Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
530845 | 2ljt RC | 17958 | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 H1 LYS 1 HN LYS 1 1.806 0.000 0.856
2 HA LYS 1 HA LYS 1 1.414 -0.219 -2.050
3 HB2 LYS 1 HB1 LYS 1 3.461 1.287 -2.262
4 HB3 LYS 1 HB2 LYS 1 1.954 2.061 -1.791
5 HG2 LYS 1 HG1 LYS 1 3.767 1.138 0.367
6 HG3 LYS 1 HG2 LYS 1 4.236 2.564 -0.561
7 HD2 LYS 1 HD1 LYS 1 2.570 3.833 0.298
8 HD3 LYS 1 HD2 LYS 1 1.434 2.485 0.364
9 HE2 LYS 1 HE1 LYS 1 1.769 2.705 2.590
10 HE3 LYS 1 HE2 LYS 1 3.166 1.688 2.243
11 HZ1 LYS 1 HZ1 LYS 1 4.554 3.322 2.779
12 HZ2 LYS 1 HZ2 LYS 1 3.226 4.126 3.450
13 HZ3 LYS 1 HZ3 LYS 1 3.713 4.472 1.867
14 H TYR 2 HN TYR 2 1.817 -2.507 -1.487
15 HA TYR 2 HA TYR 2 4.494 -3.210 -0.646
16 HB2 TYR 2 HB1 TYR 2 2.048 -4.792 -1.399
17 HB3 TYR 2 HB2 TYR 2 3.609 -5.576 -1.182
18 HD1 TYR 2 HD2 TYR 2 4.833 -4.804 1.100
19 HD2 TYR 2 HD1 TYR 2 0.633 -4.796 0.415
20 HE1 TYR 2 HE2 TYR 2 4.442 -4.917 3.526
21 HE2 TYR 2 HE1 TYR 2 0.232 -4.908 2.839
22 HH TYR 2 HH TYR 2 2.932 -4.951 5.148
23 H TYR 3 HN TYR 3 5.636 -2.169 -2.389
24 HA TYR 3 HA TYR 3 5.300 -3.240 -5.064
25 HB2 TYR 3 HB1 TYR 3 7.068 -1.116 -3.870
26 HB3 TYR 3 HB2 TYR 3 7.309 -1.696 -5.514
27 HD1 TYR 3 HD2 TYR 3 5.395 -1.466 -7.163
28 HD2 TYR 3 HD1 TYR 3 5.422 0.493 -3.385
29 HE1 TYR 3 HE2 TYR 3 3.682 0.103 -7.970
30 HE2 TYR 3 HE1 TYR 3 3.708 2.066 -4.182
31 HH TYR 3 HH TYR 3 1.765 1.656 -6.487
32 H GLY 4 HN GLY 4 5.893 -5.343 -3.561
33 HA2 GLY 4 HA1 GLY 4 7.419 -7.110 -4.216
34 HA3 GLY 4 HA2 GLY 4 8.700 -5.909 -4.269
35 H ASN 5 HN ASN 5 9.435 -7.982 -2.925
36 HA ASN 5 HA ASN 5 8.622 -8.072 -0.199
37 HB2 ASN 5 HB1 ASN 5 10.891 -9.264 -1.763
38 HB3 ASN 5 HB2 ASN 5 10.872 -9.378 -0.005
39 HD21 ASN 5 HD21 ASN 5 9.530 -10.504 -2.953
40 HD22 ASN 5 HD22 ASN 5 8.493 -11.710 -2.278
41 H GLY 6 HN GLY 6 11.174 -6.415 -1.957
42 HA2 GLY 6 HA1 GLY 6 11.661 -4.202 -0.763
43 HA3 GLY 6 HA2 GLY 6 12.123 -5.243 0.576
44 H VAL 7 HN VAL 7 13.173 -7.200 -1.527
45 HA VAL 7 HA VAL 7 15.878 -6.376 -1.405
46 HB VAL 7 HB VAL 7 16.326 -8.303 -2.904
47 HG11 VAL 7 HG11 VAL 7 16.200 -9.719 -1.166
48 HG12 VAL 7 HG12 VAL 7 15.576 -8.320 -0.289
49 HG13 VAL 7 HG13 VAL 7 14.460 -9.497 -0.983
50 HG21 VAL 7 HG21 VAL 7 14.648 -8.686 -4.367
51 HG22 VAL 7 HG22 VAL 7 14.063 -9.749 -3.088
52 HG23 VAL 7 HG23 VAL 7 13.402 -8.123 -3.253
53 H HIS 8 HN HIS 8 13.452 -6.313 -3.972
54 HA HIS 8 HA HIS 8 15.245 -5.399 -5.994
55 HB2 HIS 8 HB1 HIS 8 12.985 -6.588 -6.302
56 HB3 HIS 8 HB2 HIS 8 12.259 -5.006 -6.033
57 HD1 HIS 8 HD1 HIS 8 12.427 -3.293 -7.923
58 HD2 HIS 8 HD2 HIS 8 14.395 -6.860 -8.736
59 HE1 HIS 8 HE1 HIS 8 12.994 -3.204 -10.371
60 H LEU 9 HN LEU 9 13.295 -3.862 -3.558
61 HA LEU 9 HA LEU 9 13.277 -1.256 -4.683
62 HB2 LEU 9 HB1 LEU 9 11.646 -1.619 -3.071
63 HB3 LEU 9 HB2 LEU 9 12.780 -2.381 -1.958
64 HG LEU 9 HG LEU 9 13.184 0.497 -2.563
65 HD11 LEU 9 HD11 LEU 9 10.753 -0.619 -1.322
66 HD12 LEU 9 HD12 LEU 9 11.011 0.924 -2.135
67 HD13 LEU 9 HD13 LEU 9 11.526 0.712 -0.462
68 HD21 LEU 9 HD21 LEU 9 14.650 0.120 -0.934
69 HD22 LEU 9 HD22 LEU 9 13.956 -1.462 -0.581
70 HD23 LEU 9 HD23 LEU 9 13.278 -0.015 0.166
71 H THR 10 HN THR 10 15.569 -3.052 -2.784
72 HA THR 10 HA THR 10 17.113 -0.857 -1.862
73 HB THR 10 HB THR 10 18.370 -3.523 -2.371
74 HG1 THR 10 HG1 THR 10 16.456 -2.973 -0.328
75 HG21 THR 10 HG21 THR 10 19.907 -2.651 -1.015
76 HG22 THR 10 HG22 THR 10 18.704 -2.550 0.271
77 HG23 THR 10 HG23 THR 10 18.936 -1.192 -0.830
78 H LYS 11 HN LYS 11 17.877 -3.253 -4.398
79 HA LYS 11 HA LYS 11 20.059 -1.840 -5.454
80 HB2 LYS 11 HB1 LYS 11 18.264 -3.979 -6.575
81 HB3 LYS 11 HB2 LYS 11 19.563 -3.280 -7.533
82 HG2 LYS 11 HG1 LYS 11 20.600 -5.120 -6.656
83 HG3 LYS 11 HG2 LYS 11 21.029 -3.894 -5.460
84 HD2 LYS 11 HD1 LYS 11 19.238 -4.639 -4.008
85 HD3 LYS 11 HD2 LYS 11 18.702 -5.803 -5.222
86 HE2 LYS 11 HE1 LYS 11 21.431 -5.825 -3.941
87 HE3 LYS 11 HE2 LYS 11 20.066 -6.785 -3.373
88 HZ1 LYS 11 HZ1 LYS 11 20.403 -8.280 -4.961
89 HZ2 LYS 11 HZ2 LYS 11 21.881 -7.522 -5.278
90 HZ3 LYS 11 HZ3 LYS 11 20.508 -7.106 -6.174
91 H SER 12 HN SER 12 16.629 -1.611 -6.046
92 HA SER 12 HA SER 12 16.713 -0.203 -8.485
93 HB2 SER 12 HB1 SER 12 14.629 -1.156 -7.848
94 HB3 SER 12 HB2 SER 12 14.651 -0.342 -6.284
95 HG SER 12 HG SER 12 14.176 0.750 -8.842
96 H GLY 13 HN GLY 13 15.879 1.147 -5.286
97 HA2 GLY 13 HA1 GLY 13 17.687 3.364 -5.643
98 HA3 GLY 13 HA2 GLY 13 15.996 3.804 -5.835
99 H LEU 14 HN LEU 14 17.959 1.849 -3.585
100 HA LEU 14 HA LEU 14 16.312 2.122 -1.367
101 HB2 LEU 14 HB1 LEU 14 18.032 1.227 -0.116
102 HB3 LEU 14 HB2 LEU 14 18.399 0.655 -1.743
103 HG LEU 14 HG LEU 14 19.899 2.860 -1.743
104 HD11 LEU 14 HD11 LEU 14 20.982 2.609 0.696
105 HD12 LEU 14 HD12 LEU 14 19.291 2.302 1.091
106 HD13 LEU 14 HD13 LEU 14 19.752 3.809 0.300
107 HD21 LEU 14 HD21 LEU 14 20.487 0.381 -2.032
108 HD22 LEU 14 HD22 LEU 14 20.905 0.418 -0.319
109 HD23 LEU 14 HD23 LEU 14 21.751 1.468 -1.457
110 H SER 15 HN SER 15 18.643 4.333 -2.719
111 HA SER 15 HA SER 15 18.843 6.039 -0.446
112 HB2 SER 15 HB1 SER 15 19.360 6.744 -3.343
113 HB3 SER 15 HB2 SER 15 19.984 7.580 -1.922
114 HG SER 15 HG SER 15 21.189 5.704 -3.191
115 H VAL 16 HN VAL 16 17.038 6.279 -3.505
116 HA VAL 16 HA VAL 16 15.689 8.677 -2.799
117 HB VAL 16 HB VAL 16 15.973 7.968 -5.138
118 HG11 VAL 16 HG11 VAL 16 14.390 6.220 -6.014
119 HG12 VAL 16 HG12 VAL 16 15.705 5.610 -5.007
120 HG13 VAL 16 HG13 VAL 16 14.081 5.768 -4.338
121 HG21 VAL 16 HG21 VAL 16 14.031 9.429 -4.229
122 HG22 VAL 16 HG22 VAL 16 13.968 8.849 -5.894
123 HG23 VAL 16 HG23 VAL 16 13.024 8.041 -4.643
124 H ASN 17 HN ASN 17 15.122 5.327 -2.144
125 HA ASN 17 HA ASN 17 12.337 5.545 -1.560
126 HB2 ASN 17 HB1 ASN 17 13.158 3.378 -2.120
127 HB3 ASN 17 HB2 ASN 17 14.419 3.464 -0.894
128 HD21 ASN 17 HD21 ASN 17 10.892 3.609 -1.205
129 HD22 ASN 17 HD22 ASN 17 10.557 2.711 0.233
130 H TRP 18 HN TRP 18 15.247 5.332 0.481
131 HA TRP 18 HA TRP 18 13.905 5.614 2.940
132 HB2 TRP 18 HB1 TRP 18 16.675 5.611 1.999
133 HB3 TRP 18 HB2 TRP 18 16.419 6.666 3.387
134 HD1 TRP 18 HD1 TRP 18 16.541 5.517 5.672
135 HE1 TRP 18 HE1 TRP 18 16.432 3.089 6.520
136 HE3 TRP 18 HE3 TRP 18 15.436 3.167 1.268
137 HZ2 TRP 18 HZ2 TRP 18 15.943 0.518 5.463
138 HZ3 TRP 18 HZ3 TRP 18 15.164 0.721 1.272
139 HH2 TRP 18 HH2 TRP 18 15.413 -0.574 3.327
140 H GLY 19 HN GLY 19 15.500 8.000 0.844
141 HA2 GLY 19 HA1 GLY 19 15.137 10.238 2.496
142 HA3 GLY 19 HA2 GLY 19 15.330 10.287 0.750
143 H GLU 20 HN GLU 20 12.967 8.703 0.195
144 HA GLU 20 HA GLU 20 11.055 10.812 0.156
145 HB2 GLU 20 HB1 GLU 20 11.177 8.007 -0.814
146 HB3 GLU 20 HB2 GLU 20 9.578 8.698 -0.581
147 HG2 GLU 20 HG1 GLU 20 10.077 10.493 -2.102
148 HG3 GLU 20 HG2 GLU 20 11.744 9.942 -2.259
149 H ALA 21 HN ALA 21 11.411 7.845 2.033
150 HA ALA 21 HA ALA 21 8.909 7.999 3.353
151 HB1 ALA 21 HB1 ALA 21 11.105 6.700 4.811
152 HB2 ALA 21 HB2 ALA 21 9.520 6.078 4.348
153 HB3 ALA 21 HB3 ALA 21 10.834 6.105 3.172
154 H PHE 22 HN PHE 22 12.078 9.347 4.014
155 HA PHE 22 HA PHE 22 11.564 10.146 6.685
156 HB2 PHE 22 HB1 PHE 22 13.830 9.938 5.491
157 HB3 PHE 22 HB2 PHE 22 13.488 11.532 4.828
158 HD1 PHE 22 HD1 PHE 22 13.482 13.495 6.241
159 HD2 PHE 22 HD2 PHE 22 14.320 9.638 7.835
160 HE1 PHE 22 HE1 PHE 22 14.372 14.537 8.284
161 HE2 PHE 22 HE2 PHE 22 15.211 10.674 9.881
162 HZ PHE 22 HZ PHE 22 15.237 13.126 10.108
163 H SER 23 HN SER 23 11.318 11.821 3.572
164 HA SER 23 HA SER 23 10.716 14.372 4.440
165 HB2 SER 23 HB1 SER 23 9.667 12.876 2.029
166 HB3 SER 23 HB2 SER 23 9.453 14.608 2.280
167 HG SER 23 HG SER 23 11.450 13.525 1.101
168 H ALA 24 HN ALA 24 8.368 11.811 3.630
169 HA ALA 24 HA ALA 24 6.076 13.191 4.436
170 HB1 ALA 24 HB1 ALA 24 6.729 10.553 3.558
171 HB2 ALA 24 HB2 ALA 24 5.634 10.454 4.938
172 HB3 ALA 24 HB3 ALA 24 5.176 11.387 3.513
173 H GLY 25 HN GLY 25 8.367 11.251 6.270
174 HA2 GLY 25 HA1 GLY 25 6.829 11.046 8.642
175 HA3 GLY 25 HA2 GLY 25 8.570 10.839 8.522
176 H VAL 26 HN VAL 26 9.045 13.492 7.441
177 HA VAL 26 HA VAL 26 9.522 14.903 9.792
178 HB VAL 26 HB VAL 26 9.213 16.046 7.012
179 HG11 VAL 26 HG11 VAL 26 9.330 17.972 8.182
180 HG12 VAL 26 HG12 VAL 26 10.031 17.193 9.602
181 HG13 VAL 26 HG13 VAL 26 11.052 17.596 8.221
182 HG21 VAL 26 HG21 VAL 26 11.301 14.439 8.294
183 HG22 VAL 26 HG22 VAL 26 10.973 14.718 6.584
184 HG23 VAL 26 HG23 VAL 26 11.887 15.907 7.511
185 H HIS 27 HN HIS 27 6.771 14.996 7.601
186 HA HIS 27 HA HIS 27 5.519 17.291 8.643
187 HB2 HIS 27 HB1 HIS 27 5.015 15.812 6.506
188 HB3 HIS 27 HB2 HIS 27 3.878 15.024 7.596
189 HD1 HIS 27 HD1 HIS 27 2.778 17.442 9.104
190 HD2 HIS 27 HD2 HIS 27 3.379 17.363 4.994
191 HE1 HIS 27 HE1 HIS 27 1.237 19.194 8.166
192 H ARG 28 HN ARG 28 5.326 13.881 9.538
193 HA ARG 28 HA ARG 28 3.231 14.180 11.425
194 HB2 ARG 28 HB1 ARG 28 4.098 12.029 10.311
195 HB3 ARG 28 HB2 ARG 28 5.346 12.043 11.550
196 HG2 ARG 28 HG1 ARG 28 2.507 12.272 12.400
197 HG3 ARG 28 HG2 ARG 28 3.111 10.702 11.868
198 HD2 ARG 28 HD1 ARG 28 5.096 11.319 13.503
199 HD3 ARG 28 HD2 ARG 28 3.854 12.326 14.246
200 HE ARG 28 HE ARG 28 4.080 9.500 14.420
201 HH11 ARG 28 HH11 ARG 28 1.759 12.089 14.244
202 HH12 ARG 28 HH12 ARG 28 0.520 11.210 15.077
203 HH21 ARG 28 HH21 ARG 28 2.456 8.332 15.517
204 HH22 ARG 28 HH22 ARG 28 0.918 9.074 15.801
205 H LEU 29 HN LEU 29 6.740 14.355 11.640
206 HA LEU 29 HA LEU 29 6.902 14.419 14.465
207 HB2 LEU 29 HB1 LEU 29 8.719 15.121 12.213
208 HB3 LEU 29 HB2 LEU 29 9.132 15.674 13.835
209 HG LEU 29 HG LEU 29 8.568 12.779 13.289
210 HD11 LEU 29 HD11 LEU 29 10.833 12.362 12.769
211 HD12 LEU 29 HD12 LEU 29 11.301 14.022 13.135
212 HD13 LEU 29 HD13 LEU 29 10.322 13.677 11.710
213 HD21 LEU 29 HD21 LEU 29 8.653 13.556 15.613
214 HD22 LEU 29 HD22 LEU 29 10.272 14.198 15.335
215 HD23 LEU 29 HD23 LEU 29 9.983 12.460 15.239
216 H ALA 30 HN ALA 30 6.862 16.990 12.014
217 HA ALA 30 HA ALA 30 7.115 19.162 13.768
218 HB1 ALA 30 HB1 ALA 30 7.261 19.090 11.196
219 HB2 ALA 30 HB2 ALA 30 5.513 19.327 11.242
220 HB3 ALA 30 HB3 ALA 30 6.585 20.527 11.963
221 H ASN 31 HN ASN 31 4.198 17.636 12.414
222 HA ASN 31 HA ASN 31 2.504 19.257 14.136
223 HB2 ASN 31 HB1 ASN 31 1.962 17.288 11.923
224 HB3 ASN 31 HB2 ASN 31 0.669 17.868 12.969
225 HD21 ASN 31 HD21 ASN 31 2.993 18.732 10.531
226 HD22 ASN 31 HD22 ASN 31 2.283 20.249 10.108
227 H GLY 32 HN GLY 32 3.759 18.081 15.965
228 HA2 GLY 32 HA1 GLY 32 1.931 16.142 17.076
229 HA3 GLY 32 HA2 GLY 32 3.520 15.486 16.712
230 H GLY 33 HN GLY 33 5.288 17.298 17.462
231 HA2 GLY 33 HA1 GLY 33 5.392 17.090 20.242
232 HA3 GLY 33 HA2 GLY 33 6.369 18.189 19.279
233 H ASN 34 HN ASN 34 5.611 20.318 18.897
234 HA ASN 34 HA ASN 34 3.877 21.278 21.038
235 HB2 ASN 34 HB1 ASN 34 5.307 23.060 19.090
236 HB3 ASN 34 HB2 ASN 34 4.870 23.376 20.766
237 HD21 ASN 34 HD21 ASN 34 6.101 22.408 22.427
238 HD22 ASN 34 HD22 ASN 34 7.723 21.886 22.140
239 H GLY 35 HN GLY 35 2.408 23.161 20.460
240 HA2 GLY 35 HA1 GLY 35 1.415 23.529 17.858
241 HA3 GLY 35 HA2 GLY 35 0.449 22.291 18.646
242 H PHE 36 HN PHE 36 0.225 25.324 17.834
243 HA PHE 36 HA PHE 36 -0.712 26.382 20.391
244 HB2 PHE 36 HB1 PHE 36 -0.976 28.515 19.132
245 HB3 PHE 36 HB2 PHE 36 0.668 27.885 19.093
246 HD1 PHE 36 HD2 PHE 36 -2.385 28.448 17.140
247 HD2 PHE 36 HD1 PHE 36 1.663 27.136 17.050
248 HE1 PHE 36 HE2 PHE 36 -2.409 28.553 14.683
249 HE2 PHE 36 HE1 PHE 36 1.646 27.240 14.592
250 HZ PHE 36 HZ PHE 36 -0.393 27.948 13.405
251 H TRP 37 HN TRP 37 -2.097 24.232 18.871
252 HA TRP 37 HA TRP 37 -4.752 25.393 19.011
253 HB2 TRP 37 HB1 TRP 37 -5.443 24.711 16.806
254 HB3 TRP 37 HB2 TRP 37 -4.010 25.723 16.645
255 HD1 TRP 37 HD1 TRP 37 -1.748 24.532 15.834
256 HE1 TRP 37 HE1 TRP 37 -1.330 22.314 14.596
257 HE3 TRP 37 HE3 TRP 37 -6.298 22.321 16.572
258 HZ2 TRP 37 HZ2 TRP 37 -2.743 19.942 14.010
259 HZ3 TRP 37 HZ3 TRP 37 -6.684 20.077 15.640
260 HH2 TRP 37 HH2 TRP 37 -4.942 18.914 14.385
Start of MODEL 2
1 H1 LYS 1 HN LYS 1 11.112 3.512 7.912
2 HA LYS 1 HA LYS 1 10.283 1.434 8.319
3 HB2 LYS 1 HB1 LYS 1 8.952 2.756 10.691
4 HB3 LYS 1 HB2 LYS 1 9.184 1.027 10.466
5 HG2 LYS 1 HG1 LYS 1 11.595 2.747 10.381
6 HG3 LYS 1 HG2 LYS 1 10.813 2.506 11.945
7 HD2 LYS 1 HD1 LYS 1 12.195 0.701 11.980
8 HD3 LYS 1 HD2 LYS 1 10.844 -0.028 11.110
9 HE2 LYS 1 HE1 LYS 1 12.935 -0.541 9.996
10 HE3 LYS 1 HE2 LYS 1 11.947 0.509 8.981
11 HZ1 LYS 1 HZ1 LYS 1 14.549 0.931 9.676
12 HZ2 LYS 1 HZ2 LYS 1 13.700 1.984 10.692
13 HZ3 LYS 1 HZ3 LYS 1 13.499 2.081 9.015
14 H TYR 2 HN TYR 2 8.872 3.110 6.522
15 HA TYR 2 HA TYR 2 6.049 2.813 7.018
16 HB2 TYR 2 HB1 TYR 2 7.221 4.674 5.660
17 HB3 TYR 2 HB2 TYR 2 7.269 3.495 4.354
18 HD1 TYR 2 HD2 TYR 2 4.859 5.044 6.750
19 HD2 TYR 2 HD1 TYR 2 5.486 3.386 2.882
20 HE1 TYR 2 HE2 TYR 2 2.561 5.655 6.122
21 HE2 TYR 2 HE1 TYR 2 3.190 3.994 2.242
22 HH TYR 2 HH TYR 2 1.434 5.463 2.865
23 H TYR 3 HN TYR 3 4.607 1.517 5.821
24 HA TYR 3 HA TYR 3 5.719 -1.045 5.070
25 HB2 TYR 3 HB1 TYR 3 2.853 -0.083 5.168
26 HB3 TYR 3 HB2 TYR 3 3.354 -1.744 4.870
27 HD1 TYR 3 HD2 TYR 3 3.110 0.916 7.393
28 HD2 TYR 3 HD1 TYR 3 4.127 -3.151 6.667
29 HE1 TYR 3 HE2 TYR 3 3.119 0.492 9.816
30 HE2 TYR 3 HE1 TYR 3 4.138 -3.587 9.088
31 HH TYR 3 HH TYR 3 4.491 -2.161 11.213
32 H GLY 4 HN GLY 4 6.877 -0.193 3.184
33 HA2 GLY 4 HA1 GLY 4 5.109 0.309 0.877
34 HA3 GLY 4 HA2 GLY 4 6.792 0.805 0.982
35 H ASN 5 HN ASN 5 4.672 -1.491 -0.220
36 HA ASN 5 HA ASN 5 6.442 -3.744 -0.248
37 HB2 ASN 5 HB1 ASN 5 3.795 -3.100 -1.494
38 HB3 ASN 5 HB2 ASN 5 4.713 -4.482 -2.087
39 HD21 ASN 5 HD21 ASN 5 2.167 -4.080 -0.464
40 HD22 ASN 5 HD22 ASN 5 2.356 -5.168 0.865
41 H GLY 6 HN GLY 6 8.371 -2.978 -1.165
42 HA2 GLY 6 HA1 GLY 6 8.248 -2.735 -4.094
43 HA3 GLY 6 HA2 GLY 6 9.138 -1.534 -3.170
44 H VAL 7 HN VAL 7 8.988 -4.956 -4.007
45 HA VAL 7 HA VAL 7 11.434 -5.693 -2.788
46 HB VAL 7 HB VAL 7 9.793 -7.380 -3.387
47 HG11 VAL 7 HG11 VAL 7 9.335 -6.012 -5.633
48 HG12 VAL 7 HG12 VAL 7 10.417 -7.247 -6.278
49 HG13 VAL 7 HG13 VAL 7 8.929 -7.718 -5.457
50 HG21 VAL 7 HG21 VAL 7 11.263 -9.030 -4.238
51 HG22 VAL 7 HG22 VAL 7 12.227 -7.831 -5.100
52 HG23 VAL 7 HG23 VAL 7 12.267 -7.893 -3.338
53 H HIS 8 HN HIS 8 10.597 -4.583 -6.036
54 HA HIS 8 HA HIS 8 13.215 -4.947 -7.110
55 HB2 HIS 8 HB1 HIS 8 12.395 -3.748 -9.047
56 HB3 HIS 8 HB2 HIS 8 11.155 -4.875 -8.502
57 HD1 HIS 8 HD1 HIS 8 11.551 -1.489 -9.558
58 HD2 HIS 8 HD2 HIS 8 9.164 -3.429 -6.764
59 HE1 HIS 8 HE1 HIS 8 9.645 0.085 -9.093
60 H LEU 9 HN LEU 9 11.560 -2.353 -5.457
61 HA LEU 9 HA LEU 9 13.280 -0.236 -6.132
62 HB2 LEU 9 HB1 LEU 9 11.269 0.396 -5.158
63 HB3 LEU 9 HB2 LEU 9 11.423 -0.774 -3.850
64 HG LEU 9 HG LEU 9 13.402 1.437 -3.950
65 HD11 LEU 9 HD11 LEU 9 11.596 2.832 -4.305
66 HD12 LEU 9 HD12 LEU 9 11.666 2.751 -2.545
67 HD13 LEU 9 HD13 LEU 9 10.481 1.787 -3.425
68 HD21 LEU 9 HD21 LEU 9 13.854 0.443 -2.011
69 HD22 LEU 9 HD22 LEU 9 12.372 -0.512 -2.074
70 HD23 LEU 9 HD23 LEU 9 12.342 1.121 -1.406
71 H THR 10 HN THR 10 13.673 -2.918 -4.013
72 HA THR 10 HA THR 10 15.628 -1.818 -2.276
73 HB THR 10 HB THR 10 15.315 -4.729 -3.025
74 HG1 THR 10 HG1 THR 10 13.354 -4.276 -2.236
75 HG21 THR 10 HG21 THR 10 16.718 -5.212 -1.336
76 HG22 THR 10 HG22 THR 10 16.021 -3.981 -0.283
77 HG23 THR 10 HG23 THR 10 17.232 -3.532 -1.482
78 H LYS 11 HN LYS 11 16.033 -4.180 -4.924
79 HA LYS 11 HA LYS 11 18.854 -3.852 -5.026
80 HB2 LYS 11 HB1 LYS 11 16.807 -5.248 -6.690
81 HB3 LYS 11 HB2 LYS 11 18.404 -4.987 -7.378
82 HG2 LYS 11 HG1 LYS 11 18.438 -6.082 -4.667
83 HG3 LYS 11 HG2 LYS 11 17.674 -7.128 -5.866
84 HD2 LYS 11 HD1 LYS 11 19.826 -6.455 -7.267
85 HD3 LYS 11 HD2 LYS 11 20.495 -6.215 -5.651
86 HE2 LYS 11 HE1 LYS 11 19.271 -8.609 -5.343
87 HE3 LYS 11 HE2 LYS 11 19.728 -8.695 -7.043
88 HZ1 LYS 11 HZ1 LYS 11 21.384 -9.520 -5.300
89 HZ2 LYS 11 HZ2 LYS 11 21.685 -7.886 -4.987
90 HZ3 LYS 11 HZ3 LYS 11 21.969 -8.517 -6.531
91 H SER 12 HN SER 12 16.174 -2.275 -6.586
92 HA SER 12 HA SER 12 17.545 -1.132 -8.764
93 HB2 SER 12 HB1 SER 12 15.096 -1.202 -8.646
94 HB3 SER 12 HB2 SER 12 15.121 -0.095 -7.273
95 HG SER 12 HG SER 12 15.394 1.519 -8.594
96 H GLY 13 HN GLY 13 17.453 -0.343 -5.397
97 HA2 GLY 13 HA1 GLY 13 19.633 1.122 -5.088
98 HA3 GLY 13 HA2 GLY 13 18.583 2.314 -5.841
99 H LEU 14 HN LEU 14 18.325 -0.120 -3.242
100 HA LEU 14 HA LEU 14 16.359 1.169 -1.765
101 HB2 LEU 14 HB1 LEU 14 16.838 -0.309 -0.036
102 HB3 LEU 14 HB2 LEU 14 17.332 -1.176 -1.488
103 HG LEU 14 HG LEU 14 19.241 0.293 0.325
104 HD11 LEU 14 HD11 LEU 14 17.854 -2.030 0.929
105 HD12 LEU 14 HD12 LEU 14 19.337 -1.457 1.691
106 HD13 LEU 14 HD13 LEU 14 19.421 -2.593 0.345
107 HD21 LEU 14 HD21 LEU 14 19.481 -1.285 -2.169
108 HD22 LEU 14 HD22 LEU 14 20.718 -1.533 -0.936
109 HD23 LEU 14 HD23 LEU 14 20.437 0.080 -1.591
110 H SER 15 HN SER 15 19.744 1.847 -2.033
111 HA SER 15 HA SER 15 20.003 3.371 0.360
112 HB2 SER 15 HB1 SER 15 21.898 2.334 -0.977
113 HB3 SER 15 HB2 SER 15 21.694 3.654 -2.129
114 HG SER 15 HG SER 15 23.011 4.657 -0.829
115 H VAL 16 HN VAL 16 19.742 4.331 -3.065
116 HA VAL 16 HA VAL 16 19.469 7.101 -2.492
117 HB VAL 16 HB VAL 16 20.258 6.240 -4.676
118 HG11 VAL 16 HG11 VAL 16 18.792 4.353 -4.962
119 HG12 VAL 16 HG12 VAL 16 17.378 5.408 -5.007
120 HG13 VAL 16 HG13 VAL 16 18.564 5.464 -6.312
121 HG21 VAL 16 HG21 VAL 16 18.688 8.447 -4.161
122 HG22 VAL 16 HG22 VAL 16 19.641 8.169 -5.620
123 HG23 VAL 16 HG23 VAL 16 17.932 7.732 -5.585
124 H ASN 17 HN ASN 17 17.236 4.448 -2.695
125 HA ASN 17 HA ASN 17 14.875 6.016 -3.027
126 HB2 ASN 17 HB1 ASN 17 15.426 3.164 -2.267
127 HB3 ASN 17 HB2 ASN 17 13.799 3.822 -2.118
128 HD21 ASN 17 HD21 ASN 17 13.105 5.078 -4.148
129 HD22 ASN 17 HD22 ASN 17 13.410 4.282 -5.651
130 H TRP 18 HN TRP 18 16.774 4.962 -0.305
131 HA TRP 18 HA TRP 18 14.829 5.391 1.711
132 HB2 TRP 18 HB1 TRP 18 17.100 4.124 1.824
133 HB3 TRP 18 HB2 TRP 18 17.778 5.709 2.188
134 HD1 TRP 18 HD1 TRP 18 17.929 6.214 4.684
135 HE1 TRP 18 HE1 TRP 18 16.717 5.418 6.811
136 HE3 TRP 18 HE3 TRP 18 14.469 3.121 2.538
137 HZ2 TRP 18 HZ2 TRP 18 14.578 3.706 7.489
138 HZ3 TRP 18 HZ3 TRP 18 12.877 1.941 3.997
139 HH2 TRP 18 HH2 TRP 18 12.932 2.228 6.421
140 H GLY 19 HN GLY 19 17.598 7.393 0.671
141 HA2 GLY 19 HA1 GLY 19 17.112 9.590 2.303
142 HA3 GLY 19 HA2 GLY 19 17.924 9.663 0.746
143 H GLU 20 HN GLU 20 15.697 8.774 -0.822
144 HA GLU 20 HA GLU 20 14.392 11.273 -1.196
145 HB2 GLU 20 HB1 GLU 20 14.193 8.565 -2.449
146 HB3 GLU 20 HB2 GLU 20 12.930 9.745 -2.767
147 HG2 GLU 20 HG1 GLU 20 15.778 10.533 -3.126
148 HG3 GLU 20 HG2 GLU 20 14.992 9.537 -4.350
149 H ALA 21 HN ALA 21 13.346 8.138 0.083
150 HA ALA 21 HA ALA 21 10.647 8.862 0.512
151 HB1 ALA 21 HB1 ALA 21 11.697 6.874 2.369
152 HB2 ALA 21 HB2 ALA 21 10.409 6.740 1.171
153 HB3 ALA 21 HB3 ALA 21 12.091 6.538 0.683
154 H PHE 22 HN PHE 22 13.551 9.162 2.463
155 HA PHE 22 HA PHE 22 12.375 9.733 4.934
156 HB2 PHE 22 HB1 PHE 22 14.890 9.374 4.218
157 HB3 PHE 22 HB2 PHE 22 14.888 11.131 4.113
158 HD1 PHE 22 HD2 PHE 22 13.993 12.394 6.198
159 HD2 PHE 22 HD1 PHE 22 15.319 8.350 6.238
160 HE1 PHE 22 HE2 PHE 22 14.352 12.539 8.628
161 HE2 PHE 22 HE1 PHE 22 15.679 8.488 8.668
162 HZ PHE 22 HZ PHE 22 15.196 10.585 9.866
163 H SER 23 HN SER 23 13.483 11.969 2.394
164 HA SER 23 HA SER 23 12.798 14.359 3.609
165 HB2 SER 23 HB1 SER 23 12.654 13.677 0.662
166 HB3 SER 23 HB2 SER 23 12.687 15.308 1.332
167 HG SER 23 HG SER 23 14.752 14.093 0.610
168 H ALA 24 HN ALA 24 10.785 12.179 1.685
169 HA ALA 24 HA ALA 24 8.500 13.755 1.472
170 HB1 ALA 24 HB1 ALA 24 9.211 11.197 0.737
171 HB2 ALA 24 HB2 ALA 24 7.894 10.941 1.883
172 HB3 ALA 24 HB3 ALA 24 7.644 11.959 0.464
173 H GLY 25 HN GLY 25 9.130 11.193 3.885
174 HA2 GLY 25 HA1 GLY 25 6.887 11.565 5.459
175 HA3 GLY 25 HA2 GLY 25 8.429 10.976 6.062
176 H VAL 26 HN VAL 26 9.913 13.370 5.493
177 HA VAL 26 HA VAL 26 9.569 14.758 7.890
178 HB VAL 26 HB VAL 26 10.913 15.727 5.363
179 HG11 VAL 26 HG11 VAL 26 10.929 17.670 6.503
180 HG12 VAL 26 HG12 VAL 26 10.613 16.886 8.052
181 HG13 VAL 26 HG13 VAL 26 12.248 16.908 7.391
182 HG21 VAL 26 HG21 VAL 26 11.575 13.568 6.963
183 HG22 VAL 26 HG22 VAL 26 12.646 14.404 5.839
184 HG23 VAL 26 HG23 VAL 26 12.623 14.863 7.541
185 H HIS 27 HN HIS 27 8.193 15.289 4.717
186 HA HIS 27 HA HIS 27 7.270 17.920 5.092
187 HB2 HIS 27 HB1 HIS 27 7.391 16.664 2.905
188 HB3 HIS 27 HB2 HIS 27 5.940 15.799 3.401
189 HD1 HIS 27 HD1 HIS 27 3.821 17.468 3.936
190 HD2 HIS 27 HD2 HIS 27 6.885 18.958 1.557
191 HE1 HIS 27 HE1 HIS 27 2.838 19.446 2.733
192 H ARG 28 HN ARG 28 5.765 14.781 5.738
193 HA ARG 28 HA ARG 28 3.269 15.849 6.579
194 HB2 ARG 28 HB1 ARG 28 3.690 13.486 5.798
195 HB3 ARG 28 HB2 ARG 28 4.452 13.181 7.353
196 HG2 ARG 28 HG1 ARG 28 2.287 12.386 7.623
197 HG3 ARG 28 HG2 ARG 28 2.244 13.982 8.376
198 HD2 ARG 28 HD1 ARG 28 0.278 13.715 7.026
199 HD3 ARG 28 HD2 ARG 28 1.335 14.897 6.255
200 HE ARG 28 HE ARG 28 1.462 13.511 4.452
201 HH11 ARG 28 HH11 ARG 28 0.508 11.633 7.224
202 HH12 ARG 28 HH12 ARG 28 0.268 10.176 6.318
203 HH21 ARG 28 HH21 ARG 28 1.150 11.599 3.248
204 HH22 ARG 28 HH22 ARG 28 0.634 10.158 4.057
205 H LEU 29 HN LEU 29 6.242 14.961 8.247
206 HA LEU 29 HA LEU 29 5.302 15.126 10.882
207 HB2 LEU 29 HB1 LEU 29 7.957 15.307 9.564
208 HB3 LEU 29 HB2 LEU 29 7.829 15.854 11.234
209 HG LEU 29 HG LEU 29 7.146 13.090 10.232
210 HD11 LEU 29 HD11 LEU 29 9.533 14.186 11.699
211 HD12 LEU 29 HD12 LEU 29 9.500 13.344 10.150
212 HD13 LEU 29 HD13 LEU 29 9.136 12.468 11.637
213 HD21 LEU 29 HD21 LEU 29 5.871 13.086 12.081
214 HD22 LEU 29 HD22 LEU 29 6.670 14.503 12.762
215 HD23 LEU 29 HD23 LEU 29 7.410 12.910 12.924
216 H ALA 30 HN ALA 30 6.490 17.593 8.669
217 HA ALA 30 HA ALA 30 6.639 19.699 10.556
218 HB1 ALA 30 HB1 ALA 30 7.278 19.366 7.874
219 HB2 ALA 30 HB2 ALA 30 6.025 20.608 7.881
220 HB3 ALA 30 HB3 ALA 30 7.490 20.827 8.838
221 H ASN 31 HN ASN 31 4.015 18.243 8.839
222 HA ASN 31 HA ASN 31 2.147 20.007 10.207
223 HB2 ASN 31 HB1 ASN 31 2.790 20.513 7.558
224 HB3 ASN 31 HB2 ASN 31 1.303 19.577 7.446
225 HD21 ASN 31 HD21 ASN 31 2.160 22.525 7.156
226 HD22 ASN 31 HD22 ASN 31 0.924 23.373 8.014
227 H GLY 32 HN GLY 32 1.308 18.369 11.414
228 HA2 GLY 32 HA1 GLY 32 -0.611 16.888 11.463
229 HA3 GLY 32 HA2 GLY 32 -0.091 16.253 9.909
230 H GLY 33 HN GLY 33 2.276 16.846 12.370
231 HA2 GLY 33 HA1 GLY 33 2.634 13.934 12.628
232 HA3 GLY 33 HA2 GLY 33 3.893 15.136 12.867
233 H ASN 34 HN ASN 34 2.303 16.896 14.503
234 HA ASN 34 HA ASN 34 2.573 15.457 17.011
235 HB2 ASN 34 HB1 ASN 34 2.191 17.702 18.035
236 HB3 ASN 34 HB2 ASN 34 3.554 17.662 16.920
237 HD21 ASN 34 HD21 ASN 34 3.635 19.160 15.404
238 HD22 ASN 34 HD22 ASN 34 2.323 20.169 14.909
239 H GLY 35 HN GLY 35 0.884 15.910 18.736
240 HA2 GLY 35 HA1 GLY 35 -1.828 16.190 17.686
241 HA3 GLY 35 HA2 GLY 35 -1.422 14.652 18.433
242 H PHE 36 HN PHE 36 -1.607 18.134 19.022
243 HA PHE 36 HA PHE 36 -1.594 17.680 21.903
244 HB2 PHE 36 HB1 PHE 36 -0.249 19.533 21.050
245 HB3 PHE 36 HB2 PHE 36 -1.674 20.246 20.301
246 HD1 PHE 36 HD2 PHE 36 -0.031 19.491 23.506
247 HD2 PHE 36 HD1 PHE 36 -3.218 21.534 21.561
248 HE1 PHE 36 HE2 PHE 36 -0.481 20.749 25.572
249 HE2 PHE 36 HE1 PHE 36 -3.673 22.796 23.624
250 HZ PHE 36 HZ PHE 36 -2.305 22.403 25.634
251 H TRP 37 HN TRP 37 -3.737 18.744 19.328
252 HA TRP 37 HA TRP 37 -5.912 19.187 21.221
253 HB2 TRP 37 HB1 TRP 37 -5.384 20.694 19.193
254 HB3 TRP 37 HB2 TRP 37 -6.127 19.421 18.228
255 HD1 TRP 37 HD1 TRP 37 -8.736 18.718 19.356
256 HE1 TRP 37 HE1 TRP 37 -10.606 20.398 19.908
257 HE3 TRP 37 HE3 TRP 37 -5.923 22.971 19.731
258 HZ2 TRP 37 HZ2 TRP 37 -10.856 23.160 20.433
259 HZ3 TRP 37 HZ3 TRP 37 -7.055 25.090 20.261
260 HH2 TRP 37 HH2 TRP 37 -9.471 25.181 20.604
Start of MODEL 3
1 H1 LYS 1 HN LYS 1 -2.543 -1.449 4.492
2 HA LYS 1 HA LYS 1 -1.730 -1.146 6.717
3 HB2 LYS 1 HB1 LYS 1 -1.594 -3.545 7.589
4 HB3 LYS 1 HB2 LYS 1 -3.075 -3.076 6.765
5 HG2 LYS 1 HG1 LYS 1 -0.929 -4.322 5.141
6 HG3 LYS 1 HG2 LYS 1 -1.835 -5.353 6.250
7 HD2 LYS 1 HD1 LYS 1 -3.366 -3.501 4.499
8 HD3 LYS 1 HD2 LYS 1 -2.636 -4.927 3.758
9 HE2 LYS 1 HE1 LYS 1 -4.233 -5.207 6.268
10 HE3 LYS 1 HE2 LYS 1 -5.060 -5.040 4.720
11 HZ1 LYS 1 HZ1 LYS 1 -4.806 -7.237 4.582
12 HZ2 LYS 1 HZ2 LYS 1 -3.636 -7.290 5.801
13 HZ3 LYS 1 HZ3 LYS 1 -3.185 -6.923 4.212
14 H TYR 2 HN TYR 2 0.452 -0.392 5.330
15 HA TYR 2 HA TYR 2 2.595 -1.491 6.945
16 HB2 TYR 2 HB1 TYR 2 2.392 -1.893 4.002
17 HB3 TYR 2 HB2 TYR 2 3.978 -1.512 4.663
18 HD1 TYR 2 HD1 TYR 2 4.227 -2.933 7.093
19 HD2 TYR 2 HD2 TYR 2 2.196 -4.142 3.555
20 HE1 TYR 2 HE1 TYR 2 4.530 -5.289 7.731
21 HE2 TYR 2 HE2 TYR 2 2.492 -6.501 4.185
22 HH TYR 2 HH TYR 2 3.823 -7.886 5.559
23 H TYR 3 HN TYR 3 4.526 -0.173 6.903
24 HA TYR 3 HA TYR 3 3.876 2.629 6.535
25 HB2 TYR 3 HB1 TYR 3 5.986 3.053 7.714
26 HB3 TYR 3 HB2 TYR 3 4.981 1.914 8.603
27 HD1 TYR 3 HD2 TYR 3 8.013 2.274 6.545
28 HD2 TYR 3 HD1 TYR 3 5.691 -0.349 8.960
29 HE1 TYR 3 HE2 TYR 3 9.885 0.680 6.604
30 HE2 TYR 3 HE1 TYR 3 7.557 -1.950 9.026
31 HH TYR 3 HH TYR 3 10.587 -1.267 8.396
32 H GLY 4 HN GLY 4 5.773 0.161 5.003
33 HA2 GLY 4 HA1 GLY 4 6.674 2.161 3.029
34 HA3 GLY 4 HA2 GLY 4 7.764 0.916 3.619
35 H ASN 5 HN ASN 5 7.059 1.358 0.893
36 HA ASN 5 HA ASN 5 6.304 -1.317 0.191
37 HB2 ASN 5 HB1 ASN 5 4.070 -0.440 0.483
38 HB3 ASN 5 HB2 ASN 5 4.451 0.972 -0.499
39 HD21 ASN 5 HD21 ASN 5 4.394 -2.566 -0.662
40 HD22 ASN 5 HD22 ASN 5 3.848 -2.653 -2.299
41 H GLY 6 HN GLY 6 8.337 -1.304 -0.805
42 HA2 GLY 6 HA1 GLY 6 8.341 -0.451 -3.519
43 HA3 GLY 6 HA2 GLY 6 9.360 0.595 -2.542
44 H VAL 7 HN VAL 7 8.853 -2.735 -3.585
45 HA VAL 7 HA VAL 7 11.227 -3.791 -2.461
46 HB VAL 7 HB VAL 7 10.911 -5.667 -4.054
47 HG11 VAL 7 HG11 VAL 7 8.253 -4.977 -2.851
48 HG12 VAL 7 HG12 VAL 7 9.040 -6.551 -2.977
49 HG13 VAL 7 HG13 VAL 7 9.649 -5.348 -1.840
50 HG21 VAL 7 HG21 VAL 7 10.018 -5.003 -6.021
51 HG22 VAL 7 HG22 VAL 7 8.499 -5.379 -5.209
52 HG23 VAL 7 HG23 VAL 7 9.071 -3.713 -5.280
53 H HIS 8 HN HIS 8 10.467 -2.395 -5.617
54 HA HIS 8 HA HIS 8 13.021 -2.952 -6.761
55 HB2 HIS 8 HB1 HIS 8 10.962 -2.582 -8.105
56 HB3 HIS 8 HB2 HIS 8 10.978 -0.891 -7.615
57 HD1 HIS 8 HD1 HIS 8 11.716 0.441 -9.556
58 HD2 HIS 8 HD2 HIS 8 13.887 -3.082 -9.192
59 HE1 HIS 8 HE1 HIS 8 13.439 0.522 -11.385
60 H LEU 9 HN LEU 9 11.659 -0.316 -4.918
61 HA LEU 9 HA LEU 9 13.577 1.656 -5.490
62 HB2 LEU 9 HB1 LEU 9 11.652 2.424 -4.442
63 HB3 LEU 9 HB2 LEU 9 11.703 1.163 -3.212
64 HG LEU 9 HG LEU 9 13.895 3.165 -3.212
65 HD11 LEU 9 HD11 LEU 9 12.630 4.841 -2.121
66 HD12 LEU 9 HD12 LEU 9 11.201 3.811 -2.040
67 HD13 LEU 9 HD13 LEU 9 11.753 4.433 -3.596
68 HD21 LEU 9 HD21 LEU 9 14.267 2.010 -1.347
69 HD22 LEU 9 HD22 LEU 9 12.695 1.215 -1.441
70 HD23 LEU 9 HD23 LEU 9 12.839 2.797 -0.673
71 H THR 10 HN THR 10 13.721 -1.182 -3.552
72 HA THR 10 HA THR 10 15.798 -0.399 -1.786
73 HB THR 10 HB THR 10 15.249 -3.222 -2.702
74 HG1 THR 10 HG1 THR 10 14.015 -1.969 -0.477
75 HG21 THR 10 HG21 THR 10 16.443 -3.912 -0.900
76 HG22 THR 10 HG22 THR 10 15.930 -2.549 0.096
77 HG23 THR 10 HG23 THR 10 17.215 -2.339 -1.093
78 H LYS 11 HN LYS 11 15.930 -2.615 -4.583
79 HA LYS 11 HA LYS 11 18.768 -2.565 -4.716
80 HB2 LYS 11 HB1 LYS 11 16.618 -3.537 -6.584
81 HB3 LYS 11 HB2 LYS 11 18.317 -3.592 -7.034
82 HG2 LYS 11 HG1 LYS 11 18.820 -5.202 -5.466
83 HG3 LYS 11 HG2 LYS 11 17.435 -4.796 -4.451
84 HD2 LYS 11 HD1 LYS 11 15.926 -5.751 -6.118
85 HD3 LYS 11 HD2 LYS 11 17.303 -6.134 -7.154
86 HE2 LYS 11 HE1 LYS 11 16.828 -7.230 -4.383
87 HE3 LYS 11 HE2 LYS 11 16.521 -8.090 -5.891
88 HZ1 LYS 11 HZ1 LYS 11 19.019 -7.597 -4.525
89 HZ2 LYS 11 HZ2 LYS 11 19.077 -7.340 -6.195
90 HZ3 LYS 11 HZ3 LYS 11 18.593 -8.843 -5.587
91 H SER 12 HN SER 12 16.243 -0.634 -6.130
92 HA SER 12 HA SER 12 17.700 0.506 -8.254
93 HB2 SER 12 HB1 SER 12 15.259 1.322 -6.712
94 HB3 SER 12 HB2 SER 12 15.982 2.443 -7.865
95 HG SER 12 HG SER 12 14.994 -0.165 -8.381
96 H GLY 13 HN GLY 13 17.717 1.084 -4.842
97 HA2 GLY 13 HA1 GLY 13 20.036 2.305 -4.479
98 HA3 GLY 13 HA2 GLY 13 19.101 3.639 -5.136
99 H LEU 14 HN LEU 14 18.639 1.081 -2.691
100 HA LEU 14 HA LEU 14 16.823 2.454 -1.102
101 HB2 LEU 14 HB1 LEU 14 17.179 0.830 0.524
102 HB3 LEU 14 HB2 LEU 14 17.568 0.014 -0.989
103 HG LEU 14 HG LEU 14 19.634 1.174 0.875
104 HD11 LEU 14 HD11 LEU 14 19.167 -1.751 0.600
105 HD12 LEU 14 HD12 LEU 14 18.116 -0.820 1.666
106 HD13 LEU 14 HD13 LEU 14 19.858 -0.836 1.940
107 HD21 LEU 14 HD21 LEU 14 19.688 -0.270 -1.712
108 HD22 LEU 14 HD22 LEU 14 20.916 -0.695 -0.520
109 HD23 LEU 14 HD23 LEU 14 20.770 0.971 -1.081
110 H SER 15 HN SER 15 20.253 2.824 -1.390
111 HA SER 15 HA SER 15 20.689 4.157 1.089
112 HB2 SER 15 HB1 SER 15 22.803 4.977 -0.175
113 HB3 SER 15 HB2 SER 15 22.634 3.252 0.148
114 HG SER 15 HG SER 15 22.560 4.626 -2.252
115 H VAL 16 HN VAL 16 20.456 5.357 -2.260
116 HA VAL 16 HA VAL 16 20.463 8.098 -1.510
117 HB VAL 16 HB VAL 16 21.129 7.324 -3.759
118 HG11 VAL 16 HG11 VAL 16 19.342 6.793 -5.399
119 HG12 VAL 16 HG12 VAL 16 19.513 5.580 -4.129
120 HG13 VAL 16 HG13 VAL 16 18.187 6.742 -4.068
121 HG21 VAL 16 HG21 VAL 16 18.785 9.122 -4.182
122 HG22 VAL 16 HG22 VAL 16 20.113 9.658 -3.152
123 HG23 VAL 16 HG23 VAL 16 20.420 9.232 -4.836
124 H ASN 17 HN ASN 17 17.975 5.690 -1.865
125 HA ASN 17 HA ASN 17 15.778 7.506 -2.010
126 HB2 ASN 17 HB1 ASN 17 16.022 4.559 -1.449
127 HB3 ASN 17 HB2 ASN 17 14.474 5.388 -1.311
128 HD21 ASN 17 HD21 ASN 17 14.038 6.856 -3.290
129 HD22 ASN 17 HD22 ASN 17 14.296 6.106 -4.825
130 H TRP 18 HN TRP 18 17.649 6.122 0.560
