LYS 6 21.919 3.202 -2.109
61 HG2 LYS 6 1HG LYS 6 23.875 5.086 -0.832
62 HG3 LYS 6 2HG LYS 6 23.736 4.898 -2.581
63 HD2 LYS 6 1HD LYS 6 21.289 5.431 -0.951
64 HD3 LYS 6 2HD LYS 6 22.379 6.760 -1.351
65 HE2 LYS 6 1HE LYS 6 21.364 4.890 -3.464
66 HE3 LYS 6 2HE LYS 6 20.402 6.267 -2.927
67 HZ1 LYS 6 3HZ LYS 6 22.729 7.456 -3.374
68 HZ2 LYS 6 1HZ LYS 6 21.536 7.291 -4.563
69 HZ3 LYS 6 2HZ LYS 6 22.837 6.211 -4.513
70 H TRP 7 H TRP 7 22.390 0.534 -0.189
71 HA TRP 7 HA TRP 7 19.770 -0.023 -0.994
72 HB2 TRP 7 2HB TRP 7 20.254 -2.334 -0.467
73 HB3 TRP 7 3HB TRP 7 21.690 -1.599 -1.176
74 HD1 TRP 7 1HD TRP 7 23.829 -1.324 0.381
75 HE1 TRP 7 1HE TRP 7 24.469 -2.358 2.648
76 HE3 TRP 7 3HE TRP 7 19.249 -3.114 1.779
77 HZ2 TRP 7 2HZ TRP 7 23.201 -3.750 4.752
78 HZ3 TRP 7 3HZ TRP 7 19.048 -4.285 3.934
79 HH2 TRP 7 2HH TRP 7 20.985 -4.597 5.387
80 H ALA 8 H ALA 8 21.154 0.455 2.177
81 HA ALA 8 HA ALA 8 19.229 -0.693 3.803
82 HB1 ALA 8 3HB ALA 8 20.048 1.780 4.966
83 HB2 ALA 8 1HB ALA 8 20.554 0.139 5.373
84 HB3 ALA 8 2HB ALA 8 21.423 1.048 4.137
85 H SER 9 H SER 9 19.164 2.359 2.069
86 HA SER 9 HA SER 9 16.843 3.393 3.354
87 HB2 SER 9 1HB SER 9 18.678 4.594 1.897
88 HB3 SER 9 2HB SER 9 17.593 4.190 0.566
89 HG SER 9 HG SER 9 16.502 5.876 1.157
90 H LEU 10 H LEU 10 17.407 1.509 0.427
91 HA LEU 10 HA LEU 10 14.791 1.632 -0.605
92 HB2 LEU 10 1HB LEU 10 17.137 0.636 -1.491
93 HB3 LEU 10 2HB LEU 10 16.316 -0.855 -1.036
94 HG LEU 10 HG LEU 10 14.759 1.009 -2.714
95 HD11 LEU 10 1HD1 LEU 10 15.975 0.907 -4.615
96 HD12 LEU 10 2HD1 LEU 10 16.683 -0.658 -4.212
97 HD13 LEU 10 3HD1 LEU 10 17.318 0.813 -3.475
98 HD21 LEU 10 3HD2 LEU 10 14.581 -1.378 -3.883
99 HD22 LEU 10 1HD2 LEU 10 13.623 -0.939 -2.469
100 HD23 LEU 10 2HD2 LEU 10 15.087 -1.902 -2.276
101 H TRP 11 H TRP 11 16.212 -0.252 1.935
102 HA TRP 11 HA TRP 11 14.493 -2.423 2.078
103 HB2 TRP 11 2HB TRP 11 16.537 -2.089 3.474
104 HB3 TRP 11 3HB TRP 11 15.642 -0.914 4.434
105 HD1 TRP 11 1HD TRP 11 16.019 -4.656 3.873
106 HE1 TRP 11 1HE TRP 11 14.737 -5.912 5.719
107 HE3 TRP 11 3HE TRP 11 13.589 -0.698 6.010
108 HZ2 TRP 11 2HZ TRP 11 12.934 -5.305 7.804
109 HZ3 TRP 11 3HZ TRP 11 12.105 -1.121 7.926
110 HH2 TRP 11 2HH TRP 11 11.785 -3.377 8.802
111 H ASN 12 H ASN 12 14.021 0.890 3.148
112 HA ASN 12 HA ASN 12 11.684 0.460 4.670
113 HB2 ASN 12 1HB ASN 12 13.310 2.630 4.089
114 HB3 ASN 12 2HB ASN 12 11.778 3.050 3.329
115 HD21 ASN 12 2HD2 ASN 12 13.295 2.105 6.349
116 HD22 ASN 12 1HD2 ASN 12 12.099 2.802 7.384
117 H TRP 13 H TRP 13 12.257 0.826 1.254
118 HA TRP 13 HA TRP 13 9.694 1.518 0.388
119 HB2 TRP 13 2HB TRP 13 11.804 1.439 -1.003
120 HB3 TRP 13 3HB TRP 13 11.596 -0.309 -1.087
121 HD1 TRP 13 1HD TRP 13 9.935 2.952 -2.274
122 HE1 TRP 13 1HE TRP 13 8.434 2.408 -4.294
123 HE3 TRP 13 3HE TRP 13 10.327 -2.146 -2.228
124 HZ2 TRP 13 2HZ TRP 13 7.536 0.121 -5.683
125 HZ3 TRP 13 3HZ TRP 13 9.115 -3.438 -3.935
126 HH2 TRP 13 2HH TRP 13 7.749 -2.326 -5.626
127 H PHE 14 H PHE 14 10.895 -1.432 1.682
128 HA PHE 14 HA PHE 14 9.275 -3.355 0.550
129 HB2 PHE 14 2HB PHE 14 11.061 -3.857 2.163
130 HB3 PHE 14 3HB PHE 14 10.100 -3.144 3.454
131 HD1 PHE 14 1HD PHE 14 10.388 -5.979 1.136
132 HD2 PHE 14 2HD PHE 14 8.294 -4.335 4.457
133 HE1 PHE 14 1HE PHE 14 9.333 -8.164 1.548
134 HE2 PHE 14 2HE PHE 14 7.236 -6.518 4.875
135 HZ PHE 14 HZ PHE 14 7.757 -8.435 3.421
136 H ASP 15 H ASP 15 8.563 -1.534 3.534
137 HA ASP 15 HA ASP 15 5.966 -2.470 3.901
138 HB2 ASP 15 1HB ASP 15 7.318 -1.156 5.558
139 HB3 ASP 15 2HB ASP 15 6.961 0.293 4.621
140 H ILE 16 H ILE 16 7.168 0.211 1.956
141 HA ILE 16 HA ILE 16 4.630 1.290 1.297
142 HB ILE 16 HB ILE 16 7.321 1.527 -0.038
143 HG12 ILE 16 1HG1 ILE 16 6.911 3.956 0.787
144 HG13 ILE 16 2HG1 ILE 16 5.681 3.232 1.818
145 HG21 ILE 16 1HG2 ILE 16 4.656 2.419 -0.949
146 HG22 ILE 16 2HG2 ILE 16 5.968 3.587 -1.080
147 HG23 ILE 16 3HG2 ILE 16 6.101 2.021 -1.879
148 HD11 ILE 16 3HD1 ILE 16 7.280 1.950 2.982
149 HD12 ILE 16 1HD1 ILE 16 8.536 2.306 1.797
150 HD13 ILE 16 2HD1 ILE 16 7.939 3.581 2.861
151 H THR 17 H THR 17 6.541 -1.317 0.010
152 HA THR 17 HA THR 17 5.504 -1.587 -2.543
153 HB THR 17 HB THR 17 5.953 -4.049 -0.905
154 HG1 THR 17 1HG THR 17 8.258 -3.654 -1.259
155 HG21 THR 17 3HG2 THR 17 6.440 -3.152 -3.721
156 HG22 THR 17 1HG2 THR 17 5.576 -4.574 -3.138
157 HG23 THR 17 2HG2 THR 17 7.337 -4.516 -3.054
158 H ASN 18 H ASN 18 4.282 -3.038 0.473
159 HA ASN 18 HA ASN 18 1.942 -4.084 -0.839
160 HB2 ASN 18 1HB ASN 18 3.305 -4.693 1.497
161 HB3 ASN 18 2HB ASN 18 1.816 -3.951 2.075
162 HD21 ASN 18 2HD2 ASN 18 2.627 -6.677 2.368
163 HD22 ASN 18 1HD2 ASN 18 1.442 -7.648 1.570
164 H TRP 19 H TRP 19 2.795 -1.230 0.956
165 HA TRP 19 HA TRP 19 0.319 -0.336 1.817
166 HB2 TRP 19 2HB TRP 19 2.434 0.768 2.402
167 HB3 TRP 19 3HB TRP 19 2.610 1.322 0.739
168 HD1 TRP 19 1HD TRP 19 -0.095 1.672 3.518
169 HE1 TRP 19 1HE TRP 19 -0.977 4.089 3.451
170 HE3 TRP 19 3HE TRP 19 2.668 3.436 -0.405
171 HZ2 TRP 19 2HZ TRP 19 -0.557 6.433 1.936
172 HZ3 TRP 19 3HZ TRP 19 2.368 5.777 -1.100
173 HH2 TRP 19 2HH TRP 19 0.787 7.243 0.047
174 H LEU 20 H LEU 20 1.921 0.399 -1.283
175 HA LEU 20 HA LEU 20 -0.167 1.883 -2.398
176 HB2 LEU 20 1HB LEU 20 2.259 0.553 -3.353
177 HB3 LEU 20 2HB LEU 20 0.988 0.682 -4.566
178 HG LEU 20 HG LEU 20 1.071 3.223 -3.561
179 HD11 LEU 20 1HD1 LEU 20 3.942 2.749 -3.984
180 HD12 LEU 20 2HD1 LEU 20 3.292 2.168 -2.452
181 HD13 LEU 20 3HD1 LEU 20 3.120 3.866 -2.896
182 HD21 LEU 20 3HD2 LEU 20 2.873 2.408 -5.806
183 HD22 LEU 20 1HD2 LEU 20 1.828 3.823 -5.665
184 HD23 LEU 20 2HD2 LEU 20 1.124 2.231 -5.954
185 H TRP 21 H TRP 21 0.239 -1.535 -2.013
186 HA TRP 21 HA TRP 21 -1.782 -2.242 -3.947
187 HB2 TRP 21 2HB TRP 21 0.279 -3.606 -2.592
188 HB3 TRP 21 3HB TRP 21 -1.228 -4.345 -2.055
189 HD1 TRP 21 1HD TRP 21 1.081 -4.110 -5.033
190 HE1 TRP 21 1HE TRP 21 0.227 -5.661 -6.900
191 HE3 TRP 21 3HE TRP 21 -3.482 -5.309 -3.066
192 HZ2 TRP 21 2HZ TRP 21 -2.077 -7.192 -7.464
193 HZ3 TRP 21 3HZ TRP 21 -4.951 -6.823 -4.332
194 HH2 TRP 21 2HH TRP 21 -4.262 -7.744 -6.485
195 H TYR 22 H TYR 22 -1.626 -1.521 -0.560
196 HA TYR 22 HA TYR 22 -4.175 -2.699 0.078
197 HB2 TYR 22 2HB TYR 22 -2.384 -2.505 1.766
198 HB3 TYR 22 3HB TYR 22 -2.487 -0.751 1.664
199 HD1 TYR 22 2HD TYR 22 -4.237 -3.803 2.763
200 HD2 TYR 22 1HD TYR 22 -4.231 0.453 2.776
201 HE1 TYR 22 2HE TYR 22 -5.975 -3.811 4.503
202 HE2 TYR 22 1HE TYR 22 -5.969 0.455 4.518
203 HH TYR 22 HH TYR 22 -6.719 -1.229 6.371
204 H ILE 23 H ILE 23 -2.932 0.533 -0.603
205 HA ILE 23 HA ILE 23 -5.271 1.971 0.013
206 HB ILE 23 HB ILE 23 -4.345 3.769 -1.375
207 HG12 ILE 23 1HG1 ILE 23 -2.155 1.808 -2.085
208 HG13 ILE 23 2HG1 ILE 23 -3.462 2.267 -3.171
209 HG21 ILE 23 1HG2 ILE 23 -2.954 4.298 0.283
210 HG22 ILE 23 2HG2 ILE 23 -3.252 2.683 0.925
211 HG23 ILE 23 3HG2 ILE 23 -1.860 2.974 -0.116
212 HD11 ILE 23 3HD1 ILE 23 -1.592 4.280 -1.972
213 HD12 ILE 23 1HD1 ILE 23 -1.246 3.440 -3.483
214 HD13 ILE 23 2HD1 ILE 23 -2.672 4.469 -3.354
215 H LYS 24 H LYS 24 -4.385 0.044 -2.724
216 HA LYS 24 HA LYS 24 -6.303 1.155 -4.536
217 HB2 LYS 24 1HB LYS 24 -4.609 -1.332 -4.547
218 HB3 LYS 24 2HB LYS 24 -5.816 -1.044 -5.793
219 HG2 LYS 24 1HG LYS 24 -4.690 1.091 -6.333
220 HG3 LYS 24 2HG LYS 24 -3.438 0.688 -5.157
221 HD2 LYS 24 1HD LYS 24 -2.975 -1.387 -6.437
222 HD3 LYS 24 2HD LYS 24 -4.143 -0.858 -7.650
223 HE2 LYS 24 1HE LYS 24 -2.152 -0.132 -8.562
224 HE3 LYS 24 2HE LYS 24 -2.701 1.307 -7.704
225 HZ1 LYS 24 3HZ LYS 24 -0.266 0.199 -7.437
226 HZ2 LYS 24 1HZ LYS 24 -1.081 -0.478 -6.118
227 HZ3 LYS 24 2HZ LYS 24 -0.993 1.203 -6.286
228 H LEU 25 H LEU 25 -6.127 -1.958 -2.800
229 HA LEU 25 HA LEU 25 -8.743 -2.773 -3.479
230 HB2 LEU 25 1HB LEU 25 -8.461 -4.391 -1.602
231 HB3 LEU 25 2HB LEU 25 -7.175 -4.420 -2.807
232 HG LEU 25 HG LEU 25 -6.061 -2.760 -1.020
233 HD11 LEU 25 1HD1 LEU 25 -6.707 -3.037 1.131
234 HD12 LEU 25 2HD1 LEU 25 -7.258 -4.691 0.873
235 HD13 LEU 25 3HD1 LEU 25 -8.266 -3.338 0.366
236 HD21 LEU 25 3HD2 LEU 25 -4.821 -4.698 -0.194
237 HD22 LEU 25 1HD2 LEU 25 -5.059 -4.786 -1.939
238 HD23 LEU 25 2HD2 LEU 25 -6.048 -5.774 -0.864
239 H PHE 26 H PHE 26 -7.427 -1.001 -0.733
240 HA PHE 26 HA PHE 26 -9.580 -1.043 0.995
241 HB2 PHE 26 2HB PHE 26 -7.481 -0.054 1.662
242 HB3 PHE 26 3HB PHE 26 -7.627 1.194 0.428
243 HD1 PHE 26 2HD PHE 26 -9.019 -0.043 3.611
244 HD2 PHE 26 1HD PHE 26 -8.868 3.164 0.817
245 HE1 PHE 26 2HE PHE 26 -10.154 1.418 5.232
246 HE2 PHE 26 1HE PHE 26 -10.003 4.631 2.434
247 HZ PHE 26 HZ PHE 26 -10.648 3.758 4.645
248 H ILE 27 H ILE 27 -8.888 1.576 -1.329
249 HA ILE 27 HA ILE 27 -11.312 2.915 -1.049
250 HB ILE 27 HB ILE 27 -9.593 2.756 -3.527
251 HG12 ILE 27 1HG1 ILE 27 -8.363 3.497 -1.513
252 HG13 ILE 27 2HG1 ILE 27 -8.531 4.789 -2.697
253 HG21 ILE 27 1HG2 ILE 27 -11.818 4.595 -2.704
254 HG22 ILE 27 2HG2 ILE 27 -10.606 5.069 -3.893
255 HG23 ILE 27 3HG2 ILE 27 -11.643 3.675 -4.198
256 HD11 ILE 27 3HD1 ILE 27 -10.280 5.808 -1.408
257 HD12 ILE 27 1HD1 ILE 27 -10.283 4.456 -0.275
258 HD13 ILE 27 2HD1 ILE 27 -8.883 5.525 -0.371
259 H MET 28 H MET 28 -10.537 0.026 -2.796
260 HA MET 28 HA MET 28 -12.798 0.062 -4.540
261 HB2 MET 28 1HB MET 28 -10.662 -1.243 -4.901
262 HB3 MET 28 2HB MET 28 -11.223 -2.358 -3.664
263 HG2 MET 28 1HG MET 28 -13.374 -2.217 -5.347
264 HG3 MET 28 2HG MET 28 -12.010 -2.101 -6.455
265 HE1 MET 28 3HE MET 28 -14.439 -4.494 -5.198
266 HE2 MET 28 1HE MET 28 -13.569 -5.770 -4.345
267 HE3 MET 28 2HE MET 28 -13.710 -4.166 -3.626
268 H ILE 29 H ILE 29 -12.142 -1.219 -1.339
269 HA ILE 29 HA ILE 29 -14.631 -2.667 -1.191
270 HB ILE 29 HB ILE 29 -12.663 -1.983 0.996
271 HG12 ILE 29 1HG1 ILE 29 -12.858 -4.764 0.127
272 HG13 ILE 29 2HG1 ILE 29 -12.322 -3.689 -1.160
273 HG21 ILE 29 1HG2 ILE 29 -14.728 -2.450 2.034
274 HG22 ILE 29 2HG2 ILE 29 -15.072 -3.778 0.927
275 HG23 ILE 29 3HG2 ILE 29 -13.796 -3.944 2.133
276 HD11 ILE 29 3HD1 ILE 29 -10.295 -4.052 -0.300
277 HD12 ILE 29 1HD1 ILE 29 -10.775 -2.852 0.900
278 HD13 ILE 29 2HD1 ILE 29 -10.937 -4.572 1.258
279 H VAL 30 H VAL 30 -13.362 0.412 -0.043
280 HA VAL 30 HA VAL 30 -15.320 1.169 1.747
281 HB VAL 30 HB VAL 30 -13.944 2.973 -0.247
282 HG11 VAL 30 1HG1 VAL 30 -15.250 3.585 2.401
283 HG12 VAL 30 2HG1 VAL 30 -14.345 4.734 1.414
284 HG13 VAL 30 3HG1 VAL 30 -15.853 4.045 0.810
285 HG21 VAL 30 3HG2 VAL 30 -12.060 2.513 0.839
286 HG22 VAL 30 1HG2 VAL 30 -12.781 3.189 2.300
287 HG23 VAL 30 2HG2 VAL 30 -12.920 1.463 1.966
288 H GLY 31 H GLY 31 -15.326 1.494 -1.787
289 HA2 GLY 31 1HA GLY 31 -17.640 2.966 -2.135
290 HA3 GLY 31 2HA GLY 31 -17.065 1.750 -3.266
291 H LYS 32 H LYS 32 -17.311 -0.380 -1.212
292 HA LYS 32 HA LYS 32 -20.014 -1.112 -1.791
293 HB2 LYS 32 1HB LYS 32 -17.986 -2.429 0.025
294 HB3 LYS 32 2HB LYS 32 -19.504 -3.146 -0.496
295 HG2 LYS 32 1HG LYS 32 -18.728 -3.056 -2.826
296 HG3 LYS 32 2HG LYS 32 -17.190 -2.389 -2.270
297 HD2 LYS 32 1HD LYS 32 -16.445 -4.389 -1.549
298 HD3 LYS 32 2HD LYS 32 -18.026 -4.867 -0.927
299 HE2 LYS 32 1HE LYS 32 -18.685 -5.124 -3.400
300 HE3 LYS 32 2HE LYS 32 -16.952 -5.091 -3.719
301 HZ1 LYS 32 3HZ LYS 32 -16.676 -7.139 -2.881
302 HZ2 LYS 32 1HZ LYS 32 -18.335 -7.310 -3.168
303 HZ3 LYS 32 2HZ LYS 32 -17.781 -6.906 -1.621
304 H LYS 33 H LYS 33 -18.281 0.025 1.059
305 HA LYS 33 HA LYS 33 -20.517 -0.313 2.826
306 HB2 LYS 33 1HB LYS 33 -18.039 1.371 3.224
307 HB3 LYS 33 2HB LYS 33 -19.146 0.821 4.474
308 HG2 LYS 33 1HG LYS 33 -17.388 -0.937 2.776
309 HG3 LYS 33 2HG LYS 33 -17.105 -0.496 4.462
310 HD2 LYS 33 1HD LYS 33 -19.614 -1.485 4.627
311 HD3 LYS 33 2HD LYS 33 -18.975 -2.457 3.299
312 HE2 LYS 33 1HE LYS 33 -18.381 -3.735 5.115
313 HE3 LYS 33 2HE LYS 33 -16.929 -2.760 4.896
314 HZ1 LYS 33 3HZ LYS 33 -18.716 -1.380 6.568
315 HZ2 LYS 33 1HZ LYS 33 -17.175 -1.973 6.935
316 HZ3 LYS 33 2HZ LYS 33 -18.534 -2.952 7.164
317 H LYS 34 H LYS 34 -19.231 2.262 0.839
318 HA LYS 34 HA LYS 34 -20.613 4.426 1.976
319 HB2 LYS 34 1HB LYS 34 -18.819 4.102 -0.084
320 HB3 LYS 34 2HB LYS 34 -20.291 4.552 -0.936
321 HG2 LYS 34 1HG LYS 34 -20.408 6.457 0.833
322 HG3 LYS 34 2HG LYS 34 -18.687 6.119 1.029
323 HD2 LYS 34 1HD LYS 34 -18.526 7.656 -0.634
324 HD3 LYS 34 2HD LYS 34 -18.791 6.229 -1.639
325 HE2 LYS 34 1HE LYS 34 -20.242 7.994 -2.390
326 HE3 LYS 34 2HE LYS 34 -21.218 6.736 -1.632
327 HZ1 LYS 34 3HZ LYS 34 -21.568 9.255 -1.063
328 HZ2 LYS 34 1HZ LYS 34 -20.307 8.970 0.029
329 HZ3 LYS 34 2HZ LYS 34 -21.732 8.064 0.127
330 H LYS 35 H LYS 35 -21.541 2.088 -0.497
331 HA LYS 35 HA LYS 35 -23.948 3.322 -1.283
332 HB2 LYS 35 1HB LYS 35 -23.264 0.376 -1.300
333 HB3 LYS 35 2HB LYS 35 -24.544 1.148 -2.229
334 HG2 LYS 35 1HG LYS 35 -21.974 2.389 -2.707
335 HG3 LYS 35 2HG LYS 35 -21.953 0.659 -3.062
336 HD2 LYS 35 1HD LYS 35 -23.350 0.874 -4.823
337 HD3 LYS 35 2HD LYS 35 -24.312 2.129 -4.039
338 HE2 LYS 35 1HE LYS 35 -23.225 3.727 -5.138
339 HE3 LYS 35 2HE LYS 35 -21.666 3.103 -4.600
340 HZ1 LYS 35 3HZ LYS 35 -23.185 2.372 -7.031
341 HZ2 LYS 35 1HZ LYS 35 -21.928 1.408 -6.438
342 HZ3 LYS 35 2HZ LYS 35 -21.617 2.998 -6.922
343 H LYS 36 H LYS 36 -26.024 1.690 -1.013
344 HA LYS 36 HA LYS 36 -26.353 0.936 1.776
345 HB2 LYS 36 1HB LYS 36 -27.087 3.481 1.012
346 HB3 LYS 36 2HB LYS 36 -28.594 2.586 0.861
347 HG2 LYS 36 1HG LYS 36 -27.278 1.917 3.326
348 HG3 LYS 36 2HG LYS 36 -27.477 3.665 3.181
349 HD2 LYS 36 1HD LYS 36 -29.765 3.541 3.185
350 HD3 LYS 36 2HD LYS 36 -29.786 1.920 2.486
351 HE2 LYS 36 1HE LYS 36 -30.503 1.663 4.716
352 HE3 LYS 36 2HE LYS 36 -28.830 1.110 4.688
353 HZ1 LYS 36 3HZ LYS 36 -28.107 2.967 5.820
354 HZ2 LYS 36 1HZ LYS 36 -29.604 2.684 6.555
355 HZ3 LYS 36 2HZ LYS 36 -29.450 3.902 5.391
Start of MODEL 10
1 H1 LYS 1 H LYS 1 24.378 4.504 8.722
2 HA LYS 1 HA LYS 1 22.285 3.665 8.403
3 HB2 LYS 1 1HB LYS 1 20.648 4.134 10.248
4 HB3 LYS 1 2HB LYS 1 22.206 3.523 10.787
5 HG2 LYS 1 1HG LYS 1 22.514 5.295 12.074
6 HG3 LYS 1 2HG LYS 1 22.260 6.387 10.711
7 HD2 LYS 1 1HD LYS 1 20.575 7.004 12.184
8 HD3 LYS 1 2HD LYS 1 19.748 5.893 11.089
9 HE2 LYS 1 1HE LYS 1 20.707 4.200 13.009
10 HE3 LYS 1 2HE LYS 1 20.333 5.643 13.949
11 HZ1 LYS 1 3HZ LYS 1 18.480 3.999 13.708
12 HZ2 LYS 1 1HZ LYS 1 18.408 4.404 12.066
13 HZ3 LYS 1 2HZ LYS 1 18.096 5.580 13.242
14 H LYS 2 H LYS 2 22.933 6.069 6.985
15 HA LYS 2 HA LYS 2 20.241 6.893 6.297
16 HB2 LYS 2 1HB LYS 2 20.711 8.550 7.961
17 HB3 LYS 2 2HB LYS 2 22.317 8.839 7.304
18 HG2 LYS 2 1HG LYS 2 20.859 10.653 6.704
19 HG3 LYS 2 2HG LYS 2 21.287 9.740 5.255
20 HD2 LYS 2 1HD LYS 2 19.140 9.365 4.820
21 HD3 LYS 2 2HD LYS 2 18.921 8.622 6.406
22 HE2 LYS 2 1HE LYS 2 18.702 10.955 7.337
23 HE3 LYS 2 2HE LYS 2 18.643 11.530 5.671
24 HZ1 LYS 2 3HZ LYS 2 16.467 10.970 6.984
25 HZ2 LYS 2 1HZ LYS 2 16.803 9.394 6.469
26 HZ3 LYS 2 2HZ LYS 2 16.594 10.629 5.332
27 H LYS 3 H LYS 3 23.583 8.010 5.727
28 HA LYS 3 HA LYS 3 23.062 7.820 2.839
29 HB2 LYS 3 1HB LYS 3 24.663 9.643 4.526
30 HB3 LYS 3 2HB LYS 3 25.409 9.172 3.005
31 HG2 LYS 3 1HG LYS 3 22.609 9.977 2.760
32 HG3 LYS 3 2HG LYS 3 23.688 11.252 3.332
33 HD2 LYS 3 1HD LYS 3 24.930 9.832 1.174
34 HD3 LYS 3 2HD LYS 3 23.315 10.355 0.688
35 HE2 LYS 3 1HE LYS 3 24.586 12.193 0.127
36 HE3 LYS 3 2HE LYS 3 24.036 12.624 1.745
37 HZ1 LYS 3 3HZ LYS 3 26.546 11.162 1.577
38 HZ2 LYS 3 1HZ LYS 3 26.100 12.434 2.598
39 HZ3 LYS 3 2HZ LYS 3 26.570 12.753 1.005
40 H LYS 4 H LYS 4 25.366 6.948 5.368
41 HA LYS 4 HA LYS 4 27.352 5.776 3.827
42 HB2 LYS 4 1HB LYS 4 26.648 5.883 6.579
43 HB3 LYS 4 2HB LYS 4 26.968 4.200 6.181
44 HG2 LYS 4 1HG LYS 4 29.109 5.160 5.052
45 HG3 LYS 4 2HG LYS 4 28.805 6.546 6.101
46 HD2 LYS 4 1HD LYS 4 28.922 5.171 8.060
47 HD3 LYS 4 2HD LYS 4 28.984 3.701 7.085
48 HE2 LYS 4 1HE LYS 4 31.189 3.897 6.739
49 HE3 LYS 4 2HE LYS 4 31.074 5.627 6.420
50 HZ1 LYS 4 3HZ LYS 4 31.349 6.144 8.627
51 HZ2 LYS 4 1HZ LYS 4 32.346 4.784 8.492
52 HZ3 LYS 4 2HZ LYS 4 30.806 4.640 9.177
53 H ASP 5 H ASP 5 24.226 4.525 4.794
54 HA ASP 5 HA ASP 5 24.766 2.104 3.203
55 HB2 ASP 5 1HB ASP 5 23.374 2.462 5.818
56 HB3 ASP 5 2HB ASP 5 22.778 1.219 4.723
57 H LYS 6 H LYS 6 23.928 2.779 1.274
58 HA LYS 6 HA LYS 6 21.492 4.214 1.012
59 HB2 LYS 6 1HB LYS 6 23.383 2.850 -0.838
60 HB3 LYS 6 2HB LYS 6 21.761 3.178 -1.432
61 HG2 LYS 6 1HG LYS 6 23.492 5.301 -0.205
62 HG3 LYS 6 2HG LYS 6 23.520 4.919 -1.928
63 HD2 LYS 6 1HD LYS 6 20.925 5.502 -0.557
64 HD3 LYS 6 2HD LYS 6 21.979 6.825 -1.057
65 HE2 LYS 6 1HE LYS 6 21.766 6.308 -3.312
66 HE3 LYS 6 2HE LYS 6 21.255 4.653 -2.985
67 HZ1 LYS 6 3HZ LYS 6 19.682 7.065 -3.153
68 HZ2 LYS 6 1HZ LYS 6 19.307 6.095 -1.818
69 HZ3 LYS 6 2HZ LYS 6 19.222 5.453 -3.380
70 H TRP 7 H TRP 7 22.298 0.834 1.193
71 HA TRP 7 HA TRP 7 20.081 -0.347 0.031
72 HB2 TRP 7 2HB TRP 7 21.494 -1.293 2.533
73 HB3 TRP 7 3HB TRP 7 20.536 -2.282 1.435
74 HD1 TRP 7 1HD TRP 7 21.628 -2.823 -0.988
75 HE1 TRP 7 1HE TRP 7 24.088 -2.913 -1.741
76 HE3 TRP 7 3HE TRP 7 23.758 -0.256 2.887
77 HZ2 TRP 7 2HZ TRP 7 26.598 -2.015 -0.815
78 HZ3 TRP 7 3HZ TRP 7 26.194 0.084 2.878
79 HH2 TRP 7 2HH TRP 7 27.584 -0.778 1.065
80 H ALA 8 H ALA 8 20.407 1.184 3.168
81 HA ALA 8 HA ALA 8 18.119 0.264 4.439
82 HB1 ALA 8 3HB ALA 8 18.880 1.620 6.019
83 HB2 ALA 8 1HB ALA 8 20.042 2.287 4.873
84 HB3 ALA 8 2HB ALA 8 18.450 3.028 5.049
85 H SER 9 H SER 9 18.489 2.773 2.002
86 HA SER 9 HA SER 9 15.878 3.846 2.213
87 HB2 SER 9 1HB SER 9 17.731 5.044 1.109
88 HB3 SER 9 2HB SER 9 17.745 3.833 -0.173
89 HG SER 9 HG SER 9 16.280 6.013 -0.043
90 H LEU 10 H LEU 10 17.280 1.294 0.210
91 HA LEU 10 HA LEU 10 14.913 0.830 -1.308
92 HB2 LEU 10 1HB LEU 10 17.488 0.136 -1.625
93 HB3 LEU 10 2HB LEU 10 16.859 -1.365 -0.950
94 HG LEU 10 HG LEU 10 15.314 -0.237 -3.193
95 HD11 LEU 10 1HD1 LEU 10 16.824 -0.746 -4.900
96 HD12 LEU 10 2HD1 LEU 10 17.914 -1.599 -3.807
97 HD13 LEU 10 3HD1 LEU 10 17.784 0.158 -3.728
98 HD21 LEU 10 3HD2 LEU 10 16.399 -3.006 -3.019
99 HD22 LEU 10 1HD2 LEU 10 14.847 -2.438 -3.634
100 HD23 LEU 10 2HD2 LEU 10 15.134 -2.509 -1.895
101 H TRP 11 H TRP 11 16.271 -0.523 1.640
102 HA TRP 11 HA TRP 11 14.556 -2.738 1.885
103 HB2 TRP 11 2HB TRP 11 16.563 -2.575 3.229
104 HB3 TRP 11 3HB TRP 11 15.972 -1.107 4.003
105 HD1 TRP 11 1HD TRP 11 14.152 -1.377 5.929
106 HE1 TRP 11 1HE TRP 11 13.396 -3.405 7.323
107 HE3 TRP 11 3HE TRP 11 16.175 -5.117 3.089
108 HZ2 TRP 11 2HZ TRP 11 13.627 -6.217 7.231
109 HZ3 TRP 11 3HZ TRP 11 15.862 -7.447 3.812
110 HH2 TRP 11 2HH TRP 11 14.615 -7.985 5.841
111 H ASN 12 H ASN 12 14.171 0.642 2.729
112 HA ASN 12 HA ASN 12 11.857 0.334 4.341
113 HB2 ASN 12 1HB ASN 12 13.420 2.532 3.230
114 HB3 ASN 12 2HB ASN 12 11.694 2.877 3.241
115 HD21 ASN 12 2HD2 ASN 12 10.574 2.838 5.234
116 HD22 ASN 12 1HD2 ASN 12 11.415 3.074 6.725
117 H TRP 13 H TRP 13 12.391 0.625 0.902
118 HA TRP 13 HA TRP 13 9.822 1.334 0.067
119 HB2 TRP 13 2HB TRP 13 11.908 1.213 -1.355
120 HB3 TRP 13 3HB TRP 13 11.679 -0.532 -1.414
121 HD1 TRP 13 1HD TRP 13 10.035 2.732 -2.616
122 HE1 TRP 13 1HE TRP 13 8.497 2.179 -4.604
123 HE3 TRP 13 3HE TRP 13 10.372 -2.369 -2.510
124 HZ2 TRP 13 2HZ TRP 13 7.550 -0.115 -5.948
125 HZ3 TRP 13 3HZ TRP 13 9.119 -3.668 -4.182
126 HH2 TRP 13 2HH TRP 13 7.737 -2.563 -5.864
127 H PHE 14 H PHE 14 11.012 -1.613 1.380
128 HA PHE 14 HA PHE 14 9.353 -3.531 0.297
129 HB2 PHE 14 2HB PHE 14 11.110 -4.141 1.835
130 HB3 PHE 14 3HB PHE 14 10.339 -3.248 3.141
131 HD1 PHE 14 1HD PHE 14 9.174 -5.790 0.667
132 HD2 PHE 14 2HD PHE 14 9.509 -4.644 4.752
133 HE1 PHE 14 1HE PHE 14 7.961 -7.824 1.333
134 HE2 PHE 14 2HE PHE 14 8.298 -6.677 5.426
135 HZ PHE 14 HZ PHE 14 7.523 -8.271 3.716
136 H ASP 15 H ASP 15 8.708 -1.666 3.270
137 HA ASP 15 HA ASP 15 6.108 -2.569 3.690
138 HB2 ASP 15 1HB ASP 15 7.459 -1.276 5.334
139 HB3 ASP 15 2HB ASP 15 7.198 0.171 4.366
140 H ILE 16 H ILE 16 7.308 0.074 1.692
141 HA ILE 16 HA ILE 16 4.771 1.174 1.062
142 HB ILE 16 HB ILE 16 7.442 1.365 -0.319
143 HG12 ILE 16 1HG1 ILE 16 7.073 3.807 0.482
144 HG13 ILE 16 2HG1 ILE 16 5.851 3.110 1.540
145 HG21 ILE 16 1HG2 ILE 16 4.773 2.273 -1.199
146 HG22 ILE 16 2HG2 ILE 16 6.096 3.426 -1.366
147 HG23 ILE 16 3HG2 ILE 16 6.198 1.849 -2.147
148 HD11 ILE 16 3HD1 ILE 16 8.695 2.153 1.486
149 HD12 ILE 16 1HD1 ILE 16 8.131 3.447 2.543
150 HD13 ILE 16 2HD1 ILE 16 7.455 1.825 2.695
151 H THR 17 H THR 17 6.633 -1.470 -0.223
152 HA THR 17 HA THR 17 5.552 -1.761 -2.756
153 HB THR 17 HB THR 17 6.000 -4.207 -1.094
154 HG1 THR 17 1HG THR 17 8.313 -3.827 -1.537
155 HG21 THR 17 3HG2 THR 17 6.451 -3.350 -3.929
156 HG22 THR 17 1HG2 THR 17 5.581 -4.755 -3.313
157 HG23 THR 17 2HG2 THR 17 7.344 -4.715 -3.259
158 H ASN 18 H ASN 18 4.314 -2.996 0.336
159 HA ASN 18 HA ASN 18 1.954 -4.089 -0.935
160 HB2 ASN 18 1HB ASN 18 3.345 -4.635 1.422
161 HB3 ASN 18 2HB ASN 18 1.826 -3.922 1.962
162 HD21 ASN 18 2HD2 ASN 18 3.319 -6.737 1.180
163 HD22 ASN 18 1HD2 ASN 18 1.935 -7.708 0.820
164 H TRP 19 H TRP 19 2.889 -1.216 0.781
165 HA TRP 19 HA TRP 19 0.461 -0.255 1.686
166 HB2 TRP 19 2HB TRP 19 2.548 0.869 2.205
167 HB3 TRP 19 3HB TRP 19 2.786 1.281 0.508
168 HD1 TRP 19 1HD TRP 19 -0.020 1.934 3.130
169 HE1 TRP 19 1HE TRP 19 -0.787 4.376 2.862
170 HE3 TRP 19 3HE TRP 19 3.022 3.319 -0.738
171 HZ2 TRP 19 2HZ TRP 19 -0.182 6.596 1.226
172 HZ3 TRP 19 3HZ TRP 19 2.865 5.619 -1.596
173 HH2 TRP 19 2HH TRP 19 1.295 7.223 -0.633
174 H LEU 20 H LEU 20 1.975 0.471 -1.465
175 HA LEU 20 HA LEU 20 -0.165 1.895 -2.547
176 HB2 LEU 20 1HB LEU 20 2.258 0.595 -3.545
177 HB3 LEU 20 2HB LEU 20 0.955 0.675 -4.729
178 HG LEU 20 HG LEU 20 1.394 3.219 -3.388
179 HD11 LEU 20 1HD1 LEU 20 3.527 3.600 -4.772
180 HD12 LEU 20 2HD1 LEU 20 3.689 1.845 -4.734
181 HD13 LEU 20 3HD1 LEU 20 3.667 2.761 -3.227
182 HD21 LEU 20 3HD2 LEU 20 1.632 2.514 -6.303
183 HD22 LEU 20 1HD2 LEU 20 1.211 4.069 -5.586
184 HD23 LEU 20 2HD2 LEU 20 0.081 2.719 -5.490
185 H TRP 21 H TRP 21 0.301 -1.513 -2.137
186 HA TRP 21 HA TRP 21 -1.755 -2.275 -4.010
187 HB2 TRP 21 2HB TRP 21 0.362 -3.589 -2.739
188 HB3 TRP 21 3HB TRP 21 -1.092 -4.315 -2.059
189 HD1 TRP 21 1HD TRP 21 0.738 -3.867 -5.406
190 HE1 TRP 21 1HE TRP 21 -0.142 -5.633 -7.058
191 HE3 TRP 21 3HE TRP 21 -3.065 -5.792 -2.584
192 HZ2 TRP 21 2HZ TRP 21 -2.180 -7.585 -7.152
193 HZ3 TRP 21 3HZ TRP 21 -4.433 -7.606 -3.528
194 HH2 TRP 21 2HH TRP 21 -3.998 -8.482 -5.766
195 H TYR 22 H TYR 22 -1.537 -1.496 -0.640
196 HA TYR 22 HA TYR 22 -4.061 -2.694 0.065
197 HB2 TYR 22 2HB TYR 22 -2.146 -2.397 1.669
198 HB3 TYR 22 3HB TYR 22 -2.462 -0.665 1.637
199 HD1 TYR 22 1HD TYR 22 -4.686 0.178 2.468
200 HD2 TYR 22 2HD TYR 22 -3.411 -3.840 3.044
201 HE1 TYR 22 1HE TYR 22 -6.355 -0.088 4.256
202 HE2 TYR 22 2HE TYR 22 -5.077 -4.118 4.833
203 HH TYR 22 HH TYR 22 -6.977 -3.200 5.738
204 H ILE 23 H ILE 23 -2.853 0.557 -0.621
205 HA ILE 23 HA ILE 23 -5.175 1.987 0.019
206 HB ILE 23 HB ILE 23 -4.307 3.763 -1.435
207 HG12 ILE 23 1HG1 ILE 23 -2.132 1.796 -2.177
208 HG13 ILE 23 2HG1 ILE 23 -3.474 2.232 -3.229
209 HG21 ILE 23 1HG2 ILE 23 -3.140 2.732 0.852
210 HG22 ILE 23 2HG2 ILE 23 -1.781 2.995 -0.239
211 HG23 ILE 23 3HG2 ILE 23 -2.860 4.330 0.163
212 HD11 ILE 23 3HD1 ILE 23 -2.684 4.402 -3.528
213 HD12 ILE 23 1HD1 ILE 23 -1.621 4.307 -2.124
214 HD13 ILE 23 2HD1 ILE 23 -1.236 3.399 -3.587
215 H LYS 24 H LYS 24 -4.377 0.025 -2.720
216 HA LYS 24 HA LYS 24 -6.360 1.099 -4.483
217 HB2 LYS 24 1HB LYS 24 -4.667 -1.389 -4.502
218 HB3 LYS 24 2HB LYS 24 -5.921 -1.129 -5.709
219 HG2 LYS 24 1HG LYS 24 -4.834 0.888 -6.464
220 HG3 LYS 24 2HG LYS 24 -3.624 0.747 -5.186
221 HD2 LYS 24 1HD LYS 24 -3.143 -1.573 -6.233
222 HD3 LYS 24 2HD LYS 24 -3.985 -0.928 -7.644
223 HE2 LYS 24 1HE LYS 24 -2.002 0.907 -6.551
224 HE3 LYS 24 2HE LYS 24 -1.308 -0.626 -7.075
225 HZ1 LYS 24 3HZ LYS 24 -2.956 -0.018 -9.112
226 HZ2 LYS 24 1HZ LYS 24 -1.301 0.334 -9.078
227 HZ3 LYS 24 2HZ LYS 24 -2.428 1.519 -8.644
228 H LEU 25 H LEU 25 -6.128 -2.034 -2.785
229 HA LEU 25 HA LEU 25 -8.774 -2.822 -3.327
230 HB2 LEU 25 1HB LEU 25 -8.419 -4.421 -1.431
231 HB3 LEU 25 2HB LEU 25 -7.214 -4.488 -2.716
232 HG LEU 25 HG LEU 25 -6.006 -2.792 -0.984
