Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
540716 | 2ls3 RC | 18409 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 H1 LYS 1 H1 LYS 1 -6.216 20.829 7.768
2 HA LYS 1 HA LYS 1 -4.597 19.556 9.664
3 HB3 LYS 1 HB3 LYS 1 -7.361 18.770 9.889
4 HG3 LYS 1 HG3 LYS 1 -5.445 20.654 11.310
5 HD3 LYS 1 HD3 LYS 1 -7.366 20.601 13.112
6 HE3 LYS 1 HE3 LYS 1 -7.362 22.330 10.604
7 HZ1 LYS 1 HZ1 LYS 1 -9.403 22.088 12.443
8 HZ2 LYS 1 HZ2 LYS 1 -8.649 23.499 12.773
9 HZ3 LYS 1 HZ3 LYS 1 -9.240 23.220 11.276
10 H HIS 2 H HIS 2 -4.918 17.239 10.426
11 HA HIS 2 HA HIS 2 -4.437 15.133 9.956
12 HB3 HIS 2 HB3 HIS 2 -6.347 14.030 9.611
13 HD1 HIS 2 HD1 HIS 2 -6.929 16.031 11.588
14 HD2 HIS 2 HD2 HIS 2 -8.785 16.231 7.832
15 HE1 HIS 2 HE1 HIS 2 -9.006 17.481 11.894
16 HE2 HIS 2 HE2 HIS 2 -10.075 17.613 9.541
17 H LEU 3 H LEU 3 -2.421 15.188 8.934
18 HA LEU 3 HA LEU 3 -2.313 15.715 6.105
19 HB3 LEU 3 HB3 LEU 3 0.094 15.401 6.397
20 HG LEU 3 HG LEU 3 -0.440 16.975 8.843
21 HD11 LEU 3 HD11 LEU 3 1.735 17.038 7.817
22 HD12 LEU 3 HD12 LEU 3 1.031 17.499 6.248
23 HD13 LEU 3 HD13 LEU 3 0.959 18.627 7.622
24 HD21 LEU 3 HD21 LEU 3 -1.402 18.872 7.479
25 HD22 LEU 3 HD22 LEU 3 -1.743 17.676 6.206
26 HD23 LEU 3 HD23 LEU 3 -2.503 17.513 7.807
27 H LEU 4 H LEU 4 -2.854 13.013 8.206
28 HA LEU 4 HA LEU 4 -1.728 11.042 6.485
29 HB3 LEU 4 HB3 LEU 4 -2.990 9.481 7.961
30 HG LEU 4 HG LEU 4 -1.534 9.565 9.688
31 HD11 LEU 4 HD11 LEU 4 0.541 10.808 9.127
32 HD12 LEU 4 HD12 LEU 4 -0.128 9.887 7.758
33 HD13 LEU 4 HD13 LEU 4 -0.350 11.651 7.837
34 HD21 LEU 4 HD21 LEU 4 -1.843 12.577 9.836
35 HD22 LEU 4 HD22 LEU 4 -2.699 11.382 10.840
36 HD23 LEU 4 HD23 LEU 4 -0.932 11.554 10.974
37 H GLN 5 H GLN 5 -4.795 12.792 6.743
38 HA GLN 5 HA GLN 5 -6.602 11.236 5.647
39 HB3 GLN 5 HB3 GLN 5 -6.031 14.073 4.679
40 HG3 GLN 5 HG3 GLN 5 -8.824 13.343 5.093
41 HE21 GLN 5 HE22 GLN 5 -9.356 15.320 4.452
42 HE22 GLN 5 HE21 GLN 5 -9.000 16.025 2.910
43 H THR 6 H THR 6 -3.681 12.430 4.020
44 HA THR 6 HA THR 6 -4.608 11.315 1.475
45 HB THR 6 HB THR 6 -3.541 13.691 1.830
46 HG1 THR 6 HG1 THR 6 -2.503 11.610 0.035
47 HG21 THR 6 HG21 THR 6 -1.055 11.897 1.777
48 HG22 THR 6 HG22 THR 6 -1.062 13.669 1.606
49 HG23 THR 6 HG23 THR 6 -1.543 12.921 3.149
50 H VAL 7 H VAL 7 -1.822 11.104 3.781
51 HA VAL 7 HA VAL 7 -0.379 9.178 2.539
52 HB VAL 7 HB VAL 7 -0.960 9.306 5.503
53 HG11 VAL 7 HG11 VAL 7 1.645 8.723 5.368
54 HG12 VAL 7 HG12 VAL 7 0.385 7.464 5.342
55 HG13 VAL 7 HG13 VAL 7 1.136 8.005 3.821
56 HG21 VAL 7 HG21 VAL 7 -0.398 11.511 5.071
57 HG22 VAL 7 HG22 VAL 7 1.200 10.793 5.385
58 HG23 VAL 7 HG23 VAL 7 0.670 11.087 3.711
59 H LEU 8 H LEU 8 -3.404 8.795 4.445
60 HA LEU 8 HA LEU 8 -3.431 6.065 4.687
61 HB3 LEU 8 HB3 LEU 8 -5.820 6.266 4.918
62 HG LEU 8 HG LEU 8 -4.111 8.330 6.185
63 HD11 LEU 8 HD11 LEU 8 -6.506 9.273 5.310
64 HD12 LEU 8 HD12 LEU 8 -6.951 8.644 6.914
65 HD13 LEU 8 HD13 LEU 8 -5.656 9.855 6.761
66 HD21 LEU 8 HD21 LEU 8 -4.622 7.231 8.139
67 HD22 LEU 8 HD22 LEU 8 -6.222 6.708 7.561
68 HD23 LEU 8 HD23 LEU 8 -4.751 5.908 6.957
69 H HIS 9 H HIS 9 -4.575 8.102 1.918
70 HA HIS 9 HA HIS 9 -5.421 5.919 0.388
71 HB3 HIS 9 HB3 HIS 9 -4.453 8.399 -0.953
72 HD1 HIS 9 HD1 HIS 9 -7.749 6.542 -0.239
73 HD2 HIS 9 HD2 HIS 9 -5.492 8.043 -3.440
74 HE1 HIS 9 HE1 HIS 9 -9.086 6.041 -2.353
75 HE2 HIS 9 HE2 HIS 9 -7.675 7.035 -4.281
76 H ILE 10 H ILE 10 -2.274 7.573 0.806
77 HA ILE 10 HA ILE 10 -1.003 6.408 -1.399
78 HB ILE 10 HB ILE 10 0.015 7.531 1.207
79 HG13 ILE 10 HG13 ILE 10 -1.179 9.040 -0.426
80 HG21 ILE 10 HG21 ILE 10 2.235 7.448 0.397
81 HG22 ILE 10 HG22 ILE 10 1.564 5.815 0.176
82 HG23 ILE 10 HG23 ILE 10 1.709 6.911 -1.218
83 HD11 ILE 10 HD11 ILE 10 0.997 10.592 -0.615
84 HD12 ILE 10 HD12 ILE 10 0.217 10.286 0.956
85 HD13 ILE 10 HD13 ILE 10 1.671 9.370 0.490
86 H ILE 11 H ILE 11 -0.881 5.497 2.121
87 HA ILE 11 HA ILE 11 0.549 3.161 1.737
88 HB ILE 11 HB ILE 11 -1.208 4.286 3.854
89 HG13 ILE 11 HG13 ILE 11 1.632 3.221 3.868
90 HG21 ILE 11 HG21 ILE 11 -0.252 1.410 3.862
91 HG22 ILE 11 HG22 ILE 11 -0.951 2.279 5.249
92 HG23 ILE 11 HG23 ILE 11 -1.942 1.966 3.803
93 HD11 ILE 11 HD11 ILE 11 1.312 5.261 2.439
94 HD12 ILE 11 HD12 ILE 11 0.575 6.085 3.834
95 HD13 ILE 11 HD13 ILE 11 2.283 5.589 3.895
96 H GLN 12 H GLN 12 -2.704 3.975 0.847
97 HA GLN 12 HA GLN 12 -3.795 1.406 1.050
98 HB3 GLN 12 HB3 GLN 12 -4.973 3.019 -1.086
99 HG3 GLN 12 HG3 GLN 12 -5.951 2.433 1.746
100 HE21 GLN 12 HE22 GLN 12 -8.356 1.375 0.673
101 HE22 GLN 12 HE21 GLN 12 -9.310 2.676 0.045
102 H VAL 13 H VAL 13 -2.489 3.294 -1.772
103 HA VAL 13 HA VAL 13 -2.786 1.259 -3.639
104 HB VAL 13 HB VAL 13 -0.826 3.554 -3.459
105 HG11 VAL 13 HG11 VAL 13 -1.571 1.891 -5.889
106 HG12 VAL 13 HG12 VAL 13 -0.478 3.296 -5.856
107 HG13 VAL 13 HG13 VAL 13 -0.028 1.797 -5.008
108 HG21 VAL 13 HG21 VAL 13 -2.369 4.784 -4.810
109 HG22 VAL 13 HG22 VAL 13 -3.385 3.346 -5.072
110 HG23 VAL 13 HG23 VAL 13 -3.292 4.090 -3.457
111 H VAL 14 H VAL 14 0.333 2.332 -2.102
112 HA VAL 14 HA VAL 14 1.961 0.385 -2.876
113 HB VAL 14 HB VAL 14 2.544 0.600 -0.166
114 HG11 VAL 14 HG11 VAL 14 4.403 1.677 -0.921
115 HG12 VAL 14 HG12 VAL 14 3.797 1.102 -2.492
116 HG13 VAL 14 HG13 VAL 14 3.479 2.774 -1.975
117 HG21 VAL 14 HG21 VAL 14 0.513 2.192 -0.141
118 HG22 VAL 14 HG22 VAL 14 2.035 2.766 0.580
119 HG23 VAL 14 HG23 VAL 14 1.557 3.316 -1.044
120 H ILE 15 H ILE 15 0.059 0.073 0.212
121 HA ILE 15 HA ILE 15 0.603 -2.590 0.612
122 HB ILE 15 HB ILE 15 -1.738 -0.862 1.385
123 HG13 ILE 15 HG13 ILE 15 0.203 -0.088 2.450
124 HG21 ILE 15 HG21 ILE 15 -2.341 -2.604 3.021
125 HG22 ILE 15 HG22 ILE 15 -2.549 -3.148 1.339
126 HG23 ILE 15 HG23 ILE 15 -1.143 -3.694 2.285
127 HD11 ILE 15 HD11 ILE 15 -0.906 -2.200 4.353
128 HD12 ILE 15 HD12 ILE 15 -0.088 -0.682 4.798
129 HD13 ILE 15 HD13 ILE 15 -1.693 -0.636 4.031
130 H SER 16 H SER 16 -1.988 -1.035 -1.352
131 HA SER 16 HA SER 16 -3.310 -3.407 -1.930
132 HB3 SER 16 HB3 SER 16 -4.037 -1.953 -4.032
133 HG SER 16 HG SER 16 -5.237 -2.279 -1.942
134 H TYR 17 H TYR 17 -0.271 -2.093 -3.003
135 HA TYR 17 HA TYR 17 -0.281 -3.771 -5.401
136 HB3 TYR 17 HB3 TYR 17 1.474 -1.542 -4.207
137 HD1 TYR 17 HD1 TYR 17 3.393 -3.379 -4.429
138 HD2 TYR 17 HD2 TYR 17 1.384 -1.536 -7.726
139 HE1 TYR 17 HE1 TYR 17 5.347 -3.954 -5.952
140 HE2 TYR 17 HE2 TYR 17 3.345 -2.117 -9.237
141 HH TYR 17 HH TYR 17 6.108 -2.602 -8.492
142 H PHE 18 H PHE 18 0.910 -3.577 -2.108
143 HA PHE 18 HA PHE 18 3.111 -5.366 -2.620
144 HB3 PHE 18 HB3 PHE 18 3.030 -5.206 0.037
145 HD1 PHE 18 HD2 PHE 18 5.035 -4.660 -1.943
146 HD2 PHE 18 HD1 PHE 18 2.636 -1.913 0.226
147 HE1 PHE 18 HE2 PHE 18 6.795 -2.895 -2.232
148 HE2 PHE 18 HE1 PHE 18 4.396 -0.147 -0.063
149 HZ PHE 18 HZ PHE 18 6.454 -0.659 -1.289
150 H LEU 19 H LEU 19 -0.027 -5.427 -0.789
151 HA LEU 19 HA LEU 19 0.084 -7.954 0.190
152 HB3 LEU 19 HB3 LEU 19 -2.157 -6.222 -0.781
153 HG LEU 19 HG LEU 19 -3.713 -7.737 0.496
154 HD11 LEU 19 HD11 LEU 19 -3.181 -9.472 -1.730
155 HD12 LEU 19 HD12 LEU 19 -4.479 -8.274 -1.513
156 HD13 LEU 19 HD13 LEU 19 -2.920 -7.779 -2.214
157 HD21 LEU 19 HD21 LEU 19 -1.339 -9.579 0.292
158 HD22 LEU 19 HD22 LEU 19 -2.351 -9.191 1.705
159 HD23 LEU 19 HD23 LEU 19 -3.000 -10.210 0.397
160 H MET 20 H MET 20 -0.917 -6.924 -3.128
161 HA MET 20 HA MET 20 -1.748 -9.311 -4.076
162 HB3 MET 20 HB3 MET 20 -0.071 -7.135 -5.444
163 HG3 MET 20 HG3 MET 20 -1.905 -9.210 -6.738
164 HE1 MET 20 HE1 MET 20 -1.140 -9.672 -9.163
165 HE2 MET 20 HE2 MET 20 -1.034 -8.358 -10.358
166 HE3 MET 20 HE3 MET 20 0.433 -8.921 -9.523
167 H LEU 21 H LEU 21 1.485 -8.407 -3.098
168 HA LEU 21 HA LEU 21 2.623 -10.669 -4.555
169 HB3 LEU 21 HB3 LEU 21 3.521 -8.117 -4.226
170 HG LEU 21 HG LEU 21 4.147 -8.603 -1.828
171 HD11 LEU 21 HD11 LEU 21 5.274 -10.425 -1.255
172 HD12 LEU 21 HD12 LEU 21 5.167 -10.981 -2.943
173 HD13 LEU 21 HD13 LEU 21 6.577 -10.036 -2.405
174 HD21 LEU 21 HD21 LEU 21 5.644 -7.351 -3.920
175 HD22 LEU 21 HD22 LEU 21 5.543 -6.922 -2.195
176 HD23 LEU 21 HD23 LEU 21 6.776 -8.077 -2.755
177 H ILE 22 H ILE 22 1.986 -9.351 -1.279
178 HA ILE 22 HA ILE 22 3.377 -11.380 0.089
179 HB ILE 22 HB ILE 22 1.035 -9.846 1.177
180 HG13 ILE 22 HG13 ILE 22 2.103 -8.050 0.212
181 HG21 ILE 22 HG21 ILE 22 2.276 -9.940 3.254
182 HG22 ILE 22 HG22 ILE 22 2.087 -11.579 2.586
183 HG23 ILE 22 HG23 ILE 22 3.645 -10.732 2.436
184 HD11 ILE 22 HD11 ILE 22 2.118 -7.728 2.672
185 HD12 ILE 22 HD12 ILE 22 3.707 -8.525 2.767
186 HD13 ILE 22 HD13 ILE 22 3.541 -6.966 1.923
187 H PHE 23 H PHE 23 -0.171 -10.897 -0.546
188 HA PHE 23 HA PHE 23 -1.192 -13.089 0.571
189 HB3 PHE 23 HB3 PHE 23 -1.819 -12.385 -2.336
190 HD1 PHE 23 HD1 PHE 23 -2.587 -14.563 0.002
191 HD2 PHE 23 HD2 PHE 23 -4.478 -11.280 -1.909
192 HE1 PHE 23 HE1 PHE 23 -4.833 -15.571 0.491
193 HE2 PHE 23 HE2 PHE 23 -6.724 -12.289 -1.420
194 HZ PHE 23 HZ PHE 23 -6.875 -14.422 -0.225
195 H MET 24 H MET 24 0.521 -12.983 -2.613
196 HA MET 24 HA MET 24 0.019 -15.587 -3.330
197 HB3 MET 24 HB3 MET 24 2.665 -14.867 -4.207
198 HG3 MET 24 HG3 MET 24 0.995 -13.938 -6.196
199 HE1 MET 24 HE1 MET 24 -0.512 -16.777 -6.815
200 HE2 MET 24 HE2 MET 24 0.593 -18.155 -7.032
201 HE3 MET 24 HE3 MET 24 0.081 -17.673 -5.397
202 H THR 25 H THR 25 2.607 -14.174 -1.264
203 HA THR 25 HA THR 25 3.942 -16.708 -0.980
204 HB THR 25 HB THR 25 5.504 -15.401 0.328
205 HG1 THR 25 HG1 THR 25 3.403 -13.360 0.310
206 HG21 THR 25 HG21 THR 25 4.580 -14.377 -2.187
207 HG22 THR 25 HG22 THR 25 4.769 -12.977 -1.103
208 HG23 THR 25 HG23 THR 25 6.148 -14.062 -1.405
209 H TYR 26 H TYR 26 1.921 -14.578 1.140
210 HA TYR 26 HA TYR 26 1.910 -16.560 3.208
211 HB3 TYR 26 HB3 TYR 26 0.059 -14.817 3.982
212 HD1 TYR 26 HD1 TYR 26 3.542 -15.054 3.044
213 HD2 TYR 26 HD2 TYR 26 0.700 -12.677 5.184
214 HE1 TYR 26 HE1 TYR 26 5.433 -13.915 4.304
215 HE2 TYR 26 HE2 TYR 26 2.601 -11.547 6.437
216 HH TYR 26 HH TYR 26 5.830 -12.742 6.273
217 H ASN 27 H ASN 27 0.609 -16.777 0.244
218 HA ASN 27 HA ASN 27 -2.080 -17.078 0.567
219 HB3 ASN 27 HB3 ASN 27 -0.996 -17.162 -1.643
220 HD21 ASN 27 HD22 ASN 27 -0.652 -19.683 -2.949
221 HD22 ASN 27 HD21 ASN 27 0.941 -20.269 -2.602
222 H LYS 28 H LYS 28 0.632 -19.465 0.958
223 HA LYS 28 HA LYS 28 0.623 -21.585 1.680
224 HB3 LYS 28 HB3 LYS 28 0.431 -21.666 3.981
225 HG3 LYS 28 HG3 LYS 28 0.160 -18.696 3.994
226 HD3 LYS 28 HD3 LYS 28 2.726 -19.343 4.758
227 HE3 LYS 28 HE3 LYS 28 0.163 -19.474 6.416
228 HZ1 LYS 28 HZ1 LYS 28 2.974 -19.587 7.132
229 HZ2 LYS 28 HZ2 LYS 28 1.961 -18.758 8.107
230 HZ3 LYS 28 HZ3 LYS 28 1.700 -20.343 7.818
231 H LYS 29 H LYS 29 -0.710 -22.386 -0.118
232 HA LYS 29 HA LYS 29 -3.402 -22.502 -0.234
233 HB3 LYS 29 HB3 LYS 29 -2.263 -25.072 -0.957
234 HG3 LYS 29 HG3 LYS 29 -3.571 -22.689 -2.266
235 HD3 LYS 29 HD3 LYS 29 -1.638 -24.541 -3.565
236 HE3 LYS 29 HE3 LYS 29 -4.395 -24.013 -4.774
237 HZ1 LYS 29 HZ1 LYS 29 -3.208 -24.031 -6.632
238 HZ2 LYS 29 HZ2 LYS 29 -1.849 -24.591 -5.921
239 HZ3 LYS 29 HZ3 LYS 29 -3.016 -25.634 -6.387
Start of MODEL 2
1 H1 LYS 1 H1 LYS 1 -2.065 19.792 3.033
2 HA LYS 1 HA LYS 1 -4.442 20.555 4.524
3 HB3 LYS 1 HB3 LYS 1 -4.800 19.811 1.638
4 HG3 LYS 1 HG3 LYS 1 -6.414 20.742 3.902
5 HD3 LYS 1 HD3 LYS 1 -6.874 22.190 1.261
6 HE3 LYS 1 HE3 LYS 1 -8.101 23.683 3.138
7 HZ1 LYS 1 HZ1 LYS 1 -9.798 22.948 1.975
8 HZ2 LYS 1 HZ2 LYS 1 -8.887 21.750 1.339
9 HZ3 LYS 1 HZ3 LYS 1 -9.753 21.485 2.698
10 H HIS 2 H HIS 2 -2.878 18.199 2.257
11 HA HIS 2 HA HIS 2 -4.319 16.076 3.623
12 HB3 HIS 2 HB3 HIS 2 -4.257 14.968 1.687
13 HD1 HIS 2 HD1 HIS 2 -1.882 16.773 -0.392
14 HD2 HIS 2 HD2 HIS 2 -5.858 17.347 0.815
15 HE1 HIS 2 HE1 HIS 2 -2.887 18.456 -2.024
16 HE2 HIS 2 HE2 HIS 2 -5.346 18.729 -1.265
17 H LEU 3 H LEU 3 -3.282 15.884 5.628
18 HA LEU 3 HA LEU 3 -0.388 15.487 5.542
19 HB3 LEU 3 HB3 LEU 3 -0.360 15.987 7.839
20 HG LEU 3 HG LEU 3 -1.129 17.933 6.188
21 HD11 LEU 3 HD11 LEU 3 -3.269 18.564 8.039
22 HD12 LEU 3 HD12 LEU 3 -3.256 18.571 6.259
23 HD13 LEU 3 HD13 LEU 3 -3.608 17.065 7.141
24 HD21 LEU 3 HD21 LEU 3 -0.785 19.497 7.963
25 HD22 LEU 3 HD22 LEU 3 -1.240 18.293 9.192
26 HD23 LEU 3 HD23 LEU 3 0.263 18.089 8.262
27 H LEU 4 H LEU 4 -3.505 13.948 6.443
28 HA LEU 4 HA LEU 4 -2.016 11.423 6.664
29 HB3 LEU 4 HB3 LEU 4 -3.697 10.689 8.283
30 HG LEU 4 HG LEU 4 -2.968 11.794 10.202
31 HD11 LEU 4 HD11 LEU 4 -0.682 11.723 10.035
32 HD12 LEU 4 HD12 LEU 4 -1.147 10.869 8.544
33 HD13 LEU 4 HD13 LEU 4 -0.653 12.578 8.473
34 HD21 LEU 4 HD21 LEU 4 -3.485 14.154 8.732
35 HD22 LEU 4 HD22 LEU 4 -3.093 13.991 10.461
36 HD23 LEU 4 HD23 LEU 4 -1.791 14.240 9.273
37 H GLN 5 H GLN 5 -5.195 12.984 5.889
38 HA GLN 5 HA GLN 5 -6.558 10.991 4.850
39 HB3 GLN 5 HB3 GLN 5 -7.131 12.823 2.939
40 HG3 GLN 5 HG3 GLN 5 -8.500 12.062 4.996
41 HE21 GLN 5 HE22 GLN 5 -8.473 11.950 7.096
42 HE22 GLN 5 HE21 GLN 5 -7.806 13.098 8.209
43 H THR 6 H THR 6 -3.591 12.385 3.475
44 HA THR 6 HA THR 6 -3.891 10.997 0.966
45 HB THR 6 HB THR 6 -2.773 13.266 1.292
46 HG1 THR 6 HG1 THR 6 -1.466 12.602 -0.405
47 HG21 THR 6 HG21 THR 6 -0.482 11.554 2.380
48 HG22 THR 6 HG22 THR 6 -0.481 13.317 2.134
49 HG23 THR 6 HG23 THR 6 -1.490 12.597 3.411
50 H VAL 7 H VAL 7 -1.694 10.721 3.839
51 HA VAL 7 HA VAL 7 -0.260 8.560 3.020
52 HB VAL 7 HB VAL 7 -1.303 8.999 5.821
53 HG11 VAL 7 HG11 VAL 7 1.247 7.760 4.732
54 HG12 VAL 7 HG12 VAL 7 0.943 8.107 6.451
55 HG13 VAL 7 HG13 VAL 7 -0.076 6.930 5.588
56 HG21 VAL 7 HG21 VAL 7 0.704 10.546 4.205
57 HG22 VAL 7 HG22 VAL 7 -0.530 11.127 5.349
58 HG23 VAL 7 HG23 VAL 7 0.950 10.347 5.957
59 H LEU 8 H LEU 8 -3.629 8.707 4.195
60 HA LEU 8 HA LEU 8 -3.921 5.943 4.614
61 HB3 LEU 8 HB3 LEU 8 -5.431 8.268 4.952
62 HG LEU 8 HG LEU 8 -6.479 7.477 2.657
63 HD11 LEU 8 HD11 LEU 8 -7.852 5.681 2.630
64 HD12 LEU 8 HD12 LEU 8 -6.757 5.118 3.916
65 HD13 LEU 8 HD13 LEU 8 -8.317 5.864 4.338
66 HD21 LEU 8 HD21 LEU 8 -7.296 9.328 4.026
67 HD22 LEU 8 HD22 LEU 8 -8.643 8.361 3.380
68 HD23 LEU 8 HD23 LEU 8 -8.155 8.182 5.082
69 H HIS 9 H HIS 9 -4.322 8.087 1.758
70 HA HIS 9 HA HIS 9 -5.325 5.933 0.168
71 HB3 HIS 9 HB3 HIS 9 -4.285 8.562 -0.878
72 HD1 HIS 9 HD1 HIS 9 -7.837 7.866 -1.374
73 HD2 HIS 9 HD2 HIS 9 -4.255 6.826 -3.292
74 HE1 HIS 9 HE1 HIS 9 -8.484 7.050 -3.703
75 HE2 HIS 9 HE2 HIS 9 -6.238 6.477 -4.853
76 H ILE 10 H ILE 10 -2.197 7.535 0.821
77 HA ILE 10 HA ILE 10 -0.816 6.387 -1.341
78 HB ILE 10 HB ILE 10 0.110 7.480 1.314
79 HG13 ILE 10 HG13 ILE 10 0.688 9.474 0.015
80 HG21 ILE 10 HG21 ILE 10 2.198 6.873 0.874
81 HG22 ILE 10 HG22 ILE 10 1.577 5.875 -0.463
82 HG23 ILE 10 HG23 ILE 10 2.104 7.547 -0.772
83 HD11 ILE 10 HD11 ILE 10 -0.958 8.913 -2.316
84 HD12 ILE 10 HD12 ILE 10 0.726 9.485 -2.248
85 HD13 ILE 10 HD13 ILE 10 0.376 7.739 -2.215
86 H ILE 11 H ILE 11 -0.865 5.499 2.187
87 HA ILE 11 HA ILE 11 0.578 3.150 1.865
88 HB ILE 11 HB ILE 11 -1.233 4.305 3.925
89 HG13 ILE 11 HG13 ILE 11 1.607 3.247 4.030
90 HG21 ILE 11 HG21 ILE 11 -0.265 1.433 3.989
91 HG22 ILE 11 HG22 ILE 11 -1.003 2.315 5.348
92 HG23 ILE 11 HG23 ILE 11 -1.956 1.981 3.882
93 HD11 ILE 11 HD11 ILE 11 1.366 5.246 2.554
94 HD12 ILE 11 HD12 ILE 11 0.533 6.102 3.874
95 HD13 ILE 11 HD13 ILE 11 2.241 5.634 4.055
96 H GLN 12 H GLN 12 -2.627 3.984 0.852
97 HA GLN 12 HA GLN 12 -3.768 1.439 1.073
98 HB3 GLN 12 HB3 GLN 12 -4.810 3.053 -1.148
99 HG3 GLN 12 HG3 GLN 12 -6.616 3.169 0.953
100 HE21 GLN 12 HE22 GLN 12 -8.492 2.307 0.302
101 HE22 GLN 12 HE21 GLN 12 -8.705 1.295 -1.087
102 H VAL 13 H VAL 13 -2.380 3.238 -1.771
103 HA VAL 13 HA VAL 13 -2.623 1.162 -3.587
104 HB VAL 13 HB VAL 13 -0.620 3.419 -3.391
105 HG11 VAL 13 HG11 VAL 13 -1.350 1.816 -5.860
106 HG12 VAL 13 HG12 VAL 13 -0.114 3.088 -5.712
107 HG13 VAL 13 HG13 VAL 13 0.110 1.529 -4.884
108 HG21 VAL 13 HG21 VAL 13 -2.817 3.503 -5.371
109 HG22 VAL 13 HG22 VAL 13 -3.322 3.616 -3.668
110 HG23 VAL 13 HG23 VAL 13 -2.156 4.786 -4.330
111 H VAL 14 H VAL 14 0.462 2.213 -1.968
112 HA VAL 14 HA VAL 14 2.074 0.215 -2.635
113 HB VAL 14 HB VAL 14 2.563 0.493 0.091
114 HG11 VAL 14 HG11 VAL 14 3.963 0.834 -2.134
115 HG12 VAL 14 HG12 VAL 14 3.594 2.548 -1.830
116 HG13 VAL 14 HG13 VAL 14 4.460 1.591 -0.602
117 HG21 VAL 14 HG21 VAL 14 2.082 2.693 0.751
118 HG22 VAL 14 HG22 VAL 14 1.683 3.204 -0.907
119 HG23 VAL 14 HG23 VAL 14 0.574 2.136 -0.014
120 H ILE 15 H ILE 15 0.098 0.017 0.414
121 HA ILE 15 HA ILE 15 0.563 -2.647 0.882
122 HB ILE 15 HB ILE 15 -1.764 -0.856 1.559
123 HG13 ILE 15 HG13 ILE 15 0.169 -0.075 2.638
124 HG21 ILE 15 HG21 ILE 15 -1.222 -3.671 2.543
125 HG22 ILE 15 HG22 ILE 15 -2.411 -2.544 3.240
126 HG23 ILE 15 HG23 ILE 15 -2.609 -3.125 1.569
127 HD11 ILE 15 HD11 ILE 15 -0.971 -2.112 4.601
128 HD12 ILE 15 HD12 ILE 15 -0.195 -0.558 4.987
129 HD13 ILE 15 HD13 ILE 15 -1.785 -0.584 4.186
130 H SER 16 H SER 16 -1.925 -1.074 -1.193
131 HA SER 16 HA SER 16 -3.312 -3.414 -1.739
132 HB3 SER 16 HB3 SER 16 -2.998 -0.859 -3.375
133 HG SER 16 HG SER 16 -4.932 -1.507 -4.424
134 H TYR 17 H TYR 17 -0.206 -2.212 -2.789
135 HA TYR 17 HA TYR 17 -0.201 -3.979 -5.119
136 HB3 TYR 17 HB3 TYR 17 1.592 -1.773 -3.942
137 HD1 TYR 17 HD1 TYR 17 3.453 -3.680 -4.039
138 HD2 TYR 17 HD2 TYR 17 1.617 -1.884 -7.461
139 HE1 TYR 17 HE1 TYR 17 5.435 -4.371 -5.474
140 HE2 TYR 17 HE2 TYR 17 3.605 -2.581 -8.884
141 HH TYR 17 HH TYR 17 5.373 -4.573 -8.652
142 H PHE 18 H PHE 18 0.906 -3.716 -1.801
143 HA PHE 18 HA PHE 18 3.036 -5.623 -2.201
144 HB3 PHE 18 HB3 PHE 18 2.743 -5.316 0.507
145 HD1 PHE 18 HD2 PHE 18 5.128 -5.546 -0.614
146 HD2 PHE 18 HD1 PHE 18 2.951 -1.916 -0.314
147 HE1 PHE 18 HE2 PHE 18 7.262 -4.247 -0.861
148 HE2 PHE 18 HE1 PHE 18 5.084 -0.617 -0.561
149 HZ PHE 18 HZ PHE 18 7.214 -1.798 -0.831
150 H LEU 19 H LEU 19 -0.110 -5.430 -0.392
151 HA LEU 19 HA LEU 19 -0.106 -7.948 0.668
152 HB3 LEU 19 HB3 LEU 19 -2.679 -6.935 -0.390
153 HG LEU 19 HG LEU 19 -3.549 -7.368 1.721
154 HD11 LEU 19 HD11 LEU 19 -1.431 -9.397 1.038
155 HD12 LEU 19 HD12 LEU 19 -2.513 -9.617 2.433
156 HD13 LEU 19 HD13 LEU 19 -3.192 -9.477 0.794
157 HD21 LEU 19 HD21 LEU 19 -2.279 -7.603 3.774
158 HD22 LEU 19 HD22 LEU 19 -0.749 -7.422 2.882
159 HD23 LEU 19 HD23 LEU 19 -1.887 -6.057 2.985
160 H MET 20 H MET 20 -0.723 -6.898 -2.683
161 HA MET 20 HA MET 20 -1.874 -9.288 -3.530
162 HB3 MET 20 HB3 MET 20 -0.832 -8.342 -5.823
163 HG3 MET 20 HG3 MET 20 -2.684 -6.350 -4.548
164 HE1 MET 20 HE1 MET 20 -4.667 -8.675 -7.362
165 HE2 MET 20 HE2 MET 20 -3.081 -9.137 -8.027
166 HE3 MET 20 HE3 MET 20 -3.428 -9.385 -6.298
167 H LEU 21 H LEU 21 1.256 -8.685 -2.380
168 HA LEU 21 HA LEU 21 2.336 -10.899 -3.984
169 HB3 LEU 21 HB3 LEU 21 3.316 -8.411 -3.930
170 HG LEU 21 HG LEU 21 3.888 -8.644 -1.442
171 HD11 LEU 21 HD11 LEU 21 4.964 -11.061 -2.229
172 HD12 LEU 21 HD12 LEU 21 6.396 -10.021 -2.040
173 HD13 LEU 21 HD13 LEU 21 5.262 -10.229 -0.684
174 HD21 LEU 21 HD21 LEU 21 5.037 -6.857 -2.118
175 HD22 LEU 21 HD22 LEU 21 6.445 -7.942 -2.222
176 HD23 LEU 21 HD23 LEU 21 5.467 -7.610 -3.672
177 H ILE 22 H ILE 22 1.777 -9.492 -0.752
178 HA ILE 22 HA ILE 22 3.265 -11.406 0.668
179 HB ILE 22 HB ILE 22 0.857 -9.930 1.702
180 HG13 ILE 22 HG13 ILE 22 1.885 -8.129 0.714
181 HG21 ILE 22 HG21 ILE 22 1.915 -11.586 3.182
182 HG22 ILE 22 HG22 ILE 22 3.470 -10.735 3.012
183 HG23 ILE 22 HG23 ILE 22 2.091 -9.925 3.795
184 HD11 ILE 22 HD11 ILE 22 3.114 -6.906 2.401
185 HD12 ILE 22 HD12 ILE 22 1.925 -7.918 3.256
186 HD13 ILE 22 HD13 ILE 22 3.635 -8.413 3.194
187 H PHE 23 H PHE 23 -0.287 -11.141 -0.047
188 HA PHE 23 HA PHE 23 -0.695 -13.795 0.972
189 HB3 PHE 23 HB3 PHE 23 -3.063 -13.183 -0.006
190 HD1 PHE 23 HD1 PHE 23 -0.616 -12.181 2.367
191 HD2 PHE 23 HD2 PHE 23 -4.665 -11.590 1.240
192 HE1 PHE 23 HE1 PHE 23 -1.130 -11.317 4.667
193 HE2 PHE 23 HE2 PHE 23 -5.179 -10.727 3.540
194 HZ PHE 23 HZ PHE 23 -3.405 -10.601 5.226
195 H MET 24 H MET 24 0.968 -13.019 -1.617
196 HA MET 24 HA MET 24 -0.387 -14.999 -3.279
197 HB3 MET 24 HB3 MET 24 0.864 -13.661 -5.195
198 HG3 MET 24 HG3 MET 24 -1.270 -11.932 -3.974
199 HE1 MET 24 HE1 MET 24 -3.419 -13.155 -6.160
200 HE2 MET 24 HE2 MET 24 -3.288 -11.425 -5.761
201 HE3 MET 24 HE3 MET 24 -3.224 -11.954 -7.459
202 H THR 25 H THR 25 2.818 -13.272 -3.151
203 HA THR 25 HA THR 25 4.330 -15.327 -4.176
204 HB THR 25 HB THR 25 5.305 -13.441 -1.993
205 HG1 THR 25 HG1 THR 25 4.612 -12.960 -4.807
206 HG21 THR 25 HG21 THR 25 6.452 -14.918 -4.303
207 HG22 THR 25 HG22 THR 25 6.870 -13.188 -4.287
208 HG23 THR 25 HG23 THR 25 7.278 -14.216 -2.892
209 H TYR 26 H TYR 26 3.615 -14.657 -0.688
210 HA TYR 26 HA TYR 26 4.905 -17.122 0.053
211 HB3 TYR 26 HB3 TYR 26 3.798 -16.263 2.313
212 HD1 TYR 26 HD1 TYR 26 6.115 -15.282 -0.285
213 HD2 TYR 26 HD2 TYR 26 4.981 -14.568 3.778
214 HE1 TYR 26 HE1 TYR 26 8.368 -14.191 0.159
215 HE2 TYR 26 HE2 TYR 26 7.238 -13.481 4.209
216 HH TYR 26 HH TYR 26 9.400 -13.429 3.361
217 H ASN 27 H ASN 27 2.161 -16.707 -1.601
218 HA ASN 27 HA ASN 27 0.649 -18.550 0.072
219 HB3 ASN 27 HB3 ASN 27 -1.126 -17.789 -1.886
220 HD21 ASN 27 HD22 ASN 27 0.598 -15.918 0.614
221 HD22 ASN 27 HD21 ASN 27 -0.740 -15.711 1.694
222 H LYS 28 H LYS 28 2.095 -17.858 -3.128
223 HA LYS 28 HA LYS 28 0.952 -20.099 -4.443
224 HB3 LYS 28 HB3 LYS 28 3.486 -18.860 -5.413
225 HG3 LYS 28 HG3 LYS 28 1.116 -18.787 -7.124
226 HD3 LYS 28 HD3 LYS 28 3.931 -19.798 -7.162
227 HE3 LYS 28 HE3 LYS 28 1.746 -21.390 -8.247
228 HZ1 LYS 28 HZ1 LYS 28 2.002 -20.117 -10.209
229 HZ2 LYS 28 HZ2 LYS 28 3.632 -20.208 -10.163
230 HZ3 LYS 28 HZ3 LYS 28 2.747 -21.547 -10.466
231 H LYS 29 H LYS 29 4.297 -19.390 -3.202
232 HA LYS 29 HA LYS 29 4.818 -22.258 -3.303
233 HB3 LYS 29 HB3 LYS 29 7.045 -20.618 -2.435
234 HG3 LYS 29 HG3 LYS 29 6.343 -22.614 -4.565
235 HD3 LYS 29 HD3 LYS 29 8.173 -20.336 -5.000
236 HE3 LYS 29 HE3 LYS 29 9.534 -22.624 -4.275
237 HZ1 LYS 29 HZ1 LYS 29 8.484 -23.137 -6.775
238 HZ2 LYS 29 HZ2 LYS 29 10.079 -22.866 -6.990
239 HZ3 LYS 29 HZ3 LYS 29 9.580 -24.023 -5.951
Start of MODEL 3
1 H1 LYS 1 H1 LYS 1 -5.653 20.207 4.651
2 HA LYS 1 HA LYS 1 -3.845 21.290 6.671
3 HB3 LYS 1 HB3 LYS 1 -6.767 20.542 6.950
4 HG3 LYS 1 HG3 LYS 1 -4.989 21.006 8.941
5 HD3 LYS 1 HD3 LYS 1 -4.613 23.351 7.761
6 HE3 LYS 1 HE3 LYS 1 -7.350 23.550 8.149
7 HZ1 LYS 1 HZ1 LYS 1 -7.744 24.328 10.152
8 HZ2 LYS 1 HZ2 LYS 1 -6.191 24.079 10.589
9 HZ3 LYS 1 HZ3 LYS 1 -6.646 25.525 9.982
10 H HIS 2 H HIS 2 -5.922 18.391 5.998
11 HA HIS 2 HA HIS 2 -4.365 16.965 8.005
12 HB3 HIS 2 HB3 HIS 2 -6.257 15.918 8.507
13 HD1 HIS 2 HD1 HIS 2 -7.712 17.846 9.352
14 HD2 HIS 2 HD2 HIS 2 -8.064 17.186 5.224
15 HE1 HIS 2 HE1 HIS 2 -9.678 19.270 8.566
16 HE2 HIS 2 HE2 HIS 2 -9.811 18.865 6.013
17 H LEU 3 H LEU 3 -2.401 16.636 6.876
18 HA LEU 3 HA LEU 3 -2.395 15.621 4.227
19 HB3 LEU 3 HB3 LEU 3 0.040 15.256 4.730
20 HG LEU 3 HG LEU 3 -0.321 18.003 5.714
21 HD11 LEU 3 HD11 LEU 3 0.950 16.892 3.198
22 HD12 LEU 3 HD12 LEU 3 1.155 18.529 3.865
23 HD13 LEU 3 HD13 LEU 3 1.774 17.121 4.760
24 HD21 LEU 3 HD21 LEU 3 -1.435 18.910 3.801
25 HD22 LEU 3 HD22 LEU 3 -1.523 17.312 3.023
26 HD23 LEU 3 HD23 LEU 3 -2.473 17.640 4.492
27 H LEU 4 H LEU 4 -2.657 14.234 7.459
28 HA LEU 4 HA LEU 4 -1.729 11.667 6.875
29 HB3 LEU 4 HB3 LEU 4 -3.386 11.121 8.822
30 HG LEU 4 HG LEU 4 -1.860 11.743 10.475
31 HD11 LEU 4 HD11 LEU 4 -0.062 11.707 8.050
32 HD12 LEU 4 HD12 LEU 4 0.244 11.050 9.675
33 HD13 LEU 4 HD13 LEU 4 -0.949 10.269 8.610
34 HD21 LEU 4 HD21 LEU 4 -0.145 13.569 10.110
35 HD22 LEU 4 HD22 LEU 4 -1.096 14.056 8.686
36 HD23 LEU 4 HD23 LEU 4 -1.833 14.102 10.305
37 H GLN 5 H GLN 5 -4.743 13.367 6.124
38 HA GLN 5 HA GLN 5 -6.300 11.113 5.669
39 HB3 GLN 5 HB3 GLN 5 -7.168 13.147 3.889
40 HG3 GLN 5 HG3 GLN 5 -7.889 12.610 6.809
41 HE21 GLN 5 HE22 GLN 5 -10.361 12.889 6.953
42 HE22 GLN 5 HE21 GLN 5 -11.000 14.386 6.359
43 H THR 6 H THR 6 -3.537 12.303 4.018
44 HA THR 6 HA THR 6 -4.350 11.211 1.441
45 HB THR 6 HB THR 6 -1.575 12.183 1.795
46 HG1 THR 6 HG1 THR 6 -2.483 14.403 2.195
47 HG21 THR 6 HG21 THR 6 -2.779 12.070 -0.422
48 HG22 THR 6 HG22 THR 6 -3.954 13.257 0.190
49 HG23 THR 6 HG23 THR 6 -2.251 13.723 -0.026
50 H VAL 7 H VAL 7 -1.717 10.722 3.887
51 HA VAL 7 HA VAL 7 -0.419 8.652 2.786
52 HB VAL 7 HB VAL 7 -1.274 8.806 5.682
53 HG11 VAL 7 HG11 VAL 7 0.971 7.766 6.073
54 HG12 VAL 7 HG12 VAL 7 -0.174 6.718 5.203
55 HG13 VAL 7 HG13 VAL 7 1.125 7.547 4.314
56 HG21 VAL 7 HG21 VAL 7 -0.426 10.938 5.333
57 HG22 VAL 7 HG22 VAL 7 1.032 10.038 5.819
58 HG23 VAL 7 HG23 VAL 7 0.735 10.392 4.100
59 H LEU 8 H LEU 8 -3.740 8.671 4.017
60 HA LEU 8 HA LEU 8 -4.097 5.944 4.366
61 HB3 LEU 8 HB3 LEU 8 -6.466 6.425 4.129
62 HG LEU 8 HG LEU 8 -4.893 8.516 5.631
63 HD11 LEU 8 HD11 LEU 8 -7.902 8.219 5.746
64 HD12 LEU 8 HD12 LEU 8 -6.885 9.420 6.579
65 HD13 LEU 8 HD13 LEU 8 -7.062 9.477 4.808
66 HD21 LEU 8 HD21 LEU 8 -5.014 7.138 7.387
67 HD22 LEU 8 HD22 LEU 8 -6.719 6.729 7.074
68 HD23 LEU 8 HD23 LEU 8 -5.423 5.882 6.194
69 H HIS 9 H HIS 9 -4.543 8.013 1.426
70 HA HIS 9 HA HIS 9 -5.284 5.825 -0.187
71 HB3 HIS 9 HB3 HIS 9 -4.329 7.776 -1.901
72 HD1 HIS 9 HD1 HIS 9 -6.315 6.064 -2.824
73 HD2 HIS 9 HD2 HIS 9 -7.480 9.264 -0.375
74 HE1 HIS 9 HE1 HIS 9 -8.819 6.380 -3.202
75 HE2 HIS 9 HE2 HIS 9 -9.488 8.324 -1.630
76 H ILE 10 H ILE 10 -2.190 7.581 0.428
77 HA ILE 10 HA ILE 10 -0.654 6.313 -1.480
78 HB ILE 10 HB ILE 10 0.018 7.445 1.231
79 HG13 ILE 10 HG13 ILE 10 -0.901 8.847 -0.778
80 HG21 ILE 10 HG21 ILE 10 1.700 5.919 -0.631
81 HG22 ILE 10 HG22 ILE 10 2.359 7.513 -0.192
82 HG23 ILE 10 HG23 ILE 10 1.955 6.337 1.080
83 HD11 ILE 10 HD11 ILE 10 -0.162 10.164 0.990
84 HD12 ILE 10 HD12 ILE 10 1.432 9.374 1.050
85 HD13 ILE 10 HD13 ILE 10 1.078 10.568 -0.222
86 H ILE 11 H ILE 11 -0.855 5.450 2.050
87 HA ILE 11 HA ILE 11 0.513 3.068 1.816
88 HB ILE 11 HB ILE 11 -1.379 4.281 3.759
89 HG13 ILE 11 HG13 ILE 11 1.387 3.074 4.062
90 HG21 ILE 11 HG21 ILE 11 -0.567 1.363 3.869
91 HG22 ILE 11 HG22 ILE 11 -1.328 2.280 5.190
92 HG23 ILE 11 HG23 ILE 11 -2.216 2.001 3.671
93 HD11 ILE 11 HD11 ILE 11 1.947 5.599 4.296
94 HD12 ILE 11 HD12 ILE 11 1.677 4.973 2.651
95 HD13 ILE 11 HD13 ILE 11 0.392 5.886 3.477
96 H GLN 12 H GLN 12 -2.652 3.951 0.673
97 HA GLN 12 HA GLN 12 -3.819 1.419 0.798
98 HB3 GLN 12 HB3 GLN 12 -4.637 3.201 -1.440
99 HG3 GLN 12 HG3 GLN 12 -6.398 2.619 0.901
100 HE21 GLN 12 HE22 GLN 12 -7.296 0.529 -1.321
101 HE22 GLN 12 HE21 GLN 12 -8.273 1.487 -2.383
102 H VAL 13 H VAL 13 -2.340 3.226 -1.997
103 HA VAL 13 HA VAL 13 -2.492 1.165 -3.822
104 HB VAL 13 HB VAL 13 -0.445 3.372 -3.530
105 HG11 VAL 13 HG11 VAL 13 -1.177 2.133 -6.163
106 HG12 VAL 13 HG12 VAL 13 0.315 2.970 -5.671
107 HG13 VAL 13 HG13 VAL 13 0.001 1.309 -5.113
108 HG21 VAL 13 HG21 VAL 13 -2.628 4.334 -3.641
109 HG22 VAL 13 HG22 VAL 13 -1.909 4.492 -5.261
110 HG23 VAL 13 HG23 VAL 13 -3.122 3.229 -4.946
111 H VAL 14 H VAL 14 0.531 2.170 -2.064
112 HA VAL 14 HA VAL 14 2.148 0.158 -2.671
113 HB VAL 14 HB VAL 14 2.527 0.411 0.072
114 HG11 VAL 14 HG11 VAL 14 4.121 0.665 -1.914
115 HG12 VAL 14 HG12 VAL 14 3.595 2.364 -1.976
116 HG13 VAL 14 HG13 VAL 14 4.394 1.733 -0.517
117 HG21 VAL 14 HG21 VAL 14 2.034 2.608 0.736
118 HG22 VAL 14 HG22 VAL 14 1.692 3.135 -0.929
119 HG23 VAL 14 HG23 VAL 14 0.551 2.062 -0.084
120 H ILE 15 H ILE 15 0.055 -0.038 0.300
