Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
27515 | 2rnd RC | 11049 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 H1 MET 1 1HT MET 1 -17.597 -11.993 -2.735
2 H2 MET 1 2HT MET 1 -18.728 -13.234 -2.526
3 H3 MET 1 3HT MET 1 -18.524 -12.524 -4.048
4 HA MET 1 HA MET 1 -16.487 -14.106 -2.595
5 HB2 MET 1 2HB MET 1 -16.851 -15.754 -4.439
6 HB3 MET 1 1HB MET 1 -18.228 -15.568 -3.364
7 HG2 MET 1 2HG MET 1 -19.173 -15.642 -5.479
8 HG3 MET 1 1HG MET 1 -19.130 -13.923 -5.098
9 HE1 MET 1 2HE MET 1 -19.590 -15.036 -8.006
10 HE2 MET 1 3HE MET 1 -18.515 -14.030 -8.978
11 HE3 MET 1 1HE MET 1 -19.476 -13.304 -7.690
12 H ALA 2 H ALA 2 -17.219 -11.792 -4.999
13 HA ALA 2 HA ALA 2 -14.598 -12.175 -6.278
14 HB1 ALA 2 1HB ALA 2 -16.504 -12.220 -7.805
15 HB2 ALA 2 2HB ALA 2 -15.462 -10.831 -8.123
16 HB3 ALA 2 3HB ALA 2 -16.984 -10.612 -7.259
17 H GLU 3 H GLU 3 -13.018 -10.843 -5.715
18 HA GLU 3 HA GLU 3 -13.653 -8.390 -4.268
19 HB2 GLU 3 2HB GLU 3 -11.065 -9.883 -4.704
20 HB3 GLU 3 1HB GLU 3 -11.160 -8.338 -3.869
21 HG2 GLU 3 2HG GLU 3 -11.082 -10.083 -2.245
22 HG3 GLU 3 1HG GLU 3 -12.694 -9.371 -2.226
23 H MET 4 H MET 4 -14.479 -7.823 -6.632
24 HA MET 4 HA MET 4 -12.280 -6.428 -8.011
25 HB2 MET 4 2HB MET 4 -13.350 -8.196 -9.363
26 HB3 MET 4 1HB MET 4 -14.900 -7.391 -9.171
27 HG2 MET 4 2HG MET 4 -14.059 -5.452 -10.374
28 HG3 MET 4 1HG MET 4 -12.485 -6.230 -10.542
29 HE1 MET 4 3HE MET 4 -13.997 -6.281 -14.188
30 HE2 MET 4 1HE MET 4 -12.618 -5.788 -13.203
31 HE3 MET 4 2HE MET 4 -14.191 -5.025 -12.964
32 H GLY 5 H GLY 5 -15.232 -6.105 -6.318
33 HA2 GLY 5 2HA GLY 5 -16.280 -3.740 -7.368
34 HA3 GLY 5 1HA GLY 5 -16.468 -4.271 -5.704
35 H SER 6 H SER 6 -13.700 -4.223 -5.010
36 HA SER 6 HA SER 6 -12.177 -2.807 -4.089
37 HB2 SER 6 2HB SER 6 -12.794 -1.170 -6.561
38 HB3 SER 6 1HB SER 6 -11.418 -0.907 -5.488
39 HG SER 6 HG SER 6 -11.674 -3.491 -6.387
40 H LYS 7 H LYS 7 -13.200 -2.201 -2.223
41 HA LYS 7 HA LYS 7 -14.671 0.352 -2.322
42 HB2 LYS 7 2HB LYS 7 -15.040 -1.874 -0.311
43 HB3 LYS 7 1HB LYS 7 -15.971 -0.386 -0.409
44 HG2 LYS 7 2HG LYS 7 -16.867 -1.068 -2.565
45 HG3 LYS 7 1HG LYS 7 -15.901 -2.543 -2.506
46 HD2 LYS 7 2HD LYS 7 -17.097 -3.287 -0.542
47 HD3 LYS 7 1HD LYS 7 -18.022 -1.784 -0.503
48 HE2 LYS 7 2HE LYS 7 -19.340 -3.582 -1.481
49 HE3 LYS 7 1HE LYS 7 -18.997 -2.335 -2.681
50 HZ1 LYS 7 3HZ LYS 7 -18.691 -4.544 -3.599
51 HZ2 LYS 7 1HZ LYS 7 -17.553 -4.917 -2.403
52 HZ3 LYS 7 2HZ LYS 7 -17.214 -3.721 -3.550
53 H GLY 8 H GLY 8 -11.747 -0.500 -1.810
54 HA2 GLY 8 2HA GLY 8 -11.415 1.258 0.517
55 HA3 GLY 8 1HA GLY 8 -10.648 -0.322 0.547
56 H VAL 9 H VAL 9 -10.703 0.774 -2.590
57 HA VAL 9 HA VAL 9 -7.953 0.991 -2.862
58 HB VAL 9 HB VAL 9 -8.530 2.283 -4.990
59 HG11 VAL 9 1HG1 VAL 9 -9.366 0.272 -6.103
60 HG12 VAL 9 2HG1 VAL 9 -9.773 -0.425 -4.534
61 HG13 VAL 9 3HG1 VAL 9 -8.088 -0.115 -4.951
62 HG21 VAL 9 3HG2 VAL 9 -10.655 3.205 -4.276
63 HG22 VAL 9 1HG2 VAL 9 -11.315 1.580 -4.083
64 HG23 VAL 9 2HG2 VAL 9 -10.883 2.173 -5.687
65 H THR 10 H THR 10 -10.368 3.479 -2.309
66 HA THR 10 HA THR 10 -8.505 5.657 -2.464
67 HB THR 10 HB THR 10 -11.323 5.604 -1.375
68 HG1 THR 10 1HG THR 10 -10.791 5.122 -3.740
69 HG21 THR 10 3HG2 THR 10 -9.548 7.913 -2.174
70 HG22 THR 10 1HG2 THR 10 -10.098 7.527 -0.543
71 HG23 THR 10 2HG2 THR 10 -11.259 8.044 -1.766
72 H ALA 11 H ALA 11 -10.056 3.812 0.105
73 HA ALA 11 HA ALA 11 -9.222 5.397 2.274
74 HB1 ALA 11 1HB ALA 11 -9.721 3.443 3.656
75 HB2 ALA 11 2HB ALA 11 -9.806 2.438 2.209
76 HB3 ALA 11 3HB ALA 11 -10.992 3.718 2.464
77 H GLY 12 H GLY 12 -7.571 3.150 0.270
78 HA2 GLY 12 2HA GLY 12 -5.288 3.148 2.138
79 HA3 GLY 12 1HA GLY 12 -5.550 1.939 0.883
80 H LYS 13 H LYS 13 -6.445 4.436 -0.765
81 HA LYS 13 HA LYS 13 -4.152 4.701 -2.312
82 HB2 LYS 13 2HB LYS 13 -6.742 5.521 -2.545
83 HB3 LYS 13 1HB LYS 13 -5.947 7.051 -2.198
84 HG2 LYS 13 2HG LYS 13 -5.508 5.202 -4.514
85 HG3 LYS 13 1HG LYS 13 -6.004 6.895 -4.526
86 HD2 LYS 13 2HD LYS 13 -3.744 7.410 -3.492
87 HD3 LYS 13 1HD LYS 13 -3.299 5.751 -3.892
88 HE2 LYS 13 2HE LYS 13 -4.192 7.874 -5.840
89 HE3 LYS 13 1HE LYS 13 -2.544 7.287 -5.625
90 HZ1 LYS 13 3HZ LYS 13 -4.852 5.661 -6.548
91 HZ2 LYS 13 1HZ LYS 13 -3.270 5.096 -6.343
92 HZ3 LYS 13 2HZ LYS 13 -3.608 6.255 -7.528
93 H ILE 14 H ILE 14 -5.417 6.559 0.369
94 HA ILE 14 HA ILE 14 -3.599 8.668 0.431
95 HB ILE 14 HB ILE 14 -4.099 8.586 2.951
96 HG12 ILE 14 2HG1 ILE 14 -6.221 6.635 2.064
97 HG13 ILE 14 1HG1 ILE 14 -4.706 6.108 2.783
98 HG21 ILE 14 1HG2 ILE 14 -6.362 9.474 2.611
99 HG22 ILE 14 2HG2 ILE 14 -6.360 8.824 0.972
100 HG23 ILE 14 3HG2 ILE 14 -5.225 10.099 1.417
101 HD11 ILE 14 3HD1 ILE 14 -6.789 7.853 4.070
102 HD12 ILE 14 1HD1 ILE 14 -5.241 7.421 4.794
103 HD13 ILE 14 2HD1 ILE 14 -6.433 6.167 4.448
104 H ALA 15 H ALA 15 -3.460 5.403 1.738
105 HA ALA 15 HA ALA 15 -1.044 5.772 3.199
106 HB1 ALA 15 1HB ALA 15 -1.025 3.347 3.425
107 HB2 ALA 15 2HB ALA 15 -2.299 3.216 2.211
108 HB3 ALA 15 3HB ALA 15 -2.629 4.000 3.758
109 H SER 16 H SER 16 -1.774 4.391 0.019
110 HA SER 16 HA SER 16 0.840 3.647 -0.649
111 HB2 SER 16 2HB SER 16 -1.102 2.917 -1.964
112 HB3 SER 16 1HB SER 16 -1.394 4.579 -2.475
113 HG SER 16 HG SER 16 -0.232 3.734 -4.102
114 H ASN 17 H ASN 17 -0.723 6.693 -0.432
115 HA ASN 17 HA ASN 17 1.092 8.158 -2.101
116 HB2 ASN 17 2HB ASN 17 -0.904 9.065 -0.017
117 HB3 ASN 17 1HB ASN 17 0.036 10.163 -1.021
118 HD21 ASN 17 1HD2 ASN 17 -2.845 9.802 -0.845
119 HD22 ASN 17 2HD2 ASN 17 -3.377 9.405 -2.440
120 H VAL 18 H VAL 18 0.741 7.600 1.383
121 HA VAL 18 HA VAL 18 2.976 9.256 2.064
122 HB VAL 18 HB VAL 18 2.685 8.563 4.310
123 HG11 VAL 18 1HG1 VAL 18 0.890 9.981 3.465
124 HG12 VAL 18 2HG1 VAL 18 0.297 8.878 4.707
125 HG13 VAL 18 3HG1 VAL 18 -0.032 8.549 3.007
126 HG21 VAL 18 3HG2 VAL 18 0.965 6.278 3.355
127 HG22 VAL 18 1HG2 VAL 18 1.398 6.648 5.022
128 HG23 VAL 18 2HG2 VAL 18 2.640 6.126 3.884
129 H GLN 19 H GLN 19 2.491 5.888 1.283
130 HA GLN 19 HA GLN 19 4.996 4.973 2.266
131 HB2 GLN 19 2HB GLN 19 2.890 3.598 1.692
132 HB3 GLN 19 1HB GLN 19 3.482 3.649 0.035
133 HG2 GLN 19 2HG GLN 19 5.674 2.758 1.023
134 HG3 GLN 19 1HG GLN 19 4.698 2.372 2.438
135 HE21 GLN 19 1HE2 GLN 19 3.424 2.251 -0.801
136 HE22 GLN 19 2HE2 GLN 19 3.264 0.533 -0.887
137 H LYS 20 H LYS 20 3.933 6.473 -0.687
138 HA LYS 20 HA LYS 20 6.134 5.734 -2.304
139 HB2 LYS 20 2HB LYS 20 4.391 6.515 -3.585
140 HB3 LYS 20 1HB LYS 20 3.958 7.764 -2.428
141 HG2 LYS 20 2HG LYS 20 6.543 8.078 -3.829
142 HG3 LYS 20 1HG LYS 20 5.073 8.292 -4.782
143 HD2 LYS 20 2HD LYS 20 4.276 9.984 -3.267
144 HD3 LYS 20 1HD LYS 20 5.635 9.700 -2.176
145 HE2 LYS 20 2HE LYS 20 7.190 10.508 -3.835
146 HE3 LYS 20 1HE LYS 20 5.898 10.660 -5.025
147 HZ1 LYS 20 3HZ LYS 20 4.881 12.369 -3.673
148 HZ2 LYS 20 1HZ LYS 20 6.482 12.792 -4.025
149 HZ3 LYS 20 2HZ LYS 20 6.082 12.201 -2.493
150 H LYS 21 H LYS 21 5.609 8.164 0.117
151 HA LYS 21 HA LYS 21 7.850 9.799 -0.500
152 HB2 LYS 21 2HB LYS 21 6.182 9.430 1.992
153 HB3 LYS 21 1HB LYS 21 7.500 10.583 1.890
154 HG2 LYS 21 2HG LYS 21 5.186 10.604 -0.019
155 HG3 LYS 21 1HG LYS 21 5.181 11.492 1.507
156 HD2 LYS 21 2HD LYS 21 7.260 12.645 0.773
157 HD3 LYS 21 1HD LYS 21 7.109 11.836 -0.788
158 HE2 LYS 21 2HE LYS 21 6.216 14.123 -0.840
159 HE3 LYS 21 1HE LYS 21 4.975 12.917 -1.176
160 HZ1 LYS 21 3HZ LYS 21 4.214 13.115 1.108
161 HZ2 LYS 21 1HZ LYS 21 4.176 14.622 0.340
162 HZ3 LYS 21 2HZ LYS 21 5.412 14.263 1.437
163 H LEU 22 H LEU 22 7.354 6.834 1.198
164 HA LEU 22 HA LEU 22 9.750 6.876 2.736
165 HB2 LEU 22 2HB LEU 22 7.642 4.893 2.103
166 HB3 LEU 22 1HB LEU 22 9.197 4.260 2.612
167 HG LEU 22 HG LEU 22 7.486 6.189 4.184
168 HD11 LEU 22 1HD1 LEU 22 7.199 4.289 5.714
169 HD12 LEU 22 2HD1 LEU 22 8.071 3.259 4.578
170 HD13 LEU 22 3HD1 LEU 22 6.524 3.966 4.117
171 HD21 LEU 22 3HD2 LEU 22 9.102 5.871 5.967
172 HD22 LEU 22 1HD2 LEU 22 9.899 6.516 4.530
173 HD23 LEU 22 2HD2 LEU 22 10.059 4.807 4.936
174 H THR 23 H THR 23 8.891 5.796 -0.461
175 HA THR 23 HA THR 23 11.141 4.202 -1.013
176 HB THR 23 HB THR 23 9.560 5.869 -2.980
177 HG1 THR 23 1HG THR 23 8.014 4.452 -2.712
178 HG21 THR 23 3HG2 THR 23 11.229 3.378 -3.357
179 HG22 THR 23 1HG2 THR 23 11.647 5.002 -3.906
180 HG23 THR 23 2HG2 THR 23 10.261 4.163 -4.607
181 H ARG 24 H ARG 24 10.508 7.644 -1.697
182 HA ARG 24 HA ARG 24 12.899 8.278 -2.941
183 HB2 ARG 24 2HB ARG 24 11.149 9.950 -1.139
184 HB3 ARG 24 1HB ARG 24 12.511 10.606 -2.036
185 HG2 ARG 24 2HG ARG 24 10.165 9.214 -3.308
186 HG3 ARG 24 1HG ARG 24 10.307 10.963 -3.118
187 HD2 ARG 24 2HD ARG 24 12.390 10.909 -4.436
188 HD3 ARG 24 1HD ARG 24 12.180 9.173 -4.666
189 HE ARG 24 HE ARG 24 9.856 10.251 -5.587
190 HH11 ARG 24 1HH1 ARG 24 13.231 10.768 -6.285
191 HH12 ARG 24 2HH1 ARG 24 12.955 11.216 -7.935
192 HH21 ARG 24 1HH2 ARG 24 9.482 10.839 -7.760
193 HH22 ARG 24 2HH2 ARG 24 10.824 11.256 -8.773
194 H ALA 25 H ALA 25 12.120 8.094 0.465
195 HA ALA 25 HA ALA 25 14.712 8.962 1.349
196 HB1 ALA 25 1HB ALA 25 12.526 7.555 2.885
197 HB2 ALA 25 2HB ALA 25 12.713 9.303 2.731
198 HB3 ALA 25 3HB ALA 25 13.935 8.356 3.580
199 H GLN 26 H GLN 26 13.104 5.953 0.682
200 HA GLN 26 HA GLN 26 14.893 4.174 1.907
201 HB2 GLN 26 2HB GLN 26 12.865 3.215 1.321
202 HB3 GLN 26 1HB GLN 26 12.835 3.983 -0.259
203 HG2 GLN 26 2HG GLN 26 14.645 2.465 -0.978
204 HG3 GLN 26 1HG GLN 26 14.545 1.656 0.584
205 HE21 GLN 26 1HE2 GLN 26 12.744 0.394 1.061
206 HE22 GLN 26 2HE2 GLN 26 11.660 -0.160 -0.165
207 H GLU 27 H GLU 27 14.956 5.851 -1.162
208 HA GLU 27 HA GLU 27 17.045 4.299 -2.320
209 HB2 GLU 27 2HB GLU 27 15.336 6.397 -3.138
210 HB3 GLU 27 1HB GLU 27 16.983 6.970 -3.366
211 HG2 GLU 27 2HG GLU 27 15.837 4.419 -4.473
212 HG3 GLU 27 1HG GLU 27 16.108 5.910 -5.373
213 H LYS 28 H LYS 28 16.912 7.200 -0.369
214 HA LYS 28 HA LYS 28 19.604 7.983 -0.672
215 HB2 LYS 28 2HB LYS 28 17.454 8.532 1.346
216 HB3 LYS 28 1HB LYS 28 19.069 9.188 1.542
217 HG2 LYS 28 2HG LYS 28 17.240 9.673 -0.802
218 HG3 LYS 28 1HG LYS 28 17.552 10.801 0.518
219 HD2 LYS 28 2HD LYS 28 19.660 9.746 -1.367
220 HD3 LYS 28 1HD LYS 28 18.843 11.298 -1.548
221 HE2 LYS 28 2HE LYS 28 19.703 11.991 0.645
222 HE3 LYS 28 1HE LYS 28 20.543 10.449 0.794
223 HZ1 LYS 28 3HZ LYS 28 21.035 12.493 -1.305
224 HZ2 LYS 28 1HZ LYS 28 21.839 11.009 -1.170
225 HZ3 LYS 28 2HZ LYS 28 22.028 12.187 0.030
226 H VAL 29 H VAL 29 17.927 6.235 1.934
227 HA VAL 29 HA VAL 29 20.191 5.763 3.517
228 HB VAL 29 HB VAL 29 18.825 3.969 4.559
229 HG11 VAL 29 1HG1 VAL 29 18.632 6.158 5.461
230 HG12 VAL 29 2HG1 VAL 29 16.992 5.524 5.318
231 HG13 VAL 29 3HG1 VAL 29 17.598 6.682 4.132
232 HG21 VAL 29 3HG2 VAL 29 16.715 4.784 2.574
233 HG22 VAL 29 1HG2 VAL 29 16.561 3.581 3.853
234 HG23 VAL 29 2HG2 VAL 29 17.643 3.288 2.490
235 H LEU 30 H LEU 30 18.720 3.882 0.933
236 HA LEU 30 HA LEU 30 20.108 1.498 1.203
237 HB2 LEU 30 2HB LEU 30 18.510 2.782 -0.799
238 HB3 LEU 30 1HB LEU 30 19.889 2.013 -1.559
239 HG LEU 30 HG LEU 30 17.967 0.521 -1.546
240 HD11 LEU 30 1HD1 LEU 30 20.193 -0.461 -1.388
241 HD12 LEU 30 2HD1 LEU 30 19.004 -1.429 -0.518
242 HD13 LEU 30 3HD1 LEU 30 20.110 -0.383 0.372
243 HD21 LEU 30 3HD2 LEU 30 16.799 1.373 0.396
244 HD22 LEU 30 1HD2 LEU 30 18.087 0.796 1.454
245 HD23 LEU 30 2HD2 LEU 30 17.085 -0.358 0.575
246 H GLN 31 H GLN 31 21.234 4.567 0.005
247 HA GLN 31 HA GLN 31 23.582 3.408 -1.230
248 HB2 GLN 31 2HB GLN 31 22.847 6.306 -0.850
249 HB3 GLN 31 1HB GLN 31 24.157 5.696 -1.852
250 HG2 GLN 31 2HG GLN 31 22.464 4.480 -3.209
251 HG3 GLN 31 1HG GLN 31 21.210 5.282 -2.268
252 HE21 GLN 31 1HE2 GLN 31 20.368 6.339 -4.047
253 HE22 GLN 31 2HE2 GLN 31 21.179 7.659 -4.812
254 H LYS 32 H LYS 32 22.776 4.899 1.789
255 HA LYS 32 HA LYS 32 25.590 5.274 2.458
256 HB2 LYS 32 2HB LYS 32 24.687 6.227 4.599
257 HB3 LYS 32 1HB LYS 32 24.215 7.087 3.141
258 HG2 LYS 32 2HG LYS 32 22.169 7.006 4.033
259 HG3 LYS 32 1HG LYS 32 22.152 5.358 3.406
260 HD2 LYS 32 2HD LYS 32 21.450 5.232 5.668
261 HD3 LYS 32 1HD LYS 32 23.107 4.626 5.619
262 HE2 LYS 32 2HE LYS 32 23.938 6.760 6.417
263 HE3 LYS 32 1HE LYS 32 22.310 7.434 6.384
264 HZ1 LYS 32 3HZ LYS 32 23.224 5.195 8.108
265 HZ2 LYS 32 1HZ LYS 32 21.656 5.827 8.070
266 HZ3 LYS 32 2HZ LYS 32 22.939 6.782 8.616
267 H LEU 33 H LEU 33 22.824 3.336 3.501
268 HA LEU 33 HA LEU 33 24.176 2.008 5.608
269 HB2 LEU 33 2HB LEU 33 21.737 1.248 4.001
270 HB3 LEU 33 1HB LEU 33 22.315 0.325 5.374
271 HG LEU 33 HG LEU 33 21.374 3.193 5.473
272 HD11 LEU 33 1HD1 LEU 33 20.057 0.655 6.426
273 HD12 LEU 33 2HD1 LEU 33 19.547 1.641 5.056
274 HD13 LEU 33 3HD1 LEU 33 19.458 2.293 6.692
275 HD21 LEU 33 3HD2 LEU 33 23.075 2.757 7.144
276 HD22 LEU 33 1HD2 LEU 33 22.225 1.303 7.664
277 HD23 LEU 33 2HD2 LEU 33 21.492 2.889 7.910
278 H TYR 34 H TYR 34 23.472 1.107 2.250
279 HA TYR 34 HA TYR 34 25.353 -1.136 2.493
280 HB2 TYR 34 2HB TYR 34 23.198 -0.557 0.455
281 HB3 TYR 34 1HB TYR 34 24.330 -1.899 0.329
282 HD1 TYR 34 2HD TYR 34 21.477 -0.538 2.212
283 HD2 TYR 34 1HD TYR 34 24.087 -3.860 1.700
284 HE1 TYR 34 2HE TYR 34 19.978 -1.921 3.585
285 HE2 TYR 34 1HE TYR 34 22.593 -5.251 3.072
286 HH TYR 34 HH TYR 34 20.874 -4.943 4.816
Start of MODEL 2
1 H1 MET 1 1HT MET 1 -12.458 -15.665 3.351
2 H2 MET 1 2HT MET 1 -12.553 -15.484 1.672
3 H3 MET 1 3HT MET 1 -12.674 -17.022 2.363
4 HA MET 1 HA MET 1 -14.834 -16.227 1.676
5 HB2 MET 1 2HB MET 1 -14.473 -16.300 4.678
6 HB3 MET 1 1HB MET 1 -15.997 -16.525 3.831
7 HG2 MET 1 2HG MET 1 -15.115 -18.534 2.767
8 HG3 MET 1 1HG MET 1 -13.582 -18.306 3.607
9 HE1 MET 1 2HE MET 1 -15.156 -21.438 5.388
10 HE2 MET 1 3HE MET 1 -13.743 -20.812 4.538
11 HE3 MET 1 1HE MET 1 -15.272 -21.010 3.682
12 H ALA 2 H ALA 2 -13.158 -14.076 3.900
13 HA ALA 2 HA ALA 2 -15.067 -11.950 3.174
14 HB1 ALA 2 1HB ALA 2 -14.692 -10.941 5.362
15 HB2 ALA 2 2HB ALA 2 -13.594 -12.253 5.790
16 HB3 ALA 2 3HB ALA 2 -15.305 -12.586 5.525
17 H GLU 3 H GLU 3 -12.935 -12.400 1.538
18 HA GLU 3 HA GLU 3 -11.171 -10.126 2.156
19 HB2 GLU 3 2HB GLU 3 -9.401 -11.360 0.829
20 HB3 GLU 3 1HB GLU 3 -9.788 -12.032 2.408
21 HG2 GLU 3 2HG GLU 3 -11.189 -13.725 1.354
22 HG3 GLU 3 1HG GLU 3 -10.822 -13.045 -0.231
23 H MET 4 H MET 4 -12.881 -8.978 0.947
24 HA MET 4 HA MET 4 -13.446 -9.451 -1.757
25 HB2 MET 4 2HB MET 4 -14.810 -7.977 -0.373
26 HB3 MET 4 1HB MET 4 -13.469 -6.854 -0.209
27 HG2 MET 4 2HG MET 4 -15.083 -6.043 -1.817
28 HG3 MET 4 1HG MET 4 -13.546 -6.400 -2.601
29 HE1 MET 4 3HE MET 4 -16.068 -7.289 -5.429
30 HE2 MET 4 1HE MET 4 -14.690 -6.304 -4.944
31 HE3 MET 4 2HE MET 4 -16.282 -5.995 -4.252
32 H GLY 5 H GLY 5 -12.689 -8.409 -3.661
33 HA2 GLY 5 2HA GLY 5 -9.960 -8.345 -4.039
34 HA3 GLY 5 1HA GLY 5 -11.111 -7.513 -5.073
35 H SER 6 H SER 6 -11.876 -5.355 -4.223
36 HA SER 6 HA SER 6 -9.568 -3.771 -3.588
37 HB2 SER 6 2HB SER 6 -12.475 -2.975 -3.894
38 HB3 SER 6 1HB SER 6 -11.120 -1.853 -3.761
39 HG SER 6 HG SER 6 -12.063 -2.922 -5.947
40 H LYS 7 H LYS 7 -9.026 -4.588 -1.509
41 HA LYS 7 HA LYS 7 -10.875 -3.843 0.648
42 HB2 LYS 7 2HB LYS 7 -9.431 -5.313 2.072
43 HB3 LYS 7 1HB LYS 7 -10.270 -6.153 0.775
44 HG2 LYS 7 2HG LYS 7 -8.210 -6.111 -0.563
45 HG3 LYS 7 1HG LYS 7 -7.378 -5.313 0.774
46 HD2 LYS 7 2HD LYS 7 -7.701 -7.217 2.192
47 HD3 LYS 7 1HD LYS 7 -8.721 -8.002 0.984
48 HE2 LYS 7 2HE LYS 7 -6.807 -8.116 -0.544
49 HE3 LYS 7 1HE LYS 7 -5.794 -7.341 0.673
50 HZ1 LYS 7 3HZ LYS 7 -5.512 -9.748 0.655
51 HZ2 LYS 7 1HZ LYS 7 -7.156 -9.961 0.993
52 HZ3 LYS 7 2HZ LYS 7 -6.148 -9.224 2.133
53 H GLY 8 H GLY 8 -8.989 -2.077 -0.891
54 HA2 GLY 8 2HA GLY 8 -8.295 -0.273 1.040
55 HA3 GLY 8 1HA GLY 8 -6.911 -1.351 0.954
56 H VAL 9 H VAL 9 -8.861 -0.603 -1.848
57 HA VAL 9 HA VAL 9 -6.558 0.370 -3.251
58 HB VAL 9 HB VAL 9 -9.452 0.369 -4.122
59 HG11 VAL 9 1HG1 VAL 9 -8.097 1.927 -5.409
60 HG12 VAL 9 2HG1 VAL 9 -8.537 0.531 -6.391
61 HG13 VAL 9 3HG1 VAL 9 -6.912 0.660 -5.721
62 HG21 VAL 9 3HG2 VAL 9 -7.260 -1.643 -4.622
63 HG22 VAL 9 1HG2 VAL 9 -8.865 -1.676 -5.352
64 HG23 VAL 9 2HG2 VAL 9 -8.685 -1.880 -3.610
65 H THR 10 H THR 10 -9.400 1.790 -1.775
66 HA THR 10 HA THR 10 -8.532 4.469 -2.597
67 HB THR 10 HB THR 10 -11.160 3.623 -1.362
68 HG1 THR 10 1HG THR 10 -10.849 2.887 -3.538
69 HG21 THR 10 3HG2 THR 10 -10.277 6.259 -2.542
70 HG22 THR 10 1HG2 THR 10 -10.613 5.936 -0.841