131 HA TRP 18 HA TRP 18 15.888 6.316 2.702
132 HB2 TRP 18 HB1 TRP 18 18.375 5.445 2.527
133 HB3 TRP 18 HB2 TRP 18 18.755 7.071 3.087
134 HD1 TRP 18 HD1 TRP 18 17.927 7.736 5.572
135 HE1 TRP 18 HE1 TRP 18 17.370 6.274 7.616
136 HE3 TRP 18 HE3 TRP 18 17.392 3.226 3.224
137 HZ2 TRP 18 HZ2 TRP 18 16.783 3.568 8.162
138 HZ3 TRP 18 HZ3 TRP 18 16.833 1.250 4.580
139 HH2 TRP 18 HH2 TRP 18 16.535 1.419 6.997
140 H GLY 19 HN GLY 19 18.154 8.768 1.458
141 HA2 GLY 19 HA1 GLY 19 17.535 10.785 3.302
142 HA3 GLY 19 HA2 GLY 19 18.188 11.050 1.692
143 H GLU 20 HN GLU 20 16.040 9.983 0.197
144 HA GLU 20 HA GLU 20 14.339 12.246 0.101
145 HB2 GLU 20 HB1 GLU 20 14.230 9.552 -1.247
146 HB3 GLU 20 HB2 GLU 20 13.026 10.800 -1.535
147 HG2 GLU 20 HG1 GLU 20 14.528 12.188 -2.612
148 HG3 GLU 20 HG2 GLU 20 15.929 11.404 -1.883
149 H ALA 21 HN ALA 21 13.915 8.955 1.324
150 HA ALA 21 HA ALA 21 11.169 9.192 1.954
151 HB1 ALA 21 HB1 ALA 21 12.683 7.387 3.677
152 HB2 ALA 21 HB2 ALA 21 11.347 7.052 2.575
153 HB3 ALA 21 HB3 ALA 21 12.996 7.151 1.957
154 H PHE 22 HN PHE 22 14.100 10.046 3.664
155 HA PHE 22 HA PHE 22 12.988 10.357 6.237
156 HB2 PHE 22 HB1 PHE 22 15.486 10.342 5.418
157 HB3 PHE 22 HB2 PHE 22 15.247 12.083 5.297
158 HD1 PHE 22 HD1 PHE 22 14.968 9.233 7.660
159 HD2 PHE 22 HD2 PHE 22 15.460 13.433 7.176
160 HE1 PHE 22 HE1 PHE 22 15.415 9.455 10.069
161 HE2 PHE 22 HE2 PHE 22 15.908 13.662 9.584
162 HZ PHE 22 HZ PHE 22 15.887 11.671 11.034
163 H SER 23 HN SER 23 13.749 12.806 3.759
164 HA SER 23 HA SER 23 12.639 14.991 5.101
165 HB2 SER 23 HB1 SER 23 14.130 15.101 3.082
166 HB3 SER 23 HB2 SER 23 12.746 14.622 2.099
167 HG SER 23 HG SER 23 13.397 17.052 2.930
168 H ALA 24 HN ALA 24 11.164 12.515 3.125
169 HA ALA 24 HA ALA 24 8.704 13.749 2.596
170 HB1 ALA 24 HB1 ALA 24 9.861 11.178 2.242
171 HB2 ALA 24 HB2 ALA 24 8.264 10.973 2.963
172 HB3 ALA 24 HB3 ALA 24 8.442 11.867 1.453
173 H GLY 25 HN GLY 25 9.723 11.693 5.311
174 HA2 GLY 25 HA1 GLY 25 7.246 11.575 6.625
175 HA3 GLY 25 HA2 GLY 25 8.814 11.372 7.393
176 H VAL 26 HN VAL 26 9.973 13.807 7.138
177 HA VAL 26 HA VAL 26 8.863 15.284 9.221
178 HB VAL 26 HB VAL 26 10.698 16.312 7.052
179 HG11 VAL 26 HG11 VAL 26 10.220 18.257 8.093
180 HG12 VAL 26 HG12 VAL 26 9.658 17.458 9.562
181 HG13 VAL 26 HG13 VAL 26 11.386 17.664 9.274
182 HG21 VAL 26 HG21 VAL 26 11.623 14.331 8.099
183 HG22 VAL 26 HG22 VAL 26 12.511 15.761 8.627
184 HG23 VAL 26 HG23 VAL 26 11.329 15.011 9.700
185 H HIS 27 HN HIS 27 8.487 15.630 5.730
186 HA HIS 27 HA HIS 27 7.115 18.090 5.748
187 HB2 HIS 27 HB1 HIS 27 8.143 16.969 3.739
188 HB3 HIS 27 HB2 HIS 27 6.770 15.866 3.731
189 HD1 HIS 27 HD1 HIS 27 5.597 16.594 1.643
190 HD2 HIS 27 HD2 HIS 27 6.497 19.781 4.152
191 HE1 HIS 27 HE1 HIS 27 4.444 18.589 0.635
192 H ARG 28 HN ARG 28 5.980 14.745 5.926
193 HA ARG 28 HA ARG 28 3.218 15.342 5.802
194 HB2 ARG 28 HB1 ARG 28 4.877 12.991 6.499
195 HB3 ARG 28 HB2 ARG 28 3.253 13.015 7.172
196 HG2 ARG 28 HG1 ARG 28 3.904 13.314 4.248
197 HG3 ARG 28 HG2 ARG 28 3.400 11.813 5.028
198 HD2 ARG 28 HD1 ARG 28 1.491 13.655 5.818
199 HD3 ARG 28 HD2 ARG 28 1.812 14.073 4.136
200 HE ARG 28 HE ARG 28 0.757 12.148 3.503
201 HH11 ARG 28 HH11 ARG 28 1.602 11.914 6.872
202 HH12 ARG 28 HH12 ARG 28 0.750 10.425 7.117
203 HH21 ARG 28 HH21 ARG 28 -0.368 10.188 3.812
204 HH22 ARG 28 HH22 ARG 28 -0.370 9.444 5.375
205 H LEU 29 HN LEU 29 5.498 15.036 8.475
206 HA LEU 29 HA LEU 29 3.643 15.110 10.582
207 HB2 LEU 29 HB1 LEU 29 6.546 15.697 10.298
208 HB3 LEU 29 HB2 LEU 29 5.728 16.207 11.773
209 HG LEU 29 HG LEU 29 5.592 13.366 10.815
210 HD11 LEU 29 HD11 LEU 29 7.623 14.328 12.796
211 HD12 LEU 29 HD12 LEU 29 7.985 14.257 11.072
212 HD13 LEU 29 HD13 LEU 29 7.545 12.787 11.942
213 HD21 LEU 29 HD21 LEU 29 4.717 14.892 13.138
214 HD22 LEU 29 HD22 LEU 29 5.633 13.445 13.563
215 HD23 LEU 29 HD23 LEU 29 4.192 13.312 12.554
216 H ALA 30 HN ALA 30 5.543 17.739 9.109
217 HA ALA 30 HA ALA 30 4.487 19.827 10.646
218 HB1 ALA 30 HB1 ALA 30 6.415 19.636 8.744
219 HB2 ALA 30 HB2 ALA 30 5.159 20.518 7.875
220 HB3 ALA 30 HB3 ALA 30 5.793 21.154 9.393
221 H ASN 31 HN ASN 31 3.526 18.681 7.411
222 HA ASN 31 HA ASN 31 1.157 20.368 7.489
223 HB2 ASN 31 HB1 ASN 31 2.684 19.916 5.425
224 HB3 ASN 31 HB2 ASN 31 1.772 18.415 5.294
225 HD21 ASN 31 HD21 ASN 31 1.775 20.370 3.324
226 HD22 ASN 31 HD22 ASN 31 0.191 21.053 3.216
227 H GLY 32 HN GLY 32 0.124 19.274 9.265
228 HA2 GLY 32 HA1 GLY 32 -1.988 17.717 8.754
229 HA3 GLY 32 HA2 GLY 32 -0.707 16.517 8.857
230 H GLY 33 HN GLY 33 0.787 17.041 10.901
231 HA2 GLY 33 HA1 GLY 33 -1.084 17.037 13.167
232 HA3 GLY 33 HA2 GLY 33 0.528 16.337 13.168
233 H ASN 34 HN ASN 34 -1.339 19.260 13.497
234 HA ASN 34 HA ASN 34 1.065 20.809 14.112
235 HB2 ASN 34 HB1 ASN 34 -0.316 22.765 13.976
236 HB3 ASN 34 HB2 ASN 34 -0.715 21.743 12.599
237 HD21 ASN 34 HD21 ASN 34 -2.734 20.908 12.408
238 HD22 ASN 34 HD22 ASN 34 -4.033 21.284 13.484
239 H GLY 35 HN GLY 35 1.690 21.204 16.134
240 HA2 GLY 35 HA1 GLY 35 1.403 21.761 18.400
241 HA3 GLY 35 HA2 GLY 35 -0.276 21.256 18.289
242 H PHE 36 HN PHE 36 -0.426 18.779 17.699
243 HA PHE 36 HA PHE 36 0.965 17.418 19.849
244 HB2 PHE 36 HB1 PHE 36 -1.501 17.137 19.402
245 HB3 PHE 36 HB2 PHE 36 -1.068 16.268 17.932
246 HD1 PHE 36 HD1 PHE 36 0.099 16.203 21.480
247 HD2 PHE 36 HD2 PHE 36 -1.352 14.009 18.133
248 HE1 PHE 36 HE1 PHE 36 0.281 14.117 22.772
249 HE2 PHE 36 HE2 PHE 36 -1.174 11.920 19.421
250 HZ PHE 36 HZ PHE 36 -0.357 11.972 21.743
251 H TRP 37 HN TRP 37 3.080 17.232 19.117
252 HA TRP 37 HA TRP 37 3.567 15.847 16.597
253 HB2 TRP 37 HB1 TRP 37 5.893 16.423 16.916
254 HB3 TRP 37 HB2 TRP 37 4.910 17.853 17.218
255 HD1 TRP 37 HD1 TRP 37 4.938 18.868 19.655
256 HE1 TRP 37 HE1 TRP 37 6.404 18.429 21.724
257 HE3 TRP 37 HE3 TRP 37 7.149 14.504 18.170
258 HZ2 TRP 37 HZ2 TRP 37 8.254 16.489 22.609
259 HZ3 TRP 37 HZ3 TRP 37 8.755 13.421 19.686
260 HH2 TRP 37 HH2 TRP 37 9.296 14.394 21.859
Start of MODEL 4
1 H1 LYS 1 HN LYS 1 2.374 -3.673 7.596
2 HA LYS 1 HA LYS 1 -0.257 -3.328 6.402
3 HB2 LYS 1 HB1 LYS 1 0.642 -1.775 8.836
4 HB3 LYS 1 HB2 LYS 1 -0.766 -1.379 7.860
5 HG2 LYS 1 HG1 LYS 1 -0.356 -3.917 9.429
6 HG3 LYS 1 HG2 LYS 1 -1.406 -2.570 9.875
7 HD2 LYS 1 HD1 LYS 1 -2.458 -3.011 7.514
8 HD3 LYS 1 HD2 LYS 1 -1.738 -4.610 7.720
9 HE2 LYS 1 HE1 LYS 1 -3.867 -4.883 8.600
10 HE3 LYS 1 HE2 LYS 1 -2.888 -4.574 10.033
11 HZ1 LYS 1 HZ1 LYS 1 -4.213 -2.882 10.497
12 HZ2 LYS 1 HZ2 LYS 1 -5.102 -3.129 9.080
13 HZ3 LYS 1 HZ3 LYS 1 -3.751 -2.111 9.063
14 H TYR 2 HN TYR 2 0.135 -2.323 4.551
15 HA TYR 2 HA TYR 2 1.094 -1.000 2.964
16 HB2 TYR 2 HB1 TYR 2 1.215 0.803 5.381
17 HB3 TYR 2 HB2 TYR 2 1.653 1.345 3.765
18 HD1 TYR 2 HD2 TYR 2 -0.126 1.153 1.931
19 HD2 TYR 2 HD1 TYR 2 -1.017 0.832 6.079
20 HE1 TYR 2 HE2 TYR 2 -2.486 1.657 1.457
21 HE2 TYR 2 HE1 TYR 2 -3.380 1.333 5.616
22 HH TYR 2 HH TYR 2 -4.506 1.986 2.309
23 H TYR 3 HN TYR 3 2.837 -2.858 4.376
24 HA TYR 3 HA TYR 3 5.372 -1.509 4.696
25 HB2 TYR 3 HB1 TYR 3 4.764 -3.447 6.106
26 HB3 TYR 3 HB2 TYR 3 4.740 -4.469 4.673
27 HD1 TYR 3 HD2 TYR 3 7.101 -1.968 6.155
28 HD2 TYR 3 HD1 TYR 3 6.571 -5.845 4.485
29 HE1 TYR 3 HE2 TYR 3 9.503 -2.412 6.438
30 HE2 TYR 3 HE1 TYR 3 8.971 -6.301 4.765
31 HH TYR 3 HH TYR 3 11.219 -4.183 5.089
32 H GLY 4 HN GLY 4 5.077 -0.675 2.384
33 HA2 GLY 4 HA1 GLY 4 5.393 -2.380 0.167
34 HA3 GLY 4 HA2 GLY 4 5.781 -0.666 0.200
35 H ASN 5 HN ASN 5 7.021 -3.784 -0.033
36 HA ASN 5 HA ASN 5 9.608 -3.367 1.071
37 HB2 ASN 5 HB1 ASN 5 10.220 -5.435 -0.076
38 HB3 ASN 5 HB2 ASN 5 8.656 -5.616 0.715
39 HD21 ASN 5 HD21 ASN 5 6.816 -5.841 -0.516
40 HD22 ASN 5 HD22 ASN 5 6.861 -6.153 -2.215
41 H GLY 6 HN GLY 6 8.259 -3.081 -2.190
42 HA2 GLY 6 HA1 GLY 6 9.069 -2.074 -4.086
43 HA3 GLY 6 HA2 GLY 6 9.979 -1.038 -2.997
44 H VAL 7 HN VAL 7 10.041 -4.099 -4.745
45 HA VAL 7 HA VAL 7 12.730 -4.756 -4.150
46 HB VAL 7 HB VAL 7 12.582 -6.279 -6.104
47 HG11 VAL 7 HG11 VAL 7 11.727 -6.863 -3.822
48 HG12 VAL 7 HG12 VAL 7 10.111 -6.436 -4.388
49 HG13 VAL 7 HG13 VAL 7 10.988 -7.767 -5.143
50 HG21 VAL 7 HG21 VAL 7 11.275 -5.461 -7.756
51 HG22 VAL 7 HG22 VAL 7 10.014 -6.353 -6.905
52 HG23 VAL 7 HG23 VAL 7 10.201 -4.620 -6.638
53 H HIS 8 HN HIS 8 11.214 -2.962 -6.790
54 HA HIS 8 HA HIS 8 13.621 -2.631 -8.286
55 HB2 HIS 8 HB1 HIS 8 11.074 -1.003 -8.413
56 HB3 HIS 8 HB2 HIS 8 12.338 -1.059 -9.637
57 HD1 HIS 8 HD1 HIS 8 12.716 -3.634 -10.621
58 HD2 HIS 8 HD2 HIS 8 9.040 -2.703 -8.924
59 HE1 HIS 8 HE1 HIS 8 11.117 -5.370 -11.488
60 H LEU 9 HN LEU 9 12.013 -0.834 -5.754
61 HA LEU 9 HA LEU 9 13.370 1.612 -6.031
62 HB2 LEU 9 HB1 LEU 9 11.498 1.673 -4.659
63 HB3 LEU 9 HB2 LEU 9 11.986 0.233 -3.767
64 HG LEU 9 HG LEU 9 13.689 2.651 -3.502
65 HD11 LEU 9 HD11 LEU 9 11.578 3.710 -3.298
66 HD12 LEU 9 HD12 LEU 9 12.174 3.443 -1.660
67 HD13 LEU 9 HD13 LEU 9 10.931 2.386 -2.328
68 HD21 LEU 9 HD21 LEU 9 14.555 1.262 -1.995
69 HD22 LEU 9 HD22 LEU 9 13.193 0.150 -2.135
70 HD23 LEU 9 HD23 LEU 9 13.100 1.525 -1.033
71 H THR 10 HN THR 10 14.383 -1.445 -4.818
72 HA THR 10 HA THR 10 16.482 -0.566 -3.124
73 HB THR 10 HB THR 10 16.461 -3.193 -4.601
74 HG1 THR 10 HG1 THR 10 14.674 -3.638 -3.574
75 HG21 THR 10 HG21 THR 10 17.859 -3.970 -2.944
76 HG22 THR 10 HG22 THR 10 17.280 -2.800 -1.758
77 HG23 THR 10 HG23 THR 10 18.376 -2.288 -3.042
78 H LYS 11 HN LYS 11 16.671 -2.078 -6.353
79 HA LYS 11 HA LYS 11 19.386 -1.338 -6.740
80 HB2 LYS 11 HB1 LYS 11 17.235 -2.438 -8.522
81 HB3 LYS 11 HB2 LYS 11 18.774 -1.922 -9.199
82 HG2 LYS 11 HG1 LYS 11 19.966 -3.526 -7.889
83 HG3 LYS 11 HG2 LYS 11 18.507 -3.945 -6.987
84 HD2 LYS 11 HD1 LYS 11 18.620 -5.667 -8.521
85 HD3 LYS 11 HD2 LYS 11 17.554 -4.526 -9.345
86 HE2 LYS 11 HE1 LYS 11 19.421 -3.691 -10.653
87 HE3 LYS 11 HE2 LYS 11 20.530 -4.753 -9.786
88 HZ1 LYS 11 HZ1 LYS 11 19.799 -6.580 -10.896
89 HZ2 LYS 11 HZ2 LYS 11 19.521 -5.423 -12.098
90 HZ3 LYS 11 HZ3 LYS 11 18.239 -5.972 -11.139
91 H SER 12 HN SER 12 16.342 0.202 -7.403
92 HA SER 12 HA SER 12 17.195 2.050 -9.350
93 HB2 SER 12 HB1 SER 12 14.833 1.672 -8.977
94 HB3 SER 12 HB2 SER 12 14.966 2.229 -7.309
95 HG SER 12 HG SER 12 14.154 3.852 -8.717
96 H GLY 13 HN GLY 13 17.627 1.915 -5.920
97 HA2 GLY 13 HA1 GLY 13 19.680 3.531 -5.527
98 HA3 GLY 13 HA2 GLY 13 18.413 4.725 -5.767
99 H LEU 14 HN LEU 14 18.805 1.686 -3.936
100 HA LEU 14 HA LEU 14 17.021 2.290 -1.897
101 HB2 LEU 14 HB1 LEU 14 17.898 0.479 -0.737
102 HB3 LEU 14 HB2 LEU 14 18.218 0.094 -2.427
103 HG LEU 14 HG LEU 14 20.267 1.257 -0.545
104 HD11 LEU 14 HD11 LEU 14 19.337 -1.086 -0.007
105 HD12 LEU 14 HD12 LEU 14 21.084 -0.871 -0.112
106 HD13 LEU 14 HD13 LEU 14 20.202 -1.593 -1.458
107 HD21 LEU 14 HD21 LEU 14 20.226 0.465 -3.395
108 HD22 LEU 14 HD22 LEU 14 21.659 0.027 -2.465
109 HD23 LEU 14 HD23 LEU 14 21.161 1.716 -2.576
110 H SER 15 HN SER 15 20.244 3.429 -2.442
111 HA SER 15 HA SER 15 20.785 4.291 0.219
112 HB2 SER 15 HB1 SER 15 21.981 5.152 -2.425
113 HB3 SER 15 HB2 SER 15 22.607 5.620 -0.845
114 HG SER 15 HG SER 15 23.402 3.671 -0.567
115 H VAL 16 HN VAL 16 19.892 6.092 -2.728
116 HA VAL 16 HA VAL 16 19.482 8.548 -1.359
117 HB VAL 16 HB VAL 16 19.981 8.372 -3.796
118 HG11 VAL 16 HG11 VAL 16 18.536 6.506 -4.355
119 HG12 VAL 16 HG12 VAL 16 17.108 7.467 -3.964
120 HG13 VAL 16 HG13 VAL 16 18.122 7.910 -5.338
121 HG21 VAL 16 HG21 VAL 16 18.166 10.119 -2.465
122 HG22 VAL 16 HG22 VAL 16 19.258 10.473 -3.804
123 HG23 VAL 16 HG23 VAL 16 17.622 9.899 -4.128
124 H ASN 17 HN ASN 17 17.499 5.773 -1.956
125 HA ASN 17 HA ASN 17 14.970 7.027 -1.608
126 HB2 ASN 17 HB1 ASN 17 15.954 4.197 -1.600
127 HB3 ASN 17 HB2 ASN 17 14.325 4.547 -1.027
128 HD21 ASN 17 HD21 ASN 17 13.120 6.104 -2.566
129 HD22 ASN 17 HD22 ASN 17 13.199 5.684 -4.240
130 H TRP 18 HN TRP 18 17.269 5.485 0.565
131 HA TRP 18 HA TRP 18 15.626 5.360 2.845
132 HB2 TRP 18 HB1 TRP 18 18.586 5.361 2.385
133 HB3 TRP 18 HB2 TRP 18 17.968 5.510 4.028
134 HD1 TRP 18 HD1 TRP 18 15.538 3.455 3.800
135 HE1 TRP 18 HE1 TRP 18 16.034 0.933 3.655
136 HE3 TRP 18 HE3 TRP 18 20.373 3.672 2.154
137 HZ2 TRP 18 HZ2 TRP 18 18.190 -0.742 2.938
138 HZ3 TRP 18 HZ3 TRP 18 21.582 1.565 1.764
139 HH2 TRP 18 HH2 TRP 18 20.511 -0.595 2.148
140 H GLY 19 HN GLY 19 18.026 7.810 1.863
141 HA2 GLY 19 HA1 GLY 19 17.603 9.546 4.035
142 HA3 GLY 19 HA2 GLY 19 18.284 10.005 2.481
143 H GLU 20 HN GLU 20 16.010 9.322 0.893
144 HA GLU 20 HA GLU 20 14.540 11.735 1.135
145 HB2 GLU 20 HB1 GLU 20 14.419 9.333 -0.627
146 HB3 GLU 20 HB2 GLU 20 13.019 10.395 -0.581
147 HG2 GLU 20 HG1 GLU 20 14.260 12.231 -1.383
148 HG3 GLU 20 HG2 GLU 20 15.794 11.405 -1.115
149 H ALA 21 HN ALA 21 13.846 8.375 1.963
150 HA ALA 21 HA ALA 21 11.129 8.768 2.660
151 HB1 ALA 21 HB1 ALA 21 12.571 6.634 4.076
152 HB2 ALA 21 HB2 ALA 21 11.110 6.561 3.091
153 HB3 ALA 21 HB3 ALA 21 12.694 6.586 2.318
154 H PHE 22 HN PHE 22 14.138 9.159 4.395
155 HA PHE 22 HA PHE 22 13.045 9.256 7.007
156 HB2 PHE 22 HB1 PHE 22 15.526 9.005 6.206
157 HB3 PHE 22 HB2 PHE 22 15.523 10.765 6.254
158 HD1 PHE 22 HD2 PHE 22 14.477 11.750 8.508
159 HD2 PHE 22 HD1 PHE 22 16.249 7.904 8.076
160 HE1 PHE 22 HE2 PHE 22 14.918 11.685 10.928
161 HE2 PHE 22 HE1 PHE 22 16.693 7.833 10.495
162 HZ PHE 22 HZ PHE 22 16.028 9.725 11.924
163 H SER 23 HN SER 23 13.966 11.805 4.706
164 HA SER 23 HA SER 23 13.360 14.023 6.247
165 HB2 SER 23 HB1 SER 23 12.701 14.013 3.321
166 HB3 SER 23 HB2 SER 23 13.471 15.272 4.286
167 HG SER 23 HG SER 23 15.350 14.379 3.944
168 H ALA 24 HN ALA 24 11.222 12.042 4.249
169 HA ALA 24 HA ALA 24 8.914 13.611 4.426
170 HB1 ALA 24 HB1 ALA 24 9.608 11.021 3.462
171 HB2 ALA 24 HB2 ALA 24 8.126 10.897 4.412
172 HB3 ALA 24 HB3 ALA 24 8.211 12.018 3.053
173 H GLY 25 HN GLY 25 10.242 11.190 6.622
174 HA2 GLY 25 HA1 GLY 25 8.011 10.934 8.318
175 HA3 GLY 25 HA2 GLY 25 9.678 10.604 8.768
176 H VAL 26 HN VAL 26 10.690 13.233 8.327
177 HA VAL 26 HA VAL 26 10.174 14.391 10.837
178 HB VAL 26 HB VAL 26 11.395 15.710 8.408
179 HG11 VAL 26 HG11 VAL 26 11.211 17.524 9.727
180 HG12 VAL 26 HG12 VAL 26 10.973 16.565 11.189
181 HG13 VAL 26 HG13 VAL 26 12.600 16.826 10.559
182 HG21 VAL 26 HG21 VAL 26 12.607 13.702 8.924
183 HG22 VAL 26 HG22 VAL 26 13.552 15.083 9.481
184 HG23 VAL 26 HG23 VAL 26 12.644 14.111 10.639
185 H HIS 27 HN HIS 27 8.890 15.053 7.626
186 HA HIS 27 HA HIS 27 7.570 17.465 8.231
187 HB2 HIS 27 HB1 HIS 27 7.955 16.758 5.930
188 HB3 HIS 27 HB2 HIS 27 6.907 15.361 6.160
189 HD1 HIS 27 HD1 HIS 27 6.583 19.149 6.422
190 HD2 HIS 27 HD2 HIS 27 4.400 15.808 5.269
191 HE1 HIS 27 HE1 HIS 27 4.398 20.041 5.554
192 H ARG 28 HN ARG 28 6.509 14.091 8.380
193 HA ARG 28 HA ARG 28 3.824 14.629 9.069
194 HB2 ARG 28 HB1 ARG 28 4.859 12.431 8.239
195 HB3 ARG 28 HB2 ARG 28 5.336 12.165 9.910
196 HG2 ARG 28 HG1 ARG 28 2.489 12.741 9.182
197 HG3 ARG 28 HG2 ARG 28 3.156 11.110 9.086
198 HD2 ARG 28 HD1 ARG 28 3.981 11.709 11.532
199 HD3 ARG 28 HD2 ARG 28 2.604 12.808 11.461
200 HE ARG 28 HE ARG 28 1.613 10.407 10.617
201 HH11 ARG 28 HH11 ARG 28 3.285 11.524 13.459
202 HH12 ARG 28 HH12 ARG 28 2.533 10.373 14.513
203 HH21 ARG 28 HH21 ARG 28 0.617 8.886 11.994
204 HH22 ARG 28 HH22 ARG 28 1.017 8.872 13.678
205 H LEU 29 HN LEU 29 6.718 14.036 11.018
206 HA LEU 29 HA LEU 29 5.422 14.005 13.526
207 HB2 LEU 29 HB1 LEU 29 8.223 14.360 12.585
208 HB3 LEU 29 HB2 LEU 29 7.838 14.777 14.254
209 HG LEU 29 HG LEU 29 7.201 12.076 13.098
210 HD11 LEU 29 HD11 LEU 29 9.517 12.103 14.806
211 HD12 LEU 29 HD12 LEU 29 9.774 13.115 13.386
212 HD13 LEU 29 HD13 LEU 29 9.319 11.423 13.191
213 HD21 LEU 29 HD21 LEU 29 7.606 11.612 15.650
214 HD22 LEU 29 HD22 LEU 29 6.059 12.238 15.079
215 HD23 LEU 29 HD23 LEU 29 7.242 13.331 15.800
216 H ALA 30 HN ALA 30 6.959 16.597 11.667
217 HA ALA 30 HA ALA 30 6.756 18.629 13.582
218 HB1 ALA 30 HB1 ALA 30 8.081 18.713 11.461
219 HB2 ALA 30 HB2 ALA 30 6.570 19.011 10.601
220 HB3 ALA 30 HB3 ALA 30 7.142 20.167 11.804
221 H ASN 31 HN ASN 31 4.532 17.749 10.945
222 HA ASN 31 HA ASN 31 2.559 19.660 11.843
223 HB2 ASN 31 HB1 ASN 31 3.025 18.938 9.407
224 HB3 ASN 31 HB2 ASN 31 2.081 17.504 9.798
225 HD21 ASN 31 HD21 ASN 31 0.010 17.621 9.361
226 HD22 ASN 31 HD22 ASN 31 -0.930 19.066 9.247
227 H GLY 32 HN GLY 32 2.597 18.546 14.037
228 HA2 GLY 32 HA1 GLY 32 0.174 17.146 14.392
229 HA3 GLY 32 HA2 GLY 32 1.509 16.004 14.458
230 H GLY 33 HN GLY 33 3.326 16.652 15.975
231 HA2 GLY 33 HA1 GLY 33 2.170 17.129 18.561
232 HA3 GLY 33 HA2 GLY 33 3.865 16.816 18.217
233 H ASN 34 HN ASN 34 3.831 19.067 16.213
234 HA ASN 34 HA ASN 34 4.422 21.165 18.140
235 HB2 ASN 34 HB1 ASN 34 5.832 20.415 16.030
236 HB3 ASN 34 HB2 ASN 34 4.765 21.541 15.195
237 HD21 ASN 34 HD21 ASN 34 6.445 22.945 14.729
238 HD22 ASN 34 HD22 ASN 34 7.180 23.938 15.937
239 H GLY 35 HN GLY 35 2.541 20.848 15.123
240 HA2 GLY 35 HA1 GLY 35 0.623 22.785 16.217
241 HA3 GLY 35 HA2 GLY 35 1.332 23.099 14.640
242 H PHE 36 HN PHE 36 -0.899 21.142 16.452
243 HA PHE 36 HA PHE 36 -1.644 19.565 14.131
244 HB2 PHE 36 HB1 PHE 36 -3.294 18.530 15.691
245 HB3 PHE 36 HB2 PHE 36 -1.631 18.425 16.260
246 HD1 PHE 36 HD1 PHE 36 -4.818 20.244 16.683
247 HD2 PHE 36 HD2 PHE 36 -0.984 19.373 18.312
248 HE1 PHE 36 HE1 PHE 36 -5.485 21.295 18.805
249 HE2 PHE 36 HE2 PHE 36 -1.645 20.422 20.437
250 HZ PHE 36 HZ PHE 36 -3.898 21.384 20.686
251 H TRP 37 HN TRP 37 -3.736 19.562 13.206
252 HA TRP 37 HA TRP 37 -4.941 22.198 13.131
253 HB2 TRP 37 HB1 TRP 37 -5.426 19.673 11.545
254 HB3 TRP 37 HB2 TRP 37 -6.371 21.143 11.326
255 HD1 TRP 37 HD1 TRP 37 -2.619 20.126 11.214
256 HE1 TRP 37 HE1 TRP 37 -1.493 21.484 9.340
257 HE3 TRP 37 HE3 TRP 37 -6.616 22.957 9.749
258 HZ2 TRP 37 HZ2 TRP 37 -2.205 23.491 7.487
259 HZ3 TRP 37 HZ3 TRP 37 -6.310 24.573 7.919
260 HH2 TRP 37 HH2 TRP 37 -4.149 24.833 6.813
Start of MODEL 5
1 H1 LYS 1 HN LYS 1 7.596 -2.506 6.288
2 HA LYS 1 HA LYS 1 5.009 -3.413 6.114
3 HB2 LYS 1 HB1 LYS 1 5.717 -1.213 7.040
4 HB3 LYS 1 HB2 LYS 1 5.937 -0.627 5.397
5 HG2 LYS 1 HG1 LYS 1 3.850 0.176 5.880
6 HG3 LYS 1 HG2 LYS 1 3.448 -1.360 5.110
7 HD2 LYS 1 HD1 LYS 1 2.992 -2.394 7.178
8 HD3 LYS 1 HD2 LYS 1 3.776 -1.101 8.088
9 HE2 LYS 1 HE1 LYS 1 2.014 0.443 7.461
10 HE3 LYS 1 HE2 LYS 1 1.257 -0.792 6.456
11 HZ1 LYS 1 HZ1 LYS 1 1.108 -0.401 9.300
12 HZ2 LYS 1 HZ2 LYS 1 1.447 -2.000 8.868
13 HZ3 LYS 1 HZ3 LYS 1 0.061 -1.239 8.268
14 H TYR 2 HN TYR 2 7.169 -2.572 3.540
15 HA TYR 2 HA TYR 2 5.077 -2.420 1.545
16 HB2 TYR 2 HB1 TYR 2 8.092 -2.366 1.335
17 HB3 TYR 2 HB2 TYR 2 7.012 -2.228 -0.048
18 HD1 TYR 2 HD2 TYR 2 5.504 -0.248 -0.236
19 HD2 TYR 2 HD1 TYR 2 8.521 -0.507 2.753
20 HE1 TYR 2 HE2 TYR 2 5.353 2.181 0.119
21 HE2 TYR 2 HE1 TYR 2 8.377 1.921 3.116
22 HH TYR 2 HH TYR 2 5.872 3.790 2.078
23 H TYR 3 HN TYR 3 4.081 -4.404 1.470
24 HA TYR 3 HA TYR 3 5.668 -6.812 1.131
25 HB2 TYR 3 HB1 TYR 3 3.526 -7.991 1.207
26 HB3 TYR 3 HB2 TYR 3 3.666 -6.871 2.558
27 HD1 TYR 3 HD2 TYR 3 2.019 -7.468 -0.686
28 HD2 TYR 3 HD1 TYR 3 2.164 -5.026 2.795
29 HE1 TYR 3 HE2 TYR 3 -0.126 -6.446 -1.321
30 HE2 TYR 3 HE1 TYR 3 0.019 -3.998 2.170
31 HH TYR 3 HH TYR 3 -1.279 -3.634 -0.023
32 H GLY 4 HN GLY 4 3.822 -4.578 -0.788
33 HA2 GLY 4 HA1 GLY 4 3.453 -6.256 -3.058
34 HA3 GLY 4 HA2 GLY 4 3.325 -4.503 -3.033
35 H ASN 5 HN ASN 5 4.593 -3.680 -4.553
36 HA ASN 5 HA ASN 5 6.946 -5.031 -5.480
37 HB2 ASN 5 HB1 ASN 5 7.212 -2.981 -6.912
38 HB3 ASN 5 HB2 ASN 5 5.664 -3.801 -7.093
39 HD21 ASN 5 HD21 ASN 5 7.116 -0.873 -6.729
40 HD22 ASN 5 HD22 ASN 5 5.773 0.042 -6.143
41 H GLY 6 HN GLY 6 7.821 -4.996 -3.168
42 HA2 GLY 6 HA1 GLY 6 9.299 -2.483 -2.695
43 HA3 GLY 6 HA2 GLY 6 8.851 -3.622 -1.433
44 H VAL 7 HN VAL 7 9.615 -5.833 -3.412
45 HA VAL 7 HA VAL 7 12.230 -6.259 -2.413
46 HB VAL 7 HB VAL 7 12.303 -8.179 -3.983
47 HG11 VAL 7 HG11 VAL 7 9.632 -8.570 -2.915
48 HG12 VAL 7 HG12 VAL 7 11.148 -9.368 -2.490
49 HG13 VAL 7 HG13 VAL 7 10.721 -7.828 -1.743
50 HG21 VAL 7 HG21 VAL 7 11.173 -7.787 -5.900
51 HG22 VAL 7 HG22 VAL 7 9.835 -8.508 -5.006
52 HG23 VAL 7 HG23 VAL 7 9.980 -6.754 -5.114
53 H HIS 8 HN HIS 8 10.991 -5.141 -5.528
54 HA HIS 8 HA HIS 8 13.542 -5.074 -6.805
55 HB2 HIS 8 HB1 HIS 8 10.869 -3.852 -7.482
56 HB3 HIS 8 HB2 HIS 8 12.296 -3.618 -8.487
57 HD1 HIS 8 HD1 HIS 8 9.424 -5.625 -8.384
58 HD2 HIS 8 HD2 HIS 8 13.442 -6.421 -9.083
59 HE1 HIS 8 HE1 HIS 8 9.472 -7.819 -9.614
60 H LEU 9 HN LEU 9 11.677 -2.828 -4.890
61 HA LEU 9 HA LEU 9 13.013 -0.452 -5.572
62 HB2 LEU 9 HB1 LEU 9 11.021 -0.168 -4.413
63 HB3 LEU 9 HB2 LEU 9 11.451 -1.361 -3.189
64 HG LEU 9 HG LEU 9 13.077 1.120 -3.314
65 HD11 LEU 9 HD11 LEU 9 11.204 2.378 -3.317
66 HD12 LEU 9 HD12 LEU 9 11.168 1.929 -1.612
67 HD13 LEU 9 HD13 LEU 9 10.177 1.051 -2.776
68 HD21 LEU 9 HD21 LEU 9 13.827 0.120 -1.474
69 HD22 LEU 9 HD22 LEU 9 12.501 -1.043 -1.481
70 HD23 LEU 9 HD23 LEU 9 12.288 0.534 -0.719
71 H THR 10 HN THR 10 13.961 -3.139 -3.643
72 HA THR 10 HA THR 10 15.879 -1.842 -2.003
73 HB THR 10 HB THR 10 15.969 -4.729 -2.882
74 HG1 THR 10 HG1 THR 10 14.643 -3.771 -0.566
75 HG21 THR 10 HG21 THR 10 17.466 -5.066 -1.227
76 HG22 THR 10 HG22 THR 10 16.665 -3.937 -0.135
77 HG23 THR 10 HG23 THR 10 17.753 -3.334 -1.384
78 H LYS 11 HN LYS 11 16.392 -4.002 -4.800
79 HA LYS 11 HA LYS 11 19.118 -3.261 -5.100
80 HB2 LYS 11 HB1 LYS 11 17.182 -4.720 -6.894
81 HB3 LYS 11 HB2 LYS 11 18.855 -4.428 -7.350
82 HG2 LYS 11 HG1 LYS 11 19.387 -5.555 -5.064
83 HG3 LYS 11 HG2 LYS 11 17.754 -6.206 -5.225
84 HD2 LYS 11 HD1 LYS 11 19.000 -7.854 -6.245
85 HD3 LYS 11 HD2 LYS 11 18.562 -6.847 -7.628
86 HE2 LYS 11 HE1 LYS 11 21.086 -6.260 -6.155
87 HE3 LYS 11 HE2 LYS 11 21.042 -7.640 -7.251
88 HZ1 LYS 11 HZ1 LYS 11 21.204 -4.866 -7.859
89 HZ2 LYS 11 HZ2 LYS 11 19.888 -5.578 -8.646
90 HZ3 LYS 11 HZ3 LYS 11 21.445 -6.200 -8.871
91 H SER 12 HN SER 12 16.122 -2.016 -6.346
92 HA SER 12 HA SER 12 17.122 -0.595 -8.564
93 HB2 SER 12 HB1 SER 12 14.727 -1.011 -8.256
94 HB3 SER 12 HB2 SER 12 14.721 0.012 -6.820
95 HG SER 12 HG SER 12 15.681 1.100 -9.207
96 H GLY 13 HN GLY 13 17.228 0.023 -5.162
97 HA2 GLY 13 HA1 GLY 13 19.205 1.763 -4.948
98 HA3 GLY 13 HA2 GLY 13 17.944 2.829 -5.550
99 H LEU 14 HN LEU 14 18.225 0.270 -3.079
100 HA LEU 14 HA LEU 14 16.244 1.221 -1.382
101 HB2 LEU 14 HB1 LEU 14 17.048 -0.262 0.216
102 HB3 LEU 14 HB2 LEU 14 17.531 -0.987 -1.316
103 HG LEU 14 HG LEU 14 19.373 0.635 0.436
104 HD11 LEU 14 HD11 LEU 14 18.470 -1.543 1.425
105 HD12 LEU 14 HD12 LEU 14 20.220 -1.339 1.353
106 HD13 LEU 14 HD13 LEU 14 19.400 -2.352 0.164
107 HD21 LEU 14 HD21 LEU 14 19.612 -0.754 -2.166
108 HD22 LEU 14 HD22 LEU 14 20.963 -0.920 -1.044
109 HD23 LEU 14 HD23 LEU 14 20.439 0.683 -1.563
110 H SER 15 HN SER 15 19.480 2.349 -1.877
111 HA SER 15 HA SER 15 19.748 3.781 0.571
112 HB2 SER 15 HB1 SER 15 21.774 3.274 -0.538
113 HB3 SER 15 HB2 SER 15 21.186 3.904 -2.077
114 HG SER 15 HG SER 15 22.653 5.324 -0.968
115 H VAL 16 HN VAL 16 18.991 4.811 -2.754
116 HA VAL 16 HA VAL 16 18.473 7.513 -2.046
117 HB VAL 16 HB VAL 16 19.077 6.854 -4.336
118 HG11 VAL 16 HG11 VAL 16 16.392 5.495 -4.283
119 HG12 VAL 16 HG12 VAL 16 17.251 5.881 -5.775
120 HG13 VAL 16 HG13 VAL 16 17.969 4.774 -4.604
121 HG21 VAL 16 HG21 VAL 16 17.440 8.842 -3.610
122 HG22 VAL 16 HG22 VAL 16 17.928 8.565 -5.282
123 HG23 VAL 16 HG23 VAL 16 16.367 7.977 -4.711
124 H ASN 17 HN ASN 17 16.574 4.617 -2.016
125 HA ASN 17 HA ASN 17 14.000 5.776 -2.119
126 HB2 ASN 17 HB1 ASN 17 14.066 3.461 -2.505
127 HB3 ASN 17 HB2 ASN 17 15.065 3.160 -1.086
128 HD21 ASN 17 HD21 ASN 17 14.028 2.187 0.480
129 HD22 ASN 17 HD22 ASN 17 12.354 2.367 0.868
130 H TRP 18 HN TRP 18 15.870 4.592 0.680
131 HA TRP 18 HA TRP 18 14.076 5.642 2.604
132 HB2 TRP 18 HB1 TRP 18 15.946 3.808 2.811
133 HB3 TRP 18 HB2 TRP 18 16.968 5.180 3.231
134 HD1 TRP 18 HD1 TRP 18 13.404 4.093 4.367
135 HE1 TRP 18 HE1 TRP 18 13.323 4.244 6.936
136 HE3 TRP 18 HE3 TRP 18 18.194 5.654 5.240
137 HZ2 TRP 18 HZ2 TRP 18 15.060 4.934 9.051
138 HZ3 TRP 18 HZ3 TRP 18 18.904 6.037 7.564
139 HH2 TRP 18 HH2 TRP 18 17.368 5.685 9.429
140 H GLY 19 HN GLY 19 17.128 6.831 1.246
141 HA2 GLY 19 HA1 GLY 19 17.552 9.040 2.855
142 HA3 GLY 19 HA2 GLY 19 18.003 8.953 1.158
143 H GLU 20 HN GLU 20 15.679 8.948 -0.178
144 HA GLU 20 HA GLU 20 14.873 11.644 -0.075
145 HB2 GLU 20 HB1 GLU 20 14.632 9.583 -1.889
146 HB3 GLU 20 HB2 GLU 20 12.971 9.835 -1.371
147 HG2 GLU 20 HG1 GLU 20 14.489 12.269 -2.031
148 HG3 GLU 20 HG2 GLU 20 14.142 11.183 -3.376
149 H ALA 21 HN ALA 21 13.310 8.667 1.038
150 HA ALA 21 HA ALA 21 10.877 9.808 1.850
151 HB1 ALA 21 HB1 ALA 21 11.627 7.620 3.557
152 HB2 ALA 21 HB2 ALA 21 10.381 7.694 2.311
153 HB3 ALA 21 HB3 ALA 21 12.036 7.264 1.879
154 H PHE 22 HN PHE 22 13.999 9.605 3.417
155 HA PHE 22 HA PHE 22 13.144 10.276 6.031
156 HB2 PHE 22 HB1 PHE 22 15.354 9.250 5.462
157 HB3 PHE 22 HB2 PHE 22 15.851 10.800 4.791
158 HD1 PHE 22 HD1 PHE 22 16.080 12.769 6.285
159 HD2 PHE 22 HD2 PHE 22 15.389 8.847 7.788
160 HE1 PHE 22 HE1 PHE 22 16.835 13.493 8.513
161 HE2 PHE 22 HE2 PHE 22 16.142 9.565 10.017
162 HZ PHE 22 HZ PHE 22 16.865 11.891 10.382
163 H SER 23 HN SER 23 14.716 12.266 3.523
164 HA SER 23 HA SER 23 14.628 14.704 4.815
165 HB2 SER 23 HB1 SER 23 15.858 14.610 2.801
166 HB3 SER 23 HB2 SER 23 14.482 13.987 1.891
167 HG SER 23 HG SER 23 14.850 16.213 1.491
168 H ALA 24 HN ALA 24 12.165 13.270 2.691
169 HA ALA 24 HA ALA 24 10.327 15.358 2.724
170 HB1 ALA 24 HB1 ALA 24 10.415 12.771 1.704
171 HB2 ALA 24 HB2 ALA 24 9.001 12.794 2.759
172 HB3 ALA 24 HB3 ALA 24 9.145 13.970 1.452
173 H GLY 25 HN GLY 25 10.917 12.811 5.077
174 HA2 GLY 25 HA1 GLY 25 8.576 13.259 6.629
175 HA3 GLY 25 HA2 GLY 25 10.019 12.405 7.155
176 H VAL 26 HN VAL 26 11.741 14.736 6.576
177 HA VAL 26 HA VAL 26 11.770 15.903 9.114
178 HB VAL 26 HB VAL 26 12.939 17.002 6.554
179 HG11 VAL 26 HG11 VAL 26 13.251 18.813 7.859
180 HG12 VAL 26 HG12 VAL 26 13.020 17.906 9.355
181 HG13 VAL 26 HG13 VAL 26 14.576 17.857 8.524
182 HG21 VAL 26 HG21 VAL 26 13.554 14.647 7.880
183 HG22 VAL 26 HG22 VAL 26 14.571 15.491 6.712
184 HG23 VAL 26 HG23 VAL 26 14.777 15.789 8.438
185 H HIS 27 HN HIS 27 10.210 16.911 6.134
186 HA HIS 27 HA HIS 27 9.543 19.536 6.899
187 HB2 HIS 27 HB1 HIS 27 9.395 18.881 4.583
188 HB3 HIS 27 HB2 HIS 27 8.205 17.638 4.963
189 HD1 HIS 27 HD1 HIS 27 5.774 18.406 5.361
190 HD2 HIS 27 HD2 HIS 27 8.393 21.493 4.430
191 HE1 HIS 27 HE1 HIS 27 4.318 20.390 4.843
192 H ARG 28 HN ARG 28 7.841 16.459 7.283
193 HA ARG 28 HA ARG 28 5.469 17.553 8.372
194 HB2 ARG 28 HB1 ARG 28 5.676 15.262 7.402
195 HB3 ARG 28 HB2 ARG 28 6.605 14.789 8.817
196 HG2 ARG 28 HG1 ARG 28 3.925 15.994 9.242
197 HG3 ARG 28 HG2 ARG 28 4.018 14.337 8.641
198 HD2 ARG 28 HD1 ARG 28 5.733 14.045 10.595
199 HD3 ARG 28 HD2 ARG 28 4.924 15.469 11.250
200 HE ARG 28 HE ARG 28 2.910 13.727 10.580
201 HH11 ARG 28 HH11 ARG 28 5.699 13.659 12.661
202 HH12 ARG 28 HH12 ARG 28 4.986 12.564 13.799
203 HH21 ARG 28 HH21 ARG 28 1.960 12.284 12.070
204 HH22 ARG 28 HH22 ARG 28 2.860 11.782 13.461
205 H LEU 29 HN LEU 29 8.491 16.446 9.795
206 HA LEU 29 HA LEU 29 7.637 16.537 12.495
207 HB2 LEU 29 HB1 LEU 29 10.292 16.498 11.124
208 HB3 LEU 29 HB2 LEU 29 10.203 16.798 12.858
209 HG LEU 29 HG LEU 29 8.964 14.361 11.614
210 HD11 LEU 29 HD11 LEU 29 11.782 14.986 11.888
211 HD12 LEU 29 HD12 LEU 29 10.996 13.640 11.064
212 HD13 LEU 29 HD13 LEU 29 11.323 13.545 12.794
213 HD21 LEU 29 HD21 LEU 29 9.771 13.645 14.062
214 HD22 LEU 29 HD22 LEU 29 8.195 14.371 13.744
215 HD23 LEU 29 HD23 LEU 29 9.524 15.369 14.337
216 H ALA 30 HN ALA 30 9.086 18.902 10.328
217 HA ALA 30 HA ALA 30 9.707 20.882 12.210
218 HB1 ALA 30 HB1 ALA 30 9.990 20.620 9.507
219 HB2 ALA 30 HB2 ALA 30 8.777 21.896 9.629
220 HB3 ALA 30 HB3 ALA 30 10.338 22.083 10.429
221 H ASN 31 HN ASN 31 6.683 19.959 10.740
222 HA ASN 31 HA ASN 31 5.315 22.334 11.706
223 HB2 ASN 31 HB1 ASN 31 4.824 21.125 9.488
224 HB3 ASN 31 HB2 ASN 31 3.997 19.922 10.474
225 HD21 ASN 31 HD21 ASN 31 3.997 23.227 9.381
226 HD22 ASN 31 HD22 ASN 31 2.359 23.576 9.807
227 H GLY 32 HN GLY 32 5.489 18.877 12.408
228 HA2 GLY 32 HA1 GLY 32 5.226 17.958 14.565
229 HA3 GLY 32 HA2 GLY 32 4.379 19.417 15.058
230 H GLY 33 HN GLY 33 3.971 16.223 14.508
231 HA2 GLY 33 HA1 GLY 33 1.336 16.386 13.281
232 HA3 GLY 33 HA2 GLY 33 2.182 14.917 13.743
233 H ASN 34 HN ASN 34 0.342 17.659 14.989
234 HA ASN 34 HA ASN 34 -0.766 15.922 17.049
235 HB2 ASN 34 HB1 ASN 34 0.344 18.633 17.787
236 HB3 ASN 34 HB2 ASN 34 -0.287 17.396 18.871
237 HD21 ASN 34 HD21 ASN 34 1.024 15.790 19.561
238 HD22 ASN 34 HD22 ASN 34 2.700 15.670 19.160
239 H GLY 35 HN GLY 35 -2.789 16.598 17.840
240 HA2 GLY 35 HA1 GLY 35 -4.145 18.487 16.056
241 HA3 GLY 35 HA2 GLY 35 -4.925 17.292 17.081
242 H PHE 36 HN PHE 36 -3.541 20.480 16.922
243 HA PHE 36 HA PHE 36 -4.073 21.025 19.721
244 HB2 PHE 36 HB1 PHE 36 -2.082 22.006 18.719
245 HB3 PHE 36 HB2 PHE 36 -3.064 22.809 17.497
246 HD1 PHE 36 HD1 PHE 36 -2.310 22.693 21.113
247 HD2 PHE 36 HD2 PHE 36 -4.071 24.890 17.920
248 HE1 PHE 36 HE1 PHE 36 -2.530 24.651 22.586
249 HE2 PHE 36 HE2 PHE 36 -4.293 26.851 19.388
250 HZ PHE 36 HZ PHE 36 -3.522 26.734 21.724
251 H TRP 37 HN TRP 37 -5.985 21.662 20.440
252 HA TRP 37 HA TRP 37 -8.038 22.506 18.578
253 HB2 TRP 37 HB1 TRP 37 -8.299 20.923 20.635
254 HB3 TRP 37 HB2 TRP 37 -8.398 22.421 21.557
255 HD1 TRP 37 HD1 TRP 37 -10.240 24.201 19.862
256 HE1 TRP 37 HE1 TRP 37 -12.696 23.573 19.420
257 HE3 TRP 37 HE3 TRP 37 -9.958 19.169 20.720
258 HZ2 TRP 37 HZ2 TRP 37 -14.302 21.252 19.434
