Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
619467 | 5lbj RC | 34011 | 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 HT1 MET 1 -27.964 -0.316 4.452
2 H2 MET 1 HT2 MET 1 -28.040 -1.254 3.047
3 H3 MET 1 HT3 MET 1 -28.384 0.401 2.978
4 HA MET 1 HA MET 1 -26.122 0.942 3.565
5 HB2 MET 1 HB2 MET 1 -25.703 -1.101 4.895
6 HB3 MET 1 HB1 MET 1 -25.680 -2.047 3.413
7 HG2 MET 1 HG2 MET 1 -23.722 -0.853 2.644
8 HG3 MET 1 HG1 MET 1 -23.764 0.178 4.074
9 HE1 MET 1 HE1 MET 1 -22.896 -2.315 6.941
10 HE2 MET 1 HE2 MET 1 -24.495 -1.814 6.393
11 HE3 MET 1 HE3 MET 1 -23.193 -0.630 6.511
12 H THR 2 HN THR 2 -24.558 1.261 1.925
13 HA THR 2 HA THR 2 -25.434 0.326 -0.729
14 HB THR 2 HB THR 2 -23.847 2.481 -1.268
15 HG1 THR 2 HG1 THR 2 -25.446 3.427 0.843
16 HG21 THR 2 HG21 THR 2 -25.933 3.693 -1.704
17 HG22 THR 2 HG22 THR 2 -26.822 2.513 -0.741
18 HG23 THR 2 HG23 THR 2 -26.044 2.018 -2.244
19 H PHE 3 HN PHE 3 -24.099 -0.896 -1.850
20 HA PHE 3 HA PHE 3 -21.615 -1.755 -0.844
21 HB2 PHE 3 HB2 PHE 3 -23.252 -2.862 -2.567
22 HB3 PHE 3 HB1 PHE 3 -22.293 -1.983 -3.755
23 HD1 PHE 3 HD1 PHE 3 -20.496 -3.077 -4.679
24 HD2 PHE 3 HD2 PHE 3 -21.798 -4.159 -0.778
25 HE1 PHE 3 HE1 PHE 3 -18.799 -4.857 -4.613
26 HE2 PHE 3 HE2 PHE 3 -20.105 -5.941 -0.702
27 HZ PHE 3 HZ PHE 3 -18.601 -6.294 -2.622
28 H ALA 4 HN ALA 4 -22.519 0.764 -3.105
29 HA ALA 4 HA ALA 4 -19.908 1.258 -4.115
30 HB1 ALA 4 HB1 ALA 4 -20.856 3.344 -4.977
31 HB2 ALA 4 HB2 ALA 4 -22.310 3.080 -4.015
32 HB3 ALA 4 HB3 ALA 4 -21.902 1.967 -5.321
33 H GLU 5 HN GLU 5 -21.832 2.698 -1.505
34 HA GLU 5 HA GLU 5 -19.954 4.694 -0.813
35 HB2 GLU 5 HB2 GLU 5 -22.165 3.382 0.772
36 HB3 GLU 5 HB1 GLU 5 -21.199 4.714 1.389
37 HG2 GLU 5 HG2 GLU 5 -22.933 4.790 -1.070
38 HG3 GLU 5 HG1 GLU 5 -23.333 5.479 0.503
39 H LEU 6 HN LEU 6 -20.291 1.326 0.006
40 HA LEU 6 HA LEU 6 -18.201 1.479 2.028
41 HB2 LEU 6 HB2 LEU 6 -20.287 0.018 2.223
42 HB3 LEU 6 HB1 LEU 6 -19.557 -1.005 0.999
43 HG LEU 6 HG LEU 6 -17.833 -0.435 3.319
44 HD11 LEU 6 HD11 LEU 6 -19.974 -0.633 4.453
45 HD12 LEU 6 HD12 LEU 6 -18.979 -2.058 4.753
46 HD13 LEU 6 HD13 LEU 6 -20.307 -2.136 3.595
47 HD21 LEU 6 HD21 LEU 6 -17.196 -1.978 1.532
48 HD22 LEU 6 HD22 LEU 6 -18.621 -2.960 1.865
49 HD23 LEU 6 HD23 LEU 6 -17.346 -2.817 3.075
50 H GLY 7 HN GLY 7 -18.503 1.053 -1.299
51 HA2 GLY 7 HA2 GLY 7 -16.409 -0.811 -1.773
52 HA3 GLY 7 HA1 GLY 7 -17.082 0.309 -2.946
53 H MET 8 HN MET 8 -16.491 2.741 -1.765
54 HA MET 8 HA MET 8 -13.749 3.019 -2.474
55 HB2 MET 8 HB2 MET 8 -15.679 4.964 -1.197
56 HB3 MET 8 HB1 MET 8 -14.069 5.392 -1.761
57 HG2 MET 8 HG2 MET 8 -16.288 4.307 -3.480
58 HG3 MET 8 HG1 MET 8 -15.814 6.000 -3.363
59 HE1 MET 8 HE1 MET 8 -14.609 4.864 -6.946
60 HE2 MET 8 HE2 MET 8 -15.546 6.066 -6.060
61 HE3 MET 8 HE3 MET 8 -16.065 4.382 -6.077
62 H ALA 9 HN ALA 9 -15.497 3.062 0.604
63 HA ALA 9 HA ALA 9 -13.270 3.740 2.211
64 HB1 ALA 9 HB1 ALA 9 -15.577 3.993 2.984
65 HB2 ALA 9 HB2 ALA 9 -14.635 2.996 4.092
66 HB3 ALA 9 HB3 ALA 9 -15.774 2.241 2.978
67 H PHE 10 HN PHE 10 -14.690 0.649 1.252
68 HA PHE 10 HA PHE 10 -12.932 -0.961 2.798
69 HB2 PHE 10 HB2 PHE 10 -14.976 -1.965 2.190
70 HB3 PHE 10 HB1 PHE 10 -14.795 -1.514 0.500
71 HD1 PHE 10 HD1 PHE 10 -12.576 -3.330 2.900
72 HD2 PHE 10 HD2 PHE 10 -14.689 -3.381 -0.793
73 HE1 PHE 10 HE1 PHE 10 -11.643 -5.551 2.403
74 HE2 PHE 10 HE2 PHE 10 -13.756 -5.601 -1.300
75 HZ PHE 10 HZ PHE 10 -12.232 -6.690 0.300
76 H TRP 11 HN TRP 11 -12.915 0.082 -0.599
77 HA TRP 11 HA TRP 11 -10.650 -1.427 -1.347
78 HB2 TRP 11 HB2 TRP 11 -12.217 0.778 -2.535
79 HB3 TRP 11 HB1 TRP 11 -10.552 0.639 -3.089
80 HD1 TRP 11 HD1 TRP 11 -13.898 -0.621 -3.863
81 HE1 TRP 11 HE1 TRP 11 -13.777 -2.685 -5.395
82 HE3 TRP 11 HE3 TRP 11 -8.931 -1.722 -3.350
83 HZ2 TRP 11 HZ2 TRP 11 -11.834 -4.538 -6.269
84 HZ3 TRP 11 HZ3 TRP 11 -8.021 -3.658 -4.567
85 HH2 TRP 11 HH2 TRP 11 -9.444 -5.037 -5.994
86 H HIS 12 HN HIS 12 -11.013 1.891 -0.180
87 HA HIS 12 HA HIS 12 -8.276 2.580 -0.423
88 HB2 HIS 12 HB2 HIS 12 -10.542 3.735 1.197
89 HB3 HIS 12 HB1 HIS 12 -8.915 4.407 1.245
90 HD1 HIS 12 HD1 HIS 12 -10.521 3.182 -1.948
91 HD2 HIS 12 HD2 HIS 12 -9.537 6.742 -0.047
92 HE1 HIS 12 HE1 HIS 12 -10.870 5.017 -3.654
93 H ASP 13 HN ASP 13 -10.214 1.232 2.201
94 HA ASP 13 HA ASP 13 -8.228 1.391 4.202
95 HB2 ASP 13 HB2 ASP 13 -10.616 1.075 4.708
96 HB3 ASP 13 HB1 ASP 13 -10.556 -0.527 3.978
97 H LEU 14 HN LEU 14 -9.137 -1.192 1.942
98 HA LEU 14 HA LEU 14 -7.202 -3.028 2.965
99 HB2 LEU 14 HB2 LEU 14 -7.877 -4.508 1.294
100 HB3 LEU 14 HB1 LEU 14 -9.325 -3.621 1.712
101 HG LEU 14 HG LEU 14 -8.582 -2.128 -0.349
102 HD11 LEU 14 HD11 LEU 14 -7.581 -4.824 -1.206
103 HD12 LEU 14 HD12 LEU 14 -6.501 -3.581 -0.579
104 HD13 LEU 14 HD13 LEU 14 -7.438 -3.276 -2.042
105 HD21 LEU 14 HD21 LEU 14 -10.710 -3.278 -0.144
106 HD22 LEU 14 HD22 LEU 14 -9.944 -4.811 -0.557
107 HD23 LEU 14 HD23 LEU 14 -10.039 -3.523 -1.756
108 H ALA 15 HN ALA 15 -7.229 -0.556 0.530
109 HA ALA 15 HA ALA 15 -4.870 -1.364 -0.831
110 HB1 ALA 15 HB1 ALA 15 -6.123 1.374 -0.694
111 HB2 ALA 15 HB2 ALA 15 -6.546 0.108 -1.847
112 HB3 ALA 15 HB3 ALA 15 -4.934 0.823 -1.874
113 H ALA 16 HN ALA 16 -5.492 0.674 1.964
114 HA ALA 16 HA ALA 16 -3.152 2.095 2.165
115 HB1 ALA 16 HB1 ALA 16 -4.617 0.849 4.487
116 HB2 ALA 16 HB2 ALA 16 -5.079 2.345 3.679
117 HB3 ALA 16 HB3 ALA 16 -3.543 2.246 4.540
118 HA PRO 17 HA PRO 17 -0.893 -1.519 4.405
119 HB2 PRO 17 HB2 PRO 17 -2.006 -3.992 4.380
120 HB3 PRO 17 HB1 PRO 17 -2.377 -2.796 5.638
121 HG2 PRO 17 HG2 PRO 17 -3.959 -3.536 3.222
122 HG3 PRO 17 HG1 PRO 17 -4.506 -3.237 4.884
123 HD2 PRO 17 HD2 PRO 17 -4.712 -1.381 2.924
124 HD3 PRO 17 HD1 PRO 17 -4.481 -0.962 4.631
125 H VAL 18 HN VAL 18 -2.701 -2.191 1.480
126 HA VAL 18 HA VAL 18 -0.915 -4.120 0.391
127 HB VAL 18 HB VAL 18 -2.973 -2.332 -0.910
128 HG11 VAL 18 HG11 VAL 18 -1.276 -2.829 -2.565
129 HG12 VAL 18 HG12 VAL 18 -2.737 -3.754 -2.908
130 HG13 VAL 18 HG13 VAL 18 -1.348 -4.544 -2.161
131 HG21 VAL 18 HG21 VAL 18 -4.366 -4.246 -0.968
132 HG22 VAL 18 HG22 VAL 18 -3.694 -4.177 0.662
133 HG23 VAL 18 HG23 VAL 18 -3.038 -5.314 -0.515
134 H ILE 19 HN ILE 19 -1.334 -0.640 -0.160
135 HA ILE 19 HA ILE 19 0.845 -0.388 -1.965
136 HB ILE 19 HB ILE 19 -0.528 1.736 -0.311
137 HG12 ILE 19 HG12 ILE 19 -1.020 1.197 -3.225
138 HG13 ILE 19 HG11 ILE 19 -1.872 0.270 -1.995
139 HG21 ILE 19 HG21 ILE 19 0.330 3.283 -2.046
140 HG22 ILE 19 HG22 ILE 19 1.261 1.949 -2.728
141 HG23 ILE 19 HG23 ILE 19 1.607 2.524 -1.097
142 HD11 ILE 19 HD11 ILE 19 -3.135 2.215 -2.856
143 HD12 ILE 19 HD12 ILE 19 -1.899 3.270 -2.169
144 HD13 ILE 19 HD13 ILE 19 -2.875 2.249 -1.112
145 H ALA 20 HN ALA 20 0.431 0.257 1.494
146 HA ALA 20 HA ALA 20 3.002 1.324 1.945
147 HB1 ALA 20 HB1 ALA 20 1.142 1.639 3.501
148 HB2 ALA 20 HB2 ALA 20 2.547 0.944 4.310
149 HB3 ALA 20 HB3 ALA 20 1.174 -0.081 3.891
150 H GLY 21 HN GLY 21 1.752 -1.969 1.966
151 HA2 GLY 21 HA2 GLY 21 4.031 -3.189 3.137
152 HA3 GLY 21 HA1 GLY 21 2.804 -4.004 2.179
153 H ILE 22 HN ILE 22 3.055 -2.731 -0.245
154 HA ILE 22 HA ILE 22 5.316 -4.038 -1.349
155 HB ILE 22 HB ILE 22 3.470 -1.989 -2.585
156 HG12 ILE 22 HG12 ILE 22 3.503 -4.997 -2.902
157 HG13 ILE 22 HG11 ILE 22 2.437 -4.141 -1.791
158 HG21 ILE 22 HG21 ILE 22 5.548 -2.050 -3.809
159 HG22 ILE 22 HG22 ILE 22 4.296 -2.867 -4.744
160 HG23 ILE 22 HG23 ILE 22 5.500 -3.812 -3.868
161 HD11 ILE 22 HD11 ILE 22 2.486 -3.768 -4.777
162 HD12 ILE 22 HD12 ILE 22 1.371 -3.009 -3.642
163 HD13 ILE 22 HD13 ILE 22 1.327 -4.755 -3.888
164 H LEU 23 HN LEU 23 4.611 -0.710 -0.469
165 HA LEU 23 HA LEU 23 6.862 0.491 -1.679
166 HB2 LEU 23 HB2 LEU 23 5.002 1.850 -1.014
167 HB3 LEU 23 HB1 LEU 23 5.141 1.323 0.652
168 HG LEU 23 HG LEU 23 7.304 2.506 0.830
169 HD11 LEU 23 HD11 LEU 23 6.652 3.471 -1.951
170 HD12 LEU 23 HD12 LEU 23 7.993 2.420 -1.495
171 HD13 LEU 23 HD13 LEU 23 7.949 4.089 -0.928
172 HD21 LEU 23 HD21 LEU 23 6.388 4.760 0.862
173 HD22 LEU 23 HD22 LEU 23 5.223 3.602 1.505
174 HD23 LEU 23 HD23 LEU 23 5.028 4.233 -0.130
175 H ALA 24 HN ALA 24 6.350 -1.057 1.429
176 HA ALA 24 HA ALA 24 8.651 -0.197 2.759
177 HB1 ALA 24 HB1 ALA 24 8.352 -2.135 4.198
178 HB2 ALA 24 HB2 ALA 24 7.249 -2.854 3.025
179 HB3 ALA 24 HB3 ALA 24 6.801 -1.367 3.861
180 H SER 25 HN SER 25 8.141 -3.039 0.691
181 HA SER 25 HA SER 25 10.719 -4.122 0.956
182 HB2 SER 25 HB2 SER 25 8.766 -4.353 -1.346
183 HB3 SER 25 HB1 SER 25 10.190 -5.369 -1.121
184 HG SER 25 HG SER 25 9.280 -6.202 0.734
185 H MET 26 HN MET 26 9.392 -1.725 -1.261
186 HA MET 26 HA MET 26 11.608 -1.577 -3.003
187 HB2 MET 26 HB2 MET 26 9.505 0.483 -2.314
188 HB3 MET 26 HB1 MET 26 10.663 0.650 -3.626
189 HG2 MET 26 HG2 MET 26 9.742 -1.275 -4.742
190 HG3 MET 26 HG1 MET 26 8.650 -1.574 -3.392
191 HE1 MET 26 HE1 MET 26 9.545 1.997 -4.859
192 HE2 MET 26 HE2 MET 26 8.362 2.106 -6.163
193 HE3 MET 26 HE3 MET 26 9.647 0.900 -6.236
194 H ILE 27 HN ILE 27 10.704 0.376 -0.176
195 HA ILE 27 HA ILE 27 12.872 2.142 -0.247
196 HB ILE 27 HB ILE 27 11.313 1.179 2.155
197 HG12 ILE 27 HG12 ILE 27 10.968 3.666 0.464
198 HG13 ILE 27 HG11 ILE 27 9.967 2.225 0.337
199 HG21 ILE 27 HG21 ILE 27 13.413 2.186 2.836
200 HG22 ILE 27 HG22 ILE 27 12.072 3.264 3.221
201 HG23 ILE 27 HG23 ILE 27 13.093 3.593 1.822
202 HD11 ILE 27 HD11 ILE 27 9.245 2.551 2.662
203 HD12 ILE 27 HD12 ILE 27 8.839 3.919 1.625
204 HD13 ILE 27 HD13 ILE 27 10.207 4.028 2.733
205 H VAL 28 HN VAL 28 12.498 -0.983 1.407
206 HA VAL 28 HA VAL 28 14.991 -0.927 2.733
207 HB VAL 28 HB VAL 28 13.336 -3.306 1.872
208 HG11 VAL 28 HG11 VAL 28 14.607 -4.539 3.599
209 HG12 VAL 28 HG12 VAL 28 15.660 -3.136 3.788
210 HG13 VAL 28 HG13 VAL 28 15.615 -4.006 2.254
211 HG21 VAL 28 HG21 VAL 28 12.217 -1.728 3.415
212 HG22 VAL 28 HG22 VAL 28 13.541 -1.950 4.558
213 HG23 VAL 28 HG23 VAL 28 12.501 -3.311 4.138
214 H ASN 29 HN ASN 29 13.992 -2.250 -0.397
215 HA ASN 29 HA ASN 29 16.401 -3.489 -1.091
216 HB2 ASN 29 HB2 ASN 29 14.213 -2.278 -2.782
217 HB3 ASN 29 HB1 ASN 29 15.587 -3.133 -3.476
218 HD21 ASN 29 HD21 ASN 29 12.766 -3.786 -3.592
219 HD22 ASN 29 HD22 ASN 29 12.604 -5.363 -2.906
220 H TRP 30 HN TRP 30 15.289 -0.173 -1.520
221 HA TRP 30 HA TRP 30 17.453 0.738 -3.079
222 HB2 TRP 30 HB2 TRP 30 15.650 2.184 -3.141
223 HB3 TRP 30 HB1 TRP 30 15.327 2.026 -1.419
224 HD1 TRP 30 HD1 TRP 30 18.196 3.556 -3.572
225 HE1 TRP 30 HE1 TRP 30 18.878 5.785 -2.479
226 HE3 TRP 30 HE3 TRP 30 15.011 3.505 0.424
227 HZ2 TRP 30 HZ2 TRP 30 18.155 7.321 -0.221
228 HZ3 TRP 30 HZ3 TRP 30 15.067 5.388 2.004
229 HH2 TRP 30 HH2 TRP 30 16.607 7.258 1.687
230 H LEU 31 HN LEU 31 16.860 0.830 0.424
231 HA LEU 31 HA LEU 31 19.248 2.142 1.119
232 HB2 LEU 31 HB2 LEU 31 17.354 0.382 2.635
233 HB3 LEU 31 HB1 LEU 31 18.816 1.000 3.382
234 HG LEU 31 HG LEU 31 16.857 2.859 2.079
235 HD11 LEU 31 HD11 LEU 31 15.792 3.172 4.247
236 HD12 LEU 31 HD12 LEU 31 16.783 1.883 4.929
237 HD13 LEU 31 HD13 LEU 31 15.595 1.515 3.679
238 HD21 LEU 31 HD21 LEU 31 18.843 3.205 4.321
239 HD22 LEU 31 HD22 LEU 31 17.828 4.467 3.623
240 HD23 LEU 31 HD23 LEU 31 19.084 3.705 2.648
241 H ASN 32 HN ASN 32 18.523 -1.212 0.459
242 HA ASN 32 HA ASN 32 20.864 -2.329 1.606
243 HB2 ASN 32 HB2 ASN 32 19.049 -3.344 -0.592
244 HB3 ASN 32 HB1 ASN 32 20.354 -4.288 0.120
245 HD21 ASN 32 HD21 ASN 32 17.472 -4.766 0.079
246 HD22 ASN 32 HD22 ASN 32 16.993 -4.909 1.733
247 H LYS 33 HN LYS 33 20.235 -0.608 -1.292
248 HA LYS 33 HA LYS 33 22.581 -1.543 -2.692
249 HB2 LYS 33 HB2 LYS 33 20.669 -0.938 -4.021
250 HB3 LYS 33 HB1 LYS 33 20.579 0.647 -3.268
251 HG2 LYS 33 HG2 LYS 33 23.085 -0.046 -4.692
252 HG3 LYS 33 HG1 LYS 33 21.646 0.265 -5.664
253 HD2 LYS 33 HD2 LYS 33 21.415 2.454 -4.787
254 HD3 LYS 33 HD1 LYS 33 22.589 2.142 -3.509
255 HE2 LYS 33 HE2 LYS 33 24.303 1.816 -5.332
256 HE3 LYS 33 HE1 LYS 33 23.101 2.446 -6.458
257 HZ1 LYS 33 HZ1 LYS 33 24.121 3.896 -4.076
258 HZ2 LYS 33 HZ2 LYS 33 23.035 4.500 -5.224
259 HZ3 LYS 33 HZ3 LYS 33 24.632 4.163 -5.666
260 H ARG 34 HN ARG 34 21.733 1.020 -0.523
261 HA ARG 34 HA ARG 34 23.898 2.760 -1.171
262 HB2 ARG 34 HB2 ARG 34 22.475 2.670 1.480
263 HB3 ARG 34 HB1 ARG 34 23.249 4.046 0.711
264 HG2 ARG 34 HG2 ARG 34 21.446 3.683 -1.132
265 HG3 ARG 34 HG1 ARG 34 20.601 2.798 0.142
266 HD2 ARG 34 HD2 ARG 34 21.482 5.679 0.172
267 HD3 ARG 34 HD1 ARG 34 19.833 5.055 0.197
268 HE ARG 34 HE ARG 34 20.741 4.004 2.434
269 HH11 ARG 34 HH11 ARG 34 21.249 7.205 1.158
270 HH12 ARG 34 HH12 ARG 34 21.410 7.941 2.718
271 HH21 ARG 34 HH21 ARG 34 20.953 4.962 4.493
272 HH22 ARG 34 HH22 ARG 34 21.241 6.666 4.614
273 H LYS 35 HN LYS 35 23.644 -0.135 0.625
274 HA LYS 35 HA LYS 35 25.092 -1.327 1.909
275 HB2 LYS 35 HB2 LYS 35 26.897 0.336 0.211
276 HB3 LYS 35 HB1 LYS 35 27.605 -0.577 1.536
277 HG2 LYS 35 HG2 LYS 35 27.766 -1.876 -0.461
278 HG3 LYS 35 HG1 LYS 35 26.576 -2.631 0.602
279 HD2 LYS 35 HD2 LYS 35 24.775 -1.554 -0.688
280 HD3 LYS 35 HD1 LYS 35 25.985 -0.860 -1.770
281 HE2 LYS 35 HE2 LYS 35 25.489 -3.801 -1.316
282 HE3 LYS 35 HE1 LYS 35 24.981 -2.873 -2.727
283 HZ1 LYS 35 HZ1 LYS 35 27.021 -4.118 -3.139
284 HZ2 LYS 35 HZ2 LYS 35 27.796 -3.299 -1.879
285 HZ3 LYS 35 HZ3 LYS 35 27.292 -2.451 -3.253
Start of MODEL 2
1 H1 MET 1 HT1 MET 1 -28.360 -1.458 3.210
2 H2 MET 1 HT2 MET 1 -27.921 -2.444 1.908
3 H3 MET 1 HT3 MET 1 -28.736 -0.989 1.628
4 HA MET 1 HA MET 1 -26.862 0.263 2.475
5 HB2 MET 1 HB2 MET 1 -26.107 -1.620 3.979
6 HB3 MET 1 HB1 MET 1 -25.424 -2.393 2.555
7 HG2 MET 1 HG2 MET 1 -24.013 -0.388 2.205
8 HG3 MET 1 HG1 MET 1 -24.634 0.266 3.720
9 HE1 MET 1 HE1 MET 1 -23.303 -2.362 6.318
10 HE2 MET 1 HE2 MET 1 -24.841 -2.476 5.461
11 HE3 MET 1 HE3 MET 1 -24.286 -0.918 6.075
12 H THR 2 HN THR 2 -25.266 1.003 1.028
13 HA THR 2 HA THR 2 -25.605 -0.034 -1.680
14 HB THR 2 HB THR 2 -23.900 2.216 -1.714
15 HG1 THR 2 HG1 THR 2 -26.130 3.203 -0.472
16 HG21 THR 2 HG21 THR 2 -26.853 1.965 -2.299
17 HG22 THR 2 HG22 THR 2 -25.537 1.639 -3.427
18 HG23 THR 2 HG23 THR 2 -25.810 3.280 -2.841
19 H PHE 3 HN PHE 3 -24.125 -1.238 -2.655
20 HA PHE 3 HA PHE 3 -21.755 -2.071 -1.375
21 HB2 PHE 3 HB2 PHE 3 -23.181 -3.145 -3.331
22 HB3 PHE 3 HB1 PHE 3 -22.029 -2.282 -4.345
23 HD1 PHE 3 HD1 PHE 3 -22.026 -4.474 -1.331
24 HD2 PHE 3 HD2 PHE 3 -20.155 -3.431 -5.006
25 HE1 PHE 3 HE1 PHE 3 -20.408 -6.297 -1.017
26 HE2 PHE 3 HE2 PHE 3 -18.532 -5.255 -4.702
27 HZ PHE 3 HZ PHE 3 -18.657 -6.692 -2.705
28 H ALA 4 HN ALA 4 -22.442 0.448 -3.712
29 HA ALA 4 HA ALA 4 -19.761 1.017 -4.427
30 HB1 ALA 4 HB1 ALA 4 -20.639 3.097 -5.342
31 HB2 ALA 4 HB2 ALA 4 -22.164 2.841 -4.493
32 HB3 ALA 4 HB3 ALA 4 -21.675 1.737 -5.779
33 H GLU 5 HN GLU 5 -21.933 2.295 -1.944
34 HA GLU 5 HA GLU 5 -20.223 4.327 -1.004
35 HB2 GLU 5 HB2 GLU 5 -22.429 2.787 0.375
36 HB3 GLU 5 HB1 GLU 5 -21.603 4.160 1.100
37 HG2 GLU 5 HG2 GLU 5 -23.202 4.212 -1.450
38 HG3 GLU 5 HG1 GLU 5 -23.736 4.805 0.122
39 H LEU 6 HN LEU 6 -20.496 0.906 -0.276
40 HA LEU 6 HA LEU 6 -18.530 1.062 1.850
41 HB2 LEU 6 HB2 LEU 6 -20.521 -0.523 1.832
42 HB3 LEU 6 HB1 LEU 6 -19.669 -1.427 0.592
43 HG LEU 6 HG LEU 6 -18.085 -0.922 3.016
44 HD11 LEU 6 HD11 LEU 6 -20.508 -2.712 3.122
45 HD12 LEU 6 HD12 LEU 6 -20.257 -1.239 4.058
46 HD13 LEU 6 HD13 LEU 6 -19.226 -2.643 4.331
47 HD21 LEU 6 HD21 LEU 6 -17.343 -2.359 1.172
48 HD22 LEU 6 HD22 LEU 6 -18.729 -3.414 1.444
49 HD23 LEU 6 HD23 LEU 6 -17.486 -3.255 2.684
50 H GLY 7 HN GLY 7 -18.560 0.805 -1.507
51 HA2 GLY 7 HA2 GLY 7 -16.334 -0.906 -1.925
52 HA3 GLY 7 HA1 GLY 7 -16.972 0.257 -3.076
53 H MET 8 HN MET 8 -16.605 2.633 -1.727
54 HA MET 8 HA MET 8 -13.852 3.115 -2.210
55 HB2 MET 8 HB2 MET 8 -15.974 4.827 -0.905
56 HB3 MET 8 HB1 MET 8 -14.359 5.397 -1.302
57 HG2 MET 8 HG2 MET 8 -16.345 4.332 -3.296
58 HG3 MET 8 HG1 MET 8 -16.065 6.039 -2.960
59 HE1 MET 8 HE1 MET 8 -15.940 4.981 -5.875
60 HE2 MET 8 HE2 MET 8 -14.437 5.678 -6.480
61 HE3 MET 8 HE3 MET 8 -15.512 6.643 -5.468
62 H ALA 9 HN ALA 9 -15.763 2.990 0.790
63 HA ALA 9 HA ALA 9 -13.667 3.612 2.548
64 HB1 ALA 9 HB1 ALA 9 -16.106 1.923 3.089
65 HB2 ALA 9 HB2 ALA 9 -16.033 3.682 3.182
66 HB3 ALA 9 HB3 ALA 9 -15.085 2.700 4.299
67 H PHE 10 HN PHE 10 -14.874 0.486 1.395
68 HA PHE 10 HA PHE 10 -13.088 -1.083 2.947
69 HB2 PHE 10 HB2 PHE 10 -15.049 -2.164 2.208
70 HB3 PHE 10 HB1 PHE 10 -14.818 -1.638 0.547
71 HD1 PHE 10 HD1 PHE 10 -14.550 -3.439 -0.816
72 HD2 PHE 10 HD2 PHE 10 -12.622 -3.443 2.978
73 HE1 PHE 10 HE1 PHE 10 -13.487 -5.591 -1.363
74 HE2 PHE 10 HE2 PHE 10 -11.558 -5.595 2.440
75 HZ PHE 10 HZ PHE 10 -11.989 -6.672 0.267
76 H TRP 11 HN TRP 11 -12.983 0.096 -0.405
77 HA TRP 11 HA TRP 11 -10.610 -1.254 -1.109
78 HB2 TRP 11 HB2 TRP 11 -12.241 0.915 -2.263
79 HB3 TRP 11 HB1 TRP 11 -10.544 0.912 -2.735
80 HD1 TRP 11 HD1 TRP 11 -13.760 -0.526 -3.734
81 HE1 TRP 11 HE1 TRP 11 -13.428 -2.493 -5.359
82 HE3 TRP 11 HE3 TRP 11 -8.757 -1.309 -3.045
83 HZ2 TRP 11 HZ2 TRP 11 -11.323 -4.160 -6.231
84 HZ3 TRP 11 HZ3 TRP 11 -7.659 -3.111 -4.312
85 HH2 TRP 11 HH2 TRP 11 -8.919 -4.507 -5.871
86 H HIS 12 HN HIS 12 -11.200 1.942 0.262
87 HA HIS 12 HA HIS 12 -8.506 2.813 0.151
88 HB2 HIS 12 HB2 HIS 12 -10.890 3.713 1.762
89 HB3 HIS 12 HB1 HIS 12 -9.309 4.470 1.928
90 HD1 HIS 12 HD1 HIS 12 -10.615 3.402 -1.440
91 HD2 HIS 12 HD2 HIS 12 -10.121 6.858 0.813
92 HE1 HIS 12 HE1 HIS 12 -11.032 5.340 -3.011
93 H ASP 13 HN ASP 13 -10.426 1.177 2.623
94 HA ASP 13 HA ASP 13 -8.482 1.308 4.670
95 HB2 ASP 13 HB2 ASP 13 -10.843 0.874 5.149
96 HB3 ASP 13 HB1 ASP 13 -10.746 -0.659 4.289
97 H LEU 14 HN LEU 14 -9.238 -1.166 2.239
98 HA LEU 14 HA LEU 14 -7.255 -2.985 3.191
99 HB2 LEU 14 HB2 LEU 14 -7.837 -4.390 1.430
100 HB3 LEU 14 HB1 LEU 14 -9.326 -3.578 1.854
101 HG LEU 14 HG LEU 14 -8.628 -1.954 -0.101
102 HD11 LEU 14 HD11 LEU 14 -6.456 -2.952 -0.506
103 HD12 LEU 14 HD12 LEU 14 -7.502 -3.185 -1.907
104 HD13 LEU 14 HD13 LEU 14 -7.207 -4.520 -0.792
105 HD21 LEU 14 HD21 LEU 14 -9.734 -4.718 -0.586
106 HD22 LEU 14 HD22 LEU 14 -9.959 -3.307 -1.620
107 HD23 LEU 14 HD23 LEU 14 -10.658 -3.334 0.000
108 H ALA 15 HN ALA 15 -7.295 -0.361 0.912
109 HA ALA 15 HA ALA 15 -4.886 -1.033 -0.438
110 HB1 ALA 15 HB1 ALA 15 -6.572 0.460 -1.407
111 HB2 ALA 15 HB2 ALA 15 -4.976 1.209 -1.355
112 HB3 ALA 15 HB3 ALA 15 -6.204 1.665 -0.173
113 H ALA 16 HN ALA 16 -5.610 0.839 2.448
114 HA ALA 16 HA ALA 16 -3.322 2.299 2.798
115 HB1 ALA 16 HB1 ALA 16 -4.583 0.856 5.106
116 HB2 ALA 16 HB2 ALA 16 -5.402 2.175 4.274
117 HB3 ALA 16 HB3 ALA 16 -3.853 2.461 5.068
118 HA PRO 17 HA PRO 17 -0.986 -1.402 4.817
119 HB2 PRO 17 HB2 PRO 17 -2.023 -3.897 4.578
120 HB3 PRO 17 HB1 PRO 17 -2.461 -2.811 5.912
121 HG2 PRO 17 HG2 PRO 17 -3.957 -3.407 3.405
122 HG3 PRO 17 HG1 PRO 17 -4.556 -3.259 5.070
123 HD2 PRO 17 HD2 PRO 17 -4.776 -1.261 3.258
124 HD3 PRO 17 HD1 PRO 17 -4.595 -0.970 4.997
125 H VAL 18 HN VAL 18 -2.699 -1.881 1.805
126 HA VAL 18 HA VAL 18 -0.848 -3.692 0.623
127 HB VAL 18 HB VAL 18 -2.923 -1.873 -0.604
128 HG11 VAL 18 HG11 VAL 18 -1.200 -2.267 -2.258
129 HG12 VAL 18 HG12 VAL 18 -2.642 -3.198 -2.663
130 HG13 VAL 18 HG13 VAL 18 -1.250 -4.000 -1.936
131 HG21 VAL 18 HG21 VAL 18 -3.595 -3.832 0.882
132 HG22 VAL 18 HG22 VAL 18 -2.974 -4.870 -0.402
133 HG23 VAL 18 HG23 VAL 18 -4.310 -3.765 -0.729
134 H ILE 19 HN ILE 19 -1.332 -0.188 0.322
135 HA ILE 19 HA ILE 19 0.831 0.222 -1.469
136 HB ILE 19 HB ILE 19 -0.464 2.250 0.355
137 HG12 ILE 19 HG12 ILE 19 -1.205 1.760 -2.519
138 HG13 ILE 19 HG11 ILE 19 -1.973 0.849 -1.222
139 HG21 ILE 19 HG21 ILE 19 1.067 2.555 -2.226
140 HG22 ILE 19 HG22 ILE 19 1.620 3.023 -0.618
141 HG23 ILE 19 HG23 ILE 19 0.256 3.860 -1.360
142 HD11 ILE 19 HD11 ILE 19 -3.302 2.774 -1.917
143 HD12 ILE 19 HD12 ILE 19 -1.972 3.846 -1.478
144 HD13 ILE 19 HD13 ILE 19 -2.791 2.900 -0.234
145 H ALA 20 HN ALA 20 0.472 0.509 2.039
146 HA ALA 20 HA ALA 20 3.007 1.634 2.551
147 HB1 ALA 20 HB1 ALA 20 1.172 1.683 4.171
148 HB2 ALA 20 HB2 ALA 20 2.633 0.982 4.866
149 HB3 ALA 20 HB3 ALA 20 1.303 -0.065 4.370
150 H GLY 21 HN GLY 21 1.908 -1.690 2.195
151 HA2 GLY 21 HA2 GLY 21 4.266 -2.925 3.188
152 HA3 GLY 21 HA1 GLY 21 3.051 -3.686 2.172
153 H ILE 22 HN ILE 22 3.192 -2.145 -0.106
154 HA ILE 22 HA ILE 22 5.476 -3.239 -1.381
155 HB ILE 22 HB ILE 22 3.572 -1.127 -2.403
156 HG12 ILE 22 HG12 ILE 22 3.555 -4.115 -2.878
157 HG13 ILE 22 HG11 ILE 22 2.526 -3.299 -1.706
158 HG21 ILE 22 HG21 ILE 22 4.330 -1.841 -4.629
159 HG22 ILE 22 HG22 ILE 22 5.510 -2.912 -3.873
160 HG23 ILE 22 HG23 ILE 22 5.645 -1.166 -3.667
161 HD11 ILE 22 HD11 ILE 22 2.510 -2.849 -4.682
162 HD12 ILE 22 HD12 ILE 22 1.477 -2.034 -3.507
163 HD13 ILE 22 HD13 ILE 22 1.324 -3.773 -3.758
164 H LEU 23 HN LEU 23 4.664 -0.011 -0.209
165 HA LEU 23 HA LEU 23 6.834 1.361 -1.366
166 HB2 LEU 23 HB2 LEU 23 5.012 2.636 -0.528
167 HB3 LEU 23 HB1 LEU 23 5.145 1.914 1.064
168 HG LEU 23 HG LEU 23 7.256 3.095 1.442
169 HD11 LEU 23 HD11 LEU 23 6.765 4.303 -1.276
170 HD12 LEU 23 HD12 LEU 23 8.067 3.195 -0.847
171 HD13 LEU 23 HD13 LEU 23 8.013 4.809 -0.138
172 HD21 LEU 23 HD21 LEU 23 5.132 4.150 2.079
173 HD22 LEU 23 HD22 LEU 23 5.062 4.938 0.503
174 HD23 LEU 23 HD23 LEU 23 6.355 5.340 1.632
175 H ALA 24 HN ALA 24 6.480 -0.402 1.659
176 HA ALA 24 HA ALA 24 8.927 0.355 2.829
177 HB1 ALA 24 HB1 ALA 24 7.336 -2.182 3.192
178 HB2 ALA 24 HB2 ALA 24 7.147 -0.692 4.115
179 HB3 ALA 24 HB3 ALA 24 8.636 -1.628 4.248
180 H SER 25 HN SER 25 8.070 -2.177 0.541
181 HA SER 25 HA SER 25 10.473 -3.631 0.642
182 HB2 SER 25 HB2 SER 25 8.551 -3.263 -1.670
183 HB3 SER 25 HB1 SER 25 9.813 -4.492 -1.586
184 HG SER 25 HG SER 25 8.260 -5.615 -0.701
185 H MET 26 HN MET 26 9.449 -0.965 -1.479
186 HA MET 26 HA MET 26 11.746 -0.840 -3.059
187 HB2 MET 26 HB2 MET 26 9.930 1.431 -2.228
188 HB3 MET 26 HB1 MET 26 11.066 1.471 -3.570
189 HG2 MET 26 HG2 MET 26 9.799 -0.466 -4.555
190 HG3 MET 26 HG1 MET 26 8.583 -0.198 -3.307
191 HE1 MET 26 HE1 MET 26 8.707 3.004 -3.064
192 HE2 MET 26 HE2 MET 26 7.198 2.091 -3.073
193 HE3 MET 26 HE3 MET 26 7.405 3.463 -4.161
194 H ILE 27 HN ILE 27 11.021 0.672 0.056
195 HA ILE 27 HA ILE 27 13.323 2.289 0.205
196 HB ILE 27 HB ILE 27 11.719 1.070 2.460
197 HG12 ILE 27 HG12 ILE 27 11.581 3.816 1.190
198 HG13 ILE 27 HG11 ILE 27 10.415 2.521 0.940
199 HG21 ILE 27 HG21 ILE 27 13.721 3.328 2.486
200 HG22 ILE 27 HG22 ILE 27 13.916 1.743 3.235
201 HG23 ILE 27 HG23 ILE 27 12.695 2.860 3.842
202 HD11 ILE 27 HD11 ILE 27 10.989 3.913 3.545
203 HD12 ILE 27 HD12 ILE 27 9.840 2.595 3.317
204 HD13 ILE 27 HD13 ILE 27 9.573 4.145 2.519
205 H VAL 28 HN VAL 28 12.673 -1.003 1.372
206 HA VAL 28 HA VAL 28 15.171 -1.415 2.598
207 HB VAL 28 HB VAL 28 13.303 -3.458 1.384
208 HG11 VAL 28 HG11 VAL 28 15.608 -3.814 3.297
209 HG12 VAL 28 HG12 VAL 28 15.525 -4.395 1.634
210 HG13 VAL 28 HG13 VAL 28 14.449 -5.067 2.858
211 HG21 VAL 28 HG21 VAL 28 12.501 -3.768 3.660
212 HG22 VAL 28 HG22 VAL 28 12.292 -2.091 3.156
213 HG23 VAL 28 HG23 VAL 28 13.615 -2.528 4.237
214 H ASN 29 HN ASN 29 14.044 -2.171 -0.692
215 HA ASN 29 HA ASN 29 16.372 -3.451 -1.576
216 HB2 ASN 29 HB2 ASN 29 14.172 -1.988 -3.010
217 HB3 ASN 29 HB1 ASN 29 15.554 -2.629 -3.893
218 HD21 ASN 29 HD21 ASN 29 12.565 -3.324 -2.444
219 HD22 ASN 29 HD22 ASN 29 12.566 -5.031 -2.704
220 H TRP 30 HN TRP 30 15.489 -0.041 -1.504
221 HA TRP 30 HA TRP 30 17.677 0.901 -3.027
222 HB2 TRP 30 HB2 TRP 30 15.917 2.421 -2.848
223 HB3 TRP 30 HB1 TRP 30 15.736 2.162 -1.118
224 HD1 TRP 30 HD1 TRP 30 18.585 3.571 -3.375
225 HE1 TRP 30 HE1 TRP 30 19.507 5.684 -2.231
226 HE3 TRP 30 HE3 TRP 30 15.605 3.610 0.778
227 HZ2 TRP 30 HZ2 TRP 30 19.032 7.172 0.123
228 HZ3 TRP 30 HZ3 TRP 30 15.903 5.409 2.428
229 HH2 TRP 30 HH2 TRP 30 17.582 7.154 2.106
230 H LEU 31 HN LEU 31 17.155 0.742 0.491
231 HA LEU 31 HA LEU 31 19.685 1.749 1.200
232 HB2 LEU 31 HB2 LEU 31 17.611 0.150 2.653
233 HB3 LEU 31 HB1 LEU 31 19.151 0.522 3.408
234 HG LEU 31 HG LEU 31 17.439 2.700 2.258
235 HD11 LEU 31 HD11 LEU 31 17.270 1.567 5.044
236 HD12 LEU 31 HD12 LEU 31 16.027 1.445 3.800
237 HD13 LEU 31 HD13 LEU 31 16.457 3.020 4.465
238 HD21 LEU 31 HD21 LEU 31 18.634 4.062 3.887
239 HD22 LEU 31 HD22 LEU 31 19.759 3.219 2.822
240 HD23 LEU 31 HD23 LEU 31 19.493 2.634 4.464
241 H ASN 32 HN ASN 32 18.587 -1.452 0.365
242 HA ASN 32 HA ASN 32 20.860 -2.837 1.408
243 HB2 ASN 32 HB2 ASN 32 18.643 -3.638 -0.467
244 HB3 ASN 32 HB1 ASN 32 19.954 -4.731 -0.038
245 HD21 ASN 32 HD21 ASN 32 18.460 -6.142 0.910
246 HD22 ASN 32 HD22 ASN 32 17.767 -5.816 2.459
247 H LYS 33 HN LYS 33 20.350 -1.017 -1.454
248 HA LYS 33 HA LYS 33 22.530 -2.424 -2.825
249 HB2 LYS 33 HB2 LYS 33 21.813 -1.452 -4.849
250 HB3 LYS 33 HB1 LYS 33 20.340 -1.918 -4.013
251 HG2 LYS 33 HG2 LYS 33 19.661 0.146 -4.541
252 HG3 LYS 33 HG1 LYS 33 20.637 0.636 -3.156
253 HD2 LYS 33 HD2 LYS 33 22.545 1.027 -4.652
254 HD3 LYS 33 HD1 LYS 33 21.546 0.565 -6.032
255 HE2 LYS 33 HE2 LYS 33 21.104 2.912 -4.190
256 HE3 LYS 33 HE1 LYS 33 21.656 2.977 -5.863
257 HZ1 LYS 33 HZ1 LYS 33 19.311 3.487 -5.713
258 HZ2 LYS 33 HZ2 LYS 33 19.001 2.013 -4.944
259 HZ3 LYS 33 HZ3 LYS 33 19.530 2.033 -6.551
260 H ARG 34 HN ARG 34 21.741 0.597 -1.293
261 HA ARG 34 HA ARG 34 24.074 1.955 -2.328
262 HB2 ARG 34 HB2 ARG 34 23.379 3.818 -0.914
263 HB3 ARG 34 HB1 ARG 34 22.023 3.216 -1.857
264 HG2 ARG 34 HG2 ARG 34 21.048 2.177 0.023
265 HG3 ARG 34 HG1 ARG 34 22.514 2.378 0.985
266 HD2 ARG 34 HD2 ARG 34 20.775 4.616 -0.047
267 HD3 ARG 34 HD1 ARG 34 20.759 3.990 1.600
268 HE ARG 34 HE ARG 34 23.375 4.780 0.887
269 HH11 ARG 34 HH11 ARG 34 20.258 6.097 1.714
270 HH12 ARG 34 HH12 ARG 34 20.907 7.569 2.357
271 HH21 ARG 34 HH21 ARG 34 24.239 6.715 1.735
272 HH22 ARG 34 HH22 ARG 34 23.168 7.919 2.371
273 H LYS 35 HN LYS 35 24.155 -0.549 -0.561
274 HA LYS 35 HA LYS 35 25.293 0.156 1.917
275 HB2 LYS 35 HB2 LYS 35 26.238 -2.202 1.829
276 HB3 LYS 35 HB1 LYS 35 24.491 -2.055 1.707
277 HG2 LYS 35 HG2 LYS 35 24.712 -2.256 -0.763
278 HG3 LYS 35 HG1 LYS 35 26.432 -2.575 -0.533
279 HD2 LYS 35 HD2 LYS 35 25.834 -4.507 0.902
280 HD3 LYS 35 HD1 LYS 35 24.134 -4.214 0.532
281 HE2 LYS 35 HE2 LYS 35 25.026 -5.973 -0.888
282 HE3 LYS 35 HE1 LYS 35 24.596 -4.558 -1.848
283 HZ1 LYS 35 HZ1 LYS 35 27.338 -5.280 -0.960
284 HZ2 LYS 35 HZ2 LYS 35 26.929 -3.918 -1.875
285 HZ3 LYS 35 HZ3 LYS 35 26.724 -5.467 -2.526
Start of MODEL 3
1 H1 MET 1 HT1 MET 1 27.930 -1.945 -1.149
2 H2 MET 1 HT2 MET 1 27.449 -2.663 -2.603
3 H3 MET 1 HT3 MET 1 26.789 -3.195 -1.139
4 HA MET 1 HA MET 1 26.421 -0.506 -2.324
5 HB2 MET 1 HB2 MET 1 24.101 -1.207 -2.695
6 HB3 MET 1 HB1 MET 1 25.225 -2.237 -3.570
7 HG2 MET 1 HG2 MET 1 25.031 -3.903 -1.739
8 HG3 MET 1 HG1 MET 1 23.787 -2.888 -1.009
9 HE1 MET 1 HE1 MET 1 23.379 -4.985 -5.099
10 HE2 MET 1 HE2 MET 1 24.790 -5.120 -4.050
11 HE3 MET 1 HE3 MET 1 24.428 -3.589 -4.849
12 H THR 2 HN THR 2 25.196 0.929 -1.131
13 HA THR 2 HA THR 2 25.316 0.581 1.714
14 HB THR 2 HB THR 2 23.720 2.842 1.088
15 HG1 THR 2 HG1 THR 2 25.605 3.763 -0.297
16 HG21 THR 2 HG21 THR 2 25.672 4.079 1.924
17 HG22 THR 2 HG22 THR 2 26.647 2.614 1.800
18 HG23 THR 2 HG23 THR 2 25.303 2.685 2.940
19 H PHE 3 HN PHE 3 23.800 -0.143 3.032
20 HA PHE 3 HA PHE 3 21.373 -1.220 2.099
21 HB2 PHE 3 HB2 PHE 3 22.767 -1.733 4.258
22 HB3 PHE 3 HB1 PHE 3 21.770 -0.471 4.975
23 HD1 PHE 3 HD1 PHE 3 21.326 -3.461 2.804
24 HD2 PHE 3 HD2 PHE 3 19.892 -1.169 6.087
25 HE1 PHE 3 HE1 PHE 3 19.531 -5.107 3.161
26 HE2 PHE 3 HE2 PHE 3 18.094 -2.810 6.454
27 HZ PHE 3 HZ PHE 3 17.911 -4.783 4.990
28 H ALA 4 HN ALA 4 22.217 1.878 3.506
29 HA ALA 4 HA ALA 4 19.596 2.782 4.047
30 HB1 ALA 4 HB1 ALA 4 20.585 5.007 4.171
31 HB2 ALA 4 HB2 ALA 4 22.062 4.404 3.419
32 HB3 ALA 4 HB3 ALA 4 21.586 3.827 5.016
33 H GLU 5 HN GLU 5 21.660 2.962 1.196
34 HA GLU 5 HA GLU 5 19.953 4.659 -0.312
35 HB2 GLU 5 HB2 GLU 5 22.102 2.721 -1.187
36 HB3 GLU 5 HB1 GLU 5 21.300 3.860 -2.260
37 HG2 GLU 5 HG2 GLU 5 22.974 4.570 0.138
38 HG3 GLU 5 HG1 GLU 5 23.471 4.684 -1.550
39 H LEU 6 HN LEU 6 20.384 1.142 -0.154
40 HA LEU 6 HA LEU 6 18.321 0.651 -2.102
41 HB2 LEU 6 HB2 LEU 6 20.385 -0.805 -1.563
42 HB3 LEU 6 HB1 LEU 6 19.445 -1.386 -0.201
43 HG LEU 6 HG LEU 6 18.100 -1.519 -2.832
44 HD11 LEU 6 HD11 LEU 6 20.408 -3.327 -2.129
45 HD12 LEU 6 HD12 LEU 6 20.358 -2.171 -3.460
46 HD13 LEU 6 HD13 LEU 6 19.281 -3.567 -3.464
47 HD21 LEU 6 HD21 LEU 6 18.421 -3.463 -0.547
48 HD22 LEU 6 HD22 LEU 6 17.355 -3.664 -1.938
49 HD23 LEU 6 HD23 LEU 6 17.063 -2.364 -0.784
50 H GLY 7 HN GLY 7 18.393 1.383 1.190
51 HA2 GLY 7 HA2 GLY 7 16.206 -0.180 2.112
52 HA3 GLY 7 HA1 GLY 7 16.840 1.264 2.883
53 H MET 8 HN MET 8 16.406 3.174 0.949
54 HA MET 8 HA MET 8 13.637 3.693 1.322
55 HB2 MET 8 HB2 MET 8 15.708 5.094 -0.374
56 HB3 MET 8 HB1 MET 8 14.077 5.696 -0.109
57 HG2 MET 8 HG2 MET 8 16.164 5.246 2.013
58 HG3 MET 8 HG1 MET 8 15.680 6.803 1.343
59 HE1 MET 8 HE1 MET 8 15.305 7.652 3.875
60 HE2 MET 8 HE2 MET 8 15.740 6.055 4.485
61 HE3 MET 8 HE3 MET 8 14.249 6.829 5.023
62 H ALA 9 HN ALA 9 15.573 2.799 -1.516
63 HA ALA 9 HA ALA 9 13.487 2.917 -3.400
64 HB1 ALA 9 HB1 ALA 9 15.941 1.165 -3.462
65 HB2 ALA 9 HB2 ALA 9 15.870 2.842 -4.003
66 HB3 ALA 9 HB3 ALA 9 14.932 1.605 -4.840
67 H PHE 10 HN PHE 10 14.725 0.243 -1.439
68 HA PHE 10 HA PHE 10 12.982 -1.722 -2.517
69 HB2 PHE 10 HB2 PHE 10 14.954 -2.523 -1.499
70 HB3 PHE 10 HB1 PHE 10 14.689 -1.579 -0.040
71 HD1 PHE 10 HD1 PHE 10 12.668 -4.070 -1.962
72 HD2 PHE 10 HD2 PHE 10 14.322 -2.889 1.776
73 HE1 PHE 10 HE1 PHE 10 11.626 -6.023 -0.888
74 HE2 PHE 10 HE2 PHE 10 13.282 -4.836 2.860
75 HZ PHE 10 HZ PHE 10 11.931 -6.409 1.526
76 H TRP 11 HN TRP 11 12.830 0.311 0.397
77 HA TRP 11 HA TRP 11 10.469 -0.838 1.427
78 HB2 TRP 11 HB2 TRP 11 12.067 1.575 1.975
79 HB3 TRP 11 HB1 TRP 11 10.363 1.699 2.397
80 HD1 TRP 11 HD1 TRP 11 13.531 0.660 3.861
81 HE1 TRP 11 HE1 TRP 11 13.162 -0.818 5.936
82 HE3 TRP 11 HE3 TRP 11 8.586 -0.448 3.195
83 HZ2 TRP 11 HZ2 TRP 11 11.051 -2.264 7.131
84 HZ3 TRP 11 HZ3 TRP 11 7.466 -1.885 4.847
85 HH2 TRP 11 HH2 TRP 11 8.674 -2.775 6.774
86 H HIS 12 HN HIS 12 11.017 1.924 -0.701
87 HA HIS 12 HA HIS 12 8.305 2.725 -0.851
88 HB2 HIS 12 HB2 HIS 12 10.687 3.240 -2.633
89 HB3 HIS 12 HB1 HIS 12 9.097 3.926 -2.954
90 HD1 HIS 12 HD1 HIS 12 10.260 3.717 0.595
91 HD2 HIS 12 HD2 HIS 12 10.091 6.495 -2.490
92 HE1 HIS 12 HE1 HIS 12 10.749 5.968 1.640
93 H ASP 13 HN ASP 13 10.303 0.559 -2.790
94 HA ASP 13 HA ASP 13 8.395 0.129 -4.836
95 HB2 ASP 13 HB2 ASP 13 10.740 -0.323 -5.235
96 HB3 ASP 13 HB1 ASP 13 10.759 -1.535 -3.958
97 H LEU 14 HN LEU 14 9.184 -1.650 -1.865
98 HA LEU 14 HA LEU 14 7.305 -3.738 -2.382
99 HB2 LEU 14 HB2 LEU 14 7.903 -4.648 -0.326
100 HB3 LEU 14 HB1 LEU 14 9.365 -3.878 -0.897
101 HG LEU 14 HG LEU 14 8.471 -1.874 0.596
102 HD11 LEU 14 HD11 LEU 14 7.407 -4.273 2.067
103 HD12 LEU 14 HD12 LEU 14 6.389 -3.180 1.130
104 HD13 LEU 14 HD13 LEU 14 7.283 -2.573 2.526
105 HD21 LEU 14 HD21 LEU 14 9.826 -2.804 2.453
106 HD22 LEU 14 HD22 LEU 14 10.620 -2.918 0.883
107 HD23 LEU 14 HD23 LEU 14 9.875 -4.346 1.599
108 H ALA 15 HN ALA 15 7.176 -0.653 -0.784
109 HA ALA 15 HA ALA 15 4.760 -1.102 0.641
110 HB1 ALA 15 HB1 ALA 15 6.371 0.654 1.246
111 HB2 ALA 15 HB2 ALA 15 4.738 1.282 1.027
112 HB3 ALA 15 HB3 ALA 15 5.952 1.525 -0.230
113 H ALA 16 HN ALA 16 5.495 0.076 -2.586
114 HA ALA 16 HA ALA 16 3.151 1.295 -3.311
115 HB1 ALA 16 HB1 ALA 16 5.222 1.073 -4.696
116 HB2 ALA 16 HB2 ALA 16 3.710 0.856 -5.580
117 HB3 ALA 16 HB3 ALA 16 4.681 -0.547 -5.135
118 HA PRO 17 HA PRO 17 1.076 -2.892 -4.517
119 HB2 PRO 17 HB2 PRO 17 2.210 -5.204 -3.662
120 HB3 PRO 17 HB1 PRO 17 2.655 -4.441 -5.201
121 HG2 PRO 17 HG2 PRO 17 4.068 -4.348 -2.579
122 HG3 PRO 17 HG1 PRO 17 4.730 -4.567 -4.212
123 HD2 PRO 17 HD2 PRO 17 4.792 -2.189 -2.931
124 HD3 PRO 17 HD1 PRO 17 4.654 -2.326 -4.692
125 H VAL 18 HN VAL 18 2.687 -2.601 -1.425
126 HA VAL 18 HA VAL 18 0.862 -4.171 0.089
127 HB VAL 18 HB VAL 18 2.824 -2.028 0.911
128 HG11 VAL 18 HG11 VAL 18 1.047 -2.104 2.561
129 HG12 VAL 18 HG12 VAL 18 2.516 -2.827 3.215
130 HG13 VAL 18 HG13 VAL 18 1.193 -3.858 2.670
131 HG21 VAL 18 HG21 VAL 18 4.246 -3.808 1.567
132 HG22 VAL 18 HG22 VAL 18 3.662 -4.206 -0.048
133 HG23 VAL 18 HG23 VAL 18 2.963 -5.001 1.362
134 H ILE 19 HN ILE 19 1.191 -0.679 -0.431
135 HA ILE 19 HA ILE 19 -1.039 0.045 1.169
136 HB ILE 19 HB ILE 19 0.228 1.632 -1.066
137 HG12 ILE 19 HG12 ILE 19 0.887 1.909 1.855
138 HG13 ILE 19 HG11 ILE 19 1.737 0.742 0.848
139 HG21 ILE 19 HG21 ILE 19 -1.397 2.491 1.325
140 HG22 ILE 19 HG22 ILE 19 -1.925 2.506 -0.358
141 HG23 ILE 19 HG23 ILE 19 -0.625 3.574 0.167
142 HD11 ILE 19 HD11 ILE 19 1.603 3.705 0.347
143 HD12 ILE 19 HD12 ILE 19 2.496 2.522 -0.609
144 HD13 ILE 19 HD13 ILE 19 2.963 2.839 1.061
145 H ALA 20 HN ALA 20 -0.577 -0.468 -2.302