71 HG23 THR 10 2HG2 THR 10 -11.918 5.873 -2.026
72 H ALA 11 H ALA 11 -9.481 2.579 0.233
73 HA ALA 11 HA ALA 11 -8.998 4.638 2.129
74 HB1 ALA 11 1HB ALA 11 -10.480 2.742 2.598
75 HB2 ALA 11 2HB ALA 11 -9.200 2.879 3.804
76 HB3 ALA 11 3HB ALA 11 -9.096 1.652 2.541
77 H GLY 12 H GLY 12 -7.008 2.408 0.445
78 HA2 GLY 12 2HA GLY 12 -4.764 2.986 2.262
79 HA3 GLY 12 1HA GLY 12 -4.817 1.645 1.120
80 H LYS 13 H LYS 13 -6.126 3.931 -0.643
81 HA LYS 13 HA LYS 13 -3.935 4.383 -2.301
82 HB2 LYS 13 2HB LYS 13 -6.620 4.837 -2.476
83 HB3 LYS 13 1HB LYS 13 -6.024 6.478 -2.251
84 HG2 LYS 13 2HG LYS 13 -5.403 4.559 -4.469
85 HG3 LYS 13 1HG LYS 13 -6.141 6.159 -4.568
86 HD2 LYS 13 2HD LYS 13 -3.955 7.066 -3.661
87 HD3 LYS 13 1HD LYS 13 -3.281 5.463 -3.954
88 HE2 LYS 13 2HE LYS 13 -4.529 7.269 -6.024
89 HE3 LYS 13 1HE LYS 13 -2.804 6.967 -5.817
90 HZ1 LYS 13 3HZ LYS 13 -4.843 4.931 -6.546
91 HZ2 LYS 13 1HZ LYS 13 -3.189 4.638 -6.344
92 HZ3 LYS 13 2HZ LYS 13 -3.724 5.632 -7.604
93 H ILE 14 H ILE 14 -5.395 6.276 0.266
94 HA ILE 14 HA ILE 14 -3.860 8.583 0.157
95 HB ILE 14 HB ILE 14 -4.280 8.599 2.691
96 HG12 ILE 14 2HG1 ILE 14 -6.121 6.312 1.988
97 HG13 ILE 14 1HG1 ILE 14 -4.541 6.065 2.718
98 HG21 ILE 14 1HG2 ILE 14 -5.645 9.839 1.100
99 HG22 ILE 14 2HG2 ILE 14 -6.649 9.156 2.380
100 HG23 ILE 14 3HG2 ILE 14 -6.610 8.397 0.787
101 HD11 ILE 14 3HD1 ILE 14 -5.263 7.453 4.631
102 HD12 ILE 14 1HD1 ILE 14 -6.220 5.987 4.413
103 HD13 ILE 14 2HD1 ILE 14 -6.869 7.548 3.907
104 H ALA 15 H ALA 15 -3.273 5.463 1.674
105 HA ALA 15 HA ALA 15 -0.879 6.235 3.010
106 HB1 ALA 15 1HB ALA 15 -2.210 4.334 3.758
107 HB2 ALA 15 2HB ALA 15 -0.554 3.849 3.399
108 HB3 ALA 15 3HB ALA 15 -1.847 3.483 2.257
109 H SER 16 H SER 16 -1.561 4.631 -0.063
110 HA SER 16 HA SER 16 1.103 4.111 -0.781
111 HB2 SER 16 2HB SER 16 -1.285 4.671 -2.563
112 HB3 SER 16 1HB SER 16 0.242 3.971 -3.101
113 HG SER 16 HG SER 16 -1.408 2.829 -1.097
114 H ASN 17 H ASN 17 -0.780 6.974 -0.675
115 HA ASN 17 HA ASN 17 0.801 8.515 -2.506
116 HB2 ASN 17 2HB ASN 17 -1.309 9.222 -0.477
117 HB3 ASN 17 1HB ASN 17 -0.418 10.463 -1.351
118 HD21 ASN 17 1HD2 ASN 17 -2.265 11.202 -2.382
119 HD22 ASN 17 2HD2 ASN 17 -3.028 10.316 -3.653
120 H VAL 18 H VAL 18 0.615 8.175 1.017
121 HA VAL 18 HA VAL 18 2.701 10.084 1.503
122 HB VAL 18 HB VAL 18 2.501 9.579 3.795
123 HG11 VAL 18 1HG1 VAL 18 -0.245 9.014 2.698
124 HG12 VAL 18 2HG1 VAL 18 0.491 10.617 2.743
125 HG13 VAL 18 3HG1 VAL 18 0.162 9.754 4.247
126 HG21 VAL 18 3HG2 VAL 18 1.446 7.581 4.697
127 HG22 VAL 18 1HG2 VAL 18 2.779 7.144 3.630
128 HG23 VAL 18 2HG2 VAL 18 1.115 7.000 3.067
129 H GLN 19 H GLN 19 2.517 6.652 0.949
130 HA GLN 19 HA GLN 19 5.070 5.974 1.985
131 HB2 GLN 19 2HB GLN 19 3.113 4.410 1.413
132 HB3 GLN 19 1HB GLN 19 3.695 4.498 -0.245
133 HG2 GLN 19 2HG GLN 19 5.985 3.873 0.919
134 HG3 GLN 19 1HG GLN 19 4.888 3.202 2.129
135 HE21 GLN 19 1HE2 GLN 19 3.525 1.496 1.567
136 HE22 GLN 19 2HE2 GLN 19 3.807 0.523 0.167
137 H LYS 20 H LYS 20 3.938 7.225 -1.068
138 HA LYS 20 HA LYS 20 6.228 6.641 -2.608
139 HB2 LYS 20 2HB LYS 20 4.454 7.213 -3.950
140 HB3 LYS 20 1HB LYS 20 3.880 8.455 -2.849
141 HG2 LYS 20 2HG LYS 20 6.452 8.950 -4.231
142 HG3 LYS 20 1HG LYS 20 4.975 9.018 -5.196
143 HD2 LYS 20 2HD LYS 20 4.040 10.691 -3.746
144 HD3 LYS 20 1HD LYS 20 5.389 10.532 -2.621
145 HE2 LYS 20 2HE LYS 20 5.537 11.542 -5.462
146 HE3 LYS 20 1HE LYS 20 5.644 12.523 -4.001
147 HZ1 LYS 20 3HZ LYS 20 7.563 10.406 -4.812
148 HZ2 LYS 20 1HZ LYS 20 7.664 11.331 -3.399
149 HZ3 LYS 20 2HZ LYS 20 7.830 12.074 -4.910
150 H LYS 21 H LYS 21 5.349 9.307 -0.496
151 HA LYS 21 HA LYS 21 7.595 10.935 -1.138
152 HB2 LYS 21 2HB LYS 21 6.626 12.450 0.232
153 HB3 LYS 21 1HB LYS 21 5.255 11.358 0.190
154 HG2 LYS 21 2HG LYS 21 6.002 10.322 2.269
155 HG3 LYS 21 1HG LYS 21 7.397 11.401 2.307
156 HD2 LYS 21 2HD LYS 21 4.519 12.309 2.344
157 HD3 LYS 21 1HD LYS 21 5.538 12.141 3.775
158 HE2 LYS 21 2HE LYS 21 5.999 13.992 1.439
159 HE3 LYS 21 1HE LYS 21 5.485 14.454 3.061
160 HZ1 LYS 21 3HZ LYS 21 7.847 14.839 2.737
161 HZ2 LYS 21 1HZ LYS 21 8.090 13.207 2.362
162 HZ3 LYS 21 2HZ LYS 21 7.598 13.654 3.918
163 H LEU 22 H LEU 22 7.162 8.127 0.725
164 HA LEU 22 HA LEU 22 9.413 8.596 2.480
165 HB2 LEU 22 2HB LEU 22 7.450 6.366 2.120
166 HB3 LEU 22 1HB LEU 22 8.903 6.125 3.066
167 HG LEU 22 HG LEU 22 6.787 8.203 3.629
168 HD11 LEU 22 1HD1 LEU 22 7.402 5.564 4.946
169 HD12 LEU 22 2HD1 LEU 22 5.929 6.004 4.079
170 HD13 LEU 22 3HD1 LEU 22 6.321 6.789 5.610
171 HD21 LEU 22 3HD2 LEU 22 9.066 8.864 4.312
172 HD22 LEU 22 1HD2 LEU 22 9.188 7.382 5.260
173 HD23 LEU 22 2HD2 LEU 22 7.991 8.605 5.688
174 H THR 23 H THR 23 8.632 6.646 -0.345
175 HA THR 23 HA THR 23 10.812 4.980 -0.507
176 HB THR 23 HB THR 23 9.584 6.404 -2.869
177 HG1 THR 23 1HG THR 23 7.868 5.165 -2.613
178 HG21 THR 23 3HG2 THR 23 10.897 3.694 -2.616
179 HG22 THR 23 1HG2 THR 23 11.600 5.116 -3.387
180 HG23 THR 23 2HG2 THR 23 10.169 4.355 -4.081
181 H ARG 24 H ARG 24 10.551 8.337 -1.655
182 HA ARG 24 HA ARG 24 13.011 8.596 -2.885
183 HB2 ARG 24 2HB ARG 24 11.568 10.673 -1.229
184 HB3 ARG 24 1HB ARG 24 12.848 11.004 -2.387
185 HG2 ARG 24 2HG ARG 24 10.172 9.794 -3.053
186 HG3 ARG 24 1HG ARG 24 10.620 11.485 -3.285
187 HD2 ARG 24 2HD ARG 24 12.007 9.135 -4.570
188 HD3 ARG 24 1HD ARG 24 10.790 10.139 -5.354
189 HE ARG 24 HE ARG 24 12.790 11.833 -4.429
190 HH11 ARG 24 1HH1 ARG 24 12.427 9.245 -6.735
191 HH12 ARG 24 2HH1 ARG 24 13.664 9.841 -7.791
192 HH21 ARG 24 1HH2 ARG 24 14.416 12.627 -5.816
193 HH22 ARG 24 2HH2 ARG 24 14.793 11.764 -7.269
194 H ALA 25 H ALA 25 12.156 8.812 0.493
195 HA ALA 25 HA ALA 25 14.808 9.494 1.378
196 HB1 ALA 25 1HB ALA 25 13.913 9.187 3.632
197 HB2 ALA 25 2HB ALA 25 12.435 8.499 2.959
198 HB3 ALA 25 3HB ALA 25 12.838 10.189 2.656
199 H GLN 26 H GLN 26 12.898 6.614 0.963
200 HA GLN 26 HA GLN 26 14.479 4.806 2.423
201 HB2 GLN 26 2HB GLN 26 12.337 4.044 1.937
202 HB3 GLN 26 1HB GLN 26 12.411 4.578 0.263
203 HG2 GLN 26 2HG GLN 26 14.033 2.773 -0.191
204 HG3 GLN 26 1HG GLN 26 13.825 2.211 1.465
205 HE21 GLN 26 1HE2 GLN 26 12.382 2.484 -1.676
206 HE22 GLN 26 2HE2 GLN 26 11.059 1.411 -1.390
207 H GLU 27 H GLU 27 14.750 6.136 -0.792
208 HA GLU 27 HA GLU 27 16.623 4.209 -1.760
209 HB2 GLU 27 2HB GLU 27 15.182 6.417 -2.816
210 HB3 GLU 27 1HB GLU 27 16.888 6.704 -3.126
211 HG2 GLU 27 2HG GLU 27 17.041 4.474 -4.168
212 HG3 GLU 27 1HG GLU 27 15.306 4.273 -3.924
213 H LYS 28 H LYS 28 16.825 7.312 -0.154
214 HA LYS 28 HA LYS 28 19.525 7.880 -0.533
215 HB2 LYS 28 2HB LYS 28 17.561 8.543 1.646
216 HB3 LYS 28 1HB LYS 28 19.206 9.145 1.668
217 HG2 LYS 28 2HG LYS 28 17.259 9.621 -0.572
218 HG3 LYS 28 1HG LYS 28 17.552 10.747 0.752
219 HD2 LYS 28 2HD LYS 28 19.820 9.753 -0.934
220 HD3 LYS 28 1HD LYS 28 18.802 11.079 -1.493
221 HE2 LYS 28 2HE LYS 28 20.714 12.009 -0.390
222 HE3 LYS 28 1HE LYS 28 19.299 12.280 0.626
223 HZ1 LYS 28 3HZ LYS 28 19.958 10.471 2.032
224 HZ2 LYS 28 1HZ LYS 28 21.269 11.528 1.869
225 HZ3 LYS 28 2HZ LYS 28 21.246 10.071 1.012
226 H VAL 29 H VAL 29 17.902 6.130 2.096
227 HA VAL 29 HA VAL 29 20.294 5.551 3.514
228 HB VAL 29 HB VAL 29 18.881 3.991 4.813
229 HG11 VAL 29 1HG1 VAL 29 17.722 6.731 4.335
230 HG12 VAL 29 2HG1 VAL 29 19.008 6.315 5.470
231 HG13 VAL 29 3HG1 VAL 29 17.370 5.712 5.732
232 HG21 VAL 29 3HG2 VAL 29 16.644 4.876 2.999
233 HG22 VAL 29 1HG2 VAL 29 16.526 3.777 4.373
234 HG23 VAL 29 2HG2 VAL 29 17.419 3.294 2.931
235 H LEU 30 H LEU 30 18.269 3.708 1.288
236 HA LEU 30 HA LEU 30 19.419 1.213 1.511
237 HB2 LEU 30 2HB LEU 30 17.919 2.663 -0.564
238 HB3 LEU 30 1HB LEU 30 18.799 1.249 -1.104
239 HG LEU 30 HG LEU 30 16.749 1.262 1.115
240 HD11 LEU 30 1HD1 LEU 30 15.301 0.112 -0.476
241 HD12 LEU 30 2HD1 LEU 30 16.524 0.293 -1.732
242 HD13 LEU 30 3HD1 LEU 30 15.735 1.719 -1.059
243 HD21 LEU 30 3HD2 LEU 30 18.175 -1.004 -0.277
244 HD22 LEU 30 1HD2 LEU 30 16.882 -1.178 0.911
245 HD23 LEU 30 2HD2 LEU 30 18.429 -0.478 1.386
246 H GLN 31 H GLN 31 20.688 4.034 -0.108
247 HA GLN 31 HA GLN 31 22.674 2.502 -1.545
248 HB2 GLN 31 2HB GLN 31 22.263 5.480 -1.311
249 HB3 GLN 31 1HB GLN 31 23.456 4.711 -2.350
250 HG2 GLN 31 2HG GLN 31 21.607 3.545 -3.517
251 HG3 GLN 31 1HG GLN 31 20.465 4.467 -2.546
252 HE21 GLN 31 1HE2 GLN 31 19.572 5.440 -4.365
253 HE22 GLN 31 2HE2 GLN 31 20.396 6.674 -5.246
254 H LYS 32 H LYS 32 22.466 4.202 1.445
255 HA LYS 32 HA LYS 32 25.382 4.154 1.736
256 HB2 LYS 32 2HB LYS 32 24.950 5.546 3.777
257 HB3 LYS 32 1HB LYS 32 24.479 6.286 2.254
258 HG2 LYS 32 2HG LYS 32 22.685 6.796 3.581
259 HG3 LYS 32 1HG LYS 32 22.136 5.307 2.813
260 HD2 LYS 32 2HD LYS 32 21.620 5.198 5.156
261 HD3 LYS 32 1HD LYS 32 22.921 4.056 4.819
262 HE2 LYS 32 2HE LYS 32 23.344 5.294 6.879
263 HE3 LYS 32 1HE LYS 32 24.558 5.662 5.655
264 HZ1 LYS 32 3HZ LYS 32 23.820 7.660 6.779
265 HZ2 LYS 32 1HZ LYS 32 22.215 7.355 6.338
266 HZ3 LYS 32 2HZ LYS 32 23.366 7.708 5.150
267 H LEU 33 H LEU 33 22.700 2.319 2.536
268 HA LEU 33 HA LEU 33 23.943 1.226 4.956
269 HB2 LEU 33 2HB LEU 33 21.332 1.866 4.411
270 HB3 LEU 33 1HB LEU 33 21.353 0.142 4.107
271 HG LEU 33 HG LEU 33 20.659 0.559 6.383
272 HD11 LEU 33 1HD1 LEU 33 22.338 -0.775 7.581
273 HD12 LEU 33 2HD1 LEU 33 23.457 -0.547 6.236
274 HD13 LEU 33 3HD1 LEU 33 21.958 -1.445 5.994
275 HD21 LEU 33 3HD2 LEU 33 21.708 2.740 6.694
276 HD22 LEU 33 1HD2 LEU 33 23.299 1.977 6.719
277 HD23 LEU 33 2HD2 LEU 33 22.137 1.636 8.001
278 H TYR 34 H TYR 34 22.956 0.451 1.702
279 HA TYR 34 HA TYR 34 24.088 -2.252 2.013
280 HB2 TYR 34 2HB TYR 34 21.983 -1.208 0.117
281 HB3 TYR 34 1HB TYR 34 22.751 -2.780 -0.071
282 HD1 TYR 34 2HD TYR 34 20.718 -0.750 2.290
283 HD2 TYR 34 1HD TYR 34 21.946 -4.646 1.096
284 HE1 TYR 34 2HE TYR 34 19.071 -1.733 3.828
285 HE2 TYR 34 1HE TYR 34 20.300 -5.639 2.630
286 HH TYR 34 HH TYR 34 19.071 -5.023 4.666
Start of MODEL 3
1 H1 MET 1 1HT MET 1 -12.357 -10.730 3.681
2 H2 MET 1 2HT MET 1 -11.941 -9.777 5.015
3 H3 MET 1 3HT MET 1 -11.981 -11.461 5.161
4 HA MET 1 HA MET 1 -10.104 -9.892 3.492
5 HB2 MET 1 2HB MET 1 -9.738 -11.439 6.063
6 HB3 MET 1 1HB MET 1 -8.403 -10.873 5.067
7 HG2 MET 1 2HG MET 1 -10.472 -9.139 6.396
8 HG3 MET 1 1HG MET 1 -8.815 -9.386 6.943
9 HE1 MET 1 2HE MET 1 -8.360 -6.790 7.015
10 HE2 MET 1 3HE MET 1 -10.027 -6.496 6.519
11 HE3 MET 1 1HE MET 1 -8.702 -5.697 5.674
12 H ALA 2 H ALA 2 -11.982 -12.367 3.123
13 HA ALA 2 HA ALA 2 -9.899 -14.237 2.213
14 HB1 ALA 2 1HB ALA 2 -11.629 -15.962 2.244
15 HB2 ALA 2 2HB ALA 2 -12.817 -14.766 2.764
16 HB3 ALA 2 3HB ALA 2 -11.469 -15.187 3.820
17 H GLU 3 H GLU 3 -11.740 -11.816 1.040
18 HA GLU 3 HA GLU 3 -12.308 -13.132 -1.523
19 HB2 GLU 3 2HB GLU 3 -14.172 -11.905 -0.500
20 HB3 GLU 3 1HB GLU 3 -13.203 -10.439 -0.476
21 HG2 GLU 3 2HG GLU 3 -13.120 -10.447 -2.914
22 HG3 GLU 3 1HG GLU 3 -14.082 -11.924 -2.944
23 H MET 4 H MET 4 -11.325 -12.531 -3.394
24 HA MET 4 HA MET 4 -9.030 -10.732 -3.127
25 HB2 MET 4 2HB MET 4 -8.544 -12.955 -3.992
26 HB3 MET 4 1HB MET 4 -9.734 -12.746 -5.269
27 HG2 MET 4 2HG MET 4 -7.450 -12.453 -6.082
28 HG3 MET 4 1HG MET 4 -8.412 -10.987 -6.265
29 HE1 MET 4 3HE MET 4 -4.853 -9.533 -5.573
30 HE2 MET 4 1HE MET 4 -6.281 -9.437 -6.602
31 HE3 MET 4 2HE MET 4 -5.316 -10.912 -6.571
32 H GLY 5 H GLY 5 -9.655 -8.681 -3.475
33 HA2 GLY 5 2HA GLY 5 -10.545 -7.971 -6.134
34 HA3 GLY 5 1HA GLY 5 -11.713 -7.625 -4.867
35 H SER 6 H SER 6 -11.507 -5.795 -3.711
36 HA SER 6 HA SER 6 -9.198 -4.094 -4.328
37 HB2 SER 6 2HB SER 6 -10.632 -2.241 -3.450
38 HB3 SER 6 1HB SER 6 -11.324 -3.063 -4.849
39 HG SER 6 HG SER 6 -12.984 -3.047 -3.488
40 H LYS 7 H LYS 7 -7.783 -5.143 -2.850
41 HA LYS 7 HA LYS 7 -8.439 -5.160 -0.038
42 HB2 LYS 7 2HB LYS 7 -5.857 -5.815 -1.466
43 HB3 LYS 7 1HB LYS 7 -6.161 -6.071 0.247
44 HG2 LYS 7 2HG LYS 7 -8.034 -7.579 -0.382
45 HG3 LYS 7 1HG LYS 7 -7.535 -7.416 -2.063
46 HD2 LYS 7 2HD LYS 7 -6.553 -9.402 -1.324
47 HD3 LYS 7 1HD LYS 7 -5.249 -8.217 -1.286
48 HE2 LYS 7 2HE LYS 7 -6.913 -8.907 1.124
49 HE3 LYS 7 1HE LYS 7 -5.430 -9.765 0.713
50 HZ1 LYS 7 3HZ LYS 7 -4.863 -8.095 2.259
51 HZ2 LYS 7 1HZ LYS 7 -5.724 -6.903 1.423
52 HZ3 LYS 7 2HZ LYS 7 -4.307 -7.545 0.760
53 H GLY 8 H GLY 8 -8.784 -2.954 0.351
54 HA2 GLY 8 2HA GLY 8 -8.179 -0.856 1.067
55 HA3 GLY 8 1HA GLY 8 -6.604 -1.556 1.408
56 H VAL 9 H VAL 9 -8.192 -1.252 -1.733
57 HA VAL 9 HA VAL 9 -5.850 -0.179 -2.940
58 HB VAL 9 HB VAL 9 -8.668 -0.275 -4.026
59 HG11 VAL 9 1HG1 VAL 9 -7.278 1.307 -5.240
60 HG12 VAL 9 2HG1 VAL 9 -7.591 -0.121 -6.226
61 HG13 VAL 9 3HG1 VAL 9 -6.026 0.081 -5.438
62 HG21 VAL 9 3HG2 VAL 9 -6.384 -2.218 -4.360
63 HG22 VAL 9 1HG2 VAL 9 -7.954 -2.323 -5.155
64 HG23 VAL 9 2HG2 VAL 9 -7.841 -2.486 -3.403
65 H THR 10 H THR 10 -8.801 1.210 -1.656
66 HA THR 10 HA THR 10 -7.950 3.883 -2.518
67 HB THR 10 HB THR 10 -10.601 3.083 -1.304
68 HG1 THR 10 1HG THR 10 -10.665 2.146 -3.264
69 HG21 THR 10 3HG2 THR 10 -11.370 5.238 -2.174
70 HG22 THR 10 1HG2 THR 10 -9.749 5.582 -2.774
71 HG23 THR 10 2HG2 THR 10 -10.037 5.454 -1.039
72 H ALA 11 H ALA 11 -8.910 2.041 0.341
73 HA ALA 11 HA ALA 11 -8.579 4.178 2.186
74 HB1 ALA 11 1HB ALA 11 -9.984 2.242 2.690
75 HB2 ALA 11 2HB ALA 11 -8.728 2.452 3.910
76 HB3 ALA 11 3HB ALA 11 -8.559 1.202 2.678
77 H GLY 12 H GLY 12 -6.435 1.995 0.634
78 HA2 GLY 12 2HA GLY 12 -4.272 2.753 2.482
79 HA3 GLY 12 1HA GLY 12 -4.229 1.369 1.391
80 H LYS 13 H LYS 13 -5.603 3.488 -0.505
81 HA LYS 13 HA LYS 13 -3.401 4.004 -2.126
82 HB2 LYS 13 2HB LYS 13 -6.100 4.303 -2.377
83 HB3 LYS 13 1HB LYS 13 -5.604 5.980 -2.200
84 HG2 LYS 13 2HG LYS 13 -4.821 4.022 -4.331
85 HG3 LYS 13 1HG LYS 13 -5.654 5.568 -4.504
86 HD2 LYS 13 2HD LYS 13 -3.547 6.640 -3.585
87 HD3 LYS 13 1HD LYS 13 -2.771 5.072 -3.814
88 HE2 LYS 13 2HE LYS 13 -3.382 5.150 -6.204
89 HE3 LYS 13 1HE LYS 13 -4.074 6.752 -5.955
90 HZ1 LYS 13 3HZ LYS 13 -1.227 6.006 -5.556
91 HZ2 LYS 13 1HZ LYS 13 -1.883 7.542 -5.282
92 HZ3 LYS 13 2HZ LYS 13 -1.846 6.905 -6.848
93 H ILE 14 H ILE 14 -4.995 5.877 0.364
94 HA ILE 14 HA ILE 14 -3.588 8.271 0.177
95 HB ILE 14 HB ILE 14 -4.098 8.390 2.688
96 HG12 ILE 14 2HG1 ILE 14 -5.810 5.986 2.082
97 HG13 ILE 14 1HG1 ILE 14 -4.213 5.828 2.799
98 HG21 ILE 14 1HG2 ILE 14 -6.355 7.936 0.743
99 HG22 ILE 14 2HG2 ILE 14 -5.486 9.451 0.987
100 HG23 ILE 14 3HG2 ILE 14 -6.481 8.786 2.283
101 HD11 ILE 14 3HD1 ILE 14 -6.558 7.301 3.968
102 HD12 ILE 14 1HD1 ILE 14 -4.947 7.221 4.680
103 HD13 ILE 14 2HD1 ILE 14 -5.905 5.751 4.503
104 H ALA 15 H ALA 15 -2.878 5.237 1.808
105 HA ALA 15 HA ALA 15 -0.582 6.183 3.206
106 HB1 ALA 15 1HB ALA 15 -0.131 3.839 3.684
107 HB2 ALA 15 2HB ALA 15 -1.333 3.353 2.488
108 HB3 ALA 15 3HB ALA 15 -1.834 4.214 3.944
109 H SER 16 H SER 16 -1.023 4.391 0.182
110 HA SER 16 HA SER 16 1.701 4.084 -0.423
111 HB2 SER 16 2HB SER 16 -0.062 2.833 -1.602
112 HB3 SER 16 1HB SER 16 -0.650 4.331 -2.322
113 HG SER 16 HG SER 16 1.886 4.263 -2.887
114 H ASN 17 H ASN 17 -0.407 6.779 -0.495
115 HA ASN 17 HA ASN 17 1.058 8.354 -2.389
116 HB2 ASN 17 2HB ASN 17 -1.304 8.817 -1.986
117 HB3 ASN 17 1HB ASN 17 -0.970 9.164 -0.293
118 HD21 ASN 17 1HD2 ASN 17 -0.688 10.295 -3.562
119 HD22 ASN 17 2HD2 ASN 17 -0.279 11.928 -3.177
120 H VAL 18 H VAL 18 0.849 8.221 1.154
121 HA VAL 18 HA VAL 18 2.796 10.266 1.561
122 HB VAL 18 HB VAL 18 2.651 9.827 3.862
123 HG11 VAL 18 1HG1 VAL 18 -0.024 8.958 2.788
124 HG12 VAL 18 2HG1 VAL 18 0.544 10.627 2.836
125 HG13 VAL 18 3HG1 VAL 18 0.300 9.733 4.338
126 HG21 VAL 18 3HG2 VAL 18 3.186 7.430 3.779
127 HG22 VAL 18 1HG2 VAL 18 1.539 7.090 3.250
128 HG23 VAL 18 2HG2 VAL 18 1.827 7.766 4.852
129 H GLN 19 H GLN 19 2.883 6.821 1.084
130 HA GLN 19 HA GLN 19 5.490 6.362 2.085
131 HB2 GLN 19 2HB GLN 19 3.641 4.653 1.503
132 HB3 GLN 19 1HB GLN 19 4.266 4.763 -0.138
133 HG2 GLN 19 2HG GLN 19 6.542 4.257 0.932
134 HG3 GLN 19 1HG GLN 19 5.592 3.734 2.321
135 HE21 GLN 19 1HE2 GLN 19 4.503 3.383 -0.973
136 HE22 GLN 19 2HE2 GLN 19 4.611 1.661 -1.034
137 H LYS 20 H LYS 20 4.251 7.550 -0.949
138 HA LYS 20 HA LYS 20 6.551 7.101 -2.522
139 HB2 LYS 20 2HB LYS 20 4.763 7.597 -3.864
140 HB3 LYS 20 1HB LYS 20 4.094 8.757 -2.728
141 HG2 LYS 20 2HG LYS 20 6.623 9.548 -4.010
142 HG3 LYS 20 1HG LYS 20 5.219 9.423 -5.073
