Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
478193 | 2kya RC | 16943 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 H1 MET 1 1HT MET 1 23.905 -7.036 -1.133
2 H2 MET 1 2HT MET 1 22.853 -6.549 0.098
3 H3 MET 1 3HT MET 1 24.485 -6.110 0.159
4 HA MET 1 HA MET 1 23.130 -4.247 -0.514
5 HB2 MET 1 2HB MET 1 24.893 -5.408 -2.678
6 HB3 MET 1 1HB MET 1 24.312 -3.749 -2.664
7 HG2 MET 1 2HG MET 1 25.491 -3.339 -0.576
8 HG3 MET 1 1HG MET 1 26.052 -5.010 -0.555
9 HE1 MET 1 2HE MET 1 26.783 -5.615 -3.534
10 HE2 MET 1 3HE MET 1 27.855 -6.000 -2.187
11 HE3 MET 1 1HE MET 1 28.481 -5.140 -3.593
12 H ASN 2 H ASN 2 20.911 -4.843 -0.647
13 HA ASN 2 HA ASN 2 19.996 -5.106 -3.416
14 HB2 ASN 2 2HB ASN 2 18.893 -6.741 -1.119
15 HB3 ASN 2 1HB ASN 2 18.270 -6.728 -2.767
16 HD21 ASN 2 1HD2 ASN 2 20.823 -7.780 -0.673
17 HD22 ASN 2 2HD2 ASN 2 21.551 -8.890 -1.779
18 H LYS 3 H LYS 3 18.036 -4.098 -3.863
19 HA LYS 3 HA LYS 3 16.764 -2.636 -1.659
20 HB2 LYS 3 2HB LYS 3 16.591 -0.638 -3.117
21 HB3 LYS 3 1HB LYS 3 18.252 -1.053 -2.717
22 HG2 LYS 3 2HG LYS 3 18.566 -2.053 -4.895
23 HG3 LYS 3 1HG LYS 3 16.875 -1.754 -5.301
24 HD2 LYS 3 2HD LYS 3 17.276 0.669 -5.064
25 HD3 LYS 3 1HD LYS 3 18.978 0.335 -4.734
26 HE2 LYS 3 2HE LYS 3 19.201 -0.700 -6.939
27 HE3 LYS 3 1HE LYS 3 17.500 -0.374 -7.267
28 HZ1 LYS 3 3HZ LYS 3 19.575 1.690 -6.760
29 HZ2 LYS 3 1HZ LYS 3 17.948 1.986 -7.118
30 HZ3 LYS 3 2HZ LYS 3 18.955 1.278 -8.278
31 H LYS 4 H LYS 4 15.789 -4.983 -2.709
32 HA LYS 4 HA LYS 4 13.769 -4.323 -4.688
33 HB2 LYS 4 2HB LYS 4 14.592 -6.878 -3.328
34 HB3 LYS 4 1HB LYS 4 13.122 -6.783 -4.288
35 HG2 LYS 4 2HG LYS 4 14.828 -7.663 -5.679
36 HG3 LYS 4 1HG LYS 4 14.525 -6.008 -6.208
37 HD2 LYS 4 2HD LYS 4 16.483 -5.256 -4.930
38 HD3 LYS 4 1HD LYS 4 16.789 -6.921 -4.431
39 HE2 LYS 4 2HE LYS 4 18.228 -6.314 -6.290
40 HE3 LYS 4 1HE LYS 4 17.082 -7.560 -6.781
41 HZ1 LYS 4 3HZ LYS 4 15.731 -5.872 -7.835
42 HZ2 LYS 4 1HZ LYS 4 17.306 -5.815 -8.449
43 HZ3 LYS 4 2HZ LYS 4 16.793 -4.655 -7.331
44 H ASN 5 H ASN 5 13.949 -5.276 -1.285
45 HA ASN 5 HA ASN 5 11.097 -4.594 -1.007
46 HB2 ASN 5 2HB ASN 5 11.074 -6.018 0.983
47 HB3 ASN 5 1HB ASN 5 11.637 -6.925 -0.418
48 HD21 ASN 5 1HD2 ASN 5 13.800 -7.528 -0.549
49 HD22 ASN 5 2HD2 ASN 5 14.839 -7.513 0.831
50 H ILE 6 H ILE 6 14.252 -3.636 -0.242
51 HA ILE 6 HA ILE 6 13.518 -2.189 2.169
52 HB ILE 6 HB ILE 6 16.146 -2.188 0.683
53 HG12 ILE 6 2HG1 ILE 6 15.342 -3.790 3.121