259 HZ3 TRP 37 HZ3 TRP 37 -11.999 17.817 20.485
260 HH2 TRP 37 HH2 TRP 37 -14.126 18.838 19.856
Start of MODEL 6
1 H1 LYS 1 HN LYS 1 8.410 5.339 2.671
2 HA LYS 1 HA LYS 1 6.131 3.997 3.826
3 HB2 LYS 1 HB1 LYS 1 5.451 6.406 3.101
4 HB3 LYS 1 HB2 LYS 1 5.541 5.758 1.468
5 HG2 LYS 1 HG1 LYS 1 3.294 5.563 2.078
6 HG3 LYS 1 HG2 LYS 1 3.957 3.938 2.269
7 HD2 LYS 1 HD1 LYS 1 2.798 4.150 4.238
8 HD3 LYS 1 HD2 LYS 1 4.381 4.753 4.733
9 HE2 LYS 1 HE1 LYS 1 2.690 6.246 5.559
10 HE3 LYS 1 HE2 LYS 1 3.587 7.059 4.278
11 HZ1 LYS 1 HZ1 LYS 1 1.809 6.635 2.752
12 HZ2 LYS 1 HZ2 LYS 1 1.161 7.373 4.129
13 HZ3 LYS 1 HZ3 LYS 1 0.971 5.708 3.893
14 H TYR 2 HN TYR 2 6.359 2.006 3.069
15 HA TYR 2 HA TYR 2 7.683 1.512 0.544
16 HB2 TYR 2 HB1 TYR 2 7.374 -0.892 1.171
17 HB3 TYR 2 HB2 TYR 2 8.252 0.052 2.368
18 HD1 TYR 2 HD2 TYR 2 5.015 -1.546 1.599
19 HD2 TYR 2 HD1 TYR 2 7.394 0.354 4.572
20 HE1 TYR 2 HE2 TYR 2 3.424 -2.272 3.329
21 HE2 TYR 2 HE1 TYR 2 5.810 -0.368 6.309
22 HH TYR 2 HH TYR 2 2.876 -2.188 5.478
23 H TYR 3 HN TYR 3 6.731 -0.082 -0.997
24 HA TYR 3 HA TYR 3 4.011 0.726 -1.624
25 HB2 TYR 3 HB1 TYR 3 6.232 -0.600 -3.120
26 HB3 TYR 3 HB2 TYR 3 4.581 -0.822 -3.689
27 HD1 TYR 3 HD1 TYR 3 3.278 1.675 -3.424
28 HD2 TYR 3 HD2 TYR 3 7.350 0.941 -4.414
29 HE1 TYR 3 HE1 TYR 3 3.381 3.844 -4.581
30 HE2 TYR 3 HE2 TYR 3 7.465 3.108 -5.572
31 HH TYR 3 HH TYR 3 5.224 5.517 -5.192
32 H GLY 4 HN GLY 4 5.786 -2.366 -1.405
33 HA2 GLY 4 HA1 GLY 4 3.397 -3.591 -0.240
34 HA3 GLY 4 HA2 GLY 4 4.015 -4.282 -1.733
35 H ASN 5 HN ASN 5 6.149 -5.208 -1.725
36 HA ASN 5 HA ASN 5 6.647 -6.749 0.607
37 HB2 ASN 5 HB1 ASN 5 8.098 -6.394 -2.006
38 HB3 ASN 5 HB2 ASN 5 8.779 -7.376 -0.712
39 HD21 ASN 5 HD21 ASN 5 7.910 -9.349 -0.260
40 HD22 ASN 5 HD22 ASN 5 6.685 -10.093 -1.225
41 H GLY 6 HN GLY 6 8.872 -4.518 -1.075
42 HA2 GLY 6 HA1 GLY 6 9.940 -2.682 0.059
43 HA3 GLY 6 HA2 GLY 6 9.775 -3.572 1.564
44 H VAL 7 HN VAL 7 10.658 -6.047 -0.005
45 HA VAL 7 HA VAL 7 13.386 -5.938 0.737
46 HB VAL 7 HB VAL 7 12.188 -8.052 0.718
47 HG11 VAL 7 HG11 VAL 7 10.753 -7.517 -1.245
48 HG12 VAL 7 HG12 VAL 7 12.138 -7.844 -2.289
49 HG13 VAL 7 HG13 VAL 7 11.458 -9.132 -1.294
50 HG21 VAL 7 HG21 VAL 7 14.690 -7.896 0.271
51 HG22 VAL 7 HG22 VAL 7 13.896 -9.411 -0.160
52 HG23 VAL 7 HG23 VAL 7 14.298 -8.238 -1.414
53 H HIS 8 HN HIS 8 11.723 -5.649 -2.366
54 HA HIS 8 HA HIS 8 14.111 -5.554 -3.926
55 HB2 HIS 8 HB1 HIS 8 11.636 -6.085 -4.629
56 HB3 HIS 8 HB2 HIS 8 11.535 -4.342 -4.858
57 HD1 HIS 8 HD1 HIS 8 11.140 -5.125 -7.423
58 HD2 HIS 8 HD2 HIS 8 14.963 -5.640 -5.881
59 HE1 HIS 8 HE1 HIS 8 12.637 -5.422 -9.422
60 H LEU 9 HN LEU 9 12.112 -3.181 -2.311
61 HA LEU 9 HA LEU 9 13.069 -0.869 -3.589
62 HB2 LEU 9 HB1 LEU 9 11.151 -0.562 -2.324
63 HB3 LEU 9 HB2 LEU 9 11.809 -1.426 -0.937
64 HG LEU 9 HG LEU 9 13.101 1.138 -1.694
65 HD11 LEU 9 HD11 LEU 9 11.382 2.488 -1.267
66 HD12 LEU 9 HD12 LEU 9 10.864 1.527 0.118
67 HD13 LEU 9 HD13 LEU 9 10.353 1.076 -1.509
68 HD21 LEU 9 HD21 LEU 9 14.093 0.648 0.234
69 HD22 LEU 9 HD22 LEU 9 12.955 -0.660 0.558
70 HD23 LEU 9 HD23 LEU 9 12.559 0.992 1.033
71 H THR 10 HN THR 10 14.505 -2.959 -1.264
72 HA THR 10 HA THR 10 16.346 -1.133 -0.114
73 HB THR 10 HB THR 10 16.829 -4.093 -0.405
74 HG1 THR 10 HG1 THR 10 15.382 -4.468 1.154
75 HG21 THR 10 HG21 THR 10 18.232 -3.894 1.419
76 HG22 THR 10 HG22 THR 10 17.432 -2.436 2.007
77 HG23 THR 10 HG23 THR 10 18.502 -2.352 0.608
78 H LYS 11 HN LYS 11 16.940 -3.757 -2.461
79 HA LYS 11 HA LYS 11 19.512 -2.782 -3.172
80 HB2 LYS 11 HB1 LYS 11 17.675 -4.782 -4.492
81 HB3 LYS 11 HB2 LYS 11 19.300 -4.432 -5.069
82 HG2 LYS 11 HG1 LYS 11 20.019 -5.016 -2.651
83 HG3 LYS 11 HG2 LYS 11 18.441 -5.801 -2.557
84 HD2 LYS 11 HD1 LYS 11 19.855 -7.514 -3.255
85 HD3 LYS 11 HD2 LYS 11 19.125 -6.951 -4.760
86 HE2 LYS 11 HE1 LYS 11 21.152 -5.464 -5.033
87 HE3 LYS 11 HE2 LYS 11 21.876 -6.354 -3.694
88 HZ1 LYS 11 HZ1 LYS 11 21.212 -7.300 -6.401
89 HZ2 LYS 11 HZ2 LYS 11 21.291 -8.404 -5.122
90 HZ3 LYS 11 HZ3 LYS 11 22.650 -7.482 -5.529
91 H SER 12 HN SER 12 16.291 -2.206 -4.352
92 HA SER 12 HA SER 12 16.933 -1.171 -6.892
93 HB2 SER 12 HB1 SER 12 14.656 -1.761 -6.436
94 HB3 SER 12 HB2 SER 12 14.586 -0.668 -5.054
95 HG SER 12 HG SER 12 14.049 -0.148 -7.616
96 H GLY 13 HN GLY 13 17.180 0.156 -3.708
97 HA2 GLY 13 HA1 GLY 13 18.899 2.137 -4.036
98 HA3 GLY 13 HA2 GLY 13 17.460 2.886 -4.713
99 H LEU 14 HN LEU 14 18.298 0.973 -1.818
100 HA LEU 14 HA LEU 14 16.315 1.986 -0.158
101 HB2 LEU 14 HB1 LEU 14 17.460 1.017 1.625
102 HB3 LEU 14 HB2 LEU 14 17.908 0.036 0.231
103 HG LEU 14 HG LEU 14 19.648 2.228 1.349
104 HD11 LEU 14 HD11 LEU 14 20.535 -0.498 1.800
105 HD12 LEU 14 HD12 LEU 14 19.028 -0.132 2.638
106 HD13 LEU 14 HD13 LEU 14 20.455 0.866 2.914
107 HD21 LEU 14 HD21 LEU 14 20.170 -0.045 -0.564
108 HD22 LEU 14 HD22 LEU 14 21.399 1.046 0.077
109 HD23 LEU 14 HD23 LEU 14 20.116 1.674 -0.958
110 H SER 15 HN SER 15 19.286 3.417 -1.203
111 HA SER 15 HA SER 15 19.512 5.357 0.870
112 HB2 SER 15 HB1 SER 15 21.172 6.420 -0.565
113 HB3 SER 15 HB2 SER 15 21.419 4.674 -0.563
114 HG SER 15 HG SER 15 21.443 5.801 -2.673
115 H VAL 16 HN VAL 16 18.346 5.540 -2.490
116 HA VAL 16 HA VAL 16 17.471 8.235 -2.286
117 HB VAL 16 HB VAL 16 17.984 7.192 -4.450
118 HG11 VAL 16 HG11 VAL 16 16.212 5.691 -5.448
119 HG12 VAL 16 HG12 VAL 16 17.215 4.970 -4.188
120 HG13 VAL 16 HG13 VAL 16 15.576 5.505 -3.814
121 HG21 VAL 16 HG21 VAL 16 16.136 9.050 -3.976
122 HG22 VAL 16 HG22 VAL 16 16.484 8.457 -5.600
123 HG23 VAL 16 HG23 VAL 16 15.100 7.824 -4.708
124 H ASN 17 HN ASN 17 16.060 5.187 -1.451
125 HA ASN 17 HA ASN 17 13.335 5.927 -1.505
126 HB2 ASN 17 HB1 ASN 17 13.728 3.618 -1.403
127 HB3 ASN 17 HB2 ASN 17 14.883 3.778 -0.083
128 HD21 ASN 17 HD21 ASN 17 11.564 4.930 -0.575
129 HD22 ASN 17 HD22 ASN 17 10.928 4.233 0.872
130 H TRP 18 HN TRP 18 15.805 6.082 1.020
131 HA TRP 18 HA TRP 18 14.197 6.819 3.168
132 HB2 TRP 18 HB1 TRP 18 16.689 6.234 3.160
133 HB3 TRP 18 HB2 TRP 18 16.970 7.916 2.719
134 HD1 TRP 18 HD1 TRP 18 17.047 9.635 4.648
135 HE1 TRP 18 HE1 TRP 18 16.638 9.533 7.187
136 HE3 TRP 18 HE3 TRP 18 15.114 4.913 4.969
137 HZ2 TRP 18 HZ2 TRP 18 15.629 7.693 9.076
138 HZ3 TRP 18 HZ3 TRP 18 14.452 4.057 7.179
139 HH2 TRP 18 HH2 TRP 18 14.706 5.420 9.189
140 H GLY 19 HN GLY 19 15.972 8.946 0.916
141 HA2 GLY 19 HA1 GLY 19 15.146 11.391 1.931
142 HA3 GLY 19 HA2 GLY 19 15.559 11.103 0.248
143 H GLU 20 HN GLU 20 13.457 9.227 -0.282
144 HA GLU 20 HA GLU 20 11.377 11.064 -0.918
145 HB2 GLU 20 HB1 GLU 20 11.738 8.103 -1.248
146 HB3 GLU 20 HB2 GLU 20 10.185 8.853 -1.589
147 HG2 GLU 20 HG1 GLU 20 11.668 10.469 -3.045
148 HG3 GLU 20 HG2 GLU 20 12.768 9.092 -3.032
149 H ALA 21 HN ALA 21 11.703 8.436 1.428
150 HA ALA 21 HA ALA 21 9.049 8.566 2.407
151 HB1 ALA 21 HB1 ALA 21 11.053 7.673 4.335
152 HB2 ALA 21 HB2 ALA 21 9.654 6.825 3.674
153 HB3 ALA 21 HB3 ALA 21 11.166 6.871 2.768
154 H PHE 22 HN PHE 22 12.074 10.089 3.427
155 HA PHE 22 HA PHE 22 11.244 11.222 5.817
156 HB2 PHE 22 HB1 PHE 22 13.569 11.230 4.549
157 HB3 PHE 22 HB2 PHE 22 13.013 12.812 4.011
158 HD1 PHE 22 HD1 PHE 22 13.614 10.781 7.058
159 HD2 PHE 22 HD2 PHE 22 13.251 14.676 5.380
160 HE1 PHE 22 HE1 PHE 22 14.372 11.764 9.183
161 HE2 PHE 22 HE2 PHE 22 14.010 15.664 7.501
162 HZ PHE 22 HZ PHE 22 14.572 14.208 9.406
163 H SER 23 HN SER 23 11.421 12.937 2.692
164 HA SER 23 HA SER 23 10.066 15.224 3.446
165 HB2 SER 23 HB1 SER 23 9.848 13.961 0.708
166 HB3 SER 23 HB2 SER 23 9.747 15.674 1.113
167 HG SER 23 HG SER 23 11.930 15.628 1.669
168 H ALA 24 HN ALA 24 8.779 12.127 2.380
169 HA ALA 24 HA ALA 24 6.113 12.843 1.985
170 HB1 ALA 24 HB1 ALA 24 7.617 10.442 2.117
171 HB2 ALA 24 HB2 ALA 24 6.188 10.247 3.132
172 HB3 ALA 24 HB3 ALA 24 6.010 10.698 1.436
173 H GLY 25 HN GLY 25 7.904 12.238 4.932
174 HA2 GLY 25 HA1 GLY 25 5.562 12.095 6.604
175 HA3 GLY 25 HA2 GLY 25 7.231 12.184 7.147
176 H VAL 26 HN VAL 26 7.993 14.561 5.860
177 HA VAL 26 HA VAL 26 7.225 16.484 7.724
178 HB VAL 26 HB VAL 26 8.303 16.954 4.940
179 HG11 VAL 26 HG11 VAL 26 7.792 19.085 5.462
180 HG12 VAL 26 HG12 VAL 26 7.669 18.743 7.189
181 HG13 VAL 26 HG13 VAL 26 9.251 18.986 6.447
182 HG21 VAL 26 HG21 VAL 26 9.487 15.707 7.176
183 HG22 VAL 26 HG22 VAL 26 10.256 16.181 5.662
184 HG23 VAL 26 HG23 VAL 26 10.226 17.302 7.023
185 H HIS 27 HN HIS 27 5.873 15.684 4.583
186 HA HIS 27 HA HIS 27 4.235 17.951 4.265
187 HB2 HIS 27 HB1 HIS 27 4.735 16.397 2.428
188 HB3 HIS 27 HB2 HIS 27 3.808 15.137 3.237
189 HD1 HIS 27 HD1 HIS 27 2.804 18.754 2.662
190 HD2 HIS 27 HD2 HIS 27 1.639 14.905 1.617
191 HE1 HIS 27 HE1 HIS 27 0.645 19.024 1.402
192 H ARG 28 HN ARG 28 3.692 14.843 5.852
193 HA ARG 28 HA ARG 28 0.943 15.287 6.418
194 HB2 ARG 28 HB1 ARG 28 2.299 13.072 6.418
195 HB3 ARG 28 HB2 ARG 28 2.713 13.511 8.070
196 HG2 ARG 28 HG1 ARG 28 -0.152 13.548 7.287
197 HG3 ARG 28 HG2 ARG 28 0.639 11.987 7.517
198 HD2 ARG 28 HD1 ARG 28 1.022 14.080 9.593
199 HD3 ARG 28 HD2 ARG 28 -0.540 13.266 9.512
200 HE ARG 28 HE ARG 28 1.383 11.280 9.471
201 HH11 ARG 28 HH11 ARG 28 0.363 13.814 11.629
202 HH12 ARG 28 HH12 ARG 28 0.833 12.962 13.062
203 HH21 ARG 28 HH21 ARG 28 2.006 10.147 11.350
204 HH22 ARG 28 HH22 ARG 28 1.768 10.876 12.902
205 H LEU 29 HN LEU 29 3.922 15.753 8.277
206 HA LEU 29 HA LEU 29 2.738 16.508 10.702
207 HB2 LEU 29 HB1 LEU 29 5.399 17.013 9.438
208 HB3 LEU 29 HB2 LEU 29 4.976 17.812 10.950
209 HG LEU 29 HG LEU 29 4.987 14.821 10.569
210 HD11 LEU 29 HD11 LEU 29 7.226 16.164 10.380
211 HD12 LEU 29 HD12 LEU 29 7.137 14.699 11.356
212 HD13 LEU 29 HD13 LEU 29 7.061 16.281 12.132
213 HD21 LEU 29 HD21 LEU 29 4.080 16.590 12.659
214 HD22 LEU 29 HD22 LEU 29 5.356 15.520 13.242
215 HD23 LEU 29 HD23 LEU 29 3.901 14.842 12.509
216 H ALA 30 HN ALA 30 3.280 18.263 7.749
217 HA ALA 30 HA ALA 30 3.043 20.888 8.761
218 HB1 ALA 30 HB1 ALA 30 3.897 20.189 6.483
219 HB2 ALA 30 HB2 ALA 30 2.207 20.021 6.006
220 HB3 ALA 30 HB3 ALA 30 2.827 21.591 6.519
221 H ASN 31 HN ASN 31 0.654 18.599 7.494
222 HA ASN 31 HA ASN 31 -1.521 20.459 7.931
223 HB2 ASN 31 HB1 ASN 31 -1.518 18.890 6.002
224 HB3 ASN 31 HB2 ASN 31 -1.624 17.543 7.131
225 HD21 ASN 31 HD21 ASN 31 -3.281 20.337 5.843
226 HD22 ASN 31 HD22 ASN 31 -4.873 19.843 6.298
227 H GLY 32 HN GLY 32 -1.083 20.690 10.251
228 HA2 GLY 32 HA1 GLY 32 -1.791 20.332 12.411
229 HA3 GLY 32 HA2 GLY 32 -2.853 19.078 11.787
230 H GLY 33 HN GLY 33 0.632 19.636 12.328
231 HA2 GLY 33 HA1 GLY 33 0.750 16.938 13.516
232 HA3 GLY 33 HA2 GLY 33 1.949 17.453 12.339
233 H ASN 34 HN ASN 34 0.474 18.946 15.223
234 HA ASN 34 HA ASN 34 3.119 19.875 16.033
235 HB2 ASN 34 HB1 ASN 34 0.522 20.477 17.439
236 HB3 ASN 34 HB2 ASN 34 2.019 21.405 17.466
237 HD21 ASN 34 HD21 ASN 34 2.286 22.996 16.040
238 HD22 ASN 34 HD22 ASN 34 1.213 23.347 14.732
239 H GLY 35 HN GLY 35 4.158 19.242 17.874
240 HA2 GLY 35 HA1 GLY 35 4.147 18.268 20.084
241 HA3 GLY 35 HA2 GLY 35 2.798 17.260 19.581
242 H PHE 36 HN PHE 36 5.330 16.465 20.785
243 HA PHE 36 HA PHE 36 6.036 14.422 18.843
244 HB2 PHE 36 HB1 PHE 36 8.158 16.183 20.088
245 HB3 PHE 36 HB2 PHE 36 8.436 14.816 19.013
246 HD1 PHE 36 HD1 PHE 36 7.569 14.962 16.641
247 HD2 PHE 36 HD2 PHE 36 7.797 18.326 19.238
248 HE1 PHE 36 HE1 PHE 36 7.456 16.466 14.697
249 HE2 PHE 36 HE2 PHE 36 7.684 19.835 17.299
250 HZ PHE 36 HZ PHE 36 7.512 18.906 15.025
251 H TRP 37 HN TRP 37 6.997 12.575 19.766
252 HA TRP 37 HA TRP 37 7.348 12.523 22.661
253 HB2 TRP 37 HB1 TRP 37 5.387 10.753 21.187
254 HB3 TRP 37 HB2 TRP 37 5.913 10.484 22.847
255 HD1 TRP 37 HD1 TRP 37 3.278 12.182 20.907
256 HE1 TRP 37 HE1 TRP 37 1.920 13.768 22.411
257 HE3 TRP 37 HE3 TRP 37 6.363 12.274 24.983
258 HZ2 TRP 37 HZ2 TRP 37 2.129 14.908 24.985
259 HZ3 TRP 37 HZ3 TRP 37 5.711 13.637 26.924
260 HH2 TRP 37 HH2 TRP 37 3.638 14.927 26.923
Start of MODEL 7
1 H1 LYS 1 HN LYS 1 3.499 2.461 -5.569
2 HA LYS 1 HA LYS 1 3.127 -0.060 -6.997
3 HB2 LYS 1 HB1 LYS 1 4.096 1.980 -8.122
4 HB3 LYS 1 HB2 LYS 1 5.508 1.796 -7.089
5 HG2 LYS 1 HG1 LYS 1 5.960 -0.383 -8.052
6 HG3 LYS 1 HG2 LYS 1 4.508 -0.263 -9.047
7 HD2 LYS 1 HD1 LYS 1 5.522 1.853 -10.015
8 HD3 LYS 1 HD2 LYS 1 7.024 1.381 -9.217
9 HE2 LYS 1 HE1 LYS 1 7.290 -0.499 -10.554
10 HE3 LYS 1 HE2 LYS 1 5.583 -0.548 -10.995
11 HZ1 LYS 1 HZ1 LYS 1 6.078 0.576 -12.817
12 HZ2 LYS 1 HZ2 LYS 1 7.704 0.678 -12.364
13 HZ3 LYS 1 HZ3 LYS 1 6.616 1.882 -11.886
14 H TYR 2 HN TYR 2 4.793 1.278 -4.269
15 HA TYR 2 HA TYR 2 6.622 -0.946 -4.010
16 HB2 TYR 2 HB1 TYR 2 6.035 1.206 -1.974
17 HB3 TYR 2 HB2 TYR 2 7.461 0.179 -2.064
18 HD1 TYR 2 HD2 TYR 2 9.059 0.488 -3.989
19 HD2 TYR 2 HD1 TYR 2 5.924 3.243 -3.163
20 HE1 TYR 2 HE2 TYR 2 10.203 2.188 -5.348
21 HE2 TYR 2 HE1 TYR 2 7.059 4.951 -4.521
22 HH TYR 2 HH TYR 2 9.209 5.490 -5.381
23 H TYR 3 HN TYR 3 5.005 -2.631 -3.944
24 HA TYR 3 HA TYR 3 3.278 -2.740 -1.610
25 HB2 TYR 3 HB1 TYR 3 2.705 -3.552 -4.010
26 HB3 TYR 3 HB2 TYR 3 3.636 -4.982 -3.578
27 HD1 TYR 3 HD2 TYR 3 2.833 -6.510 -1.842
28 HD2 TYR 3 HD1 TYR 3 0.546 -3.122 -3.021
29 HE1 TYR 3 HE2 TYR 3 0.856 -7.467 -0.735
30 HE2 TYR 3 HE1 TYR 3 -1.438 -4.069 -1.916
31 HH TYR 3 HH TYR 3 -1.239 -6.908 0.096
32 H GLY 4 HN GLY 4 5.313 -2.676 -0.244
33 HA2 GLY 4 HA1 GLY 4 5.986 -5.434 0.468
34 HA3 GLY 4 HA2 GLY 4 7.315 -4.344 0.104
35 H ASN 5 HN ASN 5 7.169 -5.566 2.552
36 HA ASN 5 HA ASN 5 5.856 -3.962 4.506
37 HB2 ASN 5 HB1 ASN 5 6.651 -6.411 4.703
38 HB3 ASN 5 HB2 ASN 5 8.230 -5.723 5.072
39 HD21 ASN 5 HD21 ASN 5 8.073 -6.724 7.129
40 HD22 ASN 5 HD22 ASN 5 7.128 -6.008 8.386
41 H GLY 6 HN GLY 6 9.132 -4.073 3.191
42 HA2 GLY 6 HA1 GLY 6 9.826 -1.487 3.314
43 HA3 GLY 6 HA2 GLY 6 10.044 -1.981 4.986
44 H VAL 7 HN VAL 7 10.786 -4.741 3.905
45 HA VAL 7 HA VAL 7 13.590 -4.373 3.980
46 HB VAL 7 HB VAL 7 13.725 -6.774 3.373
47 HG11 VAL 7 HG11 VAL 7 12.874 -5.651 5.706
48 HG12 VAL 7 HG12 VAL 7 11.605 -6.837 5.391
49 HG13 VAL 7 HG13 VAL 7 13.289 -7.352 5.495
50 HG21 VAL 7 HG21 VAL 7 11.908 -7.017 1.855
51 HG22 VAL 7 HG22 VAL 7 11.551 -8.028 3.255
52 HG23 VAL 7 HG23 VAL 7 10.744 -6.472 3.064
53 H HIS 8 HN HIS 8 11.305 -4.924 1.344
54 HA HIS 8 HA HIS 8 13.304 -5.164 -0.679
55 HB2 HIS 8 HB1 HIS 8 10.996 -6.095 -0.876
56 HB3 HIS 8 HB2 HIS 8 10.383 -4.449 -1.007
57 HD1 HIS 8 HD1 HIS 8 9.483 -4.886 -3.387
58 HD2 HIS 8 HD2 HIS 8 13.589 -5.396 -3.007
59 HE1 HIS 8 HE1 HIS 8 10.366 -5.010 -5.739
60 H LEU 9 HN LEU 9 11.520 -2.514 0.733
61 HA LEU 9 HA LEU 9 11.977 -0.573 -1.246
62 HB2 LEU 9 HB1 LEU 9 10.369 -0.005 0.325
63 HB3 LEU 9 HB2 LEU 9 11.388 -0.478 1.683
64 HG LEU 9 HG LEU 9 12.266 1.845 0.056
65 HD11 LEU 9 HD11 LEU 9 9.722 1.716 1.538
66 HD12 LEU 9 HD12 LEU 9 10.219 2.775 0.219
67 HD13 LEU 9 HD13 LEU 9 10.744 3.114 1.868
68 HD21 LEU 9 HD21 LEU 9 13.691 1.899 1.759
69 HD22 LEU 9 HD22 LEU 9 12.787 0.659 2.628
70 HD23 LEU 9 HD23 LEU 9 12.343 2.358 2.800
71 H THR 10 HN THR 10 14.059 -1.978 1.105
72 HA THR 10 HA THR 10 15.954 0.122 1.320
73 HB THR 10 HB THR 10 16.537 -2.821 1.658
74 HG1 THR 10 HG1 THR 10 15.280 -0.971 3.414
75 HG21 THR 10 HG21 THR 10 18.464 -2.202 2.647
76 HG22 THR 10 HG22 THR 10 17.716 -0.829 3.465
77 HG23 THR 10 HG23 THR 10 18.225 -0.684 1.783
78 H LYS 11 HN LYS 11 16.223 -2.994 -0.405
79 HA LYS 11 HA LYS 11 18.486 -2.168 -1.912
80 HB2 LYS 11 HB1 LYS 11 16.580 -4.488 -2.171
81 HB3 LYS 11 HB2 LYS 11 17.920 -4.246 -3.283
82 HG2 LYS 11 HG1 LYS 11 18.744 -5.753 -1.717
83 HG3 LYS 11 HG2 LYS 11 19.401 -4.199 -1.198
84 HD2 LYS 11 HD1 LYS 11 17.981 -4.062 0.625
85 HD3 LYS 11 HD2 LYS 11 16.799 -5.164 -0.084
86 HE2 LYS 11 HE1 LYS 11 19.522 -6.195 0.540
87 HE3 LYS 11 HE2 LYS 11 18.395 -5.931 1.870
88 HZ1 LYS 11 HZ1 LYS 11 17.323 -7.780 1.346
89 HZ2 LYS 11 HZ2 LYS 11 18.515 -8.121 0.196
90 HZ3 LYS 11 HZ3 LYS 11 17.114 -7.288 -0.259
91 H SER 12 HN SER 12 15.048 -1.978 -2.402
92 HA SER 12 HA SER 12 15.022 -1.602 -5.194
93 HB2 SER 12 HB1 SER 12 13.120 -0.791 -2.999
94 HB3 SER 12 HB2 SER 12 12.806 -0.404 -4.690
95 HG SER 12 HG SER 12 12.501 -2.483 -5.133
96 H GLY 13 HN GLY 13 15.881 0.484 -2.575
97 HA2 GLY 13 HA1 GLY 13 17.316 2.356 -3.759
98 HA3 GLY 13 HA2 GLY 13 15.710 2.879 -4.242
99 H LEU 14 HN LEU 14 17.308 1.775 -1.248
100 HA LEU 14 HA LEU 14 15.668 3.136 0.532
101 HB2 LEU 14 HB1 LEU 14 17.246 2.668 2.180
102 HB3 LEU 14 HB2 LEU 14 17.453 1.378 0.997
103 HG LEU 14 HG LEU 14 19.220 3.815 1.124
104 HD11 LEU 14 HD11 LEU 14 19.107 2.036 3.127
105 HD12 LEU 14 HD12 LEU 14 20.598 2.826 2.612
106 HD13 LEU 14 HD13 LEU 14 20.222 1.198 2.047
107 HD21 LEU 14 HD21 LEU 14 19.490 1.144 -0.251
108 HD22 LEU 14 HD22 LEU 14 20.736 2.391 -0.198
109 HD23 LEU 14 HD23 LEU 14 19.210 2.703 -1.026
110 H SER 15 HN SER 15 18.219 4.313 -1.486
111 HA SER 15 HA SER 15 18.745 6.718 -0.052
112 HB2 SER 15 HB1 SER 15 19.632 7.400 -2.436
113 HB3 SER 15 HB2 SER 15 20.485 6.183 -1.486
114 HG SER 15 HG SER 15 20.230 5.088 -3.286
115 H VAL 16 HN VAL 16 16.863 6.027 -2.997
116 HA VAL 16 HA VAL 16 15.850 8.669 -3.249
117 HB VAL 16 HB VAL 16 15.960 7.126 -5.157
118 HG11 VAL 16 HG11 VAL 16 13.875 5.610 -3.605
119 HG12 VAL 16 HG12 VAL 16 14.138 5.387 -5.336
120 HG13 VAL 16 HG13 VAL 16 15.433 5.028 -4.192
121 HG21 VAL 16 HG21 VAL 16 13.055 7.707 -4.773
122 HG22 VAL 16 HG22 VAL 16 14.212 9.036 -4.847
123 HG23 VAL 16 HG23 VAL 16 14.062 7.921 -6.205
124 H ASN 17 HN ASN 17 14.889 5.897 -1.411
125 HA ASN 17 HA ASN 17 12.171 6.548 -1.012
126 HB2 ASN 17 HB1 ASN 17 12.752 4.344 -0.458
127 HB3 ASN 17 HB2 ASN 17 14.148 4.851 0.487
128 HD21 ASN 17 HD21 ASN 17 10.742 5.832 0.518
129 HD22 ASN 17 HD22 ASN 17 10.479 5.481 2.189
130 H TRP 18 HN TRP 18 15.123 7.444 0.692
131 HA TRP 18 HA TRP 18 14.027 8.609 2.964
132 HB2 TRP 18 HB1 TRP 18 16.440 8.233 2.650
133 HB3 TRP 18 HB2 TRP 18 16.478 9.501 1.428
134 HD1 TRP 18 HD1 TRP 18 15.299 9.305 5.136
135 HE1 TRP 18 HE1 TRP 18 16.121 11.432 6.330
136 HE3 TRP 18 HE3 TRP 18 17.624 11.598 1.202
137 HZ2 TRP 18 HZ2 TRP 18 17.563 13.772 5.689
138 HZ3 TRP 18 HZ3 TRP 18 18.700 13.779 1.577
139 HH2 TRP 18 HH2 TRP 18 18.668 14.842 3.774
140 H GLY 19 HN GLY 19 14.884 10.205 -0.112
141 HA2 GLY 19 HA1 GLY 19 14.032 12.768 0.494
142 HA3 GLY 19 HA2 GLY 19 14.016 12.077 -1.122
143 H GLU 20 HN GLU 20 12.113 10.000 -0.538
144 HA GLU 20 HA GLU 20 9.716 11.485 -0.959
145 HB2 GLU 20 HB1 GLU 20 10.367 8.568 -0.695
146 HB3 GLU 20 HB2 GLU 20 8.693 9.103 -0.716
147 HG2 GLU 20 HG1 GLU 20 10.750 9.503 -2.872
148 HG3 GLU 20 HG2 GLU 20 9.336 8.451 -2.926
149 H ALA 21 HN ALA 21 10.878 9.418 1.689
150 HA ALA 21 HA ALA 21 8.624 9.711 3.346
151 HB1 ALA 21 HB1 ALA 21 11.177 9.390 4.744
152 HB2 ALA 21 HB2 ALA 21 9.736 8.371 4.757
153 HB3 ALA 21 HB3 ALA 21 10.907 8.227 3.445
154 H PHE 22 HN PHE 22 11.553 11.631 2.985
155 HA PHE 22 HA PHE 22 11.381 13.236 5.238
156 HB2 PHE 22 HB1 PHE 22 13.251 13.184 3.540
157 HB3 PHE 22 HB2 PHE 22 12.249 14.203 2.512
158 HD1 PHE 22 HD1 PHE 22 11.604 16.482 3.312
159 HD2 PHE 22 HD2 PHE 22 14.500 14.089 5.312
160 HE1 PHE 22 HE1 PHE 22 12.459 18.483 4.461
161 HE2 PHE 22 HE2 PHE 22 15.359 16.085 6.465
162 HZ PHE 22 HZ PHE 22 14.338 18.286 6.040
163 H SER 23 HN SER 23 10.142 14.019 1.984
164 HA SER 23 HA SER 23 8.837 16.370 2.605
165 HB2 SER 23 HB1 SER 23 9.164 15.088 0.323
166 HB3 SER 23 HB2 SER 23 7.549 14.476 0.678
167 HG SER 23 HG SER 23 8.389 17.095 0.139
168 H ALA 24 HN ALA 24 7.725 13.050 2.991
169 HA ALA 24 HA ALA 24 5.042 13.575 3.610
170 HB1 ALA 24 HB1 ALA 24 6.811 11.319 3.664
171 HB2 ALA 24 HB2 ALA 24 5.812 11.339 5.118
172 HB3 ALA 24 HB3 ALA 24 5.053 11.358 3.526
173 H GLY 25 HN GLY 25 7.907 13.361 5.694
174 HA2 GLY 25 HA1 GLY 25 6.641 13.573 8.171
175 HA3 GLY 25 HA2 GLY 25 8.280 14.108 7.832
176 H VAL 26 HN VAL 26 7.973 16.187 6.149
177 HA VAL 26 HA VAL 26 7.322 18.315 7.821
178 HB VAL 26 HB VAL 26 7.387 18.320 4.800
179 HG11 VAL 26 HG11 VAL 26 6.550 20.386 5.126
180 HG12 VAL 26 HG12 VAL 26 7.038 20.431 6.822
181 HG13 VAL 26 HG13 VAL 26 8.215 20.776 5.554
182 HG21 VAL 26 HG21 VAL 26 9.457 17.465 5.751
183 HG22 VAL 26 HG22 VAL 26 9.709 19.069 5.064
184 HG23 VAL 26 HG23 VAL 26 9.568 18.871 6.810
185 H HIS 27 HN HIS 27 5.379 16.644 5.400
186 HA HIS 27 HA HIS 27 3.199 18.431 5.379
187 HB2 HIS 27 HB1 HIS 27 3.427 15.497 4.715
188 HB3 HIS 27 HB2 HIS 27 1.920 16.391 4.539
189 HD1 HIS 27 HD1 HIS 27 3.229 19.017 3.380
190 HD2 HIS 27 HD2 HIS 27 3.931 15.151 2.031
191 HE1 HIS 27 HE1 HIS 27 4.016 19.266 1.005
192 H ARG 28 HN ARG 28 3.904 15.571 7.337
193 HA ARG 28 HA ARG 28 1.419 15.495 8.687
194 HB2 ARG 28 HB1 ARG 28 3.023 13.597 8.577
195 HB3 ARG 28 HB2 ARG 28 4.099 14.482 9.651
196 HG2 ARG 28 HG1 ARG 28 2.907 12.886 10.951
197 HG3 ARG 28 HG2 ARG 28 2.281 14.486 11.355
198 HD2 ARG 28 HD1 ARG 28 0.372 14.126 9.888
199 HD3 ARG 28 HD2 ARG 28 1.010 12.549 9.423
200 HE ARG 28 HE ARG 28 0.624 12.825 12.252
201 HH11 ARG 28 HH11 ARG 28 -0.919 12.049 9.229
202 HH12 ARG 28 HH12 ARG 28 -2.159 11.085 9.960
203 HH21 ARG 28 HH21 ARG 28 -1.004 11.558 13.226
204 HH22 ARG 28 HH22 ARG 28 -2.207 10.807 12.233
205 H LEU 29 HN LEU 29 4.557 16.921 9.536
206 HA LEU 29 HA LEU 29 3.769 17.894 12.067
207 HB2 LEU 29 HB1 LEU 29 6.024 18.372 10.201
208 HB3 LEU 29 HB2 LEU 29 5.740 19.576 11.455
209 HG LEU 29 HG LEU 29 6.197 16.643 11.988
210 HD11 LEU 29 HD11 LEU 29 8.268 18.503 12.824
211 HD12 LEU 29 HD12 LEU 29 8.072 18.437 11.073
212 HD13 LEU 29 HD13 LEU 29 8.402 16.961 11.979
213 HD21 LEU 29 HD21 LEU 29 6.838 17.959 14.253
214 HD22 LEU 29 HD22 LEU 29 5.244 17.277 13.929
215 HD23 LEU 29 HD23 LEU 29 5.545 18.992 13.642
216 H ALA 30 HN ALA 30 3.425 19.132 8.830
217 HA ALA 30 HA ALA 30 2.936 21.835 9.425
218 HB1 ALA 30 HB1 ALA 30 3.336 20.696 7.149
219 HB2 ALA 30 HB2 ALA 30 1.594 20.418 7.153
220 HB3 ALA 30 HB3 ALA 30 2.224 22.063 7.224
221 H ASN 31 HN ASN 31 0.830 19.013 9.384
222 HA ASN 31 HA ASN 31 -1.540 20.600 9.886
223 HB2 ASN 31 HB1 ASN 31 -1.873 18.668 8.522
224 HB3 ASN 31 HB2 ASN 31 -1.054 17.627 9.682
225 HD21 ASN 31 HD21 ASN 31 -3.709 19.986 9.744
226 HD22 ASN 31 HD22 ASN 31 -4.807 18.978 10.618
227 H GLY 32 HN GLY 32 0.051 17.916 11.630
228 HA2 GLY 32 HA1 GLY 32 0.390 19.057 14.081
229 HA3 GLY 32 HA2 GLY 32 -1.304 18.587 14.079
230 H GLY 33 HN GLY 33 2.001 17.389 13.818
231 HA2 GLY 33 HA1 GLY 33 1.011 14.670 14.373
232 HA3 GLY 33 HA2 GLY 33 2.577 15.053 13.673
233 H ASN 34 HN ASN 34 0.768 14.628 16.573
234 HA ASN 34 HA ASN 34 2.935 15.564 18.273
235 HB2 ASN 34 HB1 ASN 34 0.221 14.392 18.908
236 HB3 ASN 34 HB2 ASN 34 1.388 14.882 20.132
237 HD21 ASN 34 HD21 ASN 34 2.302 17.192 19.579
238 HD22 ASN 34 HD22 ASN 34 1.079 18.379 19.295
239 H GLY 35 HN GLY 35 4.584 14.087 17.778
240 HA2 GLY 35 HA1 GLY 35 4.302 11.533 19.166
241 HA3 GLY 35 HA2 GLY 35 4.719 11.463 17.461
242 H PHE 36 HN PHE 36 6.652 10.355 18.239
243 HA PHE 36 HA PHE 36 8.605 12.001 19.632
244 HB2 PHE 36 HB1 PHE 36 8.515 9.118 18.784
245 HB3 PHE 36 HB2 PHE 36 10.027 9.861 19.294
246 HD1 PHE 36 HD1 PHE 36 10.296 10.666 21.600
247 HD2 PHE 36 HD2 PHE 36 6.810 8.568 20.350
248 HE1 PHE 36 HE1 PHE 36 9.710 10.243 23.953
249 HE2 PHE 36 HE2 PHE 36 6.218 8.143 22.700
250 HZ PHE 36 HZ PHE 36 7.668 8.982 24.505
251 H TRP 37 HN TRP 37 10.944 11.735 18.713
252 HA TRP 37 HA TRP 37 10.861 12.828 16.020
253 HB2 TRP 37 HB1 TRP 37 12.187 13.912 17.849
254 HB3 TRP 37 HB2 TRP 37 13.245 12.504 17.851
255 HD1 TRP 37 HD1 TRP 37 14.658 12.081 15.509
256 HE1 TRP 37 HE1 TRP 37 15.616 13.804 13.854
257 HE3 TRP 37 HE3 TRP 37 11.849 16.138 16.845
258 HZ2 TRP 37 HZ2 TRP 37 15.231 16.523 13.202
259 HZ3 TRP 37 HZ3 TRP 37 12.206 18.263 15.657
260 HH2 TRP 37 HH2 TRP 37 13.863 18.450 13.874
Start of MODEL 8
1 H1 LYS 1 HN LYS 1 0.964 3.743 -0.599
2 HA LYS 1 HA LYS 1 -0.066 1.178 0.398
3 HB2 LYS 1 HB1 LYS 1 2.177 1.962 -1.373
4 HB3 LYS 1 HB2 LYS 1 2.477 0.608 -0.292
5 HG2 LYS 1 HG1 LYS 1 1.700 -0.416 -2.212
6 HG3 LYS 1 HG2 LYS 1 0.255 -0.326 -1.203
7 HD2 LYS 1 HD1 LYS 1 0.808 1.945 -3.037
8 HD3 LYS 1 HD2 LYS 1 0.252 0.429 -3.751
9 HE2 LYS 1 HE1 LYS 1 -1.209 1.451 -1.379
10 HE3 LYS 1 HE2 LYS 1 -1.427 2.311 -2.902
11 HZ1 LYS 1 HZ1 LYS 1 -2.855 0.752 -3.505
12 HZ2 LYS 1 HZ2 LYS 1 -2.578 -0.119 -2.082
13 HZ3 LYS 1 HZ3 LYS 1 -1.626 -0.409 -3.449
14 H TYR 2 HN TYR 2 1.238 0.007 1.974
15 HA TYR 2 HA TYR 2 3.141 1.531 3.539
16 HB2 TYR 2 HB1 TYR 2 0.421 0.766 4.577
17 HB3 TYR 2 HB2 TYR 2 1.789 0.988 5.662
18 HD1 TYR 2 HD1 TYR 2 2.935 3.237 5.721
19 HD2 TYR 2 HD2 TYR 2 -0.782 2.615 3.745
20 HE1 TYR 2 HE1 TYR 2 2.515 5.660 5.761
21 HE2 TYR 2 HE2 TYR 2 -1.211 5.037 3.779
22 HH TYR 2 HH TYR 2 0.436 7.197 3.900
23 H TYR 3 HN TYR 3 4.696 0.219 4.227
24 HA TYR 3 HA TYR 3 5.884 -1.670 4.669
25 HB2 TYR 3 HB1 TYR 3 3.282 -2.866 5.620
26 HB3 TYR 3 HB2 TYR 3 4.911 -3.252 6.163
27 HD1 TYR 3 HD1 TYR 3 6.151 -0.784 6.814
28 HD2 TYR 3 HD2 TYR 3 2.073 -1.887 7.318
29 HE1 TYR 3 HE1 TYR 3 5.937 0.860 8.631
30 HE2 TYR 3 HE2 TYR 3 1.847 -0.246 9.136
31 HH TYR 3 HH TYR 3 2.965 1.851 9.873
32 H GLY 4 HN GLY 4 5.014 -1.431 2.037
33 HA2 GLY 4 HA1 GLY 4 3.746 -3.774 1.060
34 HA3 GLY 4 HA2 GLY 4 4.683 -2.633 0.107
35 H ASN 5 HN ASN 5 5.904 -4.003 -1.088
36 HA ASN 5 HA ASN 5 7.113 -6.356 -0.059
37 HB2 ASN 5 HB1 ASN 5 7.310 -4.799 -2.602
38 HB3 ASN 5 HB2 ASN 5 8.545 -6.005 -2.255
39 HD21 ASN 5 HD21 ASN 5 6.066 -5.677 -4.101
40 HD22 ASN 5 HD22 ASN 5 5.317 -7.231 -4.003
41 H GLY 6 HN GLY 6 8.857 -3.598 -1.481
42 HA2 GLY 6 HA1 GLY 6 10.555 -2.320 -0.467
43 HA3 GLY 6 HA2 GLY 6 10.580 -3.457 0.873
44 H VAL 7 HN VAL 7 10.634 -5.662 -1.263
45 HA VAL 7 HA VAL 7 13.435 -6.071 -1.217
46 HB VAL 7 HB VAL 7 12.981 -7.985 -2.729
47 HG11 VAL 7 HG11 VAL 7 11.199 -7.672 -0.320
48 HG12 VAL 7 HG12 VAL 7 11.475 -9.204 -1.150
49 HG13 VAL 7 HG13 VAL 7 12.819 -8.365 -0.375
50 HG21 VAL 7 HG21 VAL 7 10.405 -6.572 -2.996
51 HG22 VAL 7 HG22 VAL 7 11.266 -7.592 -4.149
52 HG23 VAL 7 HG23 VAL 7 10.316 -8.328 -2.858
53 H HIS 8 HN HIS 8 11.203 -4.947 -3.714
54 HA HIS 8 HA HIS 8 13.165 -4.856 -5.785
55 HB2 HIS 8 HB1 HIS 8 10.671 -5.009 -6.134
56 HB3 HIS 8 HB2 HIS 8 10.568 -3.315 -5.664
57 HD1 HIS 8 HD1 HIS 8 11.640 -1.571 -7.310
58 HD2 HIS 8 HD2 HIS 8 11.520 -5.475 -8.724
59 HE1 HIS 8 HE1 HIS 8 12.078 -1.405 -9.781
60 H LEU 9 HN LEU 9 11.964 -2.577 -3.402
61 HA LEU 9 HA LEU 9 13.062 -0.229 -4.485
62 HB2 LEU 9 HB1 LEU 9 11.497 0.115 -2.812
63 HB3 LEU 9 HB2 LEU 9 12.228 -1.083 -1.745
64 HG LEU 9 HG LEU 9 13.805 1.360 -2.346
65 HD11 LEU 9 HD11 LEU 9 12.040 2.665 -1.832
66 HD12 LEU 9 HD12 LEU 9 12.463 2.212 -0.181
67 HD13 LEU 9 HD13 LEU 9 11.169 1.361 -1.025
68 HD21 LEU 9 HD21 LEU 9 15.021 0.387 -0.762
69 HD22 LEU 9 HD22 LEU 9 13.752 -0.792 -0.430
70 HD23 LEU 9 HD23 LEU 9 13.734 0.775 0.380
71 H THR 10 HN THR 10 14.508 -2.894 -2.859
72 HA THR 10 HA THR 10 16.824 -1.593 -1.862
73 HB THR 10 HB THR 10 16.870 -4.469 -2.703
74 HG1 THR 10 HG1 THR 10 15.403 -3.349 -0.534
75 HG21 THR 10 HG21 THR 10 18.585 -4.620 -1.267
76 HG22 THR 10 HG22 THR 10 17.727 -3.719 -0.017
77 HG23 THR 10 HG23 THR 10 18.597 -2.857 -1.286
78 H LYS 11 HN LYS 11 16.499 -3.800 -4.651
79 HA LYS 11 HA LYS 11 19.029 -3.092 -5.734
80 HB2 LYS 11 HB1 LYS 11 16.660 -4.483 -6.995
81 HB3 LYS 11 HB2 LYS 11 18.249 -4.351 -7.738
82 HG2 LYS 11 HG1 LYS 11 19.193 -5.565 -5.782
83 HG3 LYS 11 HG2 LYS 11 17.543 -5.813 -5.205
84 HD2 LYS 11 HD1 LYS 11 17.005 -6.996 -7.287
85 HD3 LYS 11 HD2 LYS 11 18.664 -6.763 -7.842
86 HE2 LYS 11 HE1 LYS 11 18.457 -8.981 -6.952
87 HE3 LYS 11 HE2 LYS 11 19.447 -8.024 -5.852
88 HZ1 LYS 11 HZ1 LYS 11 16.568 -8.658 -5.495
89 HZ2 LYS 11 HZ2 LYS 11 17.495 -7.707 -4.448
90 HZ3 LYS 11 HZ3 LYS 11 17.851 -9.350 -4.637
91 H SER 12 HN SER 12 15.802 -1.846 -6.103
92 HA SER 12 HA SER 12 16.140 -0.465 -8.534
93 HB2 SER 12 HB1 SER 12 13.926 -0.853 -7.582
94 HB3 SER 12 HB2 SER 12 14.323 0.157 -6.192
95 HG SER 12 HG SER 12 13.101 1.233 -7.865
96 H GLY 13 HN GLY 13 17.225 0.191 -5.321
97 HA2 GLY 13 HA1 GLY 13 19.174 1.928 -5.697
98 HA3 GLY 13 HA2 GLY 13 17.796 2.992 -5.937
99 H LEU 14 HN LEU 14 18.782 0.479 -3.602
100 HA LEU 14 HA LEU 14 17.352 1.456 -1.431
101 HB2 LEU 14 HB1 LEU 14 18.603 0.017 -0.094
102 HB3 LEU 14 HB2 LEU 14 18.607 -0.747 -1.682
103 HG LEU 14 HG LEU 14 20.888 0.919 -0.633
104 HD11 LEU 14 HD11 LEU 14 21.822 -0.867 0.373
105 HD12 LEU 14 HD12 LEU 14 21.156 -2.011 -0.792
106 HD13 LEU 14 HD13 LEU 14 20.146 -1.398 0.517
107 HD21 LEU 14 HD21 LEU 14 20.639 -1.019 -2.931
108 HD22 LEU 14 HD22 LEU 14 22.138 -0.253 -2.405
109 HD23 LEU 14 HD23 LEU 14 20.821 0.731 -3.045
110 H SER 15 HN SER 15 20.295 2.594 -2.848
111 HA SER 15 HA SER 15 21.243 4.067 -0.602
112 HB2 SER 15 HB1 SER 15 22.919 3.644 -2.162
113 HB3 SER 15 HB2 SER 15 21.880 4.030 -3.533
114 HG SER 15 HG SER 15 23.613 5.609 -2.424
115 H VAL 16 HN VAL 16 19.544 5.036 -3.579
116 HA VAL 16 HA VAL 16 19.225 7.746 -2.792
117 HB VAL 16 HB VAL 16 19.145 7.053 -5.148
118 HG11 VAL 16 HG11 VAL 16 18.036 4.962 -5.064
119 HG12 VAL 16 HG12 VAL 16 16.614 5.668 -4.292
120 HG13 VAL 16 HG13 VAL 16 16.984 6.045 -5.975
121 HG21 VAL 16 HG21 VAL 16 17.539 8.932 -3.879
122 HG22 VAL 16 HG22 VAL 16 17.942 8.874 -5.595
123 HG23 VAL 16 HG23 VAL 16 16.459 8.118 -5.011
124 H ASN 17 HN ASN 17 17.452 4.841 -2.160
125 HA ASN 17 HA ASN 17 14.945 5.977 -1.532
126 HB2 ASN 17 HB1 ASN 17 14.921 3.657 -1.872
127 HB3 ASN 17 HB2 ASN 17 16.301 3.393 -0.809
128 HD21 ASN 17 HD21 ASN 17 13.244 5.140 -0.390
129 HD22 ASN 17 HD22 ASN 17 12.745 4.272 1.019
130 H TRP 18 HN TRP 18 17.793 5.244 0.438
131 HA TRP 18 HA TRP 18 16.757 5.819 2.951
132 HB2 TRP 18 HB1 TRP 18 19.031 4.840 2.399
