Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
625886 | 5nao RC | 34109 | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 H1 MET 1 H MET 1 6.389 4.430 -5.469
2 HA MET 1 HA MET 1 7.004 4.578 -2.636
3 HB2 MET 1 HB2 MET 1 5.219 5.987 -3.470
4 HB3 MET 1 HB3 MET 1 4.378 4.592 -4.132
5 HG2 MET 1 HG2 MET 1 3.265 4.394 -2.238
6 HG3 MET 1 HG3 MET 1 4.780 4.066 -1.400
7 HE1 MET 1 HE1 MET 1 4.617 5.625 1.095
8 HE2 MET 1 HE2 MET 1 3.043 6.416 1.020
9 HE3 MET 1 HE3 MET 1 3.224 4.756 0.451
10 H ASN 2 H ASN 2 7.253 2.833 -1.421
11 HA ASN 2 HA ASN 2 6.862 0.209 -2.330
12 HB2 ASN 2 HB2 ASN 2 7.099 1.234 0.508
13 HB3 ASN 2 HB3 ASN 2 7.251 -0.453 0.026
14 HD21 ASN 2 HD21 ASN 2 9.174 1.298 1.336
15 HD22 ASN 2 HD22 ASN 2 10.573 1.315 0.323
16 H ILE 3 H ILE 3 5.081 -0.964 -2.539
17 HA ILE 3 HA ILE 3 2.622 -0.048 -1.239
18 HB ILE 3 HB ILE 3 2.828 -2.191 -3.345
19 HG12 ILE 3 HG12 ILE 3 2.446 0.785 -3.743
20 HG13 ILE 3 HG13 ILE 3 3.864 -0.143 -4.216
21 HG21 ILE 3 HG21 ILE 3 0.474 -0.472 -3.253
22 HG22 ILE 3 HG22 ILE 3 0.594 -2.229 -3.317
23 HG23 ILE 3 HG23 ILE 3 0.730 -1.392 -1.771
24 HD11 ILE 3 HD11 ILE 3 1.128 -0.139 -5.410
25 HD12 ILE 3 HD12 ILE 3 2.694 0.081 -6.192
26 HD13 ILE 3 HD13 ILE 3 2.205 -1.517 -5.630
27 H THR 4 H THR 4 4.653 -1.444 0.271
28 HA THR 4 HA THR 4 4.997 -3.312 1.575
29 HB THR 4 HB THR 4 3.300 -2.066 2.824
30 HG1 THR 4 HG1 THR 4 3.002 -3.709 4.172
31 HG21 THR 4 HG21 THR 4 1.331 -3.741 1.262
32 HG22 THR 4 HG22 THR 4 1.515 -1.988 1.194
33 HG23 THR 4 HG23 THR 4 0.921 -2.757 2.666
34 H SER 5 H SER 5 4.763 -4.104 -1.083
35 HA SER 5 HA SER 5 2.851 -6.201 -1.395
36 HB2 SER 5 HB2 SER 5 3.580 -5.282 -3.425
37 HB3 SER 5 HB3 SER 5 5.275 -5.316 -2.941
38 HG SER 5 HG SER 5 3.823 -7.204 -4.213
39 H GLN 6 H GLN 6 6.413 -6.327 -1.181
40 HA GLN 6 HA GLN 6 6.188 -8.735 0.462
41 HB2 GLN 6 HB2 GLN 6 8.010 -9.800 -0.927
42 HB3 GLN 6 HB3 GLN 6 6.431 -9.702 -1.694
43 HG2 GLN 6 HG2 GLN 6 7.103 -8.052 -3.169
44 HG3 GLN 6 HG3 GLN 6 8.472 -7.573 -2.166
45 HE21 GLN 6 HE21 GLN 6 9.234 -7.808 -4.570
46 HE22 GLN 6 HE22 GLN 6 10.000 -9.314 -4.929
47 H MET 7 H MET 7 8.126 -9.253 1.637
48 HA MET 7 HA MET 7 10.289 -7.320 1.612
49 HB2 MET 7 HB2 MET 7 8.299 -7.545 3.837
50 HB3 MET 7 HB3 MET 7 9.973 -7.161 4.214
51 HG2 MET 7 HG2 MET 7 9.841 -5.231 2.687
52 HG3 MET 7 HG3 MET 7 8.140 -5.599 2.410
53 HE1 MET 7 HE1 MET 7 9.378 -2.534 5.095
54 HE2 MET 7 HE2 MET 7 10.661 -3.719 4.847
55 HE3 MET 7 HE3 MET 7 9.807 -3.040 3.460
56 H ASN 8 H ASN 8 12.177 -8.067 2.596
57 HA ASN 8 HA ASN 8 12.385 -10.924 2.775
58 HB2 ASN 8 HB2 ASN 8 14.288 -8.626 2.871
59 HB3 ASN 8 HB3 ASN 8 14.815 -10.169 3.538
60 HD21 ASN 8 HD21 ASN 8 15.641 -8.620 1.139
61 HD22 ASN 8 HD22 ASN 8 15.512 -9.734 -0.176
62 H LYS 9 H LYS 9 12.465 -12.179 4.543
63 HA LYS 9 HA LYS 9 11.578 -11.227 7.032
64 HB2 LYS 9 HB2 LYS 9 11.305 -13.560 6.261
65 HB3 LYS 9 HB3 LYS 9 13.039 -13.805 6.425
66 HG2 LYS 9 HG2 LYS 9 12.137 -14.736 8.358
67 HG3 LYS 9 HG3 LYS 9 12.720 -13.152 8.873
68 HD2 LYS 9 HD2 LYS 9 10.614 -13.253 9.838
69 HD3 LYS 9 HD3 LYS 9 10.307 -12.365 8.344
70 HE2 LYS 9 HE2 LYS 9 8.589 -13.968 8.491
71 HE3 LYS 9 HE3 LYS 9 9.726 -14.605 7.304
72 HZ1 LYS 9 HZ1 LYS 9 9.048 -15.606 9.946
73 HZ2 LYS 9 HZ2 LYS 9 10.683 -15.700 9.523
74 HZ3 LYS 9 HZ3 LYS 9 9.515 -16.448 8.555
75 H THR 10 H THR 10 14.799 -11.838 5.763
76 HA THR 10 HA THR 10 16.265 -11.713 8.134
77 HB THR 10 HB THR 10 17.474 -10.440 5.742
78 HG1 THR 10 HG1 THR 10 17.412 -12.265 4.530
79 HG21 THR 10 HG21 THR 10 19.302 -12.011 6.308
80 HG22 THR 10 HG22 THR 10 18.308 -12.660 7.612
81 HG23 THR 10 HG23 THR 10 18.846 -10.982 7.665
82 H ILE 11 H ILE 11 15.082 -9.137 6.031
83 HA ILE 11 HA ILE 11 16.453 -6.984 7.157
84 HB ILE 11 HB ILE 11 13.652 -6.940 6.029
85 HG12 ILE 11 HG12 ILE 11 15.302 -7.967 4.491
86 HG13 ILE 11 HG13 ILE 11 14.688 -6.432 3.886
87 HG21 ILE 11 HG21 ILE 11 14.537 -4.569 5.377
88 HG22 ILE 11 HG22 ILE 11 13.897 -4.866 6.992
89 HG23 ILE 11 HG23 ILE 11 15.640 -4.829 6.728
90 HD11 ILE 11 HD11 ILE 11 17.331 -6.832 5.269
91 HD12 ILE 11 HD12 ILE 11 17.089 -6.670 3.529
92 HD13 ILE 11 HD13 ILE 11 16.719 -5.319 4.600
93 H ILE 12 H ILE 12 13.216 -8.238 7.953
94 HA ILE 12 HA ILE 12 12.543 -6.468 9.965
95 HB ILE 12 HB ILE 12 11.898 -9.418 9.910
96 HG12 ILE 12 HG12 ILE 12 10.424 -7.059 8.719
97 HG13 ILE 12 HG13 ILE 12 11.275 -8.306 7.815
98 HG21 ILE 12 HG21 ILE 12 10.675 -9.092 11.733
99 HG22 ILE 12 HG22 ILE 12 11.357 -7.471 11.852
100 HG23 ILE 12 HG23 ILE 12 9.844 -7.729 10.984
101 HD11 ILE 12 HD11 ILE 12 9.369 -9.418 7.710
102 HD12 ILE 12 HD12 ILE 12 9.475 -9.670 9.453
103 HD13 ILE 12 HD13 ILE 12 8.589 -8.286 8.814
104 H GLY 13 H GLY 13 14.342 -9.525 10.243
105 HA2 GLY 13 HA2 GLY 13 14.655 -9.654 12.981
106 HA3 GLY 13 HA3 GLY 13 15.848 -10.234 11.828
107 H VAL 14 H VAL 14 17.136 -8.319 10.793
108 HA VAL 14 HA VAL 14 18.785 -7.228 12.709
109 HB VAL 14 HB VAL 14 18.220 -6.053 9.983
110 HG11 VAL 14 HG11 VAL 14 19.438 -4.436 11.157
111 HG12 VAL 14 HG12 VAL 14 20.430 -5.646 11.973
112 HG13 VAL 14 HG13 VAL 14 20.660 -5.330 10.253
113 HG21 VAL 14 HG21 VAL 14 20.491 -7.391 9.626
114 HG22 VAL 14 HG22 VAL 14 19.794 -8.396 10.896
115 HG23 VAL 14 HG23 VAL 14 18.911 -8.140 9.391
116 H SER 15 H SER 15 15.965 -5.750 11.156
117 HA SER 15 HA SER 15 16.145 -3.178 12.127
118 HB2 SER 15 HB2 SER 15 14.382 -4.244 10.556
119 HB3 SER 15 HB3 SER 15 13.500 -4.612 12.039
120 HG SER 15 HG SER 15 14.438 -2.007 11.489
121 H VAL 16 H VAL 16 14.595 -5.970 13.694
122 HA VAL 16 HA VAL 16 13.788 -4.625 16.028
123 HB VAL 16 HB VAL 16 14.530 -7.544 15.893
124 HG11 VAL 16 HG11 VAL 16 13.661 -6.015 17.994
125 HG12 VAL 16 HG12 VAL 16 12.161 -6.716 17.383
126 HG13 VAL 16 HG13 VAL 16 13.494 -7.766 17.863
127 HG21 VAL 16 HG21 VAL 16 12.376 -6.078 14.545
128 HG22 VAL 16 HG22 VAL 16 13.063 -7.664 14.194
129 HG23 VAL 16 HG23 VAL 16 11.848 -7.489 15.460
130 H LEU 17 H LEU 17 16.739 -6.425 15.256
131 HA LEU 17 HA LEU 17 17.927 -6.413 17.772
132 HB2 LEU 17 HB2 LEU 17 19.021 -6.437 14.986
133 HB3 LEU 17 HB3 LEU 17 20.107 -6.365 16.372
134 HG LEU 17 HG LEU 17 18.085 -8.557 15.925
135 HD11 LEU 17 HD11 LEU 17 20.712 -8.114 14.755
136 HD12 LEU 17 HD12 LEU 17 19.456 -9.272 14.319
137 HD13 LEU 17 HD13 LEU 17 20.589 -9.648 15.617
138 HD21 LEU 17 HD21 LEU 17 19.642 -9.717 17.564
139 HD22 LEU 17 HD22 LEU 17 18.608 -8.445 18.215
140 HD23 LEU 17 HD23 LEU 17 20.312 -8.119 17.895
141 H SER 18 H SER 18 17.963 -3.956 15.231
142 HA SER 18 HA SER 18 19.777 -2.221 16.587
143 HB2 SER 18 HB2 SER 18 18.239 -0.667 14.823
144 HB3 SER 18 HB3 SER 18 19.822 -1.378 14.509
145 HG SER 18 HG SER 18 17.964 -1.919 13.049
146 H VAL 19 H VAL 19 16.311 -2.644 16.567
147 HA VAL 19 HA VAL 19 15.573 -0.185 17.728
148 HB VAL 19 HB VAL 19 14.198 -2.869 17.904
149 HG11 VAL 19 HG11 VAL 19 12.171 -1.509 18.399
150 HG12 VAL 19 HG12 VAL 19 13.389 -1.470 19.676
151 HG13 VAL 19 HG13 VAL 19 13.215 -0.100 18.577
152 HG21 VAL 19 HG21 VAL 19 14.602 -1.177 15.716
153 HG22 VAL 19 HG22 VAL 19 13.479 -2.533 15.826
154 HG23 VAL 19 HG23 VAL 19 12.936 -0.903 16.223
155 H LEU 20 H LEU 20 15.970 -3.389 19.249
156 HA LEU 20 HA LEU 20 15.638 -2.505 21.891
157 HB2 LEU 20 HB2 LEU 20 16.864 -4.631 22.475
158 HB3 LEU 20 HB3 LEU 20 15.416 -4.809 21.486
159 HG LEU 20 HG LEU 20 17.387 -4.676 19.593
160 HD11 LEU 20 HD11 LEU 20 18.923 -4.870 21.729
161 HD12 LEU 20 HD12 LEU 20 19.308 -5.724 20.235
162 HD13 LEU 20 HD13 LEU 20 18.531 -6.582 21.566
163 HD21 LEU 20 HD21 LEU 20 16.084 -7.008 20.973
164 HD22 LEU 20 HD22 LEU 20 17.123 -7.198 19.560
165 HD23 LEU 20 HD23 LEU 20 15.639 -6.250 19.444
166 H VAL 21 H VAL 21 18.606 -3.119 20.026
167 HA VAL 21 HA VAL 21 20.510 -2.566 21.926
168 HB VAL 21 HB VAL 21 20.503 -1.985 18.971
169 HG11 VAL 21 HG11 VAL 21 22.695 -1.528 20.979
170 HG12 VAL 21 HG12 VAL 21 23.008 -1.747 19.256
171 HG13 VAL 21 HG13 VAL 21 22.029 -0.389 19.810
172 HG21 VAL 21 HG21 VAL 21 22.413 -3.897 20.057
173 HG22 VAL 21 HG22 VAL 21 20.736 -4.334 20.387
174 HG23 VAL 21 HG23 VAL 21 21.268 -4.072 18.726
175 H VAL 22 H VAL 22 19.275 -0.174 19.579
176 HA VAL 22 HA VAL 22 20.471 2.078 20.627
177 HB VAL 22 HB VAL 22 17.747 1.881 19.335
178 HG11 VAL 22 HG11 VAL 22 17.722 3.982 20.321
179 HG12 VAL 22 HG12 VAL 22 19.454 4.224 20.084
180 HG13 VAL 22 HG13 VAL 22 18.353 4.314 18.709
181 HG21 VAL 22 HG21 VAL 22 19.984 1.124 18.168
182 HG22 VAL 22 HG22 VAL 22 18.765 2.046 17.289
183 HG23 VAL 22 HG23 VAL 22 20.187 2.861 17.940
184 H SER 23 H SER 23 17.231 0.816 21.406
185 HA SER 23 HA SER 23 16.470 2.723 23.261
186 HB2 SER 23 HB2 SER 23 15.120 0.750 22.304
187 HB3 SER 23 HB3 SER 23 15.820 -0.198 23.616
188 HG SER 23 HG SER 23 14.186 2.109 23.826
189 H VAL 24 H VAL 24 18.181 -0.340 23.861
190 HA VAL 24 HA VAL 24 18.436 -0.189 26.605
191 HB VAL 24 HB VAL 24 20.472 -1.256 24.645
192 HG11 VAL 24 HG11 VAL 24 20.709 -2.763 26.896
193 HG12 VAL 24 HG12 VAL 24 21.752 -1.399 26.486
194 HG13 VAL 24 HG13 VAL 24 20.384 -1.168 27.575
195 HG21 VAL 24 HG21 VAL 24 17.861 -2.122 25.230
196 HG22 VAL 24 HG22 VAL 24 19.096 -2.965 24.294
197 HG23 VAL 24 HG23 VAL 24 18.954 -3.253 26.028
198 H VAL 25 H VAL 25 20.754 1.014 24.177
199 HA VAL 25 HA VAL 25 22.642 2.105 25.862
200 HB VAL 25 HB VAL 25 21.710 3.203 23.206
201 HG11 VAL 25 HG11 VAL 25 22.945 4.906 24.359
202 HG12 VAL 25 HG12 VAL 25 24.207 3.755 24.802
203 HG13 VAL 25 HG13 VAL 25 23.983 4.213 23.114
204 HG21 VAL 25 HG21 VAL 25 22.831 1.551 22.221
205 HG22 VAL 25 HG22 VAL 25 24.249 1.822 23.234
206 HG23 VAL 25 HG23 VAL 25 22.944 0.782 23.805
207 H ALA 26 H ALA 26 19.829 3.789 24.459
208 HA ALA 26 HA ALA 26 20.158 6.260 25.634
209 HB1 ALA 26 HB1 ALA 26 18.247 6.674 24.585
210 HB2 ALA 26 HB2 ALA 26 18.146 4.960 24.183
211 HB3 ALA 26 HB3 ALA 26 17.372 5.569 25.645
212 H VAL 27 H VAL 27 18.724 3.342 27.007
213 HA VAL 27 HA VAL 27 17.835 4.594 29.414
214 HB VAL 27 HB VAL 27 18.342 1.668 28.852
215 HG11 VAL 27 HG11 VAL 27 16.431 1.701 30.745
216 HG12 VAL 27 HG12 VAL 27 18.154 1.570 31.101
217 HG13 VAL 27 HG13 VAL 27 17.346 3.135 31.209
218 HG21 VAL 27 HG21 VAL 27 15.582 2.351 29.014
219 HG22 VAL 27 HG22 VAL 27 16.361 3.428 27.854
220 HG23 VAL 27 HG23 VAL 27 16.475 1.680 27.649
221 H LEU 28 H LEU 28 20.636 2.575 28.577
222 HA LEU 28 HA LEU 28 21.817 2.307 31.043
223 HB2 LEU 28 HB2 LEU 28 22.916 2.550 28.278
224 HB3 LEU 28 HB3 LEU 28 24.020 2.488 29.650
225 HG LEU 28 HG LEU 28 21.946 0.360 29.332
226 HD11 LEU 28 HD11 LEU 28 24.463 0.666 27.731
227 HD12 LEU 28 HD12 LEU 28 22.838 0.264 27.177
228 HD13 LEU 28 HD13 LEU 28 23.777 -0.919 28.087
229 HD21 LEU 28 HD21 LEU 28 23.111 0.203 31.354
230 HD22 LEU 28 HD22 LEU 28 24.652 0.620 30.604
231 HD23 LEU 28 HD23 LEU 28 23.918 -0.954 30.295
232 H VAL 29 H VAL 29 22.291 4.977 28.736
233 HA VAL 29 HA VAL 29 24.015 6.473 30.411
234 HB VAL 29 HB VAL 29 22.246 7.572 28.227
235 HG11 VAL 29 HG11 VAL 29 23.399 9.186 29.747
236 HG12 VAL 29 HG12 VAL 29 24.937 8.523 29.193
237 HG13 VAL 29 HG13 VAL 29 23.860 9.325 28.050
238 HG21 VAL 29 HG21 VAL 29 24.976 6.305 28.018
239 HG22 VAL 29 HG22 VAL 29 23.470 5.674 27.349
240 HG23 VAL 29 HG23 VAL 29 24.157 7.171 26.718
241 H TYR 30 H TYR 30 20.523 6.614 29.819
242 HA TYR 30 HA TYR 30 19.837 8.879 31.204
243 HB2 TYR 30 HB2 TYR 30 18.465 6.725 30.101
244 HB3 TYR 30 HB3 TYR 30 17.991 6.708 31.796
245 HD1 TYR 30 HD1 TYR 30 16.008 7.789 32.218
246 HD2 TYR 30 HD2 TYR 30 18.561 9.331 29.184
247 HE1 TYR 30 HE1 TYR 30 14.396 9.598 31.789
248 HE2 TYR 30 HE2 TYR 30 16.958 11.144 28.747
249 HH TYR 30 HH TYR 30 13.835 11.116 29.746
250 H LYS 31 H LYS 31 20.498 5.662 32.508
251 HA LYS 31 HA LYS 31 20.005 6.552 35.227
252 HB2 LYS 31 HB2 LYS 31 21.170 3.899 34.404
253 HB3 LYS 31 HB3 LYS 31 20.292 4.291 35.876
254 HG2 LYS 31 HG2 LYS 31 18.231 4.447 34.704
255 HG3 LYS 31 HG3 LYS 31 19.045 4.359 33.141
256 HD2 LYS 31 HD2 LYS 31 19.288 2.111 33.245
257 HD3 LYS 31 HD3 LYS 31 19.547 2.114 34.991
258 HE2 LYS 31 HE2 LYS 31 17.219 2.278 35.422
259 HE3 LYS 31 HE3 LYS 31 16.863 2.631 33.731
260 HZ1 LYS 31 HZ1 LYS 31 16.328 0.341 34.317
261 HZ2 LYS 31 HZ2 LYS 31 17.937 0.058 34.754
262 HZ3 LYS 31 HZ3 LYS 31 17.545 0.400 33.144
263 H PHE 32 H PHE 32 22.762 5.250 33.383
264 HA PHE 32 HA PHE 32 24.724 5.432 35.302
265 HB2 PHE 32 HB2 PHE 32 24.741 5.642 32.322
266 HB3 PHE 32 HB3 PHE 32 26.220 6.015 33.201
267 HD1 PHE 32 HD1 PHE 32 23.596 3.428 33.757
268 HD2 PHE 32 HD2 PHE 32 27.681 4.263 32.905
269 HE1 PHE 32 HE1 PHE 32 24.112 1.026 33.895
270 HE2 PHE 32 HE2 PHE 32 28.204 1.863 33.041
271 HZ PHE 32 HZ PHE 32 26.418 0.241 33.535
272 H TYR 33 H TYR 33 23.119 7.983 33.621
273 HA TYR 33 HA TYR 33 25.021 9.943 34.720
274 HB2 TYR 33 HB2 TYR 33 23.171 10.054 32.346
275 HB3 TYR 33 HB3 TYR 33 23.855 11.513 33.053
276 HD1 TYR 33 HD1 TYR 33 25.087 8.134 32.007
277 HD2 TYR 33 HD2 TYR 33 25.711 12.343 31.980
278 HE1 TYR 33 HE1 TYR 33 27.126 7.817 30.670
279 HE2 TYR 33 HE2 TYR 33 27.751 12.037 30.642
280 HH TYR 33 HH TYR 33 29.471 9.969 30.355
281 H PHE 34 H PHE 34 21.547 9.432 34.135
282 HA PHE 34 HA PHE 34 20.991 11.198 36.426
283 HB2 PHE 34 HB2 PHE 34 19.041 10.502 34.231
284 HB3 PHE 34 HB3 PHE 34 18.910 11.788 35.427
285 HD1 PHE 34 HD1 PHE 34 20.685 10.690 32.390
286 HD2 PHE 34 HD2 PHE 34 19.917 13.901 35.077
287 HE1 PHE 34 HE1 PHE 34 21.728 12.259 30.808
288 HE2 PHE 34 HE2 PHE 34 20.958 15.475 33.498
289 HZ PHE 34 HZ PHE 34 21.864 14.655 31.360
290 H HIS 35 H HIS 35 21.673 8.714 37.134
291 HA HIS 35 HA HIS 35 19.843 6.670 37.154
292 HB2 HIS 35 HB2 HIS 35 21.989 6.295 38.116
293 HB3 HIS 35 HB3 HIS 35 21.760 7.578 39.300
294 HD1 HIS 35 HD1 HIS 35 21.566 6.532 41.524
295 HD2 HIS 35 HD2 HIS 35 19.560 4.345 38.617
296 HE1 HIS 35 HE1 HIS 35 20.470 4.630 42.751
Start of MODEL 2
1 H1 MET 1 H MET 1 4.405 1.636 -0.861
2 HA MET 1 HA MET 1 4.532 1.832 -3.762
3 HB2 MET 1 HB2 MET 1 6.395 2.783 -2.601
4 HB3 MET 1 HB3 MET 1 6.624 1.324 -1.647
5 HG2 MET 1 HG2 MET 1 8.322 1.453 -3.336
6 HG3 MET 1 HG3 MET 1 7.239 0.110 -3.694
7 HE1 MET 1 HE1 MET 1 9.347 1.388 -5.554
8 HE2 MET 1 HE2 MET 1 8.339 0.206 -6.390
9 HE3 MET 1 HE3 MET 1 8.587 1.806 -7.090
10 H ASN 2 H ASN 2 4.900 -0.605 -1.219
11 HA ASN 2 HA ASN 2 5.270 -2.720 -3.170
12 HB2 ASN 2 HB2 ASN 2 4.997 -2.877 -0.160
13 HB3 ASN 2 HB3 ASN 2 5.486 -4.193 -1.223
14 HD21 ASN 2 HD21 ASN 2 6.462 -1.390 0.469
15 HD22 ASN 2 HD22 ASN 2 8.133 -1.431 0.031
16 H ILE 3 H ILE 3 2.998 -1.829 -3.940
17 HA ILE 3 HA ILE 3 0.633 -2.403 -2.653
18 HB ILE 3 HB ILE 3 1.180 -2.732 -5.606
19 HG12 ILE 3 HG12 ILE 3 0.149 -0.335 -4.073
20 HG13 ILE 3 HG13 ILE 3 1.788 -0.504 -4.692
21 HG21 ILE 3 HG21 ILE 3 -1.402 -2.357 -4.096
22 HG22 ILE 3 HG22 ILE 3 -1.239 -2.285 -5.850
23 HG23 ILE 3 HG23 ILE 3 -0.899 -3.789 -4.994
24 HD11 ILE 3 HD11 ILE 3 -0.461 0.552 -5.996
25 HD12 ILE 3 HD12 ILE 3 1.157 0.296 -6.650
26 HD13 ILE 3 HD13 ILE 3 -0.068 -0.962 -6.809
27 H THR 4 H THR 4 2.318 -4.552 -4.951
28 HA THR 4 HA THR 4 0.958 -6.829 -3.662
29 HB THR 4 HB THR 4 1.718 -7.879 -6.033
30 HG1 THR 4 HG1 THR 4 2.373 -6.149 -7.146
31 HG21 THR 4 HG21 THR 4 -0.619 -7.486 -6.782
32 HG22 THR 4 HG22 THR 4 -0.823 -6.358 -5.442
33 HG23 THR 4 HG23 THR 4 -0.510 -8.063 -5.120
34 H SER 5 H SER 5 3.961 -5.425 -4.607
35 HA SER 5 HA SER 5 5.531 -7.810 -4.468
36 HB2 SER 5 HB2 SER 5 6.036 -5.468 -5.590
37 HB3 SER 5 HB3 SER 5 6.737 -5.112 -4.012
38 HG SER 5 HG SER 5 8.403 -6.035 -4.978
39 H GLN 6 H GLN 6 7.554 -7.630 -2.892
40 HA GLN 6 HA GLN 6 6.785 -6.756 -0.229
41 HB2 GLN 6 HB2 GLN 6 7.008 -8.894 0.811
42 HB3 GLN 6 HB3 GLN 6 5.874 -9.077 -0.521
43 HG2 GLN 6 HG2 GLN 6 7.894 -9.861 -1.882
44 HG3 GLN 6 HG3 GLN 6 8.706 -10.028 -0.326
45 HE21 GLN 6 HE21 GLN 6 8.313 -11.775 0.893
46 HE22 GLN 6 HE22 GLN 6 7.177 -13.016 0.498
47 H MET 7 H MET 7 8.630 -7.421 1.366
48 HA MET 7 HA MET 7 11.233 -7.299 0.020
49 HB2 MET 7 HB2 MET 7 10.110 -5.052 1.063
50 HB3 MET 7 HB3 MET 7 11.005 -5.651 2.454
51 HG2 MET 7 HG2 MET 7 12.620 -4.375 1.521
52 HG3 MET 7 HG3 MET 7 12.928 -5.876 0.652
53 HE1 MET 7 HE1 MET 7 13.903 -3.438 -1.871
54 HE2 MET 7 HE2 MET 7 13.259 -2.236 -0.752
55 HE3 MET 7 HE3 MET 7 14.168 -3.618 -0.136
56 H ASN 8 H ASN 8 13.050 -7.798 1.485
57 HA ASN 8 HA ASN 8 12.598 -10.164 2.918
58 HB2 ASN 8 HB2 ASN 8 14.912 -8.304 2.593
59 HB3 ASN 8 HB3 ASN 8 14.989 -9.521 3.864
60 HD21 ASN 8 HD21 ASN 8 15.195 -11.660 3.330
61 HD22 ASN 8 HD22 ASN 8 15.528 -12.203 1.724
62 H LYS 9 H LYS 9 11.603 -10.392 4.798
63 HA LYS 9 HA LYS 9 11.175 -8.216 6.595
64 HB2 LYS 9 HB2 LYS 9 9.620 -10.179 6.224
65 HB3 LYS 9 HB3 LYS 9 10.744 -11.149 7.168
66 HG2 LYS 9 HG2 LYS 9 9.003 -10.472 8.623
67 HG3 LYS 9 HG3 LYS 9 10.430 -9.522 9.045
68 HD2 LYS 9 HD2 LYS 9 9.575 -7.593 7.961
69 HD3 LYS 9 HD3 LYS 9 8.290 -8.518 7.180
70 HE2 LYS 9 HE2 LYS 9 7.460 -7.191 9.074
71 HE3 LYS 9 HE3 LYS 9 7.238 -8.921 9.326
72 HZ1 LYS 9 HZ1 LYS 9 8.796 -8.979 10.969
73 HZ2 LYS 9 HZ2 LYS 9 8.221 -7.404 11.195
74 HZ3 LYS 9 HZ3 LYS 9 9.672 -7.664 10.364
75 H THR 10 H THR 10 13.549 -10.721 6.310
76 HA THR 10 HA THR 10 14.488 -10.933 8.913