54 HG13 ILE 6 1HG1 ILE 6 15.456 -4.445 1.490
55 HG21 ILE 6 1HG2 ILE 6 15.437 -1.311 3.479
56 HG22 ILE 6 2HG2 ILE 6 15.853 -0.256 2.128
57 HG23 ILE 6 3HG2 ILE 6 17.063 -1.351 2.797
58 HD11 ILE 6 3HD1 ILE 6 17.842 -3.917 1.453
59 HD12 ILE 6 1HD1 ILE 6 17.426 -4.992 2.788
60 HD13 ILE 6 2HD1 ILE 6 17.721 -3.281 3.094
61 H LEU 7 H LEU 7 12.117 -0.574 1.540
62 HA LEU 7 HA LEU 7 12.552 1.106 -0.709
63 HB2 LEU 7 2HB LEU 7 10.805 1.389 1.732
64 HB3 LEU 7 1HB LEU 7 10.837 2.582 0.447
65 HG LEU 7 HG LEU 7 10.217 0.651 -1.125
66 HD11 LEU 7 1HD1 LEU 7 9.012 -1.200 -0.068
67 HD12 LEU 7 2HD1 LEU 7 9.495 -0.602 1.520
68 HD13 LEU 7 3HD1 LEU 7 10.716 -1.183 0.387
69 HD21 LEU 7 3HD2 LEU 7 8.263 1.594 0.968
70 HD22 LEU 7 1HD2 LEU 7 7.837 0.886 -0.590
71 HD23 LEU 7 2HD2 LEU 7 8.680 2.434 -0.526
72 HA PRO 8 HA PRO 8 15.330 4.023 1.081
73 HB2 PRO 8 2HB PRO 8 14.965 6.138 -0.532
74 HB3 PRO 8 1HB PRO 8 15.785 4.663 -1.045
75 HG2 PRO 8 2HG PRO 8 13.104 5.655 -1.711
76 HG3 PRO 8 1HG PRO 8 14.165 4.570 -2.609
77 HD2 PRO 8 2HD PRO 8 11.929 3.866 -1.019
78 HD3 PRO 8 1HD PRO 8 13.086 2.770 -1.796
79 H GLN 9 H GLN 9 14.923 6.872 0.902
80 HA GLN 9 HA GLN 9 13.580 7.295 3.340
81 HB2 GLN 9 2HB GLN 9 14.540 9.293 1.297
82 HB3 GLN 9 1HB GLN 9 14.055 9.676 2.937
83 HG2 GLN 9 2HG GLN 9 16.365 7.912 2.175
84 HG3 GLN 9 1HG GLN 9 16.484 9.595 2.685
85 HE21 GLN 9 1HE2 GLN 9 14.366 9.307 4.673
86 HE22 GLN 9 2HE2 GLN 9 15.062 8.432 5.990
87 H GLN 10 H GLN 10 12.308 6.595 0.552
88 HA GLN 10 HA GLN 10 10.262 8.540 0.209
89 HB2 GLN 10 2HB GLN 10 10.594 5.743 -0.842
90 HB3 GLN 10 1HB GLN 10 9.226 6.767 -1.257
91 HG2 GLN 10 2HG GLN 10 12.128 7.255 -1.862
92 HG3 GLN 10 1HG GLN 10 10.825 6.927 -2.998
93 HE21 GLN 10 1HE2 GLN 10 12.674 9.181 -2.866
94 HE22 GLN 10 2HE2 GLN 10 11.691 10.597 -2.750
95 H GLY 11 H GLY 11 9.605 5.097 0.767
96 HA2 GLY 11 2HA GLY 11 8.197 4.048 2.263
97 HA3 GLY 11 1HA GLY 11 8.263 5.500 3.246
98 H GLN 12 H GLN 12 7.377 6.263 0.145
99 HA GLN 12 HA GLN 12 4.843 7.142 0.825
100 HB2 GLN 12 2HB GLN 12 6.534 7.092 -1.505
101 HB3 GLN 12 1HB GLN 12 4.850 6.868 -1.926
102 HG2 GLN 12 2HG GLN 12 4.283 8.919 -0.705
103 HG3 GLN 12 1HG GLN 12 5.990 9.138 -0.325
104 HE21 GLN 12 1HE2 GLN 12 6.063 11.119 -1.378
105 HE22 GLN 12 2HE2 GLN 12 6.039 11.249 -3.100
106 HA PRO 13 HA PRO 13 3.126 3.283 -1.538
107 HB2 PRO 13 2HB PRO 13 5.330 1.348 -1.468
108 HB3 PRO 13 1HB PRO 13 4.384 1.911 -2.849