233 HD11 LEU 25 1HD1 LEU 25 -7.973 -3.242 0.589
234 HD12 LEU 25 2HD1 LEU 25 -6.344 -3.396 1.246
235 HD13 LEU 25 3HD1 LEU 25 -7.259 -4.839 0.814
236 HD21 LEU 25 3HD2 LEU 25 -5.146 -4.875 -2.094
237 HD22 LEU 25 1HD2 LEU 25 -5.836 -5.789 -0.752
238 HD23 LEU 25 2HD2 LEU 25 -4.565 -4.604 -0.451
239 H PHE 26 H PHE 26 -7.342 -1.020 -0.664
240 HA PHE 26 HA PHE 26 -9.405 -1.050 1.168
241 HB2 PHE 26 2HB PHE 26 -7.303 -0.034 1.737
242 HB3 PHE 26 3HB PHE 26 -7.482 1.172 0.467
243 HD1 PHE 26 2HD PHE 26 -9.072 -0.023 3.609
244 HD2 PHE 26 1HD PHE 26 -8.404 3.238 0.955
245 HE1 PHE 26 2HE PHE 26 -10.146 1.501 5.215
246 HE2 PHE 26 1HE PHE 26 -9.475 4.767 2.558
247 HZ PHE 26 HZ PHE 26 -10.350 3.898 4.690
248 H ILE 27 H ILE 27 -8.854 1.540 -1.226
249 HA ILE 27 HA ILE 27 -11.282 2.854 -0.843
250 HB ILE 27 HB ILE 27 -9.665 2.698 -3.390
251 HG12 ILE 27 1HG1 ILE 27 -8.368 3.477 -1.436
252 HG13 ILE 27 2HG1 ILE 27 -8.604 4.755 -2.624
253 HG21 ILE 27 1HG2 ILE 27 -10.733 4.852 -3.925
254 HG22 ILE 27 2HG2 ILE 27 -11.897 3.533 -3.810
255 HG23 ILE 27 3HG2 ILE 27 -11.742 4.688 -2.488
256 HD11 ILE 27 3HD1 ILE 27 -10.460 5.627 -1.243
257 HD12 ILE 27 1HD1 ILE 27 -10.081 4.406 -0.029
258 HD13 ILE 27 2HD1 ILE 27 -8.897 5.653 -0.425
259 H MET 28 H MET 28 -10.532 -0.024 -2.635
260 HA MET 28 HA MET 28 -12.873 -0.034 -4.264
261 HB2 MET 28 1HB MET 28 -10.736 -1.308 -4.717
262 HB3 MET 28 2HB MET 28 -11.222 -2.426 -3.449
263 HG2 MET 28 1HG MET 28 -13.451 -2.412 -4.967
264 HG3 MET 28 2HG MET 28 -12.221 -2.123 -6.195
265 HE1 MET 28 3HE MET 28 -12.572 -4.832 -2.971
266 HE2 MET 28 1HE MET 28 -13.974 -4.272 -3.883
267 HE3 MET 28 2HE MET 28 -13.359 -5.907 -4.128
268 H ILE 29 H ILE 29 -12.036 -1.361 -1.113
269 HA ILE 29 HA ILE 29 -14.506 -2.814 -0.845
270 HB ILE 29 HB ILE 29 -12.437 -2.121 1.244
271 HG12 ILE 29 1HG1 ILE 29 -12.666 -4.900 0.358
272 HG13 ILE 29 2HG1 ILE 29 -12.176 -3.805 -0.930
273 HG21 ILE 29 1HG2 ILE 29 -13.957 -2.837 2.703
274 HG22 ILE 29 2HG2 ILE 29 -15.044 -3.359 1.417
275 HG23 ILE 29 3HG2 ILE 29 -13.771 -4.438 1.988
276 HD11 ILE 29 3HD1 ILE 29 -10.560 -3.001 1.093
277 HD12 ILE 29 1HD1 ILE 29 -10.707 -4.727 1.423
278 HD13 ILE 29 2HD1 ILE 29 -10.120 -4.178 -0.146
279 H VAL 30 H VAL 30 -13.242 0.299 0.171
280 HA VAL 30 HA VAL 30 -15.190 0.987 2.059
281 HB VAL 30 HB VAL 30 -13.712 2.834 0.178
282 HG11 VAL 30 1HG1 VAL 30 -15.460 3.287 2.545
283 HG12 VAL 30 2HG1 VAL 30 -14.079 4.356 2.291
284 HG13 VAL 30 3HG1 VAL 30 -15.324 4.210 1.049
285 HG21 VAL 30 3HG2 VAL 30 -12.697 1.163 2.169
286 HG22 VAL 30 1HG2 VAL 30 -11.875 2.515 1.389
287 HG23 VAL 30 2HG2 VAL 30 -12.755 2.768 2.896
288 H GLY 31 H GLY 31 -15.112 1.475 -1.457
289 HA2 GLY 31 1HA GLY 31 -17.383 3.017 -1.783
290 HA3 GLY 31 2HA GLY 31 -16.811 1.841 -2.958
291 H LYS 32 H LYS 32 -17.148 -0.407 -1.099
292 HA LYS 32 HA LYS 32 -19.740 -1.187 -1.812
293 HB2 LYS 32 1HB LYS 32 -17.958 -2.257 0.384
294 HB3 LYS 32 2HB LYS 32 -19.399 -3.062 -0.225
295 HG2 LYS 32 1HG LYS 32 -17.075 -2.355 -1.992
296 HG3 LYS 32 2HG LYS 32 -17.178 -3.881 -1.111
297 HD2 LYS 32 1HD LYS 32 -19.654 -3.411 -2.458
298 HD3 LYS 32 2HD LYS 32 -18.328 -3.222 -3.608
299 HE2 LYS 32 1HE LYS 32 -17.458 -5.436 -2.556
300 HE3 LYS 32 2HE LYS 32 -19.122 -5.618 -2.001
301 HZ1 LYS 32 3HZ LYS 32 -18.954 -6.721 -4.066
302 HZ2 LYS 32 1HZ LYS 32 -18.160 -5.419 -4.797
303 HZ3 LYS 32 2HZ LYS 32 -19.791 -5.284 -4.376
304 H LYS 33 H LYS 33 -18.478 0.230 1.162
305 HA LYS 33 HA LYS 33 -21.060 0.086 2.471
306 HB2 LYS 33 1HB LYS 33 -18.539 1.479 3.387
307 HB3 LYS 33 2HB LYS 33 -19.945 1.101 4.372
308 HG2 LYS 33 1HG LYS 33 -18.673 -0.651 4.986
309 HG3 LYS 33 2HG LYS 33 -19.340 -1.362 3.515
310 HD2 LYS 33 1HD LYS 33 -17.307 -1.521 2.631
311 HD3 LYS 33 2HD LYS 33 -17.043 0.210 2.850
312 HE2 LYS 33 1HE LYS 33 -16.752 -1.676 5.157
313 HE3 LYS 33 2HE LYS 33 -15.442 -1.484 3.993
314 HZ1 LYS 33 3HZ LYS 33 -15.941 1.049 4.500
315 HZ2 LYS 33 1HZ LYS 33 -14.873 0.137 5.444
316 HZ3 LYS 33 2HZ LYS 33 -16.458 0.400 5.974
317 H LYS 34 H LYS 34 -18.968 2.534 1.024
318 HA LYS 34 HA LYS 34 -20.349 4.828 1.765
319 HB2 LYS 34 1HB LYS 34 -18.349 4.102 -0.197
320 HB3 LYS 34 2HB LYS 34 -19.470 5.285 -0.857
321 HG2 LYS 34 1HG LYS 34 -18.958 6.355 1.582
322 HG3 LYS 34 2HG LYS 34 -17.417 5.580 1.211
323 HD2 LYS 34 1HD LYS 34 -17.137 7.672 0.271
324 HD3 LYS 34 2HD LYS 34 -17.705 6.729 -1.109
325 HE2 LYS 34 1HE LYS 34 -19.948 7.568 -0.811
326 HE3 LYS 34 2HE LYS 34 -19.475 8.409 0.664
327 HZ1 LYS 34 3HZ LYS 34 -18.456 8.995 -2.064
328 HZ2 LYS 34 1HZ LYS 34 -17.994 9.798 -0.649
329 HZ3 LYS 34 2HZ LYS 34 -19.585 9.921 -1.210
330 H LYS 35 H LYS 35 -21.037 2.489 -0.751
331 HA LYS 35 HA LYS 35 -23.411 4.049 -1.524
332 HB2 LYS 35 1HB LYS 35 -21.859 1.936 -3.021
333 HB3 LYS 35 2HB LYS 35 -23.407 2.567 -3.566
334 HG2 LYS 35 1HG LYS 35 -22.526 4.537 -4.239
335 HG3 LYS 35 2HG LYS 35 -21.312 4.559 -2.958
336 HD2 LYS 35 1HD LYS 35 -20.702 2.365 -4.621
337 HD3 LYS 35 2HD LYS 35 -21.046 3.730 -5.686
338 HE2 LYS 35 1HE LYS 35 -19.481 5.081 -4.216
339 HE3 LYS 35 2HE LYS 35 -18.994 3.548 -3.493
340 HZ1 LYS 35 3HZ LYS 35 -17.454 3.979 -5.189
341 HZ2 LYS 35 1HZ LYS 35 -18.649 4.432 -6.297
342 HZ3 LYS 35 2HZ LYS 35 -18.492 2.812 -5.839
343 H LYS 36 H LYS 36 -25.384 3.266 -1.115
344 HA LYS 36 HA LYS 36 -25.582 0.670 0.205
345 HB2 LYS 36 1HB LYS 36 -26.600 2.702 1.236
346 HB3 LYS 36 2HB LYS 36 -27.699 2.800 -0.133
347 HG2 LYS 36 1HG LYS 36 -28.811 1.771 1.738
348 HG3 LYS 36 2HG LYS 36 -28.591 0.582 0.452
349 HD2 LYS 36 1HD LYS 36 -26.298 0.461 2.098
350 HD3 LYS 36 2HD LYS 36 -27.704 0.481 3.167
351 HE2 LYS 36 1HE LYS 36 -27.829 -1.290 0.794
352 HE3 LYS 36 2HE LYS 36 -26.731 -1.762 2.088
353 HZ1 LYS 36 3HZ LYS 36 -29.319 -2.391 2.038
354 HZ2 LYS 36 1HZ LYS 36 -29.385 -0.958 2.935
355 HZ3 LYS 36 2HZ LYS 36 -28.422 -2.244 3.464
Start of MODEL 11
1 H1 LYS 1 H LYS 1 27.594 14.509 -0.034
2 HA LYS 1 HA LYS 1 26.170 11.973 -0.305
3 HB2 LYS 1 1HB LYS 1 29.126 12.571 -0.079
4 HB3 LYS 1 2HB LYS 1 28.437 10.970 -0.311
5 HG2 LYS 1 1HG LYS 1 28.157 11.283 -2.502
6 HG3 LYS 1 2HG LYS 1 27.533 12.920 -2.283
7 HD2 LYS 1 1HD LYS 1 29.537 13.857 -2.667
8 HD3 LYS 1 2HD LYS 1 30.390 12.648 -1.703
9 HE2 LYS 1 1HE LYS 1 29.830 11.087 -3.732
10 HE3 LYS 1 2HE LYS 1 29.670 12.613 -4.601
11 HZ1 LYS 1 3HZ LYS 1 32.052 12.376 -2.975
12 HZ2 LYS 1 1HZ LYS 1 31.869 12.966 -4.550
13 HZ3 LYS 1 2HZ LYS 1 31.977 11.300 -4.278
14 H LYS 2 H LYS 2 25.031 12.144 1.709
15 HA LYS 2 HA LYS 2 26.702 11.349 3.993
16 HB2 LYS 2 1HB LYS 2 26.143 13.641 4.424
17 HB3 LYS 2 2HB LYS 2 24.460 13.371 3.995
18 HG2 LYS 2 1HG LYS 2 24.721 13.553 6.397
19 HG3 LYS 2 2HG LYS 2 24.189 11.930 5.950
20 HD2 LYS 2 1HD LYS 2 25.949 11.053 6.986
21 HD3 LYS 2 2HD LYS 2 27.037 11.983 5.952
22 HE2 LYS 2 1HE LYS 2 27.402 13.558 7.533
23 HE3 LYS 2 2HE LYS 2 25.751 13.479 8.144
24 HZ1 LYS 2 3HZ LYS 2 26.615 11.128 8.944
25 HZ2 LYS 2 1HZ LYS 2 26.822 12.526 9.875
26 HZ3 LYS 2 2HZ LYS 2 28.099 11.940 8.933
27 H LYS 3 H LYS 3 26.179 9.211 3.942
28 HA LYS 3 HA LYS 3 23.630 8.454 4.984
29 HB2 LYS 3 1HB LYS 3 23.768 8.622 2.201
30 HB3 LYS 3 2HB LYS 3 23.964 6.909 2.548
31 HG2 LYS 3 1HG LYS 3 21.793 6.699 2.902
32 HG3 LYS 3 2HG LYS 3 21.844 7.943 4.153
33 HD2 LYS 3 1HD LYS 3 20.293 8.706 2.542
34 HD3 LYS 3 2HD LYS 3 21.767 9.641 2.273
35 HE2 LYS 3 1HE LYS 3 21.288 9.047 0.122
36 HE3 LYS 3 2HE LYS 3 22.287 7.674 0.592
37 HZ1 LYS 3 3HZ LYS 3 20.042 6.642 1.274
38 HZ2 LYS 3 1HZ LYS 3 20.462 6.676 -0.365
39 HZ3 LYS 3 2HZ LYS 3 19.366 7.807 0.251
40 H LYS 4 H LYS 4 24.229 7.019 6.457
41 HA LYS 4 HA LYS 4 26.660 5.636 6.485
42 HB2 LYS 4 1HB LYS 4 24.199 5.665 8.075
43 HB3 LYS 4 2HB LYS 4 25.006 4.103 8.066
44 HG2 LYS 4 1HG LYS 4 27.025 5.071 8.917
45 HG3 LYS 4 2HG LYS 4 26.361 6.698 8.760
46 HD2 LYS 4 1HD LYS 4 25.060 6.494 10.617
47 HD3 LYS 4 2HD LYS 4 24.822 4.758 10.391
48 HE2 LYS 4 1HE LYS 4 26.622 4.228 11.634
49 HE3 LYS 4 2HE LYS 4 27.587 5.549 10.978
50 HZ1 LYS 4 3HZ LYS 4 25.400 6.129 12.861
51 HZ2 LYS 4 1HZ LYS 4 26.805 7.018 12.548
52 HZ3 LYS 4 2HZ LYS 4 26.891 5.589 13.449
53 H ASP 5 H ASP 5 23.392 4.426 5.739
54 HA ASP 5 HA ASP 5 24.652 2.280 4.167
55 HB2 ASP 5 1HB ASP 5 23.269 1.866 6.514
56 HB3 ASP 5 2HB ASP 5 22.033 1.601 5.288
57 H LYS 6 H LYS 6 23.952 2.108 2.134
58 HA LYS 6 HA LYS 6 21.907 3.926 1.199
59 HB2 LYS 6 1HB LYS 6 24.091 2.377 0.022
60 HB3 LYS 6 2HB LYS 6 22.632 2.363 -0.961
61 HG2 LYS 6 1HG LYS 6 23.779 4.921 0.099
62 HG3 LYS 6 2HG LYS 6 24.361 4.192 -1.399
63 HD2 LYS 6 1HD LYS 6 21.427 4.553 -1.039
64 HD3 LYS 6 2HD LYS 6 22.413 5.971 -1.403
65 HE2 LYS 6 1HE LYS 6 22.616 5.374 -3.539
66 HE3 LYS 6 2HE LYS 6 23.116 3.741 -3.099
67 HZ1 LYS 6 3HZ LYS 6 20.589 4.659 -4.038
68 HZ2 LYS 6 1HZ LYS 6 20.428 3.820 -2.578
69 HZ3 LYS 6 2HZ LYS 6 21.173 3.077 -3.902
70 H TRP 7 H TRP 7 22.359 0.438 1.510
71 HA TRP 7 HA TRP 7 20.043 -0.378 0.153
72 HB2 TRP 7 2HB TRP 7 21.940 -1.595 2.065
73 HB3 TRP 7 3HB TRP 7 20.341 -2.334 2.010
74 HD1 TRP 7 1HD TRP 7 23.411 -1.691 -0.208
75 HE1 TRP 7 1HE TRP 7 23.338 -3.330 -2.192
76 HE3 TRP 7 3HE TRP 7 18.803 -3.748 0.609
77 HZ2 TRP 7 2HZ TRP 7 21.561 -5.242 -3.268
78 HZ3 TRP 7 3HZ TRP 7 17.990 -5.475 -0.944
79 HH2 TRP 7 2HH TRP 7 19.342 -6.205 -2.842
80 H ALA 8 H ALA 8 20.513 0.933 3.331
81 HA ALA 8 HA ALA 8 18.154 0.035 4.568
82 HB1 ALA 8 3HB ALA 8 19.911 0.988 5.889
83 HB2 ALA 8 1HB ALA 8 19.785 2.526 5.035
84 HB3 ALA 8 2HB ALA 8 18.470 1.987 6.081
85 H SER 9 H SER 9 18.827 2.861 2.556
86 HA SER 9 HA SER 9 16.366 4.168 2.901
87 HB2 SER 9 1HB SER 9 18.358 5.233 1.890
88 HB3 SER 9 2HB SER 9 18.171 4.206 0.469
89 HG SER 9 HG SER 9 16.580 6.344 1.347
90 H LEU 10 H LEU 10 17.410 1.712 0.585
91 HA LEU 10 HA LEU 10 14.944 1.723 -0.870
92 HB2 LEU 10 1HB LEU 10 17.365 0.929 -1.544
93 HB3 LEU 10 2HB LEU 10 16.793 -0.611 -0.907
94 HG LEU 10 HG LEU 10 15.069 0.748 -2.899
95 HD11 LEU 10 1HD1 LEU 10 17.682 -0.572 -3.608
96 HD12 LEU 10 2HD1 LEU 10 17.229 1.106 -3.903
97 HD13 LEU 10 3HD1 LEU 10 16.397 -0.196 -4.755
98 HD21 LEU 10 3HD2 LEU 10 15.237 -1.762 -1.671
99 HD22 LEU 10 1HD2 LEU 10 15.697 -2.018 -3.354
100 HD23 LEU 10 2HD2 LEU 10 14.147 -1.270 -2.968
101 H TRP 11 H TRP 11 16.241 -0.031 1.855
102 HA TRP 11 HA TRP 11 14.563 -2.241 1.920
103 HB2 TRP 11 2HB TRP 11 16.512 -1.849 3.431
104 HB3 TRP 11 3HB TRP 11 15.541 -0.678 4.319
105 HD1 TRP 11 1HD TRP 11 15.635 -4.460 3.541
106 HE1 TRP 11 1HE TRP 11 14.417 -5.699 5.441
107 HE3 TRP 11 3HE TRP 11 13.926 -0.427 6.176
108 HZ2 TRP 11 2HZ TRP 11 12.929 -5.051 7.750
109 HZ3 TRP 11 3HZ TRP 11 12.612 -0.822 8.219
110 HH2 TRP 11 2HH TRP 11 12.125 -3.088 8.987
111 H ASN 12 H ASN 12 13.957 1.078 2.882
112 HA ASN 12 HA ASN 12 11.564 0.650 4.303
113 HB2 ASN 12 1HB ASN 12 13.140 2.823 3.793
114 HB3 ASN 12 2HB ASN 12 11.739 3.168 2.784
115 HD21 ASN 12 2HD2 ASN 12 10.405 4.480 3.775
116 HD22 ASN 12 1HD2 ASN 12 9.984 4.438 5.451
117 H TRP 13 H TRP 13 12.278 0.808 0.907
118 HA TRP 13 HA TRP 13 9.751 1.402 -0.122
119 HB2 TRP 13 2HB TRP 13 11.924 1.254 -1.406
120 HB3 TRP 13 3HB TRP 13 11.739 -0.498 -1.375
121 HD1 TRP 13 1HD TRP 13 10.100 2.648 -2.867
122 HE1 TRP 13 1HE TRP 13 8.701 1.942 -4.908
123 HE3 TRP 13 3HE TRP 13 10.544 -2.427 -2.438
124 HZ2 TRP 13 2HZ TRP 13 7.892 -0.449 -6.170
125 HZ3 TRP 13 3HZ TRP 13 9.426 -3.853 -4.104
126 HH2 TRP 13 2HH TRP 13 8.127 -2.883 -5.930
127 H PHE 14 H PHE 14 10.921 -1.433 1.431
128 HA PHE 14 HA PHE 14 9.376 -3.452 0.365
129 HB2 PHE 14 2HB PHE 14 11.036 -3.953 2.031
130 HB3 PHE 14 3HB PHE 14 10.202 -2.971 3.231
131 HD1 PHE 14 2HD PHE 14 9.058 -5.635 0.884
132 HD2 PHE 14 1HD PHE 14 9.402 -4.308 4.913
133 HE1 PHE 14 2HE PHE 14 7.819 -7.621 1.640
134 HE2 PHE 14 1HE PHE 14 8.166 -6.292 5.676
135 HZ PHE 14 HZ PHE 14 7.371 -7.952 4.039
136 H ASP 15 H ASP 15 8.506 -1.436 3.177
137 HA ASP 15 HA ASP 15 5.905 -2.379 3.490
138 HB2 ASP 15 1HB ASP 15 7.164 -0.935 5.111
139 HB3 ASP 15 2HB ASP 15 6.839 0.440 4.058
140 H ILE 16 H ILE 16 7.169 0.174 1.418
141 HA ILE 16 HA ILE 16 4.654 1.170 0.569
142 HB ILE 16 HB ILE 16 7.401 1.349 -0.655
143 HG12 ILE 16 1HG1 ILE 16 6.930 3.823 -0.024
144 HG13 ILE 16 2HG1 ILE 16 5.659 3.158 0.997
145 HG21 ILE 16 1HG2 ILE 16 6.261 1.694 -2.581
146 HG22 ILE 16 2HG2 ILE 16 4.773 2.137 -1.748
147 HG23 ILE 16 3HG2 ILE 16 6.077 3.312 -1.904
148 HD11 ILE 16 3HD1 ILE 16 7.861 3.610 2.117
149 HD12 ILE 16 1HD1 ILE 16 7.215 1.983 2.323
150 HD13 ILE 16 2HD1 ILE 16 8.522 2.274 1.174
151 H THR 17 H THR 17 6.649 -1.495 -0.441
152 HA THR 17 HA THR 17 5.734 -1.958 -3.014
153 HB THR 17 HB THR 17 6.133 -4.292 -1.186
154 HG1 THR 17 1HG THR 17 8.433 -3.903 -1.416
155 HG21 THR 17 3HG2 THR 17 6.739 -3.590 -4.035
156 HG22 THR 17 1HG2 THR 17 5.864 -4.979 -3.391
157 HG23 THR 17 2HG2 THR 17 7.618 -4.891 -3.232
158 H ASN 18 H ASN 18 4.382 -3.190 0.042
159 HA ASN 18 HA ASN 18 2.103 -4.332 -1.316
160 HB2 ASN 18 1HB ASN 18 3.386 -4.775 1.136
161 HB3 ASN 18 2HB ASN 18 1.801 -4.132 1.556
162 HD21 ASN 18 2HD2 ASN 18 0.812 -5.922 2.270
163 HD22 ASN 18 1HD2 ASN 18 0.542 -7.340 1.320
164 H TRP 19 H TRP 19 2.901 -1.388 0.326
165 HA TRP 19 HA TRP 19 0.437 -0.454 1.148
166 HB2 TRP 19 2HB TRP 19 2.601 0.697 1.543
167 HB3 TRP 19 3HB TRP 19 2.623 1.189 -0.148
168 HD1 TRP 19 1HD TRP 19 -0.359 1.386 2.321
169 HE1 TRP 19 1HE TRP 19 -1.138 3.836 2.429
170 HE3 TRP 19 3HE TRP 19 3.202 3.501 -0.674
171 HZ2 TRP 19 2HZ TRP 19 -0.348 6.336 1.382
172 HZ3 TRP 19 3HZ TRP 19 3.119 5.928 -1.071
173 HH2 TRP 19 2HH TRP 19 1.381 7.314 -0.064
174 H LEU 20 H LEU 20 1.912 -0.184 -2.073
175 HA LEU 20 HA LEU 20 -0.138 1.293 -3.282
176 HB2 LEU 20 1HB LEU 20 2.223 -0.137 -4.103
177 HB3 LEU 20 2HB LEU 20 0.910 -0.400 -5.248
178 HG LEU 20 HG LEU 20 0.836 2.314 -4.901
179 HD11 LEU 20 1HD1 LEU 20 3.084 1.850 -3.623
180 HD12 LEU 20 2HD1 LEU 20 2.921 3.235 -4.704
181 HD13 LEU 20 3HD1 LEU 20 3.741 1.774 -5.258
182 HD21 LEU 20 3HD2 LEU 20 0.628 1.380 -7.041
183 HD22 LEU 20 1HD2 LEU 20 2.187 0.564 -6.932
184 HD23 LEU 20 2HD2 LEU 20 2.120 2.318 -7.106
185 H TRP 21 H TRP 21 0.140 -2.097 -2.546
186 HA TRP 21 HA TRP 21 -2.068 -2.873 -4.235
187 HB2 TRP 21 2HB TRP 21 0.046 -4.214 -2.962
188 HB3 TRP 21 3HB TRP 21 -1.421 -4.809 -2.189
189 HD1 TRP 21 1HD TRP 21 0.448 -4.856 -5.506
190 HE1 TRP 21 1HE TRP 21 -0.642 -6.601 -7.052
191 HE3 TRP 21 3HE TRP 21 -3.683 -5.956 -2.702
192 HZ2 TRP 21 2HZ TRP 21 -2.949 -8.227 -7.080
193 HZ3 TRP 21 3HZ TRP 21 -5.283 -7.616 -3.560
194 HH2 TRP 21 2HH TRP 21 -4.922 -8.727 -5.705
195 H TYR 22 H TYR 22 -1.592 -1.840 -0.964
196 HA TYR 22 HA TYR 22 -4.119 -2.833 -0.002
197 HB2 TYR 22 2HB TYR 22 -2.322 -2.629 1.586
198 HB3 TYR 22 3HB TYR 22 -2.094 -0.930 1.188
199 HD1 TYR 22 1HD TYR 22 -4.591 -3.298 2.611
200 HD2 TYR 22 2HD TYR 22 -3.191 0.715 2.425
201 HE1 TYR 22 1HE TYR 22 -6.151 -2.677 4.409
202 HE2 TYR 22 2HE TYR 22 -4.747 1.347 4.222
203 HH TYR 22 HH TYR 22 -6.288 0.650 5.654
204 H ILE 23 H ILE 23 -2.819 0.251 -1.116
205 HA ILE 23 HA ILE 23 -5.014 1.869 -0.445
206 HB ILE 23 HB ILE 23 -4.174 3.438 -2.149
207 HG12 ILE 23 1HG1 ILE 23 -2.090 1.339 -2.767
208 HG13 ILE 23 2HG1 ILE 23 -3.504 1.626 -3.774
209 HG21 ILE 23 1HG2 ILE 23 -2.904 2.588 0.170
210 HG22 ILE 23 2HG2 ILE 23 -1.612 2.714 -1.023
211 HG23 ILE 23 3HG2 ILE 23 -2.639 4.108 -0.684
212 HD11 ILE 23 3HD1 ILE 23 -1.414 3.691 -3.131
213 HD12 ILE 23 1HD1 ILE 23 -1.462 2.724 -4.605
214 HD13 ILE 23 2HD1 ILE 23 -2.764 3.860 -4.252
215 H LYS 24 H LYS 24 -4.525 -0.398 -3.013
216 HA LYS 24 HA LYS 24 -6.579 0.610 -4.734
217 HB2 LYS 24 1HB LYS 24 -5.035 -1.974 -4.624
218 HB3 LYS 24 2HB LYS 24 -6.338 -1.723 -5.780
219 HG2 LYS 24 1HG LYS 24 -5.147 0.214 -6.691
220 HG3 LYS 24 2HG LYS 24 -3.834 -0.064 -5.545
221 HD2 LYS 24 1HD LYS 24 -3.871 -2.476 -6.607
222 HD3 LYS 24 2HD LYS 24 -4.615 -1.622 -7.961
223 HE2 LYS 24 1HE LYS 24 -2.288 -0.235 -6.910
224 HE3 LYS 24 2HE LYS 24 -1.907 -1.867 -7.460
225 HZ1 LYS 24 3HZ LYS 24 -3.554 -0.186 -9.199
226 HZ2 LYS 24 1HZ LYS 24 -2.405 -1.362 -9.603
227 HZ3 LYS 24 2HZ LYS 24 -1.904 0.172 -9.094
228 H LEU 25 H LEU 25 -6.366 -2.351 -2.751
229 HA LEU 25 HA LEU 25 -9.072 -3.056 -3.025
230 HB2 LEU 25 1HB LEU 25 -8.651 -4.455 -0.984
231 HB3 LEU 25 2HB LEU 25 -7.556 -4.727 -2.337
232 HG LEU 25 HG LEU 25 -6.166 -2.897 -0.872
233 HD11 LEU 25 1HD1 LEU 25 -6.246 -3.841 1.465
234 HD12 LEU 25 2HD1 LEU 25 -7.777 -4.592 1.018
235 HD13 LEU 25 3HD1 LEU 25 -7.616 -2.836 0.992
236 HD21 LEU 25 3HD2 LEU 25 -4.731 -4.715 -0.288
237 HD22 LEU 25 1HD2 LEU 25 -5.411 -5.055 -1.880
238 HD23 LEU 25 2HD2 LEU 25 -6.046 -5.880 -0.456
239 H PHE 26 H PHE 26 -7.386 -1.044 -0.682
240 HA PHE 26 HA PHE 26 -9.309 -0.781 1.280
241 HB2 PHE 26 2HB PHE 26 -7.142 0.201 1.592
242 HB3 PHE 26 3HB PHE 26 -7.358 1.256 0.199
243 HD1 PHE 26 1HD PHE 26 -8.870 0.501 3.518
244 HD2 PHE 26 2HD PHE 26 -8.072 3.423 0.526
245 HE1 PHE 26 1HE PHE 26 -9.773 2.252 4.993
246 HE2 PHE 26 2HE PHE 26 -8.971 5.179 1.997
247 HZ PHE 26 HZ PHE 26 -9.822 4.595 4.233
248 H ILE 27 H ILE 27 -8.861 1.444 -1.475
249 HA ILE 27 HA ILE 27 -11.170 2.947 -1.072
250 HB ILE 27 HB ILE 27 -9.818 2.326 -3.702
251 HG12 ILE 27 1HG1 ILE 27 -8.312 3.313 -2.007
252 HG13 ILE 27 2HG1 ILE 27 -8.602 4.410 -3.353
253 HG21 ILE 27 1HG2 ILE 27 -11.781 4.470 -2.917
254 HG22 ILE 27 2HG2 ILE 27 -10.824 4.506 -4.397
255 HG23 ILE 27 3HG2 ILE 27 -11.991 3.212 -4.134
256 HD11 ILE 27 3HD1 ILE 27 -10.287 5.578 -1.968
257 HD12 ILE 27 1HD1 ILE 27 -9.840 4.537 -0.616
258 HD13 ILE 27 2HD1 ILE 27 -8.654 5.645 -1.306
259 H MET 28 H MET 28 -10.723 -0.158 -2.610
260 HA MET 28 HA MET 28 -13.218 -0.261 -3.952
261 HB2 MET 28 1HB MET 28 -11.267 -1.718 -4.478
262 HB3 MET 28 2HB MET 28 -11.537 -2.570 -2.964
263 HG2 MET 28 1HG MET 28 -13.983 -2.778 -4.054
264 HG3 MET 28 2HG MET 28 -12.997 -2.722 -5.513
265 HE1 MET 28 3HE MET 28 -14.365 -5.972 -3.329
266 HE2 MET 28 1HE MET 28 -13.212 -5.484 -2.088
267 HE3 MET 28 2HE MET 28 -14.371 -4.316 -2.721
268 H ILE 29 H ILE 29 -12.165 -1.109 -0.715
269 HA ILE 29 HA ILE 29 -14.638 -2.407 -0.017
270 HB ILE 29 HB ILE 29 -12.384 -1.459 1.756
271 HG12 ILE 29 1HG1 ILE 29 -12.973 -4.301 0.964
272 HG13 ILE 29 2HG1 ILE 29 -11.956 -3.271 -0.037
273 HG21 ILE 29 1HG2 ILE 29 -13.390 -3.148 3.348
274 HG22 ILE 29 2HG2 ILE 29 -14.305 -1.659 3.113
275 HG23 ILE 29 3HG2 ILE 29 -14.812 -3.142 2.306
276 HD11 ILE 29 3HD1 ILE 29 -11.387 -3.675 2.873
277 HD12 ILE 29 1HD1 ILE 29 -10.821 -4.809 1.648
278 HD13 ILE 29 2HD1 ILE 29 -10.303 -3.124 1.596
279 H VAL 30 H VAL 30 -13.208 0.778 0.391
280 HA VAL 30 HA VAL 30 -15.061 1.807 2.245
281 HB VAL 30 HB VAL 30 -13.484 3.298 0.144
282 HG11 VAL 30 1HG1 VAL 30 -13.740 5.166 1.888
283 HG12 VAL 30 2HG1 VAL 30 -15.128 4.792 0.864
284 HG13 VAL 30 3HG1 VAL 30 -15.071 4.200 2.524
285 HG21 VAL 30 3HG2 VAL 30 -11.679 2.860 1.364
286 HG22 VAL 30 1HG2 VAL 30 -12.438 3.635 2.755
287 HG23 VAL 30 2HG2 VAL 30 -12.651 1.905 2.484
288 H GLY 31 H GLY 31 -14.985 1.890 -1.306
289 HA2 GLY 31 1HA GLY 31 -17.262 3.478 -1.693
290 HA3 GLY 31 2HA GLY 31 -16.632 2.312 -2.847
291 H LYS 32 H LYS 32 -16.952 -0.029 -1.321
292 HA LYS 32 HA LYS 32 -19.578 -0.738 -1.939
293 HB2 LYS 32 1HB LYS 32 -17.574 -1.999 -0.068
294 HB3 LYS 32 2HB LYS 32 -19.125 -2.735 -0.448
295 HG2 LYS 32 1HG LYS 32 -17.022 -2.036 -2.484
296 HG3 LYS 32 2HG LYS 32 -17.250 -3.637 -1.777
297 HD2 LYS 32 1HD LYS 32 -19.769 -3.081 -2.615
298 HD3 LYS 32 2HD LYS 32 -18.817 -2.231 -3.835
299 HE2 LYS 32 1HE LYS 32 -17.462 -4.477 -3.889
300 HE3 LYS 32 2HE LYS 32 -18.947 -5.146 -3.212
301 HZ1 LYS 32 3HZ LYS 32 -18.386 -4.346 -5.888
302 HZ2 LYS 32 1HZ LYS 32 -19.771 -3.574 -5.297
303 HZ3 LYS 32 2HZ LYS 32 -19.676 -5.262 -5.290
304 H LYS 33 H LYS 33 -18.148 -0.114 1.266
305 HA LYS 33 HA LYS 33 -20.600 -0.309 2.668
306 HB2 LYS 33 1HB LYS 33 -18.074 1.144 3.474
307 HB3 LYS 33 2HB LYS 33 -19.381 0.671 4.550
308 HG2 LYS 33 1HG LYS 33 -17.837 -1.336 2.940
309 HG3 LYS 33 2HG LYS 33 -17.306 -0.788 4.531
310 HD2 LYS 33 1HD LYS 33 -19.784 -1.397 5.193
311 HD3 LYS 33 2HD LYS 33 -19.667 -2.441 3.776
312 HE2 LYS 33 1HE LYS 33 -17.395 -3.150 4.895
313 HE3 LYS 33 2HE LYS 33 -18.181 -2.557 6.357
314 HZ1 LYS 33 3HZ LYS 33 -18.936 -4.826 4.641
315 HZ2 LYS 33 1HZ LYS 33 -20.114 -4.050 5.575
316 HZ3 LYS 33 2HZ LYS 33 -18.778 -4.765 6.324
317 H LYS 34 H LYS 34 -19.062 2.252 0.915
318 HA LYS 34 HA LYS 34 -20.310 4.476 2.081
319 HB2 LYS 34 1HB LYS 34 -18.626 3.970 -0.138
320 HB3 LYS 34 2HB LYS 34 -20.013 4.861 -0.748
321 HG2 LYS 34 1HG LYS 34 -18.788 5.890 1.730
322 HG3 LYS 34 2HG LYS 34 -17.829 6.034 0.255
323 HD2 LYS 34 1HD LYS 34 -19.342 7.451 -0.748
324 HD3 LYS 34 2HD LYS 34 -20.699 6.855 0.211
325 HE2 LYS 34 1HE LYS 34 -19.707 7.953 2.201
326 HE3 LYS 34 2HE LYS 34 -18.448 8.623 1.165
327 HZ1 LYS 34 3HZ LYS 34 -20.219 10.217 1.542
328 HZ2 LYS 34 1HZ LYS 34 -21.361 9.143 0.904
329 HZ3 LYS 34 2HZ LYS 34 -20.155 9.786 -0.092
330 H LYS 35 H LYS 35 -21.340 2.340 -0.546
331 HA LYS 35 HA LYS 35 -23.355 2.005 -1.546
332 HB2 LYS 35 1HB LYS 35 -23.858 2.252 1.179
333 HB3 LYS 35 2HB LYS 35 -25.032 3.329 0.432
334 HG2 LYS 35 1HG LYS 35 -26.223 1.637 -0.438
335 HG3 LYS 35 2HG LYS 35 -24.788 0.686 -0.827
336 HD2 LYS 35 1HD LYS 35 -25.926 -0.540 0.834
337 HD3 LYS 35 2HD LYS 35 -24.584 0.249 1.667
338 HE2 LYS 35 1HE LYS 35 -26.098 1.014 3.112
339 HE3 LYS 35 2HE LYS 35 -26.635 2.095 1.827
340 HZ1 LYS 35 3HZ LYS 35 -28.578 1.051 2.375
341 HZ2 LYS 35 1HZ LYS 35 -27.830 -0.417 2.762
342 HZ3 LYS 35 2HZ LYS 35 -28.036 0.026 1.143
343 H LYS 36 H LYS 36 -25.549 3.256 -2.067
344 HA LYS 36 HA LYS 36 -24.704 5.713 -3.336
345 HB2 LYS 36 1HB LYS 36 -27.194 4.032 -3.451
346 HB3 LYS 36 2HB LYS 36 -27.155 5.637 -4.169
347 HG2 LYS 36 1HG LYS 36 -24.851 4.210 -5.032
348 HG3 LYS 36 2HG LYS 36 -26.274 3.194 -5.277
349 HD2 LYS 36 1HD LYS 36 -26.186 4.399 -7.250
350 HD3 LYS 36 2HD LYS 36 -27.318 5.348 -6.285
351 HE2 LYS 36 1HE LYS 36 -25.036 6.529 -5.549
352 HE3 LYS 36 2HE LYS 36 -24.558 5.977 -7.154
353 HZ1 LYS 36 3HZ LYS 36 -25.756 8.285 -6.753
354 HZ2 LYS 36 1HZ LYS 36 -27.136 7.321 -6.927
355 HZ3 LYS 36 2HZ LYS 36 -25.988 7.386 -8.167
Start of MODEL 12
1 H1 LYS 1 H LYS 1 21.663 11.261 5.278
2 HA LYS 1 HA LYS 1 21.404 13.147 6.980
3 HB2 LYS 1 1HB LYS 1 20.163 10.772 8.322
4 HB3 LYS 1 2HB LYS 1 20.955 12.005 9.295
5 HG2 LYS 1 1HG LYS 1 19.465 13.698 8.444
6 HG3 LYS 1 2HG LYS 1 18.724 12.534 7.344
7 HD2 LYS 1 1HD LYS 1 17.265 12.749 9.208
8 HD3 LYS 1 2HD LYS 1 18.078 11.191 9.372
9 HE2 LYS 1 1HE LYS 1 19.765 12.463 10.837
10 HE3 LYS 1 2HE LYS 1 18.541 13.730 10.902
11 HZ1 LYS 1 3HZ LYS 1 18.479 12.094 12.768
12 HZ2 LYS 1 1HZ LYS 1 18.001 10.914 11.653
13 HZ3 LYS 1 2HZ LYS 1 17.018 12.263 11.932
14 H LYS 2 H LYS 2 22.306 9.795 7.814
15 HA LYS 2 HA LYS 2 25.080 10.720 8.138
16 HB2 LYS 2 1HB LYS 2 23.774 8.663 9.921
17 HB3 LYS 2 2HB LYS 2 25.369 9.382 10.107
18 HG2 LYS 2 1HG LYS 2 22.799 10.937 10.282
19 HG3 LYS 2 2HG LYS 2 23.640 10.252 11.675
20 HD2 LYS 2 1HD LYS 2 25.685 11.562 10.606
21 HD3 LYS 2 2HD LYS 2 24.381 12.549 9.941
22 HE2 LYS 2 1HE LYS 2 23.504 12.910 12.193
23 HE3 LYS 2 2HE LYS 2 24.792 11.908 12.861
24 HZ1 LYS 2 3HZ LYS 2 24.915 14.579 12.586
25 HZ2 LYS 2 1HZ LYS 2 25.717 14.067 11.188
26 HZ3 LYS 2 2HZ LYS 2 26.263 13.564 12.708
27 H LYS 3 H LYS 3 26.476 9.609 6.945
28 HA LYS 3 HA LYS 3 27.411 7.991 5.649
29 HB2 LYS 3 1HB LYS 3 26.111 6.587 7.820
30 HB3 LYS 3 2HB LYS 3 26.100 5.616 6.352
31 HG2 LYS 3 1HG LYS 3 28.541 5.927 6.166
32 HG3 LYS 3 2HG LYS 3 28.517 6.810 7.695
33 HD2 LYS 3 1HD LYS 3 27.688 4.848 8.851
34 HD3 LYS 3 2HD LYS 3 27.589 3.961 7.328
35 HE2 LYS 3 1HE LYS 3 29.599 3.201 8.124
36 HE3 LYS 3 2HE LYS 3 30.135 4.582 7.170
37 HZ1 LYS 3 3HZ LYS 3 30.025 5.896 9.282
38 HZ2 LYS 3 1HZ LYS 3 31.228 4.707 9.242
39 HZ3 LYS 3 2HZ LYS 3 29.802 4.438 10.111
40 H LYS 4 H LYS 4 26.875 6.238 4.005
41 HA LYS 4 HA LYS 4 24.938 7.206 2.220
42 HB2 LYS 4 1HB LYS 4 26.584 4.706 2.360
43 HB3 LYS 4 2HB LYS 4 25.324 4.853 1.142
44 HG2 LYS 4 1HG LYS 4 26.549 7.172 0.717
45 HG3 LYS 4 2HG LYS 4 27.912 6.270 1.382