121 HA ILE 15 HA ILE 15 0.462 -2.707 0.770
122 HB ILE 15 HB ILE 15 -1.872 -0.893 1.346
123 HG13 ILE 15 HG13 ILE 15 0.025 -0.155 2.520
124 HG21 ILE 15 HG21 ILE 15 -1.424 -3.730 2.311
125 HG22 ILE 15 HG22 ILE 15 -2.612 -2.591 2.990
126 HG23 ILE 15 HG23 ILE 15 -2.765 -3.135 1.302
127 HD11 ILE 15 HD11 ILE 15 -0.479 -0.621 4.842
128 HD12 ILE 15 HD12 ILE 15 -2.024 -0.631 3.959
129 HD13 ILE 15 HD13 ILE 15 -1.254 -2.167 4.422
130 H SER 16 H SER 16 -1.931 -1.106 -1.398
131 HA SER 16 HA SER 16 -3.304 -3.431 -2.024
132 HB3 SER 16 HB3 SER 16 -2.891 -0.888 -3.659
133 HG SER 16 HG SER 16 -4.395 -3.220 -4.114
134 H TYR 17 H TYR 17 -0.146 -2.242 -2.935
135 HA TYR 17 HA TYR 17 -0.049 -4.019 -5.257
136 HB3 TYR 17 HB3 TYR 17 1.694 -1.801 -4.027
137 HD1 TYR 17 HD1 TYR 17 3.560 -3.705 -4.041
138 HD2 TYR 17 HD2 TYR 17 1.853 -1.934 -7.541
139 HE1 TYR 17 HE1 TYR 17 5.596 -4.401 -5.395
140 HE2 TYR 17 HE2 TYR 17 3.895 -2.636 -8.884
141 HH TYR 17 HH TYR 17 6.144 -4.869 -7.706
142 H PHE 18 H PHE 18 0.882 -3.766 -1.896
143 HA PHE 18 HA PHE 18 3.017 -5.703 -2.220
144 HB3 PHE 18 HB3 PHE 18 3.068 -5.293 0.350
145 HD1 PHE 18 HD2 PHE 18 4.688 -4.608 -2.097
146 HD2 PHE 18 HD1 PHE 18 2.740 -2.141 0.754
147 HE1 PHE 18 HE2 PHE 18 6.331 -2.770 -2.566
148 HE2 PHE 18 HE1 PHE 18 4.383 -0.303 0.285
149 HZ PHE 18 HZ PHE 18 6.158 -0.639 -1.369
150 H LEU 19 H LEU 19 -0.166 -5.356 -0.510
151 HA LEU 19 HA LEU 19 -0.243 -7.822 0.676
152 HB3 LEU 19 HB3 LEU 19 -2.708 -6.638 -0.533
153 HG LEU 19 HG LEU 19 -3.825 -7.307 1.345
154 HD11 LEU 19 HD11 LEU 19 -3.113 -9.332 0.290
155 HD12 LEU 19 HD12 LEU 19 -1.537 -9.277 1.116
156 HD13 LEU 19 HD13 LEU 19 -3.023 -9.568 2.052
157 HD21 LEU 19 HD21 LEU 19 -2.542 -6.039 2.954
158 HD22 LEU 19 HD22 LEU 19 -2.795 -7.693 3.560
159 HD23 LEU 19 HD23 LEU 19 -1.216 -7.224 2.884
160 H MET 20 H MET 20 -0.672 -6.924 -2.735
161 HA MET 20 HA MET 20 -1.881 -9.331 -3.497
162 HB3 MET 20 HB3 MET 20 -1.901 -7.190 -4.830
163 HG3 MET 20 HG3 MET 20 0.920 -7.319 -4.407
164 HE1 MET 20 HE1 MET 20 2.732 -6.194 -6.650
165 HE2 MET 20 HE2 MET 20 2.109 -6.381 -8.308
166 HE3 MET 20 HE3 MET 20 1.202 -5.414 -7.120
167 H LEU 21 H LEU 21 1.201 -8.757 -2.263
168 HA LEU 21 HA LEU 21 2.311 -11.014 -3.780
169 HB3 LEU 21 HB3 LEU 21 4.523 -10.095 -3.209
170 HG LEU 21 HG LEU 21 2.664 -8.244 -4.710
171 HD11 LEU 21 HD11 LEU 21 5.669 -7.966 -4.423
172 HD12 LEU 21 HD12 LEU 21 4.618 -7.007 -5.494
173 HD13 LEU 21 HD13 LEU 21 4.443 -6.879 -3.726
174 HD21 LEU 21 HD21 LEU 21 3.233 -10.523 -5.632
175 HD22 LEU 21 HD22 LEU 21 3.639 -9.141 -6.678
176 HD23 LEU 21 HD23 LEU 21 4.919 -9.967 -5.756
177 H ILE 22 H ILE 22 1.717 -9.501 -0.593
178 HA ILE 22 HA ILE 22 3.114 -11.371 0.936
179 HB ILE 22 HB ILE 22 0.623 -9.915 1.796
180 HG13 ILE 22 HG13 ILE 22 1.723 -8.141 0.805
181 HG21 ILE 22 HG21 ILE 22 1.754 -9.841 3.961
182 HG22 ILE 22 HG22 ILE 22 1.569 -11.515 3.387
183 HG23 ILE 22 HG23 ILE 22 3.150 -10.706 3.274
184 HD11 ILE 22 HD11 ILE 22 1.482 -7.811 3.311
185 HD12 ILE 22 HD12 ILE 22 3.181 -8.317 3.478
186 HD13 ILE 22 HD13 ILE 22 2.777 -6.843 2.567
187 H PHE 23 H PHE 23 -0.389 -11.217 -0.010
188 HA PHE 23 HA PHE 23 -0.780 -13.867 1.052
189 HB3 PHE 23 HB3 PHE 23 -2.600 -12.078 -0.662
190 HD1 PHE 23 HD1 PHE 23 -2.184 -15.248 0.592
191 HD2 PHE 23 HD2 PHE 23 -5.022 -12.093 0.612
192 HE1 PHE 23 HE1 PHE 23 -4.014 -16.897 1.070
193 HE2 PHE 23 HE2 PHE 23 -6.852 -13.744 1.090
194 HZ PHE 23 HZ PHE 23 -6.326 -16.126 1.313
195 H MET 24 H MET 24 1.018 -13.165 -1.416
196 HA MET 24 HA MET 24 -0.192 -15.216 -3.090
197 HB3 MET 24 HB3 MET 24 0.931 -13.817 -5.040
198 HG3 MET 24 HG3 MET 24 -1.274 -12.111 -4.112
199 HE1 MET 24 HE1 MET 24 -3.475 -13.136 -5.220
200 HE2 MET 24 HE2 MET 24 -3.476 -12.485 -6.877
201 HE3 MET 24 HE3 MET 24 -3.437 -14.245 -6.612
202 H THR 25 H THR 25 2.821 -13.204 -3.312
203 HA THR 25 HA THR 25 4.475 -15.260 -4.096
204 HB THR 25 HB THR 25 5.071 -12.731 -2.471
205 HG1 THR 25 HG1 THR 25 4.069 -12.245 -4.478
206 HG21 THR 25 HG21 THR 25 7.115 -14.030 -2.497
207 HG22 THR 25 HG22 THR 25 6.810 -14.592 -4.158
208 HG23 THR 25 HG23 THR 25 7.251 -12.894 -3.861
209 H TYR 26 H TYR 26 4.001 -14.013 -0.722
210 HA TYR 26 HA TYR 26 5.560 -16.174 0.330
211 HB3 TYR 26 HB3 TYR 26 4.483 -15.069 2.486
212 HD1 TYR 26 HD1 TYR 26 5.728 -13.164 -0.509
213 HD2 TYR 26 HD2 TYR 26 6.244 -14.101 3.633
214 HE1 TYR 26 HE1 TYR 26 7.825 -11.729 -0.439
215 HE2 TYR 26 HE2 TYR 26 8.340 -12.664 3.690
216 HH TYR 26 HH TYR 26 9.177 -10.651 2.342
217 H ASN 27 H ASN 27 2.604 -16.235 -1.105
218 HA ASN 27 HA ASN 27 1.629 -18.192 0.826
219 HB3 ASN 27 HB3 ASN 27 -0.651 -17.600 -0.491
220 HD21 ASN 27 HD22 ASN 27 1.492 -15.344 1.254
221 HD22 ASN 27 HD21 ASN 27 0.540 -15.208 2.694
222 H LYS 28 H LYS 28 3.376 -18.063 -1.845
223 HA LYS 28 HA LYS 28 1.741 -19.902 -3.435
224 HB3 LYS 28 HB3 LYS 28 3.936 -17.966 -4.086
225 HG3 LYS 28 HG3 LYS 28 3.586 -20.673 -5.237
226 HD3 LYS 28 HD3 LYS 28 3.849 -18.317 -7.153
227 HE3 LYS 28 HE3 LYS 28 4.212 -21.206 -7.339
228 HZ1 LYS 28 HZ1 LYS 28 2.124 -21.507 -8.152
229 HZ2 LYS 28 HZ2 LYS 28 1.988 -20.003 -8.772
230 HZ3 LYS 28 HZ3 LYS 28 2.899 -21.122 -9.537
231 H LYS 29 H LYS 29 5.169 -19.416 -2.322
232 HA LYS 29 HA LYS 29 6.161 -21.853 -2.944
233 HB3 LYS 29 HB3 LYS 29 6.804 -20.502 -0.321
234 HG3 LYS 29 HG3 LYS 29 8.486 -21.879 -2.470
235 HD3 LYS 29 HD3 LYS 29 9.125 -20.313 0.008
236 HE3 LYS 29 HE3 LYS 29 10.340 -22.998 -0.696
237 HZ1 LYS 29 HZ1 LYS 29 11.776 -21.039 0.910
238 HZ2 LYS 29 HZ2 LYS 29 12.346 -22.374 0.162
239 HZ3 LYS 29 HZ3 LYS 29 11.974 -21.044 -0.711
Start of MODEL 4
1 H1 LYS 1 H1 LYS 1 -6.922 19.728 8.608
2 HA LYS 1 HA LYS 1 -4.659 19.990 8.921
3 HB3 LYS 1 HB3 LYS 1 -3.935 19.701 11.512
4 HG3 LYS 1 HG3 LYS 1 -4.956 22.315 10.306
5 HD3 LYS 1 HD3 LYS 1 -3.096 21.556 12.550
6 HE3 LYS 1 HE3 LYS 1 -2.484 24.234 11.976
7 HZ1 LYS 1 HZ1 LYS 1 -0.380 22.989 11.112
8 HZ2 LYS 1 HZ2 LYS 1 -0.764 22.995 12.700
9 HZ3 LYS 1 HZ3 LYS 1 -1.116 21.693 11.778
10 H HIS 2 H HIS 2 -5.847 17.835 7.955
11 HA HIS 2 HA HIS 2 -4.690 15.640 9.515
12 HB3 HIS 2 HB3 HIS 2 -6.737 14.776 9.589
13 HD1 HIS 2 HD1 HIS 2 -7.574 16.420 6.245
14 HD2 HIS 2 HD2 HIS 2 -8.727 16.563 10.276
15 HE1 HIS 2 HE1 HIS 2 -9.625 17.935 6.348
16 HE2 HIS 2 HE2 HIS 2 -10.319 17.940 8.842
17 H LEU 3 H LEU 3 -2.682 15.499 8.526
18 HA LEU 3 HA LEU 3 -2.435 15.764 5.697
19 HB3 LEU 3 HB3 LEU 3 -0.079 15.077 6.160
20 HG LEU 3 HG LEU 3 -0.529 17.099 8.273
21 HD11 LEU 3 HD11 LEU 3 1.696 16.671 7.441
22 HD12 LEU 3 HD12 LEU 3 1.173 16.984 5.768
23 HD13 LEU 3 HD13 LEU 3 1.190 18.308 6.958
24 HD21 LEU 3 HD21 LEU 3 -1.438 17.598 5.425
25 HD22 LEU 3 HD22 LEU 3 -2.435 17.644 6.898
26 HD23 LEU 3 HD23 LEU 3 -1.162 18.861 6.648
27 H LEU 4 H LEU 4 -2.502 13.056 8.076
28 HA LEU 4 HA LEU 4 -1.813 10.992 6.433
29 HB3 LEU 4 HB3 LEU 4 -3.393 9.650 7.918
30 HG LEU 4 HG LEU 4 -2.079 9.797 9.899
31 HD11 LEU 4 HD11 LEU 4 -0.157 10.510 7.679
32 HD12 LEU 4 HD12 LEU 4 0.100 9.427 9.068
33 HD13 LEU 4 HD13 LEU 4 -1.009 8.949 7.761
34 HD21 LEU 4 HD21 LEU 4 -0.878 12.407 8.956
35 HD22 LEU 4 HD22 LEU 4 -2.263 12.315 10.071
36 HD23 LEU 4 HD23 LEU 4 -0.696 11.611 10.538
37 H GLN 5 H GLN 5 -4.809 12.905 6.504
38 HA GLN 5 HA GLN 5 -6.624 11.398 5.354
39 HB3 GLN 5 HB3 GLN 5 -5.895 14.198 4.388
40 HG3 GLN 5 HG3 GLN 5 -8.719 13.710 4.585
41 HE21 GLN 5 HE22 GLN 5 -9.059 15.585 3.630
42 HE22 GLN 5 HE21 GLN 5 -8.494 16.063 2.063
43 H THR 6 H THR 6 -3.591 12.450 3.841
44 HA THR 6 HA THR 6 -4.445 11.319 1.278
45 HB THR 6 HB THR 6 -3.314 13.664 1.632
46 HG1 THR 6 HG1 THR 6 -3.536 12.511 -0.424
47 HG21 THR 6 HG21 THR 6 -0.892 11.788 1.725
48 HG22 THR 6 HG22 THR 6 -0.831 13.556 1.522
49 HG23 THR 6 HG23 THR 6 -1.404 12.855 3.055
50 H VAL 7 H VAL 7 -1.773 11.060 3.708
51 HA VAL 7 HA VAL 7 -0.343 9.063 2.569
52 HB VAL 7 HB VAL 7 -1.047 9.251 5.502
53 HG11 VAL 7 HG11 VAL 7 1.531 8.607 5.515
54 HG12 VAL 7 HG12 VAL 7 0.261 7.368 5.379
55 HG13 VAL 7 HG13 VAL 7 1.123 7.922 3.924
56 HG21 VAL 7 HG21 VAL 7 -0.429 11.442 5.066
57 HG22 VAL 7 HG22 VAL 7 1.139 10.699 5.465
58 HG23 VAL 7 HG23 VAL 7 0.694 10.981 3.765
59 H LEU 8 H LEU 8 -3.463 8.821 4.337
60 HA LEU 8 HA LEU 8 -3.594 6.098 4.629
61 HB3 LEU 8 HB3 LEU 8 -5.982 6.384 4.755
62 HG LEU 8 HG LEU 8 -4.257 8.413 6.056
63 HD11 LEU 8 HD11 LEU 8 -5.773 9.999 6.544
64 HD12 LEU 8 HD12 LEU 8 -6.567 9.430 5.057
65 HD13 LEU 8 HD13 LEU 8 -7.120 8.840 6.642
66 HD21 LEU 8 HD21 LEU 8 -5.798 7.530 8.008
67 HD22 LEU 8 HD22 LEU 8 -6.136 6.225 6.846
68 HD23 LEU 8 HD23 LEU 8 -4.463 6.545 7.363
69 H HIS 9 H HIS 9 -4.541 8.120 1.778
70 HA HIS 9 HA HIS 9 -5.366 5.909 0.256
71 HB3 HIS 9 HB3 HIS 9 -4.392 8.275 -1.208
72 HD1 HIS 9 HD1 HIS 9 -5.243 6.360 -3.003
73 HD2 HIS 9 HD2 HIS 9 -8.171 8.224 -0.650
74 HE1 HIS 9 HE1 HIS 9 -7.472 5.935 -4.168
75 HE2 HIS 9 HE2 HIS 9 -9.240 7.056 -2.647
76 H ILE 10 H ILE 10 -2.237 7.482 0.873
77 HA ILE 10 HA ILE 10 -0.879 6.352 -1.317
78 HB ILE 10 HB ILE 10 0.023 7.469 1.332
79 HG13 ILE 10 HG13 ILE 10 0.746 9.377 -0.052
80 HG21 ILE 10 HG21 ILE 10 1.798 6.053 0.845
81 HG22 ILE 10 HG22 ILE 10 1.632 6.277 -0.912
82 HG23 ILE 10 HG23 ILE 10 2.292 7.589 0.093
83 HD11 ILE 10 HD11 ILE 10 0.721 9.340 -2.321
84 HD12 ILE 10 HD12 ILE 10 0.441 7.585 -2.198
85 HD13 ILE 10 HD13 ILE 10 -0.939 8.698 -2.356
86 H ILE 11 H ILE 11 -0.886 5.433 2.204
87 HA ILE 11 HA ILE 11 0.530 3.081 1.854
88 HB ILE 11 HB ILE 11 -1.267 4.225 3.927
89 HG13 ILE 11 HG13 ILE 11 1.558 3.126 4.016
90 HG21 ILE 11 HG21 ILE 11 -0.342 1.339 3.961
91 HG22 ILE 11 HG22 ILE 11 -1.073 2.217 5.326
92 HG23 ILE 11 HG23 ILE 11 -2.024 1.912 3.852
93 HD11 ILE 11 HD11 ILE 11 0.540 6.003 3.943
94 HD12 ILE 11 HD12 ILE 11 2.239 5.485 4.052
95 HD13 ILE 11 HD13 ILE 11 1.305 5.163 2.572
96 H GLN 12 H GLN 12 -2.683 3.934 0.871
97 HA GLN 12 HA GLN 12 -3.816 1.382 1.051
98 HB3 GLN 12 HB3 GLN 12 -4.864 3.065 -1.127
99 HG3 GLN 12 HG3 GLN 12 -6.264 2.699 1.502
100 HE21 GLN 12 HE22 GLN 12 -8.473 2.290 1.174
101 HE22 GLN 12 HE21 GLN 12 -9.269 2.659 -0.320
102 H VAL 13 H VAL 13 -2.428 3.241 -1.753
103 HA VAL 13 HA VAL 13 -2.689 1.202 -3.614
104 HB VAL 13 HB VAL 13 -0.660 3.436 -3.408
105 HG11 VAL 13 HG11 VAL 13 -0.013 3.065 -5.587
106 HG12 VAL 13 HG12 VAL 13 -0.298 1.393 -5.049
107 HG13 VAL 13 HG13 VAL 13 -1.530 2.240 -6.017
108 HG21 VAL 13 HG21 VAL 13 -2.163 4.837 -4.470
109 HG22 VAL 13 HG22 VAL 13 -3.095 3.492 -5.167
110 HG23 VAL 13 HG23 VAL 13 -3.251 3.880 -3.437
111 H VAL 14 H VAL 14 0.403 2.237 -2.001
112 HA VAL 14 HA VAL 14 2.023 0.264 -2.719
113 HB VAL 14 HB VAL 14 2.532 0.482 0.006
114 HG11 VAL 14 HG11 VAL 14 3.554 2.637 -1.776
115 HG12 VAL 14 HG12 VAL 14 4.429 1.521 -0.701
116 HG13 VAL 14 HG13 VAL 14 3.855 0.960 -2.289
117 HG21 VAL 14 HG21 VAL 14 1.612 3.209 -0.910
118 HG22 VAL 14 HG22 VAL 14 0.524 2.105 -0.034
119 HG23 VAL 14 HG23 VAL 14 2.034 2.658 0.729
120 H ILE 15 H ILE 15 0.041 -0.010 0.322
121 HA ILE 15 HA ILE 15 0.533 -2.676 0.747
122 HB ILE 15 HB ILE 15 -1.808 -0.913 1.439
123 HG13 ILE 15 HG13 ILE 15 0.118 -0.169 2.558
124 HG21 ILE 15 HG21 ILE 15 -2.655 -3.182 1.377
125 HG22 ILE 15 HG22 ILE 15 -1.286 -3.753 2.360
126 HG23 ILE 15 HG23 ILE 15 -2.485 -2.642 3.064
127 HD11 ILE 15 HD11 ILE 15 -1.090 -2.237 4.447
128 HD12 ILE 15 HD12 ILE 15 -0.274 -0.721 4.897
129 HD13 ILE 15 HD13 ILE 15 -1.851 -0.672 4.073
130 H SER 16 H SER 16 -1.997 -1.105 -1.287
131 HA SER 16 HA SER 16 -3.326 -3.458 -1.897
132 HB3 SER 16 HB3 SER 16 -3.916 -1.984 -4.056
133 HG SER 16 HG SER 16 -4.766 -1.926 -1.397
134 H TYR 17 H TYR 17 -0.247 -2.165 -2.918
135 HA TYR 17 HA TYR 17 -0.204 -3.875 -5.289
136 HB3 TYR 17 HB3 TYR 17 1.544 -1.665 -4.055
137 HD1 TYR 17 HD1 TYR 17 3.443 -3.531 -4.198
138 HD2 TYR 17 HD2 TYR 17 1.575 -1.688 -7.576
139 HE1 TYR 17 HE1 TYR 17 5.438 -4.149 -5.647
140 HE2 TYR 17 HE2 TYR 17 3.576 -2.311 -9.014
141 HH TYR 17 HH TYR 17 6.310 -4.106 -7.617
142 H PHE 18 H PHE 18 0.883 -3.683 -1.962
143 HA PHE 18 HA PHE 18 3.053 -5.537 -2.408
144 HB3 PHE 18 HB3 PHE 18 3.007 -5.297 0.224
145 HD1 PHE 18 HD2 PHE 18 4.885 -4.693 -1.946
146 HD2 PHE 18 HD1 PHE 18 2.659 -2.063 0.532
147 HE1 PHE 18 HE2 PHE 18 6.618 -2.909 -2.282
148 HE2 PHE 18 HE1 PHE 18 4.392 -0.278 0.194
149 HZ PHE 18 HZ PHE 18 6.351 -0.723 -1.210
150 H LEU 19 H LEU 19 -0.090 -5.444 -0.587
151 HA LEU 19 HA LEU 19 -0.052 -7.975 0.421
152 HB3 LEU 19 HB3 LEU 19 -2.681 -7.244 -0.562
153 HG LEU 19 HG LEU 19 -1.677 -6.958 2.270
154 HD11 LEU 19 HD11 LEU 19 -4.396 -7.940 1.512
155 HD12 LEU 19 HD12 LEU 19 -3.869 -6.988 2.920
156 HD13 LEU 19 HD13 LEU 19 -4.029 -6.208 1.329
157 HD21 LEU 19 HD21 LEU 19 -2.959 -9.507 1.748
158 HD22 LEU 19 HD22 LEU 19 -1.470 -9.317 0.792
159 HD23 LEU 19 HD23 LEU 19 -1.418 -9.146 2.562
160 H MET 20 H MET 20 -0.719 -6.892 -2.921
161 HA MET 20 HA MET 20 -1.804 -9.261 -3.834
162 HB3 MET 20 HB3 MET 20 -0.099 -7.121 -5.225
163 HG3 MET 20 HG3 MET 20 -1.722 -9.444 -6.330
164 HE1 MET 20 HE1 MET 20 -2.961 -9.578 -7.903
165 HE2 MET 20 HE2 MET 20 -3.963 -8.144 -8.230
166 HE3 MET 20 HE3 MET 20 -2.870 -8.772 -9.486
167 H LEU 21 H LEU 21 1.349 -8.633 -2.658
168 HA LEU 21 HA LEU 21 2.413 -10.908 -4.182
169 HB3 LEU 21 HB3 LEU 21 4.606 -10.001 -3.836
170 HG LEU 21 HG LEU 21 2.623 -7.993 -4.891
171 HD11 LEU 21 HD11 LEU 21 4.389 -6.667 -3.868
172 HD12 LEU 21 HD12 LEU 21 5.626 -7.614 -4.729
173 HD13 LEU 21 HD13 LEU 21 4.494 -6.590 -5.644
174 HD21 LEU 21 HD21 LEU 21 4.208 -10.175 -5.974
175 HD22 LEU 21 HD22 LEU 21 2.846 -9.280 -6.691
176 HD23 LEU 21 HD23 LEU 21 4.503 -8.647 -6.838
177 H ILE 22 H ILE 22 1.743 -9.464 -1.003
178 HA ILE 22 HA ILE 22 3.235 -11.305 0.506
179 HB ILE 22 HB ILE 22 0.755 -9.824 1.366
180 HG13 ILE 22 HG13 ILE 22 1.937 -8.065 0.456
181 HG21 ILE 22 HG21 ILE 22 1.641 -9.945 3.560
182 HG22 ILE 22 HG22 ILE 22 1.777 -11.581 2.872
183 HG23 ILE 22 HG23 ILE 22 3.214 -10.535 2.974
184 HD11 ILE 22 HD11 ILE 22 1.670 -7.755 2.945
185 HD12 ILE 22 HD12 ILE 22 3.317 -8.396 3.158
186 HD13 ILE 22 HD13 ILE 22 3.063 -6.875 2.270
187 H PHE 23 H PHE 23 -0.320 -11.147 -0.243
188 HA PHE 23 HA PHE 23 -0.753 -13.732 0.840
189 HB3 PHE 23 HB3 PHE 23 -2.988 -13.284 -0.510
190 HD1 PHE 23 HD1 PHE 23 -0.878 -11.893 2.041
191 HD2 PHE 23 HD2 PHE 23 -4.819 -11.846 0.469
192 HE1 PHE 23 HE1 PHE 23 -1.724 -10.910 4.190
193 HE2 PHE 23 HE2 PHE 23 -5.665 -10.864 2.618
194 HZ PHE 23 HZ PHE 23 -4.108 -10.408 4.453
195 H MET 24 H MET 24 0.902 -12.816 -1.906
196 HA MET 24 HA MET 24 -0.149 -15.041 -3.457
197 HB3 MET 24 HB3 MET 24 1.779 -13.674 -5.003
198 HG3 MET 24 HG3 MET 24 -0.798 -12.414 -5.365
199 HE1 MET 24 HE1 MET 24 -0.844 -12.902 -8.971
200 HE2 MET 24 HE2 MET 24 -1.649 -12.361 -7.479
201 HE3 MET 24 HE3 MET 24 -0.086 -11.652 -7.954
202 H THR 25 H THR 25 2.570 -13.932 -1.547
203 HA THR 25 HA THR 25 4.346 -15.947 -2.687
204 HB THR 25 HB THR 25 5.953 -14.800 -1.027
205 HG1 THR 25 HG1 THR 25 4.543 -13.799 0.426
206 HG21 THR 25 HG21 THR 25 5.656 -12.437 -2.230
207 HG22 THR 25 HG22 THR 25 6.217 -13.840 -3.171
208 HG23 THR 25 HG23 THR 25 4.511 -13.335 -3.257
209 H TYR 26 H TYR 26 2.596 -15.159 0.355
210 HA TYR 26 HA TYR 26 3.635 -17.518 1.634
211 HB3 TYR 26 HB3 TYR 26 1.759 -16.652 3.305
212 HD1 TYR 26 HD1 TYR 26 4.802 -15.626 1.648
213 HD2 TYR 26 HD2 TYR 26 2.253 -14.818 4.987
214 HE1 TYR 26 HE1 TYR 26 6.693 -14.374 2.798
215 HE2 TYR 26 HE2 TYR 26 4.153 -13.569 6.126
216 HH TYR 26 HH TYR 26 7.061 -13.894 5.650
217 H ASN 27 H ASN 27 1.627 -17.305 -0.901
218 HA ASN 27 HA ASN 27 -0.738 -18.434 -0.154
219 HB3 ASN 27 HB3 ASN 27 -0.069 -17.580 -2.468
220 HD21 ASN 27 HD22 ASN 27 2.232 -17.649 -2.667
221 HD22 ASN 27 HD21 ASN 27 3.017 -18.926 -3.533
222 H LYS 28 H LYS 28 2.454 -19.923 -0.998
223 HA LYS 28 HA LYS 28 1.395 -22.574 -0.460
224 HB3 LYS 28 HB3 LYS 28 4.088 -22.845 -1.008
225 HG3 LYS 28 HG3 LYS 28 3.098 -23.123 -3.462
226 HD3 LYS 28 HD3 LYS 28 1.658 -24.954 -1.607
227 HE3 LYS 28 HE3 LYS 28 2.831 -25.057 -4.176
228 HZ1 LYS 28 HZ1 LYS 28 4.157 -27.212 -3.017
229 HZ2 LYS 28 HZ2 LYS 28 4.781 -26.013 -3.933
230 HZ3 LYS 28 HZ3 LYS 28 4.703 -25.845 -2.311
231 H LYS 29 H LYS 29 4.172 -20.499 0.641
232 HA LYS 29 HA LYS 29 4.991 -22.050 2.724
233 HB3 LYS 29 HB3 LYS 29 5.345 -19.485 3.673
234 HG3 LYS 29 HG3 LYS 29 6.910 -21.100 1.610
235 HD3 LYS 29 HD3 LYS 29 8.567 -19.335 3.169
236 HE3 LYS 29 HE3 LYS 29 7.847 -19.197 0.204
237 HZ1 LYS 29 HZ1 LYS 29 9.950 -18.125 1.877
238 HZ2 LYS 29 HZ2 LYS 29 10.371 -18.640 0.386
239 HZ3 LYS 29 HZ3 LYS 29 9.238 -17.477 0.556
Start of MODEL 5
1 H1 LYS 1 H1 LYS 1 -6.037 17.877 12.037
2 HA LYS 1 HA LYS 1 -4.375 18.629 9.755
3 HB3 LYS 1 HB3 LYS 1 -3.368 17.642 12.434
4 HG3 LYS 1 HG3 LYS 1 -1.172 18.084 10.777
5 HD3 LYS 1 HD3 LYS 1 -1.960 15.280 10.688
6 HE3 LYS 1 HE3 LYS 1 -0.100 15.331 12.600
7 HZ1 LYS 1 HZ1 LYS 1 1.534 15.755 10.757
8 HZ2 LYS 1 HZ2 LYS 1 0.466 14.544 10.509
9 HZ3 LYS 1 HZ3 LYS 1 0.253 15.985 9.770
10 H HIS 2 H HIS 2 -6.120 17.281 8.741
11 HA HIS 2 HA HIS 2 -5.899 14.463 9.410
12 HB3 HIS 2 HB3 HIS 2 -7.699 14.832 7.272
13 HD1 HIS 2 HD1 HIS 2 -10.338 15.097 8.850
14 HD2 HIS 2 HD2 HIS 2 -7.005 12.941 10.207
15 HE1 HIS 2 HE1 HIS 2 -11.223 13.395 10.531
16 HE2 HIS 2 HE2 HIS 2 -9.138 12.064 11.290
17 H LEU 3 H LEU 3 -3.728 16.150 8.078
18 HA LEU 3 HA LEU 3 -3.461 15.832 5.432
19 HB3 LEU 3 HB3 LEU 3 -0.979 15.386 5.997
20 HG LEU 3 HG LEU 3 -0.847 17.693 7.285
21 HD11 LEU 3 HD11 LEU 3 -1.796 17.585 4.412
22 HD12 LEU 3 HD12 LEU 3 -0.784 18.832 5.179
23 HD13 LEU 3 HD13 LEU 3 -0.144 17.187 4.944
24 HD21 LEU 3 HD21 LEU 3 -2.828 19.119 6.593
25 HD22 LEU 3 HD22 LEU 3 -3.705 17.595 6.311
26 HD23 LEU 3 HD23 LEU 3 -3.097 17.984 7.939
27 H LEU 4 H LEU 4 -3.240 13.269 7.928
28 HA LEU 4 HA LEU 4 -2.121 11.227 6.605
29 HB3 LEU 4 HB3 LEU 4 -3.869 9.790 7.817
30 HG LEU 4 HG LEU 4 -2.974 10.122 9.990
31 HD11 LEU 4 HD11 LEU 4 -1.375 9.759 7.769
32 HD12 LEU 4 HD12 LEU 4 -0.520 11.025 8.682
33 HD13 LEU 4 HD13 LEU 4 -0.906 9.473 9.462
34 HD21 LEU 4 HD21 LEU 4 -1.835 12.805 9.196
35 HD22 LEU 4 HD22 LEU 4 -3.425 12.625 9.975
36 HD23 LEU 4 HD23 LEU 4 -1.955 12.080 10.818
37 H GLN 5 H GLN 5 -5.257 12.753 5.907
38 HA GLN 5 HA GLN 5 -6.587 10.962 4.512
39 HB3 GLN 5 HB3 GLN 5 -6.026 13.825 3.621
40 HG3 GLN 5 HG3 GLN 5 -8.566 12.260 3.090
41 HE21 GLN 5 HE22 GLN 5 -7.736 13.207 0.251
42 HE22 GLN 5 HE21 GLN 5 -8.257 14.857 0.186
43 H THR 6 H THR 6 -3.451 12.353 3.610
44 HA THR 6 HA THR 6 -3.585 11.253 0.930
45 HB THR 6 HB THR 6 -2.525 13.503 1.595
46 HG1 THR 6 HG1 THR 6 -1.949 12.461 -0.394
47 HG21 THR 6 HG21 THR 6 -0.223 13.421 2.453
48 HG22 THR 6 HG22 THR 6 -1.284 12.619 3.635
49 HG23 THR 6 HG23 THR 6 -0.281 11.643 2.535
50 H VAL 7 H VAL 7 -1.603 10.744 3.924
51 HA VAL 7 HA VAL 7 -0.168 8.592 2.924
52 HB VAL 7 HB VAL 7 -1.024 8.968 5.792
53 HG11 VAL 7 HG11 VAL 7 1.512 7.877 4.526
54 HG12 VAL 7 HG12 VAL 7 1.225 8.069 6.271
55 HG13 VAL 7 HG13 VAL 7 0.237 6.929 5.328
56 HG21 VAL 7 HG21 VAL 7 0.826 10.624 4.101
57 HG22 VAL 7 HG22 VAL 7 -0.328 11.128 5.359
58 HG23 VAL 7 HG23 VAL 7 1.211 10.360 5.819
59 H LEU 8 H LEU 8 -3.423 8.805 4.413
60 HA LEU 8 HA LEU 8 -3.779 6.050 4.764
61 HB3 LEU 8 HB3 LEU 8 -5.148 8.358 5.368
62 HG LEU 8 HG LEU 8 -6.333 7.970 3.054
63 HD11 LEU 8 HD11 LEU 8 -7.820 6.283 2.820
64 HD12 LEU 8 HD12 LEU 8 -6.725 5.472 3.966
65 HD13 LEU 8 HD13 LEU 8 -8.220 6.239 4.553
66 HD21 LEU 8 HD21 LEU 8 -7.047 9.175 5.479
67 HD22 LEU 8 HD22 LEU 8 -7.750 9.470 3.871
68 HD23 LEU 8 HD23 LEU 8 -8.489 8.271 4.959
69 H HIS 9 H HIS 9 -3.995 8.198 1.949
70 HA HIS 9 HA HIS 9 -5.303 6.141 0.401
71 HB3 HIS 9 HB3 HIS 9 -4.368 8.364 -1.167
72 HD1 HIS 9 HD1 HIS 9 -7.418 6.914 0.640
73 HD2 HIS 9 HD2 HIS 9 -6.380 8.723 -3.000
74 HE1 HIS 9 HE1 HIS 9 -9.498 6.799 -0.835
75 HE2 HIS 9 HE2 HIS 9 -8.815 7.976 -3.037
76 H ILE 10 H ILE 10 -2.091 7.658 0.856
77 HA ILE 10 HA ILE 10 -0.894 6.453 -1.389
78 HB ILE 10 HB ILE 10 0.147 7.687 1.149
79 HG13 ILE 10 HG13 ILE 10 0.933 9.434 -0.433
80 HG21 ILE 10 HG21 ILE 10 2.402 7.528 0.281
81 HG22 ILE 10 HG22 ILE 10 1.704 5.900 0.459
82 HG23 ILE 10 HG23 ILE 10 1.822 6.647 -1.152
83 HD11 ILE 10 HD11 ILE 10 -0.950 8.552 -2.544
84 HD12 ILE 10 HD12 ILE 10 0.663 9.287 -2.696
85 HD13 ILE 10 HD13 ILE 10 0.505 7.539 -2.404
86 H ILE 11 H ILE 11 -0.755 5.615 2.148
87 HA ILE 11 HA ILE 11 0.639 3.244 1.787
88 HB ILE 11 HB ILE 11 -1.053 4.447 3.917
89 HG13 ILE 11 HG13 ILE 11 1.775 3.352 3.903
90 HG21 ILE 11 HG21 ILE 11 -0.267 1.534 3.805
91 HG22 ILE 11 HG22 ILE 11 -0.569 2.392 5.335
92 HG23 ILE 11 HG23 ILE 11 -1.867 2.246 4.125
93 HD11 ILE 11 HD11 ILE 11 0.624 6.148 3.527
94 HD12 ILE 11 HD12 ILE 11 2.306 5.858 4.031
95 HD13 ILE 11 HD13 ILE 11 1.738 5.273 2.449
96 H GLN 12 H GLN 12 -2.615 4.107 0.949
97 HA GLN 12 HA GLN 12 -3.755 1.568 1.242
98 HB3 GLN 12 HB3 GLN 12 -4.828 3.328 -0.905
99 HG3 GLN 12 HG3 GLN 12 -6.169 2.552 1.700
100 HE21 GLN 12 HE22 GLN 12 -8.295 2.856 1.622
101 HE22 GLN 12 HE21 GLN 12 -9.195 3.411 0.249
102 H VAL 13 H VAL 13 -2.437 3.350 -1.640
103 HA VAL 13 HA VAL 13 -2.831 1.281 -3.455
104 HB VAL 13 HB VAL 13 -0.816 3.533 -3.363
105 HG11 VAL 13 HG11 VAL 13 -0.115 1.668 -4.874
106 HG12 VAL 13 HG12 VAL 13 -1.639 1.878 -5.772
107 HG13 VAL 13 HG13 VAL 13 -0.445 3.197 -5.724
108 HG21 VAL 13 HG21 VAL 13 -3.157 4.268 -3.342
109 HG22 VAL 13 HG22 VAL 13 -2.373 4.665 -4.891
110 HG23 VAL 13 HG23 VAL 13 -3.488 3.281 -4.787
111 H VAL 14 H VAL 14 0.341 2.307 -1.997
112 HA VAL 14 HA VAL 14 1.901 0.297 -2.754
113 HB VAL 14 HB VAL 14 2.543 0.572 -0.061
114 HG11 VAL 14 HG11 VAL 14 3.514 2.667 -1.939
115 HG12 VAL 14 HG12 VAL 14 4.421 1.555 -0.885
116 HG13 VAL 14 HG13 VAL 14 3.759 0.973 -2.431
117 HG21 VAL 14 HG21 VAL 14 2.108 2.770 0.630
118 HG22 VAL 14 HG22 VAL 14 1.626 3.290 -1.002
119 HG23 VAL 14 HG23 VAL 14 0.558 2.226 -0.055
120 H ILE 15 H ILE 15 0.061 0.121 0.382
121 HA ILE 15 HA ILE 15 0.541 -2.548 0.834
122 HB ILE 15 HB ILE 15 -1.738 -0.745 1.631
123 HG13 ILE 15 HG13 ILE 15 0.259 0.040 2.587
124 HG21 ILE 15 HG21 ILE 15 -1.383 -3.021 3.374
125 HG22 ILE 15 HG22 ILE 15 -2.852 -2.421 2.568
126 HG23 ILE 15 HG23 ILE 15 -1.770 -3.550 1.720
127 HD11 ILE 15 HD11 ILE 15 -0.177 -0.153 4.869
128 HD12 ILE 15 HD12 ILE 15 -1.719 -0.744 4.203
129 HD13 ILE 15 HD13 ILE 15 -0.491 -1.903 4.766
130 H SER 16 H SER 16 -2.034 -0.952 -1.112
131 HA SER 16 HA SER 16 -3.460 -3.293 -1.583
132 HB3 SER 16 HB3 SER 16 -4.210 -1.871 -3.693
133 HG SER 16 HG SER 16 -5.726 -0.955 -2.406
134 H TYR 17 H TYR 17 -0.398 -2.141 -2.744
135 HA TYR 17 HA TYR 17 -0.536 -3.867 -5.107
136 HB3 TYR 17 HB3 TYR 17 1.323 -1.666 -4.027
137 HD1 TYR 17 HD1 TYR 17 3.174 -3.571 -4.259
138 HD2 TYR 17 HD2 TYR 17 1.123 -1.749 -7.542
139 HE1 TYR 17 HE1 TYR 17 5.060 -4.251 -5.823
140 HE2 TYR 17 HE2 TYR 17 3.015 -2.435 -9.095
141 HH TYR 17 HH TYR 17 5.978 -3.336 -8.036
142 H PHE 18 H PHE 18 0.768 -3.610 -1.859
143 HA PHE 18 HA PHE 18 2.893 -5.483 -2.378
144 HB3 PHE 18 HB3 PHE 18 2.953 -5.243 0.248
145 HD1 PHE 18 HD2 PHE 18 4.658 -4.560 -2.093
146 HD2 PHE 18 HD1 PHE 18 2.643 -2.059 0.682
147 HE1 PHE 18 HE2 PHE 18 6.349 -2.749 -2.496
148 HE2 PHE 18 HE1 PHE 18 4.334 -0.248 0.279
149 HZ PHE 18 HZ PHE 18 6.167 -0.615 -1.305
150 H LEU 19 H LEU 19 -0.219 -5.401 -0.507
151 HA LEU 19 HA LEU 19 -0.142 -7.914 0.543
152 HB3 LEU 19 HB3 LEU 19 -2.631 -6.645 -0.582
153 HG LEU 19 HG LEU 19 -3.843 -7.794 0.923
154 HD11 LEU 19 HD11 LEU 19 -2.749 -9.584 -0.229
155 HD12 LEU 19 HD12 LEU 19 -1.335 -9.487 0.847
156 HD13 LEU 19 HD13 LEU 19 -2.902 -10.038 1.486
157 HD21 LEU 19 HD21 LEU 19 -3.042 -6.662 2.866
158 HD22 LEU 19 HD22 LEU 19 -3.031 -8.408 3.216
159 HD23 LEU 19 HD23 LEU 19 -1.509 -7.567 2.837
160 H MET 20 H MET 20 -1.203 -6.904 -2.760
161 HA MET 20 HA MET 20 -2.093 -9.355 -3.589
162 HB3 MET 20 HB3 MET 20 -2.245 -7.079 -4.772
163 HG3 MET 20 HG3 MET 20 0.583 -7.275 -4.702
164 HE1 MET 20 HE1 MET 20 1.206 -6.312 -8.710
165 HE2 MET 20 HE2 MET 20 0.877 -5.444 -7.191
166 HE3 MET 20 HE3 MET 20 2.321 -6.474 -7.332
167 H LEU 21 H LEU 21 1.126 -8.373 -2.782
168 HA LEU 21 HA LEU 21 2.295 -10.481 -4.430
169 HB3 LEU 21 HB3 LEU 21 4.448 -9.464 -3.607
170 HG LEU 21 HG LEU 21 2.543 -7.700 -5.163
171 HD11 LEU 21 HD11 LEU 21 5.520 -7.311 -4.746
172 HD12 LEU 21 HD12 LEU 21 4.475 -6.367 -5.836
173 HD13 LEU 21 HD13 LEU 21 4.223 -6.292 -4.076
174 HD21 LEU 21 HD21 LEU 21 2.959 -9.138 -6.802
175 HD22 LEU 21 HD22 LEU 21 4.652 -8.588 -6.779
176 HD23 LEU 21 HD23 LEU 21 4.163 -10.005 -5.818
177 H ILE 22 H ILE 22 1.846 -9.398 -1.024
178 HA ILE 22 HA ILE 22 3.332 -11.430 0.157
179 HB ILE 22 HB ILE 22 0.874 -10.179 1.357
180 HG13 ILE 22 HG13 ILE 22 1.830 -8.245 0.542
181 HG21 ILE 22 HG21 ILE 22 2.019 -10.424 3.434
182 HG22 ILE 22 HG22 ILE 22 2.124 -11.982 2.577
183 HG23 ILE 22 HG23 ILE 22 3.531 -10.893 2.618
184 HD11 ILE 22 HD11 ILE 22 3.411 -8.805 3.095
185 HD12 ILE 22 HD12 ILE 22 3.153 -7.202 2.367
186 HD13 ILE 22 HD13 ILE 22 1.773 -8.115 3.019
187 H PHE 23 H PHE 23 -0.247 -11.227 -0.447
188 HA PHE 23 HA PHE 23 -1.034 -13.601 0.510
189 HB3 PHE 23 HB3 PHE 23 -1.791 -12.628 -2.294
190 HD1 PHE 23 HD1 PHE 23 -2.267 -15.136 -0.149
191 HD2 PHE 23 HD2 PHE 23 -4.546 -12.000 -1.875
192 HE1 PHE 23 HE1 PHE 23 -4.363 -16.480 0.177
193 HE2 PHE 23 HE2 PHE 23 -6.642 -13.342 -1.549
194 HZ PHE 23 HZ PHE 23 -6.525 -15.567 -0.526
195 H MET 24 H MET 24 0.414 -13.047 -2.772
196 HA MET 24 HA MET 24 0.208 -15.689 -3.573
197 HB3 MET 24 HB3 MET 24 2.559 -14.437 -4.724
198 HG3 MET 24 HG3 MET 24 0.577 -13.933 -6.533
199 HE1 MET 24 HE1 MET 24 3.545 -15.632 -8.070
200 HE2 MET 24 HE2 MET 24 2.696 -14.130 -7.629
201 HE3 MET 24 HE3 MET 24 3.773 -14.922 -6.453
202 H THR 25 H THR 25 3.183 -13.893 -2.469
203 HA THR 25 HA THR 25 4.883 -16.039 -2.352
204 HB THR 25 HB THR 25 6.178 -14.582 -0.827
205 HG1 THR 25 HG1 THR 25 3.507 -13.390 -0.653
206 HG21 THR 25 HG21 THR 25 6.514 -13.162 -2.585
207 HG22 THR 25 HG22 THR 25 4.923 -13.584 -3.261
208 HG23 THR 25 HG23 THR 25 5.065 -12.261 -2.079
209 H TYR 26 H TYR 26 2.617 -14.886 0.217
210 HA TYR 26 HA TYR 26 3.407 -16.978 1.989
211 HB3 TYR 26 HB3 TYR 26 1.191 -16.055 3.091
212 HD1 TYR 26 HD1 TYR 26 4.436 -15.041 1.941
213 HD2 TYR 26 HD2 TYR 26 1.147 -13.839 4.398
214 HE1 TYR 26 HE1 TYR 26 5.944 -13.405 3.172
215 HE2 TYR 26 HE2 TYR 26 2.665 -12.207 5.620
216 HH TYR 26 HH TYR 26 4.863 -10.935 4.933
217 H ASN 27 H ASN 27 1.846 -17.177 -0.915
218 HA ASN 27 HA ASN 27 -0.014 -19.183 0.085
219 HB3 ASN 27 HB3 ASN 27 -0.716 -18.867 -2.552
220 HD21 ASN 27 HD22 ASN 27 -0.680 -17.272 0.580
221 HD22 ASN 27 HD21 ASN 27 -2.386 -17.016 0.739
222 H LYS 28 H LYS 28 1.841 -18.440 -2.974
223 HA LYS 28 HA LYS 28 2.812 -19.813 -4.439
224 HB3 LYS 28 HB3 LYS 28 4.198 -21.208 -2.185
225 HG3 LYS 28 HG3 LYS 28 4.793 -20.126 -4.922
226 HD3 LYS 28 HD3 LYS 28 6.604 -19.853 -2.545
227 HE3 LYS 28 HE3 LYS 28 8.130 -20.119 -5.034
228 HZ1 LYS 28 HZ1 LYS 28 8.672 -21.926 -2.931
229 HZ2 LYS 28 HZ2 LYS 28 9.604 -20.724 -3.527
230 HZ3 LYS 28 HZ3 LYS 28 8.500 -20.404 -2.367
231 H LYS 29 H LYS 29 0.834 -20.883 -5.108
232 HA LYS 29 HA LYS 29 0.624 -23.602 -4.015
233 HB3 LYS 29 HB3 LYS 29 -1.350 -22.148 -3.622
234 HG3 LYS 29 HG3 LYS 29 -0.958 -21.011 -6.006
235 HD3 LYS 29 HD3 LYS 29 -2.608 -23.494 -6.577
236 HE3 LYS 29 HE3 LYS 29 -2.816 -20.748 -7.858
237 HZ1 LYS 29 HZ1 LYS 29 -3.571 -21.725 -9.796