109 HG2 PRO 13 2HG PRO 13 6.970 2.598 -2.533
110 HG3 PRO 13 1HG PRO 13 5.786 3.712 -3.245
111 HD2 PRO 13 2HD PRO 13 6.833 3.619 -0.430
112 HD3 PRO 13 1HD PRO 13 6.619 5.035 -1.485
113 H VAL 14 H VAL 14 4.979 3.347 1.285
114 HA VAL 14 HA VAL 14 3.972 0.891 2.414
115 HB VAL 14 HB VAL 14 5.328 3.217 3.800
116 HG11 VAL 14 1HG1 VAL 14 4.102 1.812 5.350
117 HG12 VAL 14 2HG1 VAL 14 5.836 1.570 5.555
118 HG13 VAL 14 3HG1 VAL 14 4.875 0.371 4.690
119 HG21 VAL 14 3HG2 VAL 14 6.504 0.663 2.707
120 HG22 VAL 14 1HG2 VAL 14 7.371 1.863 3.666
121 HG23 VAL 14 2HG2 VAL 14 6.758 2.287 2.067
122 H ILE 15 H ILE 15 2.954 4.134 2.056
123 HA ILE 15 HA ILE 15 0.991 3.977 4.199
124 HB ILE 15 HB ILE 15 1.185 6.241 2.246
125 HG12 ILE 15 2HG1 ILE 15 3.489 5.766 2.993
126 HG13 ILE 15 1HG1 ILE 15 2.904 7.303 3.609
127 HG21 ILE 15 1HG2 ILE 15 0.470 7.557 4.188
128 HG22 ILE 15 2HG2 ILE 15 0.470 6.092 5.170
129 HG23 ILE 15 3HG2 ILE 15 -0.657 6.252 3.823
130 HD11 ILE 15 3HD1 ILE 15 4.165 6.086 5.289
131 HD12 ILE 15 1HD1 ILE 15 3.049 4.727 5.156
132 HD13 ILE 15 2HD1 ILE 15 2.480 6.277 5.778
133 H ARG 16 H ARG 16 1.285 3.670 0.801
134 HA ARG 16 HA ARG 16 -1.521 3.904 0.204
135 HB2 ARG 16 2HB ARG 16 0.342 2.489 -1.635
136 HB3 ARG 16 1HB ARG 16 -0.927 3.642 -2.007
137 HG2 ARG 16 2HG ARG 16 0.520 5.427 -1.042
138 HG3 ARG 16 1HG ARG 16 1.801 4.217 -0.925
139 HD2 ARG 16 2HD ARG 16 0.406 5.133 -3.434
140 HD3 ARG 16 1HD ARG 16 2.062 5.509 -2.960
141 HE ARG 16 HE ARG 16 2.300 2.932 -3.064
142 HH11 ARG 16 1HH1 ARG 16 0.352 4.904 -5.176
143 HH12 ARG 16 2HH1 ARG 16 0.487 3.823 -6.522
144 HH21 ARG 16 1HH2 ARG 16 2.484 1.503 -4.833
145 HH22 ARG 16 2HH2 ARG 16 1.697 1.891 -6.327
146 H LEU 17 H LEU 17 0.852 1.381 0.559
147 HA LEU 17 HA LEU 17 -0.809 -0.830 -0.009
148 HB2 LEU 17 2HB LEU 17 1.729 -0.757 0.139
149 HB3 LEU 17 1HB LEU 17 1.540 -0.832 1.877
150 HG LEU 17 HG LEU 17 0.358 -3.006 1.616
151 HD11 LEU 17 1HD1 LEU 17 -0.442 -2.723 -0.665
152 HD12 LEU 17 2HD1 LEU 17 0.532 -4.186 -0.519
153 HD13 LEU 17 3HD1 LEU 17 1.217 -2.741 -1.262
154 HD21 LEU 17 3HD2 LEU 17 2.362 -4.301 1.173
155 HD22 LEU 17 1HD2 LEU 17 2.755 -2.876 2.135
156 HD23 LEU 17 2HD2 LEU 17 3.120 -2.904 0.410
157 H THR 18 H THR 18 0.030 0.770 3.039
158 HA THR 18 HA THR 18 -1.220 -0.949 4.809
159 HB THR 18 HB THR 18 -0.915 2.052 4.951
160 HG1 THR 18 1HG THR 18 0.864 1.410 6.341
161 HG21 THR 18 3HG2 THR 18 -1.613 0.069 7.109
162 HG22 THR 18 1HG2 THR 18 -2.647 1.351 6.484