133 HB3 TRP 18 HB2 TRP 18 19.570 6.486 2.079
134 HD1 TRP 18 HD1 TRP 18 19.620 8.182 4.221
135 HE1 TRP 18 HE1 TRP 18 19.961 7.687 6.723
136 HE3 TRP 18 HE3 TRP 18 18.600 3.172 4.204
137 HZ2 TRP 18 HZ2 TRP 18 19.817 5.467 8.460
138 HZ3 TRP 18 HZ3 TRP 18 18.725 1.936 6.328
139 HH2 TRP 18 HH2 TRP 18 19.321 3.061 8.411
140 H GLY 19 HN GLY 19 18.488 8.022 0.740
141 HA2 GLY 19 HA1 GLY 19 18.247 10.328 2.313
142 HA3 GLY 19 HA2 GLY 19 18.469 10.310 0.569
143 H GLU 20 HN GLU 20 16.114 9.077 -0.235
144 HA GLU 20 HA GLU 20 14.328 11.252 -0.246
145 HB2 GLU 20 HB1 GLU 20 14.225 8.422 -1.185
146 HB3 GLU 20 HB2 GLU 20 12.717 9.320 -1.087
147 HG2 GLU 20 HG1 GLU 20 15.153 10.092 -2.677
148 HG3 GLU 20 HG2 GLU 20 13.642 9.448 -3.316
149 H ALA 21 HN ALA 21 14.283 8.181 1.525
150 HA ALA 21 HA ALA 21 11.792 8.546 2.783
151 HB1 ALA 21 HB1 ALA 21 13.771 7.063 4.344
152 HB2 ALA 21 HB2 ALA 21 12.203 6.553 3.718
153 HB3 ALA 21 HB3 ALA 21 13.622 6.525 2.671
154 H PHE 22 HN PHE 22 15.009 9.683 3.554
155 HA PHE 22 HA PHE 22 14.581 10.414 6.232
156 HB2 PHE 22 HB1 PHE 22 16.814 10.292 5.176
157 HB3 PHE 22 HB2 PHE 22 16.422 11.713 4.214
158 HD1 PHE 22 HD1 PHE 22 16.626 10.586 7.757
159 HD2 PHE 22 HD2 PHE 22 17.013 13.800 4.994
160 HE1 PHE 22 HE1 PHE 22 17.468 12.031 9.561
161 HE2 PHE 22 HE2 PHE 22 17.856 15.250 6.793
162 HZ PHE 22 HZ PHE 22 18.086 14.366 9.080
163 H SER 23 HN SER 23 14.684 12.575 3.394
164 HA SER 23 HA SER 23 13.643 14.819 4.690
165 HB2 SER 23 HB1 SER 23 13.550 14.039 1.768
166 HB3 SER 23 HB2 SER 23 13.099 15.630 2.379
167 HG SER 23 HG SER 23 15.153 16.070 2.813
168 H ALA 24 HN ALA 24 12.065 12.049 3.291
169 HA ALA 24 HA ALA 24 9.482 13.027 2.941
170 HB1 ALA 24 HB1 ALA 24 10.756 10.499 2.911
171 HB2 ALA 24 HB2 ALA 24 9.317 10.364 3.923
172 HB3 ALA 24 HB3 ALA 24 9.176 10.939 2.262
173 H GLY 25 HN GLY 25 10.942 11.531 5.825
174 HA2 GLY 25 HA1 GLY 25 8.651 11.700 7.457
175 HA3 GLY 25 HA2 GLY 25 10.306 11.557 8.030
176 H VAL 26 HN VAL 26 11.360 13.939 7.001
177 HA VAL 26 HA VAL 26 10.753 15.756 9.018
178 HB VAL 26 HB VAL 26 11.940 16.363 6.307
179 HG11 VAL 26 HG11 VAL 26 11.586 18.472 7.053
180 HG12 VAL 26 HG12 VAL 26 11.508 17.979 8.745
181 HG13 VAL 26 HG13 VAL 26 13.072 18.149 7.946
182 HG21 VAL 26 HG21 VAL 26 12.947 14.905 8.575
183 HG22 VAL 26 HG22 VAL 26 13.682 15.160 6.993
184 HG23 VAL 26 HG23 VAL 26 13.924 16.343 8.278
185 H HIS 27 HN HIS 27 9.567 15.597 5.684
186 HA HIS 27 HA HIS 27 8.088 17.991 5.726
187 HB2 HIS 27 HB1 HIS 27 8.735 16.467 3.728
188 HB3 HIS 27 HB2 HIS 27 7.255 15.594 4.115
189 HD1 HIS 27 HD1 HIS 27 7.332 16.874 1.427
190 HD2 HIS 27 HD2 HIS 27 6.044 18.912 4.810
191 HE1 HIS 27 HE1 HIS 27 5.885 18.745 0.574
192 H ARG 28 HN ARG 28 7.249 14.678 6.606
193 HA ARG 28 HA ARG 28 4.486 15.165 7.025
194 HB2 ARG 28 HB1 ARG 28 5.452 12.911 6.665
195 HB3 ARG 28 HB2 ARG 28 6.231 13.015 8.238
196 HG2 ARG 28 HG1 ARG 28 4.342 11.754 8.668
197 HG3 ARG 28 HG2 ARG 28 3.849 13.379 9.148
198 HD2 ARG 28 HD1 ARG 28 2.857 13.647 6.858
199 HD3 ARG 28 HD2 ARG 28 3.182 11.936 6.589
200 HE ARG 28 HE ARG 28 1.676 12.418 8.975
201 HH11 ARG 28 HH11 ARG 28 1.467 12.048 5.520
202 HH12 ARG 28 HH12 ARG 28 -0.184 11.524 5.545
203 HH21 ARG 28 HH21 ARG 28 -0.498 11.729 9.022
204 HH22 ARG 28 HH22 ARG 28 -1.301 11.344 7.538
205 H LEU 29 HN LEU 29 7.322 15.282 9.116
206 HA LEU 29 HA LEU 29 5.969 15.581 11.566
207 HB2 LEU 29 HB1 LEU 29 8.715 16.163 10.577
208 HB3 LEU 29 HB2 LEU 29 8.219 16.839 12.127
209 HG LEU 29 HG LEU 29 7.922 13.907 11.611
210 HD11 LEU 29 HD11 LEU 29 10.163 13.545 12.514
211 HD12 LEU 29 HD12 LEU 29 10.450 15.285 12.507
212 HD13 LEU 29 HD13 LEU 29 10.218 14.424 10.985
213 HD21 LEU 29 HD21 LEU 29 8.351 13.862 14.069
214 HD22 LEU 29 HD22 LEU 29 6.890 14.733 13.603
215 HD23 LEU 29 HD23 LEU 29 8.344 15.625 14.050
216 H ALA 30 HN ALA 30 7.284 17.989 9.309
217 HA ALA 30 HA ALA 30 6.571 20.265 10.799
218 HB1 ALA 30 HB1 ALA 30 7.865 19.758 8.384
219 HB2 ALA 30 HB2 ALA 30 6.473 20.756 7.960
220 HB3 ALA 30 HB3 ALA 30 7.633 21.325 9.160
221 H ASN 31 HN ASN 31 4.903 18.670 8.084
222 HA ASN 31 HA ASN 31 2.574 20.355 8.434
223 HB2 ASN 31 HB1 ASN 31 3.361 19.642 6.178
224 HB3 ASN 31 HB2 ASN 31 2.950 17.981 6.596
225 HD21 ASN 31 HD21 ASN 31 1.578 18.119 4.706
226 HD22 ASN 31 HD22 ASN 31 -0.000 18.805 4.856
227 H GLY 32 HN GLY 32 2.243 19.612 10.684
228 HA2 GLY 32 HA1 GLY 32 0.044 18.176 11.151
229 HA3 GLY 32 HA2 GLY 32 1.241 16.898 11.002
230 H GLY 33 HN GLY 33 3.327 18.694 12.184
231 HA2 GLY 33 HA1 GLY 33 2.646 18.120 14.969
232 HA3 GLY 33 HA2 GLY 33 4.248 18.485 14.346
233 H ASN 34 HN ASN 34 1.072 19.966 14.925
234 HA ASN 34 HA ASN 34 2.348 22.591 15.119
235 HB2 ASN 34 HB1 ASN 34 -0.515 21.685 14.896
236 HB3 ASN 34 HB2 ASN 34 -0.111 23.333 15.370
237 HD21 ASN 34 HD21 ASN 34 -0.536 24.570 13.686
238 HD22 ASN 34 HD22 ASN 34 -0.005 24.288 12.066
239 H GLY 35 HN GLY 35 -0.001 20.658 16.992
240 HA2 GLY 35 HA1 GLY 35 1.283 21.622 19.450
241 HA3 GLY 35 HA2 GLY 35 -0.444 21.884 19.250
242 H PHE 36 HN PHE 36 -1.671 20.438 20.234
243 HA PHE 36 HA PHE 36 -0.909 17.623 20.186
244 HB2 PHE 36 HB1 PHE 36 -1.517 17.477 22.662
245 HB3 PHE 36 HB2 PHE 36 0.036 18.209 22.273
246 HD1 PHE 36 HD2 PHE 36 -3.413 18.890 23.360
247 HD2 PHE 36 HD1 PHE 36 0.491 20.483 22.780
248 HE1 PHE 36 HE2 PHE 36 -4.045 20.894 24.639
249 HE2 PHE 36 HE1 PHE 36 -0.134 22.490 24.059
250 HZ PHE 36 HZ PHE 36 -2.405 22.698 24.990
251 H TRP 37 HN TRP 37 -2.736 16.290 21.271
252 HA TRP 37 HA TRP 37 -5.234 17.213 20.081
253 HB2 TRP 37 HB1 TRP 37 -4.496 14.964 19.504
254 HB3 TRP 37 HB2 TRP 37 -4.436 14.520 21.207
255 HD1 TRP 37 HD1 TRP 37 -7.284 16.197 19.158
256 HE1 TRP 37 HE1 TRP 37 -9.429 14.823 19.526
257 HE3 TRP 37 HE3 TRP 37 -5.377 12.495 22.124
258 HZ2 TRP 37 HZ2 TRP 37 -10.210 12.480 20.893
259 HZ3 TRP 37 HZ3 TRP 37 -6.890 10.725 22.920
260 HH2 TRP 37 HH2 TRP 37 -9.256 10.720 22.317
Start of MODEL 9
1 H1 LYS 1 HN LYS 1 6.509 0.286 -9.640
2 HA LYS 1 HA LYS 1 7.271 -1.798 -9.128
3 HB2 LYS 1 HB1 LYS 1 9.772 -0.235 -8.497
4 HB3 LYS 1 HB2 LYS 1 9.683 -1.984 -8.335
5 HG2 LYS 1 HG1 LYS 1 8.937 -0.672 -10.914
6 HG3 LYS 1 HG2 LYS 1 10.632 -0.950 -10.505
7 HD2 LYS 1 HD1 LYS 1 10.418 -3.239 -10.600
8 HD3 LYS 1 HD2 LYS 1 8.693 -3.199 -10.231
9 HE2 LYS 1 HE1 LYS 1 9.850 -2.178 -12.815
10 HE3 LYS 1 HE2 LYS 1 9.306 -3.840 -12.596
11 HZ1 LYS 1 HZ1 LYS 1 7.699 -1.362 -12.552
12 HZ2 LYS 1 HZ2 LYS 1 7.123 -2.793 -11.860
13 HZ3 LYS 1 HZ3 LYS 1 7.488 -2.739 -13.511
14 H TYR 2 HN TYR 2 5.668 -0.517 -7.286
15 HA TYR 2 HA TYR 2 6.817 -0.797 -4.649
16 HB2 TYR 2 HB1 TYR 2 5.197 0.975 -5.038
17 HB3 TYR 2 HB2 TYR 2 3.990 -0.201 -5.546
18 HD1 TYR 2 HD1 TYR 2 6.216 0.428 -2.603
19 HD2 TYR 2 HD2 TYR 2 2.376 -0.756 -4.001
20 HE1 TYR 2 HE1 TYR 2 5.436 0.236 -0.279
21 HE2 TYR 2 HE2 TYR 2 1.585 -0.949 -1.680
22 HH TYR 2 HH TYR 2 2.347 0.184 0.625
23 H TYR 3 HN TYR 3 7.361 -2.971 -4.475
24 HA TYR 3 HA TYR 3 5.169 -4.708 -3.752
25 HB2 TYR 3 HB1 TYR 3 6.804 -5.142 -6.216
26 HB3 TYR 3 HB2 TYR 3 6.304 -6.544 -5.276
27 HD1 TYR 3 HD2 TYR 3 3.696 -6.427 -4.574
28 HD2 TYR 3 HD1 TYR 3 5.438 -4.539 -7.966
29 HE1 TYR 3 HE2 TYR 3 1.496 -6.384 -5.672
30 HE2 TYR 3 HE1 TYR 3 3.242 -4.489 -9.073
31 HH TYR 3 HH TYR 3 0.657 -4.513 -8.034
32 H GLY 4 HN GLY 4 5.847 -5.285 -1.790
33 HA2 GLY 4 HA1 GLY 4 7.661 -7.120 -1.122
34 HA3 GLY 4 HA2 GLY 4 8.682 -5.697 -1.269
35 H ASN 5 HN ASN 5 8.277 -7.225 1.105
36 HA ASN 5 HA ASN 5 6.413 -5.938 2.825
37 HB2 ASN 5 HB1 ASN 5 7.248 -8.213 3.255
38 HB3 ASN 5 HB2 ASN 5 8.866 -7.570 3.517
39 HD21 ASN 5 HD21 ASN 5 9.338 -7.634 5.584
40 HD22 ASN 5 HD22 ASN 5 8.283 -7.212 6.885
41 H GLY 6 HN GLY 6 9.666 -5.253 1.835
42 HA2 GLY 6 HA1 GLY 6 9.942 -2.690 2.327
43 HA3 GLY 6 HA2 GLY 6 10.015 -3.287 3.978
44 H VAL 7 HN VAL 7 11.360 -5.784 2.816
45 HA VAL 7 HA VAL 7 14.023 -4.979 3.340
46 HB VAL 7 HB VAL 7 14.651 -7.259 2.587
47 HG11 VAL 7 HG11 VAL 7 13.892 -8.259 4.499
48 HG12 VAL 7 HG12 VAL 7 13.539 -6.572 4.879
49 HG13 VAL 7 HG13 VAL 7 12.253 -7.635 4.307
50 HG21 VAL 7 HG21 VAL 7 13.319 -8.034 0.934
51 HG22 VAL 7 HG22 VAL 7 12.386 -8.683 2.284
52 HG23 VAL 7 HG23 VAL 7 11.900 -7.168 1.523
53 H HIS 8 HN HIS 8 12.248 -5.645 0.358
54 HA HIS 8 HA HIS 8 14.514 -5.362 -1.353
55 HB2 HIS 8 HB1 HIS 8 11.540 -5.368 -1.855
56 HB3 HIS 8 HB2 HIS 8 12.713 -5.149 -3.150
57 HD1 HIS 8 HD1 HIS 8 14.223 -7.205 -3.735
58 HD2 HIS 8 HD2 HIS 8 11.247 -7.967 -0.938
59 HE1 HIS 8 HE1 HIS 8 14.072 -9.710 -3.580
60 H LEU 9 HN LEU 9 12.112 -3.185 -0.049
61 HA LEU 9 HA LEU 9 12.494 -1.018 -1.796
62 HB2 LEU 9 HB1 LEU 9 10.605 -0.880 -0.454
63 HB3 LEU 9 HB2 LEU 9 11.496 -1.292 1.010
64 HG LEU 9 HG LEU 9 12.153 1.282 -0.318
65 HD11 LEU 9 HD11 LEU 9 9.498 0.592 0.764
66 HD12 LEU 9 HD12 LEU 9 9.966 1.825 -0.406
67 HD13 LEU 9 HD13 LEU 9 10.196 2.114 1.318
68 HD21 LEU 9 HD21 LEU 9 13.313 1.399 1.575
69 HD22 LEU 9 HD22 LEU 9 12.498 -0.019 2.238
70 HD23 LEU 9 HD23 LEU 9 11.776 1.580 2.422
71 H THR 10 HN THR 10 14.432 -2.272 0.757
72 HA THR 10 HA THR 10 15.881 0.081 1.398
73 HB THR 10 HB THR 10 16.820 -2.782 1.655
74 HG1 THR 10 HG1 THR 10 15.605 -2.912 3.404
75 HG21 THR 10 HG21 THR 10 18.612 -2.005 2.751
76 HG22 THR 10 HG22 THR 10 17.646 -0.854 3.675
77 HG23 THR 10 HG23 THR 10 18.214 -0.433 2.060
78 H LYS 11 HN LYS 11 16.933 -2.783 -0.457
79 HA LYS 11 HA LYS 11 19.212 -1.472 -1.535
80 HB2 LYS 11 HB1 LYS 11 17.800 -3.995 -2.420
81 HB3 LYS 11 HB2 LYS 11 19.370 -3.464 -3.008
82 HG2 LYS 11 HG1 LYS 11 19.056 -3.720 -0.079
83 HG3 LYS 11 HG2 LYS 11 19.080 -5.212 -1.022
84 HD2 LYS 11 HD1 LYS 11 21.317 -5.004 -0.738
85 HD3 LYS 11 HD2 LYS 11 21.165 -3.941 -2.140
86 HE2 LYS 11 HE1 LYS 11 22.333 -2.561 -0.752
87 HE3 LYS 11 HE2 LYS 11 20.693 -2.138 -0.262
88 HZ1 LYS 11 HZ1 LYS 11 20.937 -3.847 1.525
89 HZ2 LYS 11 HZ2 LYS 11 21.941 -2.497 1.697
90 HZ3 LYS 11 HZ3 LYS 11 22.578 -3.957 1.127
91 H SER 12 HN SER 12 15.896 -1.757 -2.525
92 HA SER 12 HA SER 12 16.193 -1.166 -5.263
93 HB2 SER 12 HB1 SER 12 14.107 -2.067 -4.383
94 HB3 SER 12 HB2 SER 12 13.869 -0.624 -3.398
95 HG SER 12 HG SER 12 12.727 -0.114 -5.131
96 H GLY 13 HN GLY 13 16.370 0.802 -2.431
97 HA2 GLY 13 HA1 GLY 13 17.640 2.951 -3.265
98 HA3 GLY 13 HA2 GLY 13 16.063 3.273 -3.969
99 H LEU 14 HN LEU 14 17.314 2.152 -0.820
100 HA LEU 14 HA LEU 14 15.239 3.152 0.734
101 HB2 LEU 14 HB1 LEU 14 16.569 2.729 2.591
102 HB3 LEU 14 HB2 LEU 14 17.162 1.595 1.379
103 HG LEU 14 HG LEU 14 18.503 4.223 1.991
104 HD11 LEU 14 HD11 LEU 14 19.668 1.661 2.904
105 HD12 LEU 14 HD12 LEU 14 18.317 2.310 3.833
106 HD13 LEU 14 HD13 LEU 14 19.776 3.275 3.608
107 HD21 LEU 14 HD21 LEU 14 19.420 1.750 0.527
108 HD22 LEU 14 HD22 LEU 14 20.406 3.174 0.856
109 HD23 LEU 14 HD23 LEU 14 19.001 3.300 -0.203
110 H SER 15 HN SER 15 17.890 4.794 -0.758
111 HA SER 15 HA SER 15 17.866 7.117 0.890
112 HB2 SER 15 HB1 SER 15 18.905 6.681 -1.919
113 HB3 SER 15 HB2 SER 15 19.179 8.143 -0.972
114 HG SER 15 HG SER 15 19.832 5.689 0.188
115 H VAL 16 HN VAL 16 16.564 6.451 -2.358
116 HA VAL 16 HA VAL 16 15.256 8.960 -2.603
117 HB VAL 16 HB VAL 16 15.863 7.606 -4.562
118 HG11 VAL 16 HG11 VAL 16 15.477 5.387 -3.836
119 HG12 VAL 16 HG12 VAL 16 13.784 5.725 -3.467
120 HG13 VAL 16 HG13 VAL 16 14.332 5.683 -5.144
121 HG21 VAL 16 HG21 VAL 16 12.873 7.880 -4.518
122 HG22 VAL 16 HG22 VAL 16 13.936 9.287 -4.514
123 HG23 VAL 16 HG23 VAL 16 13.986 8.148 -5.860
124 H ASN 17 HN ASN 17 14.407 5.948 -1.124
125 HA ASN 17 HA ASN 17 11.585 6.325 -1.105
126 HB2 ASN 17 HB1 ASN 17 12.558 4.103 -0.835
127 HB3 ASN 17 HB2 ASN 17 13.349 4.609 0.655
128 HD21 ASN 17 HD21 ASN 17 10.094 4.681 -0.764
129 HD22 ASN 17 HD22 ASN 17 9.279 4.135 0.659
130 H TRP 18 HN TRP 18 14.192 7.083 1.149
131 HA TRP 18 HA TRP 18 12.620 7.863 3.334
132 HB2 TRP 18 HB1 TRP 18 15.063 7.471 3.445
133 HB3 TRP 18 HB2 TRP 18 15.326 8.944 2.516
134 HD1 TRP 18 HD1 TRP 18 14.355 7.736 6.006
135 HE1 TRP 18 HE1 TRP 18 14.504 9.720 7.639
136 HE3 TRP 18 HE3 TRP 18 15.147 11.501 2.639
137 HZ2 TRP 18 HZ2 TRP 18 14.904 12.512 7.516
138 HZ3 TRP 18 HZ3 TRP 18 15.402 13.800 3.479
139 HH2 TRP 18 HH2 TRP 18 15.282 14.293 5.868
140 H GLY 19 HN GLY 19 14.094 9.873 0.778
141 HA2 GLY 19 HA1 GLY 19 13.134 12.343 1.570
142 HA3 GLY 19 HA2 GLY 19 13.443 11.893 -0.101
143 H GLU 20 HN GLU 20 11.479 9.849 -0.309
144 HA GLU 20 HA GLU 20 9.215 11.436 -0.949
145 HB2 GLU 20 HB1 GLU 20 9.877 8.529 -1.054
146 HB3 GLU 20 HB2 GLU 20 8.188 9.002 -1.173
147 HG2 GLU 20 HG1 GLU 20 10.256 10.263 -2.926
148 HG3 GLU 20 HG2 GLU 20 9.556 8.696 -3.329
149 H ALA 21 HN ALA 21 9.941 9.172 1.664
150 HA ALA 21 HA ALA 21 7.359 9.191 2.827
151 HB1 ALA 21 HB1 ALA 21 9.606 8.750 4.658
152 HB2 ALA 21 HB2 ALA 21 8.218 7.725 4.292
153 HB3 ALA 21 HB3 ALA 21 9.617 7.730 3.219
154 H PHE 22 HN PHE 22 10.251 11.149 3.330
155 HA PHE 22 HA PHE 22 9.383 12.519 5.628
156 HB2 PHE 22 HB1 PHE 22 11.728 12.438 4.508
157 HB3 PHE 22 HB2 PHE 22 11.142 13.800 3.558
158 HD1 PHE 22 HD1 PHE 22 11.807 12.637 7.003
159 HD2 PHE 22 HD2 PHE 22 11.079 15.968 4.456
160 HE1 PHE 22 HE1 PHE 22 12.410 14.165 8.835
161 HE2 PHE 22 HE2 PHE 22 11.682 17.501 6.283
162 HZ PHE 22 HZ PHE 22 12.349 16.600 8.476
163 H SER 23 HN SER 23 9.035 13.246 2.182
164 HA SER 23 HA SER 23 7.935 15.788 2.362
165 HB2 SER 23 HB1 SER 23 7.791 13.582 0.361
166 HB3 SER 23 HB2 SER 23 6.648 14.915 0.196
167 HG SER 23 HG SER 23 8.404 15.564 -0.919
168 H ALA 24 HN ALA 24 6.292 12.640 2.411
169 HA ALA 24 HA ALA 24 3.664 13.581 2.555
170 HB1 ALA 24 HB1 ALA 24 5.038 11.051 2.977
171 HB2 ALA 24 HB2 ALA 24 3.619 11.245 4.007
172 HB3 ALA 24 HB3 ALA 24 3.462 11.379 2.256
173 H GLY 25 HN GLY 25 5.979 12.827 5.141
174 HA2 GLY 25 HA1 GLY 25 4.316 13.181 7.340
175 HA3 GLY 25 HA2 GLY 25 6.047 13.484 7.339
176 H VAL 26 HN VAL 26 5.832 15.582 5.293
177 HA VAL 26 HA VAL 26 5.582 17.811 6.980
178 HB VAL 26 HB VAL 26 5.449 17.751 3.962
179 HG11 VAL 26 HG11 VAL 26 4.883 19.906 4.287
180 HG12 VAL 26 HG12 VAL 26 5.475 19.921 5.949
181 HG13 VAL 26 HG13 VAL 26 6.605 20.107 4.607
182 HG21 VAL 26 HG21 VAL 26 7.588 17.181 5.778
183 HG22 VAL 26 HG22 VAL 26 7.590 17.155 4.014
184 HG23 VAL 26 HG23 VAL 26 7.955 18.650 4.874
185 H HIS 27 HN HIS 27 3.321 16.317 4.725
186 HA HIS 27 HA HIS 27 1.349 18.338 4.819
187 HB2 HIS 27 HB1 HIS 27 1.388 16.641 3.056
188 HB3 HIS 27 HB2 HIS 27 1.058 15.382 4.242
189 HD1 HIS 27 HD1 HIS 27 -1.123 14.751 2.976
190 HD2 HIS 27 HD2 HIS 27 -1.060 18.629 4.464
191 HE1 HIS 27 HE1 HIS 27 -3.499 15.562 2.838
192 H ARG 28 HN ARG 28 1.907 15.443 6.759
193 HA ARG 28 HA ARG 28 -0.505 15.609 8.245
194 HB2 ARG 28 HB1 ARG 28 0.798 13.534 8.064
195 HB3 ARG 28 HB2 ARG 28 2.114 14.279 8.961
196 HG2 ARG 28 HG1 ARG 28 1.006 14.159 10.961
197 HG3 ARG 28 HG2 ARG 28 -0.588 14.176 10.203
198 HD2 ARG 28 HD1 ARG 28 -0.668 11.955 10.209
199 HD3 ARG 28 HD2 ARG 28 0.872 11.858 9.357
200 HE ARG 28 HE ARG 28 0.422 11.409 12.135
201 HH11 ARG 28 HH11 ARG 28 2.751 12.590 9.833
202 HH12 ARG 28 HH12 ARG 28 4.118 12.226 10.833
203 HH21 ARG 28 HH21 ARG 28 2.214 10.925 13.461
204 HH22 ARG 28 HH22 ARG 28 3.812 11.278 12.896
205 H LEU 29 HN LEU 29 2.762 16.843 8.753
206 HA LEU 29 HA LEU 29 2.360 17.777 11.391
207 HB2 LEU 29 HB1 LEU 29 4.355 18.246 9.241
208 HB3 LEU 29 HB2 LEU 29 4.293 19.399 10.572
209 HG LEU 29 HG LEU 29 4.541 16.467 11.128
210 HD11 LEU 29 HD11 LEU 29 6.782 16.385 10.725
211 HD12 LEU 29 HD12 LEU 29 6.996 18.125 10.914
212 HD13 LEU 29 HD13 LEU 29 6.294 17.480 9.431
213 HD21 LEU 29 HD21 LEU 29 5.951 17.567 13.014
214 HD22 LEU 29 HD22 LEU 29 4.190 17.622 13.098
215 HD23 LEU 29 HD23 LEU 29 5.092 19.037 12.553
216 H ALA 30 HN ALA 30 1.806 19.196 8.227
217 HA ALA 30 HA ALA 30 1.419 21.861 8.998
218 HB1 ALA 30 HB1 ALA 30 1.473 20.615 6.633
219 HB2 ALA 30 HB2 ALA 30 -0.270 20.814 6.810
220 HB3 ALA 30 HB3 ALA 30 0.787 22.225 6.856
221 H ASN 31 HN ASN 31 -0.745 19.092 9.040
222 HA ASN 31 HA ASN 31 -3.025 20.715 9.802
223 HB2 ASN 31 HB1 ASN 31 -2.584 17.828 9.162
224 HB3 ASN 31 HB2 ASN 31 -4.001 18.278 10.107
225 HD21 ASN 31 HD21 ASN 31 -5.386 19.975 9.172
226 HD22 ASN 31 HD22 ASN 31 -5.591 20.004 7.457
227 H GLY 32 HN GLY 32 -0.683 18.574 11.290
228 HA2 GLY 32 HA1 GLY 32 -2.076 18.703 13.858
229 HA3 GLY 32 HA2 GLY 32 -0.668 17.719 13.490
230 H GLY 33 HN GLY 33 1.072 18.324 14.580
231 HA2 GLY 33 HA1 GLY 33 2.704 20.269 14.621
232 HA3 GLY 33 HA2 GLY 33 1.351 21.179 15.275
233 H ASN 34 HN ASN 34 3.114 18.143 15.899
234 HA ASN 34 HA ASN 34 3.445 18.934 18.678
235 HB2 ASN 34 HB1 ASN 34 2.558 16.793 19.532
236 HB3 ASN 34 HB2 ASN 34 1.316 17.744 18.724
237 HD21 ASN 34 HD21 ASN 34 3.117 14.832 18.740
238 HD22 ASN 34 HD22 ASN 34 2.344 14.083 17.389
239 H GLY 35 HN GLY 35 4.976 17.563 19.836
240 HA2 GLY 35 HA1 GLY 35 6.448 15.508 19.427
241 HA3 GLY 35 HA2 GLY 35 6.916 16.366 17.967
242 H PHE 36 HN PHE 36 8.158 15.542 20.738
243 HA PHE 36 HA PHE 36 9.189 18.128 21.586
244 HB2 PHE 36 HB1 PHE 36 8.600 16.620 23.363
245 HB3 PHE 36 HB2 PHE 36 9.571 15.330 22.661
246 HD1 PHE 36 HD1 PHE 36 10.066 18.878 23.720
247 HD2 PHE 36 HD2 PHE 36 11.539 14.885 23.733
248 HE1 PHE 36 HE1 PHE 36 11.989 19.596 25.076
249 HE2 PHE 36 HE2 PHE 36 13.464 15.596 25.090
250 HZ PHE 36 HZ PHE 36 13.691 17.954 25.764
251 H TRP 37 HN TRP 37 10.805 15.002 21.035
252 HA TRP 37 HA TRP 37 13.192 16.394 20.150
253 HB2 TRP 37 HB1 TRP 37 13.115 14.320 21.686
254 HB3 TRP 37 HB2 TRP 37 12.837 13.406 20.207
255 HD1 TRP 37 HD1 TRP 37 14.861 14.562 18.220
256 HE1 TRP 37 HE1 TRP 37 17.399 14.387 18.606
257 HE3 TRP 37 HE3 TRP 37 14.864 13.860 23.284
258 HZ2 TRP 37 HZ2 TRP 37 19.169 14.001 20.771
259 HZ3 TRP 37 HZ3 TRP 37 17.022 13.596 24.436
260 HH2 TRP 37 HH2 TRP 37 19.129 13.665 23.204
Start of MODEL 10
1 H1 LYS 1 HN LYS 1 0.817 4.698 4.179
2 HA LYS 1 HA LYS 1 1.050 3.428 6.142
3 HB2 LYS 1 HB1 LYS 1 -1.860 3.339 5.336
4 HB3 LYS 1 HB2 LYS 1 -1.278 2.933 6.945
5 HG2 LYS 1 HG1 LYS 1 -0.419 5.187 7.227
6 HG3 LYS 1 HG2 LYS 1 -0.939 5.603 5.592
7 HD2 LYS 1 HD1 LYS 1 -2.630 6.442 6.984
8 HD3 LYS 1 HD2 LYS 1 -3.283 4.927 6.355
9 HE2 LYS 1 HE1 LYS 1 -3.021 3.827 8.379
10 HE3 LYS 1 HE2 LYS 1 -1.795 4.958 8.949
11 HZ1 LYS 1 HZ1 LYS 1 -3.837 6.604 8.747
12 HZ2 LYS 1 HZ2 LYS 1 -3.549 5.698 10.146
13 HZ3 LYS 1 HZ3 LYS 1 -4.702 5.177 9.023
14 H TYR 2 HN TYR 2 1.648 1.770 3.835
15 HA TYR 2 HA TYR 2 1.265 -0.799 5.081
16 HB2 TYR 2 HB1 TYR 2 -0.771 -0.219 3.502
17 HB3 TYR 2 HB2 TYR 2 0.355 -0.694 2.235
18 HD1 TYR 2 HD1 TYR 2 -1.502 -1.861 5.194
19 HD2 TYR 2 HD2 TYR 2 0.971 -2.989 1.921
20 HE1 TYR 2 HE1 TYR 2 -2.051 -4.224 5.601
21 HE2 TYR 2 HE2 TYR 2 0.428 -5.354 2.318
22 HH TYR 2 HH TYR 2 -1.241 -6.406 5.152
23 H TYR 3 HN TYR 3 2.954 -2.105 4.684
24 HA TYR 3 HA TYR 3 5.100 -1.097 3.041
25 HB2 TYR 3 HB1 TYR 3 5.235 -2.323 5.350
26 HB3 TYR 3 HB2 TYR 3 5.155 -3.783 4.371
27 HD1 TYR 3 HD1 TYR 3 6.956 -4.273 2.736
28 HD2 TYR 3 HD2 TYR 3 7.219 -1.000 5.443
29 HE1 TYR 3 HE1 TYR 3 9.375 -4.128 2.317
30 HE2 TYR 3 HE2 TYR 3 9.639 -0.846 5.030
31 HH TYR 3 HH TYR 3 11.304 -3.190 2.967
32 H GLY 4 HN GLY 4 4.039 -1.263 0.972
33 HA2 GLY 4 HA1 GLY 4 3.336 -3.879 -0.036
34 HA3 GLY 4 HA2 GLY 4 3.311 -2.370 -0.936
35 H ASN 5 HN ASN 5 4.794 -2.140 -2.469
36 HA ASN 5 HA ASN 5 6.831 -4.128 -2.817
37 HB2 ASN 5 HB1 ASN 5 7.458 -2.661 -4.802
38 HB3 ASN 5 HB2 ASN 5 5.827 -3.326 -4.812
39 HD21 ASN 5 HD21 ASN 5 4.075 -1.948 -4.297
40 HD22 ASN 5 HD22 ASN 5 4.208 -0.237 -4.493
41 H GLY 6 HN GLY 6 7.975 -3.726 -0.790
42 HA2 GLY 6 HA1 GLY 6 9.692 -1.328 -0.895
43 HA3 GLY 6 HA2 GLY 6 9.294 -2.209 0.573
44 H VAL 7 HN VAL 7 9.694 -4.774 -1.024
45 HA VAL 7 HA VAL 7 12.370 -5.239 -0.228
46 HB VAL 7 HB VAL 7 12.138 -7.407 -1.412
47 HG11 VAL 7 HG11 VAL 7 10.793 -6.500 0.853
48 HG12 VAL 7 HG12 VAL 7 9.596 -7.434 -0.047
49 HG13 VAL 7 HG13 VAL 7 11.129 -8.174 0.416
50 HG21 VAL 7 HG21 VAL 7 10.827 -7.266 -3.247
51 HG22 VAL 7 HG22 VAL 7 9.554 -7.699 -2.106
52 HG23 VAL 7 HG23 VAL 7 9.801 -6.011 -2.552
53 H HIS 8 HN HIS 8 10.865 -4.592 -3.358
54 HA HIS 8 HA HIS 8 13.254 -4.972 -4.871
55 HB2 HIS 8 HB1 HIS 8 10.854 -5.096 -5.730
56 HB3 HIS 8 HB2 HIS 8 10.868 -3.335 -5.723
57 HD1 HIS 8 HD1 HIS 8 10.404 -4.261 -8.395
58 HD2 HIS 8 HD2 HIS 8 14.269 -4.183 -6.875
59 HE1 HIS 8 HE1 HIS 8 11.916 -4.253 -10.405
60 H LEU 9 HN LEU 9 11.759 -2.263 -3.248
61 HA LEU 9 HA LEU 9 13.176 -0.176 -4.486
62 HB2 LEU 9 HB1 LEU 9 11.339 0.485 -3.227
63 HB3 LEU 9 HB2 LEU 9 11.814 -0.496 -1.843
64 HG LEU 9 HG LEU 9 13.582 1.771 -2.586
65 HD11 LEU 9 HD11 LEU 9 11.298 2.696 -2.777
66 HD12 LEU 9 HD12 LEU 9 12.214 3.386 -1.438
67 HD13 LEU 9 HD13 LEU 9 10.976 2.170 -1.125
68 HD21 LEU 9 HD21 LEU 9 14.453 1.093 -0.657
69 HD22 LEU 9 HD22 LEU 9 13.084 0.025 -0.343
70 HD23 LEU 9 HD23 LEU 9 13.010 1.721 0.141
71 H THR 10 HN THR 10 14.118 -2.520 -2.137
72 HA THR 10 HA THR 10 16.295 -1.113 -0.984
73 HB THR 10 HB THR 10 15.992 -4.110 -1.236
74 HG1 THR 10 HG1 THR 10 15.238 -2.637 1.046
75 HG21 THR 10 HG21 THR 10 17.781 -4.299 0.095
76 HG22 THR 10 HG22 THR 10 17.200 -3.037 1.182
77 HG23 THR 10 HG23 THR 10 18.104 -2.605 -0.269
78 H LYS 11 HN LYS 11 16.334 -3.832 -3.299
79 HA LYS 11 HA LYS 11 19.061 -3.464 -3.984
80 HB2 LYS 11 HB1 LYS 11 17.198 -5.444 -4.381
81 HB3 LYS 11 HB2 LYS 11 17.392 -4.789 -6.001
82 HG2 LYS 11 HG1 LYS 11 19.916 -5.040 -5.570
83 HG3 LYS 11 HG2 LYS 11 19.429 -6.100 -4.245
84 HD2 LYS 11 HD1 LYS 11 18.245 -7.541 -5.779
85 HD3 LYS 11 HD2 LYS 11 18.572 -6.440 -7.119
86 HE2 LYS 11 HE1 LYS 11 20.967 -6.855 -6.879
87 HE3 LYS 11 HE2 LYS 11 20.650 -7.936 -5.523
88 HZ1 LYS 11 HZ1 LYS 11 19.344 -8.470 -8.096
89 HZ2 LYS 11 HZ2 LYS 11 19.815 -9.553 -6.885
90 HZ3 LYS 11 HZ3 LYS 11 20.976 -8.876 -7.914
91 H SER 12 HN SER 12 16.081 -2.140 -5.188
92 HA SER 12 HA SER 12 16.972 -1.274 -7.717
93 HB2 SER 12 HB1 SER 12 14.733 -0.476 -5.891
94 HB3 SER 12 HB2 SER 12 15.083 0.505 -7.314
95 HG SER 12 HG SER 12 13.652 -0.997 -8.003
96 H GLY 13 HN GLY 13 16.665 0.531 -4.653
97 HA2 GLY 13 HA1 GLY 13 19.103 1.919 -4.991
98 HA3 GLY 13 HA2 GLY 13 17.777 2.931 -5.543
99 H LEU 14 HN LEU 14 18.438 0.778 -2.775
100 HA LEU 14 HA LEU 14 16.772 2.049 -0.953
101 HB2 LEU 14 HB1 LEU 14 17.833 0.818 0.716
102 HB3 LEU 14 HB2 LEU 14 18.013 -0.165 -0.735
103 HG LEU 14 HG LEU 14 20.181 1.637 0.331
104 HD11 LEU 14 HD11 LEU 14 19.272 -0.957 1.266
105 HD12 LEU 14 HD12 LEU 14 20.419 0.170 1.989
106 HD13 LEU 14 HD13 LEU 14 20.961 -0.972 0.760
107 HD21 LEU 14 HD21 LEU 14 20.173 -0.611 -1.681
108 HD22 LEU 14 HD22 LEU 14 21.612 0.224 -1.094
109 HD23 LEU 14 HD23 LEU 14 20.397 1.106 -2.020
110 H SER 15 HN SER 15 19.885 2.978 -2.145
111 HA SER 15 HA SER 15 20.572 4.760 -0.031
112 HB2 SER 15 HB1 SER 15 22.078 3.710 -1.893
113 HB3 SER 15 HB2 SER 15 21.571 5.108 -2.841
114 HG SER 15 HG SER 15 23.562 5.217 -1.414
115 H VAL 16 HN VAL 16 19.350 5.328 -3.332
116 HA VAL 16 HA VAL 16 18.934 8.110 -2.936
117 HB VAL 16 HB VAL 16 19.230 7.096 -5.173
118 HG11 VAL 16 HG11 VAL 16 17.292 5.991 -6.238
119 HG12 VAL 16 HG12 VAL 16 17.953 5.066 -4.889
120 HG13 VAL 16 HG13 VAL 16 16.467 5.993 -4.680
121 HG21 VAL 16 HG21 VAL 16 16.562 8.477 -4.971
122 HG22 VAL 16 HG22 VAL 16 18.103 9.314 -4.784
123 HG23 VAL 16 HG23 VAL 16 17.708 8.525 -6.311
124 H ASN 17 HN ASN 17 16.988 5.267 -2.400
125 HA ASN 17 HA ASN 17 14.489 6.626 -2.177
126 HB2 ASN 17 HB1 ASN 17 15.458 3.883 -1.411
127 HB3 ASN 17 HB2 ASN 17 13.848 4.435 -0.959
128 HD21 ASN 17 HD21 ASN 17 12.570 5.376 -2.818
129 HD22 ASN 17 HD22 ASN 17 12.649 4.520 -4.317
130 H TRP 18 HN TRP 18 17.135 5.996 -0.030
131 HA TRP 18 HA TRP 18 15.760 6.335 2.424
132 HB2 TRP 18 HB1 TRP 18 17.937 5.265 2.368
133 HB3 TRP 18 HB2 TRP 18 18.676 6.728 1.723
134 HD1 TRP 18 HD1 TRP 18 19.756 8.271 3.459
135 HE1 TRP 18 HE1 TRP 18 19.636 8.532 6.017
136 HE3 TRP 18 HE3 TRP 18 16.052 4.889 4.447
137 HZ2 TRP 18 HZ2 TRP 18 18.166 7.447 8.168
138 HZ3 TRP 18 HZ3 TRP 18 15.348 4.559 6.782
139 HH2 TRP 18 HH2 TRP 18 16.384 5.813 8.602
140 H GLY 19 HN GLY 19 17.762 8.578 0.504
141 HA2 GLY 19 HA1 GLY 19 17.452 10.822 2.142
142 HA3 GLY 19 HA2 GLY 19 17.801 10.870 0.420
143 H GLU 20 HN GLU 20 15.449 9.684 -0.550
144 HA GLU 20 HA GLU 20 13.739 11.919 -0.653
145 HB2 GLU 20 HB1 GLU 20 13.418 9.052 -1.514
146 HB3 GLU 20 HB2 GLU 20 12.127 10.227 -1.719
147 HG2 GLU 20 HG1 GLU 20 14.898 10.536 -2.846
148 HG3 GLU 20 HG2 GLU 20 13.521 9.892 -3.737
149 H ALA 21 HN ALA 21 13.633 8.940 1.226
150 HA ALA 21 HA ALA 21 11.034 9.315 2.291
151 HB1 ALA 21 HB1 ALA 21 12.957 7.841 3.955
152 HB2 ALA 21 HB2 ALA 21 11.377 7.355 3.338
153 HB3 ALA 21 HB3 ALA 21 12.798 7.262 2.296
154 H PHE 22 HN PHE 22 14.237 10.351 3.300
155 HA PHE 22 HA PHE 22 13.519 11.222 5.896
156 HB2 PHE 22 HB1 PHE 22 15.867 10.795 4.968
157 HB3 PHE 22 HB2 PHE 22 15.749 12.394 4.242
158 HD1 PHE 22 HD2 PHE 22 14.677 11.117 7.574
159 HD2 PHE 22 HD1 PHE 22 17.172 13.789 5.394
160 HE1 PHE 22 HE2 PHE 22 15.435 12.125 9.686
161 HE2 PHE 22 HE1 PHE 22 17.935 14.802 7.503
162 HZ PHE 22 HZ PHE 22 17.066 13.971 9.652
163 H SER 23 HN SER 23 14.027 13.039 2.873
164 HA SER 23 HA SER 23 13.339 15.558 3.820
165 HB2 SER 23 HB1 SER 23 14.303 15.548 1.691
166 HB3 SER 23 HB2 SER 23 13.222 14.285 1.101
167 HG SER 23 HG SER 23 12.833 17.024 1.274
168 H ALA 24 HN ALA 24 11.282 12.988 2.535
169 HA ALA 24 HA ALA 24 8.872 14.400 2.418
170 HB1 ALA 24 HB1 ALA 24 9.719 11.709 2.109
171 HB2 ALA 24 HB2 ALA 24 8.317 11.724 3.180
172 HB3 ALA 24 HB3 ALA 24 8.211 12.457 1.580
173 H GLY 25 HN GLY 25 10.574 12.980 5.117
174 HA2 GLY 25 HA1 GLY 25 8.352 13.062 6.929
175 HA3 GLY 25 HA2 GLY 25 10.037 12.803 7.356
176 H VAL 26 HN VAL 26 11.122 15.171 6.287
177 HA VAL 26 HA VAL 26 10.833 16.936 8.414
178 HB VAL 26 HB VAL 26 11.733 17.612 5.610
179 HG11 VAL 26 HG11 VAL 26 11.658 19.695 6.462
180 HG12 VAL 26 HG12 VAL 26 11.635 19.125 8.132
181 HG13 VAL 26 HG13 VAL 26 13.160 19.214 7.250
182 HG21 VAL 26 HG21 VAL 26 12.890 15.918 7.589
183 HG22 VAL 26 HG22 VAL 26 13.521 16.354 6.002
184 HG23 VAL 26 HG23 VAL 26 13.901 17.351 7.406
185 H HIS 27 HN HIS 27 9.187 16.857 5.296
186 HA HIS 27 HA HIS 27 7.891 19.352 5.505
187 HB2 HIS 27 HB1 HIS 27 8.083 18.112 3.387
188 HB3 HIS 27 HB2 HIS 27 7.006 16.869 4.017
189 HD1 HIS 27 HD1 HIS 27 5.438 17.430 1.963
190 HD2 HIS 27 HD2 HIS 27 5.879 20.480 4.750
191 HE1 HIS 27 HE1 HIS 27 3.580 19.055 1.481
192 H ARG 28 HN ARG 28 6.986 16.106 6.556
193 HA ARG 28 HA ARG 28 4.350 16.782 7.366
194 HB2 ARG 28 HB1 ARG 28 5.207 14.460 6.886
195 HB3 ARG 28 HB2 ARG 28 6.050 14.524 8.427
196 HG2 ARG 28 HG1 ARG 28 3.987 14.679 9.626
197 HG3 ARG 28 HG2 ARG 28 3.075 14.850 8.125
198 HD2 ARG 28 HD1 ARG 28 2.755 12.625 8.513
199 HD3 ARG 28 HD2 ARG 28 4.241 12.548 7.568
200 HE ARG 28 HE ARG 28 5.291 11.705 9.405
201 HH11 ARG 28 HH11 ARG 28 2.427 13.390 10.444
202 HH12 ARG 28 HH12 ARG 28 2.601 12.929 12.105
203 HH21 ARG 28 HH21 ARG 28 5.531 11.093 11.589
204 HH22 ARG 28 HH22 ARG 28 4.367 11.624 12.756
205 H LEU 29 HN LEU 29 7.459 16.657 9.033
206 HA LEU 29 HA LEU 29 6.487 17.080 11.642
207 HB2 LEU 29 HB1 LEU 29 9.112 17.364 10.279
208 HB3 LEU 29 HB2 LEU 29 8.911 18.128 11.854
209 HG LEU 29 HG LEU 29 8.360 15.206 11.396
210 HD11 LEU 29 HD11 LEU 29 10.926 16.348 12.469
211 HD12 LEU 29 HD12 LEU 29 10.718 15.873 10.784
212 HD13 LEU 29 HD13 LEU 29 10.560 14.671 12.064
213 HD21 LEU 29 HD21 LEU 29 7.382 15.882 13.402
214 HD22 LEU 29 HD22 LEU 29 8.704 16.984 13.787
215 HD23 LEU 29 HD23 LEU 29 8.949 15.240 13.894
216 H ALA 30 HN ALA 30 7.454 19.303 9.079
217 HA ALA 30 HA ALA 30 7.418 21.684 10.550
218 HB1 ALA 30 HB1 ALA 30 8.051 21.077 8.017
219 HB2 ALA 30 HB2 ALA 30 6.469 21.811 7.756
220 HB3 ALA 30 HB3 ALA 30 7.741 22.723 8.568
221 H ASN 31 HN ASN 31 4.827 19.821 9.095
222 HA ASN 31 HA ASN 31 2.853 21.880 9.605
223 HB2 ASN 31 HB1 ASN 31 2.825 19.174 8.327
224 HB3 ASN 31 HB2 ASN 31 1.306 19.871 8.883
225 HD21 ASN 31 HD21 ASN 31 2.390 19.281 6.176
226 HD22 ASN 31 HD22 ASN 31 2.243 20.765 5.305
227 H GLY 32 HN GLY 32 2.923 18.423 10.492
228 HA2 GLY 32 HA1 GLY 32 1.150 18.734 12.667
229 HA3 GLY 32 HA2 GLY 32 2.179 17.340 12.375
230 H GLY 33 HN GLY 33 3.911 17.015 13.653
231 HA2 GLY 33 HA1 GLY 33 5.691 18.601 14.816
232 HA3 GLY 33 HA2 GLY 33 4.298 18.902 15.845
233 H ASN 34 HN ASN 34 3.460 17.188 17.121
234 HA ASN 34 HA ASN 34 5.512 15.252 17.856
235 HB2 ASN 34 HB1 ASN 34 4.371 16.680 19.582
236 HB3 ASN 34 HB2 ASN 34 2.881 15.806 19.238
237 HD21 ASN 34 HD21 ASN 34 2.536 14.633 21.000
238 HD22 ASN 34 HD22 ASN 34 3.666 13.534 21.707
239 H GLY 35 HN GLY 35 2.194 15.377 16.673
240 HA2 GLY 35 HA1 GLY 35 1.276 13.729 15.238
241 HA3 GLY 35 HA2 GLY 35 2.452 12.576 15.852
242 H PHE 36 HN PHE 36 0.197 14.681 17.608
243 HA PHE 36 HA PHE 36 -0.749 12.342 19.076
244 HB2 PHE 36 HB1 PHE 36 -1.660 13.896 20.675
245 HB3 PHE 36 HB2 PHE 36 -0.018 14.403 20.292
246 HD1 PHE 36 HD1 PHE 36 0.380 16.393 18.925
247 HD2 PHE 36 HD2 PHE 36 -3.546 15.241 20.097
248 HE1 PHE 36 HE1 PHE 36 -0.448 18.637 18.345
249 HE2 PHE 36 HE2 PHE 36 -4.381 17.482 19.518
250 HZ PHE 36 HZ PHE 36 -2.832 19.183 18.640
251 H TRP 37 HN TRP 37 -1.848 14.753 16.806
252 HA TRP 37 HA TRP 37 -4.613 13.848 17.018
253 HB2 TRP 37 HB1 TRP 37 -3.892 16.304 16.758
254 HB3 TRP 37 HB2 TRP 37 -3.574 15.901 15.073
255 HD1 TRP 37 HD1 TRP 37 -6.417 16.518 17.520
256 HE1 TRP 37 HE1 TRP 37 -8.631 16.655 16.215
257 HE3 TRP 37 HE3 TRP 37 -4.748 15.005 12.931
258 HZ2 TRP 37 HZ2 TRP 37 -9.549 16.182 13.588
259 HZ3 TRP 37 HZ3 TRP 37 -6.358 14.873 11.075
260 HH2 TRP 37 HH2 TRP 37 -8.709 15.450 11.399
Start of MODEL 11