46 HD2 LYS 4 1HD LYS 4 27.950 4.775 -0.366
47 HD3 LYS 4 2HD LYS 4 26.238 5.001 -0.734
48 HE2 LYS 4 1HE LYS 4 27.588 7.482 -1.104
49 HE3 LYS 4 2HE LYS 4 28.483 6.225 -1.956
50 HZ1 LYS 4 3HZ LYS 4 25.746 7.184 -2.402
51 HZ2 LYS 4 1HZ LYS 4 26.112 5.574 -2.775
52 HZ3 LYS 4 2HZ LYS 4 26.958 6.831 -3.526
53 H ASP 5 H ASP 5 22.856 6.679 1.822
54 HA ASP 5 HA ASP 5 21.650 4.583 3.507
55 HB2 ASP 5 1HB ASP 5 20.429 7.210 2.635
56 HB3 ASP 5 2HB ASP 5 19.579 5.944 3.518
57 H LYS 6 H LYS 6 22.662 3.901 1.061
58 HA LYS 6 HA LYS 6 20.706 4.075 -1.017
59 HB2 LYS 6 1HB LYS 6 23.374 2.956 -0.671
60 HB3 LYS 6 2HB LYS 6 22.334 1.911 -1.628
61 HG2 LYS 6 1HG LYS 6 22.625 4.837 -2.223
62 HG3 LYS 6 2HG LYS 6 23.736 3.627 -2.872
63 HD2 LYS 6 1HD LYS 6 20.747 3.458 -3.207
64 HD3 LYS 6 2HD LYS 6 21.799 4.276 -4.365
65 HE2 LYS 6 1HE LYS 6 22.655 2.335 -5.157
66 HE3 LYS 6 2HE LYS 6 22.593 1.540 -3.584
67 HZ1 LYS 6 3HZ LYS 6 20.286 2.009 -5.396
68 HZ2 LYS 6 1HZ LYS 6 20.193 1.295 -3.865
69 HZ3 LYS 6 2HZ LYS 6 21.042 0.524 -5.108
70 H TRP 7 H TRP 7 21.726 1.501 1.211
71 HA TRP 7 HA TRP 7 19.654 -0.280 0.280
72 HB2 TRP 7 2HB TRP 7 20.488 -1.770 2.104
73 HB3 TRP 7 3HB TRP 7 21.744 -1.262 0.978
74 HD1 TRP 7 1HD TRP 7 20.598 -0.793 4.599
75 HE1 TRP 7 1HE TRP 7 22.530 0.245 5.946
76 HE3 TRP 7 3HE TRP 7 23.822 0.198 0.758
77 HZ2 TRP 7 2HZ TRP 7 25.083 1.340 5.445
78 HZ3 TRP 7 3HZ TRP 7 25.989 1.242 1.276
79 HH2 TRP 7 2HH TRP 7 26.604 1.801 3.572
80 H ALA 8 H ALA 8 20.110 2.008 2.859
81 HA ALA 8 HA ALA 8 18.133 1.117 4.640
82 HB1 ALA 8 3HB ALA 8 19.961 3.080 4.723
83 HB2 ALA 8 1HB ALA 8 18.513 4.033 4.393
84 HB3 ALA 8 2HB ALA 8 18.580 2.993 5.817
85 H SER 9 H SER 9 17.952 3.084 1.737
86 HA SER 9 HA SER 9 15.165 3.737 2.154
87 HB2 SER 9 1HB SER 9 17.246 4.846 0.650
88 HB3 SER 9 2HB SER 9 16.124 4.198 -0.545
89 HG SER 9 HG SER 9 14.458 5.344 0.695
90 H LEU 10 H LEU 10 17.067 1.473 0.267
91 HA LEU 10 HA LEU 10 15.005 0.572 -1.439
92 HB2 LEU 10 1HB LEU 10 17.667 0.142 -1.282
93 HB3 LEU 10 2HB LEU 10 17.062 -1.376 -0.621
94 HG LEU 10 HG LEU 10 15.989 -0.390 -3.227
95 HD11 LEU 10 1HD1 LEU 10 17.882 -1.903 -4.196
96 HD12 LEU 10 2HD1 LEU 10 18.728 -1.453 -2.716
97 HD13 LEU 10 3HD1 LEU 10 18.195 -0.204 -3.841
98 HD21 LEU 10 3HD2 LEU 10 16.318 -3.004 -1.812
99 HD22 LEU 10 1HD2 LEU 10 16.133 -2.956 -3.565
100 HD23 LEU 10 2HD2 LEU 10 14.872 -2.291 -2.528
101 H TRP 11 H TRP 11 16.409 -1.045 1.419
102 HA TRP 11 HA TRP 11 14.571 -3.100 1.628
103 HB2 TRP 11 2HB TRP 11 16.152 -1.655 3.755
104 HB3 TRP 11 3HB TRP 11 15.174 -3.079 4.099
105 HD1 TRP 11 1HD TRP 11 18.611 -2.250 3.459
106 HE1 TRP 11 1HE TRP 11 19.937 -4.254 2.539
107 HE3 TRP 11 3HE TRP 11 14.703 -5.261 2.118
108 HZ2 TRP 11 2HZ TRP 11 19.398 -6.778 1.395
109 HZ3 TRP 11 3HZ TRP 11 15.194 -7.454 1.116
110 HH2 TRP 11 2HH TRP 11 17.495 -8.195 0.762
111 H ASN 12 H ASN 12 14.329 0.225 2.724
112 HA ASN 12 HA ASN 12 12.039 -0.085 4.348
113 HB2 ASN 12 1HB ASN 12 13.658 2.098 3.339
114 HB3 ASN 12 2HB ASN 12 11.946 2.510 3.303
115 HD21 ASN 12 2HD2 ASN 12 14.689 1.838 5.276
116 HD22 ASN 12 1HD2 ASN 12 13.965 2.238 6.793
117 H TRP 13 H TRP 13 12.486 0.381 0.909
118 HA TRP 13 HA TRP 13 9.903 1.163 0.193
119 HB2 TRP 13 2HB TRP 13 11.945 1.107 -1.295
120 HB3 TRP 13 3HB TRP 13 11.695 -0.630 -1.449
121 HD1 TRP 13 1HD TRP 13 10.054 2.714 -2.410
122 HE1 TRP 13 1HE TRP 13 8.452 2.293 -4.380
123 HE3 TRP 13 3HE TRP 13 10.338 -2.387 -2.611
124 HZ2 TRP 13 2HZ TRP 13 7.443 0.090 -5.829
125 HZ3 TRP 13 3HZ TRP 13 9.022 -3.574 -4.319
126 HH2 TRP 13 2HH TRP 13 7.606 -2.359 -5.892
127 H PHE 14 H PHE 14 11.095 -1.866 1.295
128 HA PHE 14 HA PHE 14 9.386 -3.703 0.153
129 HB2 PHE 14 2HB PHE 14 11.283 -4.161 1.762
130 HB3 PHE 14 3HB PHE 14 10.179 -3.736 3.066
131 HD1 PHE 14 1HD PHE 14 7.984 -5.065 3.213
132 HD2 PHE 14 2HD PHE 14 11.370 -6.334 0.967
133 HE1 PHE 14 1HE PHE 14 7.140 -7.376 3.253
134 HE2 PHE 14 2HE PHE 14 10.532 -8.646 1.004
135 HZ PHE 14 HZ PHE 14 8.415 -9.170 2.147
136 H ASP 15 H ASP 15 8.846 -2.008 3.245
137 HA ASP 15 HA ASP 15 6.249 -2.909 3.687
138 HB2 ASP 15 1HB ASP 15 7.719 -1.688 5.328
139 HB3 ASP 15 2HB ASP 15 7.312 -0.196 4.486
140 H ILE 16 H ILE 16 7.421 -0.165 1.814
141 HA ILE 16 HA ILE 16 4.880 0.994 1.322
142 HB ILE 16 HB ILE 16 7.514 1.239 -0.122
143 HG12 ILE 16 1HG1 ILE 16 7.195 3.633 0.830
144 HG13 ILE 16 2HG1 ILE 16 5.996 2.888 1.882
145 HG21 ILE 16 1HG2 ILE 16 6.161 3.373 -1.008
146 HG22 ILE 16 2HG2 ILE 16 6.224 1.842 -1.882
147 HG23 ILE 16 3HG2 ILE 16 4.830 2.224 -0.871
148 HD11 ILE 16 3HD1 ILE 16 8.305 3.143 2.836
149 HD12 ILE 16 1HD1 ILE 16 7.617 1.522 2.913
150 HD13 ILE 16 2HD1 ILE 16 8.827 1.910 1.690
151 H THR 17 H THR 17 6.674 -1.589 -0.168
152 HA THR 17 HA THR 17 5.519 -1.719 -2.681
153 HB THR 17 HB THR 17 5.987 -4.263 -1.179
154 HG1 THR 17 1HG THR 17 8.266 -3.923 -1.546
155 HG21 THR 17 3HG2 THR 17 6.365 -3.246 -3.971
156 HG22 THR 17 1HG2 THR 17 5.498 -4.677 -3.413
157 HG23 THR 17 2HG2 THR 17 7.261 -4.657 -3.408
158 H ASN 18 H ASN 18 4.430 -3.389 0.278
159 HA ASN 18 HA ASN 18 2.014 -4.313 -0.951
160 HB2 ASN 18 1HB ASN 18 3.188 -5.484 0.933
161 HB3 ASN 18 2HB ASN 18 2.664 -4.184 1.999
162 HD21 ASN 18 2HD2 ASN 18 2.002 -7.219 1.167
163 HD22 ASN 18 1HD2 ASN 18 0.298 -7.265 1.449
164 H TRP 19 H TRP 19 2.952 -1.544 0.954
165 HA TRP 19 HA TRP 19 0.523 -0.641 1.902
166 HB2 TRP 19 2HB TRP 19 2.630 0.441 2.475
167 HB3 TRP 19 3HB TRP 19 2.827 0.991 0.814
168 HD1 TRP 19 1HD TRP 19 0.264 1.469 3.697
169 HE1 TRP 19 1HE TRP 19 -0.607 3.888 3.581
170 HE3 TRP 19 3HE TRP 19 2.751 3.027 -0.490
171 HZ2 TRP 19 2HZ TRP 19 -0.284 6.157 1.933
172 HZ3 TRP 19 3HZ TRP 19 2.415 5.337 -1.270
173 HH2 TRP 19 2HH TRP 19 0.929 6.867 -0.083
174 H LEU 20 H LEU 20 2.036 0.269 -1.201
175 HA LEU 20 HA LEU 20 -0.066 1.781 -2.205
176 HB2 LEU 20 1HB LEU 20 2.316 0.481 -3.262
177 HB3 LEU 20 2HB LEU 20 1.006 0.567 -4.438
178 HG LEU 20 HG LEU 20 1.094 3.124 -3.413
179 HD11 LEU 20 1HD1 LEU 20 3.209 3.809 -2.995
180 HD12 LEU 20 2HD1 LEU 20 3.931 2.607 -4.063
181 HD13 LEU 20 3HD1 LEU 20 3.381 2.139 -2.455
182 HD21 LEU 20 3HD2 LEU 20 2.533 3.409 -5.640
183 HD22 LEU 20 1HD2 LEU 20 0.805 3.055 -5.661
184 HD23 LEU 20 2HD2 LEU 20 1.975 1.753 -5.885
185 H TRP 21 H TRP 21 0.283 -1.656 -1.945
186 HA TRP 21 HA TRP 21 -1.831 -2.257 -3.815
187 HB2 TRP 21 2HB TRP 21 0.242 -3.713 -2.529
188 HB3 TRP 21 3HB TRP 21 -1.288 -4.457 -2.068
189 HD1 TRP 21 1HD TRP 21 1.185 -4.352 -4.838
190 HE1 TRP 21 1HE TRP 21 0.299 -5.657 -6.873
191 HE3 TRP 21 3HE TRP 21 -3.682 -4.923 -3.381
192 HZ2 TRP 21 2HZ TRP 21 -2.140 -6.778 -7.745
193 HZ3 TRP 21 3HZ TRP 21 -5.227 -6.123 -4.873
194 HH2 TRP 21 2HH TRP 21 -4.470 -7.030 -7.009
195 H TYR 22 H TYR 22 -1.485 -1.798 -0.372
196 HA TYR 22 HA TYR 22 -4.044 -2.897 0.307
197 HB2 TYR 22 2HB TYR 22 -2.039 -2.711 1.856
198 HB3 TYR 22 3HB TYR 22 -2.402 -0.993 1.978
199 HD1 TYR 22 2HD TYR 22 -4.084 -4.306 2.372
200 HD2 TYR 22 1HD TYR 22 -3.765 -0.277 3.700
201 HE1 TYR 22 2HE TYR 22 -5.693 -4.778 4.171
202 HE2 TYR 22 1HE TYR 22 -5.373 -0.737 5.504
203 HH TYR 22 HH TYR 22 -6.053 -3.235 6.767
204 H ILE 23 H ILE 23 -2.752 0.332 -0.285
205 HA ILE 23 HA ILE 23 -5.037 1.784 0.501
206 HB ILE 23 HB ILE 23 -4.112 3.647 -0.773
207 HG12 ILE 23 1HG1 ILE 23 -2.047 1.676 -1.773
208 HG13 ILE 23 2HG1 ILE 23 -3.380 2.299 -2.738
209 HG21 ILE 23 1HG2 ILE 23 -2.852 2.271 1.326
210 HG22 ILE 23 2HG2 ILE 23 -1.569 2.798 0.237
211 HG23 ILE 23 3HG2 ILE 23 -2.698 3.977 0.905
212 HD11 ILE 23 3HD1 ILE 23 -1.635 3.642 -3.387
213 HD12 ILE 23 1HD1 ILE 23 -2.391 4.616 -2.127
214 HD13 ILE 23 2HD1 ILE 23 -0.931 3.692 -1.772
215 H LYS 24 H LYS 24 -4.256 0.024 -2.382
216 HA LYS 24 HA LYS 24 -6.202 1.267 -4.069
217 HB2 LYS 24 1HB LYS 24 -4.571 -1.253 -4.259
218 HB3 LYS 24 2HB LYS 24 -5.811 -0.879 -5.449
219 HG2 LYS 24 1HG LYS 24 -4.674 1.150 -6.067
220 HG3 LYS 24 2HG LYS 24 -3.486 0.914 -4.784
221 HD2 LYS 24 1HD LYS 24 -3.174 -1.409 -6.044
222 HD3 LYS 24 2HD LYS 24 -3.756 -0.450 -7.407
223 HE2 LYS 24 1HE LYS 24 -1.765 0.987 -5.885
224 HE3 LYS 24 2HE LYS 24 -1.150 -0.576 -6.420
225 HZ1 LYS 24 3HZ LYS 24 -0.706 0.557 -8.290
226 HZ2 LYS 24 1HZ LYS 24 -1.843 1.770 -7.974
227 HZ3 LYS 24 2HZ LYS 24 -2.341 0.297 -8.641
228 H LEU 25 H LEU 25 -6.064 -1.980 -2.591
229 HA LEU 25 HA LEU 25 -8.703 -2.693 -3.219
230 HB2 LEU 25 1HB LEU 25 -8.429 -4.378 -1.389
231 HB3 LEU 25 2HB LEU 25 -7.179 -4.403 -2.630
232 HG LEU 25 HG LEU 25 -6.018 -2.801 -0.782
233 HD11 LEU 25 1HD1 LEU 25 -6.771 -4.765 1.153
234 HD12 LEU 25 2HD1 LEU 25 -8.210 -3.927 0.571
235 HD13 LEU 25 3HD1 LEU 25 -6.868 -3.007 1.252
236 HD21 LEU 25 3HD2 LEU 25 -4.683 -4.735 -0.181
237 HD22 LEU 25 1HD2 LEU 25 -5.036 -4.751 -1.909
238 HD23 LEU 25 2HD2 LEU 25 -5.924 -5.815 -0.819
239 H PHE 26 H PHE 26 -7.328 -1.040 -0.430
240 HA PHE 26 HA PHE 26 -9.459 -1.111 1.325
241 HB2 PHE 26 2HB PHE 26 -7.364 -0.179 2.029
242 HB3 PHE 26 3HB PHE 26 -7.451 1.084 0.805
243 HD1 PHE 26 2HD PHE 26 -9.305 -0.200 3.770
244 HD2 PHE 26 1HD PHE 26 -8.241 3.167 1.393
245 HE1 PHE 26 2HE PHE 26 -10.404 1.288 5.392
246 HE2 PHE 26 1HE PHE 26 -9.338 4.660 3.011
247 HZ PHE 26 HZ PHE 26 -10.422 3.721 5.013
248 H ILE 27 H ILE 27 -8.758 1.574 -0.920
249 HA ILE 27 HA ILE 27 -11.141 2.955 -0.561
250 HB ILE 27 HB ILE 27 -9.483 2.799 -3.082
251 HG12 ILE 27 1HG1 ILE 27 -8.202 3.494 -1.086
252 HG13 ILE 27 2HG1 ILE 27 -8.373 4.805 -2.248
253 HG21 ILE 27 1HG2 ILE 27 -10.590 5.306 -2.957
254 HG22 ILE 27 2HG2 ILE 27 -11.165 3.977 -3.961
255 HG23 ILE 27 3HG2 ILE 27 -11.899 4.273 -2.385
256 HD11 ILE 27 3HD1 ILE 27 -8.976 4.847 0.474
257 HD12 ILE 27 1HD1 ILE 27 -9.315 6.097 -0.723
258 HD13 ILE 27 2HD1 ILE 27 -10.529 4.870 -0.360
259 H MET 28 H MET 28 -10.420 0.189 -2.583
260 HA MET 28 HA MET 28 -12.746 0.286 -4.191
261 HB2 MET 28 1HB MET 28 -10.639 -1.065 -4.617
262 HB3 MET 28 2HB MET 28 -11.232 -2.209 -3.420
263 HG2 MET 28 1HG MET 28 -13.393 -2.025 -5.013
264 HG3 MET 28 2HG MET 28 -12.111 -1.728 -6.184
265 HE1 MET 28 3HE MET 28 -14.066 -4.209 -4.136
266 HE2 MET 28 1HE MET 28 -13.024 -5.622 -3.964
267 HE3 MET 28 2HE MET 28 -12.685 -4.160 -3.040
268 H ILE 29 H ILE 29 -12.054 -1.094 -1.039
269 HA ILE 29 HA ILE 29 -14.592 -2.467 -0.881
270 HB ILE 29 HB ILE 29 -12.521 -1.965 1.260
271 HG12 ILE 29 1HG1 ILE 29 -13.060 -4.573 -0.140
272 HG13 ILE 29 2HG1 ILE 29 -11.936 -3.397 -0.812
273 HG21 ILE 29 1HG2 ILE 29 -15.151 -3.321 1.259
274 HG22 ILE 29 2HG2 ILE 29 -13.839 -4.121 2.123
275 HG23 ILE 29 3HG2 ILE 29 -14.308 -2.478 2.560
276 HD11 ILE 29 3HD1 ILE 29 -10.364 -3.812 0.747
277 HD12 ILE 29 1HD1 ILE 29 -11.546 -4.108 2.023
278 HD13 ILE 29 2HD1 ILE 29 -11.198 -5.363 0.832
279 H VAL 30 H VAL 30 -13.190 0.542 0.252
280 HA VAL 30 HA VAL 30 -15.185 1.242 2.115
281 HB VAL 30 HB VAL 30 -13.503 3.126 0.456
282 HG11 VAL 30 1HG1 VAL 30 -15.070 4.480 1.470
283 HG12 VAL 30 2HG1 VAL 30 -15.203 3.442 2.891
284 HG13 VAL 30 3HG1 VAL 30 -13.783 4.466 2.676
285 HG21 VAL 30 3HG2 VAL 30 -12.465 2.858 3.057
286 HG22 VAL 30 1HG2 VAL 30 -12.737 1.224 2.454
287 HG23 VAL 30 2HG2 VAL 30 -11.728 2.344 1.540
288 H GLY 31 H GLY 31 -14.762 2.203 -1.295
289 HA2 GLY 31 1HA GLY 31 -17.061 3.769 -1.525
290 HA3 GLY 31 2HA GLY 31 -16.277 2.933 -2.856
291 H LYS 32 H LYS 32 -16.684 0.293 -1.628
292 HA LYS 32 HA LYS 32 -19.160 -0.341 -2.817
293 HB2 LYS 32 1HB LYS 32 -17.266 -1.849 -1.037
294 HB3 LYS 32 2HB LYS 32 -18.804 -2.554 -1.517
295 HG2 LYS 32 1HG LYS 32 -17.029 -1.452 -3.632
296 HG3 LYS 32 2HG LYS 32 -16.605 -2.994 -2.886
297 HD2 LYS 32 1HD LYS 32 -19.341 -3.164 -3.421
298 HD3 LYS 32 2HD LYS 32 -18.639 -2.396 -4.847
299 HE2 LYS 32 1HE LYS 32 -18.342 -4.577 -5.428
300 HE3 LYS 32 2HE LYS 32 -16.843 -4.321 -4.535
301 HZ1 LYS 32 3HZ LYS 32 -17.510 -5.646 -2.857
302 HZ2 LYS 32 1HZ LYS 32 -18.498 -6.331 -4.048
303 HZ3 LYS 32 2HZ LYS 32 -19.136 -5.192 -2.974
304 H LYS 33 H LYS 33 -18.190 -0.115 0.597
305 HA LYS 33 HA LYS 33 -20.764 -0.707 1.631
306 HB2 LYS 33 1HB LYS 33 -18.486 0.785 2.946
307 HB3 LYS 33 2HB LYS 33 -19.870 0.078 3.771
308 HG2 LYS 33 1HG LYS 33 -17.784 -1.448 2.224
309 HG3 LYS 33 2HG LYS 33 -17.876 -1.313 3.982
310 HD2 LYS 33 1HD LYS 33 -20.151 -2.343 3.861
311 HD3 LYS 33 2HD LYS 33 -19.872 -2.625 2.141
312 HE2 LYS 33 1HE LYS 33 -18.504 -4.363 2.527
313 HE3 LYS 33 2HE LYS 33 -17.711 -3.562 3.883
314 HZ1 LYS 33 3HZ LYS 33 -18.900 -4.777 5.276
315 HZ2 LYS 33 1HZ LYS 33 -19.610 -5.594 3.975
316 HZ3 LYS 33 2HZ LYS 33 -20.349 -4.211 4.609
317 H LYS 34 H LYS 34 -19.218 2.212 0.537
318 HA LYS 34 HA LYS 34 -20.985 4.055 1.784
319 HB2 LYS 34 1HB LYS 34 -18.670 4.195 0.192
320 HB3 LYS 34 2HB LYS 34 -19.917 5.049 -0.707
321 HG2 LYS 34 1HG LYS 34 -20.351 6.162 1.650
322 HG3 LYS 34 2HG LYS 34 -18.665 5.706 1.902
323 HD2 LYS 34 1HD LYS 34 -18.782 6.831 -0.664
324 HD3 LYS 34 2HD LYS 34 -19.760 7.878 0.365
325 HE2 LYS 34 1HE LYS 34 -17.715 8.815 0.725
326 HE3 LYS 34 2HE LYS 34 -17.692 7.591 1.993
327 HZ1 LYS 34 3HZ LYS 34 -15.919 7.893 -0.149
328 HZ2 LYS 34 1HZ LYS 34 -16.739 6.429 -0.368
329 HZ3 LYS 34 2HZ LYS 34 -15.897 6.720 1.070
330 H LYS 35 H LYS 35 -21.163 2.113 -1.078
331 HA LYS 35 HA LYS 35 -22.739 1.866 -2.703
332 HB2 LYS 35 1HB LYS 35 -24.546 2.976 -0.547
333 HB3 LYS 35 2HB LYS 35 -25.080 2.114 -1.985
334 HG2 LYS 35 1HG LYS 35 -24.031 0.094 -1.236
335 HG3 LYS 35 2HG LYS 35 -23.290 0.933 0.129
336 HD2 LYS 35 1HD LYS 35 -25.073 0.265 1.302
337 HD3 LYS 35 2HD LYS 35 -25.964 1.512 0.425
338 HE2 LYS 35 1HE LYS 35 -27.043 0.010 -0.875
339 HE3 LYS 35 2HE LYS 35 -25.648 -1.065 -0.972
340 HZ1 LYS 35 3HZ LYS 35 -26.641 -1.022 1.669
341 HZ2 LYS 35 1HZ LYS 35 -26.517 -2.331 0.603
342 HZ3 LYS 35 2HZ LYS 35 -27.908 -1.369 0.604
343 H LYS 36 H LYS 36 -21.530 3.704 -3.744
344 HA LYS 36 HA LYS 36 -23.393 5.546 -4.836
345 HB2 LYS 36 1HB LYS 36 -22.558 6.475 -2.483
346 HB3 LYS 36 2HB LYS 36 -21.194 7.009 -3.456
347 HG2 LYS 36 1HG LYS 36 -23.902 7.614 -4.485
348 HG3 LYS 36 2HG LYS 36 -23.356 8.504 -3.062
349 HD2 LYS 36 1HD LYS 36 -21.161 8.649 -4.666
350 HD3 LYS 36 2HD LYS 36 -22.466 8.673 -5.856
351 HE2 LYS 36 1HE LYS 36 -21.966 10.933 -5.251
352 HE3 LYS 36 2HE LYS 36 -23.527 10.510 -4.548
353 HZ1 LYS 36 3HZ LYS 36 -22.743 10.751 -2.482
354 HZ2 LYS 36 1HZ LYS 36 -21.489 11.630 -3.198
355 HZ3 LYS 36 2HZ LYS 36 -21.270 9.995 -2.827
Start of MODEL 13
1 H1 LYS 1 H LYS 1 26.282 -2.503 10.776
2 HA LYS 1 HA LYS 1 25.270 -1.268 8.398
3 HB2 LYS 1 1HB LYS 1 23.878 -1.592 11.059
4 HB3 LYS 1 2HB LYS 1 23.120 -1.324 9.496
5 HG2 LYS 1 1HG LYS 1 24.669 -3.616 9.166
6 HG3 LYS 1 2HG LYS 1 23.915 -3.787 10.753
7 HD2 LYS 1 1HD LYS 1 22.252 -2.896 8.442
8 HD3 LYS 1 2HD LYS 1 22.679 -4.602 8.585
9 HE2 LYS 1 1HE LYS 1 21.651 -3.263 11.017
10 HE3 LYS 1 2HE LYS 1 20.498 -3.544 9.714
11 HZ1 LYS 1 3HZ LYS 1 21.423 -5.371 11.601
12 HZ2 LYS 1 1HZ LYS 1 22.029 -5.869 10.103
13 HZ3 LYS 1 2HZ LYS 1 20.363 -5.656 10.314
14 H LYS 2 H LYS 2 27.257 0.357 9.316
15 HA LYS 2 HA LYS 2 25.747 2.752 10.091
16 HB2 LYS 2 1HB LYS 2 28.488 2.123 11.188
17 HB3 LYS 2 2HB LYS 2 27.433 3.454 11.643
18 HG2 LYS 2 1HG LYS 2 26.798 0.548 12.109
19 HG3 LYS 2 2HG LYS 2 27.519 1.624 13.308
20 HD2 LYS 2 1HD LYS 2 25.138 2.767 12.107
21 HD3 LYS 2 2HD LYS 2 24.813 1.212 12.874
22 HE2 LYS 2 1HE LYS 2 25.508 1.965 14.969
23 HE3 LYS 2 2HE LYS 2 26.392 3.330 14.288
24 HZ1 LYS 2 3HZ LYS 2 24.138 3.745 15.424
25 HZ2 LYS 2 1HZ LYS 2 23.466 3.157 13.986
26 HZ3 LYS 2 2HZ LYS 2 24.461 4.525 13.958
27 H LYS 3 H LYS 3 26.206 2.332 7.520
28 HA LYS 3 HA LYS 3 28.236 4.332 6.881
29 HB2 LYS 3 1HB LYS 3 28.181 1.517 5.858
30 HB3 LYS 3 2HB LYS 3 28.789 2.805 4.827
31 HG2 LYS 3 1HG LYS 3 30.442 3.384 6.539
32 HG3 LYS 3 2HG LYS 3 29.841 2.069 7.552
33 HD2 LYS 3 1HD LYS 3 30.334 0.575 5.501
34 HD3 LYS 3 2HD LYS 3 31.331 1.925 4.954
35 HE2 LYS 3 1HE LYS 3 32.978 1.190 6.250
36 HE3 LYS 3 2HE LYS 3 31.968 1.495 7.664
37 HZ1 LYS 3 3HZ LYS 3 32.913 -0.876 7.174
38 HZ2 LYS 3 1HZ LYS 3 31.561 -0.991 6.163
39 HZ3 LYS 3 2HZ LYS 3 31.358 -0.684 7.814
40 H LYS 4 H LYS 4 27.924 5.350 4.825
41 HA LYS 4 HA LYS 4 25.201 5.790 4.191
42 HB2 LYS 4 1HB LYS 4 27.805 6.810 3.314
43 HB3 LYS 4 2HB LYS 4 26.594 6.789 2.039
44 HG2 LYS 4 1HG LYS 4 25.437 8.477 2.940
45 HG3 LYS 4 2HG LYS 4 25.637 7.869 4.585
46 HD2 LYS 4 1HD LYS 4 28.092 8.653 4.316
47 HD3 LYS 4 2HD LYS 4 27.462 9.621 2.979
48 HE2 LYS 4 1HE LYS 4 25.665 10.101 5.011
49 HE3 LYS 4 2HE LYS 4 27.209 10.007 5.856
50 HZ1 LYS 4 3HZ LYS 4 28.088 11.649 4.272
51 HZ2 LYS 4 1HZ LYS 4 26.796 12.258 5.179
52 HZ3 LYS 4 2HZ LYS 4 26.555 11.789 3.572
53 H ASP 5 H ASP 5 23.886 4.726 2.868
54 HA ASP 5 HA ASP 5 24.819 3.470 0.461
55 HB2 ASP 5 1HB ASP 5 24.776 1.903 2.815
56 HB3 ASP 5 2HB ASP 5 23.401 1.389 1.843
57 H LYS 6 H LYS 6 23.187 3.132 -1.003
58 HA LYS 6 HA LYS 6 20.718 4.481 -0.500
59 HB2 LYS 6 1HB LYS 6 22.176 3.547 -2.779
60 HB3 LYS 6 2HB LYS 6 20.529 2.941 -2.878
61 HG2 LYS 6 1HG LYS 6 21.230 5.831 -2.428
62 HG3 LYS 6 2HG LYS 6 20.898 5.123 -4.010
63 HD2 LYS 6 1HD LYS 6 18.853 4.505 -2.025
64 HD3 LYS 6 2HD LYS 6 19.037 6.238 -2.314
65 HE2 LYS 6 1HE LYS 6 18.536 6.022 -4.593
66 HE3 LYS 6 2HE LYS 6 18.815 4.281 -4.580
67 HZ1 LYS 6 3HZ LYS 6 16.702 5.265 -2.837
68 HZ2 LYS 6 1HZ LYS 6 16.759 3.868 -3.789
69 HZ3 LYS 6 2HZ LYS 6 16.400 5.360 -4.499
70 H TRP 7 H TRP 7 21.783 1.179 -0.415
71 HA TRP 7 HA TRP 7 19.383 -0.187 -0.739
72 HB2 TRP 7 2HB TRP 7 21.951 -0.752 0.657
73 HB3 TRP 7 3HB TRP 7 20.575 -1.783 1.041
74 HD1 TRP 7 1HD TRP 7 23.014 -0.967 -1.770
75 HE1 TRP 7 1HE TRP 7 22.780 -2.745 -3.616
76 HE3 TRP 7 3HE TRP 7 18.876 -3.410 -0.025
77 HZ2 TRP 7 2HZ TRP 7 21.067 -4.898 -4.249
78 HZ3 TRP 7 3HZ TRP 7 18.004 -5.319 -1.310
79 HH2 TRP 7 2HH TRP 7 19.078 -6.046 -3.378
80 H ALA 8 H ALA 8 20.519 1.733 1.913
81 HA ALA 8 HA ALA 8 18.991 0.725 4.014
82 HB1 ALA 8 3HB ALA 8 19.408 2.750 5.140
83 HB2 ALA 8 1HB ALA 8 20.809 2.493 4.100
84 HB3 ALA 8 2HB ALA 8 19.563 3.651 3.632
85 H SER 9 H SER 9 18.077 2.676 1.283
86 HA SER 9 HA SER 9 15.528 3.446 2.402
87 HB2 SER 9 1HB SER 9 17.136 4.424 0.353
88 HB3 SER 9 2HB SER 9 15.755 3.718 -0.490
89 HG SER 9 HG SER 9 15.308 5.859 0.055
90 H LEU 10 H LEU 10 16.734 1.121 0.034
91 HA LEU 10 HA LEU 10 14.320 0.194 -0.981
92 HB2 LEU 10 1HB LEU 10 16.752 -0.376 -1.631
93 HB3 LEU 10 2HB LEU 10 16.618 -1.646 -0.417
94 HG LEU 10 HG LEU 10 14.599 -1.462 -2.618
95 HD11 LEU 10 1HD1 LEU 10 16.294 -1.618 -4.092
96 HD12 LEU 10 2HD1 LEU 10 16.305 -3.305 -3.584
97 HD13 LEU 10 3HD1 LEU 10 17.448 -2.164 -2.876
98 HD21 LEU 10 3HD2 LEU 10 14.619 -3.934 -2.267
99 HD22 LEU 10 1HD2 LEU 10 14.102 -3.004 -0.861
100 HD23 LEU 10 2HD2 LEU 10 15.729 -3.680 -0.919
101 H TRP 11 H TRP 11 16.115 -0.899 1.879
102 HA TRP 11 HA TRP 11 14.509 -3.032 2.623
103 HB2 TRP 11 2HB TRP 11 16.031 -1.074 4.354
104 HB3 TRP 11 3HB TRP 11 15.311 -2.565 4.955
105 HD1 TRP 11 1HD TRP 11 18.548 -1.387 4.099
106 HE1 TRP 11 1HE TRP 11 20.108 -3.262 3.280
107 HE3 TRP 11 3HE TRP 11 15.048 -4.976 3.096
108 HZ2 TRP 11 2HZ TRP 11 19.886 -5.911 2.332
109 HZ3 TRP 11 3HZ TRP 11 15.804 -7.153 2.234
110 HH2 TRP 11 2HH TRP 11 18.173 -7.609 1.861
111 H ASN 12 H ASN 12 14.086 0.416 3.237
112 HA ASN 12 HA ASN 12 11.790 0.054 4.917
113 HB2 ASN 12 1HB ASN 12 13.442 2.265 4.012
114 HB3 ASN 12 2HB ASN 12 11.729 2.675 3.960
115 HD21 ASN 12 2HD2 ASN 12 10.498 2.453 5.907
116 HD22 ASN 12 1HD2 ASN 12 11.274 2.608 7.442
117 H TRP 13 H TRP 13 12.362 0.720 1.515
118 HA TRP 13 HA TRP 13 9.780 1.466 0.757
119 HB2 TRP 13 2HB TRP 13 11.873 1.576 -0.654
120 HB3 TRP 13 3HB TRP 13 11.690 -0.154 -0.933
121 HD1 TRP 13 1HD TRP 13 9.969 3.193 -1.730
122 HE1 TRP 13 1HE TRP 13 8.453 2.855 -3.782
123 HE3 TRP 13 3HE TRP 13 10.434 -1.871 -2.259
124 HZ2 TRP 13 2HZ TRP 13 7.571 0.725 -5.410
125 HZ3 TRP 13 3HZ TRP 13 9.222 -2.982 -4.089
126 HH2 TRP 13 2HH TRP 13 7.820 -1.710 -5.630
127 H PHE 14 H PHE 14 11.036 -1.592 1.699
128 HA PHE 14 HA PHE 14 9.433 -3.400 0.374
129 HB2 PHE 14 2HB PHE 14 11.267 -3.986 1.952
130 HB3 PHE 14 3HB PHE 14 10.213 -3.547 3.292
131 HD1 PHE 14 2HD PHE 14 10.296 -5.774 0.306
132 HD2 PHE 14 1HD PHE 14 8.952 -5.186 4.301
133 HE1 PHE 14 2HE PHE 14 9.387 -8.060 0.332
134 HE2 PHE 14 1HE PHE 14 8.042 -7.472 4.334
135 HZ PHE 14 HZ PHE 14 8.258 -8.911 2.348
136 H ASP 15 H ASP 15 8.727 -1.938 3.550
137 HA ASP 15 HA ASP 15 6.149 -2.950 3.834
138 HB2 ASP 15 1HB ASP 15 7.342 -1.911 5.687
139 HB3 ASP 15 2HB ASP 15 7.297 -0.350 4.872
140 H ILE 16 H ILE 16 7.290 -0.049 2.193
141 HA ILE 16 HA ILE 16 4.730 1.059 1.685
142 HB ILE 16 HB ILE 16 7.402 1.486 0.359
143 HG12 ILE 16 1HG1 ILE 16 6.969 3.799 1.456
144 HG13 ILE 16 2HG1 ILE 16 5.759 2.946 2.411
145 HG21 ILE 16 1HG2 ILE 16 6.152 2.162 -1.403
146 HG22 ILE 16 2HG2 ILE 16 4.713 2.432 -0.421
147 HG23 ILE 16 3HG2 ILE 16 6.009 3.629 -0.434
148 HD11 ILE 16 3HD1 ILE 16 8.023 3.210 3.466
149 HD12 ILE 16 1HD1 ILE 16 7.389 1.565 3.409
150 HD13 ILE 16 2HD1 ILE 16 8.627 2.074 2.259
151 H THR 17 H THR 17 6.662 -1.358 0.094
152 HA THR 17 HA THR 17 5.601 -1.355 -2.464
153 HB THR 17 HB THR 17 6.104 -3.978 -1.117
154 HG1 THR 17 1HG THR 17 8.441 -3.331 -1.712
155 HG21 THR 17 3HG2 THR 17 5.708 -4.256 -3.390
156 HG22 THR 17 1HG2 THR 17 7.468 -4.179 -3.319
157 HG23 THR 17 2HG2 THR 17 6.543 -2.763 -3.820
158 H ASN 18 H ASN 18 4.427 -3.135 0.390
159 HA ASN 18 HA ASN 18 2.103 -4.099 -1.001
160 HB2 ASN 18 1HB ASN 18 3.208 -5.371 0.835
161 HB3 ASN 18 2HB ASN 18 2.688 -4.127 1.969
162 HD21 ASN 18 2HD2 ASN 18 1.811 -6.917 0.212
163 HD22 ASN 18 1HD2 ASN 18 0.181 -7.039 0.773
164 H TRP 19 H TRP 19 2.900 -1.384 1.021
165 HA TRP 19 HA TRP 19 0.401 -0.614 1.944
166 HB2 TRP 19 2HB TRP 19 2.518 0.464 2.615
167 HB3 TRP 19 3HB TRP 19 2.645 1.194 1.017
168 HD1 TRP 19 1HD TRP 19 0.008 1.177 3.881
169 HE1 TRP 19 1HE TRP 19 -0.952 3.557 4.074
170 HE3 TRP 19 3HE TRP 19 2.592 3.406 0.074
171 HZ2 TRP 19 2HZ TRP 19 -0.654 6.049 2.783
172 HZ3 TRP 19 3HZ TRP 19 2.196 5.792 -0.381
173 HH2 TRP 19 2HH TRP 19 0.606 7.084 0.946
174 H LEU 20 H LEU 20 1.993 0.305 -1.106
175 HA LEU 20 HA LEU 20 -0.086 1.893 -2.106
176 HB2 LEU 20 1HB LEU 20 2.394 0.802 -3.053
177 HB3 LEU 20 2HB LEU 20 1.156 0.646 -4.298
178 HG LEU 20 HG LEU 20 0.826 3.239 -3.527
179 HD11 LEU 20 1HD1 LEU 20 2.656 3.455 -2.098
180 HD12 LEU 20 2HD1 LEU 20 3.233 4.112 -3.629
181 HD13 LEU 20 3HD1 LEU 20 3.702 2.485 -3.135
182 HD21 LEU 20 3HD2 LEU 20 2.565 2.049 -5.678
183 HD22 LEU 20 1HD2 LEU 20 2.158 3.763 -5.588
184 HD23 LEU 20 2HD2 LEU 20 0.883 2.564 -5.806
185 H TRP 21 H TRP 21 0.332 -1.553 -2.003
186 HA TRP 21 HA TRP 21 -1.727 -2.100 -3.948
187 HB2 TRP 21 2HB TRP 21 0.353 -3.572 -2.715
188 HB3 TRP 21 3HB TRP 21 -1.158 -4.365 -2.278
189 HD1 TRP 21 1HD TRP 21 1.262 -3.986 -5.106
190 HE1 TRP 21 1HE TRP 21 0.412 -5.279 -7.164
191 HE3 TRP 21 3HE TRP 21 -3.492 -4.998 -3.521
192 HZ2 TRP 21 2HZ TRP 21 -1.961 -6.557 -8.003
193 HZ3 TRP 21 3HZ TRP 21 -4.988 -6.261 -5.011
194 HH2 TRP 21 2HH TRP 21 -4.237 -7.022 -7.206
195 H TYR 22 H TYR 22 -1.477 -1.786 -0.484
196 HA TYR 22 HA TYR 22 -4.033 -2.970 0.070
197 HB2 TYR 22 2HB TYR 22 -2.318 -3.047 1.775
198 HB3 TYR 22 3HB TYR 22 -2.181 -1.294 1.773
199 HD1 TYR 22 2HD TYR 22 -4.358 -4.127 2.699
200 HD2 TYR 22 1HD TYR 22 -3.688 0.062 3.027
201 HE1 TYR 22 2HE TYR 22 -6.057 -4.000 4.473
202 HE2 TYR 22 1HE TYR 22 -5.384 0.200 4.802
203 HH TYR 22 HH TYR 22 -6.651 -2.546 6.352
204 H ILE 23 H ILE 23 -2.765 0.304 -0.280
205 HA ILE 23 HA ILE 23 -5.079 1.687 0.532
206 HB ILE 23 HB ILE 23 -4.151 3.625 -0.624
207 HG12 ILE 23 1HG1 ILE 23 -2.036 1.741 -1.683
208 HG13 ILE 23 2HG1 ILE 23 -3.369 2.376 -2.641
209 HG21 ILE 23 1HG2 ILE 23 -2.999 2.242 1.471
210 HG22 ILE 23 2HG2 ILE 23 -1.637 2.618 0.416
211 HG23 ILE 23 3HG2 ILE 23 -2.671 3.914 1.018
212 HD11 ILE 23 3HD1 ILE 23 -1.200 3.555 -2.948
213 HD12 ILE 23 1HD1 ILE 23 -2.538 4.595 -2.460
214 HD13 ILE 23 2HD1 ILE 23 -1.325 4.104 -1.277
215 H LYS 24 H LYS 24 -4.240 0.087 -2.425
216 HA LYS 24 HA LYS 24 -6.165 1.407 -4.076
217 HB2 LYS 24 1HB LYS 24 -4.503 -1.081 -4.370
218 HB3 LYS 24 2HB LYS 24 -5.737 -0.672 -5.555