143 HD2 LYS 20 2HD LYS 20 5.022 10.878 -2.467
144 HD3 LYS 20 1HD LYS 20 5.710 11.677 -3.885
145 HE2 LYS 20 2HE LYS 20 3.657 11.206 -5.137
146 HE3 LYS 20 1HE LYS 20 2.976 10.411 -3.720
147 HZ1 LYS 20 3HZ LYS 20 2.198 12.704 -3.985
148 HZ2 LYS 20 1HZ LYS 20 3.788 13.264 -3.833
149 HZ3 LYS 20 2HZ LYS 20 3.036 12.487 -2.533
150 H LYS 21 H LYS 21 5.549 9.692 -0.373
151 HA LYS 21 HA LYS 21 7.699 11.448 -0.988
152 HB2 LYS 21 2HB LYS 21 5.692 11.253 1.240
153 HB3 LYS 21 1HB LYS 21 7.011 12.406 1.328
154 HG2 LYS 21 2HG LYS 21 6.262 13.441 -0.747
155 HG3 LYS 21 1HG LYS 21 4.952 12.265 -0.862
156 HD2 LYS 21 2HD LYS 21 3.964 13.104 1.175
157 HD3 LYS 21 1HD LYS 21 5.326 14.200 1.422
158 HE2 LYS 21 2HE LYS 21 3.368 15.359 0.503
159 HE3 LYS 21 1HE LYS 21 4.744 15.415 -0.597
160 HZ1 LYS 21 3HZ LYS 21 2.678 14.921 -1.758
161 HZ2 LYS 21 1HZ LYS 21 2.451 13.539 -0.808
162 HZ3 LYS 21 2HZ LYS 21 3.760 13.626 -1.875
163 H LEU 22 H LEU 22 7.403 8.587 0.825
164 HA LEU 22 HA LEU 22 9.690 9.118 2.529
165 HB2 LEU 22 2HB LEU 22 7.750 6.848 2.254
166 HB3 LEU 22 1HB LEU 22 9.222 6.665 3.182
167 HG LEU 22 HG LEU 22 7.090 8.728 3.730
168 HD11 LEU 22 1HD1 LEU 22 7.707 6.099 5.065
169 HD12 LEU 22 2HD1 LEU 22 6.229 6.537 4.207
170 HD13 LEU 22 3HD1 LEU 22 6.633 7.332 5.729
171 HD21 LEU 22 3HD2 LEU 22 8.310 9.109 5.802
172 HD22 LEU 22 1HD2 LEU 22 9.342 9.422 4.405
173 HD23 LEU 22 2HD2 LEU 22 9.525 7.925 5.320
174 H THR 23 H THR 23 8.820 7.182 -0.273
175 HA THR 23 HA THR 23 10.971 5.498 -0.525
176 HB THR 23 HB THR 23 9.703 6.994 -2.820
177 HG1 THR 23 1HG THR 23 8.035 6.033 -1.721
178 HG21 THR 23 3HG2 THR 23 10.238 4.948 -4.091
179 HG22 THR 23 1HG2 THR 23 11.050 4.294 -2.670
180 HG23 THR 23 2HG2 THR 23 11.685 5.736 -3.462
181 H ARG 24 H ARG 24 10.740 8.882 -1.591
182 HA ARG 24 HA ARG 24 13.177 9.132 -2.869
183 HB2 ARG 24 2HB ARG 24 11.659 11.137 -1.202
184 HB3 ARG 24 1HB ARG 24 13.077 11.550 -2.154
185 HG2 ARG 24 2HG ARG 24 10.593 10.323 -3.323
186 HG3 ARG 24 1HG ARG 24 10.878 12.061 -3.229
187 HD2 ARG 24 2HD ARG 24 12.677 10.085 -4.629
188 HD3 ARG 24 1HD ARG 24 11.471 11.093 -5.427
189 HE ARG 24 HE ARG 24 13.440 12.515 -3.851
190 HH11 ARG 24 1HH1 ARG 24 12.524 11.322 -6.996
191 HH12 ARG 24 2HH1 ARG 24 13.547 12.426 -7.854
192 HH21 ARG 24 1HH2 ARG 24 14.791 13.969 -4.975
193 HH22 ARG 24 2HH2 ARG 24 14.834 13.929 -6.706
194 H ALA 25 H ALA 25 12.408 9.270 0.537
195 HA ALA 25 HA ALA 25 15.088 9.917 1.364
196 HB1 ALA 25 1HB ALA 25 13.170 10.583 2.727
197 HB2 ALA 25 2HB ALA 25 14.257 9.532 3.635
198 HB3 ALA 25 3HB ALA 25 12.752 8.889 2.978
199 H GLN 26 H GLN 26 13.143 7.058 0.953
200 HA GLN 26 HA GLN 26 14.782 5.203 2.285
201 HB2 GLN 26 2HB GLN 26 12.569 5.087 0.309
202 HB3 GLN 26 1HB GLN 26 13.587 3.658 0.443
203 HG2 GLN 26 2HG GLN 26 13.130 3.613 2.870
204 HG3 GLN 26 1HG GLN 26 12.031 4.974 2.656
205 HE21 GLN 26 1HE2 GLN 26 12.574 1.596 2.003
206 HE22 GLN 26 2HE2 GLN 26 10.943 1.208 1.589
207 H GLU 27 H GLU 27 14.944 6.643 -0.881
208 HA GLU 27 HA GLU 27 16.596 4.763 -2.146
209 HB2 GLU 27 2HB GLU 27 15.458 7.246 -2.787
210 HB3 GLU 27 1HB GLU 27 17.191 7.457 -2.992
211 HG2 GLU 27 2HG GLU 27 17.272 5.573 -4.509
212 HG3 GLU 27 1HG GLU 27 15.553 5.271 -4.255
213 H LYS 28 H LYS 28 17.363 7.547 -0.119
214 HA LYS 28 HA LYS 28 20.130 7.557 -0.506
215 HB2 LYS 28 2HB LYS 28 18.295 8.538 1.647
216 HB3 LYS 28 1HB LYS 28 20.035 8.693 1.815
217 HG2 LYS 28 2HG LYS 28 19.227 10.741 0.948
218 HG3 LYS 28 1HG LYS 28 20.047 9.908 -0.370
219 HD2 LYS 28 2HD LYS 28 17.893 9.136 -1.227
220 HD3 LYS 28 1HD LYS 28 17.068 9.968 0.094
221 HE2 LYS 28 2HE LYS 28 17.963 12.107 -0.715
222 HE3 LYS 28 1HE LYS 28 18.754 11.264 -2.047
223 HZ1 LYS 28 3HZ LYS 28 16.666 12.259 -2.739
224 HZ2 LYS 28 1HZ LYS 28 15.825 11.371 -1.570
225 HZ3 LYS 28 2HZ LYS 28 16.586 10.574 -2.852
226 H VAL 29 H VAL 29 18.231 6.216 2.194
227 HA VAL 29 HA VAL 29 20.379 5.052 3.553
228 HB VAL 29 HB VAL 29 18.662 3.674 4.689
229 HG11 VAL 29 1HG1 VAL 29 17.999 6.598 4.382
230 HG12 VAL 29 2HG1 VAL 29 19.180 5.907 5.496
231 HG13 VAL 29 3HG1 VAL 29 17.462 5.562 5.705
232 HG21 VAL 29 3HG2 VAL 29 16.310 3.989 4.162
233 HG22 VAL 29 1HG2 VAL 29 17.175 3.331 2.773
234 HG23 VAL 29 2HG2 VAL 29 16.742 5.039 2.813
235 H LEU 30 H LEU 30 18.213 3.718 1.109
236 HA LEU 30 HA LEU 30 18.927 1.043 1.240
237 HB2 LEU 30 2HB LEU 30 17.525 2.756 -0.580
238 HB3 LEU 30 1HB LEU 30 18.544 1.653 -1.481
239 HG LEU 30 HG LEU 30 16.304 0.741 -1.226
240 HD11 LEU 30 1HD1 LEU 30 18.190 -0.811 -1.296
241 HD12 LEU 30 2HD1 LEU 30 16.877 -1.433 -0.296
242 HD13 LEU 30 3HD1 LEU 30 18.313 -0.742 0.462
243 HD21 LEU 30 3HD2 LEU 30 15.661 1.866 0.832
244 HD22 LEU 30 1HD2 LEU 30 16.827 0.904 1.740
245 HD23 LEU 30 2HD2 LEU 30 15.439 0.123 0.981
246 H GLN 31 H GLN 31 20.700 3.716 -0.125
247 HA GLN 31 HA GLN 31 22.482 1.963 -1.587
248 HB2 GLN 31 2HB GLN 31 22.599 4.952 -1.220
249 HB3 GLN 31 1HB GLN 31 23.584 4.011 -2.333
250 HG2 GLN 31 2HG GLN 31 21.508 3.294 -3.483
251 HG3 GLN 31 1HG GLN 31 20.601 4.371 -2.427
252 HE21 GLN 31 1HE2 GLN 31 19.861 5.626 -4.117
253 HE22 GLN 31 2HE2 GLN 31 20.887 6.709 -4.990
254 H LYS 32 H LYS 32 22.420 3.522 1.484
255 HA LYS 32 HA LYS 32 25.293 3.074 1.841
256 HB2 LYS 32 2HB LYS 32 25.010 4.351 3.950
257 HB3 LYS 32 1HB LYS 32 24.567 5.259 2.513
258 HG2 LYS 32 2HG LYS 32 22.826 5.804 3.866
259 HG3 LYS 32 1HG LYS 32 22.162 4.360 3.103
260 HD2 LYS 32 2HD LYS 32 21.746 4.219 5.457
261 HD3 LYS 32 1HD LYS 32 22.990 3.037 5.051
262 HE2 LYS 32 2HE LYS 32 24.714 4.607 5.822
263 HE3 LYS 32 1HE LYS 32 23.457 5.766 6.251
264 HZ1 LYS 32 3HZ LYS 32 24.211 4.510 8.175
265 HZ2 LYS 32 1HZ LYS 32 23.775 3.057 7.427
266 HZ3 LYS 32 2HZ LYS 32 22.585 4.183 7.848
267 H LEU 33 H LEU 33 22.283 1.679 2.616
268 HA LEU 33 HA LEU 33 23.405 0.144 4.842
269 HB2 LEU 33 2HB LEU 33 20.958 1.301 4.537
270 HB3 LEU 33 1HB LEU 33 20.619 -0.334 4.008
271 HG LEU 33 HG LEU 33 20.091 -0.127 6.351
272 HD11 LEU 33 1HD1 LEU 33 21.506 -1.902 7.274
273 HD12 LEU 33 2HD1 LEU 33 22.632 -1.689 5.932
274 HD13 LEU 33 3HD1 LEU 33 20.993 -2.259 5.624
275 HD21 LEU 33 3HD2 LEU 33 21.804 0.421 8.013
276 HD22 LEU 33 1HD2 LEU 33 21.528 1.760 6.898
277 HD23 LEU 33 2HD2 LEU 33 22.956 0.741 6.717
278 H TYR 34 H TYR 34 22.056 -0.177 1.621
279 HA TYR 34 HA TYR 34 22.965 -2.979 1.577
280 HB2 TYR 34 2HB TYR 34 20.522 -1.763 0.281
281 HB3 TYR 34 1HB TYR 34 21.131 -3.368 -0.100
282 HD1 TYR 34 1HD TYR 34 21.108 -5.141 1.653
283 HD2 TYR 34 2HD TYR 34 19.255 -1.360 2.254
284 HE1 TYR 34 1HE TYR 34 19.824 -6.076 3.530
285 HE2 TYR 34 2HE TYR 34 17.965 -2.283 4.133
286 HH TYR 34 HH TYR 34 17.184 -4.464 4.937
Start of MODEL 4
1 H1 MET 1 1HT MET 1 -17.022 8.416 6.451
2 H2 MET 1 2HT MET 1 -15.696 7.612 5.773
3 H3 MET 1 3HT MET 1 -17.104 7.836 4.862
4 HA MET 1 HA MET 1 -16.790 10.191 4.816
5 HB2 MET 1 2HB MET 1 -15.745 10.379 7.040
6 HB3 MET 1 1HB MET 1 -14.286 9.621 6.417
7 HG2 MET 1 2HG MET 1 -13.999 11.501 4.860
8 HG3 MET 1 1HG MET 1 -15.429 12.267 5.550
9 HE1 MET 1 2HE MET 1 -15.140 11.599 8.642
10 HE2 MET 1 3HE MET 1 -15.579 13.186 8.011
11 HE3 MET 1 1HE MET 1 -14.287 13.037 9.201
12 H ALA 2 H ALA 2 -14.500 7.565 4.501
13 HA ALA 2 HA ALA 2 -13.699 8.657 1.883
14 HB1 ALA 2 1HB ALA 2 -11.857 8.839 3.497
15 HB2 ALA 2 2HB ALA 2 -11.478 7.721 2.186
16 HB3 ALA 2 3HB ALA 2 -11.937 7.099 3.772
17 H GLU 3 H GLU 3 -15.548 6.426 3.205
18 HA GLU 3 HA GLU 3 -14.669 4.156 1.589
19 HB2 GLU 3 2HB GLU 3 -15.337 3.716 3.905
20 HB3 GLU 3 1HB GLU 3 -16.924 4.400 3.588
21 HG2 GLU 3 2HG GLU 3 -17.398 2.620 2.008
22 HG3 GLU 3 1HG GLU 3 -15.789 1.947 2.263
23 H MET 4 H MET 4 -15.246 4.321 -0.487
24 HA MET 4 HA MET 4 -17.973 5.229 -1.115
25 HB2 MET 4 2HB MET 4 -15.506 5.174 -2.859
26 HB3 MET 4 1HB MET 4 -17.102 5.681 -3.392
27 HG2 MET 4 2HG MET 4 -15.448 7.002 -1.252
28 HG3 MET 4 1HG MET 4 -15.685 7.588 -2.897
29 HE1 MET 4 3HE MET 4 -16.244 9.336 -0.220
30 HE2 MET 4 1HE MET 4 -17.712 10.161 -0.744
31 HE3 MET 4 2HE MET 4 -16.379 9.928 -1.876
32 H GLY 5 H GLY 5 -16.268 2.465 -0.708
33 HA2 GLY 5 2HA GLY 5 -17.678 0.447 -1.174
34 HA3 GLY 5 1HA GLY 5 -17.780 1.052 -2.820
35 H SER 6 H SER 6 -14.946 1.923 -2.771
36 HA SER 6 HA SER 6 -13.785 -0.367 -3.887
37 HB2 SER 6 2HB SER 6 -12.481 2.146 -2.829
38 HB3 SER 6 1HB SER 6 -11.651 0.925 -3.792
39 HG SER 6 HG SER 6 -13.378 2.896 -4.573
40 H LYS 7 H LYS 7 -13.289 1.141 -0.741
41 HA LYS 7 HA LYS 7 -12.233 0.440 1.154
42 HB2 LYS 7 2HB LYS 7 -13.755 -1.970 0.222
43 HB3 LYS 7 1HB LYS 7 -12.824 -2.012 1.713
44 HG2 LYS 7 2HG LYS 7 -14.130 -0.084 2.528
45 HG3 LYS 7 1HG LYS 7 -15.107 -0.162 1.066
46 HD2 LYS 7 2HD LYS 7 -14.782 -2.489 2.944
47 HD3 LYS 7 1HD LYS 7 -16.070 -1.292 3.115
48 HE2 LYS 7 2HE LYS 7 -16.833 -1.798 0.856
49 HE3 LYS 7 1HE LYS 7 -15.547 -2.989 0.685
50 HZ1 LYS 7 3HZ LYS 7 -17.755 -3.110 2.670
51 HZ2 LYS 7 1HZ LYS 7 -16.525 -4.259 2.492
52 HZ3 LYS 7 2HZ LYS 7 -17.656 -4.031 1.254
53 H GLY 8 H GLY 8 -10.124 0.761 0.207
54 HA2 GLY 8 2HA GLY 8 -8.105 -0.724 0.769
55 HA3 GLY 8 1HA GLY 8 -8.739 -1.735 -0.521
56 H VAL 9 H VAL 9 -9.454 0.064 -2.426
57 HA VAL 9 HA VAL 9 -6.897 0.847 -3.456
58 HB VAL 9 HB VAL 9 -9.608 1.430 -4.643
59 HG11 VAL 9 1HG1 VAL 9 -7.768 2.730 -5.594
60 HG12 VAL 9 2HG1 VAL 9 -8.395 1.561 -6.756
61 HG13 VAL 9 3HG1 VAL 9 -6.878 1.242 -5.914
62 HG21 VAL 9 3HG2 VAL 9 -7.827 -0.968 -5.070
63 HG22 VAL 9 1HG2 VAL 9 -9.306 -0.613 -5.962
64 HG23 VAL 9 2HG2 VAL 9 -9.381 -0.962 -4.235
65 H THR 10 H THR 10 -9.569 2.383 -1.933
66 HA THR 10 HA THR 10 -8.431 5.044 -2.418
67 HB THR 10 HB THR 10 -11.151 4.333 -1.307
68 HG1 THR 10 1HG THR 10 -11.016 3.818 -3.510
69 HG21 THR 10 3HG2 THR 10 -10.371 6.501 -0.516
70 HG22 THR 10 1HG2 THR 10 -11.663 6.712 -1.697
71 HG23 THR 10 2HG2 THR 10 -9.985 6.984 -2.168
72 H ALA 11 H ALA 11 -9.576 2.914 0.158
73 HA ALA 11 HA ALA 11 -8.969 4.674 2.298
74 HB1 ALA 11 1HB ALA 11 -9.278 2.732 3.739
75 HB2 ALA 11 2HB ALA 11 -9.238 1.668 2.333
76 HB3 ALA 11 3HB ALA 11 -10.559 2.821 2.530
77 H GLY 12 H GLY 12 -7.104 2.532 0.359
78 HA2 GLY 12 2HA GLY 12 -4.838 2.770 2.221
79 HA3 GLY 12 1HA GLY 12 -4.965 1.576 0.929
80 H LYS 13 H LYS 13 -6.123 4.107 -0.569
81 HA LYS 13 HA LYS 13 -3.903 4.629 -2.158
82 HB2 LYS 13 2HB LYS 13 -6.550 5.234 -2.292
83 HB3 LYS 13 1HB LYS 13 -5.891 6.803 -1.848
84 HG2 LYS 13 2HG LYS 13 -5.298 5.166 -4.289
85 HG3 LYS 13 1HG LYS 13 -6.007 6.779 -4.193
86 HD2 LYS 13 2HD LYS 13 -3.822 7.522 -3.151
87 HD3 LYS 13 1HD LYS 13 -3.170 5.957 -3.639
88 HE2 LYS 13 2HE LYS 13 -3.720 6.450 -5.971
89 HE3 LYS 13 1HE LYS 13 -4.385 8.010 -5.489
90 HZ1 LYS 13 3HZ LYS 13 -2.198 8.667 -4.712
91 HZ2 LYS 13 1HZ LYS 13 -2.133 8.220 -6.343
92 HZ3 LYS 13 2HZ LYS 13 -1.556 7.166 -5.154
93 H ILE 14 H ILE 14 -5.263 6.276 0.617
94 HA ILE 14 HA ILE 14 -3.604 8.499 0.766
95 HB ILE 14 HB ILE 14 -4.069 8.272 3.280
96 HG12 ILE 14 2HG1 ILE 14 -6.014 6.175 2.321
97 HG13 ILE 14 1HG1 ILE 14 -4.460 5.764 3.030
98 HG21 ILE 14 1HG2 ILE 14 -5.340 9.739 1.808
99 HG22 ILE 14 2HG2 ILE 14 -6.398 8.983 2.999
100 HG23 ILE 14 3HG2 ILE 14 -6.372 8.388 1.338
101 HD11 ILE 14 3HD1 ILE 14 -5.116 6.941 5.083
102 HD12 ILE 14 1HD1 ILE 14 -6.195 5.605 4.680
103 HD13 ILE 14 2HD1 ILE 14 -6.694 7.268 4.364
104 H ALA 15 H ALA 15 -3.206 5.197 1.923
105 HA ALA 15 HA ALA 15 -0.813 5.671 3.385
106 HB1 ALA 15 1HB ALA 15 -1.872 3.091 2.240
107 HB2 ALA 15 2HB ALA 15 -2.233 3.742 3.839
108 HB3 ALA 15 3HB ALA 15 -0.591 3.237 3.442
109 H SER 16 H SER 16 -1.444 4.379 0.144
110 HA SER 16 HA SER 16 1.243 3.968 -0.570
111 HB2 SER 16 2HB SER 16 -0.631 3.014 -1.855
112 HB3 SER 16 1HB SER 16 -1.118 4.634 -2.354
113 HG SER 16 HG SER 16 1.360 3.381 -2.950
114 H ASN 17 H ASN 17 -0.654 6.783 -0.196
115 HA ASN 17 HA ASN 17 0.844 8.505 -1.928
116 HB2 ASN 17 2HB ASN 17 -1.532 8.913 -1.176
117 HB3 ASN 17 1HB ASN 17 -0.892 9.309 0.415
118 HD21 ASN 17 1HD2 ASN 17 -2.371 10.948 -1.503
119 HD22 ASN 17 2HD2 ASN 17 -1.378 12.328 -1.808
120 H VAL 18 H VAL 18 0.803 7.837 1.554
121 HA VAL 18 HA VAL 18 2.941 9.670 2.107
122 HB VAL 18 HB VAL 18 2.775 9.054 4.350
123 HG11 VAL 18 1HG1 VAL 18 0.662 10.004 3.351
124 HG12 VAL 18 2HG1 VAL 18 0.477 9.155 4.886
125 HG13 VAL 18 3HG1 VAL 18 0.015 8.362 3.382
126 HG21 VAL 18 3HG2 VAL 18 1.829 6.957 5.172
127 HG22 VAL 18 1HG2 VAL 18 3.179 6.657 4.078
128 HG23 VAL 18 2HG2 VAL 18 1.523 6.438 3.516
129 H GLN 19 H GLN 19 2.657 6.317 1.248
130 HA GLN 19 HA GLN 19 5.238 5.494 2.124
131 HB2 GLN 19 2HB GLN 19 3.230 4.012 1.587
132 HB3 GLN 19 1HB GLN 19 3.657 4.230 -0.104
133 HG2 GLN 19 2HG GLN 19 6.005 3.434 0.684
134 HG3 GLN 19 1HG GLN 19 5.099 2.782 2.049
135 HE21 GLN 19 1HE2 GLN 19 3.641 1.110 1.718
136 HE22 GLN 19 2HE2 GLN 19 3.633 0.166 0.272
137 H LYS 20 H LYS 20 3.950 6.867 -0.829
138 HA LYS 20 HA LYS 20 6.107 6.365 -2.540
139 HB2 LYS 20 2HB LYS 20 5.051 7.766 -4.024
140 HB3 LYS 20 1HB LYS 20 3.714 7.420 -2.934
141 HG2 LYS 20 2HG LYS 20 4.490 9.554 -1.696
142 HG3 LYS 20 1HG LYS 20 5.333 9.916 -3.202
143 HD2 LYS 20 2HD LYS 20 2.388 9.292 -3.016
144 HD3 LYS 20 1HD LYS 20 3.057 10.924 -3.042
145 HE2 LYS 20 2HE LYS 20 3.400 8.846 -5.202
146 HE3 LYS 20 1HE LYS 20 2.286 10.213 -5.259
147 HZ1 LYS 20 3HZ LYS 20 4.174 11.713 -5.155
148 HZ2 LYS 20 1HZ LYS 20 4.326 10.668 -6.477
149 HZ3 LYS 20 2HZ LYS 20 5.246 10.408 -5.080
150 H LYS 21 H LYS 21 5.547 8.873 -0.151
151 HA LYS 21 HA LYS 21 7.807 10.460 -0.832
152 HB2 LYS 21 2HB LYS 21 5.902 10.334 1.473
153 HB3 LYS 21 1HB LYS 21 7.377 11.273 1.630
154 HG2 LYS 21 2HG LYS 21 6.738 12.557 -0.377
155 HG3 LYS 21 1HG LYS 21 5.224 11.651 -0.438
156 HD2 LYS 21 2HD LYS 21 4.596 12.509 1.744
157 HD3 LYS 21 1HD LYS 21 6.138 13.355 1.879
158 HE2 LYS 21 2HE LYS 21 4.013 13.872 -0.199
159 HE3 LYS 21 1HE LYS 21 4.327 14.867 1.223
160 HZ1 LYS 21 3HZ LYS 21 5.363 15.811 -0.731
161 HZ2 LYS 21 1HZ LYS 21 6.222 14.379 -1.011
162 HZ3 LYS 21 2HZ LYS 21 6.551 15.308 0.364
163 H LEU 22 H LEU 22 7.337 7.561 0.920
164 HA LEU 22 HA LEU 22 9.774 7.768 2.453
165 HB2 LEU 22 2HB LEU 22 7.738 5.583 2.090
166 HB3 LEU 22 1HB LEU 22 9.188 5.382 3.047
167 HG LEU 22 HG LEU 22 6.978 7.363 3.578
168 HD11 LEU 22 1HD1 LEU 22 7.828 4.883 5.063
169 HD12 LEU 22 2HD1 LEU 22 6.367 5.062 4.092
170 HD13 LEU 22 3HD1 LEU 22 6.568 6.010 5.566
171 HD21 LEU 22 3HD2 LEU 22 8.184 7.954 5.581
172 HD22 LEU 22 1HD2 LEU 22 9.222 8.209 4.177
173 HD23 LEU 22 2HD2 LEU 22 9.455 6.791 5.199
174 H THR 23 H THR 23 8.743 6.598 -0.592
175 HA THR 23 HA THR 23 10.785 4.685 -1.065
176 HB THR 23 HB THR 23 9.259 6.334 -3.093
177 HG1 THR 23 1HG THR 23 8.662 3.675 -2.311
178 HG21 THR 23 3HG2 THR 23 11.221 5.270 -4.059
179 HG22 THR 23 1HG2 THR 23 9.759 4.456 -4.615
180 HG23 THR 23 2HG2 THR 23 10.754 3.721 -3.357
181 H ARG 24 H ARG 24 10.456 8.135 -1.798
182 HA ARG 24 HA ARG 24 12.849 8.470 -3.205
183 HB2 ARG 24 2HB ARG 24 11.372 10.437 -1.444
184 HB3 ARG 24 1HB ARG 24 12.659 10.864 -2.565
185 HG2 ARG 24 2HG ARG 24 10.014 9.640 -3.321
186 HG3 ARG 24 1HG ARG 24 10.451 11.341 -3.490
187 HD2 ARG 24 2HD ARG 24 11.779 9.007 -4.867
188 HD3 ARG 24 1HD ARG 24 10.686 10.170 -5.613
189 HE ARG 24 HE ARG 24 12.648 11.739 -4.631
190 HH11 ARG 24 1HH1 ARG 24 12.670 8.879 -6.621
191 HH12 ARG 24 2HH1 ARG 24 14.121 9.317 -7.459
192 HH21 ARG 24 1HH2 ARG 24 14.560 12.323 -5.730
193 HH22 ARG 24 2HH2 ARG 24 15.196 11.274 -6.952
194 H ALA 25 H ALA 25 12.081 8.471 0.191
195 HA ALA 25 HA ALA 25 14.717 9.197 1.069
196 HB1 ALA 25 1HB ALA 25 13.892 8.637 3.308
197 HB2 ALA 25 2HB ALA 25 12.432 7.946 2.601
198 HB3 ALA 25 3HB ALA 25 12.750 9.674 2.452
199 H GLN 26 H GLN 26 12.912 6.292 0.446
200 HA GLN 26 HA GLN 26 14.500 4.366 1.659
201 HB2 GLN 26 2HB GLN 26 12.213 4.186 0.423
202 HB3 GLN 26 1HB GLN 26 13.195 3.927 -1.012
203 HG2 GLN 26 2HG GLN 26 14.251 2.004 0.049
204 HG3 GLN 26 1HG GLN 26 13.266 2.265 1.488
205 HE21 GLN 26 1HE2 GLN 26 13.420 -0.043 -0.304
206 HE22 GLN 26 2HE2 GLN 26 11.812 -0.305 -0.880
207 H GLU 27 H GLU 27 14.836 6.022 -1.432
208 HA GLU 27 HA GLU 27 16.945 4.403 -2.426
209 HB2 GLU 27 2HB GLU 27 15.388 6.545 -3.369
210 HB3 GLU 27 1HB GLU 27 17.055 7.103 -3.430
211 HG2 GLU 27 2HG GLU 27 16.011 4.572 -4.674
212 HG3 GLU 27 1HG GLU 27 16.346 6.077 -5.527
213 H LYS 28 H LYS 28 16.824 7.305 -0.470
214 HA LYS 28 HA LYS 28 19.577 7.939 -0.601