146 HA ALA 20 HA ALA 20 -3.119 0.380 -3.145
147 HB1 ALA 20 HB1 ALA 20 -2.650 -0.771 -5.208
148 HB2 ALA 20 HB2 ALA 20 -1.387 -1.727 -4.432
149 HB3 ALA 20 HB3 ALA 20 -1.175 0.012 -4.638
150 H GLY 21 HN GLY 21 -1.951 -2.720 -1.946
151 HA2 GLY 21 HA2 GLY 21 -4.272 -4.221 -2.599
152 HA3 GLY 21 HA1 GLY 21 -3.049 -4.671 -1.419
153 H ILE 22 HN ILE 22 -3.238 -2.600 0.391
154 HA ILE 22 HA ILE 22 -5.513 -3.372 1.899
155 HB ILE 22 HB ILE 22 -3.678 -1.010 2.340
156 HG12 ILE 22 HG12 ILE 22 -3.582 -3.752 3.613
157 HG13 ILE 22 HG11 ILE 22 -2.570 -3.270 2.256
158 HG21 ILE 22 HG21 ILE 22 -4.451 -1.120 4.663
159 HG22 ILE 22 HG22 ILE 22 -5.569 -2.413 4.227
160 HG23 ILE 22 HG23 ILE 22 -5.781 -0.798 3.551
161 HD11 ILE 22 HD11 ILE 22 -1.589 -1.501 3.639
162 HD12 ILE 22 HD12 ILE 22 -1.349 -3.104 4.332
163 HD13 ILE 22 HD13 ILE 22 -2.580 -2.031 4.998
164 H LEU 23 HN LEU 23 -4.763 -0.599 -0.129
165 HA LEU 23 HA LEU 23 -6.927 1.037 0.598
166 HB2 LEU 23 HB2 LEU 23 -5.091 1.956 -0.643
167 HB3 LEU 23 HB1 LEU 23 -5.346 0.828 -1.960
168 HG LEU 23 HG LEU 23 -7.432 1.935 -2.551
169 HD11 LEU 23 HD11 LEU 23 -8.072 4.044 -1.448
170 HD12 LEU 23 HD12 LEU 23 -6.819 3.769 -0.238
171 HD13 LEU 23 HD13 LEU 23 -8.180 2.654 -0.369
172 HD21 LEU 23 HD21 LEU 23 -5.153 3.879 -2.209
173 HD22 LEU 23 HD22 LEU 23 -6.511 4.061 -3.320
174 HD23 LEU 23 HD23 LEU 23 -5.358 2.746 -3.545
175 H ALA 24 HN ALA 24 -6.599 -1.538 -1.779
176 HA ALA 24 HA ALA 24 -9.064 -1.214 -3.080
177 HB1 ALA 24 HB1 ALA 24 -7.330 -2.608 -4.013
178 HB2 ALA 24 HB2 ALA 24 -8.782 -3.577 -3.755
179 HB3 ALA 24 HB3 ALA 24 -7.424 -3.705 -2.636
180 H SER 25 HN SER 25 -8.179 -2.891 -0.117
181 HA SER 25 HA SER 25 -10.613 -4.264 0.276
182 HB2 SER 25 HB2 SER 25 -8.607 -4.878 1.520
183 HB3 SER 25 HB1 SER 25 -8.572 -3.294 2.294
184 HG SER 25 HG SER 25 -10.056 -3.930 3.647
185 H MET 26 HN MET 26 -9.502 -1.045 1.186
186 HA MET 26 HA MET 26 -11.771 -0.400 2.778
187 HB2 MET 26 HB2 MET 26 -9.774 1.406 1.398
188 HB3 MET 26 HB1 MET 26 -10.956 1.934 2.587
189 HG2 MET 26 HG2 MET 26 -9.892 0.304 4.187
190 HG3 MET 26 HG1 MET 26 -8.603 0.118 3.001
191 HE1 MET 26 HE1 MET 26 -8.368 3.060 1.806
192 HE2 MET 26 HE2 MET 26 -6.980 2.069 2.257
193 HE3 MET 26 HE3 MET 26 -7.107 3.729 2.841
194 H ILE 27 HN ILE 27 -10.961 0.066 -0.637
195 HA ILE 27 HA ILE 27 -13.131 1.729 -1.287
196 HB ILE 27 HB ILE 27 -11.739 -0.313 -3.031
197 HG12 ILE 27 HG12 ILE 27 -11.318 2.672 -2.752
198 HG13 ILE 27 HG11 ILE 27 -10.250 1.429 -2.111
199 HG21 ILE 27 HG21 ILE 27 -13.918 0.271 -3.939
200 HG22 ILE 27 HG22 ILE 27 -12.634 0.978 -4.920
201 HG23 ILE 27 HG23 ILE 27 -13.538 1.987 -3.792
202 HD11 ILE 27 HD11 ILE 27 -9.321 2.310 -4.133
203 HD12 ILE 27 HD12 ILE 27 -10.822 2.002 -5.006
204 HD13 ILE 27 HD13 ILE 27 -9.848 0.651 -4.423
205 H VAL 28 HN VAL 28 -12.782 -1.777 -1.166
206 HA VAL 28 HA VAL 28 -15.383 -2.383 -2.116
207 HB VAL 28 HB VAL 28 -13.511 -4.041 -0.421
208 HG11 VAL 28 HG11 VAL 28 -16.016 -4.822 -1.908
209 HG12 VAL 28 HG12 VAL 28 -15.755 -4.872 -0.165
210 HG13 VAL 28 HG13 VAL 28 -14.858 -5.962 -1.222
211 HG21 VAL 28 HG21 VAL 28 -12.601 -3.411 -2.613
212 HG22 VAL 28 HG22 VAL 28 -14.032 -4.086 -3.393
213 HG23 VAL 28 HG23 VAL 28 -12.927 -5.141 -2.512
214 H ASN 29 HN ASN 29 -14.026 -2.408 1.197
215 HA ASN 29 HA ASN 29 -16.441 -3.006 2.478
216 HB2 ASN 29 HB2 ASN 29 -15.360 -2.345 4.541
217 HB3 ASN 29 HB1 ASN 29 -14.222 -3.235 3.550
218 HD21 ASN 29 HD21 ASN 29 -12.452 -2.419 4.561
219 HD22 ASN 29 HD22 ASN 29 -11.946 -0.775 4.404
220 H TRP 30 HN TRP 30 -15.199 -0.019 1.236
221 HA TRP 30 HA TRP 30 -16.918 1.716 2.701
222 HB2 TRP 30 HB2 TRP 30 -15.056 2.800 1.799
223 HB3 TRP 30 HB1 TRP 30 -15.217 1.996 0.243
224 HD1 TRP 30 HD1 TRP 30 -17.456 4.470 2.260
225 HE1 TRP 30 HE1 TRP 30 -18.302 6.264 0.620
226 HE3 TRP 30 HE3 TRP 30 -15.235 2.770 -2.018
227 HZ2 TRP 30 HZ2 TRP 30 -18.062 6.876 -2.127
228 HZ3 TRP 30 HZ3 TRP 30 -15.593 4.013 -4.109
229 HH2 TRP 30 HH2 TRP 30 -16.978 6.026 -4.161
230 H LEU 31 HN LEU 31 -17.021 0.430 -0.615
231 HA LEU 31 HA LEU 31 -19.542 1.510 -1.261
232 HB2 LEU 31 HB2 LEU 31 -17.845 -0.672 -2.397
233 HB3 LEU 31 HB1 LEU 31 -19.489 -0.463 -2.974
234 HG LEU 31 HG LEU 31 -17.462 1.767 -2.986
235 HD11 LEU 31 HD11 LEU 31 -18.164 -0.145 -5.206
236 HD12 LEU 31 HD12 LEU 31 -16.625 -0.070 -4.348
237 HD13 LEU 31 HD13 LEU 31 -17.140 1.282 -5.356
238 HD21 LEU 31 HD21 LEU 31 -20.042 1.375 -4.499
239 HD22 LEU 31 HD22 LEU 31 -18.980 2.780 -4.583
240 HD23 LEU 31 HD23 LEU 31 -19.834 2.409 -3.086
241 H ASN 32 HN ASN 32 -18.565 -1.333 0.463
242 HA ASN 32 HA ASN 32 -20.960 -2.816 0.230
243 HB2 ASN 32 HB2 ASN 32 -18.722 -2.878 2.248
244 HB3 ASN 32 HB1 ASN 32 -20.093 -3.979 2.320
245 HD21 ASN 32 HD21 ASN 32 -20.335 -4.153 -0.576
246 HD22 ASN 32 HD22 ASN 32 -19.030 -5.153 -1.106
247 H LYS 33 HN LYS 33 -19.852 -0.427 2.601
248 HA LYS 33 HA LYS 33 -22.106 -0.796 4.322
249 HB2 LYS 33 HB2 LYS 33 -21.267 1.053 5.586
250 HB3 LYS 33 HB1 LYS 33 -19.896 0.071 5.091
251 HG2 LYS 33 HG2 LYS 33 -18.949 1.796 4.078
252 HG3 LYS 33 HG1 LYS 33 -20.410 2.120 3.143
253 HD2 LYS 33 HD2 LYS 33 -21.344 3.331 5.079
254 HD3 LYS 33 HD1 LYS 33 -19.834 3.059 5.950
255 HE2 LYS 33 HE2 LYS 33 -19.908 5.296 4.964
256 HE3 LYS 33 HE1 LYS 33 -18.614 4.324 4.266
257 HZ1 LYS 33 HZ1 LYS 33 -19.995 3.899 2.344
258 HZ2 LYS 33 HZ2 LYS 33 -19.840 5.567 2.581
259 HZ3 LYS 33 HZ3 LYS 33 -21.272 4.781 3.020
260 H ARG 34 HN ARG 34 -21.361 1.339 1.635
261 HA ARG 34 HA ARG 34 -23.805 2.864 2.075
262 HB2 ARG 34 HB2 ARG 34 -23.067 4.258 0.214
263 HB3 ARG 34 HB1 ARG 34 -21.784 4.080 1.402
264 HG2 ARG 34 HG2 ARG 34 -20.503 2.749 0.014
265 HG3 ARG 34 HG1 ARG 34 -21.885 2.271 -0.972
266 HD2 ARG 34 HD2 ARG 34 -20.360 3.849 -2.119
267 HD3 ARG 34 HD1 ARG 34 -22.006 4.459 -1.958
268 HE ARG 34 HE ARG 34 -20.203 5.287 0.138
269 HH11 ARG 34 HH11 ARG 34 -21.525 6.019 -3.003
270 HH12 ARG 34 HH12 ARG 34 -21.187 7.714 -2.893
271 HH21 ARG 34 HH21 ARG 34 -19.755 7.521 0.289
272 HH22 ARG 34 HH22 ARG 34 -20.182 8.566 -1.024
273 H LYS 35 HN LYS 35 -23.070 -0.020 0.730
274 HA LYS 35 HA LYS 35 -24.084 -1.427 -0.739
275 HB2 LYS 35 HB2 LYS 35 -26.418 0.476 -0.479
276 HB3 LYS 35 HB1 LYS 35 -26.489 -1.191 -1.031
277 HG2 LYS 35 HG2 LYS 35 -25.698 -0.290 1.733
278 HG3 LYS 35 HG1 LYS 35 -27.264 -0.959 1.271
279 HD2 LYS 35 HD2 LYS 35 -24.645 -2.421 0.955
280 HD3 LYS 35 HD1 LYS 35 -25.710 -2.595 2.351
281 HE2 LYS 35 HE2 LYS 35 -27.513 -3.346 0.857
282 HE3 LYS 35 HE1 LYS 35 -26.418 -3.206 -0.518
283 HZ1 LYS 35 HZ1 LYS 35 -26.552 -5.482 0.252
284 HZ2 LYS 35 HZ2 LYS 35 -26.065 -5.022 1.805
285 HZ3 LYS 35 HZ3 LYS 35 -24.993 -4.877 0.506
Start of MODEL 4
1 H1 MET 1 HT1 MET 1 26.400 -1.159 -4.550
2 H2 MET 1 HT2 MET 1 25.908 -1.994 -3.163
3 H3 MET 1 HT3 MET 1 27.349 -1.109 -3.150
4 HA MET 1 HA MET 1 26.191 0.945 -3.351
5 HB2 MET 1 HB2 MET 1 23.769 1.054 -3.426
6 HB3 MET 1 HB1 MET 1 24.358 0.085 -4.768
7 HG2 MET 1 HG2 MET 1 23.337 -1.093 -2.198
8 HG3 MET 1 HG1 MET 1 22.320 -0.789 -3.605
9 HE1 MET 1 HE1 MET 1 22.619 -2.012 -5.940
10 HE2 MET 1 HE2 MET 1 23.906 -3.168 -6.281
11 HE3 MET 1 HE3 MET 1 24.297 -1.471 -6.004
12 H THR 2 HN THR 2 24.362 1.726 -1.619
13 HA THR 2 HA THR 2 25.355 0.669 0.926
14 HB THR 2 HB THR 2 23.650 2.962 1.242
15 HG1 THR 2 HG1 THR 2 24.201 3.517 -0.879
16 HG21 THR 2 HG21 THR 2 25.646 3.916 2.265
17 HG22 THR 2 HG22 THR 2 26.632 2.626 1.575
18 HG23 THR 2 HG23 THR 2 25.414 2.249 2.794
19 H PHE 3 HN PHE 3 24.071 -0.223 2.449
20 HA PHE 3 HA PHE 3 21.597 -1.324 1.700
21 HB2 PHE 3 HB2 PHE 3 23.282 -2.078 3.530
22 HB3 PHE 3 HB1 PHE 3 22.402 -0.961 4.570
23 HD1 PHE 3 HD1 PHE 3 20.836 -1.955 5.910
24 HD2 PHE 3 HD2 PHE 3 21.540 -3.540 2.028
25 HE1 PHE 3 HE1 PHE 3 19.129 -3.682 6.315
26 HE2 PHE 3 HE2 PHE 3 19.833 -5.276 2.422
27 HZ PHE 3 HZ PHE 3 18.626 -5.346 4.568
28 H ALA 4 HN ALA 4 22.462 1.589 3.454
29 HA ALA 4 HA ALA 4 19.846 2.198 4.384
30 HB1 ALA 4 HB1 ALA 4 22.194 4.038 3.928
31 HB2 ALA 4 HB2 ALA 4 21.841 3.159 5.415
32 HB3 ALA 4 HB3 ALA 4 20.745 4.422 4.856
33 H GLU 5 HN GLU 5 21.708 3.097 1.522
34 HA GLU 5 HA GLU 5 19.778 4.904 0.480
35 HB2 GLU 5 HB2 GLU 5 22.071 3.435 -0.824
36 HB3 GLU 5 HB1 GLU 5 21.079 4.625 -1.658
37 HG2 GLU 5 HG2 GLU 5 22.723 5.152 0.807
38 HG3 GLU 5 HG1 GLU 5 23.193 5.559 -0.843
39 H LEU 6 HN LEU 6 20.305 1.452 0.187
40 HA LEU 6 HA LEU 6 18.276 1.195 -1.883
41 HB2 LEU 6 HB2 LEU 6 20.423 -0.176 -1.781
42 HB3 LEU 6 HB1 LEU 6 19.697 -1.030 -0.431
43 HG LEU 6 HG LEU 6 18.060 -0.916 -2.888
44 HD11 LEU 6 HD11 LEU 6 19.315 -2.719 -3.962
45 HD12 LEU 6 HD12 LEU 6 20.574 -2.574 -2.735
46 HD13 LEU 6 HD13 LEU 6 20.274 -1.243 -3.851
47 HD21 LEU 6 HD21 LEU 6 17.676 -3.275 -2.260
48 HD22 LEU 6 HD22 LEU 6 17.305 -2.153 -0.953
49 HD23 LEU 6 HD23 LEU 6 18.805 -3.077 -0.920
50 H GLY 7 HN GLY 7 18.445 1.269 1.491
51 HA2 GLY 7 HA2 GLY 7 16.405 -0.599 2.138
52 HA3 GLY 7 HA1 GLY 7 16.972 0.707 3.166
53 H MET 8 HN MET 8 16.355 2.921 1.664
54 HA MET 8 HA MET 8 13.558 3.152 2.159
55 HB2 MET 8 HB2 MET 8 15.451 5.044 0.747
56 HB3 MET 8 HB1 MET 8 13.821 5.444 1.270
57 HG2 MET 8 HG2 MET 8 16.102 4.658 3.068
58 HG3 MET 8 HG1 MET 8 15.504 6.296 2.810
59 HE1 MET 8 HE1 MET 8 15.287 6.579 5.453
60 HE2 MET 8 HE2 MET 8 15.847 4.925 5.700
61 HE3 MET 8 HE3 MET 8 14.367 5.481 6.482
62 H ALA 9 HN ALA 9 15.531 2.980 -0.781
63 HA ALA 9 HA ALA 9 13.450 3.379 -2.628
64 HB1 ALA 9 HB1 ALA 9 14.960 2.463 -4.285
65 HB2 ALA 9 HB2 ALA 9 15.976 1.777 -3.017
66 HB3 ALA 9 HB3 ALA 9 15.844 3.528 -3.191
67 H PHE 10 HN PHE 10 14.811 0.412 -1.250
68 HA PHE 10 HA PHE 10 13.142 -1.357 -2.710
69 HB2 PHE 10 HB2 PHE 10 15.154 -2.270 -1.886
70 HB3 PHE 10 HB1 PHE 10 14.868 -1.658 -0.263
71 HD1 PHE 10 HD1 PHE 10 14.804 -3.447 1.151
72 HD2 PHE 10 HD2 PHE 10 12.704 -3.677 -2.545
73 HE1 PHE 10 HE1 PHE 10 13.866 -5.620 1.823
74 HE2 PHE 10 HE2 PHE 10 11.764 -5.851 -1.879
75 HZ PHE 10 HZ PHE 10 12.344 -6.826 0.306
76 H TRP 11 HN TRP 11 12.967 -0.088 0.622
77 HA TRP 11 HA TRP 11 10.649 -1.492 1.350
78 HB2 TRP 11 HB2 TRP 11 12.121 0.847 2.407
79 HB3 TRP 11 HB1 TRP 11 10.434 0.708 2.891
80 HD1 TRP 11 HD1 TRP 11 13.776 -0.409 3.908
81 HE1 TRP 11 HE1 TRP 11 13.626 -2.333 5.611
82 HE3 TRP 11 HE3 TRP 11 8.848 -1.633 3.319
83 HZ2 TRP 11 HZ2 TRP 11 11.679 -4.134 6.574
84 HZ3 TRP 11 HZ3 TRP 11 7.920 -3.470 4.667
85 HH2 TRP 11 HH2 TRP 11 9.308 -4.694 6.260
86 H HIS 12 HN HIS 12 11.061 1.689 -0.139
87 HA HIS 12 HA HIS 12 8.317 2.390 -0.088
88 HB2 HIS 12 HB2 HIS 12 10.649 3.369 -1.729
89 HB3 HIS 12 HB1 HIS 12 9.025 4.019 -1.929
90 HD1 HIS 12 HD1 HIS 12 10.368 3.174 1.483
91 HD2 HIS 12 HD2 HIS 12 9.697 6.497 -0.917
92 HE1 HIS 12 HE1 HIS 12 10.662 5.196 2.973
93 H ASP 13 HN ASP 13 10.359 0.780 -2.478
94 HA ASP 13 HA ASP 13 8.457 0.719 -4.558
95 HB2 ASP 13 HB2 ASP 13 10.825 0.339 -4.987
96 HB3 ASP 13 HB1 ASP 13 10.790 -1.124 -4.007
97 H LEU 14 HN LEU 14 9.241 -1.609 -1.992
98 HA LEU 14 HA LEU 14 7.324 -3.529 -2.888
99 HB2 LEU 14 HB2 LEU 14 7.934 -4.840 -1.067
100 HB3 LEU 14 HB1 LEU 14 9.400 -3.995 -1.507
101 HG LEU 14 HG LEU 14 8.572 -2.313 0.372
102 HD11 LEU 14 HD11 LEU 14 7.455 -3.411 2.178
103 HD12 LEU 14 HD12 LEU 14 7.475 -4.952 1.318
104 HD13 LEU 14 HD13 LEU 14 6.481 -3.623 0.721
105 HD21 LEU 14 HD21 LEU 14 10.711 -3.413 0.394
106 HD22 LEU 14 HD22 LEU 14 9.962 -4.949 0.826
107 HD23 LEU 14 HD23 LEU 14 9.954 -3.611 1.973
108 H ALA 15 HN ALA 15 7.276 -0.824 -0.706
109 HA ALA 15 HA ALA 15 4.867 -1.509 0.639
110 HB1 ALA 15 HB1 ALA 15 6.133 1.205 0.310
111 HB2 ALA 15 HB2 ALA 15 6.519 0.041 1.578
112 HB3 ALA 15 HB3 ALA 15 4.908 0.754 1.497
113 H ALA 16 HN ALA 16 5.590 0.303 -2.289
114 HA ALA 16 HA ALA 16 3.266 1.693 -2.704
115 HB1 ALA 16 HB1 ALA 16 4.781 0.237 -4.865
116 HB2 ALA 16 HB2 ALA 16 5.269 1.776 -4.157
117 HB3 ALA 16 HB3 ALA 16 3.755 1.659 -5.055
118 HA PRO 17 HA PRO 17 1.078 -2.117 -4.689
119 HB2 PRO 17 HB2 PRO 17 2.172 -4.577 -4.353
120 HB3 PRO 17 HB1 PRO 17 2.608 -3.521 -5.711
121 HG2 PRO 17 HG2 PRO 17 4.073 -4.006 -3.162
122 HG3 PRO 17 HG1 PRO 17 4.697 -3.882 -4.819
123 HD2 PRO 17 HD2 PRO 17 4.827 -1.834 -3.054
124 HD3 PRO 17 HD1 PRO 17 4.675 -1.593 -4.804
125 H VAL 18 HN VAL 18 2.739 -2.480 -1.633
126 HA VAL 18 HA VAL 18 0.909 -4.298 -0.434
127 HB VAL 18 HB VAL 18 2.922 -2.393 0.763
128 HG11 VAL 18 HG11 VAL 18 1.213 -4.453 2.152
129 HG12 VAL 18 HG12 VAL 18 1.194 -2.709 2.412
130 HG13 VAL 18 HG13 VAL 18 2.609 -3.654 2.874
131 HG21 VAL 18 HG21 VAL 18 3.709 -4.364 -0.594
132 HG22 VAL 18 HG22 VAL 18 2.984 -5.401 0.636
133 HG23 VAL 18 HG23 VAL 18 4.298 -4.305 1.067
134 H ILE 19 HN ILE 19 1.294 -0.778 -0.233
135 HA ILE 19 HA ILE 19 -0.913 -0.365 1.502
136 HB ILE 19 HB ILE 19 0.375 1.629 -0.365
137 HG12 ILE 19 HG12 ILE 19 1.053 1.267 2.543
138 HG13 ILE 19 HG11 ILE 19 1.873 0.324 1.303
139 HG21 ILE 19 HG21 ILE 19 -0.431 3.288 1.253
140 HG22 ILE 19 HG22 ILE 19 -1.213 2.002 2.172
141 HG23 ILE 19 HG23 ILE 19 -1.759 2.375 0.538
142 HD11 ILE 19 HD11 ILE 19 2.688 2.342 0.263
143 HD12 ILE 19 HD12 ILE 19 3.130 2.316 1.970
144 HD13 ILE 19 HD13 ILE 19 1.794 3.329 1.420
145 H ALA 20 HN ALA 20 -0.495 -0.166 -2.008
146 HA ALA 20 HA ALA 20 -3.045 0.867 -2.612
147 HB1 ALA 20 HB1 ALA 20 -1.152 0.877 -4.186
148 HB2 ALA 20 HB2 ALA 20 -2.604 0.166 -4.890
149 HB3 ALA 20 HB3 ALA 20 -1.290 -0.874 -4.342
150 H GLY 21 HN GLY 21 -1.854 -2.447 -2.273
151 HA2 GLY 21 HA2 GLY 21 -4.153 -3.771 -3.211
152 HA3 GLY 21 HA1 GLY 21 -2.959 -4.453 -2.117
153 H ILE 22 HN ILE 22 -3.223 -2.814 0.080
154 HA ILE 22 HA ILE 22 -5.527 -3.896 1.332
155 HB ILE 22 HB ILE 22 -3.743 -1.662 2.312
156 HG12 ILE 22 HG12 ILE 22 -3.575 -4.620 2.922
157 HG13 ILE 22 HG11 ILE 22 -2.563 -3.806 1.735
158 HG21 ILE 22 HG21 ILE 22 -4.524 -2.344 4.543
159 HG22 ILE 22 HG22 ILE 22 -5.626 -3.496 3.790
160 HG23 ILE 22 HG23 ILE 22 -5.842 -1.766 3.523
161 HD11 ILE 22 HD11 ILE 22 -1.398 -4.116 3.845
162 HD12 ILE 22 HD12 ILE 22 -2.650 -3.198 4.681
163 HD13 ILE 22 HD13 ILE 22 -1.622 -2.404 3.488
164 H LEU 23 HN LEU 23 -4.745 -0.765 -0.049
165 HA LEU 23 HA LEU 23 -6.934 0.690 0.942
166 HB2 LEU 23 HB2 LEU 23 -5.040 1.817 -0.029
167 HB3 LEU 23 HB1 LEU 23 -5.294 1.017 -1.568
168 HG LEU 23 HG LEU 23 -7.399 2.253 -1.863
169 HD11 LEU 23 HD11 LEU 23 -8.005 2.562 0.470
170 HD12 LEU 23 HD12 LEU 23 -7.935 4.116 -0.361
171 HD13 LEU 23 HD13 LEU 23 -6.619 3.626 0.706
172 HD21 LEU 23 HD21 LEU 23 -6.406 4.442 -2.272
173 HD22 LEU 23 HD22 LEU 23 -5.318 3.148 -2.772
174 HD23 LEU 23 HD23 LEU 23 -5.025 4.012 -1.263
175 H ALA 24 HN ALA 24 -6.558 -1.419 -1.835
176 HA ALA 24 HA ALA 24 -8.914 -0.762 -3.209
177 HB1 ALA 24 HB1 ALA 24 -7.107 -2.082 -4.194
178 HB2 ALA 24 HB2 ALA 24 -8.654 -2.919 -4.319
179 HB3 ALA 24 HB3 ALA 24 -7.480 -3.413 -3.099
180 H SER 25 HN SER 25 -8.288 -3.249 -0.753
181 HA SER 25 HA SER 25 -10.844 -4.387 -0.719
182 HB2 SER 25 HB2 SER 25 -8.872 -5.414 0.361
183 HB3 SER 25 HB1 SER 25 -8.884 -4.137 1.577
184 HG SER 25 HG SER 25 -11.026 -4.868 2.126
185 H MET 26 HN MET 26 -9.536 -1.545 0.858
186 HA MET 26 HA MET 26 -11.726 -1.112 2.621
187 HB2 MET 26 HB2 MET 26 -9.678 0.840 1.548
188 HB3 MET 26 HB1 MET 26 -10.774 1.153 2.886
189 HG2 MET 26 HG2 MET 26 -9.725 -0.530 4.218
190 HG3 MET 26 HG1 MET 26 -8.730 -1.050 2.861
191 HE1 MET 26 HE1 MET 26 -8.282 3.094 4.853
192 HE2 MET 26 HE2 MET 26 -9.538 1.934 5.289
193 HE3 MET 26 HE3 MET 26 -9.564 2.707 3.705
194 H ILE 27 HN ILE 27 -10.879 0.158 -0.579
195 HA ILE 27 HA ILE 27 -13.011 1.959 -0.822
196 HB ILE 27 HB ILE 27 -11.579 0.410 -2.988
197 HG12 ILE 27 HG12 ILE 27 -11.219 3.243 -1.980
198 HG13 ILE 27 HG11 ILE 27 -10.139 1.896 -1.642
199 HG21 ILE 27 HG21 ILE 27 -12.450 2.132 -4.525
200 HG22 ILE 27 HG22 ILE 27 -13.423 2.788 -3.208
201 HG23 ILE 27 HG23 ILE 27 -13.732 1.158 -3.806
202 HD11 ILE 27 HD11 ILE 27 -9.615 1.726 -4.021
203 HD12 ILE 27 HD12 ILE 27 -9.238 3.324 -3.376
204 HD13 ILE 27 HD13 ILE 27 -10.690 3.085 -4.348
205 H VAL 28 HN VAL 28 -12.746 -1.481 -1.595
206 HA VAL 28 HA VAL 28 -15.335 -1.726 -2.729
207 HB VAL 28 HB VAL 28 -13.648 -3.871 -1.427
208 HG11 VAL 28 HG11 VAL 28 -14.984 -5.449 -2.677
209 HG12 VAL 28 HG12 VAL 28 -15.906 -4.138 -3.411
210 HG13 VAL 28 HG13 VAL 28 -16.043 -4.451 -1.681
211 HG21 VAL 28 HG21 VAL 28 -12.526 -2.682 -3.291
212 HG22 VAL 28 HG22 VAL 28 -13.870 -3.128 -4.343
213 HG23 VAL 28 HG23 VAL 28 -12.844 -4.380 -3.643
214 H ASN 29 HN ASN 29 -14.070 -2.351 0.543
215 HA ASN 29 HA ASN 29 -16.493 -3.303 1.609
216 HB2 ASN 29 HB2 ASN 29 -15.477 -3.173 3.739
217 HB3 ASN 29 HB1 ASN 29 -14.172 -3.530 2.629
218 HD21 ASN 29 HD21 ASN 29 -12.684 -2.792 4.125
219 HD22 ASN 29 HD22 ASN 29 -12.441 -1.107 4.423
220 H TRP 30 HN TRP 30 -15.329 -0.114 0.971
221 HA TRP 30 HA TRP 30 -17.131 1.293 2.665
222 HB2 TRP 30 HB2 TRP 30 -15.268 2.544 2.031
223 HB3 TRP 30 HB1 TRP 30 -15.363 2.023 0.354
224 HD1 TRP 30 HD1 TRP 30 -17.713 4.086 2.686
225 HE1 TRP 30 HE1 TRP 30 -18.529 6.130 1.348
226 HE3 TRP 30 HE3 TRP 30 -15.309 3.171 -1.725
227 HZ2 TRP 30 HZ2 TRP 30 -18.191 7.210 -1.242
228 HZ3 TRP 30 HZ3 TRP 30 -15.602 4.754 -3.585
229 HH2 TRP 30 HH2 TRP 30 -17.016 6.732 -3.347
230 H LEU 31 HN LEU 31 -17.123 0.613 -0.826
231 HA LEU 31 HA LEU 31 -19.642 1.761 -1.351
232 HB2 LEU 31 HB2 LEU 31 -17.872 -0.154 -2.805
233 HB3 LEU 31 HB1 LEU 31 -19.496 0.150 -3.396
234 HG LEU 31 HG LEU 31 -17.526 2.368 -2.891
235 HD11 LEU 31 HD11 LEU 31 -16.569 0.808 -4.516
236 HD12 LEU 31 HD12 LEU 31 -17.025 2.336 -5.268
237 HD13 LEU 31 HD13 LEU 31 -18.044 0.911 -5.477
238 HD21 LEU 31 HD21 LEU 31 -18.980 3.621 -4.380
239 HD22 LEU 31 HD22 LEU 31 -19.896 2.981 -3.016
240 HD23 LEU 31 HD23 LEU 31 -20.008 2.205 -4.595
241 H ASN 32 HN ASN 32 -18.687 -1.363 -0.165
242 HA ASN 32 HA ASN 32 -21.110 -2.728 -0.763
243 HB2 ASN 32 HB2 ASN 32 -18.789 -3.307 1.056
244 HB3 ASN 32 HB1 ASN 32 -20.215 -4.340 1.042
245 HD21 ASN 32 HD21 ASN 32 -19.081 -2.717 -1.823
246 HD22 ASN 32 HD22 ASN 32 -18.514 -4.131 -2.637
247 H LYS 33 HN LYS 33 -19.929 -0.988 2.084
248 HA LYS 33 HA LYS 33 -22.223 -1.723 3.661
249 HB2 LYS 33 HB2 LYS 33 -21.264 -0.311 5.393
250 HB3 LYS 33 HB1 LYS 33 -20.036 -1.368 4.715
251 HG2 LYS 33 HG2 LYS 33 -18.833 0.537 4.716
252 HG3 LYS 33 HG1 LYS 33 -19.650 0.778 3.172
253 HD2 LYS 33 HD2 LYS 33 -21.423 2.047 4.397
254 HD3 LYS 33 HD1 LYS 33 -20.425 1.928 5.848
255 HE2 LYS 33 HE2 LYS 33 -19.630 3.237 3.249
256 HE3 LYS 33 HE1 LYS 33 -20.114 4.075 4.723
257 HZ1 LYS 33 HZ1 LYS 33 -18.200 3.145 5.850
258 HZ2 LYS 33 HZ2 LYS 33 -17.707 3.995 4.474
259 HZ3 LYS 33 HZ3 LYS 33 -17.745 2.304 4.454
260 H ARG 34 HN ARG 34 -21.169 1.155 1.884
261 HA ARG 34 HA ARG 34 -23.316 2.788 2.800
262 HB2 ARG 34 HB2 ARG 34 -22.604 4.399 1.173
263 HB3 ARG 34 HB1 ARG 34 -21.172 3.687 1.901
264 HG2 ARG 34 HG2 ARG 34 -20.742 2.374 -0.038
265 HG3 ARG 34 HG1 ARG 34 -22.305 2.799 -0.740
266 HD2 ARG 34 HD2 ARG 34 -20.005 4.675 -0.212
267 HD3 ARG 34 HD1 ARG 34 -20.528 4.079 -1.786
268 HE ARG 34 HE ARG 34 -22.607 5.437 -0.360
269 HH11 ARG 34 HH11 ARG 34 -19.834 5.863 -2.422
270 HH12 ARG 34 HH12 ARG 34 -20.368 7.388 -3.044
271 HH21 ARG 34 HH21 ARG 34 -23.321 7.444 -1.171
272 HH22 ARG 34 HH22 ARG 34 -22.353 8.288 -2.333
273 H LYS 35 HN LYS 35 -22.780 0.796 -0.056
274 HA LYS 35 HA LYS 35 -24.122 0.402 -1.893
275 HB2 LYS 35 HB2 LYS 35 -26.198 -0.845 -1.133
276 HB3 LYS 35 HB1 LYS 35 -24.657 -1.441 -0.533
277 HG2 LYS 35 HG2 LYS 35 -25.147 -0.004 1.542
278 HG3 LYS 35 HG1 LYS 35 -26.804 0.038 0.937
279 HD2 LYS 35 HD2 LYS 35 -26.857 -2.411 0.934
280 HD3 LYS 35 HD1 LYS 35 -25.202 -2.445 1.546
281 HE2 LYS 35 HE2 LYS 35 -25.963 -1.198 3.544
282 HE3 LYS 35 HE1 LYS 35 -27.617 -1.300 2.942
283 HZ1 LYS 35 HZ1 LYS 35 -27.168 -3.024 4.564
284 HZ2 LYS 35 HZ2 LYS 35 -25.881 -3.606 3.635
285 HZ3 LYS 35 HZ3 LYS 35 -27.462 -3.711 3.046
Start of MODEL 5
1 H1 MET 1 HT1 MET 1 -26.262 -2.493 3.168
2 H2 MET 1 HT2 MET 1 -27.473 -1.351 2.866
3 H3 MET 1 HT3 MET 1 -26.810 -1.489 4.416
4 HA MET 1 HA MET 1 -25.957 0.452 3.259
5 HB2 MET 1 HB2 MET 1 -24.579 -1.224 4.815
6 HB3 MET 1 HB1 MET 1 -23.639 -1.415 3.342
7 HG2 MET 1 HG2 MET 1 -24.235 1.243 4.598
8 HG3 MET 1 HG1 MET 1 -22.787 0.296 4.937
9 HE1 MET 1 HE1 MET 1 -20.907 1.657 4.182
10 HE2 MET 1 HE2 MET 1 -22.021 3.023 4.114
11 HE3 MET 1 HE3 MET 1 -20.905 2.726 2.779
12 H THR 2 HN THR 2 -25.127 1.380 1.450
13 HA THR 2 HA THR 2 -25.466 0.064 -1.022
14 HB THR 2 HB THR 2 -23.881 2.205 -1.653
15 HG1 THR 2 HG1 THR 2 -25.149 3.735 -0.019
16 HG21 THR 2 HG21 THR 2 -26.850 2.229 -1.091
17 HG22 THR 2 HG22 THR 2 -26.083 1.718 -2.594
18 HG23 THR 2 HG23 THR 2 -25.982 3.402 -2.081
19 H PHE 3 HN PHE 3 -24.144 -1.151 -2.187
20 HA PHE 3 HA PHE 3 -21.654 -2.029 -1.203
21 HB2 PHE 3 HB2 PHE 3 -23.331 -3.115 -2.911
22 HB3 PHE 3 HB1 PHE 3 -22.358 -2.260 -4.105
23 HD1 PHE 3 HD1 PHE 3 -21.883 -4.432 -1.120
24 HD2 PHE 3 HD2 PHE 3 -20.602 -3.401 -5.042
25 HE1 PHE 3 HE1 PHE 3 -20.233 -6.254 -1.053
26 HE2 PHE 3 HE2 PHE 3 -18.948 -5.224 -4.986
27 HZ PHE 3 HZ PHE 3 -18.762 -6.654 -2.988
28 H ALA 4 HN ALA 4 -22.565 0.486 -3.465
29 HA ALA 4 HA ALA 4 -19.957 0.963 -4.497
30 HB1 ALA 4 HB1 ALA 4 -21.953 1.665 -5.702
31 HB2 ALA 4 HB2 ALA 4 -20.904 3.045 -5.371
32 HB3 ALA 4 HB3 ALA 4 -22.357 2.788 -4.404
33 H GLU 5 HN GLU 5 -21.850 2.358 -1.854
34 HA GLU 5 HA GLU 5 -19.961 4.375 -1.198
35 HB2 GLU 5 HB2 GLU 5 -22.218 3.136 0.376
36 HB3 GLU 5 HB1 GLU 5 -21.238 4.466 0.979
37 HG2 GLU 5 HG2 GLU 5 -22.921 4.517 -1.516
38 HG3 GLU 5 HG1 GLU 5 -23.350 5.239 0.034
39 H LEU 6 HN LEU 6 -20.495 1.069 -0.111
40 HA LEU 6 HA LEU 6 -18.448 1.223 1.916
41 HB2 LEU 6 HB2 LEU 6 -20.526 -0.261 1.983
42 HB3 LEU 6 HB1 LEU 6 -19.708 -1.278 0.811
43 HG LEU 6 HG LEU 6 -18.136 -0.680 3.228
44 HD11 LEU 6 HD11 LEU 6 -20.607 -2.400 3.374
45 HD12 LEU 6 HD12 LEU 6 -20.336 -0.888 4.239
46 HD13 LEU 6 HD13 LEU 6 -19.349 -2.303 4.605
47 HD21 LEU 6 HD21 LEU 6 -17.593 -3.042 3.029
48 HD22 LEU 6 HD22 LEU 6 -17.397 -2.231 1.476
49 HD23 LEU 6 HD23 LEU 6 -18.816 -3.234 1.774
50 H GLY 7 HN GLY 7 -18.543 0.788 -1.420
51 HA2 GLY 7 HA2 GLY 7 -16.395 -1.048 -1.751
52 HA3 GLY 7 HA1 GLY 7 -17.023 0.043 -2.975
53 H MET 8 HN MET 8 -16.540 2.505 -1.865
54 HA MET 8 HA MET 8 -13.772 2.815 -2.415
55 HB2 MET 8 HB2 MET 8 -15.783 4.776 -1.300
56 HB3 MET 8 HB1 MET 8 -14.166 5.200 -1.848
57 HG2 MET 8 HG2 MET 8 -16.305 3.970 -3.570
58 HG3 MET 8 HG1 MET 8 -15.910 5.687 -3.513
59 HE1 MET 8 HE1 MET 8 -15.682 5.554 -6.171
60 HE2 MET 8 HE2 MET 8 -15.938 3.809 -6.193
61 HE3 MET 8 HE3 MET 8 -14.538 4.506 -7.009
62 H ALA 9 HN ALA 9 -15.675 3.048 0.578
63 HA ALA 9 HA ALA 9 -13.565 3.815 2.266
64 HB1 ALA 9 HB1 ALA 9 -16.037 2.229 2.955
65 HB2 ALA 9 HB2 ALA 9 -15.912 3.988 2.918
66 HB3 ALA 9 HB3 ALA 9 -14.990 3.063 4.103
67 H PHE 10 HN PHE 10 -14.827 0.613 1.427
68 HA PHE 10 HA PHE 10 -13.049 -0.831 3.102
69 HB2 PHE 10 HB2 PHE 10 -15.036 -1.942 2.491
70 HB3 PHE 10 HB1 PHE 10 -14.811 -1.588 0.783
71 HD1 PHE 10 HD1 PHE 10 -14.638 -3.546 -0.363
72 HD2 PHE 10 HD2 PHE 10 -12.570 -3.152 3.336
73 HE1 PHE 10 HE1 PHE 10 -13.616 -5.757 -0.704
74 HE2 PHE 10 HE2 PHE 10 -11.546 -5.364 3.003
75 HZ PHE 10 HZ PHE 10 -12.068 -6.670 0.981
76 H TRP 11 HN TRP 11 -12.997 -0.085 -0.382
77 HA TRP 11 HA TRP 11 -10.654 -1.507 -0.974
78 HB2 TRP 11 HB2 TRP 11 -12.239 0.606 -2.303
79 HB3 TRP 11 HB1 TRP 11 -10.560 0.469 -2.811
80 HD1 TRP 11 HD1 TRP 11 -13.879 -0.933 -3.543
81 HE1 TRP 11 HE1 TRP 11 -13.678 -3.055 -4.985
82 HE3 TRP 11 HE3 TRP 11 -8.874 -1.815 -2.992
83 HZ2 TRP 11 HZ2 TRP 11 -11.662 -4.864 -5.783
84 HZ3 TRP 11 HZ3 TRP 11 -7.887 -3.763 -4.128
85 HH2 TRP 11 HH2 TRP 11 -9.255 -5.256 -5.492
86 H HIS 12 HN HIS 12 -11.146 1.814 0.109
87 HA HIS 12 HA HIS 12 -8.439 2.612 -0.141
88 HB2 HIS 12 HB2 HIS 12 -10.768 3.698 1.433
89 HB3 HIS 12 HB1 HIS 12 -9.165 4.420 1.533
90 HD1 HIS 12 HD1 HIS 12 -10.554 3.154 -1.736
91 HD2 HIS 12 HD2 HIS 12 -9.896 6.744 0.250
92 HE1 HIS 12 HE1 HIS 12 -10.930 4.988 -3.438
93 H ASP 13 HN ASP 13 -10.325 1.227 2.505
94 HA ASP 13 HA ASP 13 -8.330 1.492 4.491
95 HB2 ASP 13 HB2 ASP 13 -10.704 1.114 5.023
96 HB3 ASP 13 HB1 ASP 13 -10.598 -0.502 4.330
97 H LEU 14 HN LEU 14 -9.166 -1.172 2.293
98 HA LEU 14 HA LEU 14 -7.182 -2.928 3.361
99 HB2 LEU 14 HB2 LEU 14 -7.822 -4.469 1.734
100 HB3 LEU 14 HB1 LEU 14 -9.292 -3.604 2.126
101 HG LEU 14 HG LEU 14 -8.569 -2.150 0.025
102 HD11 LEU 14 HD11 LEU 14 -7.400 -3.321 -1.632
103 HD12 LEU 14 HD12 LEU 14 -7.534 -4.852 -0.767
104 HD13 LEU 14 HD13 LEU 14 -6.465 -3.588 -0.159
105 HD21 LEU 14 HD21 LEU 14 -9.858 -4.869 -0.180
106 HD22 LEU 14 HD22 LEU 14 -10.039 -3.539 -1.322
107 HD23 LEU 14 HD23 LEU 14 -10.672 -3.386 0.316
108 H ALA 15 HN ALA 15 -7.263 -0.529 0.843
109 HA ALA 15 HA ALA 15 -4.887 -1.348 -0.486
110 HB1 ALA 15 HB1 ALA 15 -4.986 0.805 -1.611
111 HB2 ALA 15 HB2 ALA 15 -6.216 1.357 -0.474
112 HB3 ALA 15 HB3 ALA 15 -6.573 0.035 -1.585
113 H ALA 16 HN ALA 16 -5.548 0.821 2.204
114 HA ALA 16 HA ALA 16 -3.236 2.285 2.349
115 HB1 ALA 16 HB1 ALA 16 -4.557 1.109 4.783
116 HB2 ALA 16 HB2 ALA 16 -5.243 2.443 3.858
117 HB3 ALA 16 HB3 ALA 16 -3.678 2.631 4.649
118 HA PRO 17 HA PRO 17 -0.908 -1.201 4.723
119 HB2 PRO 17 HB2 PRO 17 -1.971 -3.700 4.754
120 HB3 PRO 17 HB1 PRO 17 -2.360 -2.482 5.985
121 HG2 PRO 17 HG2 PRO 17 -3.936 -3.316 3.601
122 HG3 PRO 17 HG1 PRO 17 -4.482 -2.968 5.254
123 HD2 PRO 17 HD2 PRO 17 -4.721 -1.188 3.225
124 HD3 PRO 17 HD1 PRO 17 -4.505 -0.705 4.917
125 H VAL 18 HN VAL 18 -2.712 -2.090 1.840
126 HA VAL 18 HA VAL 18 -0.870 -3.983 0.814
127 HB VAL 18 HB VAL 18 -2.963 -2.291 -0.555
128 HG11 VAL 18 HG11 VAL 18 -1.303 -4.527 -1.714
129 HG12 VAL 18 HG12 VAL 18 -1.252 -2.829 -2.187
130 HG13 VAL 18 HG13 VAL 18 -2.701 -3.786 -2.493
131 HG21 VAL 18 HG21 VAL 18 -4.327 -4.218 -0.514
132 HG22 VAL 18 HG22 VAL 18 -3.631 -4.090 1.102
133 HG23 VAL 18 HG23 VAL 18 -2.978 -5.255 -0.050
134 H ILE 19 HN ILE 19 -1.332 -0.527 0.208
135 HA ILE 19 HA ILE 19 0.785 -0.281 -1.665
136 HB ILE 19 HB ILE 19 -0.524 1.858 0.020
137 HG12 ILE 19 HG12 ILE 19 -1.157 1.241 -2.853
138 HG13 ILE 19 HG11 ILE 19 -1.958 0.368 -1.551
139 HG21 ILE 19 HG21 ILE 19 0.250 3.393 -1.736
140 HG22 ILE 19 HG22 ILE 19 1.100 2.057 -2.513
141 HG23 ILE 19 HG23 ILE 19 1.591 2.599 -0.909
142 HD11 ILE 19 HD11 ILE 19 -1.966 3.360 -1.839
143 HD12 ILE 19 HD12 ILE 19 -2.894 2.393 -0.692
144 HD13 ILE 19 HD13 ILE 19 -3.244 2.292 -2.418
145 H ALA 20 HN ALA 20 0.491 0.420 1.799
146 HA ALA 20 HA ALA 20 3.029 1.526 2.196
147 HB1 ALA 20 HB1 ALA 20 2.700 1.055 4.548
148 HB2 ALA 20 HB2 ALA 20 1.413 -0.090 4.166
149 HB3 ALA 20 HB3 ALA 20 1.191 1.629 3.836
150 H GLY 21 HN GLY 21 1.960 -1.820 2.066
151 HA2 GLY 21 HA2 GLY 21 4.339 -2.981 3.090
152 HA3 GLY 21 HA1 GLY 21 3.117 -3.805 2.133
153 H ILE 22 HN ILE 22 3.219 -2.385 -0.227
154 HA ILE 22 HA ILE 22 5.486 -3.539 -1.480
155 HB ILE 22 HB ILE 22 3.612 -1.445 -2.591
156 HG12 ILE 22 HG12 ILE 22 3.464 -4.451 -2.893
157 HG13 ILE 22 HG11 ILE 22 2.511 -3.540 -1.726
158 HG21 ILE 22 HG21 ILE 22 5.688 -1.686 -3.862
159 HG22 ILE 22 HG22 ILE 22 4.303 -2.287 -4.772
160 HG23 ILE 22 HG23 ILE 22 5.407 -3.422 -3.995
161 HD11 ILE 22 HD11 ILE 22 1.206 -4.045 -3.698
162 HD12 ILE 22 HD12 ILE 22 2.403 -3.249 -4.719
163 HD13 ILE 22 HD13 ILE 22 1.463 -2.306 -3.562
164 H LEU 23 HN LEU 23 4.665 -0.255 -0.490
165 HA LEU 23 HA LEU 23 6.873 1.031 -1.692
166 HB2 LEU 23 HB2 LEU 23 4.986 2.337 -1.025
167 HB3 LEU 23 HB1 LEU 23 5.110 1.782 0.633
168 HG LEU 23 HG LEU 23 7.214 3.023 0.897
169 HD11 LEU 23 HD11 LEU 23 6.671 3.981 -1.911
170 HD12 LEU 23 HD12 LEU 23 8.006 2.947 -1.400
171 HD13 LEU 23 HD13 LEU 23 7.914 4.614 -0.832
172 HD21 LEU 23 HD21 LEU 23 5.097 4.086 1.483
173 HD22 LEU 23 HD22 LEU 23 4.941 4.696 -0.164
174 HD23 LEU 23 HD23 LEU 23 6.254 5.266 0.866
175 H ALA 24 HN ALA 24 6.373 -0.433 1.474
176 HA ALA 24 HA ALA 24 8.769 0.418 2.675
177 HB1 ALA 24 HB1 ALA 24 8.393 -1.347 4.293
178 HB2 ALA 24 HB2 ALA 24 7.227 -2.118 3.217
179 HB3 ALA 24 HB3 ALA 24 6.869 -0.540 3.918
180 H SER 25 HN SER 25 7.978 -2.393 0.697
181 HA SER 25 HA SER 25 10.425 -3.751 0.988
182 HB2 SER 25 HB2 SER 25 8.470 -3.786 -1.325
183 HB3 SER 25 HB1 SER 25 9.767 -4.954 -1.074
184 HG SER 25 HG SER 25 7.607 -5.552 -0.283
185 H MET 26 HN MET 26 9.375 -1.174 -1.147
186 HA MET 26 HA MET 26 11.628 -1.265 -2.877
187 HB2 MET 26 HB2 MET 26 9.643 0.941 -2.296
188 HB3 MET 26 HB1 MET 26 10.878 1.038 -3.544
189 HG2 MET 26 HG2 MET 26 9.868 -1.075 -4.508
190 HG3 MET 26 HG1 MET 26 8.518 -0.809 -3.408
191 HE1 MET 26 HE1 MET 26 6.876 1.283 -3.546
192 HE2 MET 26 HE2 MET 26 7.127 2.638 -4.647
193 HE3 MET 26 HE3 MET 26 8.278 2.335 -3.346
194 H ILE 27 HN ILE 27 10.839 0.651 0.005
195 HA ILE 27 HA ILE 27 13.113 2.293 -0.034
196 HB ILE 27 HB ILE 27 11.566 1.300 2.368
197 HG12 ILE 27 HG12 ILE 27 11.327 3.854 0.760
198 HG13 ILE 27 HG11 ILE 27 10.181 2.519 0.742
199 HG21 ILE 27 HG21 ILE 27 12.518 3.214 3.547
200 HG22 ILE 27 HG22 ILE 27 13.459 3.635 2.116
201 HG23 ILE 27 HG23 ILE 27 13.785 2.129 2.975
202 HD11 ILE 27 HD11 ILE 27 9.690 2.921 3.105
203 HD12 ILE 27 HD12 ILE 27 9.367 4.341 2.110
204 HD13 ILE 27 HD13 ILE 27 10.824 4.273 3.101
205 H VAL 28 HN VAL 28 12.542 -0.903 1.354
206 HA VAL 28 HA VAL 28 15.077 -1.145 2.601
207 HB VAL 28 HB VAL 28 13.177 -3.315 1.699
208 HG11 VAL 28 HG11 VAL 28 15.422 -4.196 2.004
209 HG12 VAL 28 HG12 VAL 28 14.370 -4.738 3.312
210 HG13 VAL 28 HG13 VAL 28 15.525 -3.434 3.591
211 HG21 VAL 28 HG21 VAL 28 12.407 -3.340 3.993
212 HG22 VAL 28 HG22 VAL 28 12.228 -1.717 3.326
213 HG23 VAL 28 HG23 VAL 28 13.561 -2.078 4.423
214 H ASN 29 HN ASN 29 13.841 -2.118 -0.586
215 HA ASN 29 HA ASN 29 16.158 -3.533 -1.359
216 HB2 ASN 29 HB2 ASN 29 15.232 -3.660 -3.519
217 HB3 ASN 29 HB1 ASN 29 13.846 -3.623 -2.449
218 HD21 ASN 29 HD21 ASN 29 12.540 -2.965 -4.147
219 HD22 ASN 29 HD22 ASN 29 12.562 -1.344 -4.744
220 H TRP 30 HN TRP 30 15.341 -0.172 -1.319
221 HA TRP 30 HA TRP 30 17.394 0.729 -3.073
222 HB2 TRP 30 HB2 TRP 30 15.672 2.272 -2.813
223 HB3 TRP 30 HB1 TRP 30 15.570 2.020 -1.076
224 HD1 TRP 30 HD1 TRP 30 18.301 3.427 -3.475
225 HE1 TRP 30 HE1 TRP 30 19.281 5.540 -2.379
226 HE3 TRP 30 HE3 TRP 30 15.551 3.452 0.830
227 HZ2 TRP 30 HZ2 TRP 30 18.930 7.023 0.000
228 HZ3 TRP 30 HZ3 TRP 30 15.931 5.249 2.465
229 HH2 TRP 30 HH2 TRP 30 17.588 6.998 2.058
230 H LEU 31 HN LEU 31 17.090 0.646 0.471
231 HA LEU 31 HA LEU 31 19.671 1.617 1.026
232 HB2 LEU 31 HB2 LEU 31 17.709 -0.004 2.617
233 HB3 LEU 31 HB1 LEU 31 19.275 0.446 3.268
234 HG LEU 31 HG LEU 31 17.304 2.473 2.234
235 HD11 LEU 31 HD11 LEU 31 16.251 1.247 4.041
236 HD12 LEU 31 HD12 LEU 31 16.703 2.865 4.577
237 HD13 LEU 31 HD13 LEU 31 17.679 1.474 5.050
238 HD21 LEU 31 HD21 LEU 31 19.672 2.714 4.086
239 HD22 LEU 31 HD22 LEU 31 18.629 4.030 3.544
240 HD23 LEU 31 HD23 LEU 31 19.651 3.179 2.385
241 H ASN 32 HN ASN 32 18.472 -1.531 0.202
242 HA ASN 32 HA ASN 32 20.742 -3.003 1.116
243 HB2 ASN 32 HB2 ASN 32 18.392 -3.647 -0.640
244 HB3 ASN 32 HB1 ASN 32 19.725 -4.784 -0.466
245 HD21 ASN 32 HD21 ASN 32 18.668 -2.665 2.101
246 HD22 ASN 32 HD22 ASN 32 18.012 -3.902 3.112
247 H LYS 33 HN LYS 33 20.071 -1.155 -1.718
248 HA LYS 33 HA LYS 33 22.270 -2.454 -3.161
249 HB2 LYS 33 HB2 LYS 33 21.416 -1.564 -5.158
250 HB3 LYS 33 HB1 LYS 33 19.993 -2.050 -4.248
251 HG2 LYS 33 HG2 LYS 33 19.209 -0.018 -4.701
252 HG3 LYS 33 HG1 LYS 33 20.341 0.562 -3.478
253 HD2 LYS 33 HD2 LYS 33 22.027 0.939 -5.195
254 HD3 LYS 33 HD1 LYS 33 20.930 0.314 -6.427
255 HE2 LYS 33 HE2 LYS 33 20.942 2.743 -6.449
256 HE3 LYS 33 HE1 LYS 33 19.365 2.137 -5.947
257 HZ1 LYS 33 HZ1 LYS 33 21.485 3.130 -4.118
258 HZ2 LYS 33 HZ2 LYS 33 19.955 2.579 -3.653
259 HZ3 LYS 33 HZ3 LYS 33 20.101 3.990 -4.574
260 H ARG 34 HN ARG 34 21.882 0.023 -1.049
261 HA ARG 34 HA ARG 34 24.155 1.489 -2.210
262 HB2 ARG 34 HB2 ARG 34 23.261 3.571 -1.290
263 HB3 ARG 34 HB1 ARG 34 22.128 2.846 -2.420
264 HG2 ARG 34 HG2 ARG 34 20.688 3.413 -0.759
265 HG3 ARG 34 HG1 ARG 34 21.139 1.801 -0.201
266 HD2 ARG 34 HD2 ARG 34 21.189 3.474 1.606
267 HD3 ARG 34 HD1 ARG 34 22.767 2.744 1.320
268 HE ARG 34 HE ARG 34 22.262 5.253 -0.043
269 HH11 ARG 34 HH11 ARG 34 23.631 3.646 2.731
270 HH12 ARG 34 HH12 ARG 34 24.691 4.957 3.126
271 HH21 ARG 34 HH21 ARG 34 23.657 6.981 0.472
272 HH22 ARG 34 HH22 ARG 34 24.706 6.849 1.844
273 H LYS 35 HN LYS 35 23.357 -0.566 0.112
274 HA LYS 35 HA LYS 35 24.189 -1.148 2.144
275 HB2 LYS 35 HB2 LYS 35 26.375 0.639 1.111
276 HB3 LYS 35 HB1 LYS 35 26.479 -0.083 2.710
277 HG2 LYS 35 HG2 LYS 35 27.689 -1.467 1.210
278 HG3 LYS 35 HG1 LYS 35 26.206 -2.319 1.640
279 HD2 LYS 35 HD2 LYS 35 25.186 -1.593 -0.467
280 HD3 LYS 35 HD1 LYS 35 26.676 -0.750 -0.895
281 HE2 LYS 35 HE2 LYS 35 26.541 -2.919 -2.007
282 HE3 LYS 35 HE1 LYS 35 27.889 -2.867 -0.873
283 HZ1 LYS 35 HZ1 LYS 35 26.556 -4.076 0.727