77 HB THR 10 HB THR 10 16.530 -10.866 6.755
78 HG1 THR 10 HG1 THR 10 15.717 -12.895 5.964
79 HG21 THR 10 HG21 THR 10 15.807 -12.840 8.924
80 HG22 THR 10 HG22 THR 10 17.121 -11.664 8.969
81 HG23 THR 10 HG23 THR 10 17.174 -13.001 7.822
82 H ILE 11 H ILE 11 15.462 -8.633 6.381
83 HA ILE 11 HA ILE 11 17.430 -7.285 7.834
84 HB ILE 11 HB ILE 11 15.606 -6.095 5.742
85 HG12 ILE 11 HG12 ILE 11 16.729 -8.168 4.979
86 HG13 ILE 11 HG13 ILE 11 17.297 -6.742 4.117
87 HG21 ILE 11 HG21 ILE 11 17.805 -5.040 7.281
88 HG22 ILE 11 HG22 ILE 11 18.160 -4.999 5.555
89 HG23 ILE 11 HG23 ILE 11 16.708 -4.213 6.176
90 HD11 ILE 11 HD11 ILE 11 18.863 -8.658 5.311
91 HD12 ILE 11 HD12 ILE 11 19.388 -7.055 4.795
92 HD13 ILE 11 HD13 ILE 11 18.893 -7.327 6.466
93 H ILE 12 H ILE 12 13.956 -6.616 7.529
94 HA ILE 12 HA ILE 12 13.900 -4.272 9.064
95 HB ILE 12 HB ILE 12 11.716 -6.337 8.759
96 HG12 ILE 12 HG12 ILE 12 12.544 -5.469 6.605
97 HG13 ILE 12 HG13 ILE 12 10.903 -4.924 6.937
98 HG21 ILE 12 HG21 ILE 12 11.275 -4.854 10.619
99 HG22 ILE 12 HG22 ILE 12 11.600 -3.447 9.608
100 HG23 ILE 12 HG23 ILE 12 10.199 -4.466 9.277
101 HD11 ILE 12 HD11 ILE 12 12.144 -3.106 6.023
102 HD12 ILE 12 HD12 ILE 12 11.852 -2.771 7.730
103 HD13 ILE 12 HD13 ILE 12 13.438 -3.330 7.200
104 H GLY 13 H GLY 13 13.391 -7.662 10.015
105 HA2 GLY 13 HA2 GLY 13 12.730 -7.319 12.673
106 HA3 GLY 13 HA3 GLY 13 13.628 -8.696 12.053
107 H VAL 14 H VAL 14 16.031 -8.078 11.556
108 HA VAL 14 HA VAL 14 17.345 -7.662 13.941
109 HB VAL 14 HB VAL 14 18.413 -7.025 11.187
110 HG11 VAL 14 HG11 VAL 14 19.623 -7.077 13.871
111 HG12 VAL 14 HG12 VAL 14 20.533 -7.906 12.606
112 HG13 VAL 14 HG13 VAL 14 20.112 -6.203 12.420
113 HG21 VAL 14 HG21 VAL 14 17.663 -9.507 12.421
114 HG22 VAL 14 HG22 VAL 14 18.262 -9.208 10.789
115 HG23 VAL 14 HG23 VAL 14 19.399 -9.483 12.109
116 H SER 15 H SER 15 16.570 -5.282 11.431
117 HA SER 15 HA SER 15 17.923 -3.083 12.393
118 HB2 SER 15 HB2 SER 15 16.374 -3.395 10.291
119 HB3 SER 15 HB3 SER 15 15.134 -2.732 11.354
120 HG SER 15 HG SER 15 16.383 -1.184 10.051
121 H VAL 16 H VAL 16 14.672 -4.195 13.296
122 HA VAL 16 HA VAL 16 14.126 -2.128 15.132
123 HB VAL 16 HB VAL 16 13.035 -4.932 15.316
124 HG11 VAL 16 HG11 VAL 16 12.147 -3.879 17.124
125 HG12 VAL 16 HG12 VAL 16 12.290 -2.276 16.400
126 HG13 VAL 16 HG13 VAL 16 10.979 -3.351 15.912
127 HG21 VAL 16 HG21 VAL 16 12.324 -4.657 13.211
128 HG22 VAL 16 HG22 VAL 16 11.182 -3.499 13.894
129 HG23 VAL 16 HG23 VAL 16 12.706 -2.935 13.210
130 H LEU 17 H LEU 17 15.507 -5.366 15.565
131 HA LEU 17 HA LEU 17 15.675 -5.362 18.350
132 HB2 LEU 17 HB2 LEU 17 17.377 -6.690 16.256
133 HB3 LEU 17 HB3 LEU 17 17.586 -6.975 17.982
134 HG LEU 17 HG LEU 17 14.992 -7.501 16.549
135 HD11 LEU 17 HD11 LEU 17 15.773 -9.388 15.687
136 HD12 LEU 17 HD12 LEU 17 16.463 -9.872 17.236
137 HD13 LEU 17 HD13 LEU 17 17.398 -8.864 16.132
138 HD21 LEU 17 HD21 LEU 17 15.109 -9.205 18.627
139 HD22 LEU 17 HD22 LEU 17 14.391 -7.597 18.722
140 HD23 LEU 17 HD23 LEU 17 16.044 -7.860 19.280
141 H SER 18 H SER 18 17.834 -4.025 15.913
142 HA SER 18 HA SER 18 19.921 -3.363 17.748
143 HB2 SER 18 HB2 SER 18 19.491 -3.225 14.910
144 HB3 SER 18 HB3 SER 18 20.094 -1.671 15.486
145 HG SER 18 HG SER 18 21.835 -2.778 16.448
146 H VAL 19 H VAL 19 17.068 -1.746 16.538
147 HA VAL 19 HA VAL 19 17.724 0.881 17.346
148 HB VAL 19 HB VAL 19 15.008 -0.398 17.006
149 HG11 VAL 19 HG11 VAL 19 14.434 2.116 16.586
150 HG12 VAL 19 HG12 VAL 19 14.504 1.485 18.233
151 HG13 VAL 19 HG13 VAL 19 15.862 2.403 17.580
152 HG21 VAL 19 HG21 VAL 19 15.228 -0.115 14.805
153 HG22 VAL 19 HG22 VAL 19 15.856 1.522 15.003
154 HG23 VAL 19 HG23 VAL 19 16.947 0.140 15.106
155 H LEU 20 H LEU 20 15.665 -1.578 18.907
156 HA LEU 20 HA LEU 20 15.165 -0.109 21.248
157 HB2 LEU 20 HB2 LEU 20 14.649 -2.369 22.237
158 HB3 LEU 20 HB3 LEU 20 13.750 -1.929 20.787
159 HG LEU 20 HG LEU 20 15.854 -3.321 19.740
160 HD11 LEU 20 HD11 LEU 20 16.282 -3.847 22.294
161 HD12 LEU 20 HD12 LEU 20 16.513 -5.069 21.043
162 HD13 LEU 20 HD13 LEU 20 15.034 -5.060 22.004
163 HD21 LEU 20 HD21 LEU 20 14.153 -5.242 19.709
164 HD22 LEU 20 HD22 LEU 20 13.697 -3.719 18.946
165 HD23 LEU 20 HD23 LEU 20 13.079 -4.123 20.549
166 H VAL 21 H VAL 21 17.568 -2.651 20.589
167 HA VAL 21 HA VAL 21 18.771 -2.842 23.051
168 HB VAL 21 HB VAL 21 19.951 -3.040 20.290
169 HG11 VAL 21 HG11 VAL 21 21.901 -2.535 21.368
170 HG12 VAL 21 HG12 VAL 21 21.320 -3.121 22.929
171 HG13 VAL 21 HG13 VAL 21 21.826 -4.268 21.687
172 HG21 VAL 21 HG21 VAL 21 18.352 -4.738 21.751
173 HG22 VAL 21 HG22 VAL 21 19.369 -5.196 20.385
174 HG23 VAL 21 HG23 VAL 21 19.973 -5.373 22.032
175 H VAL 22 H VAL 22 19.927 -0.745 20.401
176 HA VAL 22 HA VAL 22 21.876 0.627 21.789
177 HB VAL 22 HB VAL 22 20.069 1.704 19.619
178 HG11 VAL 22 HG11 VAL 22 21.095 3.563 20.699
179 HG12 VAL 22 HG12 VAL 22 22.660 2.750 20.744
180 HG13 VAL 22 HG13 VAL 22 21.981 3.272 19.202
181 HG21 VAL 22 HG21 VAL 22 22.841 0.970 19.002
182 HG22 VAL 22 HG22 VAL 22 21.804 -0.385 19.448
183 HG23 VAL 22 HG23 VAL 22 21.357 0.661 18.101
184 H SER 23 H SER 23 18.472 1.595 21.365
185 HA SER 23 HA SER 23 18.516 3.943 22.825
186 HB2 SER 23 HB2 SER 23 16.567 2.434 21.575
187 HB3 SER 23 HB3 SER 23 16.076 2.389 23.268
188 HG SER 23 HG SER 23 15.459 4.378 23.079
189 H VAL 24 H VAL 24 17.760 0.669 24.005
190 HA VAL 24 HA VAL 24 17.273 1.239 26.658
191 HB VAL 24 HB VAL 24 18.704 -1.183 25.556
192 HG11 VAL 24 HG11 VAL 24 17.980 -0.407 28.258
193 HG12 VAL 24 HG12 VAL 24 17.259 -1.946 27.784
194 HG13 VAL 24 HG13 VAL 24 19.007 -1.726 27.698
195 HG21 VAL 24 HG21 VAL 24 16.744 -1.903 24.789
196 HG22 VAL 24 HG22 VAL 24 15.948 -1.558 26.325
197 HG23 VAL 24 HG23 VAL 24 16.100 -0.291 25.107
198 H VAL 25 H VAL 25 20.415 0.377 25.208
199 HA VAL 25 HA VAL 25 22.007 0.544 27.452
200 HB VAL 25 HB VAL 25 22.722 1.386 24.639
201 HG11 VAL 25 HG11 VAL 25 25.054 0.860 25.373
202 HG12 VAL 25 HG12 VAL 25 24.354 2.292 26.130
203 HG13 VAL 25 HG13 VAL 25 24.454 0.777 27.028
204 HG21 VAL 25 HG21 VAL 25 21.864 -1.010 25.202
205 HG22 VAL 25 HG22 VAL 25 23.295 -0.806 24.192
206 HG23 VAL 25 HG23 VAL 25 23.471 -1.218 25.898
207 H ALA 26 H ALA 26 21.318 3.175 25.145
208 HA ALA 26 HA ALA 26 22.716 5.213 26.365
209 HB1 ALA 26 HB1 ALA 26 20.810 6.688 25.393
210 HB2 ALA 26 HB2 ALA 26 21.845 5.769 24.299
211 HB3 ALA 26 HB3 ALA 26 20.235 5.172 24.699
212 H VAL 27 H VAL 27 19.495 3.987 27.133
213 HA VAL 27 HA VAL 27 18.903 5.995 29.071
214 HB VAL 27 HB VAL 27 17.683 3.249 28.748
215 HG11 VAL 27 HG11 VAL 27 15.913 5.236 29.801
216 HG12 VAL 27 HG12 VAL 27 16.415 3.702 30.514
217 HG13 VAL 27 HG13 VAL 27 17.370 5.159 30.792
218 HG21 VAL 27 HG21 VAL 27 15.859 5.035 27.800
219 HG22 VAL 27 HG22 VAL 27 17.375 5.760 27.265
220 HG23 VAL 27 HG23 VAL 27 16.974 4.107 26.798
221 H LEU 28 H LEU 28 20.021 2.629 29.281
222 HA LEU 28 HA LEU 28 20.045 2.277 32.006
223 HB2 LEU 28 HB2 LEU 28 21.982 1.314 29.916
224 HB3 LEU 28 HB3 LEU 28 22.037 0.779 31.595
225 HG LEU 28 HG LEU 28 19.554 0.440 29.948
226 HD11 LEU 28 HD11 LEU 28 20.736 -2.014 29.902
227 HD12 LEU 28 HD12 LEU 28 22.113 -0.944 29.639
228 HD13 LEU 28 HD13 LEU 28 20.721 -0.871 28.559
229 HD21 LEU 28 HD21 LEU 28 19.734 0.141 32.508
230 HD22 LEU 28 HD22 LEU 28 20.593 -1.348 32.114
231 HD23 LEU 28 HD23 LEU 28 18.935 -1.112 31.559
232 H VAL 29 H VAL 29 22.669 3.637 30.020
233 HA VAL 29 HA VAL 29 24.377 4.225 32.196
234 HB VAL 29 HB VAL 29 24.336 5.640 29.530
235 HG11 VAL 29 HG11 VAL 29 25.747 6.649 31.272
236 HG12 VAL 29 HG12 VAL 29 26.590 5.110 31.464
237 HG13 VAL 29 HG13 VAL 29 26.700 5.994 29.942
238 HG21 VAL 29 HG21 VAL 29 24.353 3.264 29.112
239 HG22 VAL 29 HG22 VAL 29 25.961 3.918 28.802
240 HG23 VAL 29 HG23 VAL 29 25.643 3.030 30.292
241 H TYR 30 H TYR 30 22.014 6.173 30.412
242 HA TYR 30 HA TYR 30 22.474 8.664 31.465
243 HB2 TYR 30 HB2 TYR 30 20.468 7.483 29.945
244 HB3 TYR 30 HB3 TYR 30 19.621 8.089 31.364
245 HD1 TYR 30 HD1 TYR 30 18.826 10.252 31.286
246 HD2 TYR 30 HD2 TYR 30 22.201 9.228 28.907
247 HE1 TYR 30 HE1 TYR 30 18.826 12.515 30.324
248 HE2 TYR 30 HE2 TYR 30 22.212 11.489 27.939
249 HH TYR 30 HH TYR 30 19.850 13.462 27.850
250 H LYS 31 H LYS 31 20.661 6.000 32.915
251 HA LYS 31 HA LYS 31 20.056 7.562 35.284
252 HB2 LYS 31 HB2 LYS 31 19.576 4.610 34.925
253 HB3 LYS 31 HB3 LYS 31 18.736 5.727 35.993
254 HG2 LYS 31 HG2 LYS 31 17.613 6.756 34.170
255 HG3 LYS 31 HG3 LYS 31 18.617 5.905 32.994
256 HD2 LYS 31 HD2 LYS 31 16.753 4.586 32.927
257 HD3 LYS 31 HD3 LYS 31 17.630 3.783 34.232
258 HE2 LYS 31 HE2 LYS 31 15.583 4.008 35.219
259 HE3 LYS 31 HE3 LYS 31 16.324 5.529 35.716
260 HZ1 LYS 31 HZ1 LYS 31 14.227 5.048 33.723
261 HZ2 LYS 31 HZ2 LYS 31 15.266 6.363 33.498
262 HZ3 LYS 31 HZ3 LYS 31 14.332 6.255 34.904
263 H PHE 32 H PHE 32 21.867 4.587 34.536
264 HA PHE 32 HA PHE 32 22.902 4.040 37.026
265 HB2 PHE 32 HB2 PHE 32 23.869 3.561 34.243
266 HB3 PHE 32 HB3 PHE 32 24.975 3.243 35.576
267 HD1 PHE 32 HD1 PHE 32 23.435 2.064 37.633
268 HD2 PHE 32 HD2 PHE 32 23.008 1.606 33.423
269 HE1 PHE 32 HE1 PHE 32 22.382 -0.132 37.983
270 HE2 PHE 32 HE2 PHE 32 21.954 -0.590 33.766
271 HZ PHE 32 HZ PHE 32 21.639 -1.462 36.048
272 H TYR 33 H TYR 33 23.708 6.625 34.882
273 HA TYR 33 HA TYR 33 25.988 7.366 36.591
274 HB2 TYR 33 HB2 TYR 33 25.350 7.977 33.712
275 HB3 TYR 33 HB3 TYR 33 26.525 8.926 34.616
276 HD1 TYR 33 HD1 TYR 33 28.721 8.341 34.268
277 HD2 TYR 33 HD2 TYR 33 25.753 5.298 34.099
278 HE1 TYR 33 HE1 TYR 33 30.461 6.681 33.755
279 HE2 TYR 33 HE2 TYR 33 27.485 3.629 33.587
280 HH TYR 33 HH TYR 33 29.638 3.269 33.201
281 H PHE 34 H PHE 34 23.334 8.851 34.729
282 HA PHE 34 HA PHE 34 23.311 11.059 36.671
283 HB2 PHE 34 HB2 PHE 34 21.987 11.056 33.960
284 HB3 PHE 34 HB3 PHE 34 22.338 12.440 34.990
285 HD1 PHE 34 HD1 PHE 34 24.455 13.502 34.948
286 HD2 PHE 34 HD2 PHE 34 23.827 9.885 32.795
287 HE1 PHE 34 HE1 PHE 34 26.595 13.831 33.779
288 HE2 PHE 34 HE2 PHE 34 25.966 10.207 31.623
289 HZ PHE 34 HZ PHE 34 27.354 12.182 32.115
290 H HIS 35 H HIS 35 22.161 8.780 37.581
291 HA HIS 35 HA HIS 35 19.530 8.221 37.038
292 HB2 HIS 35 HB2 HIS 35 21.291 7.394 38.926
293 HB3 HIS 35 HB3 HIS 35 20.188 8.344 39.918
294 HD1 HIS 35 HD1 HIS 35 17.515 7.649 39.374
295 HD2 HIS 35 HD2 HIS 35 20.493 4.830 38.706
296 HE1 HIS 35 HE1 HIS 35 16.342 5.425 39.348
Start of MODEL 3
1 H1 MET 1 H MET 1 9.430 0.126 7.067
2 HA MET 1 HA MET 1 10.503 2.154 5.219
3 HB2 MET 1 HB2 MET 1 11.720 -0.395 6.274
4 HB3 MET 1 HB3 MET 1 12.378 0.466 4.889
5 HG2 MET 1 HG2 MET 1 11.930 1.935 7.440
6 HG3 MET 1 HG3 MET 1 13.324 0.868 7.284
7 HE1 MET 1 HE1 MET 1 15.061 4.191 6.973
8 HE2 MET 1 HE2 MET 1 13.402 4.533 7.460
9 HE3 MET 1 HE3 MET 1 14.235 3.118 8.103
10 H ASN 2 H ASN 2 9.102 -1.052 5.510
11 HA ASN 2 HA ASN 2 8.938 -1.226 2.578
12 HB2 ASN 2 HB2 ASN 2 8.348 -3.673 3.095
13 HB3 ASN 2 HB3 ASN 2 10.016 -3.169 3.356
14 HD21 ASN 2 HD21 ASN 2 10.666 -4.439 4.965
15 HD22 ASN 2 HD22 ASN 2 9.899 -4.563 6.508
16 H ILE 3 H ILE 3 7.174 0.515 3.408
17 HA ILE 3 HA ILE 3 4.758 -0.239 4.486
18 HB ILE 3 HB ILE 3 5.156 1.708 2.211
19 HG12 ILE 3 HG12 ILE 3 6.555 2.144 4.234
20 HG13 ILE 3 HG13 ILE 3 5.382 3.414 3.905
21 HG21 ILE 3 HG21 ILE 3 2.860 1.350 2.313
22 HG22 ILE 3 HG22 ILE 3 2.868 1.166 4.066
23 HG23 ILE 3 HG23 ILE 3 3.095 2.759 3.346
24 HD11 ILE 3 HD11 ILE 3 4.528 3.190 5.929
25 HD12 ILE 3 HD12 ILE 3 4.221 1.476 5.652
26 HD13 ILE 3 HD13 ILE 3 5.778 2.001 6.292
27 H THR 4 H THR 4 5.534 -0.143 1.004
28 HA THR 4 HA THR 4 3.412 -2.146 0.579
29 HB THR 4 HB THR 4 3.740 -1.121 -1.899
30 HG1 THR 4 HG1 THR 4 4.064 1.091 -0.129
31 HG21 THR 4 HG21 THR 4 1.945 -0.112 0.307
32 HG22 THR 4 HG22 THR 4 1.592 -1.380 -0.867
33 HG23 THR 4 HG23 THR 4 1.737 0.296 -1.396
34 H SER 5 H SER 5 6.729 -1.320 0.129
35 HA SER 5 HA SER 5 7.497 -2.890 -2.007
36 HB2 SER 5 HB2 SER 5 9.128 -2.659 0.522
37 HB3 SER 5 HB3 SER 5 9.709 -2.815 -1.136
38 HG SER 5 HG SER 5 9.829 -0.711 -0.976
39 H GLN 6 H GLN 6 8.857 -4.942 -1.816
40 HA GLN 6 HA GLN 6 7.191 -7.020 -0.842
41 HB2 GLN 6 HB2 GLN 6 8.822 -8.531 -1.714
42 HB3 GLN 6 HB3 GLN 6 8.714 -7.177 -2.831
43 HG2 GLN 6 HG2 GLN 6 10.973 -7.422 -2.702
44 HG3 GLN 6 HG3 GLN 6 10.712 -6.252 -1.410
45 HE21 GLN 6 HE21 GLN 6 12.902 -7.235 -0.902
46 HE22 GLN 6 HE22 GLN 6 12.903 -8.587 0.173
47 H MET 7 H MET 7 7.399 -8.366 0.906
48 HA MET 7 HA MET 7 9.157 -7.394 3.036
49 HB2 MET 7 HB2 MET 7 6.651 -9.051 3.009
50 HB3 MET 7 HB3 MET 7 7.696 -9.020 4.423
51 HG2 MET 7 HG2 MET 7 6.816 -6.436 3.250
52 HG3 MET 7 HG3 MET 7 5.659 -7.384 4.181
53 HE1 MET 7 HE1 MET 7 5.096 -6.069 5.739
54 HE2 MET 7 HE2 MET 7 5.867 -6.208 7.319
55 HE3 MET 7 HE3 MET 7 6.089 -4.747 6.355
56 H ASN 8 H ASN 8 10.558 -8.743 4.162
57 HA ASN 8 HA ASN 8 10.863 -11.503 3.284
58 HB2 ASN 8 HB2 ASN 8 12.315 -9.788 1.900
59 HB3 ASN 8 HB3 ASN 8 13.348 -9.839 3.325
60 HD21 ASN 8 HD21 ASN 8 11.754 -11.897 0.941
61 HD22 ASN 8 HD22 ASN 8 12.961 -13.134 0.941
62 H LYS 9 H LYS 9 11.845 -12.829 4.788
63 HA LYS 9 HA LYS 9 11.624 -12.177 7.474
64 HB2 LYS 9 HB2 LYS 9 11.722 -14.486 6.576
65 HB3 LYS 9 HB3 LYS 9 13.439 -14.270 6.260
66 HG2 LYS 9 HG2 LYS 9 13.406 -15.427 8.264
67 HG3 LYS 9 HG3 LYS 9 13.618 -13.750 8.774
68 HD2 LYS 9 HD2 LYS 9 11.072 -13.682 8.996
69 HD3 LYS 9 HD3 LYS 9 11.135 -15.442 8.878
70 HE2 LYS 9 HE2 LYS 9 12.811 -13.940 10.863
71 HE3 LYS 9 HE3 LYS 9 11.141 -14.378 11.217
72 HZ1 LYS 9 HZ1 LYS 9 12.236 -16.685 10.282
73 HZ2 LYS 9 HZ2 LYS 9 11.978 -16.303 11.909
74 HZ3 LYS 9 HZ3 LYS 9 13.488 -16.018 11.203
75 H THR 10 H THR 10 14.456 -12.061 5.362
76 HA THR 10 HA THR 10 16.413 -11.518 7.265
77 HB THR 10 HB THR 10 16.628 -10.079 4.677
78 HG1 THR 10 HG1 THR 10 16.350 -12.899 4.918
79 HG21 THR 10 HG21 THR 10 18.424 -11.989 6.178
80 HG22 THR 10 HG22 THR 10 18.533 -10.229 6.186
81 HG23 THR 10 HG23 THR 10 18.857 -11.126 4.703
82 H ILE 11 H ILE 11 14.510 -9.203 5.334
83 HA ILE 11 HA ILE 11 15.539 -6.853 6.381
84 HB ILE 11 HB ILE 11 12.677 -7.332 5.542
85 HG12 ILE 11 HG12 ILE 11 14.956 -6.276 3.865
86 HG13 ILE 11 HG13 ILE 11 14.477 -7.970 3.874
87 HG21 ILE 11 HG21 ILE 11 12.930 -5.255 6.758
88 HG22 ILE 11 HG22 ILE 11 14.294 -4.796 5.740
89 HG23 ILE 11 HG23 ILE 11 12.678 -4.920 5.045
90 HD11 ILE 11 HD11 ILE 11 12.454 -5.858 3.293
91 HD12 ILE 11 HD12 ILE 11 13.578 -6.383 2.039
92 HD13 ILE 11 HD13 ILE 11 12.490 -7.549 2.793
93 H ILE 12 H ILE 12 12.653 -8.635 7.477
94 HA ILE 12 HA ILE 12 11.940 -7.011 9.601
95 HB ILE 12 HB ILE 12 11.718 -10.021 9.474
96 HG12 ILE 12 HG12 ILE 12 10.685 -8.857 7.550
97 HG13 ILE 12 HG13 ILE 12 9.486 -9.635 8.578
98 HG21 ILE 12 HG21 ILE 12 9.803 -9.667 11.027
99 HG22 ILE 12 HG22 ILE 12 11.375 -9.281 11.725
100 HG23 ILE 12 HG23 ILE 12 10.307 -7.984 11.187
101 HD11 ILE 12 HD11 ILE 12 8.977 -7.479 9.605
102 HD12 ILE 12 HD12 ILE 12 10.170 -6.705 8.562
103 HD13 ILE 12 HD13 ILE 12 8.734 -7.449 7.859
104 H GLY 13 H GLY 13 14.217 -9.738 9.566
105 HA2 GLY 13 HA2 GLY 13 14.821 -9.902 12.256
106 HA3 GLY 13 HA3 GLY 13 15.967 -10.243 10.967
107 H VAL 14 H VAL 14 16.818 -8.111 9.904
108 HA VAL 14 HA VAL 14 18.459 -6.823 11.702
109 HB VAL 14 HB VAL 14 17.435 -5.681 9.099
110 HG11 VAL 14 HG11 VAL 14 19.362 -4.738 11.076
111 HG12 VAL 14 HG12 VAL 14 20.015 -4.819 9.439
112 HG13 VAL 14 HG13 VAL 14 18.565 -3.869 9.766
113 HG21 VAL 14 HG21 VAL 14 19.627 -7.617 9.751
114 HG22 VAL 14 HG22 VAL 14 18.374 -7.731 8.515
115 HG23 VAL 14 HG23 VAL 14 19.712 -6.600 8.312
116 H SER 15 H SER 15 15.300 -5.770 10.489
117 HA SER 15 HA SER 15 15.167 -3.240 11.571
118 HB2 SER 15 HB2 SER 15 12.871 -5.209 11.473
119 HB3 SER 15 HB3 SER 15 12.754 -3.450 11.483
120 HG SER 15 HG SER 15 13.477 -5.180 9.420
121 H VAL 16 H VAL 16 14.305 -6.314 13.129
122 HA VAL 16 HA VAL 16 13.494 -5.207 15.590
123 HB VAL 16 HB VAL 16 14.705 -7.946 15.245
124 HG11 VAL 16 HG11 VAL 16 13.115 -6.568 17.313
125 HG12 VAL 16 HG12 VAL 16 12.655 -8.235 16.962
126 HG13 VAL 16 HG13 VAL 16 14.304 -7.862 17.466
127 HG21 VAL 16 HG21 VAL 16 12.255 -6.832 14.113
128 HG22 VAL 16 HG22 VAL 16 13.119 -8.315 13.707
129 HG23 VAL 16 HG23 VAL 16 11.992 -8.294 15.064
130 H LEU 17 H LEU 17 16.614 -6.483 14.488
131 HA LEU 17 HA LEU 17 18.003 -6.293 16.900
132 HB2 LEU 17 HB2 LEU 17 18.840 -6.184 14.027
133 HB3 LEU 17 HB3 LEU 17 20.021 -5.949 15.315
134 HG LEU 17 HG LEU 17 18.287 -8.397 15.219
135 HD11 LEU 17 HD11 LEU 17 20.564 -7.689 13.486
136 HD12 LEU 17 HD12 LEU 17 19.243 -8.827 13.223
137 HD13 LEU 17 HD13 LEU 17 20.618 -9.289 14.226
138 HD21 LEU 17 HD21 LEU 17 20.994 -8.684 16.163
139 HD22 LEU 17 HD22 LEU 17 19.473 -9.023 16.990
140 HD23 LEU 17 HD23 LEU 17 20.157 -7.398 17.032
141 H SER 18 H SER 18 17.358 -3.874 14.422
142 HA SER 18 HA SER 18 19.057 -1.878 15.551
143 HB2 SER 18 HB2 SER 18 18.573 -1.646 13.239
144 HB3 SER 18 HB3 SER 18 16.837 -1.791 13.509
145 HG SER 18 HG SER 18 18.508 0.400 13.806
146 H VAL 19 H VAL 19 15.706 -2.799 15.951
147 HA VAL 19 HA VAL 19 14.806 -0.477 17.280
148 HB VAL 19 HB VAL 19 13.801 -3.318 17.499
149 HG11 VAL 19 HG11 VAL 19 11.655 -1.794 18.043