215 HB2 LYS 28 2HB LYS 28 17.280 8.701 1.148
216 HB3 LYS 28 1HB LYS 28 18.907 9.165 1.613
217 HG2 LYS 28 2HG LYS 28 17.592 9.860 -1.003
218 HG3 LYS 28 1HG LYS 28 17.722 10.935 0.391
219 HD2 LYS 28 2HD LYS 28 20.178 10.784 0.246
220 HD3 LYS 28 1HD LYS 28 20.015 9.761 -1.183
221 HE2 LYS 28 2HE LYS 28 20.467 12.032 -1.865
222 HE3 LYS 28 1HE LYS 28 18.820 11.598 -2.320
223 HZ1 LYS 28 3HZ LYS 28 19.591 13.199 0.060
224 HZ2 LYS 28 1HZ LYS 28 18.010 12.778 -0.371
225 HZ3 LYS 28 2HZ LYS 28 18.912 13.809 -1.363
226 H VAL 29 H VAL 29 17.621 6.195 1.803
227 HA VAL 29 HA VAL 29 19.754 5.712 3.592
228 HB VAL 29 HB VAL 29 18.257 4.040 4.613
229 HG11 VAL 29 1HG1 VAL 29 16.989 6.685 3.929
230 HG12 VAL 29 2HG1 VAL 29 18.068 6.351 5.283
231 HG13 VAL 29 3HG1 VAL 29 16.463 5.621 5.234
232 HG21 VAL 29 3HG2 VAL 29 16.399 4.721 2.339
233 HG22 VAL 29 1HG2 VAL 29 15.989 3.739 3.745
234 HG23 VAL 29 2HG2 VAL 29 17.202 3.172 2.598
235 H LEU 30 H LEU 30 18.291 3.742 1.038
236 HA LEU 30 HA LEU 30 19.703 1.383 1.478
237 HB2 LEU 30 2HB LEU 30 18.163 2.560 -0.712
238 HB3 LEU 30 1HB LEU 30 19.377 1.413 -1.237
239 HG LEU 30 HG LEU 30 17.195 0.347 -0.940
240 HD11 LEU 30 1HD1 LEU 30 17.908 -1.511 0.461
241 HD12 LEU 30 2HD1 LEU 30 19.211 -0.523 1.122
242 HD13 LEU 30 3HD1 LEU 30 19.220 -0.966 -0.585
243 HD21 LEU 30 3HD2 LEU 30 17.479 1.210 1.935
244 HD22 LEU 30 1HD2 LEU 30 16.267 0.080 1.331
245 HD23 LEU 30 2HD2 LEU 30 16.260 1.757 0.785
246 H GLN 31 H GLN 31 20.729 4.353 -0.009
247 HA GLN 31 HA GLN 31 22.998 3.196 -1.333
248 HB2 GLN 31 2HB GLN 31 22.166 6.046 -0.831
249 HB3 GLN 31 1HB GLN 31 23.649 5.620 -1.673
250 HG2 GLN 31 2HG GLN 31 21.131 4.412 -2.654
251 HG3 GLN 31 1HG GLN 31 21.376 6.133 -2.940
252 HE21 GLN 31 1HE2 GLN 31 24.042 3.895 -2.773
253 HE22 GLN 31 2HE2 GLN 31 24.445 3.942 -4.450
254 H LYS 32 H LYS 32 22.371 4.483 1.798
255 HA LYS 32 HA LYS 32 25.247 4.597 2.376
256 HB2 LYS 32 2HB LYS 32 24.549 5.808 4.445
257 HB3 LYS 32 1HB LYS 32 24.132 6.629 2.949
258 HG2 LYS 32 2HG LYS 32 22.187 6.894 4.094
259 HG3 LYS 32 1HG LYS 32 21.847 5.367 3.284
260 HD2 LYS 32 2HD LYS 32 21.191 5.128 5.564
261 HD3 LYS 32 1HD LYS 32 22.672 4.195 5.343
262 HE2 LYS 32 2HE LYS 32 23.979 5.984 6.329
263 HE3 LYS 32 1HE LYS 32 22.538 6.987 6.476
264 HZ1 LYS 32 3HZ LYS 32 22.983 4.398 7.865
265 HZ2 LYS 32 1HZ LYS 32 21.611 5.378 8.015
266 HZ3 LYS 32 2HZ LYS 32 23.109 5.929 8.573
267 H LEU 33 H LEU 33 22.487 2.674 2.894
268 HA LEU 33 HA LEU 33 23.454 1.495 5.360
269 HB2 LEU 33 2HB LEU 33 20.953 1.757 4.168
270 HB3 LEU 33 1HB LEU 33 21.321 0.050 4.018
271 HG LEU 33 HG LEU 33 20.059 0.397 6.030
272 HD11 LEU 33 1HD1 LEU 33 22.965 -0.073 6.679
273 HD12 LEU 33 2HD1 LEU 33 21.811 -1.288 6.130
274 HD13 LEU 33 3HD1 LEU 33 21.594 -0.512 7.699
275 HD21 LEU 33 3HD2 LEU 33 20.555 2.767 6.357
276 HD22 LEU 33 1HD2 LEU 33 22.201 2.360 6.840
277 HD23 LEU 33 2HD2 LEU 33 20.837 1.843 7.831
278 H TYR 34 H TYR 34 23.302 0.739 1.940
279 HA TYR 34 HA TYR 34 24.821 -1.729 2.465
280 HB2 TYR 34 2HB TYR 34 22.898 -1.081 0.225
281 HB3 TYR 34 1HB TYR 34 23.927 -2.508 0.252
282 HD1 TYR 34 2HD TYR 34 21.130 -0.809 1.983
283 HD2 TYR 34 1HD TYR 34 23.326 -4.423 1.516
284 HE1 TYR 34 2HE TYR 34 19.417 -2.009 3.272
285 HE2 TYR 34 1HE TYR 34 21.617 -5.633 2.804
286 HH TYR 34 HH TYR 34 18.583 -4.277 3.562
Start of MODEL 5
1 H1 MET 1 1HT MET 1 -12.197 -13.558 -10.191
2 H2 MET 1 2HT MET 1 -12.192 -14.647 -8.899
3 H3 MET 1 3HT MET 1 -10.739 -13.970 -9.439
4 HA MET 1 HA MET 1 -11.477 -11.777 -8.766
5 HB2 MET 1 2HB MET 1 -13.850 -13.276 -7.637
6 HB3 MET 1 1HB MET 1 -13.510 -11.568 -7.400
7 HG2 MET 1 2HG MET 1 -13.764 -11.177 -9.791
8 HG3 MET 1 1HG MET 1 -14.091 -12.892 -10.039
9 HE1 MET 1 2HE MET 1 -16.362 -12.253 -11.322
10 HE2 MET 1 3HE MET 1 -15.981 -10.550 -11.068
11 HE3 MET 1 1HE MET 1 -17.577 -11.170 -10.644
12 H ALA 2 H ALA 2 -10.087 -14.340 -7.881
13 HA ALA 2 HA ALA 2 -10.077 -13.886 -4.979
14 HB1 ALA 2 1HB ALA 2 -8.923 -16.180 -6.563
15 HB2 ALA 2 2HB ALA 2 -10.465 -16.189 -5.709
16 HB3 ALA 2 3HB ALA 2 -8.958 -16.045 -4.805
17 H GLU 3 H GLU 3 -8.802 -12.019 -4.924
18 HA GLU 3 HA GLU 3 -6.003 -12.390 -5.768
19 HB2 GLU 3 2HB GLU 3 -7.112 -10.579 -6.983
20 HB3 GLU 3 1HB GLU 3 -7.562 -9.818 -5.463
21 HG2 GLU 3 2HG GLU 3 -5.656 -8.706 -6.468
22 HG3 GLU 3 1HG GLU 3 -5.214 -9.455 -4.935
23 H MET 4 H MET 4 -4.584 -12.601 -4.183
24 HA MET 4 HA MET 4 -5.300 -11.605 -1.507
25 HB2 MET 4 2HB MET 4 -3.498 -13.873 -2.358
26 HB3 MET 4 1HB MET 4 -3.579 -13.272 -0.708
27 HG2 MET 4 2HG MET 4 -4.950 -15.205 -0.856
28 HG3 MET 4 1HG MET 4 -6.005 -13.802 -0.696
29 HE1 MET 4 3HE MET 4 -8.108 -16.209 -2.955
30 HE2 MET 4 1HE MET 4 -8.050 -15.298 -1.446
31 HE3 MET 4 2HE MET 4 -7.009 -16.704 -1.668
32 H GLY 5 H GLY 5 -4.209 -9.871 -3.462
33 HA2 GLY 5 2HA GLY 5 -1.526 -9.381 -2.319
34 HA3 GLY 5 1HA GLY 5 -1.929 -9.033 -3.993
35 H SER 6 H SER 6 -4.494 -7.896 -3.522
36 HA SER 6 HA SER 6 -3.642 -5.266 -2.632
37 HB2 SER 6 2HB SER 6 -6.239 -6.195 -3.881
38 HB3 SER 6 1HB SER 6 -5.826 -4.516 -3.533
39 HG SER 6 HG SER 6 -5.138 -4.677 -5.549
40 H LYS 7 H LYS 7 -3.466 -5.698 -0.379
41 HA LYS 7 HA LYS 7 -5.885 -6.391 1.076
42 HB2 LYS 7 2HB LYS 7 -3.281 -6.966 1.543
43 HB3 LYS 7 1HB LYS 7 -3.465 -5.537 2.551
44 HG2 LYS 7 2HG LYS 7 -5.389 -6.617 3.662
45 HG3 LYS 7 1HG LYS 7 -5.081 -8.068 2.706
46 HD2 LYS 7 2HD LYS 7 -2.751 -8.063 3.676
47 HD3 LYS 7 1HD LYS 7 -3.303 -6.800 4.778
48 HE2 LYS 7 2HE LYS 7 -3.452 -8.935 5.882
49 HE3 LYS 7 1HE LYS 7 -5.077 -8.325 5.573
50 HZ1 LYS 7 3HZ LYS 7 -5.216 -9.774 3.645
51 HZ2 LYS 7 1HZ LYS 7 -4.898 -10.673 5.043
52 HZ3 LYS 7 2HZ LYS 7 -3.656 -10.358 3.938
53 H GLY 8 H GLY 8 -7.104 -4.499 0.478
54 HA2 GLY 8 2HA GLY 8 -8.043 -2.481 1.075
55 HA3 GLY 8 1HA GLY 8 -6.905 -2.413 2.413
56 H VAL 9 H VAL 9 -6.396 -2.519 -1.096
57 HA VAL 9 HA VAL 9 -4.241 -0.791 -1.170
58 HB VAL 9 HB VAL 9 -5.098 -0.346 -3.594
59 HG11 VAL 9 1HG1 VAL 9 -4.320 -3.095 -2.631
60 HG12 VAL 9 2HG1 VAL 9 -3.218 -1.783 -3.046
61 HG13 VAL 9 3HG1 VAL 9 -4.212 -2.529 -4.297
62 HG21 VAL 9 3HG2 VAL 9 -7.402 -1.043 -3.188
63 HG22 VAL 9 1HG2 VAL 9 -6.843 -2.663 -2.774
64 HG23 VAL 9 2HG2 VAL 9 -6.637 -2.051 -4.415
65 H THR 10 H THR 10 -7.678 -0.038 -1.310
66 HA THR 10 HA THR 10 -7.375 2.693 -1.998
67 HB THR 10 HB THR 10 -9.702 1.364 -0.601
68 HG1 THR 10 1HG THR 10 -9.507 0.365 -2.551
69 HG21 THR 10 3HG2 THR 10 -9.750 3.806 -0.427
70 HG22 THR 10 1HG2 THR 10 -11.016 3.223 -1.509
71 HG23 THR 10 2HG2 THR 10 -9.548 3.939 -2.173
72 H ALA 11 H ALA 11 -7.819 1.025 1.095
73 HA ALA 11 HA ALA 11 -7.885 3.416 2.648
74 HB1 ALA 11 1HB ALA 11 -8.901 1.323 3.436
75 HB2 ALA 11 2HB ALA 11 -7.706 1.937 4.579
76 HB3 ALA 11 3HB ALA 11 -7.301 0.586 3.520
77 H GLY 12 H GLY 12 -5.425 1.495 1.264
78 HA2 GLY 12 2HA GLY 12 -3.388 2.812 2.930
79 HA3 GLY 12 1HA GLY 12 -3.125 1.356 1.969
80 H LYS 13 H LYS 13 -4.959 3.101 0.020
81 HA LYS 13 HA LYS 13 -2.959 3.780 -1.796
82 HB2 LYS 13 2HB LYS 13 -5.681 3.658 -1.879
83 HB3 LYS 13 1HB LYS 13 -5.436 5.403 -1.860
84 HG2 LYS 13 2HG LYS 13 -4.551 3.404 -3.903
85 HG3 LYS 13 1HG LYS 13 -5.535 4.851 -4.117
86 HD2 LYS 13 2HD LYS 13 -3.476 6.173 -3.433
87 HD3 LYS 13 1HD LYS 13 -2.576 4.667 -3.614
88 HE2 LYS 13 2HE LYS 13 -2.388 5.944 -5.649
89 HE3 LYS 13 1HE LYS 13 -3.375 4.514 -5.950
90 HZ1 LYS 13 3HZ LYS 13 -4.346 6.464 -6.970
91 HZ2 LYS 13 1HZ LYS 13 -4.398 7.262 -5.479
92 HZ3 LYS 13 2HZ LYS 13 -5.356 5.893 -5.740
93 H ILE 14 H ILE 14 -4.684 5.644 0.630
94 HA ILE 14 HA ILE 14 -3.615 8.168 0.176
95 HB ILE 14 HB ILE 14 -3.927 8.404 2.719
96 HG12 ILE 14 2HG1 ILE 14 -5.363 5.772 2.368
97 HG13 ILE 14 1HG1 ILE 14 -3.739 5.885 3.032
98 HG21 ILE 14 1HG2 ILE 14 -5.550 9.218 1.111
99 HG22 ILE 14 2HG2 ILE 14 -6.377 8.489 2.487
100 HG23 ILE 14 3HG2 ILE 14 -6.246 7.604 0.966
101 HD11 ILE 14 3HD1 ILE 14 -6.235 7.101 4.183
102 HD12 ILE 14 1HD1 ILE 14 -4.609 7.317 4.832
103 HD13 ILE 14 2HD1 ILE 14 -5.342 5.713 4.806
104 H ALA 15 H ALA 15 -2.435 5.402 2.001
105 HA ALA 15 HA ALA 15 -0.148 6.712 3.080
106 HB1 ALA 15 1HB ALA 15 0.603 4.487 3.708
107 HB2 ALA 15 2HB ALA 15 -0.632 3.767 2.676
108 HB3 ALA 15 3HB ALA 15 -1.104 4.701 4.095
109 H SER 16 H SER 16 -0.743 4.798 0.189
110 HA SER 16 HA SER 16 1.938 4.560 -0.641
111 HB2 SER 16 2HB SER 16 0.148 3.192 -1.621
112 HB3 SER 16 1HB SER 16 -0.595 4.635 -2.307
113 HG SER 16 HG SER 16 0.777 3.401 -3.765
114 H ASN 17 H ASN 17 -0.330 7.128 -0.644
115 HA ASN 17 HA ASN 17 0.913 8.712 -2.689
116 HB2 ASN 17 2HB ASN 17 -1.161 9.297 -0.581
117 HB3 ASN 17 1HB ASN 17 -0.513 10.563 -1.619
118 HD21 ASN 17 1HD2 ASN 17 -2.502 10.938 -2.570
119 HD22 ASN 17 2HD2 ASN 17 -3.205 9.842 -3.704
120 H VAL 18 H VAL 18 0.926 8.674 0.847
121 HA VAL 18 HA VAL 18 2.765 10.862 1.071
122 HB VAL 18 HB VAL 18 2.686 10.557 3.400
123 HG11 VAL 18 1HG1 VAL 18 0.028 9.542 2.408
124 HG12 VAL 18 2HG1 VAL 18 0.536 11.231 2.385
125 HG13 VAL 18 3HG1 VAL 18 0.339 10.390 3.922
126 HG21 VAL 18 3HG2 VAL 18 1.895 8.516 4.505
127 HG22 VAL 18 1HG2 VAL 18 3.308 8.203 3.497
128 HG23 VAL 18 2HG2 VAL 18 1.701 7.744 2.933
129 H GLN 19 H GLN 19 3.035 7.415 0.753
130 HA GLN 19 HA GLN 19 5.637 7.104 1.830
131 HB2 GLN 19 2HB GLN 19 3.889 5.290 1.323
132 HB3 GLN 19 1HB GLN 19 4.471 5.377 -0.335
133 HG2 GLN 19 2HG GLN 19 6.796 5.011 0.728
134 HG3 GLN 19 1HG GLN 19 5.873 4.443 2.117
135 HE21 GLN 19 1HE2 GLN 19 6.642 2.343 1.908
136 HE22 GLN 19 2HE2 GLN 19 6.113 1.290 0.645
137 H LYS 20 H LYS 20 4.387 7.888 -1.350
138 HA LYS 20 HA LYS 20 6.724 7.568 -2.850
139 HB2 LYS 20 2HB LYS 20 5.573 8.600 -4.553
140 HB3 LYS 20 1HB LYS 20 4.229 8.166 -3.503
141 HG2 LYS 20 2HG LYS 20 4.513 10.503 -2.496
142 HG3 LYS 20 1HG LYS 20 5.486 10.851 -3.927
143 HD2 LYS 20 2HD LYS 20 2.651 9.819 -3.985
144 HD3 LYS 20 1HD LYS 20 3.109 11.512 -4.175
145 HE2 LYS 20 2HE LYS 20 3.930 9.232 -5.972
146 HE3 LYS 20 1HE LYS 20 2.720 10.460 -6.339
147 HZ1 LYS 20 3HZ LYS 20 5.610 10.966 -5.873
148 HZ2 LYS 20 1HZ LYS 20 4.448 12.144 -6.229
149 HZ3 LYS 20 2HZ LYS 20 4.839 10.966 -7.378
150 H LYS 21 H LYS 21 5.599 10.174 -0.799
151 HA LYS 21 HA LYS 21 7.580 12.066 -1.522
152 HB2 LYS 21 2HB LYS 21 5.907 11.798 0.986
153 HB3 LYS 21 1HB LYS 21 6.860 13.206 0.559
154 HG2 LYS 21 2HG LYS 21 5.489 13.610 -1.381
155 HG3 LYS 21 1HG LYS 21 4.583 12.126 -1.079
156 HD2 LYS 21 2HD LYS 21 3.282 13.981 -0.290
157 HD3 LYS 21 1HD LYS 21 3.871 13.081 1.109
158 HE2 LYS 21 2HE LYS 21 5.654 14.712 1.422
159 HE3 LYS 21 1HE LYS 21 5.114 15.596 -0.005
160 HZ1 LYS 21 3HZ LYS 21 3.027 16.059 1.102
161 HZ2 LYS 21 1HZ LYS 21 4.319 16.607 2.049
162 HZ3 LYS 21 2HZ LYS 21 3.512 15.179 2.462
163 H LEU 22 H LEU 22 7.489 9.295 0.496
164 HA LEU 22 HA LEU 22 9.886 10.012 1.967
165 HB2 LEU 22 2HB LEU 22 8.074 7.605 2.030
166 HB3 LEU 22 1HB LEU 22 9.526 7.745 2.997
167 HG LEU 22 HG LEU 22 7.132 9.571 3.170
168 HD11 LEU 22 1HD1 LEU 22 8.116 7.394 5.004
169 HD12 LEU 22 2HD1 LEU 22 6.641 7.367 4.037
170 HD13 LEU 22 3HD1 LEU 22 6.805 8.516 5.366
171 HD21 LEU 22 3HD2 LEU 22 8.242 10.515 5.115
172 HD22 LEU 22 1HD2 LEU 22 9.250 10.702 3.679
173 HD23 LEU 22 2HD2 LEU 22 9.625 9.450 4.864
174 H THR 23 H THR 23 8.867 8.068 -0.720
175 HA THR 23 HA THR 23 10.808 6.175 -1.014
176 HB THR 23 HB THR 23 9.746 7.907 -3.249
177 HG1 THR 23 1HG THR 23 8.045 6.472 -3.321
178 HG21 THR 23 3HG2 THR 23 11.644 6.534 -3.937
179 HG22 THR 23 1HG2 THR 23 10.151 5.926 -4.652
180 HG23 THR 23 2HG2 THR 23 10.867 5.100 -3.268
181 H ARG 24 H ARG 24 11.032 9.579 -2.004
182 HA ARG 24 HA ARG 24 13.523 9.554 -3.199
183 HB2 ARG 24 2HB ARG 24 12.279 11.718 -1.495
184 HB3 ARG 24 1HB ARG 24 13.687 11.945 -2.522
185 HG2 ARG 24 2HG ARG 24 11.040 11.014 -3.585
186 HG3 ARG 24 1HG ARG 24 11.487 12.718 -3.464
187 HD2 ARG 24 2HD ARG 24 12.937 10.586 -5.030
188 HD3 ARG 24 1HD ARG 24 11.948 11.884 -5.692
189 HE ARG 24 HE ARG 24 14.097 12.852 -4.071
190 HH11 ARG 24 1HH1 ARG 24 13.250 11.708 -7.253
191 HH12 ARG 24 2HH1 ARG 24 14.537 12.557 -8.041
192 HH21 ARG 24 1HH2 ARG 24 15.794 13.971 -5.100
193 HH22 ARG 24 2HH2 ARG 24 15.985 13.841 -6.817
194 H ALA 25 H ALA 25 12.662 9.755 0.178
195 HA ALA 25 HA ALA 25 15.368 10.035 1.109
196 HB1 ALA 25 1HB ALA 25 14.410 9.763 3.344
197 HB2 ALA 25 2HB ALA 25 12.861 9.314 2.630
198 HB3 ALA 25 3HB ALA 25 13.498 10.942 2.401
199 H GLN 26 H GLN 26 13.088 7.450 0.589
200 HA GLN 26 HA GLN 26 14.406 5.397 1.978
201 HB2 GLN 26 2HB GLN 26 12.347 5.529 -0.177
202 HB3 GLN 26 1HB GLN 26 13.132 3.983 0.126
203 HG2 GLN 26 2HG GLN 26 12.451 4.145 2.493
204 HG3 GLN 26 1HG GLN 26 11.594 5.639 2.114
205 HE21 GLN 26 1HE2 GLN 26 10.764 4.650 -0.514
206 HE22 GLN 26 2HE2 GLN 26 9.486 3.528 -0.216
207 H GLU 27 H GLU 27 14.923 6.815 -1.162
208 HA GLU 27 HA GLU 27 16.501 4.729 -2.256
209 HB2 GLU 27 2HB GLU 27 15.547 7.260 -3.089
210 HB3 GLU 27 1HB GLU 27 17.294 7.286 -3.279
211 HG2 GLU 27 2HG GLU 27 17.189 5.267 -4.634
212 HG3 GLU 27 1HG GLU 27 15.439 5.213 -4.426
213 H LYS 28 H LYS 28 17.206 7.515 -0.263
214 HA LYS 28 HA LYS 28 20.012 7.469 -0.488
215 HB2 LYS 28 2HB LYS 28 18.062 8.579 1.502
216 HB3 LYS 28 1HB LYS 28 19.788 8.680 1.793
217 HG2 LYS 28 2HG LYS 28 18.396 9.776 -0.638
218 HG3 LYS 28 1HG LYS 28 18.829 10.722 0.785
219 HD2 LYS 28 2HD LYS 28 20.880 9.154 -0.752
220 HD3 LYS 28 1HD LYS 28 20.416 10.787 -1.230
221 HE2 LYS 28 2HE LYS 28 22.323 11.048 0.125
222 HE3 LYS 28 1HE LYS 28 20.955 11.481 1.150
223 HZ1 LYS 28 3HZ LYS 28 22.173 8.779 1.147
224 HZ2 LYS 28 1HZ LYS 28 21.086 9.424 2.271
225 HZ3 LYS 28 2HZ LYS 28 22.670 10.011 2.194
226 H VAL 29 H VAL 29 17.890 6.324 2.133
227 HA VAL 29 HA VAL 29 19.864 5.074 3.658
228 HB VAL 29 HB VAL 29 17.999 3.788 4.665
229 HG11 VAL 29 1HG1 VAL 29 16.792 5.750 5.549
230 HG12 VAL 29 2HG1 VAL 29 17.521 6.739 4.283
231 HG13 VAL 29 3HG1 VAL 29 18.539 5.990 5.515
232 HG21 VAL 29 3HG2 VAL 29 15.707 4.226 3.947
233 HG22 VAL 29 1HG2 VAL 29 16.648 3.468 2.661
234 HG23 VAL 29 2HG2 VAL 29 16.312 5.200 2.606
235 H LEU 30 H LEU 30 17.850 3.850 1.047
236 HA LEU 30 HA LEU 30 18.329 1.148 1.176
237 HB2 LEU 30 2HB LEU 30 17.493 3.048 -0.841
238 HB3 LEU 30 1HB LEU 30 18.414 1.732 -1.544
239 HG LEU 30 HG LEU 30 16.043 1.282 0.266
240 HD11 LEU 30 1HD1 LEU 30 15.308 2.559 -1.671
241 HD12 LEU 30 2HD1 LEU 30 14.736 0.892 -1.765
242 HD13 LEU 30 3HD1 LEU 30 16.107 1.412 -2.745
243 HD21 LEU 30 3HD2 LEU 30 17.431 -0.500 -1.734
244 HD22 LEU 30 1HD2 LEU 30 16.055 -0.938 -0.721
245 HD23 LEU 30 2HD2 LEU 30 17.617 -0.583 0.017
246 H GLN 31 H GLN 31 20.507 3.672 0.184
247 HA GLN 31 HA GLN 31 22.356 1.927 -1.135
248 HB2 GLN 31 2HB GLN 31 22.844 4.722 -0.118
249 HB3 GLN 31 1HB GLN 31 23.787 3.861 -1.327
250 HG2 GLN 31 2HG GLN 31 21.604 3.760 -2.668
251 HG3 GLN 31 1HG GLN 31 21.034 5.005 -1.559
252 HE21 GLN 31 1HE2 GLN 31 23.275 4.243 -4.104
253 HE22 GLN 31 2HE2 GLN 31 23.730 5.871 -4.465
254 H LYS 32 H LYS 32 21.945 3.089 2.103
255 HA LYS 32 HA LYS 32 24.531 1.959 2.891
256 HB2 LYS 32 2HB LYS 32 24.015 3.080 5.097
257 HB3 LYS 32 1HB LYS 32 24.278 4.147 3.729
258 HG2 LYS 32 2HG LYS 32 22.452 5.108 4.734
259 HG3 LYS 32 1HG LYS 32 21.693 4.088 3.513
260 HD2 LYS 32 2HD LYS 32 20.484 3.794 5.549
261 HD3 LYS 32 1HD LYS 32 21.425 2.327 5.279
262 HE2 LYS 32 2HE LYS 32 23.129 3.142 6.843
263 HE3 LYS 32 1HE LYS 32 22.177 4.601 7.114
264 HZ1 LYS 32 3HZ LYS 32 21.350 1.824 7.768
265 HZ2 LYS 32 1HZ LYS 32 20.383 3.197 7.974
266 HZ3 LYS 32 2HZ LYS 32 21.803 3.019 8.875
267 H LEU 33 H LEU 33 21.245 1.198 2.861
268 HA LEU 33 HA LEU 33 21.303 -0.507 5.204
269 HB2 LEU 33 2HB LEU 33 19.224 0.053 3.097
270 HB3 LEU 33 1HB LEU 33 18.995 -1.145 4.353
271 HG LEU 33 HG LEU 33 19.423 1.809 4.812
272 HD11 LEU 33 1HD1 LEU 33 17.247 1.319 3.825
273 HD12 LEU 33 2HD1 LEU 33 17.087 1.826 5.507
274 HD13 LEU 33 3HD1 LEU 33 16.941 0.120 5.082
275 HD21 LEU 33 3HD2 LEU 33 18.829 1.287 7.143
276 HD22 LEU 33 1HD2 LEU 33 20.324 0.499 6.640
277 HD23 LEU 33 2HD2 LEU 33 18.829 -0.431 6.743
278 H TYR 34 H TYR 34 21.233 -0.808 1.707
279 HA TYR 34 HA TYR 34 21.894 -3.664 1.982
280 HB2 TYR 34 2HB TYR 34 20.371 -2.280 -0.234
281 HB3 TYR 34 1HB TYR 34 20.838 -3.974 -0.241
282 HD1 TYR 34 2HD TYR 34 18.708 -1.468 1.439
283 HD2 TYR 34 1HD TYR 34 19.573 -5.604 0.942
284 HE1 TYR 34 2HE TYR 34 16.627 -2.039 2.617