284 HZ2 LYS 35 HZ2 LYS 35 26.660 -4.946 -0.719
285 HZ3 LYS 35 HZ3 LYS 35 25.243 -4.106 -0.339
Start of MODEL 6
1 H1 MET 1 HT1 MET 1 -28.477 -0.393 2.305
2 H2 MET 1 HT2 MET 1 -28.083 -1.324 3.662
3 H3 MET 1 HT3 MET 1 -28.165 -2.048 2.135
4 HA MET 1 HA MET 1 -26.204 -0.002 2.991
5 HB2 MET 1 HB2 MET 1 -25.782 -2.191 3.990
6 HB3 MET 1 HB1 MET 1 -25.892 -2.954 2.410
7 HG2 MET 1 HG2 MET 1 -23.577 -2.654 3.229
8 HG3 MET 1 HG1 MET 1 -23.891 -1.887 1.674
9 HE1 MET 1 HE1 MET 1 -23.548 -1.270 5.556
10 HE2 MET 1 HE2 MET 1 -25.099 -0.534 5.152
11 HE3 MET 1 HE3 MET 1 -23.740 0.482 5.635
12 H THR 2 HN THR 2 -24.636 0.555 1.432
13 HA THR 2 HA THR 2 -25.482 0.045 -1.346
14 HB THR 2 HB THR 2 -23.942 2.295 -1.526
15 HG1 THR 2 HG1 THR 2 -24.113 2.249 0.920
16 HG21 THR 2 HG21 THR 2 -26.064 3.511 -1.789
17 HG22 THR 2 HG22 THR 2 -26.926 2.153 -1.064
18 HG23 THR 2 HG23 THR 2 -26.102 1.951 -2.610
19 H PHE 3 HN PHE 3 -24.106 -0.965 -2.616
20 HA PHE 3 HA PHE 3 -21.610 -1.906 -1.721
21 HB2 PHE 3 HB2 PHE 3 -23.212 -2.786 -3.597
22 HB3 PHE 3 HB1 PHE 3 -22.280 -1.714 -4.637
23 HD1 PHE 3 HD1 PHE 3 -20.515 -2.650 -5.752
24 HD2 PHE 3 HD2 PHE 3 -21.665 -4.255 -1.986
25 HE1 PHE 3 HE1 PHE 3 -18.775 -4.378 -5.964
26 HE2 PHE 3 HE2 PHE 3 -19.928 -5.987 -2.187
27 HZ PHE 3 HZ PHE 3 -18.479 -6.051 -4.179
28 H ALA 4 HN ALA 4 -22.549 0.882 -3.636
29 HA ALA 4 HA ALA 4 -19.941 1.570 -4.523
30 HB1 ALA 4 HB1 ALA 4 -22.364 3.338 -4.193
31 HB2 ALA 4 HB2 ALA 4 -21.961 2.397 -5.630
32 HB3 ALA 4 HB3 ALA 4 -20.915 3.723 -5.122
33 H GLU 5 HN GLU 5 -21.913 2.563 -1.754
34 HA GLU 5 HA GLU 5 -20.074 4.479 -0.766
35 HB2 GLU 5 HB2 GLU 5 -22.278 2.949 0.625
36 HB3 GLU 5 HB1 GLU 5 -21.372 4.263 1.364
37 HG2 GLU 5 HG2 GLU 5 -23.092 4.476 -1.096
38 HG3 GLU 5 HG1 GLU 5 -23.529 5.014 0.524
39 H LEU 6 HN LEU 6 -20.489 1.025 -0.260
40 HA LEU 6 HA LEU 6 -18.460 0.940 1.809
41 HB2 LEU 6 HB2 LEU 6 -20.536 -0.569 1.649
42 HB3 LEU 6 HB1 LEU 6 -19.656 -1.431 0.399
43 HG LEU 6 HG LEU 6 -18.174 -1.062 2.918
44 HD11 LEU 6 HD11 LEU 6 -20.586 -2.866 2.785
45 HD12 LEU 6 HD12 LEU 6 -20.401 -1.450 3.818
46 HD13 LEU 6 HD13 LEU 6 -19.373 -2.861 4.064
47 HD21 LEU 6 HD21 LEU 6 -17.296 -2.378 1.069
48 HD22 LEU 6 HD22 LEU 6 -18.716 -3.421 1.118
49 HD23 LEU 6 HD23 LEU 6 -17.590 -3.401 2.474
50 H GLY 7 HN GLY 7 -18.564 0.931 -1.563
51 HA2 GLY 7 HA2 GLY 7 -16.405 -0.830 -2.128
52 HA3 GLY 7 HA1 GLY 7 -17.025 0.417 -3.197
53 H MET 8 HN MET 8 -16.540 2.721 -1.889
54 HA MET 8 HA MET 8 -13.755 3.065 -2.296
55 HB2 MET 8 HB2 MET 8 -15.803 4.907 -1.051
56 HB3 MET 8 HB1 MET 8 -14.165 5.380 -1.481
57 HG2 MET 8 HG2 MET 8 -16.231 4.365 -3.418
58 HG3 MET 8 HG1 MET 8 -15.840 6.062 -3.147
59 HE1 MET 8 HE1 MET 8 -15.787 4.624 -6.021
60 HE2 MET 8 HE2 MET 8 -14.317 5.330 -6.692
61 HE3 MET 8 HE3 MET 8 -15.434 6.333 -5.766
62 H ALA 9 HN ALA 9 -15.767 2.807 0.596
63 HA ALA 9 HA ALA 9 -13.747 3.450 2.464
64 HB1 ALA 9 HB1 ALA 9 -16.209 1.753 2.860
65 HB2 ALA 9 HB2 ALA 9 -16.135 3.509 3.010
66 HB3 ALA 9 HB3 ALA 9 -15.237 2.489 4.133
67 H PHE 10 HN PHE 10 -14.921 0.356 1.196
68 HA PHE 10 HA PHE 10 -13.181 -1.253 2.762
69 HB2 PHE 10 HB2 PHE 10 -15.117 -2.323 1.957
70 HB3 PHE 10 HB1 PHE 10 -14.859 -1.751 0.315
71 HD1 PHE 10 HD1 PHE 10 -14.548 -3.503 -1.096
72 HD2 PHE 10 HD2 PHE 10 -12.710 -3.616 2.740
73 HE1 PHE 10 HE1 PHE 10 -13.460 -5.630 -1.685
74 HE2 PHE 10 HE2 PHE 10 -11.620 -5.744 2.162
75 HZ PHE 10 HZ PHE 10 -11.994 -6.756 -0.054
76 H TRP 11 HN TRP 11 -13.001 -0.030 -0.575
77 HA TRP 11 HA TRP 11 -10.615 -1.361 -1.253
78 HB2 TRP 11 HB2 TRP 11 -12.176 0.895 -2.373
79 HB3 TRP 11 HB1 TRP 11 -10.486 0.791 -2.854
80 HD1 TRP 11 HD1 TRP 11 -13.799 -0.459 -3.821
81 HE1 TRP 11 HE1 TRP 11 -13.595 -2.412 -5.483
82 HE3 TRP 11 HE3 TRP 11 -8.825 -1.506 -3.239
83 HZ2 TRP 11 HZ2 TRP 11 -11.594 -4.164 -6.423
84 HZ3 TRP 11 HZ3 TRP 11 -7.846 -3.337 -4.559
85 HH2 TRP 11 HH2 TRP 11 -9.203 -4.640 -6.116
86 H HIS 12 HN HIS 12 -11.205 1.827 0.159
87 HA HIS 12 HA HIS 12 -8.492 2.653 0.131
88 HB2 HIS 12 HB2 HIS 12 -10.916 3.574 1.664
89 HB3 HIS 12 HB1 HIS 12 -9.327 4.285 1.933
90 HD1 HIS 12 HD1 HIS 12 -10.596 3.344 -1.501
91 HD2 HIS 12 HD2 HIS 12 -9.893 6.719 0.818
92 HE1 HIS 12 HE1 HIS 12 -10.856 5.332 -3.044
93 H ASP 13 HN ASP 13 -10.511 1.029 2.528
94 HA ASP 13 HA ASP 13 -8.652 1.102 4.646
95 HB2 ASP 13 HB2 ASP 13 -11.038 0.648 4.996
96 HB3 ASP 13 HB1 ASP 13 -10.882 -0.873 4.123
97 H LEU 14 HN LEU 14 -9.300 -1.322 2.132
98 HA LEU 14 HA LEU 14 -7.354 -3.160 3.127
99 HB2 LEU 14 HB2 LEU 14 -7.858 -4.523 1.301
100 HB3 LEU 14 HB1 LEU 14 -9.367 -3.733 1.697
101 HG LEU 14 HG LEU 14 -8.575 -2.045 -0.187
102 HD11 LEU 14 HD11 LEU 14 -7.375 -4.619 -1.163
103 HD12 LEU 14 HD12 LEU 14 -6.411 -3.352 -0.407
104 HD13 LEU 14 HD13 LEU 14 -7.288 -3.019 -1.901
105 HD21 LEU 14 HD21 LEU 14 -9.754 -4.763 -0.752
106 HD22 LEU 14 HD22 LEU 14 -9.901 -3.334 -1.772
107 HD23 LEU 14 HD23 LEU 14 -10.646 -3.356 -0.175
108 H ALA 15 HN ALA 15 -7.325 -0.496 0.905
109 HA ALA 15 HA ALA 15 -4.870 -1.118 -0.378
110 HB1 ALA 15 HB1 ALA 15 -4.957 1.121 -1.265
111 HB2 ALA 15 HB2 ALA 15 -6.179 1.579 -0.077
112 HB3 ALA 15 HB3 ALA 15 -6.566 0.399 -1.330
113 H ALA 16 HN ALA 16 -5.698 0.666 2.535
114 HA ALA 16 HA ALA 16 -3.414 2.113 2.995
115 HB1 ALA 16 HB1 ALA 16 -4.846 0.639 5.189
116 HB2 ALA 16 HB2 ALA 16 -5.522 2.052 4.382
117 HB3 ALA 16 HB3 ALA 16 -4.007 2.188 5.276
118 HA PRO 17 HA PRO 17 -1.181 -1.622 5.066
119 HB2 PRO 17 HB2 PRO 17 -2.202 -4.112 4.728
120 HB3 PRO 17 HB1 PRO 17 -2.696 -3.058 6.067
121 HG2 PRO 17 HG2 PRO 17 -4.085 -3.595 3.485
122 HG3 PRO 17 HG1 PRO 17 -4.754 -3.486 5.127
123 HD2 PRO 17 HD2 PRO 17 -4.906 -1.445 3.359
124 HD3 PRO 17 HD1 PRO 17 -4.785 -1.193 5.110
125 H VAL 18 HN VAL 18 -2.769 -2.047 1.982
126 HA VAL 18 HA VAL 18 -0.864 -3.827 0.840
127 HB VAL 18 HB VAL 18 -2.906 -1.995 -0.420
128 HG11 VAL 18 HG11 VAL 18 -1.113 -2.303 -2.013
129 HG12 VAL 18 HG12 VAL 18 -2.514 -3.254 -2.507
130 HG13 VAL 18 HG13 VAL 18 -1.135 -4.046 -1.744
131 HG21 VAL 18 HG21 VAL 18 -2.896 -5.000 -0.273
132 HG22 VAL 18 HG22 VAL 18 -4.234 -3.934 -0.704
133 HG23 VAL 18 HG23 VAL 18 -3.646 -3.984 0.957
134 H ILE 19 HN ILE 19 -1.349 -0.324 0.634
135 HA ILE 19 HA ILE 19 0.863 0.161 -1.077
136 HB ILE 19 HB ILE 19 -0.546 2.083 0.777
137 HG12 ILE 19 HG12 ILE 19 -1.050 1.778 -2.173
138 HG13 ILE 19 HG11 ILE 19 -1.915 0.790 -0.999
139 HG21 ILE 19 HG21 ILE 19 1.188 2.569 -1.642
140 HG22 ILE 19 HG22 ILE 19 1.598 2.933 0.034
141 HG23 ILE 19 HG23 ILE 19 0.291 3.808 -0.764
142 HD11 ILE 19 HD11 ILE 19 -3.152 2.801 -1.720
143 HD12 ILE 19 HD12 ILE 19 -1.887 3.797 -0.998
144 HD13 ILE 19 HD13 ILE 19 -2.864 2.737 0.019
145 H ALA 20 HN ALA 20 0.401 0.254 2.421
146 HA ALA 20 HA ALA 20 2.882 1.412 3.086
147 HB1 ALA 20 HB1 ALA 20 0.935 1.257 4.610
148 HB2 ALA 20 HB2 ALA 20 2.438 0.685 5.336
149 HB3 ALA 20 HB3 ALA 20 1.237 -0.474 4.767
150 H GLY 21 HN GLY 21 1.867 -1.985 2.820
151 HA2 GLY 21 HA2 GLY 21 4.301 -3.122 3.675
152 HA3 GLY 21 HA1 GLY 21 3.084 -3.927 2.697
153 H ILE 22 HN ILE 22 3.106 -2.394 0.408
154 HA ILE 22 HA ILE 22 5.394 -3.409 -0.925
155 HB ILE 22 HB ILE 22 3.389 -1.370 -1.906
156 HG12 ILE 22 HG12 ILE 22 3.481 -4.359 -2.370
157 HG13 ILE 22 HG11 ILE 22 2.440 -3.577 -1.186
158 HG21 ILE 22 HG21 ILE 22 4.122 -2.061 -4.149
159 HG22 ILE 22 HG22 ILE 22 5.357 -3.088 -3.419
160 HG23 ILE 22 HG23 ILE 22 5.435 -1.337 -3.221
161 HD11 ILE 22 HD11 ILE 22 1.226 -4.113 -3.215
162 HD12 ILE 22 HD12 ILE 22 2.360 -3.151 -4.164
163 HD13 ILE 22 HD13 ILE 22 1.314 -2.368 -2.980
164 H LEU 23 HN LEU 23 4.515 -0.253 0.337
165 HA LEU 23 HA LEU 23 6.544 1.266 -0.869
166 HB2 LEU 23 HB2 LEU 23 4.711 2.380 0.181
167 HB3 LEU 23 HB1 LEU 23 5.036 1.604 1.718
168 HG LEU 23 HG LEU 23 7.121 2.890 1.929
169 HD11 LEU 23 HD11 LEU 23 7.637 3.184 -0.428
170 HD12 LEU 23 HD12 LEU 23 7.565 4.744 0.390
171 HD13 LEU 23 HD13 LEU 23 6.222 4.218 -0.625
172 HD21 LEU 23 HD21 LEU 23 6.089 5.074 2.325
173 HD22 LEU 23 HD22 LEU 23 5.073 3.758 2.913
174 HD23 LEU 23 HD23 LEU 23 4.674 4.571 1.400
175 H ALA 24 HN ALA 24 6.462 -0.668 2.062
176 HA ALA 24 HA ALA 24 8.958 0.120 3.112
177 HB1 ALA 24 HB1 ALA 24 8.788 -1.857 4.511
178 HB2 ALA 24 HB2 ALA 24 7.517 -2.505 3.474
179 HB3 ALA 24 HB3 ALA 24 7.226 -1.044 4.416
180 H SER 25 HN SER 25 8.010 -2.419 0.855
181 HA SER 25 HA SER 25 10.467 -3.770 0.729
182 HB2 SER 25 HB2 SER 25 8.319 -3.477 -1.385
183 HB3 SER 25 HB1 SER 25 9.643 -4.641 -1.445
184 HG SER 25 HG SER 25 8.791 -5.706 0.279
185 H MET 26 HN MET 26 9.273 -0.911 -0.936
186 HA MET 26 HA MET 26 11.386 -0.773 -2.832
187 HB2 MET 26 HB2 MET 26 9.553 1.406 -1.810
188 HB3 MET 26 HB1 MET 26 10.611 1.548 -3.208
189 HG2 MET 26 HG2 MET 26 9.364 -0.432 -4.176
190 HG3 MET 26 HG1 MET 26 8.193 -0.199 -2.879
191 HE1 MET 26 HE1 MET 26 6.783 2.042 -2.558
192 HE2 MET 26 HE2 MET 26 6.883 3.425 -3.647
193 HE3 MET 26 HE3 MET 26 8.252 3.015 -2.614
194 H ILE 27 HN ILE 27 10.866 0.689 0.357
195 HA ILE 27 HA ILE 27 13.158 2.323 0.347
196 HB ILE 27 HB ILE 27 11.746 1.047 2.696
197 HG12 ILE 27 HG12 ILE 27 11.532 3.814 1.486
198 HG13 ILE 27 HG11 ILE 27 10.325 2.540 1.356
199 HG21 ILE 27 HG21 ILE 27 12.853 2.756 4.062
200 HG22 ILE 27 HG22 ILE 27 13.751 3.302 2.645
201 HG23 ILE 27 HG23 ILE 27 14.021 1.683 3.291
202 HD11 ILE 27 HD11 ILE 27 9.998 2.621 3.781
203 HD12 ILE 27 HD12 ILE 27 9.677 4.176 3.014
204 HD13 ILE 27 HD13 ILE 27 11.187 3.919 3.888
205 H VAL 28 HN VAL 28 12.626 -1.020 1.368
206 HA VAL 28 HA VAL 28 15.232 -1.454 2.379
207 HB VAL 28 HB VAL 28 13.251 -3.461 1.290
208 HG11 VAL 28 HG11 VAL 28 15.724 -3.873 2.970
209 HG12 VAL 28 HG12 VAL 28 15.492 -4.392 1.301
210 HG13 VAL 28 HG13 VAL 28 14.530 -5.115 2.591
211 HG21 VAL 28 HG21 VAL 28 12.408 -2.154 3.188
212 HG22 VAL 28 HG22 VAL 28 13.825 -2.616 4.129
213 HG23 VAL 28 HG23 VAL 28 12.666 -3.844 3.620
214 H ASN 29 HN ASN 29 13.770 -2.031 -0.813
215 HA ASN 29 HA ASN 29 16.000 -3.302 -1.952
216 HB2 ASN 29 HB2 ASN 29 14.917 -3.097 -4.028
217 HB3 ASN 29 HB1 ASN 29 13.605 -3.165 -2.870
218 HD21 ASN 29 HD21 ASN 29 12.220 -2.228 -4.355
219 HD22 ASN 29 HD22 ASN 29 12.275 -0.541 -4.725
220 H TRP 30 HN TRP 30 15.276 0.021 -1.333
221 HA TRP 30 HA TRP 30 17.216 1.157 -3.075
222 HB2 TRP 30 HB2 TRP 30 15.528 2.639 -2.449
223 HB3 TRP 30 HB1 TRP 30 15.592 2.155 -0.760
224 HD1 TRP 30 HD1 TRP 30 18.137 3.841 -3.191
225 HE1 TRP 30 HE1 TRP 30 19.224 5.804 -1.926
226 HE3 TRP 30 HE3 TRP 30 15.731 3.348 1.285
227 HZ2 TRP 30 HZ2 TRP 30 19.078 6.984 0.641
228 HZ3 TRP 30 HZ3 TRP 30 16.259 4.920 3.093
229 HH2 TRP 30 HH2 TRP 30 17.899 6.706 2.779
230 H LEU 31 HN LEU 31 17.190 0.535 0.442
231 HA LEU 31 HA LEU 31 19.828 1.394 0.893
232 HB2 LEU 31 HB2 LEU 31 17.899 -0.321 2.391
233 HB3 LEU 31 HB1 LEU 31 19.568 -0.277 2.915
234 HG LEU 31 HG LEU 31 18.867 1.388 4.228
235 HD11 LEU 31 HD11 LEU 31 18.997 3.620 3.312
236 HD12 LEU 31 HD12 LEU 31 18.833 2.976 1.679
237 HD13 LEU 31 HD13 LEU 31 20.263 2.594 2.637
238 HD21 LEU 31 HD21 LEU 31 16.807 2.691 3.856
239 HD22 LEU 31 HD22 LEU 31 16.541 0.948 3.862
240 HD23 LEU 31 HD23 LEU 31 16.577 1.829 2.336
241 H ASN 32 HN ASN 32 18.526 -1.597 -0.299
242 HA ASN 32 HA ASN 32 20.769 -3.239 0.205
243 HB2 ASN 32 HB2 ASN 32 18.485 -3.392 -1.747
244 HB3 ASN 32 HB1 ASN 32 19.793 -4.569 -1.794
245 HD21 ASN 32 HD21 ASN 32 18.733 -3.125 1.190
246 HD22 ASN 32 HD22 ASN 32 17.982 -4.539 1.838
247 H LYS 33 HN LYS 33 20.312 -0.636 -1.872
248 HA LYS 33 HA LYS 33 22.331 -1.484 -3.795
249 HB2 LYS 33 HB2 LYS 33 20.352 -0.305 -4.637
250 HB3 LYS 33 HB1 LYS 33 20.709 1.066 -3.598
251 HG2 LYS 33 HG2 LYS 33 22.819 0.226 -5.498
252 HG3 LYS 33 HG1 LYS 33 21.377 0.991 -6.167
253 HD2 LYS 33 HD2 LYS 33 21.700 2.931 -4.774
254 HD3 LYS 33 HD1 LYS 33 23.048 2.155 -3.941
255 HE2 LYS 33 HE2 LYS 33 22.966 2.865 -6.870
256 HE3 LYS 33 HE1 LYS 33 23.808 3.778 -5.618
257 HZ1 LYS 33 HZ1 LYS 33 25.297 2.303 -6.843
258 HZ2 LYS 33 HZ2 LYS 33 24.388 0.961 -6.361
259 HZ3 LYS 33 HZ3 LYS 33 25.220 1.877 -5.208
260 H ARG 34 HN ARG 34 21.932 0.477 -0.978
261 HA ARG 34 HA ARG 34 24.714 1.408 -1.227
262 HB2 ARG 34 HB2 ARG 34 24.037 3.238 0.359
263 HB3 ARG 34 HB1 ARG 34 23.300 3.324 -1.233
264 HG2 ARG 34 HG2 ARG 34 21.254 2.279 -0.279
265 HG3 ARG 34 HG1 ARG 34 22.000 2.377 1.318
266 HD2 ARG 34 HD2 ARG 34 21.357 4.683 -0.518
267 HD3 ARG 34 HD1 ARG 34 20.523 4.266 0.978
268 HE ARG 34 HE ARG 34 23.120 4.619 1.727
269 HH11 ARG 34 HH11 ARG 34 20.761 6.569 0.062
270 HH12 ARG 34 HH12 ARG 34 21.423 8.071 0.615
271 HH21 ARG 34 HH21 ARG 34 23.999 6.591 2.458
272 HH22 ARG 34 HH22 ARG 34 23.264 8.084 1.976
273 H LYS 35 HN LYS 35 25.289 -0.703 -0.336
274 HA LYS 35 HA LYS 35 24.607 -1.150 2.455
275 HB2 LYS 35 HB2 LYS 35 25.981 -3.236 2.169
276 HB3 LYS 35 HB1 LYS 35 24.581 -3.122 1.114
277 HG2 LYS 35 HG2 LYS 35 27.202 -2.165 0.089
278 HG3 LYS 35 HG1 LYS 35 26.925 -3.903 0.216
279 HD2 LYS 35 HD2 LYS 35 24.991 -3.752 -1.205
280 HD3 LYS 35 HD1 LYS 35 25.087 -1.990 -1.220
281 HE2 LYS 35 HE2 LYS 35 25.980 -3.015 -3.282
282 HE3 LYS 35 HE1 LYS 35 27.186 -2.072 -2.408
283 HZ1 LYS 35 HZ1 LYS 35 26.911 -5.029 -2.307
284 HZ2 LYS 35 HZ2 LYS 35 28.080 -4.117 -1.494
285 HZ3 LYS 35 HZ3 LYS 35 28.085 -4.180 -3.184
Start of MODEL 7
1 H1 MET 1 HT1 MET 1 27.991 -0.614 4.054
2 H2 MET 1 HT2 MET 1 28.142 0.254 2.610
3 H3 MET 1 HT3 MET 1 28.308 -1.429 2.605
4 HA MET 1 HA MET 1 26.007 -1.692 3.259
5 HB2 MET 1 HB2 MET 1 25.828 0.451 4.471
6 HB3 MET 1 HB1 MET 1 25.906 1.316 2.943
7 HG2 MET 1 HG2 MET 1 23.818 0.264 2.240
8 HG3 MET 1 HG1 MET 1 23.741 -0.604 3.772
9 HE1 MET 1 HE1 MET 1 24.725 1.448 5.860
10 HE2 MET 1 HE2 MET 1 23.226 0.558 6.124
11 HE3 MET 1 HE3 MET 1 23.262 2.308 6.338
12 H THR 2 HN THR 2 24.414 -1.958 1.657
13 HA THR 2 HA THR 2 25.314 -1.225 -1.051
14 HB THR 2 HB THR 2 23.487 -3.321 -1.322
15 HG1 THR 2 HG1 THR 2 23.635 -4.054 0.733
16 HG21 THR 2 HG21 THR 2 25.471 -2.954 -2.696
17 HG22 THR 2 HG22 THR 2 25.448 -4.599 -2.063
18 HG23 THR 2 HG23 THR 2 26.506 -3.391 -1.337
19 H PHE 3 HN PHE 3 24.048 0.060 -2.186
20 HA PHE 3 HA PHE 3 21.654 1.139 -1.168
21 HB2 PHE 3 HB2 PHE 3 23.346 2.044 -2.965
22 HB3 PHE 3 HB1 PHE 3 22.273 1.223 -4.096
23 HD1 PHE 3 HD1 PHE 3 22.136 3.575 -1.217
24 HD2 PHE 3 HD2 PHE 3 20.490 2.393 -4.958
25 HE1 PHE 3 HE1 PHE 3 20.615 5.505 -1.152
26 HE2 PHE 3 HE2 PHE 3 18.965 4.325 -4.903
27 HZ PHE 3 HZ PHE 3 19.026 5.885 -2.997
28 H ALA 4 HN ALA 4 22.316 -1.518 -3.354
29 HA ALA 4 HA ALA 4 19.660 -1.837 -4.311
30 HB1 ALA 4 HB1 ALA 4 20.418 -4.014 -5.118
31 HB2 ALA 4 HB2 ALA 4 21.896 -3.859 -4.168
32 HB3 ALA 4 HB3 ALA 4 21.587 -2.751 -5.505
33 H GLU 5 HN GLU 5 21.488 -3.271 -1.639
34 HA GLU 5 HA GLU 5 19.467 -5.098 -0.856
35 HB2 GLU 5 HB2 GLU 5 21.766 -3.914 0.710
36 HB3 GLU 5 HB1 GLU 5 20.747 -5.227 1.283
37 HG2 GLU 5 HG2 GLU 5 22.526 -5.285 -1.143
38 HG3 GLU 5 HG1 GLU 5 22.834 -6.076 0.402
39 H LEU 6 HN LEU 6 20.221 -1.775 0.018
40 HA LEU 6 HA LEU 6 18.148 -1.680 2.037
41 HB2 LEU 6 HB2 LEU 6 20.354 -0.378 2.086
42 HB3 LEU 6 HB1 LEU 6 19.634 0.665 0.872
43 HG LEU 6 HG LEU 6 17.998 0.273 3.291
44 HD11 LEU 6 HD11 LEU 6 20.216 0.355 4.302
45 HD12 LEU 6 HD12 LEU 6 19.311 1.832 4.632
46 HD13 LEU 6 HD13 LEU 6 20.577 1.830 3.405
47 HD21 LEU 6 HD21 LEU 6 17.323 1.809 1.554
48 HD22 LEU 6 HD22 LEU 6 18.862 2.661 1.666
49 HD23 LEU 6 HD23 LEU 6 17.726 2.712 3.014
50 H GLY 7 HN GLY 7 18.354 -1.382 -1.310
51 HA2 GLY 7 HA2 GLY 7 16.384 0.619 -1.762
52 HA3 GLY 7 HA1 GLY 7 16.944 -0.566 -2.932
53 H MET 8 HN MET 8 16.223 -2.938 -1.813
54 HA MET 8 HA MET 8 13.455 -3.033 -2.393
55 HB2 MET 8 HB2 MET 8 15.309 -5.079 -1.169
56 HB3 MET 8 HB1 MET 8 13.640 -5.416 -1.609
57 HG2 MET 8 HG2 MET 8 15.819 -4.544 -3.493
58 HG3 MET 8 HG1 MET 8 15.195 -6.182 -3.316
59 HE1 MET 8 HE1 MET 8 14.844 -6.193 -5.981
60 HE2 MET 8 HE2 MET 8 15.398 -4.522 -6.088
61 HE3 MET 8 HE3 MET 8 13.873 -4.996 -6.838
62 H ALA 9 HN ALA 9 15.274 -3.192 0.644
63 HA ALA 9 HA ALA 9 13.052 -3.704 2.310
64 HB1 ALA 9 HB1 ALA 9 14.511 -3.030 4.150
65 HB2 ALA 9 HB2 ALA 9 15.670 -2.371 2.996
66 HB3 ALA 9 HB3 ALA 9 15.347 -4.105 3.030
67 H PHE 10 HN PHE 10 14.648 -0.688 1.343
68 HA PHE 10 HA PHE 10 13.004 1.003 2.925
69 HB2 PHE 10 HB2 PHE 10 15.088 1.901 2.298
70 HB3 PHE 10 HB1 PHE 10 14.865 1.471 0.607
71 HD1 PHE 10 HD1 PHE 10 12.779 3.393 3.044
72 HD2 PHE 10 HD2 PHE 10 14.845 3.344 -0.676
73 HE1 PHE 10 HE1 PHE 10 11.965 5.666 2.568
74 HE2 PHE 10 HE2 PHE 10 14.031 5.615 -1.162
75 HZ PHE 10 HZ PHE 10 12.590 6.780 0.461
76 H TRP 11 HN TRP 11 12.874 -0.034 -0.463
77 HA TRP 11 HA TRP 11 10.692 1.602 -1.190
78 HB2 TRP 11 HB2 TRP 11 12.090 -0.729 -2.375
79 HB3 TRP 11 HB1 TRP 11 10.451 -0.422 -2.940
80 HD1 TRP 11 HD1 TRP 11 13.938 0.577 -3.599
81 HE1 TRP 11 HE1 TRP 11 14.016 2.637 -5.141
82 HE3 TRP 11 HE3 TRP 11 9.037 1.993 -3.305
83 HZ2 TRP 11 HZ2 TRP 11 12.232 4.603 -6.106
84 HZ3 TRP 11 HZ3 TRP 11 8.302 3.974 -4.568
85 HH2 TRP 11 HH2 TRP 11 9.868 5.252 -5.937
86 H HIS 12 HN HIS 12 10.892 -1.704 0.036
87 HA HIS 12 HA HIS 12 8.123 -2.265 -0.182
88 HB2 HIS 12 HB2 HIS 12 10.354 -3.488 1.430
89 HB3 HIS 12 HB1 HIS 12 8.695 -4.062 1.562
90 HD1 HIS 12 HD1 HIS 12 10.275 -3.058 -1.723
91 HD2 HIS 12 HD2 HIS 12 9.097 -6.469 0.334
92 HE1 HIS 12 HE1 HIS 12 10.438 -4.971 -3.369
93 H ASP 13 HN ASP 13 10.140 -0.948 2.393
94 HA ASP 13 HA ASP 13 8.150 -0.952 4.399
95 HB2 ASP 13 HB2 ASP 13 10.535 -0.780 4.930
96 HB3 ASP 13 HB1 ASP 13 10.611 0.785 4.126
97 H LEU 14 HN LEU 14 9.209 1.515 2.069
98 HA LEU 14 HA LEU 14 7.394 3.490 3.050
99 HB2 LEU 14 HB2 LEU 14 8.116 4.879 1.307
100 HB3 LEU 14 HB1 LEU 14 9.523 3.963 1.796
101 HG LEU 14 HG LEU 14 8.797 2.403 -0.207
102 HD11 LEU 14 HD11 LEU 14 7.756 5.082 -1.098
103 HD12 LEU 14 HD12 LEU 14 6.728 3.739 -0.604
104 HD13 LEU 14 HD13 LEU 14 7.773 3.576 -2.016
105 HD21 LEU 14 HD21 LEU 14 10.925 3.618 0.034
106 HD22 LEU 14 HD22 LEU 14 10.154 5.066 -0.613
107 HD23 LEU 14 HD23 LEU 14 10.331 3.634 -1.626
108 H ALA 15 HN ALA 15 7.254 0.961 0.681
109 HA ALA 15 HA ALA 15 4.934 1.871 -0.680
110 HB1 ALA 15 HB1 ALA 15 6.509 0.257 -1.657
111 HB2 ALA 15 HB2 ALA 15 4.850 -0.342 -1.661
112 HB3 ALA 15 HB3 ALA 15 6.000 -0.941 -0.466
113 H ALA 16 HN ALA 16 5.462 -0.117 2.168
114 HA ALA 16 HA ALA 16 3.063 -1.398 2.461
115 HB1 ALA 16 HB1 ALA 16 4.898 -1.756 3.986
116 HB2 ALA 16 HB2 ALA 16 3.447 -1.324 4.893
117 HB3 ALA 16 HB3 ALA 16 4.718 -0.129 4.638
118 HA PRO 17 HA PRO 17 0.992 2.426 4.550
119 HB2 PRO 17 HB2 PRO 17 2.219 4.842 4.359
120 HB3 PRO 17 HB1 PRO 17 2.541 3.711 5.688
121 HG2 PRO 17 HG2 PRO 17 4.137 4.220 3.223
122 HG3 PRO 17 HG1 PRO 17 4.682 3.998 4.899
123 HD2 PRO 17 HD2 PRO 17 4.790 2.018 3.060
124 HD3 PRO 17 HD1 PRO 17 4.537 1.714 4.789
125 H VAL 18 HN VAL 18 2.766 2.805 1.566
126 HA VAL 18 HA VAL 18 1.076 4.761 0.377
127 HB VAL 18 HB VAL 18 2.957 2.754 -0.881
128 HG11 VAL 18 HG11 VAL 18 2.835 4.195 -2.888
129 HG12 VAL 18 HG12 VAL 18 1.526 5.098 -2.125
130 HG13 VAL 18 HG13 VAL 18 1.308 3.393 -2.520
131 HG21 VAL 18 HG21 VAL 18 4.566 4.463 -0.941
132 HG22 VAL 18 HG22 VAL 18 3.853 4.577 0.668
133 HG23 VAL 18 HG23 VAL 18 3.372 5.714 -0.590
134 H ILE 19 HN ILE 19 1.293 1.239 0.076
135 HA ILE 19 HA ILE 19 -0.917 0.973 -1.686
136 HB ILE 19 HB ILE 19 0.296 -1.121 0.121
137 HG12 ILE 19 HG12 ILE 19 0.964 -0.711 -2.783
138 HG13 ILE 19 HG11 ILE 19 1.831 0.166 -1.526
139 HG21 ILE 19 HG21 ILE 19 -1.339 -1.363 -2.402
140 HG22 ILE 19 HG22 ILE 19 -1.868 -1.769 -0.769
141 HG23 ILE 19 HG23 ILE 19 -0.586 -2.704 -1.539
142 HD11 ILE 19 HD11 ILE 19 3.016 -1.844 -2.238
143 HD12 ILE 19 HD12 ILE 19 1.638 -2.829 -1.744
144 HD13 ILE 19 HD13 ILE 19 2.554 -1.923 -0.539
145 H ALA 20 HN ALA 20 -0.519 0.770 1.811
146 HA ALA 20 HA ALA 20 -3.042 -0.281 2.450
147 HB1 ALA 20 HB1 ALA 20 -2.629 0.553 4.703
148 HB2 ALA 20 HB2 ALA 20 -1.307 1.552 4.101
149 HB3 ALA 20 HB3 ALA 20 -1.183 -0.206 4.037
150 H GLY 21 HN GLY 21 -1.951 3.073 2.054
151 HA2 GLY 21 HA2 GLY 21 -4.337 4.306 2.921
152 HA3 GLY 21 HA1 GLY 21 -3.130 5.039 1.875
153 H ILE 22 HN ILE 22 -3.234 3.406 -0.331
154 HA ILE 22 HA ILE 22 -5.541 4.384 -1.663
155 HB ILE 22 HB ILE 22 -3.611 2.250 -2.590
156 HG12 ILE 22 HG12 ILE 22 -3.573 5.211 -3.206
157 HG13 ILE 22 HG11 ILE 22 -2.579 4.465 -1.960
158 HG21 ILE 22 HG21 ILE 22 -5.514 4.000 -4.145
159 HG22 ILE 22 HG22 ILE 22 -5.690 2.269 -3.860
160 HG23 ILE 22 HG23 ILE 22 -4.352 2.870 -4.840
161 HD11 ILE 22 HD11 ILE 22 -1.463 3.111 -3.636
162 HD12 ILE 22 HD12 ILE 22 -1.341 4.826 -4.030
163 HD13 ILE 22 HD13 ILE 22 -2.488 3.801 -4.894
164 H LEU 23 HN LEU 23 -4.650 1.283 -0.282
165 HA LEU 23 HA LEU 23 -6.764 -0.237 -1.376
166 HB2 LEU 23 HB2 LEU 23 -4.788 -1.301 -0.480
167 HB3 LEU 23 HB1 LEU 23 -5.105 -0.639 1.111
168 HG LEU 23 HG LEU 23 -7.164 -2.012 1.242
169 HD11 LEU 23 HD11 LEU 23 -7.617 -2.232 -1.142
170 HD12 LEU 23 HD12 LEU 23 -7.497 -3.816 -0.376
171 HD13 LEU 23 HD13 LEU 23 -6.156 -3.199 -1.340
172 HD21 LEU 23 HD21 LEU 23 -5.085 -2.812 2.223
173 HD22 LEU 23 HD22 LEU 23 -4.627 -3.543 0.685
174 HD23 LEU 23 HD23 LEU 23 -6.026 -4.153 1.570
175 H ALA 24 HN ALA 24 -6.473 1.738 1.514
176 HA ALA 24 HA ALA 24 -8.766 0.886 2.873
177 HB1 ALA 24 HB1 ALA 24 -7.053 2.320 3.880
178 HB2 ALA 24 HB2 ALA 24 -8.664 3.016 4.051
179 HB3 ALA 24 HB3 ALA 24 -7.554 3.649 2.836
180 H SER 25 HN SER 25 -8.343 3.458 0.468
181 HA SER 25 HA SER 25 -10.981 4.402 0.472
182 HB2 SER 25 HB2 SER 25 -9.147 5.645 -0.577
183 HB3 SER 25 HB1 SER 25 -8.966 4.378 -1.791
184 HG SER 25 HG SER 25 -10.733 6.442 -1.690
185 H MET 26 HN MET 26 -9.466 1.690 -1.126
186 HA MET 26 HA MET 26 -11.564 1.128 -2.952
187 HB2 MET 26 HB2 MET 26 -9.443 -0.692 -1.793
188 HB3 MET 26 HB1 MET 26 -10.477 -1.089 -3.159
189 HG2 MET 26 HG2 MET 26 -9.508 0.698 -4.459
190 HG3 MET 26 HG1 MET 26 -8.534 1.208 -3.082
191 HE1 MET 26 HE1 MET 26 -7.958 -2.836 -5.237
192 HE2 MET 26 HE2 MET 26 -9.177 -1.652 -5.707
193 HE3 MET 26 HE3 MET 26 -9.316 -2.494 -4.164
194 H ILE 27 HN ILE 27 -10.759 -0.094 0.278
195 HA ILE 27 HA ILE 27 -12.829 -1.992 0.457
196 HB ILE 27 HB ILE 27 -11.495 -0.466 2.701
197 HG12 ILE 27 HG12 ILE 27 -10.873 -3.203 1.566
198 HG13 ILE 27 HG11 ILE 27 -9.940 -1.747 1.237
199 HG21 ILE 27 HG21 ILE 27 -13.585 -1.471 3.421
200 HG22 ILE 27 HG22 ILE 27 -12.217 -2.343 4.114
201 HG23 ILE 27 HG23 ILE 27 -13.094 -3.024 2.744
202 HD11 ILE 27 HD11 ILE 27 -8.856 -3.104 2.920
203 HD12 ILE 27 HD12 ILE 27 -10.305 -3.052 3.924
204 HD13 ILE 27 HD13 ILE 27 -9.392 -1.574 3.616
205 H VAL 28 HN VAL 28 -12.669 1.422 1.404
206 HA VAL 28 HA VAL 28 -15.231 1.549 2.587
207 HB VAL 28 HB VAL 28 -13.667 3.776 1.269
208 HG11 VAL 28 HG11 VAL 28 -15.023 5.279 2.619
209 HG12 VAL 28 HG12 VAL 28 -15.913 3.907 3.279
210 HG13 VAL 28 HG13 VAL 28 -16.048 4.302 1.566
211 HG21 VAL 28 HG21 VAL 28 -12.820 4.286 3.466
212 HG22 VAL 28 HG22 VAL 28 -12.462 2.600 3.095
213 HG23 VAL 28 HG23 VAL 28 -13.791 3.001 4.181
214 H ASN 29 HN ASN 29 -14.097 2.282 -0.698
215 HA ASN 29 HA ASN 29 -16.522 3.186 -1.750
216 HB2 ASN 29 HB2 ASN 29 -14.162 1.822 -3.044
217 HB3 ASN 29 HB1 ASN 29 -15.539 2.406 -3.970
218 HD21 ASN 29 HD21 ASN 29 -12.749 3.236 -4.051
219 HD22 ASN 29 HD22 ASN 29 -12.743 4.931 -3.715
220 H TRP 30 HN TRP 30 -15.204 -0.069 -1.447
221 HA TRP 30 HA TRP 30 -17.216 -1.406 -2.905
222 HB2 TRP 30 HB2 TRP 30 -15.316 -2.701 -2.581
223 HB3 TRP 30 HB1 TRP 30 -15.150 -2.221 -0.897
224 HD1 TRP 30 HD1 TRP 30 -17.756 -4.266 -2.947
225 HE1 TRP 30 HE1 TRP 30 -18.431 -6.307 -1.533
226 HE3 TRP 30 HE3 TRP 30 -14.924 -3.345 1.204
227 HZ2 TRP 30 HZ2 TRP 30 -17.843 -7.383 1.010
228 HZ3 TRP 30 HZ3 TRP 30 -15.039 -4.926 3.085
229 HH2 TRP 30 HH2 TRP 30 -16.467 -6.904 2.989
230 H LEU 31 HN LEU 31 -16.817 -0.785 0.565
231 HA LEU 31 HA LEU 31 -19.150 -2.102 1.408
232 HB2 LEU 31 HB2 LEU 31 -17.456 0.061 2.603
233 HB3 LEU 31 HB1 LEU 31 -18.913 -0.494 3.407
234 HG LEU 31 HG LEU 31 -16.764 -2.425 2.598
235 HD11 LEU 31 HD11 LEU 31 -15.831 -2.213 4.845
236 HD12 LEU 31 HD12 LEU 31 -16.937 -0.881 5.178
237 HD13 LEU 31 HD13 LEU 31 -15.691 -0.704 3.943
238 HD21 LEU 31 HD21 LEU 31 -17.721 -3.754 4.405
239 HD22 LEU 31 HD22 LEU 31 -18.949 -3.328 3.213
240 HD23 LEU 31 HD23 LEU 31 -18.875 -2.467 4.750
241 H ASN 32 HN ASN 32 -18.608 1.052 0.053
242 HA ASN 32 HA ASN 32 -21.061 2.225 0.879
243 HB2 ASN 32 HB2 ASN 32 -19.166 2.925 -1.369
244 HB3 ASN 32 HB1 ASN 32 -20.568 3.897 -0.929
245 HD21 ASN 32 HD21 ASN 32 -17.739 4.582 -0.890
246 HD22 ASN 32 HD22 ASN 32 -17.380 5.049 0.734
247 H LYS 33 HN LYS 33 -20.193 0.027 -1.623
248 HA LYS 33 HA LYS 33 -22.540 0.561 -3.232
249 HB2 LYS 33 HB2 LYS 33 -20.636 -0.069 -4.475
250 HB3 LYS 33 HB1 LYS 33 -20.297 -1.432 -3.416
251 HG2 LYS 33 HG2 LYS 33 -22.337 -2.541 -4.219
252 HG3 LYS 33 HG1 LYS 33 -22.620 -1.188 -5.316
253 HD2 LYS 33 HD2 LYS 33 -20.661 -1.667 -6.550
254 HD3 LYS 33 HD1 LYS 33 -20.090 -2.806 -5.330
255 HE2 LYS 33 HE2 LYS 33 -22.620 -3.183 -6.920
256 HE3 LYS 33 HE1 LYS 33 -21.062 -3.862 -7.390
257 HZ1 LYS 33 HZ1 LYS 33 -22.495 -4.423 -4.849
258 HZ2 LYS 33 HZ2 LYS 33 -21.010 -5.087 -5.311
259 HZ3 LYS 33 HZ3 LYS 33 -22.411 -5.463 -6.182
260 H ARG 34 HN ARG 34 -21.334 -2.092 -1.192
261 HA ARG 34 HA ARG 34 -23.730 -3.632 -1.490
262 HB2 ARG 34 HB2 ARG 34 -22.739 -5.109 0.208
263 HB3 ARG 34 HB1 ARG 34 -21.605 -4.741 -1.084
264 HG2 ARG 34 HG2 ARG 34 -20.348 -3.299 0.287
265 HG3 ARG 34 HG1 ARG 34 -21.617 -3.233 1.512
266 HD2 ARG 34 HD2 ARG 34 -19.964 -5.649 0.785
267 HD3 ARG 34 HD1 ARG 34 -19.782 -4.663 2.236
268 HE ARG 34 HE ARG 34 -22.426 -5.666 2.015
269 HH11 ARG 34 HH11 ARG 34 -19.179 -6.614 2.859
270 HH12 ARG 34 HH12 ARG 34 -19.690 -7.885 3.918
271 HH21 ARG 34 HH21 ARG 34 -23.103 -7.335 3.407
272 HH22 ARG 34 HH22 ARG 34 -21.920 -8.294 4.231
273 H LYS 35 HN LYS 35 -23.917 -0.854 -0.378
274 HA LYS 35 HA LYS 35 -24.482 -0.840 2.344
275 HB2 LYS 35 HB2 LYS 35 -26.024 1.099 1.737
276 HB3 LYS 35 HB1 LYS 35 -24.337 1.249 1.267
277 HG2 LYS 35 HG2 LYS 35 -24.991 0.443 -1.011
278 HG3 LYS 35 HG1 LYS 35 -26.674 0.565 -0.496
279 HD2 LYS 35 HD2 LYS 35 -26.368 2.947 -0.044
280 HD3 LYS 35 HD1 LYS 35 -24.678 2.827 -0.540
281 HE2 LYS 35 HE2 LYS 35 -25.405 2.132 -2.783
282 HE3 LYS 35 HE1 LYS 35 -27.086 2.304 -2.280
283 HZ1 LYS 35 HZ1 LYS 35 -26.680 4.658 -1.882
284 HZ2 LYS 35 HZ2 LYS 35 -26.336 4.248 -3.487
285 HZ3 LYS 35 HZ3 LYS 35 -25.074 4.486 -2.387
Start of MODEL 8
1 H1 MET 1 HT1 MET 1 -26.796 -2.237 3.751
2 H2 MET 1 HT2 MET 1 -28.092 -1.254 3.287
3 H3 MET 1 HT3 MET 1 -27.388 -1.060 4.813
4 HA MET 1 HA MET 1 -26.688 0.692 3.328
5 HB2 MET 1 HB2 MET 1 -24.257 0.417 3.616
6 HB3 MET 1 HB1 MET 1 -25.143 -0.037 5.065
7 HG2 MET 1 HG2 MET 1 -24.951 -2.416 4.346
8 HG3 MET 1 HG1 MET 1 -23.901 -1.877 3.037
9 HE1 MET 1 HE1 MET 1 -22.874 -1.397 7.513
10 HE2 MET 1 HE2 MET 1 -24.340 -2.186 6.930
11 HE3 MET 1 HE3 MET 1 -24.120 -0.452 6.698
12 H THR 2 HN THR 2 -24.993 1.158 1.588
13 HA THR 2 HA THR 2 -25.646 -0.512 -0.726
14 HB THR 2 HB THR 2 -24.114 1.825 -1.412
15 HG1 THR 2 HG1 THR 2 -26.353 2.204 0.305
16 HG21 THR 2 HG21 THR 2 -25.619 0.644 -2.925
17 HG22 THR 2 HG22 THR 2 -26.114 2.328 -2.752
18 HG23 THR 2 HG23 THR 2 -26.995 1.058 -1.902
19 H PHE 3 HN PHE 3 -24.184 -1.648 -1.836
20 HA PHE 3 HA PHE 3 -21.675 -2.245 -0.713
21 HB2 PHE 3 HB2 PHE 3 -23.176 -3.608 -2.358
22 HB3 PHE 3 HB1 PHE 3 -22.291 -2.739 -3.609
23 HD1 PHE 3 HD1 PHE 3 -21.564 -4.582 -0.456
24 HD2 PHE 3 HD2 PHE 3 -20.466 -3.802 -4.489
25 HE1 PHE 3 HE1 PHE 3 -19.726 -6.209 -0.265
26 HE2 PHE 3 HE2 PHE 3 -18.627 -5.428 -4.310
27 HZ PHE 3 HZ PHE 3 -18.255 -6.635 -2.195
28 H ALA 4 HN ALA 4 -22.685 0.015 -3.200
29 HA ALA 4 HA ALA 4 -20.096 0.618 -4.190
30 HB1 ALA 4 HB1 ALA 4 -22.601 2.300 -4.242
31 HB2 ALA 4 HB2 ALA 4 -22.110 1.130 -5.466
32 HB3 ALA 4 HB3 ALA 4 -21.147 2.583 -5.200
33 H GLU 5 HN GLU 5 -22.133 2.060 -1.681
34 HA GLU 5 HA GLU 5 -20.427 4.235 -1.093
35 HB2 GLU 5 HB2 GLU 5 -22.444 2.838 0.675
36 HB3 GLU 5 HB1 GLU 5 -21.701 4.394 1.019
37 HG2 GLU 5 HG2 GLU 5 -23.487 3.765 -1.321
38 HG3 GLU 5 HG1 GLU 5 -23.945 4.658 0.128
39 H LEU 6 HN LEU 6 -20.566 0.913 0.029
40 HA LEU 6 HA LEU 6 -18.485 1.363 2.008
41 HB2 LEU 6 HB2 LEU 6 -20.438 -0.202 2.357
42 HB3 LEU 6 HB1 LEU 6 -19.714 -1.255 1.156
43 HG LEU 6 HG LEU 6 -17.929 -0.497 3.375
44 HD11 LEU 6 HD11 LEU 6 -19.987 -0.733 4.625
45 HD12 LEU 6 HD12 LEU 6 -18.947 -2.128 4.914
46 HD13 LEU 6 HD13 LEU 6 -20.327 -2.267 3.825
47 HD21 LEU 6 HD21 LEU 6 -17.223 -2.081 1.700
48 HD22 LEU 6 HD22 LEU 6 -18.647 -3.078 1.991
49 HD23 LEU 6 HD23 LEU 6 -17.414 -2.915 3.242
50 H GLY 7 HN GLY 7 -18.716 0.647 -1.275
51 HA2 GLY 7 HA2 GLY 7 -16.518 -1.115 -1.596
52 HA3 GLY 7 HA1 GLY 7 -17.227 -0.113 -2.851
53 H MET 8 HN MET 8 -16.765 2.418 -1.730
54 HA MET 8 HA MET 8 -14.051 2.800 -2.506
55 HB2 MET 8 HB2 MET 8 -16.000 4.725 -1.227
56 HB3 MET 8 HB1 MET 8 -14.462 5.172 -1.954
57 HG2 MET 8 HG2 MET 8 -16.788 3.916 -3.394
58 HG3 MET 8 HG1 MET 8 -16.344 5.621 -3.441
59 HE1 MET 8 HE1 MET 8 -15.411 4.362 -7.034
60 HE2 MET 8 HE2 MET 8 -16.264 5.599 -6.111
61 HE3 MET 8 HE3 MET 8 -16.798 3.920 -6.038
62 H ALA 9 HN ALA 9 -15.743 3.195 0.607
63 HA ALA 9 HA ALA 9 -13.516 3.952 2.116
64 HB1 ALA 9 HB1 ALA 9 -15.946 2.421 3.039
65 HB2 ALA 9 HB2 ALA 9 -15.821 4.175 2.906
66 HB3 ALA 9 HB3 ALA 9 -14.821 3.305 4.070
67 H PHE 10 HN PHE 10 -14.816 0.749 1.380
68 HA PHE 10 HA PHE 10 -12.994 -0.686 3.021
69 HB2 PHE 10 HB2 PHE 10 -15.002 -1.799 2.474
70 HB3 PHE 10 HB1 PHE 10 -14.823 -1.461 0.758
71 HD1 PHE 10 HD1 PHE 10 -14.688 -3.434 -0.373
72 HD2 PHE 10 HD2 PHE 10 -12.515 -3.006 3.262
73 HE1 PHE 10 HE1 PHE 10 -13.684 -5.655 -0.716
74 HE2 PHE 10 HE2 PHE 10 -11.510 -5.227 2.927
75 HZ PHE 10 HZ PHE 10 -12.094 -6.554 0.936
76 H TRP 11 HN TRP 11 -13.057 -0.003 -0.481
77 HA TRP 11 HA TRP 11 -10.711 -1.407 -1.112
78 HB2 TRP 11 HB2 TRP 11 -12.392 0.618 -2.442
79 HB3 TRP 11 HB1 TRP 11 -10.718 0.558 -2.985
80 HD1 TRP 11 HD1 TRP 11 -13.968 -0.985 -3.670
81 HE1 TRP 11 HE1 TRP 11 -13.694 -3.130 -5.066
82 HE3 TRP 11 HE3 TRP 11 -8.935 -1.674 -3.116
83 HZ2 TRP 11 HZ2 TRP 11 -11.617 -4.883 -5.830
84 HZ3 TRP 11 HZ3 TRP 11 -7.881 -3.608 -4.212
85 HH2 TRP 11 HH2 TRP 11 -9.196 -5.180 -5.540
86 H HIS 12 HN HIS 12 -11.224 1.934 -0.118
87 HA HIS 12 HA HIS 12 -8.541 2.769 -0.467
88 HB2 HIS 12 HB2 HIS 12 -10.798 3.882 1.204
89 HB3 HIS 12 HB1 HIS 12 -9.229 4.668 1.050
90 HD1 HIS 12 HD1 HIS 12 -10.790 3.051 -1.950
91 HD2 HIS 12 HD2 HIS 12 -10.341 6.833 -0.293
92 HE1 HIS 12 HE1 HIS 12 -11.492 4.697 -3.738
93 H ASP 13 HN ASP 13 -10.332 1.439 2.266
94 HA ASP 13 HA ASP 13 -8.296 1.815 4.193
95 HB2 ASP 13 HB2 ASP 13 -10.644 1.435 4.807
96 HB3 ASP 13 HB1 ASP 13 -10.549 -0.201 4.160
97 H LEU 14 HN LEU 14 -9.151 -0.935 2.111
98 HA LEU 14 HA LEU 14 -7.134 -2.637 3.201
99 HB2 LEU 14 HB2 LEU 14 -7.769 -4.236 1.618
100 HB3 LEU 14 HB1 LEU 14 -9.244 -3.392 2.029
101 HG LEU 14 HG LEU 14 -8.633 -1.975 -0.122
102 HD11 LEU 14 HD11 LEU 14 -7.586 -4.626 -1.001
103 HD12 LEU 14 HD12 LEU 14 -6.491 -3.458 -0.266
104 HD13 LEU 14 HD13 LEU 14 -7.376 -3.034 -1.733
105 HD21 LEU 14 HD21 LEU 14 -9.840 -4.738 -0.181
106 HD22 LEU 14 HD22 LEU 14 -10.050 -3.500 -1.418
107 HD23 LEU 14 HD23 LEU 14 -10.686 -3.240 0.206
108 H ALA 15 HN ALA 15 -7.276 -0.316 0.620
109 HA ALA 15 HA ALA 15 -4.915 -1.140 -0.725
110 HB1 ALA 15 HB1 ALA 15 -6.676 0.239 -1.771
111 HB2 ALA 15 HB2 ALA 15 -5.066 0.943 -1.924
112 HB3 ALA 15 HB3 ALA 15 -6.200 1.586 -0.736
113 H ALA 16 HN ALA 16 -5.554 1.063 1.940
114 HA ALA 16 HA ALA 16 -3.261 2.554 2.040
115 HB1 ALA 16 HB1 ALA 16 -5.219 2.745 3.572
116 HB2 ALA 16 HB2 ALA 16 -3.651 2.874 4.370
117 HB3 ALA 16 HB3 ALA 16 -4.576 1.378 4.480
118 HA PRO 17 HA PRO 17 -0.850 -0.868 4.443
119 HB2 PRO 17 HB2 PRO 17 -1.860 -3.388 4.475
120 HB3 PRO 17 HB1 PRO 17 -2.281 -2.180 5.705
121 HG2 PRO 17 HG2 PRO 17 -3.823 -3.029 3.300
122 HG3 PRO 17 HG1 PRO 17 -4.388 -2.730 4.957
123 HD2 PRO 17 HD2 PRO 17 -4.682 -0.912 2.983
124 HD3 PRO 17 HD1 PRO 17 -4.435 -0.453 4.678
125 H VAL 18 HN VAL 18 -2.624 -1.689 1.543
126 HA VAL 18 HA VAL 18 -0.763 -3.569 0.496
127 HB VAL 18 HB VAL 18 -2.862 -1.890 -0.887
128 HG11 VAL 18 HG11 VAL 18 -1.153 -2.527 -2.489
129 HG12 VAL 18 HG12 VAL 18 -2.630 -3.447 -2.772
130 HG13 VAL 18 HG13 VAL 18 -1.259 -4.207 -1.963
131 HG21 VAL 18 HG21 VAL 18 -3.530 -3.643 0.849
132 HG22 VAL 18 HG22 VAL 18 -2.964 -4.838 -0.319
133 HG23 VAL 18 HG23 VAL 18 -4.286 -3.748 -0.741
134 H ILE 19 HN ILE 19 -1.324 -0.121 -0.103
135 HA ILE 19 HA ILE 19 0.801 0.190 -1.958
136 HB ILE 19 HB ILE 19 -0.550 2.304 -0.274
137 HG12 ILE 19 HG12 ILE 19 -1.215 1.644 -3.131
138 HG13 ILE 19 HG11 ILE 19 -1.984 0.777 -1.805
139 HG21 ILE 19 HG21 ILE 19 0.149 3.819 -2.107
140 HG22 ILE 19 HG22 ILE 19 1.068 2.488 -2.811
141 HG23 ILE 19 HG23 ILE 19 1.507 3.120 -1.224
142 HD11 ILE 19 HD11 ILE 19 -2.898 2.835 -0.945