150 HG12 VAL 19 HG12 VAL 19 12.723 -2.449 19.286
151 HG13 VAL 19 HG13 VAL 19 12.925 -0.785 18.736
152 HG21 VAL 19 HG21 VAL 19 12.656 -3.003 15.600
153 HG22 VAL 19 HG22 VAL 19 12.220 -1.348 16.027
154 HG23 VAL 19 HG23 VAL 19 13.791 -1.686 15.302
155 H LEU 20 H LEU 20 15.812 -3.637 18.594
156 HA LEU 20 HA LEU 20 15.660 -2.912 21.297
157 HB2 LEU 20 HB2 LEU 20 17.259 -4.834 21.631
158 HB3 LEU 20 HB3 LEU 20 15.751 -5.205 20.797
159 HG LEU 20 HG LEU 20 17.426 -4.704 18.704
160 HD11 LEU 20 HD11 LEU 20 19.223 -4.686 20.650
161 HD12 LEU 20 HD12 LEU 20 19.565 -5.383 19.068
162 HD13 LEU 20 HD13 LEU 20 19.125 -6.431 20.416
163 HD21 LEU 20 HD21 LEU 20 17.647 -7.284 18.710
164 HD22 LEU 20 HD22 LEU 20 16.044 -6.559 18.584
165 HD23 LEU 20 HD23 LEU 20 16.602 -7.203 20.128
166 H VAL 21 H VAL 21 18.450 -2.967 19.090
167 HA VAL 21 HA VAL 21 20.451 -2.189 20.804
168 HB VAL 21 HB VAL 21 20.012 -1.533 17.901
169 HG11 VAL 21 HG11 VAL 21 22.232 -0.661 19.714
170 HG12 VAL 21 HG12 VAL 21 22.516 -0.925 17.993
171 HG13 VAL 21 HG13 VAL 21 21.338 0.277 18.519
172 HG21 VAL 21 HG21 VAL 21 22.339 -3.098 18.682
173 HG22 VAL 21 HG22 VAL 21 20.817 -3.832 19.188
174 HG23 VAL 21 HG23 VAL 21 21.088 -3.448 17.488
175 H VAL 22 H VAL 22 18.462 0.012 18.820
176 HA VAL 22 HA VAL 22 19.446 2.411 19.811
177 HB VAL 22 HB VAL 22 16.646 1.802 18.854
178 HG11 VAL 22 HG11 VAL 22 18.031 4.366 19.534
179 HG12 VAL 22 HG12 VAL 22 16.779 4.329 18.290
180 HG13 VAL 22 HG13 VAL 22 16.399 3.834 19.940
181 HG21 VAL 22 HG21 VAL 22 17.350 2.168 16.716
182 HG22 VAL 22 HG22 VAL 22 18.658 3.243 17.210
183 HG23 VAL 22 HG23 VAL 22 18.836 1.498 17.391
184 H SER 23 H SER 23 16.545 0.637 20.884
185 HA SER 23 HA SER 23 15.754 2.309 22.933
186 HB2 SER 23 HB2 SER 23 14.473 0.335 22.118
187 HB3 SER 23 HB3 SER 23 15.608 -0.715 22.966
188 HG SER 23 HG SER 23 13.861 1.209 24.103
189 H VAL 24 H VAL 24 17.946 -0.488 23.160
190 HA VAL 24 HA VAL 24 18.527 -0.398 25.854
191 HB VAL 24 HB VAL 24 20.434 -1.068 23.607
192 HG11 VAL 24 HG11 VAL 24 21.953 -1.115 25.253
193 HG12 VAL 24 HG12 VAL 24 20.723 -1.073 26.518
194 HG13 VAL 24 HG13 VAL 24 21.149 -2.603 25.751
195 HG21 VAL 24 HG21 VAL 24 18.073 -2.343 24.447
196 HG22 VAL 24 HG22 VAL 24 19.293 -2.956 23.331
197 HG23 VAL 24 HG23 VAL 24 19.410 -3.322 25.052
198 H VAL 25 H VAL 25 20.327 1.229 23.240
199 HA VAL 25 HA VAL 25 22.226 2.534 24.754
200 HB VAL 25 HB VAL 25 20.833 3.574 22.282
201 HG11 VAL 25 HG11 VAL 25 23.389 4.431 23.628
202 HG12 VAL 25 HG12 VAL 25 22.936 4.891 21.986
203 HG13 VAL 25 HG13 VAL 25 21.943 5.401 23.352
204 HG21 VAL 25 HG21 VAL 25 22.160 1.292 22.377
205 HG22 VAL 25 HG22 VAL 25 22.311 2.388 21.003
206 HG23 VAL 25 HG23 VAL 25 23.551 2.369 22.257
207 H ALA 26 H ALA 26 19.074 3.859 23.732
208 HA ALA 26 HA ALA 26 19.188 6.292 25.023
209 HB1 ALA 26 HB1 ALA 26 17.234 4.800 23.679
210 HB2 ALA 26 HB2 ALA 26 16.531 5.226 25.240
211 HB3 ALA 26 HB3 ALA 26 17.146 6.490 24.176
212 H VAL 27 H VAL 27 18.473 3.125 26.350
213 HA VAL 27 HA VAL 27 17.558 4.086 28.885
214 HB VAL 27 HB VAL 27 18.565 1.343 28.116
215 HG11 VAL 27 HG11 VAL 27 17.012 2.262 30.533
216 HG12 VAL 27 HG12 VAL 27 17.360 0.582 30.121
217 HG13 VAL 27 HG13 VAL 27 18.678 1.685 30.516
218 HG21 VAL 27 HG21 VAL 27 16.628 1.049 27.074
219 HG22 VAL 27 HG22 VAL 27 15.760 1.438 28.558
220 HG23 VAL 27 HG23 VAL 27 16.183 2.719 27.423
221 H LEU 28 H LEU 28 20.598 2.631 27.745
222 HA LEU 28 HA LEU 28 22.008 2.584 30.113
223 HB2 LEU 28 HB2 LEU 28 22.822 2.961 27.263
224 HB3 LEU 28 HB3 LEU 28 24.028 3.079 28.543
225 HG LEU 28 HG LEU 28 22.285 0.657 28.383
226 HD11 LEU 28 HD11 LEU 28 24.106 -0.365 26.963
227 HD12 LEU 28 HD12 LEU 28 24.640 1.281 26.621
228 HD13 LEU 28 HD13 LEU 28 23.024 0.762 26.143
229 HD21 LEU 28 HD21 LEU 28 25.176 0.577 28.995
230 HD22 LEU 28 HD22 LEU 28 23.830 -0.283 29.744
231 HD23 LEU 28 HD23 LEU 28 24.143 1.402 30.163
232 H VAL 29 H VAL 29 21.670 5.271 27.822
233 HA VAL 29 HA VAL 29 23.343 7.065 29.245
234 HB VAL 29 HB VAL 29 21.099 7.785 27.357
235 HG11 VAL 29 HG11 VAL 29 23.625 9.263 28.087
236 HG12 VAL 29 HG12 VAL 29 22.382 9.809 26.960
237 HG13 VAL 29 HG13 VAL 29 22.008 9.647 28.676
238 HG21 VAL 29 HG21 VAL 29 22.722 7.700 25.568
239 HG22 VAL 29 HG22 VAL 29 23.991 7.229 26.698
240 HG23 VAL 29 HG23 VAL 29 22.649 6.131 26.371
241 H TYR 30 H TYR 30 19.810 6.684 29.100
242 HA TYR 30 HA TYR 30 19.019 8.770 30.701
243 HB2 TYR 30 HB2 TYR 30 17.817 6.477 29.635
244 HB3 TYR 30 HB3 TYR 30 17.513 6.387 31.367
245 HD1 TYR 30 HD1 TYR 30 15.615 7.421 32.174
246 HD2 TYR 30 HD2 TYR 30 17.378 8.891 28.592
247 HE1 TYR 30 HE1 TYR 30 13.774 9.034 31.938
248 HE2 TYR 30 HE2 TYR 30 15.542 10.510 28.346
249 HH TYR 30 HH TYR 30 13.780 11.466 29.380
250 H LYS 31 H LYS 31 20.349 5.661 31.670
251 HA LYS 31 HA LYS 31 19.985 6.235 34.490
252 HB2 LYS 31 HB2 LYS 31 21.651 3.966 33.473
253 HB3 LYS 31 HB3 LYS 31 20.626 4.042 34.900
254 HG2 LYS 31 HG2 LYS 31 19.081 4.364 32.482
255 HG3 LYS 31 HG3 LYS 31 20.018 2.868 32.461
256 HD2 LYS 31 HD2 LYS 31 18.986 2.992 35.034
257 HD3 LYS 31 HD3 LYS 31 17.667 3.564 34.010
258 HE2 LYS 31 HE2 LYS 31 17.572 1.141 34.328
259 HE3 LYS 31 HE3 LYS 31 17.845 1.560 32.638
260 HZ1 LYS 31 HZ1 LYS 31 20.258 1.169 34.169
261 HZ2 LYS 31 HZ2 LYS 31 19.839 0.579 32.640
262 HZ3 LYS 31 HZ3 LYS 31 19.301 -0.220 34.031
263 H PHE 32 H PHE 32 22.769 5.579 32.357
264 HA PHE 32 HA PHE 32 24.808 6.115 34.127
265 HB2 PHE 32 HB2 PHE 32 24.543 6.351 31.161
266 HB3 PHE 32 HB3 PHE 32 25.986 7.004 31.931
267 HD1 PHE 32 HD1 PHE 32 27.732 5.580 31.461
268 HD2 PHE 32 HD2 PHE 32 23.985 3.944 32.647
269 HE1 PHE 32 HE1 PHE 32 28.729 3.331 31.499
270 HE2 PHE 32 HE2 PHE 32 24.977 1.693 32.687
271 HZ PHE 32 HZ PHE 32 27.352 1.384 32.114
272 H TYR 33 H TYR 33 22.603 8.320 32.652
273 HA TYR 33 HA TYR 33 24.186 10.607 33.616
274 HB2 TYR 33 HB2 TYR 33 22.073 10.382 31.479
275 HB3 TYR 33 HB3 TYR 33 22.574 11.935 32.137
276 HD1 TYR 33 HD1 TYR 33 24.133 13.088 30.900
277 HD2 TYR 33 HD2 TYR 33 24.208 8.835 30.820
278 HE1 TYR 33 HE1 TYR 33 26.012 13.157 29.314
279 HE2 TYR 33 HE2 TYR 33 26.088 8.892 29.234
280 HH TYR 33 HH TYR 33 27.588 10.184 28.203
281 H PHE 34 H PHE 34 20.794 9.545 33.319
282 HA PHE 34 HA PHE 34 20.183 11.103 35.740
283 HB2 PHE 34 HB2 PHE 34 18.173 10.059 33.746
284 HB3 PHE 34 HB3 PHE 34 17.930 11.286 34.985
285 HD1 PHE 34 HD1 PHE 34 18.486 13.557 34.597
286 HD2 PHE 34 HD2 PHE 34 19.520 10.576 31.740
287 HE1 PHE 34 HE1 PHE 34 19.027 15.315 32.963
288 HE2 PHE 34 HE2 PHE 34 20.063 12.329 30.102
289 HZ PHE 34 HZ PHE 34 19.818 14.703 30.713
290 H HIS 35 H HIS 35 21.407 8.761 36.253
291 HA HIS 35 HA HIS 35 19.967 6.427 36.430
292 HB2 HIS 35 HB2 HIS 35 22.409 7.217 37.304
293 HB3 HIS 35 HB3 HIS 35 21.553 7.084 38.837
294 HD1 HIS 35 HD1 HIS 35 23.806 5.159 38.370
295 HD2 HIS 35 HD2 HIS 35 19.899 4.357 37.209
296 HE1 HIS 35 HE1 HIS 35 23.655 2.654 38.204
Start of MODEL 4
1 H1 MET 1 H MET 1 9.802 -2.274 0.980
2 HA MET 1 HA MET 1 10.235 -5.038 1.751
3 HB2 MET 1 HB2 MET 1 9.776 -3.422 3.506
4 HB3 MET 1 HB3 MET 1 8.264 -2.967 2.733
5 HG2 MET 1 HG2 MET 1 7.239 -4.479 3.971
6 HG3 MET 1 HG3 MET 1 8.116 -5.732 3.095
7 HE1 MET 1 HE1 MET 1 7.523 -4.136 6.590
8 HE2 MET 1 HE2 MET 1 6.890 -5.691 6.051
9 HE3 MET 1 HE3 MET 1 8.076 -5.625 7.356
10 H ASN 2 H ASN 2 7.204 -3.294 1.084
11 HA ASN 2 HA ASN 2 6.408 -5.487 -0.704
12 HB2 ASN 2 HB2 ASN 2 5.389 -5.831 1.534
13 HB3 ASN 2 HB3 ASN 2 4.626 -4.249 1.406
14 HD21 ASN 2 HD21 ASN 2 2.690 -5.589 1.755
15 HD22 ASN 2 HD22 ASN 2 1.922 -6.286 0.372
16 H ILE 3 H ILE 3 7.380 -3.298 -1.821
17 HA ILE 3 HA ILE 3 5.819 -1.064 -2.212
18 HB ILE 3 HB ILE 3 7.470 -2.470 -4.315
19 HG12 ILE 3 HG12 ILE 3 8.229 -0.279 -2.372
20 HG13 ILE 3 HG13 ILE 3 8.729 -1.962 -2.252
21 HG21 ILE 3 HG21 ILE 3 7.620 -0.281 -5.379
22 HG22 ILE 3 HG22 ILE 3 5.943 -0.811 -5.254
23 HG23 ILE 3 HG23 ILE 3 6.570 0.402 -4.138
24 HD11 ILE 3 HD11 ILE 3 9.688 -1.548 -4.637
25 HD12 ILE 3 HD12 ILE 3 9.615 0.147 -4.154
26 HD13 ILE 3 HD13 ILE 3 10.569 -0.999 -3.212
27 H THR 4 H THR 4 5.816 -3.988 -4.259
28 HA THR 4 HA THR 4 3.061 -3.301 -5.057
29 HB THR 4 HB THR 4 3.826 -4.933 -7.063
30 HG1 THR 4 HG1 THR 4 6.156 -3.400 -6.487
31 HG21 THR 4 HG21 THR 4 4.248 -1.950 -6.869
32 HG22 THR 4 HG22 THR 4 2.793 -2.787 -7.411
33 HG23 THR 4 HG23 THR 4 4.265 -2.861 -8.379
34 H SER 5 H SER 5 5.268 -5.772 -3.980
35 HA SER 5 HA SER 5 3.166 -7.398 -2.983
36 HB2 SER 5 HB2 SER 5 3.692 -7.831 -5.677
37 HB3 SER 5 HB3 SER 5 4.600 -9.104 -4.863
38 HG SER 5 HG SER 5 2.064 -9.127 -5.378
39 H GLN 6 H GLN 6 4.364 -9.822 -2.730
40 HA GLN 6 HA GLN 6 5.800 -10.913 -1.336
41 HB2 GLN 6 HB2 GLN 6 7.858 -9.103 -2.607
42 HB3 GLN 6 HB3 GLN 6 8.157 -10.656 -1.839
43 HG2 GLN 6 HG2 GLN 6 7.544 -11.818 -3.651
44 HG3 GLN 6 HG3 GLN 6 6.208 -10.731 -4.024
45 HE21 GLN 6 HE21 GLN 6 6.630 -10.545 -6.180
46 HE22 GLN 6 HE22 GLN 6 8.030 -9.755 -6.812
47 H MET 7 H MET 7 8.040 -10.251 0.054
48 HA MET 7 HA MET 7 7.666 -7.765 1.467
49 HB2 MET 7 HB2 MET 7 6.754 -10.365 2.581
50 HB3 MET 7 HB3 MET 7 7.596 -9.275 3.675
51 HG2 MET 7 HG2 MET 7 5.888 -7.528 2.669
52 HG3 MET 7 HG3 MET 7 4.951 -8.990 2.369
53 HE1 MET 7 HE1 MET 7 4.126 -6.627 3.786
54 HE2 MET 7 HE2 MET 7 3.397 -7.110 5.318
55 HE3 MET 7 HE3 MET 7 4.946 -6.265 5.305
56 H ASN 8 H ASN 8 9.204 -7.793 3.489
57 HA ASN 8 HA ASN 8 11.623 -9.344 2.908
58 HB2 ASN 8 HB2 ASN 8 11.541 -6.871 1.964
59 HB3 ASN 8 HB3 ASN 8 11.948 -6.463 3.628
60 HD21 ASN 8 HD21 ASN 8 13.458 -6.283 1.068
61 HD22 ASN 8 HD22 ASN 8 14.948 -7.102 1.374
62 H LYS 9 H LYS 9 11.870 -10.501 4.708
63 HA LYS 9 HA LYS 9 11.024 -9.571 7.282
64 HB2 LYS 9 HB2 LYS 9 10.976 -11.964 6.599
65 HB3 LYS 9 HB3 LYS 9 12.734 -11.968 6.596
66 HG2 LYS 9 HG2 LYS 9 12.190 -12.896 8.648
67 HG3 LYS 9 HG3 LYS 9 12.539 -11.211 9.041
68 HD2 LYS 9 HD2 LYS 9 10.574 -11.510 10.188
69 HD3 LYS 9 HD3 LYS 9 9.956 -10.921 8.643
70 HE2 LYS 9 HE2 LYS 9 10.324 -13.855 9.071
71 HE3 LYS 9 HE3 LYS 9 8.918 -13.044 9.760
72 HZ1 LYS 9 HZ1 LYS 9 9.389 -13.828 7.077
73 HZ2 LYS 9 HZ2 LYS 9 9.089 -12.166 7.154
74 HZ3 LYS 9 HZ3 LYS 9 7.964 -13.259 7.787
75 H THR 10 H THR 10 14.033 -9.671 5.519
76 HA THR 10 HA THR 10 15.867 -9.369 7.588
77 HB THR 10 HB THR 10 16.365 -7.798 5.118
78 HG1 THR 10 HG1 THR 10 15.808 -9.390 3.852
79 HG21 THR 10 HG21 THR 10 18.150 -8.140 6.722
80 HG22 THR 10 HG22 THR 10 18.516 -9.020 5.238
81 HG23 THR 10 HG23 THR 10 17.916 -9.886 6.652
82 H ILE 11 H ILE 11 14.148 -6.860 5.743
83 HA ILE 11 HA ILE 11 15.267 -4.619 6.938
84 HB ILE 11 HB ILE 11 12.409 -4.915 6.006
85 HG12 ILE 11 HG12 ILE 11 14.078 -5.564 4.293
86 HG13 ILE 11 HG13 ILE 11 13.199 -4.104 3.852
87 HG21 ILE 11 HG21 ILE 11 12.504 -2.492 5.665
88 HG22 ILE 11 HG22 ILE 11 12.760 -2.921 7.356
89 HG23 ILE 11 HG23 ILE 11 14.131 -2.463 6.345
90 HD11 ILE 11 HD11 ILE 11 15.065 -2.912 3.745
91 HD12 ILE 11 HD12 ILE 11 15.631 -3.512 5.304
92 HD13 ILE 11 HD13 ILE 11 15.932 -4.445 3.839
93 H ILE 12 H ILE 12 12.503 -6.574 7.975
94 HA ILE 12 HA ILE 12 11.691 -4.970 10.128
95 HB ILE 12 HB ILE 12 11.479 -7.977 9.956
96 HG12 ILE 12 HG12 ILE 12 9.612 -5.838 8.909
97 HG13 ILE 12 HG13 ILE 12 10.590 -6.925 7.929
98 HG21 ILE 12 HG21 ILE 12 10.997 -6.972 12.164
99 HG22 ILE 12 HG22 ILE 12 9.751 -5.980 11.409
100 HG23 ILE 12 HG23 ILE 12 9.587 -7.736 11.432
101 HD11 ILE 12 HD11 ILE 12 8.048 -7.398 9.320
102 HD12 ILE 12 HD12 ILE 12 8.686 -8.104 7.834
103 HD13 ILE 12 HD13 ILE 12 9.222 -8.712 9.400
104 H GLY 13 H GLY 13 13.920 -7.742 10.024
105 HA2 GLY 13 HA2 GLY 13 14.502 -7.991 12.709
106 HA3 GLY 13 HA3 GLY 13 15.651 -8.321 11.420
107 H VAL 14 H VAL 14 16.558 -6.180 10.424
108 HA VAL 14 HA VAL 14 18.211 -4.980 12.272
109 HB VAL 14 HB VAL 14 17.240 -3.750 9.689
110 HG11 VAL 14 HG11 VAL 14 19.282 -2.973 11.673
111 HG12 VAL 14 HG12 VAL 14 19.761 -2.868 9.978
112 HG13 VAL 14 HG13 VAL 14 18.349 -1.980 10.554
113 HG21 VAL 14 HG21 VAL 14 19.152 -5.910 10.307
114 HG22 VAL 14 HG22 VAL 14 18.199 -5.619 8.852
115 HG23 VAL 14 HG23 VAL 14 19.687 -4.714 9.127
116 H SER 15 H SER 15 15.076 -3.847 11.079
117 HA SER 15 HA SER 15 14.984 -1.333 12.205
118 HB2 SER 15 HB2 SER 15 13.248 -2.479 10.715
119 HB3 SER 15 HB3 SER 15 12.601 -3.186 12.195
120 HG SER 15 HG SER 15 12.259 -1.079 12.976
121 H VAL 16 H VAL 16 13.932 -4.388 13.703
122 HA VAL 16 HA VAL 16 13.207 -3.305 16.188
123 HB VAL 16 HB VAL 16 14.302 -6.085 15.783
124 HG11 VAL 16 HG11 VAL 16 13.466 -4.819 18.059
125 HG12 VAL 16 HG12 VAL 16 12.004 -5.656 17.537
126 HG13 VAL 16 HG13 VAL 16 13.490 -6.565 17.814
127 HG21 VAL 16 HG21 VAL 16 11.621 -6.392 15.590
128 HG22 VAL 16 HG22 VAL 16 11.834 -4.847 14.766
129 HG23 VAL 16 HG23 VAL 16 12.705 -6.273 14.204
130 H LEU 17 H LEU 17 16.283 -4.601 15.015
131 HA LEU 17 HA LEU 17 17.705 -4.609 17.405
132 HB2 LEU 17 HB2 LEU 17 18.625 -4.085 14.587
133 HB3 LEU 17 HB3 LEU 17 19.724 -4.296 15.948
134 HG LEU 17 HG LEU 17 17.740 -6.408 15.140
135 HD11 LEU 17 HD11 LEU 17 19.043 -7.165 13.490
136 HD12 LEU 17 HD12 LEU 17 20.528 -6.832 14.380
137 HD13 LEU 17 HD13 LEU 17 19.730 -5.541 13.482
138 HD21 LEU 17 HD21 LEU 17 20.296 -6.471 16.741
139 HD22 LEU 17 HD22 LEU 17 19.302 -7.872 16.340
140 HD23 LEU 17 HD23 LEU 17 18.657 -6.601 17.381
141 H SER 18 H SER 18 17.765 -2.057 14.909
142 HA SER 18 HA SER 18 19.249 -0.183 16.281
143 HB2 SER 18 HB2 SER 18 18.608 0.064 13.920
144 HB3 SER 18 HB3 SER 18 16.935 0.348 14.400
145 HG SER 18 HG SER 18 19.198 1.979 14.862
146 H VAL 19 H VAL 19 15.761 -0.759 16.426
147 HA VAL 19 HA VAL 19 14.978 1.400 17.972
148 HB VAL 19 HB VAL 19 13.912 -1.425 18.020
149 HG11 VAL 19 HG11 VAL 19 13.117 1.009 19.490
150 HG12 VAL 19 HG12 VAL 19 11.812 0.077 18.755
151 HG13 VAL 19 HG13 VAL 19 12.905 -0.691 19.907
152 HG21 VAL 19 HG21 VAL 19 12.884 -0.940 16.109
153 HG22 VAL 19 HG22 VAL 19 12.228 0.552 16.782
154 HG23 VAL 19 HG23 VAL 19 13.826 0.549 16.036
155 H LEU 20 H LEU 20 15.841 -1.854 19.158
156 HA LEU 20 HA LEU 20 15.783 -1.164 21.888
157 HB2 LEU 20 HB2 LEU 20 17.284 -3.371 20.486
158 HB3 LEU 20 HB3 LEU 20 17.048 -3.255 22.228
159 HG LEU 20 HG LEU 20 15.007 -3.847 20.103
160 HD11 LEU 20 HD11 LEU 20 15.966 -5.837 20.779
161 HD12 LEU 20 HD12 LEU 20 14.577 -5.706 21.857
162 HD13 LEU 20 HD13 LEU 20 16.187 -5.288 22.441
163 HD21 LEU 20 HD21 LEU 20 14.537 -3.052 22.973
164 HD22 LEU 20 HD22 LEU 20 13.328 -3.802 21.930
165 HD23 LEU 20 HD23 LEU 20 13.975 -2.211 21.528
166 H VAL 21 H VAL 21 18.359 -1.134 19.486
167 HA VAL 21 HA VAL 21 20.592 -0.812 21.060
168 HB VAL 21 HB VAL 21 19.953 0.515 18.425
169 HG11 VAL 21 HG11 VAL 21 22.605 0.480 18.406
170 HG12 VAL 21 HG12 VAL 21 21.693 1.842 19.059
171 HG13 VAL 21 HG13 VAL 21 22.367 0.629 20.147
172 HG21 VAL 21 HG21 VAL 21 20.439 -1.441 17.490
173 HG22 VAL 21 HG22 VAL 21 21.971 -1.528 18.359
174 HG23 VAL 21 HG23 VAL 21 20.499 -2.151 19.103
175 H VAL 22 H VAL 22 18.512 1.796 19.799
176 HA VAL 22 HA VAL 22 19.846 3.857 21.227
177 HB VAL 22 HB VAL 22 17.056 3.855 20.065
178 HG11 VAL 22 HG11 VAL 22 17.196 5.653 21.594
179 HG12 VAL 22 HG12 VAL 22 18.830 6.067 21.071
180 HG13 VAL 22 HG13 VAL 22 17.461 6.349 19.995
181 HG21 VAL 22 HG21 VAL 22 18.999 5.368 18.589
182 HG22 VAL 22 HG22 VAL 22 19.541 3.699 18.771
183 HG23 VAL 22 HG23 VAL 22 17.970 4.042 18.047
184 H SER 23 H SER 23 16.641 2.365 21.717
185 HA SER 23 HA SER 23 15.939 3.646 24.058
186 HB2 SER 23 HB2 SER 23 14.461 2.130 22.733
187 HB3 SER 23 HB3 SER 23 15.339 0.753 23.398
188 HG SER 23 HG SER 23 14.120 2.693 25.053
189 H VAL 24 H VAL 24 17.355 0.373 23.888
190 HA VAL 24 HA VAL 24 17.822 -0.030 26.564
191 HB VAL 24 HB VAL 24 19.545 -0.919 24.248
192 HG11 VAL 24 HG11 VAL 24 19.746 -2.786 26.292
193 HG12 VAL 24 HG12 VAL 24 20.987 -1.637 25.786
194 HG13 VAL 24 HG13 VAL 24 19.888 -1.228 27.105
195 HG21 VAL 24 HG21 VAL 24 17.728 -2.767 25.672
196 HG22 VAL 24 HG22 VAL 24 16.973 -1.552 24.640
197 HG23 VAL 24 HG23 VAL 24 18.146 -2.680 23.960
198 H VAL 25 H VAL 25 20.300 1.117 24.262
199 HA VAL 25 HA VAL 25 22.291 1.743 26.043
200 HB VAL 25 HB VAL 25 21.529 3.066 23.450
201 HG11 VAL 25 HG11 VAL 25 23.848 3.690 25.264
202 HG12 VAL 25 HG12 VAL 25 23.832 4.092 23.546
203 HG13 VAL 25 HG13 VAL 25 22.633 4.800 24.629
204 HG21 VAL 25 HG21 VAL 25 23.028 1.669 22.459
205 HG22 VAL 25 HG22 VAL 25 24.065 1.589 23.883
206 HG23 VAL 25 HG23 VAL 25 22.574 0.650 23.826
207 H ALA 26 H ALA 26 19.580 3.796 25.036
208 HA ALA 26 HA ALA 26 20.268 6.146 26.327
209 HB1 ALA 26 HB1 ALA 26 17.782 4.939 25.338
210 HB2 ALA 26 HB2 ALA 26 17.569 6.148 26.605
211 HB3 ALA 26 HB3 ALA 26 18.422 6.568 25.119
212 H VAL 27 H VAL 27 18.525 3.336 27.613
213 HA VAL 27 HA VAL 27 18.078 4.459 30.187
214 HB VAL 27 HB VAL 27 18.123 1.555 29.350
215 HG11 VAL 27 HG11 VAL 27 16.439 1.636 31.436
216 HG12 VAL 27 HG12 VAL 27 18.161 1.287 31.596
217 HG13 VAL 27 HG13 VAL 27 17.557 2.914 31.911
218 HG21 VAL 27 HG21 VAL 27 15.506 2.435 29.835
219 HG22 VAL 27 HG22 VAL 27 16.260 3.684 28.843
220 HG23 VAL 27 HG23 VAL 27 16.227 2.012 28.282
221 H LEU 28 H LEU 28 20.542 2.282 28.867