285 HE2 TYR 34 1HE TYR 34 17.493 -6.186 2.118
286 HH TYR 34 HH TYR 34 15.051 -3.927 2.763
Start of MODEL 6
1 H1 MET 1 1HT MET 1 -11.526 7.136 3.238
2 H2 MET 1 2HT MET 1 -12.170 6.927 1.688
3 H3 MET 1 3HT MET 1 -12.939 6.231 3.024
4 HA MET 1 HA MET 1 -13.437 8.408 3.917
5 HB2 MET 1 2HB MET 1 -12.215 9.386 1.327
6 HB3 MET 1 1HB MET 1 -13.057 10.392 2.497
7 HG2 MET 1 2HG MET 1 -10.516 8.862 3.008
8 HG3 MET 1 1HG MET 1 -10.633 10.591 2.686
9 HE1 MET 1 2HE MET 1 -11.694 12.341 4.326
10 HE2 MET 1 3HE MET 1 -12.492 11.920 5.840
11 HE3 MET 1 1HE MET 1 -13.216 11.450 4.302
12 H ALA 2 H ALA 2 -14.291 6.212 1.895
13 HA ALA 2 HA ALA 2 -16.796 7.542 1.165
14 HB1 ALA 2 1HB ALA 2 -15.185 5.868 -0.761
15 HB2 ALA 2 2HB ALA 2 -15.383 7.619 -0.834
16 HB3 ALA 2 3HB ALA 2 -16.777 6.564 -1.067
17 H GLU 3 H GLU 3 -18.594 6.215 1.182
18 HA GLU 3 HA GLU 3 -18.193 3.623 2.469
19 HB2 GLU 3 2HB GLU 3 -20.710 5.249 2.068
20 HB3 GLU 3 1HB GLU 3 -20.613 3.732 2.951
21 HG2 GLU 3 2HG GLU 3 -19.200 6.288 3.679
22 HG3 GLU 3 1HG GLU 3 -20.647 5.645 4.453
23 H MET 4 H MET 4 -18.002 4.395 -0.532
24 HA MET 4 HA MET 4 -20.069 2.920 -1.825
25 HB2 MET 4 2HB MET 4 -18.727 3.183 -3.847
26 HB3 MET 4 1HB MET 4 -18.828 4.703 -2.969
27 HG2 MET 4 2HG MET 4 -16.596 4.309 -2.043
28 HG3 MET 4 1HG MET 4 -16.496 2.800 -2.949
29 HE1 MET 4 3HE MET 4 -13.967 4.985 -4.926
30 HE2 MET 4 1HE MET 4 -14.255 3.441 -4.123
31 HE3 MET 4 2HE MET 4 -14.213 4.932 -3.181
32 H GLY 5 H GLY 5 -17.172 2.055 -0.235
33 HA2 GLY 5 2HA GLY 5 -17.430 -0.562 0.060
34 HA3 GLY 5 1HA GLY 5 -16.926 -0.501 -1.623
35 H SER 6 H SER 6 -14.933 0.995 -1.948
36 HA SER 6 HA SER 6 -12.681 1.183 -1.694
37 HB2 SER 6 2HB SER 6 -13.473 1.468 1.214
38 HB3 SER 6 1HB SER 6 -11.900 1.900 0.544
39 HG SER 6 HG SER 6 -13.446 3.663 0.751
40 H LYS 7 H LYS 7 -12.170 -0.929 -2.360
41 HA LYS 7 HA LYS 7 -11.912 -3.003 -0.345
42 HB2 LYS 7 2HB LYS 7 -11.316 -4.469 -2.182
43 HB3 LYS 7 1HB LYS 7 -12.758 -3.554 -2.599
44 HG2 LYS 7 2HG LYS 7 -11.379 -2.023 -3.936
45 HG3 LYS 7 1HG LYS 7 -9.954 -2.989 -3.546
46 HD2 LYS 7 2HD LYS 7 -11.140 -4.956 -4.566
47 HD3 LYS 7 1HD LYS 7 -12.381 -3.830 -5.120
48 HE2 LYS 7 2HE LYS 7 -10.782 -4.255 -6.893
49 HE3 LYS 7 1HE LYS 7 -10.672 -2.578 -6.360
50 HZ1 LYS 7 3HZ LYS 7 -8.841 -4.778 -5.563
51 HZ2 LYS 7 1HZ LYS 7 -8.738 -3.177 -5.028
52 HZ3 LYS 7 2HZ LYS 7 -8.485 -3.541 -6.660
53 H GLY 8 H GLY 8 -10.214 -0.473 -0.527
54 HA2 GLY 8 2HA GLY 8 -8.074 -0.383 0.586
55 HA3 GLY 8 1HA GLY 8 -7.632 -1.865 -0.250
56 H VAL 9 H VAL 9 -8.901 -0.698 -2.736
57 HA VAL 9 HA VAL 9 -6.580 0.230 -3.968
58 HB VAL 9 HB VAL 9 -8.795 -0.672 -4.982
59 HG11 VAL 9 1HG1 VAL 9 -9.312 2.282 -5.150
60 HG12 VAL 9 2HG1 VAL 9 -10.209 1.139 -4.151
61 HG13 VAL 9 3HG1 VAL 9 -10.263 1.005 -5.908
62 HG21 VAL 9 3HG2 VAL 9 -6.798 -0.231 -6.281
63 HG22 VAL 9 1HG2 VAL 9 -7.181 1.489 -6.323
64 HG23 VAL 9 2HG2 VAL 9 -8.222 0.333 -7.155
65 H THR 10 H THR 10 -9.251 1.925 -2.540
66 HA THR 10 HA THR 10 -7.950 4.509 -3.034
67 HB THR 10 HB THR 10 -10.746 4.018 -2.002
68 HG1 THR 10 1HG THR 10 -11.204 3.599 -4.019
69 HG21 THR 10 3HG2 THR 10 -9.818 6.220 -1.439
70 HG22 THR 10 1HG2 THR 10 -11.122 6.354 -2.618
71 HG23 THR 10 2HG2 THR 10 -9.443 6.495 -3.140
72 H ALA 11 H ALA 11 -9.323 2.533 -0.448
73 HA ALA 11 HA ALA 11 -8.903 4.326 1.672
74 HB1 ALA 11 1HB ALA 11 -10.371 2.372 1.844
75 HB2 ALA 11 2HB ALA 11 -9.167 2.392 3.132
76 HB3 ALA 11 3HB ALA 11 -8.965 1.312 1.753
77 H GLY 12 H GLY 12 -6.767 2.254 -0.069
78 HA2 GLY 12 2HA GLY 12 -4.657 2.747 1.926
79 HA3 GLY 12 1HA GLY 12 -4.616 1.466 0.717
80 H LYS 13 H LYS 13 -5.809 3.752 -1.077
81 HA LYS 13 HA LYS 13 -3.501 4.341 -2.507
82 HB2 LYS 13 2HB LYS 13 -6.159 4.699 -2.926
83 HB3 LYS 13 1HB LYS 13 -5.683 6.351 -2.549
84 HG2 LYS 13 2HG LYS 13 -4.716 4.607 -4.788
85 HG3 LYS 13 1HG LYS 13 -5.564 6.152 -4.885
86 HD2 LYS 13 2HD LYS 13 -3.556 7.158 -3.704
87 HD3 LYS 13 1HD LYS 13 -2.736 5.629 -4.015
88 HE2 LYS 13 2HE LYS 13 -2.189 7.266 -5.735
89 HE3 LYS 13 1HE LYS 13 -3.098 5.917 -6.417
90 HZ1 LYS 13 3HZ LYS 13 -3.885 8.048 -7.251
91 HZ2 LYS 13 1HZ LYS 13 -4.236 8.561 -5.677
92 HZ3 LYS 13 2HZ LYS 13 -5.092 7.270 -6.358
93 H ILE 14 H ILE 14 -5.216 6.055 0.019
94 HA ILE 14 HA ILE 14 -3.756 8.424 0.106
95 HB ILE 14 HB ILE 14 -4.404 8.335 2.595
96 HG12 ILE 14 2HG1 ILE 14 -6.114 6.044 1.623
97 HG13 ILE 14 1HG1 ILE 14 -4.614 5.802 2.506
98 HG21 ILE 14 1HG2 ILE 14 -6.531 8.176 0.465
99 HG22 ILE 14 2HG2 ILE 14 -5.632 9.619 0.932
100 HG23 ILE 14 3HG2 ILE 14 -6.744 8.864 2.075
101 HD11 ILE 14 3HD1 ILE 14 -7.077 7.208 3.500
102 HD12 ILE 14 1HD1 ILE 14 -5.557 7.082 4.386
103 HD13 ILE 14 2HD1 ILE 14 -6.476 5.627 4.001
104 H ALA 15 H ALA 15 -3.202 5.268 1.570
105 HA ALA 15 HA ALA 15 -0.973 6.072 3.151
106 HB1 ALA 15 1HB ALA 15 -2.301 4.087 3.685
107 HB2 ALA 15 2HB ALA 15 -0.591 3.697 3.500
108 HB3 ALA 15 3HB ALA 15 -1.729 3.310 2.209
109 H SER 16 H SER 16 -1.297 4.529 -0.014
110 HA SER 16 HA SER 16 1.446 4.178 -0.507
111 HB2 SER 16 2HB SER 16 -0.274 3.076 -1.872
112 HB3 SER 16 1HB SER 16 -0.811 4.643 -2.479
113 HG SER 16 HG SER 16 0.817 4.679 -3.819
114 H ASN 17 H ASN 17 -0.590 6.926 -0.476
115 HA ASN 17 HA ASN 17 1.006 8.608 -2.157
116 HB2 ASN 17 2HB ASN 17 -1.400 9.028 -1.793
117 HB3 ASN 17 1HB ASN 17 -1.079 9.354 -0.093
118 HD21 ASN 17 1HD2 ASN 17 -0.742 10.513 -3.350
119 HD22 ASN 17 2HD2 ASN 17 -0.331 12.140 -2.944
120 H VAL 18 H VAL 18 0.641 8.149 1.340
121 HA VAL 18 HA VAL 18 2.619 10.125 1.990
122 HB VAL 18 HB VAL 18 2.285 9.584 4.251
123 HG11 VAL 18 1HG1 VAL 18 0.284 10.512 3.069
124 HG12 VAL 18 2HG1 VAL 18 -0.076 9.637 4.557
125 HG13 VAL 18 3HG1 VAL 18 -0.356 8.869 2.995
126 HG21 VAL 18 3HG2 VAL 18 1.097 6.941 3.412
127 HG22 VAL 18 1HG2 VAL 18 1.289 7.519 5.066
128 HG23 VAL 18 2HG2 VAL 18 2.711 7.171 4.083
129 H GLN 19 H GLN 19 2.607 6.708 1.335
130 HA GLN 19 HA GLN 19 5.119 6.115 2.533
131 HB2 GLN 19 2HB GLN 19 3.255 4.480 1.892
132 HB3 GLN 19 1HB GLN 19 3.888 4.586 0.254
133 HG2 GLN 19 2HG GLN 19 6.143 3.981 1.345
134 HG3 GLN 19 1HG GLN 19 5.149 3.462 2.705
135 HE21 GLN 19 1HE2 GLN 19 4.091 3.226 -0.608
136 HE22 GLN 19 2HE2 GLN 19 4.139 1.502 -0.707
137 H LYS 20 H LYS 20 4.090 7.249 -0.610
138 HA LYS 20 HA LYS 20 6.427 6.754 -2.068
139 HB2 LYS 20 2HB LYS 20 5.478 8.031 -3.725
140 HB3 LYS 20 1HB LYS 20 4.049 7.698 -2.754
141 HG2 LYS 20 2HG LYS 20 4.605 9.913 -1.568
142 HG3 LYS 20 1HG LYS 20 5.632 10.225 -2.967
143 HD2 LYS 20 2HD LYS 20 2.701 9.534 -3.140
144 HD3 LYS 20 1HD LYS 20 3.333 11.180 -3.155
145 HE2 LYS 20 2HE LYS 20 4.657 10.623 -5.160
146 HE3 LYS 20 1HE LYS 20 3.946 9.010 -5.159
147 HZ1 LYS 20 3HZ LYS 20 2.445 11.557 -5.450
148 HZ2 LYS 20 1HZ LYS 20 1.769 10.005 -5.465
149 HZ3 LYS 20 2HZ LYS 20 2.815 10.484 -6.704
150 H LYS 21 H LYS 21 5.548 9.326 0.143
151 HA LYS 21 HA LYS 21 7.773 11.008 -0.414
152 HB2 LYS 21 2HB LYS 21 5.643 10.869 1.659
153 HB3 LYS 21 1HB LYS 21 7.089 11.783 2.055
154 HG2 LYS 21 2HG LYS 21 6.761 13.114 -0.008
155 HG3 LYS 21 1HG LYS 21 5.247 12.248 -0.280
156 HD2 LYS 21 2HD LYS 21 5.836 13.777 2.248
157 HD3 LYS 21 1HD LYS 21 5.049 14.504 0.846
158 HE2 LYS 21 2HE LYS 21 4.037 12.054 2.282
159 HE3 LYS 21 1HE LYS 21 3.475 13.694 2.604
160 HZ1 LYS 21 3HZ LYS 21 2.767 13.843 0.280
161 HZ2 LYS 21 1HZ LYS 21 1.986 12.580 1.092
162 HZ3 LYS 21 2HZ LYS 21 3.251 12.243 0.022
163 H LEU 22 H LEU 22 7.307 8.161 1.446
164 HA LEU 22 HA LEU 22 9.673 8.550 3.068
165 HB2 LEU 22 2HB LEU 22 7.601 6.396 2.840
166 HB3 LEU 22 1HB LEU 22 9.088 6.121 3.725
167 HG LEU 22 HG LEU 22 7.055 8.265 4.337
168 HD11 LEU 22 1HD1 LEU 22 7.730 5.694 5.757
169 HD12 LEU 22 2HD1 LEU 22 6.240 6.046 4.882
170 HD13 LEU 22 3HD1 LEU 22 6.630 6.937 6.354
171 HD21 LEU 22 3HD2 LEU 22 8.385 8.767 6.268
172 HD22 LEU 22 1HD2 LEU 22 9.416 8.869 4.841
173 HD23 LEU 22 2HD2 LEU 22 9.505 7.457 5.894
174 H THR 23 H THR 23 8.734 7.050 0.130
175 HA THR 23 HA THR 23 10.759 5.124 -0.157
176 HB THR 23 HB THR 23 9.441 6.720 -2.359
177 HG1 THR 23 1HG THR 23 8.622 4.338 -1.021
178 HG21 THR 23 3HG2 THR 23 9.891 4.729 -3.729
179 HG22 THR 23 1HG2 THR 23 10.726 3.987 -2.364
180 HG23 THR 23 2HG2 THR 23 11.381 5.443 -3.112
181 H ARG 24 H ARG 24 10.599 8.520 -1.205
182 HA ARG 24 HA ARG 24 13.012 8.698 -2.544
183 HB2 ARG 24 2HB ARG 24 11.805 10.842 -0.790
184 HB3 ARG 24 1HB ARG 24 12.934 11.087 -2.114
185 HG2 ARG 24 2HG ARG 24 10.168 9.946 -2.435
186 HG3 ARG 24 1HG ARG 24 10.585 11.644 -2.671
187 HD2 ARG 24 2HD ARG 24 12.185 10.977 -4.425
188 HD3 ARG 24 1HD ARG 24 11.687 9.297 -4.213
189 HE ARG 24 HE ARG 24 9.370 10.677 -4.722
190 HH11 ARG 24 1HH1 ARG 24 12.408 10.207 -6.364
191 HH12 ARG 24 2HH1 ARG 24 11.724 10.369 -7.947
192 HH21 ARG 24 1HH2 ARG 24 8.461 10.890 -6.802
193 HH22 ARG 24 2HH2 ARG 24 9.480 10.758 -8.196
194 H ALA 25 H ALA 25 12.316 8.945 0.876
195 HA ALA 25 HA ALA 25 15.033 9.521 1.627
196 HB1 ALA 25 1HB ALA 25 12.712 8.613 3.333
197 HB2 ALA 25 2HB ALA 25 13.139 10.288 2.990
198 HB3 ALA 25 3HB ALA 25 14.239 9.271 3.920
199 H GLN 26 H GLN 26 12.983 6.726 1.333
200 HA GLN 26 HA GLN 26 14.540 4.847 2.715
201 HB2 GLN 26 2HB GLN 26 12.097 4.756 1.707
202 HB3 GLN 26 1HB GLN 26 12.930 4.072 0.318
203 HG2 GLN 26 2HG GLN 26 13.791 2.273 1.639
204 HG3 GLN 26 1HG GLN 26 13.144 2.992 3.112
205 HE21 GLN 26 1HE2 GLN 26 10.667 3.806 1.769
206 HE22 GLN 26 2HE2 GLN 26 9.733 2.365 1.590
207 H GLU 27 H GLU 27 14.761 6.162 -0.515
208 HA GLU 27 HA GLU 27 16.526 4.151 -1.522
209 HB2 GLU 27 2HB GLU 27 15.104 6.374 -2.566
210 HB3 GLU 27 1HB GLU 27 16.802 6.607 -2.955
211 HG2 GLU 27 2HG GLU 27 16.858 4.368 -3.964
212 HG3 GLU 27 1HG GLU 27 15.141 4.187 -3.613
213 H LYS 28 H LYS 28 16.902 7.277 0.010
214 HA LYS 28 HA LYS 28 19.577 7.778 -0.527
215 HB2 LYS 28 2HB LYS 28 17.773 8.491 1.766
216 HB3 LYS 28 1HB LYS 28 19.431 9.050 1.690
217 HG2 LYS 28 2HG LYS 28 17.317 9.592 -0.380
218 HG3 LYS 28 1HG LYS 28 17.841 10.722 0.868
219 HD2 LYS 28 2HD LYS 28 19.651 9.550 -1.242
220 HD3 LYS 28 1HD LYS 28 18.874 11.129 -1.361
221 HE2 LYS 28 2HE LYS 28 20.033 11.856 0.664
222 HE3 LYS 28 1HE LYS 28 20.795 10.271 0.803
223 HZ1 LYS 28 3HZ LYS 28 21.162 12.154 -1.466
224 HZ2 LYS 28 1HZ LYS 28 21.924 10.654 -1.285
225 HZ3 LYS 28 2HZ LYS 28 22.267 11.912 -0.209
226 H VAL 29 H VAL 29 18.123 6.033 2.209
227 HA VAL 29 HA VAL 29 20.593 5.475 3.482
228 HB VAL 29 HB VAL 29 19.302 3.899 4.856
229 HG11 VAL 29 1HG1 VAL 29 17.718 5.572 5.791
230 HG12 VAL 29 2HG1 VAL 29 18.042 6.594 4.389
231 HG13 VAL 29 3HG1 VAL 29 19.342 6.204 5.516
232 HG21 VAL 29 3HG2 VAL 29 16.880 3.686 4.531
233 HG22 VAL 29 1HG2 VAL 29 17.785 3.028 3.167
234 HG23 VAL 29 2HG2 VAL 29 17.008 4.605 3.033
235 H LEU 30 H LEU 30 18.492 3.559 1.369
236 HA LEU 30 HA LEU 30 19.812 1.125 1.516
237 HB2 LEU 30 2HB LEU 30 17.951 2.420 -0.328
238 HB3 LEU 30 1HB LEU 30 18.952 1.195 -1.080
239 HG LEU 30 HG LEU 30 16.756 0.345 -0.293
240 HD11 LEU 30 1HD1 LEU 30 18.642 -1.169 -0.558
241 HD12 LEU 30 2HD1 LEU 30 17.634 -1.655 0.805
242 HD13 LEU 30 3HD1 LEU 30 19.164 -0.826 1.092
243 HD21 LEU 30 3HD2 LEU 30 16.329 0.074 2.068
244 HD22 LEU 30 1HD2 LEU 30 16.583 1.781 1.709
245 HD23 LEU 30 2HD2 LEU 30 17.866 0.840 2.467
246 H GLN 31 H GLN 31 20.723 4.013 -0.211
247 HA GLN 31 HA GLN 31 22.639 2.659 -1.881
248 HB2 GLN 31 2HB GLN 31 22.148 5.596 -1.408
249 HB3 GLN 31 1HB GLN 31 23.244 4.943 -2.619
250 HG2 GLN 31 2HG GLN 31 20.341 4.211 -2.565
251 HG3 GLN 31 1HG GLN 31 20.920 5.665 -3.372
252 HE21 GLN 31 1HE2 GLN 31 19.628 3.323 -4.504
253 HE22 GLN 31 2HE2 GLN 31 20.724 2.681 -5.676
254 H LYS 32 H LYS 32 22.663 4.168 1.215
255 HA LYS 32 HA LYS 32 25.596 4.220 1.221
256 HB2 LYS 32 2HB LYS 32 25.335 5.550 3.321
257 HB3 LYS 32 1HB LYS 32 24.664 6.308 1.885
258 HG2 LYS 32 2HG LYS 32 23.016 6.709 3.425
259 HG3 LYS 32 1HG LYS 32 22.438 5.220 2.678
260 HD2 LYS 32 2HD LYS 32 22.204 5.045 5.069
261 HD3 LYS 32 1HD LYS 32 23.474 3.944 4.538
262 HE2 LYS 32 2HE LYS 32 25.172 5.551 5.223
263 HE3 LYS 32 1HE LYS 32 23.917 6.688 5.711
264 HZ1 LYS 32 3HZ LYS 32 24.823 5.472 7.599
265 HZ2 LYS 32 1HZ LYS 32 24.357 4.002 6.901
266 HZ3 LYS 32 2HZ LYS 32 23.183 5.119 7.385
267 H LEU 33 H LEU 33 23.018 2.319 2.287
268 HA LEU 33 HA LEU 33 24.424 1.271 4.608
269 HB2 LEU 33 2HB LEU 33 21.752 1.544 3.966
270 HB3 LEU 33 1HB LEU 33 22.038 -0.168 3.731
271 HG LEU 33 HG LEU 33 21.224 0.203 5.967
272 HD11 LEU 33 1HD1 LEU 33 23.042 -0.797 7.266
273 HD12 LEU 33 2HD1 LEU 33 24.174 -0.409 5.969
274 HD13 LEU 33 3HD1 LEU 33 22.870 -1.561 5.685
275 HD21 LEU 33 3HD2 LEU 33 22.405 1.587 7.574
276 HD22 LEU 33 1HD2 LEU 33 21.908 2.549 6.183
277 HD23 LEU 33 2HD2 LEU 33 23.588 2.037 6.346
278 H TYR 34 H TYR 34 23.604 0.370 1.326
279 HA TYR 34 HA TYR 34 25.112 -2.138 1.669
280 HB2 TYR 34 2HB TYR 34 22.953 -1.443 -0.331
281 HB3 TYR 34 1HB TYR 34 23.869 -2.944 -0.330
282 HD1 TYR 34 2HD TYR 34 21.385 -0.950 1.529
283 HD2 TYR 34 1HD TYR 34 23.335 -4.714 1.179
284 HE1 TYR 34 2HE TYR 34 19.756 -1.930 3.087
285 HE2 TYR 34 1HE TYR 34 21.709 -5.707 2.736
286 HH TYR 34 HH TYR 34 18.844 -4.107 3.670
Start of MODEL 7
1 H1 MET 1 1HT MET 1 -24.823 5.718 1.134
2 H2 MET 1 2HT MET 1 -24.771 6.361 2.696
3 H3 MET 1 3HT MET 1 -24.010 4.887 2.364
4 HA MET 1 HA MET 1 -23.246 7.540 1.295
5 HB2 MET 1 2HB MET 1 -22.041 5.723 3.376
6 HB3 MET 1 1HB MET 1 -21.089 6.953 2.558
7 HG2 MET 1 2HG MET 1 -21.807 7.840 4.641
8 HG3 MET 1 1HG MET 1 -22.707 8.657 3.365
9 HE1 MET 1 2HE MET 1 -24.411 9.584 5.099
10 HE2 MET 1 3HE MET 1 -23.607 8.777 6.445
11 HE3 MET 1 1HE MET 1 -25.346 8.594 6.219
12 H ALA 2 H ALA 2 -23.867 4.799 0.048
13 HA ALA 2 HA ALA 2 -23.064 3.480 -1.622
14 HB1 ALA 2 1HB ALA 2 -21.576 4.535 -3.243
15 HB2 ALA 2 2HB ALA 2 -21.240 5.834 -2.097
16 HB3 ALA 2 3HB ALA 2 -22.865 5.634 -2.751
17 H GLU 3 H GLU 3 -21.861 3.232 1.030
18 HA GLU 3 HA GLU 3 -19.059 2.784 0.738
19 HB2 GLU 3 2HB GLU 3 -21.010 1.830 2.840
20 HB3 GLU 3 1HB GLU 3 -19.266 1.647 2.944
21 HG2 GLU 3 2HG GLU 3 -20.756 4.259 2.807
22 HG3 GLU 3 1HG GLU 3 -20.059 3.538 4.258
23 H MET 4 H MET 4 -18.441 1.325 -0.752
24 HA MET 4 HA MET 4 -19.798 -1.275 -0.834
25 HB2 MET 4 2HB MET 4 -19.612 -0.108 -2.971
26 HB3 MET 4 1HB MET 4 -17.867 -0.001 -2.783
27 HG2 MET 4 2HG MET 4 -18.527 -1.765 -4.339
28 HG3 MET 4 1HG MET 4 -17.667 -2.404 -2.939
29 HE1 MET 4 3HE MET 4 -18.512 -4.877 -3.486
30 HE2 MET 4 1HE MET 4 -19.313 -4.231 -4.919
31 HE3 MET 4 2HE MET 4 -20.203 -5.269 -3.804
32 H GLY 5 H GLY 5 -16.432 -0.143 -1.250
33 HA2 GLY 5 2HA GLY 5 -15.054 -1.143 0.757
34 HA3 GLY 5 1HA GLY 5 -15.501 -2.642 -0.043
35 H SER 6 H SER 6 -14.876 -2.828 -2.357
36 HA SER 6 HA SER 6 -13.238 -2.969 -3.912
37 HB2 SER 6 2HB SER 6 -12.661 -0.084 -3.252
38 HB3 SER 6 1HB SER 6 -12.430 -0.916 -4.786
39 HG SER 6 HG SER 6 -14.903 -0.323 -3.535
40 H LYS 7 H LYS 7 -12.516 -3.711 -1.250
41 HA LYS 7 HA LYS 7 -10.727 -4.229 0.040
42 HB2 LYS 7 2HB LYS 7 -9.361 -3.825 -2.608
43 HB3 LYS 7 1HB LYS 7 -8.592 -4.560 -1.207
44 HG2 LYS 7 2HG LYS 7 -10.165 -6.375 -1.238
45 HG3 LYS 7 1HG LYS 7 -11.083 -5.593 -2.526
46 HD2 LYS 7 2HD LYS 7 -9.266 -5.870 -4.067
47 HD3 LYS 7 1HD LYS 7 -8.213 -6.475 -2.787
48 HE2 LYS 7 2HE LYS 7 -10.712 -7.805 -3.827
49 HE3 LYS 7 1HE LYS 7 -9.054 -8.305 -4.154
50 HZ1 LYS 7 3HZ LYS 7 -8.763 -8.739 -1.790
51 HZ2 LYS 7 1HZ LYS 7 -10.044 -9.649 -2.416
52 HZ3 LYS 7 2HZ LYS 7 -10.361 -8.273 -1.487
53 H GLY 8 H GLY 8 -11.508 -1.392 -0.312
54 HA2 GLY 8 2HA GLY 8 -10.818 0.676 0.408
55 HA3 GLY 8 1HA GLY 8 -9.661 -0.202 1.396
56 H VAL 9 H VAL 9 -9.712 -0.314 -2.109
57 HA VAL 9 HA VAL 9 -7.008 0.199 -2.431
58 HB VAL 9 HB VAL 9 -7.657 0.859 -4.800
59 HG11 VAL 9 1HG1 VAL 9 -8.360 -1.451 -5.380
60 HG12 VAL 9 2HG1 VAL 9 -8.571 -1.774 -3.658
61 HG13 VAL 9 3HG1 VAL 9 -6.973 -1.386 -4.293
62 HG21 VAL 9 3HG2 VAL 9 -9.982 0.304 -5.453
63 HG22 VAL 9 1HG2 VAL 9 -9.869 1.714 -4.398
64 HG23 VAL 9 2HG2 VAL 9 -10.388 0.161 -3.743
65 H THR 10 H THR 10 -9.744 2.428 -2.542
66 HA THR 10 HA THR 10 -8.072 4.717 -3.059
67 HB THR 10 HB THR 10 -10.998 4.613 -2.305
68 HG1 THR 10 1HG THR 10 -9.635 4.544 -4.790
69 HG21 THR 10 3HG2 THR 10 -11.080 6.876 -3.283
70 HG22 THR 10 1HG2 THR 10 -9.329 6.832 -3.497
71 HG23 THR 10 2HG2 THR 10 -10.021 6.802 -1.875
72 H ALA 11 H ALA 11 -9.752 3.300 -0.312