143 HD12 ILE 19 HD12 ILE 19 -3.339 2.638 -2.641
144 HD13 ILE 19 HD13 ILE 19 -2.055 3.759 -2.188
145 H ALA 20 HN ALA 20 0.489 0.606 1.525
146 HA ALA 20 HA ALA 20 3.008 1.841 1.943
147 HB1 ALA 20 HB1 ALA 20 2.657 1.360 4.292
148 HB2 ALA 20 HB2 ALA 20 1.370 0.222 3.894
149 HB3 ALA 20 HB3 ALA 20 1.156 1.942 3.570
150 H GLY 21 HN GLY 21 1.923 -1.503 1.814
151 HA2 GLY 21 HA2 GLY 21 4.300 -2.675 2.827
152 HA3 GLY 21 HA1 GLY 21 3.076 -3.491 1.863
153 H ILE 22 HN ILE 22 3.174 -2.050 -0.483
154 HA ILE 22 HA ILE 22 5.447 -3.184 -1.746
155 HB ILE 22 HB ILE 22 3.557 -1.095 -2.840
156 HG12 ILE 22 HG12 ILE 22 3.454 -4.095 -3.196
157 HG13 ILE 22 HG11 ILE 22 2.482 -3.222 -2.017
158 HG21 ILE 22 HG21 ILE 22 4.273 -1.906 -5.032
159 HG22 ILE 22 HG22 ILE 22 5.397 -3.022 -4.257
160 HG23 ILE 22 HG23 ILE 22 5.639 -1.282 -4.107
161 HD11 ILE 22 HD11 ILE 22 1.410 -1.981 -3.823
162 HD12 ILE 22 HD12 ILE 22 1.207 -3.722 -4.018
163 HD13 ILE 22 HD13 ILE 22 2.387 -2.856 -5.002
164 H LEU 23 HN LEU 23 4.632 0.054 -0.638
165 HA LEU 23 HA LEU 23 6.794 1.408 -1.848
166 HB2 LEU 23 HB2 LEU 23 4.895 2.642 -1.043
167 HB3 LEU 23 HB1 LEU 23 5.135 2.048 0.588
168 HG LEU 23 HG LEU 23 7.222 3.332 0.754
169 HD11 LEU 23 HD11 LEU 23 6.498 4.291 -2.010
170 HD12 LEU 23 HD12 LEU 23 7.915 3.343 -1.557
171 HD13 LEU 23 HD13 LEU 23 7.745 5.004 -0.988
172 HD21 LEU 23 HD21 LEU 23 5.135 4.340 1.498
173 HD22 LEU 23 HD22 LEU 23 4.847 4.967 -0.125
174 HD23 LEU 23 HD23 LEU 23 6.214 5.559 0.819
175 H ALA 24 HN ALA 24 6.412 -0.248 1.233
176 HA ALA 24 HA ALA 24 8.842 0.566 2.405
177 HB1 ALA 24 HB1 ALA 24 8.536 -1.350 3.907
178 HB2 ALA 24 HB2 ALA 24 7.254 -1.959 2.860
179 HB3 ALA 24 HB3 ALA 24 7.045 -0.428 3.711
180 H SER 25 HN SER 25 7.997 -2.137 0.303
181 HA SER 25 HA SER 25 10.419 -3.548 0.467
182 HB2 SER 25 HB2 SER 25 8.386 -4.520 -0.509
183 HB3 SER 25 HB1 SER 25 8.471 -3.375 -1.846
184 HG SER 25 HG SER 25 10.818 -4.627 -1.626
185 H MET 26 HN MET 26 9.411 -0.851 -1.563
186 HA MET 26 HA MET 26 11.673 -0.904 -3.273
187 HB2 MET 26 HB2 MET 26 9.785 1.358 -2.600
188 HB3 MET 26 HB1 MET 26 10.975 1.398 -3.894
189 HG2 MET 26 HG2 MET 26 9.828 -0.635 -4.846
190 HG3 MET 26 HG1 MET 26 8.544 -0.351 -3.672
191 HE1 MET 26 HE1 MET 26 7.072 1.897 -3.620
192 HE2 MET 26 HE2 MET 26 7.300 3.226 -4.757
193 HE3 MET 26 HE3 MET 26 8.553 2.854 -3.573
194 H ILE 27 HN ILE 27 10.969 0.711 -0.223
195 HA ILE 27 HA ILE 27 13.263 2.379 -0.205
196 HB ILE 27 HB ILE 27 11.637 1.356 2.129
197 HG12 ILE 27 HG12 ILE 27 11.491 3.993 0.649
198 HG13 ILE 27 HG11 ILE 27 10.357 2.663 0.442
199 HG21 ILE 27 HG21 ILE 27 12.586 3.269 3.351
200 HG22 ILE 27 HG22 ILE 27 13.613 3.631 1.964
201 HG23 ILE 27 HG23 ILE 27 13.826 2.120 2.848
202 HD11 ILE 27 HD11 ILE 27 9.424 4.351 1.890
203 HD12 ILE 27 HD12 ILE 27 10.818 4.236 2.964
204 HD13 ILE 27 HD13 ILE 27 9.716 2.869 2.800
205 H VAL 28 HN VAL 28 12.585 -0.825 1.153
206 HA VAL 28 HA VAL 28 15.059 -1.142 2.477
207 HB VAL 28 HB VAL 28 13.197 -3.268 1.401
208 HG11 VAL 28 HG11 VAL 28 15.443 -3.465 3.405
209 HG12 VAL 28 HG12 VAL 28 15.405 -4.185 1.796
210 HG13 VAL 28 HG13 VAL 28 14.289 -4.747 3.040
211 HG21 VAL 28 HG21 VAL 28 12.120 -1.774 3.006
212 HG22 VAL 28 HG22 VAL 28 13.423 -2.061 4.157
213 HG23 VAL 28 HG23 VAL 28 12.351 -3.381 3.692
214 H ASN 29 HN ASN 29 13.956 -2.020 -0.769
215 HA ASN 29 HA ASN 29 16.211 -3.462 -1.584
216 HB2 ASN 29 HB2 ASN 29 14.207 -1.828 -3.144
217 HB3 ASN 29 HB1 ASN 29 15.475 -2.773 -3.919
218 HD21 ASN 29 HD21 ASN 29 12.584 -3.047 -4.082
219 HD22 ASN 29 HD22 ASN 29 12.223 -4.655 -3.564
220 H TRP 30 HN TRP 30 15.475 -0.005 -1.801
221 HA TRP 30 HA TRP 30 17.796 0.756 -3.199
222 HB2 TRP 30 HB2 TRP 30 16.158 2.394 -3.217
223 HB3 TRP 30 HB1 TRP 30 15.775 2.178 -1.513
224 HD1 TRP 30 HD1 TRP 30 18.845 3.473 -3.530
225 HE1 TRP 30 HE1 TRP 30 19.775 5.531 -2.296
226 HE3 TRP 30 HE3 TRP 30 15.625 3.556 0.434
227 HZ2 TRP 30 HZ2 TRP 30 19.216 6.995 0.057
228 HZ3 TRP 30 HZ3 TRP 30 15.889 5.311 2.135
229 HH2 TRP 30 HH2 TRP 30 17.648 6.996 1.950
230 H LEU 31 HN LEU 31 17.073 0.656 0.274
231 HA LEU 31 HA LEU 31 19.525 1.692 1.162
232 HB2 LEU 31 HB2 LEU 31 17.421 -0.020 2.431
233 HB3 LEU 31 HB1 LEU 31 18.903 0.357 3.290
234 HG LEU 31 HG LEU 31 17.187 2.535 2.141
235 HD11 LEU 31 HD11 LEU 31 16.099 2.727 4.316
236 HD12 LEU 31 HD12 LEU 31 16.926 1.268 4.861
237 HD13 LEU 31 HD13 LEU 31 15.744 1.176 3.556
238 HD21 LEU 31 HD21 LEU 31 18.271 3.886 3.821
239 HD22 LEU 31 HD22 LEU 31 19.492 3.048 2.864
240 HD23 LEU 31 HD23 LEU 31 19.088 2.469 4.479
241 H ASN 32 HN ASN 32 18.545 -1.529 0.218
242 HA ASN 32 HA ASN 32 20.761 -2.920 1.307
243 HB2 ASN 32 HB2 ASN 32 18.887 -3.600 -0.965
244 HB3 ASN 32 HB1 ASN 32 20.114 -4.705 -0.352
245 HD21 ASN 32 HD21 ASN 32 17.228 -5.000 -0.403
246 HD22 ASN 32 HD22 ASN 32 16.734 -5.228 1.237
247 H LYS 33 HN LYS 33 20.431 -0.835 -1.362
248 HA LYS 33 HA LYS 33 22.690 -1.927 -2.820
249 HB2 LYS 33 HB2 LYS 33 20.780 -1.004 -4.057
250 HB3 LYS 33 HB1 LYS 33 21.044 0.564 -3.308
251 HG2 LYS 33 HG2 LYS 33 23.304 -0.643 -4.800
252 HG3 LYS 33 HG1 LYS 33 21.939 -0.022 -5.730
253 HD2 LYS 33 HD2 LYS 33 22.176 2.147 -4.576
254 HD3 LYS 33 HD1 LYS 33 23.581 1.516 -3.715
255 HE2 LYS 33 HE2 LYS 33 24.732 1.173 -5.846
256 HE3 LYS 33 HE1 LYS 33 23.326 1.793 -6.709
257 HZ1 LYS 33 HZ1 LYS 33 24.980 3.325 -4.774
258 HZ2 LYS 33 HZ2 LYS 33 23.634 3.922 -5.608
259 HZ3 LYS 33 HZ3 LYS 33 25.030 3.485 -6.458
260 H ARG 34 HN ARG 34 21.944 0.769 -0.696
261 HA ARG 34 HA ARG 34 24.636 1.849 -0.994
262 HB2 ARG 34 HB2 ARG 34 23.841 3.663 0.474
263 HB3 ARG 34 HB1 ARG 34 22.813 3.455 -0.935
264 HG2 ARG 34 HG2 ARG 34 21.139 2.343 0.377
265 HG3 ARG 34 HG1 ARG 34 22.196 2.335 1.791
266 HD2 ARG 34 HD2 ARG 34 21.126 4.798 0.414
267 HD3 ARG 34 HD1 ARG 34 20.497 4.109 1.909
268 HE ARG 34 HE ARG 34 23.264 4.638 2.156
269 HH11 ARG 34 HH11 ARG 34 20.168 6.238 2.052
270 HH12 ARG 34 HH12 ARG 34 20.693 7.591 2.998
271 HH21 ARG 34 HH21 ARG 34 23.959 6.415 3.401
272 HH22 ARG 34 HH22 ARG 34 22.847 7.692 3.762
273 H LYS 35 HN LYS 35 24.011 -0.776 0.286
274 HA LYS 35 HA LYS 35 24.273 -0.665 3.061
275 HB2 LYS 35 HB2 LYS 35 25.205 -2.997 2.828
276 HB3 LYS 35 HB1 LYS 35 23.644 -2.728 2.067
277 HG2 LYS 35 HG2 LYS 35 24.828 -2.435 -0.104
278 HG3 LYS 35 HG1 LYS 35 26.324 -2.896 0.708
279 HD2 LYS 35 HD2 LYS 35 23.838 -4.599 0.537
280 HD3 LYS 35 HD1 LYS 35 25.269 -4.784 -0.478
281 HE2 LYS 35 HE2 LYS 35 26.619 -5.237 1.516
282 HE3 LYS 35 HE1 LYS 35 25.185 -5.058 2.526
283 HZ1 LYS 35 HZ1 LYS 35 25.649 -7.377 2.104
284 HZ2 LYS 35 HZ2 LYS 35 25.595 -7.124 0.432
285 HZ3 LYS 35 HZ3 LYS 35 24.193 -6.942 1.360
Start of MODEL 9
1 H1 MET 1 HT1 MET 1 -26.167 1.414 -4.839
2 H2 MET 1 HT2 MET 1 -27.430 0.424 -4.304
3 H3 MET 1 HT3 MET 1 -26.633 0.068 -5.752
4 HA MET 1 HA MET 1 -25.922 -1.417 -4.005
5 HB2 MET 1 HB2 MET 1 -24.336 -0.766 -5.780
6 HB3 MET 1 HB1 MET 1 -23.799 0.589 -4.797
7 HG2 MET 1 HG2 MET 1 -22.256 -1.318 -4.723
8 HG3 MET 1 HG1 MET 1 -22.905 -0.902 -3.138
9 HE1 MET 1 HE1 MET 1 -23.186 -3.357 -6.193
10 HE2 MET 1 HE2 MET 1 -24.850 -2.811 -5.980
11 HE3 MET 1 HE3 MET 1 -24.418 -4.485 -5.627
12 H THR 2 HN THR 2 -24.942 -1.749 -1.985
13 HA THR 2 HA THR 2 -25.614 0.236 -0.025
14 HB THR 2 HB THR 2 -24.170 -1.661 1.339
15 HG1 THR 2 HG1 THR 2 -23.983 -2.849 -0.675
16 HG21 THR 2 HG21 THR 2 -27.095 -1.745 0.590
17 HG22 THR 2 HG22 THR 2 -26.392 -0.844 1.932
18 HG23 THR 2 HG23 THR 2 -26.356 -2.607 1.939
19 H PHE 3 HN PHE 3 -24.344 1.692 0.907
20 HA PHE 3 HA PHE 3 -21.753 2.232 -0.057
21 HB2 PHE 3 HB2 PHE 3 -23.516 3.771 1.138
22 HB3 PHE 3 HB1 PHE 3 -22.676 3.261 2.599
23 HD1 PHE 3 HD1 PHE 3 -21.897 4.543 -0.808
24 HD2 PHE 3 HD2 PHE 3 -20.933 4.558 3.334
25 HE1 PHE 3 HE1 PHE 3 -20.171 6.243 -1.222
26 HE2 PHE 3 HE2 PHE 3 -19.204 6.263 2.930
27 HZ PHE 3 HZ PHE 3 -18.821 7.109 0.649
28 H ALA 4 HN ALA 4 -22.933 0.476 2.746
29 HA ALA 4 HA ALA 4 -20.427 0.254 4.070
30 HB1 ALA 4 HB1 ALA 4 -22.882 -1.485 4.304
31 HB2 ALA 4 HB2 ALA 4 -22.531 -0.046 5.263
32 HB3 ALA 4 HB3 ALA 4 -21.513 -1.479 5.416
33 H GLU 5 HN GLU 5 -22.200 -1.839 1.825
34 HA GLU 5 HA GLU 5 -20.343 -3.975 1.903
35 HB2 GLU 5 HB2 GLU 5 -22.408 -3.188 -0.154
36 HB3 GLU 5 HB1 GLU 5 -21.448 -4.658 -0.260
37 HG2 GLU 5 HG2 GLU 5 -23.331 -3.949 1.979
38 HG3 GLU 5 HG1 GLU 5 -23.666 -5.077 0.665
39 H LEU 6 HN LEU 6 -20.560 -1.020 0.052
40 HA LEU 6 HA LEU 6 -18.375 -1.796 -1.703
41 HB2 LEU 6 HB2 LEU 6 -20.411 -0.394 -2.389
42 HB3 LEU 6 HB1 LEU 6 -19.650 0.923 -1.513
43 HG LEU 6 HG LEU 6 -17.930 -0.406 -3.506
44 HD11 LEU 6 HD11 LEU 6 -20.299 1.261 -4.344
45 HD12 LEU 6 HD12 LEU 6 -20.047 -0.447 -4.701
46 HD13 LEU 6 HD13 LEU 6 -18.968 0.765 -5.389
47 HD21 LEU 6 HD21 LEU 6 -17.156 1.536 -2.306
48 HD22 LEU 6 HD22 LEU 6 -18.577 2.454 -2.801
49 HD23 LEU 6 HD23 LEU 6 -17.384 1.960 -4.002
50 H GLY 7 HN GLY 7 -18.790 -0.387 1.335
51 HA2 GLY 7 HA2 GLY 7 -16.672 1.495 1.348
52 HA3 GLY 7 HA1 GLY 7 -17.391 0.746 2.764
53 H MET 8 HN MET 8 -16.811 -1.884 2.443
54 HA MET 8 HA MET 8 -14.085 -1.979 3.221
55 HB2 MET 8 HB2 MET 8 -16.002 -4.217 2.543
56 HB3 MET 8 HB1 MET 8 -14.439 -4.429 3.321
57 HG2 MET 8 HG2 MET 8 -16.675 -2.775 4.464
58 HG3 MET 8 HG1 MET 8 -16.392 -4.467 4.865
59 HE1 MET 8 HE1 MET 8 -16.281 -3.900 7.414
60 HE2 MET 8 HE2 MET 8 -16.544 -2.184 7.107
61 HE3 MET 8 HE3 MET 8 -15.202 -2.701 8.127
62 H ALA 9 HN ALA 9 -15.799 -3.038 0.299
63 HA ALA 9 HA ALA 9 -13.608 -4.217 -0.999
64 HB1 ALA 9 HB1 ALA 9 -14.922 -4.017 -3.037
65 HB2 ALA 9 HB2 ALA 9 -16.005 -2.873 -2.244
66 HB3 ALA 9 HB3 ALA 9 -15.936 -4.548 -1.695
67 H PHE 10 HN PHE 10 -14.880 -0.914 -1.126
68 HA PHE 10 HA PHE 10 -12.995 0.039 -3.021
69 HB2 PHE 10 HB2 PHE 10 -14.993 1.273 -2.852
70 HB3 PHE 10 HB1 PHE 10 -14.887 1.375 -1.100
71 HD1 PHE 10 HD1 PHE 10 -12.519 2.243 -3.861
72 HD2 PHE 10 HD2 PHE 10 -14.697 3.545 -0.444
73 HE1 PHE 10 HE1 PHE 10 -11.478 4.463 -4.049
74 HE2 PHE 10 HE2 PHE 10 -13.656 5.768 -0.623
75 HZ PHE 10 HZ PHE 10 -12.044 6.229 -2.427
76 H TRP 11 HN TRP 11 -13.161 0.282 0.532
77 HA TRP 11 HA TRP 11 -10.839 1.815 0.862
78 HB2 TRP 11 HB2 TRP 11 -12.510 0.109 2.612
79 HB3 TRP 11 HB1 TRP 11 -10.868 0.417 3.164
80 HD1 TRP 11 HD1 TRP 11 -14.229 1.874 3.325
81 HE1 TRP 11 HE1 TRP 11 -14.136 4.318 4.124
82 HE3 TRP 11 HE3 TRP 11 -9.217 2.718 2.773
83 HZ2 TRP 11 HZ2 TRP 11 -12.193 6.338 4.475
84 HZ3 TRP 11 HZ3 TRP 11 -8.322 4.932 3.364
85 HH2 TRP 11 HH2 TRP 11 -9.781 6.704 4.195
86 H HIS 12 HN HIS 12 -11.292 -1.684 0.704
87 HA HIS 12 HA HIS 12 -8.604 -2.350 1.304
88 HB2 HIS 12 HB2 HIS 12 -10.847 -3.860 -0.028
89 HB3 HIS 12 HB1 HIS 12 -9.248 -4.565 0.190
90 HD1 HIS 12 HD1 HIS 12 -10.870 -2.422 2.839
91 HD2 HIS 12 HD2 HIS 12 -10.041 -6.418 2.056
92 HE1 HIS 12 HE1 HIS 12 -11.362 -3.681 4.977
93 H ASP 13 HN ASP 13 -10.346 -1.787 -1.717
94 HA ASP 13 HA ASP 13 -8.255 -2.581 -3.443
95 HB2 ASP 13 HB2 ASP 13 -10.590 -2.396 -4.189
96 HB3 ASP 13 HB1 ASP 13 -10.524 -0.651 -3.965
97 H LEU 14 HN LEU 14 -9.182 0.587 -2.119
98 HA LEU 14 HA LEU 14 -7.141 1.990 -3.542
99 HB2 LEU 14 HB2 LEU 14 -7.837 3.919 -2.446
100 HB3 LEU 14 HB1 LEU 14 -9.296 2.973 -2.613
101 HG LEU 14 HG LEU 14 -8.653 2.188 -0.165
102 HD11 LEU 14 HD11 LEU 14 -7.478 4.959 -0.301
103 HD12 LEU 14 HD12 LEU 14 -6.531 3.477 -0.200
104 HD13 LEU 14 HD13 LEU 14 -7.608 3.926 1.123
105 HD21 LEU 14 HD21 LEU 14 -9.949 4.806 -0.909
106 HD22 LEU 14 HD22 LEU 14 -10.063 4.050 0.679
107 HD23 LEU 14 HD23 LEU 14 -10.739 3.239 -0.732
108 H ALA 15 HN ALA 15 -7.354 0.363 -0.486
109 HA ALA 15 HA ALA 15 -5.036 1.497 0.691
110 HB1 ALA 15 HB1 ALA 15 -6.290 -1.176 1.294
111 HB2 ALA 15 HB2 ALA 15 -6.819 0.363 1.975
112 HB3 ALA 15 HB3 ALA 15 -5.204 -0.252 2.335
113 H ALA 16 HN ALA 16 -5.583 -1.254 -1.425
114 HA ALA 16 HA ALA 16 -3.276 -2.698 -1.115
115 HB1 ALA 16 HB1 ALA 16 -5.215 -3.237 -2.616
116 HB2 ALA 16 HB2 ALA 16 -3.620 -3.591 -3.280
117 HB3 ALA 16 HB3 ALA 16 -4.497 -2.158 -3.811
118 HA PRO 17 HA PRO 17 -0.831 0.101 -4.186
119 HB2 PRO 17 HB2 PRO 17 -1.871 2.526 -4.847
120 HB3 PRO 17 HB1 PRO 17 -2.208 1.053 -5.776
121 HG2 PRO 17 HG2 PRO 17 -3.889 2.412 -3.731
122 HG3 PRO 17 HG1 PRO 17 -4.360 1.682 -5.279
123 HD2 PRO 17 HD2 PRO 17 -4.710 0.423 -2.909
124 HD3 PRO 17 HD1 PRO 17 -4.399 -0.442 -4.424
125 H VAL 18 HN VAL 18 -2.700 1.566 -1.614
126 HA VAL 18 HA VAL 18 -0.897 3.675 -1.000
127 HB VAL 18 HB VAL 18 -2.988 2.307 0.703
128 HG11 VAL 18 HG11 VAL 18 -1.306 3.321 2.139
129 HG12 VAL 18 HG12 VAL 18 -2.812 4.236 2.204
130 HG13 VAL 18 HG13 VAL 18 -1.452 4.843 1.259
131 HG21 VAL 18 HG21 VAL 18 -4.415 4.117 0.163
132 HG22 VAL 18 HG22 VAL 18 -3.701 3.590 -1.361
133 HG23 VAL 18 HG23 VAL 18 -3.095 5.037 -0.558
134 H ILE 19 HN ILE 19 -1.408 0.458 0.397
135 HA ILE 19 HA ILE 19 0.698 0.640 2.290
136 HB ILE 19 HB ILE 19 -0.585 -1.847 1.154
137 HG12 ILE 19 HG12 ILE 19 -1.346 -0.522 3.742
138 HG13 ILE 19 HG11 ILE 19 -2.083 -0.015 2.226
139 HG21 ILE 19 HG21 ILE 19 1.491 -2.289 2.345
140 HG22 ILE 19 HG22 ILE 19 0.106 -2.882 3.262
141 HG23 ILE 19 HG23 ILE 19 0.900 -1.381 3.736
142 HD11 ILE 19 HD11 ILE 19 -3.450 -1.641 3.435
143 HD12 ILE 19 HD12 ILE 19 -2.136 -2.813 3.331
144 HD13 ILE 19 HD13 ILE 19 -2.933 -2.248 1.862
145 H ALA 20 HN ALA 20 0.414 -0.821 -0.927
146 HA ALA 20 HA ALA 20 2.970 -1.995 -1.011
147 HB1 ALA 20 HB1 ALA 20 2.632 -2.141 -3.417
148 HB2 ALA 20 HB2 ALA 20 1.290 -1.002 -3.312
149 HB3 ALA 20 HB3 ALA 20 1.160 -2.591 -2.556
150 H GLY 21 HN GLY 21 1.812 1.231 -1.832
151 HA2 GLY 21 HA2 GLY 21 4.126 2.167 -3.137
152 HA3 GLY 21 HA1 GLY 21 2.929 3.174 -2.334
153 H ILE 22 HN ILE 22 3.169 2.300 0.278
154 HA ILE 22 HA ILE 22 5.451 3.743 1.144
155 HB ILE 22 HB ILE 22 3.681 1.897 2.756
156 HG12 ILE 22 HG12 ILE 22 3.488 4.901 2.495
157 HG13 ILE 22 HG11 ILE 22 2.532 3.792 1.518
158 HG21 ILE 22 HG21 ILE 22 4.453 3.217 4.679
159 HG22 ILE 22 HG22 ILE 22 5.538 4.114 3.617
160 HG23 ILE 22 HG23 ILE 22 5.785 2.386 3.873
161 HD11 ILE 22 HD11 ILE 22 1.260 4.628 3.406
162 HD12 ILE 22 HD12 ILE 22 2.475 4.000 4.520
163 HD13 ILE 22 HD13 ILE 22 1.514 2.889 3.542
164 H LEU 23 HN LEU 23 4.685 0.311 0.896
165 HA LEU 23 HA LEU 23 6.954 -0.684 2.234
166 HB2 LEU 23 HB2 LEU 23 5.059 -2.108 1.827
167 HB3 LEU 23 HB1 LEU 23 5.203 -1.889 0.095
168 HG LEU 23 HG LEU 23 7.310 -3.140 0.097
169 HD11 LEU 23 HD11 LEU 23 8.117 -2.589 2.312
170 HD12 LEU 23 HD12 LEU 23 8.015 -4.339 2.125
171 HD13 LEU 23 HD13 LEU 23 6.782 -3.477 3.046
172 HD21 LEU 23 HD21 LEU 23 6.383 -5.331 0.540
173 HD22 LEU 23 HD22 LEU 23 5.166 -4.307 -0.221
174 HD23 LEU 23 HD23 LEU 23 5.097 -4.618 1.513
175 H ALA 24 HN ALA 24 6.389 0.319 -1.077
176 HA ALA 24 HA ALA 24 8.716 -0.729 -2.247
177 HB1 ALA 24 HB1 ALA 24 8.351 0.919 -4.019
178 HB2 ALA 24 HB2 ALA 24 7.179 1.756 -3.000
179 HB3 ALA 24 HB3 ALA 24 6.845 0.119 -3.566
180 H SER 25 HN SER 25 8.070 2.381 -0.681
181 HA SER 25 HA SER 25 10.549 3.587 -1.165
182 HB2 SER 25 HB2 SER 25 8.628 4.854 -0.332
183 HB3 SER 25 HB1 SER 25 8.674 3.957 1.185
184 HG SER 25 HG SER 25 10.843 5.508 0.225
185 H MET 26 HN MET 26 9.492 1.325 1.295
186 HA MET 26 HA MET 26 11.754 1.540 2.983
187 HB2 MET 26 HB2 MET 26 9.836 -0.766 2.588
188 HB3 MET 26 HB1 MET 26 10.988 -0.623 3.909
189 HG2 MET 26 HG2 MET 26 9.858 1.332 4.741
190 HG3 MET 26 HG1 MET 26 8.763 1.326 3.361
191 HE1 MET 26 HE1 MET 26 8.809 -2.024 6.538
192 HE2 MET 26 HE2 MET 26 9.921 -0.655 6.562
193 HE3 MET 26 HE3 MET 26 10.030 -1.858 5.277
194 H ILE 27 HN ILE 27 10.930 -0.620 0.304
195 HA ILE 27 HA ILE 27 13.202 -2.271 0.456
196 HB ILE 27 HB ILE 27 11.514 -1.571 -1.951
197 HG12 ILE 27 HG12 ILE 27 11.431 -3.987 -0.130
198 HG13 ILE 27 HG11 ILE 27 10.306 -2.635 -0.052
199 HG21 ILE 27 HG21 ILE 27 12.421 -3.633 -2.941
200 HG22 ILE 27 HG22 ILE 27 13.505 -3.804 -1.561
201 HG23 ILE 27 HG23 ILE 27 13.674 -2.427 -2.650
202 HD11 ILE 27 HD11 ILE 27 9.510 -3.148 -2.285
203 HD12 ILE 27 HD12 ILE 27 9.360 -4.551 -1.226
204 HD13 ILE 27 HD13 ILE 27 10.667 -4.472 -2.407
205 H VAL 28 HN VAL 28 12.567 0.698 -1.381
206 HA VAL 28 HA VAL 28 15.023 0.739 -2.773
207 HB VAL 28 HB VAL 28 13.238 3.061 -2.023
208 HG11 VAL 28 HG11 VAL 28 15.434 2.856 -4.083
209 HG12 VAL 28 HG12 VAL 28 15.459 3.834 -2.616
210 HG13 VAL 28 HG13 VAL 28 14.324 4.215 -3.912
211 HG21 VAL 28 HG21 VAL 28 12.331 2.819 -4.280
212 HG22 VAL 28 HG22 VAL 28 12.080 1.354 -3.332
213 HG23 VAL 28 HG23 VAL 28 13.358 1.411 -4.546
214 H ASN 29 HN ASN 29 14.002 2.164 0.304
215 HA ASN 29 HA ASN 29 16.328 3.644 0.825
216 HB2 ASN 29 HB2 ASN 29 14.290 2.399 2.674
217 HB3 ASN 29 HB1 ASN 29 15.605 3.416 3.251
218 HD21 ASN 29 HD21 ASN 29 12.729 3.829 3.394
219 HD22 ASN 29 HD22 ASN 29 12.418 5.331 2.600
220 H TRP 30 HN TRP 30 15.523 0.277 1.353
221 HA TRP 30 HA TRP 30 17.777 -0.363 2.959
222 HB2 TRP 30 HB2 TRP 30 16.044 -1.897 3.168
223 HB3 TRP 30 HB1 TRP 30 15.728 -1.932 1.438
224 HD1 TRP 30 HD1 TRP 30 18.718 -2.987 3.706
225 HE1 TRP 30 HE1 TRP 30 19.572 -5.261 2.851
226 HE3 TRP 30 HE3 TRP 30 15.506 -3.639 -0.218
227 HZ2 TRP 30 HZ2 TRP 30 18.964 -7.087 0.785
228 HZ3 TRP 30 HZ3 TRP 30 15.707 -5.675 -1.584
229 HH2 TRP 30 HH2 TRP 30 17.402 -7.362 -1.092
230 H LEU 31 HN LEU 31 17.080 -0.799 -0.504
231 HA LEU 31 HA LEU 31 19.533 -1.993 -1.175
232 HB2 LEU 31 HB2 LEU 31 17.379 -0.607 -2.693
233 HB3 LEU 31 HB1 LEU 31 18.906 -0.909 -3.502
234 HG LEU 31 HG LEU 31 17.298 -3.083 -2.170
235 HD11 LEU 31 HD11 LEU 31 15.955 -2.098 -3.934
236 HD12 LEU 31 HD12 LEU 31 16.545 -3.686 -4.424
237 HD13 LEU 31 HD13 LEU 31 17.307 -2.228 -5.059
238 HD21 LEU 31 HD21 LEU 31 18.676 -4.561 -3.519
239 HD22 LEU 31 HD22 LEU 31 19.687 -3.536 -2.500
240 HD23 LEU 31 HD23 LEU 31 19.511 -3.173 -4.216
241 H ASN 32 HN ASN 32 18.573 1.360 -0.857
242 HA ASN 32 HA ASN 32 20.843 2.486 -2.132
243 HB2 ASN 32 HB2 ASN 32 18.803 3.575 -0.204
244 HB3 ASN 32 HB1 ASN 32 20.163 4.550 -0.753
245 HD21 ASN 32 HD21 ASN 32 18.593 2.164 -2.763
246 HD22 ASN 32 HD22 ASN 32 17.869 3.284 -3.860
247 H LYS 33 HN LYS 33 20.468 0.879 0.805
248 HA LYS 33 HA LYS 33 22.679 2.250 2.120
249 HB2 LYS 33 HB2 LYS 33 20.762 1.668 3.499
250 HB3 LYS 33 HB1 LYS 33 20.899 -0.020 3.029
251 HG2 LYS 33 HG2 LYS 33 23.268 1.217 4.300
252 HG3 LYS 33 HG1 LYS 33 21.859 0.924 5.322
253 HD2 LYS 33 HD2 LYS 33 21.861 -1.428 4.663
254 HD3 LYS 33 HD1 LYS 33 23.248 -1.141 3.610
255 HE2 LYS 33 HE2 LYS 33 23.193 -0.801 6.608
256 HE3 LYS 33 HE1 LYS 33 23.934 -2.138 5.731
257 HZ1 LYS 33 HZ1 LYS 33 25.579 -0.501 6.377
258 HZ2 LYS 33 HZ2 LYS 33 24.744 0.713 5.549
259 HZ3 LYS 33 HZ3 LYS 33 25.449 -0.562 4.691
260 H ARG 34 HN ARG 34 21.870 -0.952 0.830
261 HA ARG 34 HA ARG 34 24.512 -1.976 1.385
262 HB2 ARG 34 HB2 ARG 34 23.714 -4.021 0.274
263 HB3 ARG 34 HB1 ARG 34 22.605 -3.480 1.527
264 HG2 ARG 34 HG2 ARG 34 21.090 -2.599 -0.112
265 HG3 ARG 34 HG1 ARG 34 22.236 -2.936 -1.411
266 HD2 ARG 34 HD2 ARG 34 20.944 -5.005 0.364
267 HD3 ARG 34 HD1 ARG 34 20.442 -4.617 -1.280
268 HE ARG 34 HE ARG 34 23.199 -5.331 -1.148
269 HH11 ARG 34 HH11 ARG 34 19.968 -6.639 -1.211
270 HH12 ARG 34 HH12 ARG 34 20.459 -8.158 -1.884
271 HH21 ARG 34 HH21 ARG 34 23.852 -7.326 -2.034
272 HH22 ARG 34 HH22 ARG 34 22.667 -8.549 -2.349
273 H LYS 35 HN LYS 35 24.112 0.356 -0.441
274 HA LYS 35 HA LYS 35 24.539 -0.335 -3.109
275 HB2 LYS 35 HB2 LYS 35 25.597 1.955 -3.275
276 HB3 LYS 35 HB1 LYS 35 23.969 1.913 -2.616
277 HG2 LYS 35 HG2 LYS 35 24.986 1.999 -0.329
278 HG3 LYS 35 HG1 LYS 35 26.547 2.270 -1.106
279 HD2 LYS 35 HD2 LYS 35 25.595 4.270 -2.217
280 HD3 LYS 35 HD1 LYS 35 24.096 4.017 -1.319
281 HE2 LYS 35 HE2 LYS 35 26.821 4.577 -0.152
282 HE3 LYS 35 HE1 LYS 35 25.457 5.693 -0.219
283 HZ1 LYS 35 HZ1 LYS 35 24.211 4.143 1.195
284 HZ2 LYS 35 HZ2 LYS 35 25.607 4.718 1.956
285 HZ3 LYS 35 HZ3 LYS 35 25.578 3.153 1.314
Start of MODEL 10
1 H1 MET 1 HT1 MET 1 -27.360 2.265 -3.186
2 H2 MET 1 HT2 MET 1 -27.985 0.694 -3.178
3 H3 MET 1 HT3 MET 1 -27.337 1.337 -4.601
4 HA MET 1 HA MET 1 -25.809 -0.223 -3.604
5 HB2 MET 1 HB2 MET 1 -24.919 1.688 -4.864
6 HB3 MET 1 HB1 MET 1 -24.909 2.658 -3.399
7 HG2 MET 1 HG2 MET 1 -22.686 1.831 -3.966
8 HG3 MET 1 HG1 MET 1 -23.240 1.213 -2.411
9 HE1 MET 1 HE1 MET 1 -24.266 0.050 -6.041
10 HE2 MET 1 HE2 MET 1 -23.115 -1.260 -6.305
11 HE3 MET 1 HE3 MET 1 -22.544 0.403 -6.172
12 H THR 2 HN THR 2 -24.451 -0.816 -1.864
13 HA THR 2 HA THR 2 -25.433 0.128 0.742
14 HB THR 2 HB THR 2 -23.974 -2.108 1.318
15 HG1 THR 2 HG1 THR 2 -25.231 -3.430 -0.545
16 HG21 THR 2 HG21 THR 2 -26.893 -2.017 0.546
17 HG22 THR 2 HG22 THR 2 -26.232 -1.587 2.123
18 HG23 THR 2 HG23 THR 2 -26.123 -3.249 1.545
19 H PHE 3 HN PHE 3 -24.139 1.161 2.097
20 HA PHE 3 HA PHE 3 -21.579 2.037 1.330
21 HB2 PHE 3 HB2 PHE 3 -23.296 3.048 3.019
22 HB3 PHE 3 HB1 PHE 3 -22.470 2.028 4.194
23 HD1 PHE 3 HD1 PHE 3 -21.543 4.339 1.426
24 HD2 PHE 3 HD2 PHE 3 -20.839 3.064 5.421
25 HE1 PHE 3 HE1 PHE 3 -19.796 6.058 1.660
26 HE2 PHE 3 HE2 PHE 3 -19.091 4.780 5.667
27 HZ PHE 3 HZ PHE 3 -18.568 6.280 3.784
28 H ALA 4 HN ALA 4 -22.663 -0.599 3.396
29 HA ALA 4 HA ALA 4 -20.107 -1.235 4.458
30 HB1 ALA 4 HB1 ALA 4 -22.174 -1.950 5.545
31 HB2 ALA 4 HB2 ALA 4 -21.138 -3.329 5.178
32 HB3 ALA 4 HB3 ALA 4 -22.544 -2.990 4.169
33 H GLU 5 HN GLU 5 -21.971 -2.447 1.704
34 HA GLU 5 HA GLU 5 -20.104 -4.448 0.960
35 HB2 GLU 5 HB2 GLU 5 -22.270 -3.060 -0.620
36 HB3 GLU 5 HB1 GLU 5 -21.336 -4.421 -1.224
37 HG2 GLU 5 HG2 GLU 5 -23.146 -4.434 1.181
38 HG3 GLU 5 HG1 GLU 5 -23.495 -5.144 -0.395
39 H LEU 6 HN LEU 6 -20.496 -1.055 0.150
40 HA LEU 6 HA LEU 6 -18.419 -1.146 -1.872
41 HB2 LEU 6 HB2 LEU 6 -20.535 0.366 -1.819
42 HB3 LEU 6 HB1 LEU 6 -19.596 1.362 -0.723
43 HG LEU 6 HG LEU 6 -18.323 0.640 -3.309
44 HD11 LEU 6 HD11 LEU 6 -20.512 2.701 -3.077
45 HD12 LEU 6 HD12 LEU 6 -20.608 1.189 -3.981
46 HD13 LEU 6 HD13 LEU 6 -19.472 2.444 -4.478
47 HD21 LEU 6 HD21 LEU 6 -18.385 3.025 -1.479
48 HD22 LEU 6 HD22 LEU 6 -17.662 3.083 -3.085
49 HD23 LEU 6 HD23 LEU 6 -17.021 1.979 -1.871
50 H GLY 7 HN GLY 7 -18.606 -0.821 1.489
51 HA2 GLY 7 HA2 GLY 7 -16.465 0.987 1.943
52 HA3 GLY 7 HA1 GLY 7 -17.101 -0.169 3.102
53 H MET 8 HN MET 8 -16.563 -2.570 2.139
54 HA MET 8 HA MET 8 -13.797 -2.864 2.590
55 HB2 MET 8 HB2 MET 8 -15.784 -4.827 1.429
56 HB3 MET 8 HB1 MET 8 -14.175 -5.240 2.006
57 HG2 MET 8 HG2 MET 8 -16.359 -4.051 3.699
58 HG3 MET 8 HG1 MET 8 -15.958 -5.766 3.620
59 HE1 MET 8 HE1 MET 8 -14.613 -4.853 7.154
60 HE2 MET 8 HE2 MET 8 -15.623 -5.947 6.207
61 HE3 MET 8 HE3 MET 8 -16.082 -4.254 6.384
62 H ALA 9 HN ALA 9 -15.728 -3.096 -0.386
63 HA ALA 9 HA ALA 9 -13.645 -3.835 -2.105
64 HB1 ALA 9 HB1 ALA 9 -16.098 -2.213 -2.777
65 HB2 ALA 9 HB2 ALA 9 -16.023 -3.974 -2.700
66 HB3 ALA 9 HB3 ALA 9 -15.087 -3.104 -3.916
67 H PHE 10 HN PHE 10 -14.879 -0.608 -1.263
68 HA PHE 10 HA PHE 10 -13.077 0.787 -2.957
69 HB2 PHE 10 HB2 PHE 10 -15.044 1.947 -2.364
70 HB3 PHE 10 HB1 PHE 10 -14.820 1.623 -0.650
71 HD1 PHE 10 HD1 PHE 10 -14.509 3.563 0.502
72 HD2 PHE 10 HD2 PHE 10 -12.631 3.114 -3.291
73 HE1 PHE 10 HE1 PHE 10 -13.422 5.751 0.787
74 HE2 PHE 10 HE2 PHE 10 -11.542 5.303 -3.016
75 HZ PHE 10 HZ PHE 10 -11.936 6.625 -0.975
76 H TRP 11 HN TRP 11 -13.043 0.075 0.530
77 HA TRP 11 HA TRP 11 -10.685 1.472 1.117
78 HB2 TRP 11 HB2 TRP 11 -12.265 -0.658 2.457
79 HB3 TRP 11 HB1 TRP 11 -10.619 -0.394 3.017
80 HD1 TRP 11 HD1 TRP 11 -14.060 0.874 3.489
81 HE1 TRP 11 HE1 TRP 11 -14.043 3.039 4.876
82 HE3 TRP 11 HE3 TRP 11 -9.065 1.932 3.273
83 HZ2 TRP 11 HZ2 TRP 11 -12.158 4.944 5.766
84 HZ3 TRP 11 HZ3 TRP 11 -8.236 3.944 4.421
85 HH2 TRP 11 HH2 TRP 11 -9.752 5.419 5.639
86 H HIS 12 HN HIS 12 -11.212 -1.848 0.049
87 HA HIS 12 HA HIS 12 -8.515 -2.680 0.329
88 HB2 HIS 12 HB2 HIS 12 -10.831 -3.745 -1.282
89 HB3 HIS 12 HB1 HIS 12 -9.239 -4.495 -1.323
90 HD1 HIS 12 HD1 HIS 12 -10.518 -3.162 1.932
91 HD2 HIS 12 HD2 HIS 12 -10.235 -6.786 -0.080
92 HE1 HIS 12 HE1 HIS 12 -11.028 -4.960 3.635
93 H ASP 13 HN ASP 13 -10.371 -1.294 -2.328
94 HA ASP 13 HA ASP 13 -8.380 -1.583 -4.311
95 HB2 ASP 13 HB2 ASP 13 -10.783 -1.195 -4.793
96 HB3 ASP 13 HB1 ASP 13 -10.616 0.448 -4.183
97 H LEU 14 HN LEU 14 -9.211 1.094 -2.127
98 HA LEU 14 HA LEU 14 -7.235 2.847 -3.207
99 HB2 LEU 14 HB2 LEU 14 -7.834 4.381 -1.538
100 HB3 LEU 14 HB1 LEU 14 -9.314 3.560 -1.978
101 HG LEU 14 HG LEU 14 -8.700 2.049 0.100
102 HD11 LEU 14 HD11 LEU 14 -7.578 3.237 1.844
103 HD12 LEU 14 HD12 LEU 14 -7.445 4.682 0.842
104 HD13 LEU 14 HD13 LEU 14 -6.531 3.234 0.424
105 HD21 LEU 14 HD21 LEU 14 -9.850 4.827 0.343
106 HD22 LEU 14 HD22 LEU 14 -10.110 3.491 1.464
107 HD23 LEU 14 HD23 LEU 14 -10.732 3.393 -0.182
108 H ALA 15 HN ALA 15 -7.296 0.440 -0.709
109 HA ALA 15 HA ALA 15 -4.914 1.226 0.615
110 HB1 ALA 15 HB1 ALA 15 -6.625 -0.236 1.627
111 HB2 ALA 15 HB2 ALA 15 -5.002 -0.925 1.700
112 HB3 ALA 15 HB3 ALA 15 -6.159 -1.516 0.506
113 H ALA 16 HN ALA 16 -5.587 -0.832 -2.149
114 HA ALA 16 HA ALA 16 -3.278 -2.282 -2.392
115 HB1 ALA 16 HB1 ALA 16 -5.230 -2.485 -3.878
116 HB2 ALA 16 HB2 ALA 16 -3.707 -2.409 -4.765
117 HB3 ALA 16 HB3 ALA 16 -4.753 -0.992 -4.685
118 HA PRO 17 HA PRO 17 -0.962 1.302 -4.647
119 HB2 PRO 17 HB2 PRO 17 -2.013 3.806 -4.521
120 HB3 PRO 17 HB1 PRO 17 -2.418 2.664 -5.818
121 HG2 PRO 17 HG2 PRO 17 -3.961 3.348 -3.364
122 HG3 PRO 17 HG1 PRO 17 -4.530 3.125 -5.031
123 HD2 PRO 17 HD2 PRO 17 -4.778 1.201 -3.152
124 HD3 PRO 17 HD1 PRO 17 -4.532 0.834 -4.869
125 H VAL 18 HN VAL 18 -2.690 1.931 -1.672
126 HA VAL 18 HA VAL 18 -0.845 3.791 -0.562
127 HB VAL 18 HB VAL 18 -2.879 1.995 0.774
128 HG11 VAL 18 HG11 VAL 18 -1.162 2.583 2.378
129 HG12 VAL 18 HG12 VAL 18 -2.643 3.475 2.727
130 HG13 VAL 18 HG13 VAL 18 -1.293 4.284 1.931
131 HG21 VAL 18 HG21 VAL 18 -3.051 4.965 0.339
132 HG22 VAL 18 HG22 VAL 18 -4.340 3.841 0.775
133 HG23 VAL 18 HG23 VAL 18 -3.646 3.803 -0.846
134 H ILE 19 HN ILE 19 -1.307 0.302 -0.185
135 HA ILE 19 HA ILE 19 0.841 -0.077 1.635
136 HB ILE 19 HB ILE 19 -0.482 -2.109 -0.168
137 HG12 ILE 19 HG12 ILE 19 -1.143 -1.614 2.726
138 HG13 ILE 19 HG11 ILE 19 -1.948 -0.716 1.443
139 HG21 ILE 19 HG21 ILE 19 1.122 -2.435 2.364
140 HG22 ILE 19 HG22 ILE 19 1.612 -2.916 0.739
141 HG23 ILE 19 HG23 ILE 19 0.262 -3.730 1.531
142 HD11 ILE 19 HD11 ILE 19 -1.930 -3.711 1.718
143 HD12 ILE 19 HD12 ILE 19 -2.792 -2.773 0.497
144 HD13 ILE 19 HD13 ILE 19 -3.249 -2.642 2.195
145 H ALA 20 HN ALA 20 0.501 -0.354 -1.867
146 HA ALA 20 HA ALA 20 3.053 -1.490 -2.352
147 HB1 ALA 20 HB1 ALA 20 1.405 0.154 -4.266
148 HB2 ALA 20 HB2 ALA 20 1.118 -1.553 -3.927
149 HB3 ALA 20 HB3 ALA 20 2.638 -1.044 -4.665
150 H GLY 21 HN GLY 21 1.886 1.817 -2.087
151 HA2 GLY 21 HA2 GLY 21 4.209 3.073 -3.137
152 HA3 GLY 21 HA1 GLY 21 2.984 3.838 -2.136
153 H ILE 22 HN ILE 22 3.165 2.375 0.187
154 HA ILE 22 HA ILE 22 5.443 3.538 1.417
155 HB ILE 22 HB ILE 22 3.585 1.421 2.515
156 HG12 ILE 22 HG12 ILE 22 3.493 4.427 2.858
157 HG13 ILE 22 HG11 ILE 22 2.451 3.516 1.770
158 HG21 ILE 22 HG21 ILE 22 5.658 1.552 3.768
159 HG22 ILE 22 HG22 ILE 22 4.335 2.236 4.712
160 HG23 ILE 22 HG23 ILE 22 5.488 3.302 3.908
161 HD11 ILE 22 HD11 ILE 22 2.549 3.233 4.764
162 HD12 ILE 22 HD12 ILE 22 1.499 2.329 3.673
163 HD13 ILE 22 HD13 ILE 22 1.308 4.074 3.836
164 H LEU 23 HN LEU 23 4.653 0.298 0.303
165 HA LEU 23 HA LEU 23 6.839 -1.048 1.471
166 HB2 LEU 23 HB2 LEU 23 4.940 -2.287 0.682
167 HB3 LEU 23 HB1 LEU 23 5.151 -1.675 -0.947
168 HG LEU 23 HG LEU 23 7.275 -2.933 -1.121
169 HD11 LEU 23 HD11 LEU 23 7.876 -3.013 1.229
170 HD12 LEU 23 HD12 LEU 23 7.784 -4.643 0.562
171 HD13 LEU 23 HD13 LEU 23 6.476 -4.028 1.572
172 HD21 LEU 23 HD21 LEU 23 6.263 -5.143 -1.314
173 HD22 LEU 23 HD22 LEU 23 5.185 -3.896 -1.942
174 HD23 LEU 23 HD23 LEU 23 4.884 -4.604 -0.355
175 H ALA 24 HN ALA 24 6.430 0.632 -1.595
176 HA ALA 24 HA ALA 24 8.812 -0.196 -2.831
177 HB1 ALA 24 HB1 ALA 24 7.347 2.415 -3.191
178 HB2 ALA 24 HB2 ALA 24 6.961 0.904 -4.015
179 HB3 ALA 24 HB3 ALA 24 8.506 1.701 -4.312
180 H SER 25 HN SER 25 8.113 2.594 -0.758
181 HA SER 25 HA SER 25 10.630 3.817 -0.951
182 HB2 SER 25 HB2 SER 25 8.622 3.893 1.314
183 HB3 SER 25 HB1 SER 25 9.997 4.986 1.145
184 HG SER 25 HG SER 25 7.857 5.691 0.299
185 H MET 26 HN MET 26 9.411 1.294 1.193
186 HA MET 26 HA MET 26 11.620 1.254 2.954
187 HB2 MET 26 HB2 MET 26 9.618 -0.896 2.250
188 HB3 MET 26 HB1 MET 26 10.803 -1.042 3.542
189 HG2 MET 26 HG2 MET 26 9.801 1.058 4.522
190 HG3 MET 26 HG1 MET 26 8.495 0.866 3.354
191 HE1 MET 26 HE1 MET 26 6.794 -1.183 3.347
192 HE2 MET 26 HE2 MET 26 6.958 -2.578 4.415
193 HE3 MET 26 HE3 MET 26 8.177 -2.265 3.179
194 H ILE 27 HN ILE 27 10.920 -0.514 -0.031
195 HA ILE 27 HA ILE 27 13.175 -2.221 0.087
196 HB ILE 27 HB ILE 27 11.639 -1.303 -2.349
197 HG12 ILE 27 HG12 ILE 27 11.336 -3.827 -0.704
198 HG13 ILE 27 HG11 ILE 27 10.266 -2.433 -0.598
199 HG21 ILE 27 HG21 ILE 27 12.541 -3.304 -3.426
200 HG22 ILE 27 HG22 ILE 27 13.476 -3.669 -1.977
201 HG23 ILE 27 HG23 ILE 27 13.833 -2.219 -2.914
202 HD11 ILE 27 HD11 ILE 27 9.648 -2.752 -2.948
203 HD12 ILE 27 HD12 ILE 27 9.281 -4.167 -1.961
204 HD13 ILE 27 HD13 ILE 27 10.693 -4.171 -3.017
205 H VAL 28 HN VAL 28 12.626 0.929 -1.453
206 HA VAL 28 HA VAL 28 15.151 1.070 -2.731
207 HB VAL 28 HB VAL 28 13.330 3.330 -1.885
208 HG11 VAL 28 HG11 VAL 28 15.608 4.099 -2.308
209 HG12 VAL 28 HG12 VAL 28 14.512 4.649 -3.576
210 HG13 VAL 28 HG13 VAL 28 15.598 3.292 -3.877
211 HG21 VAL 28 HG21 VAL 28 12.474 3.266 -4.143
212 HG22 VAL 28 HG22 VAL 28 12.286 1.677 -3.401
213 HG23 VAL 28 HG23 VAL 28 13.584 1.961 -4.561
214 H ASN 29 HN ASN 29 13.991 2.096 0.438
215 HA ASN 29 HA ASN 29 16.273 3.574 1.189
216 HB2 ASN 29 HB2 ASN 29 14.146 2.172 2.807
217 HB3 ASN 29 HB1 ASN 29 15.436 3.113 3.549
218 HD21 ASN 29 HD21 ASN 29 12.553 3.541 3.576
219 HD22 ASN 29 HD22 ASN 29 12.298 5.122 2.927
220 H TRP 30 HN TRP 30 15.426 0.168 1.489
221 HA TRP 30 HA TRP 30 17.674 -0.564 3.067
222 HB2 TRP 30 HB2 TRP 30 15.949 -2.108 3.209
223 HB3 TRP 30 HB1 TRP 30 15.610 -2.047 1.484
224 HD1 TRP 30 HD1 TRP 30 18.599 -3.245 3.675
225 HE1 TRP 30 HE1 TRP 30 19.452 -5.463 2.684
226 HE3 TRP 30 HE3 TRP 30 15.407 -3.635 -0.297
227 HZ2 TRP 30 HZ2 TRP 30 18.847 -7.155 0.499
228 HZ3 TRP 30 HZ3 TRP 30 15.609 -5.575 -1.791
229 HH2 TRP 30 HH2 TRP 30 17.295 -7.301 -1.400
230 H LEU 31 HN LEU 31 16.969 -0.813 -0.406
231 HA LEU 31 HA LEU 31 19.377 -2.018 -1.167
232 HB2 LEU 31 HB2 LEU 31 17.341 -0.368 -2.604
233 HB3 LEU 31 HB1 LEU 31 18.826 -0.830 -3.416
234 HG LEU 31 HG LEU 31 17.059 -2.881 -2.117
235 HD11 LEU 31 HD11 LEU 31 15.682 -1.608 -3.686
236 HD12 LEU 31 HD12 LEU 31 15.995 -3.240 -4.274
237 HD13 LEU 31 HD13 LEU 31 16.880 -1.874 -4.951
238 HD21 LEU 31 HD21 LEU 31 18.141 -4.368 -3.721
239 HD22 LEU 31 HD22 LEU 31 19.330 -3.548 -2.710
240 HD23 LEU 31 HD23 LEU 31 19.062 -3.010 -4.367
241 H ASN 32 HN ASN 32 18.507 1.367 -0.735
242 HA ASN 32 HA ASN 32 20.918 2.422 -1.815
243 HB2 ASN 32 HB2 ASN 32 18.768 3.576 -0.047
244 HB3 ASN 32 HB1 ASN 32 20.193 4.503 -0.500
245 HD21 ASN 32 HD21 ASN 32 18.689 2.167 -2.617
246 HD22 ASN 32 HD22 ASN 32 18.075 3.309 -3.757
247 H LYS 33 HN LYS 33 20.177 0.835 1.069
248 HA LYS 33 HA LYS 33 22.302 2.085 2.617
249 HB2 LYS 33 HB2 LYS 33 20.141 1.484 3.684
250 HB3 LYS 33 HB1 LYS 33 20.469 -0.209 3.347
251 HG2 LYS 33 HG2 LYS 33 22.476 1.345 4.895
252 HG3 LYS 33 HG1 LYS 33 20.984 0.847 5.693
253 HD2 LYS 33 HD2 LYS 33 21.435 -1.480 5.080
254 HD3 LYS 33 HD1 LYS 33 22.926 -0.981 4.279
255 HE2 LYS 33 HE2 LYS 33 23.766 -0.127 6.429
256 HE3 LYS 33 HE1 LYS 33 22.291 -0.691 7.213
257 HZ1 LYS 33 HZ1 LYS 33 22.860 -2.951 6.575
258 HZ2 LYS 33 HZ2 LYS 33 24.099 -2.262 7.499
259 HZ3 LYS 33 HZ3 LYS 33 24.276 -2.409 5.824
260 H ARG 34 HN ARG 34 21.572 -0.951 0.990
261 HA ARG 34 HA ARG 34 24.035 -2.189 1.864
262 HB2 ARG 34 HB2 ARG 34 23.326 -4.098 0.531
263 HB3 ARG 34 HB1 ARG 34 22.001 -3.538 1.540
264 HG2 ARG 34 HG2 ARG 34 20.934 -2.489 -0.336
265 HG3 ARG 34 HG1 ARG 34 22.323 -2.832 -1.369
266 HD2 ARG 34 HD2 ARG 34 20.447 -4.832 -0.116
267 HD3 ARG 34 HD1 ARG 34 20.584 -4.432 -1.828
268 HE ARG 34 HE ARG 34 23.077 -5.320 -0.869
269 HH11 ARG 34 HH11 ARG 34 19.893 -6.518 -1.623
270 HH12 ARG 34 HH12 ARG 34 20.444 -8.115 -2.007
271 HH21 ARG 34 HH21 ARG 34 23.811 -7.421 -1.372
272 HH22 ARG 34 HH22 ARG 34 22.670 -8.627 -1.865
273 H LYS 35 HN LYS 35 24.151 0.303 0.309
274 HA LYS 35 HA LYS 35 24.909 -0.168 -2.350
275 HB2 LYS 35 HB2 LYS 35 26.125 2.044 -2.107
276 HB3 LYS 35 HB1 LYS 35 24.407 2.060 -1.741
277 HG2 LYS 35 HG2 LYS 35 24.995 1.875 0.677
278 HG3 LYS 35 HG1 LYS 35 26.688 2.074 0.221
279 HD2 LYS 35 HD2 LYS 35 26.082 4.234 -0.855
280 HD3 LYS 35 HD1 LYS 35 24.444 4.039 -0.227
281 HE2 LYS 35 HE2 LYS 35 25.721 5.495 1.228
282 HE3 LYS 35 HE1 LYS 35 25.344 3.986 2.059
283 HZ1 LYS 35 HZ1 LYS 35 27.939 4.649 0.773
284 HZ2 LYS 35 HZ2 LYS 35 27.579 3.203 1.573