222 HA LEU 28 HA LEU 28 21.886 1.579 31.165
223 HB2 LEU 28 HB2 LEU 28 22.722 2.008 28.340
224 HB3 LEU 28 HB3 LEU 28 23.967 1.748 29.560
225 HG LEU 28 HG LEU 28 21.707 -0.193 29.323
226 HD11 LEU 28 HD11 LEU 28 23.367 -1.467 27.792
227 HD12 LEU 28 HD12 LEU 28 23.997 0.140 27.432
228 HD13 LEU 28 HD13 LEU 28 22.309 -0.241 27.094
229 HD21 LEU 28 HD21 LEU 28 23.165 -0.474 31.198
230 HD22 LEU 28 HD22 LEU 28 24.595 -0.348 30.173
231 HD23 LEU 28 HD23 LEU 28 23.527 -1.745 30.030
232 H VAL 29 H VAL 29 22.611 4.385 29.085
233 HA VAL 29 HA VAL 29 24.562 5.490 30.797
234 HB VAL 29 HB VAL 29 22.854 7.055 28.868
235 HG11 VAL 29 HG11 VAL 29 24.844 8.458 28.664
236 HG12 VAL 29 HG12 VAL 29 24.290 8.376 30.338
237 HG13 VAL 29 HG13 VAL 29 25.690 7.434 29.824
238 HG21 VAL 29 HG21 VAL 29 24.896 6.529 27.325
239 HG22 VAL 29 HG22 VAL 29 25.069 5.117 28.367
240 HG23 VAL 29 HG23 VAL 29 23.574 5.371 27.468
241 H TYR 30 H TYR 30 21.079 5.975 30.528
242 HA TYR 30 HA TYR 30 20.729 8.207 32.106
243 HB2 TYR 30 HB2 TYR 30 19.071 6.299 30.955
244 HB3 TYR 30 HB3 TYR 30 18.725 6.171 32.676
245 HD1 TYR 30 HD1 TYR 30 17.222 7.649 33.655
246 HD2 TYR 30 HD2 TYR 30 19.028 8.695 29.948
247 HE1 TYR 30 HE1 TYR 30 15.771 9.630 33.514
248 HE2 TYR 30 HE2 TYR 30 17.583 10.680 29.797
249 HH TYR 30 HH TYR 30 16.306 12.175 31.699
250 H LYS 31 H LYS 31 21.076 4.833 33.125
251 HA LYS 31 HA LYS 31 20.928 5.569 35.929
252 HB2 LYS 31 HB2 LYS 31 21.656 2.855 34.845
253 HB3 LYS 31 HB3 LYS 31 20.939 3.251 36.401
254 HG2 LYS 31 HG2 LYS 31 18.845 3.764 35.397
255 HG3 LYS 31 HG3 LYS 31 19.535 3.675 33.775
256 HD2 LYS 31 HD2 LYS 31 18.625 1.597 33.854
257 HD3 LYS 31 HD3 LYS 31 20.163 1.223 34.635
258 HE2 LYS 31 HE2 LYS 31 19.173 0.760 36.583
259 HE3 LYS 31 HE3 LYS 31 18.166 2.205 36.506
260 HZ1 LYS 31 HZ1 LYS 31 17.628 -0.444 35.295
261 HZ2 LYS 31 HZ2 LYS 31 16.756 0.945 34.880
262 HZ3 LYS 31 HZ3 LYS 31 16.717 0.365 36.469
263 H PHE 32 H PHE 32 23.323 4.013 33.793
264 HA PHE 32 HA PHE 32 25.433 3.830 35.551
265 HB2 PHE 32 HB2 PHE 32 25.273 4.199 32.584
266 HB3 PHE 32 HB3 PHE 32 26.844 4.255 33.376
267 HD1 PHE 32 HD1 PHE 32 28.004 2.301 33.122
268 HD2 PHE 32 HD2 PHE 32 23.796 2.128 33.743
269 HE1 PHE 32 HE1 PHE 32 28.104 -0.157 33.096
270 HE2 PHE 32 HE2 PHE 32 23.890 -0.330 33.720
271 HZ PHE 32 HZ PHE 32 26.046 -1.476 33.396
272 H TYR 33 H TYR 33 24.071 6.652 34.116
273 HA TYR 33 HA TYR 33 26.329 8.277 35.076
274 HB2 TYR 33 HB2 TYR 33 25.556 8.382 32.618
275 HB3 TYR 33 HB3 TYR 33 24.163 9.264 33.233
276 HD1 TYR 33 HD1 TYR 33 24.889 11.228 34.955
277 HD2 TYR 33 HD2 TYR 33 27.290 9.660 31.812
278 HE1 TYR 33 HE1 TYR 33 26.187 13.317 34.913
279 HE2 TYR 33 HE2 TYR 33 28.596 11.743 31.763
280 HH TYR 33 HH TYR 33 29.114 13.634 33.528
281 H PHE 34 H PHE 34 22.774 8.319 34.843
282 HA PHE 34 HA PHE 34 22.725 9.982 37.274
283 HB2 PHE 34 HB2 PHE 34 20.538 9.747 35.202
284 HB3 PHE 34 HB3 PHE 34 20.623 10.894 36.536
285 HD1 PHE 34 HD1 PHE 34 22.055 9.974 33.274
286 HD2 PHE 34 HD2 PHE 34 21.888 12.896 36.364
287 HE1 PHE 34 HE1 PHE 34 23.190 11.588 31.804
288 HE2 PHE 34 HE2 PHE 34 23.022 14.515 34.899
289 HZ PHE 34 HZ PHE 34 23.673 13.862 32.615
290 H HIS 35 H HIS 35 23.072 7.387 37.780
291 HA HIS 35 HA HIS 35 20.958 5.641 37.878
292 HB2 HIS 35 HB2 HIS 35 23.091 4.877 38.599
293 HB3 HIS 35 HB3 HIS 35 23.188 6.109 39.854
294 HD1 HIS 35 HD1 HIS 35 20.482 3.526 39.137
295 HD2 HIS 35 HD2 HIS 35 23.020 4.759 42.187
296 HE1 HIS 35 HE1 HIS 35 19.873 2.117 41.129
Start of MODEL 5
1 H1 MET 1 H MET 1 3.885 -6.711 -14.766
2 HA MET 1 HA MET 1 1.934 -8.807 -14.420
3 HB2 MET 1 HB2 MET 1 4.870 -9.413 -14.685
4 HB3 MET 1 HB3 MET 1 3.790 -10.463 -13.778
5 HG2 MET 1 HG2 MET 1 2.417 -10.760 -15.793
6 HG3 MET 1 HG3 MET 1 3.551 -9.754 -16.692
7 HE1 MET 1 HE1 MET 1 2.901 -12.731 -14.621
8 HE2 MET 1 HE2 MET 1 3.861 -14.028 -15.332
9 HE3 MET 1 HE3 MET 1 4.566 -12.982 -14.098
10 H ASN 2 H ASN 2 2.051 -9.758 -12.216
11 HA ASN 2 HA ASN 2 2.124 -7.812 -10.248
12 HB2 ASN 2 HB2 ASN 2 1.853 -9.577 -8.651
13 HB3 ASN 2 HB3 ASN 2 0.988 -10.056 -10.109
14 HD21 ASN 2 HD21 ASN 2 2.511 -11.416 -7.777
15 HD22 ASN 2 HD22 ASN 2 3.428 -12.638 -8.585
16 H ILE 3 H ILE 3 3.701 -6.837 -9.163
17 HA ILE 3 HA ILE 3 6.436 -7.819 -9.478
18 HB ILE 3 HB ILE 3 5.615 -5.220 -8.197
19 HG12 ILE 3 HG12 ILE 3 6.179 -5.765 -11.120
20 HG13 ILE 3 HG13 ILE 3 4.621 -5.316 -10.435
21 HG21 ILE 3 HG21 ILE 3 7.797 -4.747 -8.104
22 HG22 ILE 3 HG22 ILE 3 8.048 -6.472 -8.365
23 HG23 ILE 3 HG23 ILE 3 8.090 -5.359 -9.731
24 HD11 ILE 3 HD11 ILE 3 7.076 -3.645 -10.775
25 HD12 ILE 3 HD12 ILE 3 5.431 -3.339 -11.333
26 HD13 ILE 3 HD13 ILE 3 5.820 -3.203 -9.619
27 H THR 4 H THR 4 4.588 -9.161 -7.684
28 HA THR 4 HA THR 4 4.331 -9.805 -5.486
29 HB THR 4 HB THR 4 6.330 -11.029 -6.193
30 HG1 THR 4 HG1 THR 4 6.867 -11.600 -4.157
31 HG21 THR 4 HG21 THR 4 8.571 -10.170 -5.556
32 HG22 THR 4 HG22 THR 4 7.825 -8.630 -5.131
33 HG23 THR 4 HG23 THR 4 7.785 -9.198 -6.800
34 H SER 5 H SER 5 4.003 -7.045 -5.659
35 HA SER 5 HA SER 5 5.598 -5.484 -4.002
36 HB2 SER 5 HB2 SER 5 2.634 -5.318 -4.578
37 HB3 SER 5 HB3 SER 5 3.528 -4.076 -3.702
38 HG SER 5 HG SER 5 3.713 -3.364 -5.711
39 H GLN 6 H GLN 6 6.198 -6.084 -2.016
40 HA GLN 6 HA GLN 6 4.088 -6.654 -0.064
41 HB2 GLN 6 HB2 GLN 6 5.442 -8.436 0.946
42 HB3 GLN 6 HB3 GLN 6 5.002 -8.820 -0.713
43 HG2 GLN 6 HG2 GLN 6 7.154 -8.550 -1.491
44 HG3 GLN 6 HG3 GLN 6 7.625 -7.523 -0.137
45 HE21 GLN 6 HE21 GLN 6 8.623 -10.135 -1.361
46 HE22 GLN 6 HE22 GLN 6 8.840 -11.167 0.007
47 H MET 7 H MET 7 5.469 -6.931 2.203
48 HA MET 7 HA MET 7 6.737 -4.314 2.495
49 HB2 MET 7 HB2 MET 7 5.354 -6.204 4.343
50 HB3 MET 7 HB3 MET 7 6.550 -5.106 5.018
51 HG2 MET 7 HG2 MET 7 4.651 -3.871 5.271
52 HG3 MET 7 HG3 MET 7 5.202 -3.301 3.697
53 HE1 MET 7 HE1 MET 7 1.496 -5.138 5.048
54 HE2 MET 7 HE2 MET 7 2.452 -6.570 4.668
55 HE3 MET 7 HE3 MET 7 3.086 -5.355 5.779
56 H ASN 8 H ASN 8 8.668 -4.085 3.802
57 HA ASN 8 HA ASN 8 10.521 -6.302 3.338
58 HB2 ASN 8 HB2 ASN 8 10.860 -3.743 2.702
59 HB3 ASN 8 HB3 ASN 8 11.446 -3.656 4.360
60 HD21 ASN 8 HD21 ASN 8 12.904 -5.700 4.850
61 HD22 ASN 8 HD22 ASN 8 14.174 -5.934 3.703
62 H LYS 9 H LYS 9 10.759 -7.680 4.964
63 HA LYS 9 HA LYS 9 10.169 -6.963 7.682
64 HB2 LYS 9 HB2 LYS 9 9.700 -9.216 6.733
65 HB3 LYS 9 HB3 LYS 9 11.433 -9.492 6.609
66 HG2 LYS 9 HG2 LYS 9 10.771 -10.583 8.570
67 HG3 LYS 9 HG3 LYS 9 11.527 -9.082 9.112
68 HD2 LYS 9 HD2 LYS 9 9.470 -8.105 9.649
69 HD3 LYS 9 HD3 LYS 9 8.563 -9.268 8.679
70 HE2 LYS 9 HE2 LYS 9 9.626 -10.985 10.375
71 HE3 LYS 9 HE3 LYS 9 9.735 -9.557 11.402
72 HZ1 LYS 9 HZ1 LYS 9 7.350 -9.217 11.087
73 HZ2 LYS 9 HZ2 LYS 9 7.673 -10.721 11.790
74 HZ3 LYS 9 HZ3 LYS 9 7.261 -10.624 10.153
75 H THR 10 H THR 10 13.045 -7.377 5.733
76 HA THR 10 HA THR 10 14.993 -7.598 7.697
77 HB THR 10 HB THR 10 15.624 -5.851 5.378
78 HG1 THR 10 HG1 THR 10 14.577 -8.464 5.184
79 HG21 THR 10 HG21 THR 10 17.558 -7.392 5.237
80 HG22 THR 10 HG22 THR 10 16.896 -8.306 6.593
81 HG23 THR 10 HG23 THR 10 17.405 -6.633 6.821
82 H ILE 11 H ILE 11 13.668 -4.638 6.228
83 HA ILE 11 HA ILE 11 15.194 -2.785 7.637
84 HB ILE 11 HB ILE 11 12.329 -2.444 6.743
85 HG12 ILE 11 HG12 ILE 11 13.836 -3.200 4.927
86 HG13 ILE 11 HG13 ILE 11 13.247 -1.562 4.669
87 HG21 ILE 11 HG21 ILE 11 12.632 -0.557 7.965
88 HG22 ILE 11 HG22 ILE 11 14.388 -0.606 7.811
89 HG23 ILE 11 HG23 ILE 11 13.401 -0.017 6.473
90 HD11 ILE 11 HD11 ILE 11 15.754 -1.601 6.114
91 HD12 ILE 11 HD12 ILE 11 15.865 -2.404 4.548
92 HD13 ILE 11 HD13 ILE 11 15.304 -0.736 4.645
93 H ILE 12 H ILE 12 12.084 -4.265 8.482
94 HA ILE 12 HA ILE 12 11.591 -2.817 10.825
95 HB ILE 12 HB ILE 12 10.812 -5.673 10.223
96 HG12 ILE 12 HG12 ILE 12 10.035 -4.143 8.489
97 HG13 ILE 12 HG13 ILE 12 8.676 -4.681 9.471
98 HG21 ILE 12 HG21 ILE 12 9.709 -3.693 12.211
99 HG22 ILE 12 HG22 ILE 12 8.979 -5.251 11.824
100 HG23 ILE 12 HG23 ILE 12 10.574 -5.186 12.575
101 HD11 ILE 12 HD11 ILE 12 8.371 -2.377 9.092
102 HD12 ILE 12 HD12 ILE 12 8.918 -2.533 10.761
103 HD13 ILE 12 HD13 ILE 12 10.044 -2.011 9.509
104 H GLY 13 H GLY 13 13.307 -5.892 10.341
105 HA2 GLY 13 HA2 GLY 13 13.806 -6.590 12.965
106 HA3 GLY 13 HA3 GLY 13 14.895 -6.937 11.630
107 H VAL 14 H VAL 14 16.163 -4.869 10.913
108 HA VAL 14 HA VAL 14 17.977 -4.220 12.881
109 HB VAL 14 HB VAL 14 17.267 -2.452 10.537
110 HG11 VAL 14 HG11 VAL 14 19.451 -2.486 12.521
111 HG12 VAL 14 HG12 VAL 14 19.927 -2.216 10.844
112 HG13 VAL 14 HG13 VAL 14 18.760 -1.141 11.614
113 HG21 VAL 14 HG21 VAL 14 18.750 -5.019 10.728
114 HG22 VAL 14 HG22 VAL 14 17.723 -4.400 9.435
115 HG23 VAL 14 HG23 VAL 14 19.365 -3.785 9.628
116 H SER 15 H SER 15 15.103 -2.406 11.877
117 HA SER 15 HA SER 15 15.429 -0.096 13.343
118 HB2 SER 15 HB2 SER 15 13.498 -0.912 11.733
119 HB3 SER 15 HB3 SER 15 12.713 -1.347 13.251
120 HG SER 15 HG SER 15 13.806 1.219 12.761
121 H VAL 16 H VAL 16 13.936 -3.142 14.408
122 HA VAL 16 HA VAL 16 13.314 -2.298 17.021
123 HB VAL 16 HB VAL 16 13.973 -5.133 16.236
124 HG11 VAL 16 HG11 VAL 16 12.989 -5.769 18.156
125 HG12 VAL 16 HG12 VAL 16 13.342 -4.118 18.669
126 HG13 VAL 16 HG13 VAL 16 11.742 -4.527 18.049
127 HG21 VAL 16 HG21 VAL 16 11.794 -3.396 15.343
128 HG22 VAL 16 HG22 VAL 16 12.382 -4.917 14.670
129 HG23 VAL 16 HG23 VAL 16 11.256 -4.930 16.028
130 H LEU 17 H LEU 17 16.153 -3.954 15.694
131 HA LEU 17 HA LEU 17 17.499 -4.417 18.099
132 HB2 LEU 17 HB2 LEU 17 18.503 -3.957 15.302
133 HB3 LEU 17 HB3 LEU 17 19.569 -4.375 16.642
134 HG LEU 17 HG LEU 17 17.253 -6.151 16.013
135 HD11 LEU 17 HD11 LEU 17 19.213 -7.354 14.628
136 HD12 LEU 17 HD12 LEU 17 19.600 -5.667 14.295
137 HD13 LEU 17 HD13 LEU 17 18.005 -6.301 13.892
138 HD21 LEU 17 HD21 LEU 17 18.750 -6.411 18.026
139 HD22 LEU 17 HD22 LEU 17 20.052 -6.808 16.903
140 HD23 LEU 17 HD23 LEU 17 18.614 -7.827 16.984
141 H SER 18 H SER 18 17.385 -1.578 16.022
142 HA SER 18 HA SER 18 19.425 -0.149 17.420
143 HB2 SER 18 HB2 SER 18 18.415 0.192 14.996
144 HB3 SER 18 HB3 SER 18 17.319 1.278 15.850
145 HG SER 18 HG SER 18 19.708 1.847 15.016
146 H VAL 19 H VAL 19 15.966 -0.480 17.736
147 HA VAL 19 HA VAL 19 15.506 1.770 19.391
148 HB VAL 19 HB VAL 19 13.955 -0.814 19.183
149 HG11 VAL 19 HG11 VAL 19 13.519 1.674 20.743
150 HG12 VAL 19 HG12 VAL 19 12.114 0.913 19.993
151 HG13 VAL 19 HG13 VAL 19 13.107 0.004 21.134
152 HG21 VAL 19 HG21 VAL 19 13.099 -0.033 17.286
153 HG22 VAL 19 HG22 VAL 19 12.690 1.504 18.048
154 HG23 VAL 19 HG23 VAL 19 14.287 1.270 17.340
155 H LEU 20 H LEU 20 15.872 -1.685 20.194
156 HA LEU 20 HA LEU 20 15.796 -1.355 22.982
157 HB2 LEU 20 HB2 LEU 20 16.965 -3.587 23.011
158 HB3 LEU 20 HB3 LEU 20 15.436 -3.519 22.137
159 HG LEU 20 HG LEU 20 17.245 -3.056 20.142
160 HD11 LEU 20 HD11 LEU 20 19.175 -4.245 20.388
161 HD12 LEU 20 HD12 LEU 20 18.482 -5.341 21.583
162 HD13 LEU 20 HD13 LEU 20 18.948 -3.706 22.052
163 HD21 LEU 20 HD21 LEU 20 15.449 -4.532 19.819
164 HD22 LEU 20 HD22 LEU 20 15.954 -5.575 21.149
165 HD23 LEU 20 HD23 LEU 20 16.893 -5.532 19.656
166 H VAL 21 H VAL 21 18.566 -1.653 20.767
167 HA VAL 21 HA VAL 21 20.645 -1.551 22.559
168 HB VAL 21 HB VAL 21 20.413 -0.396 19.790
169 HG11 VAL 21 HG11 VAL 21 22.630 -0.151 21.751
170 HG12 VAL 21 HG12 VAL 21 23.046 -0.471 20.066
171 HG13 VAL 21 HG13 VAL 21 22.108 0.962 20.487
172 HG21 VAL 21 HG21 VAL 21 21.076 -2.407 19.080
173 HG22 VAL 21 HG22 VAL 21 22.343 -2.516 20.303
174 HG23 VAL 21 HG23 VAL 21 20.689 -2.979 20.703
175 H VAL 22 H VAL 22 19.293 1.294 20.876
176 HA VAL 22 HA VAL 22 20.683 3.261 22.216
177 HB VAL 22 HB VAL 22 17.839 3.383 21.205
178 HG11 VAL 22 HG11 VAL 22 18.882 5.913 21.017
179 HG12 VAL 22 HG12 VAL 22 17.771 5.350 22.267
180 HG13 VAL 22 HG13 VAL 22 19.510 5.350 22.565
181 HG21 VAL 22 HG21 VAL 22 20.009 4.699 19.726
182 HG22 VAL 22 HG22 VAL 22 20.090 2.937 19.755
183 HG23 VAL 22 HG23 VAL 22 18.648 3.744 19.136
184 H SER 23 H SER 23 17.456 1.996 23.053
185 HA SER 23 HA SER 23 16.987 3.486 25.328
186 HB2 SER 23 HB2 SER 23 15.457 1.785 24.134
187 HB3 SER 23 HB3 SER 23 16.220 0.577 25.167
188 HG SER 23 HG SER 23 15.603 2.129 26.930
189 H VAL 24 H VAL 24 18.560 0.298 25.127
190 HA VAL 24 HA VAL 24 19.094 -0.114 27.803
191 HB VAL 24 HB VAL 24 20.858 -0.849 25.462
192 HG11 VAL 24 HG11 VAL 24 22.307 -1.442 27.064
193 HG12 VAL 24 HG12 VAL 24 21.094 -1.313 28.339
194 HG13 VAL 24 HG13 VAL 24 21.200 -2.781 27.366
195 HG21 VAL 24 HG21 VAL 24 19.358 -3.013 26.601
196 HG22 VAL 24 HG22 VAL 24 18.269 -1.705 26.137
197 HG23 VAL 24 HG23 VAL 24 19.361 -2.409 24.944
198 H VAL 25 H VAL 25 21.221 1.470 25.420
199 HA VAL 25 HA VAL 25 23.337 2.117 27.061
200 HB VAL 25 HB VAL 25 22.196 3.782 24.812
201 HG11 VAL 25 HG11 VAL 25 23.650 5.154 26.139
202 HG12 VAL 25 HG12 VAL 25 24.880 3.890 26.182
203 HG13 VAL 25 HG13 VAL 25 24.502 4.703 24.663
204 HG21 VAL 25 HG21 VAL 25 24.639 2.182 24.433
205 HG22 VAL 25 HG22 VAL 25 23.148 1.261 24.628
206 HG23 VAL 25 HG23 VAL 25 23.282 2.460 23.341
207 H ALA 26 H ALA 26 20.504 4.168 26.361
208 HA ALA 26 HA ALA 26 21.101 6.322 27.969
209 HB1 ALA 26 HB1 ALA 26 18.298 5.752 28.177
210 HB2 ALA 26 HB2 ALA 26 19.117 7.009 27.250
211 HB3 ALA 26 HB3 ALA 26 18.864 5.415 26.540
212 H VAL 27 H VAL 27 19.567 3.267 28.884
213 HA VAL 27 HA VAL 27 19.056 4.016 31.581
214 HB VAL 27 HB VAL 27 19.302 1.254 30.382
215 HG11 VAL 27 HG11 VAL 27 18.298 2.228 33.041
216 HG12 VAL 27 HG12 VAL 27 17.823 0.668 32.366
217 HG13 VAL 27 HG13 VAL 27 19.521 1.002 32.712
218 HG21 VAL 27 HG21 VAL 27 17.438 1.854 29.298
219 HG22 VAL 27 HG22 VAL 27 16.645 1.724 30.868
220 HG23 VAL 27 HG23 VAL 27 17.212 3.292 30.294
221 H LEU 28 H LEU 28 21.634 2.153 30.009
222 HA LEU 28 HA LEU 28 23.047 1.297 32.211
223 HB2 LEU 28 HB2 LEU 28 23.864 2.107 29.455
224 HB3 LEU 28 HB3 LEU 28 25.096 1.696 30.646
225 HG LEU 28 HG LEU 28 22.875 -0.231 30.141
226 HD11 LEU 28 HD11 LEU 28 25.126 0.403 28.277
227 HD12 LEU 28 HD12 LEU 28 23.433 0.073 27.915
228 HD13 LEU 28 HD13 LEU 28 24.501 -1.241 28.405
229 HD21 LEU 28 HD21 LEU 28 24.218 -1.695 31.191
230 HD22 LEU 28 HD22 LEU 28 25.011 -0.246 31.809
231 HD23 LEU 28 HD23 LEU 28 25.674 -1.084 30.406
232 H VAL 29 H VAL 29 23.519 4.362 30.453
233 HA VAL 29 HA VAL 29 25.457 5.394 32.230
234 HB VAL 29 HB VAL 29 23.589 7.046 30.534
235 HG11 VAL 29 HG11 VAL 29 24.955 8.317 32.083
236 HG12 VAL 29 HG12 VAL 29 26.409 7.502 31.505
237 HG13 VAL 29 HG13 VAL 29 25.512 8.576 30.431
238 HG21 VAL 29 HG21 VAL 29 25.366 6.846 28.778
239 HG22 VAL 29 HG22 VAL 29 26.078 5.546 29.735
240 HG23 VAL 29 HG23 VAL 29 24.452 5.367 29.076
241 H TYR 30 H TYR 30 21.942 5.676 32.096
242 HA TYR 30 HA TYR 30 21.511 7.681 33.942
243 HB2 TYR 30 HB2 TYR 30 19.931 5.835 32.591
244 HB3 TYR 30 HB3 TYR 30 19.631 5.485 34.289
245 HD1 TYR 30 HD1 TYR 30 20.124 8.617 32.298
246 HD2 TYR 30 HD2 TYR 30 17.692 6.464 35.046
247 HE1 TYR 30 HE1 TYR 30 18.574 10.523 32.410
248 HE2 TYR 30 HE2 TYR 30 16.134 8.364 35.165
249 HH TYR 30 HH TYR 30 16.460 11.143 33.055
250 H LYS 31 H LYS 31 22.091 4.239 34.520
251 HA LYS 31 HA LYS 31 21.948 4.598 37.396
252 HB2 LYS 31 HB2 LYS 31 22.844 2.106 35.962
253 HB3 LYS 31 HB3 LYS 31 22.135 2.245 37.565
254 HG2 LYS 31 HG2 LYS 31 19.989 2.733 36.659
255 HG3 LYS 31 HG3 LYS 31 20.651 2.895 35.031
256 HD2 LYS 31 HD2 LYS 31 20.507 0.699 34.668
257 HD3 LYS 31 HD3 LYS 31 21.311 0.329 36.196
258 HE2 LYS 31 HE2 LYS 31 19.030 -0.609 36.054
259 HE3 LYS 31 HE3 LYS 31 19.225 0.523 37.391
260 HZ1 LYS 31 HZ1 LYS 31 17.318 0.604 35.393
261 HZ2 LYS 31 HZ2 LYS 31 18.370 1.887 35.063
262 HZ3 LYS 31 HZ3 LYS 31 17.613 1.780 36.573
263 H PHE 32 H PHE 32 24.406 3.507 35.055
264 HA PHE 32 HA PHE 32 26.556 3.263 36.762
265 HB2 PHE 32 HB2 PHE 32 26.318 3.969 33.861
266 HB3 PHE 32 HB3 PHE 32 27.895 4.039 34.640
267 HD1 PHE 32 HD1 PHE 32 25.007 1.676 34.794
268 HD2 PHE 32 HD2 PHE 32 29.177 2.215 34.127
269 HE1 PHE 32 HE1 PHE 32 25.266 -0.750 34.475
270 HE2 PHE 32 HE2 PHE 32 29.442 -0.210 33.807
271 HZ PHE 32 HZ PHE 32 27.485 -1.696 33.980
272 H TYR 33 H TYR 33 24.971 6.128 35.686
273 HA TYR 33 HA TYR 33 27.127 7.789 36.806
274 HB2 TYR 33 HB2 TYR 33 26.290 8.124 34.387
275 HB3 TYR 33 HB3 TYR 33 24.858 8.832 35.127
276 HD1 TYR 33 HD1 TYR 33 25.466 10.644 37.028
277 HD2 TYR 33 HD2 TYR 33 27.949 9.582 33.740
278 HE1 TYR 33 HE1 TYR 33 26.624 12.805 37.213
279 HE2 TYR 33 HE2 TYR 33 29.115 11.741 33.917
280 HH TYR 33 HH TYR 33 28.243 14.217 35.016
281 H PHE 34 H PHE 34 23.570 7.670 36.593
282 HA PHE 34 HA PHE 34 23.455 9.018 39.207
283 HB2 PHE 34 HB2 PHE 34 21.253 8.824 37.144
284 HB3 PHE 34 HB3 PHE 34 21.253 9.807 38.604
285 HD1 PHE 34 HD1 PHE 34 22.757 9.405 35.265
286 HD2 PHE 34 HD2 PHE 34 22.288 11.935 38.656
287 HE1 PHE 34 HE1 PHE 34 23.719 11.280 33.995
288 HE2 PHE 34 HE2 PHE 34 23.249 13.814 37.391
289 HZ PHE 34 HZ PHE 34 23.965 13.488 35.057
290 H HIS 35 H HIS 35 24.019 6.392 39.368
291 HA HIS 35 HA HIS 35 22.016 4.512 39.347
292 HB2 HIS 35 HB2 HIS 35 24.596 4.522 40.181
293 HB3 HIS 35 HB3 HIS 35 23.764 4.421 41.729
294 HD1 HIS 35 HD1 HIS 35 24.574 2.460 38.690