1 H1 LYS 1 HN LYS 1 2.531 -4.248 -2.204
2 HA LYS 1 HA LYS 1 3.906 -1.860 -3.081
3 HB2 LYS 1 HB1 LYS 1 1.718 -2.607 -4.040
4 HB3 LYS 1 HB2 LYS 1 0.966 -2.243 -2.493
5 HG2 LYS 1 HG1 LYS 1 0.575 -0.424 -3.999
6 HG3 LYS 1 HG2 LYS 1 1.691 0.109 -2.740
7 HD2 LYS 1 HD1 LYS 1 3.476 0.224 -4.182
8 HD3 LYS 1 HD2 LYS 1 2.810 -0.993 -5.273
9 HE2 LYS 1 HE1 LYS 1 1.479 1.671 -4.947
10 HE3 LYS 1 HE2 LYS 1 2.858 1.480 -6.028
11 HZ1 LYS 1 HZ1 LYS 1 1.524 0.628 -7.554
12 HZ2 LYS 1 HZ2 LYS 1 0.191 0.882 -6.545
13 HZ3 LYS 1 HZ3 LYS 1 1.017 -0.594 -6.499
14 H TYR 2 HN TYR 2 5.064 -1.027 -1.390
15 HA TYR 2 HA TYR 2 5.508 0.033 0.576
16 HB2 TYR 2 HB1 TYR 2 2.704 0.937 -0.035
17 HB3 TYR 2 HB2 TYR 2 3.549 1.504 1.402
18 HD1 TYR 2 HD2 TYR 2 5.464 2.995 1.213
19 HD2 TYR 2 HD1 TYR 2 3.397 1.642 -2.251
20 HE1 TYR 2 HE2 TYR 2 6.567 4.742 -0.121
21 HE2 TYR 2 HE1 TYR 2 4.496 3.385 -3.595
22 HH TYR 2 HH TYR 2 6.491 4.775 -3.530
23 H TYR 3 HN TYR 3 4.847 -2.655 0.879
24 HA TYR 3 HA TYR 3 2.976 -2.898 3.075
25 HB2 TYR 3 HB1 TYR 3 3.209 -4.656 1.315
26 HB3 TYR 3 HB2 TYR 3 4.826 -4.994 1.921
27 HD1 TYR 3 HD2 TYR 3 1.233 -5.261 2.625
28 HD2 TYR 3 HD1 TYR 3 5.154 -6.188 3.994
29 HE1 TYR 3 HE2 TYR 3 0.284 -6.835 4.259
30 HE2 TYR 3 HE1 TYR 3 4.215 -7.766 5.631
31 HH TYR 3 HH TYR 3 2.376 -8.758 6.387
32 H GLY 4 HN GLY 4 6.460 -2.930 2.567
33 HA2 GLY 4 HA1 GLY 4 7.401 -1.885 4.807
34 HA3 GLY 4 HA2 GLY 4 6.939 -3.475 5.396
35 H ASN 5 HN ASN 5 7.816 -5.329 3.993
36 HA ASN 5 HA ASN 5 10.661 -5.082 3.957
37 HB2 ASN 5 HB1 ASN 5 8.750 -7.300 3.252
38 HB3 ASN 5 HB2 ASN 5 10.483 -7.462 2.986
39 HD21 ASN 5 HD21 ASN 5 8.056 -8.090 5.087
40 HD22 ASN 5 HD22 ASN 5 8.961 -8.223 6.552
41 H GLY 6 HN GLY 6 10.900 -3.379 2.379
42 HA2 GLY 6 HA1 GLY 6 10.286 -4.097 -0.392
43 HA3 GLY 6 HA2 GLY 6 10.815 -2.521 0.177
44 H VAL 7 HN VAL 7 11.884 -5.817 -0.492
45 HA VAL 7 HA VAL 7 14.649 -5.337 -0.134
46 HB VAL 7 HB VAL 7 14.981 -7.411 -1.454
47 HG11 VAL 7 HG11 VAL 7 12.753 -8.094 0.372
48 HG12 VAL 7 HG12 VAL 7 14.394 -8.740 0.289
49 HG13 VAL 7 HG13 VAL 7 14.097 -7.179 1.055
50 HG21 VAL 7 HG21 VAL 7 13.249 -7.261 -3.079
51 HG22 VAL 7 HG22 VAL 7 12.908 -8.681 -2.091
52 HG23 VAL 7 HG23 VAL 7 12.001 -7.191 -1.835
53 H HIS 8 HN HIS 8 12.519 -5.151 -2.946
54 HA HIS 8 HA HIS 8 14.611 -4.626 -4.814
55 HB2 HIS 8 HB1 HIS 8 11.615 -4.418 -4.900
56 HB3 HIS 8 HB2 HIS 8 12.595 -3.794 -6.224
57 HD1 HIS 8 HD1 HIS 8 11.204 -6.896 -4.837
58 HD2 HIS 8 HD2 HIS 8 14.119 -5.823 -7.596
59 HE1 HIS 8 HE1 HIS 8 11.690 -8.986 -6.148
60 H LEU 9 HN LEU 9 12.575 -2.662 -2.764
61 HA LEU 9 HA LEU 9 12.986 -0.173 -4.004
62 HB2 LEU 9 HB1 LEU 9 11.259 -0.226 -2.455
63 HB3 LEU 9 HB2 LEU 9 12.245 -1.035 -1.239
64 HG LEU 9 HG LEU 9 13.015 1.727 -2.009
65 HD11 LEU 9 HD11 LEU 9 10.891 2.429 -1.719
66 HD12 LEU 9 HD12 LEU 9 11.311 2.284 -0.013
67 HD13 LEU 9 HD13 LEU 9 10.420 0.990 -0.814
68 HD21 LEU 9 HD21 LEU 9 14.356 1.304 -0.286
69 HD22 LEU 9 HD22 LEU 9 13.471 -0.165 0.127
70 HD23 LEU 9 HD23 LEU 9 12.932 1.395 0.751
71 H THR 10 HN THR 10 15.038 -2.131 -2.055
72 HA THR 10 HA THR 10 16.759 -0.105 -1.065
73 HB THR 10 HB THR 10 17.594 -2.949 -1.614
74 HG1 THR 10 HG1 THR 10 16.127 -3.544 -0.222
75 HG21 THR 10 HG21 THR 10 19.248 -2.616 -0.054
76 HG22 THR 10 HG22 THR 10 18.341 -1.368 0.801
77 HG23 THR 10 HG23 THR 10 19.129 -0.993 -0.732
78 H LYS 11 HN LYS 11 17.348 -2.508 -3.640
79 HA LYS 11 HA LYS 11 19.624 -1.137 -4.648
80 HB2 LYS 11 HB1 LYS 11 17.919 -3.394 -5.665
81 HB3 LYS 11 HB2 LYS 11 19.189 -2.702 -6.667
82 HG2 LYS 11 HG1 LYS 11 20.122 -3.331 -3.995
83 HG3 LYS 11 HG2 LYS 11 19.471 -4.741 -4.833
84 HD2 LYS 11 HD1 LYS 11 21.302 -2.950 -6.341
85 HD3 LYS 11 HD2 LYS 11 22.003 -3.988 -5.098
86 HE2 LYS 11 HE1 LYS 11 20.788 -5.910 -6.197
87 HE3 LYS 11 HE2 LYS 11 20.425 -4.810 -7.526
88 HZ1 LYS 11 HZ1 LYS 11 23.185 -4.731 -6.872
89 HZ2 LYS 11 HZ2 LYS 11 22.448 -5.100 -8.349
90 HZ3 LYS 11 HZ3 LYS 11 22.704 -6.319 -7.204
91 H SER 12 HN SER 12 16.214 -0.953 -5.286
92 HA SER 12 HA SER 12 16.301 0.262 -7.826
93 HB2 SER 12 HB1 SER 12 14.221 -0.646 -7.056
94 HB3 SER 12 HB2 SER 12 14.239 0.374 -5.617
95 HG SER 12 HG SER 12 13.235 1.807 -6.759
96 H GLY 13 HN GLY 13 16.888 1.477 -4.640
97 HA2 GLY 13 HA1 GLY 13 18.273 3.679 -5.099
98 HA3 GLY 13 HA2 GLY 13 16.666 4.259 -5.509
99 H LEU 14 HN LEU 14 18.135 2.330 -2.890
100 HA LEU 14 HA LEU 14 16.330 3.035 -0.902
101 HB2 LEU 14 HB1 LEU 14 17.807 2.099 0.624
102 HB3 LEU 14 HB2 LEU 14 18.180 1.268 -0.885
103 HG LEU 14 HG LEU 14 19.778 3.580 0.208
104 HD11 LEU 14 HD11 LEU 14 20.047 1.835 1.777
105 HD12 LEU 14 HD12 LEU 14 21.458 1.768 0.721
106 HD13 LEU 14 HD13 LEU 14 20.143 0.611 0.511
107 HD21 LEU 14 HD21 LEU 14 19.906 1.881 -2.209
108 HD22 LEU 14 HD22 LEU 14 21.436 2.248 -1.412
109 HD23 LEU 14 HD23 LEU 14 20.396 3.558 -1.971
110 H SER 15 HN SER 15 18.954 4.835 -2.264
111 HA SER 15 HA SER 15 19.275 6.692 -0.129
112 HB2 SER 15 HB1 SER 15 20.073 6.722 -3.036
113 HB3 SER 15 HB2 SER 15 20.386 8.091 -1.970
114 HG SER 15 HG SER 15 21.750 5.795 -2.205
115 H VAL 16 HN VAL 16 17.632 6.906 -3.282
116 HA VAL 16 HA VAL 16 16.515 9.471 -2.786
117 HB VAL 16 HB VAL 16 16.832 8.597 -5.063
118 HG11 VAL 16 HG11 VAL 16 16.318 6.292 -4.823
119 HG12 VAL 16 HG12 VAL 16 14.691 6.647 -4.239
120 HG13 VAL 16 HG13 VAL 16 15.115 6.967 -5.921
121 HG21 VAL 16 HG21 VAL 16 13.887 9.008 -4.697
122 HG22 VAL 16 HG22 VAL 16 15.029 10.311 -4.366
123 HG23 VAL 16 HG23 VAL 16 14.944 9.601 -5.979
124 H ASN 17 HN ASN 17 15.557 6.241 -1.987
125 HA ASN 17 HA ASN 17 12.789 6.730 -1.594
126 HB2 ASN 17 HB1 ASN 17 13.504 4.464 -1.868
127 HB3 ASN 17 HB2 ASN 17 14.646 4.597 -0.534
128 HD21 ASN 17 HD21 ASN 17 14.016 3.717 1.288
129 HD22 ASN 17 HD22 ASN 17 12.382 3.477 1.795
130 H TRP 18 HN TRP 18 15.524 6.535 0.677
131 HA TRP 18 HA TRP 18 14.135 7.072 3.021
132 HB2 TRP 18 HB1 TRP 18 16.550 6.360 2.807
133 HB3 TRP 18 HB2 TRP 18 16.936 8.036 2.423
134 HD1 TRP 18 HD1 TRP 18 17.915 9.197 4.469
135 HE1 TRP 18 HE1 TRP 18 17.486 9.158 7.007
136 HE3 TRP 18 HE3 TRP 18 14.208 5.680 4.613
137 HZ2 TRP 18 HZ2 TRP 18 15.801 7.814 8.828
138 HZ3 TRP 18 HZ3 TRP 18 13.241 5.073 6.793
139 HH2 TRP 18 HH2 TRP 18 14.023 6.119 8.856
140 H GLY 19 HN GLY 19 15.672 9.349 0.762
141 HA2 GLY 19 HA1 GLY 19 15.137 11.702 2.181
142 HA3 GLY 19 HA2 GLY 19 15.365 11.600 0.441
143 H GLU 20 HN GLU 20 13.221 10.134 -0.377
144 HA GLU 20 HA GLU 20 11.158 12.051 -0.403
145 HB2 GLU 20 HB1 GLU 20 11.501 9.276 -1.415
146 HB3 GLU 20 HB2 GLU 20 9.856 9.883 -1.277
147 HG2 GLU 20 HG1 GLU 20 11.919 11.533 -2.656
148 HG3 GLU 20 HG2 GLU 20 11.187 10.167 -3.494
149 H ALA 21 HN ALA 21 11.499 8.976 1.329
150 HA ALA 21 HA ALA 21 8.954 8.997 2.541
151 HB1 ALA 21 HB1 ALA 21 10.959 7.705 4.172
152 HB2 ALA 21 HB2 ALA 21 9.593 7.007 3.301
153 HB3 ALA 21 HB3 ALA 21 11.127 7.269 2.472
154 H PHE 22 HN PHE 22 12.074 10.313 3.532
155 HA PHE 22 HA PHE 22 11.453 10.981 6.168
156 HB2 PHE 22 HB1 PHE 22 13.710 11.108 4.891
157 HB3 PHE 22 HB2 PHE 22 13.192 12.733 4.454
158 HD1 PHE 22 HD1 PHE 22 13.950 10.517 7.314
159 HD2 PHE 22 HD2 PHE 22 13.374 14.515 5.971
160 HE1 PHE 22 HE1 PHE 22 14.791 11.358 9.468
161 HE2 PHE 22 HE2 PHE 22 14.216 15.362 8.122
162 HZ PHE 22 HZ PHE 22 14.926 13.784 9.874
163 H SER 23 HN SER 23 11.225 13.005 3.244
164 HA SER 23 HA SER 23 10.184 15.289 4.439
165 HB2 SER 23 HB1 SER 23 9.404 15.920 2.216
166 HB3 SER 23 HB2 SER 23 10.998 15.176 2.099
167 HG SER 23 HG SER 23 9.841 14.173 0.559
168 H ALA 24 HN ALA 24 8.478 12.496 3.065
169 HA ALA 24 HA ALA 24 5.865 13.393 3.387
170 HB1 ALA 24 HB1 ALA 24 7.122 11.002 2.629
171 HB2 ALA 24 HB2 ALA 24 6.012 10.582 3.934
172 HB3 ALA 24 HB3 ALA 24 5.411 11.411 2.498
173 H GLY 25 HN GLY 25 8.116 12.101 5.727
174 HA2 GLY 25 HA1 GLY 25 6.195 11.554 7.764
175 HA3 GLY 25 HA2 GLY 25 7.932 11.701 7.988
176 H VAL 26 HN VAL 26 8.204 14.352 6.987
177 HA VAL 26 HA VAL 26 7.731 15.829 9.324
178 HB VAL 26 HB VAL 26 8.212 16.917 6.547
179 HG11 VAL 26 HG11 VAL 26 7.818 18.861 7.594
180 HG12 VAL 26 HG12 VAL 26 7.971 18.141 9.198
181 HG13 VAL 26 HG13 VAL 26 9.414 18.618 8.303
182 HG21 VAL 26 HG21 VAL 26 9.879 15.317 8.174
183 HG22 VAL 26 HG22 VAL 26 10.287 16.135 6.666
184 HG23 VAL 26 HG23 VAL 26 10.529 16.956 8.208
185 H HIS 27 HN HIS 27 5.872 15.482 6.364
186 HA HIS 27 HA HIS 27 4.076 17.612 6.770
187 HB2 HIS 27 HB1 HIS 27 4.422 16.267 4.641
188 HB3 HIS 27 HB2 HIS 27 3.414 15.020 5.371
189 HD1 HIS 27 HD1 HIS 27 0.940 16.008 6.157
190 HD2 HIS 27 HD2 HIS 27 3.010 18.057 3.194
191 HE1 HIS 27 HE1 HIS 27 -0.784 17.409 4.980
192 H ARG 28 HN ARG 28 3.954 14.206 7.732
193 HA ARG 28 HA ARG 28 1.356 14.309 8.855
194 HB2 ARG 28 HB1 ARG 28 3.676 12.423 9.095
195 HB3 ARG 28 HB2 ARG 28 2.277 12.236 10.144
196 HG2 ARG 28 HG1 ARG 28 0.833 12.023 8.183
197 HG3 ARG 28 HG2 ARG 28 2.240 12.205 7.133
198 HD2 ARG 28 HD1 ARG 28 3.225 10.189 8.195
199 HD3 ARG 28 HD2 ARG 28 1.731 9.986 9.111
200 HE ARG 28 HE ARG 28 0.859 10.063 6.563
201 HH11 ARG 28 HH11 ARG 28 3.354 8.230 8.154
202 HH12 ARG 28 HH12 ARG 28 3.199 6.860 7.104
203 HH21 ARG 28 HH21 ARG 28 0.645 8.266 5.174
204 HH22 ARG 28 HH22 ARG 28 1.659 6.883 5.408
205 H LEU 29 HN LEU 29 4.578 14.865 10.159
206 HA LEU 29 HA LEU 29 3.917 14.941 12.882
207 HB2 LEU 29 HB1 LEU 29 6.118 16.051 11.215
208 HB3 LEU 29 HB2 LEU 29 5.950 16.620 12.874
209 HG LEU 29 HG LEU 29 6.118 13.689 12.268
210 HD11 LEU 29 HD11 LEU 29 8.394 15.644 12.506
211 HD12 LEU 29 HD12 LEU 29 8.050 14.540 11.175
212 HD13 LEU 29 HD13 LEU 29 8.571 13.904 12.735
213 HD21 LEU 29 HD21 LEU 29 5.627 15.066 14.566
214 HD22 LEU 29 HD22 LEU 29 7.375 14.845 14.649
215 HD23 LEU 29 HD23 LEU 29 6.315 13.444 14.488
216 H ALA 30 HN ALA 30 4.077 17.550 10.475
217 HA ALA 30 HA ALA 30 3.404 19.662 12.191
218 HB1 ALA 30 HB1 ALA 30 4.142 19.504 9.604
219 HB2 ALA 30 HB2 ALA 30 2.423 19.853 9.421
220 HB3 ALA 30 HB3 ALA 30 3.452 20.950 10.342
221 H ASN 31 HN ASN 31 1.360 17.555 10.199
222 HA ASN 31 HA ASN 31 -1.048 18.820 11.230
223 HB2 ASN 31 HB1 ASN 31 -0.822 18.130 8.822
224 HB3 ASN 31 HB2 ASN 31 -0.831 16.453 9.361
225 HD21 ASN 31 HD21 ASN 31 -2.700 19.315 8.866
226 HD22 ASN 31 HD22 ASN 31 -4.251 18.602 9.131
227 H GLY 32 HN GLY 32 -0.322 18.074 13.453
228 HA2 GLY 32 HA1 GLY 32 -1.975 15.940 14.289
229 HA3 GLY 32 HA2 GLY 32 -0.305 15.396 14.235
230 H GLY 33 HN GLY 33 1.272 16.951 15.360
231 HA2 GLY 33 HA1 GLY 33 1.706 18.462 17.139
232 HA3 GLY 33 HA2 GLY 33 0.046 18.260 17.680
233 H ASN 34 HN ASN 34 2.019 15.513 16.843
234 HA ASN 34 HA ASN 34 1.785 14.541 19.572
235 HB2 ASN 34 HB1 ASN 34 2.405 13.328 16.921
236 HB3 ASN 34 HB2 ASN 34 3.039 12.526 18.355
237 HD21 ASN 34 HD21 ASN 34 1.678 11.440 19.691
238 HD22 ASN 34 HD22 ASN 34 -0.002 11.203 19.361
239 H GLY 35 HN GLY 35 3.319 16.385 20.170
240 HA2 GLY 35 HA1 GLY 35 5.497 15.908 21.389
241 HA3 GLY 35 HA2 GLY 35 6.120 15.537 19.789
242 H PHE 36 HN PHE 36 6.103 17.289 18.190
243 HA PHE 36 HA PHE 36 6.832 19.805 19.475
244 HB2 PHE 36 HB1 PHE 36 7.335 18.616 16.762
245 HB3 PHE 36 HB2 PHE 36 7.567 20.339 17.040
246 HD1 PHE 36 HD1 PHE 36 8.979 20.848 19.262
247 HD2 PHE 36 HD2 PHE 36 9.177 17.275 16.958
248 HE1 PHE 36 HE1 PHE 36 11.228 20.402 20.153
249 HE2 PHE 36 HE2 PHE 36 11.426 16.823 17.846
250 HZ PHE 36 HZ PHE 36 12.455 18.387 19.446
251 H TRP 37 HN TRP 37 5.535 21.512 19.495
252 HA TRP 37 HA TRP 37 3.807 22.923 19.056
253 HB2 TRP 37 HB1 TRP 37 5.027 22.711 16.728
254 HB3 TRP 37 HB2 TRP 37 3.553 21.862 16.270
255 HD1 TRP 37 HD1 TRP 37 3.860 25.050 18.456
256 HE1 TRP 37 HE1 TRP 37 2.449 26.901 17.358
257 HE3 TRP 37 HE3 TRP 37 2.386 22.556 14.244
258 HZ2 TRP 37 HZ2 TRP 37 0.913 27.257 15.016
259 HZ3 TRP 37 HZ3 TRP 37 0.946 23.723 12.625
260 HH2 TRP 37 HH2 TRP 37 0.226 26.024 13.005
Start of MODEL 12
1 H1 LYS 1 HN LYS 1 4.038 0.950 -6.143
2 HA LYS 1 HA LYS 1 1.704 1.475 -4.423
3 HB2 LYS 1 HB1 LYS 1 0.465 0.127 -6.206
4 HB3 LYS 1 HB2 LYS 1 0.990 1.746 -6.649
5 HG2 LYS 1 HG1 LYS 1 2.811 -0.516 -7.258
6 HG3 LYS 1 HG2 LYS 1 1.354 -0.331 -8.238
7 HD2 LYS 1 HD1 LYS 1 3.021 2.081 -7.741
8 HD3 LYS 1 HD2 LYS 1 3.631 0.870 -8.871
9 HE2 LYS 1 HE1 LYS 1 0.814 1.831 -9.115
10 HE3 LYS 1 HE2 LYS 1 2.129 2.839 -9.716
11 HZ1 LYS 1 HZ1 LYS 1 2.534 0.210 -10.603
12 HZ2 LYS 1 HZ2 LYS 1 2.221 1.593 -11.525
13 HZ3 LYS 1 HZ3 LYS 1 0.938 0.645 -10.962
14 H TYR 2 HN TYR 2 4.040 -0.872 -5.461
15 HA TYR 2 HA TYR 2 2.673 -3.123 -4.294
16 HB2 TYR 2 HB1 TYR 2 5.399 -2.736 -5.513
17 HB3 TYR 2 HB2 TYR 2 4.950 -4.241 -4.719
18 HD1 TYR 2 HD2 TYR 2 4.266 -2.036 -7.585
19 HD2 TYR 2 HD1 TYR 2 3.434 -5.787 -5.756
20 HE1 TYR 2 HE2 TYR 2 3.210 -2.811 -9.667
21 HE2 TYR 2 HE1 TYR 2 2.377 -6.572 -7.833
22 HH TYR 2 HH TYR 2 2.402 -6.083 -10.210
23 H TYR 3 HN TYR 3 4.187 -4.544 -2.797
24 HA TYR 3 HA TYR 3 5.633 -2.974 -0.834
25 HB2 TYR 3 HB1 TYR 3 4.204 -3.994 1.029
26 HB3 TYR 3 HB2 TYR 3 3.499 -2.663 0.119
27 HD1 TYR 3 HD1 TYR 3 1.726 -3.110 -1.552
28 HD2 TYR 3 HD2 TYR 3 3.245 -6.181 0.970
29 HE1 TYR 3 HE1 TYR 3 -0.235 -4.500 -2.074
30 HE2 TYR 3 HE2 TYR 3 1.289 -7.581 0.454
31 HH TYR 3 HH TYR 3 -1.487 -6.440 -0.876
32 H GLY 4 HN GLY 4 7.430 -4.103 -0.531
33 HA2 GLY 4 HA1 GLY 4 7.252 -7.051 -0.556
34 HA3 GLY 4 HA2 GLY 4 8.675 -6.139 -1.036
35 H ASN 5 HN ASN 5 9.605 -7.758 0.540
36 HA ASN 5 HA ASN 5 9.108 -7.386 3.327
37 HB2 ASN 5 HB1 ASN 5 9.920 -9.521 2.695
38 HB3 ASN 5 HB2 ASN 5 11.255 -8.829 1.778
39 HD21 ASN 5 HD21 ASN 5 13.159 -8.713 2.734
40 HD22 ASN 5 HD22 ASN 5 13.448 -8.876 4.430
41 H GLY 6 HN GLY 6 11.228 -5.935 0.988
42 HA2 GLY 6 HA1 GLY 6 11.907 -3.624 1.767
43 HA3 GLY 6 HA2 GLY 6 12.587 -4.459 3.155
44 H VAL 7 HN VAL 7 13.324 -6.700 1.189
45 HA VAL 7 HA VAL 7 16.008 -5.895 0.793
46 HB VAL 7 HB VAL 7 15.454 -8.237 1.109
47 HG11 VAL 7 HG11 VAL 7 14.365 -8.553 -1.626
48 HG12 VAL 7 HG12 VAL 7 13.996 -9.442 -0.146
49 HG13 VAL 7 HG13 VAL 7 13.298 -7.844 -0.414
50 HG21 VAL 7 HG21 VAL 7 17.486 -7.661 -0.144
51 HG22 VAL 7 HG22 VAL 7 16.806 -9.202 -0.668
52 HG23 VAL 7 HG23 VAL 7 16.575 -7.757 -1.651
53 H HIS 8 HN HIS 8 13.222 -6.146 -1.366
54 HA HIS 8 HA HIS 8 14.681 -5.513 -3.736
55 HB2 HIS 8 HB1 HIS 8 11.769 -5.685 -3.031
56 HB3 HIS 8 HB2 HIS 8 12.264 -4.997 -4.575
57 HD1 HIS 8 HD1 HIS 8 14.466 -6.897 -5.420
58 HD2 HIS 8 HD2 HIS 8 10.905 -8.164 -3.695
59 HE1 HIS 8 HE1 HIS 8 14.185 -9.291 -6.138
60 H LEU 9 HN LEU 9 13.002 -3.658 -1.295
61 HA LEU 9 HA LEU 9 12.757 -1.230 -2.687
62 HB2 LEU 9 HB1 LEU 9 11.513 -1.377 -0.732
63 HB3 LEU 9 HB2 LEU 9 12.879 -1.978 0.206
64 HG LEU 9 HG LEU 9 13.053 0.794 -0.844
65 HD11 LEU 9 HD11 LEU 9 11.445 1.712 0.420
66 HD12 LEU 9 HD12 LEU 9 11.691 0.574 1.744
67 HD13 LEU 9 HD13 LEU 9 10.715 0.108 0.351
68 HD21 LEU 9 HD21 LEU 9 14.842 0.645 0.469
69 HD22 LEU 9 HD22 LEU 9 14.288 -0.876 1.168
70 HD23 LEU 9 HD23 LEU 9 13.738 0.658 1.844
71 H THR 10 HN THR 10 15.479 -2.802 -1.286
72 HA THR 10 HA THR 10 17.123 -0.529 -0.863
73 HB THR 10 HB THR 10 18.071 -3.331 -1.477
74 HG1 THR 10 HG1 THR 10 17.650 -3.846 0.584
75 HG21 THR 10 HG21 THR 10 20.118 -2.642 -0.875
76 HG22 THR 10 HG22 THR 10 19.500 -1.733 0.504
77 HG23 THR 10 HG23 THR 10 19.500 -1.007 -1.103
78 H LYS 11 HN LYS 11 17.327 -3.019 -3.414
79 HA LYS 11 HA LYS 11 19.066 -1.468 -5.040
80 HB2 LYS 11 HB1 LYS 11 17.520 -4.003 -5.400
81 HB3 LYS 11 HB2 LYS 11 18.221 -3.223 -6.812
82 HG2 LYS 11 HG1 LYS 11 19.991 -4.508 -6.311
83 HG3 LYS 11 HG2 LYS 11 20.350 -3.213 -5.166
84 HD2 LYS 11 HD1 LYS 11 20.528 -5.236 -3.951
85 HD3 LYS 11 HD2 LYS 11 18.991 -4.511 -3.472
86 HE2 LYS 11 HE1 LYS 11 18.529 -6.793 -3.821
87 HE3 LYS 11 HE2 LYS 11 17.918 -5.966 -5.253
88 HZ1 LYS 11 HZ1 LYS 11 19.411 -8.108 -5.424
89 HZ2 LYS 11 HZ2 LYS 11 20.662 -6.973 -5.330
90 HZ3 LYS 11 HZ3 LYS 11 19.515 -6.867 -6.569
91 H SER 12 HN SER 12 15.612 -1.732 -4.760
92 HA SER 12 HA SER 12 14.882 -0.685 -7.272
93 HB2 SER 12 HB1 SER 12 13.214 -1.786 -5.942
94 HB3 SER 12 HB2 SER 12 13.456 -0.661 -4.605
95 HG SER 12 HG SER 12 12.319 0.830 -5.628
96 H GLY 13 HN GLY 13 16.101 0.800 -4.395
97 HA2 GLY 13 HA1 GLY 13 17.017 3.116 -5.277
98 HA3 GLY 13 HA2 GLY 13 15.295 3.471 -5.264
99 H LEU 14 HN LEU 14 17.645 1.916 -3.072
100 HA LEU 14 HA LEU 14 16.340 2.522 -0.697
101 HB2 LEU 14 HB1 LEU 14 18.281 1.887 0.408
102 HB3 LEU 14 HB2 LEU 14 18.355 1.005 -1.116
103 HG LEU 14 HG LEU 14 19.851 3.567 -0.576
104 HD11 LEU 14 HD11 LEU 14 21.493 2.435 0.407
105 HD12 LEU 14 HD12 LEU 14 21.442 1.158 -0.807
106 HD13 LEU 14 HD13 LEU 14 20.351 1.102 0.577
107 HD21 LEU 14 HD21 LEU 14 19.575 1.726 -2.876
108 HD22 LEU 14 HD22 LEU 14 21.193 2.340 -2.534
109 HD23 LEU 14 HD23 LEU 14 19.868 3.465 -2.840
110 H SER 15 HN SER 15 18.245 4.540 -2.766
111 HA SER 15 HA SER 15 18.848 6.563 -0.853
112 HB2 SER 15 HB1 SER 15 20.101 6.245 -2.987
113 HB3 SER 15 HB2 SER 15 18.687 6.827 -3.864
114 HG SER 15 HG SER 15 19.178 8.801 -3.327
115 H VAL 16 HN VAL 16 16.436 6.366 -3.467
116 HA VAL 16 HA VAL 16 15.141 8.795 -2.765
117 HB VAL 16 HB VAL 16 14.983 7.822 -5.021
118 HG11 VAL 16 HG11 VAL 16 13.390 5.689 -3.615
119 HG12 VAL 16 HG12 VAL 16 13.351 5.944 -5.361
120 HG13 VAL 16 HG13 VAL 16 14.860 5.489 -4.567
121 HG21 VAL 16 HG21 VAL 16 12.207 7.906 -3.894
122 HG22 VAL 16 HG22 VAL 16 13.213 9.353 -3.944
123 HG23 VAL 16 HG23 VAL 16 12.798 8.516 -5.440
124 H ASN 17 HN ASN 17 14.883 5.530 -1.647
125 HA ASN 17 HA ASN 17 12.267 5.627 -0.587
126 HB2 ASN 17 HB1 ASN 17 13.170 3.473 -0.800
127 HB3 ASN 17 HB2 ASN 17 14.682 3.929 -0.020
128 HD21 ASN 17 HD21 ASN 17 11.288 4.340 0.914
129 HD22 ASN 17 HD22 ASN 17 11.431 3.529 2.434
130 H TRP 18 HN TRP 18 15.442 6.187 0.915
131 HA TRP 18 HA TRP 18 14.488 6.775 3.489
132 HB2 TRP 18 HB1 TRP 18 16.923 6.355 2.586
133 HB3 TRP 18 HB2 TRP 18 16.946 8.109 2.420
134 HD1 TRP 18 HD1 TRP 18 15.405 8.885 5.086
135 HE1 TRP 18 HE1 TRP 18 16.559 8.546 7.362
136 HE3 TRP 18 HE3 TRP 18 18.886 5.399 3.721
137 HZ2 TRP 18 HZ2 TRP 18 18.666 7.006 8.436
138 HZ3 TRP 18 HZ3 TRP 18 20.433 4.544 5.433
139 HH2 TRP 18 HH2 TRP 18 20.324 5.332 7.741
140 H GLY 19 HN GLY 19 15.581 9.038 0.947
141 HA2 GLY 19 HA1 GLY 19 14.913 11.410 2.200
142 HA3 GLY 19 HA2 GLY 19 14.908 11.179 0.457
143 H GLU 20 HN GLU 20 12.826 9.313 0.249
144 HA GLU 20 HA GLU 20 10.586 11.036 0.256
145 HB2 GLU 20 HB1 GLU 20 11.036 8.144 -0.333
146 HB3 GLU 20 HB2 GLU 20 9.385 8.707 -0.113
147 HG2 GLU 20 HG1 GLU 20 11.324 9.915 -2.068
148 HG3 GLU 20 HG2 GLU 20 10.163 8.653 -2.475
149 H ALA 21 HN ALA 21 11.490 8.295 2.319
150 HA ALA 21 HA ALA 21 9.176 8.281 3.914
151 HB1 ALA 21 HB1 ALA 21 11.646 7.510 5.285
152 HB2 ALA 21 HB2 ALA 21 10.172 6.586 4.990
153 HB3 ALA 21 HB3 ALA 21 11.399 6.716 3.730
154 H PHE 22 HN PHE 22 12.149 10.141 4.102
155 HA PHE 22 HA PHE 22 11.820 11.159 6.705
156 HB2 PHE 22 HB1 PHE 22 13.935 11.278 5.409
157 HB3 PHE 22 HB2 PHE 22 13.196 12.481 4.358
158 HD1 PHE 22 HD2 PHE 22 14.420 11.816 7.761
159 HD2 PHE 22 HD1 PHE 22 12.974 14.749 5.036
160 HE1 PHE 22 HE2 PHE 22 15.143 13.595 9.298
161 HE2 PHE 22 HE1 PHE 22 13.695 16.533 6.570
162 HZ PHE 22 HZ PHE 22 14.779 15.957 8.704
163 H SER 23 HN SER 23 10.939 12.533 3.544
164 HA SER 23 HA SER 23 9.852 14.930 4.430
165 HB2 SER 23 HB1 SER 23 9.085 13.219 2.056
166 HB3 SER 23 HB2 SER 23 8.503 14.863 2.311
167 HG SER 23 HG SER 23 10.296 15.510 1.456
168 H ALA 24 HN ALA 24 8.394 11.729 4.213
169 HA ALA 24 HA ALA 24 5.731 12.389 4.668
170 HB1 ALA 24 HB1 ALA 24 7.249 10.036 4.502
171 HB2 ALA 24 HB2 ALA 24 6.390 9.959 6.041
172 HB3 ALA 24 HB3 ALA 24 5.492 10.186 4.541
173 H GLY 25 HN GLY 25 8.159 11.385 7.091
174 HA2 GLY 25 HA1 GLY 25 6.549 11.807 9.344
175 HA3 GLY 25 HA2 GLY 25 8.306 11.803 9.342
176 H VAL 26 HN VAL 26 8.738 14.015 7.652
177 HA VAL 26 HA VAL 26 8.742 16.122 9.456
178 HB VAL 26 HB VAL 26 8.780 16.296 6.440
179 HG11 VAL 26 HG11 VAL 26 8.549 18.492 6.888
180 HG12 VAL 26 HG12 VAL 26 9.037 18.307 8.574
181 HG13 VAL 26 HG13 VAL 26 10.259 18.383 7.304
182 HG21 VAL 26 HG21 VAL 26 10.595 15.068 8.132
183 HG22 VAL 26 HG22 VAL 26 10.898 15.597 6.477
184 HG23 VAL 26 HG23 VAL 26 11.300 16.656 7.829
185 H HIS 27 HN HIS 27 6.297 15.145 7.152
186 HA HIS 27 HA HIS 27 4.755 17.499 7.151
187 HB2 HIS 27 HB1 HIS 27 4.551 15.536 5.560
188 HB3 HIS 27 HB2 HIS 27 3.676 14.696 6.837
189 HD1 HIS 27 HD1 HIS 27 3.395 18.011 4.980
190 HD2 HIS 27 HD2 HIS 27 1.007 15.062 6.672
191 HE1 HIS 27 HE1 HIS 27 1.027 18.687 4.468
192 H ARG 28 HN ARG 28 4.642 14.610 9.196
193 HA ARG 28 HA ARG 28 2.368 15.431 10.690
194 HB2 ARG 28 HB1 ARG 28 4.461 13.320 10.987
195 HB3 ARG 28 HB2 ARG 28 3.443 13.701 12.370
196 HG2 ARG 28 HG1 ARG 28 2.165 13.154 9.735
197 HG3 ARG 28 HG2 ARG 28 2.776 11.809 10.700
198 HD2 ARG 28 HD1 ARG 28 0.907 13.908 11.779
199 HD3 ARG 28 HD2 ARG 28 0.352 12.399 11.056
200 HE ARG 28 HE ARG 28 2.102 11.580 12.953
201 HH11 ARG 28 HH11 ARG 28 -0.670 13.685 12.987
202 HH12 ARG 28 HH12 ARG 28 -1.093 13.316 14.626
203 HH21 ARG 28 HH21 ARG 28 1.556 11.087 15.112
204 HH22 ARG 28 HH22 ARG 28 0.175 11.839 15.834
205 H LEU 29 HN LEU 29 5.767 16.094 10.902
206 HA LEU 29 HA LEU 29 5.856 16.926 13.606
207 HB2 LEU 29 HB1 LEU 29 7.744 16.415 11.835
208 HB3 LEU 29 HB2 LEU 29 7.639 18.153 11.563
209 HG LEU 29 HG LEU 29 8.333 16.780 14.159
210 HD11 LEU 29 HD11 LEU 29 10.480 18.100 13.761
211 HD12 LEU 29 HD12 LEU 29 9.928 18.262 12.094
212 HD13 LEU 29 HD13 LEU 29 10.216 16.661 12.775
213 HD21 LEU 29 HD21 LEU 29 8.013 19.701 13.489
214 HD22 LEU 29 HD22 LEU 29 8.782 19.092 14.954
215 HD23 LEU 29 HD23 LEU 29 7.075 18.763 14.651
216 H ALA 30 HN ALA 30 5.542 18.755 10.570
217 HA ALA 30 HA ALA 30 5.345 21.302 11.731
218 HB1 ALA 30 HB1 ALA 30 5.480 20.370 9.188
219 HB2 ALA 30 HB2 ALA 30 3.799 20.898 9.269
220 HB3 ALA 30 HB3 ALA 30 5.099 22.036 9.623
221 H ASN 31 HN ASN 31 3.025 18.745 11.369
222 HA ASN 31 HA ASN 31 0.739 20.436 11.880
223 HB2 ASN 31 HB1 ASN 31 0.514 18.452 10.447
224 HB3 ASN 31 HB2 ASN 31 0.971 17.419 11.798
225 HD21 ASN 31 HD21 ASN 31 -0.709 16.398 12.585
226 HD22 ASN 31 HD22 ASN 31 -2.300 17.043 12.781
227 H GLY 32 HN GLY 32 2.062 17.595 13.598
228 HA2 GLY 32 HA1 GLY 32 2.378 18.739 16.092
229 HA3 GLY 32 HA2 GLY 32 0.697 18.233 16.018
230 H GLY 33 HN GLY 33 3.855 16.858 15.067
231 HA2 GLY 33 HA1 GLY 33 2.953 14.210 15.816
232 HA3 GLY 33 HA2 GLY 33 4.518 14.628 15.134
233 H ASN 34 HN ASN 34 5.019 16.704 17.148
234 HA ASN 34 HA ASN 34 5.988 14.929 19.241
235 HB2 ASN 34 HB1 ASN 34 6.590 17.774 18.464
236 HB3 ASN 34 HB2 ASN 34 7.135 17.114 20.004
237 HD21 ASN 34 HD21 ASN 34 8.998 18.003 18.312
238 HD22 ASN 34 HD22 ASN 34 9.865 16.691 17.597
239 H GLY 35 HN GLY 35 4.447 18.154 19.205
240 HA2 GLY 35 HA1 GLY 35 2.604 17.314 21.288
241 HA3 GLY 35 HA2 GLY 35 3.775 18.532 21.769
242 H PHE 36 HN PHE 36 3.305 20.608 21.402
243 HA PHE 36 HA PHE 36 0.804 21.217 20.050
244 HB2 PHE 36 HB1 PHE 36 2.692 22.942 21.664
245 HB3 PHE 36 HB2 PHE 36 1.188 23.518 20.952
246 HD1 PHE 36 HD2 PHE 36 -0.926 22.036 21.577
247 HD2 PHE 36 HD1 PHE 36 2.658 22.290 23.859
248 HE1 PHE 36 HE2 PHE 36 -2.154 21.309 23.581
249 HE2 PHE 36 HE1 PHE 36 1.436 21.562 25.866
250 HZ PHE 36 HZ PHE 36 -0.974 21.071 25.729
251 H TRP 37 HN TRP 37 0.991 21.310 17.892
252 HA TRP 37 HA TRP 37 1.617 22.004 15.820
253 HB2 TRP 37 HB1 TRP 37 1.397 24.250 17.124
254 HB3 TRP 37 HB2 TRP 37 3.157 24.271 17.046
255 HD1 TRP 37 HD1 TRP 37 0.608 23.320 14.275
256 HE1 TRP 37 HE1 TRP 37 1.102 24.782 12.215
257 HE3 TRP 37 HE3 TRP 37 4.368 26.196 16.204
258 HZ2 TRP 37 HZ2 TRP 37 2.855 26.877 11.502
259 HZ3 TRP 37 HZ3 TRP 37 5.401 27.906 14.768
260 HH2 TRP 37 HH2 TRP 37 4.659 28.237 12.465
Start of MODEL 13
1 H1 LYS 1 HN LYS 1 -0.282 -1.204 -8.334
2 HA LYS 1 HA LYS 1 -0.604 -2.576 -6.072
3 HB2 LYS 1 HB1 LYS 1 -0.694 -3.625 -8.894
4 HB3 LYS 1 HB2 LYS 1 -1.155 -4.623 -7.521
5 HG2 LYS 1 HG1 LYS 1 -2.402 -1.950 -8.098
6 HG3 LYS 1 HG2 LYS 1 -3.036 -3.474 -8.724
7 HD2 LYS 1 HD1 LYS 1 -3.242 -4.302 -6.405
8 HD3 LYS 1 HD2 LYS 1 -2.690 -2.731 -5.819
9 HE2 LYS 1 HE1 LYS 1 -5.027 -2.883 -7.673
10 HE3 LYS 1 HE2 LYS 1 -5.244 -3.262 -5.965
11 HZ1 LYS 1 HZ1 LYS 1 -5.040 -1.126 -5.386
12 HZ2 LYS 1 HZ2 LYS 1 -5.379 -0.792 -7.009
13 HZ3 LYS 1 HZ3 LYS 1 -3.776 -0.829 -6.471
14 H TYR 2 HN TYR 2 2.259 -2.081 -6.496
15 HA TYR 2 HA TYR 2 3.513 -4.661 -6.748
16 HB2 TYR 2 HB1 TYR 2 5.583 -3.508 -6.403
17 HB3 TYR 2 HB2 TYR 2 4.586 -2.492 -7.438
18 HD1 TYR 2 HD1 TYR 2 3.468 -0.478 -6.471
19 HD2 TYR 2 HD2 TYR 2 6.318 -2.750 -4.276
20 HE1 TYR 2 HE1 TYR 2 3.757 1.402 -4.912
21 HE2 TYR 2 HE2 TYR 2 6.614 -0.877 -2.710
22 HH TYR 2 HH TYR 2 4.807 1.294 -2.075
23 H TYR 3 HN TYR 3 5.018 -5.446 -5.019
24 HA TYR 3 HA TYR 3 4.245 -4.787 -2.296
25 HB2 TYR 3 HB1 TYR 3 3.780 -7.501 -3.532
26 HB3 TYR 3 HB2 TYR 3 3.871 -7.248 -1.792
27 HD1 TYR 3 HD1 TYR 3 2.283 -5.292 -0.912
28 HD2 TYR 3 HD2 TYR 3 1.691 -7.489 -4.507
29 HE1 TYR 3 HE1 TYR 3 -0.106 -4.710 -0.867
30 HE2 TYR 3 HE2 TYR 3 -0.700 -6.912 -4.473
31 HH TYR 3 HH TYR 3 -2.030 -4.657 -3.163
32 H GLY 4 HN GLY 4 6.188 -4.374 -1.458
33 HA2 GLY 4 HA1 GLY 4 8.291 -6.414 -1.821
34 HA3 GLY 4 HA2 GLY 4 8.658 -4.699 -1.940
35 H ASN 5 HN ASN 5 9.259 -7.101 -0.018
36 HA ASN 5 HA ASN 5 8.292 -6.279 2.523
37 HB2 ASN 5 HB1 ASN 5 10.084 -7.812 3.400
38 HB3 ASN 5 HB2 ASN 5 8.984 -8.560 2.246
39 HD21 ASN 5 HD21 ASN 5 9.726 -9.100 0.199
40 HD22 ASN 5 HD22 ASN 5 11.410 -9.181 -0.176
41 H GLY 6 HN GLY 6 10.982 -5.332 0.549
42 HA2 GLY 6 HA1 GLY 6 11.701 -2.987 1.288
43 HA3 GLY 6 HA2 GLY 6 12.116 -3.794 2.793
44 H VAL 7 HN VAL 7 12.902 -6.197 1.049
45 HA VAL 7 HA VAL 7 15.676 -5.638 0.985
46 HB VAL 7 HB VAL 7 14.879 -7.906 1.328
47 HG11 VAL 7 HG11 VAL 7 12.985 -7.423 -0.490
48 HG12 VAL 7 HG12 VAL 7 14.134 -8.288 -1.512
49 HG13 VAL 7 HG13 VAL 7 13.496 -9.054 -0.056
50 HG21 VAL 7 HG21 VAL 7 16.897 -7.136 -0.503
51 HG22 VAL 7 HG22 VAL 7 16.821 -8.588 0.495
52 HG23 VAL 7 HG23 VAL 7 16.136 -8.599 -1.130
53 H HIS 8 HN HIS 8 13.188 -5.782 -1.520
54 HA HIS 8 HA HIS 8 14.996 -5.406 -3.695
55 HB2 HIS 8 HB1 HIS 8 12.592 -6.385 -3.715
56 HB3 HIS 8 HB2 HIS 8 12.076 -4.704 -3.806
57 HD1 HIS 8 HD1 HIS 8 14.346 -7.086 -5.712
58 HD2 HIS 8 HD2 HIS 8 11.969 -3.735 -6.333
59 HE1 HIS 8 HE1 HIS 8 14.379 -6.689 -8.195
60 H LEU 9 HN LEU 9 13.192 -3.286 -1.585
61 HA LEU 9 HA LEU 9 13.339 -0.927 -3.105
62 HB2 LEU 9 HB1 LEU 9 11.851 -0.866 -1.322
63 HB3 LEU 9 HB2 LEU 9 13.034 -1.517 -0.188
64 HG LEU 9 HG LEU 9 13.572 1.167 -1.338
65 HD11 LEU 9 HD11 LEU 9 11.482 1.837 -0.813
66 HD12 LEU 9 HD12 LEU 9 12.151 1.891 0.817
67 HD13 LEU 9 HD13 LEU 9 11.209 0.494 0.297
68 HD21 LEU 9 HD21 LEU 9 15.165 0.956 0.200
69 HD22 LEU 9 HD22 LEU 9 14.401 -0.475 0.893
70 HD23 LEU 9 HD23 LEU 9 13.903 1.134 1.419
71 H THR 10 HN THR 10 15.711 -2.632 -1.280
72 HA THR 10 HA THR 10 17.484 -0.479 -0.760
73 HB THR 10 HB THR 10 18.310 -3.357 -1.119
74 HG1 THR 10 HG1 THR 10 17.276 -2.135 1.241
75 HG21 THR 10 HG21 THR 10 20.218 -2.810 -0.025
76 HG22 THR 10 HG22 THR 10 19.412 -1.634 1.013
77 HG23 THR 10 HG23 THR 10 19.849 -1.199 -0.639
78 H LYS 11 HN LYS 11 17.787 -3.132 -3.131
79 HA LYS 11 HA LYS 11 19.853 -1.836 -4.588
80 HB2 LYS 11 HB1 LYS 11 18.056 -4.170 -5.245
81 HB3 LYS 11 HB2 LYS 11 19.331 -3.612 -6.321
82 HG2 LYS 11 HG1 LYS 11 21.014 -4.314 -4.910
83 HG3 LYS 11 HG2 LYS 11 19.973 -4.286 -3.485
84 HD2 LYS 11 HD1 LYS 11 18.687 -6.152 -4.884
85 HD3 LYS 11 HD2 LYS 11 20.299 -6.374 -5.569
86 HE2 LYS 11 HE1 LYS 11 21.224 -6.951 -3.506
87 HE3 LYS 11 HE2 LYS 11 19.883 -6.248 -2.603
88 HZ1 LYS 11 HZ1 LYS 11 19.768 -8.649 -2.577
89 HZ2 LYS 11 HZ2 LYS 11 19.763 -8.706 -4.267
90 HZ3 LYS 11 HZ3 LYS 11 18.455 -8.022 -3.440
91 H SER 12 HN SER 12 16.388 -1.757 -4.732
92 HA SER 12 HA SER 12 16.066 -0.833 -7.374
93 HB2 SER 12 HB1 SER 12 14.386 -0.726 -4.892
94 HB3 SER 12 HB2 SER 12 13.894 0.190 -6.317
95 HG SER 12 HG SER 12 13.486 -1.624 -7.366
96 H GLY 13 HN GLY 13 17.096 0.734 -4.467
97 HA2 GLY 13 HA1 GLY 13 18.346 2.879 -5.359
98 HA3 GLY 13 HA2 GLY 13 16.685 3.399 -5.600
99 H LEU 14 HN LEU 14 18.525 1.771 -3.011
100 HA LEU 14 HA LEU 14 17.004 2.712 -0.885
101 HB2 LEU 14 HB1 LEU 14 18.675 1.928 0.517
102 HB3 LEU 14 HB2 LEU 14 18.858 0.942 -0.933
103 HG LEU 14 HG LEU 14 20.561 3.349 -0.300
104 HD11 LEU 14 HD11 LEU 14 21.819 0.726 -0.182
105 HD12 LEU 14 HD12 LEU 14 20.594 0.966 1.063
106 HD13 LEU 14 HD13 LEU 14 21.941 2.096 0.923
107 HD21 LEU 14 HD21 LEU 14 20.382 1.423 -2.534
108 HD22 LEU 14 HD22 LEU 14 22.003 1.845 -1.982
109 HD23 LEU 14 HD23 LEU 14 20.898 3.109 -2.524
110 H SER 15 HN SER 15 19.400 4.324 -2.791
111 HA SER 15 HA SER 15 20.007 6.403 -0.941
112 HB2 SER 15 HB1 SER 15 20.701 7.564 -3.213
113 HB3 SER 15 HB2 SER 15 21.650 6.232 -2.556
114 HG SER 15 HG SER 15 21.068 5.024 -4.181
115 H VAL 16 HN VAL 16 17.932 6.280 -3.834
116 HA VAL 16 HA VAL 16 16.882 8.895 -3.476
117 HB VAL 16 HB VAL 16 16.875 7.772 -5.662
118 HG11 VAL 16 HG11 VAL 16 15.063 6.069 -6.075
119 HG12 VAL 16 HG12 VAL 16 16.427 5.512 -5.104
120 HG13 VAL 16 HG13 VAL 16 14.902 5.936 -4.324
121 HG21 VAL 16 HG21 VAL 16 14.057 8.348 -4.768
122 HG22 VAL 16 HG22 VAL 16 15.259 9.598 -5.086
123 HG23 VAL 16 HG23 VAL 16 14.731 8.532 -6.387
124 H ASN 17 HN ASN 17 16.067 5.785 -2.190
125 HA ASN 17 HA ASN 17 13.385 6.399 -1.441
126 HB2 ASN 17 HB1 ASN 17 14.191 4.081 -1.716
127 HB3 ASN 17 HB2 ASN 17 15.255 4.295 -0.329
128 HD21 ASN 17 HD21 ASN 17 11.844 4.629 -1.234
129 HD22 ASN 17 HD22 ASN 17 11.213 4.018 0.254
130 H TRP 18 HN TRP 18 16.523 6.754 0.074
131 HA TRP 18 HA TRP 18 15.760 7.168 2.717
132 HB2 TRP 18 HB1 TRP 18 18.126 7.043 1.596