73 HA ALA 11 HA ALA 11 -9.334 5.431 1.503
74 HB1 ALA 11 1HB ALA 11 -11.023 3.706 1.887
75 HB2 ALA 11 2HB ALA 11 -9.896 3.800 3.240
76 HB3 ALA 11 3HB ALA 11 -9.752 2.496 2.061
77 H GLY 12 H GLY 12 -7.329 2.976 0.237
78 HA2 GLY 12 2HA GLY 12 -5.295 3.509 2.302
79 HA3 GLY 12 1HA GLY 12 -5.335 2.070 1.283
80 H LYS 13 H LYS 13 -6.182 4.145 -0.895
81 HA LYS 13 HA LYS 13 -3.759 4.309 -2.234
82 HB2 LYS 13 2HB LYS 13 -6.337 4.832 -2.883
83 HB3 LYS 13 1HB LYS 13 -5.734 6.474 -2.706
84 HG2 LYS 13 2HG LYS 13 -4.808 4.353 -4.610
85 HG3 LYS 13 1HG LYS 13 -5.507 5.930 -4.979
86 HD2 LYS 13 2HD LYS 13 -3.487 6.931 -3.817
87 HD3 LYS 13 1HD LYS 13 -2.789 5.313 -3.857
88 HE2 LYS 13 2HE LYS 13 -3.663 6.943 -6.242
89 HE3 LYS 13 1HE LYS 13 -2.000 6.632 -5.745
90 HZ1 LYS 13 3HZ LYS 13 -3.958 4.582 -6.629
91 HZ2 LYS 13 1HZ LYS 13 -2.370 4.271 -6.137
92 HZ3 LYS 13 2HZ LYS 13 -2.661 5.169 -7.540
93 H ILE 14 H ILE 14 -5.425 6.548 -0.110
94 HA ILE 14 HA ILE 14 -3.767 8.765 -0.271
95 HB ILE 14 HB ILE 14 -4.480 9.063 2.193
96 HG12 ILE 14 2HG1 ILE 14 -6.381 6.838 1.453
97 HG13 ILE 14 1HG1 ILE 14 -4.936 6.568 2.418
98 HG21 ILE 14 1HG2 ILE 14 -5.533 10.239 0.352
99 HG22 ILE 14 2HG2 ILE 14 -6.752 9.717 1.515
100 HG23 ILE 14 3HG2 ILE 14 -6.539 8.832 0.004
101 HD11 ILE 14 3HD1 ILE 14 -6.864 6.775 3.840
102 HD12 ILE 14 1HD1 ILE 14 -7.256 8.342 3.131
103 HD13 ILE 14 2HD1 ILE 14 -5.789 8.151 4.090
104 H ALA 15 H ALA 15 -3.550 5.843 1.692
105 HA ALA 15 HA ALA 15 -1.248 6.672 3.160
106 HB1 ALA 15 1HB ALA 15 -2.763 4.971 4.026
107 HB2 ALA 15 2HB ALA 15 -1.120 4.346 3.898
108 HB3 ALA 15 3HB ALA 15 -2.331 3.897 2.697
109 H SER 16 H SER 16 -1.755 4.710 0.275
110 HA SER 16 HA SER 16 0.942 3.969 -0.097
111 HB2 SER 16 2HB SER 16 -0.912 2.820 -1.247
112 HB3 SER 16 1HB SER 16 -1.262 4.291 -2.155
113 HG SER 16 HG SER 16 0.332 2.409 -2.894
114 H ASN 17 H ASN 17 -0.810 6.864 -0.559
115 HA ASN 17 HA ASN 17 0.916 8.048 -2.515
116 HB2 ASN 17 2HB ASN 17 -1.367 8.839 -2.336
117 HB3 ASN 17 1HB ASN 17 -1.131 9.259 -0.645
118 HD21 ASN 17 1HD2 ASN 17 1.205 9.846 -3.202
119 HD22 ASN 17 2HD2 ASN 17 1.097 11.568 -3.154
120 H VAL 18 H VAL 18 0.517 8.338 1.002
121 HA VAL 18 HA VAL 18 2.688 10.163 1.325
122 HB VAL 18 HB VAL 18 2.376 9.978 3.649
123 HG11 VAL 18 1HG1 VAL 18 0.043 10.292 3.979
124 HG12 VAL 18 2HG1 VAL 18 -0.351 9.316 2.565
125 HG13 VAL 18 3HG1 VAL 18 0.425 10.888 2.363
126 HG21 VAL 18 3HG2 VAL 18 2.587 7.518 3.783
127 HG22 VAL 18 1HG2 VAL 18 0.916 7.369 3.242
128 HG23 VAL 18 2HG2 VAL 18 1.277 8.146 4.782
129 H GLN 19 H GLN 19 2.341 6.712 1.209
130 HA GLN 19 HA GLN 19 4.794 5.993 2.399
131 HB2 GLN 19 2HB GLN 19 2.784 4.504 1.847
132 HB3 GLN 19 1HB GLN 19 3.434 4.433 0.214
133 HG2 GLN 19 2HG GLN 19 5.613 3.691 1.380
134 HG3 GLN 19 1HG GLN 19 4.555 3.355 2.750
135 HE21 GLN 19 1HE2 GLN 19 3.030 1.714 2.603
136 HE22 GLN 19 2HE2 GLN 19 3.097 0.504 1.374
137 H LYS 20 H LYS 20 3.907 7.074 -0.794
138 HA LYS 20 HA LYS 20 6.225 6.252 -2.169
139 HB2 LYS 20 2HB LYS 20 4.592 6.867 -3.654
140 HB3 LYS 20 1HB LYS 20 4.011 8.178 -2.641
141 HG2 LYS 20 2HG LYS 20 6.684 8.490 -3.886
142 HG3 LYS 20 1HG LYS 20 5.265 8.602 -4.931
143 HD2 LYS 20 2HD LYS 20 4.328 10.327 -3.465
144 HD3 LYS 20 1HD LYS 20 5.752 10.218 -2.430
145 HE2 LYS 20 2HE LYS 20 7.162 10.918 -4.309
146 HE3 LYS 20 1HE LYS 20 5.733 11.035 -5.334
147 HZ1 LYS 20 3HZ LYS 20 6.258 12.648 -2.897
148 HZ2 LYS 20 1HZ LYS 20 4.869 12.750 -3.857
149 HZ3 LYS 20 2HZ LYS 20 6.371 13.197 -4.493
150 H LYS 21 H LYS 21 5.461 9.013 -0.167
151 HA LYS 21 HA LYS 21 7.777 10.533 -0.785
152 HB2 LYS 21 2HB LYS 21 5.917 10.584 1.598
153 HB3 LYS 21 1HB LYS 21 7.163 11.776 1.288
154 HG2 LYS 21 2HG LYS 21 6.016 12.210 -0.925
155 HG3 LYS 21 1HG LYS 21 4.679 11.245 -0.299
156 HD2 LYS 21 2HD LYS 21 5.801 13.631 1.154
157 HD3 LYS 21 1HD LYS 21 4.478 13.749 -0.007
158 HE2 LYS 21 2HE LYS 21 3.458 13.611 2.114
159 HE3 LYS 21 1HE LYS 21 3.276 12.014 1.391
160 HZ1 LYS 21 3HZ LYS 21 3.993 12.052 3.775
161 HZ2 LYS 21 1HZ LYS 21 5.472 12.693 3.262
162 HZ3 LYS 21 2HZ LYS 21 4.990 11.157 2.745
163 H LEU 22 H LEU 22 7.147 7.787 1.137
164 HA LEU 22 HA LEU 22 9.388 8.109 2.924
165 HB2 LEU 22 2HB LEU 22 7.060 6.616 2.957
166 HB3 LEU 22 1HB LEU 22 8.298 5.415 2.649
167 HG LEU 22 HG LEU 22 8.221 7.308 5.000
168 HD11 LEU 22 1HD1 LEU 22 6.531 5.553 5.114
169 HD12 LEU 22 2HD1 LEU 22 7.802 5.292 6.310
170 HD13 LEU 22 3HD1 LEU 22 7.772 4.332 4.830
171 HD21 LEU 22 3HD2 LEU 22 10.166 5.106 4.307
172 HD22 LEU 22 1HD2 LEU 22 10.114 5.978 5.840
173 HD23 LEU 22 2HD2 LEU 22 10.511 6.836 4.352
174 H THR 23 H THR 23 8.705 6.643 -0.132
175 HA THR 23 HA THR 23 10.845 4.823 -0.295
176 HB THR 23 HB THR 23 9.565 6.301 -2.593
177 HG1 THR 23 1HG THR 23 7.861 5.334 -1.639
178 HG21 THR 23 3HG2 THR 23 11.567 5.056 -3.207
179 HG22 THR 23 1HG2 THR 23 10.133 4.263 -3.857
180 HG23 THR 23 2HG2 THR 23 10.928 3.610 -2.425
181 H ARG 24 H ARG 24 10.533 8.209 -1.333
182 HA ARG 24 HA ARG 24 12.970 8.531 -2.597
183 HB2 ARG 24 2HB ARG 24 11.436 10.496 -0.889
184 HB3 ARG 24 1HB ARG 24 12.810 10.936 -1.893
185 HG2 ARG 24 2HG ARG 24 10.266 9.707 -2.932
186 HG3 ARG 24 1HG ARG 24 10.618 11.435 -2.924
187 HD2 ARG 24 2HD ARG 24 12.603 11.011 -4.320
188 HD3 ARG 24 1HD ARG 24 12.188 9.298 -4.364
189 HE ARG 24 HE ARG 24 9.975 10.738 -5.263
190 HH11 ARG 24 1HH1 ARG 24 13.252 10.073 -6.244
191 HH12 ARG 24 2HH1 ARG 24 12.914 10.230 -7.935
192 HH21 ARG 24 1HH2 ARG 24 9.521 10.947 -7.486
193 HH22 ARG 24 2HH2 ARG 24 10.792 10.728 -8.642
194 H ALA 25 H ALA 25 12.169 8.631 0.796
195 HA ALA 25 HA ALA 25 14.837 9.279 1.659
196 HB1 ALA 25 1HB ALA 25 12.465 8.253 3.223
197 HB2 ALA 25 2HB ALA 25 12.926 9.943 3.018
198 HB3 ALA 25 3HB ALA 25 13.971 8.845 3.923
199 H GLN 26 H GLN 26 12.888 6.424 1.207
200 HA GLN 26 HA GLN 26 14.449 4.526 2.534
201 HB2 GLN 26 2HB GLN 26 12.081 4.381 1.409
202 HB3 GLN 26 1HB GLN 26 12.996 3.879 -0.006
203 HG2 GLN 26 2HG GLN 26 13.958 2.031 1.253
204 HG3 GLN 26 1HG GLN 26 13.065 2.543 2.686
205 HE21 GLN 26 1HE2 GLN 26 12.973 0.021 1.203
206 HE22 GLN 26 2HE2 GLN 26 11.326 -0.193 0.730
207 H GLU 27 H GLU 27 14.803 6.054 -0.583
208 HA GLU 27 HA GLU 27 16.707 4.189 -1.615
209 HB2 GLU 27 2HB GLU 27 15.270 6.432 -2.587
210 HB3 GLU 27 1HB GLU 27 16.978 6.759 -2.838
211 HG2 GLU 27 2HG GLU 27 17.185 4.577 -3.980
212 HG3 GLU 27 1HG GLU 27 15.444 4.362 -3.806
213 H LYS 28 H LYS 28 16.882 7.219 0.152
214 HA LYS 28 HA LYS 28 19.566 7.835 -0.178
215 HB2 LYS 28 2HB LYS 28 17.574 8.333 2.008
216 HB3 LYS 28 1HB LYS 28 19.235 8.864 2.177
217 HG2 LYS 28 2HG LYS 28 17.413 9.649 -0.082
218 HG3 LYS 28 1HG LYS 28 17.716 10.625 1.356
219 HD2 LYS 28 2HD LYS 28 20.136 10.619 0.774
220 HD3 LYS 28 1HD LYS 28 19.730 9.784 -0.727
221 HE2 LYS 28 2HE LYS 28 19.980 12.179 -1.101
222 HE3 LYS 28 1HE LYS 28 18.320 11.663 -1.395
223 HZ1 LYS 28 3HZ LYS 28 18.398 13.722 -0.138
224 HZ2 LYS 28 1HZ LYS 28 19.309 12.978 1.078
225 HZ3 LYS 28 2HZ LYS 28 17.717 12.488 0.795
226 H VAL 29 H VAL 29 18.038 6.004 2.464
227 HA VAL 29 HA VAL 29 20.389 5.327 3.814
228 HB VAL 29 HB VAL 29 19.040 3.547 4.870
229 HG11 VAL 29 1HG1 VAL 29 18.959 5.800 5.758
230 HG12 VAL 29 2HG1 VAL 29 17.367 5.052 5.882
231 HG13 VAL 29 3HG1 VAL 29 17.691 6.230 4.610
232 HG21 VAL 29 3HG2 VAL 29 16.671 3.322 4.289
233 HG22 VAL 29 1HG2 VAL 29 17.718 2.867 2.944
234 HG23 VAL 29 2HG2 VAL 29 16.904 4.431 2.937
235 H LEU 30 H LEU 30 18.623 3.653 1.272
236 HA LEU 30 HA LEU 30 19.969 1.224 1.288
237 HB2 LEU 30 2HB LEU 30 18.331 2.731 -0.618
238 HB3 LEU 30 1HB LEU 30 19.406 1.556 -1.349
239 HG LEU 30 HG LEU 30 17.386 0.924 0.807
240 HD11 LEU 30 1HD1 LEU 30 17.263 0.403 -2.160
241 HD12 LEU 30 2HD1 LEU 30 16.302 1.594 -1.281
242 HD13 LEU 30 3HD1 LEU 30 16.085 -0.126 -0.958
243 HD21 LEU 30 3HD2 LEU 30 17.859 -1.401 0.232
244 HD22 LEU 30 1HD2 LEU 30 19.314 -0.577 0.792
245 HD23 LEU 30 2HD2 LEU 30 19.076 -0.873 -0.931
246 H GLN 31 H GLN 31 21.008 4.308 0.036
247 HA GLN 31 HA GLN 31 23.123 3.124 -1.544
248 HB2 GLN 31 2HB GLN 31 22.593 6.032 -0.949
249 HB3 GLN 31 1HB GLN 31 23.707 5.407 -2.157
250 HG2 GLN 31 2HG GLN 31 21.641 4.246 -3.155
251 HG3 GLN 31 1HG GLN 31 20.720 5.368 -2.159
252 HE21 GLN 31 1HE2 GLN 31 22.848 5.038 -4.878
253 HE22 GLN 31 2HE2 GLN 31 22.615 6.627 -5.514
254 H LYS 32 H LYS 32 22.755 4.414 1.627
255 HA LYS 32 HA LYS 32 25.653 4.629 1.964
256 HB2 LYS 32 2HB LYS 32 25.069 5.547 4.221
257 HB3 LYS 32 1HB LYS 32 24.486 6.495 2.863
258 HG2 LYS 32 2HG LYS 32 22.636 6.513 4.182
259 HG3 LYS 32 1HG LYS 32 22.308 5.069 3.226
260 HD2 LYS 32 2HD LYS 32 21.858 4.559 5.520
261 HD3 LYS 32 1HD LYS 32 23.337 3.715 5.058
262 HE2 LYS 32 2HE LYS 32 23.558 4.732 7.262
263 HE3 LYS 32 1HE LYS 32 24.670 5.469 6.111
264 HZ1 LYS 32 3HZ LYS 32 23.582 7.129 7.494
265 HZ2 LYS 32 1HZ LYS 32 22.063 6.612 6.959
266 HZ3 LYS 32 2HZ LYS 32 23.145 7.323 5.872
267 H LEU 33 H LEU 33 23.052 2.514 2.645
268 HA LEU 33 HA LEU 33 24.403 1.123 4.795
269 HB2 LEU 33 2HB LEU 33 21.842 0.636 3.288
270 HB3 LEU 33 1HB LEU 33 22.464 -0.503 4.465
271 HG LEU 33 HG LEU 33 21.690 2.360 5.038
272 HD11 LEU 33 1HD1 LEU 33 20.314 -0.230 5.731
273 HD12 LEU 33 2HD1 LEU 33 19.757 0.963 4.560
274 HD13 LEU 33 3HD1 LEU 33 19.824 1.375 6.273
275 HD21 LEU 33 3HD2 LEU 33 21.970 1.709 7.395
276 HD22 LEU 33 1HD2 LEU 33 23.483 1.626 6.494
277 HD23 LEU 33 2HD2 LEU 33 22.601 0.147 6.874
278 H TYR 34 H TYR 34 23.628 0.618 1.402
279 HA TYR 34 HA TYR 34 25.404 -1.729 1.378
280 HB2 TYR 34 2HB TYR 34 23.146 -0.988 -0.494
281 HB3 TYR 34 1HB TYR 34 24.205 -2.378 -0.705
282 HD1 TYR 34 2HD TYR 34 24.007 -4.327 0.737
283 HD2 TYR 34 1HD TYR 34 21.444 -0.966 1.241
284 HE1 TYR 34 2HE TYR 34 22.518 -5.681 2.149
285 HE2 TYR 34 1HE TYR 34 19.949 -2.312 2.655
286 HH TYR 34 HH TYR 34 20.831 -5.330 3.914
Start of MODEL 8
1 H1 MET 1 1HT MET 1 5.933 -14.621 -1.768
2 H2 MET 1 2HT MET 1 5.592 -14.295 -0.143
3 H3 MET 1 3HT MET 1 6.827 -13.452 -0.934
4 HA MET 1 HA MET 1 4.841 -12.096 -0.673
5 HB2 MET 1 2HB MET 1 5.433 -12.878 -3.535
6 HB3 MET 1 1HB MET 1 4.667 -11.382 -3.018
7 HG2 MET 1 2HG MET 1 6.711 -10.765 -1.814
8 HG3 MET 1 1HG MET 1 7.476 -12.251 -2.375
9 HE1 MET 1 2HE MET 1 8.812 -9.402 -2.818
10 HE2 MET 1 3HE MET 1 9.349 -9.564 -4.489
11 HE3 MET 1 1HE MET 1 9.507 -10.923 -3.377
12 H ALA 2 H ALA 2 2.670 -11.649 -1.416
13 HA ALA 2 HA ALA 2 1.157 -14.064 -2.160
14 HB1 ALA 2 1HB ALA 2 0.338 -12.024 -0.094
15 HB2 ALA 2 2HB ALA 2 0.882 -13.671 0.230
16 HB3 ALA 2 3HB ALA 2 -0.631 -13.395 -0.632
17 H GLU 3 H GLU 3 -1.047 -13.540 -3.004
18 HA GLU 3 HA GLU 3 -1.196 -10.906 -4.285
19 HB2 GLU 3 2HB GLU 3 -1.479 -13.561 -5.702
20 HB3 GLU 3 1HB GLU 3 -1.899 -12.008 -6.411
21 HG2 GLU 3 2HG GLU 3 0.405 -11.276 -6.236
22 HG3 GLU 3 1HG GLU 3 0.844 -12.794 -5.452
23 H MET 4 H MET 4 -2.852 -10.389 -2.821
24 HA MET 4 HA MET 4 -5.284 -12.005 -2.898
25 HB2 MET 4 2HB MET 4 -4.362 -11.221 -0.715
26 HB3 MET 4 1HB MET 4 -4.663 -9.566 -1.222
27 HG2 MET 4 2HG MET 4 -7.043 -10.011 -1.337
28 HG3 MET 4 1HG MET 4 -6.766 -11.694 -0.890
29 HE1 MET 4 3HE MET 4 -8.840 -9.830 0.656
30 HE2 MET 4 1HE MET 4 -8.475 -10.275 2.323
31 HE3 MET 4 2HE MET 4 -8.518 -11.513 1.069
32 H GLY 5 H GLY 5 -7.383 -10.887 -3.146
33 HA2 GLY 5 2HA GLY 5 -7.612 -9.541 -5.553
34 HA3 GLY 5 1HA GLY 5 -8.839 -9.535 -4.297
35 H SER 6 H SER 6 -8.904 -7.816 -2.803
36 HA SER 6 HA SER 6 -7.036 -5.675 -2.851
37 HB2 SER 6 2HB SER 6 -8.536 -3.948 -3.815
38 HB3 SER 6 1HB SER 6 -8.076 -5.175 -4.996
39 HG SER 6 HG SER 6 -10.490 -4.434 -4.404
40 H LYS 7 H LYS 7 -7.100 -5.818 -0.639
41 HA LYS 7 HA LYS 7 -9.665 -5.187 0.659
42 HB2 LYS 7 2HB LYS 7 -8.727 -6.176 2.692
43 HB3 LYS 7 1HB LYS 7 -8.697 -7.324 1.361
44 HG2 LYS 7 2HG LYS 7 -6.594 -7.684 2.036
45 HG3 LYS 7 1HG LYS 7 -6.242 -6.218 1.129
46 HD2 LYS 7 2HD LYS 7 -5.225 -5.904 3.223
47 HD3 LYS 7 1HD LYS 7 -6.711 -4.952 3.281
48 HE2 LYS 7 2HE LYS 7 -7.824 -6.813 4.436
49 HE3 LYS 7 1HE LYS 7 -6.308 -7.707 4.419
50 HZ1 LYS 7 3HZ LYS 7 -6.779 -5.114 5.789
51 HZ2 LYS 7 1HZ LYS 7 -5.306 -5.947 5.753
52 HZ3 LYS 7 2HZ LYS 7 -6.641 -6.622 6.541
53 H GLY 8 H GLY 8 -7.112 -3.630 -0.467
54 HA2 GLY 8 2HA GLY 8 -7.462 -1.384 1.268
55 HA3 GLY 8 1HA GLY 8 -5.908 -2.166 1.523
56 H VAL 9 H VAL 9 -7.590 -1.939 -1.553
57 HA VAL 9 HA VAL 9 -5.284 -0.856 -2.842
58 HB VAL 9 HB VAL 9 -7.167 -2.379 -3.795
59 HG11 VAL 9 1HG1 VAL 9 -9.002 -0.834 -3.347
60 HG12 VAL 9 2HG1 VAL 9 -8.870 -1.225 -5.062
61 HG13 VAL 9 3HG1 VAL 9 -8.284 0.326 -4.463
62 HG21 VAL 9 3HG2 VAL 9 -5.984 -0.135 -5.418
63 HG22 VAL 9 1HG2 VAL 9 -6.616 -1.651 -6.061
64 HG23 VAL 9 2HG2 VAL 9 -5.186 -1.659 -5.028
65 H THR 10 H THR 10 -8.375 0.374 -1.806
66 HA THR 10 HA THR 10 -7.654 3.079 -2.681
67 HB THR 10 HB THR 10 -10.315 2.085 -1.646
68 HG1 THR 10 1HG THR 10 -9.330 2.455 -4.292
69 HG21 THR 10 3HG2 THR 10 -11.198 4.167 -2.584
70 HG22 THR 10 1HG2 THR 10 -9.569 4.649 -3.058
71 HG23 THR 10 2HG2 THR 10 -9.980 4.495 -1.350
72 H ALA 11 H ALA 11 -8.601 1.233 0.171
73 HA ALA 11 HA ALA 11 -8.588 3.448 1.963
74 HB1 ALA 11 1HB ALA 11 -8.695 1.766 3.730
75 HB2 ALA 11 2HB ALA 11 -8.333 0.500 2.557
76 HB3 ALA 11 3HB ALA 11 -9.845 1.401 2.444
77 H GLY 12 H GLY 12 -6.188 1.400 0.612
78 HA2 GLY 12 2HA GLY 12 -4.201 2.392 2.544
79 HA3 GLY 12 1HA GLY 12 -3.980 0.993 1.496
80 H LYS 13 H LYS 13 -5.427 2.957 -0.518
81 HA LYS 13 HA LYS 13 -3.191 3.613 -2.036
82 HB2 LYS 13 2HB LYS 13 -5.883 3.674 -2.441
83 HB3 LYS 13 1HB LYS 13 -5.545 5.394 -2.279
84 HG2 LYS 13 2HG LYS 13 -4.477 3.470 -4.314
85 HG3 LYS 13 1HG LYS 13 -5.419 4.939 -4.571
86 HD2 LYS 13 2HD LYS 13 -3.471 6.204 -3.571
87 HD3 LYS 13 1HD LYS 13 -2.554 4.703 -3.689
88 HE2 LYS 13 2HE LYS 13 -2.126 6.135 -5.616
89 HE3 LYS 13 1HE LYS 13 -2.939 4.648 -6.101
90 HZ1 LYS 13 3HZ LYS 13 -4.237 7.292 -5.726
91 HZ2 LYS 13 1HZ LYS 13 -5.031 5.865 -6.169
92 HZ3 LYS 13 2HZ LYS 13 -3.892 6.558 -7.210
93 H ILE 14 H ILE 14 -5.082 5.443 0.288
94 HA ILE 14 HA ILE 14 -3.862 7.927 0.116
95 HB ILE 14 HB ILE 14 -4.462 8.043 2.611
96 HG12 ILE 14 2HG1 ILE 14 -5.944 5.494 1.976
97 HG13 ILE 14 1HG1 ILE 14 -4.382 5.490 2.781
98 HG21 ILE 14 1HG2 ILE 14 -5.868 8.984 0.870
99 HG22 ILE 14 2HG2 ILE 14 -6.864 8.222 2.110
100 HG23 ILE 14 3HG2 ILE 14 -6.589 7.402 0.572
101 HD11 ILE 14 3HD1 ILE 14 -6.908 6.771 3.787
102 HD12 ILE 14 1HD1 ILE 14 -5.339 6.855 4.586
103 HD13 ILE 14 2HD1 ILE 14 -6.149 5.299 4.396
104 H ALA 15 H ALA 15 -2.982 5.012 1.883
105 HA ALA 15 HA ALA 15 -0.795 6.170 3.291
106 HB1 ALA 15 1HB ALA 15 -1.324 3.271 2.654
107 HB2 ALA 15 2HB ALA 15 -1.912 4.139 4.072
108 HB3 ALA 15 3HB ALA 15 -0.183 3.879 3.851
109 H SER 16 H SER 16 -1.082 4.326 0.293
110 HA SER 16 HA SER 16 1.665 4.140 -0.271
111 HB2 SER 16 2HB SER 16 -0.669 4.264 -2.203
112 HB3 SER 16 1HB SER 16 0.961 3.718 -2.599
113 HG SER 16 HG SER 16 -1.053 2.441 -1.180
114 H ASN 17 H ASN 17 -0.585 6.718 -0.411
115 HA ASN 17 HA ASN 17 0.830 8.355 -2.293
116 HB2 ASN 17 2HB ASN 17 -1.592 8.624 -1.895
117 HB3 ASN 17 1HB ASN 17 -1.257 9.132 -0.243
118 HD21 ASN 17 1HD2 ASN 17 -1.115 10.006 -3.596
119 HD22 ASN 17 2HD2 ASN 17 -0.803 11.688 -3.357
120 H VAL 18 H VAL 18 0.537 8.258 1.244
121 HA VAL 18 HA VAL 18 2.362 10.421 1.660
122 HB VAL 18 HB VAL 18 2.142 10.039 3.966
123 HG11 VAL 18 1HG1 VAL 18 0.031 10.685 2.815
124 HG12 VAL 18 2HG1 VAL 18 -0.214 9.855 4.352
125 HG13 VAL 18 3HG1 VAL 18 -0.444 8.985 2.835
126 HG21 VAL 18 3HG2 VAL 18 1.382 7.961 4.978
127 HG22 VAL 18 1HG2 VAL 18 2.803 7.674 3.975
128 HG23 VAL 18 2HG2 VAL 18 1.200 7.232 3.383
129 H GLN 19 H GLN 19 2.612 6.975 1.298
130 HA GLN 19 HA GLN 19 5.185 6.630 2.406
131 HB2 GLN 19 2HB GLN 19 3.468 4.832 1.817
132 HB3 GLN 19 1HB GLN 19 4.043 4.979 0.160
133 HG2 GLN 19 2HG GLN 19 6.378 4.603 1.245
134 HG3 GLN 19 1HG GLN 19 5.428 3.933 2.569
135 HE21 GLN 19 1HE2 GLN 19 7.297 2.621 0.737
136 HE22 GLN 19 2HE2 GLN 19 6.404 1.351 -0.020
137 H LYS 20 H LYS 20 4.034 7.626 -0.747
138 HA LYS 20 HA LYS 20 6.409 7.318 -2.203
139 HB2 LYS 20 2HB LYS 20 4.678 7.763 -3.625
140 HB3 LYS 20 1HB LYS 20 3.892 8.857 -2.498
141 HG2 LYS 20 2HG LYS 20 6.426 9.761 -3.742
142 HG3 LYS 20 1HG LYS 20 4.985 9.693 -4.758
143 HD2 LYS 20 2HD LYS 20 3.785 11.104 -3.173
144 HD3 LYS 20 1HD LYS 20 5.201 11.144 -2.121
145 HE2 LYS 20 2HE LYS 20 5.068 12.211 -4.941