238 HZ2 LYS 29 HZ2 LYS 29 -2.216 -22.575 -9.466
239 HZ3 LYS 29 HZ3 LYS 29 -3.683 -23.221 -9.154
Start of MODEL 6
1 H1 LYS 1 H1 LYS 1 -2.897 21.127 3.678
2 HA LYS 1 HA LYS 1 -3.429 19.643 5.887
3 HB3 LYS 1 HB3 LYS 1 -5.901 20.255 5.281
4 HG3 LYS 1 HG3 LYS 1 -5.327 22.721 5.739
5 HD3 LYS 1 HD3 LYS 1 -4.548 20.358 7.411
6 HE3 LYS 1 HE3 LYS 1 -4.128 22.881 8.853
7 HZ1 LYS 1 HZ1 LYS 1 -2.959 21.421 9.983
8 HZ2 LYS 1 HZ2 LYS 1 -3.260 20.260 8.874
9 HZ3 LYS 1 HZ3 LYS 1 -1.925 21.191 8.740
10 H HIS 2 H HIS 2 -5.124 17.954 6.287
11 HA HIS 2 HA HIS 2 -6.000 15.970 5.948
12 HB3 HIS 2 HB3 HIS 2 -6.008 15.568 3.140
13 HD1 HIS 2 HD1 HIS 2 -8.575 15.559 2.272
14 HD2 HIS 2 HD2 HIS 2 -8.002 16.170 6.383
15 HE1 HIS 2 HE1 HIS 2 -10.832 15.125 3.382
16 HE2 HIS 2 HE2 HIS 2 -10.404 15.462 5.911
17 H LEU 3 H LEU 3 -3.008 16.600 5.958
18 HA LEU 3 HA LEU 3 -1.481 15.091 4.366
19 HB3 LEU 3 HB3 LEU 3 0.127 15.078 6.044
20 HG LEU 3 HG LEU 3 0.240 17.199 6.876
21 HD11 LEU 3 HD11 LEU 3 -2.045 18.129 5.292
22 HD12 LEU 3 HD12 LEU 3 -0.306 18.478 5.127
23 HD13 LEU 3 HD13 LEU 3 -0.986 16.990 4.425
24 HD21 LEU 3 HD21 LEU 3 -2.167 18.352 7.421
25 HD22 LEU 3 HD22 LEU 3 -2.493 16.651 7.834
26 HD23 LEU 3 HD23 LEU 3 -1.146 17.514 8.613
27 H LEU 4 H LEU 4 -2.526 13.699 7.548
28 HA LEU 4 HA LEU 4 -1.987 11.112 6.993
29 HB3 LEU 4 HB3 LEU 4 -4.008 10.678 8.570
30 HG LEU 4 HG LEU 4 -2.851 11.444 10.550
31 HD11 LEU 4 HD11 LEU 4 -0.825 10.499 8.505
32 HD12 LEU 4 HD12 LEU 4 -0.739 10.310 10.273
33 HD13 LEU 4 HD13 LEU 4 -1.996 9.456 9.347
34 HD21 LEU 4 HD21 LEU 4 -0.930 12.968 8.778
35 HD22 LEU 4 HD22 LEU 4 -2.297 13.720 9.635
36 HD23 LEU 4 HD23 LEU 4 -0.993 12.933 10.556
37 H GLN 5 H GLN 5 -5.119 12.820 6.319
38 HA GLN 5 HA GLN 5 -6.531 10.796 5.307
39 HB3 GLN 5 HB3 GLN 5 -6.928 13.021 3.527
40 HG3 GLN 5 HG3 GLN 5 -8.640 11.494 4.673
41 HE21 GLN 5 HE22 GLN 5 -9.883 11.065 6.457
42 HE22 GLN 5 HE21 GLN 5 -9.452 11.534 8.068
43 H THR 6 H THR 6 -3.699 12.362 3.851
44 HA THR 6 HA THR 6 -4.136 11.196 1.257
45 HB THR 6 HB THR 6 -1.440 12.216 2.015
46 HG1 THR 6 HG1 THR 6 -3.985 13.650 2.277
47 HG21 THR 6 HG21 THR 6 -1.825 13.684 0.074
48 HG22 THR 6 HG22 THR 6 -2.302 12.028 -0.369
49 HG23 THR 6 HG23 THR 6 -3.547 13.235 0.037
50 H VAL 7 H VAL 7 -1.611 10.724 3.827
51 HA VAL 7 HA VAL 7 -0.329 8.610 2.749
52 HB VAL 7 HB VAL 7 -1.100 8.906 5.658
53 HG11 VAL 7 HG11 VAL 7 1.300 7.599 4.331
54 HG12 VAL 7 HG12 VAL 7 1.071 7.806 6.085
55 HG13 VAL 7 HG13 VAL 7 -0.038 6.765 5.159
56 HG21 VAL 7 HG21 VAL 7 1.218 10.109 5.684
57 HG22 VAL 7 HG22 VAL 7 0.899 10.374 3.953
58 HG23 VAL 7 HG23 VAL 7 -0.232 11.006 5.172
59 H LEU 8 H LEU 8 -3.625 8.723 4.013
60 HA LEU 8 HA LEU 8 -3.964 5.985 4.469
61 HB3 LEU 8 HB3 LEU 8 -5.429 8.259 4.830
62 HG LEU 8 HG LEU 8 -6.320 7.991 2.437
63 HD11 LEU 8 HD11 LEU 8 -7.501 6.193 1.787
64 HD12 LEU 8 HD12 LEU 8 -6.612 5.369 3.091
65 HD13 LEU 8 HD13 LEU 8 -8.259 5.978 3.383
66 HD21 LEU 8 HD21 LEU 8 -8.309 7.969 4.723
67 HD22 LEU 8 HD22 LEU 8 -7.372 9.380 4.177
68 HD23 LEU 8 HD23 LEU 8 -8.568 8.632 3.092
69 H HIS 9 H HIS 9 -4.487 8.047 1.543
70 HA HIS 9 HA HIS 9 -5.349 5.828 -0.002
71 HB3 HIS 9 HB3 HIS 9 -4.417 7.981 -1.640
72 HD1 HIS 9 HD1 HIS 9 -7.733 7.464 0.232
73 HD2 HIS 9 HD2 HIS 9 -6.142 7.315 -3.646
74 HE1 HIS 9 HE1 HIS 9 -9.693 6.977 -1.326
75 HE2 HIS 9 HE2 HIS 9 -8.664 6.952 -3.700
76 H ILE 10 H ILE 10 -2.254 7.529 0.602
77 HA ILE 10 HA ILE 10 -0.816 6.339 -1.477
78 HB ILE 10 HB ILE 10 0.077 7.419 1.197
79 HG13 ILE 10 HG13 ILE 10 0.475 9.488 0.077
80 HG21 ILE 10 HG21 ILE 10 2.301 7.551 0.299
81 HG22 ILE 10 HG22 ILE 10 1.727 5.873 0.153
82 HG23 ILE 10 HG23 ILE 10 1.753 6.932 -1.278
83 HD11 ILE 10 HD11 ILE 10 -0.647 9.302 -2.465
84 HD12 ILE 10 HD12 ILE 10 1.096 9.368 -2.110
85 HD13 ILE 10 HD13 ILE 10 0.293 7.797 -2.336
86 H ILE 11 H ILE 11 -0.783 5.509 2.066
87 HA ILE 11 HA ILE 11 0.615 3.148 1.760
88 HB ILE 11 HB ILE 11 -1.156 4.348 3.821
89 HG13 ILE 11 HG13 ILE 11 1.656 3.219 3.926
90 HG21 ILE 11 HG21 ILE 11 -2.022 2.229 4.133
91 HG22 ILE 11 HG22 ILE 11 -0.516 1.419 3.638
92 HG23 ILE 11 HG23 ILE 11 -0.617 2.220 5.224
93 HD11 ILE 11 HD11 ILE 11 1.787 5.117 2.494
94 HD12 ILE 11 HD12 ILE 11 0.539 5.997 3.410
95 HD13 ILE 11 HD13 ILE 11 2.157 5.761 4.111
96 H GLN 12 H GLN 12 -2.629 3.968 0.824
97 HA GLN 12 HA GLN 12 -3.733 1.407 1.061
98 HB3 GLN 12 HB3 GLN 12 -4.917 2.941 -1.108
99 HG3 GLN 12 HG3 GLN 12 -6.548 3.231 1.111
100 HE21 GLN 12 HE22 GLN 12 -7.222 0.325 1.310
101 HE22 GLN 12 HE21 GLN 12 -7.981 -0.097 -0.190
102 H VAL 13 H VAL 13 -2.389 3.238 -1.779
103 HA VAL 13 HA VAL 13 -2.682 1.171 -3.613
104 HB VAL 13 HB VAL 13 -0.715 3.462 -3.459
105 HG11 VAL 13 HG11 VAL 13 -0.337 1.331 -5.062
106 HG12 VAL 13 HG12 VAL 13 -1.454 2.267 -6.084
107 HG13 VAL 13 HG13 VAL 13 0.078 2.994 -5.541
108 HG21 VAL 13 HG21 VAL 13 -2.750 3.752 -5.466
109 HG22 VAL 13 HG22 VAL 13 -3.520 3.387 -3.903
110 HG23 VAL 13 HG23 VAL 13 -2.416 4.776 -4.048
111 H VAL 14 H VAL 14 0.429 2.261 -2.071
112 HA VAL 14 HA VAL 14 2.055 0.295 -2.797
113 HB VAL 14 HB VAL 14 2.626 0.557 -0.091
114 HG11 VAL 14 HG11 VAL 14 3.572 2.715 -1.905
115 HG12 VAL 14 HG12 VAL 14 4.491 1.604 -0.862
116 HG13 VAL 14 HG13 VAL 14 3.874 1.042 -2.433
117 HG21 VAL 14 HG21 VAL 14 2.110 2.732 0.622
118 HG22 VAL 14 HG22 VAL 14 1.638 3.259 -1.011
119 HG23 VAL 14 HG23 VAL 14 0.591 2.146 -0.098
120 H ILE 15 H ILE 15 0.139 0.047 0.288
121 HA ILE 15 HA ILE 15 0.668 -2.605 0.747
122 HB ILE 15 HB ILE 15 -1.690 -0.867 1.449
123 HG13 ILE 15 HG13 ILE 15 0.269 -0.067 2.492
124 HG21 ILE 15 HG21 ILE 15 -2.825 -2.592 2.255
125 HG22 ILE 15 HG22 ILE 15 -1.621 -3.693 1.541
126 HG23 ILE 15 HG23 ILE 15 -1.418 -3.115 3.213
127 HD11 ILE 15 HD11 ILE 15 -0.310 -0.232 4.742
128 HD12 ILE 15 HD12 ILE 15 -1.805 -0.843 3.995
129 HD13 ILE 15 HD13 ILE 15 -0.604 -1.985 4.644
130 H SER 16 H SER 16 -1.906 -1.096 -1.275
131 HA SER 16 HA SER 16 -3.225 -3.473 -1.819
132 HB3 SER 16 HB3 SER 16 -3.013 -0.895 -3.434
133 HG SER 16 HG SER 16 -4.034 -2.110 -4.905
134 H TYR 17 H TYR 17 -0.192 -2.132 -2.952
135 HA TYR 17 HA TYR 17 -0.165 -3.888 -5.283
136 HB3 TYR 17 HB3 TYR 17 1.595 -1.664 -4.092
137 HD1 TYR 17 HD1 TYR 17 3.494 -3.530 -4.242
138 HD2 TYR 17 HD2 TYR 17 1.581 -1.717 -7.612
139 HE1 TYR 17 HE1 TYR 17 5.472 -4.156 -5.711
140 HE2 TYR 17 HE2 TYR 17 3.566 -2.349 -9.070
141 HH TYR 17 HH TYR 17 5.916 -4.560 -8.053
142 H PHE 18 H PHE 18 0.975 -3.656 -1.975
143 HA PHE 18 HA PHE 18 3.147 -5.501 -2.427
144 HB3 PHE 18 HB3 PHE 18 2.918 -5.266 0.273
145 HD1 PHE 18 HD1 PHE 18 3.223 -2.718 -2.438
146 HD2 PHE 18 HD2 PHE 18 4.893 -4.389 1.087
147 HE1 PHE 18 HE1 PHE 18 5.243 -1.252 -2.700
148 HE2 PHE 18 HE2 PHE 18 6.913 -2.923 0.825
149 HZ PHE 18 HZ PHE 18 7.064 -1.371 -1.066
150 H LEU 19 H LEU 19 0.052 -5.436 -0.515
151 HA LEU 19 HA LEU 19 0.110 -7.964 0.469
152 HB3 LEU 19 HB3 LEU 19 -2.549 -7.388 -0.400
153 HG LEU 19 HG LEU 19 -1.479 -6.608 2.301
154 HD11 LEU 19 HD11 LEU 19 -3.645 -6.263 2.650
155 HD12 LEU 19 HD12 LEU 19 -4.077 -6.980 1.078
156 HD13 LEU 19 HD13 LEU 19 -3.886 -8.021 2.509
157 HD21 LEU 19 HD21 LEU 19 -0.650 -8.640 2.653
158 HD22 LEU 19 HD22 LEU 19 -2.316 -9.257 2.548
159 HD23 LEU 19 HD23 LEU 19 -1.280 -9.243 1.101
160 H MET 20 H MET 20 -0.600 -6.894 -2.867
161 HA MET 20 HA MET 20 -1.721 -9.206 -3.805
162 HB3 MET 20 HB3 MET 20 0.197 -7.249 -5.189
163 HG3 MET 20 HG3 MET 20 -1.811 -9.257 -6.315
164 HE1 MET 20 HE1 MET 20 0.987 -8.332 -8.362
165 HE2 MET 20 HE2 MET 20 0.524 -6.949 -9.382
166 HE3 MET 20 HE3 MET 20 1.054 -6.680 -7.703
167 H LEU 21 H LEU 21 1.490 -8.674 -2.631
168 HA LEU 21 HA LEU 21 2.402 -11.108 -4.002
169 HB3 LEU 21 HB3 LEU 21 3.546 -8.718 -4.216
170 HG LEU 21 HG LEU 21 4.062 -8.728 -1.678
171 HD11 LEU 21 HD11 LEU 21 5.301 -10.345 -0.801
172 HD12 LEU 21 HD12 LEU 21 5.228 -11.198 -2.362
173 HD13 LEU 21 HD13 LEU 21 6.578 -10.091 -2.016
174 HD21 LEU 21 HD21 LEU 21 5.240 -7.020 -2.486
175 HD22 LEU 21 HD22 LEU 21 6.631 -8.129 -2.539
176 HD23 LEU 21 HD23 LEU 21 5.627 -7.892 -3.989
177 H ILE 22 H ILE 22 1.843 -9.415 -0.931
178 HA ILE 22 HA ILE 22 3.239 -11.296 0.663
179 HB ILE 22 HB ILE 22 1.005 -9.464 1.518
180 HG13 ILE 22 HG13 ILE 22 2.336 -7.942 0.394
181 HG21 ILE 22 HG21 ILE 22 3.436 -10.498 3.002
182 HG22 ILE 22 HG22 ILE 22 2.147 -9.460 3.657
183 HG23 ILE 22 HG23 ILE 22 1.779 -11.130 3.161
184 HD11 ILE 22 HD11 ILE 22 2.209 -7.469 2.906
185 HD12 ILE 22 HD12 ILE 22 3.848 -8.151 3.031
186 HD13 ILE 22 HD13 ILE 22 3.564 -6.692 2.053
187 H PHE 23 H PHE 23 -0.260 -10.793 -0.153
188 HA PHE 23 HA PHE 23 -0.939 -13.254 1.168
189 HB3 PHE 23 HB3 PHE 23 -2.544 -11.436 -0.724
190 HD1 PHE 23 HD1 PHE 23 -2.498 -14.494 0.891
191 HD2 PHE 23 HD2 PHE 23 -4.966 -11.074 0.425
192 HE1 PHE 23 HE1 PHE 23 -4.513 -15.868 1.485
193 HE2 PHE 23 HE2 PHE 23 -6.981 -12.446 1.019
194 HZ PHE 23 HZ PHE 23 -6.731 -14.827 1.542
195 H MET 24 H MET 24 0.860 -12.982 -1.420
196 HA MET 24 HA MET 24 -0.614 -15.053 -2.848
197 HB3 MET 24 HB3 MET 24 0.739 -14.013 -4.906
198 HG3 MET 24 HG3 MET 24 -1.350 -12.047 -4.181
199 HE1 MET 24 HE1 MET 24 -1.568 -11.048 -7.166
200 HE2 MET 24 HE2 MET 24 -3.112 -11.932 -7.197
201 HE3 MET 24 HE3 MET 24 -2.515 -11.238 -5.671
202 H THR 25 H THR 25 2.660 -13.454 -2.708
203 HA THR 25 HA THR 25 4.129 -15.619 -3.570
204 HB THR 25 HB THR 25 4.966 -13.557 -1.471
205 HG1 THR 25 HG1 THR 25 4.572 -13.538 -4.376
206 HG21 THR 25 HG21 THR 25 6.355 -15.362 -3.427
207 HG22 THR 25 HG22 THR 25 6.942 -13.683 -3.361
208 HG23 THR 25 HG23 THR 25 6.953 -14.688 -1.891
209 H TYR 26 H TYR 26 2.755 -14.958 -0.343
210 HA TYR 26 HA TYR 26 4.193 -17.163 0.825
211 HB3 TYR 26 HB3 TYR 26 2.432 -16.475 2.694
212 HD1 TYR 26 HD1 TYR 26 5.137 -15.147 0.693
213 HD2 TYR 26 HD2 TYR 26 2.921 -14.586 4.310
214 HE1 TYR 26 HE1 TYR 26 7.001 -13.686 1.617
215 HE2 TYR 26 HE2 TYR 26 4.793 -13.127 5.222
216 HH TYR 26 HH TYR 26 6.603 -11.674 4.193
217 H ASN 27 H ASN 27 1.910 -17.226 -1.468
218 HA ASN 27 HA ASN 27 -0.224 -18.582 -0.452
219 HB3 ASN 27 HB3 ASN 27 -0.190 -17.798 -2.773
220 HD21 ASN 27 HD22 ASN 27 0.327 -19.493 -4.953
221 HD22 ASN 27 HD21 ASN 27 2.021 -19.468 -5.314
222 H LYS 28 H LYS 28 3.043 -19.704 -1.491
223 HA LYS 28 HA LYS 28 4.006 -21.712 -1.492
224 HB3 LYS 28 HB3 LYS 28 2.742 -22.232 1.181
225 HG3 LYS 28 HG3 LYS 28 5.550 -22.398 -0.006
226 HD3 LYS 28 HD3 LYS 28 4.586 -22.353 2.813
227 HE3 LYS 28 HE3 LYS 28 6.897 -24.191 2.353
228 HZ1 LYS 28 HZ1 LYS 28 5.545 -25.307 4.162
229 HZ2 LYS 28 HZ2 LYS 28 6.259 -23.886 4.529
230 HZ3 LYS 28 HZ3 LYS 28 4.658 -23.937 4.210
231 H LYS 29 H LYS 29 2.731 -22.529 -3.299
232 HA LYS 29 HA LYS 29 0.412 -24.107 -2.653
233 HB3 LYS 29 HB3 LYS 29 0.562 -22.720 -4.707
234 HG3 LYS 29 HG3 LYS 29 3.080 -23.455 -5.052
235 HD3 LYS 29 HD3 LYS 29 2.081 -25.384 -7.062
236 HE3 LYS 29 HE3 LYS 29 4.297 -25.413 -4.957
237 HZ1 LYS 29 HZ1 LYS 29 3.794 -27.618 -5.503
238 HZ2 LYS 29 HZ2 LYS 29 3.597 -27.296 -7.094
239 HZ3 LYS 29 HZ3 LYS 29 5.086 -27.237 -6.426
Start of MODEL 7
1 H1 LYS 1 H1 LYS 1 -5.540 17.193 13.017
2 HA LYS 1 HA LYS 1 -5.300 18.270 10.293
3 HB3 LYS 1 HB3 LYS 1 -3.369 18.700 11.936
4 HG3 LYS 1 HG3 LYS 1 -2.553 15.879 11.199
5 HD3 LYS 1 HD3 LYS 1 -1.832 17.650 13.578
6 HE3 LYS 1 HE3 LYS 1 0.299 15.975 13.031
7 HZ1 LYS 1 HZ1 LYS 1 -0.154 15.573 15.130
8 HZ2 LYS 1 HZ2 LYS 1 -1.626 16.266 14.993
9 HZ3 LYS 1 HZ3 LYS 1 -1.452 14.663 14.739
10 H HIS 2 H HIS 2 -6.354 16.886 8.962
11 HA HIS 2 HA HIS 2 -6.172 14.045 9.608
12 HB3 HIS 2 HB3 HIS 2 -7.964 14.438 7.473
13 HD1 HIS 2 HD1 HIS 2 -7.978 11.952 8.735
14 HD2 HIS 2 HD2 HIS 2 -9.890 15.146 10.670
15 HE1 HIS 2 HE1 HIS 2 -9.555 10.910 10.449
16 HE2 HIS 2 HE2 HIS 2 -10.662 12.922 11.643
17 H LEU 3 H LEU 3 -4.032 15.831 8.350
18 HA LEU 3 HA LEU 3 -3.739 15.611 5.697
19 HB3 LEU 3 HB3 LEU 3 -1.290 15.374 6.145
20 HG LEU 3 HG LEU 3 -2.088 17.331 8.214
21 HD11 LEU 3 HD11 LEU 3 -0.664 18.809 6.768
22 HD12 LEU 3 HD12 LEU 3 0.156 17.365 7.411
23 HD13 LEU 3 HD13 LEU 3 -0.384 17.402 5.715
24 HD21 LEU 3 HD21 LEU 3 -4.079 17.450 6.831
25 HD22 LEU 3 HD22 LEU 3 -3.076 18.902 6.593
26 HD23 LEU 3 HD23 LEU 3 -3.082 17.613 5.365
27 H LEU 4 H LEU 4 -3.481 12.968 8.103
28 HA LEU 4 HA LEU 4 -2.302 11.000 6.723
29 HB3 LEU 4 HB3 LEU 4 -4.062 9.491 7.859
30 HG LEU 4 HG LEU 4 -3.196 9.803 10.085
31 HD11 LEU 4 HD11 LEU 4 -0.979 10.374 8.102
32 HD12 LEU 4 HD12 LEU 4 -0.832 9.570 9.683
33 HD13 LEU 4 HD13 LEU 4 -1.729 8.781 8.363
34 HD21 LEU 4 HD21 LEU 4 -1.917 11.694 10.805
35 HD22 LEU 4 HD22 LEU 4 -1.952 12.408 9.174
36 HD23 LEU 4 HD23 LEU 4 -3.451 12.287 10.126
37 H GLN 5 H GLN 5 -5.463 12.480 6.043
38 HA GLN 5 HA GLN 5 -6.737 10.709 4.572
39 HB3 GLN 5 HB3 GLN 5 -6.234 13.610 3.774
40 HG3 GLN 5 HG3 GLN 5 -8.825 12.205 3.228
41 HE21 GLN 5 HE22 GLN 5 -9.933 13.208 1.594
42 HE22 GLN 5 HE21 GLN 5 -9.474 14.729 0.905
43 H THR 6 H THR 6 -3.625 12.198 3.757
44 HA THR 6 HA THR 6 -3.705 11.191 1.037
45 HB THR 6 HB THR 6 -2.703 13.439 1.791
46 HG1 THR 6 HG1 THR 6 -1.009 11.358 0.597
47 HG21 THR 6 HG21 THR 6 -1.468 12.511 3.816
48 HG22 THR 6 HG22 THR 6 -0.428 11.599 2.695
49 HG23 THR 6 HG23 THR 6 -0.411 13.379 2.676
50 H VAL 7 H VAL 7 -1.741 10.621 4.032
51 HA VAL 7 HA VAL 7 -0.252 8.536 2.972
52 HB VAL 7 HB VAL 7 -1.139 8.790 5.843
53 HG11 VAL 7 HG11 VAL 7 1.174 7.968 6.280
54 HG12 VAL 7 HG12 VAL 7 0.168 6.808 5.381
55 HG13 VAL 7 HG13 VAL 7 1.398 7.768 4.525
56 HG21 VAL 7 HG21 VAL 7 0.669 10.558 4.228
57 HG22 VAL 7 HG22 VAL 7 -0.494 10.979 5.508
58 HG23 VAL 7 HG23 VAL 7 1.066 10.234 5.932
59 H LEU 8 H LEU 8 -3.521 8.627 4.447
60 HA LEU 8 HA LEU 8 -3.820 5.855 4.694
61 HB3 LEU 8 HB3 LEU 8 -5.249 8.123 5.347
62 HG LEU 8 HG LEU 8 -6.423 7.686 3.016
63 HD11 LEU 8 HD11 LEU 8 -8.282 5.963 4.557
64 HD12 LEU 8 HD12 LEU 8 -7.884 5.974 2.821
65 HD13 LEU 8 HD13 LEU 8 -6.779 5.200 3.983
66 HD21 LEU 8 HD21 LEU 8 -7.822 9.204 3.827
67 HD22 LEU 8 HD22 LEU 8 -8.585 8.002 4.894
68 HD23 LEU 8 HD23 LEU 8 -7.152 8.900 5.448
69 H HIS 9 H HIS 9 -4.009 8.081 1.951
70 HA HIS 9 HA HIS 9 -5.277 6.054 0.321
71 HB3 HIS 9 HB3 HIS 9 -4.464 8.263 -1.251
72 HD1 HIS 9 HD1 HIS 9 -7.540 8.199 1.013
73 HD2 HIS 9 HD2 HIS 9 -6.468 7.484 -2.979
74 HE1 HIS 9 HE1 HIS 9 -9.722 7.837 -0.259
75 HE2 HIS 9 HE2 HIS 9 -9.003 7.457 -2.715
76 H ILE 10 H ILE 10 -2.108 7.624 0.870
77 HA ILE 10 HA ILE 10 -0.864 6.523 -1.408
78 HB ILE 10 HB ILE 10 0.160 7.679 1.178
79 HG13 ILE 10 HG13 ILE 10 -0.945 9.272 -0.278
80 HG21 ILE 10 HG21 ILE 10 1.920 6.263 0.627
81 HG22 ILE 10 HG22 ILE 10 1.680 6.474 -1.125
82 HG23 ILE 10 HG23 ILE 10 2.369 7.798 -0.155
83 HD11 ILE 10 HD11 ILE 10 2.007 9.665 -0.831
84 HD12 ILE 10 HD12 ILE 10 0.780 10.876 -0.390
85 HD13 ILE 10 HD13 ILE 10 1.392 9.741 0.837
86 H ILE 11 H ILE 11 -0.752 5.593 2.106
87 HA ILE 11 HA ILE 11 0.714 3.265 1.681
88 HB ILE 11 HB ILE 11 -0.991 4.377 3.853
89 HG13 ILE 11 HG13 ILE 11 1.874 3.384 3.765
90 HG21 ILE 11 HG21 ILE 11 0.037 1.525 3.836
91 HG22 ILE 11 HG22 ILE 11 -0.642 2.382 5.241
92 HG23 ILE 11 HG23 ILE 11 -1.668 2.039 3.827
93 HD11 ILE 11 HD11 ILE 11 1.754 5.361 2.402
94 HD12 ILE 11 HD12 ILE 11 0.603 6.140 3.514
95 HD13 ILE 11 HD13 ILE 11 2.298 5.909 4.005
96 H GLN 12 H GLN 12 -2.533 4.083 0.831
97 HA GLN 12 HA GLN 12 -3.654 1.531 1.108
98 HB3 GLN 12 HB3 GLN 12 -4.785 3.194 -1.051
99 HG3 GLN 12 HG3 GLN 12 -5.769 2.240 1.679
100 HE21 GLN 12 HE22 GLN 12 -8.260 1.894 1.345
101 HE22 GLN 12 HE21 GLN 12 -9.136 3.295 0.821
102 H VAL 13 H VAL 13 -2.377 3.344 -1.778
103 HA VAL 13 HA VAL 13 -2.717 1.273 -3.594
104 HB VAL 13 HB VAL 13 -0.717 3.538 -3.492
105 HG11 VAL 13 HG11 VAL 13 -1.016 1.335 -5.382
106 HG12 VAL 13 HG12 VAL 13 -1.214 2.922 -6.164
107 HG13 VAL 13 HG13 VAL 13 0.269 2.560 -5.248
108 HG21 VAL 13 HG21 VAL 13 -2.831 4.532 -3.521
109 HG22 VAL 13 HG22 VAL 13 -2.394 4.457 -5.246
110 HG23 VAL 13 HG23 VAL 13 -3.523 3.264 -4.560
111 H VAL 14 H VAL 14 0.437 2.337 -2.126
112 HA VAL 14 HA VAL 14 2.029 0.353 -2.879
113 HB VAL 14 HB VAL 14 2.636 0.622 -0.172
114 HG11 VAL 14 HG11 VAL 14 3.949 0.954 -2.442
115 HG12 VAL 14 HG12 VAL 14 3.578 2.670 -2.150
116 HG13 VAL 14 HG13 VAL 14 4.497 1.740 -0.943
117 HG21 VAL 14 HG21 VAL 14 1.712 3.333 -1.130
118 HG22 VAL 14 HG22 VAL 14 0.643 2.264 -0.190
119 HG23 VAL 14 HG23 VAL 14 2.183 2.822 0.508
120 H ILE 15 H ILE 15 0.172 0.129 0.245
121 HA ILE 15 HA ILE 15 0.684 -2.530 0.693
122 HB ILE 15 HB ILE 15 -1.624 -0.756 1.459
123 HG13 ILE 15 HG13 ILE 15 0.344 0.013 2.480
124 HG21 ILE 15 HG21 ILE 15 -1.055 -3.579 2.404
125 HG22 ILE 15 HG22 ILE 15 -2.222 -2.457 3.143
126 HG23 ILE 15 HG23 ILE 15 -2.470 -3.027 1.475
127 HD11 ILE 15 HD11 ILE 15 0.059 -0.497 4.838
128 HD12 ILE 15 HD12 ILE 15 -1.555 -0.492 4.089
129 HD13 ILE 15 HD13 ILE 15 -0.750 -2.036 4.458
130 H SER 16 H SER 16 -1.923 -0.986 -1.260
131 HA SER 16 HA SER 16 -3.281 -3.350 -1.771
132 HB3 SER 16 HB3 SER 16 -4.039 -1.950 -3.883
133 HG SER 16 HG SER 16 -5.125 -2.144 -1.680
134 H TYR 17 H TYR 17 -0.242 -2.092 -2.926
135 HA TYR 17 HA TYR 17 -0.306 -3.832 -5.279
136 HB3 TYR 17 HB3 TYR 17 1.493 -1.598 -4.162
137 HD1 TYR 17 HD1 TYR 17 3.385 -3.465 -4.363
138 HD2 TYR 17 HD2 TYR 17 1.358 -1.678 -7.680
139 HE1 TYR 17 HE1 TYR 17 5.313 -4.103 -5.893
140 HE2 TYR 17 HE2 TYR 17 3.292 -2.322 -9.199
141 HH TYR 17 HH TYR 17 5.541 -4.569 -8.398
142 H PHE 18 H PHE 18 0.929 -3.579 -2.008
143 HA PHE 18 HA PHE 18 3.090 -5.425 -2.513
144 HB3 PHE 18 HB3 PHE 18 3.111 -5.165 0.125
145 HD1 PHE 18 HD2 PHE 18 5.006 -4.657 -1.996
146 HD2 PHE 18 HD1 PHE 18 2.746 -1.883 0.287
147 HE1 PHE 18 HE2 PHE 18 6.751 -2.898 -2.405
148 HE2 PHE 18 HE1 PHE 18 4.491 -0.126 -0.121
149 HZ PHE 18 HZ PHE 18 6.472 -0.654 -1.463
150 H LEU 19 H LEU 19 -0.001 -5.345 -0.604
151 HA LEU 19 HA LEU 19 0.090 -7.850 0.451
152 HB3 LEU 19 HB3 LEU 19 -2.396 -6.552 -0.661
153 HG LEU 19 HG LEU 19 -3.132 -8.524 0.319
154 HD11 LEU 19 HD11 LEU 19 -2.220 -9.309 2.580
155 HD12 LEU 19 HD12 LEU 19 -1.181 -9.519 1.150
156 HD13 LEU 19 HD13 LEU 19 -0.872 -8.184 2.286
157 HD21 LEU 19 HD21 LEU 19 -3.552 -7.584 2.902
158 HD22 LEU 19 HD22 LEU 19 -3.384 -6.110 1.920
159 HD23 LEU 19 HD23 LEU 19 -4.602 -7.333 1.488
160 H MET 20 H MET 20 -0.824 -6.855 -2.883
161 HA MET 20 HA MET 20 -1.824 -9.257 -3.726
162 HB3 MET 20 HB3 MET 20 -0.199 -7.099 -5.179
163 HG3 MET 20 HG3 MET 20 -1.895 -9.362 -6.345
164 HE1 MET 20 HE1 MET 20 -3.358 -8.809 -7.785
165 HE2 MET 20 HE2 MET 20 -3.321 -7.629 -9.117
166 HE3 MET 20 HE3 MET 20 -2.409 -9.151 -9.252
167 H LEU 21 H LEU 21 1.406 -8.472 -2.761
168 HA LEU 21 HA LEU 21 2.427 -10.825 -4.190
169 HB3 LEU 21 HB3 LEU 21 3.391 -8.225 -4.097
170 HG LEU 21 HG LEU 21 4.393 -8.683 -1.847
171 HD11 LEU 21 HD11 LEU 21 5.127 -11.149 -3.105
172 HD12 LEU 21 HD12 LEU 21 6.602 -10.291 -2.598
173 HD13 LEU 21 HD13 LEU 21 5.325 -10.645 -1.409
174 HD21 LEU 21 HD21 LEU 21 6.794 -8.468 -3.515
175 HD22 LEU 21 HD22 LEU 21 5.464 -7.404 -4.032
176 HD23 LEU 21 HD23 LEU 21 6.080 -7.312 -2.364
177 H ILE 22 H ILE 22 1.759 -9.302 -1.072
178 HA ILE 22 HA ILE 22 3.404 -10.943 0.496
179 HB ILE 22 HB ILE 22 0.813 -9.580 1.238
180 HG13 ILE 22 HG13 ILE 22 1.840 -7.579 1.315
181 HG21 ILE 22 HG21 ILE 22 3.172 -10.371 2.966
182 HG22 ILE 22 HG22 ILE 22 1.664 -9.590 3.499
183 HG23 ILE 22 HG23 ILE 22 1.629 -11.254 2.866
184 HD11 ILE 22 HD11 ILE 22 4.413 -9.060 2.024
185 HD12 ILE 22 HD12 ILE 22 4.283 -7.291 1.865
186 HD13 ILE 22 HD13 ILE 22 3.374 -8.140 3.138
187 H PHE 23 H PHE 23 -0.207 -11.091 0.560
188 HA PHE 23 HA PHE 23 -0.413 -13.605 1.522
189 HB3 PHE 23 HB3 PHE 23 -2.152 -12.448 -0.727
190 HD1 PHE 23 HD1 PHE 23 -1.640 -15.195 1.203
191 HD2 PHE 23 HD2 PHE 23 -4.685 -12.345 0.421
192 HE1 PHE 23 HE1 PHE 23 -3.379 -16.854 1.929
193 HE2 PHE 23 HE2 PHE 23 -6.424 -14.003 1.146
194 HZ PHE 23 HZ PHE 23 -5.750 -16.238 1.891
195 H MET 24 H MET 24 -0.492 -12.708 -2.005
196 HA MET 24 HA MET 24 -0.794 -15.104 -3.101
197 HB3 MET 24 HB3 MET 24 1.340 -13.873 -4.574
198 HG3 MET 24 HG3 MET 24 -1.056 -12.730 -5.501
199 HE1 MET 24 HE1 MET 24 -0.345 -16.974 -6.343
200 HE2 MET 24 HE2 MET 24 -1.662 -16.079 -5.549
201 HE3 MET 24 HE3 MET 24 -1.662 -16.279 -7.317
202 H THR 25 H THR 25 2.576 -13.771 -2.873
203 HA THR 25 HA THR 25 3.849 -16.195 -3.206
204 HB THR 25 HB THR 25 4.530 -13.508 -2.891
205 HG1 THR 25 HG1 THR 25 5.532 -15.444 -4.037
206 HG21 THR 25 HG21 THR 25 6.374 -13.630 -1.154
207 HG22 THR 25 HG22 THR 25 4.746 -13.663 -0.436
208 HG23 THR 25 HG23 THR 25 5.681 -15.169 -0.588
209 H TYR 26 H TYR 26 2.270 -14.864 -0.339
210 HA TYR 26 HA TYR 26 3.560 -16.751 1.416
211 HB3 TYR 26 HB3 TYR 26 1.633 -15.699 2.908
212 HD1 TYR 26 HD1 TYR 26 4.605 -14.940 1.076
213 HD2 TYR 26 HD2 TYR 26 1.887 -13.344 3.969
214 HE1 TYR 26 HE1 TYR 26 6.374 -13.278 1.833
215 HE2 TYR 26 HE2 TYR 26 3.665 -11.687 4.716
216 HH TYR 26 HH TYR 26 6.347 -10.995 2.923
217 H ASN 27 H ASN 27 1.543 -17.345 -1.035
218 HA ASN 27 HA ASN 27 -0.712 -18.463 0.005
219 HB3 ASN 27 HB3 ASN 27 -0.031 -20.178 -2.104
220 HD21 ASN 27 HD22 ASN 27 -0.606 -16.703 -1.581
221 HD22 ASN 27 HD21 ASN 27 -2.110 -16.597 -2.434
222 H LYS 28 H LYS 28 2.521 -19.980 -0.723
223 HA LYS 28 HA LYS 28 3.322 -22.008 -0.221
224 HB3 LYS 28 HB3 LYS 28 3.986 -22.102 1.985
225 HG3 LYS 28 HG3 LYS 28 2.899 -19.331 2.318
226 HD3 LYS 28 HD3 LYS 28 5.816 -19.903 2.069
227 HE3 LYS 28 HE3 LYS 28 4.115 -18.601 4.252
228 HZ1 LYS 28 HZ1 LYS 28 6.024 -18.279 5.279
229 HZ2 LYS 28 HZ2 LYS 28 6.716 -19.369 4.278
230 HZ3 LYS 28 HZ3 LYS 28 6.794 -17.776 3.929
231 H LYS 29 H LYS 29 1.699 -23.159 -1.524
232 HA LYS 29 HA LYS 29 0.104 -24.660 -1.847
233 HB3 LYS 29 HB3 LYS 29 -0.015 -26.469 -0.026
234 HG3 LYS 29 HG3 LYS 29 1.966 -25.813 -1.979
235 HD3 LYS 29 HD3 LYS 29 3.704 -27.372 -0.468
236 HE3 LYS 29 HE3 LYS 29 3.626 -24.706 -1.613
237 HZ1 LYS 29 HZ1 LYS 29 5.316 -23.803 -0.103
238 HZ2 LYS 29 HZ2 LYS 29 3.839 -23.900 0.587
239 HZ3 LYS 29 HZ3 LYS 29 4.991 -24.990 0.971
Start of MODEL 8
1 H1 LYS 1 H1 LYS 1 -3.908 20.399 9.368
2 HA LYS 1 HA LYS 1 -2.764 18.138 10.483
3 HB3 LYS 1 HB3 LYS 1 -4.011 19.861 11.726
4 HG3 LYS 1 HG3 LYS 1 -6.585 18.512 10.880
5 HD3 LYS 1 HD3 LYS 1 -5.912 20.489 12.747
6 HE3 LYS 1 HE3 LYS 1 -7.011 21.735 10.187
7 HZ1 LYS 1 HZ1 LYS 1 -8.208 22.310 12.306
8 HZ2 LYS 1 HZ2 LYS 1 -6.833 23.039 12.802
9 HZ3 LYS 1 HZ3 LYS 1 -7.597 23.566 11.458
10 H HIS 2 H HIS 2 -3.961 16.036 10.993
11 HA HIS 2 HA HIS 2 -4.722 14.120 10.235
12 HB3 HIS 2 HB3 HIS 2 -6.855 14.785 8.519
13 HD1 HIS 2 HD1 HIS 2 -9.229 14.412 9.897
14 HD2 HIS 2 HD2 HIS 2 -5.668 13.344 11.840
15 HE1 HIS 2 HE1 HIS 2 -9.895 12.850 11.802
16 HE2 HIS 2 HE2 HIS 2 -7.660 12.184 12.926
17 H LEU 3 H LEU 3 -2.705 15.747 8.614
18 HA LEU 3 HA LEU 3 -2.980 15.614 5.950
19 HB3 LEU 3 HB3 LEU 3 -0.478 14.969 5.989
20 HG LEU 3 HG LEU 3 0.076 17.162 7.363
21 HD11 LEU 3 HD11 LEU 3 -1.302 17.077 4.669
22 HD12 LEU 3 HD12 LEU 3 -0.445 18.497 5.316
23 HD13 LEU 3 HD13 LEU 3 0.443 16.986 5.004
24 HD21 LEU 3 HD21 LEU 3 -1.883 18.759 7.159
25 HD22 LEU 3 HD22 LEU 3 -2.914 17.321 6.960
26 HD23 LEU 3 HD23 LEU 3 -1.980 17.546 8.458
27 H LEU 4 H LEU 4 -2.640 12.881 8.211
28 HA LEU 4 HA LEU 4 -1.901 10.856 6.589
29 HB3 LEU 4 HB3 LEU 4 -3.552 9.480 8.011
30 HG LEU 4 HG LEU 4 -2.276 9.664 10.061
31 HD11 LEU 4 HD11 LEU 4 -0.439 9.991 7.674
32 HD12 LEU 4 HD12 LEU 4 -0.060 9.190 9.218
33 HD13 LEU 4 HD13 LEU 4 -1.280 8.490 8.128
34 HD21 LEU 4 HD21 LEU 4 -0.859 12.082 8.931
35 HD22 LEU 4 HD22 LEU 4 -2.241 12.195 10.047
36 HD23 LEU 4 HD23 LEU 4 -0.742 11.390 10.566
37 H GLN 5 H GLN 5 -4.996 12.626 6.595
38 HA GLN 5 HA GLN 5 -6.684 11.053 5.345
39 HB3 GLN 5 HB3 GLN 5 -6.259 13.792 4.139
40 HG3 GLN 5 HG3 GLN 5 -8.263 12.462 3.501
41 HE21 GLN 5 HE22 GLN 5 -9.584 10.894 4.001
42 HE22 GLN 5 HE21 GLN 5 -10.100 10.419 5.585
43 H THR 6 H THR 6 -3.667 12.315 3.962
44 HA THR 6 HA THR 6 -4.372 11.261 1.329
45 HB THR 6 HB THR 6 -3.286 13.590 1.832
46 HG1 THR 6 HG1 THR 6 -1.963 11.595 0.133
47 HG21 THR 6 HG21 THR 6 -0.842 11.748 2.001
48 HG22 THR 6 HG22 THR 6 -0.805 13.524 1.892
49 HG23 THR 6 HG23 THR 6 -1.460 12.736 3.346
50 H VAL 7 H VAL 7 -1.816 10.897 3.869
51 HA VAL 7 HA VAL 7 -0.362 8.926 2.664
52 HB VAL 7 HB VAL 7 -1.039 9.048 5.604
53 HG11 VAL 7 HG11 VAL 7 0.298 7.172 5.310
54 HG12 VAL 7 HG12 VAL 7 1.223 7.907 3.980
55 HG13 VAL 7 HG13 VAL 7 1.502 8.436 5.656
56 HG21 VAL 7 HG21 VAL 7 -0.485 11.264 5.244
57 HG22 VAL 7 HG22 VAL 7 1.114 10.556 5.576
58 HG23 VAL 7 HG23 VAL 7 0.617 10.885 3.898
59 H LEU 8 H LEU 8 -3.462 8.677 4.471
60 HA LEU 8 HA LEU 8 -3.609 5.954 4.726
61 HB3 LEU 8 HB3 LEU 8 -6.006 6.256 4.850
62 HG LEU 8 HG LEU 8 -4.278 8.287 6.186
63 HD11 LEU 8 HD11 LEU 8 -7.045 8.564 7.043
64 HD12 LEU 8 HD12 LEU 8 -5.835 9.808 6.646
65 HD13 LEU 8 HD13 LEU 8 -6.811 9.071 5.353
66 HD21 LEU 8 HD21 LEU 8 -4.654 5.921 6.992
67 HD22 LEU 8 HD22 LEU 8 -4.974 7.210 8.179
68 HD23 LEU 8 HD23 LEU 8 -6.329 6.400 7.357
69 H HIS 9 H HIS 9 -4.575 8.013 1.907
70 HA HIS 9 HA HIS 9 -5.399 5.800 0.372
71 HB3 HIS 9 HB3 HIS 9 -4.488 8.369 -0.873
72 HD1 HIS 9 HD1 HIS 9 -4.740 7.097 -3.152
73 HD2 HIS 9 HD2 HIS 9 -8.213 7.170 -0.803
74 HE1 HIS 9 HE1 HIS 9 -6.647 6.349 -4.673
75 HE2 HIS 9 HE2 HIS 9 -8.746 6.362 -3.159
76 H ILE 10 H ILE 10 -2.309 7.537 0.848
77 HA ILE 10 HA ILE 10 -0.968 6.440 -1.346
78 HB ILE 10 HB ILE 10 0.013 7.494 1.306
79 HG13 ILE 10 HG13 ILE 10 0.624 9.476 -0.148
80 HG21 ILE 10 HG21 ILE 10 1.918 7.600 -0.889
81 HG22 ILE 10 HG22 ILE 10 2.121 7.015 0.780
82 HG23 ILE 10 HG23 ILE 10 1.471 5.929 -0.471
83 HD11 ILE 10 HD11 ILE 10 0.230 8.059 -2.314
84 HD12 ILE 10 HD12 ILE 10 -1.495 8.394 -2.029
85 HD13 ILE 10 HD13 ILE 10 -0.357 9.739 -2.286
86 H ILE 11 H ILE 11 -0.828 5.479 2.161
87 HA ILE 11 HA ILE 11 0.630 3.165 1.722
88 HB ILE 11 HB ILE 11 -1.103 4.241 3.887
89 HG13 ILE 11 HG13 ILE 11 1.754 3.224 3.848
90 HG21 ILE 11 HG21 ILE 11 -0.094 1.384 3.836
91 HG22 ILE 11 HG22 ILE 11 -0.768 2.223 5.253
92 HG23 ILE 11 HG23 ILE 11 -1.794 1.912 3.832
93 HD11 ILE 11 HD11 ILE 11 1.539 5.211 2.423
94 HD12 ILE 11 HD12 ILE 11 0.583 6.039 3.677
95 HD13 ILE 11 HD13 ILE 11 2.301 5.673 3.964
96 H GLN 12 H GLN 12 -2.642 3.955 0.892
97 HA GLN 12 HA GLN 12 -3.711 1.377 1.097
98 HB3 GLN 12 HB3 GLN 12 -4.903 3.030 -1.018
99 HG3 GLN 12 HG3 GLN 12 -6.013 2.497 1.758
100 HE21 GLN 12 HE22 GLN 12 -7.396 0.994 -0.939
101 HE22 GLN 12 HE21 GLN 12 -8.674 2.113 -1.279
102 H VAL 13 H VAL 13 -2.478 3.287 -1.743
103 HA VAL 13 HA VAL 13 -2.779 1.256 -3.611
104 HB VAL 13 HB VAL 13 -0.817 3.552 -3.459
105 HG11 VAL 13 HG11 VAL 13 -0.148 1.725 -5.055
106 HG12 VAL 13 HG12 VAL 13 -1.673 2.013 -5.929
107 HG13 VAL 13 HG13 VAL 13 -0.453 3.305 -5.818
108 HG21 VAL 13 HG21 VAL 13 -3.246 4.145 -3.367
109 HG22 VAL 13 HG22 VAL 13 -2.399 4.781 -4.798
110 HG23 VAL 13 HG23 VAL 13 -3.454 3.355 -4.948
111 H VAL 14 H VAL 14 0.357 2.347 -2.123
112 HA VAL 14 HA VAL 14 1.986 0.415 -2.927
113 HB VAL 14 HB VAL 14 2.605 0.625 -0.223
114 HG11 VAL 14 HG11 VAL 14 3.890 1.064 -2.489
115 HG12 VAL 14 HG12 VAL 14 3.468 2.760 -2.147
116 HG13 VAL 14 HG13 VAL 14 4.425 1.826 -0.971
117 HG21 VAL 14 HG21 VAL 14 2.097 2.787 0.533
118 HG22 VAL 14 HG22 VAL 14 1.596 3.338 -1.084
119 HG23 VAL 14 HG23 VAL 14 0.567 2.208 -0.170
120 H ILE 15 H ILE 15 0.146 0.075 0.196
121 HA ILE 15 HA ILE 15 0.712 -2.582 0.577