295 HD2 HIS 35 HD2 HIS 35 22.268 2.039 42.121
296 HE1 HIS 35 HE1 HIS 35 23.978 0.019 38.805
Start of MODEL 6
1 H1 MET 1 H MET 1 11.918 -0.097 4.556
2 HA MET 1 HA MET 1 9.845 1.986 4.635
3 HB2 MET 1 HB2 MET 1 12.334 1.643 2.986
4 HB3 MET 1 HB3 MET 1 11.044 2.717 2.462
5 HG2 MET 1 HG2 MET 1 12.068 3.016 5.230
6 HG3 MET 1 HG3 MET 1 13.083 3.570 3.900
7 HE1 MET 1 HE1 MET 1 11.554 5.681 6.306
8 HE2 MET 1 HE2 MET 1 13.007 5.670 5.306
9 HE3 MET 1 HE3 MET 1 11.797 6.937 5.091
10 H ASN 2 H ASN 2 9.330 -0.876 4.255
11 HA ASN 2 HA ASN 2 8.705 -1.236 1.467
12 HB2 ASN 2 HB2 ASN 2 8.227 -2.864 3.953
13 HB3 ASN 2 HB3 ASN 2 7.493 -3.311 2.416
14 HD21 ASN 2 HD21 ASN 2 9.721 -4.380 4.247
15 HD22 ASN 2 HD22 ASN 2 10.995 -4.750 3.139
16 H ILE 3 H ILE 3 7.475 0.976 1.804
17 HA ILE 3 HA ILE 3 5.017 1.173 3.027
18 HB ILE 3 HB ILE 3 5.784 2.336 0.347
19 HG12 ILE 3 HG12 ILE 3 5.923 3.624 3.077
20 HG13 ILE 3 HG13 ILE 3 7.300 2.849 2.302
21 HG21 ILE 3 HG21 ILE 3 3.379 2.546 1.991
22 HG22 ILE 3 HG22 ILE 3 4.076 4.104 1.549
23 HG23 ILE 3 HG23 ILE 3 3.632 2.948 0.293
24 HD11 ILE 3 HD11 ILE 3 6.850 4.453 0.357
25 HD12 ILE 3 HD12 ILE 3 5.859 5.345 1.512
26 HD13 ILE 3 HD13 ILE 3 7.576 5.101 1.828
27 H THR 4 H THR 4 5.576 0.213 -0.364
28 HA THR 4 HA THR 4 2.989 -1.200 -0.285
29 HB THR 4 HB THR 4 3.413 -0.930 -2.939
30 HG1 THR 4 HG1 THR 4 4.447 0.923 -3.399
31 HG21 THR 4 HG21 THR 4 1.346 -0.351 -1.843
32 HG22 THR 4 HG22 THR 4 1.862 1.015 -2.831
33 HG23 THR 4 HG23 THR 4 2.094 1.053 -1.084
34 H SER 5 H SER 5 6.372 -1.413 -0.909
35 HA SER 5 HA SER 5 6.409 -3.734 -2.513
36 HB2 SER 5 HB2 SER 5 8.541 -2.888 -0.542
37 HB3 SER 5 HB3 SER 5 8.752 -3.874 -1.988
38 HG SER 5 HG SER 5 8.940 -2.110 -3.097
39 H GLN 6 H GLN 6 7.257 -5.866 -1.812
40 HA GLN 6 HA GLN 6 5.706 -6.832 0.414
41 HB2 GLN 6 HB2 GLN 6 6.483 -9.048 -0.277
42 HB3 GLN 6 HB3 GLN 6 5.859 -8.139 -1.647
43 HG2 GLN 6 HG2 GLN 6 8.255 -7.517 -2.156
44 HG3 GLN 6 HG3 GLN 6 8.721 -8.730 -0.965
45 HE21 GLN 6 HE21 GLN 6 8.614 -8.305 -4.099
46 HE22 GLN 6 HE22 GLN 6 8.189 -9.885 -4.651
47 H MET 7 H MET 7 6.728 -8.397 1.983
48 HA MET 7 HA MET 7 9.258 -7.251 2.955
49 HB2 MET 7 HB2 MET 7 6.891 -8.440 4.370
50 HB3 MET 7 HB3 MET 7 8.462 -8.371 5.158
51 HG2 MET 7 HG2 MET 7 7.509 -6.434 5.904
52 HG3 MET 7 HG3 MET 7 8.376 -5.858 4.483
53 HE1 MET 7 HE1 MET 7 4.110 -7.246 4.330
54 HE2 MET 7 HE2 MET 7 5.329 -7.636 5.544
55 HE3 MET 7 HE3 MET 7 4.301 -6.217 5.750
56 H ASN 8 H ASN 8 10.617 -8.803 4.247
57 HA ASN 8 HA ASN 8 10.413 -11.577 3.351
58 HB2 ASN 8 HB2 ASN 8 11.903 -10.140 1.791
59 HB3 ASN 8 HB3 ASN 8 13.055 -10.156 3.123
60 HD21 ASN 8 HD21 ASN 8 14.617 -11.443 2.387
61 HD22 ASN 8 HD22 ASN 8 14.395 -13.074 1.862
62 H LYS 9 H LYS 9 11.956 -13.003 4.507
63 HA LYS 9 HA LYS 9 11.785 -12.683 7.270
64 HB2 LYS 9 HB2 LYS 9 12.261 -14.796 5.816
65 HB3 LYS 9 HB3 LYS 9 13.948 -14.348 6.025
66 HG2 LYS 9 HG2 LYS 9 12.217 -14.528 8.436
67 HG3 LYS 9 HG3 LYS 9 12.764 -16.019 7.665
68 HD2 LYS 9 HD2 LYS 9 14.777 -13.894 8.184
69 HD3 LYS 9 HD3 LYS 9 14.177 -14.822 9.561
70 HE2 LYS 9 HE2 LYS 9 14.752 -16.903 8.303
71 HE3 LYS 9 HE3 LYS 9 15.509 -15.889 7.076
72 HZ1 LYS 9 HZ1 LYS 9 17.220 -15.330 8.460
73 HZ2 LYS 9 HZ2 LYS 9 16.905 -16.896 9.015
74 HZ3 LYS 9 HZ3 LYS 9 16.323 -15.561 9.876
75 H THR 10 H THR 10 14.415 -11.927 5.041
76 HA THR 10 HA THR 10 16.431 -11.372 6.878
77 HB THR 10 HB THR 10 16.249 -9.589 4.511
78 HG1 THR 10 HG1 THR 10 16.831 -11.419 3.163
79 HG21 THR 10 HG21 THR 10 18.278 -9.638 5.825
80 HG22 THR 10 HG22 THR 10 18.594 -10.357 4.245
81 HG23 THR 10 HG23 THR 10 18.383 -11.390 5.658
82 H ILE 11 H ILE 11 13.754 -9.376 5.768
83 HA ILE 11 HA ILE 11 14.589 -6.914 6.803
84 HB ILE 11 HB ILE 11 11.745 -7.906 6.589
85 HG12 ILE 11 HG12 ILE 11 13.005 -8.137 4.468
86 HG13 ILE 11 HG13 ILE 11 11.728 -6.929 4.360
87 HG21 ILE 11 HG21 ILE 11 11.607 -5.282 6.072
88 HG22 ILE 11 HG22 ILE 11 11.436 -5.955 7.692
89 HG23 ILE 11 HG23 ILE 11 12.984 -5.289 7.174
90 HD11 ILE 11 HD11 ILE 11 14.615 -6.271 4.875
91 HD12 ILE 11 HD12 ILE 11 13.868 -6.282 3.277
92 HD13 ILE 11 HD13 ILE 11 13.304 -5.151 4.506
93 H ILE 12 H ILE 12 12.875 -9.601 8.310
94 HA ILE 12 HA ILE 12 12.135 -8.363 10.702
95 HB ILE 12 HB ILE 12 12.940 -11.249 10.325
96 HG12 ILE 12 HG12 ILE 12 11.195 -10.616 8.745
97 HG13 ILE 12 HG13 ILE 12 10.520 -11.646 10.002
98 HG21 ILE 12 HG21 ILE 12 11.245 -9.918 12.434
99 HG22 ILE 12 HG22 ILE 12 11.476 -11.657 12.259
100 HG23 ILE 12 HG23 ILE 12 12.846 -10.623 12.664
101 HD11 ILE 12 HD11 ILE 12 10.272 -8.654 9.822
102 HD12 ILE 12 HD12 ILE 12 9.009 -9.840 9.495
103 HD13 ILE 12 HD13 ILE 12 9.640 -9.653 11.131
104 H GLY 13 H GLY 13 15.103 -10.146 9.884
105 HA2 GLY 13 HA2 GLY 13 16.370 -10.113 12.337
106 HA3 GLY 13 HA3 GLY 13 17.210 -10.040 10.795
107 H VAL 14 H VAL 14 17.028 -7.739 9.757
108 HA VAL 14 HA VAL 14 18.554 -5.985 11.234
109 HB VAL 14 HB VAL 14 16.603 -5.243 9.049
110 HG11 VAL 14 HG11 VAL 14 18.660 -3.517 8.800
111 HG12 VAL 14 HG12 VAL 14 17.193 -3.170 9.717
112 HG13 VAL 14 HG13 VAL 14 18.642 -3.735 10.550
113 HG21 VAL 14 HG21 VAL 14 19.376 -5.379 8.275
114 HG22 VAL 14 HG22 VAL 14 18.830 -6.923 8.930
115 HG23 VAL 14 HG23 VAL 14 17.974 -6.189 7.574
116 H SER 15 H SER 15 15.027 -6.037 10.872
117 HA SER 15 HA SER 15 14.352 -3.711 12.180
118 HB2 SER 15 HB2 SER 15 12.833 -5.470 11.049
119 HB3 SER 15 HB3 SER 15 12.797 -6.251 12.629
120 HG SER 15 HG SER 15 11.097 -4.878 12.641
121 H VAL 16 H VAL 16 14.929 -6.908 13.621
122 HA VAL 16 HA VAL 16 14.444 -6.152 16.289
123 HB VAL 16 HB VAL 16 16.353 -8.321 15.427
124 HG11 VAL 16 HG11 VAL 16 16.468 -8.078 17.749
125 HG12 VAL 16 HG12 VAL 16 14.735 -7.777 17.895
126 HG13 VAL 16 HG13 VAL 16 15.321 -9.396 17.511
127 HG21 VAL 16 HG21 VAL 16 13.952 -9.562 15.864
128 HG22 VAL 16 HG22 VAL 16 13.469 -8.092 15.018
129 HG23 VAL 16 HG23 VAL 16 14.636 -9.191 14.281
130 H LEU 17 H LEU 17 17.451 -6.334 14.411
131 HA LEU 17 HA LEU 17 19.291 -5.752 16.378
132 HB2 LEU 17 HB2 LEU 17 19.156 -5.267 13.452
133 HB3 LEU 17 HB3 LEU 17 20.425 -4.449 14.362
134 HG LEU 17 HG LEU 17 20.098 -7.399 14.668
135 HD11 LEU 17 HD11 LEU 17 20.266 -7.634 12.437
136 HD12 LEU 17 HD12 LEU 17 21.966 -7.267 12.727
137 HD13 LEU 17 HD13 LEU 17 20.866 -5.993 12.200
138 HD21 LEU 17 HD21 LEU 17 22.345 -7.347 15.274
139 HD22 LEU 17 HD22 LEU 17 21.698 -5.862 15.972
140 HD23 LEU 17 HD23 LEU 17 22.627 -5.801 14.473
141 H SER 18 H SER 18 17.562 -3.421 14.310
142 HA SER 18 HA SER 18 18.623 -1.100 15.456
143 HB2 SER 18 HB2 SER 18 17.253 -1.322 13.307
144 HB3 SER 18 HB3 SER 18 15.825 -1.300 14.341
145 HG SER 18 HG SER 18 17.762 0.726 13.972
146 H VAL 19 H VAL 19 15.741 -2.977 16.287
147 HA VAL 19 HA VAL 19 14.595 -1.308 18.172
148 HB VAL 19 HB VAL 19 14.726 -4.326 18.218
149 HG11 VAL 19 HG11 VAL 19 12.465 -3.870 19.476
150 HG12 VAL 19 HG12 VAL 19 14.000 -3.876 20.347
151 HG13 VAL 19 HG13 VAL 19 13.252 -2.346 19.886
152 HG21 VAL 19 HG21 VAL 19 12.206 -3.141 17.455
153 HG22 VAL 19 HG22 VAL 19 13.508 -2.610 16.392
154 HG23 VAL 19 HG23 VAL 19 13.191 -4.332 16.605
155 H LEU 20 H LEU 20 16.769 -4.046 18.902
156 HA LEU 20 HA LEU 20 17.126 -3.562 21.592
157 HB2 LEU 20 HB2 LEU 20 18.885 -4.791 19.506
158 HB3 LEU 20 HB3 LEU 20 19.455 -4.613 21.164
159 HG LEU 20 HG LEU 20 18.433 -6.862 20.431
160 HD11 LEU 20 HD11 LEU 20 18.996 -6.333 22.728
161 HD12 LEU 20 HD12 LEU 20 17.461 -7.196 22.659
162 HD13 LEU 20 HD13 LEU 20 17.480 -5.452 22.920
163 HD21 LEU 20 HD21 LEU 20 15.907 -5.287 20.920
164 HD22 LEU 20 HD22 LEU 20 16.021 -7.026 20.649
165 HD23 LEU 20 HD23 LEU 20 16.444 -5.903 19.356
166 H VAL 21 H VAL 21 18.940 -2.220 18.860
167 HA VAL 21 HA VAL 21 20.932 -0.866 20.214
168 HB VAL 21 HB VAL 21 19.460 0.014 17.727
169 HG11 VAL 21 HG11 VAL 21 20.550 1.947 18.131
170 HG12 VAL 21 HG12 VAL 21 21.715 1.188 19.218
171 HG13 VAL 21 HG13 VAL 21 21.926 1.064 17.472
172 HG21 VAL 21 HG21 VAL 21 22.181 -1.100 17.575
173 HG22 VAL 21 HG22 VAL 21 20.918 -2.239 18.041
174 HG23 VAL 21 HG23 VAL 21 20.790 -1.353 16.521
175 H VAL 22 H VAL 22 17.928 0.660 19.031
176 HA VAL 22 HA VAL 22 18.179 3.061 20.378
177 HB VAL 22 HB VAL 22 15.624 1.591 19.712
178 HG11 VAL 22 HG11 VAL 22 15.173 3.308 21.339
179 HG12 VAL 22 HG12 VAL 22 16.105 4.485 20.411
180 HG13 VAL 22 HG13 VAL 22 14.595 3.843 19.762
181 HG21 VAL 22 HG21 VAL 22 16.893 3.821 18.152
182 HG22 VAL 22 HG22 VAL 22 17.289 2.129 17.850
183 HG23 VAL 22 HG23 VAL 22 15.633 2.697 17.642
184 H SER 23 H SER 23 16.401 0.162 21.442
185 HA SER 23 HA SER 23 15.458 1.078 23.864
186 HB2 SER 23 HB2 SER 23 15.271 -1.271 22.615
187 HB3 SER 23 HB3 SER 23 16.519 -1.707 23.783
188 HG SER 23 HG SER 23 14.624 -2.109 24.798
189 H VAL 24 H VAL 24 18.450 -0.820 23.432
190 HA VAL 24 HA VAL 24 19.441 -0.601 25.997
191 HB VAL 24 HB VAL 24 21.027 -0.653 23.426
192 HG11 VAL 24 HG11 VAL 24 21.848 -0.466 26.193
193 HG12 VAL 24 HG12 VAL 24 22.471 -1.929 25.427
194 HG13 VAL 24 HG13 VAL 24 22.812 -0.349 24.721
195 HG21 VAL 24 HG21 VAL 24 20.873 -2.937 23.429
196 HG22 VAL 24 HG22 VAL 24 20.619 -3.030 25.171
197 HG23 VAL 24 HG23 VAL 24 19.301 -2.524 24.114
198 H VAL 25 H VAL 25 20.207 1.520 23.234
199 HA VAL 25 HA VAL 25 21.883 3.309 24.487
200 HB VAL 25 HB VAL 25 19.820 3.908 22.363
201 HG11 VAL 25 HG11 VAL 25 22.204 5.507 23.286
202 HG12 VAL 25 HG12 VAL 25 21.280 5.839 21.820
203 HG13 VAL 25 HG13 VAL 25 20.506 5.969 23.399
204 HG21 VAL 25 HG21 VAL 25 22.727 3.629 21.809
205 HG22 VAL 25 HG22 VAL 25 21.788 2.162 22.086
206 HG23 VAL 25 HG23 VAL 25 21.340 3.262 20.783
207 H ALA 26 H ALA 26 18.343 3.587 24.171
208 HA ALA 26 HA ALA 26 17.951 5.945 25.542
209 HB1 ALA 26 HB1 ALA 26 15.997 5.241 24.634
210 HB2 ALA 26 HB2 ALA 26 16.296 3.546 25.024
211 HB3 ALA 26 HB3 ALA 26 15.737 4.654 26.277
212 H VAL 27 H VAL 27 18.268 2.671 26.860
213 HA VAL 27 HA VAL 27 17.795 3.424 29.562
214 HB VAL 27 HB VAL 27 19.215 0.990 28.470
215 HG11 VAL 27 HG11 VAL 27 19.855 0.891 30.651
216 HG12 VAL 27 HG12 VAL 27 18.485 1.852 31.213
217 HG13 VAL 27 HG13 VAL 27 18.262 0.151 30.803
218 HG21 VAL 27 HG21 VAL 27 17.170 -0.127 28.478
219 HG22 VAL 27 HG22 VAL 27 16.405 1.079 29.512
220 HG23 VAL 27 HG23 VAL 27 16.764 1.462 27.829
221 H LEU 28 H LEU 28 20.733 2.872 27.656
222 HA LEU 28 HA LEU 28 22.653 3.075 29.620
223 HB2 LEU 28 HB2 LEU 28 22.688 4.057 26.775
224 HB3 LEU 28 HB3 LEU 28 24.113 4.049 27.812
225 HG LEU 28 HG LEU 28 22.577 1.534 27.240
226 HD11 LEU 28 HD11 LEU 28 24.172 3.096 25.392
227 HD12 LEU 28 HD12 LEU 28 23.164 1.679 25.099
228 HD13 LEU 28 HD13 LEU 28 24.830 1.478 25.640
229 HD21 LEU 28 HD21 LEU 28 24.421 0.429 28.068
230 HD22 LEU 28 HD22 LEU 28 24.386 1.867 29.088
231 HD23 LEU 28 HD23 LEU 28 25.512 1.773 27.733
232 H VAL 29 H VAL 29 21.329 5.756 27.676
233 HA VAL 29 HA VAL 29 22.693 7.796 29.071
234 HB VAL 29 HB VAL 29 20.064 8.132 27.633
235 HG11 VAL 29 HG11 VAL 29 20.806 10.077 28.876
236 HG12 VAL 29 HG12 VAL 29 22.391 9.994 28.103
237 HG13 VAL 29 HG13 VAL 29 20.959 10.371 27.144
238 HG21 VAL 29 HG21 VAL 29 21.583 8.666 25.648
239 HG22 VAL 29 HG22 VAL 29 22.839 7.800 26.533
240 HG23 VAL 29 HG23 VAL 29 21.357 6.966 26.062
241 H TYR 30 H TYR 30 19.515 6.326 29.496
242 HA TYR 30 HA TYR 30 18.362 8.071 31.293
243 HB2 TYR 30 HB2 TYR 30 17.769 5.542 30.309
244 HB3 TYR 30 HB3 TYR 30 17.900 5.295 32.047
245 HD1 TYR 30 HD1 TYR 30 16.150 5.923 33.478
246 HD2 TYR 30 HD2 TYR 30 16.193 7.359 29.473
247 HE1 TYR 30 HE1 TYR 30 13.879 6.817 33.781
248 HE2 TYR 30 HE2 TYR 30 13.922 8.258 29.765
249 HH TYR 30 HH TYR 30 12.526 8.869 32.521
250 H LYS 31 H LYS 31 20.639 5.438 31.940
251 HA LYS 31 HA LYS 31 20.689 6.053 34.776
252 HB2 LYS 31 HB2 LYS 31 22.515 4.130 33.351
253 HB3 LYS 31 HB3 LYS 31 22.021 4.118 35.039
254 HG2 LYS 31 HG2 LYS 31 19.824 3.401 34.472
255 HG3 LYS 31 HG3 LYS 31 20.125 3.649 32.751
256 HD2 LYS 31 HD2 LYS 31 20.462 1.396 32.860
257 HD3 LYS 31 HD3 LYS 31 22.098 1.942 33.234
258 HE2 LYS 31 HE2 LYS 31 21.225 1.906 35.699
259 HE3 LYS 31 HE3 LYS 31 20.008 0.811 35.044
260 HZ1 LYS 31 HZ1 LYS 31 22.259 -0.092 35.968
261 HZ2 LYS 31 HZ2 LYS 31 22.830 0.307 34.427
262 HZ3 LYS 31 HZ3 LYS 31 21.553 -0.790 34.598
263 H PHE 32 H PHE 32 23.065 5.965 32.118
264 HA PHE 32 HA PHE 32 25.248 6.998 33.439
265 HB2 PHE 32 HB2 PHE 32 24.334 7.172 30.588
266 HB3 PHE 32 HB3 PHE 32 25.783 8.030 31.100
267 HD1 PHE 32 HD1 PHE 32 24.900 5.304 29.391
268 HD2 PHE 32 HD2 PHE 32 27.148 6.283 32.870
269 HE1 PHE 32 HE1 PHE 32 26.209 3.239 29.122
270 HE2 PHE 32 HE2 PHE 32 28.462 4.220 32.605
271 HZ PHE 32 HZ PHE 32 27.994 2.695 30.729
272 H TYR 33 H TYR 33 22.342 8.602 32.510
273 HA TYR 33 HA TYR 33 23.527 11.214 33.167
274 HB2 TYR 33 HB2 TYR 33 22.325 10.790 30.914
275 HB3 TYR 33 HB3 TYR 33 20.843 10.847 31.861
276 HD1 TYR 33 HD1 TYR 33 20.842 12.970 33.571
277 HD2 TYR 33 HD2 TYR 33 22.900 12.747 29.854
278 HE1 TYR 33 HE1 TYR 33 20.840 15.425 33.430
279 HE2 TYR 33 HE2 TYR 33 22.905 15.202 29.703
280 HH TYR 33 HH TYR 33 21.939 17.101 30.555
281 H PHE 34 H PHE 34 20.521 9.349 33.594
282 HA PHE 34 HA PHE 34 20.090 10.794 36.124
283 HB2 PHE 34 HB2 PHE 34 18.012 9.377 34.445
284 HB3 PHE 34 HB3 PHE 34 17.719 10.372 35.867
285 HD1 PHE 34 HD1 PHE 34 17.601 12.732 35.716
286 HD2 PHE 34 HD2 PHE 34 18.790 10.424 32.343
287 HE1 PHE 34 HE1 PHE 34 17.367 14.716 34.279
288 HE2 PHE 34 HE2 PHE 34 18.558 12.404 30.902
289 HZ PHE 34 HZ PHE 34 17.847 14.554 31.869
290 H HIS 35 H HIS 35 21.854 8.804 36.339
291 HA HIS 35 HA HIS 35 21.064 6.201 36.681
292 HB2 HIS 35 HB2 HIS 35 23.368 6.735 36.940
293 HB3 HIS 35 HB3 HIS 35 23.034 7.854 38.259
294 HD1 HIS 35 HD1 HIS 35 22.176 4.172 37.754
295 HD2 HIS 35 HD2 HIS 35 23.949 6.713 40.522
296 HE1 HIS 35 HE1 HIS 35 22.786 2.715 39.710
Start of MODEL 7
1 H1 MET 1 H MET 1 2.858 3.467 3.937
2 HA MET 1 HA MET 1 0.697 1.607 4.345
3 HB2 MET 1 HB2 MET 1 -0.025 1.618 1.968
4 HB3 MET 1 HB3 MET 1 -0.414 3.108 2.816
5 HG2 MET 1 HG2 MET 1 2.157 3.046 1.370
6 HG3 MET 1 HG3 MET 1 0.693 3.041 0.389
7 HE1 MET 1 HE1 MET 1 2.788 6.587 1.709
8 HE2 MET 1 HE2 MET 1 3.319 4.905 1.664
9 HE3 MET 1 HE3 MET 1 2.771 5.698 0.186
10 H ASN 2 H ASN 2 0.910 -0.201 2.554
11 HA ASN 2 HA ASN 2 3.638 -1.121 2.727
12 HB2 ASN 2 HB2 ASN 2 1.431 -2.500 2.967
13 HB3 ASN 2 HB3 ASN 2 1.487 -2.561 1.208
14 HD21 ASN 2 HD21 ASN 2 2.012 -4.618 0.832
15 HD22 ASN 2 HD22 ASN 2 3.430 -5.404 1.428
16 H ILE 3 H ILE 3 5.142 -0.729 1.255
17 HA ILE 3 HA ILE 3 4.345 0.171 -1.409
18 HB ILE 3 HB ILE 3 7.154 0.085 -0.327
19 HG12 ILE 3 HG12 ILE 3 6.323 2.714 -0.146
20 HG13 ILE 3 HG13 ILE 3 4.921 1.819 0.431
21 HG21 ILE 3 HG21 ILE 3 6.343 2.228 -2.139
22 HG22 ILE 3 HG22 ILE 3 7.751 1.168 -2.192
23 HG23 ILE 3 HG23 ILE 3 6.206 0.614 -2.837
24 HD11 ILE 3 HD11 ILE 3 7.281 0.740 1.617
25 HD12 ILE 3 HD12 ILE 3 7.249 2.489 1.843
26 HD13 ILE 3 HD13 ILE 3 5.891 1.504 2.388
27 H THR 4 H THR 4 4.057 -2.613 -0.711
28 HA THR 4 HA THR 4 4.707 -4.732 -1.341
29 HB THR 4 HB THR 4 3.491 -3.917 -3.302
30 HG1 THR 4 HG1 THR 4 4.095 -5.633 -4.423
31 HG21 THR 4 HG21 THR 4 4.761 -3.067 -5.257
32 HG22 THR 4 HG22 THR 4 6.206 -2.994 -4.248
33 HG23 THR 4 HG23 THR 4 4.815 -1.977 -3.873
34 H SER 5 H SER 5 6.871 -3.452 -0.151
35 HA SER 5 HA SER 5 9.231 -3.307 -1.591
36 HB2 SER 5 HB2 SER 5 8.818 -4.213 1.268
37 HB3 SER 5 HB3 SER 5 10.377 -3.771 0.572
38 HG SER 5 HG SER 5 8.151 -2.142 1.131
39 H GLN 6 H GLN 6 10.782 -4.741 -2.233
40 HA GLN 6 HA GLN 6 9.980 -7.558 -2.248
41 HB2 GLN 6 HB2 GLN 6 11.836 -5.921 -3.954
42 HB3 GLN 6 HB3 GLN 6 11.921 -7.678 -3.958
43 HG2 GLN 6 HG2 GLN 6 9.543 -7.757 -4.608
44 HG3 GLN 6 HG3 GLN 6 9.536 -5.996 -4.691
45 HE21 GLN 6 HE21 GLN 6 9.743 -8.701 -6.493
46 HE22 GLN 6 HE22 GLN 6 10.607 -8.091 -7.859
47 H MET 7 H MET 7 11.039 -6.455 0.154
48 HA MET 7 HA MET 7 13.744 -7.573 0.297
49 HB2 MET 7 HB2 MET 7 12.225 -5.563 1.865
50 HB3 MET 7 HB3 MET 7 13.374 -6.554 2.754
51 HG2 MET 7 HG2 MET 7 14.699 -4.794 2.179
52 HG3 MET 7 HG3 MET 7 14.994 -5.872 0.818
53 HE1 MET 7 HE1 MET 7 13.899 -1.649 0.624
54 HE2 MET 7 HE2 MET 7 12.886 -2.458 1.820
55 HE3 MET 7 HE3 MET 7 14.641 -2.622 1.894
56 H ASN 8 H ASN 8 14.304 -8.946 2.132
57 HA ASN 8 HA ASN 8 12.293 -10.974 2.541
58 HB2 ASN 8 HB2 ASN 8 15.215 -10.715 3.113
59 HB3 ASN 8 HB3 ASN 8 14.288 -11.924 3.997
60 HD21 ASN 8 HD21 ASN 8 15.225 -10.828 0.798
61 HD22 ASN 8 HD22 ASN 8 15.016 -12.352 0.011
62 H LYS 9 H LYS 9 11.117 -11.334 4.327
63 HA LYS 9 HA LYS 9 10.753 -9.366 6.266
64 HB2 LYS 9 HB2 LYS 9 9.011 -10.958 5.840
65 HB3 LYS 9 HB3 LYS 9 10.054 -12.303 6.280
66 HG2 LYS 9 HG2 LYS 9 8.435 -11.820 8.030
67 HG3 LYS 9 HG3 LYS 9 10.086 -11.546 8.591
68 HD2 LYS 9 HD2 LYS 9 9.843 -9.218 8.524
69 HD3 LYS 9 HD3 LYS 9 8.418 -9.308 7.485
70 HE2 LYS 9 HE2 LYS 9 7.287 -10.501 9.439
71 HE3 LYS 9 HE3 LYS 9 8.646 -9.944 10.414
72 HZ1 LYS 9 HZ1 LYS 9 6.673 -8.274 8.961
73 HZ2 LYS 9 HZ2 LYS 9 8.085 -7.654 9.655
74 HZ3 LYS 9 HZ3 LYS 9 6.906 -8.370 10.634
75 H THR 10 H THR 10 13.003 -12.002 6.120
76 HA THR 10 HA THR 10 13.648 -12.300 8.819
77 HB THR 10 HB THR 10 15.889 -12.454 6.881
78 HG1 THR 10 HG1 THR 10 13.558 -14.087 6.714