146 HE3 LYS 20 1HE LYS 20 5.008 13.182 -3.470
147 HZ1 LYS 20 3HZ LYS 20 7.285 11.479 -4.329
148 HZ2 LYS 20 1HZ LYS 20 7.227 12.400 -2.910
149 HZ3 LYS 20 2HZ LYS 20 7.223 13.167 -4.417
150 H LYS 21 H LYS 21 5.289 9.799 -0.017
151 HA LYS 21 HA LYS 21 7.316 11.705 -0.600
152 HB2 LYS 21 2HB LYS 21 5.366 11.316 1.654
153 HB3 LYS 21 1HB LYS 21 6.587 12.572 1.726
154 HG2 LYS 21 2HG LYS 21 4.544 12.294 -0.464
155 HG3 LYS 21 1HG LYS 21 4.403 13.378 0.921
156 HD2 LYS 21 2HD LYS 21 6.483 14.501 0.220
157 HD3 LYS 21 1HD LYS 21 6.555 13.447 -1.194
158 HE2 LYS 21 2HE LYS 21 4.408 14.334 -1.961
159 HE3 LYS 21 1HE LYS 21 4.335 15.384 -0.547
160 HZ1 LYS 21 3HZ LYS 21 6.393 15.487 -2.685
161 HZ2 LYS 21 1HZ LYS 21 6.356 16.480 -1.315
162 HZ3 LYS 21 2HZ LYS 21 5.128 16.587 -2.472
163 H LEU 22 H LEU 22 7.139 8.849 1.315
164 HA LEU 22 HA LEU 22 9.485 9.493 2.893
165 HB2 LEU 22 2HB LEU 22 7.608 7.152 2.781
166 HB3 LEU 22 1HB LEU 22 9.093 7.095 3.705
167 HG LEU 22 HG LEU 22 6.865 9.082 4.135
168 HD11 LEU 22 1HD1 LEU 22 6.476 7.817 6.212
169 HD12 LEU 22 2HD1 LEU 22 7.658 6.620 5.679
170 HD13 LEU 22 3HD1 LEU 22 6.169 6.856 4.764
171 HD21 LEU 22 3HD2 LEU 22 9.131 9.903 4.702
172 HD22 LEU 22 1HD2 LEU 22 9.324 8.528 5.790
173 HD23 LEU 22 2HD2 LEU 22 8.081 9.738 6.111
174 H THR 23 H THR 23 8.604 7.707 0.073
175 HA THR 23 HA THR 23 10.658 5.873 -0.181
176 HB THR 23 HB THR 23 9.458 7.487 -2.433
177 HG1 THR 23 1HG THR 23 7.768 6.532 -1.349
178 HG21 THR 23 3HG2 THR 23 9.936 5.475 -3.778
179 HG22 THR 23 1HG2 THR 23 10.726 4.746 -2.379
180 HG23 THR 23 2HG2 THR 23 11.403 6.197 -3.119
181 H ARG 24 H ARG 24 10.607 9.282 -1.216
182 HA ARG 24 HA ARG 24 13.067 9.403 -2.471
183 HB2 ARG 24 2HB ARG 24 11.343 11.237 -2.342
184 HB3 ARG 24 1HB ARG 24 11.933 11.580 -0.725
185 HG2 ARG 24 2HG ARG 24 12.928 13.130 -2.239
186 HG3 ARG 24 1HG ARG 24 14.176 12.012 -1.684
187 HD2 ARG 24 2HD ARG 24 13.732 10.673 -3.768
188 HD3 ARG 24 1HD ARG 24 12.745 12.020 -4.330
189 HE ARG 24 HE ARG 24 15.430 12.736 -3.547
190 HH11 ARG 24 1HH1 ARG 24 13.340 11.720 -6.144
191 HH12 ARG 24 2HH1 ARG 24 14.379 12.327 -7.391
192 HH21 ARG 24 1HH2 ARG 24 16.805 13.536 -5.181
193 HH22 ARG 24 2HH2 ARG 24 16.349 13.359 -6.842
194 H ALA 25 H ALA 25 12.278 9.616 0.927
195 HA ALA 25 HA ALA 25 14.983 10.114 1.773
196 HB1 ALA 25 1HB ALA 25 13.112 10.915 3.116
197 HB2 ALA 25 2HB ALA 25 14.104 9.790 4.043
198 HB3 ALA 25 3HB ALA 25 12.565 9.257 3.366
199 H GLN 26 H GLN 26 12.889 7.379 1.341
200 HA GLN 26 HA GLN 26 14.423 5.443 2.708
201 HB2 GLN 26 2HB GLN 26 12.192 4.863 2.362
202 HB3 GLN 26 1HB GLN 26 12.206 5.397 0.687
203 HG2 GLN 26 2HG GLN 26 13.643 3.469 0.133
204 HG3 GLN 26 1HG GLN 26 13.491 2.917 1.800
205 HE21 GLN 26 1HE2 GLN 26 11.512 2.121 2.524
206 HE22 GLN 26 2HE2 GLN 26 10.268 1.629 1.432
207 H GLU 27 H GLU 27 14.569 6.814 -0.492
208 HA GLU 27 HA GLU 27 16.108 4.772 -1.711
209 HB2 GLU 27 2HB GLU 27 14.909 7.187 -2.504
210 HB3 GLU 27 1HB GLU 27 16.623 7.365 -2.851
211 HG2 GLU 27 2HG GLU 27 14.893 5.086 -3.780
212 HG3 GLU 27 1HG GLU 27 15.351 6.483 -4.754
213 H LYS 28 H LYS 28 16.946 7.767 -0.051
214 HA LYS 28 HA LYS 28 19.675 7.811 -0.598
215 HB2 LYS 28 2HB LYS 28 17.990 8.856 1.653
216 HB3 LYS 28 1HB LYS 28 19.725 9.104 1.624
217 HG2 LYS 28 2HG LYS 28 17.803 10.004 -0.508
218 HG3 LYS 28 1HG LYS 28 18.493 11.031 0.749
219 HD2 LYS 28 2HD LYS 28 20.740 10.575 -0.123
220 HD3 LYS 28 1HD LYS 28 20.040 9.557 -1.384
221 HE2 LYS 28 2HE LYS 28 18.790 11.509 -2.224
222 HE3 LYS 28 1HE LYS 28 19.567 12.512 -0.999
223 HZ1 LYS 28 3HZ LYS 28 21.712 11.979 -1.994
224 HZ2 LYS 28 1HZ LYS 28 20.686 12.716 -3.119
225 HZ3 LYS 28 2HZ LYS 28 20.951 11.046 -3.181
226 H VAL 29 H VAL 29 17.957 6.466 2.213
227 HA VAL 29 HA VAL 29 20.270 5.460 3.481
228 HB VAL 29 HB VAL 29 18.696 4.156 4.865
229 HG11 VAL 29 1HG1 VAL 29 17.935 7.037 4.415
230 HG12 VAL 29 2HG1 VAL 29 19.234 6.451 5.455
231 HG13 VAL 29 3HG1 VAL 29 17.555 6.091 5.856
232 HG21 VAL 29 3HG2 VAL 29 17.029 3.612 3.188
233 HG22 VAL 29 1HG2 VAL 29 16.595 5.314 3.042
234 HG23 VAL 29 2HG2 VAL 29 16.280 4.451 4.546
235 H LEU 30 H LEU 30 17.871 3.943 1.363
236 HA LEU 30 HA LEU 30 18.677 1.303 1.568
237 HB2 LEU 30 2HB LEU 30 17.098 2.881 -0.257
238 HB3 LEU 30 1HB LEU 30 17.981 1.621 -1.098
239 HG LEU 30 HG LEU 30 17.026 -0.047 0.481
240 HD11 LEU 30 1HD1 LEU 30 15.102 0.597 1.848
241 HD12 LEU 30 2HD1 LEU 30 15.359 2.286 1.412
242 HD13 LEU 30 3HD1 LEU 30 16.571 1.427 2.361
243 HD21 LEU 30 3HD2 LEU 30 16.041 0.357 -1.708
244 HD22 LEU 30 1HD2 LEU 30 15.015 1.613 -1.018
245 HD23 LEU 30 2HD2 LEU 30 14.813 -0.065 -0.514
246 H GLN 31 H GLN 31 20.192 3.931 -0.158
247 HA GLN 31 HA GLN 31 21.820 2.336 -1.847
248 HB2 GLN 31 2HB GLN 31 22.113 5.186 -0.914
249 HB3 GLN 31 1HB GLN 31 23.140 4.442 -2.131
250 HG2 GLN 31 2HG GLN 31 20.157 4.584 -2.399
251 HG3 GLN 31 1HG GLN 31 21.229 5.860 -2.969
252 HE21 GLN 31 1HE2 GLN 31 20.147 2.595 -3.433
253 HE22 GLN 31 2HE2 GLN 31 20.840 2.369 -4.999
254 H LYS 32 H LYS 32 22.114 3.424 1.417
255 HA LYS 32 HA LYS 32 24.858 2.391 1.544
256 HB2 LYS 32 2HB LYS 32 24.956 3.617 3.732
257 HB3 LYS 32 1HB LYS 32 24.767 4.636 2.315
258 HG2 LYS 32 2HG LYS 32 23.276 5.594 3.760
259 HG3 LYS 32 1HG LYS 32 22.231 4.482 2.876
260 HD2 LYS 32 2HD LYS 32 21.644 4.167 5.118
261 HD3 LYS 32 1HD LYS 32 22.725 2.819 4.768
262 HE2 LYS 32 2HE LYS 32 23.659 5.396 6.009
263 HE3 LYS 32 1HE LYS 32 23.109 4.019 6.960
264 HZ1 LYS 32 3HZ LYS 32 24.850 2.687 5.815
265 HZ2 LYS 32 1HZ LYS 32 25.463 3.918 6.800
266 HZ3 LYS 32 2HZ LYS 32 25.435 4.115 5.121
267 H LEU 33 H LEU 33 21.724 1.498 2.207
268 HA LEU 33 HA LEU 33 22.353 -0.062 4.581
269 HB2 LEU 33 2HB LEU 33 20.055 1.168 3.668
270 HB3 LEU 33 1HB LEU 33 19.758 -0.523 3.319
271 HG LEU 33 HG LEU 33 18.829 0.031 5.476
272 HD11 LEU 33 1HD1 LEU 33 21.333 -1.626 5.717
273 HD12 LEU 33 2HD1 LEU 33 19.735 -2.198 5.240
274 HD13 LEU 33 3HD1 LEU 33 20.008 -1.609 6.880
275 HD21 LEU 33 3HD2 LEU 33 21.619 0.892 6.235
276 HD22 LEU 33 1HD2 LEU 33 20.240 0.785 7.329
277 HD23 LEU 33 2HD2 LEU 33 20.229 1.953 6.007
278 H TYR 34 H TYR 34 21.724 -0.476 1.162
279 HA TYR 34 HA TYR 34 22.267 -3.356 1.446
280 HB2 TYR 34 2HB TYR 34 20.600 -1.904 -0.613
281 HB3 TYR 34 1HB TYR 34 21.031 -3.606 -0.719
282 HD1 TYR 34 1HD TYR 34 18.979 -1.125 1.020
283 HD2 TYR 34 2HD TYR 34 20.009 -5.244 0.758
284 HE1 TYR 34 1HE TYR 34 17.011 -1.697 2.378
285 HE2 TYR 34 2HE TYR 34 18.043 -5.827 2.114
286 HH TYR 34 HH TYR 34 15.547 -3.626 2.773
Start of MODEL 9
1 H1 MET 1 1HT MET 1 -9.895 -7.669 -11.538
2 H2 MET 1 2HT MET 1 -10.703 -9.038 -12.116
3 H3 MET 1 3HT MET 1 -11.487 -7.978 -11.056
4 HA MET 1 HA MET 1 -10.575 -7.302 -13.789
5 HB2 MET 1 2HB MET 1 -12.978 -7.251 -14.356
6 HB3 MET 1 1HB MET 1 -12.441 -8.854 -13.876
7 HG2 MET 1 2HG MET 1 -13.765 -6.965 -11.958
8 HG3 MET 1 1HG MET 1 -14.679 -8.062 -12.991
9 HE1 MET 1 2HE MET 1 -12.914 -10.636 -13.112
10 HE2 MET 1 3HE MET 1 -14.644 -10.694 -12.773
11 HE3 MET 1 1HE MET 1 -13.514 -11.567 -11.739
12 H ALA 2 H ALA 2 -10.460 -6.056 -10.952
13 HA ALA 2 HA ALA 2 -10.605 -3.989 -10.022
14 HB1 ALA 2 1HB ALA 2 -10.395 -2.076 -11.516
15 HB2 ALA 2 2HB ALA 2 -10.814 -3.095 -12.894
16 HB3 ALA 2 3HB ALA 2 -9.315 -3.381 -12.009
17 H GLU 3 H GLU 3 -13.008 -5.403 -10.073
18 HA GLU 3 HA GLU 3 -14.968 -3.239 -10.469
19 HB2 GLU 3 2HB GLU 3 -15.347 -5.122 -12.001
20 HB3 GLU 3 1HB GLU 3 -15.434 -6.223 -10.632
21 HG2 GLU 3 2HG GLU 3 -17.647 -5.668 -11.475
22 HG3 GLU 3 1HG GLU 3 -17.424 -5.094 -9.823
23 H MET 4 H MET 4 -14.644 -2.445 -8.367
24 HA MET 4 HA MET 4 -14.782 -2.352 -6.084
25 HB2 MET 4 2HB MET 4 -17.320 -3.572 -7.073
26 HB3 MET 4 1HB MET 4 -17.094 -3.320 -5.346
27 HG2 MET 4 2HG MET 4 -16.928 -1.190 -7.469
28 HG3 MET 4 1HG MET 4 -18.313 -1.485 -6.417
29 HE1 MET 4 3HE MET 4 -18.195 1.154 -5.747
30 HE2 MET 4 1HE MET 4 -16.795 1.317 -6.807
31 HE3 MET 4 2HE MET 4 -16.719 1.914 -5.149
32 H GLY 5 H GLY 5 -12.979 -3.776 -5.675
33 HA2 GLY 5 2HA GLY 5 -13.841 -6.176 -4.231
34 HA3 GLY 5 1HA GLY 5 -12.624 -6.364 -5.484
35 H SER 6 H SER 6 -12.528 -3.399 -3.792
36 HA SER 6 HA SER 6 -10.255 -4.385 -2.196
37 HB2 SER 6 2HB SER 6 -10.677 -1.629 -3.371
38 HB3 SER 6 1HB SER 6 -9.308 -2.115 -2.371
39 HG SER 6 HG SER 6 -9.728 -3.784 -4.491
40 H LYS 7 H LYS 7 -13.330 -3.036 -2.107
41 HA LYS 7 HA LYS 7 -14.572 -1.902 -0.559
42 HB2 LYS 7 2HB LYS 7 -14.676 -3.072 1.597
43 HB3 LYS 7 1HB LYS 7 -14.674 -4.186 0.240
44 HG2 LYS 7 2HG LYS 7 -12.376 -4.750 0.632
45 HG3 LYS 7 1HG LYS 7 -12.242 -3.508 1.876
46 HD2 LYS 7 2HD LYS 7 -12.485 -5.707 2.873
47 HD3 LYS 7 1HD LYS 7 -13.892 -4.707 3.233
48 HE2 LYS 7 2HE LYS 7 -15.142 -5.820 1.452
49 HE3 LYS 7 1HE LYS 7 -13.730 -6.803 1.067
50 HZ1 LYS 7 3HZ LYS 7 -15.178 -6.825 3.661
51 HZ2 LYS 7 1HZ LYS 7 -13.851 -7.794 3.257
52 HZ3 LYS 7 2HZ LYS 7 -15.324 -7.997 2.450
53 H GLY 8 H GLY 8 -12.032 -0.641 -1.034
54 HA2 GLY 8 2HA GLY 8 -12.007 1.457 0.644
55 HA3 GLY 8 1HA GLY 8 -11.077 0.269 1.546
56 H VAL 9 H VAL 9 -10.965 0.352 -1.939
57 HA VAL 9 HA VAL 9 -8.222 0.413 -2.161
58 HB VAL 9 HB VAL 9 -10.087 0.076 -3.957
59 HG11 VAL 9 1HG1 VAL 9 -9.385 2.957 -4.432
60 HG12 VAL 9 2HG1 VAL 9 -10.946 2.355 -3.877
61 HG13 VAL 9 3HG1 VAL 9 -10.359 1.932 -5.486
62 HG21 VAL 9 3HG2 VAL 9 -8.423 0.411 -5.736
63 HG22 VAL 9 1HG2 VAL 9 -7.740 -0.396 -4.325
64 HG23 VAL 9 2HG2 VAL 9 -7.420 1.315 -4.602
65 H THR 10 H THR 10 -10.473 3.102 -2.098
66 HA THR 10 HA THR 10 -8.493 5.130 -2.442
67 HB THR 10 HB THR 10 -11.269 5.425 -1.288
68 HG1 THR 10 1HG THR 10 -10.304 5.332 -3.950
69 HG21 THR 10 3HG2 THR 10 -11.071 7.749 -2.084
70 HG22 THR 10 1HG2 THR 10 -9.413 7.425 -2.589
71 HG23 THR 10 2HG2 THR 10 -9.842 7.362 -0.880
72 H ALA 11 H ALA 11 -10.046 3.605 0.313
73 HA ALA 11 HA ALA 11 -9.201 5.374 2.320
74 HB1 ALA 11 1HB ALA 11 -9.690 2.405 2.546
75 HB2 ALA 11 2HB ALA 11 -10.928 3.656 2.653
76 HB3 ALA 11 3HB ALA 11 -9.661 3.562 3.876
77 H GLY 12 H GLY 12 -7.517 3.029 0.476
78 HA2 GLY 12 2HA GLY 12 -5.204 3.233 2.297
79 HA3 GLY 12 1HA GLY 12 -5.466 1.900 1.175
80 H LYS 13 H LYS 13 -6.443 4.126 -0.741
81 HA LYS 13 HA LYS 13 -4.164 4.313 -2.312
82 HB2 LYS 13 2HB LYS 13 -6.778 4.940 -2.657
83 HB3 LYS 13 1HB LYS 13 -6.108 6.552 -2.448
84 HG2 LYS 13 2HG LYS 13 -5.472 4.530 -4.566
85 HG3 LYS 13 1HG LYS 13 -6.122 6.159 -4.754
86 HD2 LYS 13 2HD LYS 13 -3.953 7.003 -3.781
87 HD3 LYS 13 1HD LYS 13 -3.340 5.358 -3.944
88 HE2 LYS 13 2HE LYS 13 -2.680 6.737 -5.848
89 HE3 LYS 13 1HE LYS 13 -3.751 5.428 -6.347
90 HZ1 LYS 13 3HZ LYS 13 -4.559 8.251 -5.900
91 HZ2 LYS 13 1HZ LYS 13 -5.591 6.996 -6.373
92 HZ3 LYS 13 2HZ LYS 13 -4.354 7.507 -7.406
93 H ILE 14 H ILE 14 -5.511 6.405 0.151
94 HA ILE 14 HA ILE 14 -3.802 8.595 -0.044
95 HB ILE 14 HB ILE 14 -4.251 8.727 2.501
96 HG12 ILE 14 2HG1 ILE 14 -6.299 6.627 1.783
97 HG13 ILE 14 1HG1 ILE 14 -4.791 6.249 2.601
98 HG21 ILE 14 1HG2 ILE 14 -5.425 10.077 0.856
99 HG22 ILE 14 2HG2 ILE 14 -6.538 9.528 2.108
100 HG23 ILE 14 3HG2 ILE 14 -6.531 8.743 0.529
101 HD11 ILE 14 3HD1 ILE 14 -6.997 8.019 3.622
102 HD12 ILE 14 1HD1 ILE 14 -5.453 7.759 4.435
103 HD13 ILE 14 2HD1 ILE 14 -6.565 6.410 4.203
104 H ALA 15 H ALA 15 -3.478 5.499 1.593
105 HA ALA 15 HA ALA 15 -1.045 6.116 2.931
106 HB1 ALA 15 1HB ALA 15 -2.552 4.338 3.694
107 HB2 ALA 15 2HB ALA 15 -0.918 3.739 3.411
108 HB3 ALA 15 3HB ALA 15 -2.191 3.418 2.233
109 H SER 16 H SER 16 -1.829 4.429 -0.079
110 HA SER 16 HA SER 16 0.780 3.700 -0.781
111 HB2 SER 16 2HB SER 16 -1.195 2.811 -1.944
112 HB3 SER 16 1HB SER 16 -1.541 4.412 -2.598
113 HG SER 16 HG SER 16 0.889 4.017 -3.299
114 H ASN 17 H ASN 17 -0.848 6.721 -0.764
115 HA ASN 17 HA ASN 17 0.852 8.066 -2.641
116 HB2 ASN 17 2HB ASN 17 -1.055 9.135 -0.548
117 HB3 ASN 17 1HB ASN 17 -0.206 10.137 -1.720
118 HD21 ASN 17 1HD2 ASN 17 -3.063 9.725 -1.316
119 HD22 ASN 17 2HD2 ASN 17 -3.682 9.156 -2.826
120 H VAL 18 H VAL 18 0.606 7.925 0.899
121 HA VAL 18 HA VAL 18 2.849 9.625 1.344
122 HB VAL 18 HB VAL 18 2.650 9.139 3.645
123 HG11 VAL 18 1HG1 VAL 18 0.733 10.354 2.632
124 HG12 VAL 18 2HG1 VAL 18 0.331 9.503 4.123
125 HG13 VAL 18 3HG1 VAL 18 -0.145 8.825 2.567
126 HG21 VAL 18 3HG2 VAL 18 0.997 6.707 2.974
127 HG22 VAL 18 1HG2 VAL 18 1.486 7.242 4.580
128 HG23 VAL 18 2HG2 VAL 18 2.698 6.672 3.434
129 H GLN 19 H GLN 19 2.386 6.226 0.808
130 HA GLN 19 HA GLN 19 4.833 5.276 1.813
131 HB2 GLN 19 2HB GLN 19 2.771 3.941 1.077
132 HB3 GLN 19 1HB GLN 19 3.408 4.087 -0.555
133 HG2 GLN 19 2HG GLN 19 5.566 3.118 0.453
134 HG3 GLN 19 1HG GLN 19 4.527 2.636 1.792
135 HE21 GLN 19 1HE2 GLN 19 2.978 1.056 1.485
136 HE22 GLN 19 2HE2 GLN 19 2.968 0.024 0.099
137 H LYS 20 H LYS 20 3.959 6.878 -1.152
138 HA LYS 20 HA LYS 20 6.237 6.193 -2.673
139 HB2 LYS 20 2HB LYS 20 4.605 7.093 -4.018
140 HB3 LYS 20 1HB LYS 20 4.108 8.270 -2.813
141 HG2 LYS 20 2HG LYS 20 6.789 8.637 -4.008
142 HG3 LYS 20 1HG LYS 20 5.392 8.934 -5.047
143 HD2 LYS 20 2HD LYS 20 4.534 10.583 -3.566
144 HD3 LYS 20 1HD LYS 20 5.688 10.142 -2.306
145 HE2 LYS 20 2HE LYS 20 6.335 12.220 -3.420
146 HE3 LYS 20 1HE LYS 20 7.526 10.948 -3.692
147 HZ1 LYS 20 3HZ LYS 20 5.409 11.754 -5.613
148 HZ2 LYS 20 1HZ LYS 20 6.591 10.571 -5.876
149 HZ3 LYS 20 2HZ LYS 20 7.039 12.194 -5.714
150 H LYS 21 H LYS 21 5.539 8.713 -0.335
151 HA LYS 21 HA LYS 21 7.957 10.158 -0.711
152 HB2 LYS 21 2HB LYS 21 5.913 10.077 1.505
153 HB3 LYS 21 1HB LYS 21 7.328 11.112 1.565
154 HG2 LYS 21 2HG LYS 21 6.608 12.231 -0.481
155 HG3 LYS 21 1HG LYS 21 5.188 11.185 -0.548
156 HD2 LYS 21 2HD LYS 21 4.375 12.096 1.540
157 HD3 LYS 21 1HD LYS 21 5.838 13.064 1.721
158 HE2 LYS 21 2HE LYS 21 3.808 13.329 -0.494
159 HE3 LYS 21 1HE LYS 21 3.961 14.403 0.895
160 HZ1 LYS 21 3HZ LYS 21 6.026 13.966 -1.194
161 HZ2 LYS 21 1HZ LYS 21 6.188 14.986 0.145
162 HZ3 LYS 21 2HZ LYS 21 5.040 15.332 -1.048
163 H LEU 22 H LEU 22 7.197 7.207 0.759
164 HA LEU 22 HA LEU 22 9.261 7.234 2.764
165 HB2 LEU 22 2HB LEU 22 7.006 5.800 2.494
166 HB3 LEU 22 1HB LEU 22 8.138 4.670 1.781
167 HG LEU 22 HG LEU 22 8.375 5.823 4.561
168 HD11 LEU 22 1HD1 LEU 22 7.409 3.143 3.588
169 HD12 LEU 22 2HD1 LEU 22 6.476 4.362 4.456
170 HD13 LEU 22 3HD1 LEU 22 7.795 3.516 5.268
171 HD21 LEU 22 3HD2 LEU 22 9.950 3.684 3.130
172 HD22 LEU 22 1HD2 LEU 22 10.080 4.058 4.849
173 HD23 LEU 22 2HD2 LEU 22 10.541 5.263 3.647
174 H THR 23 H THR 23 8.842 5.943 -0.486
175 HA THR 23 HA THR 23 11.164 4.403 -0.667
176 HB THR 23 HB THR 23 9.880 5.957 -2.917
177 HG1 THR 23 1HG THR 23 8.874 3.985 -1.397
178 HG21 THR 23 3HG2 THR 23 11.502 3.408 -2.910
179 HG22 THR 23 1HG2 THR 23 12.052 4.983 -3.482
180 HG23 THR 23 2HG2 THR 23 10.750 4.143 -4.325
181 H ARG 24 H ARG 24 10.610 7.819 -1.517
182 HA ARG 24 HA ARG 24 13.101 8.433 -2.544
183 HB2 ARG 24 2HB ARG 24 11.335 10.194 -0.835
184 HB3 ARG 24 1HB ARG 24 12.652 10.760 -1.852
185 HG2 ARG 24 2HG ARG 24 10.211 9.321 -2.868
186 HG3 ARG 24 1HG ARG 24 10.414 11.073 -2.852
187 HD2 ARG 24 2HD ARG 24 12.346 10.882 -4.315
188 HD3 ARG 24 1HD ARG 24 12.214 9.125 -4.290
189 HE ARG 24 HE ARG 24 9.780 10.111 -5.187
190 HH11 ARG 24 1HH1 ARG 24 13.109 10.101 -6.219
191 HH12 ARG 24 2HH1 ARG 24 12.719 10.173 -7.906
192 HH21 ARG 24 1HH2 ARG 24 9.260 10.199 -7.403
193 HH22 ARG 24 2HH2 ARG 24 10.532 10.228 -8.578
194 H ALA 25 H ALA 25 12.024 8.271 0.773
195 HA ALA 25 HA ALA 25 14.527 9.126 1.896
196 HB1 ALA 25 1HB ALA 25 12.179 7.754 3.209
197 HB2 ALA 25 2HB ALA 25 12.423 9.496 3.091
198 HB3 ALA 25 3HB ALA 25 13.532 8.515 4.047
199 H GLN 26 H GLN 26 12.962 6.125 1.101
200 HA GLN 26 HA GLN 26 14.639 4.352 2.489
201 HB2 GLN 26 2HB GLN 26 12.618 3.439 1.782
202 HB3 GLN 26 1HB GLN 26 12.752 4.123 0.167
203 HG2 GLN 26 2HG GLN 26 14.527 2.536 -0.352
204 HG3 GLN 26 1HG GLN 26 14.390 1.850 1.263
205 HE21 GLN 26 1HE2 GLN 26 11.657 2.927 -0.618
206 HE22 GLN 26 2HE2 GLN 26 10.979 1.362 -0.893
207 H GLU 27 H GLU 27 14.962 6.039 -0.540
208 HA GLU 27 HA GLU 27 17.050 4.428 -1.610
209 HB2 GLU 27 2HB GLU 27 15.513 6.686 -2.426
210 HB3 GLU 27 1HB GLU 27 17.213 7.088 -2.611
211 HG2 GLU 27 2HG GLU 27 17.528 5.053 -3.950
212 HG3 GLU 27 1HG GLU 27 15.806 4.706 -3.795
213 H LYS 28 H LYS 28 16.919 7.281 0.428
214 HA LYS 28 HA LYS 28 19.609 8.036 0.298
215 HB2 LYS 28 2HB LYS 28 17.391 8.426 2.267