133 HB3 TRP 18 HB2 TRP 18 17.964 8.795 1.500
134 HD1 TRP 18 HD1 TRP 18 16.398 8.935 4.425
135 HE1 TRP 18 HE1 TRP 18 17.867 8.793 6.533
136 HE3 TRP 18 HE3 TRP 18 20.562 6.796 2.370
137 HZ2 TRP 18 HZ2 TRP 18 20.450 7.895 7.233
138 HZ3 TRP 18 HZ3 TRP 18 22.489 6.329 3.828
139 HH2 TRP 18 HH2 TRP 18 22.432 6.868 6.208
140 H GLY 19 HN GLY 19 16.397 9.677 0.251
141 HA2 GLY 19 HA1 GLY 19 15.561 11.869 1.742
142 HA3 GLY 19 HA2 GLY 19 15.524 11.783 -0.013
143 H GLU 20 HN GLU 20 13.643 9.755 -0.364
144 HA GLU 20 HA GLU 20 11.240 11.206 -0.174
145 HB2 GLU 20 HB1 GLU 20 11.938 8.388 -0.905
146 HB3 GLU 20 HB2 GLU 20 10.250 8.829 -0.684
147 HG2 GLU 20 HG1 GLU 20 12.015 10.431 -2.486
148 HG3 GLU 20 HG2 GLU 20 11.281 8.928 -3.043
149 H ALA 21 HN ALA 21 12.466 8.447 1.693
150 HA ALA 21 HA ALA 21 10.222 8.089 3.333
151 HB1 ALA 21 HB1 ALA 21 12.802 7.551 4.613
152 HB2 ALA 21 HB2 ALA 21 11.438 6.476 4.307
153 HB3 ALA 21 HB3 ALA 21 12.603 6.808 3.026
154 H PHE 22 HN PHE 22 13.106 10.104 3.753
155 HA PHE 22 HA PHE 22 12.676 10.984 6.346
156 HB2 PHE 22 HB1 PHE 22 14.653 11.431 4.723
157 HB3 PHE 22 HB2 PHE 22 13.721 12.839 4.226
158 HD1 PHE 22 HD1 PHE 22 12.856 14.331 6.226
159 HD2 PHE 22 HD2 PHE 22 16.175 11.674 6.421
160 HE1 PHE 22 HE1 PHE 22 13.755 15.600 8.132
161 HE2 PHE 22 HE2 PHE 22 17.080 12.939 8.327
162 HZ PHE 22 HZ PHE 22 15.869 14.904 9.186
163 H SER 23 HN SER 23 11.744 12.697 3.357
164 HA SER 23 HA SER 23 10.276 14.727 4.566
165 HB2 SER 23 HB1 SER 23 9.066 14.829 2.316
166 HB3 SER 23 HB2 SER 23 10.821 14.989 2.272
167 HG SER 23 HG SER 23 9.252 13.121 1.125
168 H ALA 24 HN ALA 24 9.173 11.580 3.345
169 HA ALA 24 HA ALA 24 6.449 11.880 3.849
170 HB1 ALA 24 HB1 ALA 24 8.204 9.775 3.086
171 HB2 ALA 24 HB2 ALA 24 7.133 9.182 4.356
172 HB3 ALA 24 HB3 ALA 24 6.455 9.883 2.887
173 H GLY 25 HN GLY 25 9.095 11.187 6.015
174 HA2 GLY 25 HA1 GLY 25 7.385 10.344 8.187
175 HA3 GLY 25 HA2 GLY 25 9.120 10.609 8.264
176 H VAL 26 HN VAL 26 8.909 13.314 7.137
177 HA VAL 26 HA VAL 26 8.742 14.775 9.521
178 HB VAL 26 HB VAL 26 8.516 15.800 6.687
179 HG11 VAL 26 HG11 VAL 26 7.928 17.687 7.771
180 HG12 VAL 26 HG12 VAL 26 8.586 17.134 9.313
181 HG13 VAL 26 HG13 VAL 26 9.660 17.803 8.083
182 HG21 VAL 26 HG21 VAL 26 10.755 14.834 8.305
183 HG22 VAL 26 HG22 VAL 26 10.621 15.035 6.558
184 HG23 VAL 26 HG23 VAL 26 11.022 16.418 7.577
185 H HIS 27 HN HIS 27 6.346 14.059 7.068
186 HA HIS 27 HA HIS 27 4.413 15.966 7.817
187 HB2 HIS 27 HB1 HIS 27 4.571 14.333 5.744
188 HB3 HIS 27 HB2 HIS 27 3.582 13.294 6.766
189 HD1 HIS 27 HD1 HIS 27 1.671 13.618 4.972
190 HD2 HIS 27 HD2 HIS 27 2.771 17.053 7.032
191 HE1 HIS 27 HE1 HIS 27 -0.174 15.274 4.551
192 H ARG 28 HN ARG 28 4.932 12.609 8.832
193 HA ARG 28 HA ARG 28 2.669 12.444 10.515
194 HB2 ARG 28 HB1 ARG 28 4.004 10.504 9.634
195 HB3 ARG 28 HB2 ARG 28 5.255 10.909 10.802
196 HG2 ARG 28 HG1 ARG 28 4.044 10.152 12.575
197 HG3 ARG 28 HG2 ARG 28 2.494 10.514 11.812
198 HD2 ARG 28 HD1 ARG 28 2.497 8.223 11.706
199 HD3 ARG 28 HD2 ARG 28 3.223 8.624 10.150
200 HE ARG 28 HE ARG 28 5.250 8.331 12.078
201 HH11 ARG 28 HH11 ARG 28 2.934 6.443 10.290
202 HH12 ARG 28 HH12 ARG 28 3.895 5.002 10.315
203 HH21 ARG 28 HH21 ARG 28 6.524 6.439 12.118
204 HH22 ARG 28 HH22 ARG 28 5.936 5.000 11.355
205 H LEU 29 HN LEU 29 6.017 13.408 11.087
206 HA LEU 29 HA LEU 29 5.889 13.588 13.888
207 HB2 LEU 29 HB1 LEU 29 7.641 14.695 11.764
208 HB3 LEU 29 HB2 LEU 29 7.723 15.438 13.359
209 HG LEU 29 HG LEU 29 8.203 12.515 12.782
210 HD11 LEU 29 HD11 LEU 29 9.878 14.326 11.942
211 HD12 LEU 29 HD12 LEU 29 10.471 12.904 12.799
212 HD13 LEU 29 HD13 LEU 29 10.311 14.442 13.648
213 HD21 LEU 29 HD21 LEU 29 9.339 13.141 15.200
214 HD22 LEU 29 HD22 LEU 29 7.795 12.319 14.970
215 HD23 LEU 29 HD23 LEU 29 7.836 14.065 15.225
216 H ALA 30 HN ALA 30 5.211 15.960 11.350
217 HA ALA 30 HA ALA 30 4.804 18.192 12.991
218 HB1 ALA 30 HB1 ALA 30 4.718 17.694 10.287
219 HB2 ALA 30 HB2 ALA 30 3.049 18.118 10.671
220 HB3 ALA 30 HB3 ALA 30 4.356 19.233 11.069
221 H ASN 31 HN ASN 31 2.662 15.557 12.081
222 HA ASN 31 HA ASN 31 0.369 16.796 13.349
223 HB2 ASN 31 HB1 ASN 31 0.829 14.231 11.855
224 HB3 ASN 31 HB2 ASN 31 -0.636 14.454 12.806
225 HD21 ASN 31 HD21 ASN 31 -1.916 14.370 10.957
226 HD22 ASN 31 HD22 ASN 31 -1.999 15.688 9.843
227 H GLY 32 HN GLY 32 2.096 16.741 15.300
228 HA2 GLY 32 HA1 GLY 32 0.921 15.174 17.304
229 HA3 GLY 32 HA2 GLY 32 2.383 14.358 16.771
230 H GLY 33 HN GLY 33 4.374 15.801 16.697
231 HA2 GLY 33 HA1 GLY 33 4.632 17.036 19.293
232 HA3 GLY 33 HA2 GLY 33 5.915 16.801 18.114
233 H ASN 34 HN ASN 34 3.066 18.792 18.818
234 HA ASN 34 HA ASN 34 4.517 21.133 17.883
235 HB2 ASN 34 HB1 ASN 34 3.122 20.074 15.969
236 HB3 ASN 34 HB2 ASN 34 1.729 20.705 16.843
237 HD21 ASN 34 HD21 ASN 34 3.986 21.354 14.513
238 HD22 ASN 34 HD22 ASN 34 3.830 23.074 14.448
239 H GLY 35 HN GLY 35 4.198 22.786 19.229
240 HA2 GLY 35 HA1 GLY 35 2.291 22.522 21.377
241 HA3 GLY 35 HA2 GLY 35 3.448 23.827 21.161
242 H PHE 36 HN PHE 36 2.403 25.696 21.093
243 HA PHE 36 HA PHE 36 0.229 26.021 19.179
244 HB2 PHE 36 HB1 PHE 36 -1.107 27.288 20.915
245 HB3 PHE 36 HB2 PHE 36 -1.038 25.543 21.140
246 HD1 PHE 36 HD1 PHE 36 0.254 24.572 22.959
247 HD2 PHE 36 HD2 PHE 36 -0.052 28.788 22.462
248 HE1 PHE 36 HE1 PHE 36 1.086 24.900 25.252
249 HE2 PHE 36 HE2 PHE 36 0.779 29.122 24.753
250 HZ PHE 36 HZ PHE 36 1.351 27.177 26.151
251 H TRP 37 HN TRP 37 0.218 27.983 18.212
252 HA TRP 37 HA TRP 37 0.926 30.045 17.567
253 HB2 TRP 37 HB1 TRP 37 1.624 30.474 20.478
254 HB3 TRP 37 HB2 TRP 37 1.298 31.712 19.268
255 HD1 TRP 37 HD1 TRP 37 -1.364 30.107 18.126
256 HE1 TRP 37 HE1 TRP 37 -3.528 30.314 19.505
257 HE3 TRP 37 HE3 TRP 37 0.657 31.520 22.605
258 HZ2 TRP 37 HZ2 TRP 37 -4.279 30.987 22.141
259 HZ3 TRP 37 HZ3 TRP 37 -0.853 31.926 24.505
260 HH2 TRP 37 HH2 TRP 37 -3.270 31.665 24.275
Start of MODEL 14
1 H1 LYS 1 HN LYS 1 -0.232 -8.258 -6.032
2 HA LYS 1 HA LYS 1 -0.652 -5.344 -5.895
3 HB2 LYS 1 HB1 LYS 1 -2.667 -6.961 -5.598
4 HB3 LYS 1 HB2 LYS 1 -1.970 -7.278 -4.015
5 HG2 LYS 1 HG1 LYS 1 -1.988 -4.693 -3.777
6 HG3 LYS 1 HG2 LYS 1 -3.173 -4.765 -5.084
7 HD2 LYS 1 HD1 LYS 1 -3.475 -6.499 -2.660
8 HD3 LYS 1 HD2 LYS 1 -3.992 -4.812 -2.623
9 HE2 LYS 1 HE1 LYS 1 -5.220 -5.449 -4.841
10 HE3 LYS 1 HE2 LYS 1 -5.058 -7.094 -4.228
11 HZ1 LYS 1 HZ1 LYS 1 -6.433 -4.823 -2.904
12 HZ2 LYS 1 HZ2 LYS 1 -6.146 -6.313 -2.158
13 HZ3 LYS 1 HZ3 LYS 1 -7.145 -6.229 -3.521
14 H TYR 2 HN TYR 2 1.871 -6.094 -5.543
15 HA TYR 2 HA TYR 2 2.335 -5.485 -2.754
16 HB2 TYR 2 HB1 TYR 2 3.697 -7.372 -2.241
17 HB3 TYR 2 HB2 TYR 2 2.193 -8.006 -2.901
18 HD1 TYR 2 HD2 TYR 2 2.189 -8.613 -5.411
19 HD2 TYR 2 HD1 TYR 2 5.741 -8.042 -3.139
20 HE1 TYR 2 HE2 TYR 2 3.458 -9.895 -7.083
21 HE2 TYR 2 HE1 TYR 2 7.020 -9.322 -4.805
22 HH TYR 2 HH TYR 2 5.542 -10.421 -7.807
23 H TYR 3 HN TYR 3 4.153 -4.307 -2.465
24 HA TYR 3 HA TYR 3 5.602 -3.505 -4.839
25 HB2 TYR 3 HB1 TYR 3 4.789 -1.934 -2.990
26 HB3 TYR 3 HB2 TYR 3 6.123 -2.557 -2.025
27 HD1 TYR 3 HD1 TYR 3 5.509 -1.116 -5.421
28 HD2 TYR 3 HD2 TYR 3 8.116 -1.395 -2.070
29 HE1 TYR 3 HE1 TYR 3 7.020 0.517 -6.469
30 HE2 TYR 3 HE2 TYR 3 9.634 0.238 -3.108
31 HH TYR 3 HH TYR 3 9.285 1.247 -6.384
32 H GLY 4 HN GLY 4 6.659 -4.476 -1.566
33 HA2 GLY 4 HA1 GLY 4 8.348 -6.549 -2.339
34 HA3 GLY 4 HA2 GLY 4 9.305 -5.075 -2.383
35 H ASN 5 HN ASN 5 9.978 -7.132 -0.688
36 HA ASN 5 HA ASN 5 8.883 -6.816 1.919
37 HB2 ASN 5 HB1 ASN 5 11.512 -8.028 1.035
38 HB3 ASN 5 HB2 ASN 5 10.823 -8.175 2.649
39 HD21 ASN 5 HD21 ASN 5 9.621 -9.888 3.036
40 HD22 ASN 5 HD22 ASN 5 8.882 -10.899 1.846
41 H GLY 6 HN GLY 6 11.392 -5.217 0.129
42 HA2 GLY 6 HA1 GLY 6 11.765 -2.896 1.069
43 HA3 GLY 6 HA2 GLY 6 12.166 -3.733 2.561
44 H VAL 7 HN VAL 7 13.435 -5.892 0.799
45 HA VAL 7 HA VAL 7 16.094 -4.940 0.998
46 HB VAL 7 HB VAL 7 16.717 -7.015 -0.212
47 HG11 VAL 7 HG11 VAL 7 15.390 -6.775 2.303
48 HG12 VAL 7 HG12 VAL 7 14.992 -8.338 1.588
49 HG13 VAL 7 HG13 VAL 7 16.679 -7.881 1.831
50 HG21 VAL 7 HG21 VAL 7 15.163 -7.647 -1.725
51 HG22 VAL 7 HG22 VAL 7 14.529 -8.574 -0.365
52 HG23 VAL 7 HG23 VAL 7 13.820 -7.011 -0.774
53 H HIS 8 HN HIS 8 13.861 -5.307 -1.716
54 HA HIS 8 HA HIS 8 15.764 -4.566 -3.710
55 HB2 HIS 8 HB1 HIS 8 13.500 -5.859 -3.940
56 HB3 HIS 8 HB2 HIS 8 12.806 -4.247 -4.086
57 HD1 HIS 8 HD1 HIS 8 12.212 -4.271 -6.527
58 HD2 HIS 8 HD2 HIS 8 16.164 -5.346 -5.830
59 HE1 HIS 8 HE1 HIS 8 13.290 -4.375 -8.797
60 H LEU 9 HN LEU 9 13.517 -2.835 -1.675
61 HA LEU 9 HA LEU 9 13.430 -0.405 -3.082
62 HB2 LEU 9 HB1 LEU 9 11.822 -0.644 -1.424
63 HB3 LEU 9 HB2 LEU 9 12.998 -1.183 -0.227
64 HG LEU 9 HG LEU 9 13.231 1.607 -1.215
65 HD11 LEU 9 HD11 LEU 9 10.773 1.135 -0.802
66 HD12 LEU 9 HD12 LEU 9 11.491 2.457 0.119
67 HD13 LEU 9 HD13 LEU 9 11.209 0.896 0.890
68 HD21 LEU 9 HD21 LEU 9 14.724 1.528 0.434
69 HD22 LEU 9 HD22 LEU 9 14.108 -0.021 1.013
70 HD23 LEU 9 HD23 LEU 9 13.362 1.484 1.553
71 H THR 10 HN THR 10 15.892 -1.851 -1.163
72 HA THR 10 HA THR 10 17.287 0.499 -0.401
73 HB THR 10 HB THR 10 18.514 -2.227 -0.831
74 HG1 THR 10 HG1 THR 10 17.956 -2.530 1.421
75 HG21 THR 10 HG21 THR 10 20.309 -1.473 0.312
76 HG22 THR 10 HG22 THR 10 19.328 -0.510 1.417
77 HG23 THR 10 HG23 THR 10 19.725 0.115 -0.183
78 H LYS 11 HN LYS 11 18.143 -1.933 -2.872
79 HA LYS 11 HA LYS 11 20.086 -0.264 -4.100
80 HB2 LYS 11 HB1 LYS 11 18.742 -2.833 -4.902
81 HB3 LYS 11 HB2 LYS 11 19.851 -2.007 -5.988
82 HG2 LYS 11 HG1 LYS 11 21.578 -2.122 -4.192
83 HG3 LYS 11 HG2 LYS 11 20.462 -3.125 -3.262
84 HD2 LYS 11 HD1 LYS 11 21.429 -3.784 -6.043
85 HD3 LYS 11 HD2 LYS 11 22.151 -4.419 -4.562
86 HE2 LYS 11 HE1 LYS 11 19.274 -4.786 -5.395
87 HE3 LYS 11 HE2 LYS 11 20.550 -5.987 -5.594
88 HZ1 LYS 11 HZ1 LYS 11 20.805 -5.540 -3.023
89 HZ2 LYS 11 HZ2 LYS 11 19.694 -6.665 -3.622
90 HZ3 LYS 11 HZ3 LYS 11 19.172 -5.122 -3.167
91 H SER 12 HN SER 12 16.669 -0.745 -4.553
92 HA SER 12 HA SER 12 16.418 0.322 -7.148
93 HB2 SER 12 HB1 SER 12 14.603 -0.940 -6.142
94 HB3 SER 12 HB2 SER 12 14.436 0.260 -4.860
95 HG SER 12 HG SER 12 12.926 0.857 -6.288
96 H GLY 13 HN GLY 13 16.896 1.802 -4.057
97 HA2 GLY 13 HA1 GLY 13 17.817 4.196 -4.704
98 HA3 GLY 13 HA2 GLY 13 16.109 4.439 -5.035
99 H LEU 14 HN LEU 14 18.091 3.003 -2.437
100 HA LEU 14 HA LEU 14 16.296 3.431 -0.363
101 HB2 LEU 14 HB1 LEU 14 18.033 2.933 1.102
102 HB3 LEU 14 HB2 LEU 14 18.470 2.092 -0.384
103 HG LEU 14 HG LEU 14 19.621 4.754 0.442
104 HD11 LEU 14 HD11 LEU 14 20.278 2.024 1.273
105 HD12 LEU 14 HD12 LEU 14 20.698 3.570 2.008
106 HD13 LEU 14 HD13 LEU 14 21.646 2.951 0.657
107 HD21 LEU 14 HD21 LEU 14 19.975 2.911 -1.853
108 HD22 LEU 14 HD22 LEU 14 21.417 3.697 -1.211
109 HD23 LEU 14 HD23 LEU 14 20.063 4.671 -1.786
110 H SER 15 HN SER 15 18.394 5.657 -1.984
111 HA SER 15 HA SER 15 18.431 7.665 0.036
112 HB2 SER 15 HB1 SER 15 20.072 7.455 -1.882
113 HB3 SER 15 HB2 SER 15 18.808 8.094 -2.932
114 HG SER 15 HG SER 15 19.622 9.447 -0.590
115 H VAL 16 HN VAL 16 16.644 7.405 -3.039
116 HA VAL 16 HA VAL 16 15.012 9.675 -2.535
117 HB VAL 16 HB VAL 16 15.452 8.786 -4.809
118 HG11 VAL 16 HG11 VAL 16 15.311 6.417 -4.374
119 HG12 VAL 16 HG12 VAL 16 13.610 6.565 -3.928
120 HG13 VAL 16 HG13 VAL 16 14.115 6.858 -5.592
121 HG21 VAL 16 HG21 VAL 16 13.096 9.874 -3.782
122 HG22 VAL 16 HG22 VAL 16 13.627 9.879 -5.464
123 HG23 VAL 16 HG23 VAL 16 12.576 8.592 -4.875
124 H ASN 17 HN ASN 17 14.756 6.286 -1.762
125 HA ASN 17 HA ASN 17 11.968 6.302 -1.156
126 HB2 ASN 17 HB1 ASN 17 14.232 4.402 -0.620
127 HB3 ASN 17 HB2 ASN 17 12.662 4.151 0.138
128 HD21 ASN 17 HD21 ASN 17 10.787 4.308 -1.456
129 HD22 ASN 17 HD22 ASN 17 11.000 3.473 -2.953
130 H TRP 18 HN TRP 18 14.923 6.530 0.794
131 HA TRP 18 HA TRP 18 13.645 6.639 3.303
132 HB2 TRP 18 HB1 TRP 18 15.992 6.135 3.197
133 HB3 TRP 18 HB2 TRP 18 16.337 7.660 2.386
134 HD1 TRP 18 HD1 TRP 18 17.082 9.592 3.902
135 HE1 TRP 18 HE1 TRP 18 17.081 10.041 6.436
136 HE3 TRP 18 HE3 TRP 18 14.449 5.493 5.451
137 HZ2 TRP 18 HZ2 TRP 18 16.096 8.818 8.782
138 HZ3 TRP 18 HZ3 TRP 18 14.022 5.206 7.857
139 HH2 TRP 18 HH2 TRP 18 14.829 6.835 9.486
140 H GLY 19 HN GLY 19 14.818 9.221 1.153
141 HA2 GLY 19 HA1 GLY 19 14.086 11.380 2.801
142 HA3 GLY 19 HA2 GLY 19 14.315 11.459 1.061
143 H GLU 20 HN GLU 20 12.299 9.736 0.214
144 HA GLU 20 HA GLU 20 10.072 11.457 0.221
145 HB2 GLU 20 HB1 GLU 20 10.634 8.713 -0.784
146 HB3 GLU 20 HB2 GLU 20 8.950 9.196 -0.642
147 HG2 GLU 20 HG1 GLU 20 11.006 10.800 -2.133
148 HG3 GLU 20 HG2 GLU 20 10.000 9.564 -2.885
149 H ALA 21 HN ALA 21 10.713 8.431 1.952
150 HA ALA 21 HA ALA 21 8.196 8.207 3.193
151 HB1 ALA 21 HB1 ALA 21 10.458 7.180 4.741
152 HB2 ALA 21 HB2 ALA 21 9.038 6.345 4.111
153 HB3 ALA 21 HB3 ALA 21 10.423 6.644 3.061
154 H PHE 22 HN PHE 22 11.131 9.926 4.084
155 HA PHE 22 HA PHE 22 10.463 10.537 6.740
156 HB2 PHE 22 HB1 PHE 22 12.708 10.847 5.537
157 HB3 PHE 22 HB2 PHE 22 12.046 12.367 4.944
158 HD1 PHE 22 HD2 PHE 22 13.188 10.535 7.904
159 HD2 PHE 22 HD1 PHE 22 11.747 14.247 6.402
160 HE1 PHE 22 HE2 PHE 22 13.875 11.642 9.991
161 HE2 PHE 22 HE1 PHE 22 12.432 15.361 8.486
162 HZ PHE 22 HZ PHE 22 13.497 14.058 10.284
163 H SER 23 HN SER 23 10.059 12.494 3.790
164 HA SER 23 HA SER 23 8.828 14.701 4.900
165 HB2 SER 23 HB1 SER 23 9.559 14.303 2.467
166 HB3 SER 23 HB2 SER 23 7.972 13.567 2.240
167 HG SER 23 HG SER 23 7.845 15.740 1.714
168 H ALA 24 HN ALA 24 7.466 11.568 4.114
169 HA ALA 24 HA ALA 24 4.743 12.206 4.295
170 HB1 ALA 24 HB1 ALA 24 6.334 9.837 4.088
171 HB2 ALA 24 HB2 ALA 24 5.065 9.595 5.290
172 HB3 ALA 24 HB3 ALA 24 4.644 10.086 3.650
173 H GLY 25 HN GLY 25 7.092 11.292 6.778
174 HA2 GLY 25 HA1 GLY 25 5.139 11.214 8.884
175 HA3 GLY 25 HA2 GLY 25 6.885 11.149 9.076
176 H VAL 26 HN VAL 26 7.381 13.613 7.631
177 HA VAL 26 HA VAL 26 7.320 15.433 9.749
178 HB VAL 26 HB VAL 26 7.553 16.045 6.799
179 HG11 VAL 26 HG11 VAL 26 7.281 18.142 7.617
180 HG12 VAL 26 HG12 VAL 26 7.793 17.693 9.245
181 HG13 VAL 26 HG13 VAL 26 8.996 17.955 7.982
182 HG21 VAL 26 HG21 VAL 26 9.409 14.916 8.780
183 HG22 VAL 26 HG22 VAL 26 9.411 14.790 7.020
184 HG23 VAL 26 HG23 VAL 26 10.061 16.231 7.802
185 H HIS 27 HN HIS 27 5.107 14.971 7.043
186 HA HIS 27 HA HIS 27 3.555 17.293 7.451
187 HB2 HIS 27 HB1 HIS 27 3.550 15.873 5.381
188 HB3 HIS 27 HB2 HIS 27 2.619 14.672 6.271
189 HD1 HIS 27 HD1 HIS 27 2.340 18.227 5.013
190 HD2 HIS 27 HD2 HIS 27 -0.080 15.127 6.352
191 HE1 HIS 27 HE1 HIS 27 -0.020 18.981 4.581
192 H ARG 28 HN ARG 28 3.297 14.000 8.705
193 HA ARG 28 HA ARG 28 0.814 14.376 10.023
194 HB2 ARG 28 HB1 ARG 28 3.000 12.341 10.154
195 HB3 ARG 28 HB2 ARG 28 1.774 12.355 11.415
196 HG2 ARG 28 HG1 ARG 28 0.029 12.090 9.730
197 HG3 ARG 28 HG2 ARG 28 1.256 12.087 8.461
198 HD2 ARG 28 HD1 ARG 28 1.494 10.141 10.704
199 HD3 ARG 28 HD2 ARG 28 0.302 9.839 9.441
200 HE ARG 28 HE ARG 28 2.623 10.379 8.098
201 HH11 ARG 28 HH11 ARG 28 1.638 8.084 10.524
202 HH12 ARG 28 HH12 ARG 28 2.745 6.859 10.000
203 HH21 ARG 28 HH21 ARG 28 4.084 8.774 7.399
204 HH22 ARG 28 HH22 ARG 28 4.136 7.252 8.223
205 H LEU 29 HN LEU 29 4.172 14.790 10.998
206 HA LEU 29 HA LEU 29 3.677 15.187 13.756
207 HB2 LEU 29 HB1 LEU 29 5.936 15.708 11.897
208 HB3 LEU 29 HB2 LEU 29 5.948 16.517 13.463
209 HG LEU 29 HG LEU 29 5.622 13.542 13.269
210 HD11 LEU 29 HD11 LEU 29 8.236 13.824 13.870
211 HD12 LEU 29 HD12 LEU 29 8.029 15.143 12.718
212 HD13 LEU 29 HD13 LEU 29 7.626 13.492 12.249
213 HD21 LEU 29 HD21 LEU 29 6.270 15.552 15.362
214 HD22 LEU 29 HD22 LEU 29 6.991 13.947 15.491
215 HD23 LEU 29 HD23 LEU 29 5.236 14.125 15.443
216 H ALA 30 HN ALA 30 3.803 17.361 10.989
217 HA ALA 30 HA ALA 30 3.730 19.789 12.425
218 HB1 ALA 30 HB1 ALA 30 4.008 19.117 9.801
219 HB2 ALA 30 HB2 ALA 30 2.384 19.807 9.823
220 HB3 ALA 30 HB3 ALA 30 3.754 20.756 10.402
221 H ASN 31 HN ASN 31 1.234 17.556 11.399
222 HA ASN 31 HA ASN 31 -0.897 19.377 12.165
223 HB2 ASN 31 HB1 ASN 31 -0.963 17.732 10.181
224 HB3 ASN 31 HB2 ASN 31 -1.254 16.489 11.393
225 HD21 ASN 31 HD21 ASN 31 -3.312 15.982 10.887
226 HD22 ASN 31 HD22 ASN 31 -4.639 17.082 11.002
227 H GLY 32 HN GLY 32 -0.386 19.578 14.406
228 HA2 GLY 32 HA1 GLY 32 -1.759 18.645 16.338
229 HA3 GLY 32 HA2 GLY 32 -0.905 17.147 15.996
230 H GLY 33 HN GLY 33 1.574 18.702 15.340
231 HA2 GLY 33 HA1 GLY 33 2.381 19.196 18.136
232 HA3 GLY 33 HA2 GLY 33 3.453 18.597 16.879
233 H ASN 34 HN ASN 34 1.873 21.398 18.218
234 HA ASN 34 HA ASN 34 3.150 23.171 16.286
235 HB2 ASN 34 HB1 ASN 34 1.316 23.810 18.608
236 HB3 ASN 34 HB2 ASN 34 1.875 24.957 17.394
237 HD21 ASN 34 HD21 ASN 34 0.560 25.314 15.766
238 HD22 ASN 34 HD22 ASN 34 -0.690 24.257 15.216
239 H GLY 35 HN GLY 35 3.352 22.239 19.664
240 HA2 GLY 35 HA1 GLY 35 5.234 24.298 20.364
241 HA3 GLY 35 HA2 GLY 35 4.781 22.918 21.353
242 H PHE 36 HN PHE 36 6.949 22.578 21.953
243 HA PHE 36 HA PHE 36 8.993 21.591 21.822
244 HB2 PHE 36 HB1 PHE 36 8.011 20.359 19.243
245 HB3 PHE 36 HB2 PHE 36 9.279 19.751 20.302
246 HD1 PHE 36 HD2 PHE 36 8.230 19.723 22.915
247 HD2 PHE 36 HD1 PHE 36 6.188 18.980 19.255
248 HE1 PHE 36 HE2 PHE 36 6.571 18.364 24.120
249 HE2 PHE 36 HE1 PHE 36 4.525 17.620 20.455
250 HZ PHE 36 HZ PHE 36 4.716 17.310 22.891
251 H TRP 37 HN TRP 37 8.600 24.196 20.647
252 HA TRP 37 HA TRP 37 10.987 24.253 18.979
253 HB2 TRP 37 HB1 TRP 37 8.987 24.098 17.449
254 HB3 TRP 37 HB2 TRP 37 8.462 25.654 18.087
255 HD1 TRP 37 HD1 TRP 37 11.586 24.191 16.301
256 HE1 TRP 37 HE1 TRP 37 12.539 26.018 14.758
257 HE3 TRP 37 HE3 TRP 37 8.386 27.999 17.481
258 HZ2 TRP 37 HZ2 TRP 37 12.005 28.717 14.127
259 HZ3 TRP 37 HZ3 TRP 37 8.676 30.172 16.363
260 HH2 TRP 37 HH2 TRP 37 10.449 30.521 14.721
Start of MODEL 15
1 H1 LYS 1 HN LYS 1 5.236 -6.101 -9.174
2 HA LYS 1 HA LYS 1 2.920 -7.398 -8.037
3 HB2 LYS 1 HB1 LYS 1 4.634 -8.314 -9.797
4 HB3 LYS 1 HB2 LYS 1 5.574 -8.747 -8.375
5 HG2 LYS 1 HG1 LYS 1 4.380 -10.674 -8.810
6 HG3 LYS 1 HG2 LYS 1 3.404 -9.887 -7.568
7 HD2 LYS 1 HD1 LYS 1 1.788 -9.195 -9.115
8 HD3 LYS 1 HD2 LYS 1 2.866 -9.453 -10.489
9 HE2 LYS 1 HE1 LYS 1 1.811 -11.656 -8.722
10 HE3 LYS 1 HE2 LYS 1 1.070 -11.171 -10.246
11 HZ1 LYS 1 HZ1 LYS 1 2.450 -12.574 -11.235
12 HZ2 LYS 1 HZ2 LYS 1 3.306 -12.859 -9.804
13 HZ3 LYS 1 HZ3 LYS 1 3.739 -11.565 -10.804
14 H TYR 2 HN TYR 2 5.963 -6.158 -6.933
15 HA TYR 2 HA TYR 2 5.881 -7.589 -4.419
16 HB2 TYR 2 HB1 TYR 2 7.721 -5.511 -5.584
17 HB3 TYR 2 HB2 TYR 2 7.842 -6.004 -3.899
18 HD1 TYR 2 HD2 TYR 2 7.480 -8.848 -3.919
19 HD2 TYR 2 HD1 TYR 2 9.490 -6.407 -6.765
20 HE1 TYR 2 HE2 TYR 2 8.868 -10.769 -4.577
21 HE2 TYR 2 HE1 TYR 2 10.882 -8.321 -7.433
22 HH TYR 2 HH TYR 2 11.541 -10.743 -5.893
23 H TYR 3 HN TYR 3 4.341 -7.003 -3.027
24 HA TYR 3 HA TYR 3 3.388 -4.287 -2.862
25 HB2 TYR 3 HB1 TYR 3 2.688 -6.856 -1.472
26 HB3 TYR 3 HB2 TYR 3 2.069 -5.319 -0.878
27 HD1 TYR 3 HD1 TYR 3 0.655 -3.904 -2.414
28 HD2 TYR 3 HD2 TYR 3 1.706 -7.923 -3.334
29 HE1 TYR 3 HE1 TYR 3 -1.174 -4.001 -4.055
30 HE2 TYR 3 HE2 TYR 3 -0.119 -8.030 -4.979
31 HH TYR 3 HH TYR 3 -2.598 -5.798 -5.120
32 H GLY 4 HN GLY 4 5.450 -6.425 -0.978
33 HA2 GLY 4 HA1 GLY 4 6.222 -4.096 0.656
34 HA3 GLY 4 HA2 GLY 4 5.870 -5.639 1.421
35 H ASN 5 HN ASN 5 7.091 -7.393 -0.338
36 HA ASN 5 HA ASN 5 9.821 -7.119 0.462
37 HB2 ASN 5 HB1 ASN 5 8.777 -9.131 -1.525
38 HB3 ASN 5 HB2 ASN 5 10.146 -9.290 -0.428
39 HD21 ASN 5 HD21 ASN 5 9.610 -9.239 1.907
40 HD22 ASN 5 HD22 ASN 5 8.156 -10.022 2.414
41 H GLY 6 HN GLY 6 10.228 -5.055 -0.637
42 HA2 GLY 6 HA1 GLY 6 10.518 -5.237 -3.546
43 HA3 GLY 6 HA2 GLY 6 10.640 -3.772 -2.583
44 H VAL 7 HN VAL 7 12.304 -6.754 -3.465
45 HA VAL 7 HA VAL 7 14.759 -6.142 -2.200
46 HB VAL 7 HB VAL 7 15.737 -7.855 -3.705
47 HG11 VAL 7 HG11 VAL 7 13.125 -8.615 -2.400
48 HG12 VAL 7 HG12 VAL 7 14.403 -9.741 -2.863
49 HG13 VAL 7 HG13 VAL 7 14.702 -8.531 -1.615
50 HG21 VAL 7 HG21 VAL 7 14.128 -9.121 -5.160
51 HG22 VAL 7 HG22 VAL 7 12.986 -7.797 -4.931
52 HG23 VAL 7 HG23 VAL 7 14.531 -7.501 -5.727
53 H HIS 8 HN HIS 8 13.507 -5.532 -5.446
54 HA HIS 8 HA HIS 8 15.948 -4.458 -6.462
55 HB2 HIS 8 HB1 HIS 8 13.095 -4.427 -7.421
56 HB3 HIS 8 HB2 HIS 8 14.354 -3.529 -8.264
57 HD1 HIS 8 HD1 HIS 8 13.008 -6.935 -7.769
58 HD2 HIS 8 HD2 HIS 8 16.338 -5.160 -9.508
59 HE1 HIS 8 HE1 HIS 8 14.049 -8.719 -9.203
60 H LEU 9 HN LEU 9 13.180 -3.150 -4.785
61 HA LEU 9 HA LEU 9 13.594 -0.422 -5.380
62 HB2 LEU 9 HB1 LEU 9 11.499 -0.928 -4.516
63 HB3 LEU 9 HB2 LEU 9 12.167 -1.906 -3.210
64 HG LEU 9 HG LEU 9 12.755 1.004 -3.179
65 HD11 LEU 9 HD11 LEU 9 10.335 0.797 -3.789
66 HD12 LEU 9 HD12 LEU 9 10.649 1.604 -2.253
67 HD13 LEU 9 HD13 LEU 9 10.094 -0.070 -2.272
68 HD21 LEU 9 HD21 LEU 9 13.552 0.315 -1.220
69 HD22 LEU 9 HD22 LEU 9 12.781 -1.263 -1.385
70 HD23 LEU 9 HD23 LEU 9 11.880 0.093 -0.704
71 H THR 10 HN THR 10 15.199 -2.607 -3.261
72 HA THR 10 HA THR 10 16.245 -0.729 -1.409
73 HB THR 10 HB THR 10 17.654 -3.282 -2.142
74 HG1 THR 10 HG1 THR 10 16.165 -4.200 -0.487
75 HG21 THR 10 HG21 THR 10 18.385 -3.278 0.100
76 HG22 THR 10 HG22 THR 10 17.181 -2.079 0.575
77 HG23 THR 10 HG23 THR 10 18.545 -1.606 -0.438
78 H LYS 11 HN LYS 11 17.910 -2.467 -4.047
79 HA LYS 11 HA LYS 11 20.178 -0.759 -3.988
80 HB2 LYS 11 HB1 LYS 11 19.189 -2.930 -5.783
81 HB3 LYS 11 HB2 LYS 11 20.463 -1.873 -6.376
82 HG2 LYS 11 HG1 LYS 11 21.887 -2.479 -4.528
83 HG3 LYS 11 HG2 LYS 11 20.595 -3.445 -3.810
84 HD2 LYS 11 HD1 LYS 11 21.941 -5.020 -4.889
85 HD3 LYS 11 HD2 LYS 11 20.616 -4.749 -6.024
86 HE2 LYS 11 HE1 LYS 11 22.063 -3.105 -7.212
87 HE3 LYS 11 HE2 LYS 11 23.387 -3.564 -6.142
88 HZ1 LYS 11 HZ1 LYS 11 23.497 -5.679 -7.059
89 HZ2 LYS 11 HZ2 LYS 11 23.227 -4.696 -8.408
90 HZ3 LYS 11 HZ3 LYS 11 21.952 -5.588 -7.744
91 H SER 12 HN SER 12 17.115 -0.624 -5.592
92 HA SER 12 HA SER 12 17.787 1.086 -7.728
93 HB2 SER 12 HB1 SER 12 15.244 0.395 -6.303
94 HB3 SER 12 HB2 SER 12 15.254 1.741 -7.443
95 HG SER 12 HG SER 12 15.126 0.301 -8.952
96 H GLY 13 HN GLY 13 17.307 1.654 -4.348
97 HA2 GLY 13 HA1 GLY 13 18.525 3.957 -3.949
98 HA3 GLY 13 HA2 GLY 13 17.067 4.543 -4.735
99 H LEU 14 HN LEU 14 17.813 2.144 -2.200
100 HA LEU 14 HA LEU 14 15.438 2.430 -0.785
101 HB2 LEU 14 HB1 LEU 14 16.412 1.166 0.888
102 HB3 LEU 14 HB2 LEU 14 17.322 0.696 -0.546
103 HG LEU 14 HG LEU 14 18.277 2.686 1.511
104 HD11 LEU 14 HD11 LEU 14 19.671 0.132 1.276
105 HD12 LEU 14 HD12 LEU 14 18.026 -0.009 1.893
106 HD13 LEU 14 HD13 LEU 14 19.187 1.036 2.711
107 HD21 LEU 14 HD21 LEU 14 19.366 1.613 -1.039
108 HD22 LEU 14 HD22 LEU 14 20.487 1.917 0.288
109 HD23 LEU 14 HD23 LEU 14 19.492 3.229 -0.344
110 H SER 15 HN SER 15 18.163 4.517 -0.958
111 HA SER 15 HA SER 15 17.936 5.842 1.515
112 HB2 SER 15 HB1 SER 15 19.067 6.658 -1.156
113 HB3 SER 15 HB2 SER 15 19.072 7.756 0.224
114 HG SER 15 HG SER 15 20.138 5.136 0.347
115 H VAL 16 HN VAL 16 15.978 5.910 -1.288
116 HA VAL 16 HA VAL 16 14.899 8.524 -1.025
117 HB VAL 16 HB VAL 16 14.767 7.067 -3.086
118 HG11 VAL 16 HG11 VAL 16 13.524 5.200 -3.176
119 HG12 VAL 16 HG12 VAL 16 13.656 5.225 -1.417
120 HG13 VAL 16 HG13 VAL 16 12.228 5.897 -2.205
121 HG21 VAL 16 HG21 VAL 16 12.749 8.827 -1.952
122 HG22 VAL 16 HG22 VAL 16 13.436 8.792 -3.576
123 HG23 VAL 16 HG23 VAL 16 12.091 7.729 -3.164
124 H ASN 17 HN ASN 17 14.351 5.557 0.629
125 HA ASN 17 HA ASN 17 11.695 6.055 1.509
126 HB2 ASN 17 HB1 ASN 17 12.744 3.804 1.504
127 HB3 ASN 17 HB2 ASN 17 13.818 4.326 2.799
128 HD21 ASN 17 HD21 ASN 17 10.383 4.082 1.980
129 HD22 ASN 17 HD22 ASN 17 9.854 3.675 3.574
130 H TRP 18 HN TRP 18 14.853 6.994 2.650
131 HA TRP 18 HA TRP 18 14.229 7.707 5.280
132 HB2 TRP 18 HB1 TRP 18 16.528 7.597 4.552
133 HB3 TRP 18 HB2 TRP 18 16.260 8.873 3.368
134 HD1 TRP 18 HD1 TRP 18 15.432 8.803 7.165
135 HE1 TRP 18 HE1 TRP 18 16.503 10.881 8.242
136 HE3 TRP 18 HE3 TRP 18 17.774 10.732 3.051
137 HZ2 TRP 18 HZ2 TRP 18 18.126 13.051 7.451
138 HZ3 TRP 18 HZ3 TRP 18 19.065 12.813 3.296
139 HH2 TRP 18 HH2 TRP 18 19.235 13.947 5.451
140 H GLY 19 HN GLY 19 14.161 9.670 2.310
141 HA2 GLY 19 HA1 GLY 19 13.328 12.068 3.520
142 HA3 GLY 19 HA2 GLY 19 13.104 11.649 1.828
143 H GLU 20 HN GLU 20 11.464 9.377 2.176
144 HA GLU 20 HA GLU 20 8.934 10.623 2.402
145 HB2 GLU 20 HB1 GLU 20 9.887 7.813 2.044
146 HB3 GLU 20 HB2 GLU 20 8.203 8.089 2.465
147 HG2 GLU 20 HG1 GLU 20 9.545 9.407 0.124
148 HG3 GLU 20 HG2 GLU 20 8.705 7.861 0.015
149 H ALA 21 HN ALA 21 10.745 8.466 4.549
150 HA ALA 21 HA ALA 21 8.746 8.183 6.515
151 HB1 ALA 21 HB1 ALA 21 11.506 8.121 7.495
152 HB2 ALA 21 HB2 ALA 21 10.244 6.890 7.569
153 HB3 ALA 21 HB3 ALA 21 11.202 7.084 6.101
154 H PHE 22 HN PHE 22 11.235 10.606 5.993
155 HA PHE 22 HA PHE 22 11.009 11.886 8.508
156 HB2 PHE 22 HB1 PHE 22 12.822 12.099 6.614
157 HB3 PHE 22 HB2 PHE 22 11.782 13.400 6.045
158 HD1 PHE 22 HD2 PHE 22 13.828 12.229 8.881
159 HD2 PHE 22 HD1 PHE 22 11.732 15.495 7.132
160 HE1 PHE 22 HE2 PHE 22 14.866 13.760 10.504
161 HE2 PHE 22 HE1 PHE 22 12.768 17.031 8.751
162 HZ PHE 22 HZ PHE 22 14.336 16.164 10.441
163 H SER 23 HN SER 23 9.570 12.588 5.336
164 HA SER 23 HA SER 23 8.151 14.881 6.072
165 HB2 SER 23 HB1 SER 23 7.416 12.810 3.988
166 HB3 SER 23 HB2 SER 23 6.759 14.444 4.087
167 HG SER 23 HG SER 23 9.539 14.088 3.962
168 H ALA 24 HN ALA 24 7.509 11.521 6.643
169 HA ALA 24 HA ALA 24 4.772 11.505 7.066
170 HB1 ALA 24 HB1 ALA 24 6.866 9.723 7.447
171 HB2 ALA 24 HB2 ALA 24 6.143 9.905 9.046
172 HB3 ALA 24 HB3 ALA 24 5.148 9.401 7.680
173 H GLY 25 HN GLY 25 7.339 12.131 9.464
174 HA2 GLY 25 HA1 GLY 25 5.566 12.713 11.592
175 HA3 GLY 25 HA2 GLY 25 7.267 13.148 11.523
176 H VAL 26 HN VAL 26 7.238 14.798 9.265
177 HA VAL 26 HA VAL 26 6.560 17.267 10.369
178 HB VAL 26 HB VAL 26 6.887 16.586 7.443
179 HG11 VAL 26 HG11 VAL 26 6.095 18.686 7.217
180 HG12 VAL 26 HG12 VAL 26 6.448 19.113 8.893
181 HG13 VAL 26 HG13 VAL 26 7.735 19.134 7.686
182 HG21 VAL 26 HG21 VAL 26 8.810 15.959 8.871
183 HG22 VAL 26 HG22 VAL 26 9.197 17.230 7.711
184 HG23 VAL 26 HG23 VAL 26 8.923 17.636 9.405
185 H HIS 27 HN HIS 27 4.713 15.089 8.330
186 HA HIS 27 HA HIS 27 2.650 16.870 7.614
187 HB2 HIS 27 HB1 HIS 27 3.096 14.644 6.548
188 HB3 HIS 27 HB2 HIS 27 2.415 13.878 7.981
189 HD1 HIS 27 HD1 HIS 27 -0.167 14.243 8.387
190 HD2 HIS 27 HD2 HIS 27 1.257 15.584 4.722
191 HE1 HIS 27 HE1 HIS 27 -2.208 14.593 6.960
192 H ARG 28 HN ARG 28 3.057 14.694 10.369
193 HA ARG 28 HA ARG 28 0.479 15.106 11.468
194 HB2 ARG 28 HB1 ARG 28 3.043 13.929 12.410
195 HB3 ARG 28 HB2 ARG 28 1.870 14.395 13.635
196 HG2 ARG 28 HG1 ARG 28 1.578 12.077 13.094
197 HG3 ARG 28 HG2 ARG 28 0.185 12.988 12.507
198 HD2 ARG 28 HD1 ARG 28 1.239 13.037 10.257
199 HD3 ARG 28 HD2 ARG 28 2.519 11.995 10.878
200 HE ARG 28 HE ARG 28 -0.130 11.211 10.123
201 HH11 ARG 28 HH11 ARG 28 2.573 10.453 12.182
202 HH12 ARG 28 HH12 ARG 28 2.167 8.774 12.317
203 HH21 ARG 28 HH21 ARG 28 -0.675 9.003 10.293
204 HH22 ARG 28 HH22 ARG 28 0.320 7.950 11.241
205 H LEU 29 HN LEU 29 3.647 16.547 12.191
206 HA LEU 29 HA LEU 29 2.789 18.233 14.263
207 HB2 LEU 29 HB1 LEU 29 5.127 18.140 12.434
208 HB3 LEU 29 HB2 LEU 29 4.841 19.631 13.329
209 HG LEU 29 HG LEU 29 4.932 17.046 14.816
210 HD11 LEU 29 HD11 LEU 29 7.230 16.896 14.846
211 HD12 LEU 29 HD12 LEU 29 7.454 18.562 14.314
212 HD13 LEU 29 HD13 LEU 29 6.924 17.334 13.165
213 HD21 LEU 29 HD21 LEU 29 4.518 18.626 16.365
214 HD22 LEU 29 HD22 LEU 29 5.153 19.930 15.361
215 HD23 LEU 29 HD23 LEU 29 6.258 18.895 16.268
216 H ALA 30 HN ALA 30 2.636 18.545 10.795
217 HA ALA 30 HA ALA 30 2.226 21.313 10.590
218 HB1 ALA 30 HB1 ALA 30 2.501 19.338 8.795
219 HB2 ALA 30 HB2 ALA 30 0.757 19.585 8.700
220 HB3 ALA 30 HB3 ALA 30 1.856 20.930 8.394
221 H ASN 31 HN ASN 31 0.073 18.701 11.457
222 HA ASN 31 HA ASN 31 -2.296 20.357 11.272
223 HB2 ASN 31 HB1 ASN 31 -2.188 17.833 10.816
224 HB3 ASN 31 HB2 ASN 31 -2.132 17.640 12.566
225 HD21 ASN 31 HD21 ASN 31 -4.066 16.776 12.982
226 HD22 ASN 31 HD22 ASN 31 -5.581 17.510 12.592
227 H GLY 32 HN GLY 32 -0.287 18.916 13.812
228 HA2 GLY 32 HA1 GLY 32 -1.881 20.180 15.893
229 HA3 GLY 32 HA2 GLY 32 -0.500 19.120 16.135
230 H GLY 33 HN GLY 33 1.605 19.983 16.063
231 HA2 GLY 33 HA1 GLY 33 3.223 21.644 16.120
232 HA3 GLY 33 HA2 GLY 33 2.002 22.806 15.624
233 H ASN 34 HN ASN 34 1.683 20.689 18.404
234 HA ASN 34 HA ASN 34 1.477 23.048 20.111
235 HB2 ASN 34 HB1 ASN 34 0.933 20.184 20.895
236 HB3 ASN 34 HB2 ASN 34 0.371 21.649 21.696
237 HD21 ASN 34 HD21 ASN 34 -0.739 19.185 20.052
238 HD22 ASN 34 HD22 ASN 34 -2.012 19.919 19.142
239 H GLY 35 HN GLY 35 3.538 23.690 20.578
240 HA2 GLY 35 HA1 GLY 35 4.923 22.508 22.667
241 HA3 GLY 35 HA2 GLY 35 5.658 21.897 21.193
242 H PHE 36 HN PHE 36 7.412 22.974 20.625
243 HA PHE 36 HA PHE 36 7.836 25.678 21.594
244 HB2 PHE 36 HB1 PHE 36 9.633 23.943 21.703
245 HB3 PHE 36 HB2 PHE 36 9.685 23.945 19.944
246 HD1 PHE 36 HD2 PHE 36 10.274 25.998 22.953
247 HD2 PHE 36 HD1 PHE 36 10.860 25.607 18.755
248 HE1 PHE 36 HE2 PHE 36 11.882 27.859 23.007
249 HE2 PHE 36 HE1 PHE 36 12.470 27.467 18.803
250 HZ PHE 36 HZ PHE 36 12.982 28.597 20.931
251 H TRP 37 HN TRP 37 7.334 23.985 18.558
252 HA TRP 37 HA TRP 37 7.719 26.397 16.994
253 HB2 TRP 37 HB1 TRP 37 7.048 23.544 16.306
254 HB3 TRP 37 HB2 TRP 37 6.954 24.827 15.103
255 HD1 TRP 37 HD1 TRP 37 9.380 22.514 16.756
256 HE1 TRP 37 HE1 TRP 37 11.765 22.998 15.917
257 HE3 TRP 37 HE3 TRP 37 8.507 26.932 14.337
258 HZ2 TRP 37 HZ2 TRP 37 13.099 24.990 14.426
259 HZ3 TRP 37 HZ3 TRP 37 10.391 28.063 13.230
260 HH2 TRP 37 HH2 TRP 37 12.639 27.111 13.276