285 HZ3 LYS 35 HZ3 LYS 35 27.631 4.656 2.437
Start of MODEL 11
1 H1 MET 1 HT1 MET 1 -25.843 -0.252 -5.908
2 H2 MET 1 HT2 MET 1 -24.974 0.855 -4.969
3 H3 MET 1 HT3 MET 1 -26.652 0.734 -4.796
4 HA MET 1 HA MET 1 -26.469 -1.474 -3.917
5 HB2 MET 1 HB2 MET 1 -24.252 -2.434 -3.454
6 HB3 MET 1 HB1 MET 1 -24.506 -2.183 -5.176
7 HG2 MET 1 HG2 MET 1 -23.135 -0.203 -5.133
8 HG3 MET 1 HG1 MET 1 -22.959 -0.326 -3.384
9 HE1 MET 1 HE1 MET 1 -22.910 -3.220 -6.047
10 HE2 MET 1 HE2 MET 1 -21.183 -3.361 -6.372
11 HE3 MET 1 HE3 MET 1 -22.055 -1.909 -6.860
12 H THR 2 HN THR 2 -24.897 -1.953 -1.767
13 HA THR 2 HA THR 2 -25.686 0.188 0.001
14 HB THR 2 HB THR 2 -24.115 -1.805 1.338
15 HG1 THR 2 HG1 THR 2 -25.570 -3.591 0.766
16 HG21 THR 2 HG21 THR 2 -26.212 -2.198 2.530
17 HG22 THR 2 HG22 THR 2 -27.088 -1.276 1.307
18 HG23 THR 2 HG23 THR 2 -25.909 -0.471 2.344
19 H PHE 3 HN PHE 3 -24.377 1.511 1.191
20 HA PHE 3 HA PHE 3 -21.861 2.202 0.129
21 HB2 PHE 3 HB2 PHE 3 -23.551 3.592 1.568
22 HB3 PHE 3 HB1 PHE 3 -22.654 2.927 2.930
23 HD1 PHE 3 HD1 PHE 3 -20.890 4.154 3.737
24 HD2 PHE 3 HD2 PHE 3 -22.005 4.566 -0.345
25 HE1 PHE 3 HE1 PHE 3 -19.174 5.894 3.451
26 HE2 PHE 3 HE2 PHE 3 -20.292 6.307 -0.644
27 HZ PHE 3 HZ PHE 3 -18.872 6.974 1.257
28 H ALA 4 HN ALA 4 -22.844 0.179 2.826
29 HA ALA 4 HA ALA 4 -20.251 -0.166 3.935
30 HB1 ALA 4 HB1 ALA 4 -21.253 -2.034 5.171
31 HB2 ALA 4 HB2 ALA 4 -22.701 -1.914 4.170
32 HB3 ALA 4 HB3 ALA 4 -22.259 -0.587 5.245
33 H GLU 5 HN GLU 5 -22.200 -2.006 1.623
34 HA GLU 5 HA GLU 5 -20.426 -4.172 1.318
35 HB2 GLU 5 HB2 GLU 5 -22.520 -3.014 -0.521
36 HB3 GLU 5 HB1 GLU 5 -21.613 -4.471 -0.904
37 HG2 GLU 5 HG2 GLU 5 -23.411 -4.081 1.478
38 HG3 GLU 5 HG1 GLU 5 -23.794 -5.001 0.023
39 H LEU 6 HN LEU 6 -20.467 -0.956 0.042
40 HA LEU 6 HA LEU 6 -18.370 -1.563 -1.902
41 HB2 LEU 6 HB2 LEU 6 -20.387 -0.065 -2.392
42 HB3 LEU 6 HB1 LEU 6 -19.614 1.124 -1.359
43 HG LEU 6 HG LEU 6 -17.923 0.049 -3.527
44 HD11 LEU 6 HD11 LEU 6 -20.266 1.857 -4.104
45 HD12 LEU 6 HD12 LEU 6 -20.052 0.209 -4.694
46 HD13 LEU 6 HD13 LEU 6 -18.953 1.484 -5.221
47 HD21 LEU 6 HD21 LEU 6 -17.408 2.498 -3.716
48 HD22 LEU 6 HD22 LEU 6 -17.050 1.782 -2.145
49 HD23 LEU 6 HD23 LEU 6 -18.499 2.764 -2.356
50 H GLY 7 HN GLY 7 -18.734 -0.537 1.292
51 HA2 GLY 7 HA2 GLY 7 -16.585 1.297 1.513
52 HA3 GLY 7 HA1 GLY 7 -17.311 0.398 2.835
53 H MET 8 HN MET 8 -16.764 -2.204 2.100
54 HA MET 8 HA MET 8 -14.053 -2.434 2.913
55 HB2 MET 8 HB2 MET 8 -15.981 -4.519 1.874
56 HB3 MET 8 HB1 MET 8 -14.413 -4.877 2.585
57 HG2 MET 8 HG2 MET 8 -16.639 -3.443 4.011
58 HG3 MET 8 HG1 MET 8 -16.321 -5.171 4.136
59 HE1 MET 8 HE1 MET 8 -16.541 -3.494 6.712
60 HE2 MET 8 HE2 MET 8 -15.107 -3.970 7.622
61 HE3 MET 8 HE3 MET 8 -16.036 -5.184 6.744
62 H ALA 9 HN ALA 9 -15.707 -3.035 -0.173
63 HA ALA 9 HA ALA 9 -13.454 -3.979 -1.570
64 HB1 ALA 9 HB1 ALA 9 -15.735 -4.305 -2.375
65 HB2 ALA 9 HB2 ALA 9 -14.737 -3.516 -3.597
66 HB3 ALA 9 HB3 ALA 9 -15.891 -2.571 -2.656
67 H PHE 10 HN PHE 10 -14.809 -0.728 -1.217
68 HA PHE 10 HA PHE 10 -12.951 0.538 -2.948
69 HB2 PHE 10 HB2 PHE 10 -14.977 1.687 -2.586
70 HB3 PHE 10 HB1 PHE 10 -14.852 1.537 -0.839
71 HD1 PHE 10 HD1 PHE 10 -12.531 2.845 -3.465
72 HD2 PHE 10 HD2 PHE 10 -14.698 3.592 0.121
73 HE1 PHE 10 HE1 PHE 10 -11.539 5.092 -3.339
74 HE2 PHE 10 HE2 PHE 10 -13.706 5.839 0.258
75 HZ PHE 10 HZ PHE 10 -12.125 6.593 -1.476
76 H TRP 11 HN TRP 11 -13.078 0.142 0.585
77 HA TRP 11 HA TRP 11 -10.782 1.676 1.141
78 HB2 TRP 11 HB2 TRP 11 -12.447 -0.264 2.625
79 HB3 TRP 11 HB1 TRP 11 -10.797 -0.066 3.206
80 HD1 TRP 11 HD1 TRP 11 -14.135 1.382 3.628
81 HE1 TRP 11 HE1 TRP 11 -14.005 3.671 4.799
82 HE3 TRP 11 HE3 TRP 11 -9.121 2.259 3.141
83 HZ2 TRP 11 HZ2 TRP 11 -12.037 5.593 5.433
84 HZ3 TRP 11 HZ3 TRP 11 -8.195 4.347 4.058
85 HH2 TRP 11 HH2 TRP 11 -9.625 5.979 5.179
86 H HIS 12 HN HIS 12 -11.214 -1.765 0.494
87 HA HIS 12 HA HIS 12 -8.515 -2.488 0.962
88 HB2 HIS 12 HB2 HIS 12 -10.757 -3.821 -0.553
89 HB3 HIS 12 HB1 HIS 12 -9.156 -4.542 -0.408
90 HD1 HIS 12 HD1 HIS 12 -10.707 -2.737 2.502
91 HD2 HIS 12 HD2 HIS 12 -10.070 -6.621 1.171
92 HE1 HIS 12 HE1 HIS 12 -11.244 -4.254 4.454
93 H ASP 13 HN ASP 13 -10.307 -1.535 -1.927
94 HA ASP 13 HA ASP 13 -8.243 -2.059 -3.779
95 HB2 ASP 13 HB2 ASP 13 -10.554 -1.799 -4.500
96 HB3 ASP 13 HB1 ASP 13 -10.561 -0.126 -3.952
97 H LEU 14 HN LEU 14 -9.151 0.873 -1.993
98 HA LEU 14 HA LEU 14 -7.148 2.482 -3.238
99 HB2 LEU 14 HB2 LEU 14 -7.835 4.229 -1.862
100 HB3 LEU 14 HB1 LEU 14 -9.290 3.311 -2.175
101 HG LEU 14 HG LEU 14 -8.641 2.171 0.132
102 HD11 LEU 14 HD11 LEU 14 -6.538 3.545 0.243
103 HD12 LEU 14 HD12 LEU 14 -7.584 3.649 1.660
104 HD13 LEU 14 HD13 LEU 14 -7.564 4.959 0.479
105 HD21 LEU 14 HD21 LEU 14 -10.139 3.754 1.226
106 HD22 LEU 14 HD22 LEU 14 -10.733 3.335 -0.380
107 HD23 LEU 14 HD23 LEU 14 -9.936 4.885 -0.111
108 H ALA 15 HN ALA 15 -7.287 0.490 -0.379
109 HA ALA 15 HA ALA 15 -4.938 1.512 0.848
110 HB1 ALA 15 HB1 ALA 15 -6.210 -1.192 1.236
111 HB2 ALA 15 HB2 ALA 15 -6.682 0.284 2.079
112 HB3 ALA 15 HB3 ALA 15 -5.071 -0.394 2.321
113 H ALA 16 HN ALA 16 -5.535 -1.049 -1.491
114 HA ALA 16 HA ALA 16 -3.217 -2.504 -1.358
115 HB1 ALA 16 HB1 ALA 16 -5.138 -2.987 -2.847
116 HB2 ALA 16 HB2 ALA 16 -3.571 -3.142 -3.641
117 HB3 ALA 16 HB3 ALA 16 -4.570 -1.720 -3.933
118 HA PRO 17 HA PRO 17 -0.848 0.583 -4.208
119 HB2 PRO 17 HB2 PRO 17 -1.918 3.042 -4.641
120 HB3 PRO 17 HB1 PRO 17 -2.277 1.648 -5.679
121 HG2 PRO 17 HG2 PRO 17 -3.906 2.827 -3.481
122 HG3 PRO 17 HG1 PRO 17 -4.416 2.226 -5.072
123 HD2 PRO 17 HD2 PRO 17 -4.691 0.775 -2.801
124 HD3 PRO 17 HD1 PRO 17 -4.435 0.041 -4.394
125 H VAL 18 HN VAL 18 -2.669 1.790 -1.473
126 HA VAL 18 HA VAL 18 -0.871 3.868 -0.732
127 HB VAL 18 HB VAL 18 -2.936 2.357 0.877
128 HG11 VAL 18 HG11 VAL 18 -1.230 3.213 2.384
129 HG12 VAL 18 HG12 VAL 18 -2.725 4.132 2.554
130 HG13 VAL 18 HG13 VAL 18 -1.368 4.814 1.657
131 HG21 VAL 18 HG21 VAL 18 -4.364 4.197 0.519
132 HG22 VAL 18 HG22 VAL 18 -3.641 3.855 -1.053
133 HG23 VAL 18 HG23 VAL 18 -3.048 5.203 -0.084
134 H ILE 19 HN ILE 19 -1.338 0.547 0.414
135 HA ILE 19 HA ILE 19 0.810 0.601 2.269
136 HB ILE 19 HB ILE 19 -0.486 -1.807 0.983
137 HG12 ILE 19 HG12 ILE 19 -1.194 -0.665 3.674
138 HG13 ILE 19 HG11 ILE 19 -1.974 -0.071 2.212
139 HG21 ILE 19 HG21 ILE 19 1.614 -2.328 2.090
140 HG22 ILE 19 HG22 ILE 19 0.257 -2.979 3.008
141 HG23 ILE 19 HG23 ILE 19 1.066 -1.509 3.553
142 HD11 ILE 19 HD11 ILE 19 -1.971 -2.933 3.138
143 HD12 ILE 19 HD12 ILE 19 -2.812 -2.286 1.729
144 HD13 ILE 19 HD13 ILE 19 -3.293 -1.785 3.350
145 H ALA 20 HN ALA 20 0.458 -0.522 -1.065
146 HA ALA 20 HA ALA 20 2.989 -1.720 -1.326
147 HB1 ALA 20 HB1 ALA 20 2.624 -1.584 -3.723
148 HB2 ALA 20 HB2 ALA 20 1.321 -0.421 -3.481
149 HB3 ALA 20 HB3 ALA 20 1.140 -2.080 -2.909
150 H GLY 21 HN GLY 21 1.881 1.601 -1.751
151 HA2 GLY 21 HA2 GLY 21 4.211 2.642 -2.942
152 HA3 GLY 21 HA1 GLY 21 3.038 3.569 -2.015
153 H ILE 22 HN ILE 22 3.255 2.348 0.454
154 HA ILE 22 HA ILE 22 5.552 3.612 1.523
155 HB ILE 22 HB ILE 22 3.767 1.560 2.845
156 HG12 ILE 22 HG12 ILE 22 3.575 4.571 3.007
157 HG13 ILE 22 HG11 ILE 22 2.619 3.608 1.886
158 HG21 ILE 22 HG21 ILE 22 4.520 2.636 4.939
159 HG22 ILE 22 HG22 ILE 22 5.649 3.613 4.001
160 HG23 ILE 22 HG23 ILE 22 5.835 1.860 4.056
161 HD11 ILE 22 HD11 ILE 22 1.568 2.455 3.740
162 HD12 ILE 22 HD12 ILE 22 1.373 4.201 3.901
163 HD13 ILE 22 HD13 ILE 22 2.567 3.352 4.883
164 H LEU 23 HN LEU 23 4.768 0.297 0.672
165 HA LEU 23 HA LEU 23 7.015 -0.943 1.846
166 HB2 LEU 23 HB2 LEU 23 5.127 -2.274 1.207
167 HB3 LEU 23 HB1 LEU 23 5.239 -1.738 -0.457
168 HG LEU 23 HG LEU 23 7.391 -2.950 -0.676
169 HD11 LEU 23 HD11 LEU 23 8.084 -2.918 1.656
170 HD12 LEU 23 HD12 LEU 23 8.025 -4.570 1.042
171 HD13 LEU 23 HD13 LEU 23 6.735 -3.970 2.085
172 HD21 LEU 23 HD21 LEU 23 5.319 -4.001 -1.385
173 HD22 LEU 23 HD22 LEU 23 5.050 -4.611 0.248
174 HD23 LEU 23 HD23 LEU 23 6.417 -5.199 -0.699
175 H ALA 24 HN ALA 24 6.477 0.639 -1.235
176 HA ALA 24 HA ALA 24 8.804 -0.236 -2.559
177 HB1 ALA 24 HB1 ALA 24 7.307 2.354 -2.945
178 HB2 ALA 24 HB2 ALA 24 6.899 0.815 -3.704
179 HB3 ALA 24 HB3 ALA 24 8.426 1.610 -4.087
180 H SER 25 HN SER 25 8.169 2.570 -0.494
181 HA SER 25 HA SER 25 10.687 3.797 -0.846
182 HB2 SER 25 HB2 SER 25 10.127 5.132 1.111
183 HB3 SER 25 HB1 SER 25 8.705 4.967 0.081
184 HG SER 25 HG SER 25 9.073 4.175 2.642
185 H MET 26 HN MET 26 9.528 1.310 1.346
186 HA MET 26 HA MET 26 11.777 1.330 3.073
187 HB2 MET 26 HB2 MET 26 9.762 -0.842 2.477
188 HB3 MET 26 HB1 MET 26 10.978 -0.948 3.742
189 HG2 MET 26 HG2 MET 26 9.986 1.191 4.672
190 HG3 MET 26 HG1 MET 26 8.644 0.927 3.561
191 HE1 MET 26 HE1 MET 26 8.415 -2.230 3.539
192 HE2 MET 26 HE2 MET 26 7.003 -1.183 3.692
193 HE3 MET 26 HE3 MET 26 7.238 -2.517 4.822
194 H ILE 27 HN ILE 27 10.979 -0.490 0.148
195 HA ILE 27 HA ILE 27 13.233 -2.195 0.207
196 HB ILE 27 HB ILE 27 11.595 -1.277 -2.164
197 HG12 ILE 27 HG12 ILE 27 11.461 -3.832 -0.543
198 HG13 ILE 27 HG11 ILE 27 10.331 -2.490 -0.402
199 HG21 ILE 27 HG21 ILE 27 13.758 -2.085 -2.895
200 HG22 ILE 27 HG22 ILE 27 12.512 -3.265 -3.298
201 HG23 ILE 27 HG23 ILE 27 13.573 -3.541 -1.917
202 HD11 ILE 27 HD11 ILE 27 9.384 -4.266 -1.736
203 HD12 ILE 27 HD12 ILE 27 10.761 -4.206 -2.836
204 HD13 ILE 27 HD13 ILE 27 9.655 -2.837 -2.733
205 H VAL 28 HN VAL 28 12.642 0.949 -1.323
206 HA VAL 28 HA VAL 28 15.118 1.125 -2.664
207 HB VAL 28 HB VAL 28 13.306 3.337 -1.681
208 HG11 VAL 28 HG11 VAL 28 14.477 4.734 -3.364
209 HG12 VAL 28 HG12 VAL 28 15.637 3.426 -3.593
210 HG13 VAL 28 HG13 VAL 28 15.515 4.233 -2.030
211 HG21 VAL 28 HG21 VAL 28 13.596 2.121 -4.427
212 HG22 VAL 28 HG22 VAL 28 12.474 3.397 -3.953
213 HG23 VAL 28 HG23 VAL 28 12.288 1.772 -3.296
214 H ASN 29 HN ASN 29 14.062 2.221 0.537
215 HA ASN 29 HA ASN 29 16.416 3.560 1.268
216 HB2 ASN 29 HB2 ASN 29 14.324 2.165 2.947
217 HB3 ASN 29 HB1 ASN 29 15.632 3.126 3.630
218 HD21 ASN 29 HD21 ASN 29 15.588 5.059 1.456
219 HD22 ASN 29 HD22 ASN 29 14.184 6.033 1.707
220 H TRP 30 HN TRP 30 15.512 0.180 1.370
221 HA TRP 30 HA TRP 30 17.691 -0.709 2.962
222 HB2 TRP 30 HB2 TRP 30 15.909 -2.208 2.916
223 HB3 TRP 30 HB1 TRP 30 15.673 -2.032 1.182
224 HD1 TRP 30 HD1 TRP 30 18.551 -3.405 3.424
225 HE1 TRP 30 HE1 TRP 30 19.395 -5.588 2.352
226 HE3 TRP 30 HE3 TRP 30 15.467 -3.551 -0.647
227 HZ2 TRP 30 HZ2 TRP 30 18.824 -7.164 0.078
228 HZ3 TRP 30 HZ3 TRP 30 15.678 -5.428 -2.222
229 HH2 TRP 30 HH2 TRP 30 17.322 -7.197 -1.866
230 H LEU 31 HN LEU 31 17.101 -0.750 -0.548
231 HA LEU 31 HA LEU 31 19.587 -1.861 -1.256
232 HB2 LEU 31 HB2 LEU 31 17.531 -0.266 -2.734
233 HB3 LEU 31 HB1 LEU 31 19.054 -0.676 -3.499
234 HG LEU 31 HG LEU 31 17.168 -2.725 -2.343
235 HD11 LEU 31 HD11 LEU 31 16.069 -1.553 -4.158
236 HD12 LEU 31 HD12 LEU 31 16.529 -3.179 -4.665
237 HD13 LEU 31 HD13 LEU 31 17.481 -1.789 -5.188
238 HD21 LEU 31 HD21 LEU 31 19.525 -2.968 -4.209
239 HD22 LEU 31 HD22 LEU 31 18.486 -4.290 -3.676
240 HD23 LEU 31 HD23 LEU 31 19.499 -3.439 -2.510
241 H ASN 32 HN ASN 32 18.610 1.389 -0.495
242 HA ASN 32 HA ASN 32 20.878 2.685 -1.650
243 HB2 ASN 32 HB2 ASN 32 18.710 3.545 0.242
244 HB3 ASN 32 HB1 ASN 32 20.077 4.599 -0.105
245 HD21 ASN 32 HD21 ASN 32 18.787 2.408 -2.483
246 HD22 ASN 32 HD22 ASN 32 18.085 3.613 -3.501
247 H LYS 33 HN LYS 33 20.441 0.893 1.219
248 HA LYS 33 HA LYS 33 22.732 2.213 2.496
249 HB2 LYS 33 HB2 LYS 33 22.027 1.369 4.553
250 HB3 LYS 33 HB1 LYS 33 20.520 1.757 3.740
251 HG2 LYS 33 HG2 LYS 33 19.887 -0.295 4.335
252 HG3 LYS 33 HG1 LYS 33 20.908 -0.845 3.005
253 HD2 LYS 33 HD2 LYS 33 22.795 -1.069 4.566
254 HD3 LYS 33 HD1 LYS 33 21.746 -0.558 5.890
255 HE2 LYS 33 HE2 LYS 33 20.289 -2.500 5.443
256 HE3 LYS 33 HE1 LYS 33 21.408 -3.023 4.185
257 HZ1 LYS 33 HZ1 LYS 33 21.842 -4.208 6.217
258 HZ2 LYS 33 HZ2 LYS 33 22.018 -2.765 7.080
259 HZ3 LYS 33 HZ3 LYS 33 23.146 -3.180 5.889
260 H ARG 34 HN ARG 34 21.813 -0.639 0.821
261 HA ARG 34 HA ARG 34 24.212 -2.058 1.730
262 HB2 ARG 34 HB2 ARG 34 23.261 -4.049 0.819
263 HB3 ARG 34 HB1 ARG 34 21.993 -3.235 1.723
264 HG2 ARG 34 HG2 ARG 34 20.854 -2.601 -0.203
265 HG3 ARG 34 HG1 ARG 34 22.268 -2.841 -1.233
266 HD2 ARG 34 HD2 ARG 34 20.623 -4.975 0.122
267 HD3 ARG 34 HD1 ARG 34 20.697 -4.632 -1.607
268 HE ARG 34 HE ARG 34 23.262 -5.243 -0.512
269 HH11 ARG 34 HH11 ARG 34 20.304 -6.663 -1.687
270 HH12 ARG 34 HH12 ARG 34 21.050 -8.163 -2.126
271 HH21 ARG 34 HH21 ARG 34 24.249 -7.212 -1.085
272 HH22 ARG 34 HH22 ARG 34 23.293 -8.476 -1.783
273 H LYS 35 HN LYS 35 23.798 0.236 -0.350
274 HA LYS 35 HA LYS 35 24.465 -0.687 -2.890
275 HB2 LYS 35 HB2 LYS 35 25.556 1.647 -3.106
276 HB3 LYS 35 HB1 LYS 35 23.827 1.549 -2.808
277 HG2 LYS 35 HG2 LYS 35 24.222 1.966 -0.425
278 HG3 LYS 35 HG1 LYS 35 25.952 2.093 -0.743
279 HD2 LYS 35 HD2 LYS 35 23.862 3.849 -2.023
280 HD3 LYS 35 HD1 LYS 35 24.770 4.287 -0.575
281 HE2 LYS 35 HE2 LYS 35 26.866 4.050 -1.857
282 HE3 LYS 35 HE1 LYS 35 25.919 3.694 -3.301
283 HZ1 LYS 35 HZ1 LYS 35 25.805 6.223 -1.746
284 HZ2 LYS 35 HZ2 LYS 35 24.917 5.884 -3.145
285 HZ3 LYS 35 HZ3 LYS 35 26.602 6.013 -3.224
Start of MODEL 12
1 H1 MET 1 HT1 MET 1 -27.122 -0.697 5.196
2 H2 MET 1 HT2 MET 1 -26.762 -1.974 4.146
3 H3 MET 1 HT3 MET 1 -27.840 -0.762 3.664
4 HA MET 1 HA MET 1 -26.082 0.876 3.714
5 HB2 MET 1 HB2 MET 1 -24.735 -0.198 5.468
6 HB3 MET 1 HB1 MET 1 -24.332 -1.505 4.364
7 HG2 MET 1 HG2 MET 1 -22.505 0.080 4.569
8 HG3 MET 1 HG1 MET 1 -23.142 0.046 2.926
9 HE1 MET 1 HE1 MET 1 -23.003 2.055 6.313
10 HE2 MET 1 HE2 MET 1 -24.726 1.760 6.080
11 HE3 MET 1 HE3 MET 1 -24.088 3.399 5.955
12 H THR 2 HN THR 2 -24.880 1.306 1.823
13 HA THR 2 HA THR 2 -25.584 -0.436 -0.393
14 HB THR 2 HB THR 2 -24.086 1.680 -1.418
15 HG1 THR 2 HG1 THR 2 -25.837 3.147 0.013
16 HG21 THR 2 HG21 THR 2 -26.152 0.757 -2.361
17 HG22 THR 2 HG22 THR 2 -26.247 2.511 -2.211
18 HG23 THR 2 HG23 THR 2 -27.078 1.480 -1.046
19 H PHE 3 HN PHE 3 -24.237 -1.733 -1.458
20 HA PHE 3 HA PHE 3 -21.682 -2.339 -0.444
21 HB2 PHE 3 HB2 PHE 3 -23.337 -3.763 -1.896
22 HB3 PHE 3 HB1 PHE 3 -22.468 -3.045 -3.249
23 HD1 PHE 3 HD1 PHE 3 -20.758 -4.298 -4.116
24 HD2 PHE 3 HD2 PHE 3 -21.657 -4.623 0.029
25 HE1 PHE 3 HE1 PHE 3 -18.985 -5.987 -3.869
26 HE2 PHE 3 HE2 PHE 3 -19.886 -6.313 0.285
27 HZ PHE 3 HZ PHE 3 -18.548 -6.997 -1.666
28 H ALA 4 HN ALA 4 -22.776 -0.257 -3.048
29 HA ALA 4 HA ALA 4 -20.224 0.173 -4.222
30 HB1 ALA 4 HB1 ALA 4 -22.685 1.916 -4.324
31 HB2 ALA 4 HB2 ALA 4 -22.300 0.604 -5.439
32 HB3 ALA 4 HB3 ALA 4 -21.279 2.041 -5.383
33 H GLU 5 HN GLU 5 -22.124 1.927 -1.800
34 HA GLU 5 HA GLU 5 -20.318 4.080 -1.501
35 HB2 GLU 5 HB2 GLU 5 -22.399 2.957 0.378
36 HB3 GLU 5 HB1 GLU 5 -21.497 4.433 0.692
37 HG2 GLU 5 HG2 GLU 5 -23.313 3.960 -1.661
38 HG3 GLU 5 HG1 GLU 5 -23.718 4.884 -0.215
39 H LEU 6 HN LEU 6 -20.468 0.870 -0.172
40 HA LEU 6 HA LEU 6 -18.359 1.418 1.763
41 HB2 LEU 6 HB2 LEU 6 -20.327 -0.079 2.265
42 HB3 LEU 6 HB1 LEU 6 -19.675 -1.217 1.101
43 HG LEU 6 HG LEU 6 -17.807 -0.389 3.232
44 HD11 LEU 6 HD11 LEU 6 -18.810 -1.893 4.881
45 HD12 LEU 6 HD12 LEU 6 -20.200 -2.128 3.821
46 HD13 LEU 6 HD13 LEU 6 -19.876 -0.537 4.510
47 HD21 LEU 6 HD21 LEU 6 -17.265 -2.771 3.170
48 HD22 LEU 6 HD22 LEU 6 -17.236 -2.072 1.552
49 HD23 LEU 6 HD23 LEU 6 -18.608 -3.054 2.063
50 H GLY 7 HN GLY 7 -18.690 0.480 -1.460
51 HA2 GLY 7 HA2 GLY 7 -16.529 -1.333 -1.718
52 HA3 GLY 7 HA1 GLY 7 -17.242 -0.392 -3.017
53 H MET 8 HN MET 8 -16.717 2.173 -2.296
54 HA MET 8 HA MET 8 -13.976 2.417 -2.999
55 HB2 MET 8 HB2 MET 8 -15.955 4.503 -2.061
56 HB3 MET 8 HB1 MET 8 -14.377 4.853 -2.755
57 HG2 MET 8 HG2 MET 8 -16.561 3.356 -4.179
58 HG3 MET 8 HG1 MET 8 -16.266 5.086 -4.344
59 HE1 MET 8 HE1 MET 8 -15.015 3.563 -7.756
60 HE2 MET 8 HE2 MET 8 -16.062 4.773 -7.015
61 HE3 MET 8 HE3 MET 8 -16.396 3.057 -6.782
62 H ALA 9 HN ALA 9 -15.772 2.952 0.008
63 HA ALA 9 HA ALA 9 -13.616 3.985 1.503
64 HB1 ALA 9 HB1 ALA 9 -16.030 2.483 2.511
65 HB2 ALA 9 HB2 ALA 9 -15.971 4.213 2.173
66 HB3 ALA 9 HB3 ALA 9 -14.976 3.531 3.460
67 H PHE 10 HN PHE 10 -14.878 0.690 1.148
68 HA PHE 10 HA PHE 10 -13.026 -0.499 2.940
69 HB2 PHE 10 HB2 PHE 10 -15.010 -1.712 2.569
70 HB3 PHE 10 HB1 PHE 10 -14.867 -1.584 0.822
71 HD1 PHE 10 HD1 PHE 10 -12.530 -2.780 3.484
72 HD2 PHE 10 HD2 PHE 10 -14.663 -3.657 -0.092
73 HE1 PHE 10 HE1 PHE 10 -11.471 -4.999 3.404
74 HE2 PHE 10 HE2 PHE 10 -13.605 -5.877 -0.184
75 HZ PHE 10 HZ PHE 10 -12.007 -6.552 1.568
76 H TRP 11 HN TRP 11 -13.087 -0.163 -0.603
77 HA TRP 11 HA TRP 11 -10.751 -1.660 -1.081
78 HB2 TRP 11 HB2 TRP 11 -12.414 0.226 -2.633
79 HB3 TRP 11 HB1 TRP 11 -10.747 0.050 -3.172
80 HD1 TRP 11 HD1 TRP 11 -14.049 -1.484 -3.627
81 HE1 TRP 11 HE1 TRP 11 -13.843 -3.787 -4.756
82 HE3 TRP 11 HE3 TRP 11 -9.023 -2.225 -3.047
83 HZ2 TRP 11 HZ2 TRP 11 -11.817 -5.669 -5.329
84 HZ3 TRP 11 HZ3 TRP 11 -8.029 -4.302 -3.917
85 HH2 TRP 11 HH2 TRP 11 -9.399 -5.989 -5.031
86 H HIS 12 HN HIS 12 -11.249 1.792 -0.503
87 HA HIS 12 HA HIS 12 -8.543 2.535 -0.911
88 HB2 HIS 12 HB2 HIS 12 -10.855 3.868 0.487
89 HB3 HIS 12 HB1 HIS 12 -9.252 4.596 0.443
90 HD1 HIS 12 HD1 HIS 12 -10.806 2.812 -2.512
91 HD2 HIS 12 HD2 HIS 12 -9.870 6.654 -1.238
92 HE1 HIS 12 HE1 HIS 12 -11.178 4.330 -4.501
93 H ASP 13 HN ASP 13 -10.402 1.619 1.946
94 HA ASP 13 HA ASP 13 -8.410 2.203 3.854
95 HB2 ASP 13 HB2 ASP 13 -10.779 1.869 4.444
96 HB3 ASP 13 HB1 ASP 13 -10.646 0.169 4.004
97 H LEU 14 HN LEU 14 -9.212 -0.771 2.087
98 HA LEU 14 HA LEU 14 -7.186 -2.313 3.384
99 HB2 LEU 14 HB2 LEU 14 -7.808 -4.095 2.019
100 HB3 LEU 14 HB1 LEU 14 -9.291 -3.210 2.283
101 HG LEU 14 HG LEU 14 -8.652 -2.090 -0.020
102 HD11 LEU 14 HD11 LEU 14 -6.484 -3.203 -0.196
103 HD12 LEU 14 HD12 LEU 14 -7.556 -3.670 -1.516
104 HD13 LEU 14 HD13 LEU 14 -7.285 -4.772 -0.165
105 HD21 LEU 14 HD21 LEU 14 -9.972 -3.850 -1.145
106 HD22 LEU 14 HD22 LEU 14 -10.690 -3.325 0.376
107 HD23 LEU 14 HD23 LEU 14 -9.815 -4.854 0.295
108 H ALA 15 HN ALA 15 -7.339 -0.303 0.561
109 HA ALA 15 HA ALA 15 -4.959 -1.244 -0.672
110 HB1 ALA 15 HB1 ALA 15 -5.125 0.694 -2.095
111 HB2 ALA 15 HB2 ALA 15 -6.285 1.443 -0.997
112 HB3 ALA 15 HB3 ALA 15 -6.724 -0.019 -1.881
113 H ALA 16 HN ALA 16 -5.637 1.233 1.728
114 HA ALA 16 HA ALA 16 -3.354 2.750 1.658
115 HB1 ALA 16 HB1 ALA 16 -3.715 3.198 4.046
116 HB2 ALA 16 HB2 ALA 16 -4.864 1.861 4.111
117 HB3 ALA 16 HB3 ALA 16 -5.212 3.273 3.115
118 HA PRO 17 HA PRO 17 -0.940 -0.339 4.465
119 HB2 PRO 17 HB2 PRO 17 -1.945 -2.833 4.832
120 HB3 PRO 17 HB1 PRO 17 -2.367 -1.473 5.891
121 HG2 PRO 17 HG2 PRO 17 -3.912 -2.640 3.626
122 HG3 PRO 17 HG1 PRO 17 -4.474 -2.117 5.227
123 HD2 PRO 17 HD2 PRO 17 -4.767 -0.589 3.015
124 HD3 PRO 17 HD1 PRO 17 -4.534 0.098 4.633
125 H VAL 18 HN VAL 18 -2.711 -1.555 1.696
126 HA VAL 18 HA VAL 18 -0.839 -3.546 0.913
127 HB VAL 18 HB VAL 18 -2.941 -2.062 -0.674
128 HG11 VAL 18 HG11 VAL 18 -1.191 -2.826 -2.184
129 HG12 VAL 18 HG12 VAL 18 -2.660 -3.778 -2.398
130 HG13 VAL 18 HG13 VAL 18 -1.296 -4.450 -1.504
131 HG21 VAL 18 HG21 VAL 18 -4.292 -3.995 -0.403
132 HG22 VAL 18 HG22 VAL 18 -3.654 -3.603 1.193
133 HG23 VAL 18 HG23 VAL 18 -2.949 -4.923 0.262
134 H ILE 19 HN ILE 19 -1.379 -0.195 -0.085
135 HA ILE 19 HA ILE 19 0.753 -0.110 -1.958
136 HB ILE 19 HB ILE 19 -0.618 2.183 -0.545
137 HG12 ILE 19 HG12 ILE 19 -1.228 1.197 -3.321
138 HG13 ILE 19 HG11 ILE 19 -2.020 0.487 -1.917
139 HG21 ILE 19 HG21 ILE 19 1.008 2.103 -3.083
140 HG22 ILE 19 HG22 ILE 19 1.481 2.853 -1.559
141 HG23 ILE 19 HG23 ILE 19 0.126 3.505 -2.481
142 HD11 ILE 19 HD11 ILE 19 -2.961 2.621 -1.322
143 HD12 ILE 19 HD12 ILE 19 -3.358 2.238 -2.998
144 HD13 ILE 19 HD13 ILE 19 -2.086 3.407 -2.637
145 H ALA 20 HN ALA 20 0.404 0.866 1.425
146 HA ALA 20 HA ALA 20 2.946 2.067 1.691
147 HB1 ALA 20 HB1 ALA 20 1.099 2.450 3.267
148 HB2 ALA 20 HB2 ALA 20 2.571 1.927 4.086
149 HB3 ALA 20 HB3 ALA 20 1.250 0.786 3.833
150 H GLY 21 HN GLY 21 1.807 -1.242 2.041
151 HA2 GLY 21 HA2 GLY 21 4.121 -2.315 3.257
152 HA3 GLY 21 HA1 GLY 21 2.932 -3.225 2.334
153 H ILE 22 HN ILE 22 3.158 -2.031 -0.141
154 HA ILE 22 HA ILE 22 5.448 -3.322 -1.198
155 HB ILE 22 HB ILE 22 3.565 -1.343 -2.493
156 HG12 ILE 22 HG12 ILE 22 3.653 -4.355 -2.744
157 HG13 ILE 22 HG11 ILE 22 2.588 -3.504 -1.631
158 HG21 ILE 22 HG21 ILE 22 4.407 -2.253 -4.627
159 HG22 ILE 22 HG22 ILE 22 5.620 -3.169 -3.733
160 HG23 ILE 22 HG23 ILE 22 5.653 -1.406 -3.710
161 HD11 ILE 22 HD11 ILE 22 2.581 -3.124 -4.615
162 HD12 ILE 22 HD12 ILE 22 1.434 -2.458 -3.452
163 HD13 ILE 22 HD13 ILE 22 1.495 -4.197 -3.734
164 H LEU 23 HN LEU 23 4.674 0.012 -0.404
165 HA LEU 23 HA LEU 23 6.901 1.228 -1.636
166 HB2 LEU 23 HB2 LEU 23 5.001 2.549 -0.978
167 HB3 LEU 23 HB1 LEU 23 5.191 2.076 0.699
168 HG LEU 23 HG LEU 23 7.310 3.326 0.808
169 HD11 LEU 23 HD11 LEU 23 6.621 4.169 -2.004
170 HD12 LEU 23 HD12 LEU 23 7.979 3.150 -1.524
171 HD13 LEU 23 HD13 LEU 23 7.921 4.838 -1.017
172 HD21 LEU 23 HD21 LEU 23 4.958 4.927 -0.193
173 HD22 LEU 23 HD22 LEU 23 6.331 5.571 0.708
174 HD23 LEU 23 HD23 LEU 23 5.239 4.414 1.471
175 H ALA 24 HN ALA 24 6.410 -0.230 1.521
176 HA ALA 24 HA ALA 24 8.798 0.656 2.730
177 HB1 ALA 24 HB1 ALA 24 6.933 -0.250 4.016
178 HB2 ALA 24 HB2 ALA 24 8.419 -1.140 4.349
179 HB3 ALA 24 HB3 ALA 24 7.191 -1.836 3.290
180 H SER 25 HN SER 25 8.027 -2.170 0.763
181 HA SER 25 HA SER 25 10.474 -3.530 1.123
182 HB2 SER 25 HB2 SER 25 8.541 -3.635 -1.206
183 HB3 SER 25 HB1 SER 25 9.831 -4.798 -0.898
184 HG SER 25 HG SER 25 7.684 -5.390 -0.115
185 H MET 26 HN MET 26 9.415 -1.108 -1.221
186 HA MET 26 HA MET 26 11.699 -1.267 -2.885
187 HB2 MET 26 HB2 MET 26 9.781 1.031 -2.445
188 HB3 MET 26 HB1 MET 26 10.961 0.937 -3.745
189 HG2 MET 26 HG2 MET 26 9.820 -1.187 -4.470
190 HG3 MET 26 HG1 MET 26 8.546 -0.794 -3.317
191 HE1 MET 26 HE1 MET 26 6.997 1.398 -3.513
192 HE2 MET 26 HE2 MET 26 7.236 2.630 -4.753
193 HE3 MET 26 HE3 MET 26 8.467 2.373 -3.516
194 H ILE 27 HN ILE 27 10.942 0.603 -0.005
195 HA ILE 27 HA ILE 27 13.191 2.324 -0.134
196 HB ILE 27 HB ILE 27 11.474 1.486 2.204
197 HG12 ILE 27 HG12 ILE 27 11.585 4.079 0.647
198 HG13 ILE 27 HG11 ILE 27 10.393 2.811 0.386
199 HG21 ILE 27 HG21 ILE 27 12.472 3.412 3.396
200 HG22 ILE 27 HG22 ILE 27 13.630 3.590 2.078
201 HG23 ILE 27 HG23 ILE 27 13.633 2.128 3.063
202 HD11 ILE 27 HD11 ILE 27 9.478 4.608 1.725
203 HD12 ILE 27 HD12 ILE 27 10.763 4.399 2.915
204 HD13 ILE 27 HD13 ILE 27 9.575 3.120 2.667
205 H VAL 28 HN VAL 28 12.587 -0.739 1.558
206 HA VAL 28 HA VAL 28 15.093 -0.872 2.854
207 HB VAL 28 HB VAL 28 13.219 -3.112 2.071
208 HG11 VAL 28 HG11 VAL 28 15.552 -3.112 3.986
209 HG12 VAL 28 HG12 VAL 28 15.454 -3.978 2.453
210 HG13 VAL 28 HG13 VAL 28 14.393 -4.427 3.788
211 HG21 VAL 28 HG21 VAL 28 12.207 -1.469 3.566
212 HG22 VAL 28 HG22 VAL 28 13.564 -1.634 4.680
213 HG23 VAL 28 HG23 VAL 28 12.481 -2.998 4.401
214 H ASN 29 HN ASN 29 13.923 -2.288 -0.186
215 HA ASN 29 HA ASN 29 16.216 -3.712 -0.876
216 HB2 ASN 29 HB2 ASN 29 14.110 -2.407 -2.603
217 HB3 ASN 29 HB1 ASN 29 15.372 -3.453 -3.246
218 HD21 ASN 29 HD21 ASN 29 13.803 -4.908 -3.984
219 HD22 ASN 29 HD22 ASN 29 12.986 -5.980 -2.903
220 H TRP 30 HN TRP 30 15.385 -0.330 -1.371
221 HA TRP 30 HA TRP 30 17.588 0.307 -3.035
222 HB2 TRP 30 HB2 TRP 30 15.887 1.880 -3.160
223 HB3 TRP 30 HB1 TRP 30 15.616 1.879 -1.422
224 HD1 TRP 30 HD1 TRP 30 18.545 2.954 -3.758
225 HE1 TRP 30 HE1 TRP 30 19.464 5.189 -2.872
226 HE3 TRP 30 HE3 TRP 30 15.493 3.529 0.298
227 HZ2 TRP 30 HZ2 TRP 30 18.959 6.962 -0.731
228 HZ3 TRP 30 HZ3 TRP 30 15.775 5.518 1.718
229 HH2 TRP 30 HH2 TRP 30 17.473 7.199 1.212
230 H LEU 31 HN LEU 31 17.029 0.638 0.454
231 HA LEU 31 HA LEU 31 19.509 1.805 1.072
232 HB2 LEU 31 HB2 LEU 31 17.401 0.378 2.613
233 HB3 LEU 31 HB1 LEU 31 18.960 0.626 3.376
234 HG LEU 31 HG LEU 31 17.381 2.893 2.182
235 HD11 LEU 31 HD11 LEU 31 15.979 1.875 3.860
236 HD12 LEU 31 HD12 LEU 31 16.646 3.384 4.484
237 HD13 LEU 31 HD13 LEU 31 17.321 1.840 5.003
238 HD21 LEU 31 HD21 LEU 31 18.777 4.240 3.677
239 HD22 LEU 31 HD22 LEU 31 19.753 3.306 2.543
240 HD23 LEU 31 HD23 LEU 31 19.602 2.778 4.219
241 H ASN 32 HN ASN 32 18.546 -1.506 0.549
242 HA ASN 32 HA ASN 32 20.836 -2.713 1.736
243 HB2 ASN 32 HB2 ASN 32 18.861 -3.763 -0.300
244 HB3 ASN 32 HB1 ASN 32 20.113 -4.741 0.460
245 HD21 ASN 32 HD21 ASN 32 17.219 -5.019 0.557
246 HD22 ASN 32 HD22 ASN 32 16.787 -4.959 2.228
247 H LYS 33 HN LYS 33 20.334 -1.023 -1.160
248 HA LYS 33 HA LYS 33 22.497 -2.325 -2.598
249 HB2 LYS 33 HB2 LYS 33 20.471 -1.582 -3.801
250 HB3 LYS 33 HB1 LYS 33 20.819 0.079 -3.344
251 HG2 LYS 33 HG2 LYS 33 22.915 -1.428 -4.809
252 HG3 LYS 33 HG1 LYS 33 21.491 -0.892 -5.702
253 HD2 LYS 33 HD2 LYS 33 21.899 1.411 -4.855
254 HD3 LYS 33 HD1 LYS 33 23.393 0.832 -4.115
255 HE2 LYS 33 HE2 LYS 33 24.215 0.163 -6.329
256 HE3 LYS 33 HE1 LYS 33 22.728 0.771 -7.057
257 HZ1 LYS 33 HZ1 LYS 33 24.733 2.389 -5.578
258 HZ2 LYS 33 HZ2 LYS 33 23.290 2.983 -6.230
259 HZ3 LYS 33 HZ3 LYS 33 24.496 2.385 -7.254
260 H ARG 34 HN ARG 34 21.811 0.789 -1.056
261 HA ARG 34 HA ARG 34 24.464 1.787 -1.651
262 HB2 ARG 34 HB2 ARG 34 23.733 3.789 -0.388
263 HB3 ARG 34 HB1 ARG 34 22.632 3.367 -1.691
264 HG2 ARG 34 HG2 ARG 34 21.053 2.445 -0.153
265 HG3 ARG 34 HG1 ARG 34 22.190 2.608 1.187
266 HD2 ARG 34 HD2 ARG 34 21.015 4.883 -0.408
267 HD3 ARG 34 HD1 ARG 34 20.488 4.379 1.197
268 HE ARG 34 HE ARG 34 23.240 4.914 1.272
269 HH11 ARG 34 HH11 ARG 34 20.201 6.583 0.915
270 HH12 ARG 34 HH12 ARG 34 20.791 8.066 1.586
271 HH21 ARG 34 HH21 ARG 34 24.023 6.862 2.159
272 HH22 ARG 34 HH22 ARG 34 22.962 8.224 2.293
273 H LYS 35 HN LYS 35 24.277 -0.619 -0.058
274 HA LYS 35 HA LYS 35 24.640 -0.155 2.680
275 HB2 LYS 35 HB2 LYS 35 25.845 -2.388 2.620
276 HB3 LYS 35 HB1 LYS 35 24.202 -2.377 1.995
277 HG2 LYS 35 HG2 LYS 35 25.179 -2.171 -0.306
278 HG3 LYS 35 HG1 LYS 35 26.763 -2.451 0.421
279 HD2 LYS 35 HD2 LYS 35 25.897 -4.591 1.344
280 HD3 LYS 35 HD1 LYS 35 24.391 -4.314 0.464
281 HE2 LYS 35 HE2 LYS 35 25.830 -5.815 -0.785
282 HE3 LYS 35 HE1 LYS 35 25.642 -4.289 -1.647
283 HZ1 LYS 35 HZ1 LYS 35 27.979 -5.071 0.012
284 HZ2 LYS 35 HZ2 LYS 35 27.800 -3.593 -0.791
285 HZ3 LYS 35 HZ3 LYS 35 27.932 -5.026 -1.679
Start of MODEL 13
1 H1 MET 1 HT1 MET 1 27.746 -0.630 -4.164
2 H2 MET 1 HT2 MET 1 27.581 -1.571 -2.769
3 H3 MET 1 HT3 MET 1 28.236 -0.015 -2.666
4 HA MET 1 HA MET 1 26.145 0.957 -3.334
5 HB2 MET 1 HB2 MET 1 25.310 -0.831 -4.726
6 HB3 MET 1 HB1 MET 1 25.236 -1.925 -3.352
7 HG2 MET 1 HG2 MET 1 23.037 -1.049 -4.043
8 HG3 MET 1 HG1 MET 1 23.450 -0.676 -2.371
9 HE1 MET 1 HE1 MET 1 23.219 0.731 -6.036
10 HE2 MET 1 HE2 MET 1 24.884 1.101 -5.586
11 HE3 MET 1 HE3 MET 1 23.717 2.406 -5.802
12 H THR 2 HN THR 2 24.740 1.659 -1.756
13 HA THR 2 HA THR 2 25.402 0.756 0.942
14 HB THR 2 HB THR 2 23.752 2.879 1.329
15 HG1 THR 2 HG1 THR 2 25.184 4.048 -0.664
16 HG21 THR 2 HG21 THR 2 25.981 2.599 2.295
17 HG22 THR 2 HG22 THR 2 25.797 4.216 1.614
18 HG23 THR 2 HG23 THR 2 26.716 2.990 0.740
19 H PHE 3 HN PHE 3 24.100 -0.558 2.019
20 HA PHE 3 HA PHE 3 21.638 -1.475 1.026
21 HB2 PHE 3 HB2 PHE 3 23.309 -2.454 2.846
22 HB3 PHE 3 HB1 PHE 3 22.197 -1.650 3.951
23 HD1 PHE 3 HD1 PHE 3 20.370 -2.832 4.712
24 HD2 PHE 3 HD2 PHE 3 22.147 -3.920 1.002
25 HE1 PHE 3 HE1 PHE 3 18.828 -4.743 4.536
26 HE2 PHE 3 HE2 PHE 3 20.611 -5.828 0.819
27 HZ PHE 3 HZ PHE 3 18.947 -6.244 2.586
28 H ALA 4 HN ALA 4 22.470 1.115 3.225
29 HA ALA 4 HA ALA 4 19.845 1.582 4.209
30 HB1 ALA 4 HB1 ALA 4 21.819 2.365 5.405
31 HB2 ALA 4 HB2 ALA 4 20.744 3.710 5.022
32 HB3 ALA 4 HB3 ALA 4 22.208 3.453 4.072
33 H GLU 5 HN GLU 5 21.744 2.977 1.556
34 HA GLU 5 HA GLU 5 19.810 4.913 0.817
35 HB2 GLU 5 HB2 GLU 5 22.095 3.667 -0.718
36 HB3 GLU 5 HB1 GLU 5 21.086 4.954 -1.365
37 HG2 GLU 5 HG2 GLU 5 22.775 5.128 1.120
38 HG3 GLU 5 HG1 GLU 5 23.175 5.811 -0.455
39 H LEU 6 HN LEU 6 20.241 1.541 0.089
40 HA LEU 6 HA LEU 6 18.191 1.611 -1.986
41 HB2 LEU 6 HB2 LEU 6 20.344 0.213 -2.103
42 HB3 LEU 6 HB1 LEU 6 19.577 -0.839 -0.928
43 HG LEU 6 HG LEU 6 17.980 -0.257 -3.345
44 HD11 LEU 6 HD11 LEU 6 20.452 -1.979 -3.448
45 HD12 LEU 6 HD12 LEU 6 20.180 -0.485 -4.345
46 HD13 LEU 6 HD13 LEU 6 19.198 -1.909 -4.686
47 HD21 LEU 6 HD21 LEU 6 17.554 -2.698 -3.132
48 HD22 LEU 6 HD22 LEU 6 17.131 -1.777 -1.691
49 HD23 LEU 6 HD23 LEU 6 18.620 -2.719 -1.728
50 H GLY 7 HN GLY 7 18.460 1.213 1.349
51 HA2 GLY 7 HA2 GLY 7 16.431 -0.721 1.808
52 HA3 GLY 7 HA1 GLY 7 17.036 0.436 2.981
53 H MET 8 HN MET 8 16.356 2.835 1.811
54 HA MET 8 HA MET 8 13.594 2.984 2.471
55 HB2 MET 8 HB2 MET 8 15.401 5.046 1.197
56 HB3 MET 8 HB1 MET 8 13.800 5.367 1.848
57 HG2 MET 8 HG2 MET 8 16.171 4.386 3.420
58 HG3 MET 8 HG1 MET 8 15.564 6.040 3.390
59 HE1 MET 8 HE1 MET 8 15.622 5.802 6.096
60 HE2 MET 8 HE2 MET 8 16.043 4.091 6.010
61 HE3 MET 8 HE3 MET 8 14.668 4.614 6.983
62 H ALA 9 HN ALA 9 15.372 3.218 -0.593
63 HA ALA 9 HA ALA 9 13.151 3.805 -2.219
64 HB1 ALA 9 HB1 ALA 9 14.560 3.093 -4.088
65 HB2 ALA 9 HB2 ALA 9 15.712 2.389 -2.953
66 HB3 ALA 9 HB3 ALA 9 15.445 4.132 -2.972
67 H PHE 10 HN PHE 10 14.647 0.731 -1.301
68 HA PHE 10 HA PHE 10 12.941 -0.891 -2.885
69 HB2 PHE 10 HB2 PHE 10 15.018 -1.832 -2.263
70 HB3 PHE 10 HB1 PHE 10 14.778 -1.446 -0.565
71 HD1 PHE 10 HD1 PHE 10 14.731 -3.369 0.648
72 HD2 PHE 10 HD2 PHE 10 12.658 -3.249 -3.068
73 HE1 PHE 10 HE1 PHE 10 13.871 -5.637 1.060
74 HE2 PHE 10 HE2 PHE 10 11.796 -5.518 -2.665
75 HZ PHE 10 HZ PHE 10 12.401 -6.716 -0.598
76 H TRP 11 HN TRP 11 12.905 -0.006 0.565
77 HA TRP 11 HA TRP 11 10.656 -1.553 1.243
78 HB2 TRP 11 HB2 TRP 11 12.165 0.655 2.499
79 HB3 TRP 11 HB1 TRP 11 10.504 0.455 3.045
80 HD1 TRP 11 HD1 TRP 11 13.879 -0.741 3.793
81 HE1 TRP 11 HE1 TRP 11 13.809 -2.858 5.254
82 HE3 TRP 11 HE3 TRP 11 8.946 -1.961 3.222
83 HZ2 TRP 11 HZ2 TRP 11 11.918 -4.790 6.057
84 HZ3 TRP 11 HZ3 TRP 11 8.087 -3.961 4.371
85 HH2 TRP 11 HH2 TRP 11 9.544 -5.347 5.757
86 H HIS 12 HN HIS 12 10.939 1.802 0.159
87 HA HIS 12 HA HIS 12 8.182 2.403 0.414
88 HB2 HIS 12 HB2 HIS 12 10.404 3.685 -1.174
89 HB3 HIS 12 HB1 HIS 12 8.759 4.314 -1.161
90 HD1 HIS 12 HD1 HIS 12 10.373 2.972 1.969
91 HD2 HIS 12 HD2 HIS 12 9.422 6.613 0.209
92 HE1 HIS 12 HE1 HIS 12 10.728 4.735 3.748
93 H ASP 13 HN ASP 13 10.163 1.201 -2.252
94 HA ASP 13 HA ASP 13 8.171 1.371 -4.245
95 HB2 ASP 13 HB2 ASP 13 10.548 1.138 -4.795
96 HB3 ASP 13 HB1 ASP 13 10.563 -0.472 -4.080
97 H LEU 14 HN LEU 14 9.137 -1.258 -2.063
98 HA LEU 14 HA LEU 14 7.270 -3.121 -3.159
99 HB2 LEU 14 HB2 LEU 14 7.971 -4.628 -1.524
100 HB3 LEU 14 HB1 LEU 14 9.396 -3.683 -1.892
101 HG LEU 14 HG LEU 14 8.584 -2.277 0.199
102 HD11 LEU 14 HD11 LEU 14 7.465 -3.530 1.853
103 HD12 LEU 14 HD12 LEU 14 7.612 -5.024 0.928
104 HD13 LEU 14 HD13 LEU 14 6.529 -3.749 0.374
105 HD21 LEU 14 HD21 LEU 14 10.063 -3.650 1.582
106 HD22 LEU 14 HD22 LEU 14 10.739 -3.394 -0.025
107 HD23 LEU 14 HD23 LEU 14 9.991 -4.938 0.381
108 H ALA 15 HN ALA 15 7.186 -0.726 -0.648
109 HA ALA 15 HA ALA 15 4.847 -1.665 0.662
110 HB1 ALA 15 HB1 ALA 15 5.971 1.131 0.637
111 HB2 ALA 15 HB2 ALA 15 6.493 -0.162 1.717
112 HB3 ALA 15 HB3 ALA 15 4.842 0.453 1.811
113 H ALA 16 HN ALA 16 5.416 0.511 -2.042
114 HA ALA 16 HA ALA 16 3.029 1.847 -2.219
115 HB1 ALA 16 HB1 ALA 16 4.976 2.205 -3.695
116 HB2 ALA 16 HB2 ALA 16 3.447 2.117 -4.572
117 HB3 ALA 16 HB3 ALA 16 4.547 0.739 -4.575
118 HA PRO 17 HA PRO 17 0.929 -1.765 -4.629
119 HB2 PRO 17 HB2 PRO 17 2.122 -4.201 -4.637
120 HB3 PRO 17 HB1 PRO 17 2.485 -2.964 -5.856
121 HG2 PRO 17 HG2 PRO 17 4.027 -3.707 -3.414
122 HG3 PRO 17 HG1 PRO 17 4.607 -3.359 -5.057
123 HD2 PRO 17 HD2 PRO 17 4.712 -1.535 -3.064
124 HD3 PRO 17 HD1 PRO 17 4.493 -1.088 -4.766
125 H VAL 18 HN VAL 18 2.709 -2.496 -1.696
126 HA VAL 18 HA VAL 18 0.973 -4.502 -0.692
127 HB VAL 18 HB VAL 18 2.915 -2.660 0.709
128 HG11 VAL 18 HG11 VAL 18 1.211 -3.305 2.304
129 HG12 VAL 18 HG12 VAL 18 2.715 -4.158 2.650
130 HG13 VAL 18 HG13 VAL 18 1.389 -5.000 1.847
131 HG21 VAL 18 HG21 VAL 18 4.420 -4.471 0.699
132 HG22 VAL 18 HG22 VAL 18 3.733 -4.431 -0.925
133 HG23 VAL 18 HG23 VAL 18 3.162 -5.620 0.245
134 H ILE 19 HN ILE 19 1.230 -1.025 -0.063
135 HA ILE 19 HA ILE 19 -0.972 -0.904 1.723
136 HB ILE 19 HB ILE 19 0.241 1.341 0.106
137 HG12 ILE 19 HG12 ILE 19 0.940 0.663 2.952
138 HG13 ILE 19 HG11 ILE 19 1.783 -0.107 1.611
139 HG21 ILE 19 HG21 ILE 19 -0.608 2.770 1.911
140 HG22 ILE 19 HG22 ILE 19 -1.356 1.362 2.666
141 HG23 ILE 19 HG23 ILE 19 -1.909 1.914 1.084
142 HD11 ILE 19 HD11 ILE 19 2.985 1.830 2.498
143 HD12 ILE 19 HD12 ILE 19 1.616 2.860 2.077
144 HD13 ILE 19 HD13 ILE 19 2.530 2.042 0.808
145 H ALA 20 HN ALA 20 -0.590 -0.425 -1.743
146 HA ALA 20 HA ALA 20 -3.140 0.678 -2.249