79 HG21 THR 10 HG21 THR 10 14.735 -14.345 8.934
80 HG22 THR 10 HG22 THR 10 16.148 -13.309 9.138
81 HG23 THR 10 HG23 THR 10 16.191 -14.643 7.985
82 H ILE 11 H ILE 11 15.216 -10.233 6.372
83 HA ILE 11 HA ILE 11 17.101 -9.030 8.010
84 HB ILE 11 HB ILE 11 15.636 -7.725 5.714
85 HG12 ILE 11 HG12 ILE 11 18.269 -9.202 5.640
86 HG13 ILE 11 HG13 ILE 11 16.732 -9.961 5.240
87 HG21 ILE 11 HG21 ILE 11 16.799 -5.932 6.372
88 HG22 ILE 11 HG22 ILE 11 17.832 -6.881 7.440
89 HG23 ILE 11 HG23 ILE 11 18.204 -6.776 5.719
90 HD11 ILE 11 HD11 ILE 11 18.240 -9.014 3.360
91 HD12 ILE 11 HD12 ILE 11 16.496 -8.755 3.295
92 HD13 ILE 11 HD13 ILE 11 17.561 -7.460 3.843
93 H ILE 12 H ILE 12 13.770 -8.003 7.331
94 HA ILE 12 HA ILE 12 13.733 -5.615 8.726
95 HB ILE 12 HB ILE 12 11.472 -7.611 8.562
96 HG12 ILE 12 HG12 ILE 12 12.239 -5.351 6.701
97 HG13 ILE 12 HG13 ILE 12 12.374 -7.070 6.347
98 HG21 ILE 12 HG21 ILE 12 10.012 -5.703 8.878
99 HG22 ILE 12 HG22 ILE 12 11.140 -5.831 10.226
100 HG23 ILE 12 HG23 ILE 12 11.403 -4.624 8.968
101 HD11 ILE 12 HD11 ILE 12 10.432 -6.460 5.262
102 HD12 ILE 12 HD12 ILE 12 9.833 -7.117 6.786
103 HD13 ILE 12 HD13 ILE 12 9.929 -5.371 6.555
104 H GLY 13 H GLY 13 13.087 -8.892 9.946
105 HA2 GLY 13 HA2 GLY 13 12.352 -8.303 12.541
106 HA3 GLY 13 HA3 GLY 13 13.229 -9.752 12.072
107 H VAL 14 H VAL 14 15.663 -9.245 11.608
108 HA VAL 14 HA VAL 14 16.911 -8.659 13.992
109 HB VAL 14 HB VAL 14 18.116 -8.251 11.252
110 HG11 VAL 14 HG11 VAL 14 19.177 -8.167 13.977
111 HG12 VAL 14 HG12 VAL 14 20.080 -9.217 12.883
112 HG13 VAL 14 HG13 VAL 14 19.842 -7.517 12.479
113 HG21 VAL 14 HG21 VAL 14 17.084 -10.604 12.428
114 HG22 VAL 14 HG22 VAL 14 18.006 -10.446 10.933
115 HG23 VAL 14 HG23 VAL 14 18.843 -10.730 12.459
116 H SER 15 H SER 15 16.283 -6.485 11.264
117 HA SER 15 HA SER 15 17.671 -4.248 12.076
118 HB2 SER 15 HB2 SER 15 14.958 -4.321 10.733
119 HB3 SER 15 HB3 SER 15 16.045 -2.934 10.770
120 HG SER 15 HG SER 15 17.520 -4.091 9.548
121 H VAL 16 H VAL 16 14.357 -5.181 12.958
122 HA VAL 16 HA VAL 16 13.822 -2.951 14.594
123 HB VAL 16 HB VAL 16 12.637 -5.697 14.978
124 HG11 VAL 16 HG11 VAL 16 11.805 -2.901 15.660
125 HG12 VAL 16 HG12 VAL 16 10.607 -4.185 15.482
126 HG13 VAL 16 HG13 VAL 16 11.878 -4.326 16.697
127 HG21 VAL 16 HG21 VAL 16 12.008 -5.580 12.832
128 HG22 VAL 16 HG22 VAL 16 10.874 -4.345 13.380
129 HG23 VAL 16 HG23 VAL 16 12.432 -3.872 12.703
130 H LEU 17 H LEU 17 15.098 -6.173 15.340
131 HA LEU 17 HA LEU 17 15.177 -5.935 18.123
132 HB2 LEU 17 HB2 LEU 17 16.943 -7.479 16.236
133 HB3 LEU 17 HB3 LEU 17 16.997 -7.651 17.989
134 HG LEU 17 HG LEU 17 14.473 -8.144 16.437
135 HD11 LEU 17 HD11 LEU 17 15.069 -10.236 15.843
136 HD12 LEU 17 HD12 LEU 17 16.115 -10.456 17.246
137 HD13 LEU 17 HD13 LEU 17 16.690 -9.541 15.853
138 HD21 LEU 17 HD21 LEU 17 14.111 -7.922 18.770
139 HD22 LEU 17 HD22 LEU 17 15.508 -8.928 19.153
140 HD23 LEU 17 HD23 LEU 17 14.077 -9.649 18.416
141 H SER 18 H SER 18 17.452 -4.885 15.651
142 HA SER 18 HA SER 18 19.505 -4.130 17.488
143 HB2 SER 18 HB2 SER 18 19.973 -4.680 15.121
144 HB3 SER 18 HB3 SER 18 19.080 -3.243 14.623
145 HG SER 18 HG SER 18 21.572 -3.449 15.888
146 H VAL 19 H VAL 19 16.735 -2.544 16.068
147 HA VAL 19 HA VAL 19 17.459 0.124 16.661
148 HB VAL 19 HB VAL 19 14.713 -1.096 16.342
149 HG11 VAL 19 HG11 VAL 19 14.397 0.943 17.484
150 HG12 VAL 19 HG12 VAL 19 15.624 1.765 16.517
151 HG13 VAL 19 HG13 VAL 19 14.089 1.298 15.784
152 HG21 VAL 19 HG21 VAL 19 16.702 -0.835 14.466
153 HG22 VAL 19 HG22 VAL 19 14.977 -0.962 14.124
154 HG23 VAL 19 HG23 VAL 19 15.742 0.624 14.224
155 H LEU 20 H LEU 20 15.273 -2.126 18.358
156 HA LEU 20 HA LEU 20 14.752 -0.446 20.547
157 HB2 LEU 20 HB2 LEU 20 14.131 -2.594 21.709
158 HB3 LEU 20 HB3 LEU 20 13.292 -2.255 20.197
159 HG LEU 20 HG LEU 20 15.380 -3.795 19.345
160 HD11 LEU 20 HD11 LEU 20 15.713 -4.112 21.945
161 HD12 LEU 20 HD12 LEU 20 15.939 -5.445 20.814
162 HD13 LEU 20 HD13 LEU 20 14.433 -5.304 21.721
163 HD21 LEU 20 HD21 LEU 20 13.216 -4.171 18.530
164 HD22 LEU 20 HD22 LEU 20 12.564 -4.467 20.141
165 HD23 LEU 20 HD23 LEU 20 13.631 -5.654 19.389
166 H VAL 21 H VAL 21 17.088 -3.106 20.187
167 HA VAL 21 HA VAL 21 18.210 -3.121 22.694
168 HB VAL 21 HB VAL 21 19.470 -3.584 20.000
169 HG11 VAL 21 HG11 VAL 21 20.739 -3.716 22.719
170 HG12 VAL 21 HG12 VAL 21 21.340 -4.663 21.357
171 HG13 VAL 21 HG13 VAL 21 21.324 -2.901 21.269
172 HG21 VAL 21 HG21 VAL 21 17.769 -5.106 21.538
173 HG22 VAL 21 HG22 VAL 21 18.814 -5.706 20.250
174 HG23 VAL 21 HG23 VAL 21 19.358 -5.765 21.926
175 H VAL 22 H VAL 22 19.508 -1.286 19.919
176 HA VAL 22 HA VAL 22 21.459 0.139 21.245
177 HB VAL 22 HB VAL 22 19.742 1.081 18.944
178 HG11 VAL 22 HG11 VAL 22 20.713 3.060 19.366
179 HG12 VAL 22 HG12 VAL 22 21.949 2.346 20.403
180 HG13 VAL 22 HG13 VAL 22 22.144 2.320 18.650
181 HG21 VAL 22 HG21 VAL 22 21.241 -1.077 18.857
182 HG22 VAL 22 HG22 VAL 22 21.207 0.056 17.506
183 HG23 VAL 22 HG23 VAL 22 22.540 0.099 18.659
184 H SER 23 H SER 23 18.109 1.193 20.626
185 HA SER 23 HA SER 23 18.185 3.640 21.901
186 HB2 SER 23 HB2 SER 23 16.201 3.275 20.760
187 HB3 SER 23 HB3 SER 23 16.009 1.644 21.403
188 HG SER 23 HG SER 23 14.784 2.492 22.867
189 H VAL 24 H VAL 24 17.349 0.484 23.318
190 HA VAL 24 HA VAL 24 16.796 1.288 25.905
191 HB VAL 24 HB VAL 24 18.180 -1.255 25.039
192 HG11 VAL 24 HG11 VAL 24 16.838 -1.981 27.223
193 HG12 VAL 24 HG12 VAL 24 18.498 -1.383 27.286
194 HG13 VAL 24 HG13 VAL 24 17.154 -0.299 27.650
195 HG21 VAL 24 HG21 VAL 24 15.429 -1.569 25.754
196 HG22 VAL 24 HG22 VAL 24 15.574 -0.310 24.528
197 HG23 VAL 24 HG23 VAL 24 16.225 -1.920 24.220
198 H VAL 25 H VAL 25 19.943 0.220 24.613
199 HA VAL 25 HA VAL 25 21.487 0.526 26.875
200 HB VAL 25 HB VAL 25 22.288 1.113 24.021
201 HG11 VAL 25 HG11 VAL 25 23.891 2.105 25.517
202 HG12 VAL 25 HG12 VAL 25 23.972 0.625 26.475
203 HG13 VAL 25 HG13 VAL 25 24.588 0.643 24.822
204 HG21 VAL 25 HG21 VAL 25 22.498 -1.396 25.683
205 HG22 VAL 25 HG22 VAL 25 21.434 -1.139 24.299
206 HG23 VAL 25 HG23 VAL 25 23.183 -1.182 24.072
207 H ALA 26 H ALA 26 20.917 2.981 24.352
208 HA ALA 26 HA ALA 26 22.350 5.073 25.428
209 HB1 ALA 26 HB1 ALA 26 19.735 5.777 24.243
210 HB2 ALA 26 HB2 ALA 26 21.352 6.374 23.867
211 HB3 ALA 26 HB3 ALA 26 20.824 4.810 23.248
212 H VAL 27 H VAL 27 19.042 4.065 26.187
213 HA VAL 27 HA VAL 27 18.509 6.214 27.974
214 HB VAL 27 HB VAL 27 17.185 3.502 27.813
215 HG11 VAL 27 HG11 VAL 27 15.284 5.186 28.726
216 HG12 VAL 27 HG12 VAL 27 16.308 4.197 29.770
217 HG13 VAL 27 HG13 VAL 27 16.718 5.887 29.475
218 HG21 VAL 27 HG21 VAL 27 16.279 4.199 25.910
219 HG22 VAL 27 HG22 VAL 27 15.555 5.559 26.768
220 HG23 VAL 27 HG23 VAL 27 17.147 5.729 26.029
221 H LEU 28 H LEU 28 19.552 2.855 28.434
222 HA LEU 28 HA LEU 28 19.483 2.678 31.180
223 HB2 LEU 28 HB2 LEU 28 21.194 1.462 29.073
224 HB3 LEU 28 HB3 LEU 28 21.667 1.247 30.757
225 HG LEU 28 HG LEU 28 18.902 0.537 29.843
226 HD11 LEU 28 HD11 LEU 28 21.331 -1.242 29.701
227 HD12 LEU 28 HD12 LEU 28 20.429 -0.610 28.324
228 HD13 LEU 28 HD13 LEU 28 19.661 -1.742 29.436
229 HD21 LEU 28 HD21 LEU 28 20.069 0.612 32.304
230 HD22 LEU 28 HD22 LEU 28 20.321 -1.070 31.838
231 HD23 LEU 28 HD23 LEU 28 18.690 -0.398 31.868
232 H VAL 29 H VAL 29 22.244 3.767 29.203
233 HA VAL 29 HA VAL 29 23.870 4.500 31.391
234 HB VAL 29 HB VAL 29 24.008 5.712 28.634
235 HG11 VAL 29 HG11 VAL 29 25.431 6.768 30.294
236 HG12 VAL 29 HG12 VAL 29 26.104 5.199 30.742
237 HG13 VAL 29 HG13 VAL 29 26.408 5.864 29.136
238 HG21 VAL 29 HG21 VAL 29 23.908 3.358 28.281
239 HG22 VAL 29 HG22 VAL 29 25.600 3.835 28.138
240 HG23 VAL 29 HG23 VAL 29 25.027 3.050 29.609
241 H TYR 30 H TYR 30 21.551 6.298 29.432
242 HA TYR 30 HA TYR 30 22.080 8.883 30.234
243 HB2 TYR 30 HB2 TYR 30 20.075 7.612 28.790
244 HB3 TYR 30 HB3 TYR 30 19.216 8.361 30.131
245 HD1 TYR 30 HD1 TYR 30 22.006 9.318 27.823
246 HD2 TYR 30 HD2 TYR 30 18.330 10.427 29.656
247 HE1 TYR 30 HE1 TYR 30 22.084 11.481 26.655
248 HE2 TYR 30 HE2 TYR 30 18.397 12.593 28.492
249 HH TYR 30 HH TYR 30 21.198 13.616 26.674
250 H LYS 31 H LYS 31 20.131 6.426 31.874
251 HA LYS 31 HA LYS 31 19.567 8.215 34.089
252 HB2 LYS 31 HB2 LYS 31 18.941 5.272 33.986
253 HB3 LYS 31 HB3 LYS 31 18.131 6.526 34.915
254 HG2 LYS 31 HG2 LYS 31 17.118 7.431 32.962
255 HG3 LYS 31 HG3 LYS 31 18.099 6.407 31.910
256 HD2 LYS 31 HD2 LYS 31 16.168 5.190 31.921
257 HD3 LYS 31 HD3 LYS 31 16.960 4.485 33.333
258 HE2 LYS 31 HE2 LYS 31 15.161 6.859 33.628
259 HE3 LYS 31 HE3 LYS 31 14.481 5.238 33.499
260 HZ1 LYS 31 HZ1 LYS 31 16.591 5.235 35.368
261 HZ2 LYS 31 HZ2 LYS 31 14.957 4.876 35.616
262 HZ3 LYS 31 HZ3 LYS 31 15.504 6.469 35.765
263 H PHE 32 H PHE 32 21.185 5.065 33.673
264 HA PHE 32 HA PHE 32 22.169 4.734 36.223
265 HB2 PHE 32 HB2 PHE 32 23.155 3.883 33.527
266 HB3 PHE 32 HB3 PHE 32 24.154 3.580 34.944
267 HD1 PHE 32 HD1 PHE 32 20.501 3.326 34.210
268 HD2 PHE 32 HD2 PHE 32 24.022 1.404 35.635
269 HE1 PHE 32 HE1 PHE 32 19.195 1.297 34.690
270 HE2 PHE 32 HE2 PHE 32 22.721 -0.629 36.115
271 HZ PHE 32 HZ PHE 32 20.305 -0.684 35.642
272 H TYR 33 H TYR 33 23.148 7.001 33.819
273 HA TYR 33 HA TYR 33 25.510 7.734 35.414
274 HB2 TYR 33 HB2 TYR 33 25.698 7.152 32.902
275 HB3 TYR 33 HB3 TYR 33 24.959 8.726 32.628
276 HD1 TYR 33 HD1 TYR 33 27.991 7.083 32.759
277 HD2 TYR 33 HD2 TYR 33 26.140 10.657 34.138
278 HE1 TYR 33 HE1 TYR 33 30.201 8.146 32.954
279 HE2 TYR 33 HE2 TYR 33 28.344 11.730 34.335
280 HH TYR 33 HH TYR 33 31.181 10.103 34.386
281 H PHE 34 H PHE 34 22.882 9.212 33.515
282 HA PHE 34 HA PHE 34 23.043 11.558 35.288
283 HB2 PHE 34 HB2 PHE 34 21.873 11.453 32.502
284 HB3 PHE 34 HB3 PHE 34 22.136 12.889 33.486
285 HD1 PHE 34 HD1 PHE 34 24.252 13.950 33.578
286 HD2 PHE 34 HD2 PHE 34 23.804 10.226 31.565
287 HE1 PHE 34 HE1 PHE 34 26.488 14.221 32.588
288 HE2 PHE 34 HE2 PHE 34 26.040 10.491 30.572
289 HZ PHE 34 HZ PHE 34 27.385 12.489 31.084
290 H HIS 35 H HIS 35 21.694 9.520 36.360
291 HA HIS 35 HA HIS 35 19.057 9.060 35.770
292 HB2 HIS 35 HB2 HIS 35 20.055 7.835 37.549
293 HB3 HIS 35 HB3 HIS 35 20.432 9.304 38.445
294 HD1 HIS 35 HD1 HIS 35 18.972 9.512 40.414
295 HD2 HIS 35 HD2 HIS 35 16.975 7.789 37.204
296 HE1 HIS 35 HE1 HIS 35 16.633 9.081 41.230
Start of MODEL 8
1 H1 MET 1 H MET 1 7.524 4.758 1.007
2 HA MET 1 HA MET 1 6.311 3.878 3.486
3 HB2 MET 1 HB2 MET 1 5.343 5.819 2.477
4 HB3 MET 1 HB3 MET 1 5.173 5.005 0.928
5 HG2 MET 1 HG2 MET 1 3.029 5.168 1.989
6 HG3 MET 1 HG3 MET 1 3.530 3.480 1.935
7 HE1 MET 1 HE1 MET 1 1.602 5.189 5.310
8 HE2 MET 1 HE2 MET 1 2.509 6.460 4.490
9 HE3 MET 1 HE3 MET 1 1.457 5.389 3.564
10 H ASN 2 H ASN 2 5.860 3.026 0.047
11 HA ASN 2 HA ASN 2 5.423 0.243 0.881
12 HB2 ASN 2 HB2 ASN 2 3.535 -0.001 -0.578
13 HB3 ASN 2 HB3 ASN 2 3.240 1.409 0.435
14 HD21 ASN 2 HD21 ASN 2 3.299 3.458 -0.475
15 HD22 ASN 2 HD22 ASN 2 3.229 3.707 -2.184
16 H ILE 3 H ILE 3 6.642 -1.151 -0.209
17 HA ILE 3 HA ILE 3 8.041 -0.208 -2.603
18 HB ILE 3 HB ILE 3 8.610 -2.754 -1.099
19 HG12 ILE 3 HG12 ILE 3 9.794 -0.008 -0.635
20 HG13 ILE 3 HG13 ILE 3 8.745 -0.880 0.477
21 HG21 ILE 3 HG21 ILE 3 10.801 -1.314 -2.369
22 HG22 ILE 3 HG22 ILE 3 10.341 -3.012 -2.486
23 HG23 ILE 3 HG23 ILE 3 9.545 -1.811 -3.503
24 HD11 ILE 3 HD11 ILE 3 11.524 -1.659 -0.367
25 HD12 ILE 3 HD12 ILE 3 11.016 -1.062 1.214
26 HD13 ILE 3 HD13 ILE 3 10.468 -2.640 0.649
27 H THR 4 H THR 4 5.253 -1.026 -2.700
28 HA THR 4 HA THR 4 3.827 -2.499 -3.752
29 HB THR 4 HB THR 4 4.684 -1.141 -5.600
30 HG1 THR 4 HG1 THR 4 4.561 -3.838 -6.482
31 HG21 THR 4 HG21 THR 4 6.786 -3.296 -5.833
32 HG22 THR 4 HG22 THR 4 7.052 -1.601 -5.426
33 HG23 THR 4 HG23 THR 4 6.491 -2.044 -7.038
34 H SER 5 H SER 5 5.403 -3.910 -1.942
35 HA SER 5 HA SER 5 5.253 -6.544 -3.068
36 HB2 SER 5 HB2 SER 5 7.629 -5.404 -3.573
37 HB3 SER 5 HB3 SER 5 7.957 -6.010 -1.950
38 HG SER 5 HG SER 5 7.937 -7.364 -4.228
39 H GLN 6 H GLN 6 6.472 -8.080 -1.290
40 HA GLN 6 HA GLN 6 5.111 -7.404 1.207
41 HB2 GLN 6 HB2 GLN 6 6.219 -9.991 0.122
42 HB3 GLN 6 HB3 GLN 6 5.607 -9.828 1.762
43 HG2 GLN 6 HG2 GLN 6 3.468 -9.859 1.106
44 HG3 GLN 6 HG3 GLN 6 3.783 -8.871 -0.320
45 HE21 GLN 6 HE21 GLN 6 2.607 -10.117 -1.718
46 HE22 GLN 6 HE22 GLN 6 3.074 -11.712 -2.189
47 H MET 7 H MET 7 6.369 -8.623 3.150
48 HA MET 7 HA MET 7 8.947 -7.247 3.279
49 HB2 MET 7 HB2 MET 7 7.138 -8.397 5.402
50 HB3 MET 7 HB3 MET 7 8.751 -7.787 5.750
51 HG2 MET 7 HG2 MET 7 8.128 -5.583 5.008
52 HG3 MET 7 HG3 MET 7 6.543 -6.168 4.506
53 HE1 MET 7 HE1 MET 7 5.831 -3.863 7.615
54 HE2 MET 7 HE2 MET 7 6.791 -3.689 6.146
55 HE3 MET 7 HE3 MET 7 5.152 -4.335 6.057
56 H ASN 8 H ASN 8 10.855 -8.275 3.883
57 HA ASN 8 HA ASN 8 10.891 -11.147 3.342
58 HB2 ASN 8 HB2 ASN 8 12.452 -9.321 2.266
59 HB3 ASN 8 HB3 ASN 8 13.373 -9.524 3.753
60 HD21 ASN 8 HD21 ASN 8 14.921 -10.166 1.952
61 HD22 ASN 8 HD22 ASN 8 14.982 -11.849 1.569
62 H LYS 9 H LYS 9 12.710 -12.333 4.618
63 HA LYS 9 HA LYS 9 11.956 -12.225 7.386
64 HB2 LYS 9 HB2 LYS 9 12.368 -14.363 6.231
65 HB3 LYS 9 HB3 LYS 9 14.053 -13.911 6.004
66 HG2 LYS 9 HG2 LYS 9 14.178 -15.279 7.842
67 HG3 LYS 9 HG3 LYS 9 14.062 -13.687 8.596
68 HD2 LYS 9 HD2 LYS 9 11.555 -14.081 8.698
69 HD3 LYS 9 HD3 LYS 9 11.903 -15.759 8.276
70 HE2 LYS 9 HE2 LYS 9 11.739 -15.658 10.644
71 HE3 LYS 9 HE3 LYS 9 13.450 -15.829 10.254
72 HZ1 LYS 9 HZ1 LYS 9 12.753 -13.094 10.377
73 HZ2 LYS 9 HZ2 LYS 9 13.882 -13.945 11.306
74 HZ3 LYS 9 HZ3 LYS 9 12.267 -13.864 11.803
75 H THR 10 H THR 10 14.960 -11.665 5.574
76 HA THR 10 HA THR 10 16.649 -11.097 7.701
77 HB THR 10 HB THR 10 16.969 -9.434 5.260
78 HG1 THR 10 HG1 THR 10 17.158 -12.281 5.250
79 HG21 THR 10 HG21 THR 10 18.795 -11.268 6.818
80 HG22 THR 10 HG22 THR 10 18.725 -9.510 6.940
81 HG23 THR 10 HG23 THR 10 19.283 -10.269 5.450
82 H ILE 11 H ILE 11 14.390 -8.987 5.994
83 HA ILE 11 HA ILE 11 15.146 -6.534 7.061
84 HB ILE 11 HB ILE 11 12.331 -7.421 6.421
85 HG12 ILE 11 HG12 ILE 11 13.918 -7.769 4.551
86 HG13 ILE 11 HG13 ILE 11 12.726 -6.524 4.194
87 HG21 ILE 11 HG21 ILE 11 12.251 -4.866 5.845
88 HG22 ILE 11 HG22 ILE 11 12.021 -5.421 7.502
89 HG23 ILE 11 HG23 ILE 11 13.584 -4.780 6.997
90 HD11 ILE 11 HD11 ILE 11 14.327 -5.061 3.785
91 HD12 ILE 11 HD12 ILE 11 15.033 -5.327 5.380
92 HD13 ILE 11 HD13 ILE 11 15.514 -6.344 4.021
93 H ILE 12 H ILE 12 12.826 -8.907 8.330
94 HA ILE 12 HA ILE 12 12.006 -7.452 10.577
95 HB ILE 12 HB ILE 12 12.228 -10.456 10.376
96 HG12 ILE 12 HG12 ILE 12 9.968 -8.615 9.562
97 HG13 ILE 12 HG13 ILE 12 10.991 -9.539 8.468
98 HG21 ILE 12 HG21 ILE 12 10.356 -8.764 12.023
99 HG22 ILE 12 HG22 ILE 12 10.504 -10.521 12.046
100 HG23 ILE 12 HG23 ILE 12 11.827 -9.517 12.640
101 HD11 ILE 12 HD11 ILE 12 10.054 -11.513 10.044
102 HD12 ILE 12 HD12 ILE 12 8.696 -10.389 10.082
103 HD13 ILE 12 HD13 ILE 12 9.294 -10.997 8.539
104 H GLY 13 H GLY 13 14.617 -9.839 10.211
105 HA2 GLY 13 HA2 GLY 13 15.480 -10.011 12.827
106 HA3 GLY 13 HA3 GLY 13 16.538 -10.152 11.431
107 H VAL 14 H VAL 14 17.006 -7.892 10.397
108 HA VAL 14 HA VAL 14 18.624 -6.459 12.103
109 HB VAL 14 HB VAL 14 17.225 -5.347 9.667
110 HG11 VAL 14 HG11 VAL 14 19.281 -3.918 9.543
111 HG12 VAL 14 HG12 VAL 14 18.217 -3.569 10.907
112 HG13 VAL 14 HG13 VAL 14 19.699 -4.492 11.158
113 HG21 VAL 14 HG21 VAL 14 18.327 -7.347 9.009
114 HG22 VAL 14 HG22 VAL 14 19.363 -6.008 8.516
115 HG23 VAL 14 HG23 VAL 14 19.760 -6.946 9.955
116 H SER 15 H SER 15 15.256 -5.799 11.219
117 HA SER 15 HA SER 15 14.893 -3.346 12.419
118 HB2 SER 15 HB2 SER 15 13.243 -4.932 11.095
119 HB3 SER 15 HB3 SER 15 12.740 -5.399 12.719
120 HG SER 15 HG SER 15 11.607 -3.641 12.715
121 H VAL 16 H VAL 16 14.558 -6.554 13.913
122 HA VAL 16 HA VAL 16 13.857 -5.640 16.482
123 HB VAL 16 HB VAL 16 15.365 -8.187 15.910
124 HG11 VAL 16 HG11 VAL 16 15.078 -7.616 18.266
125 HG12 VAL 16 HG12 VAL 16 13.336 -7.466 18.023
126 HG13 VAL 16 HG13 VAL 16 14.123 -9.034 17.835
127 HG21 VAL 16 HG21 VAL 16 13.698 -8.688 14.498
128 HG22 VAL 16 HG22 VAL 16 12.727 -8.896 15.955
129 HG23 VAL 16 HG23 VAL 16 12.683 -7.367 15.076
130 H LEU 17 H LEU 17 16.995 -6.452 15.047
131 HA LEU 17 HA LEU 17 18.566 -6.156 17.340
132 HB2 LEU 17 HB2 LEU 17 19.253 -5.642 14.451
133 HB3 LEU 17 HB3 LEU 17 20.432 -5.735 15.758
134 HG LEU 17 HG LEU 17 18.643 -7.993 14.857
135 HD11 LEU 17 HD11 LEU 17 20.115 -8.100 13.170
136 HD12 LEU 17 HD12 LEU 17 21.199 -8.777 14.385
137 HD13 LEU 17 HD13 LEU 17 21.284 -7.061 13.987
138 HD21 LEU 17 HD21 LEU 17 20.695 -7.709 17.018
139 HD22 LEU 17 HD22 LEU 17 20.392 -9.274 16.264
140 HD23 LEU 17 HD23 LEU 17 19.086 -8.427 17.093
141 H SER 18 H SER 18 17.391 -3.782 15.021
142 HA SER 18 HA SER 18 18.928 -1.613 16.066
143 HB2 SER 18 HB2 SER 18 18.189 -1.452 13.793
144 HB3 SER 18 HB3 SER 18 16.508 -1.712 14.258
145 HG SER 18 HG SER 18 17.770 0.584 14.024
146 H VAL 19 H VAL 19 15.800 -2.996 16.754
147 HA VAL 19 HA VAL 19 14.725 -0.827 18.221
148 HB VAL 19 HB VAL 19 14.107 -3.778 18.417
149 HG11 VAL 19 HG11 VAL 19 12.701 -1.370 19.554
150 HG12 VAL 19 HG12 VAL 19 11.936 -2.951 19.384