122 HB ILE 15 HB ILE 15 -1.634 -0.878 1.385
123 HG13 ILE 15 HG13 ILE 15 0.321 -0.091 2.420
124 HG21 ILE 15 HG21 ILE 15 -2.185 -2.634 3.034
125 HG22 ILE 15 HG22 ILE 15 -2.434 -3.161 1.353
126 HG23 ILE 15 HG23 ILE 15 -1.002 -3.711 2.256
127 HD11 ILE 15 HD11 ILE 15 0.016 -0.604 4.757
128 HD12 ILE 15 HD12 ILE 15 -1.593 -0.711 4.004
129 HD13 ILE 15 HD13 ILE 15 -0.686 -2.195 4.380
130 H SER 16 H SER 16 -1.933 -1.049 -1.335
131 HA SER 16 HA SER 16 -3.233 -3.434 -1.905
132 HB3 SER 16 HB3 SER 16 -3.120 -0.819 -3.472
133 HG SER 16 HG SER 16 -5.081 -1.518 -4.425
134 H TYR 17 H TYR 17 -0.231 -2.069 -3.030
135 HA TYR 17 HA TYR 17 -0.258 -3.743 -5.430
136 HB3 TYR 17 HB3 TYR 17 1.483 -1.490 -4.264
137 HD1 TYR 17 HD1 TYR 17 3.426 -3.296 -4.527
138 HD2 TYR 17 HD2 TYR 17 1.327 -1.478 -7.781
139 HE1 TYR 17 HE1 TYR 17 5.359 -3.837 -6.087
140 HE2 TYR 17 HE2 TYR 17 3.266 -2.026 -9.330
141 HH TYR 17 HH TYR 17 5.407 -4.214 -8.829
142 H PHE 18 H PHE 18 0.930 -3.589 -2.150
143 HA PHE 18 HA PHE 18 3.167 -5.331 -2.710
144 HB3 PHE 18 HB3 PHE 18 2.855 -5.167 0.043
145 HD1 PHE 18 HD1 PHE 18 3.323 -2.350 -2.377
146 HD2 PHE 18 HD2 PHE 18 5.044 -4.802 0.629
147 HE1 PHE 18 HE1 PHE 18 5.476 -1.073 -2.567
148 HE2 PHE 18 HE2 PHE 18 7.196 -3.525 0.440
149 HZ PHE 18 HZ PHE 18 7.387 -1.676 -1.157
150 H LEU 19 H LEU 19 0.085 -5.419 -0.784
151 HA LEU 19 HA LEU 19 0.234 -7.940 0.189
152 HB3 LEU 19 HB3 LEU 19 -2.431 -7.466 -0.754
153 HG LEU 19 HG LEU 19 -1.481 -6.707 1.996
154 HD11 LEU 19 HD11 LEU 19 -3.971 -8.233 1.274
155 HD12 LEU 19 HD12 LEU 19 -3.641 -7.206 2.690
156 HD13 LEU 19 HD13 LEU 19 -3.893 -6.464 1.091
157 HD21 LEU 19 HD21 LEU 19 -2.192 -9.401 2.156
158 HD22 LEU 19 HD22 LEU 19 -1.107 -9.300 0.749
159 HD23 LEU 19 HD23 LEU 19 -0.564 -8.703 2.335
160 H MET 20 H MET 20 -0.904 -6.945 -3.102
161 HA MET 20 HA MET 20 -1.702 -9.346 -4.021
162 HB3 MET 20 HB3 MET 20 -1.865 -7.253 -5.323
163 HG3 MET 20 HG3 MET 20 1.022 -7.167 -4.789
164 HE1 MET 20 HE1 MET 20 1.898 -8.786 -6.016
165 HE2 MET 20 HE2 MET 20 1.677 -9.124 -7.749
166 HE3 MET 20 HE3 MET 20 3.012 -8.078 -7.210
167 H LEU 21 H LEU 21 1.546 -8.380 -3.144
168 HA LEU 21 HA LEU 21 2.655 -10.676 -4.581
169 HB3 LEU 21 HB3 LEU 21 3.527 -8.130 -4.510
170 HG LEU 21 HG LEU 21 4.183 -8.569 -2.000
171 HD11 LEU 21 HD11 LEU 21 6.023 -9.814 -1.521
172 HD12 LEU 21 HD12 LEU 21 5.435 -10.731 -2.929
173 HD13 LEU 21 HD13 LEU 21 6.761 -9.557 -3.120
174 HD21 LEU 21 HD21 LEU 21 5.179 -6.917 -4.085
175 HD22 LEU 21 HD22 LEU 21 5.186 -6.621 -2.329
176 HD23 LEU 21 HD23 LEU 21 6.567 -7.438 -3.099
177 H ILE 22 H ILE 22 1.958 -9.302 -1.376
178 HA ILE 22 HA ILE 22 3.510 -11.258 0.009
179 HB ILE 22 HB ILE 22 1.326 -9.475 1.081
180 HG13 ILE 22 HG13 ILE 22 2.671 -7.889 0.084
181 HG21 ILE 22 HG21 ILE 22 3.777 -10.407 2.553
182 HG22 ILE 22 HG22 ILE 22 2.222 -9.827 3.194
183 HG23 ILE 22 HG23 ILE 22 2.330 -11.436 2.441
184 HD11 ILE 22 HD11 ILE 22 4.195 -8.445 2.670
185 HD12 ILE 22 HD12 ILE 22 4.087 -6.891 1.808
186 HD13 ILE 22 HD13 ILE 22 2.642 -7.578 2.588
187 H PHE 23 H PHE 23 -0.070 -10.640 -0.207
188 HA PHE 23 HA PHE 23 -1.004 -12.818 1.015
189 HB3 PHE 23 HB3 PHE 23 -1.829 -11.599 -1.688
190 HD1 PHE 23 HD1 PHE 23 -2.504 -14.221 0.648
191 HD2 PHE 23 HD2 PHE 23 -4.340 -11.569 -2.109
192 HE1 PHE 23 HE1 PHE 23 -4.524 -15.708 0.563
193 HE2 PHE 23 HE2 PHE 23 -6.360 -13.056 -2.193
194 HZ PHE 23 HZ PHE 23 -6.429 -15.108 -0.857
195 H MET 24 H MET 24 0.189 -12.701 -2.401
196 HA MET 24 HA MET 24 -0.508 -15.240 -3.112
197 HB3 MET 24 HB3 MET 24 1.816 -14.902 -4.504
198 HG3 MET 24 HG3 MET 24 -0.332 -14.804 -5.629
199 HE1 MET 24 HE1 MET 24 -3.121 -14.039 -3.582
200 HE2 MET 24 HE2 MET 24 -3.250 -13.941 -5.354
201 HE3 MET 24 HE3 MET 24 -2.136 -15.110 -4.606
202 H THR 25 H THR 25 2.451 -14.072 -1.402
203 HA THR 25 HA THR 25 3.533 -16.748 -1.277
204 HB THR 25 HB THR 25 5.317 -15.472 0.059
205 HG1 THR 25 HG1 THR 25 4.031 -13.105 -0.928
206 HG21 THR 25 HG21 THR 25 4.435 -14.566 -2.711
207 HG22 THR 25 HG22 THR 25 5.821 -13.793 -1.906
208 HG23 THR 25 HG23 THR 25 5.860 -15.536 -2.266
209 H TYR 26 H TYR 26 1.862 -14.426 0.892
210 HA TYR 26 HA TYR 26 2.148 -16.185 3.143
211 HB3 TYR 26 HB3 TYR 26 0.386 -14.372 3.964
212 HD1 TYR 26 HD1 TYR 26 3.730 -14.700 2.625
213 HD2 TYR 26 HD2 TYR 26 1.148 -12.131 4.870
214 HE1 TYR 26 HE1 TYR 26 5.750 -13.445 3.526
215 HE2 TYR 26 HE2 TYR 26 3.176 -10.885 5.764
216 HH TYR 26 HH TYR 26 6.357 -12.095 5.357
217 H ASN 27 H ASN 27 0.469 -16.646 0.388
218 HA ASN 27 HA ASN 27 -2.146 -16.920 1.058
219 HB3 ASN 27 HB3 ASN 27 -1.329 -19.188 -0.576
220 HD21 ASN 27 HD22 ASN 27 -1.935 -15.681 -0.820
221 HD22 ASN 27 HD21 ASN 27 -3.370 -15.774 -1.785
222 H LYS 28 H LYS 28 0.689 -19.007 1.738
223 HA LYS 28 HA LYS 28 -0.853 -21.223 2.649
224 HB3 LYS 28 HB3 LYS 28 1.981 -20.899 3.492
225 HG3 LYS 28 HG3 LYS 28 1.121 -23.157 1.785
226 HD3 LYS 28 HD3 LYS 28 1.804 -23.873 4.498
227 HE3 LYS 28 HE3 LYS 28 3.955 -23.955 2.458
228 HZ1 LYS 28 HZ1 LYS 28 3.433 -26.390 2.972
229 HZ2 LYS 28 HZ2 LYS 28 4.112 -25.473 4.140
230 HZ3 LYS 28 HZ3 LYS 28 2.514 -25.804 4.188
231 H LYS 29 H LYS 29 0.764 -18.377 4.135
232 HA LYS 29 HA LYS 29 0.874 -17.718 6.268
233 HB3 LYS 29 HB3 LYS 29 -1.329 -16.933 5.420
234 HG3 LYS 29 HG3 LYS 29 -3.235 -18.244 6.835
235 HD3 LYS 29 HD3 LYS 29 -2.766 -19.747 4.371
236 HE3 LYS 29 HE3 LYS 29 -4.934 -18.729 5.678
237 HZ1 LYS 29 HZ1 LYS 29 -3.922 -16.565 4.370
238 HZ2 LYS 29 HZ2 LYS 29 -5.168 -17.051 3.433
239 HZ3 LYS 29 HZ3 LYS 29 -5.419 -16.702 5.009
Start of MODEL 9
1 H1 LYS 1 H1 LYS 1 -6.276 19.925 11.223
2 HA LYS 1 HA LYS 1 -4.902 19.235 9.639
3 HB3 LYS 1 HB3 LYS 1 -2.659 18.109 10.843
4 HG3 LYS 1 HG3 LYS 1 -3.042 21.103 10.534
5 HD3 LYS 1 HD3 LYS 1 -0.814 19.130 10.456
6 HE3 LYS 1 HE3 LYS 1 -1.274 21.139 8.257
7 HZ1 LYS 1 HZ1 LYS 1 1.452 20.439 8.725
8 HZ2 LYS 1 HZ2 LYS 1 0.808 21.867 8.264
9 HZ3 LYS 1 HZ3 LYS 1 0.844 21.459 9.845
10 H HIS 2 H HIS 2 -5.610 17.571 8.426
11 HA HIS 2 HA HIS 2 -5.392 14.910 9.624
12 HB3 HIS 2 HB3 HIS 2 -7.535 14.857 7.788
13 HD1 HIS 2 HD1 HIS 2 -9.809 15.288 10.014
14 HD2 HIS 2 HD2 HIS 2 -6.264 13.091 10.461
15 HE1 HIS 2 HE1 HIS 2 -10.237 13.615 11.893
16 HE2 HIS 2 HE2 HIS 2 -8.042 12.257 12.084
17 H LEU 3 H LEU 3 -3.667 16.640 7.790
18 HA LEU 3 HA LEU 3 -3.781 16.051 5.180
19 HB3 LEU 3 HB3 LEU 3 -1.206 15.917 5.362
20 HG LEU 3 HG LEU 3 -1.141 18.358 6.383
21 HD11 LEU 3 HD11 LEU 3 -1.740 19.250 4.158
22 HD12 LEU 3 HD12 LEU 3 -0.664 17.836 4.068
23 HD13 LEU 3 HD13 LEU 3 -2.399 17.656 3.716
24 HD21 LEU 3 HD21 LEU 3 -3.358 19.494 5.895
25 HD22 LEU 3 HD22 LEU 3 -4.086 17.869 5.914
26 HD23 LEU 3 HD23 LEU 3 -3.281 18.500 7.370
27 H LEU 4 H LEU 4 -2.913 13.818 7.839
28 HA LEU 4 HA LEU 4 -1.772 11.758 6.558
29 HB3 LEU 4 HB3 LEU 4 -3.059 10.292 8.170
30 HG LEU 4 HG LEU 4 -1.929 10.952 10.090
31 HD11 LEU 4 HD11 LEU 4 -0.165 12.450 8.197
32 HD12 LEU 4 HD12 LEU 4 0.239 11.203 9.401
33 HD13 LEU 4 HD13 LEU 4 -0.530 10.740 7.864
34 HD21 LEU 4 HD21 LEU 4 -3.102 13.287 9.982
35 HD22 LEU 4 HD22 LEU 4 -1.579 13.086 10.881
36 HD23 LEU 4 HD23 LEU 4 -1.563 13.808 9.253
37 H GLN 5 H GLN 5 -5.130 12.886 6.224
38 HA GLN 5 HA GLN 5 -6.439 10.832 5.233
39 HB3 GLN 5 HB3 GLN 5 -6.426 13.468 3.721
40 HG3 GLN 5 HG3 GLN 5 -8.759 11.741 4.645
41 HE21 GLN 5 HE22 GLN 5 -10.214 11.941 2.406
42 HE22 GLN 5 HE21 GLN 5 -10.655 13.580 2.059
43 H THR 6 H THR 6 -3.651 12.413 3.713
44 HA THR 6 HA THR 6 -4.046 11.147 1.165
45 HB THR 6 HB THR 6 -2.921 13.399 1.582
46 HG1 THR 6 HG1 THR 6 -1.554 12.860 -0.157
47 HG21 THR 6 HG21 THR 6 -0.575 11.630 2.437
48 HG22 THR 6 HG22 THR 6 -0.585 13.405 2.300
49 HG23 THR 6 HG23 THR 6 -1.527 12.606 3.582
50 H VAL 7 H VAL 7 -1.711 10.710 3.905
51 HA VAL 7 HA VAL 7 -0.353 8.576 2.849
52 HB VAL 7 HB VAL 7 -1.103 8.946 5.753
53 HG11 VAL 7 HG11 VAL 7 0.062 6.856 5.283
54 HG12 VAL 7 HG12 VAL 7 1.340 7.738 4.410
55 HG13 VAL 7 HG13 VAL 7 1.134 7.973 6.163
56 HG21 VAL 7 HG21 VAL 7 -0.328 11.067 5.316
57 HG22 VAL 7 HG22 VAL 7 1.210 10.238 5.658
58 HG23 VAL 7 HG23 VAL 7 0.713 10.532 3.974
59 H LEU 8 H LEU 8 -3.588 8.726 4.350
60 HA LEU 8 HA LEU 8 -3.883 5.963 4.741
61 HB3 LEU 8 HB3 LEU 8 -5.303 8.266 5.305
62 HG LEU 8 HG LEU 8 -6.512 7.701 3.017
63 HD11 LEU 8 HD11 LEU 8 -8.360 6.083 4.670
64 HD12 LEU 8 HD12 LEU 8 -7.960 5.975 2.939
65 HD13 LEU 8 HD13 LEU 8 -6.859 5.278 4.152
66 HD21 LEU 8 HD21 LEU 8 -7.596 8.617 5.644
67 HD22 LEU 8 HD22 LEU 8 -7.401 9.497 4.110
68 HD23 LEU 8 HD23 LEU 8 -8.737 8.338 4.307
69 H HIS 9 H HIS 9 -4.182 8.095 1.915
70 HA HIS 9 HA HIS 9 -5.436 5.983 0.390
71 HB3 HIS 9 HB3 HIS 9 -4.540 8.340 -1.088
72 HD1 HIS 9 HD1 HIS 9 -5.888 5.907 -2.235
73 HD2 HIS 9 HD2 HIS 9 -8.050 9.110 -0.601
74 HE1 HIS 9 HE1 HIS 9 -8.221 5.790 -3.260
75 HE2 HIS 9 HE2 HIS 9 -9.521 7.750 -2.177
76 H ILE 10 H ILE 10 -2.272 7.567 0.864
77 HA ILE 10 HA ILE 10 -1.052 6.434 -1.414
78 HB ILE 10 HB ILE 10 0.028 7.601 1.149
79 HG13 ILE 10 HG13 ILE 10 -1.271 8.978 -0.651
80 HG21 ILE 10 HG21 ILE 10 2.049 7.717 -0.754
81 HG22 ILE 10 HG22 ILE 10 1.983 6.652 0.669
82 HG23 ILE 10 HG23 ILE 10 1.403 6.067 -0.908
83 HD11 ILE 10 HD11 ILE 10 1.302 9.556 0.775
84 HD12 ILE 10 HD12 ILE 10 0.787 10.726 -0.463
85 HD13 ILE 10 HD13 ILE 10 -0.279 10.360 0.914
86 H ILE 11 H ILE 11 -0.854 5.572 2.115
87 HA ILE 11 HA ILE 11 0.601 3.245 1.720
88 HB ILE 11 HB ILE 11 -1.098 4.387 3.877
89 HG13 ILE 11 HG13 ILE 11 1.754 3.360 3.819
90 HG21 ILE 11 HG21 ILE 11 -1.871 2.204 4.149
91 HG22 ILE 11 HG22 ILE 11 -0.312 1.486 3.680
92 HG23 ILE 11 HG23 ILE 11 -0.479 2.299 5.255
93 HD11 ILE 11 HD11 ILE 11 2.160 5.921 4.035
94 HD12 ILE 11 HD12 ILE 11 1.741 5.288 2.424
95 HD13 ILE 11 HD13 ILE 11 0.502 6.099 3.413
96 H GLN 12 H GLN 12 -2.691 4.020 0.936
97 HA GLN 12 HA GLN 12 -3.748 1.443 1.212
98 HB3 GLN 12 HB3 GLN 12 -5.008 3.041 -0.898
99 HG3 GLN 12 HG3 GLN 12 -5.887 2.377 1.951
100 HE21 GLN 12 HE22 GLN 12 -8.331 1.772 1.684
101 HE22 GLN 12 HE21 GLN 12 -9.308 2.964 0.894
102 H VAL 13 H VAL 13 -2.486 3.302 -1.643
103 HA VAL 13 HA VAL 13 -2.860 1.248 -3.491
104 HB VAL 13 HB VAL 13 -0.901 3.548 -3.404
105 HG11 VAL 13 HG11 VAL 13 -0.463 1.512 -5.010
106 HG12 VAL 13 HG12 VAL 13 -1.792 2.228 -5.953
107 HG13 VAL 13 HG13 VAL 13 -0.327 3.180 -5.614
108 HG21 VAL 13 HG21 VAL 13 -3.724 3.235 -4.421
109 HG22 VAL 13 HG22 VAL 13 -3.035 4.500 -3.375
110 HG23 VAL 13 HG23 VAL 13 -2.629 4.460 -5.107
111 H VAL 14 H VAL 14 0.296 2.356 -2.058
112 HA VAL 14 HA VAL 14 1.910 0.408 -2.866
113 HB VAL 14 HB VAL 14 2.581 0.667 -0.179
114 HG11 VAL 14 HG11 VAL 14 3.430 2.796 -2.095
115 HG12 VAL 14 HG12 VAL 14 4.401 1.787 -0.998
116 HG13 VAL 14 HG13 VAL 14 3.784 1.105 -2.521
117 HG21 VAL 14 HG21 VAL 14 2.083 2.838 0.552
118 HG22 VAL 14 HG22 VAL 14 1.561 3.367 -1.065
119 HG23 VAL 14 HG23 VAL 14 0.543 2.254 -0.121
120 H ILE 15 H ILE 15 0.102 0.132 0.282
121 HA ILE 15 HA ILE 15 0.679 -2.522 0.704
122 HB ILE 15 HB ILE 15 -1.658 -0.809 1.528
123 HG13 ILE 15 HG13 ILE 15 0.329 0.023 2.481
124 HG21 ILE 15 HG21 ILE 15 -1.245 -3.075 3.255
125 HG22 ILE 15 HG22 ILE 15 -2.721 -2.539 2.418
126 HG23 ILE 15 HG23 ILE 15 -1.574 -3.623 1.594
127 HD11 ILE 15 HD11 ILE 15 -0.117 -0.182 4.759
128 HD12 ILE 15 HD12 ILE 15 -1.639 -0.816 4.088
129 HD13 ILE 15 HD13 ILE 15 -0.381 -1.940 4.655
130 H SER 16 H SER 16 -1.969 -1.004 -1.209
131 HA SER 16 HA SER 16 -3.303 -3.392 -1.702
132 HB3 SER 16 HB3 SER 16 -4.093 -1.958 -3.806
133 HG SER 16 HG SER 16 -5.553 -0.841 -2.429
134 H TYR 17 H TYR 17 -0.306 -2.082 -2.887
135 HA TYR 17 HA TYR 17 -0.389 -3.780 -5.270
136 HB3 TYR 17 HB3 TYR 17 1.402 -1.543 -4.146
137 HD1 TYR 17 HD1 TYR 17 3.312 -3.383 -4.416
138 HD2 TYR 17 HD2 TYR 17 1.203 -1.562 -7.662
139 HE1 TYR 17 HE1 TYR 17 5.218 -3.970 -5.993
140 HE2 TYR 17 HE2 TYR 17 3.115 -2.156 -9.229
141 HH TYR 17 HH TYR 17 5.939 -3.949 -8.027
142 H PHE 18 H PHE 18 0.918 -3.548 -2.020
143 HA PHE 18 HA PHE 18 3.108 -5.328 -2.575
144 HB3 PHE 18 HB3 PHE 18 2.950 -5.192 0.129
145 HD1 PHE 18 HD1 PHE 18 3.115 -2.634 -2.572
146 HD2 PHE 18 HD2 PHE 18 4.831 -4.143 1.003
147 HE1 PHE 18 HE1 PHE 18 5.050 -1.057 -2.836
148 HE2 PHE 18 HE2 PHE 18 6.766 -2.565 0.740
149 HZ PHE 18 HZ PHE 18 6.853 -1.042 -1.177
150 H LEU 19 H LEU 19 0.010 -5.433 -0.678
151 HA LEU 19 HA LEU 19 0.176 -7.975 0.269
152 HB3 LEU 19 HB3 LEU 19 -2.334 -6.691 -0.809
153 HG LEU 19 HG LEU 19 -3.123 -8.672 0.037
154 HD11 LEU 19 HD11 LEU 19 -0.932 -9.596 0.631
155 HD12 LEU 19 HD12 LEU 19 -0.945 -8.662 2.145
156 HD13 LEU 19 HD13 LEU 19 -2.153 -9.942 1.878
157 HD21 LEU 19 HD21 LEU 19 -3.371 -8.045 2.734
158 HD22 LEU 19 HD22 LEU 19 -3.203 -6.465 1.932
159 HD23 LEU 19 HD23 LEU 19 -4.486 -7.589 1.423
160 H MET 20 H MET 20 -0.948 -6.900 -2.997
161 HA MET 20 HA MET 20 -1.774 -9.305 -3.937
162 HB3 MET 20 HB3 MET 20 -0.729 -8.238 -6.195
163 HG3 MET 20 HG3 MET 20 -2.752 -6.405 -4.975
164 HE1 MET 20 HE1 MET 20 -3.222 -5.122 -8.244
165 HE2 MET 20 HE2 MET 20 -2.618 -4.973 -6.576
166 HE3 MET 20 HE3 MET 20 -1.517 -5.478 -7.879
167 H LEU 21 H LEU 21 1.461 -8.328 -3.078
168 HA LEU 21 HA LEU 21 2.614 -10.489 -4.668
169 HB3 LEU 21 HB3 LEU 21 3.452 -7.961 -4.360
170 HG LEU 21 HG LEU 21 4.027 -8.575 -1.871
171 HD11 LEU 21 HD11 LEU 21 5.736 -9.951 -1.423
172 HD12 LEU 21 HD12 LEU 21 5.431 -10.599 -3.053
173 HD13 LEU 21 HD13 LEU 21 6.699 -9.374 -2.805
174 HD21 LEU 21 HD21 LEU 21 5.053 -6.752 -3.778
175 HD22 LEU 21 HD22 LEU 21 5.035 -6.605 -2.004
176 HD23 LEU 21 HD23 LEU 21 6.434 -7.342 -2.822
177 H ILE 22 H ILE 22 2.122 -9.318 -1.304
178 HA ILE 22 HA ILE 22 3.581 -11.418 -0.115
179 HB ILE 22 HB ILE 22 1.346 -9.884 1.182
180 HG13 ILE 22 HG13 ILE 22 2.410 -8.079 0.223
181 HG21 ILE 22 HG21 ILE 22 3.991 -10.940 2.222
182 HG22 ILE 22 HG22 ILE 22 2.753 -10.079 3.168
183 HG23 ILE 22 HG23 ILE 22 2.391 -11.680 2.479
184 HD11 ILE 22 HD11 ILE 22 2.552 -7.857 2.691
185 HD12 ILE 22 HD12 ILE 22 4.124 -8.692 2.675
186 HD13 ILE 22 HD13 ILE 22 3.956 -7.097 1.902
187 H PHE 23 H PHE 23 0.013 -10.854 -0.520
188 HA PHE 23 HA PHE 23 -0.980 -13.072 0.581
189 HB3 PHE 23 HB3 PHE 23 -1.766 -12.236 -2.253
190 HD1 PHE 23 HD1 PHE 23 -2.426 -14.499 0.047
191 HD2 PHE 23 HD2 PHE 23 -4.382 -11.135 -1.647
192 HE1 PHE 23 HE1 PHE 23 -4.654 -15.505 0.618
193 HE2 PHE 23 HE2 PHE 23 -6.609 -12.142 -1.076
194 HZ PHE 23 HZ PHE 23 -6.718 -14.315 0.050
195 H MET 24 H MET 24 0.514 -12.867 -2.710
196 HA MET 24 HA MET 24 -0.078 -15.381 -3.559
197 HB3 MET 24 HB3 MET 24 2.629 -14.736 -4.359
198 HG3 MET 24 HG3 MET 24 0.856 -13.631 -6.261
199 HE1 MET 24 HE1 MET 24 1.234 -16.676 -8.733
200 HE2 MET 24 HE2 MET 24 -0.136 -16.554 -7.604
201 HE3 MET 24 HE3 MET 24 0.464 -15.099 -8.434
202 H THR 25 H THR 25 2.504 -14.288 -1.321
203 HA THR 25 HA THR 25 3.698 -16.921 -1.238
204 HB THR 25 HB THR 25 5.348 -15.812 0.142
205 HG1 THR 25 HG1 THR 25 3.409 -13.621 0.259
206 HG21 THR 25 HG21 THR 25 5.106 -14.878 -2.292
207 HG22 THR 25 HG22 THR 25 4.287 -13.493 -1.530
208 HG23 THR 25 HG23 THR 25 5.978 -13.866 -1.115
209 H TYR 26 H TYR 26 1.808 -14.789 0.995
210 HA TYR 26 HA TYR 26 1.702 -16.784 3.011
211 HB3 TYR 26 HB3 TYR 26 -0.172 -15.102 3.767
212 HD1 TYR 26 HD1 TYR 26 3.285 -15.305 2.910
213 HD2 TYR 26 HD2 TYR 26 0.375 -12.740 4.714
214 HE1 TYR 26 HE1 TYR 26 5.137 -14.017 4.083
215 HE2 TYR 26 HE2 TYR 26 2.236 -11.461 5.881
216 HH TYR 26 HH TYR 26 4.650 -12.094 6.642
217 H ASN 27 H ASN 27 0.373 -16.818 -0.034
218 HA ASN 27 HA ASN 27 -2.259 -17.262 0.209
219 HB3 ASN 27 HB3 ASN 27 -1.108 -19.336 -1.501
220 HD21 ASN 27 HD22 ASN 27 -1.359 -15.886 -2.183
221 HD22 ASN 27 HD21 ASN 27 -2.823 -15.935 -3.105
222 H LYS 28 H LYS 28 0.313 -19.859 0.245
223 HA LYS 28 HA LYS 28 0.186 -21.987 0.933
224 HB3 LYS 28 HB3 LYS 28 0.412 -22.128 3.230
225 HG3 LYS 28 HG3 LYS 28 1.228 -19.860 4.042
226 HD3 LYS 28 HD3 LYS 28 2.262 -20.164 1.233
227 HE3 LYS 28 HE3 LYS 28 3.389 -18.723 2.975
228 HZ1 LYS 28 HZ1 LYS 28 3.809 -19.563 4.953
229 HZ2 LYS 28 HZ2 LYS 28 2.922 -20.880 4.572
230 HZ3 LYS 28 HZ3 LYS 28 4.540 -20.891 4.346
231 H LYS 29 H LYS 29 -1.581 -22.494 -0.613
232 HA LYS 29 HA LYS 29 -3.626 -23.181 -1.156
233 HB3 LYS 29 HB3 LYS 29 -4.532 -24.925 0.461
234 HG3 LYS 29 HG3 LYS 29 -2.224 -26.257 0.287
235 HD3 LYS 29 HD3 LYS 29 -3.548 -25.268 -2.275
236 HE3 LYS 29 HE3 LYS 29 -2.535 -28.046 -1.525
237 HZ1 LYS 29 HZ1 LYS 29 -3.833 -28.255 -3.355
238 HZ2 LYS 29 HZ2 LYS 29 -3.555 -26.745 -3.911
239 HZ3 LYS 29 HZ3 LYS 29 -2.419 -27.903 -4.091
Start of MODEL 10
1 H1 LYS 1 H1 LYS 1 -2.096 19.281 9.364
2 HA LYS 1 HA LYS 1 -3.651 18.490 10.713
3 HB3 LYS 1 HB3 LYS 1 -5.967 19.538 10.539
4 HG3 LYS 1 HG3 LYS 1 -4.562 21.973 10.636
5 HD3 LYS 1 HD3 LYS 1 -4.361 21.273 13.171
6 HE3 LYS 1 HE3 LYS 1 -6.458 22.308 11.609
7 HZ1 LYS 1 HZ1 LYS 1 -7.329 19.927 12.033
8 HZ2 LYS 1 HZ2 LYS 1 -7.691 20.500 13.519
9 HZ3 LYS 1 HZ3 LYS 1 -8.335 21.203 12.192
10 H HIS 2 H HIS 2 -4.045 16.351 10.564
11 HA HIS 2 HA HIS 2 -4.904 14.441 9.910
12 HB3 HIS 2 HB3 HIS 2 -6.951 15.046 8.065
13 HD1 HIS 2 HD1 HIS 2 -7.174 15.655 11.830
14 HD2 HIS 2 HD2 HIS 2 -8.143 12.733 8.980
15 HE1 HIS 2 HE1 HIS 2 -8.526 13.876 13.062
16 HE2 HIS 2 HE2 HIS 2 -9.140 12.135 11.249
17 H LEU 3 H LEU 3 -2.812 16.019 8.341
18 HA LEU 3 HA LEU 3 -2.948 15.806 5.673
19 HB3 LEU 3 HB3 LEU 3 -0.497 15.334 5.742
20 HG LEU 3 HG LEU 3 -0.767 17.313 7.921
21 HD11 LEU 3 HD11 LEU 3 1.302 17.365 6.901
22 HD12 LEU 3 HD12 LEU 3 0.633 17.078 5.277
23 HD13 LEU 3 HD13 LEU 3 0.442 18.670 6.050
24 HD21 LEU 3 HD21 LEU 3 -2.934 17.634 6.861
25 HD22 LEU 3 HD22 LEU 3 -1.853 19.004 6.509
26 HD23 LEU 3 HD23 LEU 3 -2.156 17.765 5.266
27 H LEU 4 H LEU 4 -2.725 13.135 8.023
28 HA LEU 4 HA LEU 4 -1.920 11.062 6.502
29 HB3 LEU 4 HB3 LEU 4 -3.711 9.761 7.869
30 HG LEU 4 HG LEU 4 -2.447 9.799 9.883
31 HD11 LEU 4 HD11 LEU 4 -0.397 10.393 7.748
32 HD12 LEU 4 HD12 LEU 4 -0.284 9.266 9.119
33 HD13 LEU 4 HD13 LEU 4 -1.372 8.904 7.757
34 HD21 LEU 4 HD21 LEU 4 -2.441 12.423 9.856
35 HD22 LEU 4 HD22 LEU 4 -1.168 11.518 10.709
36 HD23 LEU 4 HD23 LEU 4 -0.846 12.206 9.099
37 H GLN 5 H GLN 5 -5.009 12.836 6.299
38 HA GLN 5 HA GLN 5 -6.629 11.235 5.001
39 HB3 GLN 5 HB3 GLN 5 -6.136 13.940 3.747
40 HG3 GLN 5 HG3 GLN 5 -8.110 12.591 3.048
41 HE21 GLN 5 HE22 GLN 5 -10.376 12.088 3.678
42 HE22 GLN 5 HE21 GLN 5 -10.656 11.303 5.198
43 H THR 6 H THR 6 -3.543 12.465 3.743
44 HA THR 6 HA THR 6 -4.110 11.356 1.102
45 HB THR 6 HB THR 6 -3.019 13.678 1.620
46 HG1 THR 6 HG1 THR 6 -2.868 12.849 -0.495
47 HG21 THR 6 HG21 THR 6 -0.616 11.809 1.971
48 HG22 THR 6 HG22 THR 6 -0.547 13.582 1.830
49 HG23 THR 6 HG23 THR 6 -1.300 12.831 3.257
50 H VAL 7 H VAL 7 -1.705 11.003 3.788
51 HA VAL 7 HA VAL 7 -0.222 8.985 2.699
52 HB VAL 7 HB VAL 7 -1.044 9.188 5.598
53 HG11 VAL 7 HG11 VAL 7 1.471 8.526 5.805
54 HG12 VAL 7 HG12 VAL 7 0.269 7.276 5.400
55 HG13 VAL 7 HG13 VAL 7 1.287 7.981 4.121
56 HG21 VAL 7 HG21 VAL 7 -0.431 11.385 5.211
57 HG22 VAL 7 HG22 VAL 7 1.135 10.658 5.645
58 HG23 VAL 7 HG23 VAL 7 0.733 10.952 3.936
59 H LEU 8 H LEU 8 -3.423 8.836 4.328
60 HA LEU 8 HA LEU 8 -3.617 6.110 4.630
61 HB3 LEU 8 HB3 LEU 8 -6.007 6.453 4.672
62 HG LEU 8 HG LEU 8 -4.300 8.492 6.025
63 HD11 LEU 8 HD11 LEU 8 -5.855 10.037 6.387
64 HD12 LEU 8 HD12 LEU 8 -6.818 9.260 5.107
65 HD13 LEU 8 HD13 LEU 8 -7.077 8.813 6.811
66 HD21 LEU 8 HD21 LEU 8 -6.238 6.349 6.919
67 HD22 LEU 8 HD22 LEU 8 -4.467 6.379 7.095
68 HD23 LEU 8 HD23 LEU 8 -5.474 7.511 8.030
69 H HIS 9 H HIS 9 -4.414 8.158 1.754
70 HA HIS 9 HA HIS 9 -5.264 5.976 0.205
71 HB3 HIS 9 HB3 HIS 9 -4.170 8.286 -1.250
72 HD1 HIS 9 HD1 HIS 9 -7.303 6.322 -0.267
73 HD2 HIS 9 HD2 HIS 9 -5.752 8.515 -3.489
74 HE1 HIS 9 HE1 HIS 9 -8.948 6.020 -2.195
75 HE2 HIS 9 HE2 HIS 9 -7.969 7.434 -4.129
76 H ILE 10 H ILE 10 -2.111 7.657 0.649
77 HA ILE 10 HA ILE 10 -0.744 6.386 -1.404
78 HB ILE 10 HB ILE 10 0.097 7.606 1.213
79 HG13 ILE 10 HG13 ILE 10 -0.831 8.954 -0.775
80 HG21 ILE 10 HG21 ILE 10 1.638 5.804 -0.441
81 HG22 ILE 10 HG22 ILE 10 2.364 7.428 -0.426
82 HG23 ILE 10 HG23 ILE 10 2.060 6.575 1.106
83 HD11 ILE 10 HD11 ILE 10 0.990 9.559 1.197
84 HD12 ILE 10 HD12 ILE 10 1.924 9.950 -0.266
85 HD13 ILE 10 HD13 ILE 10 0.356 10.740 0.027
86 H ILE 11 H ILE 11 -0.793 5.539 2.135
87 HA ILE 11 HA ILE 11 0.580 3.151 1.834
88 HB ILE 11 HB ILE 11 -1.190 4.375 3.886
89 HG13 ILE 11 HG13 ILE 11 1.616 3.230 3.999
90 HG21 ILE 11 HG21 ILE 11 -1.066 2.411 5.324
91 HG22 ILE 11 HG22 ILE 11 -1.963 2.048 3.830
92 HG23 ILE 11 HG23 ILE 11 -0.285 1.486 4.020
93 HD11 ILE 11 HD11 ILE 11 1.430 5.219 2.497
94 HD12 ILE 11 HD12 ILE 11 0.637 6.117 3.813
95 HD13 ILE 11 HD13 ILE 11 2.328 5.592 3.987
96 H GLN 12 H GLN 12 -2.613 4.052 0.835
97 HA GLN 12 HA GLN 12 -3.807 1.534 1.079
98 HB3 GLN 12 HB3 GLN 12 -4.758 3.261 -1.138
99 HG3 GLN 12 HG3 GLN 12 -5.803 1.568 1.013
100 HE21 GLN 12 HE22 GLN 12 -8.378 3.109 -0.191
101 HE22 GLN 12 HE21 GLN 12 -8.769 4.215 1.084
102 H VAL 13 H VAL 13 -2.390 3.284 -1.782
103 HA VAL 13 HA VAL 13 -2.694 1.203 -3.584
104 HB VAL 13 HB VAL 13 -0.649 3.424 -3.412
105 HG11 VAL 13 HG11 VAL 13 -0.188 1.322 -4.939
106 HG12 VAL 13 HG12 VAL 13 -1.399 2.089 -5.995
107 HG13 VAL 13 HG13 VAL 13 0.083 2.971 -5.554
108 HG21 VAL 13 HG21 VAL 13 -3.457 3.401 -3.984
109 HG22 VAL 13 HG22 VAL 13 -2.324 4.773 -3.992
110 HG23 VAL 13 HG23 VAL 13 -2.576 3.819 -5.473
111 H VAL 14 H VAL 14 0.423 2.198 -1.992
112 HA VAL 14 HA VAL 14 1.989 0.164 -2.658
113 HB VAL 14 HB VAL 14 2.501 0.446 0.063
114 HG11 VAL 14 HG11 VAL 14 3.591 2.510 -1.785
115 HG12 VAL 14 HG12 VAL 14 4.431 1.406 -0.669
116 HG13 VAL 14 HG13 VAL 14 3.843 0.807 -2.239
117 HG21 VAL 14 HG21 VAL 14 1.666 3.168 -0.941
118 HG22 VAL 14 HG22 VAL 14 0.545 2.126 -0.032
119 HG23 VAL 14 HG23 VAL 14 2.070 2.657 0.716
120 H ILE 15 H ILE 15 0.011 0.026 0.395
121 HA ILE 15 HA ILE 15 0.428 -2.645 0.880
122 HB ILE 15 HB ILE 15 -1.852 -0.798 1.559
123 HG13 ILE 15 HG13 ILE 15 0.098 -0.063 2.634
124 HG21 ILE 15 HG21 ILE 15 -2.550 -2.460 3.238
125 HG22 ILE 15 HG22 ILE 15 -2.749 -3.052 1.572
126 HG23 ILE 15 HG23 ILE 15 -1.381 -3.619 2.560
127 HD11 ILE 15 HD11 ILE 15 -1.881 -0.579 4.181
128 HD12 ILE 15 HD12 ILE 15 -1.026 -2.076 4.624
129 HD13 ILE 15 HD13 ILE 15 -0.289 -0.494 4.970
130 H SER 16 H SER 16 -2.044 -1.032 -1.185
131 HA SER 16 HA SER 16 -3.471 -3.354 -1.717
132 HB3 SER 16 HB3 SER 16 -4.086 -1.936 -3.876
133 HG SER 16 HG SER 16 -5.637 -1.925 -2.299
134 H TYR 17 H TYR 17 -0.342 -2.243 -2.746
135 HA TYR 17 HA TYR 17 -0.389 -3.996 -5.093
136 HB3 TYR 17 HB3 TYR 17 1.442 -1.803 -3.950
137 HD1 TYR 17 HD1 TYR 17 3.281 -3.729 -4.075
138 HD2 TYR 17 HD2 TYR 17 1.404 -1.922 -7.468
139 HE1 TYR 17 HE1 TYR 17 5.229 -4.445 -5.542
140 HE2 TYR 17 HE2 TYR 17 3.359 -2.644 -8.925
141 HH TYR 17 HH TYR 17 6.250 -3.512 -7.758
142 H PHE 18 H PHE 18 0.756 -3.722 -1.787
143 HA PHE 18 HA PHE 18 2.875 -5.636 -2.194
144 HB3 PHE 18 HB3 PHE 18 2.857 -5.340 0.423
145 HD1 PHE 18 HD1 PHE 18 4.634 -4.716 -1.888
146 HD2 PHE 18 HD2 PHE 18 2.584 -2.151 0.801
147 HE1 PHE 18 HE1 PHE 18 6.360 -2.934 -2.271
148 HE2 PHE 18 HE2 PHE 18 4.310 -0.369 0.417
149 HZ PHE 18 HZ PHE 18 6.178 -0.782 -1.113
150 H LEU 19 H LEU 19 -0.315 -5.452 -0.475
151 HA LEU 19 HA LEU 19 -0.328 -7.939 0.647
152 HB3 LEU 19 HB3 LEU 19 -2.721 -6.606 -0.613
153 HG LEU 19 HG LEU 19 -4.061 -7.743 0.787
154 HD11 LEU 19 HD11 LEU 19 -3.297 -10.026 1.303
155 HD12 LEU 19 HD12 LEU 19 -2.866 -9.523 -0.349
156 HD13 LEU 19 HD13 LEU 19 -1.626 -9.542 0.929
157 HD21 LEU 19 HD21 LEU 19 -1.860 -7.439 2.817
158 HD22 LEU 19 HD22 LEU 19 -3.509 -6.768 2.826
159 HD23 LEU 19 HD23 LEU 19 -3.254 -8.505 3.117
160 H MET 20 H MET 20 -1.169 -6.990 -2.732
161 HA MET 20 HA MET 20 -2.050 -9.490 -3.510
162 HB3 MET 20 HB3 MET 20 -1.299 -8.556 -5.855
163 HG3 MET 20 HG3 MET 20 -2.915 -6.401 -4.589
164 HE1 MET 20 HE1 MET 20 -2.739 -6.160 -8.395
165 HE2 MET 20 HE2 MET 20 -3.404 -5.163 -7.078
166 HE3 MET 20 HE3 MET 20 -1.806 -5.926 -6.897
167 H LEU 21 H LEU 21 1.081 -8.501 -2.549
168 HA LEU 21 HA LEU 21 2.356 -10.559 -4.194
169 HB3 LEU 21 HB3 LEU 21 3.093 -7.981 -3.715
170 HG LEU 21 HG LEU 21 3.778 -8.648 -1.344
171 HD11 LEU 21 HD11 LEU 21 6.351 -9.682 -2.039
172 HD12 LEU 21 HD12 LEU 21 5.090 -10.402 -1.009
173 HD13 LEU 21 HD13 LEU 21 5.100 -10.723 -2.760
174 HD21 LEU 21 HD21 LEU 21 5.148 -7.072 -3.352
175 HD22 LEU 21 HD22 LEU 21 4.859 -6.729 -1.629
176 HD23 LEU 21 HD23 LEU 21 6.281 -7.680 -2.121
177 H ILE 22 H ILE 22 1.666 -9.498 -0.838
178 HA ILE 22 HA ILE 22 3.221 -11.448 0.428
179 HB ILE 22 HB ILE 22 0.677 -10.261 1.509
180 HG13 ILE 22 HG13 ILE 22 1.626 -8.309 0.733
181 HG21 ILE 22 HG21 ILE 22 3.289 -11.026 2.841
182 HG22 ILE 22 HG22 ILE 22 1.832 -10.394 3.643
183 HG23 ILE 22 HG23 ILE 22 1.793 -11.990 2.856
184 HD11 ILE 22 HD11 ILE 22 3.146 -8.795 3.338
185 HD12 ILE 22 HD12 ILE 22 2.792 -7.211 2.608
186 HD13 ILE 22 HD13 ILE 22 1.464 -8.221 3.228
187 H PHE 23 H PHE 23 -0.334 -11.378 -0.328
188 HA PHE 23 HA PHE 23 -0.733 -14.025 0.525
189 HB3 PHE 23 HB3 PHE 23 -2.846 -13.603 -1.026
190 HD1 PHE 23 HD1 PHE 23 -1.044 -12.177 1.758
191 HD2 PHE 23 HD2 PHE 23 -4.837 -12.385 -0.132
192 HE1 PHE 23 HE1 PHE 23 -2.137 -11.344 3.859
193 HE2 PHE 23 HE2 PHE 23 -5.930 -11.552 1.967
194 HZ PHE 23 HZ PHE 23 -4.567 -11.042 3.938
195 H MET 24 H MET 24 0.993 -12.832 -2.136
196 HA MET 24 HA MET 24 0.230 -15.078 -3.808
197 HB3 MET 24 HB3 MET 24 2.224 -13.523 -5.107
198 HG3 MET 24 HG3 MET 24 -0.374 -12.463 -5.751
199 HE1 MET 24 HE1 MET 24 -0.481 -15.695 -6.748
200 HE2 MET 24 HE2 MET 24 -0.080 -15.640 -8.481
201 HE3 MET 24 HE3 MET 24 1.143 -16.169 -7.301
202 H THR 25 H THR 25 2.910 -13.710 -1.895
203 HA THR 25 HA THR 25 4.768 -15.715 -2.871
204 HB THR 25 HB THR 25 6.256 -14.466 -1.161
205 HG1 THR 25 HG1 THR 25 4.676 -13.528 0.182
206 HG21 THR 25 HG21 THR 25 6.284 -12.306 -2.460
207 HG22 THR 25 HG22 THR 25 6.302 -13.728 -3.530
208 HG23 THR 25 HG23 THR 25 4.793 -12.814 -3.288
209 H TYR 26 H TYR 26 2.837 -14.981 0.066
210 HA TYR 26 HA TYR 26 3.963 -17.230 1.460
211 HB3 TYR 26 HB3 TYR 26 1.928 -16.473 2.994
212 HD1 TYR 26 HD1 TYR 26 4.982 -15.252 1.491
213 HD2 TYR 26 HD2 TYR 26 2.185 -14.574 4.657
214 HE1 TYR 26 HE1 TYR 26 6.702 -13.838 2.718
215 HE2 TYR 26 HE2 TYR 26 3.914 -13.162 5.872
216 HH TYR 26 HH TYR 26 7.032 -12.440 4.368
217 H ASN 27 H ASN 27 2.095 -17.219 -1.192
218 HA ASN 27 HA ASN 27 0.335 -19.293 -0.140
219 HB3 ASN 27 HB3 ASN 27 -0.797 -18.742 -2.544
220 HD21 ASN 27 HD22 ASN 27 -0.106 -16.790 0.354
221 HD22 ASN 27 HD21 ASN 27 -1.739 -16.638 0.911
222 H LYS 28 H LYS 28 2.162 -18.163 -3.089
223 HA LYS 28 HA LYS 28 3.548 -19.284 -4.428
224 HB3 LYS 28 HB3 LYS 28 2.988 -21.991 -3.317
225 HG3 LYS 28 HG3 LYS 28 5.292 -20.381 -4.407
226 HD3 LYS 28 HD3 LYS 28 5.449 -22.417 -2.205
227 HE3 LYS 28 HE3 LYS 28 7.569 -22.254 -4.395
228 HZ1 LYS 28 HZ1 LYS 28 7.652 -23.134 -1.833
229 HZ2 LYS 28 HZ2 LYS 28 7.474 -24.508 -2.698
230 HZ3 LYS 28 HZ3 LYS 28 8.722 -23.502 -3.011
231 H LYS 29 H LYS 29 0.556 -21.162 -3.602
232 HA LYS 29 HA LYS 29 0.230 -22.079 -6.260
233 HB3 LYS 29 HB3 LYS 29 -2.240 -22.127 -4.831
234 HG3 LYS 29 HG3 LYS 29 -1.563 -24.607 -4.655
235 HD3 LYS 29 HD3 LYS 29 -1.608 -23.049 -7.259
236 HE3 LYS 29 HE3 LYS 29 -2.109 -25.719 -7.928
237 HZ1 LYS 29 HZ1 LYS 29 -0.796 -23.941 -9.074
238 HZ2 LYS 29 HZ2 LYS 29 0.502 -24.420 -8.205