147 HB1 ALA 20 HB1 ALA 20 -1.258 0.821 -3.822
148 HB2 ALA 20 HB2 ALA 20 -2.708 0.159 -4.578
149 HB3 ALA 20 HB3 ALA 20 -1.386 -0.914 -4.115
150 H GLY 21 HN GLY 21 -1.974 -2.644 -2.059
151 HA2 GLY 21 HA2 GLY 21 -4.311 -3.852 -3.139
152 HA3 GLY 21 HA1 GLY 21 -3.083 -4.660 -2.176
153 H ILE 22 HN ILE 22 -3.234 -3.293 0.203
154 HA ILE 22 HA ILE 22 -5.526 -4.470 1.397
155 HB ILE 22 HB ILE 22 -3.652 -2.420 2.589
156 HG12 ILE 22 HG12 ILE 22 -3.537 -5.431 2.845
157 HG13 ILE 22 HG11 ILE 22 -2.570 -4.522 1.689
158 HG21 ILE 22 HG21 ILE 22 -5.521 -4.397 3.892
159 HG22 ILE 22 HG22 ILE 22 -5.731 -2.647 3.833
160 HG23 ILE 22 HG23 ILE 22 -4.387 -3.344 4.739
161 HD11 ILE 22 HD11 ILE 22 -1.488 -3.335 3.514
162 HD12 ILE 22 HD12 ILE 22 -1.299 -5.080 3.684
163 HD13 ILE 22 HD13 ILE 22 -2.472 -4.218 4.681
164 H LEU 23 HN LEU 23 -4.686 -1.218 0.387
165 HA LEU 23 HA LEU 23 -6.833 0.142 1.608
166 HB2 LEU 23 HB2 LEU 23 -4.879 1.322 0.806
167 HB3 LEU 23 HB1 LEU 23 -5.194 0.802 -0.838
168 HG LEU 23 HG LEU 23 -7.294 2.135 -0.812
169 HD11 LEU 23 HD11 LEU 23 -7.609 3.799 0.945
170 HD12 LEU 23 HD12 LEU 23 -6.222 3.149 1.818
171 HD13 LEU 23 HD13 LEU 23 -7.668 2.163 1.600
172 HD21 LEU 23 HD21 LEU 23 -4.745 3.635 -0.226
173 HD22 LEU 23 HD22 LEU 23 -6.181 4.315 -0.993
174 HD23 LEU 23 HD23 LEU 23 -5.271 3.037 -1.800
175 H ALA 24 HN ALA 24 -6.482 -1.511 -1.475
176 HA ALA 24 HA ALA 24 -8.815 -0.609 -2.734
177 HB1 ALA 24 HB1 ALA 24 -7.473 -3.297 -3.008
178 HB2 ALA 24 HB2 ALA 24 -7.043 -1.836 -3.897
179 HB3 ALA 24 HB3 ALA 24 -8.619 -2.587 -4.145
180 H SER 25 HN SER 25 -8.272 -3.344 -0.552
181 HA SER 25 HA SER 25 -10.865 -4.426 -0.704
182 HB2 SER 25 HB2 SER 25 -8.866 -4.546 1.570
183 HB3 SER 25 HB1 SER 25 -10.294 -5.569 1.417
184 HG SER 25 HG SER 25 -8.253 -6.473 0.627
185 H MET 26 HN MET 26 -9.480 -1.834 1.193
186 HA MET 26 HA MET 26 -11.633 -1.554 3.023
187 HB2 MET 26 HB2 MET 26 -9.560 0.462 2.134
188 HB3 MET 26 HB1 MET 26 -10.630 0.652 3.516
189 HG2 MET 26 HG2 MET 26 -9.610 -1.241 4.612
190 HG3 MET 26 HG1 MET 26 -8.597 -1.544 3.204
191 HE1 MET 26 HE1 MET 26 -9.400 0.979 6.122
192 HE2 MET 26 HE2 MET 26 -9.532 1.979 4.675
193 HE3 MET 26 HE3 MET 26 -8.213 2.246 5.814
194 H ILE 27 HN ILE 27 -10.808 0.034 -0.034
195 HA ILE 27 HA ILE 27 -12.917 1.891 -0.053
196 HB ILE 27 HB ILE 27 -11.564 0.618 -2.438
197 HG12 ILE 27 HG12 ILE 27 -10.920 3.209 -1.013
198 HG13 ILE 27 HG11 ILE 27 -10.008 1.716 -0.827
199 HG21 ILE 27 HG21 ILE 27 -13.012 3.256 -2.249
200 HG22 ILE 27 HG22 ILE 27 -13.714 1.780 -2.910
201 HG23 ILE 27 HG23 ILE 27 -12.318 2.521 -3.694
202 HD11 ILE 27 HD11 ILE 27 -9.462 1.781 -3.221
203 HD12 ILE 27 HD12 ILE 27 -8.880 3.200 -2.352
204 HD13 ILE 27 HD13 ILE 27 -10.325 3.313 -3.356
205 H VAL 28 HN VAL 28 -12.685 -1.425 -1.284
206 HA VAL 28 HA VAL 28 -15.232 -1.465 -2.517
207 HB VAL 28 HB VAL 28 -13.592 -3.768 -1.443
208 HG11 VAL 28 HG11 VAL 28 -15.878 -4.474 -1.642
209 HG12 VAL 28 HG12 VAL 28 -14.969 -5.142 -2.997
210 HG13 VAL 28 HG13 VAL 28 -16.013 -3.742 -3.240
211 HG21 VAL 28 HG21 VAL 28 -13.868 -2.677 -4.243
212 HG22 VAL 28 HG22 VAL 28 -12.912 -4.080 -3.764
213 HG23 VAL 28 HG23 VAL 28 -12.467 -2.472 -3.192
214 H ASN 29 HN ASN 29 -14.121 -2.592 0.669
215 HA ASN 29 HA ASN 29 -16.557 -3.584 1.598
216 HB2 ASN 29 HB2 ASN 29 -14.160 -2.442 3.018
217 HB3 ASN 29 HB1 ASN 29 -15.564 -3.025 3.906
218 HD21 ASN 29 HD21 ASN 29 -14.454 -4.443 0.913
219 HD22 ASN 29 HD22 ASN 29 -13.911 -5.933 1.596
220 H TRP 30 HN TRP 30 -15.263 -0.314 1.599
221 HA TRP 30 HA TRP 30 -17.291 0.822 3.235
222 HB2 TRP 30 HB2 TRP 30 -15.346 2.109 3.131
223 HB3 TRP 30 HB1 TRP 30 -15.200 1.926 1.387
224 HD1 TRP 30 HD1 TRP 30 -17.849 3.550 3.740
225 HE1 TRP 30 HE1 TRP 30 -18.510 5.819 2.719
226 HE3 TRP 30 HE3 TRP 30 -14.901 3.448 -0.433
227 HZ2 TRP 30 HZ2 TRP 30 -17.868 7.358 0.440
228 HZ3 TRP 30 HZ3 TRP 30 -14.984 5.354 -1.985
229 HH2 TRP 30 HH2 TRP 30 -16.439 7.270 -1.556
230 H LEU 31 HN LEU 31 -16.778 0.745 -0.277
231 HA LEU 31 HA LEU 31 -19.098 2.168 -0.963
232 HB2 LEU 31 HB2 LEU 31 -17.207 0.385 -2.402
233 HB3 LEU 31 HB1 LEU 31 -18.745 0.737 -3.170
234 HG LEU 31 HG LEU 31 -16.878 2.891 -2.195
235 HD11 LEU 31 HD11 LEU 31 -16.174 3.133 -4.527
236 HD12 LEU 31 HD12 LEU 31 -17.096 1.691 -4.950
237 HD13 LEU 31 HD13 LEU 31 -15.714 1.566 -3.862
238 HD21 LEU 31 HD21 LEU 31 -18.183 4.306 -3.685
239 HD22 LEU 31 HD22 LEU 31 -19.223 3.530 -2.491
240 HD23 LEU 31 HD23 LEU 31 -19.178 2.924 -4.146
241 H ASN 32 HN ASN 32 -18.589 -1.168 -0.115
242 HA ASN 32 HA ASN 32 -21.032 -2.157 -1.202
243 HB2 ASN 32 HB2 ASN 32 -19.173 -3.261 0.910
244 HB3 ASN 32 HB1 ASN 32 -20.595 -4.119 0.324
245 HD21 ASN 32 HD21 ASN 32 -17.820 -4.892 0.170
246 HD22 ASN 32 HD22 ASN 32 -17.456 -5.088 -1.507
247 H LYS 33 HN LYS 33 -20.299 -0.237 1.478
248 HA LYS 33 HA LYS 33 -22.602 -1.080 3.041
249 HB2 LYS 33 HB2 LYS 33 -20.519 -0.511 4.206
250 HB3 LYS 33 HB1 LYS 33 -20.580 1.114 3.537
251 HG2 LYS 33 HG2 LYS 33 -22.938 0.212 5.080
252 HG3 LYS 33 HG1 LYS 33 -21.451 0.516 5.981
253 HD2 LYS 33 HD2 LYS 33 -21.346 2.769 5.171
254 HD3 LYS 33 HD1 LYS 33 -22.685 2.484 4.058
255 HE2 LYS 33 HE2 LYS 33 -22.868 2.361 7.066
256 HE3 LYS 33 HE1 LYS 33 -23.365 3.732 6.077
257 HZ1 LYS 33 HZ1 LYS 33 -24.515 0.997 5.957
258 HZ2 LYS 33 HZ2 LYS 33 -24.984 2.299 4.984
259 HZ3 LYS 33 HZ3 LYS 33 -25.250 2.353 6.654
260 H ARG 34 HN ARG 34 -21.466 1.854 1.378
261 HA ARG 34 HA ARG 34 -23.929 3.249 1.823
262 HB2 ARG 34 HB2 ARG 34 -22.965 4.939 0.266
263 HB3 ARG 34 HB1 ARG 34 -21.919 4.548 1.623
264 HG2 ARG 34 HG2 ARG 34 -20.542 3.153 0.211
265 HG3 ARG 34 HG1 ARG 34 -21.631 3.416 -1.153
266 HD2 ARG 34 HD2 ARG 34 -20.055 5.556 0.273
267 HD3 ARG 34 HD1 ARG 34 -19.628 4.835 -1.278
268 HE ARG 34 HE ARG 34 -22.261 5.948 -1.278
269 HH11 ARG 34 HH11 ARG 34 -18.877 6.724 -1.592
270 HH12 ARG 34 HH12 ARG 34 -19.160 8.147 -2.538
271 HH21 ARG 34 HH21 ARG 34 -22.641 7.819 -2.521
272 HH22 ARG 34 HH22 ARG 34 -21.300 8.772 -3.063
273 H LYS 35 HN LYS 35 -22.450 1.583 -0.922
274 HA LYS 35 HA LYS 35 -23.278 0.857 -2.911
275 HB2 LYS 35 HB2 LYS 35 -25.919 0.807 -1.444
276 HB3 LYS 35 HB1 LYS 35 -25.486 -0.132 -2.867
277 HG2 LYS 35 HG2 LYS 35 -23.935 -1.443 -1.630
278 HG3 LYS 35 HG1 LYS 35 -24.074 -0.386 -0.224
279 HD2 LYS 35 HD2 LYS 35 -25.370 -2.311 0.252
280 HD3 LYS 35 HD1 LYS 35 -26.511 -1.022 -0.134
281 HE2 LYS 35 HE2 LYS 35 -26.729 -1.896 -2.409
282 HE3 LYS 35 HE1 LYS 35 -25.584 -3.180 -2.027
283 HZ1 LYS 35 HZ1 LYS 35 -28.252 -2.776 -0.789
284 HZ2 LYS 35 HZ2 LYS 35 -27.140 -3.958 -0.313
285 HZ3 LYS 35 HZ3 LYS 35 -27.816 -4.010 -1.862
Start of MODEL 14
1 H1 MET 1 HT1 MET 1 27.564 0.314 5.080
2 H2 MET 1 HT2 MET 1 27.042 1.539 4.037
3 H3 MET 1 HT3 MET 1 28.313 0.521 3.578
4 HA MET 1 HA MET 1 26.839 -1.372 3.536
5 HB2 MET 1 HB2 MET 1 24.406 -1.003 3.748
6 HB3 MET 1 HB1 MET 1 25.265 -0.650 5.241
7 HG2 MET 1 HG2 MET 1 25.173 1.748 4.693
8 HG3 MET 1 HG1 MET 1 24.244 1.359 3.247
9 HE1 MET 1 HE1 MET 1 24.013 -0.313 6.816
10 HE2 MET 1 HE2 MET 1 22.748 0.666 7.558
11 HE3 MET 1 HE3 MET 1 24.305 1.392 7.158
12 H THR 2 HN THR 2 24.821 -1.473 1.856
13 HA THR 2 HA THR 2 25.724 0.108 -0.455
14 HB THR 2 HB THR 2 24.042 -2.044 -1.267
15 HG1 THR 2 HG1 THR 2 26.274 -3.111 0.062
16 HG21 THR 2 HG21 THR 2 27.022 -1.616 -1.520
17 HG22 THR 2 HG22 THR 2 25.787 -1.025 -2.631
18 HG23 THR 2 HG23 THR 2 26.070 -2.759 -2.467
19 H PHE 3 HN PHE 3 24.350 1.384 -1.533
20 HA PHE 3 HA PHE 3 21.877 2.112 -0.400
21 HB2 PHE 3 HB2 PHE 3 23.477 3.429 -1.990
22 HB3 PHE 3 HB1 PHE 3 22.551 2.659 -3.275
23 HD1 PHE 3 HD1 PHE 3 21.839 4.368 -0.043
24 HD2 PHE 3 HD2 PHE 3 20.882 3.943 -4.165
25 HE1 PHE 3 HE1 PHE 3 20.109 6.108 0.184
26 HE2 PHE 3 HE2 PHE 3 19.152 5.682 -3.950
27 HZ PHE 3 HZ PHE 3 18.763 6.767 -1.772
28 H ALA 4 HN ALA 4 22.766 -0.122 -2.949
29 HA ALA 4 HA ALA 4 20.165 -0.541 -3.990
30 HB1 ALA 4 HB1 ALA 4 22.181 -1.150 -5.230
31 HB2 ALA 4 HB2 ALA 4 21.108 -2.536 -5.035
32 HB3 ALA 4 HB3 ALA 4 22.550 -2.389 -4.030
33 H GLU 5 HN GLU 5 22.071 -2.167 -1.496
34 HA GLU 5 HA GLU 5 20.260 -4.255 -0.965
35 HB2 GLU 5 HB2 GLU 5 22.358 -2.933 0.758
36 HB3 GLU 5 HB1 GLU 5 21.440 -4.340 1.274
37 HG2 GLU 5 HG2 GLU 5 23.263 -4.190 -1.116
38 HG3 GLU 5 HG1 GLU 5 23.618 -4.979 0.420
39 H LEU 6 HN LEU 6 20.521 -0.963 0.249
40 HA LEU 6 HA LEU 6 18.368 -1.334 2.147
41 HB2 LEU 6 HB2 LEU 6 20.355 0.214 2.481
42 HB3 LEU 6 HB1 LEU 6 19.622 1.264 1.281
43 HG LEU 6 HG LEU 6 17.857 0.507 3.519
44 HD11 LEU 6 HD11 LEU 6 19.949 0.771 4.728
45 HD12 LEU 6 HD12 LEU 6 18.874 2.133 5.046
46 HD13 LEU 6 HD13 LEU 6 20.231 2.320 3.935
47 HD21 LEU 6 HD21 LEU 6 18.544 3.181 2.310
48 HD22 LEU 6 HD22 LEU 6 17.149 2.785 3.312
49 HD23 LEU 6 HD23 LEU 6 17.291 2.106 1.691
50 H GLY 7 HN GLY 7 18.680 -0.665 -1.143
51 HA2 GLY 7 HA2 GLY 7 16.507 1.117 -1.529
52 HA3 GLY 7 HA1 GLY 7 17.232 0.094 -2.757
53 H MET 8 HN MET 8 16.720 -2.424 -1.796
54 HA MET 8 HA MET 8 14.013 -2.766 -2.556
55 HB2 MET 8 HB2 MET 8 15.979 -4.705 -1.328
56 HB3 MET 8 HB1 MET 8 14.406 -5.159 -1.972
57 HG2 MET 8 HG2 MET 8 16.621 -3.873 -3.551
58 HG3 MET 8 HG1 MET 8 16.240 -5.594 -3.543
59 HE1 MET 8 HE1 MET 8 15.083 -4.261 -7.092
60 HE2 MET 8 HE2 MET 8 16.260 -5.249 -6.227
61 HE3 MET 8 HE3 MET 8 16.358 -3.489 -6.149
62 H ALA 9 HN ALA 9 15.664 -3.140 0.578
63 HA ALA 9 HA ALA 9 13.424 -3.924 2.062
64 HB1 ALA 9 HB1 ALA 9 15.835 -2.371 2.997
65 HB2 ALA 9 HB2 ALA 9 15.707 -4.127 2.901
66 HB3 ALA 9 HB3 ALA 9 14.694 -3.230 4.031
67 H PHE 10 HN PHE 10 14.733 -0.710 1.379
68 HA PHE 10 HA PHE 10 12.862 0.711 2.969
69 HB2 PHE 10 HB2 PHE 10 14.879 1.830 2.487
70 HB3 PHE 10 HB1 PHE 10 14.756 1.495 0.766
71 HD1 PHE 10 HD1 PHE 10 14.630 3.453 -0.383
72 HD2 PHE 10 HD2 PHE 10 12.395 3.045 3.215
73 HE1 PHE 10 HE1 PHE 10 13.628 5.669 -0.758
74 HE2 PHE 10 HE2 PHE 10 11.390 5.261 2.848
75 HZ PHE 10 HZ PHE 10 12.007 6.576 0.859
76 H TRP 11 HN TRP 11 13.000 -0.006 -0.517
77 HA TRP 11 HA TRP 11 10.686 1.426 -1.219
78 HB2 TRP 11 HB2 TRP 11 12.353 -0.665 -2.491
79 HB3 TRP 11 HB1 TRP 11 10.710 -0.501 -3.100
80 HD1 TRP 11 HD1 TRP 11 14.076 0.869 -3.603
81 HE1 TRP 11 HE1 TRP 11 13.991 3.026 -5.003
82 HE3 TRP 11 HE3 TRP 11 9.060 1.818 -3.325
83 HZ2 TRP 11 HZ2 TRP 11 12.052 4.884 -5.875
84 HZ3 TRP 11 HZ3 TRP 11 8.170 3.805 -4.471
85 HH2 TRP 11 HH2 TRP 11 9.638 5.306 -5.718
86 H HIS 12 HN HIS 12 11.155 -1.914 -0.183
87 HA HIS 12 HA HIS 12 8.473 -2.731 -0.593
88 HB2 HIS 12 HB2 HIS 12 10.709 -3.835 1.106
89 HB3 HIS 12 HB1 HIS 12 9.122 -4.592 1.026
90 HD1 HIS 12 HD1 HIS 12 10.704 -3.141 -2.061
91 HD2 HIS 12 HD2 HIS 12 10.082 -6.839 -0.271
92 HE1 HIS 12 HE1 HIS 12 11.288 -4.880 -3.802
93 H ASP 13 HN ASP 13 10.209 -1.402 2.179
94 HA ASP 13 HA ASP 13 8.116 -1.730 4.050
95 HB2 ASP 13 HB2 ASP 13 10.410 -1.400 4.784
96 HB3 ASP 13 HB1 ASP 13 10.445 0.197 4.043
97 H LEU 14 HN LEU 14 9.056 0.992 1.963
98 HA LEU 14 HA LEU 14 7.031 2.721 2.996
99 HB2 LEU 14 HB2 LEU 14 7.715 4.302 1.422
100 HB3 LEU 14 HB1 LEU 14 9.174 3.443 1.852
101 HG LEU 14 HG LEU 14 8.560 2.029 -0.305
102 HD11 LEU 14 HD11 LEU 14 7.490 3.298 -2.005
103 HD12 LEU 14 HD12 LEU 14 7.437 4.736 -0.984
104 HD13 LEU 14 HD13 LEU 14 6.436 3.339 -0.591
105 HD21 LEU 14 HD21 LEU 14 10.641 3.201 -0.010
106 HD22 LEU 14 HD22 LEU 14 9.850 4.754 -0.273
107 HD23 LEU 14 HD23 LEU 14 9.986 3.599 -1.597
108 H ALA 15 HN ALA 15 7.210 0.367 0.456
109 HA ALA 15 HA ALA 15 4.880 1.181 -0.948
110 HB1 ALA 15 HB1 ALA 15 6.655 -0.234 -1.931
111 HB2 ALA 15 HB2 ALA 15 5.038 -0.919 -2.112
112 HB3 ALA 15 HB3 ALA 15 6.135 -1.559 -0.887
113 H ALA 16 HN ALA 16 5.459 -0.963 1.775
114 HA ALA 16 HA ALA 16 3.153 -2.439 1.865
115 HB1 ALA 16 HB1 ALA 16 4.940 -2.817 3.424
116 HB2 ALA 16 HB2 ALA 16 3.452 -2.512 4.322
117 HB3 ALA 16 HB3 ALA 16 4.671 -1.247 4.179
118 HA PRO 17 HA PRO 17 0.739 1.039 4.173
119 HB2 PRO 17 HB2 PRO 17 1.782 3.548 4.217
120 HB3 PRO 17 HB1 PRO 17 2.147 2.340 5.465
121 HG2 PRO 17 HG2 PRO 17 3.776 3.162 3.112
122 HG3 PRO 17 HG1 PRO 17 4.284 2.844 4.783
123 HD2 PRO 17 HD2 PRO 17 4.600 1.033 2.798
124 HD3 PRO 17 HD1 PRO 17 4.317 0.571 4.487
125 H VAL 18 HN VAL 18 2.581 1.839 1.301
126 HA VAL 18 HA VAL 18 0.767 3.736 0.215
127 HB VAL 18 HB VAL 18 2.846 1.995 -1.120
128 HG11 VAL 18 HG11 VAL 18 1.259 4.280 -2.287
129 HG12 VAL 18 HG12 VAL 18 1.154 2.583 -2.756
130 HG13 VAL 18 HG13 VAL 18 2.635 3.491 -3.059
131 HG21 VAL 18 HG21 VAL 18 2.948 4.959 -0.628
132 HG22 VAL 18 HG22 VAL 18 4.270 3.872 -1.058
133 HG23 VAL 18 HG23 VAL 18 3.543 3.786 0.546
134 H ILE 19 HN ILE 19 1.256 0.275 -0.345
135 HA ILE 19 HA ILE 19 -0.874 -0.011 -2.199
136 HB ILE 19 HB ILE 19 0.434 -2.144 -0.506
137 HG12 ILE 19 HG12 ILE 19 1.144 -1.481 -3.352
138 HG13 ILE 19 HG11 ILE 19 1.910 -0.634 -2.012
139 HG21 ILE 19 HG21 ILE 19 -1.650 -2.879 -1.510
140 HG22 ILE 19 HG22 ILE 19 -0.280 -3.660 -2.300
141 HG23 ILE 19 HG23 ILE 19 -1.107 -2.318 -3.091
142 HD11 ILE 19 HD11 ILE 19 2.798 -2.698 -1.159
143 HD12 ILE 19 HD12 ILE 19 3.236 -2.522 -2.858
144 HD13 ILE 19 HD13 ILE 19 1.935 -3.617 -2.392
145 H ALA 20 HN ALA 20 -0.567 -0.449 1.287
146 HA ALA 20 HA ALA 20 -3.118 -1.626 1.688
147 HB1 ALA 20 HB1 ALA 20 -2.754 -1.150 4.054
148 HB2 ALA 20 HB2 ALA 20 -1.389 -0.111 3.642
149 HB3 ALA 20 HB3 ALA 20 -1.308 -1.842 3.317
150 H GLY 21 HN GLY 21 -1.958 1.691 1.584
151 HA2 GLY 21 HA2 GLY 21 -4.291 2.902 2.661
152 HA3 GLY 21 HA1 GLY 21 -3.063 3.707 1.695
153 H ILE 22 HN ILE 22 -3.228 2.337 -0.685
154 HA ILE 22 HA ILE 22 -5.512 3.534 -1.873
155 HB ILE 22 HB ILE 22 -3.646 1.474 -3.059
156 HG12 ILE 22 HG12 ILE 22 -3.550 4.488 -3.299
157 HG13 ILE 22 HG11 ILE 22 -2.549 3.561 -2.187
158 HG21 ILE 22 HG21 ILE 22 -5.736 1.689 -4.297
159 HG22 ILE 22 HG22 ILE 22 -4.390 2.362 -5.216
160 HG23 ILE 22 HG23 ILE 22 -5.515 3.436 -4.385
161 HD11 ILE 22 HD11 ILE 22 -2.523 3.369 -5.189
162 HD12 ILE 22 HD12 ILE 22 -1.547 2.390 -4.095
163 HD13 ILE 22 HD13 ILE 22 -1.304 4.135 -4.171
164 H LEU 23 HN LEU 23 -4.683 0.243 -0.934
165 HA LEU 23 HA LEU 23 -6.887 -1.051 -2.122
166 HB2 LEU 23 HB2 LEU 23 -4.972 -2.318 -1.398
167 HB3 LEU 23 HB1 LEU 23 -5.184 -1.782 0.258
168 HG LEU 23 HG LEU 23 -7.313 -3.042 0.369
169 HD11 LEU 23 HD11 LEU 23 -6.498 -4.030 -2.360
170 HD12 LEU 23 HD12 LEU 23 -7.896 -3.021 -1.989
171 HD13 LEU 23 HD13 LEU 23 -7.818 -4.676 -1.384
172 HD21 LEU 23 HD21 LEU 23 -5.217 -4.035 1.153
173 HD22 LEU 23 HD22 LEU 23 -4.928 -4.690 -0.459
174 HD23 LEU 23 HD23 LEU 23 -6.305 -5.252 0.487
175 H ALA 24 HN ALA 24 -6.412 0.486 1.006
176 HA ALA 24 HA ALA 24 -8.788 -0.357 2.242
177 HB1 ALA 24 HB1 ALA 24 -6.898 0.676 3.439
178 HB2 ALA 24 HB2 ALA 24 -8.433 1.465 3.798
179 HB3 ALA 24 HB3 ALA 24 -7.291 2.223 2.689
180 H SER 25 HN SER 25 -8.055 2.481 0.255
181 HA SER 25 HA SER 25 -10.520 3.786 0.522
182 HB2 SER 25 HB2 SER 25 -8.593 3.815 -1.815
183 HB3 SER 25 HB1 SER 25 -9.902 4.970 -1.562
184 HG SER 25 HG SER 25 -7.507 5.244 -0.703
185 H MET 26 HN MET 26 -9.461 1.233 -1.660
186 HA MET 26 HA MET 26 -11.753 1.299 -3.333
187 HB2 MET 26 HB2 MET 26 -9.793 -0.941 -2.808
188 HB3 MET 26 HB1 MET 26 -10.994 -0.934 -4.092
189 HG2 MET 26 HG2 MET 26 -9.901 1.178 -4.933
190 HG3 MET 26 HG1 MET 26 -8.598 0.849 -3.792
191 HE1 MET 26 HE1 MET 26 -8.532 -2.337 -3.863
192 HE2 MET 26 HE2 MET 26 -7.061 -1.365 -3.910
193 HE3 MET 26 HE3 MET 26 -7.313 -2.642 -5.100
194 H ILE 27 HN ILE 27 -10.919 -0.470 -0.402
195 HA ILE 27 HA ILE 27 -13.144 -2.220 -0.417
196 HB ILE 27 HB ILE 27 -11.482 -1.243 1.911
197 HG12 ILE 27 HG12 ILE 27 -11.344 -3.836 0.356
198 HG13 ILE 27 HG11 ILE 27 -10.251 -2.476 0.128
199 HG21 ILE 27 HG21 ILE 27 -13.617 -2.062 2.701
200 HG22 ILE 27 HG22 ILE 27 -12.352 -3.227 3.093
201 HG23 ILE 27 HG23 ILE 27 -13.441 -3.530 1.740
202 HD11 ILE 27 HD11 ILE 27 -9.247 -4.212 1.501
203 HD12 ILE 27 HD12 ILE 27 -10.570 -4.071 2.659
204 HD13 ILE 27 HD13 ILE 27 -9.461 -2.720 2.417
205 H VAL 28 HN VAL 28 -12.587 0.953 1.054
206 HA VAL 28 HA VAL 28 -15.048 1.090 2.443
207 HB VAL 28 HB VAL 28 -13.291 3.345 1.457
208 HG11 VAL 28 HG11 VAL 28 -15.488 3.343 3.524
209 HG12 VAL 28 HG12 VAL 28 -15.535 4.136 1.950
210 HG13 VAL 28 HG13 VAL 28 -14.404 4.691 3.184
211 HG21 VAL 28 HG21 VAL 28 -12.124 1.803 2.949
212 HG22 VAL 28 HG22 VAL 28 -13.413 1.971 4.140
213 HG23 VAL 28 HG23 VAL 28 -12.401 3.357 3.734
214 H ASN 29 HN ASN 29 -14.035 2.208 -0.763
215 HA ASN 29 HA ASN 29 -16.360 3.595 -1.460
216 HB2 ASN 29 HB2 ASN 29 -14.294 2.150 -3.113
217 HB3 ASN 29 HB1 ASN 29 -15.642 3.012 -3.851
218 HD21 ASN 29 HD21 ASN 29 -12.779 3.515 -4.032
219 HD22 ASN 29 HD22 ASN 29 -12.538 5.133 -3.476
220 H TRP 30 HN TRP 30 -15.542 0.180 -1.720
221 HA TRP 30 HA TRP 30 -17.862 -0.585 -3.167
222 HB2 TRP 30 HB2 TRP 30 -16.131 -2.121 -3.348
223 HB3 TRP 30 HB1 TRP 30 -15.729 -2.025 -1.638
224 HD1 TRP 30 HD1 TRP 30 -18.800 -3.284 -3.683
225 HE1 TRP 30 HE1 TRP 30 -19.588 -5.491 -2.617
226 HE3 TRP 30 HE3 TRP 30 -15.432 -3.581 0.148
227 HZ2 TRP 30 HZ2 TRP 30 -18.875 -7.139 -0.437
228 HZ3 TRP 30 HZ3 TRP 30 -15.552 -5.498 1.683
229 HH2 TRP 30 HH2 TRP 30 -17.240 -7.242 1.394
230 H LEU 31 HN LEU 31 -17.013 -0.725 0.284
231 HA LEU 31 HA LEU 31 -19.411 -1.913 1.147
232 HB2 LEU 31 HB2 LEU 31 -17.281 -0.314 2.506
233 HB3 LEU 31 HB1 LEU 31 -18.741 -0.747 3.373
234 HG LEU 31 HG LEU 31 -16.956 -2.775 2.038
235 HD11 LEU 31 HD11 LEU 31 -16.080 -3.240 4.278
236 HD12 LEU 31 HD12 LEU 31 -16.987 -1.867 4.911
237 HD13 LEU 31 HD13 LEU 31 -15.688 -1.604 3.749
238 HD21 LEU 31 HD21 LEU 31 -19.088 -3.055 4.154
239 HD22 LEU 31 HD22 LEU 31 -18.138 -4.361 3.444
240 HD23 LEU 31 HD23 LEU 31 -19.281 -3.460 2.449
241 H ASN 32 HN ASN 32 -18.554 1.409 0.476
242 HA ASN 32 HA ASN 32 -20.777 2.600 1.787
243 HB2 ASN 32 HB2 ASN 32 -18.862 3.555 -0.331
244 HB3 ASN 32 HB1 ASN 32 -20.218 4.548 0.192
245 HD21 ASN 32 HD21 ASN 32 -18.573 2.400 2.377
246 HD22 ASN 32 HD22 ASN 32 -17.793 3.625 3.311
247 H LYS 33 HN LYS 33 -20.494 0.768 -1.027
248 HA LYS 33 HA LYS 33 -22.820 1.949 -2.323
249 HB2 LYS 33 HB2 LYS 33 -20.949 1.292 -3.741
250 HB3 LYS 33 HB1 LYS 33 -21.030 -0.353 -3.129
251 HG2 LYS 33 HG2 LYS 33 -23.494 0.711 -4.355
252 HG3 LYS 33 HG1 LYS 33 -22.132 0.418 -5.438
253 HD2 LYS 33 HD2 LYS 33 -21.985 -1.886 -4.631
254 HD3 LYS 33 HD1 LYS 33 -23.336 -1.593 -3.535
255 HE2 LYS 33 HE2 LYS 33 -23.441 -1.412 -6.544
256 HE3 LYS 33 HE1 LYS 33 -24.042 -2.758 -5.577
257 HZ1 LYS 33 HZ1 LYS 33 -25.039 0.038 -5.468
258 HZ2 LYS 33 HZ2 LYS 33 -25.611 -1.243 -4.524
259 HZ3 LYS 33 HZ3 LYS 33 -25.828 -1.267 -6.201
260 H ARG 34 HN ARG 34 -21.838 -1.009 -0.677
261 HA ARG 34 HA ARG 34 -24.501 -2.153 -0.958
262 HB2 ARG 34 HB2 ARG 34 -23.540 -4.126 0.142
263 HB3 ARG 34 HB1 ARG 34 -22.580 -3.632 -1.245
264 HG2 ARG 34 HG2 ARG 34 -20.908 -2.670 0.168
265 HG3 ARG 34 HG1 ARG 34 -21.912 -2.912 1.600
266 HD2 ARG 34 HD2 ARG 34 -20.803 -5.104 -0.152
267 HD3 ARG 34 HD1 ARG 34 -20.134 -4.603 1.400
268 HE ARG 34 HE ARG 34 -22.907 -5.370 1.505
269 HH11 ARG 34 HH11 ARG 34 -19.607 -6.472 1.698
270 HH12 ARG 34 HH12 ARG 34 -19.998 -7.889 2.614
271 HH21 ARG 34 HH21 ARG 34 -23.431 -7.232 2.711
272 HH22 ARG 34 HH22 ARG 34 -22.172 -8.322 3.190
273 H LYS 35 HN LYS 35 -23.816 0.274 0.721
274 HA LYS 35 HA LYS 35 -23.933 -0.288 3.441
275 HB2 LYS 35 HB2 LYS 35 -25.011 2.006 3.614
276 HB3 LYS 35 HB1 LYS 35 -23.453 1.936 2.804
277 HG2 LYS 35 HG2 LYS 35 -24.646 1.930 0.628
278 HG3 LYS 35 HG1 LYS 35 -26.160 2.155 1.505
279 HD2 LYS 35 HD2 LYS 35 -23.795 4.024 1.637
280 HD3 LYS 35 HD1 LYS 35 -25.218 4.269 0.622
281 HE2 LYS 35 HE2 LYS 35 -26.628 4.302 2.634
282 HE3 LYS 35 HE1 LYS 35 -25.192 4.088 3.635
283 HZ1 LYS 35 HZ1 LYS 35 -24.343 6.194 2.774
284 HZ2 LYS 35 HZ2 LYS 35 -25.832 6.401 3.549
285 HZ3 LYS 35 HZ3 LYS 35 -25.753 6.403 1.860
Start of MODEL 15
1 H1 MET 1 HT1 MET 1 28.253 -0.341 -3.310
2 H2 MET 1 HT2 MET 1 27.804 -1.328 -4.608
3 H3 MET 1 HT3 MET 1 27.953 -1.987 -3.057
4 HA MET 1 HA MET 1 25.967 0.055 -3.861
5 HB2 MET 1 HB2 MET 1 25.613 -2.211 -4.850
6 HB3 MET 1 HB1 MET 1 25.534 -2.860 -3.218
7 HG2 MET 1 HG2 MET 1 23.597 -1.412 -2.763
8 HG3 MET 1 HG1 MET 1 23.659 -0.843 -4.431
9 HE1 MET 1 HE1 MET 1 22.925 -5.264 -3.360
10 HE2 MET 1 HE2 MET 1 23.134 -4.021 -2.126
11 HE3 MET 1 HE3 MET 1 24.471 -4.427 -3.202
12 H THR 2 HN THR 2 24.526 0.676 -2.259
13 HA THR 2 HA THR 2 25.430 0.102 0.483
14 HB THR 2 HB THR 2 23.922 2.330 0.780
15 HG1 THR 2 HG1 THR 2 24.792 3.678 -1.066
16 HG21 THR 2 HG21 THR 2 26.182 2.032 1.641
17 HG22 THR 2 HG22 THR 2 26.046 3.585 0.815
18 HG23 THR 2 HG23 THR 2 26.846 2.230 0.019
19 H PHE 3 HN PHE 3 24.115 -1.035 1.717
20 HA PHE 3 HA PHE 3 21.573 -1.918 0.882
21 HB2 PHE 3 HB2 PHE 3 23.280 -2.880 2.653
22 HB3 PHE 3 HB1 PHE 3 22.324 -1.920 3.777
23 HD1 PHE 3 HD1 PHE 3 20.609 -2.998 4.845
24 HD2 PHE 3 HD2 PHE 3 21.763 -4.297 0.962
25 HE1 PHE 3 HE1 PHE 3 18.939 -4.803 4.957
26 HE2 PHE 3 HE2 PHE 3 20.097 -6.104 1.065
27 HZ PHE 3 HZ PHE 3 18.681 -6.359 3.065
28 H ALA 4 HN ALA 4 22.619 0.742 2.910
29 HA ALA 4 HA ALA 4 20.059 1.384 3.961
30 HB1 ALA 4 HB1 ALA 4 22.148 2.117 5.021
31 HB2 ALA 4 HB2 ALA 4 21.078 3.475 4.670
32 HB3 ALA 4 HB3 ALA 4 22.475 3.163 3.639
33 H GLU 5 HN GLU 5 21.929 2.555 1.188
34 HA GLU 5 HA GLU 5 20.072 4.542 0.402
35 HB2 GLU 5 HB2 GLU 5 22.200 3.086 -1.179
36 HB3 GLU 5 HB1 GLU 5 21.285 4.462 -1.785
37 HG2 GLU 5 HG2 GLU 5 23.138 4.453 0.585
38 HG3 GLU 5 HG1 GLU 5 23.453 5.170 -0.994
39 H LEU 6 HN LEU 6 20.394 1.120 -0.297
40 HA LEU 6 HA LEU 6 18.273 1.192 -2.279
41 HB2 LEU 6 HB2 LEU 6 20.324 -0.335 -2.366
42 HB3 LEU 6 HB1 LEU 6 19.550 -1.261 -1.092
43 HG LEU 6 HG LEU 6 17.870 -0.768 -3.464
44 HD11 LEU 6 HD11 LEU 6 20.030 -1.122 -4.541
45 HD12 LEU 6 HD12 LEU 6 18.959 -2.501 -4.792
46 HD13 LEU 6 HD13 LEU 6 20.260 -2.600 -3.605
47 HD21 LEU 6 HD21 LEU 6 18.539 -3.232 -1.858
48 HD22 LEU 6 HD22 LEU 6 17.273 -3.098 -3.078
49 HD23 LEU 6 HD23 LEU 6 17.161 -2.167 -1.585
50 H GLY 7 HN GLY 7 18.576 0.951 1.070
51 HA2 GLY 7 HA2 GLY 7 16.447 -0.821 1.671
52 HA3 GLY 7 HA1 GLY 7 17.130 0.376 2.760
53 H MET 8 HN MET 8 16.572 2.735 1.530
54 HA MET 8 HA MET 8 13.834 3.090 2.157
55 HB2 MET 8 HB2 MET 8 15.753 4.935 0.719
56 HB3 MET 8 HB1 MET 8 14.176 5.405 1.342
57 HG2 MET 8 HG2 MET 8 16.450 4.365 3.016
58 HG3 MET 8 HG1 MET 8 16.042 6.066 2.806
59 HE1 MET 8 HE1 MET 8 16.335 4.758 5.655
60 HE2 MET 8 HE2 MET 8 14.914 5.387 6.489
61 HE3 MET 8 HE3 MET 8 15.849 6.438 5.425
62 H ALA 9 HN ALA 9 15.592 3.022 -0.928
63 HA ALA 9 HA ALA 9 13.411 3.606 -2.593
64 HB1 ALA 9 HB1 ALA 9 14.758 2.683 -4.399
65 HB2 ALA 9 HB2 ALA 9 15.843 1.937 -3.225
66 HB3 ALA 9 HB3 ALA 9 15.741 3.694 -3.340
67 H PHE 10 HN PHE 10 14.705 0.509 -1.465
68 HA PHE 10 HA PHE 10 12.867 -1.097 -2.914
69 HB2 PHE 10 HB2 PHE 10 14.881 -2.142 -2.274
70 HB3 PHE 10 HB1 PHE 10 14.727 -1.613 -0.605
71 HD1 PHE 10 HD1 PHE 10 14.616 -3.446 0.737
72 HD2 PHE 10 HD2 PHE 10 12.376 -3.422 -2.881
73 HE1 PHE 10 HE1 PHE 10 13.611 -5.606 1.350
74 HE2 PHE 10 HE2 PHE 10 11.370 -5.585 -2.278
75 HZ PHE 10 HZ PHE 10 11.987 -6.680 -0.160
76 H TRP 11 HN TRP 11 12.946 0.029 0.463
77 HA TRP 11 HA TRP 11 10.626 -1.325 1.291
78 HB2 TRP 11 HB2 TRP 11 12.253 0.927 2.338
79 HB3 TRP 11 HB1 TRP 11 10.618 0.762 2.967
80 HD1 TRP 11 HD1 TRP 11 14.042 -0.457 3.555
81 HE1 TRP 11 HE1 TRP 11 14.034 -2.461 5.168
82 HE3 TRP 11 HE3 TRP 11 9.048 -1.549 3.469
83 HZ2 TRP 11 HZ2 TRP 11 12.160 -4.267 6.260
84 HZ3 TRP 11 HZ3 TRP 11 8.230 -3.431 4.826
85 HH2 TRP 11 HH2 TRP 11 9.756 -4.762 6.191
86 H HIS 12 HN HIS 12 11.101 1.880 -0.114
87 HA HIS 12 HA HIS 12 8.406 2.719 0.162
88 HB2 HIS 12 HB2 HIS 12 10.662 3.650 -1.611
89 HB3 HIS 12 HB1 HIS 12 9.065 4.390 -1.653
90 HD1 HIS 12 HD1 HIS 12 10.674 3.329 1.589
91 HD2 HIS 12 HD2 HIS 12 9.890 6.783 -0.582
92 HE1 HIS 12 HE1 HIS 12 11.175 5.268 3.134
93 H ASP 13 HN ASP 13 10.198 1.097 -2.409
94 HA ASP 13 HA ASP 13 8.149 1.194 -4.351
95 HB2 ASP 13 HB2 ASP 13 10.454 0.755 -4.984
96 HB3 ASP 13 HB1 ASP 13 10.461 -0.730 -4.038
97 H LEU 14 HN LEU 14 9.034 -1.255 -1.935
98 HA LEU 14 HA LEU 14 7.000 -3.078 -2.763
99 HB2 LEU 14 HB2 LEU 14 7.659 -4.460 -0.998
100 HB3 LEU 14 HB1 LEU 14 9.126 -3.686 -1.548
101 HG LEU 14 HG LEU 14 8.582 -2.001 0.414
102 HD11 LEU 14 HD11 LEU 14 7.482 -2.984 2.269
103 HD12 LEU 14 HD12 LEU 14 7.380 -4.550 1.463
104 HD13 LEU 14 HD13 LEU 14 6.416 -3.195 0.879
105 HD21 LEU 14 HD21 LEU 14 9.778 -4.751 0.731
106 HD22 LEU 14 HD22 LEU 14 9.964 -3.439 1.894
107 HD23 LEU 14 HD23 LEU 14 10.619 -3.272 0.266
108 H ALA 15 HN ALA 15 7.181 -0.436 -0.521
109 HA ALA 15 HA ALA 15 4.838 -1.065 0.959
110 HB1 ALA 15 HB1 ALA 15 6.587 0.430 1.813
111 HB2 ALA 15 HB2 ALA 15 4.995 1.192 1.832
112 HB3 ALA 15 HB3 ALA 15 6.162 1.616 0.578
113 H ALA 16 HN ALA 16 5.444 0.759 -1.986
114 HA ALA 16 HA ALA 16 3.159 2.236 -2.256
115 HB1 ALA 16 HB1 ALA 16 3.512 2.239 -4.609
116 HB2 ALA 16 HB2 ALA 16 4.407 0.722 -4.540
117 HB3 ALA 16 HB3 ALA 16 5.096 2.183 -3.835
118 HA PRO 17 HA PRO 17 0.684 -1.471 -4.106
119 HB2 PRO 17 HB2 PRO 17 1.682 -3.980 -3.793
120 HB3 PRO 17 HB1 PRO 17 2.071 -2.967 -5.197
121 HG2 PRO 17 HG2 PRO 17 3.679 -3.476 -2.741
122 HG3 PRO 17 HG1 PRO 17 4.197 -3.410 -4.438
123 HD2 PRO 17 HD2 PRO 17 4.546 -1.340 -2.736
124 HD3 PRO 17 HD1 PRO 17 4.263 -1.117 -4.472
125 H VAL 18 HN VAL 18 2.496 -1.855 -1.146
126 HA VAL 18 HA VAL 18 0.664 -3.575 0.191
127 HB VAL 18 HB VAL 18 2.771 -1.706 1.289
128 HG11 VAL 18 HG11 VAL 18 1.209 -3.871 2.694
129 HG12 VAL 18 HG12 VAL 18 1.090 -2.136 2.989
130 HG13 VAL 18 HG13 VAL 18 2.581 -2.994 3.372
131 HG21 VAL 18 HG21 VAL 18 4.208 -3.567 1.386
132 HG22 VAL 18 HG22 VAL 18 3.445 -3.663 -0.201
133 HG23 VAL 18 HG23 VAL 18 2.889 -4.704 1.109
134 H ILE 19 HN ILE 19 1.217 -0.076 0.285
135 HA ILE 19 HA ILE 19 -0.871 0.483 2.126
136 HB ILE 19 HB ILE 19 0.422 2.360 0.143
137 HG12 ILE 19 HG12 ILE 19 1.203 2.047 3.031
138 HG13 ILE 19 HG11 ILE 19 1.930 1.040 1.783
139 HG21 ILE 19 HG21 ILE 19 -1.621 3.255 1.094
140 HG22 ILE 19 HG22 ILE 19 -0.223 4.101 1.758
141 HG23 ILE 19 HG23 ILE 19 -1.054 2.879 2.721
142 HD11 ILE 19 HD11 ILE 19 3.293 2.998 2.347
143 HD12 ILE 19 HD12 ILE 19 1.979 4.048 1.818
144 HD13 ILE 19 HD13 ILE 19 2.787 2.992 0.659
145 H ALA 20 HN ALA 20 -0.606 0.610 -1.403
146 HA ALA 20 HA ALA 20 -3.180 1.692 -1.868
147 HB1 ALA 20 HB1 ALA 20 -2.842 1.023 -4.185
148 HB2 ALA 20 HB2 ALA 20 -1.471 0.021 -3.709
149 HB3 ALA 20 HB3 ALA 20 -1.385 1.773 -3.533
150 H GLY 21 HN GLY 21 -1.976 -1.586 -1.478
151 HA2 GLY 21 HA2 GLY 21 -4.282 -2.936 -2.419
152 HA3 GLY 21 HA1 GLY 21 -3.053 -3.613 -1.361
153 H ILE 22 HN ILE 22 -3.270 -1.984 0.852
154 HA ILE 22 HA ILE 22 -5.526 -3.104 2.158
155 HB ILE 22 HB ILE 22 -3.700 -0.881 3.086
156 HG12 ILE 22 HG12 ILE 22 -3.619 -3.825 3.772
157 HG13 ILE 22 HG11 ILE 22 -2.609 -3.083 2.537
158 HG21 ILE 22 HG21 ILE 22 -5.781 -0.883 4.328
159 HG22 ILE 22 HG22 ILE 22 -4.472 -1.488 5.344
160 HG23 ILE 22 HG23 ILE 22 -5.627 -2.614 4.630
161 HD11 ILE 22 HD11 ILE 22 -1.582 -1.660 4.222
162 HD12 ILE 22 HD12 ILE 22 -1.405 -3.367 4.629
163 HD13 ILE 22 HD13 ILE 22 -2.607 -2.382 5.462
164 H LEU 23 HN LEU 23 -4.774 0.146 0.970
165 HA LEU 23 HA LEU 23 -7.076 1.418 1.981
166 HB2 LEU 23 HB2 LEU 23 -5.217 2.747 1.273
167 HB3 LEU 23 HB1 LEU 23 -5.270 2.069 -0.342
168 HG LEU 23 HG LEU 23 -7.400 3.209 -0.763
169 HD11 LEU 23 HD11 LEU 23 -8.238 4.871 0.835
170 HD12 LEU 23 HD12 LEU 23 -7.019 4.355 2.000
171 HD13 LEU 23 HD13 LEU 23 -8.288 3.238 1.498
172 HD21 LEU 23 HD21 LEU 23 -5.223 5.022 0.271
173 HD22 LEU 23 HD22 LEU 23 -6.534 5.504 -0.806
174 HD23 LEU 23 HD23 LEU 23 -5.329 4.337 -1.350
175 H ALA 24 HN ALA 24 -6.424 -0.305 -1.013
176 HA ALA 24 HA ALA 24 -8.803 0.377 -2.365
177 HB1 ALA 24 HB1 ALA 24 -8.303 -1.540 -3.806
178 HB2 ALA 24 HB2 ALA 24 -7.077 -2.079 -2.658
179 HB3 ALA 24 HB3 ALA 24 -6.870 -0.554 -3.518
180 H SER 25 HN SER 25 -7.980 -2.232 -0.144
181 HA SER 25 HA SER 25 -10.338 -3.740 -0.445
182 HB2 SER 25 HB2 SER 25 -8.495 -3.504 1.945
183 HB3 SER 25 HB1 SER 25 -9.720 -4.753 1.729
184 HG SER 25 HG SER 25 -8.170 -5.782 0.753
185 H MET 26 HN MET 26 -9.509 -1.050 1.692
186 HA MET 26 HA MET 26 -11.863 -1.167 3.263
187 HB2 MET 26 HB2 MET 26 -10.036 1.177 2.710
188 HB3 MET 26 HB1 MET 26 -11.251 1.113 3.979
189 HG2 MET 26 HG2 MET 26 -10.027 -0.869 4.910
190 HG3 MET 26 HG1 MET 26 -8.747 -0.531 3.749
191 HE1 MET 26 HE1 MET 26 -7.330 1.766 3.748
192 HE2 MET 26 HE2 MET 26 -7.631 3.077 4.887
193 HE3 MET 26 HE3 MET 26 -8.847 2.663 3.679
194 H ILE 27 HN ILE 27 -10.997 0.647 0.351
195 HA ILE 27 HA ILE 27 -13.327 2.224 0.218
196 HB ILE 27 HB ILE 27 -11.491 1.301 -1.996
197 HG12 ILE 27 HG12 ILE 27 -11.639 3.936 -0.514
198 HG13 ILE 27 HG11 ILE 27 -10.452 2.674 -0.204
199 HG21 ILE 27 HG21 ILE 27 -13.612 3.446 -2.026
200 HG22 ILE 27 HG22 ILE 27 -13.640 1.928 -2.926
201 HG23 ILE 27 HG23 ILE 27 -12.434 3.157 -3.306
202 HD11 ILE 27 HD11 ILE 27 -10.774 4.215 -2.768
203 HD12 ILE 27 HD12 ILE 27 -9.593 2.937 -2.478
204 HD13 ILE 27 HD13 ILE 27 -9.507 4.440 -1.561
205 H VAL 28 HN VAL 28 -12.537 -0.948 -1.147
206 HA VAL 28 HA VAL 28 -14.939 -1.241 -2.620
207 HB VAL 28 HB VAL 28 -13.030 -3.338 -1.573
208 HG11 VAL 28 HG11 VAL 28 -15.269 -3.600 -3.579
209 HG12 VAL 28 HG12 VAL 28 -15.204 -4.340 -1.980
210 HG13 VAL 28 HG13 VAL 28 -14.063 -4.838 -3.229
211 HG21 VAL 28 HG21 VAL 28 -13.326 -2.157 -4.334
212 HG22 VAL 28 HG22 VAL 28 -12.138 -3.356 -3.822
213 HG23 VAL 28 HG23 VAL 28 -12.074 -1.719 -3.172
214 H ASN 29 HN ASN 29 -13.969 -2.215 0.641
215 HA ASN 29 HA ASN 29 -16.272 -3.718 1.253
216 HB2 ASN 29 HB2 ASN 29 -14.297 -2.254 3.005
217 HB3 ASN 29 HB1 ASN 29 -15.606 -3.235 3.655
218 HD21 ASN 29 HD21 ASN 29 -12.731 -3.576 3.904
219 HD22 ASN 29 HD22 ASN 29 -12.376 -5.145 3.275
220 H TRP 30 HN TRP 30 -15.491 -0.299 1.697
221 HA TRP 30 HA TRP 30 -17.839 0.384 3.112
222 HB2 TRP 30 HB2 TRP 30 -16.115 1.938 3.325
223 HB3 TRP 30 HB1 TRP 30 -15.760 1.930 1.602
224 HD1 TRP 30 HD1 TRP 30 -18.845 2.960 3.749
225 HE1 TRP 30 HE1 TRP 30 -19.729 5.192 2.821
226 HE3 TRP 30 HE3 TRP 30 -15.511 3.625 -0.066
227 HZ2 TRP 30 HZ2 TRP 30 -19.096 6.997 0.742
228 HZ3 TRP 30 HZ3 TRP 30 -15.717 5.627 -1.480
229 HH2 TRP 30 HH2 TRP 30 -17.475 7.280 -1.083
230 H LEU 31 HN LEU 31 -16.986 0.722 -0.330
231 HA LEU 31 HA LEU 31 -19.437 1.839 -1.130
232 HB2 LEU 31 HB2 LEU 31 -17.215 0.448 -2.559
233 HB3 LEU 31 HB1 LEU 31 -18.699 0.826 -3.417
234 HG LEU 31 HG LEU 31 -17.107 2.911 -1.941
235 HD11 LEU 31 HD11 LEU 31 -16.941 2.134 -4.847
236 HD12 LEU 31 HD12 LEU 31 -15.674 1.933 -3.637
237 HD13 LEU 31 HD13 LEU 31 -16.185 3.551 -4.118
238 HD21 LEU 31 HD21 LEU 31 -19.206 3.081 -4.099
239 HD22 LEU 31 HD22 LEU 31 -18.349 4.448 -3.387
240 HD23 LEU 31 HD23 LEU 31 -19.432 3.472 -2.394
241 H ASN 32 HN ASN 32 -18.345 -1.520 -0.946
242 HA ASN 32 HA ASN 32 -20.640 -2.637 -2.180
243 HB2 ASN 32 HB2 ASN 32 -18.573 -3.820 -0.321
244 HB3 ASN 32 HB1 ASN 32 -19.868 -4.766 -1.047
245 HD21 ASN 32 HD21 ASN 32 -18.346 -6.052 -2.120
246 HD22 ASN 32 HD22 ASN 32 -17.505 -5.483 -3.519
247 H LYS 33 HN LYS 33 -20.128 -1.214 0.841
248 HA LYS 33 HA LYS 33 -22.241 -2.668 2.206
249 HB2 LYS 33 HB2 LYS 33 -20.220 -1.972 3.439
250 HB3 LYS 33 HB1 LYS 33 -20.596 -0.290 3.100
251 HG2 LYS 33 HG2 LYS 33 -22.662 -1.914 4.476
252 HG3 LYS 33 HG1 LYS 33 -21.228 -1.449 5.392
253 HD2 LYS 33 HD2 LYS 33 -22.750 0.595 3.817
254 HD3 LYS 33 HD1 LYS 33 -23.313 0.098 5.413
255 HE2 LYS 33 HE2 LYS 33 -21.947 2.067 5.636
256 HE3 LYS 33 HE1 LYS 33 -21.096 0.691 6.336
257 HZ1 LYS 33 HZ1 LYS 33 -19.642 2.091 4.988
258 HZ2 LYS 33 HZ2 LYS 33 -20.604 1.806 3.627
259 HZ3 LYS 33 HZ3 LYS 33 -19.759 0.530 4.346
260 H ARG 34 HN ARG 34 -21.684 0.438 0.673
261 HA ARG 34 HA ARG 34 -24.351 1.368 1.407
262 HB2 ARG 34 HB2 ARG 34 -23.681 3.492 0.384
263 HB3 ARG 34 HB1 ARG 34 -22.513 2.967 1.587
264 HG2 ARG 34 HG2 ARG 34 -20.975 2.271 -0.106
265 HG3 ARG 34 HG1 ARG 34 -22.177 2.534 -1.372
266 HD2 ARG 34 HD2 ARG 34 -20.988 4.663 0.403
267 HD3 ARG 34 HD1 ARG 34 -20.542 4.357 -1.275
268 HE ARG 34 HE ARG 34 -23.342 4.861 -0.941
269 HH11 ARG 34 HH11 ARG 34 -20.216 6.363 -1.289
270 HH12 ARG 34 HH12 ARG 34 -20.854 7.834 -1.943
271 HH21 ARG 34 HH21 ARG 34 -24.188 6.794 -1.801
272 HH22 ARG 34 HH22 ARG 34 -23.111 8.079 -2.234
273 H LYS 35 HN LYS 35 -23.013 -0.498 -0.957
274 HA LYS 35 HA LYS 35 -23.663 -1.213 -3.012
275 HB2 LYS 35 HB2 LYS 35 -26.264 -0.133 -1.946
276 HB3 LYS 35 HB1 LYS 35 -26.154 -0.891 -3.528
277 HG2 LYS 35 HG2 LYS 35 -26.902 -2.544 -2.012
278 HG3 LYS 35 HG1 LYS 35 -25.221 -2.919 -2.392
279 HD2 LYS 35 HD2 LYS 35 -24.489 -1.974 -0.298
280 HD3 LYS 35 HD1 LYS 35 -26.126 -1.421 0.066
281 HE2 LYS 35 HE2 LYS 35 -25.611 -3.450 1.304
282 HE3 LYS 35 HE1 LYS 35 -26.892 -3.746 0.128
283 HZ1 LYS 35 HZ1 LYS 35 -25.159 -4.649 -1.373
284 HZ2 LYS 35 HZ2 LYS 35 -25.357 -5.548 0.046