151 HG13 VAL 19 HG13 VAL 19 13.348 -2.760 20.426
152 HG21 VAL 19 HG21 VAL 19 12.142 -2.020 17.180
153 HG22 VAL 19 HG22 VAL 19 13.676 -2.059 16.311
154 HG23 VAL 19 HG23 VAL 19 12.798 -3.558 16.618
155 H LEU 20 H LEU 20 16.262 -3.854 19.314
156 HA LEU 20 HA LEU 20 16.255 -3.222 22.051
157 HB2 LEU 20 HB2 LEU 20 18.093 -4.940 22.181
158 HB3 LEU 20 HB3 LEU 20 16.577 -5.474 21.459
159 HG LEU 20 HG LEU 20 18.008 -4.706 19.261
160 HD11 LEU 20 HD11 LEU 20 20.009 -6.283 20.788
161 HD12 LEU 20 HD12 LEU 20 19.943 -4.540 21.048
162 HD13 LEU 20 HD13 LEU 20 20.232 -5.179 19.430
163 HD21 LEU 20 HD21 LEU 20 16.780 -6.704 19.252
164 HD22 LEU 20 HD22 LEU 20 17.670 -7.360 20.626
165 HD23 LEU 20 HD23 LEU 20 18.460 -7.207 19.056
166 H VAL 21 H VAL 21 18.826 -2.893 19.613
167 HA VAL 21 HA VAL 21 20.862 -1.906 21.171
168 HB VAL 21 HB VAL 21 20.092 -1.243 18.338
169 HG11 VAL 21 HG11 VAL 21 22.515 -0.359 18.241
170 HG12 VAL 21 HG12 VAL 21 21.257 0.691 18.896
171 HG13 VAL 21 HG13 VAL 21 22.349 -0.164 19.985
172 HG21 VAL 21 HG21 VAL 21 21.258 -3.465 19.469
173 HG22 VAL 21 HG22 VAL 21 21.337 -3.009 17.767
174 HG23 VAL 21 HG23 VAL 21 22.639 -2.551 18.864
175 H VAL 22 H VAL 22 18.576 0.135 19.338
176 HA VAL 22 HA VAL 22 19.314 2.588 20.355
177 HB VAL 22 HB VAL 22 16.533 1.688 19.593
178 HG11 VAL 22 HG11 VAL 22 16.433 4.260 19.058
179 HG12 VAL 22 HG12 VAL 22 16.084 3.657 20.679
180 HG13 VAL 22 HG13 VAL 22 17.667 4.346 20.314
181 HG21 VAL 22 HG21 VAL 22 17.118 1.907 17.448
182 HG22 VAL 22 HG22 VAL 22 17.988 3.410 17.750
183 HG23 VAL 22 HG23 VAL 22 18.786 1.860 18.018
184 H SER 23 H SER 23 16.750 0.448 21.599
185 HA SER 23 HA SER 23 15.917 1.984 23.741
186 HB2 SER 23 HB2 SER 23 14.884 -0.172 22.923
187 HB3 SER 23 HB3 SER 23 16.150 -1.031 23.801
188 HG SER 23 HG SER 23 14.830 -0.866 25.425
189 H VAL 24 H VAL 24 18.457 -0.510 23.715
190 HA VAL 24 HA VAL 24 19.226 -0.404 26.364
191 HB VAL 24 HB VAL 24 21.015 -0.792 23.960
192 HG11 VAL 24 HG11 VAL 24 21.532 -0.826 26.845
193 HG12 VAL 24 HG12 VAL 24 22.111 -2.251 25.979
194 HG13 VAL 24 HG13 VAL 24 22.648 -0.642 25.492
195 HG21 VAL 24 HG21 VAL 24 18.907 -2.363 24.937
196 HG22 VAL 24 HG22 VAL 24 20.117 -2.813 23.734
197 HG23 VAL 24 HG23 VAL 24 20.391 -3.172 25.439
198 H VAL 25 H VAL 25 20.584 1.494 23.668
199 HA VAL 25 HA VAL 25 22.430 2.994 25.060
200 HB VAL 25 HB VAL 25 20.706 3.904 22.752
201 HG11 VAL 25 HG11 VAL 25 23.255 5.049 23.881
202 HG12 VAL 25 HG12 VAL 25 22.559 5.505 22.325
203 HG13 VAL 25 HG13 VAL 25 21.674 5.827 23.816
204 HG21 VAL 25 HG21 VAL 25 22.117 2.852 21.338
205 HG22 VAL 25 HG22 VAL 25 23.529 3.149 22.353
206 HG23 VAL 25 HG23 VAL 25 22.425 1.828 22.740
207 H ALA 26 H ALA 26 19.048 3.899 24.382
208 HA ALA 26 HA ALA 26 18.958 6.310 25.715
209 HB1 ALA 26 HB1 ALA 26 16.656 6.180 25.595
210 HB2 ALA 26 HB2 ALA 26 17.152 5.061 24.325
211 HB3 ALA 26 HB3 ALA 26 16.633 4.441 25.892
212 H VAL 27 H VAL 27 18.661 3.051 27.036
213 HA VAL 27 HA VAL 27 17.987 3.898 29.678
214 HB VAL 27 HB VAL 27 19.117 1.259 28.733
215 HG11 VAL 27 HG11 VAL 27 17.607 0.835 31.015
216 HG12 VAL 27 HG12 VAL 27 19.369 0.820 30.904
217 HG13 VAL 27 HG13 VAL 27 18.526 2.297 31.375
218 HG21 VAL 27 HG21 VAL 27 16.875 2.073 27.803
219 HG22 VAL 27 HG22 VAL 27 16.920 0.471 28.538
220 HG23 VAL 27 HG23 VAL 27 16.256 1.835 29.437
221 H LEU 28 H LEU 28 20.989 2.772 28.143
222 HA LEU 28 HA LEU 28 22.679 2.744 30.309
223 HB2 LEU 28 HB2 LEU 28 23.068 3.361 27.419
224 HB3 LEU 28 HB3 LEU 28 24.410 3.611 28.534
225 HG LEU 28 HG LEU 28 23.010 0.969 28.463
226 HD11 LEU 28 HD11 LEU 28 24.770 0.273 26.791
227 HD12 LEU 28 HD12 LEU 28 25.023 1.990 26.477
228 HD13 LEU 28 HD13 LEU 28 23.449 1.259 26.162
229 HD21 LEU 28 HD21 LEU 28 25.928 1.206 28.715
230 HD22 LEU 28 HD22 LEU 28 24.780 0.243 29.644
231 HD23 LEU 28 HD23 LEU 28 24.999 1.953 30.015
232 H VAL 29 H VAL 29 21.937 5.531 28.222
233 HA VAL 29 HA VAL 29 23.516 7.378 29.676
234 HB VAL 29 HB VAL 29 21.104 8.031 27.983
235 HG11 VAL 29 HG11 VAL 29 23.591 9.643 28.536
236 HG12 VAL 29 HG12 VAL 29 22.154 10.165 27.655
237 HG13 VAL 29 HG13 VAL 29 22.061 9.848 29.388
238 HG21 VAL 29 HG21 VAL 29 22.572 6.583 26.712
239 HG22 VAL 29 HG22 VAL 29 22.691 8.235 26.105
240 HG23 VAL 29 HG23 VAL 29 23.964 7.580 27.134
241 H TYR 30 H TYR 30 20.068 6.565 29.772
242 HA TYR 30 HA TYR 30 19.114 8.493 31.474
243 HB2 TYR 30 HB2 TYR 30 18.158 6.092 30.445
244 HB3 TYR 30 HB3 TYR 30 18.066 5.874 32.189
245 HD1 TYR 30 HD1 TYR 30 17.066 8.180 29.448
246 HD2 TYR 30 HD2 TYR 30 16.312 6.828 33.411
247 HE1 TYR 30 HE1 TYR 30 14.987 9.494 29.494
248 HE2 TYR 30 HE2 TYR 30 14.231 8.138 33.468
249 HH TYR 30 HH TYR 30 13.198 10.069 30.669
250 H LYS 31 H LYS 31 20.852 5.533 32.310
251 HA LYS 31 HA LYS 31 20.716 6.129 35.147
252 HB2 LYS 31 HB2 LYS 31 22.350 3.951 33.858
253 HB3 LYS 31 HB3 LYS 31 21.726 4.015 35.502
254 HG2 LYS 31 HG2 LYS 31 19.501 3.634 34.759
255 HG3 LYS 31 HG3 LYS 31 19.965 3.850 33.070
256 HD2 LYS 31 HD2 LYS 31 20.550 1.708 32.886
257 HD3 LYS 31 HD3 LYS 31 21.562 1.801 34.329
258 HE2 LYS 31 HE2 LYS 31 19.763 0.125 34.529
259 HE3 LYS 31 HE3 LYS 31 19.648 1.397 35.745
260 HZ1 LYS 31 HZ1 LYS 31 17.616 1.861 35.043
261 HZ2 LYS 31 HZ2 LYS 31 17.701 0.593 33.927
262 HZ3 LYS 31 HZ3 LYS 31 18.173 2.152 33.472
263 H PHE 32 H PHE 32 23.279 5.737 32.702
264 HA PHE 32 HA PHE 32 25.473 6.382 34.230
265 HB2 PHE 32 HB2 PHE 32 24.818 6.715 31.334
266 HB3 PHE 32 HB3 PHE 32 26.291 7.452 31.955
267 HD1 PHE 32 HD1 PHE 32 24.629 4.209 32.728
268 HD2 PHE 32 HD2 PHE 32 28.077 6.200 31.226
269 HE1 PHE 32 HE1 PHE 32 25.787 2.047 32.532
270 HE2 PHE 32 HE2 PHE 32 29.241 4.041 31.026
271 HZ PHE 32 HZ PHE 32 28.095 1.961 31.678
272 H TYR 33 H TYR 33 22.936 8.450 33.130
273 HA TYR 33 HA TYR 33 24.429 10.815 34.047
274 HB2 TYR 33 HB2 TYR 33 22.170 10.503 32.079
275 HB3 TYR 33 HB3 TYR 33 22.570 12.064 32.787
276 HD1 TYR 33 HD1 TYR 33 23.873 13.429 31.475
277 HD2 TYR 33 HD2 TYR 33 24.417 9.218 31.204
278 HE1 TYR 33 HE1 TYR 33 25.602 13.768 29.759
279 HE2 TYR 33 HE2 TYR 33 26.148 9.546 29.488
280 HH TYR 33 HH TYR 33 26.536 12.159 27.744
281 H PHE 34 H PHE 34 21.123 9.480 34.004
282 HA PHE 34 HA PHE 34 20.599 10.909 36.522
283 HB2 PHE 34 HB2 PHE 34 18.526 9.695 34.696
284 HB3 PHE 34 HB3 PHE 34 18.277 10.867 35.986
285 HD1 PHE 34 HD1 PHE 34 18.548 13.190 35.610
286 HD2 PHE 34 HD2 PHE 34 19.624 10.389 32.592
287 HE1 PHE 34 HE1 PHE 34 18.746 15.025 33.983
288 HE2 PHE 34 HE2 PHE 34 19.825 12.219 30.960
289 HZ PHE 34 HZ PHE 34 19.387 14.541 31.655
290 H HIS 35 H HIS 35 22.102 8.675 36.817
291 HA HIS 35 HA HIS 35 20.922 6.212 37.080
292 HB2 HIS 35 HB2 HIS 35 23.352 7.226 37.726
293 HB3 HIS 35 HB3 HIS 35 22.675 6.978 39.333
294 HD1 HIS 35 HD1 HIS 35 25.066 5.332 38.014
295 HD2 HIS 35 HD2 HIS 35 21.116 4.096 38.377
296 HE1 HIS 35 HE1 HIS 35 25.138 2.820 37.937
Start of MODEL 9
1 H1 MET 1 H MET 1 9.818 1.732 2.066
2 HA MET 1 HA MET 1 8.111 0.701 4.232
3 HB2 MET 1 HB2 MET 1 6.258 2.077 3.327
4 HB3 MET 1 HB3 MET 1 7.586 3.044 3.954
5 HG2 MET 1 HG2 MET 1 7.332 4.164 2.031
6 HG3 MET 1 HG3 MET 1 8.322 2.861 1.378
7 HE1 MET 1 HE1 MET 1 5.369 4.614 -0.466
8 HE2 MET 1 HE2 MET 1 7.125 4.496 -0.351
9 HE3 MET 1 HE3 MET 1 6.247 3.495 -1.509
10 H ASN 2 H ASN 2 6.672 -0.881 3.693
11 HA ASN 2 HA ASN 2 6.529 -1.670 0.862
12 HB2 ASN 2 HB2 ASN 2 6.573 -3.727 3.051
13 HB3 ASN 2 HB3 ASN 2 6.931 -3.925 1.338
14 HD21 ASN 2 HD21 ASN 2 8.935 -3.211 0.539
15 HD22 ASN 2 HD22 ASN 2 10.290 -2.990 1.588
16 H ILE 3 H ILE 3 4.549 -0.192 1.519
17 HA ILE 3 HA ILE 3 2.434 -1.077 3.040
18 HB ILE 3 HB ILE 3 2.230 0.330 0.375
19 HG12 ILE 3 HG12 ILE 3 2.443 1.444 3.181
20 HG13 ILE 3 HG13 ILE 3 3.700 1.508 1.951
21 HG21 ILE 3 HG21 ILE 3 0.100 -0.590 1.092
22 HG22 ILE 3 HG22 ILE 3 0.286 0.165 2.673
23 HG23 ILE 3 HG23 ILE 3 0.089 1.167 1.235
24 HD11 ILE 3 HD11 ILE 3 2.873 3.540 1.542
25 HD12 ILE 3 HD12 ILE 3 1.624 2.671 0.650
26 HD13 ILE 3 HD13 ILE 3 1.329 3.178 2.313
27 H THR 4 H THR 4 2.853 -1.653 -0.457
28 HA THR 4 HA THR 4 1.133 -4.031 -0.169
29 HB THR 4 HB THR 4 1.029 -3.563 -2.828
30 HG1 THR 4 HG1 THR 4 1.800 -1.610 -3.145
31 HG21 THR 4 HG21 THR 4 -0.728 -2.349 -0.693
32 HG22 THR 4 HG22 THR 4 -0.910 -3.937 -1.439
33 HG23 THR 4 HG23 THR 4 -1.165 -2.479 -2.396
34 H SER 5 H SER 5 4.170 -2.779 -1.219
35 HA SER 5 HA SER 5 4.896 -4.986 -2.890
36 HB2 SER 5 HB2 SER 5 5.933 -2.781 -3.180
37 HB3 SER 5 HB3 SER 5 6.630 -2.887 -1.563
38 HG SER 5 HG SER 5 8.146 -4.145 -2.307
39 H GLN 6 H GLN 6 6.904 -6.291 -2.377
40 HA GLN 6 HA GLN 6 6.809 -7.174 0.433
41 HB2 GLN 6 HB2 GLN 6 7.271 -8.811 -2.065
42 HB3 GLN 6 HB3 GLN 6 7.437 -9.429 -0.427
43 HG2 GLN 6 HG2 GLN 6 4.878 -8.168 -1.309
44 HG3 GLN 6 HG3 GLN 6 5.246 -9.839 -1.734
45 HE21 GLN 6 HE21 GLN 6 3.067 -9.333 -0.230
46 HE22 GLN 6 HE22 GLN 6 3.315 -9.860 1.396
47 H MET 7 H MET 7 8.772 -7.971 1.355
48 HA MET 7 HA MET 7 11.249 -7.519 -0.084
49 HB2 MET 7 HB2 MET 7 10.289 -5.389 1.274
50 HB3 MET 7 HB3 MET 7 11.192 -6.184 2.556
51 HG2 MET 7 HG2 MET 7 12.627 -4.595 1.540
52 HG3 MET 7 HG3 MET 7 13.177 -6.197 1.057
53 HE1 MET 7 HE1 MET 7 13.731 -3.127 -0.553
54 HE2 MET 7 HE2 MET 7 12.349 -2.748 -1.580
55 HE3 MET 7 HE3 MET 7 12.155 -2.808 0.173
56 H ASN 8 H ASN 8 13.158 -8.182 1.234
57 HA ASN 8 HA ASN 8 12.771 -10.731 2.330
58 HB2 ASN 8 HB2 ASN 8 15.073 -8.817 2.240
59 HB3 ASN 8 HB3 ASN 8 15.191 -10.258 3.246
60 HD21 ASN 8 HD21 ASN 8 15.545 -8.990 0.161
61 HD22 ASN 8 HD22 ASN 8 15.746 -10.472 -0.703
62 H LYS 9 H LYS 9 11.636 -11.082 4.129
63 HA LYS 9 HA LYS 9 11.249 -9.273 6.225
64 HB2 LYS 9 HB2 LYS 9 10.041 -11.532 5.583
65 HB3 LYS 9 HB3 LYS 9 11.166 -12.214 6.750
66 HG2 LYS 9 HG2 LYS 9 9.228 -11.771 7.973
67 HG3 LYS 9 HG3 LYS 9 10.317 -10.437 8.364
68 HD2 LYS 9 HD2 LYS 9 9.164 -9.112 6.561
69 HD3 LYS 9 HD3 LYS 9 7.976 -10.413 6.467
70 HE2 LYS 9 HE2 LYS 9 7.208 -8.579 7.899
71 HE3 LYS 9 HE3 LYS 9 7.396 -10.080 8.803
72 HZ1 LYS 9 HZ1 LYS 9 9.076 -9.241 10.020
73 HZ2 LYS 9 HZ2 LYS 9 8.374 -7.756 9.620
74 HZ3 LYS 9 HZ3 LYS 9 9.709 -8.321 8.750
75 H THR 10 H THR 10 13.839 -11.477 5.572
76 HA THR 10 HA THR 10 14.916 -11.848 8.111
77 HB THR 10 HB THR 10 16.839 -11.414 5.891
78 HG1 THR 10 HG1 THR 10 14.894 -13.501 5.881
79 HG21 THR 10 HG21 THR 10 17.575 -12.367 8.006
80 HG22 THR 10 HG22 THR 10 17.708 -13.568 6.721
81 HG23 THR 10 HG23 THR 10 16.372 -13.648 7.869
82 H ILE 11 H ILE 11 15.823 -9.368 5.709
83 HA ILE 11 HA ILE 11 17.631 -7.961 7.271
84 HB ILE 11 HB ILE 11 15.751 -6.789 5.218
85 HG12 ILE 11 HG12 ILE 11 18.575 -7.778 4.805
86 HG13 ILE 11 HG13 ILE 11 17.155 -8.765 4.478
87 HG21 ILE 11 HG21 ILE 11 17.866 -5.661 6.847
88 HG22 ILE 11 HG22 ILE 11 18.169 -5.448 5.123
89 HG23 ILE 11 HG23 ILE 11 16.668 -4.855 5.834
90 HD11 ILE 11 HD11 ILE 11 16.533 -7.498 2.661
91 HD12 ILE 11 HD12 ILE 11 17.418 -6.077 3.216
92 HD13 ILE 11 HD13 ILE 11 18.292 -7.459 2.556
93 H ILE 12 H ILE 12 14.116 -7.625 7.059
94 HA ILE 12 HA ILE 12 13.819 -5.325 8.615
95 HB ILE 12 HB ILE 12 11.929 -7.674 8.422
96 HG12 ILE 12 HG12 ILE 12 12.449 -6.764 6.224
97 HG13 ILE 12 HG13 ILE 12 10.810 -6.312 6.681
98 HG21 ILE 12 HG21 ILE 12 11.427 -6.222 10.317
99 HG22 ILE 12 HG22 ILE 12 11.420 -4.819 9.249
100 HG23 ILE 12 HG23 ILE 12 10.196 -6.075 9.063
101 HD11 ILE 12 HD11 ILE 12 11.678 -4.096 7.372
102 HD12 ILE 12 HD12 ILE 12 13.256 -4.567 6.739
103 HD13 ILE 12 HD13 ILE 12 11.873 -4.439 5.653
104 H GLY 13 H GLY 13 13.775 -8.748 9.599
105 HA2 GLY 13 HA2 GLY 13 13.245 -8.453 12.293
106 HA3 GLY 13 HA3 GLY 13 14.251 -9.728 11.622
107 H VAL 14 H VAL 14 16.536 -8.856 10.975
108 HA VAL 14 HA VAL 14 17.940 -8.275 13.271
109 HB VAL 14 HB VAL 14 18.790 -7.496 10.479
110 HG11 VAL 14 HG11 VAL 14 20.129 -6.581 12.383
111 HG12 VAL 14 HG12 VAL 14 20.492 -8.244 12.850
112 HG13 VAL 14 HG13 VAL 14 21.033 -7.627 11.288
113 HG21 VAL 14 HG21 VAL 14 18.264 -10.073 11.610
114 HG22 VAL 14 HG22 VAL 14 18.805 -9.662 9.983
115 HG23 VAL 14 HG23 VAL 14 19.987 -9.917 11.267
116 H SER 15 H SER 15 16.768 -6.015 10.802
117 HA SER 15 HA SER 15 17.921 -3.673 11.676
118 HB2 SER 15 HB2 SER 15 16.299 -4.165 9.672
119 HB3 SER 15 HB3 SER 15 15.050 -3.652 10.807
120 HG SER 15 HG SER 15 15.926 -1.932 9.509
121 H VAL 16 H VAL 16 14.866 -5.118 12.777
122 HA VAL 16 HA VAL 16 14.211 -3.110 14.638
123 HB VAL 16 HB VAL 16 13.455 -6.017 14.896
124 HG11 VAL 16 HG11 VAL 16 11.315 -4.886 15.743
125 HG12 VAL 16 HG12 VAL 16 12.730 -4.867 16.797
126 HG13 VAL 16 HG13 VAL 16 12.298 -3.428 15.873
127 HG21 VAL 16 HG21 VAL 16 11.367 -4.804 13.600
128 HG22 VAL 16 HG22 VAL 16 12.773 -4.084 12.816
129 HG23 VAL 16 HG23 VAL 16 12.579 -5.837 12.843
130 H LEU 17 H LEU 17 15.931 -6.193 15.019
131 HA LEU 17 HA LEU 17 16.269 -6.226 17.754
132 HB2 LEU 17 HB2 LEU 17 17.969 -7.193 15.489
133 HB3 LEU 17 HB3 LEU 17 18.530 -7.350 17.153
134 HG LEU 17 HG LEU 17 15.974 -8.538 16.076
135 HD11 LEU 17 HD11 LEU 17 17.042 -10.529 15.739
136 HD12 LEU 17 HD12 LEU 17 18.326 -10.166 16.892
137 HD13 LEU 17 HD13 LEU 17 18.332 -9.409 15.299
138 HD21 LEU 17 HD21 LEU 17 17.105 -9.664 18.497
139 HD22 LEU 17 HD22 LEU 17 15.462 -9.113 18.166
140 HD23 LEU 17 HD23 LEU 17 16.692 -7.960 18.684
141 H SER 18 H SER 18 18.438 -4.745 15.347
142 HA SER 18 HA SER 18 20.290 -3.693 17.162
143 HB2 SER 18 HB2 SER 18 19.914 -3.653 14.377
144 HB3 SER 18 HB3 SER 18 19.970 -1.961 14.870
145 HG SER 18 HG SER 18 21.900 -3.963 15.441
146 H VAL 19 H VAL 19 17.329 -2.302 15.812
147 HA VAL 19 HA VAL 19 17.528 0.288 16.765
148 HB VAL 19 HB VAL 19 15.036 -1.404 16.527
149 HG11 VAL 19 HG11 VAL 19 14.448 0.425 17.889
150 HG12 VAL 19 HG12 VAL 19 15.422 1.549 16.939
151 HG13 VAL 19 HG13 VAL 19 13.940 0.873 16.260
152 HG21 VAL 19 HG21 VAL 19 15.138 -1.099 14.325
153 HG22 VAL 19 HG22 VAL 19 15.433 0.630 14.513
154 HG23 VAL 19 HG23 VAL 19 16.783 -0.504 14.556
155 H LEU 20 H LEU 20 15.728 -2.357 18.352
156 HA LEU 20 HA LEU 20 15.145 -1.074 20.722
157 HB2 LEU 20 HB2 LEU 20 15.626 -3.949 20.042
158 HB3 LEU 20 HB3 LEU 20 15.294 -3.468 21.704
159 HG LEU 20 HG LEU 20 13.351 -4.314 20.239
160 HD11 LEU 20 HD11 LEU 20 13.023 -3.353 22.429
161 HD12 LEU 20 HD12 LEU 20 11.796 -2.739 21.322
162 HD13 LEU 20 HD13 LEU 20 13.166 -1.723 21.769
163 HD21 LEU 20 HD21 LEU 20 13.541 -1.473 19.244
164 HD22 LEU 20 HD22 LEU 20 12.246 -2.619 18.899
165 HD23 LEU 20 HD23 LEU 20 13.873 -2.916 18.287
166 H VAL 21 H VAL 21 18.060 -2.901 19.874
167 HA VAL 21 HA VAL 21 19.351 -2.919 22.319
168 HB VAL 21 HB VAL 21 20.580 -2.603 19.578
169 HG11 VAL 21 HG11 VAL 21 22.338 -2.021 20.941
170 HG12 VAL 21 HG12 VAL 21 21.776 -3.026 22.278
171 HG13 VAL 21 HG13 VAL 21 22.531 -3.772 20.869
172 HG21 VAL 21 HG21 VAL 21 19.110 -4.688 20.503
173 HG22 VAL 21 HG22 VAL 21 20.391 -4.827 19.299
174 HG23 VAL 21 HG23 VAL 21 20.734 -5.171 20.994
175 H VAL 22 H VAL 22 20.026 -0.569 19.718
176 HA VAL 22 HA VAL 22 21.566 1.190 21.186
177 HB VAL 22 HB VAL 22 19.659 1.870 18.943
178 HG11 VAL 22 HG11 VAL 22 21.896 3.421 20.221
179 HG12 VAL 22 HG12 VAL 22 21.293 3.779 18.602
180 HG13 VAL 22 HG13 VAL 22 20.217 3.908 19.993
181 HG21 VAL 22 HG21 VAL 22 21.059 0.510 17.820
182 HG22 VAL 22 HG22 VAL 22 22.139 1.905 17.861
183 HG23 VAL 22 HG23 VAL 22 22.318 0.616 19.051
184 H SER 23 H SER 23 18.055 1.382 20.607
185 HA SER 23 HA SER 23 17.494 3.671 22.037
186 HB2 SER 23 HB2 SER 23 15.842 2.447 20.658
187 HB3 SER 23 HB3 SER 23 15.770 1.185 21.888
188 HG SER 23 HG SER 23 14.943 3.883 22.093
189 H VAL 24 H VAL 24 17.171 0.347 23.299
190 HA VAL 24 HA VAL 24 16.672 0.972 25.942
191 HB VAL 24 HB VAL 24 18.234 -1.388 24.883
192 HG11 VAL 24 HG11 VAL 24 16.877 -2.136 27.189
193 HG12 VAL 24 HG12 VAL 24 18.615 -1.879 27.021
194 HG13 VAL 24 HG13 VAL 24 17.578 -0.565 27.577
195 HG21 VAL 24 HG21 VAL 24 16.243 -2.502 24.580
196 HG22 VAL 24 HG22 VAL 24 15.372 -1.482 25.724
197 HG23 VAL 24 HG23 VAL 24 15.785 -0.860 24.127
198 H VAL 25 H VAL 25 19.846 0.237 24.491
199 HA VAL 25 HA VAL 25 21.445 0.601 26.704
200 HB VAL 25 HB VAL 25 22.078 1.342 23.845
201 HG11 VAL 25 HG11 VAL 25 23.655 2.436 25.278
202 HG12 VAL 25 HG12 VAL 25 23.883 0.968 26.230
203 HG13 VAL 25 HG13 VAL 25 24.446 1.034 24.559
204 HG21 VAL 25 HG21 VAL 25 22.524 -0.823 23.438
205 HG22 VAL 25 HG22 VAL 25 23.213 -1.089 25.039
206 HG23 VAL 25 HG23 VAL 25 21.464 -1.118 24.816
207 H ALA 26 H ALA 26 20.565 3.078 24.296
208 HA ALA 26 HA ALA 26 21.858 5.250 25.397
209 HB1 ALA 26 HB1 ALA 26 20.970 5.944 23.460
210 HB2 ALA 26 HB2 ALA 26 19.585 4.859 23.591
211 HB3 ALA 26 HB3 ALA 26 19.582 6.401 24.447
212 H VAL 27 H VAL 27 18.741 3.855 26.288
213 HA VAL 27 HA VAL 27 18.050 5.915 28.139
214 HB VAL 27 HB VAL 27 17.003 3.085 27.979
215 HG11 VAL 27 HG11 VAL 27 14.975 4.234 29.048
216 HG12 VAL 27 HG12 VAL 27 16.369 3.897 30.077
217 HG13 VAL 27 HG13 VAL 27 16.097 5.529 29.464
218 HG21 VAL 27 HG21 VAL 27 15.131 4.941 26.993
219 HG22 VAL 27 HG22 VAL 27 16.671 5.322 26.222
220 HG23 VAL 27 HG23 VAL 27 15.998 3.697 26.094
221 H LEU 28 H LEU 28 19.375 2.636 28.487
222 HA LEU 28 HA LEU 28 19.468 2.421 31.224