216 HB3 LYS 28 1HB LYS 28 19.016 8.941 2.679
217 HG2 LYS 28 2HG LYS 28 17.576 9.830 0.195
218 HG3 LYS 28 1HG LYS 28 17.541 10.719 1.720
219 HD2 LYS 28 2HD LYS 28 19.981 10.919 1.653
220 HD3 LYS 28 1HD LYS 28 20.010 10.039 0.124
221 HE2 LYS 28 2HE LYS 28 18.592 12.661 0.589
222 HE3 LYS 28 1HE LYS 28 20.177 12.489 -0.164
223 HZ1 LYS 28 3HZ LYS 28 18.417 12.707 -1.809
224 HZ2 LYS 28 1HZ LYS 28 17.645 11.330 -1.199
225 HZ3 LYS 28 2HZ LYS 28 19.166 11.195 -1.928
226 H VAL 29 H VAL 29 17.927 6.095 2.766
227 HA VAL 29 HA VAL 29 20.165 5.449 4.296
228 HB VAL 29 HB VAL 29 18.805 3.559 5.143
229 HG11 VAL 29 1HG1 VAL 29 17.362 6.194 4.901
230 HG12 VAL 29 2HG1 VAL 29 18.573 5.777 6.114
231 HG13 VAL 29 3HG1 VAL 29 17.018 4.944 6.097
232 HG21 VAL 29 3HG2 VAL 29 17.684 2.953 3.061
233 HG22 VAL 29 1HG2 VAL 29 16.799 4.477 3.091
234 HG23 VAL 29 2HG2 VAL 29 16.515 3.270 4.344
235 H LEU 30 H LEU 30 18.716 3.778 1.550
236 HA LEU 30 HA LEU 30 20.281 1.452 1.673
237 HB2 LEU 30 2HB LEU 30 18.638 2.780 -0.414
238 HB3 LEU 30 1HB LEU 30 19.647 1.426 -0.864
239 HG LEU 30 HG LEU 30 17.518 1.339 1.275
240 HD11 LEU 30 1HD1 LEU 30 16.527 1.679 -0.920
241 HD12 LEU 30 2HD1 LEU 30 16.219 0.041 -0.343
242 HD13 LEU 30 3HD1 LEU 30 17.458 0.328 -1.565
243 HD21 LEU 30 3HD2 LEU 30 19.151 -0.841 -0.021
244 HD22 LEU 30 1HD2 LEU 30 17.829 -1.090 1.119
245 HD23 LEU 30 2HD2 LEU 30 19.302 -0.272 1.641
246 H GLN 31 H GLN 31 20.860 4.576 0.161
247 HA GLN 31 HA GLN 31 23.140 3.643 -1.315
248 HB2 GLN 31 2HB GLN 31 22.105 6.424 -0.791
249 HB3 GLN 31 1HB GLN 31 23.451 6.050 -1.860
250 HG2 GLN 31 2HG GLN 31 20.743 4.830 -2.246
251 HG3 GLN 31 1HG GLN 31 21.159 6.407 -2.909
252 HE21 GLN 31 1HE2 GLN 31 20.474 3.905 -4.261
253 HE22 GLN 31 2HE2 GLN 31 21.806 3.545 -5.301
254 H LYS 32 H LYS 32 22.614 4.961 1.826
255 HA LYS 32 HA LYS 32 25.437 5.617 2.149
256 HB2 LYS 32 2HB LYS 32 24.748 6.409 4.412
257 HB3 LYS 32 1HB LYS 32 23.945 7.232 3.085
258 HG2 LYS 32 2HG LYS 32 22.183 6.889 4.485
259 HG3 LYS 32 1HG LYS 32 22.090 5.428 3.503
260 HD2 LYS 32 2HD LYS 32 21.831 4.802 5.799
261 HD3 LYS 32 1HD LYS 32 23.417 4.249 5.260
262 HE2 LYS 32 2HE LYS 32 24.463 6.179 6.318
263 HE3 LYS 32 1HE LYS 32 22.882 6.777 6.817
264 HZ1 LYS 32 3HZ LYS 32 24.108 4.217 7.692
265 HZ2 LYS 32 1HZ LYS 32 22.603 4.813 8.186
266 HZ3 LYS 32 2HZ LYS 32 24.019 5.630 8.618
267 H LEU 33 H LEU 33 23.191 3.114 2.949
268 HA LEU 33 HA LEU 33 24.992 1.928 4.908
269 HB2 LEU 33 2HB LEU 33 22.273 1.989 4.730
270 HB3 LEU 33 1HB LEU 33 22.619 0.421 4.032
271 HG LEU 33 HG LEU 33 22.155 0.166 6.383
272 HD11 LEU 33 1HD1 LEU 33 23.820 -1.320 5.433
273 HD12 LEU 33 2HD1 LEU 33 24.211 -0.945 7.112
274 HD13 LEU 33 3HD1 LEU 33 25.093 -0.157 5.802
275 HD21 LEU 33 3HD2 LEU 33 24.435 2.086 6.853
276 HD22 LEU 33 1HD2 LEU 33 23.534 1.219 8.098
277 HD23 LEU 33 2HD2 LEU 33 22.723 2.431 7.106
278 H TYR 34 H TYR 34 23.728 1.359 1.678
279 HA TYR 34 HA TYR 34 25.643 -0.855 1.367
280 HB2 TYR 34 2HB TYR 34 23.038 -0.391 -0.097
281 HB3 TYR 34 1HB TYR 34 24.145 -1.727 -0.381
282 HD1 TYR 34 2HD TYR 34 24.433 -3.483 1.346
283 HD2 TYR 34 1HD TYR 34 21.523 -0.406 1.746
284 HE1 TYR 34 2HE TYR 34 23.288 -4.799 3.081
285 HE2 TYR 34 1HE TYR 34 20.371 -1.712 3.482
286 HH TYR 34 HH TYR 34 20.171 -4.058 4.194
Start of MODEL 10
1 H1 MET 1 1HT MET 1 -10.403 -0.085 10.285
2 H2 MET 1 2HT MET 1 -9.398 -1.422 10.034
3 H3 MET 1 3HT MET 1 -10.209 -1.239 11.508
4 HA MET 1 HA MET 1 -11.282 -2.910 10.165
5 HB2 MET 1 2HB MET 1 -12.642 -1.507 11.668
6 HB3 MET 1 1HB MET 1 -12.883 -0.351 10.366
7 HG2 MET 1 2HG MET 1 -14.827 -1.777 10.657
8 HG3 MET 1 1HG MET 1 -14.085 -2.024 9.077
9 HE1 MET 1 2HE MET 1 -15.460 -5.585 9.935
10 HE2 MET 1 3HE MET 1 -15.485 -4.245 8.790
11 HE3 MET 1 1HE MET 1 -16.211 -4.054 10.386
12 H ALA 2 H ALA 2 -11.389 -3.680 8.172
13 HA ALA 2 HA ALA 2 -12.330 -2.093 5.973
14 HB1 ALA 2 1HB ALA 2 -9.465 -3.033 5.914
15 HB2 ALA 2 2HB ALA 2 -9.996 -1.358 6.062
16 HB3 ALA 2 3HB ALA 2 -10.335 -2.263 4.588
17 H GLU 3 H GLU 3 -11.492 -3.588 3.846
18 HA GLU 3 HA GLU 3 -13.099 -5.923 4.105
19 HB2 GLU 3 2HB GLU 3 -11.268 -5.011 1.878
20 HB3 GLU 3 1HB GLU 3 -12.351 -6.391 1.767
21 HG2 GLU 3 2HG GLU 3 -13.407 -4.564 0.691
22 HG3 GLU 3 1HG GLU 3 -14.252 -4.841 2.212
23 H MET 4 H MET 4 -11.783 -7.858 2.636
24 HA MET 4 HA MET 4 -10.327 -9.215 4.605
25 HB2 MET 4 2HB MET 4 -11.517 -10.315 2.736
26 HB3 MET 4 1HB MET 4 -10.309 -9.694 1.619
27 HG2 MET 4 2HG MET 4 -8.584 -10.989 2.748
28 HG3 MET 4 1HG MET 4 -9.782 -11.598 3.890
29 HE1 MET 4 3HE MET 4 -7.828 -13.443 2.215
30 HE2 MET 4 1HE MET 4 -8.907 -14.718 1.645
31 HE3 MET 4 2HE MET 4 -9.036 -14.129 3.302
32 H GLY 5 H GLY 5 -9.210 -7.474 1.710
33 HA2 GLY 5 2HA GLY 5 -6.745 -6.768 2.997
34 HA3 GLY 5 1HA GLY 5 -6.522 -8.005 1.769
35 H SER 6 H SER 6 -7.391 -7.482 -0.419
36 HA SER 6 HA SER 6 -7.261 -6.199 -2.280
37 HB2 SER 6 2HB SER 6 -8.386 -3.971 -0.589
38 HB3 SER 6 1HB SER 6 -8.616 -4.261 -2.310
39 HG SER 6 HG SER 6 -10.432 -4.930 -1.113
40 H LYS 7 H LYS 7 -5.058 -6.085 -0.232
41 HA LYS 7 HA LYS 7 -3.184 -4.895 0.295
42 HB2 LYS 7 2HB LYS 7 -1.828 -4.363 -1.633
43 HB3 LYS 7 1HB LYS 7 -2.681 -5.875 -1.895
44 HG2 LYS 7 2HG LYS 7 -4.279 -4.765 -3.330
45 HG3 LYS 7 1HG LYS 7 -3.523 -3.208 -3.008
46 HD2 LYS 7 2HD LYS 7 -2.166 -5.545 -4.339
47 HD3 LYS 7 1HD LYS 7 -2.867 -4.161 -5.178
48 HE2 LYS 7 2HE LYS 7 -0.653 -3.543 -5.061
49 HE3 LYS 7 1HE LYS 7 -1.303 -2.780 -3.611
50 HZ1 LYS 7 3HZ LYS 7 -0.471 -4.599 -2.292
51 HZ2 LYS 7 1HZ LYS 7 0.796 -3.949 -3.205
52 HZ3 LYS 7 2HZ LYS 7 0.079 -5.408 -3.671
53 H GLY 8 H GLY 8 -5.454 -3.312 0.758
54 HA2 GLY 8 2HA GLY 8 -6.092 -1.127 1.096
55 HA3 GLY 8 1HA GLY 8 -4.367 -0.830 1.243
56 H VAL 9 H VAL 9 -6.251 -1.822 -1.587
57 HA VAL 9 HA VAL 9 -4.941 -0.114 -3.361
58 HB VAL 9 HB VAL 9 -7.066 -0.449 -4.780
59 HG11 VAL 9 1HG1 VAL 9 -5.369 -2.748 -3.838
60 HG12 VAL 9 2HG1 VAL 9 -5.076 -1.695 -5.221
61 HG13 VAL 9 3HG1 VAL 9 -6.434 -2.819 -5.241
62 HG21 VAL 9 3HG2 VAL 9 -8.451 -2.371 -4.058
63 HG22 VAL 9 1HG2 VAL 9 -8.625 -0.955 -3.020
64 HG23 VAL 9 2HG2 VAL 9 -7.641 -2.321 -2.493
65 H THR 10 H THR 10 -7.938 0.325 -1.541
66 HA THR 10 HA THR 10 -8.134 3.060 -2.562
67 HB THR 10 HB THR 10 -10.221 1.471 -1.069
68 HG1 THR 10 1HG THR 10 -10.885 2.057 -3.598
69 HG21 THR 10 3HG2 THR 10 -10.486 3.880 -0.775
70 HG22 THR 10 1HG2 THR 10 -11.758 3.239 -1.816
71 HG23 THR 10 2HG2 THR 10 -10.399 4.114 -2.521
72 H ALA 11 H ALA 11 -8.664 1.360 0.515
73 HA ALA 11 HA ALA 11 -8.531 3.741 2.069
74 HB1 ALA 11 1HB ALA 11 -8.313 0.870 2.960
75 HB2 ALA 11 2HB ALA 11 -9.813 1.783 2.789
76 HB3 ALA 11 3HB ALA 11 -8.622 2.263 3.998
77 H GLY 12 H GLY 12 -6.192 1.720 0.691
78 HA2 GLY 12 2HA GLY 12 -4.152 2.704 2.581
79 HA3 GLY 12 1HA GLY 12 -3.965 1.281 1.558
80 H LYS 13 H LYS 13 -5.450 3.208 -0.466
81 HA LYS 13 HA LYS 13 -3.267 3.816 -2.064
82 HB2 LYS 13 2HB LYS 13 -5.960 3.920 -2.374
83 HB3 LYS 13 1HB LYS 13 -5.607 5.636 -2.203
84 HG2 LYS 13 2HG LYS 13 -4.603 3.735 -4.294
85 HG3 LYS 13 1HG LYS 13 -5.582 5.187 -4.506
86 HD2 LYS 13 2HD LYS 13 -3.623 6.481 -3.566
87 HD3 LYS 13 1HD LYS 13 -2.684 4.998 -3.735
88 HE2 LYS 13 2HE LYS 13 -3.183 4.964 -6.138
89 HE3 LYS 13 1HE LYS 13 -4.101 6.460 -5.963
90 HZ1 LYS 13 3HZ LYS 13 -1.200 6.136 -5.415
91 HZ2 LYS 13 1HZ LYS 13 -2.079 7.572 -5.243
92 HZ3 LYS 13 2HZ LYS 13 -1.869 6.886 -6.774
93 H ILE 14 H ILE 14 -5.006 5.671 0.341
94 HA ILE 14 HA ILE 14 -3.714 8.132 0.104
95 HB ILE 14 HB ILE 14 -4.293 8.286 2.608
96 HG12 ILE 14 2HG1 ILE 14 -5.880 5.801 1.968
97 HG13 ILE 14 1HG1 ILE 14 -4.335 5.745 2.804
98 HG21 ILE 14 1HG2 ILE 14 -5.654 9.294 0.866
99 HG22 ILE 14 2HG2 ILE 14 -6.681 8.590 2.114
100 HG23 ILE 14 3HG2 ILE 14 -6.457 7.751 0.579
101 HD11 ILE 14 3HD1 ILE 14 -6.833 7.124 3.747
102 HD12 ILE 14 1HD1 ILE 14 -5.277 7.165 4.576
103 HD13 ILE 14 2HD1 ILE 14 -6.135 5.635 4.387
104 H ALA 15 H ALA 15 -2.913 5.183 1.843
105 HA ALA 15 HA ALA 15 -0.711 6.280 3.286
106 HB1 ALA 15 1HB ALA 15 -1.231 3.390 2.613
107 HB2 ALA 15 2HB ALA 15 -1.922 4.248 3.990
108 HB3 ALA 15 3HB ALA 15 -0.178 4.009 3.886
109 H SER 16 H SER 16 -0.994 4.478 0.259
110 HA SER 16 HA SER 16 1.775 4.269 -0.247
111 HB2 SER 16 2HB SER 16 0.092 2.899 -1.435
112 HB3 SER 16 1HB SER 16 -0.516 4.349 -2.233
113 HG SER 16 HG SER 16 1.049 4.195 -3.615
114 H ASN 17 H ASN 17 -0.465 6.835 -0.409
115 HA ASN 17 HA ASN 17 0.915 8.450 -2.329
116 HB2 ASN 17 2HB ASN 17 -1.482 8.763 -1.890
117 HB3 ASN 17 1HB ASN 17 -1.124 9.226 -0.230
118 HD21 ASN 17 1HD2 ASN 17 -2.042 11.243 -0.446
119 HD22 ASN 17 2HD2 ASN 17 -1.313 12.505 -1.374
120 H VAL 18 H VAL 18 0.704 8.384 1.214
121 HA VAL 18 HA VAL 18 2.570 10.522 1.563
122 HB VAL 18 HB VAL 18 2.365 10.207 3.866
123 HG11 VAL 18 1HG1 VAL 18 0.017 9.949 4.309
124 HG12 VAL 18 2HG1 VAL 18 -0.212 9.065 2.802
125 HG13 VAL 18 3HG1 VAL 18 0.218 10.776 2.763
126 HG21 VAL 18 3HG2 VAL 18 1.538 7.350 3.355
127 HG22 VAL 18 1HG2 VAL 18 1.626 8.123 4.936
128 HG23 VAL 18 2HG2 VAL 18 3.093 7.888 3.988
129 H GLN 19 H GLN 19 2.767 7.054 1.263
130 HA GLN 19 HA GLN 19 5.408 6.783 2.276
131 HB2 GLN 19 2HB GLN 19 3.600 4.962 1.914
132 HB3 GLN 19 1HB GLN 19 4.205 4.913 0.262
133 HG2 GLN 19 2HG GLN 19 6.510 4.612 1.366
134 HG3 GLN 19 1HG GLN 19 5.581 4.190 2.803
135 HE21 GLN 19 1HE2 GLN 19 4.366 2.308 2.827
136 HE22 GLN 19 2HE2 GLN 19 4.589 1.050 1.664
137 H LYS 20 H LYS 20 4.034 7.453 -0.885
138 HA LYS 20 HA LYS 20 6.319 6.998 -2.445
139 HB2 LYS 20 2HB LYS 20 4.461 7.258 -3.767
140 HB3 LYS 20 1HB LYS 20 3.787 8.527 -2.758
141 HG2 LYS 20 2HG LYS 20 6.243 9.152 -4.298
142 HG3 LYS 20 1HG LYS 20 4.722 9.002 -5.182
143 HD2 LYS 20 2HD LYS 20 3.703 10.709 -3.857
144 HD3 LYS 20 1HD LYS 20 5.077 10.745 -2.750
145 HE2 LYS 20 2HE LYS 20 6.509 11.549 -4.577
146 HE3 LYS 20 1HE LYS 20 5.122 11.535 -5.664
147 HZ1 LYS 20 3HZ LYS 20 5.362 13.188 -3.207
148 HZ2 LYS 20 1HZ LYS 20 4.054 13.193 -4.281
149 HZ3 LYS 20 2HZ LYS 20 5.568 13.749 -4.789
150 H LYS 21 H LYS 21 5.258 9.739 -0.541
151 HA LYS 21 HA LYS 21 7.251 11.549 -1.431
152 HB2 LYS 21 2HB LYS 21 5.629 11.500 1.122
153 HB3 LYS 21 1HB LYS 21 6.574 12.860 0.549
154 HG2 LYS 21 2HG LYS 21 5.153 13.030 -1.428
155 HG3 LYS 21 1HG LYS 21 4.205 11.655 -0.859
156 HD2 LYS 21 2HD LYS 21 3.039 13.679 -0.296
157 HD3 LYS 21 1HD LYS 21 3.658 12.954 1.189
158 HE2 LYS 21 2HE LYS 21 4.018 15.352 1.212
159 HE3 LYS 21 1HE LYS 21 5.561 14.505 1.134
160 HZ1 LYS 21 3HZ LYS 21 5.665 14.949 -1.225
161 HZ2 LYS 21 1HZ LYS 21 5.472 16.402 -0.378
162 HZ3 LYS 21 2HZ LYS 21 4.157 15.713 -1.187
163 H LEU 22 H LEU 22 7.189 8.905 0.742
164 HA LEU 22 HA LEU 22 9.573 9.724 2.174
165 HB2 LEU 22 2HB LEU 22 7.818 7.281 2.340
166 HB3 LEU 22 1HB LEU 22 9.257 7.505 3.308
167 HG LEU 22 HG LEU 22 6.789 9.239 3.384
168 HD11 LEU 22 1HD1 LEU 22 7.918 7.292 5.389
169 HD12 LEU 22 2HD1 LEU 22 6.472 7.051 4.409
170 HD13 LEU 22 3HD1 LEU 22 6.507 8.324 5.628
171 HD21 LEU 22 3HD2 LEU 22 8.842 10.523 3.778
172 HD22 LEU 22 1HD2 LEU 22 9.304 9.384 5.044
173 HD23 LEU 22 2HD2 LEU 22 7.863 10.383 5.240
174 H THR 23 H THR 23 8.590 7.552 -0.370
175 HA THR 23 HA THR 23 10.648 5.775 -0.578
176 HB THR 23 HB THR 23 9.435 7.234 -2.924
177 HG1 THR 23 1HG THR 23 8.073 6.019 -1.182
178 HG21 THR 23 3HG2 THR 23 10.676 4.491 -2.676
179 HG22 THR 23 1HG2 THR 23 11.349 5.873 -3.542
180 HG23 THR 23 2HG2 THR 23 9.866 5.111 -4.114
181 H ARG 24 H ARG 24 10.591 9.114 -1.790
182 HA ARG 24 HA ARG 24 13.024 9.176 -3.101
183 HB2 ARG 24 2HB ARG 24 11.431 11.039 -3.142
184 HB3 ARG 24 1HB ARG 24 11.755 11.362 -1.447
185 HG2 ARG 24 2HG ARG 24 12.968 12.963 -2.667
186 HG3 ARG 24 1HG ARG 24 14.151 11.780 -2.106
187 HD2 ARG 24 2HD ARG 24 14.118 10.697 -4.287
188 HD3 ARG 24 1HD ARG 24 12.901 11.844 -4.845
189 HE ARG 24 HE ARG 24 15.387 12.997 -3.898
190 HH11 ARG 24 1HH1 ARG 24 13.517 11.897 -6.627
191 HH12 ARG 24 2HH1 ARG 24 14.428 12.812 -7.782
192 HH21 ARG 24 1HH2 ARG 24 16.587 14.206 -5.412
193 HH22 ARG 24 2HH2 ARG 24 16.173 14.124 -7.092
194 H ALA 25 H ALA 25 12.295 9.526 0.299
195 HA ALA 25 HA ALA 25 15.020 10.014 1.085
196 HB1 ALA 25 1HB ALA 25 13.175 10.892 2.421
197 HB2 ALA 25 2HB ALA 25 14.169 9.793 3.378
198 HB3 ALA 25 3HB ALA 25 12.614 9.253 2.745
199 H GLN 26 H GLN 26 12.865 7.294 0.817
200 HA GLN 26 HA GLN 26 14.370 5.380 2.225
201 HB2 GLN 26 2HB GLN 26 12.241 5.235 0.107
202 HB3 GLN 26 1HB GLN 26 13.041 3.773 0.672
203 HG2 GLN 26 2HG GLN 26 12.317 4.255 2.951
204 HG3 GLN 26 1HG GLN 26 11.526 5.727 2.389
205 HE21 GLN 26 1HE2 GLN 26 11.430 2.251 2.425
206 HE22 GLN 26 2HE2 GLN 26 9.802 2.088 1.873
207 H GLU 27 H GLU 27 14.605 6.679 -0.988
208 HA GLU 27 HA GLU 27 16.175 4.614 -2.133
209 HB2 GLU 27 2HB GLU 27 15.033 7.053 -2.982
210 HB3 GLU 27 1HB GLU 27 16.759 7.175 -3.298
211 HG2 GLU 27 2HG GLU 27 14.960 4.952 -4.236
212 HG3 GLU 27 1HG GLU 27 15.521 6.305 -5.216
213 H LYS 28 H LYS 28 16.913 7.507 -0.304
214 HA LYS 28 HA LYS 28 19.692 7.559 -0.774
215 HB2 LYS 28 2HB LYS 28 17.834 8.751 1.236
216 HB3 LYS 28 1HB LYS 28 19.563 8.835 1.524
217 HG2 LYS 28 2HG LYS 28 18.189 9.856 -0.949
218 HG3 LYS 28 1HG LYS 28 18.648 10.850 0.435
219 HD2 LYS 28 2HD LYS 28 21.000 10.224 0.086
220 HD3 LYS 28 1HD LYS 28 20.526 9.262 -1.315
221 HE2 LYS 28 2HE LYS 28 21.383 11.430 -2.009
222 HE3 LYS 28 1HE LYS 28 19.673 11.276 -2.410
223 HZ1 LYS 28 3HZ LYS 28 19.135 12.578 -0.443
224 HZ2 LYS 28 1HZ LYS 28 20.165 13.443 -1.471
225 HZ3 LYS 28 2HZ LYS 28 20.777 12.729 -0.065
226 H VAL 29 H VAL 29 17.838 6.407 2.046
227 HA VAL 29 HA VAL 29 20.004 5.367 3.470
228 HB VAL 29 HB VAL 29 18.314 3.993 4.662
229 HG11 VAL 29 1HG1 VAL 29 17.573 6.883 4.229
230 HG12 VAL 29 2HG1 VAL 29 18.772 6.275 5.372
231 HG13 VAL 29 3HG1 VAL 29 17.066 5.889 5.595
232 HG21 VAL 29 3HG2 VAL 29 16.841 3.510 2.780
233 HG22 VAL 29 1HG2 VAL 29 16.383 5.211 2.697
234 HG23 VAL 29 2HG2 VAL 29 15.950 4.251 4.110
235 H LEU 30 H LEU 30 17.898 3.883 1.069
236 HA LEU 30 HA LEU 30 18.615 1.231 1.282
237 HB2 LEU 30 2HB LEU 30 17.071 2.691 -0.417
238 HB3 LEU 30 1HB LEU 30 18.385 2.203 -1.462
239 HG LEU 30 HG LEU 30 16.490 0.664 -1.615
240 HD11 LEU 30 1HD1 LEU 30 17.714 -1.419 -1.277
241 HD12 LEU 30 2HD1 LEU 30 18.912 -0.562 -0.308
242 HD13 LEU 30 3HD1 LEU 30 18.734 -0.188 -2.022
243 HD21 LEU 30 3HD2 LEU 30 17.038 0.097 1.295
244 HD22 LEU 30 1HD2 LEU 30 15.892 -0.763 0.268
245 HD23 LEU 30 2HD2 LEU 30 15.627 0.938 0.654
246 H GLN 31 H GLN 31 20.437 3.878 -0.063
247 HA GLN 31 HA GLN 31 22.326 2.263 -1.460
248 HB2 GLN 31 2HB GLN 31 22.513 5.134 -0.554
249 HB3 GLN 31 1HB GLN 31 23.613 4.352 -1.682
250 HG2 GLN 31 2HG GLN 31 20.659 4.619 -2.160
251 HG3 GLN 31 1HG GLN 31 21.851 5.789 -2.719
252 HE21 GLN 31 1HE2 GLN 31 20.024 4.114 -4.251
253 HE22 GLN 31 2HE2 GLN 31 21.011 3.170 -5.310
254 H LYS 32 H LYS 32 22.101 3.516 1.769
255 HA LYS 32 HA LYS 32 24.809 2.563 2.361
256 HB2 LYS 32 2HB LYS 32 24.518 3.813 4.508
257 HB3 LYS 32 1HB LYS 32 24.480 4.813 3.065
258 HG2 LYS 32 2HG LYS 32 22.726 5.698 4.213
259 HG3 LYS 32 1HG LYS 32 21.887 4.462 3.276
260 HD2 LYS 32 2HD LYS 32 21.103 4.354 5.539
261 HD3 LYS 32 1HD LYS 32 22.098 2.930 5.233
262 HE2 LYS 32 2HE LYS 32 23.974 3.965 6.373
263 HE3 LYS 32 1HE LYS 32 23.044 5.443 6.610
264 HZ1 LYS 32 3HZ LYS 32 22.372 2.786 7.756
265 HZ2 LYS 32 1HZ LYS 32 21.506 4.219 8.003
266 HZ3 LYS 32 2HZ LYS 32 23.081 4.068 8.602
267 H LEU 33 H LEU 33 21.703 1.456 2.472
268 HA LEU 33 HA LEU 33 22.056 -0.078 4.939
269 HB2 LEU 33 2HB LEU 33 19.857 1.146 3.837
270 HB3 LEU 33 1HB LEU 33 19.626 -0.524 3.361
271 HG LEU 33 HG LEU 33 18.448 -0.097 5.426
272 HD11 LEU 33 1HD1 LEU 33 19.424 -2.305 5.133
273 HD12 LEU 33 2HD1 LEU 33 19.438 -1.834 6.833
274 HD13 LEU 33 3HD1 LEU 33 20.923 -1.754 5.883
275 HD21 LEU 33 3HD2 LEU 33 19.813 1.791 6.203
276 HD22 LEU 33 1HD2 LEU 33 21.125 0.676 6.582
277 HD23 LEU 33 2HD2 LEU 33 19.598 0.571 7.458
278 H TYR 34 H TYR 34 21.841 -0.398 1.473
279 HA TYR 34 HA TYR 34 22.431 -3.274 1.727
280 HB2 TYR 34 2HB TYR 34 20.824 -1.791 -0.349
281 HB3 TYR 34 1HB TYR 34 21.447 -3.413 -0.627
282 HD1 TYR 34 2HD TYR 34 19.260 -1.432 1.632
283 HD2 TYR 34 1HD TYR 34 20.285 -5.291 0.164
284 HE1 TYR 34 2HE TYR 34 17.290 -2.377 2.757
285 HE2 TYR 34 1HE TYR 34 18.316 -6.246 1.285
286 HH TYR 34 HH TYR 34 16.821 -5.725 3.146