285 HZ3 LYS 35 HZ3 LYS 35 -24.034 -4.507 -0.117
Start of MODEL 16
1 H1 MET 1 HT1 MET 1 -26.857 -1.685 3.627
2 H2 MET 1 HT2 MET 1 -27.981 -0.432 3.462
3 H3 MET 1 HT3 MET 1 -27.194 -0.671 4.939
4 HA MET 1 HA MET 1 -26.264 1.212 3.772
5 HB2 MET 1 HB2 MET 1 -23.913 0.518 3.845
6 HB3 MET 1 HB1 MET 1 -24.806 -0.113 5.221
7 HG2 MET 1 HG2 MET 1 -25.001 -2.280 4.048
8 HG3 MET 1 HG1 MET 1 -23.999 -1.629 2.751
9 HE1 MET 1 HE1 MET 1 -24.126 -2.677 6.540
10 HE2 MET 1 HE2 MET 1 -23.664 -0.977 6.616
11 HE3 MET 1 HE3 MET 1 -22.509 -2.226 7.081
12 H THR 2 HN THR 2 -24.473 1.646 2.051
13 HA THR 2 HA THR 2 -25.485 0.567 -0.490
14 HB THR 2 HB THR 2 -23.785 2.779 -0.977
15 HG1 THR 2 HG1 THR 2 -25.768 3.354 0.991
16 HG21 THR 2 HG21 THR 2 -26.800 2.571 -1.020
17 HG22 THR 2 HG22 THR 2 -25.714 2.106 -2.330
18 HG23 THR 2 HG23 THR 2 -25.837 3.797 -1.845
19 H PHE 3 HN PHE 3 -24.212 -0.552 -1.815
20 HA PHE 3 HA PHE 3 -21.716 -1.524 -0.948
21 HB2 PHE 3 HB2 PHE 3 -23.435 -2.511 -2.653
22 HB3 PHE 3 HB1 PHE 3 -22.521 -1.578 -3.836
23 HD1 PHE 3 HD1 PHE 3 -21.930 -3.929 -1.017
24 HD2 PHE 3 HD2 PHE 3 -20.771 -2.625 -4.895
25 HE1 PHE 3 HE1 PHE 3 -20.256 -5.728 -1.115
26 HE2 PHE 3 HE2 PHE 3 -19.094 -4.423 -5.005
27 HZ PHE 3 HZ PHE 3 -18.835 -5.979 -3.112
28 H ALA 4 HN ALA 4 -22.632 1.133 -3.043
29 HA ALA 4 HA ALA 4 -20.055 1.627 -4.124
30 HB1 ALA 4 HB1 ALA 4 -22.382 3.518 -3.785
31 HB2 ALA 4 HB2 ALA 4 -22.082 2.481 -5.181
32 HB3 ALA 4 HB3 ALA 4 -20.966 3.793 -4.801
33 H GLU 5 HN GLU 5 -21.797 2.861 -1.306
34 HA GLU 5 HA GLU 5 -19.850 4.774 -0.556
35 HB2 GLU 5 HB2 GLU 5 -21.974 3.364 1.067
36 HB3 GLU 5 HB1 GLU 5 -20.987 4.686 1.677
37 HG2 GLU 5 HG2 GLU 5 -22.867 4.837 -0.670
38 HG3 GLU 5 HG1 GLU 5 -23.188 5.447 0.953
39 H LEU 6 HN LEU 6 -20.356 1.379 0.273
40 HA LEU 6 HA LEU 6 -18.139 1.344 2.123
41 HB2 LEU 6 HB2 LEU 6 -20.227 -0.101 2.288
42 HB3 LEU 6 HB1 LEU 6 -19.570 -1.034 0.954
43 HG LEU 6 HG LEU 6 -17.735 -0.683 3.229
44 HD11 LEU 6 HD11 LEU 6 -18.852 -2.402 4.578
45 HD12 LEU 6 HD12 LEU 6 -20.238 -2.341 3.490
46 HD13 LEU 6 HD13 LEU 6 -19.813 -0.928 4.455
47 HD21 LEU 6 HD21 LEU 6 -17.300 -3.037 2.773
48 HD22 LEU 6 HD22 LEU 6 -17.228 -2.089 1.288
49 HD23 LEU 6 HD23 LEU 6 -18.646 -3.077 1.635
50 H GLY 7 HN GLY 7 -18.527 1.143 -1.223
51 HA2 GLY 7 HA2 GLY 7 -16.483 -0.717 -1.869
52 HA3 GLY 7 HA1 GLY 7 -17.145 0.501 -2.946
53 H MET 8 HN MET 8 -16.480 2.820 -1.588
54 HA MET 8 HA MET 8 -13.732 3.070 -2.313
55 HB2 MET 8 HB2 MET 8 -15.617 4.998 -0.946
56 HB3 MET 8 HB1 MET 8 -14.001 5.414 -1.500
57 HG2 MET 8 HG2 MET 8 -16.226 4.425 -3.268
58 HG3 MET 8 HG1 MET 8 -15.775 6.116 -3.056
59 HE1 MET 8 HE1 MET 8 -15.512 6.416 -5.642
60 HE2 MET 8 HE2 MET 8 -15.929 4.729 -5.946
61 HE3 MET 8 HE3 MET 8 -14.474 5.421 -6.664
62 H ALA 9 HN ALA 9 -15.486 3.003 0.761
63 HA ALA 9 HA ALA 9 -13.265 3.562 2.413
64 HB1 ALA 9 HB1 ALA 9 -15.871 2.158 2.972
65 HB2 ALA 9 HB2 ALA 9 -15.450 3.837 3.318
66 HB3 ALA 9 HB3 ALA 9 -14.677 2.530 4.216
67 H PHE 10 HN PHE 10 -14.706 0.534 1.287
68 HA PHE 10 HA PHE 10 -12.959 -1.167 2.738
69 HB2 PHE 10 HB2 PHE 10 -15.015 -2.113 2.068
70 HB3 PHE 10 HB1 PHE 10 -14.813 -1.584 0.403
71 HD1 PHE 10 HD1 PHE 10 -14.727 -3.395 -0.971
72 HD2 PHE 10 HD2 PHE 10 -12.628 -3.533 2.727
73 HE1 PHE 10 HE1 PHE 10 -13.817 -5.601 -1.575
74 HE2 PHE 10 HE2 PHE 10 -11.716 -5.740 2.133
75 HZ PHE 10 HZ PHE 10 -12.310 -6.778 -0.021
76 H TRP 11 HN TRP 11 -12.949 0.003 -0.628
77 HA TRP 11 HA TRP 11 -10.675 -1.450 -1.433
78 HB2 TRP 11 HB2 TRP 11 -12.238 0.806 -2.510
79 HB3 TRP 11 HB1 TRP 11 -10.563 0.731 -3.045
80 HD1 TRP 11 HD1 TRP 11 -13.869 -0.529 -3.960
81 HE1 TRP 11 HE1 TRP 11 -13.687 -2.502 -5.602
82 HE3 TRP 11 HE3 TRP 11 -8.897 -1.593 -3.403
83 HZ2 TRP 11 HZ2 TRP 11 -11.698 -4.275 -6.538
84 HZ3 TRP 11 HZ3 TRP 11 -7.934 -3.443 -4.709
85 HH2 TRP 11 HH2 TRP 11 -9.308 -4.756 -6.242
86 H HIS 12 HN HIS 12 -11.014 1.802 -0.083
87 HA HIS 12 HA HIS 12 -8.270 2.477 -0.284
88 HB2 HIS 12 HB2 HIS 12 -10.529 3.559 1.395
89 HB3 HIS 12 HB1 HIS 12 -8.895 4.210 1.489
90 HD1 HIS 12 HD1 HIS 12 -10.475 3.189 -1.783
91 HD2 HIS 12 HD2 HIS 12 -9.508 6.625 0.342
92 HE1 HIS 12 HE1 HIS 12 -10.803 5.125 -3.377
93 H ASP 13 HN ASP 13 -10.228 1.029 2.270
94 HA ASP 13 HA ASP 13 -8.245 1.061 4.275
95 HB2 ASP 13 HB2 ASP 13 -10.623 0.759 4.782
96 HB3 ASP 13 HB1 ASP 13 -10.615 -0.789 3.943
97 H LEU 14 HN LEU 14 -9.164 -1.396 1.881
98 HA LEU 14 HA LEU 14 -7.257 -3.305 2.819
99 HB2 LEU 14 HB2 LEU 14 -7.929 -4.687 1.068
100 HB3 LEU 14 HB1 LEU 14 -9.374 -3.806 1.512
101 HG LEU 14 HG LEU 14 -8.572 -2.219 -0.463
102 HD11 LEU 14 HD11 LEU 14 -7.469 -3.340 -2.217
103 HD12 LEU 14 HD12 LEU 14 -7.614 -4.902 -1.411
104 HD13 LEU 14 HD13 LEU 14 -6.522 -3.677 -0.767
105 HD21 LEU 14 HD21 LEU 14 -9.987 -4.856 -0.838
106 HD22 LEU 14 HD22 LEU 14 -10.063 -3.481 -1.939
107 HD23 LEU 14 HD23 LEU 14 -10.729 -3.345 -0.312
108 H ALA 15 HN ALA 15 -7.229 -0.702 0.527
109 HA ALA 15 HA ALA 15 -4.865 -1.465 -0.855
110 HB1 ALA 15 HB1 ALA 15 -6.047 1.293 -0.594
111 HB2 ALA 15 HB2 ALA 15 -6.555 0.086 -1.774
112 HB3 ALA 15 HB3 ALA 15 -4.915 0.733 -1.826
113 H ALA 16 HN ALA 16 -5.485 0.448 2.032
114 HA ALA 16 HA ALA 16 -3.132 1.827 2.318
115 HB1 ALA 16 HB1 ALA 16 -3.577 1.976 4.637
116 HB2 ALA 16 HB2 ALA 16 -4.504 0.478 4.630
117 HB3 ALA 16 HB3 ALA 16 -5.142 1.912 3.827
118 HA PRO 17 HA PRO 17 -0.929 -1.931 4.385
119 HB2 PRO 17 HB2 PRO 17 -2.062 -4.387 4.178
120 HB3 PRO 17 HB1 PRO 17 -2.439 -3.276 5.509
121 HG2 PRO 17 HG2 PRO 17 -3.997 -3.841 3.034
122 HG3 PRO 17 HG1 PRO 17 -4.561 -3.638 4.704
123 HD2 PRO 17 HD2 PRO 17 -4.723 -1.665 2.856
124 HD3 PRO 17 HD1 PRO 17 -4.515 -1.352 4.588
125 H VAL 18 HN VAL 18 -2.712 -2.428 1.410
126 HA VAL 18 HA VAL 18 -0.923 -4.294 0.226
127 HB VAL 18 HB VAL 18 -2.964 -2.431 -0.996
128 HG11 VAL 18 HG11 VAL 18 -1.368 -4.618 -2.329
129 HG12 VAL 18 HG12 VAL 18 -1.266 -2.889 -2.665
130 HG13 VAL 18 HG13 VAL 18 -2.742 -3.775 -3.047
131 HG21 VAL 18 HG21 VAL 18 -3.055 -5.425 -0.691
132 HG22 VAL 18 HG22 VAL 18 -4.370 -4.341 -1.150
133 HG23 VAL 18 HG23 VAL 18 -3.731 -4.308 0.493
134 H ILE 19 HN ILE 19 -1.309 -0.786 -0.054
135 HA ILE 19 HA ILE 19 0.836 -0.416 -1.877
136 HB ILE 19 HB ILE 19 -0.445 1.592 -0.018
137 HG12 ILE 19 HG12 ILE 19 -1.051 1.259 -2.945
138 HG13 ILE 19 HG11 ILE 19 -1.897 0.297 -1.737
139 HG21 ILE 19 HG21 ILE 19 0.385 3.251 -1.658
140 HG22 ILE 19 HG22 ILE 19 1.255 1.958 -2.482
141 HG23 ILE 19 HG23 ILE 19 1.680 2.392 -0.827
142 HD11 ILE 19 HD11 ILE 19 -2.734 2.303 -0.684
143 HD12 ILE 19 HD12 ILE 19 -3.151 2.289 -2.398
144 HD13 ILE 19 HD13 ILE 19 -1.828 3.303 -1.820
145 H ALA 20 HN ALA 20 0.515 -0.108 1.638
146 HA ALA 20 HA ALA 20 3.055 0.932 2.185
147 HB1 ALA 20 HB1 ALA 20 1.423 -0.902 3.937
148 HB2 ALA 20 HB2 ALA 20 1.198 0.843 3.808
149 HB3 ALA 20 HB3 ALA 20 2.703 0.194 4.459
150 H GLY 21 HN GLY 21 1.961 -2.370 1.663
151 HA2 GLY 21 HA2 GLY 21 4.311 -3.676 2.546
152 HA3 GLY 21 HA1 GLY 21 3.111 -4.347 1.450
153 H ILE 22 HN ILE 22 3.275 -2.593 -0.671
154 HA ILE 22 HA ILE 22 5.565 -3.560 -2.035
155 HB ILE 22 HB ILE 22 3.781 -1.275 -2.879
156 HG12 ILE 22 HG12 ILE 22 3.461 -4.196 -3.586
157 HG13 ILE 22 HG11 ILE 22 2.573 -3.423 -2.277
158 HG21 ILE 22 HG21 ILE 22 5.471 -3.178 -4.498
159 HG22 ILE 22 HG22 ILE 22 5.874 -1.499 -4.138
160 HG23 ILE 22 HG23 ILE 22 4.468 -1.875 -5.135
161 HD11 ILE 22 HD11 ILE 22 1.219 -3.547 -4.273
162 HD12 ILE 22 HD12 ILE 22 2.451 -2.679 -5.189
163 HD13 ILE 22 HD13 ILE 22 1.584 -1.865 -3.887
164 H LEU 23 HN LEU 23 4.733 -0.478 -0.550
165 HA LEU 23 HA LEU 23 6.934 1.005 -1.495
166 HB2 LEU 23 HB2 LEU 23 5.010 2.123 -0.578
167 HB3 LEU 23 HB1 LEU 23 5.215 1.317 0.964
168 HG LEU 23 HG LEU 23 7.302 2.560 1.341
169 HD11 LEU 23 HD11 LEU 23 8.018 2.883 -0.946
170 HD12 LEU 23 HD12 LEU 23 7.866 4.444 -0.141
171 HD13 LEU 23 HD13 LEU 23 6.619 3.908 -1.268
172 HD21 LEU 23 HD21 LEU 23 6.285 4.764 1.683
173 HD22 LEU 23 HD22 LEU 23 5.211 3.461 2.191
174 HD23 LEU 23 HD23 LEU 23 4.929 4.291 0.661
175 H ALA 24 HN ALA 24 6.477 -1.102 1.272
176 HA ALA 24 HA ALA 24 8.847 -0.452 2.653
177 HB1 ALA 24 HB1 ALA 24 8.511 -2.580 3.826
178 HB2 ALA 24 HB2 ALA 24 7.280 -3.029 2.647
179 HB3 ALA 24 HB3 ALA 24 7.016 -1.651 3.714
180 H SER 25 HN SER 25 8.131 -2.741 0.078
181 HA SER 25 HA SER 25 10.590 -4.131 0.139
182 HB2 SER 25 HB2 SER 25 8.654 -3.718 -2.154
183 HB3 SER 25 HB1 SER 25 9.966 -4.897 -2.132
184 HG SER 25 HG SER 25 8.442 -5.123 0.081
185 H MET 26 HN MET 26 9.513 -1.226 -1.544
186 HA MET 26 HA MET 26 11.818 -0.965 -3.183
187 HB2 MET 26 HB2 MET 26 9.807 1.112 -2.298
188 HB3 MET 26 HB1 MET 26 11.013 1.349 -3.556
189 HG2 MET 26 HG2 MET 26 9.976 -0.596 -4.764
190 HG3 MET 26 HG1 MET 26 8.672 -0.531 -3.581
191 HE1 MET 26 HE1 MET 26 8.456 2.598 -3.064
192 HE2 MET 26 HE2 MET 26 7.034 1.581 -3.300
193 HE3 MET 26 HE3 MET 26 7.220 3.069 -4.230
194 H ILE 27 HN ILE 27 10.903 0.376 -0.034
195 HA ILE 27 HA ILE 27 13.104 2.103 0.270
196 HB ILE 27 HB ILE 27 11.471 0.710 2.398
197 HG12 ILE 27 HG12 ILE 27 11.276 3.531 1.321
198 HG13 ILE 27 HG11 ILE 27 10.231 2.208 0.820
199 HG21 ILE 27 HG21 ILE 27 12.296 2.486 3.901
200 HG22 ILE 27 HG22 ILE 27 13.373 3.042 2.620
201 HG23 ILE 27 HG23 ILE 27 13.591 1.438 3.320
202 HD11 ILE 27 HD11 ILE 27 9.120 3.598 2.450
203 HD12 ILE 27 HD12 ILE 27 10.443 3.358 3.592
204 HD13 ILE 27 HD13 ILE 27 9.423 1.997 3.125
205 H VAL 28 HN VAL 28 12.624 -1.284 1.190
206 HA VAL 28 HA VAL 28 15.115 -1.585 2.509
207 HB VAL 28 HB VAL 28 13.329 -3.666 1.238
208 HG11 VAL 28 HG11 VAL 28 15.567 -4.549 1.427
209 HG12 VAL 28 HG12 VAL 28 14.544 -5.277 2.664
210 HG13 VAL 28 HG13 VAL 28 15.679 -3.999 3.098
211 HG21 VAL 28 HG21 VAL 28 12.529 -4.071 3.482
212 HG22 VAL 28 HG22 VAL 28 12.315 -2.368 3.078
213 HG23 VAL 28 HG23 VAL 28 13.640 -2.864 4.128
214 H ASN 29 HN ASN 29 14.034 -2.463 -0.771
215 HA ASN 29 HA ASN 29 16.447 -3.530 -1.681
216 HB2 ASN 29 HB2 ASN 29 14.210 -2.143 -3.164
217 HB3 ASN 29 HB1 ASN 29 15.560 -2.931 -3.975
218 HD21 ASN 29 HD21 ASN 29 14.201 -4.409 -4.972
219 HD22 ASN 29 HD22 ASN 29 13.470 -5.715 -4.110
220 H TRP 30 HN TRP 30 15.354 -0.219 -1.414
221 HA TRP 30 HA TRP 30 17.411 0.945 -2.996
222 HB2 TRP 30 HB2 TRP 30 15.561 2.331 -2.741
223 HB3 TRP 30 HB1 TRP 30 15.398 1.972 -1.027
224 HD1 TRP 30 HD1 TRP 30 18.113 3.727 -3.209
225 HE1 TRP 30 HE1 TRP 30 18.871 5.841 -1.949
226 HE3 TRP 30 HE3 TRP 30 15.172 3.288 0.948
227 HZ2 TRP 30 HZ2 TRP 30 18.293 7.150 0.489
228 HZ3 TRP 30 HZ3 TRP 30 15.332 5.011 2.697
229 HH2 TRP 30 HH2 TRP 30 16.861 6.902 2.471
230 H LEU 31 HN LEU 31 16.973 0.615 0.520
231 HA LEU 31 HA LEU 31 19.428 1.783 1.241
232 HB2 LEU 31 HB2 LEU 31 17.468 0.006 2.621
233 HB3 LEU 31 HB1 LEU 31 19.019 0.333 3.374
234 HG LEU 31 HG LEU 31 17.115 2.499 2.499
235 HD11 LEU 31 HD11 LEU 31 17.475 1.255 5.218
236 HD12 LEU 31 HD12 LEU 31 16.038 1.154 4.202
237 HD13 LEU 31 HD13 LEU 31 16.535 2.707 4.875
238 HD21 LEU 31 HD21 LEU 31 19.502 2.534 4.340
239 HD22 LEU 31 HD22 LEU 31 18.472 3.910 3.944
240 HD23 LEU 31 HD23 LEU 31 19.462 3.161 2.692
241 H ASN 32 HN ASN 32 18.597 -1.418 0.190
242 HA ASN 32 HA ASN 32 20.860 -2.782 1.203
243 HB2 ASN 32 HB2 ASN 32 18.978 -3.404 -1.071
244 HB3 ASN 32 HB1 ASN 32 20.267 -4.492 -0.565
245 HD21 ASN 32 HD21 ASN 32 17.398 -4.900 -0.555
246 HD22 ASN 32 HD22 ASN 32 16.965 -5.258 1.078
247 H LYS 33 HN LYS 33 20.334 -0.884 -1.694
248 HA LYS 33 HA LYS 33 22.790 -1.813 -2.915
249 HB2 LYS 33 HB2 LYS 33 22.188 -0.580 -4.811
250 HB3 LYS 33 HB1 LYS 33 20.653 -1.141 -4.164
251 HG2 LYS 33 HG2 LYS 33 20.047 0.997 -4.484
252 HG3 LYS 33 HG1 LYS 33 20.840 1.241 -2.926
253 HD2 LYS 33 HD2 LYS 33 22.915 1.848 -4.084
254 HD3 LYS 33 HD1 LYS 33 22.112 1.612 -5.638
255 HE2 LYS 33 HE2 LYS 33 21.336 3.629 -3.531
256 HE3 LYS 33 HE1 LYS 33 22.209 3.979 -5.023
257 HZ1 LYS 33 HZ1 LYS 33 20.292 3.246 -6.286
258 HZ2 LYS 33 HZ2 LYS 33 19.848 4.481 -5.219
259 HZ3 LYS 33 HZ3 LYS 33 19.455 2.876 -4.862
260 H ARG 34 HN ARG 34 21.844 0.659 -0.749
261 HA ARG 34 HA ARG 34 24.368 2.097 -1.239
262 HB2 ARG 34 HB2 ARG 34 23.360 4.039 -0.193
263 HB3 ARG 34 HB1 ARG 34 22.340 3.471 -1.506
264 HG2 ARG 34 HG2 ARG 34 20.790 2.492 0.033
265 HG3 ARG 34 HG1 ARG 34 21.864 2.821 1.395
266 HD2 ARG 34 HD2 ARG 34 20.529 4.884 -0.355
267 HD3 ARG 34 HD1 ARG 34 20.049 4.450 1.286
268 HE ARG 34 HE ARG 34 22.561 5.189 1.696
269 HH11 ARG 34 HH11 ARG 34 20.084 6.692 -0.240
270 HH12 ARG 34 HH12 ARG 34 20.695 8.296 -0.005
271 HH21 ARG 34 HH21 ARG 34 23.372 7.295 2.010
272 HH22 ARG 34 HH22 ARG 34 22.564 8.639 1.274
273 H LYS 35 HN LYS 35 23.447 -0.317 0.554
274 HA LYS 35 HA LYS 35 24.030 -1.206 2.564
275 HB2 LYS 35 HB2 LYS 35 26.160 0.918 2.312
276 HB3 LYS 35 HB1 LYS 35 26.131 -0.251 3.623
277 HG2 LYS 35 HG2 LYS 35 27.635 -1.099 2.034
278 HG3 LYS 35 HG1 LYS 35 26.161 -2.050 1.849
279 HD2 LYS 35 HD2 LYS 35 25.515 -0.718 -0.077
280 HD3 LYS 35 HD1 LYS 35 26.934 0.309 0.133
281 HE2 LYS 35 HE2 LYS 35 26.954 -2.641 -0.498
282 HE3 LYS 35 HE1 LYS 35 27.282 -1.337 -1.638
283 HZ1 LYS 35 HZ1 LYS 35 28.889 -1.977 0.777
284 HZ2 LYS 35 HZ2 LYS 35 29.200 -0.708 -0.297
285 HZ3 LYS 35 HZ3 LYS 35 29.327 -2.310 -0.823
Start of MODEL 17
1 H1 MET 1 HT1 MET 1 27.219 0.839 -5.070
2 H2 MET 1 HT2 MET 1 26.530 -0.535 -4.366
3 H3 MET 1 HT3 MET 1 27.952 0.119 -3.726
4 HA MET 1 HA MET 1 26.788 2.126 -3.095
5 HB2 MET 1 HB2 MET 1 24.315 2.153 -3.241
6 HB3 MET 1 HB1 MET 1 25.090 2.139 -4.819
7 HG2 MET 1 HG2 MET 1 24.683 -0.296 -4.950
8 HG3 MET 1 HG1 MET 1 23.808 -0.198 -3.423
9 HE1 MET 1 HE1 MET 1 22.444 1.916 -7.295
10 HE2 MET 1 HE2 MET 1 23.865 0.875 -7.208
11 HE3 MET 1 HE3 MET 1 23.851 2.421 -6.359
12 H THR 2 HN THR 2 24.982 2.118 -1.261
13 HA THR 2 HA THR 2 25.766 -0.056 0.526
14 HB THR 2 HB THR 2 24.065 1.874 1.803
15 HG1 THR 2 HG1 THR 2 26.187 3.386 1.265
16 HG21 THR 2 HG21 THR 2 26.034 2.176 3.230
17 HG22 THR 2 HG22 THR 2 27.022 1.303 2.059
18 HG23 THR 2 HG23 THR 2 25.732 0.466 2.922
19 H PHE 3 HN PHE 3 24.406 -1.526 1.361
20 HA PHE 3 HA PHE 3 21.946 -2.048 0.093
21 HB2 PHE 3 HB2 PHE 3 23.568 -3.629 1.409
22 HB3 PHE 3 HB1 PHE 3 22.595 -3.161 2.800
23 HD1 PHE 3 HD1 PHE 3 22.118 -4.303 -0.709
24 HD2 PHE 3 HD2 PHE 3 20.814 -4.504 3.334
25 HE1 PHE 3 HE1 PHE 3 20.436 -5.982 -1.341
26 HE2 PHE 3 HE2 PHE 3 19.128 -6.185 2.712
27 HZ PHE 3 HZ PHE 3 18.937 -6.928 0.371
28 H ALA 4 HN ALA 4 22.786 -0.379 3.064
29 HA ALA 4 HA ALA 4 20.156 -0.237 4.123
30 HB1 ALA 4 HB1 ALA 4 21.057 1.484 5.612
31 HB2 ALA 4 HB2 ALA 4 22.528 1.555 4.641
32 HB3 ALA 4 HB3 ALA 4 22.126 0.083 5.527
33 H GLU 5 HN GLU 5 22.086 1.899 2.072
34 HA GLU 5 HA GLU 5 20.249 4.043 2.006
35 HB2 GLU 5 HB2 GLU 5 22.371 3.210 0.018
36 HB3 GLU 5 HB1 GLU 5 21.483 4.726 -0.058
37 HG2 GLU 5 HG2 GLU 5 23.306 3.845 2.170
38 HG3 GLU 5 HG1 GLU 5 23.671 5.046 0.932
39 H LEU 6 HN LEU 6 20.510 1.051 0.224
40 HA LEU 6 HA LEU 6 18.402 1.829 -1.629
41 HB2 LEU 6 HB2 LEU 6 20.420 0.460 -2.317
42 HB3 LEU 6 HB1 LEU 6 19.744 -0.859 -1.379
43 HG LEU 6 HG LEU 6 17.912 0.309 -3.371
44 HD11 LEU 6 HD11 LEU 6 18.969 -0.885 -5.240
45 HD12 LEU 6 HD12 LEU 6 20.362 -1.232 -4.215
46 HD13 LEU 6 HD13 LEU 6 19.972 0.435 -4.639
47 HD21 LEU 6 HD21 LEU 6 18.741 -2.517 -2.711
48 HD22 LEU 6 HD22 LEU 6 17.394 -2.041 -3.745
49 HD23 LEU 6 HD23 LEU 6 17.359 -1.663 -2.024
50 H GLY 7 HN GLY 7 18.733 0.434 1.418
51 HA2 GLY 7 HA2 GLY 7 16.617 -1.445 1.390
52 HA3 GLY 7 HA1 GLY 7 17.288 -0.673 2.818
53 H MET 8 HN MET 8 16.720 1.998 2.213
54 HA MET 8 HA MET 8 13.985 2.114 3.009
55 HB2 MET 8 HB2 MET 8 15.927 4.298 2.238
56 HB3 MET 8 HB1 MET 8 14.331 4.582 2.921
57 HG2 MET 8 HG2 MET 8 16.516 3.026 4.285
58 HG3 MET 8 HG1 MET 8 16.175 4.732 4.566
59 HE1 MET 8 HE1 MET 8 14.867 3.042 7.851
60 HE2 MET 8 HE2 MET 8 15.956 4.246 7.163
61 HE3 MET 8 HE3 MET 8 16.264 2.529 6.905
62 H ALA 9 HN ALA 9 15.721 2.992 0.035
63 HA ALA 9 HA ALA 9 13.503 4.049 -1.343
64 HB1 ALA 9 HB1 ALA 9 15.942 2.711 -2.509
65 HB2 ALA 9 HB2 ALA 9 15.840 4.405 -2.031
66 HB3 ALA 9 HB3 ALA 9 14.840 3.800 -3.351
67 H PHE 10 HN PHE 10 14.864 0.790 -1.214
68 HA PHE 10 HA PHE 10 13.064 -0.347 -3.090
69 HB2 PHE 10 HB2 PHE 10 15.094 -1.503 -2.776
70 HB3 PHE 10 HB1 PHE 10 14.935 -1.488 -1.026
71 HD1 PHE 10 HD1 PHE 10 14.905 -3.653 -0.309
72 HD2 PHE 10 HD2 PHE 10 12.573 -2.584 -3.706
73 HE1 PHE 10 HE1 PHE 10 13.948 -5.920 -0.362
74 HE2 PHE 10 HE2 PHE 10 11.613 -4.848 -3.766
75 HZ PHE 10 HZ PHE 10 12.300 -6.520 -2.092
76 H TRP 11 HN TRP 11 13.124 -0.300 0.474
77 HA TRP 11 HA TRP 11 10.815 -1.861 0.832
78 HB2 TRP 11 HB2 TRP 11 12.437 -0.059 2.526
79 HB3 TRP 11 HB1 TRP 11 10.775 -0.312 3.047
80 HD1 TRP 11 HD1 TRP 11 14.110 -1.793 3.395
81 HE1 TRP 11 HE1 TRP 11 13.962 -4.179 4.349
82 HE3 TRP 11 HE3 TRP 11 9.104 -2.611 2.764
83 HZ2 TRP 11 HZ2 TRP 11 11.985 -6.147 4.777
84 HZ3 TRP 11 HZ3 TRP 11 8.162 -4.772 3.472
85 HH2 TRP 11 HH2 TRP 11 9.575 -6.503 4.457
86 H HIS 12 HN HIS 12 11.247 1.629 0.492
87 HA HIS 12 HA HIS 12 8.533 2.294 0.966
88 HB2 HIS 12 HB2 HIS 12 10.809 3.763 -0.350
89 HB3 HIS 12 HB1 HIS 12 9.195 4.457 -0.238
90 HD1 HIS 12 HD1 HIS 12 10.837 2.491 2.551
91 HD2 HIS 12 HD2 HIS 12 9.764 6.390 1.598
92 HE1 HIS 12 HE1 HIS 12 11.179 3.855 4.653
93 H ASP 13 HN ASP 13 10.381 1.607 -1.970
94 HA ASP 13 HA ASP 13 8.348 2.292 -3.800
95 HB2 ASP 13 HB2 ASP 13 10.684 2.063 -4.488
96 HB3 ASP 13 HB1 ASP 13 10.639 0.343 -4.114
97 H LEU 14 HN LEU 14 9.225 -0.788 -2.264
98 HA LEU 14 HA LEU 14 7.204 -2.268 -3.634
99 HB2 LEU 14 HB2 LEU 14 7.860 -4.127 -2.389
100 HB3 LEU 14 HB1 LEU 14 9.328 -3.211 -2.628
101 HG LEU 14 HG LEU 14 8.689 -2.235 -0.246
102 HD11 LEU 14 HD11 LEU 14 7.625 -5.032 -0.036
103 HD12 LEU 14 HD12 LEU 14 6.569 -3.647 -0.306
104 HD13 LEU 14 HD13 LEU 14 7.554 -3.733 1.156
105 HD21 LEU 14 HD21 LEU 14 10.132 -3.972 0.734
106 HD22 LEU 14 HD22 LEU 14 10.773 -3.351 -0.786
107 HD23 LEU 14 HD23 LEU 14 9.970 -4.920 -0.742
108 H ALA 15 HN ALA 15 7.364 -0.446 -0.689
109 HA ALA 15 HA ALA 15 5.015 -1.496 0.517
110 HB1 ALA 15 HB1 ALA 15 5.172 0.375 2.044
111 HB2 ALA 15 HB2 ALA 15 6.333 1.175 0.983
112 HB3 ALA 15 HB3 ALA 15 6.768 -0.334 1.787
113 H ALA 16 HN ALA 16 5.626 1.138 -1.732
114 HA ALA 16 HA ALA 16 3.339 2.629 -1.549
115 HB1 ALA 16 HB1 ALA 16 3.697 3.331 -3.803
116 HB2 ALA 16 HB2 ALA 16 4.622 1.876 -4.168
117 HB3 ALA 16 HB3 ALA 16 5.274 3.077 -3.054
118 HA PRO 17 HA PRO 17 0.877 -0.321 -4.457
119 HB2 PRO 17 HB2 PRO 17 1.873 -2.802 -4.941
120 HB3 PRO 17 HB1 PRO 17 2.272 -1.401 -5.954
121 HG2 PRO 17 HG2 PRO 17 3.865 -2.655 -3.768
122 HG3 PRO 17 HG1 PRO 17 4.393 -2.068 -5.359
123 HD2 PRO 17 HD2 PRO 17 4.733 -0.627 -3.099
124 HD3 PRO 17 HD1 PRO 17 4.459 0.122 -4.682
125 H VAL 18 HN VAL 18 2.688 -1.616 -1.763
126 HA VAL 18 HA VAL 18 0.829 -3.642 -1.021
127 HB VAL 18 HB VAL 18 2.955 -2.237 0.606
128 HG11 VAL 18 HG11 VAL 18 1.237 -3.171 2.064
129 HG12 VAL 18 HG12 VAL 18 2.740 -4.083 2.192
130 HG13 VAL 18 HG13 VAL 18 1.392 -4.733 1.259
131 HG21 VAL 18 HG21 VAL 18 3.625 -3.628 -1.418
132 HG22 VAL 18 HG22 VAL 18 3.038 -5.025 -0.516
133 HG23 VAL 18 HG23 VAL 18 4.368 -4.058 0.122
134 H ILE 19 HN ILE 19 1.398 -0.324 0.066
135 HA ILE 19 HA ILE 19 -0.656 -0.303 2.029
136 HB ILE 19 HB ILE 19 0.640 2.035 0.619
137 HG12 ILE 19 HG12 ILE 19 1.380 0.961 3.332
138 HG13 ILE 19 HG11 ILE 19 2.131 0.335 1.868
139 HG21 ILE 19 HG21 ILE 19 -0.883 1.875 3.215
140 HG22 ILE 19 HG22 ILE 19 -1.409 2.675 1.734
141 HG23 ILE 19 HG23 ILE 19 -0.022 3.297 2.628
142 HD11 ILE 19 HD11 ILE 19 2.988 2.527 1.335
143 HD12 ILE 19 HD12 ILE 19 3.479 2.060 2.964
144 HD13 ILE 19 HD13 ILE 19 2.166 3.215 2.735
145 H ALA 20 HN ALA 20 -0.437 0.844 -1.314
146 HA ALA 20 HA ALA 20 -2.971 2.041 -1.481
147 HB1 ALA 20 HB1 ALA 20 -1.433 0.727 -3.719
148 HB2 ALA 20 HB2 ALA 20 -1.122 2.353 -3.110
149 HB3 ALA 20 HB3 ALA 20 -2.670 1.976 -3.868
150 H GLY 21 HN GLY 21 -1.921 -1.290 -1.874
151 HA2 GLY 21 HA2 GLY 21 -4.288 -2.300 -3.040
152 HA3 GLY 21 HA1 GLY 21 -3.094 -3.243 -2.160
153 H ILE 22 HN ILE 22 -3.239 -2.093 0.346
154 HA ILE 22 HA ILE 22 -5.497 -3.386 1.441
155 HB ILE 22 HB ILE 22 -3.780 -1.300 2.795
156 HG12 ILE 22 HG12 ILE 22 -3.381 -4.297 2.792
157 HG13 ILE 22 HG11 ILE 22 -2.490 -3.197 1.745
158 HG21 ILE 22 HG21 ILE 22 -5.421 -3.561 3.930
159 HG22 ILE 22 HG22 ILE 22 -5.857 -1.853 3.969
160 HG23 ILE 22 HG23 ILE 22 -4.441 -2.422 4.852
161 HD11 ILE 22 HD11 ILE 22 -2.454 -3.223 4.753
162 HD12 ILE 22 HD12 ILE 22 -1.602 -2.063 3.734
163 HD13 ILE 22 HD13 ILE 22 -1.168 -3.771 3.677
164 H LEU 23 HN LEU 23 -4.773 -0.012 0.726
165 HA LEU 23 HA LEU 23 -7.009 1.142 1.977
166 HB2 LEU 23 HB2 LEU 23 -5.215 2.562 1.356
167 HB3 LEU 23 HB1 LEU 23 -5.264 2.021 -0.311
168 HG LEU 23 HG LEU 23 -7.406 3.171 -0.630
169 HD11 LEU 23 HD11 LEU 23 -7.013 4.116 2.207
170 HD12 LEU 23 HD12 LEU 23 -8.270 3.016 1.641
171 HD13 LEU 23 HD13 LEU 23 -8.253 4.691 1.092
172 HD21 LEU 23 HD21 LEU 23 -5.302 4.335 -1.103
173 HD22 LEU 23 HD22 LEU 23 -5.280 4.954 0.547
174 HD23 LEU 23 HD23 LEU 23 -6.560 5.445 -0.562
175 H ALA 24 HN ALA 24 -6.539 -0.262 -1.207
176 HA ALA 24 HA ALA 24 -8.943 0.592 -2.389
177 HB1 ALA 24 HB1 ALA 24 -7.289 -1.870 -2.935
178 HB2 ALA 24 HB2 ALA 24 -7.123 -0.295 -3.713
179 HB3 ALA 24 HB3 ALA 24 -8.576 -1.260 -3.975
180 H SER 25 HN SER 25 -8.140 -2.267 -0.470
181 HA SER 25 HA SER 25 -10.578 -3.628 -0.791
182 HB2 SER 25 HB2 SER 25 -8.587 -4.737 0.089
183 HB3 SER 25 HB1 SER 25 -8.622 -3.706 1.519
184 HG SER 25 HG SER 25 -10.411 -4.733 2.231
185 H MET 26 HN MET 26 -9.560 -1.129 1.469
186 HA MET 26 HA MET 26 -11.820 -1.316 3.176
187 HB2 MET 26 HB2 MET 26 -9.895 0.960 2.686
188 HB3 MET 26 HB1 MET 26 -11.112 0.950 3.955
189 HG2 MET 26 HG2 MET 26 -10.034 -1.157 4.812
190 HG3 MET 26 HG1 MET 26 -8.722 -0.847 3.677
191 HE1 MET 26 HE1 MET 26 -7.106 1.295 3.826
192 HE2 MET 26 HE2 MET 26 -7.362 2.605 4.977
193 HE3 MET 26 HE3 MET 26 -8.548 2.303 3.707
194 H ILE 27 HN ILE 27 -11.085 0.618 0.314
195 HA ILE 27 HA ILE 27 -13.384 2.264 0.435
196 HB ILE 27 HB ILE 27 -11.747 1.465 -1.977
197 HG12 ILE 27 HG12 ILE 27 -11.601 3.935 -0.233
198 HG13 ILE 27 HG11 ILE 27 -10.462 2.595 -0.182
199 HG21 ILE 27 HG21 ILE 27 -12.683 3.479 -3.027
200 HG22 ILE 27 HG22 ILE 27 -13.710 3.728 -1.615
201 HG23 ILE 27 HG23 ILE 27 -13.936 2.303 -2.629
202 HD11 ILE 27 HD11 ILE 27 -10.941 4.456 -2.495
203 HD12 ILE 27 HD12 ILE 27 -9.854 3.066 -2.520
204 HD13 ILE 27 HD13 ILE 27 -9.530 4.421 -1.437
205 H VAL 28 HN VAL 28 -12.707 -0.804 -1.205
206 HA VAL 28 HA VAL 28 -15.162 -1.005 -2.574
207 HB VAL 28 HB VAL 28 -13.331 -3.212 -1.615
208 HG11 VAL 28 HG11 VAL 28 -15.586 -3.276 -3.619
209 HG12 VAL 28 HG12 VAL 28 -15.543 -4.095 -2.057
210 HG13 VAL 28 HG13 VAL 28 -14.437 -4.586 -3.341
211 HG21 VAL 28 HG21 VAL 28 -12.262 -1.613 -3.137
212 HG22 VAL 28 HG22 VAL 28 -13.554 -1.869 -4.308
213 HG23 VAL 28 HG23 VAL 28 -12.466 -3.193 -3.893
214 H ASN 29 HN ASN 29 -14.110 -2.211 0.591
215 HA ASN 29 HA ASN 29 -16.444 -3.599 1.267
216 HB2 ASN 29 HB2 ASN 29 -14.344 -2.243 2.958
217 HB3 ASN 29 HB1 ASN 29 -15.678 -3.151 3.662
218 HD21 ASN 29 HD21 ASN 29 -12.821 -3.657 3.793
219 HD22 ASN 29 HD22 ASN 29 -12.579 -5.239 3.141
220 H TRP 30 HN TRP 30 -15.601 -0.206 1.494
221 HA TRP 30 HA TRP 30 -17.785 0.616 3.091
222 HB2 TRP 30 HB2 TRP 30 -16.071 2.186 2.999
223 HB3 TRP 30 HB1 TRP 30 -15.852 1.997 1.263
224 HD1 TRP 30 HD1 TRP 30 -18.730 3.301 3.545
225 HE1 TRP 30 HE1 TRP 30 -19.682 5.430 2.455
226 HE3 TRP 30 HE3 TRP 30 -15.767 3.476 -0.615
227 HZ2 TRP 30 HZ2 TRP 30 -19.235 6.977 0.137
228 HZ3 TRP 30 HZ3 TRP 30 -16.093 5.309 -2.220
229 HH2 TRP 30 HH2 TRP 30 -17.792 7.024 -1.852
230 H LEU 31 HN LEU 31 -17.275 0.599 -0.423
231 HA LEU 31 HA LEU 31 -19.787 1.651 -1.113
232 HB2 LEU 31 HB2 LEU 31 -17.734 0.045 -2.580
233 HB3 LEU 31 HB1 LEU 31 -19.277 0.407 -3.331
234 HG LEU 31 HG LEU 31 -17.525 2.576 -2.213
235 HD11 LEU 31 HD11 LEU 31 -16.189 1.341 -3.820
236 HD12 LEU 31 HD12 LEU 31 -16.665 2.905 -4.482
237 HD13 LEU 31 HD13 LEU 31 -17.494 1.438 -5.002
238 HD21 LEU 31 HD21 LEU 31 -18.783 3.977 -3.745
239 HD22 LEU 31 HD22 LEU 31 -19.878 3.105 -2.672
240 HD23 LEU 31 HD23 LEU 31 -19.664 2.569 -4.338
241 H ASN 32 HN ASN 32 -18.769 -1.551 -0.238
242 HA ASN 32 HA ASN 32 -20.916 -2.995 -1.371
243 HB2 ASN 32 HB2 ASN 32 -19.077 -3.631 0.935
244 HB3 ASN 32 HB1 ASN 32 -20.256 -4.769 0.289
245 HD21 ASN 32 HD21 ASN 32 -17.337 -4.916 0.391
246 HD22 ASN 32 HD22 ASN 32 -16.816 -5.131 -1.242
247 H LYS 33 HN LYS 33 -20.554 -1.311 1.705
248 HA LYS 33 HA LYS 33 -22.971 -2.433 2.801
249 HB2 LYS 33 HB2 LYS 33 -22.571 -1.083 4.719
250 HB3 LYS 33 HB1 LYS 33 -21.008 -1.684 4.186
251 HG2 LYS 33 HG2 LYS 33 -20.283 0.407 4.258
252 HG3 LYS 33 HG1 LYS 33 -21.316 0.742 2.867
253 HD2 LYS 33 HD2 LYS 33 -23.145 1.354 4.353
254 HD3 LYS 33 HD1 LYS 33 -22.146 0.976 5.758
255 HE2 LYS 33 HE2 LYS 33 -20.568 2.731 5.098
256 HE3 LYS 33 HE1 LYS 33 -21.576 3.111 3.703
257 HZ1 LYS 33 HZ1 LYS 33 -23.363 3.728 5.201
258 HZ2 LYS 33 HZ2 LYS 33 -21.975 4.634 5.538
259 HZ3 LYS 33 HZ3 LYS 33 -22.408 3.346 6.545
260 H ARG 34 HN ARG 34 -22.178 0.241 0.791
261 HA ARG 34 HA ARG 34 -24.812 1.452 1.273
262 HB2 ARG 34 HB2 ARG 34 -23.943 3.442 0.146
263 HB3 ARG 34 HB1 ARG 34 -22.919 2.984 1.499
264 HG2 ARG 34 HG2 ARG 34 -21.289 2.029 0.008
265 HG3 ARG 34 HG1 ARG 34 -22.340 2.319 -1.380
266 HD2 ARG 34 HD2 ARG 34 -21.126 4.428 0.403
267 HD3 ARG 34 HD1 ARG 34 -20.588 4.013 -1.223
268 HE ARG 34 HE ARG 34 -23.349 4.893 -0.909
269 HH11 ARG 34 HH11 ARG 34 -20.081 5.632 -1.871
270 HH12 ARG 34 HH12 ARG 34 -20.533 7.021 -2.802
271 HH21 ARG 34 HH21 ARG 34 -23.950 6.723 -2.132
272 HH22 ARG 34 HH22 ARG 34 -22.729 7.643 -2.947
273 H LYS 35 HN LYS 35 -23.402 -0.735 -0.711
274 HA LYS 35 HA LYS 35 -23.869 -1.618 -2.753
275 HB2 LYS 35 HB2 LYS 35 -26.486 -0.293 -2.075
276 HB3 LYS 35 HB1 LYS 35 -26.273 -1.214 -3.556
277 HG2 LYS 35 HG2 LYS 35 -27.266 -2.667 -1.982
278 HG3 LYS 35 HG1 LYS 35 -25.578 -3.159 -2.128
279 HD2 LYS 35 HD2 LYS 35 -25.039 -1.951 -0.076
280 HD3 LYS 35 HD1 LYS 35 -26.717 -1.422 0.062
281 HE2 LYS 35 HE2 LYS 35 -27.434 -3.752 0.262
282 HE3 LYS 35 HE1 LYS 35 -25.759 -4.283 0.118
283 HZ1 LYS 35 HZ1 LYS 35 -25.250 -3.075 2.156
284 HZ2 LYS 35 HZ2 LYS 35 -26.454 -4.233 2.421
285 HZ3 LYS 35 HZ3 LYS 35 -26.867 -2.597 2.299
Start of MODEL 18
1 H1 MET 1 HT1 MET 1 -26.153 2.429 -3.353
2 H2 MET 1 HT2 MET 1 -27.535 1.520 -3.001
3 H3 MET 1 HT3 MET 1 -26.843 1.442 -4.542
4 HA MET 1 HA MET 1 -26.325 -0.525 -3.248
5 HB2 MET 1 HB2 MET 1 -24.735 0.401 -4.949
6 HB3 MET 1 HB1 MET 1 -23.897 1.232 -3.647
7 HG2 MET 1 HG2 MET 1 -23.388 -0.921 -2.605
8 HG3 MET 1 HG1 MET 1 -24.216 -1.748 -3.924
9 HE1 MET 1 HE1 MET 1 -23.392 -0.055 -6.444
10 HE2 MET 1 HE2 MET 1 -23.330 -1.817 -6.425
11 HE3 MET 1 HE3 MET 1 -21.937 -0.892 -6.985
12 H THR 2 HN THR 2 -25.055 -1.444 -1.506
13 HA THR 2 HA THR 2 -25.479 -0.041 0.957
14 HB THR 2 HB THR 2 -23.869 -2.287 1.476
15 HG1 THR 2 HG1 THR 2 -25.893 -3.363 -0.039
16 HG21 THR 2 HG21 THR 2 -25.777 -1.514 2.806
17 HG22 THR 2 HG22 THR 2 -25.929 -3.222 2.396
18 HG23 THR 2 HG23 THR 2 -26.876 -2.017 1.522
19 H PHE 3 HN PHE 3 -24.076 1.071 2.157
20 HA PHE 3 HA PHE 3 -21.599 1.904 1.108
21 HB2 PHE 3 HB2 PHE 3 -23.169 3.003 2.896
22 HB3 PHE 3 HB1 PHE 3 -22.208 2.070 4.040
23 HD1 PHE 3 HD1 PHE 3 -21.733 4.330 1.124
24 HD2 PHE 3 HD2 PHE 3 -20.356 3.079 4.948
25 HE1 PHE 3 HE1 PHE 3 -20.003 6.077 1.066
26 HE2 PHE 3 HE2 PHE 3 -18.621 4.825 4.901
27 HZ PHE 3 HZ PHE 3 -18.444 6.328 2.957
28 H ALA 4 HN ALA 4 -22.503 -0.642 3.341
29 HA ALA 4 HA ALA 4 -19.886 -1.223 4.276
30 HB1 ALA 4 HB1 ALA 4 -21.897 -1.928 5.483
31 HB2 ALA 4 HB2 ALA 4 -20.848 -3.298 5.118
32 HB3 ALA 4 HB3 ALA 4 -22.306 -3.023 4.163
33 H GLU 5 HN GLU 5 -21.855 -2.446 1.609
34 HA GLU 5 HA GLU 5 -20.059 -4.497 0.833
35 HB2 GLU 5 HB2 GLU 5 -22.252 -3.059 -0.660
36 HB3 GLU 5 HB1 GLU 5 -21.330 -4.386 -1.354
37 HG2 GLU 5 HG2 GLU 5 -23.031 -4.526 1.126
38 HG3 GLU 5 HG1 GLU 5 -23.466 -5.143 -0.467
39 H LEU 6 HN LEU 6 -20.413 -1.105 -0.031
40 HA LEU 6 HA LEU 6 -18.317 -1.255 -2.029
41 HB2 LEU 6 HB2 LEU 6 -20.371 0.269 -2.133
42 HB3 LEU 6 HB1 LEU 6 -19.569 1.246 -0.916
43 HG LEU 6 HG LEU 6 -17.937 0.660 -3.297
44 HD11 LEU 6 HD11 LEU 6 -20.338 2.476 -3.478
45 HD12 LEU 6 HD12 LEU 6 -20.127 0.953 -4.341
46 HD13 LEU 6 HD13 LEU 6 -19.063 2.316 -4.686
47 HD21 LEU 6 HD21 LEU 6 -18.598 3.223 -1.851
48 HD22 LEU 6 HD22 LEU 6 -17.295 2.968 -3.013
49 HD23 LEU 6 HD23 LEU 6 -17.253 2.156 -1.448
50 H GLY 7 HN GLY 7 -18.538 -0.903 1.311
51 HA2 GLY 7 HA2 GLY 7 -16.418 0.913 1.802
52 HA3 GLY 7 HA1 GLY 7 -17.067 -0.247 2.948
53 H MET 8 HN MET 8 -16.488 -2.651 1.899
54 HA MET 8 HA MET 8 -13.737 -2.921 2.467
55 HB2 MET 8 HB2 MET 8 -15.661 -4.875 1.194
56 HB3 MET 8 HB1 MET 8 -14.052 -5.286 1.771
57 HG2 MET 8 HG2 MET 8 -16.279 -4.204 3.482
58 HG3 MET 8 HG1 MET 8 -15.824 -5.903 3.355
59 HE1 MET 8 HE1 MET 8 -14.573 -4.929 6.943
60 HE2 MET 8 HE2 MET 8 -15.517 -6.084 6.003
61 HE3 MET 8 HE3 MET 8 -16.045 -4.405 6.124
62 H ALA 9 HN ALA 9 -15.535 -3.069 -0.594
63 HA ALA 9 HA ALA 9 -13.354 -3.715 -2.240
64 HB1 ALA 9 HB1 ALA 9 -14.746 -2.888 -4.089
65 HB2 ALA 9 HB2 ALA 9 -15.869 -2.195 -2.918
66 HB3 ALA 9 HB3 ALA 9 -15.645 -3.942 -2.998
67 H PHE 10 HN PHE 10 -14.719 -0.571 -1.326
68 HA PHE 10 HA PHE 10 -12.923 0.965 -2.900
69 HB2 PHE 10 HB2 PHE 10 -14.944 2.024 -2.327
70 HB3 PHE 10 HB1 PHE 10 -14.785 1.607 -0.627
71 HD1 PHE 10 HD1 PHE 10 -14.548 3.447 0.682
72 HD2 PHE 10 HD2 PHE 10 -12.607 3.372 -3.105
73 HE1 PHE 10 HE1 PHE 10 -13.565 5.656 1.146
74 HE2 PHE 10 HE2 PHE 10 -11.625 5.579 -2.651
75 HZ PHE 10 HZ PHE 10 -12.102 6.726 -0.523
76 H TRP 11 HN TRP 11 -12.931 0.014 0.524
77 HA TRP 11 HA TRP 11 -10.646 1.500 1.247
78 HB2 TRP 11 HB2 TRP 11 -12.206 -0.714 2.459
79 HB3 TRP 11 HB1 TRP 11 -10.566 -0.479 3.052
80 HD1 TRP 11 HD1 TRP 11 -13.993 0.676 3.656
81 HE1 TRP 11 HE1 TRP 11 -14.011 2.793 5.118
82 HE3 TRP 11 HE3 TRP 11 -9.047 1.938 3.322
83 HZ2 TRP 11 HZ2 TRP 11 -12.175 4.741 6.011
84 HZ3 TRP 11 HZ3 TRP 11 -8.261 3.943 4.513
85 HH2 TRP 11 HH2 TRP 11 -9.794 5.316 5.827
86 H HIS 12 HN HIS 12 -11.048 -1.825 0.125
87 HA HIS 12 HA HIS 12 -8.319 -2.547 0.390
88 HB2 HIS 12 HB2 HIS 12 -10.589 -3.708 -1.224
89 HB3 HIS 12 HB1 HIS 12 -8.973 -4.409 -1.217
90 HD1 HIS 12 HD1 HIS 12 -10.607 -3.058 1.910
91 HD2 HIS 12 HD2 HIS 12 -9.673 -6.694 0.130
92 HE1 HIS 12 HE1 HIS 12 -11.033 -4.835 3.659
93 H ASP 13 HN ASP 13 -10.240 -1.235 -2.267
94 HA ASP 13 HA ASP 13 -8.235 -1.451 -4.247
95 HB2 ASP 13 HB2 ASP 13 -10.586 -1.161 -4.835
96 HB3 ASP 13 HB1 ASP 13 -10.598 0.430 -4.079
97 H LEU 14 HN LEU 14 -9.156 1.181 -2.047
98 HA LEU 14 HA LEU 14 -7.218 2.995 -3.099
99 HB2 LEU 14 HB2 LEU 14 -7.871 4.501 -1.435
100 HB3 LEU 14 HB1 LEU 14 -9.327 3.629 -1.854
101 HG LEU 14 HG LEU 14 -8.627 2.145 0.223
102 HD11 LEU 14 HD11 LEU 14 -7.568 4.821 1.070
103 HD12 LEU 14 HD12 LEU 14 -6.512 3.557 0.444
104 HD13 LEU 14 HD13 LEU 14 -7.455 3.272 1.908
105 HD21 LEU 14 HD21 LEU 14 -10.724 3.347 0.000
106 HD22 LEU 14 HD22 LEU 14 -9.920 4.864 0.404
107 HD23 LEU 14 HD23 LEU 14 -10.053 3.588 1.613
108 H ALA 15 HN ALA 15 -7.245 0.557 -0.633
109 HA ALA 15 HA ALA 15 -4.884 1.370 0.719
110 HB1 ALA 15 HB1 ALA 15 -6.109 -1.381 0.590
111 HB2 ALA 15 HB2 ALA 15 -6.579 -0.112 1.721
112 HB3 ALA 15 HB3 ALA 15 -4.953 -0.795 1.787
113 H ALA 16 HN ALA 16 -5.516 -0.686 -2.058
114 HA ALA 16 HA ALA 16 -3.191 -2.116 -2.277
115 HB1 ALA 16 HB1 ALA 16 -5.072 -2.405 -3.788
116 HB2 ALA 16 HB2 ALA 16 -3.574 -2.175 -4.690
117 HB3 ALA 16 HB3 ALA 16 -4.725 -0.849 -4.541
118 HA PRO 17 HA PRO 17 -0.902 1.485 -4.520
119 HB2 PRO 17 HB2 PRO 17 -1.985 3.976 -4.433
120 HB3 PRO 17 HB1 PRO 17 -2.364 2.815 -5.719
121 HG2 PRO 17 HG2 PRO 17 -3.944 3.517 -3.295
122 HG3 PRO 17 HG1 PRO 17 -4.490 3.249 -4.963
123 HD2 PRO 17 HD2 PRO 17 -4.720 1.365 -3.036
124 HD3 PRO 17 HD1 PRO 17 -4.480 0.969 -4.747
125 H VAL 18 HN VAL 18 -2.665 2.112 -1.566
126 HA VAL 18 HA VAL 18 -0.865 4.014 -0.457
127 HB VAL 18 HB VAL 18 -2.868 2.176 0.866
128 HG11 VAL 18 HG11 VAL 18 -2.649 3.619 2.844
129 HG12 VAL 18 HG12 VAL 18 -1.314 4.467 2.064
130 HG13 VAL 18 HG13 VAL 18 -1.153 2.760 2.478
131 HG21 VAL 18 HG21 VAL 18 -4.350 4.000 0.881
132 HG22 VAL 18 HG22 VAL 18 -3.638 4.011 -0.733
133 HG23 VAL 18 HG23 VAL 18 -3.072 5.149 0.488
134 H ILE 19 HN ILE 19 -1.275 0.523 -0.002
135 HA ILE 19 HA ILE 19 0.922 0.221 1.772
136 HB ILE 19 HB ILE 19 -0.395 -1.892 0.061
137 HG12 ILE 19 HG12 ILE 19 -1.054 -1.307 2.938
138 HG13 ILE 19 HG11 ILE 19 -1.870 -0.450 1.634
139 HG21 ILE 19 HG21 ILE 19 0.390 -3.431 1.814
140 HG22 ILE 19 HG22 ILE 19 1.219 -2.088 2.602
141 HG23 ILE 19 HG23 ILE 19 1.723 -2.615 0.996
142 HD11 ILE 19 HD11 ILE 19 -2.710 -2.532 0.750
143 HD12 ILE 19 HD12 ILE 19 -3.147 -2.372 2.452