219 HG2 LYS 24 1HG LYS 24 -4.623 1.455 -5.990
220 HG3 LYS 24 2HG LYS 24 -3.388 1.053 -4.794
221 HD2 LYS 24 1HD LYS 24 -2.919 -1.018 -6.173
222 HD3 LYS 24 2HD LYS 24 -3.939 -0.304 -7.424
223 HE2 LYS 24 1HE LYS 24 -2.414 1.759 -7.176
224 HE3 LYS 24 2HE LYS 24 -1.308 0.659 -6.352
225 HZ1 LYS 24 3HZ LYS 24 -1.021 0.983 -8.847
226 HZ2 LYS 24 1HZ LYS 24 -2.402 0.021 -9.021
227 HZ3 LYS 24 2HZ LYS 24 -1.024 -0.607 -8.266
228 H LEU 25 H LEU 25 -6.028 -1.907 -2.754
229 HA LEU 25 HA LEU 25 -8.663 -2.590 -3.463
230 HB2 LEU 25 1HB LEU 25 -8.392 -4.389 -1.737
231 HB3 LEU 25 2HB LEU 25 -7.149 -4.337 -2.985
232 HG LEU 25 HG LEU 25 -5.969 -2.858 -1.051
233 HD11 LEU 25 1HD1 LEU 25 -6.432 -4.611 0.947
234 HD12 LEU 25 2HD1 LEU 25 -8.042 -4.498 0.239
235 HD13 LEU 25 3HD1 LEU 25 -7.225 -3.042 0.805
236 HD21 LEU 25 3HD2 LEU 25 -5.864 -5.867 -1.134
237 HD22 LEU 25 1HD2 LEU 25 -4.584 -4.753 -0.655
238 HD23 LEU 25 2HD2 LEU 25 -5.102 -4.828 -2.339
239 H PHE 26 H PHE 26 -7.302 -1.157 -0.542
240 HA PHE 26 HA PHE 26 -9.450 -1.340 1.179
241 HB2 PHE 26 2HB PHE 26 -7.295 -0.466 1.894
242 HB3 PHE 26 3HB PHE 26 -7.494 0.944 0.858
243 HD1 PHE 26 1HD PHE 26 -9.434 -0.818 3.520
244 HD2 PHE 26 2HD PHE 26 -8.069 2.885 1.922
245 HE1 PHE 26 1HE PHE 26 -10.524 0.381 5.372
246 HE2 PHE 26 2HE PHE 26 -9.157 4.088 3.772
247 HZ PHE 26 HZ PHE 26 -10.386 2.837 5.500
248 H ILE 27 H ILE 27 -8.711 1.508 -0.843
249 HA ILE 27 HA ILE 27 -11.104 2.856 -0.408
250 HB ILE 27 HB ILE 27 -9.388 2.926 -2.893
251 HG12 ILE 27 1HG1 ILE 27 -8.156 3.445 -0.815
252 HG13 ILE 27 2HG1 ILE 27 -8.308 4.855 -1.858
253 HG21 ILE 27 1HG2 ILE 27 -10.573 5.416 -2.453
254 HG22 ILE 27 2HG2 ILE 27 -10.952 4.262 -3.731
255 HG23 ILE 27 3HG2 ILE 27 -11.861 4.234 -2.221
256 HD11 ILE 27 3HD1 ILE 27 -10.521 4.823 -0.087
257 HD12 ILE 27 1HD1 ILE 27 -9.050 4.576 0.852
258 HD13 ILE 27 2HD1 ILE 27 -9.204 5.989 -0.191
259 H MET 28 H MET 28 -10.309 0.326 -2.710
260 HA MET 28 HA MET 28 -12.589 0.546 -4.346
261 HB2 MET 28 1HB MET 28 -10.494 -0.775 -4.839
262 HB3 MET 28 2HB MET 28 -11.087 -1.999 -3.725
263 HG2 MET 28 1HG MET 28 -13.234 -1.791 -5.291
264 HG3 MET 28 2HG MET 28 -11.996 -1.304 -6.447
265 HE1 MET 28 3HE MET 28 -12.220 -4.765 -3.791
266 HE2 MET 28 1HE MET 28 -13.534 -3.672 -4.225
267 HE3 MET 28 2HE MET 28 -13.343 -5.202 -5.080
268 H ILE 29 H ILE 29 -11.998 -1.155 -1.324
269 HA ILE 29 HA ILE 29 -14.547 -2.498 -1.357
270 HB ILE 29 HB ILE 29 -12.558 -2.175 0.894
271 HG12 ILE 29 1HG1 ILE 29 -13.041 -4.658 -0.735
272 HG13 ILE 29 2HG1 ILE 29 -11.889 -3.435 -1.262
273 HG21 ILE 29 1HG2 ILE 29 -14.578 -2.686 1.938
274 HG22 ILE 29 2HG2 ILE 29 -15.092 -3.750 0.631
275 HG23 ILE 29 3HG2 ILE 29 -13.809 -4.259 1.728
276 HD11 ILE 29 3HD1 ILE 29 -11.800 -4.967 1.327
277 HD12 ILE 29 1HD1 ILE 29 -10.769 -5.220 -0.081
278 HD13 ILE 29 2HD1 ILE 29 -10.658 -3.717 0.835
279 H VAL 30 H VAL 30 -13.167 0.372 0.142
280 HA VAL 30 HA VAL 30 -15.242 0.932 1.950
281 HB VAL 30 HB VAL 30 -13.503 2.954 0.533
282 HG11 VAL 30 1HG1 VAL 30 -15.164 3.028 3.033
283 HG12 VAL 30 2HG1 VAL 30 -13.838 4.160 2.757
284 HG13 VAL 30 3HG1 VAL 30 -15.208 4.116 1.647
285 HG21 VAL 30 3HG2 VAL 30 -11.756 2.070 1.584
286 HG22 VAL 30 1HG2 VAL 30 -12.539 2.426 3.124
287 HG23 VAL 30 2HG2 VAL 30 -12.786 0.861 2.349
288 H GLY 31 H GLY 31 -14.737 1.965 -1.412
289 HA2 GLY 31 1HA GLY 31 -16.899 3.702 -1.656
290 HA3 GLY 31 2HA GLY 31 -16.207 2.772 -2.978
291 H LYS 32 H LYS 32 -16.817 0.190 -1.818
292 HA LYS 32 HA LYS 32 -19.408 -0.174 -2.884
293 HB2 LYS 32 1HB LYS 32 -17.775 -2.011 -1.123
294 HB3 LYS 32 2HB LYS 32 -19.206 -2.483 -2.031
295 HG2 LYS 32 1HG LYS 32 -17.032 -1.222 -3.578
296 HG3 LYS 32 2HG LYS 32 -16.710 -2.830 -2.924
297 HD2 LYS 32 1HD LYS 32 -18.448 -3.802 -4.136
298 HD3 LYS 32 2HD LYS 32 -19.252 -2.254 -4.406
299 HE2 LYS 32 1HE LYS 32 -18.282 -2.236 -6.412
300 HE3 LYS 32 2HE LYS 32 -16.762 -1.933 -5.574
301 HZ1 LYS 32 3HZ LYS 32 -16.084 -3.819 -6.512
302 HZ2 LYS 32 1HZ LYS 32 -17.651 -4.290 -6.941
303 HZ3 LYS 32 2HZ LYS 32 -17.062 -4.624 -5.390
304 H LYS 33 H LYS 33 -18.244 -0.477 0.475
305 HA LYS 33 HA LYS 33 -20.693 -0.899 1.700
306 HB2 LYS 33 1HB LYS 33 -18.340 0.639 2.817
307 HB3 LYS 33 2HB LYS 33 -19.641 -0.080 3.757
308 HG2 LYS 33 1HG LYS 33 -17.842 -1.701 1.980
309 HG3 LYS 33 2HG LYS 33 -17.466 -1.359 3.670
310 HD2 LYS 33 1HD LYS 33 -20.157 -2.272 3.515
311 HD3 LYS 33 2HD LYS 33 -19.137 -3.391 2.608
312 HE2 LYS 33 1HE LYS 33 -17.813 -3.874 4.479
313 HE3 LYS 33 2HE LYS 33 -18.381 -2.456 5.358
314 HZ1 LYS 33 3HZ LYS 33 -19.433 -4.343 6.292
315 HZ2 LYS 33 1HZ LYS 33 -19.895 -4.937 4.777
316 HZ3 LYS 33 2HZ LYS 33 -20.614 -3.535 5.391
317 H LYS 34 H LYS 34 -19.127 2.141 0.817
318 HA LYS 34 HA LYS 34 -20.865 3.913 2.088
319 HB2 LYS 34 1HB LYS 34 -18.667 4.141 0.442
320 HB3 LYS 34 2HB LYS 34 -19.957 4.815 -0.546
321 HG2 LYS 34 1HG LYS 34 -20.332 6.567 0.895
322 HG3 LYS 34 2HG LYS 34 -19.664 5.707 2.284
323 HD2 LYS 34 1HD LYS 34 -17.461 5.826 0.792
324 HD3 LYS 34 2HD LYS 34 -18.288 7.252 0.156
325 HE2 LYS 34 1HE LYS 34 -16.926 7.995 1.950
326 HE3 LYS 34 2HE LYS 34 -18.588 8.004 2.539
327 HZ1 LYS 34 3HZ LYS 34 -16.364 6.621 3.571
328 HZ2 LYS 34 1HZ LYS 34 -17.531 5.494 3.093
329 HZ3 LYS 34 2HZ LYS 34 -17.934 6.711 4.194
330 H LYS 35 H LYS 35 -21.263 2.027 -0.800
331 HA LYS 35 HA LYS 35 -22.995 1.750 -2.251
332 HB2 LYS 35 1HB LYS 35 -24.371 2.637 0.261
333 HB3 LYS 35 2HB LYS 35 -25.304 2.387 -1.208
334 HG2 LYS 35 1HG LYS 35 -23.463 0.249 -0.236
335 HG3 LYS 35 2HG LYS 35 -25.051 0.460 0.506
336 HD2 LYS 35 1HD LYS 35 -25.769 0.511 -2.073
337 HD3 LYS 35 2HD LYS 35 -24.324 -0.494 -2.202
338 HE2 LYS 35 1HE LYS 35 -25.990 -1.274 0.037
339 HE3 LYS 35 2HE LYS 35 -26.876 -1.326 -1.486
340 HZ1 LYS 35 3HZ LYS 35 -25.568 -2.976 -2.299
341 HZ2 LYS 35 1HZ LYS 35 -25.443 -3.348 -0.653
342 HZ3 LYS 35 2HZ LYS 35 -24.199 -2.501 -1.426
343 H LYS 36 H LYS 36 -21.865 3.586 -3.394
344 HA LYS 36 HA LYS 36 -21.959 5.478 -4.652
345 HB2 LYS 36 1HB LYS 36 -24.124 4.399 -5.324
346 HB3 LYS 36 2HB LYS 36 -24.930 5.384 -4.111
347 HG2 LYS 36 1HG LYS 36 -24.353 7.397 -5.266
348 HG3 LYS 36 2HG LYS 36 -23.332 6.509 -6.398
349 HD2 LYS 36 1HD LYS 36 -25.190 5.480 -7.424
350 HD3 LYS 36 2HD LYS 36 -26.273 5.953 -6.113
351 HE2 LYS 36 1HE LYS 36 -26.803 7.459 -7.798
352 HE3 LYS 36 2HE LYS 36 -25.673 8.368 -6.796
353 HZ1 LYS 36 3HZ LYS 36 -24.427 8.659 -8.585
354 HZ2 LYS 36 1HZ LYS 36 -25.461 7.701 -9.521
355 HZ3 LYS 36 2HZ LYS 36 -24.173 6.990 -8.688
Start of MODEL 14
1 H1 LYS 1 H LYS 1 31.537 10.202 11.790
2 HA LYS 1 HA LYS 1 29.656 10.706 13.037
3 HB2 LYS 1 1HB LYS 1 29.625 12.931 11.085
4 HB3 LYS 1 2HB LYS 1 28.065 12.482 11.762
5 HG2 LYS 1 1HG LYS 1 30.479 13.101 13.443
6 HG3 LYS 1 2HG LYS 1 29.280 14.307 12.970
7 HD2 LYS 1 1HD LYS 1 27.757 12.226 13.967
8 HD3 LYS 1 2HD LYS 1 29.159 12.267 15.040
9 HE2 LYS 1 1HE LYS 1 27.510 14.688 14.328
10 HE3 LYS 1 2HE LYS 1 27.233 13.699 15.761
11 HZ1 LYS 1 3HZ LYS 1 29.093 15.775 15.399
12 HZ2 LYS 1 1HZ LYS 1 29.940 14.342 15.703
13 HZ3 LYS 1 2HZ LYS 1 28.770 14.880 16.798
14 H LYS 2 H LYS 2 28.479 8.907 12.903
15 HA LYS 2 HA LYS 2 26.943 7.384 12.205
16 HB2 LYS 2 1HB LYS 2 26.047 9.452 10.197
17 HB3 LYS 2 2HB LYS 2 25.103 8.126 10.864
18 HG2 LYS 2 1HG LYS 2 26.117 10.509 12.403
19 HG3 LYS 2 2HG LYS 2 24.463 10.268 11.834
20 HD2 LYS 2 1HD LYS 2 24.527 8.085 13.181
21 HD3 LYS 2 2HD LYS 2 25.962 8.760 13.956
22 HE2 LYS 2 1HE LYS 2 24.748 10.571 14.852
23 HE3 LYS 2 2HE LYS 2 23.364 10.263 13.804
24 HZ1 LYS 2 3HZ LYS 2 24.152 8.932 16.281
25 HZ2 LYS 2 1HZ LYS 2 23.421 7.978 15.089
26 HZ3 LYS 2 2HZ LYS 2 22.610 9.326 15.708
27 H LYS 3 H LYS 3 26.301 6.010 10.342
28 HA LYS 3 HA LYS 3 28.310 6.089 8.189
29 HB2 LYS 3 1HB LYS 3 27.527 3.871 10.007
30 HB3 LYS 3 2HB LYS 3 27.842 3.456 8.327
31 HG2 LYS 3 1HG LYS 3 29.898 3.148 9.328
32 HG3 LYS 3 2HG LYS 3 30.038 4.773 8.654
33 HD2 LYS 3 1HD LYS 3 29.856 5.788 10.734
34 HD3 LYS 3 2HD LYS 3 29.080 4.379 11.463
35 HE2 LYS 3 1HE LYS 3 31.737 3.786 10.450
36 HE3 LYS 3 2HE LYS 3 31.752 5.072 11.655
37 HZ1 LYS 3 3HZ LYS 3 31.719 3.426 13.135
38 HZ2 LYS 3 1HZ LYS 3 31.274 2.263 11.989
39 HZ3 LYS 3 2HZ LYS 3 30.089 3.217 12.731
40 H LYS 4 H LYS 4 25.478 4.053 8.904
41 HA LYS 4 HA LYS 4 23.647 3.507 7.670
42 HB2 LYS 4 1HB LYS 4 24.063 6.298 6.582
43 HB3 LYS 4 2HB LYS 4 22.619 5.327 6.324
44 HG2 LYS 4 1HG LYS 4 22.983 5.326 9.080
45 HG3 LYS 4 2HG LYS 4 23.353 6.975 8.572
46 HD2 LYS 4 1HD LYS 4 21.203 6.995 7.310
47 HD3 LYS 4 2HD LYS 4 20.831 5.419 8.010
48 HE2 LYS 4 1HE LYS 4 19.729 7.089 9.318
49 HE3 LYS 4 2HE LYS 4 21.066 6.447 10.270
50 HZ1 LYS 4 3HZ LYS 4 22.386 8.383 9.599
51 HZ2 LYS 4 1HZ LYS 4 20.995 8.832 10.450
52 HZ3 LYS 4 2HZ LYS 4 21.052 9.009 8.769
53 H ASP 5 H ASP 5 22.800 3.667 5.200
54 HA ASP 5 HA ASP 5 24.961 3.411 3.291
55 HB2 ASP 5 1HB ASP 5 23.261 1.049 4.104
56 HB3 ASP 5 2HB ASP 5 24.200 1.101 2.614
57 H LYS 6 H LYS 6 23.968 2.622 1.103
58 HA LYS 6 HA LYS 6 21.787 4.424 0.535
59 HB2 LYS 6 1HB LYS 6 23.940 3.323 -0.917
60 HB3 LYS 6 2HB LYS 6 22.476 2.732 -1.690
61 HG2 LYS 6 1HG LYS 6 23.069 4.739 -2.786
62 HG3 LYS 6 2HG LYS 6 21.675 5.109 -1.770
63 HD2 LYS 6 1HD LYS 6 23.141 6.896 -1.409
64 HD3 LYS 6 2HD LYS 6 23.391 5.845 -0.013
65 HE2 LYS 6 1HE LYS 6 25.414 4.991 -0.916
66 HE3 LYS 6 2HE LYS 6 25.102 5.728 -2.487
67 HZ1 LYS 6 3HZ LYS 6 25.066 7.801 -0.680
68 HZ2 LYS 6 1HZ LYS 6 26.295 7.442 -1.787
69 HZ3 LYS 6 2HZ LYS 6 26.378 6.842 -0.208
70 H TRP 7 H TRP 7 22.339 0.920 0.308
71 HA TRP 7 HA TRP 7 19.778 0.251 -0.643
72 HB2 TRP 7 2HB TRP 7 20.318 -2.042 0.208
73 HB3 TRP 7 3HB TRP 7 21.570 -1.344 -0.816
74 HD1 TRP 7 1HD TRP 7 23.925 -0.861 0.279
75 HE1 TRP 7 1HE TRP 7 24.983 -1.529 2.529
76 HE3 TRP 7 3HE TRP 7 19.719 -2.447 2.715
77 HZ2 TRP 7 2HZ TRP 7 24.145 -2.589 5.007
78 HZ3 TRP 7 3HZ TRP 7 19.933 -3.273 5.022
79 HH2 TRP 7 2HH TRP 7 22.101 -3.342 6.142
80 H ALA 8 H ALA 8 20.946 1.036 2.522
81 HA ALA 8 HA ALA 8 19.107 -0.192 4.179
82 HB1 ALA 8 3HB ALA 8 20.907 0.962 5.178
83 HB2 ALA 8 1HB ALA 8 20.468 2.481 4.397
84 HB3 ALA 8 2HB ALA 8 19.450 1.821 5.677
85 H SER 9 H SER 9 18.814 2.981 2.586
86 HA SER 9 HA SER 9 16.265 3.613 3.561
87 HB2 SER 9 1HB SER 9 18.122 4.701 1.657
88 HB3 SER 9 2HB SER 9 16.498 4.731 0.971
89 HG SER 9 HG SER 9 17.283 6.557 2.407
90 H LEU 10 H LEU 10 17.281 1.841 0.681
91 HA LEU 10 HA LEU 10 14.847 1.620 -0.629
92 HB2 LEU 10 1HB LEU 10 17.334 0.710 -1.095
93 HB3 LEU 10 2HB LEU 10 16.553 -0.790 -0.600
94 HG LEU 10 HG LEU 10 15.451 0.949 -2.793
95 HD11 LEU 10 1HD1 LEU 10 17.595 0.431 -3.599
96 HD12 LEU 10 2HD1 LEU 10 16.531 -0.783 -4.308
97 HD13 LEU 10 3HD1 LEU 10 17.546 -1.199 -2.927
98 HD21 LEU 10 3HD2 LEU 10 15.048 -1.919 -1.963
99 HD22 LEU 10 1HD2 LEU 10 14.445 -1.235 -3.473
100 HD23 LEU 10 2HD2 LEU 10 13.865 -0.610 -1.929
101 H TRP 11 H TRP 11 16.065 -0.115 2.156
102 HA TRP 11 HA TRP 11 14.334 -2.279 2.236
103 HB2 TRP 11 2HB TRP 11 16.296 -1.765 3.782
104 HB3 TRP 11 3HB TRP 11 15.186 -0.740 4.687
105 HD1 TRP 11 1HD TRP 11 15.875 -4.423 3.880
106 HE1 TRP 11 1HE TRP 11 14.623 -5.884 5.590
107 HE3 TRP 11 3HE TRP 11 13.190 -0.776 6.252
108 HZ2 TRP 11 2HZ TRP 11 12.747 -5.536 7.669
109 HZ3 TRP 11 3HZ TRP 11 11.689 -1.424 8.091
110 HH2 TRP 11 2HH TRP 11 11.473 -3.756 8.783
111 H ASN 12 H ASN 12 13.819 1.047 3.302
112 HA ASN 12 HA ASN 12 11.381 0.694 4.623
113 HB2 ASN 12 1HB ASN 12 12.939 2.790 4.405
114 HB3 ASN 12 2HB ASN 12 11.920 3.168 3.019
115 HD21 ASN 12 2HD2 ASN 12 12.249 4.542 5.586
116 HD22 ASN 12 1HD2 ASN 12 10.667 4.642 6.271
117 H TRP 13 H TRP 13 12.135 1.020 1.215
118 HA TRP 13 HA TRP 13 9.581 1.554 0.219
119 HB2 TRP 13 2HB TRP 13 11.759 1.598 -1.065
120 HB3 TRP 13 3HB TRP 13 11.660 -0.159 -1.150
121 HD1 TRP 13 1HD TRP 13 9.867 2.992 -2.436
122 HE1 TRP 13 1HE TRP 13 8.504 2.353 -4.524
123 HE3 TRP 13 3HE TRP 13 10.562 -2.072 -2.341
124 HZ2 TRP 13 2HZ TRP 13 7.814 0.012 -5.942
125 HZ3 TRP 13 3HZ TRP 13 9.517 -3.439 -4.098
126 HH2 TRP 13 2HH TRP 13 8.171 -2.417 -5.860
127 H PHE 14 H PHE 14 10.892 -1.315 1.587
128 HA PHE 14 HA PHE 14 9.449 -3.334 0.388
129 HB2 PHE 14 2HB PHE 14 11.212 -3.538 2.207
130 HB3 PHE 14 3HB PHE 14 9.930 -3.189 3.363
131 HD1 PHE 14 2HD PHE 14 8.099 -4.780 3.704
132 HD2 PHE 14 1HD PHE 14 11.373 -5.660 1.129
133 HE1 PHE 14 2HE PHE 14 7.486 -7.163 3.743
134 HE2 PHE 14 1HE PHE 14 10.764 -8.043 1.165
135 HZ PHE 14 HZ PHE 14 8.819 -8.799 2.474
136 H ASP 15 H ASP 15 8.481 -1.552 3.322
137 HA ASP 15 HA ASP 15 5.930 -2.642 3.565
138 HB2 ASP 15 1HB ASP 15 6.988 -1.329 5.341
139 HB3 ASP 15 2HB ASP 15 6.872 0.124 4.351
140 H ILE 16 H ILE 16 7.064 0.102 1.669
141 HA ILE 16 HA ILE 16 4.502 1.024 0.879
142 HB ILE 16 HB ILE 16 7.237 1.419 -0.324
143 HG12 ILE 16 1HG1 ILE 16 6.643 3.820 0.468
144 HG13 ILE 16 2HG1 ILE 16 5.407 3.027 1.440
145 HG21 ILE 16 1HG2 ILE 16 6.080 1.832 -2.225
146 HG22 ILE 16 2HG2 ILE 16 4.571 2.145 -1.370
147 HG23 ILE 16 3HG2 ILE 16 5.817 3.391 -1.444
148 HD11 ILE 16 3HD1 ILE 16 7.585 3.514 2.592
149 HD12 ILE 16 1HD1 ILE 16 7.021 1.846 2.689
150 HD13 ILE 16 2HD1 ILE 16 8.310 2.277 1.567
151 H THR 17 H THR 17 6.627 -1.467 -0.297
152 HA THR 17 HA THR 17 5.736 -1.807 -2.897
153 HB THR 17 HB THR 17 6.251 -4.232 -1.225
154 HG1 THR 17 1HG THR 17 8.588 -3.592 -1.689
155 HG21 THR 17 3HG2 THR 17 6.016 -4.785 -3.469
156 HG22 THR 17 1HG2 THR 17 7.764 -4.620 -3.301
157 HG23 THR 17 2HG2 THR 17 6.821 -3.315 -4.020
158 H ASN 18 H ASN 18 4.439 -3.278 0.073
159 HA ASN 18 HA ASN 18 2.222 -4.447 -1.367
160 HB2 ASN 18 1HB ASN 18 3.528 -4.995 1.050
161 HB3 ASN 18 2HB ASN 18 1.917 -4.454 1.514
162 HD21 ASN 18 2HD2 ASN 18 3.509 -6.590 -0.825
163 HD22 ASN 18 1HD2 ASN 18 2.331 -7.850 -0.733
164 H TRP 19 H TRP 19 2.877 -1.587 0.476
165 HA TRP 19 HA TRP 19 0.361 -0.835 1.342
166 HB2 TRP 19 2HB TRP 19 2.431 0.391 1.884
167 HB3 TRP 19 3HB TRP 19 2.516 0.972 0.223
168 HD1 TRP 19 1HD TRP 19 -0.179 1.081 3.034
169 HE1 TRP 19 1HE TRP 19 -1.205 3.442 3.040
170 HE3 TRP 19 3HE TRP 19 2.474 3.130 -0.827
171 HZ2 TRP 19 2HZ TRP 19 -0.927 5.852 1.599
172 HZ3 TRP 19 3HZ TRP 19 2.034 5.469 -1.450
173 HH2 TRP 19 2HH TRP 19 0.367 6.801 -0.261
174 H LEU 20 H LEU 20 1.848 -0.304 -1.836
175 HA LEU 20 HA LEU 20 -0.214 1.205 -2.973
176 HB2 LEU 20 1HB LEU 20 2.120 -0.271 -3.903
177 HB3 LEU 20 2HB LEU 20 0.799 -0.269 -5.070
178 HG LEU 20 HG LEU 20 1.163 2.391 -4.115
179 HD11 LEU 20 1HD1 LEU 20 3.674 0.921 -4.823
180 HD12 LEU 20 2HD1 LEU 20 3.380 2.047 -3.499
181 HD13 LEU 20 3HD1 LEU 20 3.499 2.644 -5.154
182 HD21 LEU 20 3HD2 LEU 20 1.377 0.919 -6.703
183 HD22 LEU 20 1HD2 LEU 20 1.901 2.601 -6.607
184 HD23 LEU 20 2HD2 LEU 20 0.236 2.173 -6.212
185 H TRP 21 H TRP 21 0.062 -2.202 -2.373
186 HA TRP 21 HA TRP 21 -2.103 -2.929 -4.135
187 HB2 TRP 21 2HB TRP 21 -0.016 -4.306 -2.866
188 HB3 TRP 21 3HB TRP 21 -1.493 -4.922 -2.128
189 HD1 TRP 21 1HD TRP 21 0.287 -4.706 -5.524
190 HE1 TRP 21 1HE TRP 21 -0.729 -6.478 -7.090
191 HE3 TRP 21 3HE TRP 21 -3.561 -6.298 -2.559
192 HZ2 TRP 21 2HZ TRP 21 -2.877 -8.308 -7.071
193 HZ3 TRP 21 3HZ TRP 21 -5.051 -8.062 -3.407
194 HH2 TRP 21 2HH TRP 21 -4.716 -9.045 -5.617
195 H TYR 22 H TYR 22 -1.686 -2.088 -0.784
196 HA TYR 22 HA TYR 22 -4.247 -3.079 0.061
197 HB2 TYR 22 2HB TYR 22 -2.249 -2.819 1.569
198 HB3 TYR 22 3HB TYR 22 -2.480 -1.076 1.475
199 HD1 TYR 22 2HD TYR 22 -4.492 -0.039 2.472
200 HD2 TYR 22 1HD TYR 22 -3.656 -4.185 2.940
201 HE1 TYR 22 2HE TYR 22 -6.093 -0.145 4.337
202 HE2 TYR 22 1HE TYR 22 -5.255 -4.302 4.805
203 HH TYR 22 HH TYR 22 -7.503 -1.910 5.453
204 H ILE 23 H ILE 23 -2.904 0.047 -0.873
205 HA ILE 23 HA ILE 23 -5.127 1.631 -0.193
206 HB ILE 23 HB ILE 23 -4.210 3.311 -1.717
207 HG12 ILE 23 1HG1 ILE 23 -2.175 1.215 -2.502
208 HG13 ILE 23 2HG1 ILE 23 -3.549 1.675 -3.501
209 HG21 ILE 23 1HG2 ILE 23 -3.075 2.392 0.568
210 HG22 ILE 23 2HG2 ILE 23 -1.715 2.298 -0.549
211 HG23 ILE 23 3HG2 ILE 23 -2.546 3.833 -0.299
212 HD11 ILE 23 3HD1 ILE 23 -1.690 3.796 -2.566
213 HD12 ILE 23 1HD1 ILE 23 -1.186 2.730 -3.877
214 HD13 ILE 23 2HD1 ILE 23 -2.649 3.702 -4.042
215 H LYS 24 H LYS 24 -4.516 -0.481 -2.865
216 HA LYS 24 HA LYS 24 -6.465 0.623 -4.636
217 HB2 LYS 24 1HB LYS 24 -4.950 -1.972 -4.542
218 HB3 LYS 24 2HB LYS 24 -6.224 -1.710 -5.726
219 HG2 LYS 24 1HG LYS 24 -5.034 0.203 -6.622
220 HG3 LYS 24 2HG LYS 24 -3.777 0.015 -5.397
221 HD2 LYS 24 1HD LYS 24 -3.100 -2.086 -6.315
222 HD3 LYS 24 2HD LYS 24 -4.487 -2.118 -7.405
223 HE2 LYS 24 1HE LYS 24 -3.217 0.291 -7.960
224 HE3 LYS 24 2HE LYS 24 -1.900 -0.858 -7.733
225 HZ1 LYS 24 3HZ LYS 24 -3.909 -0.733 -9.826
226 HZ2 LYS 24 1HZ LYS 24 -3.526 -2.284 -9.270
227 HZ3 LYS 24 2HZ LYS 24 -2.311 -1.284 -9.889
228 H LEU 25 H LEU 25 -6.424 -2.382 -2.710
229 HA LEU 25 HA LEU 25 -9.151 -2.982 -3.164
230 HB2 LEU 25 1HB LEU 25 -8.854 -4.537 -1.217
231 HB3 LEU 25 2HB LEU 25 -7.724 -4.760 -2.552
232 HG LEU 25 HG LEU 25 -6.341 -3.076 -0.885
233 HD11 LEU 25 1HD1 LEU 25 -7.786 -5.079 0.843
234 HD12 LEU 25 2HD1 LEU 25 -8.074 -3.340 0.845
235 HD13 LEU 25 3HD1 LEU 25 -6.508 -3.974 1.350
236 HD21 LEU 25 3HD2 LEU 25 -4.918 -4.928 -0.511
237 HD22 LEU 25 1HD2 LEU 25 -5.632 -5.169 -2.105
238 HD23 LEU 25 2HD2 LEU 25 -6.238 -6.079 -0.721
239 H PHE 26 H PHE 26 -7.458 -1.233 -0.619
240 HA PHE 26 HA PHE 26 -9.447 -1.017 1.283
241 HB2 PHE 26 2HB PHE 26 -7.205 -0.191 1.696
242 HB3 PHE 26 3HB PHE 26 -7.392 1.040 0.452
243 HD1 PHE 26 2HD PHE 26 -8.570 -0.043 3.780
244 HD2 PHE 26 1HD PHE 26 -8.404 3.111 0.926
245 HE1 PHE 26 2HE PHE 26 -9.426 1.527 5.470
246 HE2 PHE 26 1HE PHE 26 -9.258 4.686 2.612
247 HZ PHE 26 HZ PHE 26 -9.771 3.895 4.887
248 H ILE 27 H ILE 27 -8.752 1.414 -1.236
249 HA ILE 27 HA ILE 27 -11.033 2.968 -0.808
250 HB ILE 27 HB ILE 27 -9.518 2.590 -3.394
251 HG12 ILE 27 1HG1 ILE 27 -8.100 3.319 -1.505
252 HG13 ILE 27 2HG1 ILE 27 -8.265 4.574 -2.728
253 HG21 ILE 27 1HG2 ILE 27 -11.557 3.621 -3.948
254 HG22 ILE 27 2HG2 ILE 27 -11.535 4.629 -2.503
255 HG23 ILE 27 3HG2 ILE 27 -10.395 4.941 -3.813
256 HD11 ILE 27 3HD1 ILE 27 -8.399 5.487 -0.480
257 HD12 ILE 27 1HD1 ILE 27 -9.917 5.709 -1.350
258 HD13 ILE 27 2HD1 ILE 27 -9.776 4.443 -0.130
259 H MET 28 H MET 28 -10.578 0.026 -2.629
260 HA MET 28 HA MET 28 -12.969 0.171 -4.153
261 HB2 MET 28 1HB MET 28 -11.011 -1.302 -4.671
262 HB3 MET 28 2HB MET 28 -11.470 -2.313 -3.308
263 HG2 MET 28 1HG MET 28 -13.777 -2.011 -4.876
264 HG3 MET 28 2HG MET 28 -12.452 -2.329 -5.991
265 HE1 MET 28 3HE MET 28 -15.069 -3.812 -3.760
266 HE2 MET 28 1HE MET 28 -14.309 -5.187 -2.959
267 HE3 MET 28 2HE MET 28 -13.871 -3.544 -2.493
268 H ILE 29 H ILE 29 -12.165 -1.178 -0.997
269 HA ILE 29 HA ILE 29 -14.752 -2.371 -0.619
270 HB ILE 29 HB ILE 29 -12.564 -1.827 1.390
271 HG12 ILE 29 1HG1 ILE 29 -13.270 -4.490 0.178
272 HG13 ILE 29 2HG1 ILE 29 -12.131 -3.405 -0.612
273 HG21 ILE 29 1HG2 ILE 29 -14.438 -2.118 2.705
274 HG22 ILE 29 2HG2 ILE 29 -15.190 -3.236 1.568
275 HG23 ILE 29 3HG2 ILE 29 -13.835 -3.770 2.562
276 HD11 ILE 29 3HD1 ILE 29 -11.324 -5.284 1.029
277 HD12 ILE 29 1HD1 ILE 29 -10.528 -3.711 0.975
278 HD13 ILE 29 2HD1 ILE 29 -11.695 -4.065 2.248
279 H VAL 30 H VAL 30 -13.164 0.624 0.306
280 HA VAL 30 HA VAL 30 -15.013 1.531 2.206
281 HB VAL 30 HB VAL 30 -13.362 3.192 0.296
282 HG11 VAL 30 1HG1 VAL 30 -15.085 3.850 2.617
283 HG12 VAL 30 2HG1 VAL 30 -13.561 4.725 2.461
284 HG13 VAL 30 3HG1 VAL 30 -14.746 4.778 1.156
285 HG21 VAL 30 3HG2 VAL 30 -12.584 1.487 2.435
286 HG22 VAL 30 1HG2 VAL 30 -11.577 2.541 1.443
287 HG23 VAL 30 2HG2 VAL 30 -12.305 3.156 2.927
288 H GLY 31 H GLY 31 -14.864 2.093 -1.306
289 HA2 GLY 31 1HA GLY 31 -17.064 3.785 -1.539
290 HA3 GLY 31 2HA GLY 31 -16.486 2.712 -2.805
291 H LYS 32 H LYS 32 -16.986 0.240 -1.893
292 HA LYS 32 HA LYS 32 -19.675 -0.166 -2.420
293 HB2 LYS 32 1HB LYS 32 -17.650 -1.883 -0.990
294 HB3 LYS 32 2HB LYS 32 -19.285 -2.440 -1.320
295 HG2 LYS 32 1HG LYS 32 -17.697 -1.359 -3.584
296 HG3 LYS 32 2HG LYS 32 -17.281 -2.955 -2.953
297 HD2 LYS 32 1HD LYS 32 -20.058 -2.975 -3.149
298 HD3 LYS 32 2HD LYS 32 -19.513 -2.144 -4.609
299 HE2 LYS 32 1HE LYS 32 -19.221 -4.199 -5.446
300 HE3 LYS 32 2HE LYS 32 -17.766 -4.243 -4.451
301 HZ1 LYS 32 3HZ LYS 32 -18.656 -5.760 -3.103
302 HZ2 LYS 32 1HZ LYS 32 -19.808 -6.010 -4.317
303 HZ3 LYS 32 2HZ LYS 32 -20.152 -4.974 -3.025
304 H LYS 33 H LYS 33 -18.030 0.025 0.717
305 HA LYS 33 HA LYS 33 -20.355 -0.463 2.270
306 HB2 LYS 33 1HB LYS 33 -17.728 0.854 2.973
307 HB3 LYS 33 2HB LYS 33 -18.979 0.466 4.148
308 HG2 LYS 33 1HG LYS 33 -17.531 -1.523 2.410
309 HG3 LYS 33 2HG LYS 33 -17.202 -1.208 4.115
310 HD2 LYS 33 1HD LYS 33 -19.986 -1.713 3.819
311 HD3 LYS 33 2HD LYS 33 -19.100 -2.987 2.979
312 HE2 LYS 33 1HE LYS 33 -17.702 -3.227 5.062
313 HE3 LYS 33 2HE LYS 33 -18.848 -2.151 5.861
314 HZ1 LYS 33 3HZ LYS 33 -19.077 -4.829 5.752
315 HZ2 LYS 33 1HZ LYS 33 -20.069 -4.360 4.464
316 HZ3 LYS 33 2HZ LYS 33 -20.367 -3.766 6.019
317 H LYS 34 H LYS 34 -18.890 2.415 0.924
318 HA LYS 34 HA LYS 34 -20.285 4.338 2.436
319 HB2 LYS 34 1HB LYS 34 -18.338 4.414 0.511
320 HB3 LYS 34 2HB LYS 34 -19.722 5.063 -0.357
321 HG2 LYS 34 1HG LYS 34 -19.419 7.027 0.606
322 HG3 LYS 34 2HG LYS 34 -19.634 6.295 2.197
323 HD2 LYS 34 1HD LYS 34 -17.372 6.066 2.547
324 HD3 LYS 34 2HD LYS 34 -17.005 6.006 0.821
325 HE2 LYS 34 1HE LYS 34 -17.880 8.477 0.869
326 HE3 LYS 34 2HE LYS 34 -17.492 8.364 2.585
327 HZ1 LYS 34 3HZ LYS 34 -15.639 9.245 1.314
328 HZ2 LYS 34 1HZ LYS 34 -15.603 7.854 0.350
329 HZ3 LYS 34 2HZ LYS 34 -15.231 7.752 1.998
330 H LYS 35 H LYS 35 -21.189 2.402 -0.313
331 HA LYS 35 HA LYS 35 -23.118 2.200 -1.505
332 HB2 LYS 35 1HB LYS 35 -23.807 1.975 1.048
333 HB3 LYS 35 2HB LYS 35 -24.679 3.462 0.701
334 HG2 LYS 35 1HG LYS 35 -26.261 2.395 -0.453
335 HG3 LYS 35 2HG LYS 35 -25.089 1.392 -1.308
336 HD2 LYS 35 1HD LYS 35 -25.278 -0.310 0.165
337 HD3 LYS 35 2HD LYS 35 -25.443 0.771 1.549
338 HE2 LYS 35 1HE LYS 35 -27.558 -0.067 1.502
339 HE3 LYS 35 2HE LYS 35 -27.774 1.279 0.384
340 HZ1 LYS 35 3HZ LYS 35 -26.849 -0.970 -1.033
341 HZ2 LYS 35 1HZ LYS 35 -28.315 -0.142 -1.205
342 HZ3 LYS 35 2HZ LYS 35 -28.191 -1.424 -0.108
343 H LYS 36 H LYS 36 -21.635 4.651 -1.823
344 HA LYS 36 HA LYS 36 -23.208 6.952 -1.841
345 HB2 LYS 36 1HB LYS 36 -21.605 7.875 -3.380
346 HB3 LYS 36 2HB LYS 36 -20.745 6.873 -2.219
347 HG2 LYS 36 1HG LYS 36 -19.769 5.911 -3.965
348 HG3 LYS 36 2HG LYS 36 -21.320 5.129 -4.282
349 HD2 LYS 36 1HD LYS 36 -21.790 7.468 -5.474
350 HD3 LYS 36 2HD LYS 36 -20.033 7.433 -5.638
351 HE2 LYS 36 1HE LYS 36 -21.680 5.047 -6.388
352 HE3 LYS 36 2HE LYS 36 -21.510 6.401 -7.505
353 HZ1 LYS 36 3HZ LYS 36 -19.807 4.340 -7.359
354 HZ2 LYS 36 1HZ LYS 36 -19.031 5.458 -6.355
355 HZ3 LYS 36 2HZ LYS 36 -19.396 5.868 -7.954
Start of MODEL 15
1 H1 LYS 1 H LYS 1 21.221 13.563 9.233
2 HA LYS 1 HA LYS 1 19.423 11.675 9.022
3 HB2 LYS 1 1HB LYS 1 18.728 13.744 7.037
4 HB3 LYS 1 2HB LYS 1 18.710 12.093 6.430
5 HG2 LYS 1 1HG LYS 1 16.511 12.794 7.215
6 HG3 LYS 1 2HG LYS 1 17.140 11.448 8.168
7 HD2 LYS 1 1HD LYS 1 17.286 12.682 10.053
8 HD3 LYS 1 2HD LYS 1 17.786 14.136 9.186
9 HE2 LYS 1 1HE LYS 1 15.105 13.545 8.456
10 HE3 LYS 1 2HE LYS 1 15.221 13.472 10.214
11 HZ1 LYS 1 3HZ LYS 1 16.637 15.715 9.426
12 HZ2 LYS 1 1HZ LYS 1 15.144 15.671 10.220
13 HZ3 LYS 1 2HZ LYS 1 15.203 15.742 8.530
14 H LYS 2 H LYS 2 21.136 13.259 6.319
15 HA LYS 2 HA LYS 2 22.790 12.536 4.936
16 HB2 LYS 2 1HB LYS 2 23.554 10.627 7.145
17 HB3 LYS 2 2HB LYS 2 24.596 11.294 5.894
18 HG2 LYS 2 1HG LYS 2 23.320 12.834 8.146
19 HG3 LYS 2 2HG LYS 2 25.016 12.357 8.033
20 HD2 LYS 2 1HD LYS 2 24.414 13.693 5.635
21 HD3 LYS 2 2HD LYS 2 23.693 14.655 6.927
22 HE2 LYS 2 1HE LYS 2 25.696 15.246 7.780
23 HE3 LYS 2 2HE LYS 2 26.415 13.669 7.457
24 HZ1 LYS 2 3HZ LYS 2 27.436 14.572 5.730
25 HZ2 LYS 2 1HZ LYS 2 26.649 16.050 5.968
26 HZ3 LYS 2 2HZ LYS 2 25.940 14.861 4.996
27 H LYS 3 H LYS 3 23.916 10.233 4.250
28 HA LYS 3 HA LYS 3 21.845 8.186 4.028
29 HB2 LYS 3 1HB LYS 3 22.365 8.041 1.530
30 HB3 LYS 3 2HB LYS 3 21.356 9.380 2.059