223 HB2 LEU 28 HB2 LEU 28 21.303 1.431 29.073
224 HB3 LEU 28 HB3 LEU 28 21.640 1.097 30.771
225 HG LEU 28 HG LEU 28 18.985 0.365 29.600
226 HD11 LEU 28 HD11 LEU 28 20.179 -1.955 29.338
227 HD12 LEU 28 HD12 LEU 28 21.610 -0.951 29.101
228 HD13 LEU 28 HD13 LEU 28 20.217 -0.766 28.035
229 HD21 LEU 28 HD21 LEU 28 19.004 0.067 31.904
230 HD22 LEU 28 HD22 LEU 28 20.680 -0.483 31.921
231 HD23 LEU 28 HD23 LEU 28 19.411 -1.536 31.292
232 H VAL 29 H VAL 29 21.951 3.856 29.115
233 HA VAL 29 HA VAL 29 23.669 4.643 31.223
234 HB VAL 29 HB VAL 29 23.485 5.919 28.495
235 HG11 VAL 29 HG11 VAL 29 25.814 6.469 28.832
236 HG12 VAL 29 HG12 VAL 29 24.860 7.092 30.180
237 HG13 VAL 29 HG13 VAL 29 25.820 5.625 30.381
238 HG21 VAL 29 HG21 VAL 29 25.179 4.275 27.795
239 HG22 VAL 29 HG22 VAL 29 25.007 3.457 29.348
240 HG23 VAL 29 HG23 VAL 29 23.648 3.513 28.226
241 H TYR 30 H TYR 30 21.159 6.359 29.402
242 HA TYR 30 HA TYR 30 21.484 8.919 30.332
243 HB2 TYR 30 HB2 TYR 30 19.528 7.550 28.908
244 HB3 TYR 30 HB3 TYR 30 18.671 8.171 30.315
245 HD1 TYR 30 HD1 TYR 30 20.860 9.200 27.494
246 HD2 TYR 30 HD2 TYR 30 18.022 10.423 30.419
247 HE1 TYR 30 HE1 TYR 30 20.716 11.409 26.422
248 HE2 TYR 30 HE2 TYR 30 17.870 12.635 29.354
249 HH TYR 30 HH TYR 30 19.948 13.930 27.501
250 H LYS 31 H LYS 31 19.865 6.220 31.938
251 HA LYS 31 HA LYS 31 19.205 7.851 34.245
252 HB2 LYS 31 HB2 LYS 31 18.903 4.862 34.031
253 HB3 LYS 31 HB3 LYS 31 18.012 5.974 35.062
254 HG2 LYS 31 HG2 LYS 31 16.799 6.845 33.215
255 HG3 LYS 31 HG3 LYS 31 17.834 6.002 32.060
256 HD2 LYS 31 HD2 LYS 31 16.057 4.568 32.089
257 HD3 LYS 31 HD3 LYS 31 17.001 3.885 33.415
258 HE2 LYS 31 HE2 LYS 31 15.615 5.598 34.849
259 HE3 LYS 31 HE3 LYS 31 14.493 5.495 33.493
260 HZ1 LYS 31 HZ1 LYS 31 13.765 3.840 34.905
261 HZ2 LYS 31 HZ2 LYS 31 15.325 3.381 35.369
262 HZ3 LYS 31 HZ3 LYS 31 14.745 2.972 33.834
263 H PHE 32 H PHE 32 21.183 4.959 33.597
264 HA PHE 32 HA PHE 32 22.292 4.594 36.088
265 HB2 PHE 32 HB2 PHE 32 23.255 4.053 33.312
266 HB3 PHE 32 HB3 PHE 32 24.380 3.842 34.649
267 HD1 PHE 32 HD1 PHE 32 20.741 3.108 34.333
268 HD2 PHE 32 HD2 PHE 32 24.659 1.587 35.000
269 HE1 PHE 32 HE1 PHE 32 19.797 0.878 34.769
270 HE2 PHE 32 HE2 PHE 32 23.722 -0.646 35.435
271 HZ PHE 32 HZ PHE 32 21.288 -1.003 35.320
272 H TYR 33 H TYR 33 22.899 7.119 33.812
273 HA TYR 33 HA TYR 33 25.161 8.076 35.437
274 HB2 TYR 33 HB2 TYR 33 24.434 8.515 32.547
275 HB3 TYR 33 HB3 TYR 33 25.570 9.568 33.383
276 HD1 TYR 33 HD1 TYR 33 27.790 9.092 33.021
277 HD2 TYR 33 HD2 TYR 33 24.995 5.884 33.035
278 HE1 TYR 33 HE1 TYR 33 29.612 7.511 32.544
279 HE2 TYR 33 HE2 TYR 33 26.809 4.293 32.560
280 HH TYR 33 HH TYR 33 29.699 4.588 33.082
281 H PHE 34 H PHE 34 22.386 9.306 33.565
282 HA PHE 34 HA PHE 34 22.264 11.599 35.403
283 HB2 PHE 34 HB2 PHE 34 20.885 11.395 32.728
284 HB3 PHE 34 HB3 PHE 34 21.189 12.843 33.682
285 HD1 PHE 34 HD1 PHE 34 22.747 10.269 31.560
286 HD2 PHE 34 HD2 PHE 34 23.254 14.001 33.543
287 HE1 PHE 34 HE1 PHE 34 24.837 10.642 30.317
288 HE2 PHE 34 HE2 PHE 34 25.344 14.380 32.303
289 HZ PHE 34 HZ PHE 34 26.138 12.700 30.686
290 H HIS 35 H HIS 35 21.271 9.301 36.440
291 HA HIS 35 HA HIS 35 18.670 8.560 35.978
292 HB2 HIS 35 HB2 HIS 35 20.511 7.927 37.864
293 HB3 HIS 35 HB3 HIS 35 19.372 8.856 38.834
294 HD1 HIS 35 HD1 HIS 35 19.712 5.881 39.384
295 HD2 HIS 35 HD2 HIS 35 16.873 7.423 36.771
296 HE1 HIS 35 HE1 HIS 35 17.916 4.127 39.231
Start of MODEL 10
1 H1 MET 1 H MET 1 4.069 3.695 -1.654
2 HA MET 1 HA MET 1 5.861 1.951 -3.079
3 HB2 MET 1 HB2 MET 1 6.165 4.523 -1.568
4 HB3 MET 1 HB3 MET 1 7.588 3.594 -2.018
5 HG2 MET 1 HG2 MET 1 7.423 5.020 -3.791
6 HG3 MET 1 HG3 MET 1 6.511 3.637 -4.392
7 HE1 MET 1 HE1 MET 1 5.233 4.228 -5.925
8 HE2 MET 1 HE2 MET 1 3.580 4.303 -5.314
9 HE3 MET 1 HE3 MET 1 4.281 5.697 -6.138
10 H ASN 2 H ASN 2 6.933 0.275 -2.269
11 HA ASN 2 HA ASN 2 6.693 -0.393 0.517
12 HB2 ASN 2 HB2 ASN 2 7.911 -1.732 -1.880
13 HB3 ASN 2 HB3 ASN 2 8.232 -2.344 -0.260
14 HD21 ASN 2 HD21 ASN 2 7.117 -4.151 -1.630
15 HD22 ASN 2 HD22 ASN 2 5.415 -4.295 -1.369
16 H ILE 3 H ILE 3 7.912 1.835 0.816
17 HA ILE 3 HA ILE 3 10.622 2.142 0.448
18 HB ILE 3 HB ILE 3 9.059 3.001 2.886
19 HG12 ILE 3 HG12 ILE 3 9.587 4.439 0.275
20 HG13 ILE 3 HG13 ILE 3 8.039 3.779 0.791
21 HG21 ILE 3 HG21 ILE 3 10.764 4.730 3.120
22 HG22 ILE 3 HG22 ILE 3 11.475 3.120 3.211
23 HG23 ILE 3 HG23 ILE 3 11.632 4.071 1.734
24 HD11 ILE 3 HD11 ILE 3 8.381 5.351 2.841
25 HD12 ILE 3 HD12 ILE 3 9.486 6.193 1.753
26 HD13 ILE 3 HD13 ILE 3 7.791 5.993 1.309
27 H THR 4 H THR 4 9.065 0.814 3.372
28 HA THR 4 HA THR 4 11.585 -0.606 3.945
29 HB THR 4 HB THR 4 10.351 -0.630 6.349
30 HG1 THR 4 HG1 THR 4 9.528 1.544 6.633
31 HG21 THR 4 HG21 THR 4 11.818 1.286 6.949
32 HG22 THR 4 HG22 THR 4 12.130 1.538 5.231
33 HG23 THR 4 HG23 THR 4 12.644 0.043 6.011
34 H SER 5 H SER 5 8.181 -0.854 3.464
35 HA SER 5 HA SER 5 7.585 -3.255 4.737
36 HB2 SER 5 HB2 SER 5 6.452 -1.756 2.431
37 HB3 SER 5 HB3 SER 5 5.971 -3.444 2.606
38 HG SER 5 HG SER 5 4.704 -1.712 3.743
39 H GLN 6 H GLN 6 8.534 -5.162 4.532
40 HA GLN 6 HA GLN 6 9.227 -6.119 1.848
41 HB2 GLN 6 HB2 GLN 6 11.034 -5.967 4.240
42 HB3 GLN 6 HB3 GLN 6 11.279 -7.204 3.015
43 HG2 GLN 6 HG2 GLN 6 11.093 -4.307 2.286
44 HG3 GLN 6 HG3 GLN 6 12.608 -5.028 2.829
45 HE21 GLN 6 HE21 GLN 6 13.881 -5.635 1.247
46 HE22 GLN 6 HE22 GLN 6 13.386 -6.196 -0.310
47 H MET 7 H MET 7 9.392 -8.444 1.682
48 HA MET 7 HA MET 7 7.874 -9.832 3.793
49 HB2 MET 7 HB2 MET 7 6.635 -9.556 1.655
50 HB3 MET 7 HB3 MET 7 7.900 -10.463 0.836
51 HG2 MET 7 HG2 MET 7 7.382 -12.435 2.103
52 HG3 MET 7 HG3 MET 7 6.222 -11.543 3.086
53 HE1 MET 7 HE1 MET 7 3.700 -12.624 2.521
54 HE2 MET 7 HE2 MET 7 4.061 -10.898 2.568
55 HE3 MET 7 HE3 MET 7 3.052 -11.554 1.277
56 H ASN 8 H ASN 8 10.789 -9.662 2.088
57 HA ASN 8 HA ASN 8 11.523 -12.418 2.172
58 HB2 ASN 8 HB2 ASN 8 13.041 -9.857 1.733
59 HB3 ASN 8 HB3 ASN 8 13.882 -11.398 1.874
60 HD21 ASN 8 HD21 ASN 8 13.377 -13.059 0.342
61 HD22 ASN 8 HD22 ASN 8 12.818 -12.635 -1.237
62 H LYS 9 H LYS 9 13.885 -12.718 3.307
63 HA LYS 9 HA LYS 9 13.340 -12.989 6.042
64 HB2 LYS 9 HB2 LYS 9 15.057 -14.239 4.596
65 HB3 LYS 9 HB3 LYS 9 16.123 -12.873 4.897
66 HG2 LYS 9 HG2 LYS 9 16.699 -14.495 6.491
67 HG3 LYS 9 HG3 LYS 9 15.745 -13.293 7.363
68 HD2 LYS 9 HD2 LYS 9 14.883 -15.333 8.102
69 HD3 LYS 9 HD3 LYS 9 13.739 -14.822 6.858
70 HE2 LYS 9 HE2 LYS 9 14.083 -17.028 6.291
71 HE3 LYS 9 HE3 LYS 9 15.273 -16.215 5.275
72 HZ1 LYS 9 HZ1 LYS 9 15.814 -18.265 6.926
73 HZ2 LYS 9 HZ2 LYS 9 16.242 -16.945 7.893
74 HZ3 LYS 9 HZ3 LYS 9 16.962 -17.150 6.377
75 H THR 10 H THR 10 14.453 -10.304 4.241
76 HA THR 10 HA THR 10 16.047 -8.894 5.983
77 HB THR 10 HB THR 10 13.918 -7.349 4.587
78 HG1 THR 10 HG1 THR 10 15.847 -8.998 3.303
79 HG21 THR 10 HG21 THR 10 16.927 -7.130 4.753
80 HG22 THR 10 HG22 THR 10 15.753 -6.175 5.659
81 HG23 THR 10 HG23 THR 10 15.873 -5.997 3.909
82 H ILE 11 H ILE 11 12.604 -9.452 6.151
83 HA ILE 11 HA ILE 11 11.759 -7.468 7.865
84 HB ILE 11 HB ILE 11 10.906 -10.365 7.941
85 HG12 ILE 11 HG12 ILE 11 9.599 -8.081 6.461
86 HG13 ILE 11 HG13 ILE 11 10.768 -9.160 5.707
87 HG21 ILE 11 HG21 ILE 11 9.616 -7.856 8.992
88 HG22 ILE 11 HG22 ILE 11 8.766 -9.388 8.802
89 HG23 ILE 11 HG23 ILE 11 10.133 -9.270 9.910
90 HD11 ILE 11 HD11 ILE 11 8.614 -10.568 7.066
91 HD12 ILE 11 HD12 ILE 11 8.062 -9.519 5.759
92 HD13 ILE 11 HD13 ILE 11 9.260 -10.773 5.438
93 H ILE 12 H ILE 12 12.991 -10.679 8.814
94 HA ILE 12 HA ILE 12 12.944 -10.347 11.557
95 HB ILE 12 HB ILE 12 15.034 -11.849 9.976
96 HG12 ILE 12 HG12 ILE 12 12.785 -12.570 9.375
97 HG13 ILE 12 HG13 ILE 12 13.570 -13.809 10.349
98 HG21 ILE 12 HG21 ILE 12 14.170 -12.044 12.856
99 HG22 ILE 12 HG22 ILE 12 15.189 -13.230 12.043
100 HG23 ILE 12 HG23 ILE 12 15.755 -11.573 12.244
101 HD11 ILE 12 HD11 ILE 12 11.678 -13.811 11.520
102 HD12 ILE 12 HD12 ILE 12 12.278 -12.314 12.235
103 HD13 ILE 12 HD13 ILE 12 11.165 -12.254 10.870
104 H GLY 13 H GLY 13 15.535 -9.494 9.281
105 HA2 GLY 13 HA2 GLY 13 17.494 -8.684 11.048
106 HA3 GLY 13 HA3 GLY 13 17.242 -7.966 9.464
107 H VAL 14 H VAL 14 15.237 -6.424 9.460
108 HA VAL 14 HA VAL 14 15.850 -4.178 10.930
109 HB VAL 14 HB VAL 14 13.130 -4.949 9.864
110 HG11 VAL 14 HG11 VAL 14 12.852 -3.158 11.411
111 HG12 VAL 14 HG12 VAL 14 14.249 -2.299 10.759
112 HG13 VAL 14 HG13 VAL 14 12.785 -2.468 9.790
113 HG21 VAL 14 HG21 VAL 14 15.109 -3.127 8.538
114 HG22 VAL 14 HG22 VAL 14 15.157 -4.872 8.284
115 HG23 VAL 14 HG23 VAL 14 13.719 -3.955 7.835
116 H SER 15 H SER 15 13.502 -6.717 11.696
117 HA SER 15 HA SER 15 12.270 -5.618 13.901
118 HB2 SER 15 HB2 SER 15 11.960 -7.940 12.704
119 HB3 SER 15 HB3 SER 15 13.048 -8.511 13.969
120 HG SER 15 HG SER 15 11.583 -7.781 15.509
121 H VAL 16 H VAL 16 15.235 -7.591 13.868
122 HA VAL 16 HA VAL 16 15.753 -7.456 16.622
123 HB VAL 16 HB VAL 16 17.872 -7.646 14.486
124 HG11 VAL 16 HG11 VAL 16 18.645 -9.333 16.405
125 HG12 VAL 16 HG12 VAL 16 19.068 -7.620 16.415
126 HG13 VAL 16 HG13 VAL 16 17.717 -8.202 17.389
127 HG21 VAL 16 HG21 VAL 16 16.678 -9.392 13.719
128 HG22 VAL 16 HG22 VAL 16 17.333 -10.222 15.130
129 HG23 VAL 16 HG23 VAL 16 15.718 -9.517 15.193
130 H LEU 17 H LEU 17 16.763 -5.366 13.952
131 HA LEU 17 HA LEU 17 18.567 -3.744 15.312
132 HB2 LEU 17 HB2 LEU 17 16.835 -3.425 12.924
133 HB3 LEU 17 HB3 LEU 17 17.547 -1.968 13.614
134 HG LEU 17 HG LEU 17 19.215 -4.346 12.839
135 HD11 LEU 17 HD11 LEU 17 18.976 -3.905 10.682
136 HD12 LEU 17 HD12 LEU 17 19.410 -2.217 10.950
137 HD13 LEU 17 HD13 LEU 17 17.726 -2.725 11.076
138 HD21 LEU 17 HD21 LEU 17 19.692 -1.545 13.698
139 HD22 LEU 17 HD22 LEU 17 20.790 -2.239 12.504
140 HD23 LEU 17 HD23 LEU 17 20.589 -3.017 14.075
141 H SER 18 H SER 18 15.134 -3.015 14.659
142 HA SER 18 HA SER 18 14.912 -0.723 16.174
143 HB2 SER 18 HB2 SER 18 13.138 -1.569 14.677
144 HB3 SER 18 HB3 SER 18 12.795 -2.861 15.827
145 HG SER 18 HG SER 18 12.601 -0.082 16.377
146 H VAL 19 H VAL 19 14.590 -4.087 17.221
147 HA VAL 19 HA VAL 19 13.712 -3.704 19.819
148 HB VAL 19 HB VAL 19 15.618 -5.801 18.775
149 HG11 VAL 19 HG11 VAL 19 14.860 -7.112 20.765
150 HG12 VAL 19 HG12 VAL 19 15.875 -5.720 21.149
151 HG13 VAL 19 HG13 VAL 19 14.130 -5.633 21.389
152 HG21 VAL 19 HG21 VAL 19 13.842 -6.886 17.971
153 HG22 VAL 19 HG22 VAL 19 12.906 -6.608 19.439
154 HG23 VAL 19 HG23 VAL 19 12.957 -5.375 18.178
155 H LEU 20 H LEU 20 17.101 -4.069 18.759
156 HA LEU 20 HA LEU 20 18.230 -3.457 21.266
157 HB2 LEU 20 HB2 LEU 20 19.402 -3.186 18.502
158 HB3 LEU 20 HB3 LEU 20 20.321 -3.103 20.003
159 HG LEU 20 HG LEU 20 18.984 -5.491 18.760
160 HD11 LEU 20 HD11 LEU 20 21.131 -5.323 17.922
161 HD12 LEU 20 HD12 LEU 20 21.353 -6.379 19.317
162 HD13 LEU 20 HD13 LEU 20 21.781 -4.671 19.426
163 HD21 LEU 20 HD21 LEU 20 20.023 -5.192 21.574
164 HD22 LEU 20 HD22 LEU 20 19.654 -6.732 20.799
165 HD23 LEU 20 HD23 LEU 20 18.369 -5.558 21.084
166 H VAL 21 H VAL 21 17.364 -1.453 18.501
167 HA VAL 21 HA VAL 21 18.617 0.919 19.113
168 HB VAL 21 HB VAL 21 15.856 0.504 17.965
169 HG11 VAL 21 HG11 VAL 21 16.498 2.881 16.997
170 HG12 VAL 21 HG12 VAL 21 15.673 2.704 18.547
171 HG13 VAL 21 HG13 VAL 21 17.415 2.976 18.500
172 HG21 VAL 21 HG21 VAL 21 16.836 0.181 15.979
173 HG22 VAL 21 HG22 VAL 21 18.005 1.475 16.242
174 HG23 VAL 21 HG23 VAL 21 18.303 -0.130 16.907
175 H VAL 22 H VAL 22 15.378 -0.097 20.207
176 HA VAL 22 HA VAL 22 15.005 2.140 21.915
177 HB VAL 22 HB VAL 22 13.634 -0.552 21.987
178 HG11 VAL 22 HG11 VAL 22 11.795 0.860 23.056
179 HG12 VAL 22 HG12 VAL 22 13.195 0.464 24.055
180 HG13 VAL 22 HG13 VAL 22 13.049 2.068 23.334
181 HG21 VAL 22 HG21 VAL 22 11.812 0.755 20.801
182 HG22 VAL 22 HG22 VAL 22 13.030 1.996 20.506
183 HG23 VAL 22 HG23 VAL 22 13.247 0.373 19.850
184 H SER 23 H SER 23 15.667 -1.287 22.658
185 HA SER 23 HA SER 23 15.956 -1.071 25.394
186 HB2 SER 23 HB2 SER 23 15.921 -3.225 24.226
187 HB3 SER 23 HB3 SER 23 17.498 -2.879 23.516
188 HG SER 23 HG SER 23 16.861 -3.778 26.026
189 H VAL 24 H VAL 24 18.664 -1.128 23.068
190 HA VAL 24 HA VAL 24 20.712 -0.486 24.782
191 HB VAL 24 HB VAL 24 20.385 0.385 21.908
192 HG11 VAL 24 HG11 VAL 24 22.220 1.607 22.212
193 HG12 VAL 24 HG12 VAL 24 22.434 0.993 23.853
194 HG13 VAL 24 HG13 VAL 24 23.093 0.099 22.482
195 HG21 VAL 24 HG21 VAL 24 21.186 -1.631 21.267
196 HG22 VAL 24 HG22 VAL 24 22.220 -1.796 22.686
197 HG23 VAL 24 HG23 VAL 24 20.495 -2.142 22.807
198 H VAL 25 H VAL 25 19.045 1.889 22.700
199 HA VAL 25 HA VAL 25 20.132 4.194 23.716
200 HB VAL 25 HB VAL 25 17.370 3.672 22.640
201 HG11 VAL 25 HG11 VAL 25 18.566 6.263 23.586
202 HG12 VAL 25 HG12 VAL 25 17.249 6.196 22.414
203 HG13 VAL 25 HG13 VAL 25 17.022 5.541 24.036
204 HG21 VAL 25 HG21 VAL 25 19.561 3.592 21.253
205 HG22 VAL 25 HG22 VAL 25 18.172 4.474 20.619
206 HG23 VAL 25 HG23 VAL 25 19.501 5.350 21.378
207 H ALA 26 H ALA 26 17.317 2.420 24.941
208 HA ALA 26 HA ALA 26 16.480 4.171 26.915
209 HB1 ALA 26 HB1 ALA 26 15.291 2.111 26.227
210 HB2 ALA 26 HB2 ALA 26 16.481 1.164 27.120
211 HB3 ALA 26 HB3 ALA 26 15.426 2.287 27.977
212 H VAL 27 H VAL 27 18.972 1.651 27.096
213 HA VAL 27 HA VAL 27 19.576 2.077 29.841
214 HB VAL 27 HB VAL 27 21.341 0.855 27.715
215 HG11 VAL 27 HG11 VAL 27 21.372 0.536 30.715
216 HG12 VAL 27 HG12 VAL 27 22.448 -0.264 29.568
217 HG13 VAL 27 HG13 VAL 27 22.521 1.487 29.773
218 HG21 VAL 27 HG21 VAL 27 20.377 -1.259 29.031
219 HG22 VAL 27 HG22 VAL 27 19.000 -0.171 29.212
220 HG23 VAL 27 HG23 VAL 27 19.590 -0.587 27.603
221 H LEU 28 H LEU 28 21.006 3.239 26.817
222 HA LEU 28 HA LEU 28 23.262 4.500 27.770
223 HB2 LEU 28 HB2 LEU 28 21.408 5.057 25.500
224 HB3 LEU 28 HB3 LEU 28 22.689 6.209 25.869
225 HG LEU 28 HG LEU 28 23.349 3.320 25.451
226 HD11 LEU 28 HD11 LEU 28 23.814 4.060 23.034
227 HD12 LEU 28 HD12 LEU 28 22.655 5.348 23.358
228 HD13 LEU 28 HD13 LEU 28 22.156 3.661 23.484
229 HD21 LEU 28 HD21 LEU 28 25.331 4.748 24.351
230 HD22 LEU 28 HD22 LEU 28 25.285 4.316 26.061
231 HD23 LEU 28 HD23 LEU 28 24.755 5.917 25.540
232 H VAL 29 H VAL 29 20.050 5.991 27.334
233 HA VAL 29 HA VAL 29 20.727 8.443 28.554
234 HB VAL 29 HB VAL 29 17.961 7.245 28.431
235 HG11 VAL 29 HG11 VAL 29 17.261 9.600 28.302
236 HG12 VAL 29 HG12 VAL 29 18.135 9.246 29.794
237 HG13 VAL 29 HG13 VAL 29 18.944 10.097 28.477
238 HG21 VAL 29 HG21 VAL 29 19.514 8.711 26.305
239 HG22 VAL 29 HG22 VAL 29 18.876 7.069 26.224
240 HG23 VAL 29 HG23 VAL 29 17.772 8.443 26.250
241 H TYR 30 H TYR 30 19.361 5.448 29.819
242 HA TYR 30 HA TYR 30 18.537 6.254 32.323
243 HB2 TYR 30 HB2 TYR 30 18.885 3.824 31.027
244 HB3 TYR 30 HB3 TYR 30 19.951 3.706 32.423
245 HD1 TYR 30 HD1 TYR 30 19.065 2.942 34.416
246 HD2 TYR 30 HD2 TYR 30 16.461 4.734 31.568
247 HE1 TYR 30 HE1 TYR 30 17.139 2.400 35.846
248 HE2 TYR 30 HE2 TYR 30 14.527 4.198 32.991
249 HH TYR 30 HH TYR 30 14.789 2.125 35.743
250 H LYS 31 H LYS 31 21.798 5.355 31.271
251 HA LYS 31 HA LYS 31 22.900 5.927 33.894
252 HB2 LYS 31 HB2 LYS 31 24.480 5.333 31.401
253 HB3 LYS 31 HB3 LYS 31 24.947 5.071 33.076
254 HG2 LYS 31 HG2 LYS 31 23.438 3.242 33.292
255 HG3 LYS 31 HG3 LYS 31 22.702 3.592 31.726
256 HD2 LYS 31 HD2 LYS 31 24.113 1.896 31.124
257 HD3 LYS 31 HD3 LYS 31 25.186 3.276 30.882
258 HE2 LYS 31 HE2 LYS 31 26.023 2.914 33.217
259 HE3 LYS 31 HE3 LYS 31 25.085 1.422 33.256
260 HZ1 LYS 31 HZ1 LYS 31 26.938 1.833 31.026
261 HZ2 LYS 31 HZ2 LYS 31 26.474 0.398 31.793
262 HZ3 LYS 31 HZ3 LYS 31 27.588 1.432 32.536
263 H PHE 32 H PHE 32 23.356 7.156 30.578
264 HA PHE 32 HA PHE 32 25.072 9.243 31.110
265 HB2 PHE 32 HB2 PHE 32 22.950 8.819 29.039
266 HB3 PHE 32 HB3 PHE 32 23.768 10.375 29.129
267 HD1 PHE 32 HD1 PHE 32 25.376 10.599 27.520
268 HD2 PHE 32 HD2 PHE 32 24.862 6.814 29.398
269 HE1 PHE 32 HE1 PHE 32 27.244 9.694 26.199
270 HE2 PHE 32 HE2 PHE 32 26.730 5.903 28.082
271 HZ PHE 32 HZ PHE 32 27.924 7.344 26.481
272 H TYR 33 H TYR 33 21.738 8.940 31.927
273 HA TYR 33 HA TYR 33 21.632 11.775 32.710
274 HB2 TYR 33 HB2 TYR 33 19.872 10.742 31.121
275 HB3 TYR 33 HB3 TYR 33 19.239 9.959 32.564
276 HD1 TYR 33 HD1 TYR 33 18.823 12.690 30.496
277 HD2 TYR 33 HD2 TYR 33 19.014 11.714 34.632
278 HE1 TYR 33 HE1 TYR 33 17.545 14.723 31.028
279 HE2 TYR 33 HE2 TYR 33 17.736 13.743 35.176
280 HH TYR 33 HH TYR 33 15.944 15.391 33.131
281 H PHE 34 H PHE 34 20.634 8.539 33.811
282 HA PHE 34 HA PHE 34 20.841 9.518 36.582
283 HB2 PHE 34 HB2 PHE 34 19.205 7.171 35.605
284 HB3 PHE 34 HB3 PHE 34 19.197 7.867 37.222
285 HD1 PHE 34 HD1 PHE 34 18.206 8.400 33.720
286 HD2 PHE 34 HD2 PHE 34 17.915 9.803 37.728
287 HE1 PHE 34 HE1 PHE 34 16.370 9.898 33.059
288 HE2 PHE 34 HE2 PHE 34 16.078 11.302 37.073
289 HZ PHE 34 HZ PHE 34 15.302 11.351 34.736
290 H HIS 35 H HIS 35 23.190 8.850 35.525
291 HA HIS 35 HA HIS 35 24.045 6.243 35.441
292 HB2 HIS 35 HB2 HIS 35 25.577 7.971 34.856
293 HB3 HIS 35 HB3 HIS 35 25.451 8.716 36.447
294 HD1 HIS 35 HD1 HIS 35 27.039 5.822 34.663
295 HD2 HIS 35 HD2 HIS 35 27.098 7.628 38.405
296 HE1 HIS 35 HE1 HIS 35 28.980 4.784 35.880