Start of MODEL 16
1 H1 LYS 1 HN LYS 1 3.327 3.060 -3.881
2 HA LYS 1 HA LYS 1 1.389 1.180 -5.063
3 HB2 LYS 1 HB1 LYS 1 3.655 2.734 -6.295
4 HB3 LYS 1 HB2 LYS 1 2.961 1.326 -7.088
5 HG2 LYS 1 HG1 LYS 1 0.797 2.396 -7.178
6 HG3 LYS 1 HG2 LYS 1 1.418 3.783 -6.280
7 HD2 LYS 1 HD1 LYS 1 2.577 2.900 -8.914
8 HD3 LYS 1 HD2 LYS 1 1.241 4.049 -8.798
9 HE2 LYS 1 HE1 LYS 1 2.585 5.599 -7.583
10 HE3 LYS 1 HE2 LYS 1 3.878 4.417 -7.390
11 HZ1 LYS 1 HZ1 LYS 1 4.747 5.065 -9.303
12 HZ2 LYS 1 HZ2 LYS 1 3.569 6.271 -9.431
13 HZ3 LYS 1 HZ3 LYS 1 3.304 4.753 -10.129
14 H TYR 2 HN TYR 2 3.154 0.723 -2.756
15 HA TYR 2 HA TYR 2 5.221 -1.058 -3.733
16 HB2 TYR 2 HB1 TYR 2 4.326 -0.602 -0.882
17 HB3 TYR 2 HB2 TYR 2 5.832 -1.341 -1.413
18 HD1 TYR 2 HD1 TYR 2 7.457 0.129 -2.752
19 HD2 TYR 2 HD2 TYR 2 4.212 1.699 -0.492
20 HE1 TYR 2 HE1 TYR 2 8.554 2.330 -2.719
21 HE2 TYR 2 HE2 TYR 2 5.300 3.905 -0.453
22 HH TYR 2 HH TYR 2 7.670 4.792 -0.656
23 H TYR 3 HN TYR 3 5.074 -3.204 -3.929
24 HA TYR 3 HA TYR 3 2.509 -4.463 -3.431
25 HB2 TYR 3 HB1 TYR 3 5.034 -5.381 -4.802
26 HB3 TYR 3 HB2 TYR 3 3.667 -6.455 -4.526
27 HD1 TYR 3 HD2 TYR 3 1.435 -5.858 -5.556
28 HD2 TYR 3 HD1 TYR 3 5.052 -3.886 -6.622
29 HE1 TYR 3 HE2 TYR 3 0.380 -5.054 -7.627
30 HE2 TYR 3 HE1 TYR 3 4.005 -3.075 -8.695
31 HH TYR 3 HH TYR 3 1.722 -4.180 -10.158
32 H GLY 4 HN GLY 4 3.415 -3.832 -1.025
33 HA2 GLY 4 HA1 GLY 4 3.350 -5.138 0.968
34 HA3 GLY 4 HA2 GLY 4 4.143 -6.445 0.101
35 H ASN 5 HN ASN 5 6.055 -6.817 0.999
36 HA ASN 5 HA ASN 5 7.530 -4.772 2.364
37 HB2 ASN 5 HB1 ASN 5 8.343 -7.595 1.635
38 HB3 ASN 5 HB2 ASN 5 9.191 -6.540 2.762
39 HD21 ASN 5 HD21 ASN 5 7.350 -5.487 4.314
40 HD22 ASN 5 HD22 ASN 5 6.440 -6.696 5.149
41 H GLY 6 HN GLY 6 8.647 -6.965 -0.218
42 HA2 GLY 6 HA1 GLY 6 9.548 -6.259 -2.302
43 HA3 GLY 6 HA2 GLY 6 9.794 -4.658 -1.620
44 H VAL 7 HN VAL 7 10.984 -7.977 -1.613
45 HA VAL 7 HA VAL 7 13.287 -7.490 -0.041
46 HB VAL 7 HB VAL 7 14.143 -9.618 -0.991
47 HG11 VAL 7 HG11 VAL 7 11.248 -9.848 -0.190
48 HG12 VAL 7 HG12 VAL 7 12.537 -11.026 0.065
49 HG13 VAL 7 HG13 VAL 7 12.551 -9.498 0.945
50 HG21 VAL 7 HG21 VAL 7 13.484 -9.951 -3.126
51 HG22 VAL 7 HG22 VAL 7 12.136 -10.783 -2.353
52 HG23 VAL 7 HG23 VAL 7 11.947 -9.117 -2.898
53 H HIS 8 HN HIS 8 12.686 -7.426 -3.523
54 HA HIS 8 HA HIS 8 15.411 -6.979 -4.241
55 HB2 HIS 8 HB1 HIS 8 13.382 -7.852 -5.671
56 HB3 HIS 8 HB2 HIS 8 13.141 -6.139 -6.002
57 HD1 HIS 8 HD1 HIS 8 15.501 -4.930 -6.890
58 HD2 HIS 8 HD2 HIS 8 15.044 -9.022 -7.443
59 HE1 HIS 8 HE1 HIS 8 17.133 -5.550 -8.700
60 H LEU 9 HN LEU 9 12.714 -4.935 -3.394
61 HA LEU 9 HA LEU 9 13.679 -2.497 -4.416
62 HB2 LEU 9 HB1 LEU 9 11.437 -2.498 -3.806
63 HB3 LEU 9 HB2 LEU 9 11.764 -3.241 -2.241
64 HG LEU 9 HG LEU 9 12.837 -0.513 -2.712
65 HD11 LEU 9 HD11 LEU 9 9.967 -1.212 -2.751
66 HD12 LEU 9 HD12 LEU 9 10.812 0.170 -3.448
67 HD13 LEU 9 HD13 LEU 9 10.440 0.143 -1.725
68 HD21 LEU 9 HD21 LEU 9 13.264 -0.851 -0.556
69 HD22 LEU 9 HD22 LEU 9 12.254 -2.297 -0.511
70 HD23 LEU 9 HD23 LEU 9 11.530 -0.706 -0.269
71 H THR 10 HN THR 10 14.591 -4.368 -1.671
72 HA THR 10 HA THR 10 15.727 -2.299 -0.098
73 HB THR 10 HB THR 10 16.635 -5.175 -0.096
74 HG1 THR 10 HG1 THR 10 14.799 -5.723 0.830
75 HG21 THR 10 HG21 THR 10 17.540 -4.754 1.947
76 HG22 THR 10 HG22 THR 10 16.301 -3.573 2.372
77 HG23 THR 10 HG23 THR 10 17.627 -3.116 1.303
78 H LYS 11 HN LYS 11 17.358 -4.824 -2.025
79 HA LYS 11 HA LYS 11 19.875 -3.510 -1.953
80 HB2 LYS 11 HB1 LYS 11 18.786 -5.763 -3.636
81 HB3 LYS 11 HB2 LYS 11 20.432 -5.168 -3.809
82 HG2 LYS 11 HG1 LYS 11 20.493 -5.585 -1.208
83 HG3 LYS 11 HG2 LYS 11 19.193 -6.715 -1.598
84 HD2 LYS 11 HD1 LYS 11 20.989 -8.101 -1.861
85 HD3 LYS 11 HD2 LYS 11 20.891 -7.442 -3.496
86 HE2 LYS 11 HE1 LYS 11 22.569 -6.101 -1.410
87 HE3 LYS 11 HE2 LYS 11 23.182 -7.504 -2.284
88 HZ1 LYS 11 HZ1 LYS 11 23.904 -5.709 -3.534
89 HZ2 LYS 11 HZ2 LYS 11 22.464 -4.844 -3.340
90 HZ3 LYS 11 HZ3 LYS 11 22.508 -6.193 -4.359
91 H SER 12 HN SER 12 17.109 -3.284 -4.021
92 HA SER 12 HA SER 12 18.340 -2.228 -6.325
93 HB2 SER 12 HB1 SER 12 16.065 -3.052 -6.422
94 HB3 SER 12 HB2 SER 12 15.538 -1.850 -5.243
95 HG SER 12 HG SER 12 15.568 -1.593 -7.842
96 H GLY 13 HN GLY 13 17.558 -0.838 -3.253
97 HA2 GLY 13 HA1 GLY 13 19.117 1.284 -3.142
98 HA3 GLY 13 HA2 GLY 13 17.899 1.888 -4.255
99 H LEU 14 HN LEU 14 17.878 0.048 -1.198
100 HA LEU 14 HA LEU 14 15.438 1.003 -0.269
101 HB2 LEU 14 HB1 LEU 14 15.952 0.022 1.761
102 HB3 LEU 14 HB2 LEU 14 16.931 -0.893 0.617
103 HG LEU 14 HG LEU 14 17.971 1.346 2.350
104 HD11 LEU 14 HD11 LEU 14 17.167 -0.766 3.534
105 HD12 LEU 14 HD12 LEU 14 18.826 -0.250 3.832
106 HD13 LEU 14 HD13 LEU 14 18.504 -1.583 2.724
107 HD21 LEU 14 HD21 LEU 14 19.153 -0.433 0.282
108 HD22 LEU 14 HD22 LEU 14 20.138 -0.004 1.681
109 HD23 LEU 14 HD23 LEU 14 19.483 1.262 0.641
110 H SER 15 HN SER 15 18.497 2.560 -0.426
111 HA SER 15 HA SER 15 18.211 4.434 1.655
112 HB2 SER 15 HB1 SER 15 19.936 5.727 0.476
113 HB3 SER 15 HB2 SER 15 20.355 4.014 0.522
114 HG SER 15 HG SER 15 19.797 5.632 -1.623
115 H VAL 16 HN VAL 16 16.659 4.153 -1.379
116 HA VAL 16 HA VAL 16 16.050 6.890 -1.833
117 HB VAL 16 HB VAL 16 15.909 5.037 -3.546
118 HG11 VAL 16 HG11 VAL 16 14.286 3.815 -1.735
119 HG12 VAL 16 HG12 VAL 16 13.111 4.495 -2.862
120 HG13 VAL 16 HG13 VAL 16 14.370 3.407 -3.448
121 HG21 VAL 16 HG21 VAL 16 14.269 7.354 -3.183
122 HG22 VAL 16 HG22 VAL 16 14.910 6.668 -4.676
123 HG23 VAL 16 HG23 VAL 16 13.358 6.115 -4.047
124 H ASN 17 HN ASN 17 14.771 4.499 0.284
125 HA ASN 17 HA ASN 17 12.168 5.609 0.610
126 HB2 ASN 17 HB1 ASN 17 12.521 3.305 1.204
127 HB3 ASN 17 HB2 ASN 17 13.799 3.738 2.336
128 HD21 ASN 17 HD21 ASN 17 10.352 4.061 1.698
129 HD22 ASN 17 HD22 ASN 17 9.876 4.211 3.352
130 H TRP 18 HN TRP 18 15.291 6.265 1.979
131 HA TRP 18 HA TRP 18 14.569 7.558 4.342
132 HB2 TRP 18 HB1 TRP 18 16.902 6.938 3.606
133 HB3 TRP 18 HB2 TRP 18 16.873 8.351 2.555
134 HD1 TRP 18 HD1 TRP 18 16.257 7.683 6.341
135 HE1 TRP 18 HE1 TRP 18 17.343 9.607 7.662
136 HE3 TRP 18 HE3 TRP 18 18.008 10.467 2.427
137 HZ2 TRP 18 HZ2 TRP 18 18.754 11.990 7.116
138 HZ3 TRP 18 HZ3 TRP 18 19.215 12.556 2.912
139 HH2 TRP 18 HH2 TRP 18 19.579 13.300 5.209
140 H GLY 19 HN GLY 19 15.079 8.933 1.094
141 HA2 GLY 19 HA1 GLY 19 14.506 11.596 1.750
142 HA3 GLY 19 HA2 GLY 19 14.343 10.890 0.149
143 H GLU 20 HN GLU 20 12.352 9.000 0.655
144 HA GLU 20 HA GLU 20 10.037 10.604 0.452
145 HB2 GLU 20 HB1 GLU 20 10.570 7.669 0.617
146 HB3 GLU 20 HB2 GLU 20 8.922 8.241 0.831
147 HG2 GLU 20 HG1 GLU 20 9.351 9.531 -1.375
148 HG3 GLU 20 HG2 GLU 20 10.672 8.382 -1.582
149 H ALA 21 HN ALA 21 11.389 8.676 3.083
150 HA ALA 21 HA ALA 21 9.216 8.958 4.865
151 HB1 ALA 21 HB1 ALA 21 11.829 8.742 6.142
152 HB2 ALA 21 HB2 ALA 21 10.436 7.662 6.215
153 HB3 ALA 21 HB3 ALA 21 11.569 7.551 4.868
154 H PHE 22 HN PHE 22 12.082 10.912 4.254
155 HA PHE 22 HA PHE 22 11.839 12.628 6.477
156 HB2 PHE 22 HB1 PHE 22 13.855 12.369 4.963
157 HB3 PHE 22 HB2 PHE 22 13.007 13.377 3.795
158 HD1 PHE 22 HD2 PHE 22 13.986 13.401 7.394
159 HD2 PHE 22 HD1 PHE 22 13.419 15.633 3.815
160 HE1 PHE 22 HE2 PHE 22 14.844 15.414 8.519
161 HE2 PHE 22 HE1 PHE 22 14.277 17.650 4.933
162 HZ PHE 22 HZ PHE 22 14.989 17.543 7.288
163 H SER 23 HN SER 23 10.614 12.860 3.161
164 HA SER 23 HA SER 23 9.542 15.420 3.263
165 HB2 SER 23 HB1 SER 23 9.468 14.557 1.129
166 HB3 SER 23 HB2 SER 23 8.946 12.964 1.676
167 HG SER 23 HG SER 23 6.950 13.564 1.435
168 H ALA 24 HN ALA 24 8.223 12.367 4.411
169 HA ALA 24 HA ALA 24 5.598 13.196 4.927
170 HB1 ALA 24 HB1 ALA 24 7.056 10.864 5.254
171 HB2 ALA 24 HB2 ALA 24 6.576 11.307 6.893
172 HB3 ALA 24 HB3 ALA 24 5.351 11.102 5.641
173 H GLY 25 HN GLY 25 8.553 13.524 6.811
174 HA2 GLY 25 HA1 GLY 25 7.267 14.410 9.202
175 HA3 GLY 25 HA2 GLY 25 8.977 14.560 8.825
176 H VAL 26 HN VAL 26 9.010 16.134 6.619
177 HA VAL 26 HA VAL 26 8.747 18.709 7.653
178 HB VAL 26 HB VAL 26 8.813 17.885 4.746
179 HG11 VAL 26 HG11 VAL 26 8.305 20.060 4.455
180 HG12 VAL 26 HG12 VAL 26 8.783 20.501 6.096
181 HG13 VAL 26 HG13 VAL 26 10.008 20.305 4.841
182 HG21 VAL 26 HG21 VAL 26 10.719 17.039 6.025
183 HG22 VAL 26 HG22 VAL 26 11.216 18.298 4.895
184 HG23 VAL 26 HG23 VAL 26 11.052 18.668 6.612
185 H HIS 27 HN HIS 27 6.486 16.733 5.856
186 HA HIS 27 HA HIS 27 4.660 18.746 5.124
187 HB2 HIS 27 HB1 HIS 27 4.666 16.446 4.184
188 HB3 HIS 27 HB2 HIS 27 4.071 15.840 5.727
189 HD1 HIS 27 HD1 HIS 27 1.630 16.719 6.429
190 HD2 HIS 27 HD2 HIS 27 2.731 17.324 2.469
191 HE1 HIS 27 HE1 HIS 27 -0.513 17.195 5.201
192 H ARG 28 HN ARG 28 4.874 16.690 8.000
193 HA ARG 28 HA ARG 28 2.486 17.651 9.200
194 HB2 ARG 28 HB1 ARG 28 3.611 15.491 9.770
195 HB3 ARG 28 HB2 ARG 28 4.878 16.412 10.568
196 HG2 ARG 28 HG1 ARG 28 3.567 15.908 12.358
197 HG3 ARG 28 HG2 ARG 28 2.841 17.443 11.878
198 HD2 ARG 28 HD1 ARG 28 1.066 16.317 10.731
199 HD3 ARG 28 HD2 ARG 28 1.846 14.752 10.958
200 HE ARG 28 HE ARG 28 1.260 16.094 13.424
201 HH11 ARG 28 HH11 ARG 28 -0.026 14.042 10.924
202 HH12 ARG 28 HH12 ARG 28 -1.237 13.338 11.943
203 HH21 ARG 28 HH21 ARG 28 -0.330 15.175 14.776
204 HH22 ARG 28 HH22 ARG 28 -1.410 13.984 14.134
205 H LEU 29 HN LEU 29 5.753 18.805 9.081
206 HA LEU 29 HA LEU 29 5.680 20.483 11.361
207 HB2 LEU 29 HB1 LEU 29 7.653 19.677 9.808
208 HB3 LEU 29 HB2 LEU 29 7.316 21.195 8.979
209 HG LEU 29 HG LEU 29 8.142 20.867 11.862
210 HD11 LEU 29 HD11 LEU 29 10.070 22.317 10.930
211 HD12 LEU 29 HD12 LEU 29 9.557 21.696 9.362
212 HD13 LEU 29 HD13 LEU 29 10.075 20.580 10.624
213 HD21 LEU 29 HD21 LEU 29 7.456 23.337 10.273
214 HD22 LEU 29 HD22 LEU 29 8.246 23.344 11.850
215 HD23 LEU 29 HD23 LEU 29 6.607 22.712 11.688
216 H ALA 30 HN ALA 30 5.303 21.225 7.894
217 HA ALA 30 HA ALA 30 4.665 23.935 8.210
218 HB1 ALA 30 HB1 ALA 30 4.988 22.192 6.079
219 HB2 ALA 30 HB2 ALA 30 3.316 22.738 5.947
220 HB3 ALA 30 HB3 ALA 30 4.627 23.916 5.986
221 H ASN 31 HN ASN 31 2.765 21.073 8.647
222 HA ASN 31 HA ASN 31 0.230 22.460 8.536
223 HB2 ASN 31 HB1 ASN 31 1.070 19.633 9.110
224 HB3 ASN 31 HB2 ASN 31 -0.567 20.168 9.480
225 HD21 ASN 31 HD21 ASN 31 -1.559 18.897 7.970
226 HD22 ASN 31 HD22 ASN 31 -1.400 19.148 6.268
227 H GLY 32 HN GLY 32 2.317 21.033 11.025
228 HA2 GLY 32 HA1 GLY 32 2.035 22.818 13.014
229 HA3 GLY 32 HA2 GLY 32 0.543 21.899 13.150
230 H GLY 33 HN GLY 33 3.585 22.160 14.339
231 HA2 GLY 33 HA1 GLY 33 3.970 19.283 14.754
232 HA3 GLY 33 HA2 GLY 33 5.145 20.542 15.103
233 H ASN 34 HN ASN 34 2.033 19.216 16.165
234 HA ASN 34 HA ASN 34 2.842 19.704 18.930
235 HB2 ASN 34 HB1 ASN 34 0.089 20.471 17.950
236 HB3 ASN 34 HB2 ASN 34 0.781 20.761 19.543
237 HD21 ASN 34 HD21 ASN 34 1.592 22.693 19.899
238 HD22 ASN 34 HD22 ASN 34 2.082 23.828 18.691
239 H GLY 35 HN GLY 35 2.922 17.656 19.637
240 HA2 GLY 35 HA1 GLY 35 0.451 16.134 19.700
241 HA3 GLY 35 HA2 GLY 35 1.757 15.393 18.788
242 H PHE 36 HN PHE 36 1.943 13.639 20.179
243 HA PHE 36 HA PHE 36 2.493 14.108 22.989
244 HB2 PHE 36 HB1 PHE 36 2.566 11.481 21.498
245 HB3 PHE 36 HB2 PHE 36 2.431 11.718 23.237
246 HD1 PHE 36 HD1 PHE 36 0.342 13.108 24.006
247 HD2 PHE 36 HD2 PHE 36 0.660 11.073 20.281
248 HE1 PHE 36 HE1 PHE 36 -2.112 13.068 23.822
249 HE2 PHE 36 HE2 PHE 36 -1.792 11.031 20.091
250 HZ PHE 36 HZ PHE 36 -3.181 12.030 21.862
251 H TRP 37 HN TRP 37 4.426 13.659 24.031
252 HA TRP 37 HA TRP 37 6.732 12.872 22.429
253 HB2 TRP 37 HB1 TRP 37 6.369 15.474 22.536
254 HB3 TRP 37 HB2 TRP 37 7.038 15.299 24.156
255 HD1 TRP 37 HD1 TRP 37 8.157 13.689 20.798
256 HE1 TRP 37 HE1 TRP 37 10.668 14.167 20.496
257 HE3 TRP 37 HE3 TRP 37 8.953 16.515 24.983
258 HZ2 TRP 37 HZ2 TRP 37 12.715 15.557 21.854
259 HZ3 TRP 37 HZ3 TRP 37 11.217 17.380 25.409
260 HH2 TRP 37 HH2 TRP 37 13.058 16.910 23.876
Start of MODEL 17
1 H1 LYS 1 HN LYS 1 1.143 3.983 7.574
2 HA LYS 1 HA LYS 1 1.340 3.280 4.902
3 HB2 LYS 1 HB1 LYS 1 2.795 4.864 6.414
4 HB3 LYS 1 HB2 LYS 1 3.813 3.440 6.582
5 HG2 LYS 1 HG1 LYS 1 4.561 3.555 4.458
6 HG3 LYS 1 HG2 LYS 1 3.022 4.153 3.831
7 HD2 LYS 1 HD1 LYS 1 3.743 6.278 5.286
8 HD3 LYS 1 HD2 LYS 1 5.346 5.638 4.915
9 HE2 LYS 1 HE1 LYS 1 4.702 7.248 3.232
10 HE3 LYS 1 HE2 LYS 1 4.759 5.636 2.520
11 HZ1 LYS 1 HZ1 LYS 1 2.222 6.740 3.543
12 HZ2 LYS 1 HZ2 LYS 1 2.463 5.522 2.396
13 HZ3 LYS 1 HZ3 LYS 1 2.769 7.135 1.992
14 H TYR 2 HN TYR 2 0.370 0.986 5.780
15 HA TYR 2 HA TYR 2 2.487 -0.934 6.265
16 HB2 TYR 2 HB1 TYR 2 0.016 -0.935 7.173
17 HB3 TYR 2 HB2 TYR 2 -0.329 -1.734 5.644
18 HD1 TYR 2 HD2 TYR 2 1.947 -1.971 8.591
19 HD2 TYR 2 HD1 TYR 2 -0.107 -4.039 5.491
20 HE1 TYR 2 HE2 TYR 2 2.658 -4.117 9.559
21 HE2 TYR 2 HE1 TYR 2 0.597 -6.191 6.452
22 HH TYR 2 HH TYR 2 2.339 -7.079 7.900
23 H TYR 3 HN TYR 3 3.250 0.075 4.011
24 HA TYR 3 HA TYR 3 2.833 -2.050 2.092
25 HB2 TYR 3 HB1 TYR 3 1.830 0.727 1.674
26 HB3 TYR 3 HB2 TYR 3 2.544 -0.109 0.300
27 HD1 TYR 3 HD2 TYR 3 1.645 -2.631 0.036
28 HD2 TYR 3 HD1 TYR 3 -0.450 0.547 1.935
29 HE1 TYR 3 HE2 TYR 3 -0.480 -3.803 -0.362
30 HE2 TYR 3 HE1 TYR 3 -2.582 -0.616 1.544
31 HH TYR 3 HH TYR 3 -3.412 -2.395 -0.214
32 H GLY 4 HN GLY 4 4.837 -2.627 1.591
33 HA2 GLY 4 HA1 GLY 4 6.702 -0.681 0.559
34 HA3 GLY 4 HA2 GLY 4 7.185 -1.372 2.101
35 H ASN 5 HN ASN 5 8.159 -3.319 2.135
36 HA ASN 5 HA ASN 5 9.346 -5.086 1.312
37 HB2 ASN 5 HB1 ASN 5 6.680 -5.393 -0.063
38 HB3 ASN 5 HB2 ASN 5 7.961 -6.591 -0.227
39 HD21 ASN 5 HD21 ASN 5 5.254 -5.825 1.438
40 HD22 ASN 5 HD22 ASN 5 5.531 -6.729 2.884
41 H GLY 6 HN GLY 6 9.899 -2.638 0.009
42 HA2 GLY 6 HA1 GLY 6 9.955 -3.059 -2.836
43 HA3 GLY 6 HA2 GLY 6 10.726 -1.745 -1.959
44 H VAL 7 HN VAL 7 11.050 -5.135 -2.882
45 HA VAL 7 HA VAL 7 13.697 -5.470 -1.939
46 HB VAL 7 HB VAL 7 13.776 -7.437 -3.451
47 HG11 VAL 7 HG11 VAL 7 11.970 -8.687 -2.354
48 HG12 VAL 7 HG12 VAL 7 12.841 -7.656 -1.217
49 HG13 VAL 7 HG13 VAL 7 11.255 -7.168 -1.816
50 HG21 VAL 7 HG21 VAL 7 11.394 -6.099 -4.565
51 HG22 VAL 7 HG22 VAL 7 12.593 -7.126 -5.352
52 HG23 VAL 7 HG23 VAL 7 11.296 -7.852 -4.404
53 H HIS 8 HN HIS 8 12.355 -4.475 -5.052
54 HA HIS 8 HA HIS 8 14.870 -4.389 -6.397
55 HB2 HIS 8 HB1 HIS 8 12.143 -3.276 -7.034
56 HB3 HIS 8 HB2 HIS 8 13.534 -2.990 -8.075
57 HD1 HIS 8 HD1 HIS 8 14.300 -4.902 -9.567
58 HD2 HIS 8 HD2 HIS 8 11.238 -5.969 -6.969
59 HE1 HIS 8 HE1 HIS 8 13.519 -7.164 -10.341
60 H LEU 9 HN LEU 9 12.995 -2.123 -4.513
61 HA LEU 9 HA LEU 9 14.269 0.256 -5.296
62 HB2 LEU 9 HB1 LEU 9 12.294 0.540 -4.110
63 HB3 LEU 9 HB2 LEU 9 12.767 -0.606 -2.858
64 HG LEU 9 HG LEU 9 14.344 1.899 -3.087
65 HD11 LEU 9 HD11 LEU 9 11.976 2.611 -3.330
66 HD12 LEU 9 HD12 LEU 9 12.749 3.196 -1.857
67 HD13 LEU 9 HD13 LEU 9 11.629 1.836 -1.784
68 HD21 LEU 9 HD21 LEU 9 15.144 0.970 -1.231
69 HD22 LEU 9 HD22 LEU 9 13.839 -0.216 -1.178
70 HD23 LEU 9 HD23 LEU 9 13.610 1.379 -0.462
71 H THR 10 HN THR 10 15.308 -2.348 -3.302
72 HA THR 10 HA THR 10 17.227 -0.961 -1.739
73 HB THR 10 HB THR 10 17.291 -3.877 -2.534
74 HG1 THR 10 HG1 THR 10 15.758 -2.458 -0.654
75 HG21 THR 10 HG21 THR 10 18.963 -4.147 -1.061
76 HG22 THR 10 HG22 THR 10 18.203 -3.088 0.128
77 HG23 THR 10 HG23 THR 10 19.168 -2.399 -1.177
78 H LYS 11 HN LYS 11 17.736 -3.195 -4.478
79 HA LYS 11 HA LYS 11 20.440 -2.407 -4.851
80 HB2 LYS 11 HB1 LYS 11 18.495 -3.991 -6.517
81 HB3 LYS 11 HB2 LYS 11 20.120 -3.631 -7.087
82 HG2 LYS 11 HG1 LYS 11 21.079 -4.806 -5.206
83 HG3 LYS 11 HG2 LYS 11 19.472 -5.095 -4.536
84 HD2 LYS 11 HD1 LYS 11 18.973 -6.265 -6.768
85 HD3 LYS 11 HD2 LYS 11 20.722 -6.265 -7.003
86 HE2 LYS 11 HE1 LYS 11 20.801 -7.315 -4.643
87 HE3 LYS 11 HE2 LYS 11 19.094 -7.663 -4.911
88 HZ1 LYS 11 HZ1 LYS 11 21.289 -8.517 -6.718
89 HZ2 LYS 11 HZ2 LYS 11 19.655 -8.930 -6.854
90 HZ3 LYS 11 HZ3 LYS 11 20.567 -9.506 -5.551
91 H SER 12 HN SER 12 17.394 -1.275 -6.092
92 HA SER 12 HA SER 12 18.331 0.102 -8.364
93 HB2 SER 12 HB1 SER 12 15.885 0.317 -6.640
94 HB3 SER 12 HB2 SER 12 16.196 1.541 -7.871
95 HG SER 12 HG SER 12 15.054 0.025 -8.925
96 H GLY 13 HN GLY 13 18.460 0.827 -4.984
97 HA2 GLY 13 HA1 GLY 13 20.392 2.627 -4.852
98 HA3 GLY 13 HA2 GLY 13 19.091 3.638 -5.463
99 H LEU 14 HN LEU 14 19.500 1.167 -2.920
100 HA LEU 14 HA LEU 14 17.512 2.098 -1.220
101 HB2 LEU 14 HB1 LEU 14 18.400 0.700 0.412
102 HB3 LEU 14 HB2 LEU 14 18.876 -0.058 -1.106
103 HG LEU 14 HG LEU 14 20.697 1.684 0.549
104 HD11 LEU 14 HD11 LEU 14 19.949 -1.137 0.814
105 HD12 LEU 14 HD12 LEU 14 20.700 -0.043 1.976
106 HD13 LEU 14 HD13 LEU 14 21.686 -0.837 0.748
107 HD21 LEU 14 HD21 LEU 14 20.934 0.195 -2.000
108 HD22 LEU 14 HD22 LEU 14 22.314 0.142 -0.904
109 HD23 LEU 14 HD23 LEU 14 21.707 1.693 -1.484
110 H SER 15 HN SER 15 20.695 3.327 -1.805
111 HA SER 15 HA SER 15 20.949 4.846 0.591
112 HB2 SER 15 HB1 SER 15 22.820 5.944 -0.534
113 HB3 SER 15 HB2 SER 15 22.892 4.203 -0.801
114 HG SER 15 HG SER 15 22.385 6.263 -2.596
115 H VAL 16 HN VAL 16 20.162 5.777 -2.759
116 HA VAL 16 HA VAL 16 19.516 8.463 -2.095
117 HB VAL 16 HB VAL 16 20.181 7.781 -4.369
118 HG11 VAL 16 HG11 VAL 16 19.065 5.649 -4.526
119 HG12 VAL 16 HG12 VAL 16 17.486 6.428 -4.413
120 HG13 VAL 16 HG13 VAL 16 18.503 6.695 -5.829
121 HG21 VAL 16 HG21 VAL 16 18.233 9.623 -3.634
122 HG22 VAL 16 HG22 VAL 16 19.138 9.590 -5.147
123 HG23 VAL 16 HG23 VAL 16 17.562 8.805 -5.045
124 H ASN 17 HN ASN 17 17.708 5.485 -2.179
125 HA ASN 17 HA ASN 17 15.115 6.662 -2.181
126 HB2 ASN 17 HB1 ASN 17 16.236 3.940 -1.759
127 HB3 ASN 17 HB2 ASN 17 14.628 4.254 -1.113
128 HD21 ASN 17 HD21 ASN 17 16.454 3.520 -3.857
129 HD22 ASN 17 HD22 ASN 17 15.191 3.638 -5.031
130 H TRP 18 HN TRP 18 17.476 5.987 0.262
131 HA TRP 18 HA TRP 18 15.825 5.907 2.530
132 HB2 TRP 18 HB1 TRP 18 18.236 5.279 2.494
133 HB3 TRP 18 HB2 TRP 18 18.646 6.987 2.358
134 HD1 TRP 18 HD1 TRP 18 17.925 8.551 4.529
135 HE1 TRP 18 HE1 TRP 18 17.874 7.935 7.027
136 HE3 TRP 18 HE3 TRP 18 17.857 3.457 4.107
137 HZ2 TRP 18 HZ2 TRP 18 17.813 5.598 8.610
138 HZ3 TRP 18 HZ3 TRP 18 17.803 2.104 6.161
139 HH2 TRP 18 HH2 TRP 18 17.782 3.154 8.365
140 H GLY 19 HN GLY 19 17.638 8.656 1.150
141 HA2 GLY 19 HA1 GLY 19 16.729 10.615 2.910
142 HA3 GLY 19 HA2 GLY 19 17.260 10.917 1.262
143 H GLU 20 HN GLU 20 15.286 9.480 -0.120
144 HA GLU 20 HA GLU 20 13.231 11.399 -0.246
145 HB2 GLU 20 HB1 GLU 20 13.454 8.610 -1.373
146 HB3 GLU 20 HB2 GLU 20 12.083 9.661 -1.699
147 HG2 GLU 20 HG1 GLU 20 14.859 10.615 -2.238
148 HG3 GLU 20 HG2 GLU 20 14.048 9.545 -3.380
149 H ALA 21 HN ALA 21 13.464 8.285 1.371
150 HA ALA 21 HA ALA 21 10.730 8.071 2.089
151 HB1 ALA 21 HB1 ALA 21 12.691 6.826 3.893
152 HB2 ALA 21 HB2 ALA 21 11.319 6.118 3.040
153 HB3 ALA 21 HB3 ALA 21 12.842 6.384 2.192
154 H PHE 22 HN PHE 22 13.487 9.671 3.529
155 HA PHE 22 HA PHE 22 12.351 10.105 6.091
156 HB2 PHE 22 HB1 PHE 22 14.815 10.290 5.392
157 HB3 PHE 22 HB2 PHE 22 14.402 11.895 4.800
158 HD1 PHE 22 HD2 PHE 22 13.952 9.827 7.874
159 HD2 PHE 22 HD1 PHE 22 14.761 13.661 6.213
160 HE1 PHE 22 HE2 PHE 22 14.268 10.737 10.138
161 HE2 PHE 22 HE1 PHE 22 15.079 14.577 8.474
162 HZ PHE 22 HZ PHE 22 14.831 13.115 10.440
163 H SER 23 HN SER 23 12.719 12.260 3.276
164 HA SER 23 HA SER 23 11.433 14.490 4.285
165 HB2 SER 23 HB1 SER 23 12.663 14.232 2.057
166 HB3 SER 23 HB2 SER 23 11.146 13.600 1.416
167 HG SER 23 HG SER 23 10.962 15.713 1.035
168 H ALA 24 HN ALA 24 10.089 11.498 3.126
169 HA ALA 24 HA ALA 24 7.471 12.232 2.572
170 HB1 ALA 24 HB1 ALA 24 8.889 9.842 2.821
171 HB2 ALA 24 HB2 ALA 24 7.543 9.705 3.953
172 HB3 ALA 24 HB3 ALA 24 7.232 10.047 2.251
173 H GLY 25 HN GLY 25 9.076 11.793 5.653
174 HA2 GLY 25 HA1 GLY 25 6.631 11.843 7.183
175 HA3 GLY 25 HA2 GLY 25 8.267 11.891 7.824
176 H VAL 26 HN VAL 26 9.197 14.151 6.407
177 HA VAL 26 HA VAL 26 8.455 16.220 8.112
178 HB VAL 26 HB VAL 26 9.629 16.454 5.337
179 HG11 VAL 26 HG11 VAL 26 9.146 18.631 5.694
180 HG12 VAL 26 HG12 VAL 26 9.015 18.428 7.442
181 HG13 VAL 26 HG13 VAL 26 10.603 18.567 6.685
182 HG21 VAL 26 HG21 VAL 26 10.705 15.501 7.838
183 HG22 VAL 26 HG22 VAL 26 11.431 15.498 6.230
184 HG23 VAL 26 HG23 VAL 26 11.589 16.916 7.267
185 H HIS 27 HN HIS 27 7.137 15.254 5.008
186 HA HIS 27 HA HIS 27 5.603 17.566 4.500
187 HB2 HIS 27 HB1 HIS 27 6.176 15.646 2.898
188 HB3 HIS 27 HB2 HIS 27 4.825 14.787 3.632
189 HD1 HIS 27 HD1 HIS 27 5.079 18.407 2.483
190 HD2 HIS 27 HD2 HIS 27 2.829 14.978 1.820
191 HE1 HIS 27 HE1 HIS 27 3.260 19.094 0.888
192 H ARG 28 HN ARG 28 4.871 14.552 6.203
193 HA ARG 28 HA ARG 28 2.138 15.101 6.665
194 HB2 ARG 28 HB1 ARG 28 3.573 12.897 6.945
195 HB3 ARG 28 HB2 ARG 28 3.720 13.470 8.601
196 HG2 ARG 28 HG1 ARG 28 1.236 13.583 8.713
197 HG3 ARG 28 HG2 ARG 28 1.183 12.826 7.120
198 HD2 ARG 28 HD1 ARG 28 2.355 10.879 7.987
199 HD3 ARG 28 HD2 ARG 28 2.482 11.642 9.571
200 HE ARG 28 HE ARG 28 0.299 11.074 9.989
201 HH11 ARG 28 HH11 ARG 28 0.979 10.653 6.601
202 HH12 ARG 28 HH12 ARG 28 -0.520 9.850 6.267
203 HH21 ARG 28 HH21 ARG 28 -1.677 10.018 9.562
204 HH22 ARG 28 HH22 ARG 28 -2.030 9.490 7.951
205 H LEU 29 HN LEU 29 5.074 15.875 8.439
206 HA LEU 29 HA LEU 29 3.843 16.764 10.818
207 HB2 LEU 29 HB1 LEU 29 6.506 17.117 9.542
208 HB3 LEU 29 HB2 LEU 29 6.070 18.183 10.876
209 HG LEU 29 HG LEU 29 5.854 15.216 11.200
210 HD11 LEU 29 HD11 LEU 29 8.373 16.850 11.471
211 HD12 LEU 29 HD12 LEU 29 8.085 15.535 10.332
212 HD13 LEU 29 HD13 LEU 29 8.162 15.201 12.062
213 HD21 LEU 29 HD21 LEU 29 6.536 17.432 13.128
214 HD22 LEU 29 HD22 LEU 29 6.212 15.744 13.523
215 HD23 LEU 29 HD23 LEU 29 4.920 16.766 12.890
216 H ALA 30 HN ALA 30 4.814 18.453 7.861
217 HA ALA 30 HA ALA 30 4.166 21.056 8.737
218 HB1 ALA 30 HB1 ALA 30 5.413 20.065 6.562
219 HB2 ALA 30 HB2 ALA 30 3.849 20.490 5.865
220 HB3 ALA 30 HB3 ALA 30 4.813 21.719 6.684
221 H ASN 31 HN ASN 31 2.237 18.432 7.552
222 HA ASN 31 HA ASN 31 -0.052 20.090 6.944
223 HB2 ASN 31 HB1 ASN 31 0.161 17.076 7.128
224 HB3 ASN 31 HB2 ASN 31 -1.188 17.980 6.446
225 HD21 ASN 31 HD21 ASN 31 0.157 16.045 5.017
226 HD22 ASN 31 HD22 ASN 31 1.019 16.793 3.720
227 H GLY 32 HN GLY 32 1.185 18.282 9.634
228 HA2 GLY 32 HA1 GLY 32 0.384 18.927 11.844
229 HA3 GLY 32 HA2 GLY 32 -1.233 19.016 11.161
230 H GLY 33 HN GLY 33 0.612 17.248 13.155
231 HA2 GLY 33 HA1 GLY 33 -1.080 14.895 12.782
232 HA3 GLY 33 HA2 GLY 33 0.658 14.646 12.698
233 H ASN 34 HN ASN 34 1.907 15.505 14.614
234 HA ASN 34 HA ASN 34 0.504 14.675 17.042
235 HB2 ASN 34 HB1 ASN 34 3.449 15.060 16.468
236 HB3 ASN 34 HB2 ASN 34 2.796 14.561 18.025
237 HD21 ASN 34 HD21 ASN 34 3.651 13.600 14.856
238 HD22 ASN 34 HD22 ASN 34 3.272 11.923 15.019
239 H GLY 35 HN GLY 35 -0.637 16.847 16.840
240 HA2 GLY 35 HA1 GLY 35 1.006 19.043 17.901
241 HA3 GLY 35 HA2 GLY 35 -0.570 19.221 17.144
242 H PHE 36 HN PHE 36 1.145 18.687 20.076
243 HA PHE 36 HA PHE 36 -1.274 18.108 21.588
244 HB2 PHE 36 HB1 PHE 36 1.653 18.171 22.238
245 HB3 PHE 36 HB2 PHE 36 0.464 18.229 23.535
246 HD1 PHE 36 HD1 PHE 36 1.600 16.222 20.638
247 HD2 PHE 36 HD2 PHE 36 -0.588 16.281 24.288
248 HE1 PHE 36 HE1 PHE 36 1.400 13.771 20.554
249 HE2 PHE 36 HE2 PHE 36 -0.791 13.831 24.210
250 HZ PHE 36 HZ PHE 36 0.204 12.572 22.342
251 H TRP 37 HN TRP 37 1.008 20.716 21.056
252 HA TRP 37 HA TRP 37 -0.348 22.404 23.015
253 HB2 TRP 37 HB1 TRP 37 1.450 24.018 22.566
254 HB3 TRP 37 HB2 TRP 37 2.102 22.436 22.983
255 HD1 TRP 37 HD1 TRP 37 3.504 21.164 21.142
256 HE1 TRP 37 HE1 TRP 37 4.477 21.881 18.870
257 HE3 TRP 37 HE3 TRP 37 0.941 25.541 20.506
258 HZ2 TRP 37 HZ2 TRP 37 4.196 24.019 17.049
259 HZ3 TRP 37 HZ3 TRP 37 1.351 26.863 18.472
260 HH2 TRP 37 HH2 TRP 37 2.946 26.117 16.781
Start of MODEL 18
1 H1 LYS 1 HN LYS 1 0.171 -12.321 -5.614
2 HA LYS 1 HA LYS 1 -1.282 -11.189 -3.420
3 HB2 LYS 1 HB1 LYS 1 0.412 -13.693 -3.506
4 HB3 LYS 1 HB2 LYS 1 -0.760 -13.277 -2.262
5 HG2 LYS 1 HG1 LYS 1 -1.359 -13.858 -5.155
6 HG3 LYS 1 HG2 LYS 1 -1.685 -14.914 -3.778
7 HD2 LYS 1 HD1 LYS 1 -3.194 -13.187 -2.857
8 HD3 LYS 1 HD2 LYS 1 -2.910 -12.203 -4.295
9 HE2 LYS 1 HE1 LYS 1 -3.760 -14.135 -5.657
10 HE3 LYS 1 HE2 LYS 1 -4.231 -14.908 -4.144
11 HZ1 LYS 1 HZ1 LYS 1 -6.046 -13.670 -5.250
12 HZ2 LYS 1 HZ2 LYS 1 -5.185 -12.234 -5.010
13 HZ3 LYS 1 HZ3 LYS 1 -5.728 -13.126 -3.679
14 H TYR 2 HN TYR 2 2.057 -11.409 -4.340
15 HA TYR 2 HA TYR 2 3.038 -10.725 -1.702
16 HB2 TYR 2 HB1 TYR 2 4.188 -12.161 -3.600
17 HB3 TYR 2 HB2 TYR 2 4.760 -10.587 -4.139
18 HD1 TYR 2 HD1 TYR 2 6.197 -9.218 -2.638
19 HD2 TYR 2 HD2 TYR 2 5.112 -13.217 -1.676
20 HE1 TYR 2 HE1 TYR 2 8.018 -9.308 -0.988
21 HE2 TYR 2 HE2 TYR 2 6.929 -13.319 -0.022
22 HH TYR 2 HH TYR 2 9.054 -12.217 0.448
23 H TYR 3 HN TYR 3 3.922 -8.773 -1.088
24 HA TYR 3 HA TYR 3 3.964 -6.557 -2.969
25 HB2 TYR 3 HB1 TYR 3 1.630 -6.793 -1.836
26 HB3 TYR 3 HB2 TYR 3 2.443 -6.154 -0.411
27 HD1 TYR 3 HD1 TYR 3 3.701 -3.917 -0.692
28 HD2 TYR 3 HD2 TYR 3 0.789 -5.337 -3.450
29 HE1 TYR 3 HE1 TYR 3 3.393 -1.628 -1.536
30 HE2 TYR 3 HE2 TYR 3 0.473 -3.052 -4.303
31 HH TYR 3 HH TYR 3 1.260 -0.403 -2.795
32 H GLY 4 HN GLY 4 6.052 -6.030 -2.688
33 HA2 GLY 4 HA1 GLY 4 7.169 -4.427 -0.969
34 HA3 GLY 4 HA2 GLY 4 7.117 -5.862 0.044
35 H ASN 5 HN ASN 5 9.372 -5.940 0.215
36 HA ASN 5 HA ASN 5 11.516 -6.436 -0.388
37 HB2 ASN 5 HB1 ASN 5 9.862 -8.277 -2.100
38 HB3 ASN 5 HB2 ASN 5 11.622 -8.313 -2.169
39 HD21 ASN 5 HD21 ASN 5 11.171 -10.552 -1.455
40 HD22 ASN 5 HD22 ASN 5 11.056 -10.849 0.243
41 H GLY 6 HN GLY 6 11.057 -4.065 -1.381
42 HA2 GLY 6 HA1 GLY 6 11.196 -3.854 -4.220
43 HA3 GLY 6 HA2 GLY 6 11.510 -2.565 -3.067
44 H VAL 7 HN VAL 7 12.934 -5.331 -4.721
45 HA VAL 7 HA VAL 7 15.581 -4.941 -3.801
46 HB VAL 7 HB VAL 7 16.253 -6.353 -5.721
47 HG11 VAL 7 HG11 VAL 7 15.381 -7.278 -3.556
48 HG12 VAL 7 HG12 VAL 7 13.818 -7.477 -4.351
49 HG13 VAL 7 HG13 VAL 7 15.229 -8.354 -4.944
50 HG21 VAL 7 HG21 VAL 7 14.881 -5.833 -7.502
51 HG22 VAL 7 HG22 VAL 7 14.201 -7.370 -6.968
52 HG23 VAL 7 HG23 VAL 7 13.417 -5.856 -6.519
53 H HIS 8 HN HIS 8 13.817 -3.766 -6.627
54 HA HIS 8 HA HIS 8 16.077 -2.510 -7.833
55 HB2 HIS 8 HB1 HIS 8 13.786 -3.235 -8.879
56 HB3 HIS 8 HB2 HIS 8 13.262 -1.632 -8.369
57 HD1 HIS 8 HD1 HIS 8 16.365 -0.610 -9.075
58 HD2 HIS 8 HD2 HIS 8 13.482 -2.274 -11.561
59 HE1 HIS 8 HE1 HIS 8 16.972 0.133 -11.399
60 H LEU 9 HN LEU 9 13.627 -1.525 -5.540
61 HA LEU 9 HA LEU 9 13.998 1.258 -5.689
62 HB2 LEU 9 HB1 LEU 9 12.084 0.589 -4.564
63 HB3 LEU 9 HB2 LEU 9 12.950 -0.607 -3.601
64 HG LEU 9 HG LEU 9 13.602 2.254 -3.145
65 HD11 LEU 9 HD11 LEU 9 10.944 1.511 -3.210
66 HD12 LEU 9 HD12 LEU 9 11.622 2.898 -2.359
67 HD13 LEU 9 HD13 LEU 9 11.376 1.375 -1.505
68 HD21 LEU 9 HD21 LEU 9 14.725 1.222 -1.526
69 HD22 LEU 9 HD22 LEU 9 13.895 -0.305 -1.828
70 HD23 LEU 9 HD23 LEU 9 13.169 0.898 -0.761
71 H THR 10 HN THR 10 15.923 -1.239 -4.318
72 HA THR 10 HA THR 10 17.314 0.293 -2.378
73 HB THR 10 HB THR 10 18.357 -2.139 -3.837
74 HG1 THR 10 HG1 THR 10 16.388 -2.702 -2.936
75 HG21 THR 10 HG21 THR 10 20.076 -2.092 -2.413
76 HG22 THR 10 HG22 THR 10 19.004 -1.882 -1.029
77 HG23 THR 10 HG23 THR 10 19.549 -0.477 -1.944
78 H LYS 11 HN LYS 11 18.452 -0.912 -5.541
79 HA LYS 11 HA LYS 11 20.714 0.808 -5.582
80 HB2 LYS 11 HB1 LYS 11 19.396 -1.021 -7.545
81 HB3 LYS 11 HB2 LYS 11 20.588 0.132 -8.130
82 HG2 LYS 11 HG1 LYS 11 21.853 -1.758 -7.741
83 HG3 LYS 11 HG2 LYS 11 22.090 -0.827 -6.260
84 HD2 LYS 11 HD1 LYS 11 20.189 -2.160 -5.264
85 HD3 LYS 11 HD2 LYS 11 20.284 -3.199 -6.688
86 HE2 LYS 11 HE1 LYS 11 22.614 -3.711 -6.161
87 HE3 LYS 11 HE2 LYS 11 22.532 -2.658 -4.750
88 HZ1 LYS 11 HZ1 LYS 11 20.626 -4.158 -4.022
89 HZ2 LYS 11 HZ2 LYS 11 22.193 -4.785 -3.911
90 HZ3 LYS 11 HZ3 LYS 11 21.185 -5.250 -5.188
91 H SER 12 HN SER 12 17.424 1.103 -6.674
92 HA SER 12 HA SER 12 17.758 3.217 -8.506
93 HB2 SER 12 HB1 SER 12 15.694 1.928 -8.431
94 HB3 SER 12 HB2 SER 12 15.371 2.489 -6.791
95 HG SER 12 HG SER 12 14.228 3.874 -7.980
96 H GLY 13 HN GLY 13 17.753 3.112 -5.049
97 HA2 GLY 13 HA1 GLY 13 18.958 5.372 -4.398
98 HA3 GLY 13 HA2 GLY 13 17.371 5.999 -4.819
99 H LEU 14 HN LEU 14 18.690 3.289 -2.907
100 HA LEU 14 HA LEU 14 16.559 3.054 -1.141
101 HB2 LEU 14 HB1 LEU 14 17.934 1.706 0.171
102 HB3 LEU 14 HB2 LEU 14 18.570 1.522 -1.462
103 HG LEU 14 HG LEU 14 19.774 3.368 0.592
104 HD11 LEU 14 HD11 LEU 14 19.744 0.619 0.755
105 HD12 LEU 14 HD12 LEU 14 20.920 1.694 1.511
106 HD13 LEU 14 HD13 LEU 14 21.271 0.964 -0.056
107 HD21 LEU 14 HD21 LEU 14 20.769 2.282 -2.039
108 HD22 LEU 14 HD22 LEU 14 21.727 3.241 -0.910
109 HD23 LEU 14 HD23 LEU 14 20.312 3.949 -1.691
110 H SER 15 HN SER 15 19.092 5.405 -1.269
111 HA SER 15 HA SER 15 18.905 6.300 1.429
112 HB2 SER 15 HB1 SER 15 20.091 8.349 0.506
113 HB3 SER 15 HB2 SER 15 20.917 6.812 0.254
114 HG SER 15 HG SER 15 20.873 7.291 -1.781
115 H VAL 16 HN VAL 16 17.654 7.607 -1.639
116 HA VAL 16 HA VAL 16 16.180 9.704 -0.415
117 HB VAL 16 HB VAL 16 16.874 9.803 -2.768
118 HG11 VAL 16 HG11 VAL 16 14.944 7.516 -3.071
119 HG12 VAL 16 HG12 VAL 16 15.482 8.505 -4.431
120 HG13 VAL 16 HG13 VAL 16 16.652 7.565 -3.503
121 HG21 VAL 16 HG21 VAL 16 13.871 9.847 -2.503
122 HG22 VAL 16 HG22 VAL 16 14.945 11.125 -1.935
123 HG23 VAL 16 HG23 VAL 16 14.848 10.755 -3.656
124 H ASN 17 HN ASN 17 15.538 6.358 -1.018
125 HA ASN 17 HA ASN 17 12.715 6.430 -0.976
126 HB2 ASN 17 HB1 ASN 17 13.638 4.439 -1.801
127 HB3 ASN 17 HB2 ASN 17 14.753 4.285 -0.447
128 HD21 ASN 17 HD21 ASN 17 14.254 2.751 0.924
129 HD22 ASN 17 HD22 ASN 17 12.665 2.173 1.281
130 H TRP 18 HN TRP 18 15.053 5.643 1.597
131 HA TRP 18 HA TRP 18 13.156 5.382 3.653
132 HB2 TRP 18 HB1 TRP 18 15.500 4.557 3.774