31 HG2 LYS 3 1HG LYS 3 24.196 10.025 2.047
32 HG3 LYS 3 2HG LYS 3 23.572 9.568 0.459
33 HD2 LYS 3 1HD LYS 3 21.617 11.205 1.144
34 HD3 LYS 3 2HD LYS 3 22.865 11.884 2.193
35 HE2 LYS 3 1HE LYS 3 23.633 11.353 -0.613
36 HE3 LYS 3 2HE LYS 3 22.483 12.663 -0.347
37 HZ1 LYS 3 3HZ LYS 3 24.052 13.953 0.545
38 HZ2 LYS 3 1HZ LYS 3 25.163 12.896 -0.169
39 HZ3 LYS 3 2HZ LYS 3 24.730 12.698 1.454
40 H LYS 4 H LYS 4 23.699 7.533 5.595
41 HA LYS 4 HA LYS 4 26.228 6.807 4.743
42 HB2 LYS 4 1HB LYS 4 24.437 6.047 6.939
43 HB3 LYS 4 2HB LYS 4 25.595 4.797 6.504
44 HG2 LYS 4 1HG LYS 4 26.963 7.286 6.620
45 HG3 LYS 4 2HG LYS 4 26.002 7.099 8.088
46 HD2 LYS 4 1HD LYS 4 27.928 5.049 6.994
47 HD3 LYS 4 2HD LYS 4 28.272 6.163 8.319
48 HE2 LYS 4 1HE LYS 4 26.016 5.096 9.256
49 HE3 LYS 4 2HE LYS 4 26.554 3.747 8.256
50 HZ1 LYS 4 3HZ LYS 4 28.688 3.814 9.435
51 HZ2 LYS 4 1HZ LYS 4 27.395 3.510 10.484
52 HZ3 LYS 4 2HZ LYS 4 28.100 5.047 10.433
53 H ASP 5 H ASP 5 23.472 4.559 5.049
54 HA ASP 5 HA ASP 5 24.727 2.872 2.997
55 HB2 ASP 5 1HB ASP 5 22.415 2.022 4.720
56 HB3 ASP 5 2HB ASP 5 23.622 1.021 3.919
57 H LYS 6 H LYS 6 23.813 2.606 1.059
58 HA LYS 6 HA LYS 6 21.450 4.131 0.408
59 HB2 LYS 6 1HB LYS 6 23.714 3.200 -0.995
60 HB3 LYS 6 2HB LYS 6 22.322 2.416 -1.732
61 HG2 LYS 6 1HG LYS 6 22.453 5.379 -1.256
62 HG3 LYS 6 2HG LYS 6 23.036 4.615 -2.737
63 HD2 LYS 6 1HD LYS 6 20.260 4.108 -1.721
64 HD3 LYS 6 2HD LYS 6 20.628 5.536 -2.692
65 HE2 LYS 6 1HE LYS 6 21.813 3.564 -4.148
66 HE3 LYS 6 2HE LYS 6 20.422 2.715 -3.475
67 HZ1 LYS 6 3HZ LYS 6 20.255 5.294 -4.934
68 HZ2 LYS 6 1HZ LYS 6 18.961 4.340 -4.409
69 HZ3 LYS 6 2HZ LYS 6 19.978 3.782 -5.639
70 H TRP 7 H TRP 7 22.279 0.807 1.005
71 HA TRP 7 HA TRP 7 20.094 -0.448 -0.232
72 HB2 TRP 7 2HB TRP 7 21.717 -1.263 2.187
73 HB3 TRP 7 3HB TRP 7 20.544 -2.308 1.388
74 HD1 TRP 7 1HD TRP 7 24.015 -0.778 0.895
75 HE1 TRP 7 1HE TRP 7 25.198 -2.021 -1.024
76 HE3 TRP 7 3HE TRP 7 20.111 -3.643 -0.742
77 HZ2 TRP 7 2HZ TRP 7 24.559 -3.960 -2.973
78 HZ3 TRP 7 3HZ TRP 7 20.480 -5.166 -2.640
79 HH2 TRP 7 2HH TRP 7 22.659 -5.319 -3.731
80 H ALA 8 H ALA 8 20.396 1.240 2.804
81 HA ALA 8 HA ALA 8 18.218 0.295 4.216
82 HB1 ALA 8 3HB ALA 8 19.192 3.147 4.088
83 HB2 ALA 8 1HB ALA 8 18.187 2.448 5.358
84 HB3 ALA 8 2HB ALA 8 19.842 1.880 5.128
85 H SER 9 H SER 9 18.307 2.764 1.677
86 HA SER 9 HA SER 9 15.638 3.587 1.839
87 HB2 SER 9 1HB SER 9 17.858 4.079 0.142
88 HB3 SER 9 2HB SER 9 16.501 3.637 -0.894
89 HG SER 9 HG SER 9 16.259 5.542 1.182
90 H LEU 10 H LEU 10 17.142 0.934 0.061
91 HA LEU 10 HA LEU 10 14.853 0.171 -1.407
92 HB2 LEU 10 1HB LEU 10 17.290 -0.496 -1.773
93 HB3 LEU 10 2HB LEU 10 17.027 -1.701 -0.516
94 HG LEU 10 HG LEU 10 15.156 -1.674 -2.827
95 HD11 LEU 10 1HD1 LEU 10 18.031 -2.535 -2.954
96 HD12 LEU 10 2HD1 LEU 10 17.149 -1.485 -4.061
97 HD13 LEU 10 3HD1 LEU 10 16.792 -3.212 -4.010
98 HD21 LEU 10 3HD2 LEU 10 15.289 -4.108 -2.457
99 HD22 LEU 10 1HD2 LEU 10 14.792 -3.228 -1.012
100 HD23 LEU 10 2HD2 LEU 10 16.445 -3.828 -1.154
101 H TRP 11 H TRP 11 16.220 -1.048 1.641
102 HA TRP 11 HA TRP 11 14.351 -3.054 2.134
103 HB2 TRP 11 2HB TRP 11 16.088 -1.376 3.920
104 HB3 TRP 11 3HB TRP 11 14.941 -2.518 4.614
105 HD1 TRP 11 1HD TRP 11 18.415 -2.420 3.965
106 HE1 TRP 11 1HE TRP 11 19.413 -4.740 3.468
107 HE3 TRP 11 3HE TRP 11 14.097 -4.959 2.942
108 HZ2 TRP 11 2HZ TRP 11 18.492 -7.306 2.740
109 HZ3 TRP 11 3HZ TRP 11 14.243 -7.344 2.353
110 HH2 TRP 11 2HH TRP 11 16.396 -8.491 2.254
111 H ASN 12 H ASN 12 14.281 0.380 3.016
112 HA ASN 12 HA ASN 12 11.910 0.314 4.519
113 HB2 ASN 12 1HB ASN 12 13.278 2.513 2.973
114 HB3 ASN 12 2HB ASN 12 11.797 2.793 3.884
115 HD21 ASN 12 2HD2 ASN 12 13.199 4.328 5.017
116 HD22 ASN 12 1HD2 ASN 12 14.152 3.753 6.339
117 H TRP 13 H TRP 13 12.494 0.576 1.070
118 HA TRP 13 HA TRP 13 9.960 1.401 0.232
119 HB2 TRP 13 2HB TRP 13 12.047 1.214 -1.182
120 HB3 TRP 13 3HB TRP 13 11.748 -0.520 -1.266
121 HD1 TRP 13 1HD TRP 13 10.244 2.824 -2.432
122 HE1 TRP 13 1HE TRP 13 8.695 2.361 -4.434
123 HE3 TRP 13 3HE TRP 13 10.373 -2.286 -2.393
124 HZ2 TRP 13 2HZ TRP 13 7.663 0.125 -5.814
125 HZ3 TRP 13 3HZ TRP 13 9.077 -3.512 -4.087
126 HH2 TRP 13 2HH TRP 13 7.750 -2.329 -5.761
127 H PHE 14 H PHE 14 11.020 -1.609 1.509
128 HA PHE 14 HA PHE 14 9.291 -3.444 0.394
129 HB2 PHE 14 2HB PHE 14 11.123 -3.879 2.090
130 HB3 PHE 14 3HB PHE 14 9.985 -3.369 3.333
131 HD1 PHE 14 1HD PHE 14 9.538 -5.486 0.300
132 HD2 PHE 14 2HD PHE 14 9.389 -5.231 4.546
133 HE1 PHE 14 1HE PHE 14 8.632 -7.772 0.402
134 HE2 PHE 14 2HE PHE 14 8.485 -7.517 4.655
135 HZ PHE 14 HZ PHE 14 8.105 -8.790 2.581
136 H ASP 15 H ASP 15 8.708 -1.592 3.388
137 HA ASP 15 HA ASP 15 6.070 -2.393 3.783
138 HB2 ASP 15 1HB ASP 15 7.367 -1.226 5.497
139 HB3 ASP 15 2HB ASP 15 7.368 0.238 4.519
140 H ILE 16 H ILE 16 7.387 0.224 1.827
141 HA ILE 16 HA ILE 16 4.901 1.435 1.199
142 HB ILE 16 HB ILE 16 7.586 1.534 -0.167
143 HG12 ILE 16 1HG1 ILE 16 7.313 3.978 0.666
144 HG13 ILE 16 2HG1 ILE 16 6.059 3.319 1.709
145 HG21 ILE 16 1HG2 ILE 16 6.331 3.663 -1.193
146 HG22 ILE 16 2HG2 ILE 16 6.373 2.093 -1.993
147 HG23 ILE 16 3HG2 ILE 16 4.961 2.562 -1.047
148 HD11 ILE 16 3HD1 ILE 16 8.341 3.548 2.728
149 HD12 ILE 16 1HD1 ILE 16 7.601 1.953 2.855
150 HD13 ILE 16 2HD1 ILE 16 8.861 2.248 1.657
151 H THR 17 H THR 17 6.660 -1.267 -0.112
152 HA THR 17 HA THR 17 5.582 -1.479 -2.654
153 HB THR 17 HB THR 17 5.921 -3.964 -1.023
154 HG1 THR 17 1HG THR 17 8.240 -3.688 -1.404
155 HG21 THR 17 3HG2 THR 17 5.492 -4.465 -3.250
156 HG22 THR 17 1HG2 THR 17 7.254 -4.498 -3.189
157 HG23 THR 17 2HG2 THR 17 6.421 -3.089 -3.845
158 H ASN 18 H ASN 18 4.329 -2.906 0.364
159 HA ASN 18 HA ASN 18 1.912 -3.788 -0.931
160 HB2 ASN 18 1HB ASN 18 3.250 -4.258 1.586
161 HB3 ASN 18 2HB ASN 18 1.547 -3.895 1.854
162 HD21 ASN 18 2HD2 ASN 18 -0.003 -5.135 0.533
163 HD22 ASN 18 1HD2 ASN 18 0.364 -6.788 0.188
164 H TRP 19 H TRP 19 2.971 -1.015 0.855
165 HA TRP 19 HA TRP 19 0.614 0.003 1.869
166 HB2 TRP 19 2HB TRP 19 2.772 1.044 2.305
167 HB3 TRP 19 3HB TRP 19 2.917 1.511 0.613
168 HD1 TRP 19 1HD TRP 19 0.223 2.105 3.363
169 HE1 TRP 19 1HE TRP 19 -0.474 4.581 3.253
170 HE3 TRP 19 3HE TRP 19 3.220 3.620 -0.491
171 HZ2 TRP 19 2HZ TRP 19 0.164 6.872 1.732
172 HZ3 TRP 19 3HZ TRP 19 3.116 5.970 -1.213
173 HH2 TRP 19 2HH TRP 19 1.618 7.561 -0.124
174 H LEU 20 H LEU 20 1.938 0.397 -1.404
175 HA LEU 20 HA LEU 20 -0.200 2.010 -2.348
176 HB2 LEU 20 1HB LEU 20 2.205 0.789 -3.420
177 HB3 LEU 20 2HB LEU 20 0.867 0.742 -4.566
178 HG LEU 20 HG LEU 20 0.786 3.338 -3.731
179 HD11 LEU 20 1HD1 LEU 20 3.362 3.861 -4.173
180 HD12 LEU 20 2HD1 LEU 20 3.535 2.308 -3.357
181 HD13 LEU 20 3HD1 LEU 20 2.698 3.636 -2.554
182 HD21 LEU 20 3HD2 LEU 20 0.710 2.385 -6.043
183 HD22 LEU 20 1HD2 LEU 20 2.472 2.324 -6.013
184 HD23 LEU 20 2HD2 LEU 20 1.642 3.875 -5.892
185 H TRP 21 H TRP 21 0.263 -1.404 -2.000
186 HA TRP 21 HA TRP 21 -1.846 -2.145 -3.815
187 HB2 TRP 21 2HB TRP 21 0.253 -3.484 -2.441
188 HB3 TRP 21 3HB TRP 21 -1.263 -4.241 -1.961
189 HD1 TRP 21 1HD TRP 21 1.204 -4.109 -4.766
190 HE1 TRP 21 1HE TRP 21 0.385 -5.569 -6.722
191 HE3 TRP 21 3HE TRP 21 -3.583 -4.967 -3.191
192 HZ2 TRP 21 2HZ TRP 21 -1.978 -6.906 -7.495
193 HZ3 TRP 21 3HZ TRP 21 -5.059 -6.346 -4.597
194 HH2 TRP 21 2HH TRP 21 -4.271 -7.295 -6.704
195 H TYR 22 H TYR 22 -1.562 -1.344 -0.457
196 HA TYR 22 HA TYR 22 -4.072 -2.526 0.313
197 HB2 TYR 22 2HB TYR 22 -2.335 -2.340 1.982
198 HB3 TYR 22 3HB TYR 22 -2.224 -0.600 1.735
199 HD1 TYR 22 2HD TYR 22 -4.182 -3.307 3.238
200 HD2 TYR 22 1HD TYR 22 -3.888 0.899 2.667
201 HE1 TYR 22 2HE TYR 22 -5.850 -2.954 5.010
202 HE2 TYR 22 1HE TYR 22 -5.555 1.263 4.438
203 HH TYR 22 HH TYR 22 -6.562 0.211 6.263
204 H ILE 23 H ILE 23 -2.880 0.738 -0.373
205 HA ILE 23 HA ILE 23 -5.219 2.145 0.252
206 HB ILE 23 HB ILE 23 -4.354 3.944 -1.151
207 HG12 ILE 23 1HG1 ILE 23 -2.207 1.989 -1.998
208 HG13 ILE 23 2HG1 ILE 23 -3.565 2.475 -3.008
209 HG21 ILE 23 1HG2 ILE 23 -1.788 3.264 -0.077
210 HG22 ILE 23 2HG2 ILE 23 -2.965 4.440 0.507
211 HG23 ILE 23 3HG2 ILE 23 -3.055 2.762 1.043
212 HD11 ILE 23 3HD1 ILE 23 -2.660 4.882 -2.527
213 HD12 ILE 23 1HD1 ILE 23 -1.161 4.017 -2.190
214 HD13 ILE 23 2HD1 ILE 23 -1.928 3.869 -3.772
215 H LYS 24 H LYS 24 -4.392 0.191 -2.482
216 HA LYS 24 HA LYS 24 -6.392 1.257 -4.241
217 HB2 LYS 24 1HB LYS 24 -4.640 -1.190 -4.307
218 HB3 LYS 24 2HB LYS 24 -5.887 -0.919 -5.518
219 HG2 LYS 24 1HG LYS 24 -4.827 1.187 -6.147
220 HG3 LYS 24 2HG LYS 24 -3.580 0.925 -4.927
221 HD2 LYS 24 1HD LYS 24 -3.002 -1.211 -6.100
222 HD3 LYS 24 2HD LYS 24 -4.119 -0.739 -7.384
223 HE2 LYS 24 1HE LYS 24 -2.453 1.478 -6.916
224 HE3 LYS 24 2HE LYS 24 -1.400 0.065 -6.952
225 HZ1 LYS 24 3HZ LYS 24 -1.663 0.986 -9.154
226 HZ2 LYS 24 1HZ LYS 24 -3.346 0.841 -9.055
227 HZ3 LYS 24 2HZ LYS 24 -2.379 -0.546 -9.087
228 H LEU 25 H LEU 25 -6.068 -1.897 -2.599
229 HA LEU 25 HA LEU 25 -8.678 -2.769 -3.162
230 HB2 LEU 25 1HB LEU 25 -8.291 -4.369 -1.280
231 HB3 LEU 25 2HB LEU 25 -7.056 -4.375 -2.538
232 HG LEU 25 HG LEU 25 -5.892 -2.689 -0.824
233 HD11 LEU 25 1HD1 LEU 25 -6.672 -2.709 1.254
234 HD12 LEU 25 2HD1 LEU 25 -6.726 -4.472 1.280
235 HD13 LEU 25 3HD1 LEU 25 -8.094 -3.558 0.645
236 HD21 LEU 25 3HD2 LEU 25 -4.961 -4.773 -1.752
237 HD22 LEU 25 1HD2 LEU 25 -5.841 -5.690 -0.529
238 HD23 LEU 25 2HD2 LEU 25 -4.574 -4.562 -0.043
239 H PHE 26 H PHE 26 -7.339 -0.947 -0.461
240 HA PHE 26 HA PHE 26 -9.432 -1.054 1.335
241 HB2 PHE 26 2HB PHE 26 -7.374 0.011 1.959
242 HB3 PHE 26 3HB PHE 26 -7.552 1.221 0.691
243 HD1 PHE 26 1HD PHE 26 -9.950 -0.041 3.248
244 HD2 PHE 26 2HD PHE 26 -7.766 3.274 1.710
245 HE1 PHE 26 1HE PHE 26 -11.096 1.448 4.837
246 HE2 PHE 26 2HE PHE 26 -8.908 4.767 3.298
247 HZ PHE 26 HZ PHE 26 -10.575 3.854 4.865
248 H ILE 27 H ILE 27 -8.911 1.570 -1.028
249 HA ILE 27 HA ILE 27 -11.363 2.835 -0.674
250 HB ILE 27 HB ILE 27 -9.732 2.690 -3.211
251 HG12 ILE 27 1HG1 ILE 27 -8.458 3.514 -1.261
252 HG13 ILE 27 2HG1 ILE 27 -8.724 4.781 -2.453
253 HG21 ILE 27 1HG2 ILE 27 -11.751 3.561 -3.912
254 HG22 ILE 27 2HG2 ILE 27 -12.062 4.358 -2.371
255 HG23 ILE 27 3HG2 ILE 27 -10.859 5.019 -3.479
256 HD11 ILE 27 3HD1 ILE 27 -9.332 4.806 0.294
257 HD12 ILE 27 1HD1 ILE 27 -9.644 6.058 -0.907
258 HD13 ILE 27 2HD1 ILE 27 -10.863 4.826 -0.581
259 H MET 28 H MET 28 -10.485 0.120 -2.735
260 HA MET 28 HA MET 28 -12.830 0.014 -4.279
261 HB2 MET 28 1HB MET 28 -10.697 -1.230 -4.732
262 HB3 MET 28 2HB MET 28 -11.129 -2.335 -3.433
263 HG2 MET 28 1HG MET 28 -13.379 -2.420 -4.920
264 HG3 MET 28 2HG MET 28 -12.172 -2.126 -6.170
265 HE1 MET 28 3HE MET 28 -14.080 -4.530 -4.279
266 HE2 MET 28 1HE MET 28 -13.104 -5.980 -4.053
267 HE3 MET 28 2HE MET 28 -12.864 -4.585 -3.002
268 H ILE 29 H ILE 29 -12.020 -1.365 -1.135
269 HA ILE 29 HA ILE 29 -14.493 -2.813 -0.912
270 HB ILE 29 HB ILE 29 -12.443 -2.152 1.206
271 HG12 ILE 29 1HG1 ILE 29 -12.847 -4.815 -0.135
272 HG13 ILE 29 2HG1 ILE 29 -11.787 -3.595 -0.835
273 HG21 ILE 29 1HG2 ILE 29 -14.541 -2.636 2.252
274 HG22 ILE 29 2HG2 ILE 29 -14.786 -4.045 1.221
275 HG23 ILE 29 3HG2 ILE 29 -13.500 -4.049 2.427
276 HD11 ILE 29 3HD1 ILE 29 -10.317 -4.867 0.380
277 HD12 ILE 29 1HD1 ILE 29 -10.701 -3.582 1.525
278 HD13 ILE 29 2HD1 ILE 29 -11.474 -5.160 1.678
279 H VAL 30 H VAL 30 -13.255 0.296 0.134
280 HA VAL 30 HA VAL 30 -15.268 0.932 1.997
281 HB VAL 30 HB VAL 30 -13.657 2.821 0.275
282 HG11 VAL 30 1HG1 VAL 30 -15.182 4.267 1.119
283 HG12 VAL 30 2HG1 VAL 30 -15.591 3.215 2.476
284 HG13 VAL 30 3HG1 VAL 30 -14.121 4.191 2.527
285 HG21 VAL 30 3HG2 VAL 30 -12.750 2.746 2.954
286 HG22 VAL 30 1HG2 VAL 30 -12.869 1.081 2.385
287 HG23 VAL 30 2HG2 VAL 30 -11.892 2.248 1.496
288 H GLY 31 H GLY 31 -14.981 1.603 -1.480
289 HA2 GLY 31 1HA GLY 31 -17.266 3.162 -1.800
290 HA3 GLY 31 2HA GLY 31 -16.565 2.143 -3.049
291 H LYS 32 H LYS 32 -16.940 -0.342 -1.649
292 HA LYS 32 HA LYS 32 -19.521 -1.004 -2.541
293 HB2 LYS 32 1HB LYS 32 -17.565 -2.430 -0.744
294 HB3 LYS 32 2HB LYS 32 -19.114 -3.134 -1.187
295 HG2 LYS 32 1HG LYS 32 -17.881 -2.255 -3.572
296 HG3 LYS 32 2HG LYS 32 -16.668 -3.134 -2.638
297 HD2 LYS 32 1HD LYS 32 -18.784 -4.776 -2.332
298 HD3 LYS 32 2HD LYS 32 -19.145 -4.098 -3.922
299 HE2 LYS 32 1HE LYS 32 -17.866 -5.995 -4.388
300 HE3 LYS 32 2HE LYS 32 -16.715 -4.665 -4.502
301 HZ1 LYS 32 3HZ LYS 32 -16.993 -5.950 -1.900
302 HZ2 LYS 32 1HZ LYS 32 -15.612 -5.338 -2.664
303 HZ3 LYS 32 2HZ LYS 32 -16.227 -6.849 -3.112
304 H LYS 33 H LYS 33 -18.309 0.031 0.568
305 HA LYS 33 HA LYS 33 -20.766 -0.609 1.953
306 HB2 LYS 33 1HB LYS 33 -18.514 1.111 2.982
307 HB3 LYS 33 2HB LYS 33 -19.701 0.210 3.916
308 HG2 LYS 33 1HG LYS 33 -17.513 -0.978 2.221
309 HG3 LYS 33 2HG LYS 33 -17.528 -0.872 3.982
310 HD2 LYS 33 1HD LYS 33 -19.608 -2.251 3.974
311 HD3 LYS 33 2HD LYS 33 -19.404 -2.459 2.233
312 HE2 LYS 33 1HE LYS 33 -17.467 -3.728 2.492
313 HE3 LYS 33 2HE LYS 33 -17.193 -3.148 4.134
314 HZ1 LYS 33 3HZ LYS 33 -18.005 -5.240 4.514
315 HZ2 LYS 33 1HZ LYS 33 -19.046 -5.218 3.181
316 HZ3 LYS 33 2HZ LYS 33 -19.441 -4.347 4.576
317 H LYS 34 H LYS 34 -19.038 2.351 1.001
318 HA LYS 34 HA LYS 34 -20.919 4.190 1.948
319 HB2 LYS 34 1HB LYS 34 -18.545 4.243 0.344
320 HB3 LYS 34 2HB LYS 34 -19.769 5.248 -0.417
321 HG2 LYS 34 1HG LYS 34 -19.906 5.931 2.264
322 HG3 LYS 34 2HG LYS 34 -18.180 5.737 1.947
323 HD2 LYS 34 1HD LYS 34 -18.337 7.280 0.070
324 HD3 LYS 34 2HD LYS 34 -20.075 7.442 0.329
325 HE2 LYS 34 1HE LYS 34 -19.462 9.253 1.522
326 HE3 LYS 34 2HE LYS 34 -19.160 8.065 2.789
327 HZ1 LYS 34 3HZ LYS 34 -17.230 9.342 2.697
328 HZ2 LYS 34 1HZ LYS 34 -17.205 9.382 1.005
329 HZ3 LYS 34 2HZ LYS 34 -16.826 7.951 1.823
330 H LYS 35 H LYS 35 -20.676 2.529 -1.164
331 HA LYS 35 HA LYS 35 -22.135 2.288 -2.892
332 HB2 LYS 35 1HB LYS 35 -23.507 1.633 -0.694
333 HB3 LYS 35 2HB LYS 35 -24.464 3.021 -1.193
334 HG2 LYS 35 1HG LYS 35 -25.476 1.841 -2.771
335 HG3 LYS 35 2HG LYS 35 -23.933 1.298 -3.436
336 HD2 LYS 35 1HD LYS 35 -23.843 -0.446 -1.678
337 HD3 LYS 35 2HD LYS 35 -25.444 0.061 -1.135
338 HE2 LYS 35 1HE LYS 35 -25.014 -0.670 -3.999
339 HE3 LYS 35 2HE LYS 35 -25.183 -1.944 -2.791
340 HZ1 LYS 35 3HZ LYS 35 -27.264 -0.558 -2.117
341 HZ2 LYS 35 1HZ LYS 35 -27.343 -1.634 -3.421
342 HZ3 LYS 35 2HZ LYS 35 -27.159 0.024 -3.702
343 H LYS 36 H LYS 36 -20.969 4.840 -2.598
344 HA LYS 36 HA LYS 36 -23.098 6.528 -3.738
345 HB2 LYS 36 1HB LYS 36 -22.230 7.160 -1.388
346 HB3 LYS 36 2HB LYS 36 -20.763 7.663 -2.218
347 HG2 LYS 36 1HG LYS 36 -23.426 8.694 -3.103
348 HG3 LYS 36 2HG LYS 36 -22.601 9.406 -1.715
349 HD2 LYS 36 1HD LYS 36 -21.280 10.579 -3.066
350 HD3 LYS 36 2HD LYS 36 -20.734 9.099 -3.859
351 HE2 LYS 36 1HE LYS 36 -22.692 9.182 -5.334
352 HE3 LYS 36 2HE LYS 36 -23.218 10.669 -4.547
353 HZ1 LYS 36 3HZ LYS 36 -21.045 10.242 -6.447
354 HZ2 LYS 36 1HZ LYS 36 -20.788 11.394 -5.234
355 HZ3 LYS 36 2HZ LYS 36 -22.101 11.553 -6.289
Start of MODEL 16
1 H1 LYS 1 H LYS 1 34.312 9.961 2.620
2 HA LYS 1 HA LYS 1 31.776 10.754 3.455
3 HB2 LYS 1 1HB LYS 1 33.995 12.084 2.748
4 HB3 LYS 1 2HB LYS 1 33.062 12.311 1.275
5 HG2 LYS 1 1HG LYS 1 32.680 14.186 2.687
6 HG3 LYS 1 2HG LYS 1 31.207 13.214 2.670
7 HD2 LYS 1 1HD LYS 1 31.286 13.258 4.898
8 HD3 LYS 1 2HD LYS 1 32.683 12.184 4.784
9 HE2 LYS 1 1HE LYS 1 34.183 14.081 4.779
10 HE3 LYS 1 2HE LYS 1 32.819 15.197 4.759
11 HZ1 LYS 1 3HZ LYS 1 34.089 14.348 6.979
12 HZ2 LYS 1 1HZ LYS 1 32.754 13.310 6.934
13 HZ3 LYS 1 2HZ LYS 1 32.522 14.985 6.948
14 H LYS 2 H LYS 2 29.865 11.232 2.384
15 HA LYS 2 HA LYS 2 28.195 10.983 0.861
16 HB2 LYS 2 1HB LYS 2 30.331 10.720 -1.251
17 HB3 LYS 2 2HB LYS 2 28.681 11.296 -1.450
18 HG2 LYS 2 1HG LYS 2 30.824 12.707 0.128
19 HG3 LYS 2 2HG LYS 2 30.343 13.105 -1.523
20 HD2 LYS 2 1HD LYS 2 27.973 13.350 -0.551
21 HD3 LYS 2 2HD LYS 2 28.776 13.400 1.020
22 HE2 LYS 2 1HE LYS 2 29.529 15.211 -1.262
23 HE3 LYS 2 2HE LYS 2 28.301 15.635 -0.070
24 HZ1 LYS 2 3HZ LYS 2 29.990 15.364 1.667
25 HZ2 LYS 2 1HZ LYS 2 30.417 16.565 0.554
26 HZ3 LYS 2 2HZ LYS 2 31.158 15.046 0.487
27 H LYS 3 H LYS 3 27.965 8.871 1.984
28 HA LYS 3 HA LYS 3 28.423 6.649 0.102
29 HB2 LYS 3 1HB LYS 3 29.836 6.408 2.086
30 HB3 LYS 3 2HB LYS 3 28.424 6.550 3.125
31 HG2 LYS 3 1HG LYS 3 28.015 4.381 2.964
32 HG3 LYS 3 2HG LYS 3 28.031 4.456 1.200
33 HD2 LYS 3 1HD LYS 3 30.613 4.491 2.702
34 HD3 LYS 3 2HD LYS 3 29.759 2.963 2.474
35 HE2 LYS 3 1HE LYS 3 29.677 3.556 0.004
36 HE3 LYS 3 2HE LYS 3 30.839 4.829 0.376
37 HZ1 LYS 3 3HZ LYS 3 31.515 2.335 -0.302
38 HZ2 LYS 3 1HZ LYS 3 31.525 2.203 1.384
39 HZ3 LYS 3 2HZ LYS 3 32.496 3.357 0.621
40 H LYS 4 H LYS 4 26.374 6.963 -0.842
41 HA LYS 4 HA LYS 4 23.953 7.164 0.544
42 HB2 LYS 4 1HB LYS 4 24.748 6.374 -2.216
43 HB3 LYS 4 2HB LYS 4 23.113 5.992 -1.696
44 HG2 LYS 4 1HG LYS 4 22.637 8.038 -2.460
45 HG3 LYS 4 2HG LYS 4 23.307 8.580 -0.919
46 HD2 LYS 4 1HD LYS 4 25.450 8.172 -2.756
47 HD3 LYS 4 2HD LYS 4 24.217 9.168 -3.536
48 HE2 LYS 4 1HE LYS 4 25.765 10.610 -2.403
49 HE3 LYS 4 2HE LYS 4 24.230 10.645 -1.539
50 HZ1 LYS 4 3HZ LYS 4 25.125 9.125 0.087
51 HZ2 LYS 4 1HZ LYS 4 26.134 10.479 -0.040
52 HZ3 LYS 4 2HZ LYS 4 26.586 9.016 -0.758
53 H ASP 5 H ASP 5 22.886 5.756 1.759
54 HA ASP 5 HA ASP 5 23.736 2.979 1.828
55 HB2 ASP 5 1HB ASP 5 21.576 4.269 3.498
56 HB3 ASP 5 2HB ASP 5 22.475 2.795 3.848
57 H LYS 6 H LYS 6 22.828 2.902 -0.493
58 HA LYS 6 HA LYS 6 20.136 2.937 -1.104
59 HB2 LYS 6 1HB LYS 6 22.486 1.451 -2.185
60 HB3 LYS 6 2HB LYS 6 20.881 0.976 -2.727
61 HG2 LYS 6 1HG LYS 6 21.675 3.850 -2.816
62 HG3 LYS 6 2HG LYS 6 22.249 2.739 -4.062
63 HD2 LYS 6 1HD LYS 6 19.344 2.832 -3.344
64 HD3 LYS 6 2HD LYS 6 20.031 4.042 -4.430
65 HE2 LYS 6 1HE LYS 6 20.932 1.448 -5.220
66 HE3 LYS 6 2HE LYS 6 19.177 1.419 -5.044
67 HZ1 LYS 6 3HZ LYS 6 20.566 2.352 -7.200
68 HZ2 LYS 6 1HZ LYS 6 20.088 3.763 -6.400
69 HZ3 LYS 6 2HZ LYS 6 18.929 2.628 -6.875
70 H TRP 7 H TRP 7 22.058 0.194 0.096
71 HA TRP 7 HA TRP 7 20.035 -1.719 0.124
72 HB2 TRP 7 2HB TRP 7 21.412 -2.831 1.910
73 HB3 TRP 7 3HB TRP 7 22.311 -2.395 0.459
74 HD1 TRP 7 1HD TRP 7 21.890 -1.360 4.135
75 HE1 TRP 7 1HE TRP 7 23.952 0.014 4.833
76 HE3 TRP 7 3HE TRP 7 24.172 -0.946 -0.421
77 HZ2 TRP 7 2HZ TRP 7 26.242 1.126 3.614
78 HZ3 TRP 7 3HZ TRP 7 26.296 0.288 -0.570
79 HH2 TRP 7 2HH TRP 7 27.307 1.303 1.408
80 H ALA 8 H ALA 8 20.677 0.921 2.297
81 HA ALA 8 HA ALA 8 18.922 -0.062 4.370
82 HB1 ALA 8 3HB ALA 8 19.539 1.815 5.612
83 HB2 ALA 8 1HB ALA 8 20.987 1.427 4.683
84 HB3 ALA 8 2HB ALA 8 19.941 2.752 4.173
85 H SER 9 H SER 9 18.817 2.390 1.823
86 HA SER 9 HA SER 9 16.324 3.505 2.522
87 HB2 SER 9 1HB SER 9 18.232 3.757 0.367
88 HB3 SER 9 2HB SER 9 16.586 3.738 -0.267
89 HG SER 9 HG SER 9 16.689 5.780 0.282
90 H LEU 10 H LEU 10 17.207 0.914 0.268
91 HA LEU 10 HA LEU 10 14.668 0.431 -0.792
92 HB2 LEU 10 1HB LEU 10 17.123 -0.571 -1.236
93 HB3 LEU 10 2HB LEU 10 16.412 -1.907 -0.335
94 HG LEU 10 HG LEU 10 14.746 -0.898 -2.532
95 HD11 LEU 10 1HD1 LEU 10 17.005 -2.586 -3.432
96 HD12 LEU 10 2HD1 LEU 10 17.320 -0.866 -3.209
97 HD13 LEU 10 3HD1 LEU 10 16.053 -1.394 -4.316
98 HD21 LEU 10 3HD2 LEU 10 14.092 -2.867 -1.360
99 HD22 LEU 10 1HD2 LEU 10 15.683 -3.597 -1.577
100 HD23 LEU 10 2HD2 LEU 10 14.624 -3.362 -2.968
101 H TRP 11 H TRP 11 16.149 -0.614 2.205
102 HA TRP 11 HA TRP 11 14.371 -2.656 2.907
103 HB2 TRP 11 2HB TRP 11 16.593 -1.811 4.033
104 HB3 TRP 11 3HB TRP 11 15.494 -0.830 4.999
105 HD1 TRP 11 1HD TRP 11 16.424 -4.495 4.330
106 HE1 TRP 11 1HE TRP 11 15.555 -5.926 6.286
107 HE3 TRP 11 3HE TRP 11 13.768 -0.917 6.836
108 HZ2 TRP 11 2HZ TRP 11 13.955 -5.582 8.586
109 HZ3 TRP 11 3HZ TRP 11 12.597 -1.550 8.905
110 HH2 TRP 11 2HH TRP 11 12.689 -3.835 9.760
111 H ASN 12 H ASN 12 14.057 0.811 3.037
112 HA ASN 12 HA ASN 12 11.724 0.763 4.733
113 HB2 ASN 12 1HB ASN 12 13.586 2.696 4.043
114 HB3 ASN 12 2HB ASN 12 12.132 3.208 3.192
115 HD21 ASN 12 2HD2 ASN 12 10.219 3.580 4.417
116 HD22 ASN 12 1HD2 ASN 12 10.322 4.014 6.086
117 H TRP 13 H TRP 13 12.426 1.031 1.297
118 HA TRP 13 HA TRP 13 9.896 1.775 0.380
119 HB2 TRP 13 2HB TRP 13 12.034 1.669 -0.965
120 HB3 TRP 13 3HB TRP 13 11.797 -0.074 -1.068
121 HD1 TRP 13 1HD TRP 13 10.220 3.224 -2.265
122 HE1 TRP 13 1HE TRP 13 8.755 2.722 -4.321
123 HE3 TRP 13 3HE TRP 13 10.522 -1.879 -2.249
124 HZ2 TRP 13 2HZ TRP 13 7.848 0.461 -5.747
125 HZ3 TRP 13 3HZ TRP 13 9.326 -3.137 -3.993
126 HH2 TRP 13 2HH TRP 13 8.016 -1.990 -5.704
127 H PHE 14 H PHE 14 11.016 -1.206 1.675
128 HA PHE 14 HA PHE 14 9.388 -3.091 0.493
129 HB2 PHE 14 2HB PHE 14 11.183 -3.263 2.419
130 HB3 PHE 14 3HB PHE 14 9.764 -3.180 3.458
131 HD1 PHE 14 1HD PHE 14 10.927 -4.991 0.410
132 HD2 PHE 14 2HD PHE 14 8.802 -5.160 4.094
133 HE1 PHE 14 1HE PHE 14 10.553 -7.401 0.079
134 HE2 PHE 14 2HE PHE 14 8.424 -7.569 3.770
135 HZ PHE 14 HZ PHE 14 9.301 -8.693 1.761
136 H ASP 15 H ASP 15 8.641 -1.280 3.476
137 HA ASP 15 HA ASP 15 6.021 -2.173 3.777
138 HB2 ASP 15 1HB ASP 15 7.374 -0.886 5.465
139 HB3 ASP 15 2HB ASP 15 7.028 0.573 4.539
140 H ILE 16 H ILE 16 7.312 0.501 1.880
141 HA ILE 16 HA ILE 16 4.809 1.631 1.174
142 HB ILE 16 HB ILE 16 7.533 1.829 -0.099
143 HG12 ILE 16 1HG1 ILE 16 7.149 4.258 0.737
144 HG13 ILE 16 2HG1 ILE 16 5.883 3.549 1.734
145 HG21 ILE 16 1HG2 ILE 16 6.242 3.922 -1.155
146 HG22 ILE 16 2HG2 ILE 16 6.364 2.359 -1.962
147 HG23 ILE 16 3HG2 ILE 16 4.906 2.776 -1.062
148 HD11 ILE 16 3HD1 ILE 16 8.122 3.850 2.831
149 HD12 ILE 16 1HD1 ILE 16 7.433 2.229 2.924
150 HD13 ILE 16 2HD1 ILE 16 8.721 2.576 1.771
151 H THR 17 H THR 17 6.702 -1.001 -0.090
152 HA THR 17 HA THR 17 5.718 -1.233 -2.668
153 HB THR 17 HB THR 17 6.088 -3.715 -1.040
154 HG1 THR 17 1HG THR 17 8.406 -3.359 -1.339
155 HG21 THR 17 3HG2 THR 17 6.650 -2.806 -3.838
156 HG22 THR 17 1HG2 THR 17 5.751 -4.217 -3.285
157 HG23 THR 17 2HG2 THR 17 7.510 -4.189 -3.163
158 H ASN 18 H ASN 18 4.418 -2.736 0.293
159 HA ASN 18 HA ASN 18 2.075 -3.684 -1.087
160 HB2 ASN 18 1HB ASN 18 3.363 -4.577 1.100
161 HB3 ASN 18 2HB ASN 18 2.119 -3.605 1.879
162 HD21 ASN 18 2HD2 ASN 18 2.860 -6.590 0.651
163 HD22 ASN 18 1HD2 ASN 18 1.262 -7.230 0.498
164 H TRP 19 H TRP 19 2.978 -0.895 0.757
165 HA TRP 19 HA TRP 19 0.552 0.032 1.696
166 HB2 TRP 19 2HB TRP 19 2.706 1.114 2.185
167 HB3 TRP 19 3HB TRP 19 2.805 1.674 0.518
168 HD1 TRP 19 1HD TRP 19 -0.044 1.941 3.158
169 HE1 TRP 19 1HE TRP 19 -0.802 4.398 3.244
170 HE3 TRP 19 3HE TRP 19 3.212 3.916 -0.253
171 HZ2 TRP 19 2HZ TRP 19 -0.113 6.850 2.027
172 HZ3 TRP 19 3HZ TRP 19 3.096 6.326 -0.735
173 HH2 TRP 19 2HH TRP 19 1.467 7.761 0.382
174 H LEU 20 H LEU 20 1.970 0.466 -1.528
175 HA LEU 20 HA LEU 20 -0.136 2.060 -2.549
176 HB2 LEU 20 1HB LEU 20 2.304 0.874 -3.515
177 HB3 LEU 20 2HB LEU 20 1.009 0.674 -4.694
178 HG LEU 20 HG LEU 20 0.855 3.346 -3.918
179 HD11 LEU 20 1HD1 LEU 20 3.028 3.206 -2.857
180 HD12 LEU 20 2HD1 LEU 20 3.130 4.178 -4.324
181 HD13 LEU 20 3HD1 LEU 20 3.725 2.519 -4.325
182 HD21 LEU 20 3HD2 LEU 20 1.491 3.788 -6.192
183 HD22 LEU 20 1HD2 LEU 20 0.491 2.336 -6.156
184 HD23 LEU 20 2HD2 LEU 20 2.240 2.198 -6.337
185 H TRP 21 H TRP 21 0.284 -1.353 -2.137
186 HA TRP 21 HA TRP 21 -1.809 -2.090 -3.979
187 HB2 TRP 21 2HB TRP 21 0.288 -3.434 -2.649
188 HB3 TRP 21 3HB TRP 21 -1.210 -4.160 -2.073
189 HD1 TRP 21 1HD TRP 21 0.904 -3.756 -5.228
190 HE1 TRP 21 1HE TRP 21 0.062 -5.416 -7.006
191 HE3 TRP 21 3HE TRP 21 -3.297 -5.433 -2.846
192 HZ2 TRP 21 2HZ TRP 21 -2.099 -7.200 -7.353
193 HZ3 TRP 21 3HZ TRP 21 -4.698 -7.116 -3.969
194 HH2 TRP 21 2HH TRP 21 -4.109 -7.979 -6.176
195 H TYR 22 H TYR 22 -1.542 -1.283 -0.621
196 HA TYR 22 HA TYR 22 -4.056 -2.453 0.145
197 HB2 TYR 22 2HB TYR 22 -2.143 -2.117 1.725
198 HB3 TYR 22 3HB TYR 22 -2.422 -0.382 1.623
199 HD1 TYR 22 2HD TYR 22 -4.421 -3.483 2.262
200 HD2 TYR 22 1HD TYR 22 -3.619 0.552 3.351
201 HE1 TYR 22 2HE TYR 22 -6.075 -3.650 4.074
202 HE2 TYR 22 1HE TYR 22 -5.271 0.396 5.167
203 HH TYR 22 HH TYR 22 -7.568 -1.507 5.407
204 H ILE 23 H ILE 23 -2.877 0.776 -0.669
205 HA ILE 23 HA ILE 23 -5.214 2.203 -0.041