239 HZ3 LYS 29 HZ3 LYS 29 -0.221 -25.461 -9.236
Start of MODEL 11
1 H1 LYS 1 H1 LYS 1 -1.304 17.821 9.785
2 HA LYS 1 HA LYS 1 -3.268 18.830 10.714
3 HB3 LYS 1 HB3 LYS 1 -3.916 20.162 8.122
4 HG3 LYS 1 HG3 LYS 1 -5.376 20.044 10.273
5 HD3 LYS 1 HD3 LYS 1 -3.115 20.840 11.572
6 HE3 LYS 1 HE3 LYS 1 -3.341 23.095 10.275
7 HZ1 LYS 1 HZ1 LYS 1 -5.035 24.421 10.815
8 HZ2 LYS 1 HZ2 LYS 1 -5.819 23.037 11.181
9 HZ3 LYS 1 HZ3 LYS 1 -5.125 23.920 12.366
10 H HIS 2 H HIS 2 -3.406 16.458 10.572
11 HA HIS 2 HA HIS 2 -4.371 14.596 9.930
12 HB3 HIS 2 HB3 HIS 2 -6.465 15.354 8.201
13 HD1 HIS 2 HD1 HIS 2 -5.964 15.644 12.007
14 HD2 HIS 2 HD2 HIS 2 -8.239 13.541 9.179
15 HE1 HIS 2 HE1 HIS 2 -7.507 14.104 13.332
16 HE2 HIS 2 HE2 HIS 2 -8.918 12.878 11.543
17 H LEU 3 H LEU 3 -2.252 15.990 8.225
18 HA LEU 3 HA LEU 3 -2.562 15.768 5.572
19 HB3 LEU 3 HB3 LEU 3 -0.155 15.105 5.504
20 HG LEU 3 HG LEU 3 -0.146 17.123 7.667
21 HD11 LEU 3 HD11 LEU 3 1.831 16.694 6.329
22 HD12 LEU 3 HD12 LEU 3 0.936 17.065 4.836
23 HD13 LEU 3 HD13 LEU 3 1.237 18.346 6.036
24 HD21 LEU 3 HD21 LEU 3 -2.356 17.549 6.663
25 HD22 LEU 3 HD22 LEU 3 -1.206 18.872 6.359
26 HD23 LEU 3 HD23 LEU 3 -1.588 17.711 5.065
27 H LEU 4 H LEU 4 -2.470 13.119 7.942
28 HA LEU 4 HA LEU 4 -1.898 10.969 6.407
29 HB3 LEU 4 HB3 LEU 4 -3.656 9.801 7.886
30 HG LEU 4 HG LEU 4 -2.332 9.827 9.848
31 HD11 LEU 4 HD11 LEU 4 -0.262 10.417 7.744
32 HD12 LEU 4 HD12 LEU 4 -0.244 9.196 9.040
33 HD13 LEU 4 HD13 LEU 4 -1.311 8.982 7.632
34 HD21 LEU 4 HD21 LEU 4 -1.058 11.543 10.662
35 HD22 LEU 4 HD22 LEU 4 -0.698 12.197 9.048
36 HD23 LEU 4 HD23 LEU 4 -2.298 12.467 9.780
37 H GLN 5 H GLN 5 -4.847 12.981 6.355
38 HA GLN 5 HA GLN 5 -6.654 11.501 5.162
39 HB3 GLN 5 HB3 GLN 5 -6.037 14.154 3.854
40 HG3 GLN 5 HG3 GLN 5 -8.149 12.955 3.302
41 HE21 GLN 5 HE22 GLN 5 -9.262 11.295 3.958
42 HE22 GLN 5 HE21 GLN 5 -9.895 11.007 5.545
43 H THR 6 H THR 6 -3.557 12.487 3.730
44 HA THR 6 HA THR 6 -4.354 11.345 1.153
45 HB THR 6 HB THR 6 -3.187 13.673 1.532
46 HG1 THR 6 HG1 THR 6 -3.345 12.667 -0.552
47 HG21 THR 6 HG21 THR 6 -1.325 12.836 2.995
48 HG22 THR 6 HG22 THR 6 -0.811 11.743 1.687
49 HG23 THR 6 HG23 THR 6 -0.703 13.506 1.467
50 H VAL 7 H VAL 7 -1.762 11.062 3.668
51 HA VAL 7 HA VAL 7 -0.335 9.030 2.588
52 HB VAL 7 HB VAL 7 -1.120 9.243 5.498
53 HG11 VAL 7 HG11 VAL 7 0.182 7.356 5.423
54 HG12 VAL 7 HG12 VAL 7 1.080 7.893 3.984
55 HG13 VAL 7 HG13 VAL 7 1.458 8.587 5.580
56 HG21 VAL 7 HG21 VAL 7 1.079 10.678 5.514
57 HG22 VAL 7 HG22 VAL 7 0.672 10.963 3.805
58 HG23 VAL 7 HG23 VAL 7 -0.477 11.428 5.083
59 H LEU 8 H LEU 8 -3.510 8.859 4.265
60 HA LEU 8 HA LEU 8 -3.701 6.144 4.582
61 HB3 LEU 8 HB3 LEU 8 -6.087 6.474 4.617
62 HG LEU 8 HG LEU 8 -4.372 8.484 5.959
63 HD11 LEU 8 HD11 LEU 8 -6.622 9.536 4.861
64 HD12 LEU 8 HD12 LEU 8 -7.245 8.977 6.431
65 HD13 LEU 8 HD13 LEU 8 -5.872 10.107 6.370
66 HD21 LEU 8 HD21 LEU 8 -6.011 6.172 6.621
67 HD22 LEU 8 HD22 LEU 8 -4.664 6.919 7.513
68 HD23 LEU 8 HD23 LEU 8 -6.318 7.548 7.707
69 H HIS 9 H HIS 9 -4.520 8.142 1.674
70 HA HIS 9 HA HIS 9 -5.300 5.899 0.158
71 HB3 HIS 9 HB3 HIS 9 -4.485 7.971 -1.581
72 HD1 HIS 9 HD1 HIS 9 -6.243 5.847 -2.392
73 HD2 HIS 9 HD2 HIS 9 -7.803 9.160 -0.348
74 HE1 HIS 9 HE1 HIS 9 -8.741 5.893 -2.906
75 HE2 HIS 9 HE2 HIS 9 -9.654 7.918 -1.579
76 H ILE 10 H ILE 10 -2.211 7.429 0.939
77 HA ILE 10 HA ILE 10 -0.770 6.349 -1.240
78 HB ILE 10 HB ILE 10 0.076 7.401 1.460
79 HG13 ILE 10 HG13 ILE 10 0.654 9.424 0.262
80 HG21 ILE 10 HG21 ILE 10 2.345 7.568 0.470
81 HG22 ILE 10 HG22 ILE 10 1.792 5.891 0.696
82 HG23 ILE 10 HG23 ILE 10 1.773 6.623 -0.927
83 HD11 ILE 10 HD11 ILE 10 -0.572 8.131 -2.212
84 HD12 ILE 10 HD12 ILE 10 0.204 9.729 -2.096
85 HD13 ILE 10 HD13 ILE 10 1.184 8.251 -1.941
86 H ILE 11 H ILE 11 -0.889 5.409 2.274
87 HA ILE 11 HA ILE 11 0.538 3.054 1.936
88 HB ILE 11 HB ILE 11 -1.284 4.196 3.991
89 HG13 ILE 11 HG13 ILE 11 1.543 3.108 4.111
90 HG21 ILE 11 HG21 ILE 11 -2.024 1.873 3.893
91 HG22 ILE 11 HG22 ILE 11 -0.341 1.316 4.039
92 HG23 ILE 11 HG23 ILE 11 -1.110 2.190 5.386
93 HD11 ILE 11 HD11 ILE 11 2.207 5.479 4.172
94 HD12 ILE 11 HD12 ILE 11 1.318 5.140 2.667
95 HD13 ILE 11 HD13 ILE 11 0.506 5.978 4.011
96 H GLN 12 H GLN 12 -2.643 3.928 0.893
97 HA GLN 12 HA GLN 12 -3.809 1.390 1.065
98 HB3 GLN 12 HB3 GLN 12 -4.990 2.800 -1.106
99 HG3 GLN 12 HG3 GLN 12 -5.729 2.921 1.854
100 HE21 GLN 12 HE22 GLN 12 -7.280 2.008 -1.202
101 HE22 GLN 12 HE21 GLN 12 -8.548 3.188 -1.174
102 H VAL 13 H VAL 13 -2.361 3.215 -1.730
103 HA VAL 13 HA VAL 13 -2.601 1.168 -3.579
104 HB VAL 13 HB VAL 13 -0.545 3.374 -3.348
105 HG11 VAL 13 HG11 VAL 13 -0.806 1.214 -5.251
106 HG12 VAL 13 HG12 VAL 13 -1.072 2.779 -6.055
107 HG13 VAL 13 HG13 VAL 13 0.432 2.488 -5.148
108 HG21 VAL 13 HG21 VAL 13 -3.357 3.254 -4.395
109 HG22 VAL 13 HG22 VAL 13 -2.548 4.519 -3.439
110 HG23 VAL 13 HG23 VAL 13 -2.180 4.340 -5.171
111 H VAL 14 H VAL 14 0.471 2.174 -1.910
112 HA VAL 14 HA VAL 14 2.080 0.177 -2.584
113 HB VAL 14 HB VAL 14 2.531 0.411 0.154
114 HG11 VAL 14 HG11 VAL 14 4.428 1.580 -0.484
115 HG12 VAL 14 HG12 VAL 14 4.002 0.732 -1.990
116 HG13 VAL 14 HG13 VAL 14 3.584 2.451 -1.788
117 HG21 VAL 14 HG21 VAL 14 0.555 2.068 0.046
118 HG22 VAL 14 HG22 VAL 14 2.057 2.604 0.838
119 HG23 VAL 14 HG23 VAL 14 1.683 3.142 -0.817
120 H ILE 15 H ILE 15 0.044 -0.053 0.425
121 HA ILE 15 HA ILE 15 0.491 -2.721 0.875
122 HB ILE 15 HB ILE 15 -1.838 -0.924 1.513
123 HG13 ILE 15 HG13 ILE 15 0.074 -0.197 2.663
124 HG21 ILE 15 HG21 ILE 15 -2.562 -2.635 3.140
125 HG22 ILE 15 HG22 ILE 15 -2.721 -3.177 1.451
126 HG23 ILE 15 HG23 ILE 15 -1.373 -3.766 2.452
127 HD11 ILE 15 HD11 ILE 15 -0.374 -0.716 4.993
128 HD12 ILE 15 HD12 ILE 15 -1.936 -0.686 4.140
129 HD13 ILE 15 HD13 ILE 15 -1.176 -2.242 4.550
130 H SER 16 H SER 16 -1.970 -1.130 -1.225
131 HA SER 16 HA SER 16 -3.323 -3.471 -1.841
132 HB3 SER 16 HB3 SER 16 -2.995 -0.929 -3.498
133 HG SER 16 HG SER 16 -5.393 -1.845 -3.901
134 H TYR 17 H TYR 17 -0.211 -2.218 -2.819
135 HA TYR 17 HA TYR 17 -0.143 -3.944 -5.177
136 HB3 TYR 17 HB3 TYR 17 1.619 -1.760 -3.914
137 HD1 TYR 17 HD1 TYR 17 3.485 -3.660 -4.021
138 HD2 TYR 17 HD2 TYR 17 1.709 -1.787 -7.434
139 HE1 TYR 17 HE1 TYR 17 5.495 -4.314 -5.435
140 HE2 TYR 17 HE2 TYR 17 3.724 -2.446 -8.836
141 HH TYR 17 HH TYR 17 6.542 -3.946 -7.348
142 H PHE 18 H PHE 18 0.882 -3.752 -1.829
143 HA PHE 18 HA PHE 18 3.041 -5.627 -2.216
144 HB3 PHE 18 HB3 PHE 18 2.720 -5.415 0.473
145 HD1 PHE 18 HD1 PHE 18 3.155 -2.868 -2.218
146 HD2 PHE 18 HD2 PHE 18 4.652 -4.529 1.388
147 HE1 PHE 18 HE1 PHE 18 5.193 -1.412 -2.393
148 HE2 PHE 18 HE2 PHE 18 6.689 -3.073 1.214
149 HZ PHE 18 HZ PHE 18 6.935 -1.532 -0.676
150 H LEU 19 H LEU 19 -0.152 -5.532 -0.480
151 HA LEU 19 HA LEU 19 -0.169 -8.061 0.512
152 HB3 LEU 19 HB3 LEU 19 -2.719 -7.162 -0.656
153 HG LEU 19 HG LEU 19 -3.594 -7.395 1.539
154 HD11 LEU 19 HD11 LEU 19 -1.650 -9.591 0.822
155 HD12 LEU 19 HD12 LEU 19 -2.779 -9.723 2.191
156 HD13 LEU 19 HD13 LEU 19 -3.406 -9.515 0.538
157 HD21 LEU 19 HD21 LEU 19 -2.042 -7.985 3.476
158 HD22 LEU 19 HD22 LEU 19 -0.718 -7.380 2.454
159 HD23 LEU 19 HD23 LEU 19 -2.048 -6.294 2.923
160 H MET 20 H MET 20 -0.802 -6.974 -2.849
161 HA MET 20 HA MET 20 -1.830 -9.320 -3.817
162 HB3 MET 20 HB3 MET 20 -0.002 -7.230 -5.121
163 HG3 MET 20 HG3 MET 20 -1.790 -9.352 -6.404
164 HE1 MET 20 HE1 MET 20 -3.275 -8.367 -7.475
165 HE2 MET 20 HE2 MET 20 -3.243 -6.874 -8.443
166 HE3 MET 20 HE3 MET 20 -2.814 -8.430 -9.193
167 H LEU 21 H LEU 21 1.337 -8.686 -2.586
168 HA LEU 21 HA LEU 21 2.363 -11.065 -3.969
169 HB3 LEU 21 HB3 LEU 21 3.430 -8.658 -4.161
170 HG LEU 21 HG LEU 21 3.835 -8.703 -1.555
171 HD11 LEU 21 HD11 LEU 21 5.058 -11.012 -1.970
172 HD12 LEU 21 HD12 LEU 21 6.446 -9.948 -2.303
173 HD13 LEU 21 HD13 LEU 21 5.619 -9.866 -0.729
174 HD21 LEU 21 HD21 LEU 21 4.814 -6.825 -2.224
175 HD22 LEU 21 HD22 LEU 21 6.319 -7.753 -2.432
176 HD23 LEU 21 HD23 LEU 21 5.215 -7.524 -3.810
177 H ILE 22 H ILE 22 1.515 -9.527 -0.919
178 HA ILE 22 HA ILE 22 3.032 -11.208 0.755
179 HB ILE 22 HB ILE 22 0.460 -9.744 1.355
180 HG13 ILE 22 HG13 ILE 22 1.547 -7.773 1.467
181 HG21 ILE 22 HG21 ILE 22 0.782 -11.051 3.211
182 HG22 ILE 22 HG22 ILE 22 2.552 -11.084 3.026
183 HG23 ILE 22 HG23 ILE 22 1.749 -9.622 3.648
184 HD11 ILE 22 HD11 ILE 22 3.797 -9.441 2.575
185 HD12 ILE 22 HD12 ILE 22 4.189 -7.845 1.892
186 HD13 ILE 22 HD13 ILE 22 3.038 -7.976 3.243
187 H PHE 23 H PHE 23 -0.508 -11.251 -0.091
188 HA PHE 23 HA PHE 23 -0.722 -13.907 0.972
189 HB3 PHE 23 HB3 PHE 23 -2.661 -12.250 -0.743
190 HD1 PHE 23 HD1 PHE 23 -2.052 -15.369 0.571
191 HD2 PHE 23 HD2 PHE 23 -5.066 -12.382 0.540
192 HE1 PHE 23 HE1 PHE 23 -3.783 -17.111 1.096
193 HE2 PHE 23 HE2 PHE 23 -6.796 -14.123 1.064
194 HZ PHE 23 HZ PHE 23 -6.134 -16.466 1.335
195 H MET 24 H MET 24 0.978 -13.124 -1.556
196 HA MET 24 HA MET 24 -0.198 -15.215 -3.217
197 HB3 MET 24 HB3 MET 24 0.993 -13.860 -5.140
198 HG3 MET 24 HG3 MET 24 -1.219 -12.190 -3.969
199 HE1 MET 24 HE1 MET 24 -2.624 -11.072 -7.186
200 HE2 MET 24 HE2 MET 24 -3.430 -12.292 -6.171
201 HE3 MET 24 HE3 MET 24 -2.507 -10.973 -5.412
202 H THR 25 H THR 25 2.876 -13.279 -2.913
203 HA THR 25 HA THR 25 4.572 -15.225 -3.883
204 HB THR 25 HB THR 25 5.112 -13.123 -1.721
205 HG1 THR 25 HG1 THR 25 4.249 -12.021 -3.493
206 HG21 THR 25 HG21 THR 25 7.226 -13.081 -3.463
207 HG22 THR 25 HG22 THR 25 7.227 -14.054 -1.972
208 HG23 THR 25 HG23 THR 25 6.812 -14.812 -3.528
209 H TYR 26 H TYR 26 3.020 -14.967 -0.708
210 HA TYR 26 HA TYR 26 4.752 -16.960 0.442
211 HB3 TYR 26 HB3 TYR 26 2.801 -16.691 2.227
212 HD1 TYR 26 HD1 TYR 26 5.340 -14.813 0.466
213 HD2 TYR 26 HD2 TYR 26 2.857 -14.831 3.950
214 HE1 TYR 26 HE1 TYR 26 6.865 -13.105 1.571
215 HE2 TYR 26 HE2 TYR 26 4.391 -13.123 5.043
216 HH TYR 26 HH TYR 26 7.229 -12.606 4.436
217 H ASN 27 H ASN 27 2.643 -17.279 -1.992
218 HA ASN 27 HA ASN 27 0.720 -19.029 -1.187
219 HB3 ASN 27 HB3 ASN 27 0.701 -18.179 -3.457
220 HD21 ASN 27 HD22 ASN 27 1.823 -19.738 -5.613
221 HD22 ASN 27 HD21 ASN 27 3.454 -19.211 -5.862
222 H LYS 28 H LYS 28 4.198 -19.515 -1.985
223 HA LYS 28 HA LYS 28 4.251 -22.265 -2.177
224 HB3 LYS 28 HB3 LYS 28 6.669 -21.636 -1.030
225 HG3 LYS 28 HG3 LYS 28 6.215 -20.842 -3.893
226 HD3 LYS 28 HD3 LYS 28 8.303 -22.050 -2.216
227 HE3 LYS 28 HE3 LYS 28 7.303 -23.539 -4.647
228 HZ1 LYS 28 HZ1 LYS 28 9.524 -24.396 -4.922
229 HZ2 LYS 28 HZ2 LYS 28 9.504 -22.790 -5.222
230 HZ3 LYS 28 HZ3 LYS 28 10.116 -23.350 -3.815
231 H LYS 29 H LYS 29 5.142 -20.328 0.772
232 HA LYS 29 HA LYS 29 4.933 -20.770 2.923
233 HB3 LYS 29 HB3 LYS 29 2.942 -22.799 3.068
234 HG3 LYS 29 HG3 LYS 29 1.530 -20.768 3.727
235 HD3 LYS 29 HD3 LYS 29 3.613 -20.090 5.464
236 HE3 LYS 29 HE3 LYS 29 2.498 -22.544 6.403
237 HZ1 LYS 29 HZ1 LYS 29 0.948 -20.749 7.420
238 HZ2 LYS 29 HZ2 LYS 29 2.515 -20.841 7.872
239 HZ3 LYS 29 HZ3 LYS 29 2.040 -19.708 6.795
Start of MODEL 12
1 H1 LYS 1 H1 LYS 1 -7.916 19.705 8.966
2 HA LYS 1 HA LYS 1 -5.457 19.864 7.434
3 HB3 LYS 1 HB3 LYS 1 -5.866 20.452 10.374
4 HG3 LYS 1 HG3 LYS 1 -3.555 20.331 8.853
5 HD3 LYS 1 HD3 LYS 1 -3.105 22.995 8.878
6 HE3 LYS 1 HE3 LYS 1 -4.543 22.344 6.402
7 HZ1 LYS 1 HZ1 LYS 1 -2.370 23.666 7.053
8 HZ2 LYS 1 HZ2 LYS 1 -1.674 22.261 6.599
9 HZ3 LYS 1 HZ3 LYS 1 -2.623 23.077 5.551
10 H HIS 2 H HIS 2 -6.012 17.362 7.104
11 HA HIS 2 HA HIS 2 -4.475 15.993 9.187
12 HB3 HIS 2 HB3 HIS 2 -6.112 14.547 9.586
13 HD1 HIS 2 HD1 HIS 2 -7.923 15.984 10.660
14 HD2 HIS 2 HD2 HIS 2 -8.206 15.834 6.478
15 HE1 HIS 2 HE1 HIS 2 -10.147 17.077 10.056
16 HE2 HIS 2 HE2 HIS 2 -10.241 17.006 7.471
17 H LEU 3 H LEU 3 -2.526 16.186 8.006
18 HA LEU 3 HA LEU 3 -2.167 15.870 5.336
19 HB3 LEU 3 HB3 LEU 3 0.090 15.540 5.791
20 HG LEU 3 HG LEU 3 0.696 17.157 7.271
21 HD11 LEU 3 HD11 LEU 3 -1.646 17.666 5.981
22 HD12 LEU 3 HD12 LEU 3 -2.088 18.039 7.664
23 HD13 LEU 3 HD13 LEU 3 -0.709 18.867 6.902
24 HD21 LEU 3 HD21 LEU 3 -1.027 15.671 9.135
25 HD22 LEU 3 HD22 LEU 3 0.536 16.480 9.401
26 HD23 LEU 3 HD23 LEU 3 -0.971 17.427 9.418
27 H LEU 4 H LEU 4 -2.363 13.279 7.851
28 HA LEU 4 HA LEU 4 -1.763 11.118 6.308
29 HB3 LEU 4 HB3 LEU 4 -3.469 9.943 7.848
30 HG LEU 4 HG LEU 4 -2.078 9.993 9.771
31 HD11 LEU 4 HD11 LEU 4 -0.074 10.526 7.592
32 HD12 LEU 4 HD12 LEU 4 -0.044 9.307 8.889
33 HD13 LEU 4 HD13 LEU 4 -1.156 9.115 7.513
34 HD21 LEU 4 HD21 LEU 4 -2.020 12.630 9.656
35 HD22 LEU 4 HD22 LEU 4 -0.751 11.709 10.499
36 HD23 LEU 4 HD23 LEU 4 -0.457 12.334 8.859
37 H GLN 5 H GLN 5 -4.699 13.132 6.295
38 HA GLN 5 HA GLN 5 -6.557 11.641 5.199
39 HB3 GLN 5 HB3 GLN 5 -5.726 14.385 4.155
40 HG3 GLN 5 HG3 GLN 5 -8.562 14.015 4.264
41 HE21 GLN 5 HE22 GLN 5 -8.599 13.093 1.431
42 HE22 GLN 5 HE21 GLN 5 -8.026 14.422 0.479
43 H THR 6 H THR 6 -3.491 12.545 3.649
44 HA THR 6 HA THR 6 -4.377 11.334 1.133
45 HB THR 6 HB THR 6 -3.175 13.658 1.400
46 HG1 THR 6 HG1 THR 6 -2.414 13.168 -0.688
47 HG21 THR 6 HG21 THR 6 -0.812 11.712 1.561
48 HG22 THR 6 HG22 THR 6 -0.696 13.466 1.286
49 HG23 THR 6 HG23 THR 6 -1.286 12.848 2.847
50 H VAL 7 H VAL 7 -1.715 11.095 3.578
51 HA VAL 7 HA VAL 7 -0.342 9.016 2.523
52 HB VAL 7 HB VAL 7 -1.047 9.335 5.445
53 HG11 VAL 7 HG11 VAL 7 0.202 7.405 5.376
54 HG12 VAL 7 HG12 VAL 7 1.106 7.905 3.927
55 HG13 VAL 7 HG13 VAL 7 1.500 8.615 5.511
56 HG21 VAL 7 HG21 VAL 7 -0.368 11.490 4.929
57 HG22 VAL 7 HG22 VAL 7 1.178 10.722 5.360
58 HG23 VAL 7 HG23 VAL 7 0.745 10.950 3.649
59 H LEU 8 H LEU 8 -3.479 8.937 4.270
60 HA LEU 8 HA LEU 8 -3.685 6.226 4.667
61 HB3 LEU 8 HB3 LEU 8 -6.061 6.586 4.789
62 HG LEU 8 HG LEU 8 -4.276 8.612 6.010
63 HD11 LEU 8 HD11 LEU 8 -7.126 9.145 6.576
64 HD12 LEU 8 HD12 LEU 8 -5.744 10.260 6.443
65 HD13 LEU 8 HD13 LEU 8 -6.551 9.663 4.973
66 HD21 LEU 8 HD21 LEU 8 -6.523 6.948 7.176
67 HD22 LEU 8 HD22 LEU 8 -4.832 6.412 7.033
68 HD23 LEU 8 HD23 LEU 8 -5.239 7.808 8.059
69 H HIS 9 H HIS 9 -4.567 8.179 1.747
70 HA HIS 9 HA HIS 9 -5.433 5.914 0.308
71 HB3 HIS 9 HB3 HIS 9 -4.521 8.185 -1.298
72 HD1 HIS 9 HD1 HIS 9 -5.717 5.712 -2.426
73 HD2 HIS 9 HD2 HIS 9 -8.104 8.820 -0.930
74 HE1 HIS 9 HE1 HIS 9 -8.006 5.445 -3.521
75 HE2 HIS 9 HE2 HIS 9 -9.445 7.350 -2.522
76 H ILE 10 H ILE 10 -2.305 7.404 0.974
77 HA ILE 10 HA ILE 10 -0.956 6.276 -1.247
78 HB ILE 10 HB ILE 10 -0.008 7.399 1.388
79 HG13 ILE 10 HG13 ILE 10 -1.161 8.981 -0.124
80 HG21 ILE 10 HG21 ILE 10 2.062 6.724 0.971
81 HG22 ILE 10 HG22 ILE 10 1.439 5.746 -0.378
82 HG23 ILE 10 HG23 ILE 10 2.003 7.408 -0.671
83 HD11 ILE 10 HD11 ILE 10 1.157 9.388 1.231
84 HD12 ILE 10 HD12 ILE 10 1.723 9.726 -0.423
85 HD13 ILE 10 HD13 ILE 10 0.371 10.660 0.264
86 H ILE 11 H ILE 11 -0.947 5.426 2.290
87 HA ILE 11 HA ILE 11 0.462 3.066 1.985
88 HB ILE 11 HB ILE 11 -1.338 4.246 4.036
89 HG13 ILE 11 HG13 ILE 11 1.491 3.160 4.150
90 HG21 ILE 11 HG21 ILE 11 -1.175 2.280 5.468
91 HG22 ILE 11 HG22 ILE 11 -2.064 1.906 3.973
92 HG23 ILE 11 HG23 ILE 11 -0.375 1.376 4.162
93 HD11 ILE 11 HD11 ILE 11 0.434 6.019 3.952
94 HD12 ILE 11 HD12 ILE 11 2.138 5.553 4.176
95 HD13 ILE 11 HD13 ILE 11 1.295 5.145 2.663
96 H GLN 12 H GLN 12 -2.763 3.902 1.009
97 HA GLN 12 HA GLN 12 -3.871 1.335 1.219
98 HB3 GLN 12 HB3 GLN 12 -5.068 2.873 -0.928
99 HG3 GLN 12 HG3 GLN 12 -5.763 1.757 1.743
100 HE21 GLN 12 HE22 GLN 12 -7.453 2.370 3.008
101 HE22 GLN 12 HE21 GLN 12 -8.192 3.936 2.964
102 H VAL 13 H VAL 13 -2.430 3.200 -1.544
103 HA VAL 13 HA VAL 13 -2.741 1.167 -3.431
104 HB VAL 13 HB VAL 13 -0.687 3.383 -3.267
105 HG11 VAL 13 HG11 VAL 13 -0.058 2.944 -5.400
106 HG12 VAL 13 HG12 VAL 13 -0.625 1.303 -5.006
107 HG13 VAL 13 HG13 VAL 13 -1.688 2.424 -5.890
108 HG21 VAL 13 HG21 VAL 13 -3.549 3.310 -4.222
109 HG22 VAL 13 HG22 VAL 13 -2.752 4.477 -3.141
110 HG23 VAL 13 HG23 VAL 13 -2.385 4.483 -4.883
111 H VAL 14 H VAL 14 0.347 2.225 -1.824
112 HA VAL 14 HA VAL 14 1.984 0.270 -2.568
113 HB VAL 14 HB VAL 14 2.516 0.486 0.151
114 HG11 VAL 14 HG11 VAL 14 4.374 1.639 -0.546
115 HG12 VAL 14 HG12 VAL 14 3.857 0.935 -2.097
116 HG13 VAL 14 HG13 VAL 14 3.464 2.628 -1.714
117 HG21 VAL 14 HG21 VAL 14 1.996 2.649 0.892
118 HG22 VAL 14 HG22 VAL 14 1.557 3.207 -0.741
119 HG23 VAL 14 HG23 VAL 14 0.487 2.086 0.134
120 H ILE 15 H ILE 15 0.008 -0.026 0.476
121 HA ILE 15 HA ILE 15 0.534 -2.692 0.893
122 HB ILE 15 HB ILE 15 -1.824 -0.961 1.612
123 HG13 ILE 15 HG13 ILE 15 0.096 -0.163 2.701
124 HG21 ILE 15 HG21 ILE 15 -2.954 -2.678 2.448
125 HG22 ILE 15 HG22 ILE 15 -1.814 -3.764 1.619
126 HG23 ILE 15 HG23 ILE 15 -1.516 -3.282 3.307
127 HD11 ILE 15 HD11 ILE 15 -0.712 -2.200 4.772
128 HD12 ILE 15 HD12 ILE 15 -0.446 -0.448 4.951
129 HD13 ILE 15 HD13 ILE 15 -1.938 -1.050 4.188
130 H SER 16 H SER 16 -1.995 -1.123 -1.137
131 HA SER 16 HA SER 16 -3.324 -3.488 -1.735
132 HB3 SER 16 HB3 SER 16 -3.114 -0.828 -3.199
133 HG SER 16 HG SER 16 -4.069 -1.847 -4.825
134 H TYR 17 H TYR 17 -0.259 -2.180 -2.759
135 HA TYR 17 HA TYR 17 -0.227 -3.856 -5.155
136 HB3 TYR 17 HB3 TYR 17 1.526 -1.661 -3.901
137 HD1 TYR 17 HD1 TYR 17 3.425 -3.523 -4.083
138 HD2 TYR 17 HD2 TYR 17 1.532 -1.633 -7.421
139 HE1 TYR 17 HE1 TYR 17 5.411 -4.117 -5.555
140 HE2 TYR 17 HE2 TYR 17 3.524 -2.233 -8.883
141 HH TYR 17 HH TYR 17 6.132 -4.251 -7.632
142 H PHE 18 H PHE 18 0.899 -3.689 -1.834
143 HA PHE 18 HA PHE 18 3.087 -5.499 -2.296
144 HB3 PHE 18 HB3 PHE 18 2.787 -5.385 0.400
145 HD1 PHE 18 HD1 PHE 18 3.139 -2.786 -2.247
146 HD2 PHE 18 HD2 PHE 18 4.661 -4.413 1.364
147 HE1 PHE 18 HE1 PHE 18 5.122 -1.254 -2.393
148 HE2 PHE 18 HE2 PHE 18 6.643 -2.880 1.219
149 HZ PHE 18 HZ PHE 18 6.851 -1.320 -0.658
150 H LEU 19 H LEU 19 -0.088 -5.567 -0.525
151 HA LEU 19 HA LEU 19 -0.027 -8.111 0.399
152 HB3 LEU 19 HB3 LEU 19 -2.610 -7.356 -0.761
153 HG LEU 19 HG LEU 19 -3.464 -7.581 1.428
154 HD11 LEU 19 HD11 LEU 19 -1.452 -9.618 0.600
155 HD12 LEU 19 HD12 LEU 19 -2.170 -9.766 2.222
156 HD13 LEU 19 HD13 LEU 19 -3.218 -9.749 0.784
157 HD21 LEU 19 HD21 LEU 19 -1.872 -6.205 2.632
158 HD22 LEU 19 HD22 LEU 19 -2.053 -7.781 3.441
159 HD23 LEU 19 HD23 LEU 19 -0.613 -7.451 2.448
160 H MET 20 H MET 20 -0.931 -7.014 -2.926
161 HA MET 20 HA MET 20 -1.777 -9.349 -3.953
162 HB3 MET 20 HB3 MET 20 0.011 -7.178 -5.173
163 HG3 MET 20 HG3 MET 20 -1.700 -9.216 -6.673
164 HE1 MET 20 HE1 MET 20 -1.559 -9.079 -9.420
165 HE2 MET 20 HE2 MET 20 -0.174 -8.246 -10.166
166 HE3 MET 20 HE3 MET 20 0.102 -9.571 -9.009
167 H LEU 21 H LEU 21 1.456 -8.564 -2.849
168 HA LEU 21 HA LEU 21 2.544 -10.887 -4.252
169 HB3 LEU 21 HB3 LEU 21 3.549 -8.426 -4.096
170 HG LEU 21 HG LEU 21 3.884 -8.750 -1.538
171 HD11 LEU 21 HD11 LEU 21 5.031 -11.080 -2.183
172 HD12 LEU 21 HD12 LEU 21 6.477 -10.042 -2.209
173 HD13 LEU 21 HD13 LEU 21 5.482 -10.145 -0.737
174 HD21 LEU 21 HD21 LEU 21 6.352 -7.764 -1.928
175 HD22 LEU 21 HD22 LEU 21 5.717 -7.623 -3.585
176 HD23 LEU 21 HD23 LEU 21 4.866 -6.834 -2.235
177 H ILE 22 H ILE 22 1.868 -9.490 -1.020
178 HA ILE 22 HA ILE 22 3.171 -11.496 0.442
179 HB ILE 22 HB ILE 22 0.777 -9.925 1.365
180 HG13 ILE 22 HG13 ILE 22 1.969 -8.178 0.438
181 HG21 ILE 22 HG21 ILE 22 1.639 -11.637 2.887
182 HG22 ILE 22 HG22 ILE 22 3.262 -10.910 2.797
183 HG23 ILE 22 HG23 ILE 22 1.917 -9.997 3.524
184 HD11 ILE 22 HD11 ILE 22 3.190 -7.045 2.246
185 HD12 ILE 22 HD12 ILE 22 1.757 -7.862 2.917
186 HD13 ILE 22 HD13 ILE 22 3.371 -8.586 3.119
187 H PHE 23 H PHE 23 -0.319 -11.063 -0.468
188 HA PHE 23 HA PHE 23 -1.080 -13.545 0.612
189 HB3 PHE 23 HB3 PHE 23 -2.335 -11.957 -1.698
190 HD1 PHE 23 HD1 PHE 23 -2.501 -14.846 0.192
191 HD2 PHE 23 HD2 PHE 23 -4.942 -11.607 -1.055
192 HE1 PHE 23 HE1 PHE 23 -4.549 -16.256 0.537
193 HE2 PHE 23 HE2 PHE 23 -6.989 -13.017 -0.710
194 HZ PHE 23 HZ PHE 23 -6.768 -15.324 0.083
195 H MET 24 H MET 24 0.892 -12.854 -2.043
196 HA MET 24 HA MET 24 -0.099 -15.140 -3.537
197 HB3 MET 24 HB3 MET 24 2.085 -13.970 -4.917
198 HG3 MET 24 HG3 MET 24 -0.351 -12.654 -5.719
199 HE1 MET 24 HE1 MET 24 0.486 -16.516 -7.869
200 HE2 MET 24 HE2 MET 24 0.005 -16.340 -6.164
201 HE3 MET 24 HE3 MET 24 -1.082 -15.780 -7.457
202 H THR 25 H THR 25 3.047 -13.711 -2.386
203 HA THR 25 HA THR 25 4.619 -15.930 -2.912
204 HB THR 25 HB THR 25 6.077 -14.829 -1.089
205 HG1 THR 25 HG1 THR 25 4.914 -13.439 0.180
206 HG21 THR 25 HG21 THR 25 6.293 -12.625 -2.283
207 HG22 THR 25 HG22 THR 25 6.264 -13.992 -3.423
208 HG23 THR 25 HG23 THR 25 4.808 -12.996 -3.191
209 H TYR 26 H TYR 26 2.581 -15.172 -0.051
210 HA TYR 26 HA TYR 26 3.479 -17.548 1.300
211 HB3 TYR 26 HB3 TYR 26 1.437 -16.699 2.774
212 HD1 TYR 26 HD1 TYR 26 4.637 -15.655 1.457
213 HD2 TYR 26 HD2 TYR 26 1.752 -14.887 4.522
214 HE1 TYR 26 HE1 TYR 26 6.397 -14.417 2.814
215 HE2 TYR 26 HE2 TYR 26 3.520 -13.652 5.868
216 HH TYR 26 HH TYR 26 6.654 -12.941 4.500
217 H ASN 27 H ASN 27 1.742 -17.297 -1.428
218 HA ASN 27 HA ASN 27 -0.228 -19.253 -0.539
219 HB3 ASN 27 HB3 ASN 27 -1.114 -18.539 -3.029
220 HD21 ASN 27 HD22 ASN 27 -0.615 -17.025 0.142
221 HD22 ASN 27 HD21 ASN 27 -2.282 -16.754 0.527
222 H LYS 28 H LYS 28 2.131 -18.265 -3.102
223 HA LYS 28 HA LYS 28 1.859 -20.535 -4.706
224 HB3 LYS 28 HB3 LYS 28 2.860 -18.497 -5.531
225 HG3 LYS 28 HG3 LYS 28 4.092 -18.218 -3.130
226 HD3 LYS 28 HD3 LYS 28 5.704 -20.158 -4.417
227 HE3 LYS 28 HE3 LYS 28 7.823 -18.355 -4.171
228 HZ1 LYS 28 HZ1 LYS 28 6.446 -19.097 -6.656
229 HZ2 LYS 28 HZ2 LYS 28 8.020 -18.695 -6.494
230 HZ3 LYS 28 HZ3 LYS 28 7.462 -20.086 -5.847
231 H LYS 29 H LYS 29 4.020 -19.773 -1.916
232 HA LYS 29 HA LYS 29 5.712 -21.857 -1.953
233 HB3 LYS 29 HB3 LYS 29 4.366 -21.134 0.635
234 HG3 LYS 29 HG3 LYS 29 7.097 -21.924 -0.364
235 HD3 LYS 29 HD3 LYS 29 6.900 -19.564 1.051
236 HE3 LYS 29 HE3 LYS 29 5.927 -20.925 2.998
237 HZ1 LYS 29 HZ1 LYS 29 7.485 -22.795 2.629
238 HZ2 LYS 29 HZ2 LYS 29 8.694 -21.871 3.224
239 HZ3 LYS 29 HZ3 LYS 29 7.428 -22.270 4.175
Start of MODEL 13
1 H1 LYS 1 H1 LYS 1 -3.228 18.923 12.943
2 HA LYS 1 HA LYS 1 -1.773 18.127 10.636
3 HB3 LYS 1 HB3 LYS 1 -1.654 16.778 13.330
4 HG3 LYS 1 HG3 LYS 1 0.359 17.465 11.139
5 HD3 LYS 1 HD3 LYS 1 0.717 16.876 14.008
6 HE3 LYS 1 HE3 LYS 1 2.868 15.447 13.126
7 HZ1 LYS 1 HZ1 LYS 1 1.188 14.862 14.827
8 HZ2 LYS 1 HZ2 LYS 1 0.262 14.205 13.653
9 HZ3 LYS 1 HZ3 LYS 1 1.740 13.585 13.972
10 H HIS 2 H HIS 2 -3.364 17.263 9.192
11 HA HIS 2 HA HIS 2 -4.188 14.577 10.001
12 HB3 HIS 2 HB3 HIS 2 -6.110 15.531 8.169
13 HD1 HIS 2 HD1 HIS 2 -6.414 13.021 9.487
14 HD2 HIS 2 HD2 HIS 2 -7.471 16.535 11.519
15 HE1 HIS 2 HE1 HIS 2 -7.987 12.314 11.366
16 HE2 HIS 2 HE2 HIS 2 -8.560 14.508 12.613
17 H LEU 3 H LEU 3 -1.869 15.815 8.442
18 HA LEU 3 HA LEU 3 -2.046 15.652 5.771
19 HB3 LEU 3 HB3 LEU 3 0.300 14.798 5.827
20 HG LEU 3 HG LEU 3 0.347 16.787 8.014
21 HD11 LEU 3 HD11 LEU 3 1.900 17.919 6.455
22 HD12 LEU 3 HD12 LEU 3 2.363 16.235 6.802
23 HD13 LEU 3 HD13 LEU 3 1.586 16.644 5.254
24 HD21 LEU 3 HD21 LEU 3 -1.717 17.502 7.010
25 HD22 LEU 3 HD22 LEU 3 -0.424 18.630 6.534
26 HD23 LEU 3 HD23 LEU 3 -1.009 17.409 5.379
27 H LEU 4 H LEU 4 -2.241 12.960 8.100
28 HA LEU 4 HA LEU 4 -1.775 10.801 6.552
29 HB3 LEU 4 HB3 LEU 4 -3.696 9.756 7.929
30 HG LEU 4 HG LEU 4 -2.451 9.635 9.946
31 HD11 LEU 4 HD11 LEU 4 -0.420 8.794 9.197
32 HD12 LEU 4 HD12 LEU 4 -1.451 8.713 7.748
33 HD13 LEU 4 HD13 LEU 4 -0.260 10.025 7.922
34 HD21 LEU 4 HD21 LEU 4 -1.022 11.203 10.812
35 HD22 LEU 4 HD22 LEU 4 -0.568 11.842 9.214
36 HD23 LEU 4 HD23 LEU 4 -2.150 12.253 9.920
37 H GLN 5 H GLN 5 -4.547 13.041 6.394
38 HA GLN 5 HA GLN 5 -6.411 11.719 5.101
39 HB3 GLN 5 HB3 GLN 5 -5.334 14.438 4.232
40 HG3 GLN 5 HG3 GLN 5 -8.251 13.776 4.208
41 HE21 GLN 5 HE22 GLN 5 -9.334 15.184 2.957
42 HE22 GLN 5 HE21 GLN 5 -8.620 16.499 2.084
43 H THR 6 H THR 6 -3.181 12.466 3.831
44 HA THR 6 HA THR 6 -3.947 11.431 1.199
45 HB THR 6 HB THR 6 -2.621 13.649 1.653
46 HG1 THR 6 HG1 THR 6 -2.742 12.622 -0.436
47 HG21 THR 6 HG21 THR 6 -0.161 13.303 1.752
48 HG22 THR 6 HG22 THR 6 -0.923 12.660 3.225
49 HG23 THR 6 HG23 THR 6 -0.406 11.550 1.934
50 H VAL 7 H VAL 7 -1.503 10.902 3.820
51 HA VAL 7 HA VAL 7 -0.196 8.777 2.777
52 HB VAL 7 HB VAL 7 -1.107 9.014 5.647
53 HG11 VAL 7 HG11 VAL 7 1.247 7.670 4.298
54 HG12 VAL 7 HG12 VAL 7 1.215 8.036 6.040
55 HG13 VAL 7 HG13 VAL 7 0.000 6.940 5.338
56 HG21 VAL 7 HG21 VAL 7 1.206 10.249 5.796
57 HG22 VAL 7 HG22 VAL 7 0.911 10.591 4.074
58 HG23 VAL 7 HG23 VAL 7 -0.255 11.138 5.303
59 H LEU 8 H LEU 8 -3.454 8.838 4.293
60 HA LEU 8 HA LEU 8 -3.874 6.138 4.536
61 HB3 LEU 8 HB3 LEU 8 -6.222 6.658 4.491
62 HG LEU 8 HG LEU 8 -4.409 8.498 5.942
63 HD11 LEU 8 HD11 LEU 8 -6.507 9.759 4.777
64 HD12 LEU 8 HD12 LEU 8 -7.253 9.216 6.299
65 HD13 LEU 8 HD13 LEU 8 -5.791 10.229 6.338
66 HD21 LEU 8 HD21 LEU 8 -5.569 6.193 6.601
67 HD22 LEU 8 HD22 LEU 8 -5.220 7.463 7.798
68 HD23 LEU 8 HD23 LEU 8 -6.862 7.294 7.131
69 H HIS 9 H HIS 9 -4.392 8.266 1.652
70 HA HIS 9 HA HIS 9 -5.280 6.121 0.048
71 HB3 HIS 9 HB3 HIS 9 -4.618 7.902 -1.791
72 HD1 HIS 9 HD1 HIS 9 -6.961 7.393 -2.638
73 HD2 HIS 9 HD2 HIS 9 -6.949 9.324 1.085
74 HE1 HIS 9 HE1 HIS 9 -9.387 8.013 -2.146
75 HE2 HIS 9 HE2 HIS 9 -9.323 9.147 0.179
76 H ILE 10 H ILE 10 -2.111 7.620 0.768
77 HA ILE 10 HA ILE 10 -0.694 6.402 -1.314
78 HB ILE 10 HB ILE 10 0.196 7.371 1.404
79 HG13 ILE 10 HG13 ILE 10 0.827 9.416 0.250
80 HG21 ILE 10 HG21 ILE 10 2.038 7.157 -0.945
81 HG22 ILE 10 HG22 ILE 10 2.395 7.137 0.798
82 HG23 ILE 10 HG23 ILE 10 1.688 5.702 0.019
83 HD11 ILE 10 HD11 ILE 10 -0.667 9.111 -2.191
84 HD12 ILE 10 HD12 ILE 10 1.063 9.482 -1.997
85 HD13 ILE 10 HD13 ILE 10 0.522 7.790 -2.100
86 H ILE 11 H ILE 11 -0.909 5.476 2.199
87 HA ILE 11 HA ILE 11 0.401 3.048 1.874
88 HB ILE 11 HB ILE 11 -1.375 4.285 3.919
89 HG13 ILE 11 HG13 ILE 11 1.406 3.082 4.051
90 HG21 ILE 11 HG21 ILE 11 -0.515 1.381 4.040
91 HG22 ILE 11 HG22 ILE 11 -1.349 2.302 5.315
92 HG23 ILE 11 HG23 ILE 11 -2.178 1.959 3.777
93 HD11 ILE 11 HD11 ILE 11 0.362 5.903 3.617
94 HD12 ILE 11 HD12 ILE 11 1.964 5.600 4.330
95 HD13 ILE 11 HD13 ILE 11 1.600 5.026 2.685
96 H GLN 12 H GLN 12 -2.712 4.089 0.794
97 HA GLN 12 HA GLN 12 -4.018 1.616 0.978
98 HB3 GLN 12 HB3 GLN 12 -4.859 3.401 -1.231
99 HG3 GLN 12 HG3 GLN 12 -6.221 2.556 1.369
100 HE21 GLN 12 HE22 GLN 12 -7.154 2.606 -2.034
101 HE22 GLN 12 HE21 GLN 12 -8.434 3.765 -1.910
102 H VAL 13 H VAL 13 -2.412 3.350 -1.786
103 HA VAL 13 HA VAL 13 -2.769 1.311 -3.642
104 HB VAL 13 HB VAL 13 -0.606 3.413 -3.412
105 HG11 VAL 13 HG11 VAL 13 -1.428 1.598 -5.687
106 HG12 VAL 13 HG12 VAL 13 -0.571 3.134 -5.957
107 HG13 VAL 13 HG13 VAL 13 0.190 1.847 -4.992
108 HG21 VAL 13 HG21 VAL 13 -2.174 4.911 -3.921
109 HG22 VAL 13 HG22 VAL 13 -2.565 4.008 -5.405
110 HG23 VAL 13 HG23 VAL 13 -3.414 3.633 -3.885
111 H VAL 14 H VAL 14 0.343 2.176 -1.967
112 HA VAL 14 HA VAL 14 1.860 0.107 -2.621
113 HB VAL 14 HB VAL 14 2.291 0.313 0.122
114 HG11 VAL 14 HG11 VAL 14 4.213 1.548 -0.486
115 HG12 VAL 14 HG12 VAL 14 3.871 0.497 -1.882
116 HG13 VAL 14 HG13 VAL 14 3.427 2.220 -1.933
117 HG21 VAL 14 HG21 VAL 14 1.584 3.082 -0.852
118 HG22 VAL 14 HG22 VAL 14 0.398 2.062 -0.002
119 HG23 VAL 14 HG23 VAL 14 1.914 2.526 0.805
120 H ILE 15 H ILE 15 -0.275 -0.025 0.325
121 HA ILE 15 HA ILE 15 0.057 -2.666 0.885
122 HB ILE 15 HB ILE 15 -2.239 -0.770 1.251
123 HG13 ILE 15 HG13 ILE 15 -0.349 -0.275 2.612