144 HD13 ILE 19 HD13 ILE 19 -1.824 -3.438 1.978
145 H ALA 20 HN ALA 20 0.497 -0.105 -1.712
146 HA ALA 20 HA ALA 20 3.027 -1.245 -2.265
147 HB1 ALA 20 HB1 ALA 20 2.593 -0.622 -4.585
148 HB2 ALA 20 HB2 ALA 20 1.255 0.404 -4.068
149 HB3 ALA 20 HB3 ALA 20 1.162 -1.343 -3.847
150 H GLY 21 HN GLY 21 1.876 2.079 -2.025
151 HA2 GLY 21 HA2 GLY 21 4.196 3.333 -3.045
152 HA3 GLY 21 HA1 GLY 21 2.996 4.085 -2.003
153 H ILE 22 HN ILE 22 3.202 2.556 0.269
154 HA ILE 22 HA ILE 22 5.500 3.666 1.505
155 HB ILE 22 HB ILE 22 3.620 1.536 2.539
156 HG12 ILE 22 HG12 ILE 22 3.624 4.516 3.062
157 HG13 ILE 22 HG11 ILE 22 2.561 3.720 1.907
158 HG21 ILE 22 HG21 ILE 22 5.605 3.284 3.989
159 HG22 ILE 22 HG22 ILE 22 5.703 1.536 3.774
160 HG23 ILE 22 HG23 ILE 22 4.420 2.231 4.764
161 HD11 ILE 22 HD11 ILE 22 1.450 4.189 4.033
162 HD12 ILE 22 HD12 ILE 22 2.629 3.176 4.866
163 HD13 ILE 22 HD13 ILE 22 1.523 2.460 3.693
164 H LEU 23 HN LEU 23 4.691 0.474 0.276
165 HA LEU 23 HA LEU 23 6.877 -0.930 1.371
166 HB2 LEU 23 HB2 LEU 23 4.991 -2.140 0.521
167 HB3 LEU 23 HB1 LEU 23 5.178 -1.426 -1.069
168 HG LEU 23 HG LEU 23 7.310 -2.654 -1.348
169 HD11 LEU 23 HD11 LEU 23 7.862 -4.458 0.210
170 HD12 LEU 23 HD12 LEU 23 6.550 -3.941 1.270
171 HD13 LEU 23 HD13 LEU 23 7.931 -2.878 0.993
172 HD21 LEU 23 HD21 LEU 23 5.212 -3.575 -2.201
173 HD22 LEU 23 HD22 LEU 23 4.943 -4.390 -0.660
174 HD23 LEU 23 HD23 LEU 23 6.309 -4.851 -1.674
175 H ALA 24 HN ALA 24 6.446 0.845 -1.645
176 HA ALA 24 HA ALA 24 8.828 0.105 -2.911
177 HB1 ALA 24 HB1 ALA 24 8.530 2.108 -4.271
178 HB2 ALA 24 HB2 ALA 24 7.333 2.716 -3.127
179 HB3 ALA 24 HB3 ALA 24 7.002 1.255 -4.057
180 H SER 25 HN SER 25 8.130 2.776 -0.688
181 HA SER 25 HA SER 25 10.643 4.019 -0.814
182 HB2 SER 25 HB2 SER 25 8.718 5.152 0.146
183 HB3 SER 25 HB1 SER 25 8.626 3.959 1.441
184 HG SER 25 HG SER 25 10.061 5.068 2.480
185 H MET 26 HN MET 26 9.434 1.392 1.214
186 HA MET 26 HA MET 26 11.679 1.279 2.940
187 HB2 MET 26 HB2 MET 26 9.654 -0.851 2.232
188 HB3 MET 26 HB1 MET 26 10.822 -0.976 3.540
189 HG2 MET 26 HG2 MET 26 9.801 1.113 4.500
190 HG3 MET 26 HG1 MET 26 8.522 0.940 3.300
191 HE1 MET 26 HE1 MET 26 8.157 -2.176 3.103
192 HE2 MET 26 HE2 MET 26 6.786 -1.077 3.256
193 HE3 MET 26 HE3 MET 26 6.913 -2.482 4.315
194 H ILE 27 HN ILE 27 10.853 -0.425 -0.050
195 HA ILE 27 HA ILE 27 13.053 -2.190 -0.041
196 HB ILE 27 HB ILE 27 11.468 -1.130 -2.385
197 HG12 ILE 27 HG12 ILE 27 11.229 -3.745 -0.878
198 HG13 ILE 27 HG11 ILE 27 10.165 -2.361 -0.651
199 HG21 ILE 27 HG21 ILE 27 13.612 -1.992 -3.123
200 HG22 ILE 27 HG22 ILE 27 12.321 -3.098 -3.592
201 HG23 ILE 27 HG23 ILE 27 13.352 -3.480 -2.213
202 HD11 ILE 27 HD11 ILE 27 10.494 -3.955 -3.181
203 HD12 ILE 27 HD12 ILE 27 9.448 -2.549 -2.985
204 HD13 ILE 27 HD13 ILE 27 9.127 -4.021 -2.068
205 H VAL 28 HN VAL 28 12.601 1.044 -1.414
206 HA VAL 28 HA VAL 28 15.100 1.142 -2.750
207 HB VAL 28 HB VAL 28 13.353 3.407 -1.773
208 HG11 VAL 28 HG11 VAL 28 14.578 4.787 -3.403
209 HG12 VAL 28 HG12 VAL 28 15.662 3.431 -3.715
210 HG13 VAL 28 HG13 VAL 28 15.626 4.182 -2.120
211 HG21 VAL 28 HG21 VAL 28 12.293 1.872 -3.400
212 HG22 VAL 28 HG22 VAL 28 13.606 2.205 -4.528
213 HG23 VAL 28 HG23 VAL 28 12.517 3.501 -4.035
214 H ASN 29 HN ASN 29 14.033 2.154 0.467
215 HA ASN 29 HA ASN 29 16.398 3.463 1.245
216 HB2 ASN 29 HB2 ASN 29 14.240 2.090 2.851
217 HB3 ASN 29 HB1 ASN 29 15.574 2.961 3.596
218 HD21 ASN 29 HD21 ASN 29 12.722 3.486 3.715
219 HD22 ASN 29 HD22 ASN 29 12.499 5.090 3.116
220 H TRP 30 HN TRP 30 15.399 0.095 1.404
221 HA TRP 30 HA TRP 30 17.593 -0.824 2.954
222 HB2 TRP 30 HB2 TRP 30 15.776 -2.270 2.997
223 HB3 TRP 30 HB1 TRP 30 15.477 -2.113 1.272
224 HD1 TRP 30 HD1 TRP 30 18.380 -3.572 3.431
225 HE1 TRP 30 HE1 TRP 30 19.091 -5.804 2.365
226 HE3 TRP 30 HE3 TRP 30 15.154 -3.640 -0.531
227 HZ2 TRP 30 HZ2 TRP 30 18.375 -7.386 0.136
228 HZ3 TRP 30 HZ3 TRP 30 15.229 -5.547 -2.083
229 HH2 TRP 30 HH2 TRP 30 16.807 -7.381 -1.755
230 H LEU 31 HN LEU 31 16.926 -0.909 -0.540
231 HA LEU 31 HA LEU 31 19.338 -2.146 -1.282
232 HB2 LEU 31 HB2 LEU 31 17.307 -0.506 -2.736
233 HB3 LEU 31 HB1 LEU 31 18.790 -0.993 -3.538
234 HG LEU 31 HG LEU 31 16.963 -2.984 -2.220
235 HD11 LEU 31 HD11 LEU 31 16.936 -2.080 -5.094
236 HD12 LEU 31 HD12 LEU 31 15.679 -1.763 -3.899
237 HD13 LEU 31 HD13 LEU 31 16.005 -3.416 -4.418
238 HD21 LEU 31 HD21 LEU 31 19.064 -3.244 -4.366
239 HD22 LEU 31 HD22 LEU 31 18.092 -4.557 -3.698
240 HD23 LEU 31 HD23 LEU 31 19.250 -3.707 -2.675
241 H ASN 32 HN ASN 32 18.515 1.209 -0.707
242 HA ASN 32 HA ASN 32 20.877 2.280 -1.905
243 HB2 ASN 32 HB2 ASN 32 18.747 3.432 -0.122
244 HB3 ASN 32 HB1 ASN 32 20.163 4.368 -0.588
245 HD21 ASN 32 HD21 ASN 32 18.704 2.005 -2.697
246 HD22 ASN 32 HD22 ASN 32 18.065 3.132 -3.839
247 H LYS 33 HN LYS 33 20.076 1.114 1.291
248 HA LYS 33 HA LYS 33 22.474 2.303 2.429
249 HB2 LYS 33 HB2 LYS 33 21.706 1.498 4.558
250 HB3 LYS 33 HB1 LYS 33 20.357 2.254 3.725
251 HG2 LYS 33 HG2 LYS 33 19.299 0.401 4.457
252 HG3 LYS 33 HG1 LYS 33 19.944 -0.256 2.955
253 HD2 LYS 33 HD2 LYS 33 21.918 -1.078 4.242
254 HD3 LYS 33 HD1 LYS 33 21.110 -0.551 5.720
255 HE2 LYS 33 HE2 LYS 33 19.249 -2.054 5.247
256 HE3 LYS 33 HE1 LYS 33 20.027 -2.561 3.748
257 HZ1 LYS 33 HZ1 LYS 33 21.076 -2.983 6.494
258 HZ2 LYS 33 HZ2 LYS 33 21.878 -3.421 5.072
259 HZ3 LYS 33 HZ3 LYS 33 20.417 -4.168 5.481
260 H ARG 34 HN ARG 34 21.436 -0.727 1.117
261 HA ARG 34 HA ARG 34 23.610 -2.210 2.344
262 HB2 ARG 34 HB2 ARG 34 22.738 -4.145 1.215
263 HB3 ARG 34 HB1 ARG 34 21.392 -3.267 1.926
264 HG2 ARG 34 HG2 ARG 34 20.677 -2.462 -0.168
265 HG3 ARG 34 HG1 ARG 34 22.186 -2.935 -0.951
266 HD2 ARG 34 HD2 ARG 34 20.121 -4.806 0.205
267 HD3 ARG 34 HD1 ARG 34 20.369 -4.472 -1.508
268 HE ARG 34 HE ARG 34 22.756 -5.399 -0.268
269 HH11 ARG 34 HH11 ARG 34 19.691 -6.461 -1.549
270 HH12 ARG 34 HH12 ARG 34 20.253 -8.057 -1.914
271 HH21 ARG 34 HH21 ARG 34 23.499 -7.500 -0.748
272 HH22 ARG 34 HH22 ARG 34 22.414 -8.647 -1.461
273 H LYS 35 HN LYS 35 23.957 0.087 0.382
274 HA LYS 35 HA LYS 35 24.957 -0.860 -2.051
275 HB2 LYS 35 HB2 LYS 35 26.278 1.309 -2.046
276 HB3 LYS 35 HB1 LYS 35 24.535 1.459 -1.879
277 HG2 LYS 35 HG2 LYS 35 24.859 1.659 0.584
278 HG3 LYS 35 HG1 LYS 35 26.600 1.701 0.295
279 HD2 LYS 35 HD2 LYS 35 26.243 3.675 -1.179
280 HD3 LYS 35 HD1 LYS 35 24.542 3.664 -0.707
281 HE2 LYS 35 HE2 LYS 35 25.190 3.975 1.631
282 HE3 LYS 35 HE1 LYS 35 26.890 3.979 1.162
283 HZ1 LYS 35 HZ1 LYS 35 24.848 5.962 0.312
284 HZ2 LYS 35 HZ2 LYS 35 26.469 5.961 -0.169
285 HZ3 LYS 35 HZ3 LYS 35 26.069 6.221 1.454
Start of MODEL 19
1 H1 MET 1 HT1 MET 1 -26.149 2.092 -3.417
2 H2 MET 1 HT2 MET 1 -27.524 1.190 -3.021
3 H3 MET 1 HT3 MET 1 -26.852 1.071 -4.568
4 HA MET 1 HA MET 1 -26.310 -0.859 -3.226
5 HB2 MET 1 HB2 MET 1 -24.754 0.033 -4.979
6 HB3 MET 1 HB1 MET 1 -23.889 0.885 -3.709
7 HG2 MET 1 HG2 MET 1 -23.322 -1.220 -2.648
8 HG3 MET 1 HG1 MET 1 -24.245 -2.099 -3.866
9 HE1 MET 1 HE1 MET 1 -22.156 -1.425 -7.110
10 HE2 MET 1 HE2 MET 1 -23.539 -0.502 -6.520
11 HE3 MET 1 HE3 MET 1 -23.547 -2.263 -6.423
12 H THR 2 HN THR 2 -25.267 -1.758 -1.415
13 HA THR 2 HA THR 2 -25.617 -0.320 0.991
14 HB THR 2 HB THR 2 -23.949 -2.432 1.648
15 HG1 THR 2 HG1 THR 2 -24.225 -2.981 -0.698
16 HG21 THR 2 HG21 THR 2 -26.054 -1.842 2.749
17 HG22 THR 2 HG22 THR 2 -26.009 -3.557 2.343
18 HG23 THR 2 HG23 THR 2 -26.956 -2.442 1.358
19 H PHE 3 HN PHE 3 -24.290 0.947 2.112
20 HA PHE 3 HA PHE 3 -21.825 1.816 1.055
21 HB2 PHE 3 HB2 PHE 3 -23.483 2.949 2.759
22 HB3 PHE 3 HB1 PHE 3 -22.472 2.151 3.960
23 HD1 PHE 3 HD1 PHE 3 -20.677 3.319 4.790
24 HD2 PHE 3 HD2 PHE 3 -22.120 4.234 0.895
25 HE1 PHE 3 HE1 PHE 3 -19.041 5.149 4.619
26 HE2 PHE 3 HE2 PHE 3 -20.488 6.063 0.714
27 HZ PHE 3 HZ PHE 3 -18.944 6.525 2.578
28 H ALA 4 HN ALA 4 -22.685 -0.613 3.426
29 HA ALA 4 HA ALA 4 -20.079 -1.041 4.457
30 HB1 ALA 4 HB1 ALA 4 -22.056 -1.752 5.676
31 HB2 ALA 4 HB2 ALA 4 -21.004 -3.132 5.357
32 HB3 ALA 4 HB3 ALA 4 -22.461 -2.891 4.392
33 H GLU 5 HN GLU 5 -21.923 -2.494 1.815
34 HA GLU 5 HA GLU 5 -20.007 -4.504 1.216
35 HB2 GLU 5 HB2 GLU 5 -22.246 -3.314 -0.423
36 HB3 GLU 5 HB1 GLU 5 -21.251 -4.658 -0.969
37 HG2 GLU 5 HG2 GLU 5 -23.002 -4.636 1.478
38 HG3 GLU 5 HG1 GLU 5 -23.363 -5.432 -0.053
39 H LEU 6 HN LEU 6 -20.556 -1.216 0.068
40 HA LEU 6 HA LEU 6 -18.432 -1.404 -1.888
41 HB2 LEU 6 HB2 LEU 6 -20.560 0.031 -2.063
42 HB3 LEU 6 HB1 LEU 6 -19.755 1.130 -0.957
43 HG LEU 6 HG LEU 6 -18.212 0.361 -3.362
44 HD11 LEU 6 HD11 LEU 6 -20.603 2.191 -3.515
45 HD12 LEU 6 HD12 LEU 6 -20.441 0.626 -4.310
46 HD13 LEU 6 HD13 LEU 6 -19.392 1.964 -4.777
47 HD21 LEU 6 HD21 LEU 6 -17.239 1.927 -1.853
48 HD22 LEU 6 HD22 LEU 6 -18.709 2.898 -1.818
49 HD23 LEU 6 HD23 LEU 6 -17.737 2.824 -3.287
50 H GLY 7 HN GLY 7 -18.685 -0.817 1.426
51 HA2 GLY 7 HA2 GLY 7 -16.591 1.079 1.755
52 HA3 GLY 7 HA1 GLY 7 -17.245 0.033 3.005
53 H MET 8 HN MET 8 -16.674 -2.465 1.902
54 HA MET 8 HA MET 8 -13.927 -2.710 2.616
55 HB2 MET 8 HB2 MET 8 -15.826 -4.735 1.416
56 HB3 MET 8 HB1 MET 8 -14.239 -5.108 2.075
57 HG2 MET 8 HG2 MET 8 -16.582 -3.992 3.597
58 HG3 MET 8 HG1 MET 8 -15.981 -5.647 3.663
59 HE1 MET 8 HE1 MET 8 -16.455 -3.670 6.216
60 HE2 MET 8 HE2 MET 8 -15.051 -4.126 7.180
61 HE3 MET 8 HE3 MET 8 -15.976 -5.364 6.331
62 H ALA 9 HN ALA 9 -15.703 -3.038 -0.440
63 HA ALA 9 HA ALA 9 -13.497 -3.747 -2.033
64 HB1 ALA 9 HB1 ALA 9 -15.807 -4.050 -2.762
65 HB2 ALA 9 HB2 ALA 9 -14.891 -3.100 -3.934
66 HB3 ALA 9 HB3 ALA 9 -16.019 -2.301 -2.838
67 H PHE 10 HN PHE 10 -14.904 -0.599 -1.232
68 HA PHE 10 HA PHE 10 -13.174 0.916 -2.899
69 HB2 PHE 10 HB2 PHE 10 -15.212 1.949 -2.302
70 HB3 PHE 10 HB1 PHE 10 -14.979 1.614 -0.592
71 HD1 PHE 10 HD1 PHE 10 -14.830 3.561 0.575
72 HD2 PHE 10 HD2 PHE 10 -12.846 3.270 -3.179
73 HE1 PHE 10 HE1 PHE 10 -13.891 5.812 0.902
74 HE2 PHE 10 HE2 PHE 10 -11.904 5.521 -2.860
75 HZ PHE 10 HZ PHE 10 -12.427 6.796 -0.817
76 H TRP 11 HN TRP 11 -13.107 0.113 0.568
77 HA TRP 11 HA TRP 11 -10.811 1.635 1.170
78 HB2 TRP 11 HB2 TRP 11 -12.375 -0.475 2.521
79 HB3 TRP 11 HB1 TRP 11 -10.697 -0.329 3.031
80 HD1 TRP 11 HD1 TRP 11 -14.007 1.033 3.797
81 HE1 TRP 11 HE1 TRP 11 -13.818 3.189 5.192
82 HE3 TRP 11 HE3 TRP 11 -9.034 2.007 3.114
83 HZ2 TRP 11 HZ2 TRP 11 -11.823 5.056 5.906
84 HZ3 TRP 11 HZ3 TRP 11 -8.064 3.997 4.187
85 HH2 TRP 11 HH2 TRP 11 -9.430 5.489 5.552
86 H HIS 12 HN HIS 12 -11.223 -1.733 0.189
87 HA HIS 12 HA HIS 12 -8.488 -2.439 0.430
88 HB2 HIS 12 HB2 HIS 12 -10.756 -3.665 -1.147
89 HB3 HIS 12 HB1 HIS 12 -9.145 -4.372 -1.061
90 HD1 HIS 12 HD1 HIS 12 -10.601 -2.841 2.028
91 HD2 HIS 12 HD2 HIS 12 -10.159 -6.592 0.297
92 HE1 HIS 12 HE1 HIS 12 -11.171 -4.524 3.828
93 H ASP 13 HN ASP 13 -10.460 -1.238 -2.241
94 HA ASP 13 HA ASP 13 -8.501 -1.519 -4.255
95 HB2 ASP 13 HB2 ASP 13 -10.920 -1.228 -4.711
96 HB3 ASP 13 HB1 ASP 13 -10.808 0.435 -4.141
97 H LEU 14 HN LEU 14 -9.377 1.191 -2.133
98 HA LEU 14 HA LEU 14 -7.472 2.972 -3.299
99 HB2 LEU 14 HB2 LEU 14 -8.112 4.544 -1.701
100 HB3 LEU 14 HB1 LEU 14 -9.567 3.636 -2.041
101 HG LEU 14 HG LEU 14 -8.814 2.264 0.086
102 HD11 LEU 14 HD11 LEU 14 -6.696 3.432 0.368
103 HD12 LEU 14 HD12 LEU 14 -7.759 3.710 1.749
104 HD13 LEU 14 HD13 LEU 14 -7.553 4.964 0.525
105 HD21 LEU 14 HD21 LEU 14 -10.087 4.996 0.193
106 HD22 LEU 14 HD22 LEU 14 -10.204 3.760 1.445
107 HD23 LEU 14 HD23 LEU 14 -10.913 3.475 -0.144
108 H ALA 15 HN ALA 15 -7.425 0.643 -0.725
109 HA ALA 15 HA ALA 15 -5.044 1.555 0.528
110 HB1 ALA 15 HB1 ALA 15 -5.060 -0.561 1.705
111 HB2 ALA 15 HB2 ALA 15 -6.260 -1.203 0.582
112 HB3 ALA 15 HB3 ALA 15 -6.684 0.124 1.664
113 H ALA 16 HN ALA 16 -5.707 -0.664 -2.117
114 HA ALA 16 HA ALA 16 -3.370 -2.074 -2.308
115 HB1 ALA 16 HB1 ALA 16 -4.934 -0.937 -4.622
116 HB2 ALA 16 HB2 ALA 16 -5.294 -2.436 -3.767
117 HB3 ALA 16 HB3 ALA 16 -3.800 -2.285 -4.694
118 HA PRO 17 HA PRO 17 -1.160 1.437 -4.771
119 HB2 PRO 17 HB2 PRO 17 -2.273 3.918 -4.778
120 HB3 PRO 17 HB1 PRO 17 -2.659 2.693 -6.003
121 HG2 PRO 17 HG2 PRO 17 -4.207 3.489 -3.586
122 HG3 PRO 17 HG1 PRO 17 -4.777 3.137 -5.230
123 HD2 PRO 17 HD2 PRO 17 -4.951 1.343 -3.215
124 HD3 PRO 17 HD1 PRO 17 -4.733 0.870 -4.910
125 H VAL 18 HN VAL 18 -2.884 2.216 -1.826
126 HA VAL 18 HA VAL 18 -1.062 4.167 -0.842
127 HB VAL 18 HB VAL 18 -3.083 2.442 0.595
128 HG11 VAL 18 HG11 VAL 18 -2.844 4.016 2.472
129 HG12 VAL 18 HG12 VAL 18 -1.492 4.782 1.638
130 HG13 VAL 18 HG13 VAL 18 -1.366 3.104 2.169
131 HG21 VAL 18 HG21 VAL 18 -3.854 4.162 -1.111
132 HG22 VAL 18 HG22 VAL 18 -3.244 5.386 0.004
133 HG23 VAL 18 HG23 VAL 18 -4.536 4.296 0.510
134 H ILE 19 HN ILE 19 -1.479 0.706 -0.200
135 HA ILE 19 HA ILE 19 0.664 0.510 1.651
136 HB ILE 19 HB ILE 19 -0.580 -1.707 0.021
137 HG12 ILE 19 HG12 ILE 19 -1.353 -0.972 2.833
138 HG13 ILE 19 HG11 ILE 19 -2.122 -0.188 1.457
139 HG21 ILE 19 HG21 ILE 19 0.921 -1.748 2.637
140 HG22 ILE 19 HG22 ILE 19 1.515 -2.334 1.084
141 HG23 ILE 19 HG23 ILE 19 0.158 -3.141 1.870
142 HD11 ILE 19 HD11 ILE 19 -2.887 -2.343 0.641
143 HD12 ILE 19 HD12 ILE 19 -3.439 -2.057 2.291
144 HD13 ILE 19 HD13 ILE 19 -2.087 -3.149 1.990
145 H ALA 20 HN ALA 20 0.346 -0.212 -1.806
146 HA ALA 20 HA ALA 20 2.862 -1.353 -2.218
147 HB1 ALA 20 HB1 ALA 20 1.029 -1.414 -3.859
148 HB2 ALA 20 HB2 ALA 20 2.543 -0.849 -4.567
149 HB3 ALA 20 HB3 ALA 20 1.270 0.306 -4.171
150 H GLY 21 HN GLY 21 1.861 2.026 -2.109
151 HA2 GLY 21 HA2 GLY 21 4.261 3.141 -3.109
152 HA3 GLY 21 HA1 GLY 21 3.075 3.979 -2.118
153 H ILE 22 HN ILE 22 3.164 2.487 0.198
154 HA ILE 22 HA ILE 22 5.466 3.542 1.469
155 HB ILE 22 HB ILE 22 3.536 1.461 2.509
156 HG12 ILE 22 HG12 ILE 22 3.489 4.451 2.958
157 HG13 ILE 22 HG11 ILE 22 2.512 3.638 1.739
158 HG21 ILE 22 HG21 ILE 22 5.601 1.552 3.791
159 HG22 ILE 22 HG22 ILE 22 4.262 2.220 4.725
160 HG23 ILE 22 HG23 ILE 22 5.433 3.299 3.966
161 HD11 ILE 22 HD11 ILE 22 2.381 3.132 4.702
162 HD12 ILE 22 HD12 ILE 22 1.374 2.376 3.467
163 HD13 ILE 22 HD13 ILE 22 1.246 4.108 3.770
164 H LEU 23 HN LEU 23 4.588 0.362 0.265
165 HA LEU 23 HA LEU 23 6.678 -1.110 1.440
166 HB2 LEU 23 HB2 LEU 23 4.748 -2.213 0.503
167 HB3 LEU 23 HB1 LEU 23 5.095 -1.565 -1.087
168 HG LEU 23 HG LEU 23 7.106 -2.940 -1.235
169 HD11 LEU 23 HD11 LEU 23 7.566 -4.649 0.465
170 HD12 LEU 23 HD12 LEU 23 6.283 -3.981 1.473
171 HD13 LEU 23 HD13 LEU 23 7.715 -3.016 1.115
172 HD21 LEU 23 HD21 LEU 23 6.015 -5.128 -1.371
173 HD22 LEU 23 HD22 LEU 23 5.003 -3.852 -2.049
174 HD23 LEU 23 HD23 LEU 23 4.650 -4.501 -0.447
175 H ALA 24 HN ALA 24 6.462 0.782 -1.507
176 HA ALA 24 HA ALA 24 8.865 -0.071 -2.709
177 HB1 ALA 24 HB1 ALA 24 8.697 2.011 -4.024
178 HB2 ALA 24 HB2 ALA 24 7.391 2.548 -2.965
179 HB3 ALA 24 HB3 ALA 24 7.178 1.116 -3.972
180 H SER 25 HN SER 25 8.140 2.576 -0.474
181 HA SER 25 HA SER 25 10.650 3.800 -0.460
182 HB2 SER 25 HB2 SER 25 8.655 3.571 1.810
183 HB3 SER 25 HB1 SER 25 9.993 4.718 1.737
184 HG SER 25 HG SER 25 7.717 4.586 0.056
185 H MET 26 HN MET 26 9.434 0.989 1.243
186 HA MET 26 HA MET 26 11.562 0.683 3.069
187 HB2 MET 26 HB2 MET 26 9.777 -1.443 1.866
188 HB3 MET 26 HB1 MET 26 10.757 -1.621 3.316
189 HG2 MET 26 HG2 MET 26 9.431 -0.011 4.486
190 HG3 MET 26 HG1 MET 26 8.538 0.386 3.020
191 HE1 MET 26 HE1 MET 26 8.242 -3.700 5.150
192 HE2 MET 26 HE2 MET 26 9.238 -2.370 5.742
193 HE3 MET 26 HE3 MET 26 9.656 -3.181 4.233
194 H ILE 27 HN ILE 27 10.987 -0.623 -0.170
195 HA ILE 27 HA ILE 27 13.282 -2.243 -0.310
196 HB ILE 27 HB ILE 27 11.828 -0.893 -2.590
197 HG12 ILE 27 HG12 ILE 27 11.424 -3.642 -1.384
198 HG13 ILE 27 HG11 ILE 27 10.350 -2.267 -1.149
199 HG21 ILE 27 HG21 ILE 27 13.631 -3.312 -2.562
200 HG22 ILE 27 HG22 ILE 27 14.028 -1.728 -3.227
201 HG23 ILE 27 HG23 ILE 27 12.752 -2.697 -3.962
202 HD11 ILE 27 HD11 ILE 27 9.454 -3.781 -2.806
203 HD12 ILE 27 HD12 ILE 27 10.931 -3.643 -3.761
204 HD13 ILE 27 HD13 ILE 27 9.881 -2.240 -3.552
205 H VAL 28 HN VAL 28 12.696 1.098 -1.387
206 HA VAL 28 HA VAL 28 15.238 1.544 -2.500
207 HB VAL 28 HB VAL 28 13.426 3.589 -1.205
208 HG11 VAL 28 HG11 VAL 28 15.698 4.410 -1.563
209 HG12 VAL 28 HG12 VAL 28 14.563 5.193 -2.664
210 HG13 VAL 28 HG13 VAL 28 15.621 3.909 -3.253
211 HG21 VAL 28 HG21 VAL 28 12.263 2.305 -2.929
212 HG22 VAL 28 HG22 VAL 28 13.559 2.657 -4.072
213 HG23 VAL 28 HG23 VAL 28 12.548 3.964 -3.455
214 H ASN 29 HN ASN 29 14.012 1.977 0.786
215 HA ASN 29 HA ASN 29 16.277 3.249 1.865
216 HB2 ASN 29 HB2 ASN 29 14.140 1.532 3.135
217 HB3 ASN 29 HB1 ASN 29 15.393 2.345 4.066
218 HD21 ASN 29 HD21 ASN 29 15.426 4.661 2.282
219 HD22 ASN 29 HD22 ASN 29 13.999 5.562 2.648
220 H TRP 30 HN TRP 30 15.477 -0.117 1.335
221 HA TRP 30 HA TRP 30 17.613 -1.220 2.846
222 HB2 TRP 30 HB2 TRP 30 15.874 -2.720 2.460
223 HB3 TRP 30 HB1 TRP 30 15.713 -2.257 0.771
224 HD1 TRP 30 HD1 TRP 30 18.534 -3.929 2.882
225 HE1 TRP 30 HE1 TRP 30 19.472 -5.891 1.503
226 HE3 TRP 30 HE3 TRP 30 15.614 -3.458 -1.287
227 HZ2 TRP 30 HZ2 TRP 30 19.029 -7.081 -1.022
228 HZ3 TRP 30 HZ3 TRP 30 15.932 -5.046 -3.139
229 HH2 TRP 30 HH2 TRP 30 17.605 -6.820 -3.008
230 H LEU 31 HN LEU 31 17.178 -0.653 -0.643
231 HA LEU 31 HA LEU 31 19.702 -1.607 -1.427
232 HB2 LEU 31 HB2 LEU 31 17.610 0.102 -2.662
233 HB3 LEU 31 HB1 LEU 31 19.202 0.099 -3.397
234 HG LEU 31 HG LEU 31 17.631 -2.419 -2.876
235 HD11 LEU 31 HD11 LEU 31 17.046 -2.376 -5.246
236 HD12 LEU 31 HD12 LEU 31 17.803 -0.791 -5.406
237 HD13 LEU 31 HD13 LEU 31 16.373 -0.987 -4.393
238 HD21 LEU 31 HD21 LEU 31 20.013 -1.817 -4.625
239 HD22 LEU 31 HD22 LEU 31 19.175 -3.366 -4.532
240 HD23 LEU 31 HD23 LEU 31 20.028 -2.738 -3.121
241 H ASN 32 HN ASN 32 18.683 1.464 -0.133
242 HA ASN 32 HA ASN 32 20.928 2.985 -0.949
243 HB2 ASN 32 HB2 ASN 32 18.943 3.337 1.296
244 HB3 ASN 32 HB1 ASN 32 20.234 4.493 0.982
245 HD21 ASN 32 HD21 ASN 32 17.363 4.870 0.867
246 HD22 ASN 32 HD22 ASN 32 17.005 5.391 -0.741
247 H LYS 33 HN LYS 33 20.441 0.660 1.548
248 HA LYS 33 HA LYS 33 22.671 1.499 3.164
249 HB2 LYS 33 HB2 LYS 33 20.956 0.410 4.354
250 HB3 LYS 33 HB1 LYS 33 20.861 -0.899 3.182
251 HG2 LYS 33 HG2 LYS 33 23.071 -1.682 3.887
252 HG3 LYS 33 HG1 LYS 33 23.141 -0.382 5.079
253 HD2 LYS 33 HD2 LYS 33 21.335 -1.289 6.304
254 HD3 LYS 33 HD1 LYS 33 20.935 -2.418 5.008
255 HE2 LYS 33 HE2 LYS 33 23.567 -2.473 6.462
256 HE3 LYS 33 HE1 LYS 33 22.161 -3.386 7.009
257 HZ1 LYS 33 HZ1 LYS 33 22.131 -4.546 4.897
258 HZ2 LYS 33 HZ2 LYS 33 23.640 -4.728 5.639
259 HZ3 LYS 33 HZ3 LYS 33 23.458 -3.650 4.349
260 H ARG 34 HN ARG 34 22.003 -1.164 0.918
261 HA ARG 34 HA ARG 34 24.734 -2.098 1.074
262 HB2 ARG 34 HB2 ARG 34 23.938 -3.741 -0.677
263 HB3 ARG 34 HB1 ARG 34 23.110 -3.811 0.872
264 HG2 ARG 34 HG2 ARG 34 21.222 -2.612 -0.034
265 HG3 ARG 34 HG1 ARG 34 22.061 -2.397 -1.572
266 HD2 ARG 34 HD2 ARG 34 20.402 -4.238 -1.602
267 HD3 ARG 34 HD1 ARG 34 22.043 -4.765 -1.975
268 HE ARG 34 HE ARG 34 21.119 -5.033 0.781
269 HH11 ARG 34 HH11 ARG 34 21.851 -6.532 -2.277
270 HH12 ARG 34 HH12 ARG 34 21.956 -8.129 -1.615
271 HH21 ARG 34 HH21 ARG 34 21.255 -7.130 1.662
272 HH22 ARG 34 HH22 ARG 34 21.616 -8.469 0.625
273 H LYS 35 HN LYS 35 25.235 0.281 0.306
274 HA LYS 35 HA LYS 35 24.921 1.063 -2.341
275 HB2 LYS 35 HB2 LYS 35 27.247 1.614 -0.489
276 HB3 LYS 35 HB1 LYS 35 26.931 2.472 -1.990
277 HG2 LYS 35 HG2 LYS 35 25.913 3.935 -0.627
278 HG3 LYS 35 HG1 LYS 35 24.564 2.804 -0.755
279 HD2 LYS 35 HD2 LYS 35 24.837 3.258 1.554
280 HD3 LYS 35 HD1 LYS 35 25.502 1.647 1.283
281 HE2 LYS 35 HE2 LYS 35 27.755 2.570 1.229
282 HE3 LYS 35 HE1 LYS 35 27.107 4.196 1.446
283 HZ1 LYS 35 HZ1 LYS 35 27.920 3.289 3.527
284 HZ2 LYS 35 HZ2 LYS 35 26.875 1.966 3.395
285 HZ3 LYS 35 HZ3 LYS 35 26.246 3.522 3.603
Start of MODEL 20
1 H1 MET 1 HT1 MET 1 -27.443 1.135 4.539
2 H2 MET 1 HT2 MET 1 -27.267 -0.337 3.724
3 H3 MET 1 HT3 MET 1 -28.116 0.934 2.999
4 HA MET 1 HA MET 1 -26.115 2.260 2.888
5 HB2 MET 1 HB2 MET 1 -25.075 1.154 4.896
6 HB3 MET 1 HB1 MET 1 -24.703 -0.224 3.870
7 HG2 MET 1 HG2 MET 1 -22.775 1.229 4.145
8 HG3 MET 1 HG1 MET 1 -23.302 1.169 2.465
9 HE1 MET 1 HE1 MET 1 -24.936 3.183 5.443
10 HE2 MET 1 HE2 MET 1 -24.104 4.730 5.293
11 HE3 MET 1 HE3 MET 1 -23.205 3.287 5.762
12 H THR 2 HN THR 2 -24.635 2.083 1.092
13 HA THR 2 HA THR 2 -25.559 0.081 -0.839
14 HB THR 2 HB THR 2 -23.822 2.087 -1.967
15 HG1 THR 2 HG1 THR 2 -24.870 3.160 -0.007
16 HG21 THR 2 HG21 THR 2 -26.759 1.492 -2.306
17 HG22 THR 2 HG22 THR 2 -25.438 0.769 -3.226
18 HG23 THR 2 HG23 THR 2 -25.785 2.492 -3.383
19 H PHE 3 HN PHE 3 -24.209 -1.318 -1.854
20 HA PHE 3 HA PHE 3 -21.780 -2.021 -0.624
21 HB2 PHE 3 HB2 PHE 3 -23.381 -3.407 -2.171
22 HB3 PHE 3 HB1 PHE 3 -22.367 -2.777 -3.466
23 HD1 PHE 3 HD1 PHE 3 -22.031 -4.390 -0.132
24 HD2 PHE 3 HD2 PHE 3 -20.538 -4.021 -4.098
25 HE1 PHE 3 HE1 PHE 3 -20.371 -6.143 0.336
26 HE2 PHE 3 HE2 PHE 3 -18.874 -5.777 -3.639
27 HZ PHE 3 HZ PHE 3 -18.789 -6.841 -1.419
28 H ALA 4 HN ALA 4 -22.558 0.014 -3.365
29 HA ALA 4 HA ALA 4 -19.922 0.308 -4.361
30 HB1 ALA 4 HB1 ALA 4 -21.898 0.848 -5.702
31 HB2 ALA 4 HB2 ALA 4 -20.805 2.228 -5.588
32 HB3 ALA 4 HB3 ALA 4 -22.274 2.184 -4.613
33 H GLU 5 HN GLU 5 -21.824 2.008 -1.937
34 HA GLU 5 HA GLU 5 -20.015 4.156 -1.550
35 HB2 GLU 5 HB2 GLU 5 -22.148 2.986 0.240
36 HB3 GLU 5 HB1 GLU 5 -21.234 4.431 0.640
37 HG2 GLU 5 HG2 GLU 5 -22.069 5.327 -1.618
38 HG3 GLU 5 HG1 GLU 5 -23.250 4.024 -1.527
39 H LEU 6 HN LEU 6 -20.442 1.014 0.009
40 HA LEU 6 HA LEU 6 -18.296 1.447 1.879
41 HB2 LEU 6 HB2 LEU 6 -20.346 -0.043 2.221
42 HB3 LEU 6 HB1 LEU 6 -19.556 -1.191 1.156
43 HG LEU 6 HG LEU 6 -17.934 -0.260 3.442
44 HD11 LEU 6 HD11 LEU 6 -20.164 -0.471 4.460
45 HD12 LEU 6 HD12 LEU 6 -19.044 -1.705 5.036
46 HD13 LEU 6 HD13 LEU 6 -20.274 -2.119 3.842
47 HD21 LEU 6 HD21 LEU 6 -17.140 -1.954 1.865
48 HD22 LEU 6 HD22 LEU 6 -18.524 -2.972 2.259
49 HD23 LEU 6 HD23 LEU 6 -17.310 -2.621 3.489
50 H GLY 7 HN GLY 7 -18.536 0.574 -1.368
51 HA2 GLY 7 HA2 GLY 7 -16.398 -1.275 -1.584
52 HA3 GLY 7 HA1 GLY 7 -17.060 -0.308 -2.892
53 H MET 8 HN MET 8 -16.515 2.244 -2.120
54 HA MET 8 HA MET 8 -13.768 2.469 -2.772
55 HB2 MET 8 HB2 MET 8 -15.675 4.571 -1.726
56 HB3 MET 8 HB1 MET 8 -14.106 4.892 -2.450
57 HG2 MET 8 HG2 MET 8 -16.435 3.585 -3.838
58 HG3 MET 8 HG1 MET 8 -15.950 5.271 -4.011
59 HE1 MET 8 HE1 MET 8 -16.318 3.176 -6.480
60 HE2 MET 8 HE2 MET 8 -14.947 3.686 -7.465
61 HE3 MET 8 HE3 MET 8 -15.941 4.891 -6.645
62 H ALA 9 HN ALA 9 -15.553 3.029 0.252
63 HA ALA 9 HA ALA 9 -13.377 3.921 1.781
64 HB1 ALA 9 HB1 ALA 9 -15.707 4.179 2.480
65 HB2 ALA 9 HB2 ALA 9 -14.741 3.389 3.726
66 HB3 ALA 9 HB3 ALA 9 -15.828 2.435 2.718
67 H PHE 10 HN PHE 10 -14.702 0.658 1.339
68 HA PHE 10 HA PHE 10 -12.864 -0.616 3.086
69 HB2 PHE 10 HB2 PHE 10 -14.872 -1.775 2.699
70 HB3 PHE 10 HB1 PHE 10 -14.745 -1.594 0.954
71 HD1 PHE 10 HD1 PHE 10 -12.442 -2.946 3.574
72 HD2 PHE 10 HD2 PHE 10 -14.559 -3.622 -0.055
73 HE1 PHE 10 HE1 PHE 10 -11.436 -5.184 3.409
74 HE2 PHE 10 HE2 PHE 10 -13.554 -5.861 -0.229
75 HZ PHE 10 HZ PHE 10 -11.991 -6.646 1.506
76 H TRP 11 HN TRP 11 -12.939 -0.210 -0.449
77 HA TRP 11 HA TRP 11 -10.644 -1.750 -0.976
78 HB2 TRP 11 HB2 TRP 11 -12.247 0.241 -2.478
79 HB3 TRP 11 HB1 TRP 11 -10.606 -0.045 -3.047
80 HD1 TRP 11 HD1 TRP 11 -14.009 -1.330 -3.463
81 HE1 TRP 11 HE1 TRP 11 -13.993 -3.638 -4.602
82 HE3 TRP 11 HE3 TRP 11 -9.044 -2.452 -2.957
83 HZ2 TRP 11 HZ2 TRP 11 -12.124 -5.665 -5.208
84 HZ3 TRP 11 HZ3 TRP 11 -8.224 -4.596 -3.846
85 HH2 TRP 11 HH2 TRP 11 -9.734 -6.168 -4.946
86 H HIS 12 HN HIS 12 -11.069 1.697 -0.352
87 HA HIS 12 HA HIS 12 -8.358 2.405 -0.769
88 HB2 HIS 12 HB2 HIS 12 -10.638 3.753 0.668
89 HB3 HIS 12 HB1 HIS 12 -9.030 4.466 0.593
90 HD1 HIS 12 HD1 HIS 12 -10.634 2.700 -2.342
91 HD2 HIS 12 HD2 HIS 12 -9.690 6.538 -1.064
92 HE1 HIS 12 HE1 HIS 12 -11.035 4.226 -4.319
93 H ASP 13 HN ASP 13 -10.212 1.472 2.086
94 HA ASP 13 HA ASP 13 -8.193 2.013 3.983
95 HB2 ASP 13 HB2 ASP 13 -10.546 1.735 4.612
96 HB3 ASP 13 HB1 ASP 13 -10.484 0.043 4.131
97 H LEU 14 HN LEU 14 -9.067 -0.935 2.208
98 HA LEU 14 HA LEU 14 -7.063 -2.527 3.475
99 HB2 LEU 14 HB2 LEU 14 -7.739 -4.283 2.105
100 HB3 LEU 14 HB1 LEU 14 -9.199 -3.361 2.379
101 HG LEU 14 HG LEU 14 -8.502 -2.241 0.079
102 HD11 LEU 14 HD11 LEU 14 -6.396 -3.564 -0.019
103 HD12 LEU 14 HD12 LEU 14 -7.444 -3.778 -1.422
104 HD13 LEU 14 HD13 LEU 14 -7.374 -5.022 -0.174
105 HD21 LEU 14 HD21 LEU 14 -10.609 -3.355 0.494
106 HD22 LEU 14 HD22 LEU 14 -9.828 -4.933 0.386
107 HD23 LEU 14 HD23 LEU 14 -9.939 -3.905 -1.042
108 H ALA 15 HN ALA 15 -7.200 -0.497 0.664
109 HA ALA 15 HA ALA 15 -4.850 -1.474 -0.600
110 HB1 ALA 15 HB1 ALA 15 -6.599 -0.220 -1.790
111 HB2 ALA 15 HB2 ALA 15 -4.997 0.485 -2.005
112 HB3 ALA 15 HB3 ALA 15 -6.147 1.230 -0.894
113 H ALA 16 HN ALA 16 -5.463 1.004 1.817
114 HA ALA 16 HA ALA 16 -3.151 2.477 1.720
115 HB1 ALA 16 HB1 ALA 16 -3.522 3.069 4.009
116 HB2 ALA 16 HB2 ALA 16 -4.501 1.628 4.276
117 HB3 ALA 16 HB3 ALA 16 -5.088 2.907 3.213
118 HA PRO 17 HA PRO 17 -0.781 -0.659 4.513
119 HB2 PRO 17 HB2 PRO 17 -1.838 -3.126 4.909
120 HB3 PRO 17 HB1 PRO 17 -2.224 -1.748 5.958
121 HG2 PRO 17 HG2 PRO 17 -3.810 -2.907 3.719
122 HG3 PRO 17 HG1 PRO 17 -4.349 -2.349 5.316
123 HD2 PRO 17 HD2 PRO 17 -4.617 -0.849 3.079
124 HD3 PRO 17 HD1 PRO 17 -4.379 -0.147 4.689
125 H VAL 18 HN VAL 18 -2.609 -1.872 1.778
126 HA VAL 18 HA VAL 18 -0.792 -3.911 0.999
127 HB VAL 18 HB VAL 18 -2.909 -2.408 -0.542
128 HG11 VAL 18 HG11 VAL 18 -1.239 -4.749 -1.450
129 HG12 VAL 18 HG12 VAL 18 -1.244 -3.124 -2.137
130 HG13 VAL 18 HG13 VAL 18 -2.675 -4.144 -2.278
131 HG21 VAL 18 HG21 VAL 18 -2.876 -5.276 0.374
132 HG22 VAL 18 HG22 VAL 18 -4.240 -4.362 -0.273
133 HG23 VAL 18 HG23 VAL 18 -3.582 -3.962 1.314
134 H ILE 19 HN ILE 19 -1.269 -0.569 -0.072
135 HA ILE 19 HA ILE 19 0.837 -0.585 -1.977
136 HB ILE 19 HB ILE 19 -0.490 1.760 -0.611
137 HG12 ILE 19 HG12 ILE 19 -1.092 0.757 -3.379
138 HG13 ILE 19 HG11 ILE 19 -1.891 0.050 -1.978
139 HG21 ILE 19 HG21 ILE 19 0.279 3.039 -2.575
140 HG22 ILE 19 HG22 ILE 19 1.172 1.620 -3.124
141 HG23 ILE 19 HG23 ILE 19 1.615 2.410 -1.610
142 HD11 ILE 19 HD11 ILE 19 -3.211 1.812 -3.079
143 HD12 ILE 19 HD12 ILE 19 -1.945 2.974 -2.680
144 HD13 ILE 19 HD13 ILE 19 -2.845 2.173 -1.392
145 H ALA 20 HN ALA 20 0.557 0.703 1.325
146 HA ALA 20 HA ALA 20 3.130 1.794 1.515
147 HB1 ALA 20 HB1 ALA 20 1.431 0.656 3.734
148 HB2 ALA 20 HB2 ALA 20 1.312 2.293 3.088
149 HB3 ALA 20 HB3 ALA 20 2.779 1.778 3.921
150 H GLY 21 HN GLY 21 1.944 -1.474 2.065
151 HA2 GLY 21 HA2 GLY 21 4.263 -2.499 3.318
152 HA3 GLY 21 HA1 GLY 21 3.037 -3.448 2.492
153 H ILE 22 HN ILE 22 3.240 -2.487 -0.084
154 HA ILE 22 HA ILE 22 5.498 -3.909 -1.040
155 HB ILE 22 HB ILE 22 3.682 -2.011 -2.538
156 HG12 ILE 22 HG12 ILE 22 3.563 -5.028 -2.397
157 HG13 ILE 22 HG11 ILE 22 2.580 -3.971 -1.390
158 HG21 ILE 22 HG21 ILE 22 5.766 -2.393 -3.727
159 HG22 ILE 22 HG22 ILE 22 4.436 -3.215 -4.542
160 HG23 ILE 22 HG23 ILE 22 5.567 -4.137 -3.552
161 HD11 ILE 22 HD11 ILE 22 1.539 -3.034 -3.382
162 HD12 ILE 22 HD12 ILE 22 1.335 -4.784 -3.310
163 HD13 ILE 22 HD13 ILE 22 2.533 -4.080 -4.396
164 H LEU 23 HN LEU 23 4.768 -0.484 -0.649
165 HA LEU 23 HA LEU 23 7.040 0.510 -1.999
166 HB2 LEU 23 HB2 LEU 23 5.161 1.949 -1.606
167 HB3 LEU 23 HB1 LEU 23 5.277 1.715 0.128
168 HG LEU 23 HG LEU 23 7.411 2.934 0.153
169 HD11 LEU 23 HD11 LEU 23 8.193 2.400 -2.086
170 HD12 LEU 23 HD12 LEU 23 8.148 4.146 -1.844
171 HD13 LEU 23 HD13 LEU 23 6.885 3.354 -2.786
172 HD21 LEU 23 HD21 LEU 23 5.189 4.442 -1.217
173 HD22 LEU 23 HD22 LEU 23 6.511 5.151 -0.291
174 HD23 LEU 23 HD23 LEU 23 5.314 4.139 0.515
175 H ALA 24 HN ALA 24 6.444 -0.403 1.350
176 HA ALA 24 HA ALA 24 8.778 0.624 2.496
177 HB1 ALA 24 HB1 ALA 24 7.231 -1.838 3.296
178 HB2 ALA 24 HB2 ALA 24 6.894 -0.188 3.817
179 HB3 ALA 24 HB3 ALA 24 8.396 -0.977 4.302
180 H SER 25 HN SER 25 8.150 -2.504 0.955
181 HA SER 25 HA SER 25 10.673 -3.641 1.522
182 HB2 SER 25 HB2 SER 25 8.728 -4.266 -0.712
183 HB3 SER 25 HB1 SER 25 10.102 -5.272 -0.252
184 HG SER 25 HG SER 25 7.885 -4.595 1.389
185 H MET 26 HN MET 26 9.486 -1.684 -1.161
186 HA MET 26 HA MET 26 11.758 -2.020 -2.817
187 HB2 MET 26 HB2 MET 26 9.691 0.181 -2.716
188 HB3 MET 26 HB1 MET 26 10.921 0.044 -3.965
189 HG2 MET 26 HG2 MET 26 9.998 -2.247 -4.457
190 HG3 MET 26 HG1 MET 26 8.652 -1.837 -3.397
191 HE1 MET 26 HE1 MET 26 8.188 1.237 -3.976
192 HE2 MET 26 HE2 MET 26 6.886 0.050 -3.893
193 HE3 MET 26 HE3 MET 26 6.986 1.155 -5.264
194 H ILE 27 HN ILE 27 10.891 0.383 -0.372
195 HA ILE 27 HA ILE 27 13.093 2.098 -0.778
196 HB ILE 27 HB ILE 27 11.469 1.627 1.727
197 HG12 ILE 27 HG12 ILE 27 11.260 3.842 -0.323
198 HG13 ILE 27 HG11 ILE 27 10.227 2.417 -0.309
199 HG21 ILE 27 HG21 ILE 27 12.298 3.829 2.444
200 HG22 ILE 27 HG22 ILE 27 13.361 3.871 1.037
201 HG23 ILE 27 HG23 ILE 27 13.596 2.646 2.284
202 HD11 ILE 27 HD11 ILE 27 10.423 4.470 1.882
203 HD12 ILE 27 HD12 ILE 27 9.377 3.050 1.884
204 HD13 ILE 27 HD13 ILE 27 9.123 4.331 0.700
205 H VAL 28 HN VAL 28 12.600 -0.676 1.371
206 HA VAL 28 HA VAL 28 15.088 -0.466 2.709
207 HB VAL 28 HB VAL 28 13.294 -2.869 2.333
208 HG11 VAL 28 HG11 VAL 28 15.605 -2.450 4.225
209 HG12 VAL 28 HG12 VAL 28 15.543 -3.590 2.882
210 HG13 VAL 28 HG13 VAL 28 14.483 -3.809 4.274
211 HG21 VAL 28 HG21 VAL 28 12.257 -0.964 3.501
212 HG22 VAL 28 HG22 VAL 28 13.575 -0.983 4.670
213 HG23 VAL 28 HG23 VAL 28 12.478 -2.358 4.557
214 H ASN 29 HN ASN 29 14.035 -2.260 -0.157
215 HA ASN 29 HA ASN 29 16.333 -3.803 -0.546
216 HB2 ASN 29 HB2 ASN 29 14.322 -2.688 -2.503
217 HB3 ASN 29 HB1 ASN 29 15.628 -3.761 -2.994
218 HD21 ASN 29 HD21 ASN 29 15.507 -5.265 -0.481
219 HD22 ASN 29 HD22 ASN 29 14.105 -6.266 -0.600
220 H TRP 30 HN TRP 30 15.515 -0.571 -1.746
221 HA TRP 30 HA TRP 30 17.869 -0.151 -3.229
222 HB2 TRP 30 HB2 TRP 30 16.215 1.351 -3.795
223 HB3 TRP 30 HB1 TRP 30 15.698 1.574 -2.129
224 HD1 TRP 30 HD1 TRP 30 18.836 2.501 -4.244
225 HE1 TRP 30 HE1 TRP 30 19.583 4.859 -3.531
226 HE3 TRP 30 HE3 TRP 30 15.372 3.376 -0.587
227 HZ2 TRP 30 HZ2 TRP 30 18.804 6.830 -1.661
228 HZ3 TRP 30 HZ3 TRP 30 15.440 5.521 0.617
229 HH2 TRP 30 HH2 TRP 30 17.122 7.211 0.090
230 H LEU 31 HN LEU 31 17.008 0.672 0.111
231 HA LEU 31 HA LEU 31 19.381 2.038 0.746
232 HB2 LEU 31 HB2 LEU 31 17.313 0.628 2.396
233 HB3 LEU 31 HB1 LEU 31 18.732 1.346 3.139
234 HG LEU 31 HG LEU 31 16.836 2.905 1.396
235 HD11 LEU 31 HD11 LEU 31 15.849 3.762 3.450
236 HD12 LEU 31 HD12 LEU 31 16.860 2.673 4.400
237 HD13 LEU 31 HD13 LEU 31 15.626 2.017 3.325
238 HD21 LEU 31 HD21 LEU 31 17.870 4.829 2.492
239 HD22 LEU 31 HD22 LEU 31 19.066 3.852 1.641
240 HD23 LEU 31 HD23 LEU 31 18.929 3.746 3.396
241 H ASN 32 HN ASN 32 18.570 -1.359 0.690
242 HA ASN 32 HA ASN 32 20.829 -2.260 2.168
243 HB2 ASN 32 HB2 ASN 32 18.865 -3.601 0.326
244 HB3 ASN 32 HB1 ASN 32 20.260 -4.474 0.950
245 HD21 ASN 32 HD21 ASN 32 18.643 -1.996 2.788
246 HD22 ASN 32 HD22 ASN 32 17.937 -3.051 3.959
247 H LYS 33 HN LYS 33 20.432 -1.025 -0.950
248 HA LYS 33 HA LYS 33 22.750 -2.384 -2.069
249 HB2 LYS 33 HB2 LYS 33 20.691 -1.922 -3.428
250 HB3 LYS 33 HB1 LYS 33 21.045 -0.206 -3.294
251 HG2 LYS 33 HG2 LYS 33 23.151 -2.006 -4.371
252 HG3 LYS 33 HG1 LYS 33 21.774 -1.602 -5.397
253 HD2 LYS 33 HD2 LYS 33 22.237 0.802 -4.975
254 HD3 LYS 33 HD1 LYS 33 23.683 0.330 -4.083
255 HE2 LYS 33 HE2 LYS 33 24.581 -0.736 -6.084
256 HE3 LYS 33 HE1 LYS 33 23.124 -0.303 -6.978
257 HZ1 LYS 33 HZ1 LYS 33 25.064 1.608 -5.788
258 HZ2 LYS 33 HZ2 LYS 33 23.658 2.034 -6.627
259 HZ3 LYS 33 HZ3 LYS 33 24.914 1.242 -7.434
260 H ARG 34 HN ARG 34 21.767 0.795 -0.919
261 HA ARG 34 HA ARG 34 24.406 1.898 -1.491
262 HB2 ARG 34 HB2 ARG 34 23.469 4.041 -0.861
263 HB3 ARG 34 HB1 ARG 34 22.392 3.243 -1.998
264 HG2 ARG 34 HG2 ARG 34 20.853 2.679 -0.267
265 HG3 ARG 34 HG1 ARG 34 21.987 3.197 0.983
266 HD2 ARG 34 HD2 ARG 34 20.624 4.942 -1.063
267 HD3 ARG 34 HD1 ARG 34 20.302 4.895 0.670
268 HE ARG 34 HE ARG 34 23.027 5.528 0.048
269 HH11 ARG 34 HH11 ARG 34 19.818 6.840 0.417
270 HH12 ARG 34 HH12 ARG 34 20.376 8.440 0.773
271 HH21 ARG 34 HH21 ARG 34 23.768 7.627 0.517
272 HH22 ARG 34 HH22 ARG 34 22.623 8.888 0.829
273 H LYS 35 HN LYS 35 22.971 0.179 0.939
274 HA LYS 35 HA LYS 35 23.451 -0.248 3.116
275 HB2 LYS 35 HB2 LYS 35 26.080 0.921 2.212
276 HB3 LYS 35 HB1 LYS 35 25.843 0.263 3.824
277 HG2 LYS 35 HG2 LYS 35 26.845 -1.442 2.542
278 HG3 LYS 35 HG1 LYS 35 25.149 -1.891 2.723
279 HD2 LYS 35 HD2 LYS 35 24.680 -1.019 0.485
280 HD3 LYS 35 HD1 LYS 35 26.374 -0.560 0.306
281 HE2 LYS 35 HE2 LYS 35 27.037 -2.897 0.495
282 HE3 LYS 35 HE1 LYS 35 25.354 -3.368 0.725
283 HZ1 LYS 35 HZ1 LYS 35 26.473 -2.088 -1.712
284 HZ2 LYS 35 HZ2 LYS 35 24.860 -2.547 -1.493
285 HZ3 LYS 35 HZ3 LYS 35 26.072 -3.725 -1.552