206 HB ILE 23 HB ILE 23 -4.358 3.960 -1.529
207 HG12 ILE 23 1HG1 ILE 23 -2.133 2.030 -2.212
208 HG13 ILE 23 2HG1 ILE 23 -3.497 2.359 -3.274
209 HG21 ILE 23 1HG2 ILE 23 -3.169 2.962 0.775
210 HG22 ILE 23 2HG2 ILE 23 -1.824 3.272 -0.322
211 HG23 ILE 23 3HG2 ILE 23 -2.949 4.568 0.082
212 HD11 ILE 23 3HD1 ILE 23 -2.810 4.554 -3.660
213 HD12 ILE 23 1HD1 ILE 23 -1.720 4.551 -2.274
214 HD13 ILE 23 2HD1 ILE 23 -1.325 3.606 -3.710
215 H LYS 24 H LYS 24 -4.395 0.185 -2.731
216 HA LYS 24 HA LYS 24 -6.395 1.207 -4.513
217 HB2 LYS 24 1HB LYS 24 -4.688 -1.277 -4.515
218 HB3 LYS 24 2HB LYS 24 -5.903 -0.977 -5.750
219 HG2 LYS 24 1HG LYS 24 -4.765 1.091 -6.373
220 HG3 LYS 24 2HG LYS 24 -3.547 0.796 -5.131
221 HD2 LYS 24 1HD LYS 24 -2.861 -1.246 -6.256
222 HD3 LYS 24 2HD LYS 24 -4.126 -1.026 -7.467
223 HE2 LYS 24 1HE LYS 24 -2.092 1.119 -7.014
224 HE3 LYS 24 2HE LYS 24 -1.682 -0.292 -7.988
225 HZ1 LYS 24 3HZ LYS 24 -4.106 0.501 -8.950
226 HZ2 LYS 24 1HZ LYS 24 -2.605 0.806 -9.668
227 HZ3 LYS 24 2HZ LYS 24 -3.309 1.962 -8.655
228 H LEU 25 H LEU 25 -6.087 -1.878 -2.743
229 HA LEU 25 HA LEU 25 -8.707 -2.755 -3.286
230 HB2 LEU 25 1HB LEU 25 -8.320 -4.306 -1.362
231 HB3 LEU 25 2HB LEU 25 -7.097 -4.359 -2.630
232 HG LEU 25 HG LEU 25 -5.937 -2.611 -0.941
233 HD11 LEU 25 1HD1 LEU 25 -6.685 -4.438 1.157
234 HD12 LEU 25 2HD1 LEU 25 -8.089 -3.561 0.553
235 HD13 LEU 25 3HD1 LEU 25 -6.686 -2.674 1.147
236 HD21 LEU 25 3HD2 LEU 25 -4.456 -4.336 -0.395
237 HD22 LEU 25 1HD2 LEU 25 -5.139 -4.826 -1.946
238 HD23 LEU 25 2HD2 LEU 25 -5.721 -5.565 -0.453
239 H PHE 26 H PHE 26 -7.337 -0.863 -0.650
240 HA PHE 26 HA PHE 26 -9.413 -0.908 1.168
241 HB2 PHE 26 2HB PHE 26 -7.330 0.167 1.719
242 HB3 PHE 26 3HB PHE 26 -7.550 1.356 0.439
243 HD1 PHE 26 2HD PHE 26 -9.204 0.118 3.538
244 HD2 PHE 26 1HD PHE 26 -8.424 3.418 0.966
245 HE1 PHE 26 2HE PHE 26 -10.321 1.621 5.134
246 HE2 PHE 26 1HE PHE 26 -9.540 4.927 2.559
247 HZ PHE 26 HZ PHE 26 -10.492 4.028 4.644
248 H ILE 27 H ILE 27 -8.906 1.653 -1.264
249 HA ILE 27 HA ILE 27 -11.337 2.945 -0.932
250 HB ILE 27 HB ILE 27 -9.755 2.676 -3.490
251 HG12 ILE 27 1HG1 ILE 27 -8.440 3.573 -1.605
252 HG13 ILE 27 2HG1 ILE 27 -8.721 4.793 -2.843
253 HG21 ILE 27 1HG2 ILE 27 -12.059 4.398 -2.686
254 HG22 ILE 27 2HG2 ILE 27 -10.869 5.001 -3.838
255 HG23 ILE 27 3HG2 ILE 27 -11.777 3.533 -4.198
256 HD11 ILE 27 3HD1 ILE 27 -8.998 5.798 -0.700
257 HD12 ILE 27 1HD1 ILE 27 -10.585 5.673 -1.459
258 HD13 ILE 27 2HD1 ILE 27 -10.119 4.534 -0.195
259 H MET 28 H MET 28 -10.561 0.060 -2.751
260 HA MET 28 HA MET 28 -12.931 -0.062 -4.292
261 HB2 MET 28 1HB MET 28 -10.816 -1.357 -4.720
262 HB3 MET 28 2HB MET 28 -11.249 -2.395 -3.368
263 HG2 MET 28 1HG MET 28 -13.523 -2.471 -4.848
264 HG3 MET 28 2HG MET 28 -12.293 -2.319 -6.100
265 HE1 MET 28 3HE MET 28 -12.396 -4.812 -2.603
266 HE2 MET 28 1HE MET 28 -13.828 -4.065 -3.312
267 HE3 MET 28 2HE MET 28 -13.497 -5.774 -3.589
268 H ILE 29 H ILE 29 -12.041 -1.410 -1.142
269 HA ILE 29 HA ILE 29 -14.492 -2.815 -0.769
270 HB ILE 29 HB ILE 29 -12.465 -1.923 1.287
271 HG12 ILE 29 1HG1 ILE 29 -12.785 -4.693 0.156
272 HG13 ILE 29 2HG1 ILE 29 -11.756 -3.501 -0.630
273 HG21 ILE 29 1HG2 ILE 29 -13.562 -4.038 2.427
274 HG22 ILE 29 2HG2 ILE 29 -14.253 -2.427 2.612
275 HG23 ILE 29 3HG2 ILE 29 -14.944 -3.553 1.445
276 HD11 ILE 29 3HD1 ILE 29 -11.365 -4.986 1.885
277 HD12 ILE 29 1HD1 ILE 29 -10.195 -4.472 0.671
278 HD13 ILE 29 2HD1 ILE 29 -10.804 -3.315 1.855
279 H VAL 30 H VAL 30 -13.333 0.395 0.063
280 HA VAL 30 HA VAL 30 -15.393 1.110 1.848
281 HB VAL 30 HB VAL 30 -13.792 2.919 0.032
282 HG11 VAL 30 1HG1 VAL 30 -15.532 4.249 0.791
283 HG12 VAL 30 2HG1 VAL 30 -15.616 3.425 2.350
284 HG13 VAL 30 3HG1 VAL 30 -14.283 4.527 2.003
285 HG21 VAL 30 3HG2 VAL 30 -12.890 3.057 2.694
286 HG22 VAL 30 1HG2 VAL 30 -13.019 1.345 2.292
287 HG23 VAL 30 2HG2 VAL 30 -12.034 2.414 1.293
288 H GLY 31 H GLY 31 -15.051 1.564 -1.660
289 HA2 GLY 31 1HA GLY 31 -17.315 3.070 -2.166
290 HA3 GLY 31 2HA GLY 31 -16.634 1.903 -3.289
291 H LYS 32 H LYS 32 -17.071 -0.371 -1.521
292 HA LYS 32 HA LYS 32 -19.761 -0.963 -2.305
293 HB2 LYS 32 1HB LYS 32 -17.765 -2.515 -0.648
294 HB3 LYS 32 2HB LYS 32 -19.329 -3.142 -1.151
295 HG2 LYS 32 1HG LYS 32 -18.305 -2.334 -3.528
296 HG3 LYS 32 2HG LYS 32 -16.843 -2.828 -2.669
297 HD2 LYS 32 1HD LYS 32 -19.161 -4.653 -2.481
298 HD3 LYS 32 2HD LYS 32 -18.388 -4.529 -4.062
299 HE2 LYS 32 1HE LYS 32 -16.463 -5.502 -3.349
300 HE3 LYS 32 2HE LYS 32 -16.602 -4.836 -1.722
301 HZ1 LYS 32 3HZ LYS 32 -18.266 -6.475 -1.200
302 HZ2 LYS 32 1HZ LYS 32 -16.884 -7.256 -1.785
303 HZ3 LYS 32 2HZ LYS 32 -18.240 -7.076 -2.781
304 H LYS 33 H LYS 33 -18.119 -0.656 0.840
305 HA LYS 33 HA LYS 33 -20.373 -1.055 2.450
306 HB2 LYS 33 1HB LYS 33 -17.941 0.648 3.031
307 HB3 LYS 33 2HB LYS 33 -19.082 0.045 4.227
308 HG2 LYS 33 1HG LYS 33 -17.292 -1.639 2.486
309 HG3 LYS 33 2HG LYS 33 -17.050 -1.286 4.198
310 HD2 LYS 33 1HD LYS 33 -19.555 -2.266 4.276
311 HD3 LYS 33 2HD LYS 33 -18.926 -3.155 2.886
312 HE2 LYS 33 1HE LYS 33 -18.117 -4.587 4.404
313 HE3 LYS 33 2HE LYS 33 -16.877 -3.366 4.686
314 HZ1 LYS 33 3HZ LYS 33 -19.275 -2.863 6.166
315 HZ2 LYS 33 1HZ LYS 33 -17.673 -2.948 6.704
316 HZ3 LYS 33 2HZ LYS 33 -18.590 -4.361 6.550
317 H LYS 34 H LYS 34 -18.999 1.921 1.105
318 HA LYS 34 HA LYS 34 -20.612 3.792 2.351
319 HB2 LYS 34 1HB LYS 34 -18.948 3.688 -0.038
320 HB3 LYS 34 2HB LYS 34 -20.324 4.766 -0.235
321 HG2 LYS 34 1HG LYS 34 -18.700 4.980 2.245
322 HG3 LYS 34 2HG LYS 34 -18.043 5.623 0.738
323 HD2 LYS 34 1HD LYS 34 -20.317 6.807 0.500
324 HD3 LYS 34 2HD LYS 34 -20.526 6.440 2.214
325 HE2 LYS 34 1HE LYS 34 -18.276 7.546 2.580
326 HE3 LYS 34 2HE LYS 34 -18.392 8.120 0.917
327 HZ1 LYS 34 3HZ LYS 34 -19.938 9.635 1.459
328 HZ2 LYS 34 1HZ LYS 34 -19.321 9.463 3.025
329 HZ3 LYS 34 2HZ LYS 34 -20.717 8.625 2.570
330 H LYS 35 H LYS 35 -21.368 1.586 -0.234
331 HA LYS 35 HA LYS 35 -23.692 2.838 -1.215
332 HB2 LYS 35 1HB LYS 35 -22.252 0.559 -1.831
333 HB3 LYS 35 2HB LYS 35 -23.784 -0.082 -1.251
334 HG2 LYS 35 1HG LYS 35 -24.164 0.142 -3.511
335 HG3 LYS 35 2HG LYS 35 -24.836 1.644 -2.870
336 HD2 LYS 35 1HD LYS 35 -23.557 2.648 -4.416
337 HD3 LYS 35 2HD LYS 35 -22.224 2.325 -3.306
338 HE2 LYS 35 1HE LYS 35 -21.771 0.220 -4.466
339 HE3 LYS 35 2HE LYS 35 -23.109 0.536 -5.570
340 HZ1 LYS 35 3HZ LYS 35 -21.699 2.768 -5.860
341 HZ2 LYS 35 1HZ LYS 35 -21.469 1.396 -6.823
342 HZ3 LYS 35 2HZ LYS 35 -20.445 1.689 -5.510
343 H LYS 36 H LYS 36 -25.916 1.836 -1.005
344 HA LYS 36 HA LYS 36 -26.581 1.720 1.816
345 HB2 LYS 36 1HB LYS 36 -28.145 2.031 -0.721
346 HB3 LYS 36 2HB LYS 36 -28.971 1.561 0.758
347 HG2 LYS 36 1HG LYS 36 -29.016 3.662 1.448
348 HG3 LYS 36 2HG LYS 36 -27.262 3.789 1.296
349 HD2 LYS 36 1HD LYS 36 -28.113 5.462 -0.117
350 HD3 LYS 36 2HD LYS 36 -27.673 4.138 -1.199
351 HE2 LYS 36 1HE LYS 36 -29.934 3.474 -1.448
352 HE3 LYS 36 2HE LYS 36 -30.455 4.499 -0.112
353 HZ1 LYS 36 3HZ LYS 36 -30.176 5.149 -2.859
354 HZ2 LYS 36 1HZ LYS 36 -29.233 6.186 -1.912
355 HZ3 LYS 36 2HZ LYS 36 -30.892 6.046 -1.617
Start of MODEL 17
1 H1 LYS 1 H LYS 1 26.346 7.288 14.873
2 HA LYS 1 HA LYS 1 26.756 8.525 12.248
3 HB2 LYS 1 1HB LYS 1 28.971 7.240 13.855
4 HB3 LYS 1 2HB LYS 1 29.116 7.910 12.235
5 HG2 LYS 1 1HG LYS 1 29.801 9.771 13.241
6 HG3 LYS 1 2HG LYS 1 28.107 10.019 13.667
7 HD2 LYS 1 1HD LYS 1 28.982 8.294 15.620
8 HD3 LYS 1 2HD LYS 1 30.386 9.332 15.357
9 HE2 LYS 1 1HE LYS 1 27.758 10.675 15.550
10 HE3 LYS 1 2HE LYS 1 28.383 9.952 17.032
11 HZ1 LYS 1 3HZ LYS 1 29.924 11.840 15.338
12 HZ2 LYS 1 1HZ LYS 1 30.349 11.259 16.870
13 HZ3 LYS 1 2HZ LYS 1 29.031 12.305 16.699
14 H LYS 2 H LYS 2 25.023 6.938 11.814
15 HA LYS 2 HA LYS 2 26.201 4.333 11.150
16 HB2 LYS 2 1HB LYS 2 24.925 3.890 13.131
17 HB3 LYS 2 2HB LYS 2 23.552 4.806 12.521
18 HG2 LYS 2 1HG LYS 2 23.085 2.458 12.354
19 HG3 LYS 2 2HG LYS 2 23.271 3.128 10.732
20 HD2 LYS 2 1HD LYS 2 24.740 1.497 10.344
21 HD3 LYS 2 2HD LYS 2 25.834 2.330 11.450
22 HE2 LYS 2 1HE LYS 2 24.435 1.028 13.266
23 HE3 LYS 2 2HE LYS 2 24.103 -0.050 11.911
24 HZ1 LYS 2 3HZ LYS 2 26.659 0.052 11.606
25 HZ2 LYS 2 1HZ LYS 2 26.002 -0.955 12.797
26 HZ3 LYS 2 2HZ LYS 2 26.666 0.539 13.226
27 H LYS 3 H LYS 3 25.973 3.896 9.064
28 HA LYS 3 HA LYS 3 23.990 5.396 7.515
29 HB2 LYS 3 1HB LYS 3 26.525 3.951 6.786
30 HB3 LYS 3 2HB LYS 3 25.348 4.398 5.558
31 HG2 LYS 3 1HG LYS 3 26.194 6.536 7.411
32 HG3 LYS 3 2HG LYS 3 27.399 5.956 6.259
33 HD2 LYS 3 1HD LYS 3 26.309 6.829 4.483
34 HD3 LYS 3 2HD LYS 3 24.717 6.468 5.150
35 HE2 LYS 3 1HE LYS 3 24.803 8.796 5.161
36 HE3 LYS 3 2HE LYS 3 25.213 8.358 6.818
37 HZ1 LYS 3 3HZ LYS 3 27.566 8.455 5.286
38 HZ2 LYS 3 1HZ LYS 3 27.125 9.422 6.603
39 HZ3 LYS 3 2HZ LYS 3 26.705 9.889 5.033
40 H LYS 4 H LYS 4 24.874 2.173 8.482
41 HA LYS 4 HA LYS 4 23.875 0.146 8.219
42 HB2 LYS 4 1HB LYS 4 21.577 2.048 7.929
43 HB3 LYS 4 2HB LYS 4 21.322 0.326 7.678
44 HG2 LYS 4 1HG LYS 4 22.708 0.395 10.046
45 HG3 LYS 4 2HG LYS 4 21.679 1.825 10.145
46 HD2 LYS 4 1HD LYS 4 19.708 0.512 9.781
47 HD3 LYS 4 2HD LYS 4 20.672 -0.924 9.429
48 HE2 LYS 4 1HE LYS 4 21.147 0.366 12.043
49 HE3 LYS 4 2HE LYS 4 19.581 -0.417 11.833
50 HZ1 LYS 4 3HZ LYS 4 20.504 -2.444 11.845
51 HZ2 LYS 4 1HZ LYS 4 21.808 -1.681 12.607
52 HZ3 LYS 4 2HZ LYS 4 21.853 -1.970 10.941
53 H ASP 5 H ASP 5 25.125 1.444 5.904
54 HA ASP 5 HA ASP 5 25.465 1.023 3.695
55 HB2 ASP 5 1HB ASP 5 24.456 -1.380 4.781
56 HB3 ASP 5 2HB ASP 5 23.625 -1.143 3.246
57 H LYS 6 H LYS 6 24.359 0.955 1.540
58 HA LYS 6 HA LYS 6 22.347 2.936 1.434
59 HB2 LYS 6 1HB LYS 6 24.102 1.722 -0.377
60 HB3 LYS 6 2HB LYS 6 22.494 1.345 -0.982
61 HG2 LYS 6 1HG LYS 6 23.183 3.357 -2.023
62 HG3 LYS 6 2HG LYS 6 21.960 3.787 -0.824
63 HD2 LYS 6 1HD LYS 6 23.555 5.381 -0.391
64 HD3 LYS 6 2HD LYS 6 24.057 4.110 0.727
65 HE2 LYS 6 1HE LYS 6 25.578 3.293 -1.145
66 HE3 LYS 6 2HE LYS 6 25.242 4.830 -1.940
67 HZ1 LYS 6 3HZ LYS 6 26.293 6.015 -0.254
68 HZ2 LYS 6 1HZ LYS 6 27.302 4.675 -0.475
69 HZ3 LYS 6 2HZ LYS 6 26.240 4.725 0.839
70 H TRP 7 H TRP 7 22.249 -0.529 1.565
71 HA TRP 7 HA TRP 7 19.771 -1.090 0.466
72 HB2 TRP 7 2HB TRP 7 21.353 -2.345 2.686
73 HB3 TRP 7 3HB TRP 7 19.740 -2.942 2.304
74 HD1 TRP 7 1HD TRP 7 23.267 -2.692 0.815
75 HE1 TRP 7 1HE TRP 7 23.457 -4.378 -1.120
76 HE3 TRP 7 3HE TRP 7 18.393 -4.217 0.586
77 HZ2 TRP 7 2HZ TRP 7 21.765 -6.123 -2.555
78 HZ3 TRP 7 3HZ TRP 7 17.761 -5.898 -1.096
79 HH2 TRP 7 2HH TRP 7 19.413 -6.828 -2.634
80 H ALA 8 H ALA 8 20.557 0.454 3.480
81 HA ALA 8 HA ALA 8 18.162 0.099 4.876
82 HB1 ALA 8 3HB ALA 8 18.797 2.156 6.099
83 HB2 ALA 8 1HB ALA 8 20.114 0.991 5.967
84 HB3 ALA 8 2HB ALA 8 20.089 2.416 4.929
85 H SER 9 H SER 9 18.987 2.233 2.244
86 HA SER 9 HA SER 9 16.704 3.940 2.538
87 HB2 SER 9 1HB SER 9 18.415 5.021 1.407
88 HB3 SER 9 2HB SER 9 18.849 3.586 0.479
89 HG SER 9 HG SER 9 17.657 4.393 -1.038
90 H LEU 10 H LEU 10 17.550 1.220 0.425
91 HA LEU 10 HA LEU 10 15.103 1.262 -1.027
92 HB2 LEU 10 1HB LEU 10 17.391 0.188 -1.617
93 HB3 LEU 10 2HB LEU 10 16.787 -1.189 -0.697
94 HG LEU 10 HG LEU 10 15.004 -0.157 -2.815
95 HD11 LEU 10 1HD1 LEU 10 16.215 -1.241 -4.601
96 HD12 LEU 10 2HD1 LEU 10 17.511 -1.688 -3.492
97 HD13 LEU 10 3HD1 LEU 10 17.222 0.010 -3.873
98 HD21 LEU 10 3HD2 LEU 10 15.796 -2.991 -2.611
99 HD22 LEU 10 1HD2 LEU 10 14.198 -2.264 -2.786
100 HD23 LEU 10 2HD2 LEU 10 14.976 -2.312 -1.204
101 H TRP 11 H TRP 11 16.151 -0.217 1.946
102 HA TRP 11 HA TRP 11 14.260 -2.236 2.231
103 HB2 TRP 11 2HB TRP 11 16.164 -1.962 3.752
104 HB3 TRP 11 3HB TRP 11 15.457 -0.478 4.383
105 HD1 TRP 11 1HD TRP 11 15.367 -4.215 4.789
106 HE1 TRP 11 1HE TRP 11 13.728 -4.838 6.673
107 HE3 TRP 11 3HE TRP 11 13.147 0.340 5.474
108 HZ2 TRP 11 2HZ TRP 11 11.755 -3.567 8.242
109 HZ3 TRP 11 3HZ TRP 11 11.392 0.551 7.186
110 HH2 TRP 11 2HH TRP 11 10.711 -1.364 8.540
111 H ASN 12 H ASN 12 14.001 1.222 2.819
112 HA ASN 12 HA ASN 12 11.556 1.230 4.194
113 HB2 ASN 12 1HB ASN 12 13.180 3.210 2.713
114 HB3 ASN 12 2HB ASN 12 11.467 3.591 2.866
115 HD21 ASN 12 2HD2 ASN 12 10.845 4.582 4.646
116 HD22 ASN 12 1HD2 ASN 12 11.738 4.671 6.121
117 H TRP 13 H TRP 13 12.312 1.019 0.784
118 HA TRP 13 HA TRP 13 9.813 1.639 -0.298
119 HB2 TRP 13 2HB TRP 13 11.978 1.301 -1.558
120 HB3 TRP 13 3HB TRP 13 11.719 -0.433 -1.394
121 HD1 TRP 13 1HD TRP 13 10.215 2.655 -3.128
122 HE1 TRP 13 1HE TRP 13 8.788 1.855 -5.114
123 HE3 TRP 13 3HE TRP 13 10.444 -2.387 -2.311
124 HZ2 TRP 13 2HZ TRP 13 7.879 -0.591 -6.193
125 HZ3 TRP 13 3HZ TRP 13 9.268 -3.887 -3.867
126 HH2 TRP 13 2HH TRP 13 8.013 -3.006 -5.766
127 H PHE 14 H PHE 14 10.862 -1.116 1.473
128 HA PHE 14 HA PHE 14 9.233 -3.144 0.559
129 HB2 PHE 14 2HB PHE 14 10.868 -3.588 2.262
130 HB3 PHE 14 3HB PHE 14 10.081 -2.479 3.380
131 HD1 PHE 14 1HD PHE 14 9.590 -5.668 1.550
132 HD2 PHE 14 2HD PHE 14 8.449 -3.241 4.856
133 HE1 PHE 14 1HE PHE 14 8.266 -7.532 2.458
134 HE2 PHE 14 2HE PHE 14 7.124 -5.102 5.769
135 HZ PHE 14 HZ PHE 14 7.031 -7.252 4.570
136 H ASP 15 H ASP 15 8.448 -0.884 3.205
137 HA ASP 15 HA ASP 15 5.810 -1.690 3.581
138 HB2 ASP 15 1HB ASP 15 7.047 -0.220 5.136
139 HB3 ASP 15 2HB ASP 15 6.953 1.086 3.957
140 H ILE 16 H ILE 16 7.180 0.642 1.323
141 HA ILE 16 HA ILE 16 4.708 1.673 0.392
142 HB ILE 16 HB ILE 16 7.462 1.643 -0.833
143 HG12 ILE 16 1HG1 ILE 16 7.093 4.177 -0.394
144 HG13 ILE 16 2HG1 ILE 16 5.796 3.644 0.671
145 HG21 ILE 16 1HG2 ILE 16 6.222 3.559 -2.231
146 HG22 ILE 16 2HG2 ILE 16 6.340 1.889 -2.783
147 HG23 ILE 16 3HG2 ILE 16 4.868 2.454 -1.993
148 HD11 ILE 16 3HD1 ILE 16 7.301 2.510 2.087
149 HD12 ILE 16 1HD1 ILE 16 8.619 2.656 0.924
150 HD13 ILE 16 2HD1 ILE 16 8.016 4.088 1.759
151 H THR 17 H THR 17 6.591 -1.142 -0.404
152 HA THR 17 HA THR 17 5.660 -1.763 -2.938
153 HB THR 17 HB THR 17 5.959 -3.965 -0.935
154 HG1 THR 17 1HG THR 17 8.343 -3.611 -1.471
155 HG21 THR 17 3HG2 THR 17 6.596 -3.508 -3.826
156 HG22 THR 17 1HG2 THR 17 5.662 -4.805 -3.082
157 HG23 THR 17 2HG2 THR 17 7.420 -4.780 -2.924
158 H ASN 18 H ASN 18 4.322 -2.944 0.156
159 HA ASN 18 HA ASN 18 1.974 -3.988 -1.121
160 HB2 ASN 18 1HB ASN 18 3.252 -4.475 1.269
161 HB3 ASN 18 2HB ASN 18 1.818 -3.588 1.779
162 HD21 ASN 18 2HD2 ASN 18 -0.101 -4.590 1.799
163 HD22 ASN 18 1HD2 ASN 18 -0.366 -6.216 1.277
164 H TRP 19 H TRP 19 2.884 -0.999 0.375
165 HA TRP 19 HA TRP 19 0.460 0.061 1.164
166 HB2 TRP 19 2HB TRP 19 2.555 1.217 1.576
167 HB3 TRP 19 3HB TRP 19 2.794 1.467 -0.152
168 HD1 TRP 19 1HD TRP 19 0.180 2.467 2.547
169 HE1 TRP 19 1HE TRP 19 -0.650 4.840 1.995
170 HE3 TRP 19 3HE TRP 19 2.777 3.249 -1.787
171 HZ2 TRP 19 2HZ TRP 19 -0.257 6.785 -0.012
172 HZ3 TRP 19 3HZ TRP 19 2.494 5.392 -2.962
173 HH2 TRP 19 2HH TRP 19 1.007 7.121 -2.092
174 H LEU 20 H LEU 20 1.909 0.075 -2.076
175 HA LEU 20 HA LEU 20 -0.146 1.556 -3.322
176 HB2 LEU 20 1HB LEU 20 2.260 0.203 -4.091
177 HB3 LEU 20 2HB LEU 20 0.968 -0.199 -5.221
178 HG LEU 20 HG LEU 20 0.984 2.628 -4.761
179 HD11 LEU 20 1HD1 LEU 20 3.141 3.248 -5.523
180 HD12 LEU 20 2HD1 LEU 20 3.595 1.570 -5.817
181 HD13 LEU 20 3HD1 LEU 20 3.377 2.148 -4.164
182 HD21 LEU 20 3HD2 LEU 20 0.016 1.592 -6.706
183 HD22 LEU 20 1HD2 LEU 20 1.573 0.897 -7.158
184 HD23 LEU 20 2HD2 LEU 20 1.338 2.644 -7.214
185 H TRP 21 H TRP 21 0.169 -1.794 -2.471
186 HA TRP 21 HA TRP 21 -1.993 -2.670 -4.170
187 HB2 TRP 21 2HB TRP 21 0.103 -3.922 -2.743
188 HB3 TRP 21 3HB TRP 21 -1.404 -4.541 -2.073
189 HD1 TRP 21 1HD TRP 21 0.724 -4.608 -5.225
190 HE1 TRP 21 1HE TRP 21 -0.215 -6.387 -6.830
191 HE3 TRP 21 3HE TRP 21 -3.617 -5.714 -2.762
192 HZ2 TRP 21 2HZ TRP 21 -2.494 -8.040 -7.028
193 HZ3 TRP 21 3HZ TRP 21 -5.122 -7.405 -3.727
194 HH2 TRP 21 2HH TRP 21 -4.571 -8.542 -5.815
195 H TYR 22 H TYR 22 -1.574 -1.585 -0.891
196 HA TYR 22 HA TYR 22 -4.107 -2.553 0.049
197 HB2 TYR 22 2HB TYR 22 -2.354 -2.252 1.663
198 HB3 TYR 22 3HB TYR 22 -2.133 -0.572 1.192
199 HD1 TYR 22 2HD TYR 22 -4.340 -2.926 2.965
200 HD2 TYR 22 1HD TYR 22 -3.561 1.155 2.043
201 HE1 TYR 22 2HE TYR 22 -5.939 -2.235 4.701
202 HE2 TYR 22 1HE TYR 22 -5.157 1.857 3.778
203 HH TYR 22 HH TYR 22 -6.821 -0.526 5.816
204 H ILE 23 H ILE 23 -2.846 0.528 -1.129
205 HA ILE 23 HA ILE 23 -5.088 2.117 -0.570
206 HB ILE 23 HB ILE 23 -4.249 3.642 -2.310
207 HG12 ILE 23 1HG1 ILE 23 -2.122 1.560 -2.833
208 HG13 ILE 23 2HG1 ILE 23 -3.526 1.797 -3.868
209 HG21 ILE 23 1HG2 ILE 23 -2.731 4.390 -0.863
210 HG22 ILE 23 2HG2 ILE 23 -3.008 2.910 0.054
211 HG23 ILE 23 3HG2 ILE 23 -1.692 2.988 -1.118
212 HD11 ILE 23 3HD1 ILE 23 -2.810 4.065 -4.347
213 HD12 ILE 23 1HD1 ILE 23 -1.426 3.866 -3.273
214 HD13 ILE 23 2HD1 ILE 23 -1.544 2.906 -4.748
215 H LYS 24 H LYS 24 -4.506 -0.233 -3.043
216 HA LYS 24 HA LYS 24 -6.571 0.671 -4.819
217 HB2 LYS 24 1HB LYS 24 -4.963 -1.874 -4.643
218 HB3 LYS 24 2HB LYS 24 -6.222 -1.636 -5.848
219 HG2 LYS 24 1HG LYS 24 -5.026 0.290 -6.737
220 HG3 LYS 24 2HG LYS 24 -3.770 0.082 -5.513
221 HD2 LYS 24 1HD LYS 24 -3.331 -2.186 -6.432
222 HD3 LYS 24 2HD LYS 24 -4.492 -1.848 -7.717
223 HE2 LYS 24 1HE LYS 24 -3.003 0.281 -8.074
224 HE3 LYS 24 2HE LYS 24 -1.785 -0.684 -7.241
225 HZ1 LYS 24 3HZ LYS 24 -2.110 -2.428 -8.903
226 HZ2 LYS 24 1HZ LYS 24 -1.615 -0.975 -9.617
227 HZ3 LYS 24 2HZ LYS 24 -3.232 -1.458 -9.716
228 H LEU 25 H LEU 25 -6.258 -2.239 -2.774
229 HA LEU 25 HA LEU 25 -8.929 -3.062 -3.060
230 HB2 LEU 25 1HB LEU 25 -8.480 -4.408 -1.001
231 HB3 LEU 25 2HB LEU 25 -7.330 -4.641 -2.317
232 HG LEU 25 HG LEU 25 -6.032 -2.761 -0.890
233 HD11 LEU 25 1HD1 LEU 25 -6.646 -2.592 1.237
234 HD12 LEU 25 2HD1 LEU 25 -6.729 -4.343 1.422
235 HD13 LEU 25 3HD1 LEU 25 -8.122 -3.455 0.804
236 HD21 LEU 25 3HD2 LEU 25 -5.259 -5.010 -1.695
237 HD22 LEU 25 1HD2 LEU 25 -5.917 -5.691 -0.207
238 HD23 LEU 25 2HD2 LEU 25 -4.610 -4.509 -0.132
239 H PHE 26 H PHE 26 -7.354 -0.954 -0.718
240 HA PHE 26 HA PHE 26 -9.329 -0.723 1.195
241 HB2 PHE 26 2HB PHE 26 -7.194 0.323 1.538
242 HB3 PHE 26 3HB PHE 26 -7.417 1.361 0.134
243 HD1 PHE 26 1HD PHE 26 -8.918 3.274 0.226
244 HD2 PHE 26 2HD PHE 26 -8.252 0.817 3.636
245 HE1 PHE 26 1HE PHE 26 -9.901 5.011 1.664
246 HE2 PHE 26 2HE PHE 26 -9.233 2.549 5.080
247 HZ PHE 26 HZ PHE 26 -10.060 4.649 4.095
248 H ILE 27 H ILE 27 -8.864 1.551 -1.516
249 HA ILE 27 HA ILE 27 -11.230 2.963 -1.203
250 HB ILE 27 HB ILE 27 -9.794 2.368 -3.794
251 HG12 ILE 27 1HG1 ILE 27 -8.360 3.406 -2.068
252 HG13 ILE 27 2HG1 ILE 27 -8.647 4.488 -3.425
253 HG21 ILE 27 1HG2 ILE 27 -12.160 3.951 -3.149
254 HG22 ILE 27 2HG2 ILE 27 -10.923 4.853 -4.024
255 HG23 ILE 27 3HG2 ILE 27 -11.578 3.363 -4.707
256 HD11 ILE 27 3HD1 ILE 27 -10.631 4.870 -1.379
257 HD12 ILE 27 1HD1 ILE 27 -9.002 5.034 -0.723
258 HD13 ILE 27 2HD1 ILE 27 -9.507 6.027 -2.091
259 H MET 28 H MET 28 -10.638 -0.102 -2.802
260 HA MET 28 HA MET 28 -13.097 -0.292 -4.177
261 HB2 MET 28 1HB MET 28 -11.123 -1.697 -4.678
262 HB3 MET 28 2HB MET 28 -11.340 -2.525 -3.141
263 HG2 MET 28 1HG MET 28 -13.805 -2.780 -4.305
264 HG3 MET 28 2HG MET 28 -12.710 -2.896 -5.682
265 HE1 MET 28 3HE MET 28 -14.122 -5.931 -3.028
266 HE2 MET 28 1HE MET 28 -13.101 -5.023 -1.911
267 HE3 MET 28 2HE MET 28 -14.336 -4.188 -2.854
268 H ILE 29 H ILE 29 -12.089 -1.226 -0.931
269 HA ILE 29 HA ILE 29 -14.561 -2.539 -0.303
270 HB ILE 29 HB ILE 29 -12.367 -1.575 1.536
271 HG12 ILE 29 1HG1 ILE 29 -12.887 -4.416 0.693
272 HG13 ILE 29 2HG1 ILE 29 -11.863 -3.355 -0.269
273 HG21 ILE 29 1HG2 ILE 29 -13.652 -3.690 2.747
274 HG22 ILE 29 2HG2 ILE 29 -13.850 -1.986 3.150
275 HG23 ILE 29 3HG2 ILE 29 -14.972 -2.763 2.035
276 HD11 ILE 29 3HD1 ILE 29 -11.111 -3.280 2.509
277 HD12 ILE 29 1HD1 ILE 29 -11.100 -4.928 1.884
278 HD13 ILE 29 2HD1 ILE 29 -10.145 -3.677 1.087
279 H VAL 30 H VAL 30 -13.157 0.644 0.292
280 HA VAL 30 HA VAL 30 -14.987 1.659 2.109
281 HB VAL 30 HB VAL 30 -13.644 3.168 -0.138
282 HG11 VAL 30 1HG1 VAL 30 -15.109 4.039 2.326
283 HG12 VAL 30 2HG1 VAL 30 -13.854 5.052 1.611
284 HG13 VAL 30 3HG1 VAL 30 -15.279 4.613 0.668
285 HG21 VAL 30 3HG2 VAL 30 -12.618 1.951 2.277
286 HG22 VAL 30 1HG2 VAL 30 -11.750 2.691 0.931
287 HG23 VAL 30 2HG2 VAL 30 -12.338 3.692 2.260
288 H GLY 31 H GLY 31 -15.163 1.590 -1.435
289 HA2 GLY 31 1HA GLY 31 -17.497 3.082 -1.767
290 HA3 GLY 31 2HA GLY 31 -16.941 1.829 -2.866
291 H LYS 32 H LYS 32 -17.154 -0.440 -1.393
292 HA LYS 32 HA LYS 32 -19.830 -1.131 -1.624
293 HB2 LYS 32 1HB LYS 32 -17.634 -2.378 0.030
294 HB3 LYS 32 2HB LYS 32 -19.216 -3.112 -0.187
295 HG2 LYS 32 1HG LYS 32 -18.660 -2.813 -2.731
296 HG3 LYS 32 2HG LYS 32 -16.998 -2.773 -2.139
297 HD2 LYS 32 1HD LYS 32 -17.027 -4.958 -1.503
298 HD3 LYS 32 2HD LYS 32 -18.747 -4.930 -1.103
299 HE2 LYS 32 1HE LYS 32 -18.574 -6.310 -2.998
300 HE3 LYS 32 2HE LYS 32 -19.168 -4.765 -3.603
301 HZ1 LYS 32 3HZ LYS 32 -17.156 -6.040 -4.719
302 HZ2 LYS 32 1HZ LYS 32 -16.278 -5.155 -3.574
303 HZ3 LYS 32 2HZ LYS 32 -17.250 -4.351 -4.701
304 H LYS 33 H LYS 33 -18.010 -0.383 1.345
305 HA LYS 33 HA LYS 33 -20.131 -0.652 3.141
306 HB2 LYS 33 1HB LYS 33 -17.650 1.065 3.250
307 HB3 LYS 33 2HB LYS 33 -18.767 0.902 4.599
308 HG2 LYS 33 1HG LYS 33 -17.296 -1.384 3.303
309 HG3 LYS 33 2HG LYS 33 -16.790 -0.561 4.781
310 HD2 LYS 33 1HD LYS 33 -19.120 -1.150 5.676
311 HD3 LYS 33 2HD LYS 33 -19.212 -2.277 4.319
312 HE2 LYS 33 1HE LYS 33 -17.257 -3.445 5.096
313 HE3 LYS 33 2HE LYS 33 -16.996 -2.250 6.365
314 HZ1 LYS 33 3HZ LYS 33 -18.022 -4.171 7.310
315 HZ2 LYS 33 1HZ LYS 33 -19.262 -4.157 6.158
316 HZ3 LYS 33 2HZ LYS 33 -19.163 -2.922 7.310
317 H LYS 34 H LYS 34 -19.113 2.076 1.165
318 HA LYS 34 HA LYS 34 -20.818 4.003 2.352
319 HB2 LYS 34 1HB LYS 34 -18.861 4.590 0.968
320 HB3 LYS 34 2HB LYS 34 -19.674 3.935 -0.446
321 HG2 LYS 34 1HG LYS 34 -21.506 5.730 0.542
322 HG3 LYS 34 2HG LYS 34 -19.959 6.525 0.840
323 HD2 LYS 34 1HD LYS 34 -19.441 6.650 -1.401
324 HD3 LYS 34 2HD LYS 34 -20.459 5.271 -1.822
325 HE2 LYS 34 1HE LYS 34 -21.870 7.607 -0.714
326 HE3 LYS 34 2HE LYS 34 -21.118 7.853 -2.290
327 HZ1 LYS 34 3HZ LYS 34 -22.917 6.889 -3.132
328 HZ2 LYS 34 1HZ LYS 34 -23.461 6.372 -1.616
329 HZ3 LYS 34 2HZ LYS 34 -22.363 5.426 -2.488
330 H LYS 35 H LYS 35 -21.274 1.581 -0.112
331 HA LYS 35 HA LYS 35 -23.757 2.650 -1.081
332 HB2 LYS 35 1HB LYS 35 -22.011 0.390 -1.692
333 HB3 LYS 35 2HB LYS 35 -23.718 -0.021 -1.797
334 HG2 LYS 35 1HG LYS 35 -23.949 2.070 -3.245
335 HG3 LYS 35 2HG LYS 35 -22.187 2.033 -3.353
336 HD2 LYS 35 1HD LYS 35 -22.239 -0.155 -4.344
337 HD3 LYS 35 2HD LYS 35 -23.979 -0.282 -4.079
338 HE2 LYS 35 1HE LYS 35 -23.118 2.074 -5.611
339 HE3 LYS 35 2HE LYS 35 -22.823 0.526 -6.400
340 HZ1 LYS 35 3HZ LYS 35 -25.453 0.930 -5.202
341 HZ2 LYS 35 1HZ LYS 35 -25.023 0.112 -6.620
342 HZ3 LYS 35 2HZ LYS 35 -25.112 1.801 -6.611
343 H LYS 36 H LYS 36 -25.791 1.372 -0.988
344 HA LYS 36 HA LYS 36 -26.151 0.243 1.708
345 HB2 LYS 36 1HB LYS 36 -27.862 1.959 -0.027
346 HB3 LYS 36 2HB LYS 36 -28.663 0.805 1.030
347 HG2 LYS 36 1HG LYS 36 -26.968 1.916 2.785
348 HG3 LYS 36 2HG LYS 36 -27.194 3.275 1.682
349 HD2 LYS 36 1HD LYS 36 -29.750 2.443 1.976
350 HD3 LYS 36 2HD LYS 36 -29.087 2.014 3.555
351 HE2 LYS 36 1HE LYS 36 -29.156 4.139 4.197
352 HE3 LYS 36 2HE LYS 36 -28.165 4.618 2.820
353 HZ1 LYS 36 3HZ LYS 36 -30.218 5.801 2.733
354 HZ2 LYS 36 1HZ LYS 36 -31.122 4.379 2.890
355 HZ3 LYS 36 2HZ LYS 36 -30.230 4.663 1.482
Start of MODEL 18
1 H1 LYS 1 H LYS 1 35.463 1.701 12.571
2 HA LYS 1 HA LYS 1 34.580 2.726 10.587
3 HB2 LYS 1 1HB LYS 1 36.581 0.668 10.435
4 HB3 LYS 1 2HB LYS 1 35.639 0.681 8.949
5 HG2 LYS 1 1HG LYS 1 37.241 2.191 8.394
6 HG3 LYS 1 2HG LYS 1 36.059 3.282 9.122
7 HD2 LYS 1 1HD LYS 1 37.824 3.981 10.337
8 HD3 LYS 1 2HD LYS 1 37.476 2.547 11.308
9 HE2 LYS 1 1HE LYS 1 39.049 1.313 9.716
10 HE3 LYS 1 2HE LYS 1 39.561 2.909 9.174
11 HZ1 LYS 1 3HZ LYS 1 40.712 1.618 11.181
12 HZ2 LYS 1 1HZ LYS 1 39.539 2.475 12.048
13 HZ3 LYS 1 2HZ LYS 1 40.654 3.306 11.088
14 H LYS 2 H LYS 2 32.649 2.832 9.672
15 HA LYS 2 HA LYS 2 31.480 0.419 8.504
16 HB2 LYS 2 1HB LYS 2 30.411 0.493 10.649