124 HG21 ILE 15 HG21 ILE 15 -2.666 -2.942 2.974
125 HG22 ILE 15 HG22 ILE 15 -3.668 -2.434 1.593
126 HG23 ILE 15 HG23 ILE 15 -2.392 -3.654 1.365
127 HD11 ILE 15 HD11 ILE 15 -1.898 -1.984 4.545
128 HD12 ILE 15 HD12 ILE 15 -1.362 -0.293 4.704
129 HD13 ILE 15 HD13 ILE 15 -2.771 -0.690 3.691
130 H SER 16 H SER 16 -2.312 -1.173 -1.410
131 HA SER 16 HA SER 16 -3.562 -3.525 -2.091
132 HB3 SER 16 HB3 SER 16 -3.376 -1.749 -4.383
133 HG SER 16 HG SER 16 -5.624 -1.460 -3.908
134 H TYR 17 H TYR 17 -0.418 -2.187 -2.998
135 HA TYR 17 HA TYR 17 -0.137 -4.053 -5.211
136 HB3 TYR 17 HB3 TYR 17 1.502 -1.816 -3.881
137 HD1 TYR 17 HD1 TYR 17 3.372 -3.709 -3.705
138 HD2 TYR 17 HD2 TYR 17 1.956 -2.009 -7.367
139 HE1 TYR 17 HE1 TYR 17 5.517 -4.416 -4.871
140 HE2 TYR 17 HE2 TYR 17 4.106 -2.722 -8.521
141 HH TYR 17 HH TYR 17 5.847 -4.706 -8.013
142 H PHE 18 H PHE 18 0.557 -3.789 -1.795
143 HA PHE 18 HA PHE 18 2.730 -5.697 -1.951
144 HB3 PHE 18 HB3 PHE 18 2.436 -5.340 0.652
145 HD1 PHE 18 HD1 PHE 18 4.467 -4.837 -1.481
146 HD2 PHE 18 HD2 PHE 18 2.242 -2.140 0.923
147 HE1 PHE 18 HE1 PHE 18 6.285 -3.124 -1.722
148 HE2 PHE 18 HE2 PHE 18 4.059 -0.425 0.683
149 HZ PHE 18 HZ PHE 18 6.060 -0.938 -0.637
150 H LEU 19 H LEU 19 -0.654 -5.448 -0.697
151 HA LEU 19 HA LEU 19 -0.817 -7.884 0.545
152 HB3 LEU 19 HB3 LEU 19 -3.005 -6.569 -1.066
153 HG LEU 19 HG LEU 19 -4.188 -7.267 1.234
154 HD11 LEU 19 HD11 LEU 19 -3.890 -8.811 -1.335
155 HD12 LEU 19 HD12 LEU 19 -4.946 -9.384 -0.022
156 HD13 LEU 19 HD13 LEU 19 -5.243 -7.800 -0.776
157 HD21 LEU 19 HD21 LEU 19 -2.298 -8.371 2.230
158 HD22 LEU 19 HD22 LEU 19 -3.527 -9.593 1.823
159 HD23 LEU 19 HD23 LEU 19 -2.085 -9.403 0.797
160 H MET 20 H MET 20 -1.011 -7.074 -2.946
161 HA MET 20 HA MET 20 -1.807 -9.666 -3.691
162 HB3 MET 20 HB3 MET 20 -2.148 -7.599 -5.084
163 HG3 MET 20 HG3 MET 20 0.889 -7.658 -5.105
164 HE1 MET 20 HE1 MET 20 2.268 -6.060 -7.386
165 HE2 MET 20 HE2 MET 20 2.127 -7.713 -6.742
166 HE3 MET 20 HE3 MET 20 1.827 -7.402 -8.468
167 H LEU 21 H LEU 21 1.035 -8.646 -2.280
168 HA LEU 21 HA LEU 21 2.626 -10.598 -3.793
169 HB3 LEU 21 HB3 LEU 21 4.570 -9.328 -2.730
170 HG LEU 21 HG LEU 21 2.833 -7.942 -4.788
171 HD11 LEU 21 HD11 LEU 21 5.731 -7.291 -4.249
172 HD12 LEU 21 HD12 LEU 21 4.547 -6.403 -5.240
173 HD13 LEU 21 HD13 LEU 21 4.395 -6.412 -3.467
174 HD21 LEU 21 HD21 LEU 21 4.935 -8.758 -6.185
175 HD22 LEU 21 HD22 LEU 21 5.015 -9.976 -4.890
176 HD23 LEU 21 HD23 LEU 21 3.539 -9.818 -5.875
177 H ILE 22 H ILE 22 1.344 -9.550 -0.655
178 HA ILE 22 HA ILE 22 2.943 -11.098 0.999
179 HB ILE 22 HB ILE 22 0.035 -10.359 1.343
180 HG13 ILE 22 HG13 ILE 22 0.605 -8.241 1.837
181 HG21 ILE 22 HG21 ILE 22 2.177 -11.199 3.308
182 HG22 ILE 22 HG22 ILE 22 0.653 -10.411 3.780
183 HG23 ILE 22 HG23 ILE 22 0.621 -11.995 2.969
184 HD11 ILE 22 HD11 ILE 22 1.795 -8.576 3.872
185 HD12 ILE 22 HD12 ILE 22 3.112 -9.452 3.054
186 HD13 ILE 22 HD13 ILE 22 2.941 -7.694 2.835
187 H PHE 23 H PHE 23 -0.502 -11.940 0.266
188 HA PHE 23 HA PHE 23 -0.237 -14.595 0.910
189 HB3 PHE 23 HB3 PHE 23 -2.263 -14.676 -0.841
190 HD1 PHE 23 HD1 PHE 23 -2.142 -11.554 1.164
191 HD2 PHE 23 HD2 PHE 23 -3.541 -15.553 0.917
192 HE1 PHE 23 HE1 PHE 23 -3.572 -11.179 3.192
193 HE2 PHE 23 HE2 PHE 23 -4.972 -15.177 2.946
194 HZ PHE 23 HZ PHE 23 -4.969 -12.995 4.060
195 H MET 24 H MET 24 0.053 -13.000 -2.334
196 HA MET 24 HA MET 24 0.337 -15.270 -3.816
197 HB3 MET 24 HB3 MET 24 1.923 -13.563 -5.200
198 HG3 MET 24 HG3 MET 24 -0.528 -14.204 -5.663
199 HE1 MET 24 HE1 MET 24 -2.170 -12.050 -6.529
200 HE2 MET 24 HE2 MET 24 -3.494 -11.821 -5.362
201 HE3 MET 24 HE3 MET 24 -2.222 -10.586 -5.517
202 H THR 25 H THR 25 3.119 -13.131 -2.840
203 HA THR 25 HA THR 25 5.115 -14.919 -3.479
204 HB THR 25 HB THR 25 5.159 -12.930 -1.157
205 HG1 THR 25 HG1 THR 25 5.612 -11.440 -3.022
206 HG21 THR 25 HG21 THR 25 7.416 -13.241 -1.321
207 HG22 THR 25 HG22 THR 25 7.175 -14.420 -2.633
208 HG23 THR 25 HG23 THR 25 7.336 -12.688 -3.012
209 H TYR 26 H TYR 26 3.027 -14.807 -0.596
210 HA TYR 26 HA TYR 26 4.633 -16.729 0.805
211 HB3 TYR 26 HB3 TYR 26 2.420 -16.630 2.235
212 HD1 TYR 26 HD1 TYR 26 5.084 -14.608 0.964
213 HD2 TYR 26 HD2 TYR 26 1.893 -14.645 3.813
214 HE1 TYR 26 HE1 TYR 26 6.214 -12.739 2.266
215 HE2 TYR 26 HE2 TYR 26 3.033 -12.776 5.105
216 HH TYR 26 HH TYR 26 5.971 -12.070 5.032
217 H ASN 27 H ASN 27 2.964 -17.095 -1.971
218 HA ASN 27 HA ASN 27 1.132 -19.083 -1.452
219 HB3 ASN 27 HB3 ASN 27 1.275 -17.943 -3.639
220 HD21 ASN 27 HD22 ASN 27 2.502 -19.376 -5.824
221 HD22 ASN 27 HD21 ASN 27 4.154 -18.868 -5.936
222 H LYS 28 H LYS 28 4.655 -19.178 -2.337
223 HA LYS 28 HA LYS 28 6.083 -20.896 -2.482
224 HB3 LYS 28 HB3 LYS 28 6.747 -21.590 -0.386
225 HG3 LYS 28 HG3 LYS 28 4.743 -19.364 0.223
226 HD3 LYS 28 HD3 LYS 28 7.050 -19.054 1.788
227 HE3 LYS 28 HE3 LYS 28 4.659 -20.562 2.862
228 HZ1 LYS 28 HZ1 LYS 28 5.772 -18.072 3.865
229 HZ2 LYS 28 HZ2 LYS 28 5.087 -19.304 4.690
230 HZ3 LYS 28 HZ3 LYS 28 6.606 -19.454 4.109
231 H LYS 29 H LYS 29 4.911 -21.920 -4.289
232 HA LYS 29 HA LYS 29 3.686 -23.535 -5.243
233 HB3 LYS 29 HB3 LYS 29 5.912 -24.517 -4.883
234 HG3 LYS 29 HG3 LYS 29 5.769 -24.505 -2.337
235 HD3 LYS 29 HD3 LYS 29 3.602 -26.416 -2.982
236 HE3 LYS 29 HE3 LYS 29 5.992 -27.356 -1.537
237 HZ1 LYS 29 HZ1 LYS 29 4.819 -28.258 0.285
238 HZ2 LYS 29 HZ2 LYS 29 4.542 -26.649 0.305
239 HZ3 LYS 29 HZ3 LYS 29 3.384 -27.670 -0.226
Start of MODEL 14
1 H1 LYS 1 H1 LYS 1 -6.177 19.756 7.602
2 HA LYS 1 HA LYS 1 -4.720 18.543 9.812
3 HB3 LYS 1 HB3 LYS 1 -7.278 18.352 10.747
4 HG3 LYS 1 HG3 LYS 1 -6.398 20.623 12.016
5 HD3 LYS 1 HD3 LYS 1 -4.727 18.361 12.817
6 HE3 LYS 1 HE3 LYS 1 -7.277 19.010 14.243
7 HZ1 LYS 1 HZ1 LYS 1 -4.546 18.359 14.820
8 HZ2 LYS 1 HZ2 LYS 1 -5.222 19.428 15.854
9 HZ3 LYS 1 HZ3 LYS 1 -5.906 17.962 15.631
10 H HIS 2 H HIS 2 -5.361 16.287 10.186
11 HA HIS 2 HA HIS 2 -5.968 14.276 9.544
12 HB3 HIS 2 HB3 HIS 2 -7.825 14.565 7.450
13 HD1 HIS 2 HD1 HIS 2 -7.473 14.505 11.249
14 HD2 HIS 2 HD2 HIS 2 -9.973 13.008 8.231
15 HE1 HIS 2 HE1 HIS 2 -9.069 12.872 12.387
16 HE2 HIS 2 HE2 HIS 2 -10.616 12.026 10.492
17 H LEU 3 H LEU 3 -3.886 16.038 8.168
18 HA LEU 3 HA LEU 3 -3.660 15.739 5.518
19 HB3 LEU 3 HB3 LEU 3 -1.338 15.912 5.773
20 HG LEU 3 HG LEU 3 -1.009 17.687 7.163
21 HD11 LEU 3 HD11 LEU 3 -3.919 17.904 7.671
22 HD12 LEU 3 HD12 LEU 3 -2.794 19.040 6.890
23 HD13 LEU 3 HD13 LEU 3 -3.433 17.653 5.977
24 HD21 LEU 3 HD21 LEU 3 -2.597 17.669 9.399
25 HD22 LEU 3 HD22 LEU 3 -2.229 15.941 9.182
26 HD23 LEU 3 HD23 LEU 3 -0.905 17.121 9.324
27 H LEU 4 H LEU 4 -3.328 13.167 7.991
28 HA LEU 4 HA LEU 4 -2.172 11.164 6.645
29 HB3 LEU 4 HB3 LEU 4 -3.917 9.687 7.856
30 HG LEU 4 HG LEU 4 -3.012 10.099 10.075
31 HD11 LEU 4 HD11 LEU 4 -1.665 8.930 8.294
32 HD12 LEU 4 HD12 LEU 4 -0.779 10.457 8.067
33 HD13 LEU 4 HD13 LEU 4 -0.727 9.623 9.639
34 HD21 LEU 4 HD21 LEU 4 -3.131 12.608 9.910
35 HD22 LEU 4 HD22 LEU 4 -1.649 11.961 10.653
36 HD23 LEU 4 HD23 LEU 4 -1.619 12.548 8.973
37 H GLN 5 H GLN 5 -5.357 12.609 5.990
38 HA GLN 5 HA GLN 5 -6.651 10.791 4.595
39 HB3 GLN 5 HB3 GLN 5 -6.182 13.669 3.700
40 HG3 GLN 5 HG3 GLN 5 -8.847 12.642 3.230
41 HE21 GLN 5 HE22 GLN 5 -9.343 12.851 0.869
42 HE22 GLN 5 HE21 GLN 5 -8.552 14.107 -0.022
43 H THR 6 H THR 6 -3.566 12.276 3.671
44 HA THR 6 HA THR 6 -3.696 11.200 0.983
45 HB THR 6 HB THR 6 -2.683 13.465 1.661
46 HG1 THR 6 HG1 THR 6 -1.156 11.287 0.427
47 HG21 THR 6 HG21 THR 6 -0.388 11.652 2.569
48 HG22 THR 6 HG22 THR 6 -0.376 13.431 2.507
49 HG23 THR 6 HG23 THR 6 -1.409 12.587 3.687
50 H VAL 7 H VAL 7 -1.675 10.701 3.953
51 HA VAL 7 HA VAL 7 -0.205 8.593 2.911
52 HB VAL 7 HB VAL 7 -1.030 8.921 5.794
53 HG11 VAL 7 HG11 VAL 7 0.263 6.925 5.360
54 HG12 VAL 7 HG12 VAL 7 1.474 7.856 4.448
55 HG13 VAL 7 HG13 VAL 7 1.295 8.108 6.201
56 HG21 VAL 7 HG21 VAL 7 -0.389 11.101 5.378
57 HG22 VAL 7 HG22 VAL 7 1.175 10.364 5.803
58 HG23 VAL 7 HG23 VAL 7 0.755 10.638 4.095
59 H LEU 8 H LEU 8 -3.443 8.722 4.447
60 HA LEU 8 HA LEU 8 -3.727 5.947 4.754
61 HB3 LEU 8 HB3 LEU 8 -5.121 8.209 5.462
62 HG LEU 8 HG LEU 8 -6.370 7.861 3.176
63 HD11 LEU 8 HD11 LEU 8 -6.685 5.327 4.056
64 HD12 LEU 8 HD12 LEU 8 -8.193 6.058 4.656
65 HD13 LEU 8 HD13 LEU 8 -7.796 6.133 2.922
66 HD21 LEU 8 HD21 LEU 8 -8.449 8.045 5.201
67 HD22 LEU 8 HD22 LEU 8 -7.016 9.014 5.623
68 HD23 LEU 8 HD23 LEU 8 -7.840 9.273 4.066
69 H HIS 9 H HIS 9 -3.925 8.117 1.987
70 HA HIS 9 HA HIS 9 -5.296 6.094 0.428
71 HB3 HIS 9 HB3 HIS 9 -4.287 8.765 -0.554
72 HD1 HIS 9 HD1 HIS 9 -7.753 8.602 -1.138
73 HD2 HIS 9 HD2 HIS 9 -4.463 6.649 -2.858
74 HE1 HIS 9 HE1 HIS 9 -8.528 7.776 -3.424
75 HE2 HIS 9 HE2 HIS 9 -6.448 6.632 -4.456
76 H ILE 10 H ILE 10 -2.093 7.632 0.861
77 HA ILE 10 HA ILE 10 -0.935 6.478 -1.439
78 HB ILE 10 HB ILE 10 0.175 7.686 1.087
79 HG13 ILE 10 HG13 ILE 10 -1.025 9.146 -0.560
80 HG21 ILE 10 HG21 ILE 10 1.570 6.193 -1.069
81 HG22 ILE 10 HG22 ILE 10 2.300 7.733 -0.555
82 HG23 ILE 10 HG23 ILE 10 2.012 6.443 0.638
83 HD11 ILE 10 HD11 ILE 10 0.598 10.886 -0.471
84 HD12 ILE 10 HD12 ILE 10 0.992 9.850 0.923
85 HD13 ILE 10 HD13 ILE 10 1.956 9.739 -0.569
86 H ILE 11 H ILE 11 -0.732 5.614 2.087
87 HA ILE 11 HA ILE 11 0.709 3.270 1.671
88 HB ILE 11 HB ILE 11 -0.941 4.431 3.861
89 HG13 ILE 11 HG13 ILE 11 1.914 3.415 3.740
90 HG21 ILE 11 HG21 ILE 11 -0.569 2.458 5.276
91 HG22 ILE 11 HG22 ILE 11 -1.632 2.098 3.895
92 HG23 ILE 11 HG23 ILE 11 0.069 1.573 3.868
93 HD11 ILE 11 HD11 ILE 11 2.431 5.889 3.823
94 HD12 ILE 11 HD12 ILE 11 1.677 5.368 2.297
95 HD13 ILE 11 HD13 ILE 11 0.706 6.210 3.529
96 H GLN 12 H GLN 12 -2.559 4.091 0.894
97 HA GLN 12 HA GLN 12 -3.674 1.545 1.230
98 HB3 GLN 12 HB3 GLN 12 -4.873 3.178 -0.911
99 HG3 GLN 12 HG3 GLN 12 -5.921 2.594 1.888
100 HE21 GLN 12 HE22 GLN 12 -7.920 1.159 -0.065
101 HE22 GLN 12 HE21 GLN 12 -9.004 2.425 -0.538
102 H VAL 13 H VAL 13 -2.428 3.321 -1.686
103 HA VAL 13 HA VAL 13 -2.840 1.235 -3.482
104 HB VAL 13 HB VAL 13 -0.808 3.476 -3.469
105 HG11 VAL 13 HG11 VAL 13 -0.737 1.301 -5.119
106 HG12 VAL 13 HG12 VAL 13 -1.774 2.408 -6.050
107 HG13 VAL 13 HG13 VAL 13 -0.143 2.922 -5.554
108 HG21 VAL 13 HG21 VAL 13 -3.401 3.905 -3.355
109 HG22 VAL 13 HG22 VAL 13 -2.379 4.842 -4.471
110 HG23 VAL 13 HG23 VAL 13 -3.342 3.475 -5.081
111 H VAL 14 H VAL 14 0.351 2.307 -2.100
112 HA VAL 14 HA VAL 14 1.919 0.312 -2.874
113 HB VAL 14 HB VAL 14 2.602 0.608 -0.190
114 HG11 VAL 14 HG11 VAL 14 4.458 1.613 -1.045
115 HG12 VAL 14 HG12 VAL 14 3.789 0.985 -2.572
116 HG13 VAL 14 HG13 VAL 14 3.524 2.686 -2.115
117 HG21 VAL 14 HG21 VAL 14 0.606 2.249 -0.169
118 HG22 VAL 14 HG22 VAL 14 2.163 2.810 0.488
119 HG23 VAL 14 HG23 VAL 14 1.651 3.311 -1.142
120 H ILE 15 H ILE 15 0.124 0.128 0.287
121 HA ILE 15 HA ILE 15 0.650 -2.526 0.758
122 HB ILE 15 HB ILE 15 -1.641 -0.741 1.552
123 HG13 ILE 15 HG13 ILE 15 0.349 0.037 2.524
124 HG21 ILE 15 HG21 ILE 15 -2.485 -3.013 1.611
125 HG22 ILE 15 HG22 ILE 15 -1.054 -3.552 2.522
126 HG23 ILE 15 HG23 ILE 15 -2.209 -2.420 3.266
127 HD11 ILE 15 HD11 ILE 15 -0.726 -1.988 4.537
128 HD12 ILE 15 HD12 ILE 15 0.126 -0.467 4.898
129 HD13 ILE 15 HD13 ILE 15 -1.504 -0.427 4.184
130 H SER 16 H SER 16 -1.994 -1.004 -1.162
131 HA SER 16 HA SER 16 -3.359 -3.379 -1.616
132 HB3 SER 16 HB3 SER 16 -3.277 -0.658 -2.909
133 HG SER 16 HG SER 16 -5.192 -2.504 -3.883
134 H TYR 17 H TYR 17 -0.351 -2.123 -2.844
135 HA TYR 17 HA TYR 17 -0.465 -3.866 -5.192
136 HB3 TYR 17 HB3 TYR 17 1.360 -1.637 -4.114
137 HD1 TYR 17 HD1 TYR 17 3.245 -3.508 -4.352
138 HD2 TYR 17 HD2 TYR 17 1.155 -1.718 -7.628
139 HE1 TYR 17 HE1 TYR 17 5.138 -4.151 -5.921
140 HE2 TYR 17 HE2 TYR 17 3.055 -2.366 -9.186
141 HH TYR 17 HH TYR 17 4.821 -3.813 -9.361
142 H PHE 18 H PHE 18 0.837 -3.614 -1.947
143 HA PHE 18 HA PHE 18 3.000 -5.439 -2.484
144 HB3 PHE 18 HB3 PHE 18 2.884 -5.239 0.212
145 HD1 PHE 18 HD2 PHE 18 5.101 -5.085 -1.403
146 HD2 PHE 18 HD1 PHE 18 2.709 -1.832 -0.095
147 HE1 PHE 18 HE2 PHE 18 7.042 -3.526 -1.726
148 HE2 PHE 18 HE1 PHE 18 4.650 -0.275 -0.418
149 HZ PHE 18 HZ PHE 18 6.794 -1.140 -1.229
150 H LEU 19 H LEU 19 -0.071 -5.438 -0.538
151 HA LEU 19 HA LEU 19 0.044 -7.954 0.462
152 HB3 LEU 19 HB3 LEU 19 -2.595 -7.179 -0.574
153 HG LEU 19 HG LEU 19 -3.363 -7.464 1.621
154 HD11 LEU 19 HD11 LEU 19 -3.078 -9.632 1.024
155 HD12 LEU 19 HD12 LEU 19 -1.332 -9.445 0.729
156 HD13 LEU 19 HD13 LEU 19 -1.942 -9.596 2.395
157 HD21 LEU 19 HD21 LEU 19 -1.930 -7.575 3.606
158 HD22 LEU 19 HD22 LEU 19 -0.499 -7.271 2.592
159 HD23 LEU 19 HD23 LEU 19 -1.756 -6.022 2.754
160 H MET 20 H MET 20 -1.048 -6.948 -2.833
161 HA MET 20 HA MET 20 -1.962 -9.318 -3.732
162 HB3 MET 20 HB3 MET 20 -0.832 -8.420 -5.996
163 HG3 MET 20 HG3 MET 20 -2.575 -6.253 -5.037
164 HE1 MET 20 HE1 MET 20 -4.331 -9.328 -6.060
165 HE2 MET 20 HE2 MET 20 -4.192 -9.460 -7.831
166 HE3 MET 20 HE3 MET 20 -2.811 -9.895 -6.795
167 H LEU 21 H LEU 21 1.326 -8.496 -2.853
168 HA LEU 21 HA LEU 21 2.344 -10.835 -4.282
169 HB3 LEU 21 HB3 LEU 21 3.342 -8.361 -4.200
170 HG LEU 21 HG LEU 21 3.843 -8.781 -1.640
171 HD11 LEU 21 HD11 LEU 21 5.347 -10.860 -2.805
172 HD12 LEU 21 HD12 LEU 21 6.520 -9.642 -2.248
173 HD13 LEU 21 HD13 LEU 21 5.339 -10.327 -1.106
174 HD21 LEU 21 HD21 LEU 21 6.110 -7.705 -3.308
175 HD22 LEU 21 HD22 LEU 21 4.540 -6.870 -3.216
176 HD23 LEU 21 HD23 LEU 21 5.496 -7.135 -1.738
177 H ILE 22 H ILE 22 1.895 -9.386 -1.027
178 HA ILE 22 HA ILE 22 3.273 -11.369 0.381
179 HB ILE 22 HB ILE 22 0.915 -9.814 1.416
180 HG13 ILE 22 HG13 ILE 22 2.035 -8.068 0.399
181 HG21 ILE 22 HG21 ILE 22 3.485 -10.756 2.718
182 HG22 ILE 22 HG22 ILE 22 2.176 -9.847 3.510
183 HG23 ILE 22 HG23 ILE 22 1.878 -11.496 2.910
184 HD11 ILE 22 HD11 ILE 22 1.941 -7.706 2.876
185 HD12 ILE 22 HD12 ILE 22 3.565 -8.423 3.019
186 HD13 ILE 22 HD13 ILE 22 3.340 -6.898 2.129
187 H PHE 23 H PHE 23 -0.266 -10.988 -0.344
188 HA PHE 23 HA PHE 23 -0.946 -13.456 0.813
189 HB3 PHE 23 HB3 PHE 23 -2.323 -11.934 -1.474
190 HD1 PHE 23 HD1 PHE 23 -2.370 -14.779 0.487
191 HD2 PHE 23 HD2 PHE 23 -4.901 -11.594 -0.720
192 HE1 PHE 23 HE1 PHE 23 -4.384 -16.201 0.957
193 HE2 PHE 23 HE2 PHE 23 -6.915 -13.017 -0.250
194 HZ PHE 23 HZ PHE 23 -6.632 -15.304 0.583
195 H MET 24 H MET 24 0.880 -12.790 -1.958
196 HA MET 24 HA MET 24 -0.162 -15.089 -3.383
197 HB3 MET 24 HB3 MET 24 2.048 -13.961 -4.785
198 HG3 MET 24 HG3 MET 24 -0.379 -12.671 -5.635
199 HE1 MET 24 HE1 MET 24 -0.062 -16.488 -6.284
200 HE2 MET 24 HE2 MET 24 -1.339 -15.561 -7.107
201 HE3 MET 24 HE3 MET 24 -0.040 -16.320 -8.056
202 H THR 25 H THR 25 2.983 -13.745 -2.154
203 HA THR 25 HA THR 25 4.607 -15.870 -2.766
204 HB THR 25 HB THR 25 6.030 -14.941 -0.954
205 HG1 THR 25 HG1 THR 25 3.616 -13.396 -0.356
206 HG21 THR 25 HG21 THR 25 4.700 -13.263 -2.946
207 HG22 THR 25 HG22 THR 25 5.006 -12.329 -1.461
208 HG23 THR 25 HG23 THR 25 6.355 -13.127 -2.305
209 H TYR 26 H TYR 26 2.555 -15.443 0.182
210 HA TYR 26 HA TYR 26 3.325 -18.044 1.135
211 HB3 TYR 26 HB3 TYR 26 1.354 -17.318 2.763
212 HD1 TYR 26 HD1 TYR 26 4.592 -16.262 1.552
213 HD2 TYR 26 HD2 TYR 26 1.795 -15.814 4.758
214 HE1 TYR 26 HE1 TYR 26 6.437 -15.346 3.042
215 HE2 TYR 26 HE2 TYR 26 3.649 -14.900 6.237
216 HH TYR 26 HH TYR 26 6.983 -14.700 5.033
217 H ASN 27 H ASN 27 1.580 -17.297 -1.492
218 HA ASN 27 HA ASN 27 -0.372 -19.385 -0.910
219 HB3 ASN 27 HB3 ASN 27 -1.625 -18.120 -2.924
220 HD21 ASN 27 HD22 ASN 27 -0.511 -16.753 0.177
221 HD22 ASN 27 HD21 ASN 27 -2.055 -16.704 0.962
222 H LYS 28 H LYS 28 2.376 -19.686 -1.929
223 HA LYS 28 HA LYS 28 2.624 -19.694 -4.662
224 HB3 LYS 28 HB3 LYS 28 4.548 -20.019 -3.329
225 HG3 LYS 28 HG3 LYS 28 2.822 -21.761 -1.803
226 HD3 LYS 28 HD3 LYS 28 5.341 -23.030 -2.947
227 HE3 LYS 28 HE3 LYS 28 4.635 -24.821 -1.072
228 HZ1 LYS 28 HZ1 LYS 28 6.241 -22.422 -0.519
229 HZ2 LYS 28 HZ2 LYS 28 6.318 -23.824 0.316
230 HZ3 LYS 28 HZ3 LYS 28 6.782 -23.779 -1.249
231 H LYS 29 H LYS 29 0.899 -21.943 -2.504
232 HA LYS 29 HA LYS 29 -0.371 -23.709 -2.904
233 HB3 LYS 29 HB3 LYS 29 -1.548 -23.515 -5.311
234 HG3 LYS 29 HG3 LYS 29 -1.941 -22.078 -2.695
235 HD3 LYS 29 HD3 LYS 29 -3.987 -21.665 -4.865
236 HE3 LYS 29 HE3 LYS 29 -4.253 -19.496 -3.551
237 HZ1 LYS 29 HZ1 LYS 29 -5.734 -21.045 -2.854
238 HZ2 LYS 29 HZ2 LYS 29 -4.608 -22.138 -2.402
239 HZ3 LYS 29 HZ3 LYS 29 -4.909 -20.841 -1.459
Start of MODEL 15
1 H1 LYS 1 H1 LYS 1 -1.737 21.522 2.662
2 HA LYS 1 HA LYS 1 -3.541 20.331 4.117
3 HB3 LYS 1 HB3 LYS 1 -4.169 19.754 1.329
4 HG3 LYS 1 HG3 LYS 1 -5.786 20.300 3.200
5 HD3 LYS 1 HD3 LYS 1 -4.094 22.299 3.898
6 HE3 LYS 1 HE3 LYS 1 -5.885 23.391 1.753
7 HZ1 LYS 1 HZ1 LYS 1 -5.746 25.550 2.934
8 HZ2 LYS 1 HZ2 LYS 1 -6.797 24.491 3.598
9 HZ3 LYS 1 HZ3 LYS 1 -5.345 24.748 4.298
10 H HIS 2 H HIS 2 -4.840 18.278 3.954
11 HA HIS 2 HA HIS 2 -4.825 16.105 4.362
12 HB3 HIS 2 HB3 HIS 2 -5.054 15.014 2.426
13 HD1 HIS 2 HD1 HIS 2 -6.807 16.936 1.775
14 HD2 HIS 2 HD2 HIS 2 -2.975 17.326 0.113
15 HE1 HIS 2 HE1 HIS 2 -7.021 18.624 -0.125
16 HE2 HIS 2 HE2 HIS 2 -4.625 18.863 -1.073
17 H LEU 3 H LEU 3 -3.516 15.851 6.188
18 HA LEU 3 HA LEU 3 -0.660 15.543 5.746
19 HB3 LEU 3 HB3 LEU 3 -0.457 15.663 8.123
20 HG LEU 3 HG LEU 3 -1.250 17.817 6.757
21 HD11 LEU 3 HD11 LEU 3 -3.388 18.363 6.959
22 HD12 LEU 3 HD12 LEU 3 -3.680 16.903 7.935
23 HD13 LEU 3 HD13 LEU 3 -3.213 18.426 8.729
24 HD21 LEU 3 HD21 LEU 3 0.289 17.727 8.699
25 HD22 LEU 3 HD22 LEU 3 -0.787 19.145 8.718
26 HD23 LEU 3 HD23 LEU 3 -1.121 17.759 9.784
27 H LEU 4 H LEU 4 -3.421 13.717 7.245
28 HA LEU 4 HA LEU 4 -1.828 11.289 6.855
29 HB3 LEU 4 HB3 LEU 4 -3.453 10.299 8.477
30 HG LEU 4 HG LEU 4 -2.337 10.930 10.353
31 HD11 LEU 4 HD11 LEU 4 -0.650 10.507 8.609
32 HD12 LEU 4 HD12 LEU 4 -0.582 12.253 8.264
33 HD13 LEU 4 HD13 LEU 4 -0.069 11.639 9.855
34 HD21 LEU 4 HD21 LEU 4 -2.804 13.724 9.396
35 HD22 LEU 4 HD22 LEU 4 -3.181 12.968 10.961
36 HD23 LEU 4 HD23 LEU 4 -1.506 13.426 10.576
37 H GLN 5 H GLN 5 -5.099 12.755 6.384
38 HA GLN 5 HA GLN 5 -6.466 10.787 5.302
39 HB3 GLN 5 HB3 GLN 5 -7.082 12.789 3.504
40 HG3 GLN 5 HG3 GLN 5 -7.902 12.094 6.301
41 HE21 GLN 5 HE22 GLN 5 -9.694 13.216 7.264
42 HE22 GLN 5 HE21 GLN 5 -9.815 14.941 7.162
43 H THR 6 H THR 6 -3.609 12.331 3.866
44 HA THR 6 HA THR 6 -4.012 11.130 1.283
45 HB THR 6 HB THR 6 -2.872 13.362 1.730
46 HG1 THR 6 HG1 THR 6 -1.206 11.204 0.644
47 HG21 THR 6 HG21 THR 6 -1.517 12.535 3.749
48 HG22 THR 6 HG22 THR 6 -0.542 11.582 2.604
49 HG23 THR 6 HG23 THR 6 -0.556 13.358 2.496
50 H VAL 7 H VAL 7 -1.692 10.625 4.025
51 HA VAL 7 HA VAL 7 -0.316 8.525 2.966
52 HB VAL 7 HB VAL 7 -1.194 8.772 5.845
53 HG11 VAL 7 HG11 VAL 7 1.010 7.774 6.322
54 HG12 VAL 7 HG12 VAL 7 0.000 6.703 5.320
55 HG13 VAL 7 HG13 VAL 7 1.320 7.637 4.575
56 HG21 VAL 7 HG21 VAL 7 1.091 10.081 5.935
57 HG22 VAL 7 HG22 VAL 7 0.725 10.416 4.225
58 HG23 VAL 7 HG23 VAL 7 -0.417 10.917 5.496
59 H LEU 8 H LEU 8 -3.605 8.598 4.362
60 HA LEU 8 HA LEU 8 -3.917 5.831 4.627
61 HB3 LEU 8 HB3 LEU 8 -5.401 8.151 5.102
62 HG LEU 8 HG LEU 8 -6.522 7.471 2.814
63 HD11 LEU 8 HD11 LEU 8 -8.311 5.768 4.457
64 HD12 LEU 8 HD12 LEU 8 -7.881 5.669 2.732
65 HD13 LEU 8 HD13 LEU 8 -6.758 5.050 3.966
66 HD21 LEU 8 HD21 LEU 8 -7.287 9.234 4.360
67 HD22 LEU 8 HD22 LEU 8 -8.638 8.349 3.611
68 HD23 LEU 8 HD23 LEU 8 -8.177 8.009 5.296
69 H HIS 9 H HIS 9 -4.197 8.070 1.859
70 HA HIS 9 HA HIS 9 -5.324 6.002 0.208
71 HB3 HIS 9 HB3 HIS 9 -4.451 8.849 -0.340
72 HD1 HIS 9 HD1 HIS 9 -7.192 6.913 -2.082
73 HD2 HIS 9 HD2 HIS 9 -3.390 8.476 -2.918
74 HE1 HIS 9 HE1 HIS 9 -6.894 6.754 -4.611
75 HE2 HIS 9 HE2 HIS 9 -4.563 7.779 -5.071
76 H ILE 10 H ILE 10 -2.176 7.607 0.809
77 HA ILE 10 HA ILE 10 -0.854 6.499 -1.405
78 HB ILE 10 HB ILE 10 0.077 7.617 1.232
79 HG13 ILE 10 HG13 ILE 10 -1.039 9.073 -0.551
80 HG21 ILE 10 HG21 ILE 10 1.704 6.496 -1.050
81 HG22 ILE 10 HG22 ILE 10 2.348 7.715 0.075
82 HG23 ILE 10 HG23 ILE 10 1.817 6.131 0.689
83 HD11 ILE 10 HD11 ILE 10 1.829 9.629 0.337
84 HD12 ILE 10 HD12 ILE 10 0.719 10.854 -0.323
85 HD13 ILE 10 HD13 ILE 10 0.345 10.055 1.224
86 H ILE 11 H ILE 11 -0.806 5.537 2.104
87 HA ILE 11 HA ILE 11 0.630 3.198 1.691
88 HB ILE 11 HB ILE 11 -1.116 4.309 3.828
89 HG13 ILE 11 HG13 ILE 11 1.728 3.253 3.815
90 HG21 ILE 11 HG21 ILE 11 -0.127 1.444 3.838
91 HG22 ILE 11 HG22 ILE 11 -0.886 2.303 5.199
92 HG23 ILE 11 HG23 ILE 11 -1.825 1.968 3.726
93 HD11 ILE 11 HD11 ILE 11 1.763 5.228 2.486
94 HD12 ILE 11 HD12 ILE 11 0.512 6.017 3.475
95 HD13 ILE 11 HD13 ILE 11 2.154 5.798 4.125
96 H GLN 12 H GLN 12 -2.597 4.049 0.783
97 HA GLN 12 HA GLN 12 -3.736 1.501 0.991
98 HB3 GLN 12 HB3 GLN 12 -4.782 3.233 -1.169
99 HG3 GLN 12 HG3 GLN 12 -6.043 2.463 1.493
100 HE21 GLN 12 HE22 GLN 12 -7.566 3.981 1.539
101 HE22 GLN 12 HE21 GLN 12 -8.727 4.297 0.291
102 H VAL 13 H VAL 13 -2.434 3.349 -1.864
103 HA VAL 13 HA VAL 13 -2.725 1.305 -3.706
104 HB VAL 13 HB VAL 13 -0.695 3.540 -3.536
105 HG11 VAL 13 HG11 VAL 13 -1.576 2.215 -6.096
106 HG12 VAL 13 HG12 VAL 13 -0.130 3.200 -5.772
107 HG13 VAL 13 HG13 VAL 13 -0.236 1.540 -5.137
108 HG21 VAL 13 HG21 VAL 13 -2.839 3.863 -5.470
109 HG22 VAL 13 HG22 VAL 13 -3.480 3.644 -3.823
110 HG23 VAL 13 HG23 VAL 13 -2.315 4.947 -4.158
111 H VAL 14 H VAL 14 0.406 2.326 -2.159
112 HA VAL 14 HA VAL 14 1.998 0.341 -2.904
113 HB VAL 14 HB VAL 14 2.556 0.569 -0.185
114 HG11 VAL 14 HG11 VAL 14 3.896 0.947 -2.445
115 HG12 VAL 14 HG12 VAL 14 3.549 2.656 -2.088
116 HG13 VAL 14 HG13 VAL 14 4.440 1.664 -0.909
117 HG21 VAL 14 HG21 VAL 14 2.099 2.760 0.522
118 HG22 VAL 14 HG22 VAL 14 1.659 3.298 -1.116
119 HG23 VAL 14 HG23 VAL 14 0.570 2.218 -0.212
120 H ILE 15 H ILE 15 0.092 0.087 0.187
121 HA ILE 15 HA ILE 15 0.572 -2.581 0.604
122 HB ILE 15 HB ILE 15 -1.735 -0.797 1.352
123 HG13 ILE 15 HG13 ILE 15 0.220 -0.066 2.424
124 HG21 ILE 15 HG21 ILE 15 -1.214 -3.641 2.264
125 HG22 ILE 15 HG22 ILE 15 -2.385 -2.518 2.996
126 HG23 ILE 15 HG23 ILE 15 -2.603 -3.060 1.316
127 HD11 ILE 15 HD11 ILE 15 -0.943 -2.133 4.343
128 HD12 ILE 15 HD12 ILE 15 -0.113 -0.618 4.770
129 HD13 ILE 15 HD13 ILE 15 -1.712 -0.567 3.989
130 H SER 16 H SER 16 -1.986 -0.992 -1.377
131 HA SER 16 HA SER 16 -3.354 -3.335 -1.945
132 HB3 SER 16 HB3 SER 16 -3.106 -0.788 -3.606
133 HG SER 16 HG SER 16 -5.539 -1.784 -3.837
134 H TYR 17 H TYR 17 -0.290 -2.072 -3.048
135 HA TYR 17 HA TYR 17 -0.318 -3.793 -5.411
136 HB3 TYR 17 HB3 TYR 17 1.479 -1.593 -4.229
137 HD1 TYR 17 HD1 TYR 17 3.356 -3.478 -4.406
138 HD2 TYR 17 HD2 TYR 17 1.425 -1.633 -7.750
139 HE1 TYR 17 HE1 TYR 17 5.312 -4.119 -5.900
140 HE2 TYR 17 HE2 TYR 17 3.387 -2.280 -9.231
141 HH TYR 17 HH TYR 17 6.328 -3.457 -7.914
142 H PHE 18 H PHE 18 0.854 -3.594 -2.112
143 HA PHE 18 HA PHE 18 2.998 -5.466 -2.600
144 HB3 PHE 18 HB3 PHE 18 3.007 -5.223 0.032
145 HD1 PHE 18 HD1 PHE 18 4.787 -4.595 -2.261
146 HD2 PHE 18 HD2 PHE 18 2.745 -2.024 0.426
147 HE1 PHE 18 HE1 PHE 18 6.524 -2.823 -2.637
148 HE2 PHE 18 HE2 PHE 18 4.481 -0.251 0.051
149 HZ PHE 18 HZ PHE 18 6.350 -0.672 -1.477
150 H LEU 19 H LEU 19 -0.101 -5.352 -0.702
151 HA LEU 19 HA LEU 19 -0.102 -7.826 0.363
152 HB3 LEU 19 HB3 LEU 19 -2.615 -6.857 -0.919
153 HG LEU 19 HG LEU 19 -3.693 -7.444 1.048
154 HD11 LEU 19 HD11 LEU 19 -2.779 -9.714 1.721
155 HD12 LEU 19 HD12 LEU 19 -3.112 -9.472 -0.010
156 HD13 LEU 19 HD13 LEU 19 -1.439 -9.403 0.592
157 HD21 LEU 19 HD21 LEU 19 -1.026 -7.454 2.488
158 HD22 LEU 19 HD22 LEU 19 -2.271 -6.185 2.583
159 HD23 LEU 19 HD23 LEU 19 -2.612 -7.816 3.211
160 H MET 20 H MET 20 -1.032 -6.948 -3.021
161 HA MET 20 HA MET 20 -1.910 -9.350 -3.866
162 HB3 MET 20 HB3 MET 20 -0.118 -7.312 -5.300
163 HG3 MET 20 HG3 MET 20 -2.072 -9.185 -6.677
164 HE1 MET 20 HE1 MET 20 -0.687 -9.866 -9.289
165 HE2 MET 20 HE2 MET 20 -2.255 -9.063 -9.037
166 HE3 MET 20 HE3 MET 20 -1.083 -8.382 -10.190
167 H LEU 21 H LEU 21 1.465 -8.326 -3.271
168 HA LEU 21 HA LEU 21 2.473 -10.797 -4.403
169 HB3 LEU 21 HB3 LEU 21 3.443 -8.278 -4.375
170 HG LEU 21 HG LEU 21 4.037 -8.790 -1.823
171 HD11 LEU 21 HD11 LEU 21 6.716 -9.493 -2.598
172 HD12 LEU 21 HD12 LEU 21 5.624 -10.289 -1.439
173 HD13 LEU 21 HD13 LEU 21 5.575 -10.739 -3.160
174 HD21 LEU 21 HD21 LEU 21 5.071 -6.836 -2.023
175 HD22 LEU 21 HD22 LEU 21 6.375 -7.557 -2.998
176 HD23 LEU 21 HD23 LEU 21 4.886 -6.985 -3.787
177 H ILE 22 H ILE 22 1.648 -9.312 -1.293
178 HA ILE 22 HA ILE 22 3.152 -11.060 0.316
179 HB ILE 22 HB ILE 22 0.609 -9.578 0.986
180 HG13 ILE 22 HG13 ILE 22 1.718 -7.625 1.109
181 HG21 ILE 22 HG21 ILE 22 1.655 -9.556 3.282
182 HG22 ILE 22 HG22 ILE 22 1.089 -11.143 2.705
183 HG23 ILE 22 HG23 ILE 22 2.826 -10.752 2.676
184 HD11 ILE 22 HD11 ILE 22 3.162 -8.040 2.949
185 HD12 ILE 22 HD12 ILE 22 4.061 -9.301 2.070
186 HD13 ILE 22 HD13 ILE 22 4.272 -7.588 1.631
187 H PHE 23 H PHE 23 -0.464 -10.995 0.032
188 HA PHE 23 HA PHE 23 -1.083 -13.338 1.065
189 HB3 PHE 23 HB3 PHE 23 -2.000 -12.164 -1.629
190 HD1 PHE 23 HD1 PHE 23 -2.326 -14.946 0.586
191 HD2 PHE 23 HD2 PHE 23 -4.488 -12.488 -2.114
192 HE1 PHE 23 HE1 PHE 23 -4.093 -16.717 0.389
193 HE2 PHE 23 HE2 PHE 23 -6.255 -14.259 -2.311
194 HZ PHE 23 HZ PHE 23 -6.036 -16.353 -1.057
195 H MET 24 H MET 24 0.096 -12.924 -2.340
196 HA MET 24 HA MET 24 -0.113 -15.583 -3.029
197 HB3 MET 24 HB3 MET 24 2.184 -14.400 -4.333
198 HG3 MET 24 HG3 MET 24 -0.148 -13.863 -5.871
199 HE1 MET 24 HE1 MET 24 -0.690 -16.288 -7.516
200 HE2 MET 24 HE2 MET 24 0.623 -17.448 -7.824
201 HE3 MET 24 HE3 MET 24 -0.203 -17.438 -6.248
202 H THR 25 H THR 25 2.910 -13.764 -2.112
203 HA THR 25 HA THR 25 4.591 -15.938 -1.986
204 HB THR 25 HB THR 25 5.869 -14.384 -0.375
205 HG1 THR 25 HG1 THR 25 4.669 -12.260 -0.231
206 HG21 THR 25 HG21 THR 25 6.343 -13.934 -2.691
207 HG22 THR 25 HG22 THR 25 4.693 -13.339 -2.990
208 HG23 THR 25 HG23 THR 25 5.828 -12.365 -2.026
209 H TYR 26 H TYR 26 2.292 -14.721 0.488
210 HA TYR 26 HA TYR 26 3.216 -16.594 2.442
211 HB3 TYR 26 HB3 TYR 26 0.935 -15.722 3.456
212 HD1 TYR 26 HD1 TYR 26 4.125 -14.603 2.237
213 HD2 TYR 26 HD2 TYR 26 0.759 -13.433 4.604
214 HE1 TYR 26 HE1 TYR 26 5.525 -12.794 3.349
215 HE2 TYR 26 HE2 TYR 26 2.169 -11.629 5.707
216 HH TYR 26 HH TYR 26 5.092 -10.616 4.463
217 H ASN 27 H ASN 27 1.723 -17.151 -0.438
218 HA ASN 27 HA ASN 27 0.068 -19.247 0.733
219 HB3 ASN 27 HB3 ASN 27 -0.909 -19.067 -1.810
220 HD21 ASN 27 HD22 ASN 27 -0.736 -16.823 0.951
221 HD22 ASN 27 HD21 ASN 27 -2.416 -16.856 1.368
222 H LYS 28 H LYS 28 1.781 -18.293 -2.352
223 HA LYS 28 HA LYS 28 3.452 -19.375 -3.408
224 HB3 LYS 28 HB3 LYS 28 3.611 -20.707 -1.066
225 HG3 LYS 28 HG3 LYS 28 1.844 -22.352 -2.248
226 HD3 LYS 28 HD3 LYS 28 4.565 -23.131 -3.371
227 HE3 LYS 28 HE3 LYS 28 2.221 -24.845 -2.596
228 HZ1 LYS 28 HZ1 LYS 28 2.921 -26.353 -4.408
229 HZ2 LYS 28 HZ2 LYS 28 2.113 -25.029 -4.922
230 HZ3 LYS 28 HZ3 LYS 28 3.735 -25.115 -5.094
231 H LYS 29 H LYS 29 0.267 -20.793 -2.737
232 HA LYS 29 HA LYS 29 0.157 -22.545 -4.901
233 HB3 LYS 29 HB3 LYS 29 -1.902 -21.126 -3.222
234 HG3 LYS 29 HG3 LYS 29 -2.290 -22.278 -5.883
235 HD3 LYS 29 HD3 LYS 29 -3.253 -23.832 -3.516
236 HE3 LYS 29 HE3 LYS 29 -5.042 -23.576 -5.962
237 HZ1 LYS 29 HZ1 LYS 29 -5.691 -24.423 -3.237
238 HZ2 LYS 29 HZ2 LYS 29 -6.523 -24.714 -4.613
239 HZ3 LYS 29 HZ3 LYS 29 -5.104 -25.475 -4.339