133 HB3 TRP 18 HB2 TRP 18 16.050 6.225 3.914
134 HD1 TRP 18 HD1 TRP 18 13.039 4.725 5.811
135 HE1 TRP 18 HE1 TRP 18 13.515 4.898 8.334
136 HE3 TRP 18 HE3 TRP 18 17.827 6.506 5.614
137 HZ2 TRP 18 HZ2 TRP 18 15.638 5.687 10.018
138 HZ3 TRP 18 HZ3 TRP 18 19.010 6.944 7.726
139 HH2 TRP 18 HH2 TRP 18 17.936 6.543 9.882
140 H GLY 19 HN GLY 19 15.288 8.132 2.856
141 HA2 GLY 19 HA1 GLY 19 14.382 9.910 4.785
142 HA3 GLY 19 HA2 GLY 19 15.036 10.384 3.224
143 H GLU 20 HN GLU 20 13.021 9.208 1.601
144 HA GLU 20 HA GLU 20 11.119 11.299 1.606
145 HB2 GLU 20 HB1 GLU 20 11.473 8.762 0.069
146 HB3 GLU 20 HB2 GLU 20 9.935 9.608 -0.039
147 HG2 GLU 20 HG1 GLU 20 12.620 10.820 -0.653
148 HG3 GLU 20 HG2 GLU 20 11.487 10.196 -1.850
149 H ALA 21 HN ALA 21 10.960 7.912 2.622
150 HA ALA 21 HA ALA 21 8.200 7.916 3.260
151 HB1 ALA 21 HB1 ALA 21 9.896 6.086 4.802
152 HB2 ALA 21 HB2 ALA 21 8.508 5.751 3.767
153 HB3 ALA 21 HB3 ALA 21 10.103 5.990 3.053
154 H PHE 22 HN PHE 22 11.108 8.668 5.096
155 HA PHE 22 HA PHE 22 9.862 8.806 7.638
156 HB2 PHE 22 HB1 PHE 22 12.408 8.714 6.938
157 HB3 PHE 22 HB2 PHE 22 12.263 10.467 7.002
158 HD1 PHE 22 HD2 PHE 22 11.427 11.516 9.157
159 HD2 PHE 22 HD1 PHE 22 12.709 7.467 8.881
160 HE1 PHE 22 HE2 PHE 22 11.742 11.453 11.596
161 HE2 PHE 22 HE1 PHE 22 13.025 7.397 11.320
162 HZ PHE 22 HZ PHE 22 12.542 9.393 12.681
163 H SER 23 HN SER 23 10.454 11.166 5.093
164 HA SER 23 HA SER 23 9.876 13.521 6.414
165 HB2 SER 23 HB1 SER 23 9.026 12.862 3.586
166 HB3 SER 23 HB2 SER 23 9.331 14.466 4.254
167 HG SER 23 HG SER 23 11.319 14.176 3.674
168 H ALA 24 HN ALA 24 7.704 11.026 5.292
169 HA ALA 24 HA ALA 24 5.283 12.430 5.390
170 HB1 ALA 24 HB1 ALA 24 6.071 9.816 4.867
171 HB2 ALA 24 HB2 ALA 24 4.980 9.689 6.248
172 HB3 ALA 24 HB3 ALA 24 4.437 10.472 4.764
173 H GLY 25 HN GLY 25 7.055 10.679 7.910
174 HA2 GLY 25 HA1 GLY 25 5.053 11.003 9.911
175 HA3 GLY 25 HA2 GLY 25 6.727 10.545 10.184
176 H VAL 26 HN VAL 26 8.039 12.771 9.165
177 HA VAL 26 HA VAL 26 8.073 14.501 11.333
178 HB VAL 26 HB VAL 26 8.917 15.111 8.496
179 HG11 VAL 26 HG11 VAL 26 9.103 17.189 9.348
180 HG12 VAL 26 HG12 VAL 26 9.090 16.620 11.018
181 HG13 VAL 26 HG13 VAL 26 10.577 16.544 10.071
182 HG21 VAL 26 HG21 VAL 26 9.895 13.166 10.184
183 HG22 VAL 26 HG22 VAL 26 10.755 13.883 8.821
184 HG23 VAL 26 HG23 VAL 26 10.993 14.521 10.448
185 H HIS 27 HN HIS 27 6.150 14.604 8.408
186 HA HIS 27 HA HIS 27 5.246 17.263 8.602
187 HB2 HIS 27 HB1 HIS 27 5.016 15.834 6.578
188 HB3 HIS 27 HB2 HIS 27 3.781 14.898 7.414
189 HD1 HIS 27 HD1 HIS 27 1.676 15.500 6.243
190 HD2 HIS 27 HD2 HIS 27 3.979 18.842 7.132
191 HE1 HIS 27 HE1 HIS 27 0.270 17.479 5.587
192 H ARG 28 HN ARG 28 3.934 14.226 9.868
193 HA ARG 28 HA ARG 28 1.572 15.327 10.953
194 HB2 ARG 28 HB1 ARG 28 2.115 12.868 10.533
195 HB3 ARG 28 HB2 ARG 28 3.016 12.916 12.042
196 HG2 ARG 28 HG1 ARG 28 1.034 13.440 13.281
197 HG3 ARG 28 HG2 ARG 28 0.100 13.612 11.794
198 HD2 ARG 28 HD1 ARG 28 -0.399 11.473 12.734
199 HD3 ARG 28 HD2 ARG 28 0.589 11.218 11.296
200 HE ARG 28 HE ARG 28 2.196 10.288 12.624
201 HH11 ARG 28 HH11 ARG 28 0.044 12.165 14.616
202 HH12 ARG 28 HH12 ARG 28 0.764 11.650 16.105
203 HH21 ARG 28 HH21 ARG 28 3.151 9.602 14.578
204 HH22 ARG 28 HH22 ARG 28 2.531 10.192 16.083
205 H LEU 29 HN LEU 29 4.835 14.976 12.197
206 HA LEU 29 HA LEU 29 4.316 15.527 14.901
207 HB2 LEU 29 HB1 LEU 29 6.691 15.656 13.125
208 HB3 LEU 29 HB2 LEU 29 6.780 16.492 14.674
209 HG LEU 29 HG LEU 29 5.971 14.150 15.590
210 HD11 LEU 29 HD11 LEU 29 7.036 12.326 14.300
211 HD12 LEU 29 HD12 LEU 29 7.328 13.466 12.987
212 HD13 LEU 29 HD13 LEU 29 5.676 13.072 13.460
213 HD21 LEU 29 HD21 LEU 29 8.255 15.533 15.709
214 HD22 LEU 29 HD22 LEU 29 8.821 14.134 14.796
215 HD23 LEU 29 HD23 LEU 29 8.080 13.912 16.382
216 H ALA 30 HN ALA 30 5.329 17.703 12.270
217 HA ALA 30 HA ALA 30 5.242 20.064 13.822
218 HB1 ALA 30 HB1 ALA 30 6.100 19.414 11.296
219 HB2 ALA 30 HB2 ALA 30 4.709 20.453 10.985
220 HB3 ALA 30 HB3 ALA 30 6.042 21.039 11.979
221 H ASN 31 HN ASN 31 2.975 18.896 11.322
222 HA ASN 31 HA ASN 31 0.968 20.795 12.167
223 HB2 ASN 31 HB1 ASN 31 0.983 18.628 10.062
224 HB3 ASN 31 HB2 ASN 31 -0.416 19.647 10.387
225 HD21 ASN 31 HD21 ASN 31 0.022 22.024 10.303
226 HD22 ASN 31 HD22 ASN 31 1.066 22.588 9.047
227 H GLY 32 HN GLY 32 1.157 19.690 14.405
228 HA2 GLY 32 HA1 GLY 32 -1.240 18.146 14.761
229 HA3 GLY 32 HA2 GLY 32 0.217 17.210 15.058
230 H GLY 33 HN GLY 33 0.857 17.144 17.101
231 HA2 GLY 33 HA1 GLY 33 -0.262 19.032 19.007
232 HA3 GLY 33 HA2 GLY 33 0.671 17.592 19.388
233 H ASN 34 HN ASN 34 0.917 20.912 18.207
234 HA ASN 34 HA ASN 34 3.512 21.124 19.534
235 HB2 ASN 34 HB1 ASN 34 4.614 22.094 17.653
236 HB3 ASN 34 HB2 ASN 34 3.861 20.608 17.082
237 HD21 ASN 34 HD21 ASN 34 4.563 23.490 16.049
238 HD22 ASN 34 HD22 ASN 34 3.185 23.869 15.078
239 H GLY 35 HN GLY 35 3.842 23.051 20.521
240 HA2 GLY 35 HA1 GLY 35 1.726 25.078 20.167
241 HA3 GLY 35 HA2 GLY 35 2.600 24.803 21.666
242 H PHE 36 HN PHE 36 4.310 24.788 18.649
243 HA PHE 36 HA PHE 36 5.804 27.132 19.508
244 HB2 PHE 36 HB1 PHE 36 6.731 24.872 18.505
245 HB3 PHE 36 HB2 PHE 36 6.403 25.670 16.970
246 HD1 PHE 36 HD1 PHE 36 8.083 26.315 20.235
247 HD2 PHE 36 HD2 PHE 36 8.050 26.968 16.029
248 HE1 PHE 36 HE1 PHE 36 10.224 27.515 20.408
249 HE2 PHE 36 HE2 PHE 36 10.191 28.169 16.195
250 HZ PHE 36 HZ PHE 36 11.281 28.442 18.387
251 H TRP 37 HN TRP 37 4.839 29.007 19.022
252 HA TRP 37 HA TRP 37 3.451 29.319 16.476
253 HB2 TRP 37 HB1 TRP 37 2.395 30.143 18.566
254 HB3 TRP 37 HB2 TRP 37 3.730 31.274 18.770
255 HD1 TRP 37 HD1 TRP 37 3.940 33.222 16.812
256 HE1 TRP 37 HE1 TRP 37 2.074 34.411 15.497
257 HE3 TRP 37 HE3 TRP 37 0.143 29.890 17.599
258 HZ2 TRP 37 HZ2 TRP 37 -0.648 33.992 14.877
259 HZ3 TRP 37 HZ3 TRP 37 -2.061 30.359 16.611
260 HH2 TRP 37 HH2 TRP 37 -2.446 32.368 15.279
Start of MODEL 19
1 H1 LYS 1 HN LYS 1 -4.848 -6.194 -1.453
2 HA LYS 1 HA LYS 1 -3.072 -4.759 -0.971
3 HB2 LYS 1 HB1 LYS 1 -3.050 -6.886 1.174
4 HB3 LYS 1 HB2 LYS 1 -2.208 -5.348 1.313
5 HG2 LYS 1 HG1 LYS 1 -4.209 -4.131 1.380
6 HG3 LYS 1 HG2 LYS 1 -5.156 -5.495 0.783
7 HD2 LYS 1 HD1 LYS 1 -3.671 -5.708 3.373
8 HD3 LYS 1 HD2 LYS 1 -5.234 -4.891 3.309
9 HE2 LYS 1 HE1 LYS 1 -6.054 -7.012 2.107
10 HE3 LYS 1 HE2 LYS 1 -4.579 -7.759 2.717
11 HZ1 LYS 1 HZ1 LYS 1 -6.144 -6.306 4.678
12 HZ2 LYS 1 HZ2 LYS 1 -5.363 -7.801 4.807
13 HZ3 LYS 1 HZ3 LYS 1 -6.878 -7.701 4.062
14 H TYR 2 HN TYR 2 -2.161 -6.452 -2.971
15 HA TYR 2 HA TYR 2 0.336 -7.648 -2.171
16 HB2 TYR 2 HB1 TYR 2 -1.184 -7.368 -4.722
17 HB3 TYR 2 HB2 TYR 2 0.545 -7.683 -4.821
18 HD1 TYR 2 HD2 TYR 2 -2.650 -8.997 -3.480
19 HD2 TYR 2 HD1 TYR 2 1.409 -9.847 -4.433
20 HE1 TYR 2 HE2 TYR 2 -3.073 -11.393 -3.122
21 HE2 TYR 2 HE1 TYR 2 0.996 -12.245 -4.078
22 HH TYR 2 HH TYR 2 -1.128 -13.527 -2.461
23 H TYR 3 HN TYR 3 1.296 -5.741 -1.219
24 HA TYR 3 HA TYR 3 2.834 -4.247 -3.178
25 HB2 TYR 3 HB1 TYR 3 0.765 -3.031 -1.416
26 HB3 TYR 3 HB2 TYR 3 2.269 -2.144 -1.636
27 HD1 TYR 3 HD2 TYR 3 2.969 -1.489 -3.959
28 HD2 TYR 3 HD1 TYR 3 -0.886 -3.078 -3.110
29 HE1 TYR 3 HE2 TYR 3 2.140 -0.606 -6.099
30 HE2 TYR 3 HE1 TYR 3 -1.725 -2.200 -5.248
31 HH TYR 3 HH TYR 3 -1.073 -1.368 -7.281
32 H GLY 4 HN GLY 4 4.841 -4.679 -2.537
33 HA2 GLY 4 HA1 GLY 4 5.933 -3.705 -0.156
34 HA3 GLY 4 HA2 GLY 4 5.571 -5.407 0.091
35 H ASN 5 HN ASN 5 7.860 -3.219 -0.980
36 HA ASN 5 HA ASN 5 9.662 -5.318 -1.735
37 HB2 ASN 5 HB1 ASN 5 8.406 -3.579 -3.804
38 HB3 ASN 5 HB2 ASN 5 10.117 -3.956 -3.979
39 HD21 ASN 5 HD21 ASN 5 10.446 -6.447 -3.325
40 HD22 ASN 5 HD22 ASN 5 9.451 -7.515 -4.248
41 H GLY 6 HN GLY 6 10.758 -4.392 0.071
42 HA2 GLY 6 HA1 GLY 6 11.732 -1.657 -0.189
43 HA3 GLY 6 HA2 GLY 6 11.970 -2.723 1.188
44 H VAL 7 HN VAL 7 12.825 -4.860 -0.825
45 HA VAL 7 HA VAL 7 15.611 -4.439 -0.575
46 HB VAL 7 HB VAL 7 14.688 -6.689 -0.656
47 HG11 VAL 7 HG11 VAL 7 12.924 -5.974 -2.402
48 HG12 VAL 7 HG12 VAL 7 14.162 -6.390 -3.589
49 HG13 VAL 7 HG13 VAL 7 13.567 -7.614 -2.466
50 HG21 VAL 7 HG21 VAL 7 17.026 -6.133 -1.497
51 HG22 VAL 7 HG22 VAL 7 16.356 -7.692 -1.979
52 HG23 VAL 7 HG23 VAL 7 16.373 -6.348 -3.121
53 H HIS 8 HN HIS 8 13.353 -4.069 -3.265
54 HA HIS 8 HA HIS 8 15.361 -3.468 -5.202
55 HB2 HIS 8 HB1 HIS 8 13.106 -4.351 -5.778
56 HB3 HIS 8 HB2 HIS 8 12.409 -2.811 -5.282
57 HD1 HIS 8 HD1 HIS 8 12.982 -0.726 -6.794
58 HD2 HIS 8 HD2 HIS 8 14.178 -4.401 -8.317
59 HE1 HIS 8 HE1 HIS 8 13.485 -0.315 -9.223
60 H LEU 9 HN LEU 9 13.541 -1.615 -2.888
61 HA LEU 9 HA LEU 9 13.940 0.944 -4.036
62 HB2 LEU 9 HB1 LEU 9 12.232 0.838 -2.465
63 HB3 LEU 9 HB2 LEU 9 13.221 -0.051 -1.309
64 HG LEU 9 HG LEU 9 14.035 2.731 -1.950
65 HD11 LEU 9 HD11 LEU 9 12.451 3.632 -0.307
66 HD12 LEU 9 HD12 LEU 9 11.661 2.058 -0.217
67 HD13 LEU 9 HD13 LEU 9 11.632 2.973 -1.724
68 HD21 LEU 9 HD21 LEU 9 15.398 2.176 -0.281
69 HD22 LEU 9 HD22 LEU 9 14.466 0.726 0.093
70 HD23 LEU 9 HD23 LEU 9 13.997 2.279 0.786
71 H THR 10 HN THR 10 15.901 -1.124 -2.045
72 HA THR 10 HA THR 10 17.718 0.847 -1.114
73 HB THR 10 HB THR 10 18.350 -2.076 -1.530
74 HG1 THR 10 HG1 THR 10 16.895 -2.465 -0.055
75 HG21 THR 10 HG21 THR 10 20.274 -1.572 -0.530
76 HG22 THR 10 HG22 THR 10 19.390 -0.975 0.875
77 HG23 THR 10 HG23 THR 10 19.792 0.122 -0.445
78 H LYS 11 HN LYS 11 18.199 -1.686 -3.585
79 HA LYS 11 HA LYS 11 20.589 -0.621 -4.602
80 HB2 LYS 11 HB1 LYS 11 18.551 -2.554 -5.646
81 HB3 LYS 11 HB2 LYS 11 19.844 -1.998 -6.701
82 HG2 LYS 11 HG1 LYS 11 21.504 -2.829 -5.121
83 HG3 LYS 11 HG2 LYS 11 20.213 -3.371 -4.046
84 HD2 LYS 11 HD1 LYS 11 20.326 -4.310 -6.889
85 HD3 LYS 11 HD2 LYS 11 21.321 -5.078 -5.650
86 HE2 LYS 11 HE1 LYS 11 18.340 -4.722 -5.408
87 HE3 LYS 11 HE2 LYS 11 19.093 -6.166 -6.083
88 HZ1 LYS 11 HZ1 LYS 11 19.332 -5.128 -3.317
89 HZ2 LYS 11 HZ2 LYS 11 20.335 -6.342 -3.933
90 HZ3 LYS 11 HZ3 LYS 11 18.668 -6.601 -3.816
91 H SER 12 HN SER 12 17.240 0.069 -5.313
92 HA SER 12 HA SER 12 17.602 1.412 -7.763
93 HB2 SER 12 HB1 SER 12 15.388 0.744 -7.161
94 HB3 SER 12 HB2 SER 12 15.464 1.631 -5.639
95 HG SER 12 HG SER 12 14.895 2.526 -8.179
96 H GLY 13 HN GLY 13 16.840 2.920 -4.618
97 HA2 GLY 13 HA1 GLY 13 18.947 4.867 -4.938
98 HA3 GLY 13 HA2 GLY 13 17.337 5.526 -5.186
99 H LEU 14 HN LEU 14 18.970 3.372 -2.856
100 HA LEU 14 HA LEU 14 17.307 3.877 -0.691
101 HB2 LEU 14 HB1 LEU 14 18.875 2.806 0.623
102 HB3 LEU 14 HB2 LEU 14 19.206 2.161 -0.983
103 HG LEU 14 HG LEU 14 20.962 4.177 -0.972
104 HD11 LEU 14 HD11 LEU 14 21.589 4.949 1.029
105 HD12 LEU 14 HD12 LEU 14 21.472 3.360 1.784
106 HD13 LEU 14 HD13 LEU 14 20.028 4.353 1.592
107 HD21 LEU 14 HD21 LEU 14 21.297 1.688 -1.294
108 HD22 LEU 14 HD22 LEU 14 21.572 1.595 0.446
109 HD23 LEU 14 HD23 LEU 14 22.640 2.569 -0.566
110 H SER 15 HN SER 15 19.887 5.790 -2.025
111 HA SER 15 HA SER 15 20.265 7.484 0.234
112 HB2 SER 15 HB1 SER 15 21.922 7.166 -1.635
113 HB3 SER 15 HB2 SER 15 20.863 8.136 -2.659
114 HG SER 15 HG SER 15 22.016 8.994 -0.210
115 H VAL 16 HN VAL 16 18.531 7.916 -2.847
116 HA VAL 16 HA VAL 16 17.444 10.447 -2.150
117 HB VAL 16 HB VAL 16 17.674 9.749 -4.485
118 HG11 VAL 16 HG11 VAL 16 17.213 7.409 -4.347
119 HG12 VAL 16 HG12 VAL 16 15.576 7.711 -3.761
120 HG13 VAL 16 HG13 VAL 16 16.013 8.132 -5.418
121 HG21 VAL 16 HG21 VAL 16 15.679 11.222 -3.433
122 HG22 VAL 16 HG22 VAL 16 15.903 10.976 -5.164
123 HG23 VAL 16 HG23 VAL 16 14.743 9.988 -4.277
124 H ASN 17 HN ASN 17 16.455 7.159 -1.600
125 HA ASN 17 HA ASN 17 13.724 7.727 -0.999
126 HB2 ASN 17 HB1 ASN 17 15.530 5.365 -0.579
127 HB3 ASN 17 HB2 ASN 17 13.935 5.407 0.167
128 HD21 ASN 17 HD21 ASN 17 12.121 5.917 -1.349
129 HD22 ASN 17 HD22 ASN 17 12.180 5.195 -2.917
130 H TRP 18 HN TRP 18 16.696 7.838 0.777
131 HA TRP 18 HA TRP 18 15.757 7.604 3.395
132 HB2 TRP 18 HB1 TRP 18 18.185 7.773 2.496
133 HB3 TRP 18 HB2 TRP 18 17.958 9.513 2.655
134 HD1 TRP 18 HD1 TRP 18 17.586 10.464 5.179
135 HE1 TRP 18 HE1 TRP 18 18.367 9.532 7.448
136 HE3 TRP 18 HE3 TRP 18 18.634 5.663 3.767
137 HZ2 TRP 18 HZ2 TRP 18 19.304 7.086 8.499
138 HZ3 TRP 18 HZ3 TRP 18 19.469 4.091 5.465
139 HH2 TRP 18 HH2 TRP 18 19.797 4.789 7.781
140 H GLY 19 HN GLY 19 16.373 10.602 1.550
141 HA2 GLY 19 HA1 GLY 19 15.387 12.408 3.411
142 HA3 GLY 19 HA2 GLY 19 15.386 12.671 1.674
143 H GLU 20 HN GLU 20 13.617 10.656 0.887
144 HA GLU 20 HA GLU 20 11.139 11.932 1.290
145 HB2 GLU 20 HB1 GLU 20 11.936 9.293 0.094
146 HB3 GLU 20 HB2 GLU 20 10.243 9.735 0.257
147 HG2 GLU 20 HG1 GLU 20 12.323 11.304 -1.250
148 HG3 GLU 20 HG2 GLU 20 11.117 10.237 -1.967
149 H ALA 21 HN ALA 21 12.601 9.077 2.756
150 HA ALA 21 HA ALA 21 10.306 8.244 4.197
151 HB1 ALA 21 HB1 ALA 21 12.869 7.583 5.430
152 HB2 ALA 21 HB2 ALA 21 11.589 6.526 4.834
153 HB3 ALA 21 HB3 ALA 21 12.783 7.183 3.715
154 H PHE 22 HN PHE 22 12.890 10.514 4.867
155 HA PHE 22 HA PHE 22 12.514 10.805 7.630
156 HB2 PHE 22 HB1 PHE 22 14.407 11.716 6.142
157 HB3 PHE 22 HB2 PHE 22 13.328 13.070 5.821
158 HD1 PHE 22 HD2 PHE 22 14.481 11.130 8.798
159 HD2 PHE 22 HD1 PHE 22 13.712 14.943 7.071
160 HE1 PHE 22 HE2 PHE 22 15.238 12.217 10.871
161 HE2 PHE 22 HE1 PHE 22 14.468 16.037 9.141
162 HZ PHE 22 HZ PHE 22 15.231 14.674 11.045
163 H SER 23 HN SER 23 11.423 13.051 5.080
164 HA SER 23 HA SER 23 9.750 14.587 6.679
165 HB2 SER 23 HB1 SER 23 9.020 14.047 3.820
166 HB3 SER 23 HB2 SER 23 8.974 15.566 4.716
167 HG SER 23 HG SER 23 11.098 14.319 3.422
168 H ALA 24 HN ALA 24 9.251 11.446 5.303
169 HA ALA 24 HA ALA 24 6.494 11.246 5.223
170 HB1 ALA 24 HB1 ALA 24 7.830 8.878 6.318
171 HB2 ALA 24 HB2 ALA 24 6.852 9.061 4.862
172 HB3 ALA 24 HB3 ALA 24 8.556 9.515 4.842
173 H GLY 25 HN GLY 25 8.528 10.150 7.952
174 HA2 GLY 25 HA1 GLY 25 6.324 9.894 9.725
175 HA3 GLY 25 HA2 GLY 25 8.022 9.874 10.178
176 H VAL 26 HN VAL 26 8.532 12.516 9.008
177 HA VAL 26 HA VAL 26 8.161 14.106 11.262
178 HB VAL 26 HB VAL 26 8.565 15.016 8.409
179 HG11 VAL 26 HG11 VAL 26 8.103 17.022 9.325
180 HG12 VAL 26 HG12 VAL 26 8.386 16.454 10.971
181 HG13 VAL 26 HG13 VAL 26 9.750 16.896 9.943
182 HG21 VAL 26 HG21 VAL 26 10.239 13.472 9.935
183 HG22 VAL 26 HG22 VAL 26 10.736 14.501 8.592
184 HG23 VAL 26 HG23 VAL 26 10.831 15.104 10.247
185 H HIS 27 HN HIS 27 6.106 13.605 8.477
186 HA HIS 27 HA HIS 27 4.397 15.815 8.808
187 HB2 HIS 27 HB1 HIS 27 4.521 14.336 6.780
188 HB3 HIS 27 HB2 HIS 27 3.642 13.110 7.689
189 HD1 HIS 27 HD1 HIS 27 3.015 16.839 7.199
190 HD2 HIS 27 HD2 HIS 27 1.092 13.176 6.819
191 HE1 HIS 27 HE1 HIS 27 0.669 17.383 6.475
192 H ARG 28 HN ARG 28 4.365 12.573 10.194
193 HA ARG 28 HA ARG 28 1.824 12.813 11.443
194 HB2 ARG 28 HB1 ARG 28 3.225 10.687 10.923
195 HB3 ARG 28 HB2 ARG 28 4.010 11.024 12.460
196 HG2 ARG 28 HG1 ARG 28 1.043 10.956 12.395
197 HG3 ARG 28 HG2 ARG 28 1.921 9.428 12.284
198 HD2 ARG 28 HD1 ARG 28 2.629 11.416 14.403
199 HD3 ARG 28 HD2 ARG 28 1.230 10.364 14.614
200 HE ARG 28 HE ARG 28 3.963 9.632 14.876
201 HH11 ARG 28 HH11 ARG 28 0.858 8.446 13.839
202 HH12 ARG 28 HH12 ARG 28 1.241 6.786 14.154
203 HH21 ARG 28 HH21 ARG 28 4.479 7.450 15.294
204 HH22 ARG 28 HH22 ARG 28 3.301 6.221 14.982
205 H LEU 29 HN LEU 29 5.127 13.488 12.458
206 HA LEU 29 HA LEU 29 4.622 13.899 15.192
207 HB2 LEU 29 HB1 LEU 29 6.755 14.764 13.294
208 HB3 LEU 29 HB2 LEU 29 6.699 15.469 14.908
209 HG LEU 29 HG LEU 29 6.639 12.920 15.625
210 HD11 LEU 29 HD11 LEU 29 6.634 11.765 13.630
211 HD12 LEU 29 HD12 LEU 29 8.352 11.794 14.026
212 HD13 LEU 29 HD13 LEU 29 7.703 12.920 12.834
213 HD21 LEU 29 HD21 LEU 29 9.236 14.131 14.718
214 HD22 LEU 29 HD22 LEU 29 8.938 13.078 16.102
215 HD23 LEU 29 HD23 LEU 29 8.343 14.739 16.112
216 H ALA 30 HN ALA 30 4.412 16.043 12.407
217 HA ALA 30 HA ALA 30 4.035 18.448 13.846
218 HB1 ALA 30 HB1 ALA 30 4.503 17.917 11.272
219 HB2 ALA 30 HB2 ALA 30 2.759 18.171 11.191
220 HB3 ALA 30 HB3 ALA 30 3.807 19.441 11.822
221 H ASN 31 HN ASN 31 1.925 15.825 13.037
222 HA ASN 31 HA ASN 31 -0.506 17.317 13.489
223 HB2 ASN 31 HB1 ASN 31 -0.139 15.234 11.956
224 HB3 ASN 31 HB2 ASN 31 -0.369 14.320 13.444
225 HD21 ASN 31 HD21 ASN 31 -1.913 15.286 10.804
226 HD22 ASN 31 HD22 ASN 31 -3.523 15.449 11.409
227 H GLY 32 HN GLY 32 0.035 18.097 15.634
228 HA2 GLY 32 HA1 GLY 32 -1.204 17.482 17.760
229 HA3 GLY 32 HA2 GLY 32 -0.222 16.025 17.721
230 H GLY 33 HN GLY 33 2.216 17.214 16.888
231 HA2 GLY 33 HA1 GLY 33 3.186 18.097 19.420
232 HA3 GLY 33 HA2 GLY 33 4.110 18.010 17.928
233 H ASN 34 HN ASN 34 1.889 19.741 16.697
234 HA ASN 34 HA ASN 34 1.579 21.943 16.220
235 HB2 ASN 34 HB1 ASN 34 0.830 21.869 18.666
236 HB3 ASN 34 HB2 ASN 34 2.405 22.553 19.056
237 HD21 ASN 34 HD21 ASN 34 -0.672 23.109 17.549
238 HD22 ASN 34 HD22 ASN 34 -0.523 24.825 17.413
239 H GLY 35 HN GLY 35 4.204 20.726 15.854
240 HA2 GLY 35 HA1 GLY 35 5.931 23.097 16.191
241 HA3 GLY 35 HA2 GLY 35 6.521 21.446 16.082
242 H PHE 36 HN PHE 36 5.015 24.066 14.268
243 HA PHE 36 HA PHE 36 5.490 22.731 11.739
244 HB2 PHE 36 HB1 PHE 36 4.379 25.466 12.394
245 HB3 PHE 36 HB2 PHE 36 4.520 24.817 10.763
246 HD1 PHE 36 HD1 PHE 36 3.235 22.732 10.179
247 HD2 PHE 36 HD2 PHE 36 2.547 24.941 13.751
248 HE1 PHE 36 HE1 PHE 36 1.033 21.659 10.414
249 HE2 PHE 36 HE2 PHE 36 0.345 23.872 13.992
250 HZ PHE 36 HZ PHE 36 -0.415 22.228 12.323
251 H TRP 37 HN TRP 37 7.786 22.568 11.848
252 HA TRP 37 HA TRP 37 9.300 25.061 11.788
253 HB2 TRP 37 HB1 TRP 37 10.347 22.229 11.639
254 HB3 TRP 37 HB2 TRP 37 11.275 23.688 11.973
255 HD1 TRP 37 HD1 TRP 37 10.276 20.871 13.803
256 HE1 TRP 37 HE1 TRP 37 9.795 21.373 16.281
257 HE3 TRP 37 HE3 TRP 37 9.776 25.951 13.520
258 HZ2 TRP 37 HZ2 TRP 37 9.272 23.624 17.902
259 HZ3 TRP 37 HZ3 TRP 37 9.285 27.204 15.580
260 HH2 TRP 37 HH2 TRP 37 9.038 26.063 17.724
Start of MODEL 20
1 H1 LYS 1 HN LYS 1 -0.058 1.152 4.979
2 HA LYS 1 HA LYS 1 -0.430 -1.692 4.306
3 HB2 LYS 1 HB1 LYS 1 -1.635 0.580 2.732
4 HB3 LYS 1 HB2 LYS 1 -1.980 -1.139 2.586
5 HG2 LYS 1 HG1 LYS 1 -2.673 -0.746 5.153
6 HG3 LYS 1 HG2 LYS 1 -3.023 0.852 4.489
7 HD2 LYS 1 HD1 LYS 1 -4.030 -1.730 3.300
8 HD3 LYS 1 HD2 LYS 1 -4.952 -0.738 4.432
9 HE2 LYS 1 HE1 LYS 1 -3.824 0.631 2.063
10 HE3 LYS 1 HE2 LYS 1 -5.149 -0.495 1.772
11 HZ1 LYS 1 HZ1 LYS 1 -5.408 1.499 3.913
12 HZ2 LYS 1 HZ2 LYS 1 -6.612 0.771 2.974
13 HZ3 LYS 1 HZ3 LYS 1 -5.638 1.983 2.308
14 H TYR 2 HN TYR 2 2.080 -0.636 4.434
15 HA TYR 2 HA TYR 2 2.890 0.283 1.812
16 HB2 TYR 2 HB1 TYR 2 5.097 0.471 2.740
17 HB3 TYR 2 HB2 TYR 2 3.960 1.092 3.931
18 HD1 TYR 2 HD2 TYR 2 3.402 -0.283 5.932
19 HD2 TYR 2 HD1 TYR 2 6.470 -1.414 3.210
20 HE1 TYR 2 HE2 TYR 2 4.325 -1.818 7.618
21 HE2 TYR 2 HE1 TYR 2 7.401 -2.952 4.888
22 HH TYR 2 HH TYR 2 7.145 -3.853 6.903
23 H TYR 3 HN TYR 3 4.890 -0.840 0.846
24 HA TYR 3 HA TYR 3 4.951 -3.715 1.187
25 HB2 TYR 3 HB1 TYR 3 4.531 -4.104 -1.266
26 HB3 TYR 3 HB2 TYR 3 3.119 -3.596 -0.346
27 HD1 TYR 3 HD1 TYR 3 2.315 -1.236 -0.537
28 HD2 TYR 3 HD2 TYR 3 5.355 -2.801 -3.070
29 HE1 TYR 3 HE1 TYR 3 1.949 0.618 -2.112
30 HE2 TYR 3 HE2 TYR 3 4.998 -0.952 -4.651
31 HH TYR 3 HH TYR 3 3.837 1.706 -4.143
32 H GLY 4 HN GLY 4 7.020 -4.270 1.136
33 HA2 GLY 4 HA1 GLY 4 8.939 -2.508 -0.192
34 HA3 GLY 4 HA2 GLY 4 9.322 -3.780 0.959
35 H ASN 5 HN ASN 5 7.161 -4.379 -1.702
36 HA ASN 5 HA ASN 5 8.746 -6.541 -2.643
37 HB2 ASN 5 HB1 ASN 5 6.165 -6.142 -2.800
38 HB3 ASN 5 HB2 ASN 5 6.571 -5.294 -4.290
39 HD21 ASN 5 HD21 ASN 5 7.391 -8.328 -2.637
40 HD22 ASN 5 HD22 ASN 5 7.287 -9.320 -4.048
41 H GLY 6 HN GLY 6 10.775 -5.585 -3.132
42 HA2 GLY 6 HA1 GLY 6 11.041 -4.806 -5.862
43 HA3 GLY 6 HA2 GLY 6 11.275 -3.433 -4.790
44 H VAL 7 HN VAL 7 12.453 -6.664 -5.582
45 HA VAL 7 HA VAL 7 14.730 -6.596 -3.905
46 HB VAL 7 HB VAL 7 15.597 -8.429 -5.334
47 HG11 VAL 7 HG11 VAL 7 14.366 -9.422 -3.723
48 HG12 VAL 7 HG12 VAL 7 12.947 -8.422 -4.040
49 HG13 VAL 7 HG13 VAL 7 13.300 -9.807 -5.074
50 HG21 VAL 7 HG21 VAL 7 13.161 -7.778 -6.982
51 HG22 VAL 7 HG22 VAL 7 14.847 -7.785 -7.500
52 HG23 VAL 7 HG23 VAL 7 14.040 -9.302 -7.105
53 H HIS 8 HN HIS 8 14.191 -5.659 -7.268
54 HA HIS 8 HA HIS 8 16.931 -5.070 -7.809
55 HB2 HIS 8 HB1 HIS 8 14.333 -4.600 -9.212
56 HB3 HIS 8 HB2 HIS 8 15.756 -3.707 -9.740
57 HD1 HIS 8 HD1 HIS 8 14.035 -6.841 -10.225
58 HD2 HIS 8 HD2 HIS 8 17.974 -5.538 -10.460
59 HE1 HIS 8 HE1 HIS 8 15.241 -8.585 -11.577
60 H LEU 9 HN LEU 9 14.224 -3.279 -6.526
61 HA LEU 9 HA LEU 9 15.211 -0.672 -6.892
62 HB2 LEU 9 HB1 LEU 9 12.959 -0.818 -6.329
63 HB3 LEU 9 HB2 LEU 9 13.268 -1.920 -4.989
64 HG LEU 9 HG LEU 9 14.349 0.836 -4.769
65 HD11 LEU 9 HD11 LEU 9 12.320 1.654 -5.379
66 HD12 LEU 9 HD12 LEU 9 11.965 1.285 -3.692
67 HD13 LEU 9 HD13 LEU 9 11.468 0.167 -4.962
68 HD21 LEU 9 HD21 LEU 9 14.764 -0.053 -2.769
69 HD22 LEU 9 HD22 LEU 9 13.696 -1.424 -3.069
70 HD23 LEU 9 HD23 LEU 9 13.035 0.092 -2.455
71 H THR 10 HN THR 10 16.080 -3.173 -4.687
72 HA THR 10 HA THR 10 17.201 -1.566 -2.635
73 HB THR 10 HB THR 10 18.053 -4.373 -3.353
74 HG1 THR 10 HG1 THR 10 16.241 -5.088 -2.474
75 HG21 THR 10 HG21 THR 10 19.104 -4.438 -1.361
76 HG22 THR 10 HG22 THR 10 17.828 -3.531 -0.548
77 HG23 THR 10 HG23 THR 10 19.065 -2.679 -1.472
78 H LYS 11 HN LYS 11 18.846 -3.544 -5.112
79 HA LYS 11 HA LYS 11 21.371 -2.321 -4.684
80 HB2 LYS 11 HB1 LYS 11 20.227 -4.205 -6.696
81 HB3 LYS 11 HB2 LYS 11 21.747 -3.405 -7.075
82 HG2 LYS 11 HG1 LYS 11 22.575 -4.252 -4.826
83 HG3 LYS 11 HG2 LYS 11 21.144 -5.286 -4.817
84 HD2 LYS 11 HD1 LYS 11 22.796 -6.646 -5.742
85 HD3 LYS 11 HD2 LYS 11 21.931 -6.031 -7.153
86 HE2 LYS 11 HE1 LYS 11 24.157 -5.755 -7.747
87 HE3 LYS 11 HE2 LYS 11 23.711 -4.161 -7.141
88 HZ1 LYS 11 HZ1 LYS 11 25.813 -5.708 -6.295
89 HZ2 LYS 11 HZ2 LYS 11 24.675 -5.833 -5.051
90 HZ3 LYS 11 HZ3 LYS 11 25.224 -4.311 -5.544
91 H SER 12 HN SER 12 18.659 -1.602 -6.742
92 HA SER 12 HA SER 12 19.963 0.045 -8.620
93 HB2 SER 12 HB1 SER 12 17.727 -0.775 -9.060
94 HB3 SER 12 HB2 SER 12 17.099 0.062 -7.640
95 HG SER 12 HG SER 12 16.744 1.632 -8.986
96 H GLY 13 HN GLY 13 18.952 0.575 -5.347
97 HA2 GLY 13 HA1 GLY 13 20.443 2.646 -4.628
98 HA3 GLY 13 HA2 GLY 13 19.217 3.472 -5.578
99 H LEU 14 HN LEU 14 19.320 0.955 -3.050
100 HA LEU 14 HA LEU 14 16.793 1.448 -1.995
101 HB2 LEU 14 HB1 LEU 14 17.382 0.070 -0.234
102 HB3 LEU 14 HB2 LEU 14 18.446 -0.465 -1.532
103 HG LEU 14 HG LEU 14 20.064 1.312 -0.333
104 HD11 LEU 14 HD11 LEU 14 18.938 2.029 1.508
105 HD12 LEU 14 HD12 LEU 14 19.698 0.591 2.188
106 HD13 LEU 14 HD13 LEU 14 18.014 0.535 1.666
107 HD21 LEU 14 HD21 LEU 14 20.485 -1.082 -0.868
108 HD22 LEU 14 HD22 LEU 14 19.688 -1.515 0.645
109 HD23 LEU 14 HD23 LEU 14 21.172 -0.562 0.670
110 H SER 15 HN SER 15 19.684 3.274 -1.728
111 HA SER 15 HA SER 15 19.246 4.572 0.729
112 HB2 SER 15 HB1 SER 15 20.569 5.939 -1.598
113 HB3 SER 15 HB2 SER 15 20.975 6.027 0.116
114 HG SER 15 HG SER 15 21.624 4.083 -1.777
115 H VAL 16 HN VAL 16 17.860 5.012 -2.419
116 HA VAL 16 HA VAL 16 16.885 7.655 -2.053
117 HB VAL 16 HB VAL 16 17.127 6.409 -4.260
118 HG11 VAL 16 HG11 VAL 16 14.344 5.470 -4.016
119 HG12 VAL 16 HG12 VAL 16 15.714 4.759 -4.873
120 HG13 VAL 16 HG13 VAL 16 15.551 4.537 -3.130
121 HG21 VAL 16 HG21 VAL 16 15.450 8.477 -3.461
122 HG22 VAL 16 HG22 VAL 16 15.936 8.088 -5.112
123 HG23 VAL 16 HG23 VAL 16 14.432 7.437 -4.459
124 H ASN 17 HN ASN 17 15.840 4.569 -0.947
125 HA ASN 17 HA ASN 17 13.086 5.164 -0.582
126 HB2 ASN 17 HB1 ASN 17 14.383 2.869 -0.552
127 HB3 ASN 17 HB2 ASN 17 14.515 3.204 1.171
128 HD21 ASN 17 HD21 ASN 17 13.062 2.079 2.230
129 HD22 ASN 17 HD22 ASN 17 11.413 1.850 1.769
130 H TRP 18 HN TRP 18 15.939 5.427 1.483
131 HA TRP 18 HA TRP 18 14.697 6.036 3.896
132 HB2 TRP 18 HB1 TRP 18 17.360 6.854 2.744
133 HB3 TRP 18 HB2 TRP 18 16.861 7.330 4.364
134 HD1 TRP 18 HD1 TRP 18 18.034 4.316 2.355
135 HE1 TRP 18 HE1 TRP 18 18.576 2.393 3.977
136 HE3 TRP 18 HE3 TRP 18 16.208 6.356 6.672
137 HZ2 TRP 18 HZ2 TRP 18 18.268 1.816 6.723
138 HZ3 TRP 18 HZ3 TRP 18 16.370 5.053 8.753
139 HH2 TRP 18 HH2 TRP 18 17.379 2.829 8.776
140 H GLY 19 HN GLY 19 15.913 8.300 1.418
141 HA2 GLY 19 HA1 GLY 19 15.148 10.678 2.609
142 HA3 GLY 19 HA2 GLY 19 15.240 10.427 0.872
143 H GLU 20 HN GLU 20 13.203 8.514 0.588
144 HA GLU 20 HA GLU 20 10.937 10.202 0.451
145 HB2 GLU 20 HB1 GLU 20 11.445 7.299 -0.058
146 HB3 GLU 20 HB2 GLU 20 9.786 7.873 0.022
147 HG2 GLU 20 HG1 GLU 20 11.916 8.890 -1.844
148 HG3 GLU 20 HG2 GLU 20 10.594 7.804 -2.268
149 H ALA 21 HN ALA 21 11.689 7.414 2.528
150 HA ALA 21 HA ALA 21 9.317 7.439 4.018
151 HB1 ALA 21 HB1 ALA 21 11.690 6.619 5.515
152 HB2 ALA 21 HB2 ALA 21 10.231 5.713 5.112
153 HB3 ALA 21 HB3 ALA 21 11.537 5.850 3.935
154 H PHE 22 HN PHE 22 12.319 9.230 4.390
155 HA PHE 22 HA PHE 22 11.864 10.240 6.974
156 HB2 PHE 22 HB1 PHE 22 14.039 10.314 5.708
157 HB3 PHE 22 HB2 PHE 22 13.367 11.631 4.752
158 HD1 PHE 22 HD2 PHE 22 14.426 10.623 8.135
159 HD2 PHE 22 HD1 PHE 22 13.269 13.838 5.598
160 HE1 PHE 22 HE2 PHE 22 15.173 12.232 9.839
161 HE2 PHE 22 HE1 PHE 22 14.015 15.453 7.298
162 HZ PHE 22 HZ PHE 22 14.968 14.650 9.423
163 H SER 23 HN SER 23 11.165 11.637 3.780
164 HA SER 23 HA SER 23 10.045 14.038 4.687
165 HB2 SER 23 HB1 SER 23 10.628 13.887 2.384
166 HB3 SER 23 HB2 SER 23 9.630 12.452 2.151
167 HG SER 23 HG SER 23 8.722 14.502 1.395
168 H ALA 24 HN ALA 24 8.709 10.830 4.388
169 HA ALA 24 HA ALA 24 5.977 11.440 4.480
170 HB1 ALA 24 HB1 ALA 24 7.562 9.117 4.517
171 HB2 ALA 24 HB2 ALA 24 6.502 9.027 5.925
172 HB3 ALA 24 HB3 ALA 24 5.813 9.234 4.315
173 H GLY 25 HN GLY 25 8.396 11.221 7.014
174 HA2 GLY 25 HA1 GLY 25 6.491 11.303 9.166
175 HA3 GLY 25 HA2 GLY 25 8.234 11.477 9.307
176 H VAL 26 HN VAL 26 8.432 13.668 7.430
177 HA VAL 26 HA VAL 26 8.204 15.835 9.157
178 HB VAL 26 HB VAL 26 8.235 15.888 6.136
179 HG11 VAL 26 HG11 VAL 26 7.758 18.061 6.495
180 HG12 VAL 26 HG12 VAL 26 8.256 18.001 8.187
181 HG13 VAL 26 HG13 VAL 26 9.468 18.161 6.915
182 HG21 VAL 26 HG21 VAL 26 10.126 14.686 7.289
183 HG22 VAL 26 HG22 VAL 26 10.600 16.045 6.270
184 HG23 VAL 26 HG23 VAL 26 10.556 16.231 8.023
185 H HIS 27 HN HIS 27 5.898 14.498 6.888
186 HA HIS 27 HA HIS 27 4.098 16.669 6.824
187 HB2 HIS 27 HB1 HIS 27 4.235 14.478 5.372
188 HB3 HIS 27 HB2 HIS 27 3.131 13.846 6.591
189 HD1 HIS 27 HD1 HIS 27 1.141 15.968 7.030
190 HD2 HIS 27 HD2 HIS 27 2.745 15.249 3.265
191 HE1 HIS 27 HE1 HIS 27 -0.521 16.916 5.398
192 H ARG 28 HN ARG 28 4.263 13.784 8.878
193 HA ARG 28 HA ARG 28 1.896 14.281 10.325
194 HB2 ARG 28 HB1 ARG 28 3.310 12.131 10.203
195 HB3 ARG 28 HB2 ARG 28 4.291 12.863 11.466
196 HG2 ARG 28 HG1 ARG 28 2.852 11.662 12.749
197 HG3 ARG 28 HG2 ARG 28 1.940 13.168 12.627
198 HD2 ARG 28 HD1 ARG 28 0.489 11.267 12.221
199 HD3 ARG 28 HD2 ARG 28 0.665 12.228 10.753
200 HE ARG 28 HE ARG 28 2.584 10.193 10.715
201 HH11 ARG 28 HH11 ARG 28 -0.870 10.589 10.543
202 HH12 ARG 28 HH12 ARG 28 -1.116 9.169 9.581
203 HH21 ARG 28 HH21 ARG 28 2.274 8.321 9.449
204 HH22 ARG 28 HH22 ARG 28 0.673 7.879 8.960
205 H LEU 29 HN LEU 29 5.227 15.317 10.781
206 HA LEU 29 HA LEU 29 4.888 16.407 13.374
207 HB2 LEU 29 HB1 LEU 29 6.916 16.656 11.209
208 HB3 LEU 29 HB2 LEU 29 6.941 17.826 12.527
209 HG LEU 29 HG LEU 29 6.962 14.893 13.124
210 HD11 LEU 29 HD11 LEU 29 9.050 14.563 12.431
211 HD12 LEU 29 HD12 LEU 29 9.595 16.108 13.085
212 HD13 LEU 29 HD13 LEU 29 8.866 16.038 11.481
213 HD21 LEU 29 HD21 LEU 29 6.826 17.086 14.711
214 HD22 LEU 29 HD22 LEU 29 8.569 16.824 14.648
215 HD23 LEU 29 HD23 LEU 29 7.503 15.535 15.209
216 H ALA 30 HN ALA 30 4.639 17.774 10.124
217 HA ALA 30 HA ALA 30 4.329 20.464 10.843
218 HB1 ALA 30 HB1 ALA 30 4.277 18.968 8.474
219 HB2 ALA 30 HB2 ALA 30 2.742 19.835 8.535
220 HB3 ALA 30 HB3 ALA 30 4.262 20.724 8.640
221 H ASN 31 HN ASN 31 2.005 17.827 10.641
222 HA ASN 31 HA ASN 31 -0.246 19.567 11.158
223 HB2 ASN 31 HB1 ASN 31 -0.809 17.757 9.774
224 HB3 ASN 31 HB2 ASN 31 0.079 16.604 10.766
225 HD21 ASN 31 HD21 ASN 31 -2.871 18.342 10.339
226 HD22 ASN 31 HD22 ASN 31 -3.775 17.529 11.567
227 H GLY 32 HN GLY 32 0.891 16.631 12.843
228 HA2 GLY 32 HA1 GLY 32 0.026 17.886 15.369
229 HA3 GLY 32 HA2 GLY 32 0.090 16.153 15.081
230 H GLY 33 HN GLY 33 2.057 19.048 15.541
231 HA2 GLY 33 HA1 GLY 33 4.440 17.415 15.972
232 HA3 GLY 33 HA2 GLY 33 4.380 19.170 15.905
233 H ASN 34 HN ASN 34 3.216 20.232 17.761
234 HA ASN 34 HA ASN 34 3.327 18.702 20.245
235 HB2 ASN 34 HB1 ASN 34 5.551 19.997 19.651
236 HB3 ASN 34 HB2 ASN 34 4.645 21.387 20.243
237 HD21 ASN 34 HD21 ASN 34 3.900 21.370 22.412
238 HD22 ASN 34 HD22 ASN 34 4.690 20.401 23.606
239 H GLY 35 HN GLY 35 1.269 18.940 20.882
240 HA2 GLY 35 HA1 GLY 35 -0.615 19.966 21.704
241 HA3 GLY 35 HA2 GLY 35 0.338 21.436 21.836
242 H PHE 36 HN PHE 36 0.047 23.044 20.384
243 HA PHE 36 HA PHE 36 -2.145 22.709 18.498
244 HB2 PHE 36 HB1 PHE 36 -1.956 25.192 18.253
245 HB3 PHE 36 HB2 PHE 36 -2.269 24.661 19.902
246 HD1 PHE 36 HD2 PHE 36 0.345 25.904 17.611
247 HD2 PHE 36 HD1 PHE 36 -0.768 25.150 21.650
248 HE1 PHE 36 HE2 PHE 36 2.311 27.166 18.385
249 HE2 PHE 36 HE1 PHE 36 1.195 26.411 22.430
250 HZ PHE 36 HZ PHE 36 2.738 27.420 20.797
251 H TRP 37 HN TRP 37 1.303 23.152 18.537
252 HA TRP 37 HA TRP 37 1.430 23.728 15.693
253 HB2 TRP 37 HB1 TRP 37 2.988 24.713 17.480
254 HB3 TRP 37 HB2 TRP 37 3.776 23.138 17.491
255 HD1 TRP 37 HD1 TRP 37 4.137 22.417 14.556
256 HE1 TRP 37 HE1 TRP 37 5.558 23.843 12.953
257 HE3 TRP 37 HE3 TRP 37 4.047 26.844 17.111
258 HZ2 TRP 37 HZ2 TRP 37 6.515 26.494 12.792
259 HZ3 TRP 37 HZ3 TRP 37 5.241 28.777 16.165
260 HH2 TRP 37 HH2 TRP 37 6.449 28.603 14.050