17 HB3 LYS 2 2HB LYS 2 30.101 2.217 10.499
18 HG2 LYS 2 1HG LYS 2 28.076 0.923 10.147
19 HG3 LYS 2 2HG LYS 2 28.537 1.790 8.680
20 HD2 LYS 2 1HD LYS 2 28.890 -0.107 7.527
21 HD3 LYS 2 2HD LYS 2 29.661 -0.911 8.896
22 HE2 LYS 2 1HE LYS 2 26.847 -0.505 9.384
23 HE3 LYS 2 2HE LYS 2 27.102 -1.377 7.874
24 HZ1 LYS 2 3HZ LYS 2 27.829 -2.163 10.613
25 HZ2 LYS 2 1HZ LYS 2 28.721 -2.771 9.310
26 HZ3 LYS 2 2HZ LYS 2 27.059 -3.066 9.407
27 H LYS 3 H LYS 3 31.221 0.913 6.434
28 HA LYS 3 HA LYS 3 30.747 3.661 5.615
29 HB2 LYS 3 1HB LYS 3 32.366 2.043 4.469
30 HB3 LYS 3 2HB LYS 3 30.939 1.258 3.807
31 HG2 LYS 3 1HG LYS 3 30.360 3.131 2.530
32 HG3 LYS 3 2HG LYS 3 31.427 4.195 3.449
33 HD2 LYS 3 1HD LYS 3 32.679 1.897 2.057
34 HD3 LYS 3 2HD LYS 3 32.076 3.216 1.050
35 HE2 LYS 3 1HE LYS 3 33.454 4.388 3.217
36 HE3 LYS 3 2HE LYS 3 34.470 3.083 2.609
37 HZ1 LYS 3 3HZ LYS 3 33.570 5.524 1.247
38 HZ2 LYS 3 1HZ LYS 3 33.877 4.140 0.323
39 HZ3 LYS 3 2HZ LYS 3 35.105 4.809 1.274
40 H LYS 4 H LYS 4 28.725 4.384 5.658
41 HA LYS 4 HA LYS 4 26.413 2.832 5.755
42 HB2 LYS 4 1HB LYS 4 27.034 5.687 5.270
43 HB3 LYS 4 2HB LYS 4 25.458 5.137 4.718
44 HG2 LYS 4 1HG LYS 4 25.224 4.146 7.088
45 HG3 LYS 4 2HG LYS 4 26.552 5.233 7.499
46 HD2 LYS 4 1HD LYS 4 24.694 6.739 6.001
47 HD3 LYS 4 2HD LYS 4 23.768 5.820 7.190
48 HE2 LYS 4 1HE LYS 4 26.180 7.510 7.836
49 HE3 LYS 4 2HE LYS 4 24.512 8.055 7.993
50 HZ1 LYS 4 3HZ LYS 4 24.106 6.534 9.702
51 HZ2 LYS 4 1HZ LYS 4 25.633 7.165 10.063
52 HZ3 LYS 4 2HZ LYS 4 25.496 5.630 9.369
53 H ASP 5 H ASP 5 24.635 2.821 4.131
54 HA ASP 5 HA ASP 5 25.531 2.892 1.352
55 HB2 ASP 5 1HB ASP 5 25.003 0.460 2.878
56 HB3 ASP 5 2HB ASP 5 24.018 0.572 1.422
57 H LYS 6 H LYS 6 23.905 3.265 -0.133
58 HA LYS 6 HA LYS 6 21.588 4.582 0.829
59 HB2 LYS 6 1HB LYS 6 22.726 3.901 -1.823
60 HB3 LYS 6 2HB LYS 6 20.994 4.205 -1.771
61 HG2 LYS 6 1HG LYS 6 23.005 6.116 -0.620
62 HG3 LYS 6 2HG LYS 6 22.478 6.180 -2.303
63 HD2 LYS 6 1HD LYS 6 20.288 6.020 -0.363
64 HD3 LYS 6 2HD LYS 6 21.271 7.480 -0.227
65 HE2 LYS 6 1HE LYS 6 20.475 8.324 -2.141
66 HE3 LYS 6 2HE LYS 6 20.611 6.781 -2.982
67 HZ1 LYS 6 3HZ LYS 6 18.551 6.126 -1.684
68 HZ2 LYS 6 1HZ LYS 6 18.340 7.250 -2.930
69 HZ3 LYS 6 2HZ LYS 6 18.374 7.769 -1.321
70 H TRP 7 H TRP 7 22.253 1.316 -0.130
71 HA TRP 7 HA TRP 7 19.749 0.364 -0.805
72 HB2 TRP 7 2HB TRP 7 22.266 -0.758 -0.016
73 HB3 TRP 7 3HB TRP 7 20.971 -1.620 0.812
74 HD1 TRP 7 1HD TRP 7 22.523 -1.129 -2.608
75 HE1 TRP 7 1HE TRP 7 21.431 -2.758 -4.274
76 HE3 TRP 7 3HE TRP 7 18.693 -2.835 0.317
77 HZ2 TRP 7 2HZ TRP 7 19.236 -4.531 -4.340
78 HZ3 TRP 7 3HZ TRP 7 17.142 -4.497 -0.623
79 HH2 TRP 7 2HH TRP 7 17.409 -5.326 -2.903
80 H ALA 8 H ALA 8 21.021 1.203 2.336
81 HA ALA 8 HA ALA 8 19.291 -0.108 4.039
82 HB1 ALA 8 3HB ALA 8 20.274 1.129 5.613
83 HB2 ALA 8 1HB ALA 8 21.222 1.839 4.307
84 HB3 ALA 8 2HB ALA 8 19.754 2.640 4.869
85 H SER 9 H SER 9 18.784 2.950 2.319
86 HA SER 9 HA SER 9 16.210 3.432 3.448
87 HB2 SER 9 1HB SER 9 16.113 5.322 2.062
88 HB3 SER 9 2HB SER 9 17.841 5.119 2.347
89 HG SER 9 HG SER 9 17.666 5.364 0.186
90 H LEU 10 H LEU 10 17.390 1.610 0.745
91 HA LEU 10 HA LEU 10 14.977 1.466 -0.733
92 HB2 LEU 10 1HB LEU 10 17.477 0.809 -1.304
93 HB3 LEU 10 2HB LEU 10 16.923 -0.780 -0.781
94 HG LEU 10 HG LEU 10 15.318 0.673 -2.825
95 HD11 LEU 10 1HD1 LEU 10 18.096 -0.263 -3.178
96 HD12 LEU 10 2HD1 LEU 10 17.190 0.971 -4.054
97 HD13 LEU 10 3HD1 LEU 10 16.941 -0.735 -4.425
98 HD21 LEU 10 3HD2 LEU 10 15.973 -2.157 -3.150
99 HD22 LEU 10 1HD2 LEU 10 14.409 -1.342 -3.167
100 HD23 LEU 10 2HD2 LEU 10 15.155 -1.784 -1.631
101 H TRP 11 H TRP 11 16.395 -0.554 1.795
102 HA TRP 11 HA TRP 11 14.648 -2.706 1.715
103 HB2 TRP 11 2HB TRP 11 16.234 -1.427 3.917
104 HB3 TRP 11 3HB TRP 11 15.126 -2.747 4.287
105 HD1 TRP 11 1HD TRP 11 18.568 -2.069 3.011
106 HE1 TRP 11 1HE TRP 11 19.706 -4.276 2.332
107 HE3 TRP 11 3HE TRP 11 14.498 -5.159 3.158
108 HZ2 TRP 11 2HZ TRP 11 18.974 -6.970 1.913
109 HZ3 TRP 11 3HZ TRP 11 14.801 -7.536 2.604
110 HH2 TRP 11 2HH TRP 11 16.993 -8.422 1.994
111 H ASN 12 H ASN 12 14.164 0.518 2.939
112 HA ASN 12 HA ASN 12 11.883 -0.008 4.533
113 HB2 ASN 12 1HB ASN 12 12.815 2.527 3.171
114 HB3 ASN 12 2HB ASN 12 11.475 2.455 4.312
115 HD21 ASN 12 2HD2 ASN 12 11.881 2.252 6.472
116 HD22 ASN 12 1HD2 ASN 12 13.465 2.362 7.154
117 H TRP 13 H TRP 13 12.362 0.479 1.124
118 HA TRP 13 HA TRP 13 9.781 1.206 0.346
119 HB2 TRP 13 2HB TRP 13 11.853 1.162 -1.100
120 HB3 TRP 13 3HB TRP 13 11.635 -0.580 -1.234
121 HD1 TRP 13 1HD TRP 13 9.959 2.722 -2.276
122 HE1 TRP 13 1HE TRP 13 8.404 2.245 -4.271
123 HE3 TRP 13 3HE TRP 13 10.329 -2.376 -2.396
124 HZ2 TRP 13 2HZ TRP 13 7.459 0.005 -5.706
125 HZ3 TRP 13 3HZ TRP 13 9.069 -3.610 -4.111
126 HH2 TRP 13 2HH TRP 13 7.663 -2.442 -5.731
127 H PHE 14 H PHE 14 11.001 -1.787 1.516
128 HA PHE 14 HA PHE 14 9.344 -3.667 0.367
129 HB2 PHE 14 2HB PHE 14 11.151 -4.268 1.894
130 HB3 PHE 14 3HB PHE 14 10.288 -3.530 3.239
131 HD1 PHE 14 2HD PHE 14 9.575 -6.031 0.557
132 HD2 PHE 14 1HD PHE 14 9.267 -4.987 4.672
133 HE1 PHE 14 2HE PHE 14 8.463 -8.177 1.015
134 HE2 PHE 14 1HE PHE 14 8.155 -7.132 5.137
135 HZ PHE 14 HZ PHE 14 7.750 -8.729 3.306
136 H ASP 15 H ASP 15 8.717 -1.937 3.425
137 HA ASP 15 HA ASP 15 6.126 -2.875 3.829
138 HB2 ASP 15 1HB ASP 15 7.552 -1.599 5.474
139 HB3 ASP 15 2HB ASP 15 7.117 -0.129 4.607
140 H ILE 16 H ILE 16 7.289 -0.139 1.938
141 HA ILE 16 HA ILE 16 4.740 0.970 1.380
142 HB ILE 16 HB ILE 16 7.397 1.238 -0.016
143 HG12 ILE 16 1HG1 ILE 16 7.019 3.641 0.895
144 HG13 ILE 16 2HG1 ILE 16 5.813 2.890 1.933
145 HG21 ILE 16 1HG2 ILE 16 6.027 3.335 -0.960
146 HG22 ILE 16 2HG2 ILE 16 6.133 1.794 -1.809
147 HG23 ILE 16 3HG2 ILE 16 4.713 2.166 -0.831
148 HD11 ILE 16 3HD1 ILE 16 7.436 1.566 3.016
149 HD12 ILE 16 1HD1 ILE 16 8.662 1.955 1.809
150 HD13 ILE 16 2HD1 ILE 16 8.099 3.198 2.928
151 H THR 17 H THR 17 6.605 -1.604 -0.036
152 HA THR 17 HA THR 17 5.503 -1.790 -2.569
153 HB THR 17 HB THR 17 5.983 -4.304 -1.021
154 HG1 THR 17 1HG THR 17 8.283 -3.900 -1.440
155 HG21 THR 17 3HG2 THR 17 6.400 -3.322 -3.819
156 HG22 THR 17 1HG2 THR 17 5.546 -4.758 -3.258
157 HG23 THR 17 2HG2 THR 17 7.308 -4.708 -3.219
158 H ASN 18 H ASN 18 4.252 -3.009 0.506
159 HA ASN 18 HA ASN 18 1.931 -4.183 -0.765
160 HB2 ASN 18 1HB ASN 18 3.252 -4.412 1.780
161 HB3 ASN 18 2HB ASN 18 1.544 -4.060 2.031
162 HD21 ASN 18 2HD2 ASN 18 3.854 -6.321 0.775
163 HD22 ASN 18 1HD2 ASN 18 2.759 -7.644 0.581
164 H TRP 19 H TRP 19 2.805 -1.223 0.811
165 HA TRP 19 HA TRP 19 0.363 -0.264 1.686
166 HB2 TRP 19 2HB TRP 19 2.462 0.907 2.111
167 HB3 TRP 19 3HB TRP 19 2.626 1.278 0.396
168 HD1 TRP 19 1HD TRP 19 0.713 3.006 -0.625
169 HE1 TRP 19 1HE TRP 19 -0.449 4.998 0.519
170 HE3 TRP 19 3HE TRP 19 1.633 1.790 4.254
171 HZ2 TRP 19 2HZ TRP 19 -0.914 5.930 3.142
172 HZ3 TRP 19 3HZ TRP 19 0.796 3.284 6.020
173 HH2 TRP 19 2HH TRP 19 -0.451 5.312 5.473
174 H LEU 20 H LEU 20 1.849 0.420 -1.490
175 HA LEU 20 HA LEU 20 -0.330 1.710 -2.627
176 HB2 LEU 20 1HB LEU 20 2.187 0.711 -3.483
177 HB3 LEU 20 2HB LEU 20 0.970 0.191 -4.646
178 HG LEU 20 HG LEU 20 0.588 2.966 -4.056
179 HD11 LEU 20 1HD1 LEU 20 3.021 2.792 -3.440
180 HD12 LEU 20 2HD1 LEU 20 2.645 3.922 -4.740
181 HD13 LEU 20 3HD1 LEU 20 3.333 2.343 -5.117
182 HD21 LEU 20 3HD2 LEU 20 0.708 3.185 -6.424
183 HD22 LEU 20 1HD2 LEU 20 -0.094 1.653 -6.080
184 HD23 LEU 20 2HD2 LEU 20 1.598 1.669 -6.580
185 H TRP 21 H TRP 21 0.219 -1.663 -2.070
186 HA TRP 21 HA TRP 21 -1.825 -2.555 -3.900
187 HB2 TRP 21 2HB TRP 21 0.318 -3.760 -2.524
188 HB3 TRP 21 3HB TRP 21 -1.146 -4.518 -1.901
189 HD1 TRP 21 1HD TRP 21 1.049 -4.348 -4.978
190 HE1 TRP 21 1HE TRP 21 0.210 -6.055 -6.712
191 HE3 TRP 21 3HE TRP 21 -3.358 -5.670 -2.750
192 HZ2 TRP 21 2HZ TRP 21 -2.024 -7.738 -7.087
193 HZ3 TRP 21 3HZ TRP 21 -4.789 -7.335 -3.863
194 HH2 TRP 21 2HH TRP 21 -4.134 -8.346 -5.985
195 H TYR 22 H TYR 22 -1.614 -1.623 -0.568
196 HA TYR 22 HA TYR 22 -4.127 -2.835 0.177
197 HB2 TYR 22 2HB TYR 22 -2.472 -2.674 1.900
198 HB3 TYR 22 3HB TYR 22 -2.253 -0.951 1.612
199 HD1 TYR 22 1HD TYR 22 -4.739 -3.452 2.790
200 HD2 TYR 22 2HD TYR 22 -3.510 0.621 2.808
201 HE1 TYR 22 1HE TYR 22 -6.425 -2.957 4.511
202 HE2 TYR 22 2HE TYR 22 -5.192 1.127 4.530
203 HH TYR 22 HH TYR 22 -7.723 -0.842 5.262
204 H ILE 23 H ILE 23 -2.922 0.405 -0.562
205 HA ILE 23 HA ILE 23 -5.269 1.826 0.044
206 HB ILE 23 HB ILE 23 -4.377 3.625 -1.327
207 HG12 ILE 23 1HG1 ILE 23 -2.288 1.626 -2.221
208 HG13 ILE 23 2HG1 ILE 23 -3.608 2.225 -3.218
209 HG21 ILE 23 1HG2 ILE 23 -2.786 4.136 0.170
210 HG22 ILE 23 2HG2 ILE 23 -3.233 2.603 0.918
211 HG23 ILE 23 3HG2 ILE 23 -1.852 2.681 -0.177
212 HD11 ILE 23 3HD1 ILE 23 -1.385 3.295 -3.615
213 HD12 ILE 23 1HD1 ILE 23 -2.700 4.412 -3.250
214 HD13 ILE 23 2HD1 ILE 23 -1.516 4.006 -2.007
215 H LYS 24 H LYS 24 -4.370 -0.104 -2.697
216 HA LYS 24 HA LYS 24 -6.283 0.943 -4.526
217 HB2 LYS 24 1HB LYS 24 -4.635 -1.566 -4.415
218 HB3 LYS 24 2HB LYS 24 -5.874 -1.365 -5.647
219 HG2 LYS 24 1HG LYS 24 -4.775 0.621 -6.480
220 HG3 LYS 24 2HG LYS 24 -3.570 0.520 -5.194
221 HD2 LYS 24 1HD LYS 24 -3.166 -1.876 -6.169
222 HD3 LYS 24 2HD LYS 24 -3.916 -1.195 -7.615
223 HE2 LYS 24 1HE LYS 24 -1.570 0.043 -6.184
224 HE3 LYS 24 2HE LYS 24 -1.421 -1.044 -7.564
225 HZ1 LYS 24 3HZ LYS 24 -1.532 1.575 -7.824
226 HZ2 LYS 24 1HZ LYS 24 -3.190 1.249 -7.880
227 HZ3 LYS 24 2HZ LYS 24 -2.149 0.525 -8.997
228 H LEU 25 H LEU 25 -6.213 -2.137 -2.723
229 HA LEU 25 HA LEU 25 -8.874 -2.841 -3.342
230 HB2 LEU 25 1HB LEU 25 -8.626 -4.443 -1.440
231 HB3 LEU 25 2HB LEU 25 -7.382 -4.556 -2.683
232 HG LEU 25 HG LEU 25 -6.159 -2.908 -0.931
233 HD11 LEU 25 1HD1 LEU 25 -7.222 -4.815 1.025
234 HD12 LEU 25 2HD1 LEU 25 -8.362 -3.574 0.507
235 HD13 LEU 25 3HD1 LEU 25 -6.811 -3.109 1.204
236 HD21 LEU 25 3HD2 LEU 25 -5.569 -5.231 -1.978
237 HD22 LEU 25 1HD2 LEU 25 -6.054 -5.840 -0.395
238 HD23 LEU 25 2HD2 LEU 25 -4.741 -4.670 -0.524
239 H PHE 26 H PHE 26 -7.429 -1.087 -0.652
240 HA PHE 26 HA PHE 26 -9.536 -1.018 1.128
241 HB2 PHE 26 2HB PHE 26 -7.394 -0.092 1.730
242 HB3 PHE 26 3HB PHE 26 -7.514 1.130 0.468
243 HD1 PHE 26 1HD PHE 26 -9.573 -0.058 3.350
244 HD2 PHE 26 2HD PHE 26 -7.987 3.247 1.187
245 HE1 PHE 26 1HE PHE 26 -10.616 1.488 4.954
246 HE2 PHE 26 2HE PHE 26 -9.028 4.798 2.788
247 HZ PHE 26 HZ PHE 26 -10.344 3.920 4.676
248 H ILE 27 H ILE 27 -8.821 1.502 -1.297
249 HA ILE 27 HA ILE 27 -11.196 2.933 -0.968
250 HB ILE 27 HB ILE 27 -9.516 2.692 -3.467
251 HG12 ILE 27 1HG1 ILE 27 -8.258 3.449 -1.475
252 HG13 ILE 27 2HG1 ILE 27 -8.404 4.715 -2.689
253 HG21 ILE 27 1HG2 ILE 27 -11.673 3.603 -4.007
254 HG22 ILE 27 2HG2 ILE 27 -11.583 4.726 -2.651
255 HG23 ILE 27 3HG2 ILE 27 -10.487 4.908 -4.020
256 HD11 ILE 27 3HD1 ILE 27 -10.185 5.755 -1.409
257 HD12 ILE 27 1HD1 ILE 27 -10.083 4.472 -0.205
258 HD13 ILE 27 2HD1 ILE 27 -8.726 5.575 -0.435
259 H MET 28 H MET 28 -10.505 0.042 -2.782
260 HA MET 28 HA MET 28 -12.804 0.111 -4.453
261 HB2 MET 28 1HB MET 28 -10.801 -1.249 -4.954
262 HB3 MET 28 2HB MET 28 -11.161 -2.268 -3.566
263 HG2 MET 28 1HG MET 28 -13.503 -2.225 -5.085
264 HG3 MET 28 2HG MET 28 -12.186 -2.390 -6.245
265 HE1 MET 28 3HE MET 28 -13.362 -3.583 -2.773
266 HE2 MET 28 1HE MET 28 -14.514 -4.372 -3.851
267 HE3 MET 28 2HE MET 28 -13.358 -5.340 -2.936
268 H ILE 29 H ILE 29 -12.150 -1.114 -1.236
269 HA ILE 29 HA ILE 29 -14.675 -2.500 -1.039
270 HB ILE 29 HB ILE 29 -12.648 -1.851 1.104
271 HG12 ILE 29 1HG1 ILE 29 -13.132 -4.541 -0.156
272 HG13 ILE 29 2HG1 ILE 29 -12.008 -3.390 -0.872
273 HG21 ILE 29 1HG2 ILE 29 -13.811 -3.660 2.363
274 HG22 ILE 29 2HG2 ILE 29 -14.786 -2.213 2.116
275 HG23 ILE 29 3HG2 ILE 29 -15.068 -3.645 1.126
276 HD11 ILE 29 3HD1 ILE 29 -10.782 -4.918 0.484
277 HD12 ILE 29 1HD1 ILE 29 -10.782 -3.346 1.285
278 HD13 ILE 29 2HD1 ILE 29 -11.846 -4.630 1.861
279 H VAL 30 H VAL 30 -13.286 0.540 0.086
280 HA VAL 30 HA VAL 30 -15.264 1.356 1.856
281 HB VAL 30 HB VAL 30 -13.703 3.125 -0.032
282 HG11 VAL 30 1HG1 VAL 30 -15.159 3.710 2.541
283 HG12 VAL 30 2HG1 VAL 30 -14.039 4.827 1.757
284 HG13 VAL 30 3HG1 VAL 30 -15.524 4.344 0.937
285 HG21 VAL 30 3HG2 VAL 30 -12.613 3.215 2.547
286 HG22 VAL 30 1HG2 VAL 30 -12.867 1.506 2.191
287 HG23 VAL 30 2HG2 VAL 30 -11.896 2.499 1.104
288 H GLY 31 H GLY 31 -15.093 1.779 -1.666
289 HA2 GLY 31 1HA GLY 31 -17.310 3.387 -2.061
290 HA3 GLY 31 2HA GLY 31 -16.744 2.184 -3.210
291 H LYS 32 H LYS 32 -17.189 -0.031 -1.330
292 HA LYS 32 HA LYS 32 -19.882 -0.607 -2.043
293 HB2 LYS 32 1HB LYS 32 -18.075 -2.063 -0.103
294 HB3 LYS 32 2HB LYS 32 -19.550 -2.699 -0.819
295 HG2 LYS 32 1HG LYS 32 -17.219 -1.820 -2.491
296 HG3 LYS 32 2HG LYS 32 -17.346 -3.451 -1.828
297 HD2 LYS 32 1HD LYS 32 -18.446 -3.907 -3.733
298 HD3 LYS 32 2HD LYS 32 -19.812 -3.119 -2.939
299 HE2 LYS 32 1HE LYS 32 -18.429 -0.998 -3.987
300 HE3 LYS 32 2HE LYS 32 -18.191 -2.245 -5.211
301 HZ1 LYS 32 3HZ LYS 32 -20.226 -0.772 -5.434
302 HZ2 LYS 32 1HZ LYS 32 -20.870 -1.627 -4.124
303 HZ3 LYS 32 2HZ LYS 32 -20.478 -2.442 -5.553
304 H LYS 33 H LYS 33 -18.299 -0.081 1.106
305 HA LYS 33 HA LYS 33 -20.526 -0.281 2.735
306 HB2 LYS 33 1HB LYS 33 -18.196 1.611 3.093
307 HB3 LYS 33 2HB LYS 33 -19.291 1.068 4.357
308 HG2 LYS 33 1HG LYS 33 -17.512 -0.767 2.770
309 HG3 LYS 33 2HG LYS 33 -17.086 -0.078 4.339
310 HD2 LYS 33 1HD LYS 33 -19.712 -1.391 4.241
311 HD3 LYS 33 2HD LYS 33 -18.338 -2.468 3.981
312 HE2 LYS 33 1HE LYS 33 -18.500 -0.531 6.279
313 HE3 LYS 33 2HE LYS 33 -19.094 -2.187 6.376
314 HZ1 LYS 33 3HZ LYS 33 -16.770 -1.805 7.201
315 HZ2 LYS 33 1HZ LYS 33 -16.314 -1.527 5.596
316 HZ3 LYS 33 2HZ LYS 33 -16.935 -3.033 6.051
317 H LYS 34 H LYS 34 -19.303 2.538 0.979
318 HA LYS 34 HA LYS 34 -21.108 4.428 2.002
319 HB2 LYS 34 1HB LYS 34 -18.986 4.741 0.532
320 HB3 LYS 34 2HB LYS 34 -20.091 4.540 -0.822
321 HG2 LYS 34 1HG LYS 34 -20.734 6.529 1.303
322 HG3 LYS 34 2HG LYS 34 -19.518 6.917 0.083
323 HD2 LYS 34 1HD LYS 34 -21.363 6.085 -1.580
324 HD3 LYS 34 2HD LYS 34 -22.449 6.439 -0.234
325 HE2 LYS 34 1HE LYS 34 -22.359 8.388 -1.592
326 HE3 LYS 34 2HE LYS 34 -21.420 8.727 -0.139
327 HZ1 LYS 34 3HZ LYS 34 -19.577 7.715 -1.846
328 HZ2 LYS 34 1HZ LYS 34 -19.838 9.361 -1.553
329 HZ3 LYS 34 2HZ LYS 34 -20.572 8.611 -2.881
330 H LYS 35 H LYS 35 -21.394 2.086 -0.592
331 HA LYS 35 HA LYS 35 -23.905 3.147 -1.537
332 HB2 LYS 35 1HB LYS 35 -22.321 2.027 -3.065
333 HB3 LYS 35 2HB LYS 35 -22.538 0.526 -2.174
334 HG2 LYS 35 1HG LYS 35 -25.043 0.830 -2.742
335 HG3 LYS 35 2HG LYS 35 -24.452 1.945 -3.977
336 HD2 LYS 35 1HD LYS 35 -22.826 -0.088 -4.493
337 HD3 LYS 35 2HD LYS 35 -24.150 -1.004 -3.770
338 HE2 LYS 35 1HE LYS 35 -24.603 -0.961 -6.080
339 HE3 LYS 35 2HE LYS 35 -25.684 0.236 -5.368
340 HZ1 LYS 35 3HZ LYS 35 -23.122 0.795 -6.761
341 HZ2 LYS 35 1HZ LYS 35 -24.090 1.962 -6.011
342 HZ3 LYS 35 2HZ LYS 35 -24.676 1.113 -7.351
343 H LYS 36 H LYS 36 -25.325 3.075 0.191
344 HA LYS 36 HA LYS 36 -26.863 2.197 1.618
345 HB2 LYS 36 1HB LYS 36 -27.342 0.992 -0.644
346 HB3 LYS 36 2HB LYS 36 -26.670 -0.419 0.162
347 HG2 LYS 36 1HG LYS 36 -28.460 -0.671 1.517
348 HG3 LYS 36 2HG LYS 36 -28.751 1.067 1.638
349 HD2 LYS 36 1HD LYS 36 -29.181 -0.084 -1.034
350 HD3 LYS 36 2HD LYS 36 -30.290 -0.659 0.213
351 HE2 LYS 36 1HE LYS 36 -31.146 1.323 -0.973
352 HE3 LYS 36 2HE LYS 36 -30.920 1.613 0.750
353 HZ1 LYS 36 3HZ LYS 36 -30.119 3.425 -0.744
354 HZ2 LYS 36 1HZ LYS 36 -28.917 2.371 -1.300
355 HZ3 LYS 36 2HZ LYS 36 -28.951 2.832 0.327
Start of MODEL 19
1 H1 LYS 1 H LYS 1 12.716 14.612 3.999
2 HA LYS 1 HA LYS 1 11.385 12.746 4.902
3 HB2 LYS 1 1HB LYS 1 12.156 13.054 2.271
4 HB3 LYS 1 2HB LYS 1 12.543 11.370 2.594
5 HG2 LYS 1 1HG LYS 1 10.409 10.781 2.495
6 HG3 LYS 1 2HG LYS 1 9.938 12.051 3.627
7 HD2 LYS 1 1HD LYS 1 9.237 13.408 1.983
8 HD3 LYS 1 2HD LYS 1 10.630 13.041 0.963
9 HE2 LYS 1 1HE LYS 1 9.602 11.021 0.185
10 HE3 LYS 1 2HE LYS 1 8.282 11.189 1.341
11 HZ1 LYS 1 3HZ LYS 1 8.546 12.313 -1.254
12 HZ2 LYS 1 1HZ LYS 1 8.298 13.529 -0.104
13 HZ3 LYS 1 2HZ LYS 1 7.190 12.260 -0.245
14 H LYS 2 H LYS 2 13.952 12.671 6.260
15 HA LYS 2 HA LYS 2 15.269 11.225 7.423
16 HB2 LYS 2 1HB LYS 2 13.221 9.122 6.717
17 HB3 LYS 2 2HB LYS 2 14.301 9.142 8.106
18 HG2 LYS 2 1HG LYS 2 12.097 11.136 7.626
19 HG3 LYS 2 2HG LYS 2 11.966 9.714 8.663
20 HD2 LYS 2 1HD LYS 2 14.264 11.507 9.161
21 HD3 LYS 2 2HD LYS 2 12.668 12.140 9.570
22 HE2 LYS 2 1HE LYS 2 13.286 9.380 10.447
23 HE3 LYS 2 2HE LYS 2 14.142 10.686 11.265
24 HZ1 LYS 2 3HZ LYS 2 11.365 9.926 11.423
25 HZ2 LYS 2 1HZ LYS 2 11.610 11.590 11.243
26 HZ3 LYS 2 2HZ LYS 2 12.322 10.766 12.536
27 H LYS 3 H LYS 3 16.307 11.646 5.032
28 HA LYS 3 HA LYS 3 16.859 9.054 3.785
29 HB2 LYS 3 1HB LYS 3 16.291 11.330 2.562
30 HB3 LYS 3 2HB LYS 3 18.014 11.616 2.769
31 HG2 LYS 3 1HG LYS 3 18.456 10.358 1.007
32 HG3 LYS 3 2HG LYS 3 17.650 8.981 1.759
33 HD2 LYS 3 1HD LYS 3 15.490 10.313 0.958
34 HD3 LYS 3 2HD LYS 3 16.633 10.929 -0.238
35 HE2 LYS 3 1HE LYS 3 16.442 9.048 -1.401
36 HE3 LYS 3 2HE LYS 3 17.011 8.122 -0.013
37 HZ1 LYS 3 3HZ LYS 3 14.915 7.550 0.582
38 HZ2 LYS 3 1HZ LYS 3 14.643 7.738 -1.077
39 HZ3 LYS 3 2HZ LYS 3 14.218 8.974 -0.004
40 H LYS 4 H LYS 4 17.940 9.059 6.215
41 HA LYS 4 HA LYS 4 20.527 10.169 6.439
42 HB2 LYS 4 1HB LYS 4 19.196 7.843 7.825
43 HB3 LYS 4 2HB LYS 4 20.813 8.400 8.236
44 HG2 LYS 4 1HG LYS 4 20.051 10.176 9.367
45 HG3 LYS 4 2HG LYS 4 18.775 10.505 8.191
46 HD2 LYS 4 1HD LYS 4 17.822 8.235 9.255
47 HD3 LYS 4 2HD LYS 4 18.725 8.848 10.643
48 HE2 LYS 4 1HE LYS 4 17.030 10.802 9.220
49 HE3 LYS 4 2HE LYS 4 16.180 9.531 10.098
50 HZ1 LYS 4 3HZ LYS 4 18.349 10.922 11.479
51 HZ2 LYS 4 1HZ LYS 4 16.903 10.297 12.094
52 HZ3 LYS 4 2HZ LYS 4 16.900 11.765 11.254
53 H ASP 5 H ASP 5 19.352 7.056 5.262
54 HA ASP 5 HA ASP 5 21.991 6.597 4.061
55 HB2 ASP 5 1HB ASP 5 20.440 4.743 5.833
56 HB3 ASP 5 2HB ASP 5 21.455 4.076 4.557
57 H LYS 6 H LYS 6 21.929 5.968 1.987
58 HA LYS 6 HA LYS 6 19.464 5.993 0.577
59 HB2 LYS 6 1HB LYS 6 21.959 6.523 -0.174
60 HB3 LYS 6 2HB LYS 6 21.915 4.833 -0.663
61 HG2 LYS 6 1HG LYS 6 21.246 5.867 -2.590
62 HG3 LYS 6 2HG LYS 6 19.687 5.531 -1.833
63 HD2 LYS 6 1HD LYS 6 19.528 7.759 -2.540
64 HD3 LYS 6 2HD LYS 6 19.881 7.870 -0.815
65 HE2 LYS 6 1HE LYS 6 21.975 8.698 -1.158
66 HE3 LYS 6 2HE LYS 6 22.187 7.828 -2.678
67 HZ1 LYS 6 3HZ LYS 6 20.824 9.409 -3.799
68 HZ2 LYS 6 1HZ LYS 6 21.989 10.271 -2.925
69 HZ3 LYS 6 2HZ LYS 6 20.401 10.175 -2.351
70 H TRP 7 H TRP 7 21.742 3.413 1.439
71 HA TRP 7 HA TRP 7 20.349 1.326 0.149
72 HB2 TRP 7 2HB TRP 7 21.675 -0.163 1.681
73 HB3 TRP 7 3HB TRP 7 22.642 0.987 0.762
74 HD1 TRP 7 1HD TRP 7 21.396 0.320 4.334
75 HE1 TRP 7 1HE TRP 7 22.894 1.621 5.973
76 HE3 TRP 7 3HE TRP 7 24.182 2.966 0.962
77 HZ2 TRP 7 2HZ TRP 7 24.981 3.518 5.852
78 HZ3 TRP 7 3HZ TRP 7 25.908 4.503 1.805
79 HH2 TRP 7 2HH TRP 7 26.298 4.772 4.200
80 H ALA 8 H ALA 8 19.899 2.922 3.195
81 HA ALA 8 HA ALA 8 18.400 0.943 4.527
82 HB1 ALA 8 3HB ALA 8 17.704 2.690 6.022
83 HB2 ALA 8 1HB ALA 8 19.402 2.937 5.613
84 HB3 ALA 8 2HB ALA 8 18.157 3.930 4.853
85 H SER 9 H SER 9 17.397 3.688 2.505
86 HA SER 9 HA SER 9 14.643 3.388 2.741
87 HB2 SER 9 1HB SER 9 16.339 5.043 1.312
88 HB3 SER 9 2HB SER 9 15.478 4.163 0.049
89 HG SER 9 HG SER 9 14.525 5.981 1.925
90 H LEU 10 H LEU 10 16.951 1.647 0.772
91 HA LEU 10 HA LEU 10 15.259 0.440 -1.071
92 HB2 LEU 10 1HB LEU 10 17.869 0.352 -0.697
93 HB3 LEU 10 2HB LEU 10 17.468 -1.149 0.134
94 HG LEU 10 HG LEU 10 16.318 -0.850 -2.562
95 HD11 LEU 10 1HD1 LEU 10 18.343 0.067 -3.222
96 HD12 LEU 10 2HD1 LEU 10 18.583 -1.658 -3.489
97 HD13 LEU 10 3HD1 LEU 10 19.268 -0.884 -2.060
98 HD21 LEU 10 3HD2 LEU 10 16.991 -3.193 -2.705
99 HD22 LEU 10 1HD2 LEU 10 16.068 -2.882 -1.234
100 HD23 LEU 10 2HD2 LEU 10 17.821 -3.055 -1.155
101 H TRP 11 H TRP 11 16.348 -0.889 2.055
102 HA TRP 11 HA TRP 11 14.679 -3.156 1.981
103 HB2 TRP 11 2HB TRP 11 16.112 -1.711 4.197
104 HB3 TRP 11 3HB TRP 11 15.064 -3.085 4.540
105 HD1 TRP 11 1HD TRP 11 17.953 -2.436 2.009
106 HE1 TRP 11 1HE TRP 11 19.479 -4.510 2.017
107 HE3 TRP 11 3HE TRP 11 15.441 -5.279 5.435
108 HZ2 TRP 11 2HZ TRP 11 19.600 -7.019 3.306
109 HZ3 TRP 11 3HZ TRP 11 16.328 -7.504 6.000
110 HH2 TRP 11 2HH TRP 11 18.364 -8.354 4.955
111 H ASN 12 H ASN 12 14.099 0.140 2.894
112 HA ASN 12 HA ASN 12 11.744 -0.329 4.430
113 HB2 ASN 12 1HB ASN 12 13.335 1.924 3.660
114 HB3 ASN 12 2HB ASN 12 11.649 2.269 3.288
115 HD21 ASN 12 2HD2 ASN 12 10.159 1.385 5.158
116 HD22 ASN 12 1HD2 ASN 12 10.626 1.918 6.734
117 H TRP 13 H TRP 13 12.430 -0.012 1.044
118 HA TRP 13 HA TRP 13 9.919 0.723 0.070
119 HB2 TRP 13 2HB TRP 13 12.074 0.562 -1.240
120 HB3 TRP 13 3HB TRP 13 11.824 -1.181 -1.297
121 HD1 TRP 13 1HD TRP 13 10.290 2.093 -2.611
122 HE1 TRP 13 1HE TRP 13 8.850 1.542 -4.672
123 HE3 TRP 13 3HE TRP 13 10.551 -3.010 -2.443
124 HZ2 TRP 13 2HZ TRP 13 7.944 -0.753 -6.044
125 HZ3 TRP 13 3HZ TRP 13 9.370 -4.309 -4.166
126 HH2 TRP 13 2HH TRP 13 8.093 -3.203 -5.928
127 H PHE 14 H PHE 14 10.996 -2.227 1.468
128 HA PHE 14 HA PHE 14 9.370 -4.133 0.318
129 HB2 PHE 14 2HB PHE 14 11.026 -4.771 1.941
130 HB3 PHE 14 3HB PHE 14 10.231 -3.828 3.198
131 HD1 PHE 14 2HD PHE 14 10.038 -6.870 1.148
132 HD2 PHE 14 1HD PHE 14 8.348 -4.682 4.385
133 HE1 PHE 14 2HE PHE 14 8.741 -8.854 1.808
134 HE2 PHE 14 1HE PHE 14 7.050 -6.664 5.050
135 HZ PHE 14 HZ PHE 14 7.244 -8.753 3.761
136 H ASP 15 H ASP 15 8.597 -2.231 3.236
137 HA ASP 15 HA ASP 15 5.967 -3.095 3.527
138 HB2 ASP 15 1HB ASP 15 7.007 -1.902 5.321
139 HB3 ASP 15 2HB ASP 15 7.288 -0.493 4.302
140 H ILE 16 H ILE 16 7.304 -0.487 1.572
141 HA ILE 16 HA ILE 16 4.820 0.640 0.799
142 HB ILE 16 HB ILE 16 7.562 0.782 -0.441
143 HG12 ILE 16 1HG1 ILE 16 7.185 3.236 0.318
144 HG13 ILE 16 2HG1 ILE 16 5.901 2.566 1.318
145 HG21 ILE 16 1HG2 ILE 16 6.301 2.851 -1.576
146 HG22 ILE 16 2HG2 ILE 16 6.422 1.266 -2.335
147 HG23 ILE 16 3HG2 ILE 16 4.955 1.717 -1.469
148 HD11 ILE 16 3HD1 ILE 16 7.423 1.271 2.566
149 HD12 ILE 16 1HD1 ILE 16 8.730 1.570 1.420
150 HD13 ILE 16 2HD1 ILE 16 8.128 2.881 2.435
151 H THR 17 H THR 17 6.709 -2.041 -0.362
152 HA THR 17 HA THR 17 5.758 -2.341 -2.946
153 HB THR 17 HB THR 17 6.086 -4.777 -1.242
154 HG1 THR 17 1HG THR 17 8.471 -4.317 -1.787
155 HG21 THR 17 3HG2 THR 17 5.777 -5.341 -3.474
156 HG22 THR 17 1HG2 THR 17 7.533 -5.324 -3.329
157 HG23 THR 17 2HG2 THR 17 6.696 -3.954 -4.057
158 H ASN 18 H ASN 18 4.407 -3.748 0.038
159 HA ASN 18 HA ASN 18 2.076 -4.721 -1.345
160 HB2 ASN 18 1HB ASN 18 2.913 -6.010 0.519
161 HB3 ASN 18 2HB ASN 18 2.791 -4.619 1.592
162 HD21 ASN 18 2HD2 ASN 18 0.960 -4.306 2.676
163 HD22 ASN 18 1HD2 ASN 18 -0.502 -5.192 2.437
164 H TRP 19 H TRP 19 2.971 -1.885 0.438
165 HA TRP 19 HA TRP 19 0.536 -0.914 1.305
166 HB2 TRP 19 2HB TRP 19 2.723 0.149 1.776
167 HB3 TRP 19 3HB TRP 19 2.792 0.709 0.107
168 HD1 TRP 19 1HD TRP 19 0.007 0.966 2.814
169 HE1 TRP 19 1HE TRP 19 -0.772 3.418 2.906
170 HE3 TRP 19 3HE TRP 19 3.149 2.945 -0.698
171 HZ2 TRP 19 2HZ TRP 19 -0.138 5.866 1.653
172 HZ3 TRP 19 3HZ TRP 19 2.998 5.351 -1.194
173 HH2 TRP 19 2HH TRP 19 1.389 6.779 -0.041
174 H LEU 20 H LEU 20 2.036 -0.509 -1.892
175 HA LEU 20 HA LEU 20 0.010 1.076 -3.017
176 HB2 LEU 20 1HB LEU 20 2.352 -0.367 -3.928
177 HB3 LEU 20 2HB LEU 20 1.042 -0.436 -5.105
178 HG LEU 20 HG LEU 20 1.402 2.259 -4.150
179 HD11 LEU 20 1HD1 LEU 20 3.827 0.914 -5.330
180 HD12 LEU 20 2HD1 LEU 20 3.695 1.623 -3.722
181 HD13 LEU 20 3HD1 LEU 20 3.614 2.655 -5.150
182 HD21 LEU 20 3HD2 LEU 20 1.139 2.773 -6.363
183 HD22 LEU 20 1HD2 LEU 20 0.401 1.171 -6.330
184 HD23 LEU 20 2HD2 LEU 20 2.055 1.368 -6.913
185 H TRP 21 H TRP 21 0.216 -2.330 -2.423
186 HA TRP 21 HA TRP 21 -1.929 -3.021 -4.228
187 HB2 TRP 21 2HB TRP 21 0.100 -4.430 -2.862
188 HB3 TRP 21 3HB TRP 21 -1.431 -5.043 -2.243
189 HD1 TRP 21 1HD TRP 21 0.697 -4.941 -5.402
190 HE1 TRP 21 1HE TRP 21 -0.272 -6.601 -7.114
191 HE3 TRP 21 3HE TRP 21 -3.641 -6.155 -2.985
192 HZ2 TRP 21 2HZ TRP 21 -2.573 -8.211 -7.401