Start of MODEL 16
1 H1 LYS 1 H1 LYS 1 -2.342 20.586 6.499
2 HA LYS 1 HA LYS 1 -2.893 19.063 8.946
3 HB3 LYS 1 HB3 LYS 1 -5.123 20.702 7.946
4 HG3 LYS 1 HG3 LYS 1 -3.795 20.048 10.602
5 HD3 LYS 1 HD3 LYS 1 -6.156 21.370 11.230
6 HE3 LYS 1 HE3 LYS 1 -3.259 21.859 11.475
7 HZ1 LYS 1 HZ1 LYS 1 -3.293 24.101 11.655
8 HZ2 LYS 1 HZ2 LYS 1 -4.355 23.943 10.424
9 HZ3 LYS 1 HZ3 LYS 1 -4.897 24.206 11.942
10 H HIS 2 H HIS 2 -4.360 17.328 8.718
11 HA HIS 2 HA HIS 2 -5.568 15.801 7.685
12 HB3 HIS 2 HB3 HIS 2 -5.871 16.745 5.004
13 HD1 HIS 2 HD1 HIS 2 -8.512 17.164 4.542
14 HD2 HIS 2 HD2 HIS 2 -7.490 15.696 8.336
15 HE1 HIS 2 HE1 HIS 2 -10.664 16.242 5.556
16 HE2 HIS 2 HE2 HIS 2 -9.963 15.304 7.863
17 H LEU 3 H LEU 3 -2.547 16.204 7.564
18 HA LEU 3 HA LEU 3 -1.444 15.418 5.204
19 HB3 LEU 3 HB3 LEU 3 0.438 14.785 6.427
20 HG LEU 3 HG LEU 3 0.895 16.525 7.815
21 HD11 LEU 3 HD11 LEU 3 -1.647 17.869 7.107
22 HD12 LEU 3 HD12 LEU 3 0.039 18.374 6.846
23 HD13 LEU 3 HD13 LEU 3 -0.715 17.189 5.753
24 HD21 LEU 3 HD21 LEU 3 -1.573 15.692 9.168
25 HD22 LEU 3 HD22 LEU 3 -0.044 16.313 9.834
26 HD23 LEU 3 HD23 LEU 3 -1.273 17.446 9.221
27 H LEU 4 H LEU 4 -1.960 13.019 7.871
28 HA LEU 4 HA LEU 4 -1.729 10.768 6.448
29 HB3 LEU 4 HB3 LEU 4 -3.618 9.923 8.070
30 HG LEU 4 HG LEU 4 -2.124 9.674 9.872
31 HD11 LEU 4 HD11 LEU 4 -0.368 8.597 8.875
32 HD12 LEU 4 HD12 LEU 4 -1.454 8.791 7.478
33 HD13 LEU 4 HD13 LEU 4 -0.082 9.903 7.699
34 HD21 LEU 4 HD21 LEU 4 -0.075 11.625 8.999
35 HD22 LEU 4 HD22 LEU 4 -1.582 12.311 9.652
36 HD23 LEU 4 HD23 LEU 4 -0.623 11.176 10.632
37 H GLN 5 H GLN 5 -4.647 12.878 6.602
38 HA GLN 5 HA GLN 5 -6.519 11.455 5.455
39 HB3 GLN 5 HB3 GLN 5 -6.014 14.122 4.154
40 HG3 GLN 5 HG3 GLN 5 -8.189 12.933 3.867
41 HE21 GLN 5 HE22 GLN 5 -10.348 12.696 4.947
42 HE22 GLN 5 HE21 GLN 5 -10.398 11.940 6.505
43 H THR 6 H THR 6 -3.525 12.531 3.854
44 HA THR 6 HA THR 6 -4.471 11.426 1.312
45 HB THR 6 HB THR 6 -3.295 13.777 1.726
46 HG1 THR 6 HG1 THR 6 -2.473 11.716 -0.199
47 HG21 THR 6 HG21 THR 6 -0.819 13.552 1.257
48 HG22 THR 6 HG22 THR 6 -1.263 12.967 2.878
49 HG23 THR 6 HG23 THR 6 -0.955 11.805 1.565
50 H VAL 7 H VAL 7 -1.775 11.116 3.701
51 HA VAL 7 HA VAL 7 -0.351 9.153 2.460
52 HB VAL 7 HB VAL 7 -0.939 9.257 5.419
53 HG11 VAL 7 HG11 VAL 7 1.079 7.942 3.711
54 HG12 VAL 7 HG12 VAL 7 1.739 8.791 5.128
55 HG13 VAL 7 HG13 VAL 7 0.505 7.526 5.344
56 HG21 VAL 7 HG21 VAL 7 -0.426 11.481 5.076
57 HG22 VAL 7 HG22 VAL 7 1.200 10.797 5.315
58 HG23 VAL 7 HG23 VAL 7 0.612 11.139 3.671
59 H LEU 8 H LEU 8 -3.411 8.887 4.323
60 HA LEU 8 HA LEU 8 -3.529 6.164 4.605
61 HB3 LEU 8 HB3 LEU 8 -5.913 6.443 4.792
62 HG LEU 8 HG LEU 8 -4.159 8.464 6.061
63 HD11 LEU 8 HD11 LEU 8 -7.009 8.898 6.707
64 HD12 LEU 8 HD12 LEU 8 -5.659 10.053 6.592
65 HD13 LEU 8 HD13 LEU 8 -6.483 9.497 5.115
66 HD21 LEU 8 HD21 LEU 8 -5.211 7.584 8.104
67 HD22 LEU 8 HD22 LEU 8 -6.288 6.577 7.106
68 HD23 LEU 8 HD23 LEU 8 -4.531 6.292 7.085
69 H HIS 9 H HIS 9 -4.567 8.191 1.788
70 HA HIS 9 HA HIS 9 -5.437 5.998 0.279
71 HB3 HIS 9 HB3 HIS 9 -4.415 8.479 -1.041
72 HD1 HIS 9 HD1 HIS 9 -4.811 6.888 -3.173
73 HD2 HIS 9 HD2 HIS 9 -8.223 7.807 -0.913
74 HE1 HIS 9 HE1 HIS 9 -6.816 6.299 -4.635
75 HE2 HIS 9 HE2 HIS 9 -8.883 6.833 -3.173
76 H ILE 10 H ILE 10 -2.265 7.476 0.869
77 HA ILE 10 HA ILE 10 -0.977 6.308 -1.358
78 HB ILE 10 HB ILE 10 -0.073 7.562 1.216
79 HG13 ILE 10 HG13 ILE 10 -0.974 8.982 -0.617
80 HG21 ILE 10 HG21 ILE 10 1.765 6.461 -0.926
81 HG22 ILE 10 HG22 ILE 10 2.233 7.330 0.556
82 HG23 ILE 10 HG23 ILE 10 1.492 5.716 0.667
83 HD11 ILE 10 HD11 ILE 10 0.915 10.559 -0.667
84 HD12 ILE 10 HD12 ILE 10 0.784 9.834 0.953
85 HD13 ILE 10 HD13 ILE 10 2.034 9.264 -0.178
86 H ILE 11 H ILE 11 -0.924 5.459 2.180
87 HA ILE 11 HA ILE 11 0.463 3.092 1.874
88 HB ILE 11 HB ILE 11 -1.331 4.286 3.918
89 HG13 ILE 11 HG13 ILE 11 1.478 3.146 4.029
90 HG21 ILE 11 HG21 ILE 11 -0.632 1.354 3.788
91 HG22 ILE 11 HG22 ILE 11 -0.923 2.187 5.334
92 HG23 ILE 11 HG23 ILE 11 -2.207 2.122 4.102
93 HD11 ILE 11 HD11 ILE 11 2.200 5.483 4.039
94 HD12 ILE 11 HD12 ILE 11 1.224 5.192 2.578
95 HD13 ILE 11 HD13 ILE 11 0.510 6.040 3.971
96 H GLN 12 H GLN 12 -2.766 3.939 0.902
97 HA GLN 12 HA GLN 12 -3.879 1.377 1.093
98 HB3 GLN 12 HB3 GLN 12 -5.073 2.897 -1.057
99 HG3 GLN 12 HG3 GLN 12 -6.662 3.285 1.166
100 HE21 GLN 12 HE22 GLN 12 -6.635 0.021 1.180
101 HE22 GLN 12 HE21 GLN 12 -7.662 -0.343 -0.166
102 H VAL 13 H VAL 13 -2.472 3.246 -1.690
103 HA VAL 13 HA VAL 13 -2.760 1.210 -3.566
104 HB VAL 13 HB VAL 13 -0.747 3.459 -3.373
105 HG11 VAL 13 HG11 VAL 13 0.150 2.785 -5.300
106 HG12 VAL 13 HG12 VAL 13 -0.817 1.294 -5.185
107 HG13 VAL 13 HG13 VAL 13 -1.454 2.702 -6.067
108 HG21 VAL 13 HG21 VAL 13 -3.607 3.347 -4.040
109 HG22 VAL 13 HG22 VAL 13 -2.583 4.735 -3.596
110 HG23 VAL 13 HG23 VAL 13 -2.615 4.153 -5.278
111 H VAL 14 H VAL 14 0.332 2.265 -1.963
112 HA VAL 14 HA VAL 14 1.963 0.305 -2.702
113 HB VAL 14 HB VAL 14 2.504 0.522 0.013
114 HG11 VAL 14 HG11 VAL 14 4.373 1.603 -0.712
115 HG12 VAL 14 HG12 VAL 14 3.788 1.034 -2.294
116 HG13 VAL 14 HG13 VAL 14 3.463 2.704 -1.774
117 HG21 VAL 14 HG21 VAL 14 1.979 2.681 0.762
118 HG22 VAL 14 HG22 VAL 14 1.532 3.243 -0.867
119 HG23 VAL 14 HG23 VAL 14 0.469 2.114 0.009
120 H ILE 15 H ILE 15 0.007 0.017 0.355
121 HA ILE 15 HA ILE 15 0.521 -2.647 0.773
122 HB ILE 15 HB ILE 15 -1.836 -0.913 1.489
123 HG13 ILE 15 HG13 ILE 15 0.104 -0.120 2.561
124 HG21 ILE 15 HG21 ILE 15 -1.798 -3.727 1.522
125 HG22 ILE 15 HG22 ILE 15 -1.547 -3.208 3.206
126 HG23 ILE 15 HG23 ILE 15 -2.970 -2.637 2.301
127 HD11 ILE 15 HD11 ILE 15 -0.748 -2.104 4.664
128 HD12 ILE 15 HD12 ILE 15 -0.464 -0.352 4.809
129 HD13 ILE 15 HD13 ILE 15 -1.957 -0.952 4.048
130 H SER 16 H SER 16 -2.012 -1.083 -1.256
131 HA SER 16 HA SER 16 -3.352 -3.439 -1.845
132 HB3 SER 16 HB3 SER 16 -3.987 -1.992 -3.988
133 HG SER 16 HG SER 16 -4.722 -0.625 -1.621
134 H TYR 17 H TYR 17 -0.293 -2.117 -2.919
135 HA TYR 17 HA TYR 17 -0.260 -3.834 -5.281
136 HB3 TYR 17 HB3 TYR 17 1.505 -1.643 -4.037
137 HD1 TYR 17 HD1 TYR 17 3.391 -3.520 -4.181
138 HD2 TYR 17 HD2 TYR 17 1.542 -1.654 -7.558
139 HE1 TYR 17 HE1 TYR 17 5.387 -4.144 -5.627
140 HE2 TYR 17 HE2 TYR 17 3.544 -2.285 -8.993
141 HH TYR 17 HH TYR 17 5.294 -3.982 -8.990
142 H PHE 18 H PHE 18 0.858 -3.656 -1.958
143 HA PHE 18 HA PHE 18 3.005 -5.530 -2.423
144 HB3 PHE 18 HB3 PHE 18 2.904 -5.312 0.236
145 HD1 PHE 18 HD2 PHE 18 5.015 -4.964 -1.599
146 HD2 PHE 18 HD1 PHE 18 2.626 -1.957 0.206
147 HE1 PHE 18 HE2 PHE 18 6.871 -3.303 -1.910
148 HE2 PHE 18 HE1 PHE 18 4.482 -0.296 -0.104
149 HZ PHE 18 HZ PHE 18 6.582 -0.989 -1.158
150 H LEU 19 H LEU 19 -0.103 -5.427 -0.534
151 HA LEU 19 HA LEU 19 -0.142 -7.892 0.511
152 HB3 LEU 19 HB3 LEU 19 -2.606 -6.899 -0.861
153 HG LEU 19 HG LEU 19 -3.786 -7.621 0.965
154 HD11 LEU 19 HD11 LEU 19 -2.986 -9.615 -0.014
155 HD12 LEU 19 HD12 LEU 19 -1.387 -9.445 0.750
156 HD13 LEU 19 HD13 LEU 19 -2.811 -9.830 1.745
157 HD21 LEU 19 HD21 LEU 19 -2.878 -7.938 3.227
158 HD22 LEU 19 HD22 LEU 19 -1.271 -7.441 2.647
159 HD23 LEU 19 HD23 LEU 19 -2.622 -6.282 2.629
160 H MET 20 H MET 20 -1.005 -7.045 -2.900
161 HA MET 20 HA MET 20 -1.854 -9.421 -3.781
162 HB3 MET 20 HB3 MET 20 -0.067 -8.467 -5.799
163 HG3 MET 20 HG3 MET 20 -2.923 -7.529 -5.247
164 HE1 MET 20 HE1 MET 20 -4.209 -8.164 -7.424
165 HE2 MET 20 HE2 MET 20 -4.133 -6.667 -8.385
166 HE3 MET 20 HE3 MET 20 -3.484 -8.185 -9.050
167 H LEU 21 H LEU 21 1.553 -8.449 -3.162
168 HA LEU 21 HA LEU 21 2.565 -10.926 -4.209
169 HB3 LEU 21 HB3 LEU 21 4.724 -10.062 -3.546
170 HG LEU 21 HG LEU 21 2.921 -8.077 -4.916
171 HD11 LEU 21 HD11 LEU 21 5.862 -7.672 -4.306
172 HD12 LEU 21 HD12 LEU 21 4.884 -6.678 -5.412
173 HD13 LEU 21 HD13 LEU 21 4.502 -6.713 -3.674
174 HD21 LEU 21 HD21 LEU 21 4.410 -10.335 -5.740
175 HD22 LEU 21 HD22 LEU 21 3.509 -9.177 -6.748
176 HD23 LEU 21 HD23 LEU 21 5.233 -8.903 -6.403
177 H ILE 22 H ILE 22 1.806 -9.456 -1.023
178 HA ILE 22 HA ILE 22 3.017 -11.409 0.548
179 HB ILE 22 HB ILE 22 0.521 -9.871 1.240
180 HG13 ILE 22 HG13 ILE 22 1.828 -8.146 0.405
181 HG21 ILE 22 HG21 ILE 22 1.209 -11.569 2.857
182 HG22 ILE 22 HG22 ILE 22 2.841 -10.862 2.921
183 HG23 ILE 22 HG23 ILE 22 1.444 -9.929 3.507
184 HD11 ILE 22 HD11 ILE 22 1.292 -7.873 2.884
185 HD12 ILE 22 HD12 ILE 22 2.948 -8.429 3.226
186 HD13 ILE 22 HD13 ILE 22 2.685 -6.926 2.310
187 H PHE 23 H PHE 23 -0.369 -11.148 -0.722
188 HA PHE 23 HA PHE 23 -1.093 -13.665 0.377
189 HB3 PHE 23 HB3 PHE 23 -2.325 -12.078 -1.949
190 HD1 PHE 23 HD1 PHE 23 -2.435 -15.024 -0.144
191 HD2 PHE 23 HD2 PHE 23 -4.971 -11.868 -1.415
192 HE1 PHE 23 HE1 PHE 23 -4.427 -16.537 0.073
193 HE2 PHE 23 HE2 PHE 23 -6.963 -13.381 -1.198
194 HZ PHE 23 HZ PHE 23 -6.666 -15.697 -0.457
195 H MET 24 H MET 24 1.097 -12.994 -2.002
196 HA MET 24 HA MET 24 0.231 -15.269 -3.610
197 HB3 MET 24 HB3 MET 24 2.302 -14.022 -5.012
198 HG3 MET 24 HG3 MET 24 -0.161 -12.653 -5.661
199 HE1 MET 24 HE1 MET 24 -1.248 -13.198 -7.606
200 HE2 MET 24 HE2 MET 24 -0.061 -12.846 -8.885
201 HE3 MET 24 HE3 MET 24 -0.838 -14.445 -8.807
202 H THR 25 H THR 25 2.770 -13.887 -1.562
203 HA THR 25 HA THR 25 4.749 -15.828 -2.305
204 HB THR 25 HB THR 25 5.912 -14.738 -0.289
205 HG1 THR 25 HG1 THR 25 4.455 -13.668 0.982
206 HG21 THR 25 HG21 THR 25 6.588 -13.371 -2.017
207 HG22 THR 25 HG22 THR 25 4.965 -13.354 -2.747
208 HG23 THR 25 HG23 THR 25 5.348 -12.251 -1.404
209 H TYR 26 H TYR 26 2.373 -15.412 0.365
210 HA TYR 26 HA TYR 26 3.304 -17.820 1.640
211 HB3 TYR 26 HB3 TYR 26 1.082 -17.201 2.963
212 HD1 TYR 26 HD1 TYR 26 4.316 -15.871 2.035
213 HD2 TYR 26 HD2 TYR 26 1.123 -15.524 4.861
214 HE1 TYR 26 HE1 TYR 26 5.860 -14.645 3.638
215 HE2 TYR 26 HE2 TYR 26 2.679 -14.299 6.456
216 HH TYR 26 HH TYR 26 5.616 -13.025 5.483
217 H ASN 27 H ASN 27 1.828 -17.489 -1.222
218 HA ASN 27 HA ASN 27 -0.139 -19.561 -0.655
219 HB3 ASN 27 HB3 ASN 27 -0.682 -18.794 -3.239
220 HD21 ASN 27 HD22 ASN 27 -0.736 -17.004 -0.154
221 HD22 ASN 27 HD21 ASN 27 -2.456 -16.970 0.049
222 H LYS 28 H LYS 28 2.516 -18.436 -2.844
223 HA LYS 28 HA LYS 28 2.814 -21.217 -3.747
224 HB3 LYS 28 HB3 LYS 28 3.983 -19.883 -5.747
225 HG3 LYS 28 HG3 LYS 28 0.951 -20.008 -5.661
226 HD3 LYS 28 HD3 LYS 28 3.072 -19.961 -7.705
227 HE3 LYS 28 HE3 LYS 28 1.139 -22.281 -7.574
228 HZ1 LYS 28 HZ1 LYS 28 0.946 -22.365 -9.828
229 HZ2 LYS 28 HZ2 LYS 28 0.815 -20.753 -9.596
230 HZ3 LYS 28 HZ3 LYS 28 2.224 -21.391 -10.121
231 H LYS 29 H LYS 29 3.974 -20.942 -1.436
232 HA LYS 29 HA LYS 29 5.866 -20.868 -0.296
233 HB3 LYS 29 HB3 LYS 29 7.964 -21.369 -1.898
234 HG3 LYS 29 HG3 LYS 29 6.199 -22.858 -0.295
235 HD3 LYS 29 HD3 LYS 29 6.654 -24.844 -2.368
236 HE3 LYS 29 HE3 LYS 29 3.862 -24.074 -1.746
237 HZ1 LYS 29 HZ1 LYS 29 5.469 -26.476 -1.210
238 HZ2 LYS 29 HZ2 LYS 29 3.844 -26.369 -1.081
239 HZ3 LYS 29 HZ3 LYS 29 4.558 -26.229 -2.543
Start of MODEL 17
1 H1 LYS 1 H1 LYS 1 -3.473 21.204 7.136
2 HA LYS 1 HA LYS 1 -3.084 18.941 8.913
3 HB3 LYS 1 HB3 LYS 1 -4.317 20.985 9.647
4 HG3 LYS 1 HG3 LYS 1 -6.012 20.176 7.304
5 HD3 LYS 1 HD3 LYS 1 -7.269 19.943 9.686
6 HE3 LYS 1 HE3 LYS 1 -6.705 22.810 9.392
7 HZ1 LYS 1 HZ1 LYS 1 -9.119 23.189 10.182
8 HZ2 LYS 1 HZ2 LYS 1 -8.777 23.191 8.585
9 HZ3 LYS 1 HZ3 LYS 1 -9.451 21.874 9.274
10 H HIS 2 H HIS 2 -4.777 17.151 8.838
11 HA HIS 2 HA HIS 2 -5.906 15.587 7.773
12 HB3 HIS 2 HB3 HIS 2 -6.237 16.530 5.104
13 HD1 HIS 2 HD1 HIS 2 -9.023 17.678 5.242
14 HD2 HIS 2 HD2 HIS 2 -7.693 14.674 7.849
15 HE1 HIS 2 HE1 HIS 2 -11.116 16.500 6.103
16 HE2 HIS 2 HE2 HIS 2 -10.233 14.630 7.657
17 H LEU 3 H LEU 3 -2.906 16.092 7.699
18 HA LEU 3 HA LEU 3 -1.742 15.396 5.341
19 HB3 LEU 3 HB3 LEU 3 0.142 14.799 6.579
20 HG LEU 3 HG LEU 3 0.517 16.521 8.015
21 HD11 LEU 3 HD11 LEU 3 -0.384 18.360 7.072
22 HD12 LEU 3 HD12 LEU 3 -1.085 17.176 5.943
23 HD13 LEU 3 HD13 LEU 3 -2.057 17.796 7.299
24 HD21 LEU 3 HD21 LEU 3 -1.942 15.573 9.307
25 HD22 LEU 3 HD22 LEU 3 -0.445 16.229 10.013
26 HD23 LEU 3 HD23 LEU 3 -1.702 17.334 9.407
27 H LEU 4 H LEU 4 -2.230 12.923 7.947
28 HA LEU 4 HA LEU 4 -1.900 10.716 6.469
29 HB3 LEU 4 HB3 LEU 4 -3.175 9.534 8.093
30 HG LEU 4 HG LEU 4 -2.406 11.838 9.825
31 HD11 LEU 4 HD11 LEU 4 -1.316 9.935 11.093
32 HD12 LEU 4 HD12 LEU 4 -3.091 9.886 10.969
33 HD13 LEU 4 HD13 LEU 4 -2.096 8.834 9.933
34 HD21 LEU 4 HD21 LEU 4 -0.559 10.484 7.909
35 HD22 LEU 4 HD22 LEU 4 -0.563 12.156 8.520
36 HD23 LEU 4 HD23 LEU 4 0.032 10.834 9.552
37 H GLN 5 H GLN 5 -4.884 12.727 6.647
38 HA GLN 5 HA GLN 5 -6.705 11.274 5.457
39 HB3 GLN 5 HB3 GLN 5 -6.265 13.984 4.221
40 HG3 GLN 5 HG3 GLN 5 -8.725 13.633 5.687
41 HE21 GLN 5 HE22 GLN 5 -7.681 12.597 2.448
42 HE22 GLN 5 HE21 GLN 5 -8.484 13.840 1.547
43 H THR 6 H THR 6 -3.731 12.466 3.903
44 HA THR 6 HA THR 6 -4.625 11.381 1.332
45 HB THR 6 HB THR 6 -3.537 13.765 1.800
46 HG1 THR 6 HG1 THR 6 -3.945 12.852 -0.315
47 HG21 THR 6 HG21 THR 6 -1.052 13.633 1.325
48 HG22 THR 6 HG22 THR 6 -1.478 13.011 2.938
49 HG23 THR 6 HG23 THR 6 -1.131 11.877 1.610
50 H VAL 7 H VAL 7 -1.939 11.123 3.737
51 HA VAL 7 HA VAL 7 -0.439 9.233 2.465
52 HB VAL 7 HB VAL 7 -1.027 9.264 5.425
53 HG11 VAL 7 HG11 VAL 7 1.641 8.905 5.195
54 HG12 VAL 7 HG12 VAL 7 0.469 7.566 5.246
55 HG13 VAL 7 HG13 VAL 7 1.100 8.138 3.683
56 HG21 VAL 7 HG21 VAL 7 0.431 11.251 3.713
57 HG22 VAL 7 HG22 VAL 7 -0.618 11.515 5.126
58 HG23 VAL 7 HG23 VAL 7 1.039 10.903 5.350
59 H LEU 8 H LEU 8 -3.476 8.827 4.348
60 HA LEU 8 HA LEU 8 -3.507 6.108 4.601
61 HB3 LEU 8 HB3 LEU 8 -5.909 6.300 4.746
62 HG LEU 8 HG LEU 8 -4.243 8.366 6.064
63 HD11 LEU 8 HD11 LEU 8 -6.593 9.321 5.102
64 HD12 LEU 8 HD12 LEU 8 -7.113 8.681 6.680
65 HD13 LEU 8 HD13 LEU 8 -5.810 9.889 6.596
66 HD21 LEU 8 HD21 LEU 8 -6.000 6.078 6.820
67 HD22 LEU 8 HD22 LEU 8 -4.363 6.506 7.373
68 HD23 LEU 8 HD23 LEU 8 -5.775 7.389 8.002
69 H HIS 9 H HIS 9 -4.609 8.097 1.778
70 HA HIS 9 HA HIS 9 -5.386 5.893 0.252
71 HB3 HIS 9 HB3 HIS 9 -4.565 7.982 -1.478
72 HD1 HIS 9 HD1 HIS 9 -7.691 7.783 0.740
73 HD2 HIS 9 HD2 HIS 9 -6.516 7.260 -3.254
74 HE1 HIS 9 HE1 HIS 9 -9.827 7.331 -0.581
75 HE2 HIS 9 HE2 HIS 9 -9.048 7.073 -3.035
76 H ILE 10 H ILE 10 -2.257 7.554 0.749
77 HA ILE 10 HA ILE 10 -0.918 6.361 -1.403
78 HB ILE 10 HB ILE 10 0.038 7.517 1.213
79 HG13 ILE 10 HG13 ILE 10 0.735 9.404 -0.307
80 HG21 ILE 10 HG21 ILE 10 2.273 7.630 0.128
81 HG22 ILE 10 HG22 ILE 10 1.728 5.973 0.479
82 HG23 ILE 10 HG23 ILE 10 1.648 6.603 -1.183
83 HD11 ILE 10 HD11 ILE 10 0.424 7.874 -2.414
84 HD12 ILE 10 HD12 ILE 10 -1.303 8.268 -2.243
85 HD13 ILE 10 HD13 ILE 10 -0.115 9.568 -2.507
86 H ILE 11 H ILE 11 -0.836 5.530 2.138
87 HA ILE 11 HA ILE 11 0.587 3.181 1.818
88 HB ILE 11 HB ILE 11 -1.183 4.358 3.896
89 HG13 ILE 11 HG13 ILE 11 1.655 3.290 3.956
90 HG21 ILE 11 HG21 ILE 11 -0.219 1.486 3.994
91 HG22 ILE 11 HG22 ILE 11 -0.956 2.391 5.337
92 HG23 ILE 11 HG23 ILE 11 -1.911 2.028 3.880
93 HD11 ILE 11 HD11 ILE 11 2.309 5.659 3.930
94 HD12 ILE 11 HD12 ILE 11 1.353 5.292 2.473
95 HD13 ILE 11 HD13 ILE 11 0.602 6.154 3.837
96 H GLN 12 H GLN 12 -2.666 3.981 0.900
97 HA GLN 12 HA GLN 12 -3.749 1.410 1.146
98 HB3 GLN 12 HB3 GLN 12 -4.851 3.130 -1.004
99 HG3 GLN 12 HG3 GLN 12 -5.778 1.587 1.402
100 HE21 GLN 12 HE22 GLN 12 -8.399 2.279 -0.274
101 HE22 GLN 12 HE21 GLN 12 -9.065 3.624 0.590
102 H VAL 13 H VAL 13 -2.407 3.261 -1.679
103 HA VAL 13 HA VAL 13 -2.719 1.207 -3.532
104 HB VAL 13 HB VAL 13 -0.741 3.489 -3.386
105 HG11 VAL 13 HG11 VAL 13 -1.582 2.238 -5.975
106 HG12 VAL 13 HG12 VAL 13 -0.082 3.097 -5.554
107 HG13 VAL 13 HG13 VAL 13 -0.336 1.425 -4.999
108 HG21 VAL 13 HG21 VAL 13 -3.152 4.125 -3.332
109 HG22 VAL 13 HG22 VAL 13 -2.298 4.702 -4.784
110 HG23 VAL 13 HG23 VAL 13 -3.373 3.286 -4.887
111 H VAL 14 H VAL 14 0.393 2.299 -1.993
112 HA VAL 14 HA VAL 14 2.026 0.346 -2.744
113 HB VAL 14 HB VAL 14 2.604 0.593 -0.036
114 HG11 VAL 14 HG11 VAL 14 3.488 2.684 -2.007
115 HG12 VAL 14 HG12 VAL 14 4.427 1.821 -0.765
116 HG13 VAL 14 HG13 VAL 14 3.944 0.983 -2.260
117 HG21 VAL 14 HG21 VAL 14 1.614 3.297 -0.945
118 HG22 VAL 14 HG22 VAL 14 0.569 2.181 -0.033
119 HG23 VAL 14 HG23 VAL 14 2.088 2.764 0.687
120 H ILE 15 H ILE 15 0.119 0.067 0.344
121 HA ILE 15 HA ILE 15 0.665 -2.592 0.772
122 HB ILE 15 HB ILE 15 -1.685 -0.864 1.527
123 HG13 ILE 15 HG13 ILE 15 0.256 -0.053 2.566
124 HG21 ILE 15 HG21 ILE 15 -1.661 -3.669 1.558
125 HG22 ILE 15 HG22 ILE 15 -1.333 -3.168 3.234
126 HG23 ILE 15 HG23 ILE 15 -2.791 -2.580 2.399
127 HD11 ILE 15 HD11 ILE 15 -1.744 -0.927 4.104
128 HD12 ILE 15 HD12 ILE 15 -0.504 -2.071 4.672
129 HD13 ILE 15 HD13 ILE 15 -0.238 -0.318 4.830
130 H SER 16 H SER 16 -1.910 -1.053 -1.222
131 HA SER 16 HA SER 16 -3.243 -3.430 -1.767
132 HB3 SER 16 HB3 SER 16 -3.898 -1.955 -3.921
133 HG SER 16 HG SER 16 -5.476 -2.227 -2.370
134 H TYR 17 H TYR 17 -0.202 -2.128 -2.858
135 HA TYR 17 HA TYR 17 -0.213 -3.829 -5.238
136 HB3 TYR 17 HB3 TYR 17 1.548 -1.601 -4.057
137 HD1 TYR 17 HD1 TYR 17 3.460 -3.449 -4.254
138 HD2 TYR 17 HD2 TYR 17 1.475 -1.626 -7.577
139 HE1 TYR 17 HE1 TYR 17 5.418 -4.046 -5.762
140 HE2 TYR 17 HE2 TYR 17 3.438 -2.230 -9.073
141 HH TYR 17 HH TYR 17 5.832 -2.682 -8.803
142 H PHE 18 H PHE 18 0.980 -3.609 -1.945
143 HA PHE 18 HA PHE 18 3.178 -5.404 -2.430
144 HB3 PHE 18 HB3 PHE 18 2.993 -5.256 0.251
145 HD1 PHE 18 HD2 PHE 18 5.182 -4.917 -1.467
146 HD2 PHE 18 HD1 PHE 18 2.716 -1.889 0.194
147 HE1 PHE 18 HE2 PHE 18 7.056 -3.264 -1.701
148 HE2 PHE 18 HE1 PHE 18 4.590 -0.235 -0.041
149 HZ PHE 18 HZ PHE 18 6.737 -0.942 -0.985
150 H LEU 19 H LEU 19 0.026 -5.478 -0.621
151 HA LEU 19 HA LEU 19 0.138 -8.014 0.339
152 HB3 LEU 19 HB3 LEU 19 -2.465 -7.218 -0.795
153 HG LEU 19 HG LEU 19 -3.339 -7.624 1.333
154 HD11 LEU 19 HD11 LEU 19 -2.836 -9.720 0.421
155 HD12 LEU 19 HD12 LEU 19 -1.091 -9.541 0.726
156 HD13 LEU 19 HD13 LEU 19 -2.211 -9.800 2.086
157 HD21 LEU 19 HD21 LEU 19 -1.849 -6.217 2.633
158 HD22 LEU 19 HD22 LEU 19 -1.993 -7.823 3.388
159 HD23 LEU 19 HD23 LEU 19 -0.534 -7.403 2.459
160 H MET 20 H MET 20 -0.868 -6.958 -2.970
161 HA MET 20 HA MET 20 -1.698 -9.329 -3.944
162 HB3 MET 20 HB3 MET 20 0.003 -7.152 -5.278
163 HG3 MET 20 HG3 MET 20 -1.839 -9.175 -6.635
164 HE1 MET 20 HE1 MET 20 1.099 -8.924 -8.638
165 HE2 MET 20 HE2 MET 20 1.254 -7.268 -9.271
166 HE3 MET 20 HE3 MET 20 1.623 -7.606 -7.563
167 H LEU 21 H LEU 21 1.543 -8.447 -2.954
168 HA LEU 21 HA LEU 21 2.667 -10.717 -4.411
169 HB3 LEU 21 HB3 LEU 21 3.584 -8.178 -4.076
170 HG LEU 21 HG LEU 21 4.175 -8.712 -1.656
171 HD11 LEU 21 HD11 LEU 21 6.634 -10.100 -2.437
172 HD12 LEU 21 HD12 LEU 21 5.516 -10.404 -1.085
173 HD13 LEU 21 HD13 LEU 21 5.158 -11.060 -2.701
174 HD21 LEU 21 HD21 LEU 21 5.586 -7.309 -3.684
175 HD22 LEU 21 HD22 LEU 21 5.553 -6.998 -1.931
176 HD23 LEU 21 HD23 LEU 21 6.790 -8.077 -2.620
177 H ILE 22 H ILE 22 2.084 -9.389 -1.122
178 HA ILE 22 HA ILE 22 3.419 -11.478 0.218
179 HB ILE 22 HB ILE 22 1.166 -9.842 1.349
180 HG13 ILE 22 HG13 ILE 22 2.305 -8.097 0.369
181 HG21 ILE 22 HG21 ILE 22 2.420 -10.010 3.408
182 HG22 ILE 22 HG22 ILE 22 2.166 -11.636 2.728
183 HG23 ILE 22 HG23 ILE 22 3.752 -10.842 2.571
184 HD11 ILE 22 HD11 ILE 22 3.812 -7.085 2.067
185 HD12 ILE 22 HD12 ILE 22 2.360 -7.779 2.828
186 HD13 ILE 22 HD13 ILE 22 3.910 -8.651 2.908
187 H PHE 23 H PHE 23 -0.115 -10.838 -0.355
188 HA PHE 23 HA PHE 23 -1.188 -13.014 0.776
189 HB3 PHE 23 HB3 PHE 23 -1.947 -12.278 -2.079
190 HD1 PHE 23 HD1 PHE 23 -2.714 -14.305 0.386
191 HD2 PHE 23 HD2 PHE 23 -4.461 -10.925 -1.491
192 HE1 PHE 23 HE1 PHE 23 -4.992 -15.097 1.081
193 HE2 PHE 23 HE2 PHE 23 -6.739 -11.716 -0.797
194 HZ PHE 23 HZ PHE 23 -6.978 -13.793 0.480
195 H MET 24 H MET 24 -0.085 -12.921 -2.696
196 HA MET 24 HA MET 24 -0.545 -15.554 -3.219
197 HB3 MET 24 HB3 MET 24 1.759 -14.912 -4.701
198 HG3 MET 24 HG3 MET 24 0.031 -13.910 -6.364
199 HE1 MET 24 HE1 MET 24 -1.956 -17.779 -5.363
200 HE2 MET 24 HE2 MET 24 -2.129 -16.189 -4.582
201 HE3 MET 24 HE3 MET 24 -2.625 -16.407 -6.277
202 H THR 25 H THR 25 2.663 -14.064 -2.340
203 HA THR 25 HA THR 25 4.099 -16.401 -2.150
204 HB THR 25 HB THR 25 5.517 -14.964 -0.551
205 HG1 THR 25 HG1 THR 25 3.636 -13.806 0.314
206 HG21 THR 25 HG21 THR 25 5.794 -13.025 -2.216
207 HG22 THR 25 HG22 THR 25 5.988 -14.649 -2.920
208 HG23 THR 25 HG23 THR 25 4.468 -13.752 -3.156
209 H TYR 26 H TYR 26 1.946 -14.882 0.295
210 HA TYR 26 HA TYR 26 2.616 -16.888 2.241
211 HB3 TYR 26 HB3 TYR 26 0.529 -15.637 3.305
212 HD1 TYR 26 HD1 TYR 26 3.856 -15.061 2.025
213 HD2 TYR 26 HD2 TYR 26 0.809 -13.440 4.555
214 HE1 TYR 26 HE1 TYR 26 5.578 -13.575 3.161
215 HE2 TYR 26 HE2 TYR 26 2.542 -11.960 5.682
216 HH TYR 26 HH TYR 26 4.790 -10.959 4.970
217 H ASN 27 H ASN 27 1.057 -17.227 -0.598
218 HA ASN 27 HA ASN 27 -1.032 -18.879 0.588
219 HB3 ASN 27 HB3 ASN 27 -1.767 -18.710 -2.044
220 HD21 ASN 27 HD22 ASN 27 -1.370 -16.525 0.725
221 HD22 ASN 27 HD21 ASN 27 -3.044 -16.143 0.953
222 H LYS 28 H LYS 28 1.287 -18.539 -2.201
223 HA LYS 28 HA LYS 28 1.517 -21.468 -2.212
224 HB3 LYS 28 HB3 LYS 28 2.044 -21.181 -4.682
225 HG3 LYS 28 HG3 LYS 28 -0.610 -20.873 -3.331
226 HD3 LYS 28 HD3 LYS 28 -0.221 -19.443 -5.703
227 HE3 LYS 28 HE3 LYS 28 -1.562 -20.784 -7.374
228 HZ1 LYS 28 HZ1 LYS 28 0.330 -22.458 -7.683
229 HZ2 LYS 28 HZ2 LYS 28 0.663 -20.866 -7.825
230 HZ3 LYS 28 HZ3 LYS 28 1.060 -21.664 -6.457
231 H LYS 29 H LYS 29 3.112 -20.590 -0.416
232 HA LYS 29 HA LYS 29 5.167 -19.959 0.202
233 HB3 LYS 29 HB3 LYS 29 5.334 -22.348 -0.508
234 HG3 LYS 29 HG3 LYS 29 7.019 -22.358 -2.656
235 HD3 LYS 29 HD3 LYS 29 4.175 -22.309 -3.499
236 HE3 LYS 29 HE3 LYS 29 6.535 -23.701 -4.152
237 HZ1 LYS 29 HZ1 LYS 29 6.113 -25.901 -3.637
238 HZ2 LYS 29 HZ2 LYS 29 5.840 -25.136 -2.221
239 HZ3 LYS 29 HZ3 LYS 29 4.581 -25.627 -3.139
Start of MODEL 18
1 H1 LYS 1 H1 LYS 1 -7.241 19.808 9.058
2 HA LYS 1 HA LYS 1 -4.442 19.728 8.414
3 HB3 LYS 1 HB3 LYS 1 -5.762 20.022 11.124
4 HG3 LYS 1 HG3 LYS 1 -3.556 21.552 11.212
5 HD3 LYS 1 HD3 LYS 1 -3.012 18.594 11.420
6 HE3 LYS 1 HE3 LYS 1 -2.577 19.791 13.878
7 HZ1 LYS 1 HZ1 LYS 1 -0.818 18.662 13.098
8 HZ2 LYS 1 HZ2 LYS 1 -0.954 19.210 11.566
9 HZ3 LYS 1 HZ3 LYS 1 -0.269 20.151 12.712
10 H HIS 2 H HIS 2 -4.287 17.524 7.612
11 HA HIS 2 HA HIS 2 -3.542 15.747 9.670
12 HB3 HIS 2 HB3 HIS 2 -5.338 14.479 9.974
13 HD1 HIS 2 HD1 HIS 2 -6.971 16.077 11.116
14 HD2 HIS 2 HD2 HIS 2 -7.247 16.144 6.931
15 HE1 HIS 2 HE1 HIS 2 -9.054 17.442 10.558
16 HE2 HIS 2 HE2 HIS 2 -9.140 17.494 7.973
17 H LEU 3 H LEU 3 -1.568 15.780 8.517
18 HA LEU 3 HA LEU 3 -1.216 15.579 5.832
19 HB3 LEU 3 HB3 LEU 3 0.985 14.984 6.279
20 HG LEU 3 HG LEU 3 1.748 16.430 7.859
21 HD11 LEU 3 HD11 LEU 3 0.543 18.300 7.580
22 HD12 LEU 3 HD12 LEU 3 -0.523 17.267 6.598
23 HD13 LEU 3 HD13 LEU 3 -0.922 17.593 8.302
24 HD21 LEU 3 HD21 LEU 3 -0.152 15.032 9.621
25 HD22 LEU 3 HD22 LEU 3 1.490 15.641 9.942
26 HD23 LEU 3 HD23 LEU 3 0.098 16.750 10.012
27 H LEU 4 H LEU 4 -1.744 12.897 8.197
28 HA LEU 4 HA LEU 4 -1.365 10.768 6.540
29 HB3 LEU 4 HB3 LEU 4 -3.168 9.684 8.001
30 HG LEU 4 HG LEU 4 -1.851 9.653 10.028
31 HD11 LEU 4 HD11 LEU 4 0.211 9.779 7.844
32 HD12 LEU 4 HD12 LEU 4 0.050 8.627 9.191
33 HD13 LEU 4 HD13 LEU 4 -1.072 8.546 7.812
34 HD21 LEU 4 HD21 LEU 4 -1.437 12.138 10.063
35 HD22 LEU 4 HD22 LEU 4 -0.046 11.121 10.509
36 HD23 LEU 4 HD23 LEU 4 -0.125 11.862 8.892
37 H GLN 5 H GLN 5 -4.039 13.110 6.607
38 HA GLN 5 HA GLN 5 -6.049 11.901 5.429
39 HB3 GLN 5 HB3 GLN 5 -4.885 14.578 4.540
40 HG3 GLN 5 HG3 GLN 5 -7.780 14.426 4.610
41 HE21 GLN 5 HE22 GLN 5 -5.330 13.783 2.109
42 HE22 GLN 5 HE21 GLN 5 -5.525 15.257 1.222
43 H THR 6 H THR 6 -2.879 12.503 3.950
44 HA THR 6 HA THR 6 -3.871 11.533 1.369
45 HB THR 6 HB THR 6 -2.412 13.684 1.751
46 HG1 THR 6 HG1 THR 6 -1.694 11.412 0.036
47 HG21 THR 6 HG21 THR 6 0.029 13.218 1.661
48 HG22 THR 6 HG22 THR 6 -0.653 12.594 3.182
49 HG23 THR 6 HG23 THR 6 -0.288 11.476 1.846
50 H VAL 7 H VAL 7 -1.284 10.866 3.814
51 HA VAL 7 HA VAL 7 -0.153 8.691 2.664
52 HB VAL 7 HB VAL 7 -0.842 8.951 5.595
53 HG11 VAL 7 HG11 VAL 7 0.141 6.837 5.239
54 HG12 VAL 7 HG12 VAL 7 1.309 7.480 4.060
55 HG13 VAL 7 HG13 VAL 7 1.479 7.874 5.787
56 HG21 VAL 7 HG21 VAL 7 1.137 10.434 3.886
57 HG22 VAL 7 HG22 VAL 7 0.085 11.034 5.191
58 HG23 VAL 7 HG23 VAL 7 1.530 10.072 5.584
59 H LEU 8 H LEU 8 -3.283 8.889 4.424
60 HA LEU 8 HA LEU 8 -3.816 6.218 4.692
61 HB3 LEU 8 HB3 LEU 8 -6.141 6.851 4.789
62 HG LEU 8 HG LEU 8 -4.152 8.592 6.129
63 HD11 LEU 8 HD11 LEU 8 -5.425 10.379 6.618
64 HD12 LEU 8 HD12 LEU 8 -6.272 9.948 5.113
65 HD13 LEU 8 HD13 LEU 8 -6.930 9.430 6.683
66 HD21 LEU 8 HD21 LEU 8 -5.867 7.928 8.043
67 HD22 LEU 8 HD22 LEU 8 -6.316 6.673 6.864
68 HD23 LEU 8 HD23 LEU 8 -4.637 6.792 7.441
69 H HIS 9 H HIS 9 -4.439 8.365 1.842
70 HA HIS 9 HA HIS 9 -5.537 6.278 0.306
71 HB3 HIS 9 HB3 HIS 9 -4.461 9.024 -0.336
72 HD1 HIS 9 HD1 HIS 9 -7.004 6.898 -2.219
73 HD2 HIS 9 HD2 HIS 9 -3.307 8.779 -2.844
74 HE1 HIS 9 HE1 HIS 9 -6.526 6.722 -4.719
75 HE2 HIS 9 HE2 HIS 9 -4.268 7.942 -5.051
76 H ILE 10 H ILE 10 -2.240 7.640 0.728
77 HA ILE 10 HA ILE 10 -1.046 6.288 -1.396
78 HB ILE 10 HB ILE 10 0.044 7.311 1.223
79 HG13 ILE 10 HG13 ILE 10 0.918 9.137 -0.264
80 HG21 ILE 10 HG21 ILE 10 1.634 6.479 -1.216
81 HG22 ILE 10 HG22 ILE 10 2.259 7.082 0.337
82 HG23 ILE 10 HG23 ILE 10 1.457 5.496 0.257
83 HD11 ILE 10 HD11 ILE 10 0.454 7.648 -2.391
84 HD12 ILE 10 HD12 ILE 10 -1.206 8.270 -2.239
85 HD13 ILE 10 HD13 ILE 10 0.149 9.400 -2.473
86 H ILE 11 H ILE 11 -0.999 5.439 2.142
87 HA ILE 11 HA ILE 11 0.144 2.953 1.811
88 HB ILE 11 HB ILE 11 -1.493 4.302 3.893
89 HG13 ILE 11 HG13 ILE 11 1.205 2.919 3.969
90 HG21 ILE 11 HG21 ILE 11 -0.852 1.341 3.975
91 HG22 ILE 11 HG22 ILE 11 -1.488 2.314 5.324
92 HG23 ILE 11 HG23 ILE 11 -2.472 2.067 3.861
93 HD11 ILE 11 HD11 ILE 11 1.472 4.815 2.536
94 HD12 ILE 11 HD12 ILE 11 0.350 5.801 3.505
95 HD13 ILE 11 HD13 ILE 11 1.956 5.388 4.151
96 H GLN 12 H GLN 12 -3.010 4.095 0.904
97 HA GLN 12 HA GLN 12 -4.336 1.631 1.118
98 HB3 GLN 12 HB3 GLN 12 -5.342 3.449 -0.975
99 HG3 GLN 12 HG3 GLN 12 -6.674 3.083 1.688
100 HE21 GLN 12 HE22 GLN 12 -8.233 1.140 -0.275
101 HE22 GLN 12 HE21 GLN 12 -9.289 2.214 -1.131
102 H VAL 13 H VAL 13 -2.694 3.380 -1.595
103 HA VAL 13 HA VAL 13 -3.266 1.397 -3.515
104 HB VAL 13 HB VAL 13 -1.165 3.565 -3.363
105 HG11 VAL 13 HG11 VAL 13 -1.031 1.412 -5.040
106 HG12 VAL 13 HG12 VAL 13 -1.984 2.555 -6.016
107 HG13 VAL 13 HG13 VAL 13 -0.379 3.026 -5.408
108 HG21 VAL 13 HG21 VAL 13 -2.703 4.730 -4.957
109 HG22 VAL 13 HG22 VAL 13 -3.894 3.435 -4.686
110 HG23 VAL 13 HG23 VAL 13 -3.394 4.482 -3.336
111 H VAL 14 H VAL 14 -0.055 2.269 -2.043
112 HA VAL 14 HA VAL 14 1.440 0.237 -2.834
113 HB VAL 14 HB VAL 14 2.077 0.370 -0.141
114 HG11 VAL 14 HG11 VAL 14 3.298 0.901 -2.480
115 HG12 VAL 14 HG12 VAL 14 3.063 2.565 -1.895
116 HG13 VAL 14 HG13 VAL 14 3.963 1.391 -0.904
117 HG21 VAL 14 HG21 VAL 14 1.662 2.520 0.690
118 HG22 VAL 14 HG22 VAL 14 1.192 3.153 -0.905
119 HG23 VAL 14 HG23 VAL 14 0.108 2.042 -0.033
120 H ILE 15 H ILE 15 -0.646 0.027 0.143
121 HA ILE 15 HA ILE 15 -0.222 -2.556 0.789
122 HB ILE 15 HB ILE 15 -2.557 -0.720 0.995
123 HG13 ILE 15 HG13 ILE 15 -0.785 -0.404 2.570