193 HZ3 TRP 21 3HZ TRP 21 -5.172 -7.762 -4.046
194 HH2 TRP 21 2HH TRP 21 -4.647 -8.768 -6.209
195 H TYR 22 H TYR 22 -1.575 -2.110 -0.902
196 HA TYR 22 HA TYR 22 -4.160 -3.081 -0.087
197 HB2 TYR 22 2HB TYR 22 -2.134 -2.789 1.428
198 HB3 TYR 22 3HB TYR 22 -2.458 -1.061 1.370
199 HD1 TYR 22 1HD TYR 22 -4.640 -0.199 2.269
200 HD2 TYR 22 2HD TYR 22 -3.371 -4.218 2.851
201 HE1 TYR 22 1HE TYR 22 -6.253 -0.436 4.111
202 HE2 TYR 22 2HE TYR 22 -4.980 -4.466 4.693
203 HH TYR 22 HH TYR 22 -6.265 -2.181 6.333
204 H ILE 23 H ILE 23 -2.752 0.019 -1.015
205 HA ILE 23 HA ILE 23 -4.935 1.660 -0.384
206 HB ILE 23 HB ILE 23 -4.001 3.259 -2.013
207 HG12 ILE 23 1HG1 ILE 23 -1.946 1.122 -2.604
208 HG13 ILE 23 2HG1 ILE 23 -3.299 1.497 -3.666
209 HG21 ILE 23 1HG2 ILE 23 -2.823 2.291 0.325
210 HG22 ILE 23 2HG2 ILE 23 -1.496 2.488 -0.819
211 HG23 ILE 23 3HG2 ILE 23 -2.546 3.855 -0.441
212 HD11 ILE 23 3HD1 ILE 23 -0.847 3.067 -3.087
213 HD12 ILE 23 1HD1 ILE 23 -1.645 2.735 -4.625
214 HD13 ILE 23 2HD1 ILE 23 -2.326 3.925 -3.515
215 H LYS 24 H LYS 24 -4.398 -0.530 -3.010
216 HA LYS 24 HA LYS 24 -6.378 0.579 -4.760
217 HB2 LYS 24 1HB LYS 24 -4.870 -2.026 -4.706
218 HB3 LYS 24 2HB LYS 24 -6.130 -1.712 -5.892
219 HG2 LYS 24 1HG LYS 24 -4.901 0.190 -6.743
220 HG3 LYS 24 2HG LYS 24 -3.662 -0.029 -5.505
221 HD2 LYS 24 1HD LYS 24 -3.227 -2.299 -6.447
222 HD3 LYS 24 2HD LYS 24 -4.344 -1.916 -7.758
223 HE2 LYS 24 1HE LYS 24 -2.155 0.009 -7.203
224 HE3 LYS 24 2HE LYS 24 -1.721 -1.524 -7.957
225 HZ1 LYS 24 3HZ LYS 24 -3.984 -0.495 -9.254
226 HZ2 LYS 24 1HZ LYS 24 -2.433 -0.744 -9.884
227 HZ3 LYS 24 2HZ LYS 24 -2.827 0.735 -9.166
228 H LEU 25 H LEU 25 -6.266 -2.462 -2.895
229 HA LEU 25 HA LEU 25 -8.971 -3.120 -3.286
230 HB2 LEU 25 1HB LEU 25 -8.636 -4.607 -1.294
231 HB3 LEU 25 2HB LEU 25 -7.495 -4.836 -2.617
232 HG LEU 25 HG LEU 25 -6.116 -3.104 -1.055
233 HD11 LEU 25 1HD1 LEU 25 -6.717 -3.108 1.085
234 HD12 LEU 25 2HD1 LEU 25 -6.880 -4.863 1.107
235 HD13 LEU 25 3HD1 LEU 25 -8.230 -3.860 0.577
236 HD21 LEU 25 3HD2 LEU 25 -4.812 -5.021 -0.364
237 HD22 LEU 25 1HD2 LEU 25 -5.330 -5.223 -2.038
238 HD23 LEU 25 2HD2 LEU 25 -6.150 -6.105 -0.749
239 H PHE 26 H PHE 26 -7.341 -1.230 -0.806
240 HA PHE 26 HA PHE 26 -9.327 -1.020 1.098
241 HB2 PHE 26 2HB PHE 26 -7.151 -0.086 1.512
242 HB3 PHE 26 3HB PHE 26 -7.323 1.044 0.173
243 HD1 PHE 26 1HD PHE 26 -8.942 0.124 3.399
244 HD2 PHE 26 2HD PHE 26 -8.010 3.198 0.607
245 HE1 PHE 26 1HE PHE 26 -9.868 1.801 4.942
246 HE2 PHE 26 2HE PHE 26 -8.933 4.880 2.147
247 HZ PHE 26 HZ PHE 26 -9.863 4.183 4.318
248 H ILE 27 H ILE 27 -8.737 1.373 -1.484
249 HA ILE 27 HA ILE 27 -11.034 2.877 -1.118
250 HB ILE 27 HB ILE 27 -9.620 2.329 -3.731
251 HG12 ILE 27 1HG1 ILE 27 -8.140 3.217 -1.962
252 HG13 ILE 27 2HG1 ILE 27 -8.376 4.376 -3.264
253 HG21 ILE 27 1HG2 ILE 27 -10.610 4.857 -3.898
254 HG22 ILE 27 2HG2 ILE 27 -11.385 3.426 -4.575
255 HG23 ILE 27 3HG2 ILE 27 -11.886 4.037 -2.999
256 HD11 ILE 27 3HD1 ILE 27 -9.130 5.888 -1.842
257 HD12 ILE 27 1HD1 ILE 27 -10.348 4.774 -1.224
258 HD13 ILE 27 2HD1 ILE 27 -8.727 4.785 -0.527
259 H MET 28 H MET 28 -10.553 -0.027 -3.077
260 HA MET 28 HA MET 28 -13.017 -0.066 -4.386
261 HB2 MET 28 1HB MET 28 -11.098 -1.541 -4.931
262 HB3 MET 28 2HB MET 28 -11.402 -2.446 -3.455
263 HG2 MET 28 1HG MET 28 -13.845 -2.489 -4.687
264 HG3 MET 28 2HG MET 28 -12.727 -2.577 -6.045
265 HE1 MET 28 3HE MET 28 -13.885 -5.644 -3.025
266 HE2 MET 28 1HE MET 28 -12.682 -4.591 -2.279
267 HE3 MET 28 2HE MET 28 -14.150 -3.900 -2.971
268 H ILE 29 H ILE 29 -12.109 -1.127 -1.163
269 HA ILE 29 HA ILE 29 -14.681 -2.335 -0.645
270 HB ILE 29 HB ILE 29 -12.407 -1.727 1.248
271 HG12 ILE 29 1HG1 ILE 29 -13.187 -4.432 0.186
272 HG13 ILE 29 2HG1 ILE 29 -12.071 -3.396 -0.697
273 HG21 ILE 29 1HG2 ILE 29 -14.064 -2.020 2.757
274 HG22 ILE 29 2HG2 ILE 29 -15.092 -2.892 1.620
275 HG23 ILE 29 3HG2 ILE 29 -13.761 -3.725 2.423
276 HD11 ILE 29 3HD1 ILE 29 -10.436 -3.561 0.928
277 HD12 ILE 29 1HD1 ILE 29 -11.583 -4.048 2.176
278 HD13 ILE 29 2HD1 ILE 29 -11.134 -5.180 0.900
279 H VAL 30 H VAL 30 -13.011 0.666 0.129
280 HA VAL 30 HA VAL 30 -14.809 1.671 2.031
281 HB VAL 30 HB VAL 30 -13.190 3.277 0.051
282 HG11 VAL 30 1HG1 VAL 30 -14.451 4.901 1.004
283 HG12 VAL 30 2HG1 VAL 30 -14.787 3.946 2.449
284 HG13 VAL 30 3HG1 VAL 30 -13.235 4.765 2.273
285 HG21 VAL 30 3HG2 VAL 30 -11.361 2.544 1.077
286 HG22 VAL 30 1HG2 VAL 30 -11.968 3.203 2.596
287 HG23 VAL 30 2HG2 VAL 30 -12.337 1.538 2.147
288 H GLY 31 H GLY 31 -14.745 1.987 -1.502
289 HA2 GLY 31 1HA GLY 31 -16.817 3.801 -1.842
290 HA3 GLY 31 2HA GLY 31 -16.399 2.543 -2.994
291 H LYS 32 H LYS 32 -16.967 0.422 -0.996
292 HA LYS 32 HA LYS 32 -19.760 0.130 -1.598
293 HB2 LYS 32 1HB LYS 32 -17.773 -1.569 -0.095
294 HB3 LYS 32 2HB LYS 32 -19.472 -2.005 -0.223
295 HG2 LYS 32 1HG LYS 32 -19.137 -1.801 -2.754
296 HG3 LYS 32 2HG LYS 32 -17.411 -1.837 -2.389
297 HD2 LYS 32 1HD LYS 32 -18.196 -3.943 -0.939
298 HD3 LYS 32 2HD LYS 32 -19.447 -3.978 -2.185
299 HE2 LYS 32 1HE LYS 32 -16.819 -3.542 -3.316
300 HE3 LYS 32 2HE LYS 32 -16.877 -5.025 -2.364
301 HZ1 LYS 32 3HZ LYS 32 -18.997 -4.444 -4.323
302 HZ2 LYS 32 1HZ LYS 32 -18.478 -5.939 -3.723
303 HZ3 LYS 32 2HZ LYS 32 -17.525 -5.099 -4.839
304 H LYS 33 H LYS 33 -17.837 0.648 1.329
305 HA LYS 33 HA LYS 33 -20.045 0.562 3.119
306 HB2 LYS 33 1HB LYS 33 -17.390 1.937 3.547
307 HB3 LYS 33 2HB LYS 33 -18.509 1.384 4.787
308 HG2 LYS 33 1HG LYS 33 -17.057 -0.416 2.858
309 HG3 LYS 33 2HG LYS 33 -16.548 -0.084 4.516
310 HD2 LYS 33 1HD LYS 33 -19.292 -1.136 3.917
311 HD3 LYS 33 2HD LYS 33 -17.908 -2.223 4.053
312 HE2 LYS 33 1HE LYS 33 -17.457 -1.152 6.299
313 HE3 LYS 33 2HE LYS 33 -19.035 -0.380 6.150
314 HZ1 LYS 33 3HZ LYS 33 -20.128 -2.395 6.299
315 HZ2 LYS 33 1HZ LYS 33 -18.857 -2.600 7.396
316 HZ3 LYS 33 2HZ LYS 33 -18.768 -3.302 5.860
317 H LYS 34 H LYS 34 -18.365 3.154 1.418
318 HA LYS 34 HA LYS 34 -19.514 5.354 2.677
319 HB2 LYS 34 1HB LYS 34 -17.990 4.849 0.295
320 HB3 LYS 34 2HB LYS 34 -19.277 5.990 -0.069
321 HG2 LYS 34 1HG LYS 34 -18.460 7.584 1.391
322 HG3 LYS 34 2HG LYS 34 -17.551 6.401 2.334
323 HD2 LYS 34 1HD LYS 34 -15.794 6.384 0.874
324 HD3 LYS 34 2HD LYS 34 -16.810 6.760 -0.521
325 HE2 LYS 34 1HE LYS 34 -16.535 8.973 -0.268
326 HE3 LYS 34 2HE LYS 34 -16.702 8.888 1.484
327 HZ1 LYS 34 3HZ LYS 34 -14.251 7.749 0.490
328 HZ2 LYS 34 1HZ LYS 34 -14.501 8.836 1.761
329 HZ3 LYS 34 2HZ LYS 34 -14.405 9.403 0.170
330 H LYS 35 H LYS 35 -20.699 3.427 -0.046
331 HA LYS 35 HA LYS 35 -22.729 3.307 -1.071
332 HB2 LYS 35 1HB LYS 35 -23.757 4.273 1.603
333 HB3 LYS 35 2HB LYS 35 -24.690 3.436 0.369
334 HG2 LYS 35 1HG LYS 35 -23.510 1.415 0.717
335 HG3 LYS 35 2HG LYS 35 -22.292 2.219 1.710
336 HD2 LYS 35 1HD LYS 35 -23.544 1.405 3.407
337 HD3 LYS 35 2HD LYS 35 -24.514 2.847 3.095
338 HE2 LYS 35 1HE LYS 35 -25.082 0.324 1.599
339 HE3 LYS 35 2HE LYS 35 -25.653 0.503 3.257
340 HZ1 LYS 35 3HZ LYS 35 -26.265 2.839 1.821
341 HZ2 LYS 35 1HZ LYS 35 -27.327 1.727 2.527
342 HZ3 LYS 35 2HZ LYS 35 -26.811 1.508 0.932
343 H LYS 36 H LYS 36 -21.604 5.402 -2.045
344 HA LYS 36 HA LYS 36 -23.751 7.334 -2.312
345 HB2 LYS 36 1HB LYS 36 -22.070 8.035 -0.439
346 HB3 LYS 36 2HB LYS 36 -21.011 8.435 -1.786
347 HG2 LYS 36 1HG LYS 36 -22.005 10.450 -1.518
348 HG3 LYS 36 2HG LYS 36 -23.184 9.720 -2.610
349 HD2 LYS 36 1HD LYS 36 -23.966 8.914 -0.058
350 HD3 LYS 36 2HD LYS 36 -23.505 10.609 0.121
351 HE2 LYS 36 1HE LYS 36 -25.366 9.599 -2.022
352 HE3 LYS 36 2HE LYS 36 -25.915 10.208 -0.461
353 HZ1 LYS 36 3HZ LYS 36 -26.033 12.081 -1.744
354 HZ2 LYS 36 1HZ LYS 36 -24.701 11.665 -2.702
355 HZ3 LYS 36 2HZ LYS 36 -24.464 12.246 -1.131
Start of MODEL 20
1 H1 LYS 1 H LYS 1 16.540 14.402 1.648
2 HA LYS 1 HA LYS 1 18.321 15.820 1.631
3 HB2 LYS 1 1HB LYS 1 18.044 15.493 4.617
4 HB3 LYS 1 2HB LYS 1 19.251 16.540 3.882
5 HG2 LYS 1 1HG LYS 1 17.765 18.151 3.491
6 HG3 LYS 1 2HG LYS 1 16.573 17.016 2.853
7 HD2 LYS 1 1HD LYS 1 15.828 16.464 5.067
8 HD3 LYS 1 2HD LYS 1 17.134 17.404 5.791
9 HE2 LYS 1 1HE LYS 1 15.033 18.614 4.008
10 HE3 LYS 1 2HE LYS 1 14.853 18.498 5.758
11 HZ1 LYS 1 3HZ LYS 1 16.003 20.366 5.928
12 HZ2 LYS 1 1HZ LYS 1 16.269 20.416 4.258
13 HZ3 LYS 1 2HZ LYS 1 17.356 19.599 5.264
14 H LYS 2 H LYS 2 18.982 13.505 4.267
15 HA LYS 2 HA LYS 2 21.647 13.052 3.166
16 HB2 LYS 2 1HB LYS 2 20.483 11.866 5.684
17 HB3 LYS 2 2HB LYS 2 22.180 11.998 5.243
18 HG2 LYS 2 1HG LYS 2 20.359 14.328 5.818
19 HG3 LYS 2 2HG LYS 2 21.506 13.623 6.960
20 HD2 LYS 2 1HD LYS 2 22.944 14.134 4.594
21 HD3 LYS 2 2HD LYS 2 21.960 15.566 4.901
22 HE2 LYS 2 1HE LYS 2 23.934 15.981 6.072
23 HE3 LYS 2 2HE LYS 2 22.823 15.399 7.310
24 HZ1 LYS 2 3HZ LYS 2 23.969 13.120 6.473
25 HZ2 LYS 2 1HZ LYS 2 24.492 14.017 7.808
26 HZ3 LYS 2 2HZ LYS 2 25.255 14.207 6.311
27 H LYS 3 H LYS 3 22.250 11.247 2.131
28 HA LYS 3 HA LYS 3 20.225 9.153 1.769
29 HB2 LYS 3 1HB LYS 3 22.683 9.823 0.140
30 HB3 LYS 3 2HB LYS 3 21.587 8.492 -0.206
31 HG2 LYS 3 1HG LYS 3 19.750 10.216 -0.385
32 HG3 LYS 3 2HG LYS 3 21.023 11.439 -0.347
33 HD2 LYS 3 1HD LYS 3 22.028 10.511 -2.339
34 HD3 LYS 3 2HD LYS 3 20.868 9.181 -2.344
35 HE2 LYS 3 1HE LYS 3 19.294 11.462 -2.271
36 HE3 LYS 3 2HE LYS 3 20.608 11.882 -3.370
37 HZ1 LYS 3 3HZ LYS 3 18.859 9.491 -3.591
38 HZ2 LYS 3 1HZ LYS 3 20.129 9.878 -4.640
39 HZ3 LYS 3 2HZ LYS 3 18.768 10.878 -4.556
40 H LYS 4 H LYS 4 21.774 9.259 4.169
41 HA LYS 4 HA LYS 4 24.000 7.556 4.155
42 HB2 LYS 4 1HB LYS 4 22.067 8.496 6.218
43 HB3 LYS 4 2HB LYS 4 23.089 7.122 6.620
44 HG2 LYS 4 1HG LYS 4 25.025 8.367 6.546
45 HG3 LYS 4 2HG LYS 4 24.320 9.595 5.494
46 HD2 LYS 4 1HD LYS 4 24.529 10.596 7.628
47 HD3 LYS 4 2HD LYS 4 22.818 10.210 7.434
48 HE2 LYS 4 1HE LYS 4 23.038 8.268 8.821
49 HE3 LYS 4 2HE LYS 4 24.790 8.445 8.874
50 HZ1 LYS 4 3HZ LYS 4 22.743 9.845 10.377
51 HZ2 LYS 4 1HZ LYS 4 24.019 10.808 9.824
52 HZ3 LYS 4 2HZ LYS 4 24.335 9.468 10.806
53 H ASP 5 H ASP 5 24.253 5.379 4.313
54 HA ASP 5 HA ASP 5 23.761 3.172 4.047
55 HB2 ASP 5 1HB ASP 5 21.435 4.056 5.755
56 HB3 ASP 5 2HB ASP 5 21.694 2.373 5.303
57 H LYS 6 H LYS 6 23.504 3.183 1.815
58 HA LYS 6 HA LYS 6 21.156 3.948 0.462
59 HB2 LYS 6 1HB LYS 6 23.706 2.992 -0.235
60 HB3 LYS 6 2HB LYS 6 22.565 1.846 -0.927
61 HG2 LYS 6 1HG LYS 6 22.982 3.484 -2.578
62 HG3 LYS 6 2HG LYS 6 21.367 3.805 -1.942
63 HD2 LYS 6 1HD LYS 6 22.210 5.925 -1.900
64 HD3 LYS 6 2HD LYS 6 22.730 5.380 -0.304
65 HE2 LYS 6 1HE LYS 6 24.842 4.568 -1.683
66 HE3 LYS 6 2HE LYS 6 24.319 5.853 -2.771
67 HZ1 LYS 6 3HZ LYS 6 25.949 6.329 -0.795
68 HZ2 LYS 6 1HZ LYS 6 24.511 6.455 0.089
69 HZ3 LYS 6 2HZ LYS 6 24.776 7.460 -1.246
70 H TRP 7 H TRP 7 22.151 0.940 1.951
71 HA TRP 7 HA TRP 7 20.198 -0.734 0.788
72 HB2 TRP 7 2HB TRP 7 21.423 -1.065 3.530
73 HB3 TRP 7 3HB TRP 7 20.767 -2.327 2.490
74 HD1 TRP 7 1HD TRP 7 22.280 -3.129 0.423
75 HE1 TRP 7 1HE TRP 7 24.807 -2.926 -0.025
76 HE3 TRP 7 3HE TRP 7 23.434 0.459 3.878
77 HZ2 TRP 7 2HZ TRP 7 26.999 -1.442 0.956
78 HZ3 TRP 7 3HZ TRP 7 25.768 1.215 4.060
79 HH2 TRP 7 2HH TRP 7 27.512 0.281 2.628
80 H ALA 8 H ALA 8 20.238 1.112 3.818
81 HA ALA 8 HA ALA 8 17.808 0.268 4.870
82 HB1 ALA 8 3HB ALA 8 18.816 3.086 5.129
83 HB2 ALA 8 1HB ALA 8 17.896 2.135 6.296
84 HB3 ALA 8 2HB ALA 8 19.579 1.729 5.958
85 H SER 9 H SER 9 18.497 2.737 2.453
86 HA SER 9 HA SER 9 15.897 3.847 2.349
87 HB2 SER 9 1HB SER 9 17.627 3.812 -0.087
88 HB3 SER 9 2HB SER 9 16.677 5.131 0.597
89 HG SER 9 HG SER 9 18.558 5.750 1.320
90 H LEU 10 H LEU 10 17.494 1.318 0.443
91 HA LEU 10 HA LEU 10 15.309 0.847 -1.294
92 HB2 LEU 10 1HB LEU 10 17.870 0.109 -1.329
93 HB3 LEU 10 2HB LEU 10 17.179 -1.362 -0.646
94 HG LEU 10 HG LEU 10 15.902 -0.312 -3.101
95 HD11 LEU 10 1HD1 LEU 10 18.526 -0.179 -3.244
96 HD12 LEU 10 2HD1 LEU 10 17.569 -0.818 -4.580
97 HD13 LEU 10 3HD1 LEU 10 18.376 -1.923 -3.466
98 HD21 LEU 10 3HD2 LEU 10 15.403 -2.462 -1.727
99 HD22 LEU 10 1HD2 LEU 10 16.806 -3.112 -2.576
100 HD23 LEU 10 2HD2 LEU 10 15.411 -2.535 -3.490
101 H TRP 11 H TRP 11 16.275 -0.512 1.805
102 HA TRP 11 HA TRP 11 14.458 -2.664 1.857
103 HB2 TRP 11 2HB TRP 11 16.428 -2.358 3.387
104 HB3 TRP 11 3HB TRP 11 15.499 -1.131 4.244
105 HD1 TRP 11 1HD TRP 11 14.001 -1.967 6.161
106 HE1 TRP 11 1HE TRP 11 13.226 -4.272 7.003
107 HE3 TRP 11 3HE TRP 11 15.816 -4.869 2.365
108 HZ2 TRP 11 2HZ TRP 11 13.366 -6.965 6.169
109 HZ3 TRP 11 3HZ TRP 11 15.454 -7.302 2.463
110 HH2 TRP 11 2HH TRP 11 14.254 -8.325 4.327
111 H ASN 12 H ASN 12 14.177 0.703 2.874
112 HA ASN 12 HA ASN 12 11.748 0.566 4.227
113 HB2 ASN 12 1HB ASN 12 13.415 2.645 3.066
114 HB3 ASN 12 2HB ASN 12 11.703 3.024 2.912
115 HD21 ASN 12 2HD2 ASN 12 13.966 1.726 5.319
116 HD22 ASN 12 1HD2 ASN 12 13.325 2.619 6.651
117 H TRP 13 H TRP 13 12.444 0.583 0.808
118 HA TRP 13 HA TRP 13 9.940 1.281 -0.206
119 HB2 TRP 13 2HB TRP 13 12.090 0.984 -1.508
120 HB3 TRP 13 3HB TRP 13 11.803 -0.752 -1.441
121 HD1 TRP 13 1HD TRP 13 10.326 2.455 -2.970
122 HE1 TRP 13 1HE TRP 13 8.868 1.794 -4.984
123 HE3 TRP 13 3HE TRP 13 10.494 -2.630 -2.460
124 HZ2 TRP 13 2HZ TRP 13 7.913 -0.570 -6.197
125 HZ3 TRP 13 3HZ TRP 13 9.282 -4.019 -4.088
126 HH2 TRP 13 2HH TRP 13 8.017 -3.008 -5.917
127 H PHE 14 H PHE 14 10.985 -1.584 1.387
128 HA PHE 14 HA PHE 14 9.315 -3.537 0.388
129 HB2 PHE 14 2HB PHE 14 10.973 -4.096 2.034
130 HB3 PHE 14 3HB PHE 14 10.217 -3.047 3.229
131 HD1 PHE 14 2HD PHE 14 9.527 -6.055 1.151
132 HD2 PHE 14 1HD PHE 14 8.733 -3.938 4.756
133 HE1 PHE 14 2HE PHE 14 8.197 -7.956 1.970
134 HE2 PHE 14 1HE PHE 14 7.402 -5.836 5.582
135 HZ PHE 14 HZ PHE 14 7.131 -7.848 4.187
136 H ASP 15 H ASP 15 8.603 -1.424 3.174
137 HA ASP 15 HA ASP 15 5.963 -2.220 3.549
138 HB2 ASP 15 1HB ASP 15 7.248 -0.852 5.160
139 HB3 ASP 15 2HB ASP 15 7.141 0.520 4.060
140 H ILE 16 H ILE 16 7.323 0.214 1.397
141 HA ILE 16 HA ILE 16 4.848 1.327 0.572
142 HB ILE 16 HB ILE 16 7.580 1.336 -0.701
143 HG12 ILE 16 1HG1 ILE 16 7.249 3.844 -0.114
144 HG13 ILE 16 2HG1 ILE 16 5.963 3.268 0.940
145 HG21 ILE 16 1HG2 ILE 16 4.976 2.240 -1.768
146 HG22 ILE 16 2HG2 ILE 16 6.339 3.340 -1.967
147 HG23 ILE 16 3HG2 ILE 16 6.426 1.702 -2.614
148 HD11 ILE 16 3HD1 ILE 16 8.203 3.626 2.016
149 HD12 ILE 16 1HD1 ILE 16 7.477 2.039 2.267
150 HD13 ILE 16 2HD1 ILE 16 8.777 2.238 1.093
151 H THR 17 H THR 17 6.683 -1.459 -0.415
152 HA THR 17 HA THR 17 5.695 -1.923 -2.962
153 HB THR 17 HB THR 17 6.016 -4.246 -1.107
154 HG1 THR 17 1HG THR 17 8.357 -3.943 -1.473
155 HG21 THR 17 3HG2 THR 17 5.683 -4.935 -3.304
156 HG22 THR 17 1HG2 THR 17 7.440 -4.945 -3.158
157 HG23 THR 17 2HG2 THR 17 6.629 -3.605 -3.970
158 H ASN 18 H ASN 18 4.362 -3.063 0.141
159 HA ASN 18 HA ASN 18 1.998 -4.104 -1.148
160 HB2 ASN 18 1HB ASN 18 3.286 -4.805 1.122
161 HB3 ASN 18 2HB ASN 18 2.030 -3.771 1.795
162 HD21 ASN 18 2HD2 ASN 18 1.849 -6.202 2.630
163 HD22 ASN 18 1HD2 ASN 18 0.620 -7.109 1.821
164 H TRP 19 H TRP 19 2.973 -1.183 0.439
165 HA TRP 19 HA TRP 19 0.571 -0.125 1.302
166 HB2 TRP 19 2HB TRP 19 2.743 0.951 1.695
167 HB3 TRP 19 3HB TRP 19 2.860 1.352 -0.015
168 HD1 TRP 19 1HD TRP 19 0.154 1.982 2.714
169 HE1 TRP 19 1HE TRP 19 -0.599 4.435 2.515
170 HE3 TRP 19 3HE TRP 19 3.131 3.431 -1.181
171 HZ2 TRP 19 2HZ TRP 19 -0.009 6.686 0.918
172 HZ3 TRP 19 3HZ TRP 19 2.976 5.752 -1.985
173 HH2 TRP 19 2HH TRP 19 1.436 7.344 -0.956
174 H LEU 20 H LEU 20 2.011 0.091 -1.942
175 HA LEU 20 HA LEU 20 -0.061 1.611 -3.096
176 HB2 LEU 20 1HB LEU 20 2.334 0.272 -3.961
177 HB3 LEU 20 2HB LEU 20 1.028 -0.004 -5.112
178 HG LEU 20 HG LEU 20 0.866 2.695 -4.706
179 HD11 LEU 20 1HD1 LEU 20 3.307 3.386 -5.101
180 HD12 LEU 20 2HD1 LEU 20 3.716 1.828 -4.381
181 HD13 LEU 20 3HD1 LEU 20 2.800 3.015 -3.452
182 HD21 LEU 20 3HD2 LEU 20 2.350 2.680 -6.885
183 HD22 LEU 20 1HD2 LEU 20 0.715 2.019 -6.884
184 HD23 LEU 20 2HD2 LEU 20 2.102 0.937 -6.763
185 H TRP 21 H TRP 21 0.262 -1.775 -2.415
186 HA TRP 21 HA TRP 21 -1.894 -2.575 -4.159
187 HB2 TRP 21 2HB TRP 21 0.215 -3.893 -2.878
188 HB3 TRP 21 3HB TRP 21 -1.238 -4.497 -2.088
189 HD1 TRP 21 1HD TRP 21 0.458 -4.377 -5.531
190 HE1 TRP 21 1HE TRP 21 -0.567 -6.219 -7.008
191 HE3 TRP 21 3HE TRP 21 -3.290 -5.922 -2.418
192 HZ2 TRP 21 2HZ TRP 21 -2.685 -8.079 -6.872
193 HZ3 TRP 21 3HZ TRP 21 -4.773 -7.737 -3.166
194 HH2 TRP 21 2HH TRP 21 -4.475 -8.792 -5.348
195 H TYR 22 H TYR 22 -1.512 -1.557 -0.870
196 HA TYR 22 HA TYR 22 -4.034 -2.601 0.037
197 HB2 TYR 22 2HB TYR 22 -2.180 -2.291 1.607
198 HB3 TYR 22 3HB TYR 22 -2.182 -0.560 1.288
199 HD1 TYR 22 1HD TYR 22 -4.128 0.820 2.026
200 HD2 TYR 22 2HD TYR 22 -3.698 -3.259 3.156
201 HE1 TYR 22 1HE TYR 22 -5.756 1.157 3.839
202 HE2 TYR 22 2HE TYR 22 -5.325 -2.934 4.972
203 HH TYR 22 HH TYR 22 -6.103 -0.760 6.377
204 H ILE 23 H ILE 23 -2.789 0.535 -1.014
205 HA ILE 23 HA ILE 23 -5.040 2.088 -0.415
206 HB ILE 23 HB ILE 23 -4.212 3.667 -2.118
207 HG12 ILE 23 1HG1 ILE 23 -2.045 1.637 -2.671
208 HG13 ILE 23 2HG1 ILE 23 -3.455 1.845 -3.703
209 HG21 ILE 23 1HG2 ILE 23 -1.643 3.173 -1.007
210 HG22 ILE 23 2HG2 ILE 23 -2.846 4.365 -0.517
211 HG23 ILE 23 3HG2 ILE 23 -2.861 2.752 0.197
212 HD11 ILE 23 3HD1 ILE 23 -2.267 4.389 -3.270
213 HD12 ILE 23 1HD1 ILE 23 -1.014 3.250 -3.762
214 HD13 ILE 23 2HD1 ILE 23 -2.439 3.485 -4.775
215 H LYS 24 H LYS 24 -4.454 -0.188 -2.952
216 HA LYS 24 HA LYS 24 -6.511 0.763 -4.710
217 HB2 LYS 24 1HB LYS 24 -4.934 -1.807 -4.583
218 HB3 LYS 24 2HB LYS 24 -6.172 -1.513 -5.798
219 HG2 LYS 24 1HG LYS 24 -4.935 0.400 -6.632
220 HG3 LYS 24 2HG LYS 24 -3.712 0.174 -5.380
221 HD2 LYS 24 1HD LYS 24 -3.237 -2.073 -6.312
222 HD3 LYS 24 2HD LYS 24 -4.384 -1.742 -7.612
223 HE2 LYS 24 1HE LYS 24 -2.523 -1.047 -8.688
224 HE3 LYS 24 2HE LYS 24 -2.839 0.445 -7.804
225 HZ1 LYS 24 3HZ LYS 24 -0.497 -0.671 -7.742
226 HZ2 LYS 24 1HZ LYS 24 -1.196 -1.624 -6.531
227 HZ3 LYS 24 2HZ LYS 24 -1.135 0.057 -6.355
228 H LEU 25 H LEU 25 -6.226 -2.195 -2.730
229 HA LEU 25 HA LEU 25 -8.905 -2.984 -3.040
230 HB2 LEU 25 1HB LEU 25 -8.464 -4.382 -1.004
231 HB3 LEU 25 2HB LEU 25 -7.343 -4.610 -2.345
232 HG LEU 25 HG LEU 25 -6.010 -2.762 -0.873
233 HD11 LEU 25 1HD1 LEU 25 -7.259 -4.594 1.159
234 HD12 LEU 25 2HD1 LEU 25 -7.820 -2.947 0.872
235 HD13 LEU 25 3HD1 LEU 25 -6.175 -3.232 1.439
236 HD21 LEU 25 3HD2 LEU 25 -4.531 -4.505 -0.315
237 HD22 LEU 25 1HD2 LEU 25 -5.291 -5.001 -1.827
238 HD23 LEU 25 2HD2 LEU 25 -5.823 -5.707 -0.300
239 H PHE 26 H PHE 26 -7.310 -0.937 -0.667
240 HA PHE 26 HA PHE 26 -9.263 -0.744 1.273
241 HB2 PHE 26 2HB PHE 26 -7.098 0.292 1.570
242 HB3 PHE 26 3HB PHE 26 -7.401 1.399 0.235
243 HD1 PHE 26 2HD PHE 26 -8.893 3.290 0.498
244 HD2 PHE 26 1HD PHE 26 -8.110 0.633 3.730
245 HE1 PHE 26 2HE PHE 26 -9.843 4.928 2.069
246 HE2 PHE 26 1HE PHE 26 -9.060 2.266 5.306
247 HZ PHE 26 HZ PHE 26 -9.927 4.416 4.477
248 H ILE 27 H ILE 27 -8.846 1.513 -1.460
249 HA ILE 27 HA ILE 27 -11.228 2.921 -1.068
250 HB ILE 27 HB ILE 27 -9.768 2.446 -3.669
251 HG12 ILE 27 1HG1 ILE 27 -8.360 3.440 -1.897
252 HG13 ILE 27 2HG1 ILE 27 -8.657 4.567 -3.216
253 HG21 ILE 27 1HG2 ILE 27 -12.099 4.098 -2.925
254 HG22 ILE 27 2HG2 ILE 27 -10.889 4.862 -3.955
255 HG23 ILE 27 3HG2 ILE 27 -11.671 3.369 -4.472
256 HD11 ILE 27 3HD1 ILE 27 -10.105 4.548 -0.579
257 HD12 ILE 27 1HD1 ILE 27 -8.798 5.643 -1.029
258 HD13 ILE 27 2HD1 ILE 27 -10.336 5.704 -1.890
259 H MET 28 H MET 28 -10.616 -0.152 -2.570
260 HA MET 28 HA MET 28 -13.052 -0.314 -4.039
261 HB2 MET 28 1HB MET 28 -11.016 -1.671 -4.527
262 HB3 MET 28 2HB MET 28 -11.310 -2.577 -3.049
263 HG2 MET 28 1HG MET 28 -13.715 -2.766 -4.328
264 HG3 MET 28 2HG MET 28 -12.572 -2.790 -5.668
265 HE1 MET 28 3HE MET 28 -13.377 -3.932 -2.276
266 HE2 MET 28 1HE MET 28 -13.473 -5.686 -2.425
267 HE3 MET 28 2HE MET 28 -11.960 -4.925 -1.932
268 H ILE 29 H ILE 29 -12.043 -1.276 -0.807
269 HA ILE 29 HA ILE 29 -14.484 -2.668 -0.217
270 HB ILE 29 HB ILE 29 -12.329 -1.674 1.652
271 HG12 ILE 29 1HG1 ILE 29 -12.767 -4.515 0.761
272 HG13 ILE 29 2HG1 ILE 29 -11.764 -3.412 -0.176
273 HG21 ILE 29 1HG2 ILE 29 -14.398 -2.012 2.845
274 HG22 ILE 29 2HG2 ILE 29 -14.605 -3.598 2.104
275 HG23 ILE 29 3HG2 ILE 29 -13.280 -3.319 3.234
276 HD11 ILE 29 3HD1 ILE 29 -10.807 -5.017 1.728
277 HD12 ILE 29 1HD1 ILE 29 -10.082 -3.462 1.321
278 HD13 ILE 29 2HD1 ILE 29 -11.169 -3.594 2.704
279 H VAL 30 H VAL 30 -13.181 0.548 0.402
280 HA VAL 30 HA VAL 30 -15.144 1.442 2.200
281 HB VAL 30 HB VAL 30 -13.649 3.127 0.188
282 HG11 VAL 30 1HG1 VAL 30 -15.526 4.261 1.280
283 HG12 VAL 30 2HG1 VAL 30 -14.860 3.839 2.858
284 HG13 VAL 30 3HG1 VAL 30 -13.976 4.931 1.791
285 HG21 VAL 30 3HG2 VAL 30 -12.492 3.268 2.770
286 HG22 VAL 30 1HG2 VAL 30 -12.650 1.563 2.346
287 HG23 VAL 30 2HG2 VAL 30 -11.772 2.660 1.279
288 H GLY 31 H GLY 31 -14.959 1.673 -1.343
289 HA2 GLY 31 1HA GLY 31 -17.216 3.199 -1.830
290 HA3 GLY 31 2HA GLY 31 -16.609 1.957 -2.916
291 H LYS 32 H LYS 32 -17.004 -0.219 -1.042
292 HA LYS 32 HA LYS 32 -19.664 -0.899 -1.714
293 HB2 LYS 32 1HB LYS 32 -17.855 -2.178 0.344
294 HB3 LYS 32 2HB LYS 32 -19.295 -2.903 -0.360
295 HG2 LYS 32 1HG LYS 32 -17.184 -2.005 -2.231
296 HG3 LYS 32 2HG LYS 32 -16.843 -3.426 -1.240
297 HD2 LYS 32 1HD LYS 32 -19.497 -3.607 -2.308
298 HD3 LYS 32 2HD LYS 32 -18.351 -3.293 -3.614
299 HE2 LYS 32 1HE LYS 32 -16.956 -5.171 -2.702
300 HE3 LYS 32 2HE LYS 32 -18.289 -5.543 -1.612
301 HZ1 LYS 32 3HZ LYS 32 -19.711 -5.918 -3.518
302 HZ2 LYS 32 1HZ LYS 32 -18.342 -6.908 -3.612
303 HZ3 LYS 32 2HZ LYS 32 -18.452 -5.524 -4.577
304 H LYS 33 H LYS 33 -18.157 0.103 1.337
305 HA LYS 33 HA LYS 33 -20.459 -0.131 2.938
306 HB2 LYS 33 1HB LYS 33 -18.185 1.814 3.341
307 HB3 LYS 33 2HB LYS 33 -19.271 1.181 4.571
308 HG2 LYS 33 1HG LYS 33 -17.285 -0.447 2.997
309 HG3 LYS 33 2HG LYS 33 -17.060 0.132 4.649
310 HD2 LYS 33 1HD LYS 33 -19.322 -1.662 3.780
311 HD3 LYS 33 2HD LYS 33 -17.811 -2.245 4.481
312 HE2 LYS 33 1HE LYS 33 -18.316 -0.684 6.434
313 HE3 LYS 33 2HE LYS 33 -19.941 -0.554 5.761
314 HZ1 LYS 33 3HZ LYS 33 -18.707 -3.176 6.356
315 HZ2 LYS 33 1HZ LYS 33 -20.343 -2.812 6.121
316 HZ3 LYS 33 2HZ LYS 33 -19.559 -2.305 7.531
317 H LYS 34 H LYS 34 -19.199 2.506 0.972
318 HA LYS 34 HA LYS 34 -20.827 4.580 1.844
319 HB2 LYS 34 1HB LYS 34 -18.931 4.836 0.270
320 HB3 LYS 34 2HB LYS 34 -19.890 4.064 -0.986
321 HG2 LYS 34 1HG LYS 34 -21.323 5.878 -1.185
322 HG3 LYS 34 2HG LYS 34 -20.889 6.520 0.401
323 HD2 LYS 34 1HD LYS 34 -19.556 7.919 -0.733
324 HD3 LYS 34 2HD LYS 34 -18.485 6.527 -0.916
325 HE2 LYS 34 1HE LYS 34 -19.073 6.189 -3.097
326 HE3 LYS 34 2HE LYS 34 -20.694 6.848 -2.875
327 HZ1 LYS 34 3HZ LYS 34 -18.464 8.131 -3.929
328 HZ2 LYS 34 1HZ LYS 34 -18.793 8.880 -2.449
329 HZ3 LYS 34 2HZ LYS 34 -19.993 8.790 -3.636
330 H LYS 35 H LYS 35 -21.532 1.908 -0.305
331 HA LYS 35 HA LYS 35 -24.065 2.977 -1.163
332 HB2 LYS 35 1HB LYS 35 -22.669 0.336 -1.523
333 HB3 LYS 35 2HB LYS 35 -24.340 0.558 -2.025
334 HG2 LYS 35 1HG LYS 35 -23.523 2.525 -3.393
335 HG3 LYS 35 2HG LYS 35 -21.889 1.942 -3.068
336 HD2 LYS 35 1HD LYS 35 -22.161 0.059 -4.353
337 HD3 LYS 35 2HD LYS 35 -23.910 0.022 -4.120
338 HE2 LYS 35 1HE LYS 35 -23.609 0.645 -6.363
339 HE3 LYS 35 2HE LYS 35 -23.977 2.149 -5.518
340 HZ1 LYS 35 3HZ LYS 35 -21.189 1.698 -5.513
341 HZ2 LYS 35 1HZ LYS 35 -22.054 2.991 -6.178
342 HZ3 LYS 35 2HZ LYS 35 -21.769 1.601 -7.099
343 H LYS 36 H LYS 36 -25.294 3.337 0.669
344 HA LYS 36 HA LYS 36 -25.700 1.283 2.639
345 HB2 LYS 36 1HB LYS 36 -25.917 3.974 2.720
346 HB3 LYS 36 2HB LYS 36 -27.605 3.546 2.475
347 HG2 LYS 36 1HG LYS 36 -27.388 1.998 4.443
348 HG3 LYS 36 2HG LYS 36 -25.805 2.722 4.738
349 HD2 LYS 36 1HD LYS 36 -26.955 4.175 6.012
350 HD3 LYS 36 2HD LYS 36 -27.367 4.935 4.473
351 HE2 LYS 36 1HE LYS 36 -29.298 3.107 4.541
352 HE3 LYS 36 2HE LYS 36 -29.021 3.252 6.276
353 HZ1 LYS 36 3HZ LYS 36 -29.702 5.431 6.293
354 HZ2 LYS 36 1HZ LYS 36 -30.724 4.790 5.107
355 HZ3 LYS 36 2HZ LYS 36 -29.361 5.682 4.655
Contact the webmaster for help, if required. Monday, June 3, 2024 11:53:24 AM GMT (wattos1)