124 HG21 ILE 15 HG21 ILE 15 -3.734 -2.741 0.564
125 HG22 ILE 15 HG22 ILE 15 -2.650 -3.679 1.618
126 HG23 ILE 15 HG23 ILE 15 -3.764 -2.484 2.325
127 HD11 ILE 15 HD11 ILE 15 -1.957 -0.658 4.639
128 HD12 ILE 15 HD12 ILE 15 -3.230 -0.479 3.408
129 HD13 ILE 15 HD13 ILE 15 -2.837 -2.090 4.053
130 H SER 16 H SER 16 -2.647 -1.351 -1.628
131 HA SER 16 HA SER 16 -3.620 -3.810 -2.317
132 HB3 SER 16 HB3 SER 16 -3.467 -2.091 -4.655
133 HG SER 16 HG SER 16 -5.271 -3.498 -4.053
134 H TYR 17 H TYR 17 -0.637 -2.111 -3.306
135 HA TYR 17 HA TYR 17 -0.065 -4.024 -5.388
136 HB3 TYR 17 HB3 TYR 17 2.159 -2.591 -5.213
137 HD1 TYR 17 HD1 TYR 17 -1.321 -1.185 -4.965
138 HD2 TYR 17 HD2 TYR 17 2.310 -1.438 -7.213
139 HE1 TYR 17 HE1 TYR 17 -2.342 0.259 -6.792
140 HE2 TYR 17 HE2 TYR 17 1.276 0.007 -9.031
141 HH TYR 17 HH TYR 17 -2.088 0.737 -9.058
142 H PHE 18 H PHE 18 0.410 -3.725 -1.944
143 HA PHE 18 HA PHE 18 2.772 -5.373 -1.930
144 HB3 PHE 18 HB3 PHE 18 2.006 -5.230 0.652
145 HD1 PHE 18 HD1 PHE 18 4.392 -4.648 -1.026
146 HD2 PHE 18 HD2 PHE 18 1.699 -2.029 0.948
147 HE1 PHE 18 HE1 PHE 18 6.193 -2.907 -0.879
148 HE2 PHE 18 HE2 PHE 18 3.501 -0.287 1.095
149 HZ PHE 18 HZ PHE 18 5.726 -0.747 0.179
150 H LEU 19 H LEU 19 -0.687 -5.636 -0.855
151 HA LEU 19 HA LEU 19 -0.636 -8.151 0.169
152 HB3 LEU 19 HB3 LEU 19 -2.892 -7.195 -1.570
153 HG LEU 19 HG LEU 19 -4.324 -8.007 0.212
154 HD11 LEU 19 HD11 LEU 19 -4.054 -10.376 -0.106
155 HD12 LEU 19 HD12 LEU 19 -3.622 -9.539 -1.617
156 HD13 LEU 19 HD13 LEU 19 -2.342 -10.167 -0.551
157 HD21 LEU 19 HD21 LEU 19 -1.883 -9.105 1.617
158 HD22 LEU 19 HD22 LEU 19 -2.646 -7.556 2.048
159 HD23 LEU 19 HD23 LEU 19 -3.569 -9.070 2.189
160 H MET 20 H MET 20 -0.934 -7.186 -3.304
161 HA MET 20 HA MET 20 -1.340 -9.679 -4.331
162 HB3 MET 20 HB3 MET 20 0.278 -7.319 -5.443
163 HG3 MET 20 HG3 MET 20 -1.027 -9.669 -6.903
164 HE1 MET 20 HE1 MET 20 -2.218 -9.201 -8.465
165 HE2 MET 20 HE2 MET 20 -2.571 -7.483 -8.769
166 HE3 MET 20 HE3 MET 20 -1.747 -8.455 -10.011
167 H LEU 21 H LEU 21 1.463 -8.449 -2.708
168 HA LEU 21 HA LEU 21 3.153 -10.502 -3.933
169 HB3 LEU 21 HB3 LEU 21 3.609 -7.829 -3.331
170 HG LEU 21 HG LEU 21 4.064 -8.532 -0.938
171 HD11 LEU 21 HD11 LEU 21 6.717 -9.567 -1.487
172 HD12 LEU 21 HD12 LEU 21 5.436 -10.205 -0.429
173 HD13 LEU 21 HD13 LEU 21 5.453 -10.625 -2.159
174 HD21 LEU 21 HD21 LEU 21 6.087 -7.192 -0.756
175 HD22 LEU 21 HD22 LEU 21 6.392 -7.379 -2.499
176 HD23 LEU 21 HD23 LEU 21 4.964 -6.476 -1.937
177 H ILE 22 H ILE 22 1.555 -9.435 -0.940
178 HA ILE 22 HA ILE 22 2.966 -11.167 0.779
179 HB ILE 22 HB ILE 22 0.184 -10.061 1.140
180 HG13 ILE 22 HG13 ILE 22 1.300 -8.112 0.632
181 HG21 ILE 22 HG21 ILE 22 1.053 -11.813 2.740
182 HG22 ILE 22 HG22 ILE 22 2.299 -10.638 3.223
183 HG23 ILE 22 HG23 ILE 22 0.577 -10.261 3.469
184 HD11 ILE 22 HD11 ILE 22 0.469 -7.952 2.966
185 HD12 ILE 22 HD12 ILE 22 2.023 -8.588 3.560
186 HD13 ILE 22 HD13 ILE 22 1.960 -7.003 2.752
187 H PHE 23 H PHE 23 -0.455 -11.397 -0.440
188 HA PHE 23 HA PHE 23 -0.805 -14.023 0.351
189 HB3 PHE 23 HB3 PHE 23 -2.534 -13.822 -1.685
190 HD1 PHE 23 HD1 PHE 23 -1.568 -11.619 1.137
191 HD2 PHE 23 HD2 PHE 23 -4.752 -13.422 -1.014
192 HE1 PHE 23 HE1 PHE 23 -3.181 -10.891 2.915
193 HE2 PHE 23 HE2 PHE 23 -6.365 -12.693 0.765
194 HZ PHE 23 HZ PHE 23 -5.561 -11.436 2.708
195 H MET 24 H MET 24 1.179 -12.737 -2.176
196 HA MET 24 HA MET 24 0.937 -15.007 -3.877
197 HB3 MET 24 HB3 MET 24 3.371 -13.484 -4.327
198 HG3 MET 24 HG3 MET 24 1.282 -12.558 -6.045
199 HE1 MET 24 HE1 MET 24 2.419 -16.170 -6.140
200 HE2 MET 24 HE2 MET 24 1.694 -15.756 -7.712
201 HE3 MET 24 HE3 MET 24 3.416 -16.200 -7.615
202 H THR 25 H THR 25 3.098 -13.879 -1.261
203 HA THR 25 HA THR 25 4.999 -16.002 -1.742
204 HB THR 25 HB THR 25 5.985 -14.950 0.402
205 HG1 THR 25 HG1 THR 25 4.808 -12.767 0.695
206 HG21 THR 25 HG21 THR 25 6.781 -14.088 -1.774
207 HG22 THR 25 HG22 THR 25 5.306 -13.106 -1.948
208 HG23 THR 25 HG23 THR 25 6.489 -12.718 -0.676
209 H TYR 26 H TYR 26 2.312 -15.264 0.518
210 HA TYR 26 HA TYR 26 2.837 -17.610 2.077
211 HB3 TYR 26 HB3 TYR 26 0.438 -16.837 2.897
212 HD1 TYR 26 HD1 TYR 26 3.833 -15.694 2.526
213 HD2 TYR 26 HD2 TYR 26 0.155 -14.929 4.572
214 HE1 TYR 26 HE1 TYR 26 5.082 -14.341 4.281
215 HE2 TYR 26 HE2 TYR 26 1.415 -13.578 6.320
216 HH TYR 26 HH TYR 26 4.847 -12.892 5.936
217 H ASN 27 H ASN 27 1.882 -17.378 -1.046
218 HA ASN 27 HA ASN 27 -0.506 -18.602 -1.297
219 HB3 ASN 27 HB3 ASN 27 1.380 -19.785 -3.188
220 HD21 ASN 27 HD22 ASN 27 0.011 -16.520 -3.072
221 HD22 ASN 27 HD21 ASN 27 -1.244 -16.756 -4.242
222 H LYS 28 H LYS 28 2.776 -20.054 -0.777
223 HA LYS 28 HA LYS 28 1.468 -22.466 0.208
224 HB3 LYS 28 HB3 LYS 28 3.573 -23.568 -1.120
225 HG3 LYS 28 HG3 LYS 28 1.793 -24.091 -2.928
226 HD3 LYS 28 HD3 LYS 28 1.768 -24.726 -0.032
227 HE3 LYS 28 HE3 LYS 28 -0.633 -25.786 -1.454
228 HZ1 LYS 28 HZ1 LYS 28 -0.499 -26.419 0.706
229 HZ2 LYS 28 HZ2 LYS 28 0.171 -25.025 1.230
230 HZ3 LYS 28 HZ3 LYS 28 -1.425 -25.086 0.888
231 H LYS 29 H LYS 29 4.785 -21.143 -0.491
232 HA LYS 29 HA LYS 29 5.991 -22.275 1.711
233 HB3 LYS 29 HB3 LYS 29 7.016 -19.627 0.903
234 HG3 LYS 29 HG3 LYS 29 7.985 -22.157 1.820
235 HD3 LYS 29 HD3 LYS 29 8.053 -22.603 -0.751
236 HE3 LYS 29 HE3 LYS 29 10.629 -21.421 -1.135
237 HZ1 LYS 29 HZ1 LYS 29 9.292 -20.205 -2.846
238 HZ2 LYS 29 HZ2 LYS 29 9.216 -21.834 -2.918
239 HZ3 LYS 29 HZ3 LYS 29 7.972 -20.986 -2.285
Start of MODEL 19
1 H1 LYS 1 H1 LYS 1 -8.059 18.653 2.805
2 HA LYS 1 HA LYS 1 -6.668 19.484 4.967
3 HB3 LYS 1 HB3 LYS 1 -9.075 17.817 5.510
4 HG3 LYS 1 HG3 LYS 1 -7.853 19.588 7.033
5 HD3 LYS 1 HD3 LYS 1 -9.654 21.441 5.418
6 HE3 LYS 1 HE3 LYS 1 -7.495 22.712 6.854
7 HZ1 LYS 1 HZ1 LYS 1 -10.070 22.924 7.991
8 HZ2 LYS 1 HZ2 LYS 1 -9.174 24.066 7.243
9 HZ3 LYS 1 HZ3 LYS 1 -10.135 23.079 6.367
10 H HIS 2 H HIS 2 -5.928 18.518 6.956
11 HA HIS 2 HA HIS 2 -4.558 17.077 7.931
12 HB3 HIS 2 HB3 HIS 2 -5.882 15.699 9.059
13 HD1 HIS 2 HD1 HIS 2 -8.319 14.920 6.334
14 HD2 HIS 2 HD2 HIS 2 -7.910 17.690 9.458
15 HE1 HIS 2 HE1 HIS 2 -10.602 16.024 6.614
16 HE2 HIS 2 HE2 HIS 2 -10.303 17.676 8.583
17 H LEU 3 H LEU 3 -2.739 16.993 6.572
18 HA LEU 3 HA LEU 3 -2.536 15.730 4.169
19 HB3 LEU 3 HB3 LEU 3 -0.179 15.748 4.502
20 HG LEU 3 HG LEU 3 0.271 17.945 4.920
21 HD11 LEU 3 HD11 LEU 3 -1.438 18.106 3.324
22 HD12 LEU 3 HD12 LEU 3 -2.714 17.768 4.519
23 HD13 LEU 3 HD13 LEU 3 -1.854 19.325 4.553
24 HD21 LEU 3 HD21 LEU 3 -1.634 18.960 6.750
25 HD22 LEU 3 HD22 LEU 3 -1.038 17.421 7.417
26 HD23 LEU 3 HD23 LEU 3 0.112 18.712 6.993
27 H LEU 4 H LEU 4 -2.526 14.326 7.455
28 HA LEU 4 HA LEU 4 -1.562 11.807 6.783
29 HB3 LEU 4 HB3 LEU 4 -2.289 11.137 8.885
30 HG LEU 4 HG LEU 4 -2.409 14.019 9.613
31 HD11 LEU 4 HD11 LEU 4 -1.027 11.547 10.652
32 HD12 LEU 4 HD12 LEU 4 -0.629 13.178 11.242
33 HD13 LEU 4 HD13 LEU 4 -2.281 12.540 11.432
34 HD21 LEU 4 HD21 LEU 4 -0.774 14.596 8.194
35 HD22 LEU 4 HD22 LEU 4 0.289 13.714 9.317
36 HD23 LEU 4 HD23 LEU 4 -0.329 12.906 7.856
37 H GLN 5 H GLN 5 -4.772 13.321 6.411
38 HA GLN 5 HA GLN 5 -6.222 11.019 6.004
39 HB3 GLN 5 HB3 GLN 5 -7.012 13.326 4.317
40 HG3 GLN 5 HG3 GLN 5 -8.844 13.007 6.385
41 HE21 GLN 5 HE22 GLN 5 -10.590 11.249 5.658
42 HE22 GLN 5 HE21 GLN 5 -10.979 11.291 3.971
43 H THR 6 H THR 6 -3.703 12.428 4.098
44 HA THR 6 HA THR 6 -4.647 11.267 1.607
45 HB THR 6 HB THR 6 -1.895 12.375 1.787
46 HG1 THR 6 HG1 THR 6 -2.555 14.189 2.877
47 HG21 THR 6 HG21 THR 6 -4.383 13.356 0.297
48 HG22 THR 6 HG22 THR 6 -2.691 13.785 -0.054
49 HG23 THR 6 HG23 THR 6 -3.270 12.129 -0.351
50 H VAL 7 H VAL 7 -1.793 10.891 3.816
51 HA VAL 7 HA VAL 7 -0.506 8.882 2.602
52 HB VAL 7 HB VAL 7 -1.123 9.003 5.560
53 HG11 VAL 7 HG11 VAL 7 0.002 6.954 5.024
54 HG12 VAL 7 HG12 VAL 7 1.174 7.801 3.984
55 HG13 VAL 7 HG13 VAL 7 1.202 8.055 5.746
56 HG21 VAL 7 HG21 VAL 7 -0.381 11.162 5.135
57 HG22 VAL 7 HG22 VAL 7 1.138 10.314 5.512
58 HG23 VAL 7 HG23 VAL 7 0.700 10.647 3.818
59 H LEU 8 H LEU 8 -3.708 8.749 4.115
60 HA LEU 8 HA LEU 8 -3.932 6.024 4.498
61 HB3 LEU 8 HB3 LEU 8 -6.328 6.396 4.398
62 HG LEU 8 HG LEU 8 -4.799 8.634 5.737
63 HD11 LEU 8 HD11 LEU 8 -7.059 9.432 5.131
64 HD12 LEU 8 HD12 LEU 8 -7.760 8.058 6.019
65 HD13 LEU 8 HD13 LEU 8 -6.820 9.293 6.890
66 HD21 LEU 8 HD21 LEU 8 -4.557 7.246 7.455
67 HD22 LEU 8 HD22 LEU 8 -6.282 6.807 7.437
68 HD23 LEU 8 HD23 LEU 8 -5.132 5.944 6.386
69 H HIS 9 H HIS 9 -4.670 8.012 1.557
70 HA HIS 9 HA HIS 9 -5.425 5.788 0.024
71 HB3 HIS 9 HB3 HIS 9 -4.372 7.969 -1.562
72 HD1 HIS 9 HD1 HIS 9 -7.828 7.252 -0.045
73 HD2 HIS 9 HD2 HIS 9 -5.857 7.290 -3.747
74 HE1 HIS 9 HE1 HIS 9 -9.599 6.719 -1.802
75 HE2 HIS 9 HE2 HIS 9 -8.340 6.811 -4.061
76 H ILE 10 H ILE 10 -2.336 7.669 0.284
77 HA ILE 10 HA ILE 10 -0.894 6.331 -1.617
78 HB ILE 10 HB ILE 10 -0.069 7.554 1.012
79 HG13 ILE 10 HG13 ILE 10 0.655 9.426 -0.409
80 HG21 ILE 10 HG21 ILE 10 1.643 6.430 -1.210
81 HG22 ILE 10 HG22 ILE 10 2.232 7.634 -0.039
82 HG23 ILE 10 HG23 ILE 10 1.682 6.038 0.526
83 HD11 ILE 10 HD11 ILE 10 -0.906 8.211 -2.697
84 HD12 ILE 10 HD12 ILE 10 0.319 9.502 -2.730
85 HD13 ILE 10 HD13 ILE 10 0.817 7.809 -2.500
86 H ILE 11 H ILE 11 -0.864 5.578 1.945
87 HA ILE 11 HA ILE 11 0.529 3.212 1.705
88 HB ILE 11 HB ILE 11 -1.269 4.454 3.713
89 HG13 ILE 11 HG13 ILE 11 1.528 3.297 3.891
90 HG21 ILE 11 HG21 ILE 11 -1.118 2.502 5.198
91 HG22 ILE 11 HG22 ILE 11 -2.075 2.161 3.737
92 HG23 ILE 11 HG23 ILE 11 -0.408 1.554 3.870
93 HD11 ILE 11 HD11 ILE 11 2.048 5.842 4.039
94 HD12 ILE 11 HD12 ILE 11 1.715 5.163 2.427
95 HD13 ILE 11 HD13 ILE 11 0.449 6.073 3.288
96 H GLN 12 H GLN 12 -2.720 4.004 0.732
97 HA GLN 12 HA GLN 12 -3.804 1.439 0.984
98 HB3 GLN 12 HB3 GLN 12 -4.827 3.188 -1.203
99 HG3 GLN 12 HG3 GLN 12 -5.860 1.524 1.073
100 HE21 GLN 12 HE22 GLN 12 -7.739 3.293 -1.284
101 HE22 GLN 12 HE21 GLN 12 -8.695 4.231 -0.185
102 H VAL 13 H VAL 13 -2.446 3.249 -1.864
103 HA VAL 13 HA VAL 13 -2.711 1.162 -3.679
104 HB VAL 13 HB VAL 13 -0.753 3.461 -3.534
105 HG11 VAL 13 HG11 VAL 13 -0.701 1.223 -5.265
106 HG12 VAL 13 HG12 VAL 13 -1.336 2.586 -6.217
107 HG13 VAL 13 HG13 VAL 13 0.235 2.731 -5.394
108 HG21 VAL 13 HG21 VAL 13 -2.284 4.743 -4.718
109 HG22 VAL 13 HG22 VAL 13 -3.166 3.322 -5.328
110 HG23 VAL 13 HG23 VAL 13 -3.341 3.816 -3.627
111 H VAL 14 H VAL 14 0.376 2.284 -2.114
112 HA VAL 14 HA VAL 14 2.020 0.318 -2.808
113 HB VAL 14 HB VAL 14 2.570 0.613 -0.103
114 HG11 VAL 14 HG11 VAL 14 3.832 1.083 -2.438
115 HG12 VAL 14 HG12 VAL 14 3.509 2.760 -1.935
116 HG13 VAL 14 HG13 VAL 14 4.431 1.673 -0.868
117 HG21 VAL 14 HG21 VAL 14 2.033 2.791 0.588
118 HG22 VAL 14 HG22 VAL 14 1.566 3.298 -1.053
119 HG23 VAL 14 HG23 VAL 14 0.524 2.185 -0.134
120 H ILE 15 H ILE 15 0.075 0.096 0.261
121 HA ILE 15 HA ILE 15 0.615 -2.553 0.747
122 HB ILE 15 HB ILE 15 -1.743 -0.811 1.433
123 HG13 ILE 15 HG13 ILE 15 0.177 0.013 2.497
124 HG21 ILE 15 HG21 ILE 15 -2.353 -2.502 3.121
125 HG22 ILE 15 HG22 ILE 15 -2.540 -3.101 1.454
126 HG23 ILE 15 HG23 ILE 15 -1.141 -3.608 2.431
127 HD11 ILE 15 HD11 ILE 15 -0.910 -2.047 4.466
128 HD12 ILE 15 HD12 ILE 15 -0.148 -0.486 4.853
129 HD13 ILE 15 HD13 ILE 15 -1.745 -0.527 4.068
130 H SER 16 H SER 16 -1.930 -1.057 -1.317
131 HA SER 16 HA SER 16 -3.253 -3.444 -1.836
132 HB3 SER 16 HB3 SER 16 -3.056 -0.855 -3.431
133 HG SER 16 HG SER 16 -3.955 -2.168 -4.934
134 H TYR 17 H TYR 17 -0.198 -2.156 -2.912
135 HA TYR 17 HA TYR 17 -0.170 -3.905 -5.257
136 HB3 TYR 17 HB3 TYR 17 1.576 -1.659 -4.082
137 HD1 TYR 17 HD1 TYR 17 3.486 -3.515 -4.214
138 HD2 TYR 17 HD2 TYR 17 1.564 -1.747 -7.603
139 HE1 TYR 17 HE1 TYR 17 5.469 -4.143 -5.676
140 HE2 TYR 17 HE2 TYR 17 3.553 -2.380 -9.053
141 HH TYR 17 HH TYR 17 5.674 -4.613 -8.323
142 H PHE 18 H PHE 18 0.977 -3.621 -1.949
143 HA PHE 18 HA PHE 18 3.176 -5.431 -2.365
144 HB3 PHE 18 HB3 PHE 18 2.817 -5.237 0.344
145 HD1 PHE 18 HD2 PHE 18 5.219 -5.285 -0.835
146 HD2 PHE 18 HD1 PHE 18 2.857 -1.809 -0.253
147 HE1 PHE 18 HE2 PHE 18 7.279 -3.859 -0.994
148 HE2 PHE 18 HE1 PHE 18 4.915 -0.382 -0.413
149 HZ PHE 18 HZ PHE 18 7.102 -1.425 -0.781
150 H LEU 19 H LEU 19 -0.005 -5.471 -0.604
151 HA LEU 19 HA LEU 19 0.085 -7.988 0.401
152 HB3 LEU 19 HB3 LEU 19 -2.157 -6.301 -0.663
153 HG LEU 19 HG LEU 19 -3.699 -7.767 0.684
154 HD11 LEU 19 HD11 LEU 19 -2.861 -7.969 -2.016
155 HD12 LEU 19 HD12 LEU 19 -3.147 -9.624 -1.426
156 HD13 LEU 19 HD13 LEU 19 -4.436 -8.401 -1.307
157 HD21 LEU 19 HD21 LEU 19 -1.396 -9.722 0.454
158 HD22 LEU 19 HD22 LEU 19 -2.110 -9.061 1.944
159 HD23 LEU 19 HD23 LEU 19 -3.059 -10.160 0.913
160 H MET 20 H MET 20 -0.856 -6.992 -2.946
161 HA MET 20 HA MET 20 -1.662 -9.392 -3.885
162 HB3 MET 20 HB3 MET 20 0.031 -7.223 -5.243
163 HG3 MET 20 HG3 MET 20 -1.756 -9.337 -6.540
164 HE1 MET 20 HE1 MET 20 1.551 -8.067 -7.868
165 HE2 MET 20 HE2 MET 20 0.712 -9.181 -8.975
166 HE3 MET 20 HE3 MET 20 1.021 -7.499 -9.470
167 H LEU 21 H LEU 21 1.547 -8.471 -2.852
168 HA LEU 21 HA LEU 21 2.719 -10.743 -4.268
169 HB3 LEU 21 HB3 LEU 21 3.607 -8.200 -3.984
170 HG LEU 21 HG LEU 21 4.129 -8.732 -1.508
171 HD11 LEU 21 HD11 LEU 21 5.309 -10.974 -2.540
172 HD12 LEU 21 HD12 LEU 21 6.708 -9.897 -2.309
173 HD13 LEU 21 HD13 LEU 21 5.644 -10.281 -0.935
174 HD21 LEU 21 HD21 LEU 21 5.904 -7.482 -3.555
175 HD22 LEU 21 HD22 LEU 21 5.041 -6.754 -2.179
176 HD23 LEU 21 HD23 LEU 21 6.534 -7.684 -1.902
177 H ILE 22 H ILE 22 2.006 -9.402 -1.020
178 HA ILE 22 HA ILE 22 3.386 -11.388 0.408
179 HB ILE 22 HB ILE 22 0.970 -9.890 1.386
180 HG13 ILE 22 HG13 ILE 22 2.078 -8.094 0.456
181 HG21 ILE 22 HG21 ILE 22 3.524 -10.675 2.809
182 HG22 ILE 22 HG22 ILE 22 2.038 -10.008 3.525
183 HG23 ILE 22 HG23 ILE 22 2.029 -11.642 2.820
184 HD11 ILE 22 HD11 ILE 22 1.930 -7.752 2.911
185 HD12 ILE 22 HD12 ILE 22 3.522 -8.523 3.113
186 HD13 ILE 22 HD13 ILE 22 3.386 -6.975 2.245
187 H PHE 23 H PHE 23 -0.141 -11.014 -0.389
188 HA PHE 23 HA PHE 23 -0.972 -13.387 0.712
189 HB3 PHE 23 HB3 PHE 23 -1.953 -12.216 -1.945
190 HD1 PHE 23 HD1 PHE 23 -2.330 -14.826 0.125
191 HD2 PHE 23 HD2 PHE 23 -4.627 -11.546 -1.282
192 HE1 PHE 23 HE1 PHE 23 -4.439 -16.115 0.561
193 HE2 PHE 23 HE2 PHE 23 -6.736 -12.837 -0.846
194 HZ PHE 23 HZ PHE 23 -6.617 -15.105 0.070
195 H MET 24 H MET 24 0.164 -12.724 -2.670
196 HA MET 24 HA MET 24 -0.298 -15.190 -3.707
197 HB3 MET 24 HB3 MET 24 2.298 -14.038 -4.552
198 HG3 MET 24 HG3 MET 24 0.273 -13.481 -6.456
199 HE1 MET 24 HE1 MET 24 0.455 -15.030 -8.737
200 HE2 MET 24 HE2 MET 24 1.473 -16.488 -8.802
201 HE3 MET 24 HE3 MET 24 0.050 -16.445 -7.735
202 H THR 25 H THR 25 2.481 -14.060 -1.719
203 HA THR 25 HA THR 25 3.841 -16.593 -1.995
204 HB THR 25 HB THR 25 5.396 -15.390 -0.315
205 HG1 THR 25 HG1 THR 25 4.722 -13.013 -0.282
206 HG21 THR 25 HG21 THR 25 4.682 -13.664 -2.734
207 HG22 THR 25 HG22 THR 25 6.264 -13.804 -1.932
208 HG23 THR 25 HG23 THR 25 5.624 -15.167 -2.881
209 H TYR 26 H TYR 26 1.839 -14.880 0.446
210 HA TYR 26 HA TYR 26 2.215 -17.002 2.351
211 HB3 TYR 26 HB3 TYR 26 0.276 -15.519 3.406
212 HD1 TYR 26 HD1 TYR 26 3.684 -15.332 2.208
213 HD2 TYR 26 HD2 TYR 26 0.814 -13.444 4.758
214 HE1 TYR 26 HE1 TYR 26 5.556 -14.127 3.434
215 HE2 TYR 26 HE2 TYR 26 2.696 -12.245 5.976
216 HH TYR 26 HH TYR 26 5.997 -12.418 4.807
217 H ASN 27 H ASN 27 0.716 -17.111 -0.519
218 HA ASN 27 HA ASN 27 -1.903 -17.693 -0.044
219 HB3 ASN 27 HB3 ASN 27 -0.876 -19.533 -2.036
220 HD21 ASN 27 HD22 ASN 27 -1.263 -16.017 -2.229
221 HD22 ASN 27 HD21 ASN 27 -2.779 -16.000 -3.066
222 H LYS 28 H LYS 28 1.059 -19.774 0.087
223 HA LYS 28 HA LYS 28 1.354 -21.900 0.693
224 HB3 LYS 28 HB3 LYS 28 -0.491 -21.413 3.008
225 HG3 LYS 28 HG3 LYS 28 2.276 -22.608 2.560
226 HD3 LYS 28 HD3 LYS 28 1.038 -22.680 5.278
227 HE3 LYS 28 HE3 LYS 28 3.832 -21.810 5.004
228 HZ1 LYS 28 HZ1 LYS 28 2.805 -22.891 6.919
229 HZ2 LYS 28 HZ2 LYS 28 2.639 -24.276 6.067
230 HZ3 LYS 28 HZ3 LYS 28 4.129 -23.694 6.401
231 H LYS 29 H LYS 29 0.280 -22.826 -1.177
232 HA LYS 29 HA LYS 29 -2.399 -23.316 -1.402
233 HB3 LYS 29 HB3 LYS 29 -0.660 -23.674 -3.145
234 HG3 LYS 29 HG3 LYS 29 0.301 -25.597 -1.183
235 HD3 LYS 29 HD3 LYS 29 -0.963 -26.714 -3.612
236 HE3 LYS 29 HE3 LYS 29 1.982 -26.798 -3.313
237 HZ1 LYS 29 HZ1 LYS 29 0.579 -29.313 -3.851
238 HZ2 LYS 29 HZ2 LYS 29 2.185 -29.079 -3.670
239 HZ3 LYS 29 HZ3 LYS 29 1.191 -28.958 -2.380
Start of MODEL 20
1 H1 LYS 1 H1 LYS 1 -6.133 18.637 12.234
2 HA LYS 1 HA LYS 1 -5.053 18.074 10.248
3 HB3 LYS 1 HB3 LYS 1 -2.984 16.668 11.429
4 HG3 LYS 1 HG3 LYS 1 -3.217 19.600 12.015
5 HD3 LYS 1 HD3 LYS 1 -1.197 17.747 10.684
6 HE3 LYS 1 HE3 LYS 1 -1.499 20.228 9.716
7 HZ1 LYS 1 HZ1 LYS 1 -1.358 21.329 11.796
8 HZ2 LYS 1 HZ2 LYS 1 0.037 20.580 12.194
9 HZ3 LYS 1 HZ3 LYS 1 0.012 21.664 10.973
10 H HIS 2 H HIS 2 -6.592 16.711 9.115
11 HA HIS 2 HA HIS 2 -6.272 13.866 9.565
12 HB3 HIS 2 HB3 HIS 2 -8.026 14.330 7.409
13 HD1 HIS 2 HD1 HIS 2 -8.776 14.693 11.153
14 HD2 HIS 2 HD2 HIS 2 -9.284 11.972 8.001
15 HE1 HIS 2 HE1 HIS 2 -10.174 12.773 12.085
16 HE2 HIS 2 HE2 HIS 2 -10.499 11.159 10.088
17 H LEU 3 H LEU 3 -4.127 15.717 8.417
18 HA LEU 3 HA LEU 3 -3.797 15.572 5.752
19 HB3 LEU 3 HB3 LEU 3 -1.349 15.408 6.237
20 HG LEU 3 HG LEU 3 -2.248 17.308 8.318
21 HD11 LEU 3 HD11 LEU 3 0.016 17.397 7.535
22 HD12 LEU 3 HD12 LEU 3 -0.517 17.502 5.840
23 HD13 LEU 3 HD13 LEU 3 -0.834 18.850 6.958
24 HD21 LEU 3 HD21 LEU 3 -3.149 17.674 5.447
25 HD22 LEU 3 HD22 LEU 3 -4.208 17.320 6.833
26 HD23 LEU 3 HD23 LEU 3 -3.309 18.854 6.771
27 H LEU 4 H LEU 4 -3.587 12.897 8.106
28 HA LEU 4 HA LEU 4 -2.289 10.990 6.706
29 HB3 LEU 4 HB3 LEU 4 -3.490 9.383 7.974
30 HG LEU 4 HG LEU 4 -3.845 11.653 9.875
31 HD11 LEU 4 HD11 LEU 4 -4.143 9.499 10.795
32 HD12 LEU 4 HD12 LEU 4 -2.683 8.866 9.995
33 HD13 LEU 4 HD13 LEU 4 -2.531 10.038 11.326
34 HD21 LEU 4 HD21 LEU 4 -1.218 11.417 10.167
35 HD22 LEU 4 HD22 LEU 4 -1.304 11.072 8.422
36 HD23 LEU 4 HD23 LEU 4 -1.943 12.606 9.059
37 H GLN 5 H GLN 5 -5.466 12.413 6.013
38 HA GLN 5 HA GLN 5 -6.710 10.635 4.527
39 HB3 GLN 5 HB3 GLN 5 -6.227 13.528 3.688
40 HG3 GLN 5 HG3 GLN 5 -8.752 11.912 3.236
41 HE21 GLN 5 HE22 GLN 5 -8.807 12.700 0.521
42 HE22 GLN 5 HE21 GLN 5 -9.099 14.406 0.431
43 H THR 6 H THR 6 -3.606 12.158 3.737
44 HA THR 6 HA THR 6 -3.652 11.168 1.014
45 HB THR 6 HB THR 6 -2.652 13.405 1.813
46 HG1 THR 6 HG1 THR 6 -2.045 12.416 -0.215
47 HG21 THR 6 HG21 THR 6 -1.429 12.445 3.828
48 HG22 THR 6 HG22 THR 6 -0.391 11.541 2.701
49 HG23 THR 6 HG23 THR 6 -0.361 13.320 2.705
50 H VAL 7 H VAL 7 -1.727 10.559 4.027
51 HA VAL 7 HA VAL 7 -0.237 8.477 2.954
52 HB VAL 7 HB VAL 7 -1.128 8.713 5.825
53 HG11 VAL 7 HG11 VAL 7 1.192 7.895 6.255
54 HG12 VAL 7 HG12 VAL 7 0.184 6.738 5.355
55 HG13 VAL 7 HG13 VAL 7 1.410 7.703 4.499
56 HG21 VAL 7 HG21 VAL 7 0.648 10.513 4.218
57 HG22 VAL 7 HG22 VAL 7 -0.476 10.898 5.544
58 HG23 VAL 7 HG23 VAL 7 1.099 10.151 5.902
59 H LEU 8 H LEU 8 -3.499 8.568 4.451
60 HA LEU 8 HA LEU 8 -3.812 5.796 4.667
61 HB3 LEU 8 HB3 LEU 8 -5.221 8.055 5.368
62 HG LEU 8 HG LEU 8 -6.404 7.727 3.040
63 HD11 LEU 8 HD11 LEU 8 -8.271 5.925 4.470
64 HD12 LEU 8 HD12 LEU 8 -7.840 6.012 2.745
65 HD13 LEU 8 HD13 LEU 8 -6.755 5.191 3.893
66 HD21 LEU 8 HD21 LEU 8 -7.102 8.889 5.459
67 HD22 LEU 8 HD22 LEU 8 -7.906 9.133 3.890
68 HD23 LEU 8 HD23 LEU 8 -8.525 7.913 5.028
69 H HIS 9 H HIS 9 -3.955 8.037 1.944
70 HA HIS 9 HA HIS 9 -5.262 6.041 0.301
71 HB3 HIS 9 HB3 HIS 9 -4.497 8.205 -1.301
72 HD1 HIS 9 HD1 HIS 9 -7.368 7.840 1.236
73 HD2 HIS 9 HD2 HIS 9 -6.688 7.998 -2.900
74 HE1 HIS 9 HE1 HIS 9 -9.662 7.698 0.130
75 HE2 HIS 9 HE2 HIS 9 -9.184 7.856 -2.410
76 H ILE 10 H ILE 10 -2.080 7.571 0.869
77 HA ILE 10 HA ILE 10 -0.855 6.477 -1.429
78 HB ILE 10 HB ILE 10 0.173 7.653 1.145
79 HG13 ILE 10 HG13 ILE 10 0.566 9.602 -0.076
80 HG21 ILE 10 HG21 ILE 10 1.604 5.970 -0.707
81 HG22 ILE 10 HG22 ILE 10 2.259 7.625 -0.741
82 HG23 ILE 10 HG23 ILE 10 2.163 6.737 0.799
83 HD11 ILE 10 HD11 ILE 10 0.735 7.727 -2.369
84 HD12 ILE 10 HD12 ILE 10 -0.107 9.252 -2.734
85 HD13 ILE 10 HD13 ILE 10 1.559 9.282 -2.109
86 H ILE 11 H ILE 11 -0.733 5.549 2.086
87 HA ILE 11 HA ILE 11 0.731 3.222 1.665
88 HB ILE 11 HB ILE 11 -0.979 4.336 3.830
89 HG13 ILE 11 HG13 ILE 11 1.879 3.323 3.766
90 HG21 ILE 11 HG21 ILE 11 -1.664 1.996 3.792
91 HG22 ILE 11 HG22 ILE 11 0.040 1.482 3.824
92 HG23 ILE 11 HG23 ILE 11 -0.657 2.342 5.219
93 HD11 ILE 11 HD11 ILE 11 0.613 6.059 3.398
94 HD12 ILE 11 HD12 ILE 11 2.265 5.885 4.035
95 HD13 ILE 11 HD13 ILE 11 1.870 5.276 2.410
96 H GLN 12 H GLN 12 -2.513 4.037 0.802
97 HA GLN 12 HA GLN 12 -3.636 1.489 1.075
98 HB3 GLN 12 HB3 GLN 12 -4.779 3.099 -1.100
99 HG3 GLN 12 HG3 GLN 12 -5.798 2.472 1.711
100 HE21 GLN 12 HE22 GLN 12 -7.904 1.384 -0.443
101 HE22 GLN 12 HE21 GLN 12 -8.940 2.751 -0.682
102 H VAL 13 H VAL 13 -2.386 3.291 -1.830
103 HA VAL 13 HA VAL 13 -2.698 1.214 -3.631
104 HB VAL 13 HB VAL 13 -0.715 3.492 -3.518
105 HG11 VAL 13 HG11 VAL 13 -1.418 1.647 -5.826
106 HG12 VAL 13 HG12 VAL 13 -0.489 3.159 -5.975
107 HG13 VAL 13 HG13 VAL 13 0.162 1.805 -5.020
108 HG21 VAL 13 HG21 VAL 13 -2.866 4.430 -3.598
109 HG22 VAL 13 HG22 VAL 13 -2.349 4.392 -5.300
110 HG23 VAL 13 HG23 VAL 13 -3.481 3.163 -4.686
111 H VAL 14 H VAL 14 0.453 2.279 -2.159
112 HA VAL 14 HA VAL 14 2.043 0.289 -2.894
113 HB VAL 14 HB VAL 14 2.638 0.570 -0.184
114 HG11 VAL 14 HG11 VAL 14 4.490 1.747 -0.942
115 HG12 VAL 14 HG12 VAL 14 4.000 0.850 -2.400
116 HG13 VAL 14 HG13 VAL 14 3.575 2.570 -2.228
117 HG21 VAL 14 HG21 VAL 14 1.726 3.277 -1.163
118 HG22 VAL 14 HG22 VAL 14 0.651 2.216 -0.221
119 HG23 VAL 14 HG23 VAL 14 2.189 2.774 0.481
120 H ILE 15 H ILE 15 0.193 0.079 0.233
121 HA ILE 15 HA ILE 15 0.694 -2.579 0.687
122 HB ILE 15 HB ILE 15 -1.614 -0.799 1.443
123 HG13 ILE 15 HG13 ILE 15 0.356 -0.030 2.463
124 HG21 ILE 15 HG21 ILE 15 -2.465 -3.065 1.469
125 HG22 ILE 15 HG22 ILE 15 -1.050 -3.621 2.396
126 HG23 ILE 15 HG23 ILE 15 -2.213 -2.494 3.136
127 HD11 ILE 15 HD11 ILE 15 0.055 -0.507 4.820
128 HD12 ILE 15 HD12 ILE 15 -1.558 -0.538 4.066
129 HD13 ILE 15 HD13 ILE 15 -0.730 -2.064 4.458
130 H SER 16 H SER 16 -1.912 -1.039 -1.272
131 HA SER 16 HA SER 16 -3.278 -3.396 -1.776
132 HB3 SER 16 HB3 SER 16 -3.870 -1.920 -3.976
133 HG SER 16 HG SER 16 -5.639 -1.489 -2.841
134 H TYR 17 H TYR 17 -0.238 -2.138 -2.959
135 HA TYR 17 HA TYR 17 -0.299 -3.908 -5.284
136 HB3 TYR 17 HB3 TYR 17 1.507 -1.675 -4.178
137 HD1 TYR 17 HD1 TYR 17 3.391 -3.554 -4.351
138 HD2 TYR 17 HD2 TYR 17 1.394 -1.787 -7.696
139 HE1 TYR 17 HE1 TYR 17 5.324 -4.215 -5.863
140 HE2 TYR 17 HE2 TYR 17 3.334 -2.454 -9.197
141 HH TYR 17 HH TYR 17 5.560 -3.030 -9.109
142 H PHE 18 H PHE 18 0.923 -3.642 -2.010
143 HA PHE 18 HA PHE 18 3.058 -5.530 -2.508
144 HB3 PHE 18 HB3 PHE 18 3.167 -5.197 0.107
145 HD1 PHE 18 HD2 PHE 18 4.975 -4.703 -2.096
146 HD2 PHE 18 HD1 PHE 18 2.786 -1.919 0.242
147 HE1 PHE 18 HE2 PHE 18 6.690 -2.938 -2.592
148 HE2 PHE 18 HE1 PHE 18 4.500 -0.154 -0.254
149 HZ PHE 18 HZ PHE 18 6.432 -0.685 -1.665
150 H LEU 19 H LEU 19 0.018 -5.328 -0.523
151 HA LEU 19 HA LEU 19 0.076 -7.819 0.574
152 HB3 LEU 19 HB3 LEU 19 -2.450 -6.568 -0.476
153 HG LEU 19 HG LEU 19 -3.160 -7.104 1.944
154 HD11 LEU 19 HD11 LEU 19 -4.246 -8.220 0.177
155 HD12 LEU 19 HD12 LEU 19 -2.800 -9.179 -0.219
156 HD13 LEU 19 HD13 LEU 19 -3.697 -9.502 1.283
157 HD21 LEU 19 HD21 LEU 19 -1.015 -9.217 1.756
158 HD22 LEU 19 HD22 LEU 19 -0.758 -7.673 2.601
159 HD23 LEU 19 HD23 LEU 19 -2.040 -8.782 3.145
160 H MET 20 H MET 20 -0.686 -6.860 -2.777
161 HA MET 20 HA MET 20 -1.879 -9.222 -3.561
162 HB3 MET 20 HB3 MET 20 -0.723 -8.407 -5.867
163 HG3 MET 20 HG3 MET 20 -2.554 -6.314 -4.746
164 HE1 MET 20 HE1 MET 20 -4.574 -6.011 -5.866
165 HE2 MET 20 HE2 MET 20 -4.075 -5.218 -7.379
166 HE3 MET 20 HE3 MET 20 -5.090 -6.680 -7.431
167 H LEU 21 H LEU 21 1.338 -8.655 -2.512
168 HA LEU 21 HA LEU 21 2.255 -11.057 -3.935
169 HB3 LEU 21 HB3 LEU 21 3.350 -8.651 -4.179
170 HG LEU 21 HG LEU 21 3.936 -8.723 -1.622
171 HD11 LEU 21 HD11 LEU 21 5.713 -9.972 -0.904
172 HD12 LEU 21 HD12 LEU 21 4.999 -11.093 -2.087
173 HD13 LEU 21 HD13 LEU 21 6.420 -10.118 -2.531
174 HD21 LEU 21 HD21 LEU 21 5.250 -7.627 -3.960
175 HD22 LEU 21 HD22 LEU 21 4.965 -6.899 -2.360
176 HD23 LEU 21 HD23 LEU 21 6.409 -7.903 -2.636
177 H ILE 22 H ILE 22 1.808 -9.370 -0.834
178 HA ILE 22 HA ILE 22 3.284 -11.200 0.716
179 HB ILE 22 HB ILE 22 0.956 -9.538 1.655
180 HG13 ILE 22 HG13 ILE 22 2.072 -7.888 0.499
181 HG21 ILE 22 HG21 ILE 22 2.238 -9.410 3.728
182 HG22 ILE 22 HG22 ILE 22 1.922 -11.101 3.272
183 HG23 ILE 22 HG23 ILE 22 3.532 -10.393 3.003
184 HD11 ILE 22 HD11 ILE 22 2.117 -7.471 3.026
185 HD12 ILE 22 HD12 ILE 22 3.812 -8.016 2.997
186 HD13 ILE 22 HD13 ILE 22 3.326 -6.569 2.080
187 H PHE 23 H PHE 23 -0.269 -10.877 0.038
188 HA PHE 23 HA PHE 23 -0.734 -13.426 1.293
189 HB3 PHE 23 HB3 PHE 23 -2.563 -11.634 -0.407
190 HD1 PHE 23 HD1 PHE 23 -2.241 -14.739 1.042
191 HD2 PHE 23 HD2 PHE 23 -4.895 -11.427 0.988
192 HE1 PHE 23 HE1 PHE 23 -4.129 -16.240 1.740
193 HE2 PHE 23 HE2 PHE 23 -6.782 -12.929 1.686
194 HZ PHE 23 HZ PHE 23 -6.376 -15.317 2.053
195 H MET 24 H MET 24 0.893 -12.959 -1.366
196 HA MET 24 HA MET 24 -0.582 -15.009 -2.825
197 HB3 MET 24 HB3 MET 24 0.521 -13.871 -4.914
198 HG3 MET 24 HG3 MET 24 -1.377 -11.912 -3.644
199 HE1 MET 24 HE1 MET 24 -2.684 -10.597 -6.762
200 HE2 MET 24 HE2 MET 24 -3.683 -11.555 -5.644
201 HE3 MET 24 HE3 MET 24 -2.394 -10.505 -5.009
202 H THR 25 H THR 25 2.644 -13.316 -2.930
203 HA THR 25 HA THR 25 4.088 -15.476 -3.864
204 HB THR 25 HB THR 25 4.950 -13.203 -1.997
205 HG1 THR 25 HG1 THR 25 5.231 -12.161 -4.090
206 HG21 THR 25 HG21 THR 25 6.879 -14.585 -2.217
207 HG22 THR 25 HG22 THR 25 6.421 -15.112 -3.854
208 HG23 THR 25 HG23 THR 25 7.039 -13.464 -3.590
209 H TYR 26 H TYR 26 2.723 -14.924 -0.678
210 HA TYR 26 HA TYR 26 4.478 -16.809 0.600
211 HB3 TYR 26 HB3 TYR 26 2.582 -16.407 2.399
212 HD1 TYR 26 HD1 TYR 26 3.941 -13.687 0.181
213 HD2 TYR 26 HD2 TYR 26 3.662 -15.316 4.128
214 HE1 TYR 26 HE1 TYR 26 5.432 -11.825 1.063
215 HE2 TYR 26 HE2 TYR 26 5.154 -13.449 4.996
216 HH TYR 26 HH TYR 26 6.469 -11.798 4.449
217 H ASN 27 H ASN 27 2.164 -17.243 -1.710
218 HA ASN 27 HA ASN 27 0.338 -18.969 -0.749
219 HB3 ASN 27 HB3 ASN 27 1.132 -20.110 -3.217
220 HD21 ASN 27 HD22 ASN 27 0.144 -16.824 -3.477
221 HD22 ASN 27 HD21 ASN 27 -1.565 -17.066 -3.625
222 H LYS 28 H LYS 28 3.498 -19.898 -2.333
223 HA LYS 28 HA LYS 28 4.596 -21.848 -2.299
224 HB3 LYS 28 HB3 LYS 28 5.833 -22.060 -0.363
225 HG3 LYS 28 HG3 LYS 28 5.841 -19.800 0.800
226 HD3 LYS 28 HD3 LYS 28 5.605 -18.919 -1.989
227 HE3 LYS 28 HE3 LYS 28 8.241 -18.942 -1.544
228 HZ1 LYS 28 HZ1 LYS 28 6.200 -17.173 -1.003
229 HZ2 LYS 28 HZ2 LYS 28 7.221 -17.092 0.269
230 HZ3 LYS 28 HZ3 LYS 28 7.777 -16.829 -1.243
231 H LYS 29 H LYS 29 2.789 -23.063 -3.267
232 HA LYS 29 HA LYS 29 1.235 -24.654 -3.307
233 HB3 LYS 29 HB3 LYS 29 1.902 -26.736 -2.054
234 HG3 LYS 29 HG3 LYS 29 3.038 -25.556 -4.274
235 HD3 LYS 29 HD3 LYS 29 5.322 -26.293 -2.386
236 HE3 LYS 29 HE3 LYS 29 5.110 -26.112 -5.264
237 HZ1 LYS 29 HZ1 LYS 29 5.713 -23.967 -5.414
238 HZ2 LYS 29 HZ2 LYS 29 6.404 -23.900 -3.935
239 HZ3 LYS 29 HZ3 LYS 29 7.213 -24.573 -5.183