163 HG23 THR 18 2HG2 THR 18 -1.188 1.758 7.386
164 H ALA 19 H ALA 19 -2.601 2.209 3.911
165 HA ALA 19 HA ALA 19 -5.217 1.495 4.652
166 HB1 ALA 19 1HB ALA 19 -4.327 3.705 2.803
167 HB2 ALA 19 2HB ALA 19 -4.464 3.820 4.558
168 HB3 ALA 19 3HB ALA 19 -5.907 3.574 3.576
169 H GLY 20 H GLY 20 -3.383 0.711 1.941
170 HA2 GLY 20 2HA GLY 20 -5.452 0.520 0.021
171 HA3 GLY 20 1HA GLY 20 -3.869 -0.210 -0.104
172 H GLN 21 H GLN 21 -3.915 -1.781 2.171
173 HA GLN 21 HA GLN 21 -5.230 -4.089 1.238
174 HB2 GLN 21 2HB GLN 21 -3.214 -4.069 2.712
175 HB3 GLN 21 1HB GLN 21 -4.241 -3.565 4.046
176 HG2 GLN 21 2HG GLN 21 -5.523 -5.637 3.837
177 HG3 GLN 21 1HG GLN 21 -4.481 -6.143 2.509
178 HE21 GLN 21 1HE2 GLN 21 -2.089 -5.020 3.768
179 HE22 GLN 21 2HE2 GLN 21 -1.672 -6.104 5.046
180 H LEU 22 H LEU 22 -6.032 -1.813 3.831
181 HA LEU 22 HA LEU 22 -8.371 -3.184 4.680
182 HB2 LEU 22 2HB LEU 22 -7.351 -0.381 5.078
183 HB3 LEU 22 1HB LEU 22 -8.900 -0.894 5.710
184 HG LEU 22 HG LEU 22 -7.247 -0.999 7.460
185 HD11 LEU 22 1HD1 LEU 22 -7.457 -3.335 8.132
186 HD12 LEU 22 2HD1 LEU 22 -7.953 -3.766 6.496
187 HD13 LEU 22 3HD1 LEU 22 -8.974 -2.716 7.479
188 HD21 LEU 22 3HD2 LEU 22 -5.712 -2.870 5.661
189 HD22 LEU 22 1HD2 LEU 22 -5.292 -2.445 7.320
190 HD23 LEU 22 2HD2 LEU 22 -5.256 -1.213 6.058
191 H SER 23 H SER 23 -7.808 -0.445 2.495
192 HA SER 23 HA SER 23 -10.544 -0.031 1.949
193 HB2 SER 23 2HB SER 23 -8.929 1.770 1.653
194 HB3 SER 23 1HB SER 23 -8.133 0.838 0.394
195 HG SER 23 HG SER 23 -10.806 1.776 0.308
196 H SER 24 H SER 24 -8.718 -2.555 1.266
197 HA SER 24 HA SER 24 -9.742 -3.069 -1.407
198 HB2 SER 24 2HB SER 24 -7.366 -3.594 -0.893
199 HB3 SER 24 1HB SER 24 -7.915 -4.767 0.299
200 HG SER 24 HG SER 24 -7.448 -5.747 -1.715
201 H GLN 25 H GLN 25 -9.898 -4.278 1.883
202 HA GLN 25 HA GLN 25 -11.600 -6.474 1.372
203 HB2 GLN 25 2HB GLN 25 -11.022 -4.893 3.878
204 HB3 GLN 25 1HB GLN 25 -12.076 -6.303 3.860
205 HG2 GLN 25 2HG GLN 25 -10.228 -7.682 3.073
206 HG3 GLN 25 1HG GLN 25 -9.171 -6.270 3.067
207 HE21 GLN 25 1HE2 GLN 25 -10.845 -8.597 5.023
208 HE22 GLN 25 2HE2 GLN 25 -10.042 -8.232 6.508
209 H LEU 26 H LEU 26 -12.150 -3.127 1.416
210 HA LEU 26 HA LEU 26 -14.992 -3.428 1.931
211 HB2 LEU 26 2HB LEU 26 -13.537 -0.853 1.412
212 HB3 LEU 26 1HB LEU 26 -15.097 -1.072 2.184
213 HG LEU 26 HG LEU 26 -12.550 -2.113 3.382
214 HD11 LEU 26 1HD1 LEU 26 -12.509 -0.123 4.791
215 HD12 LEU 26 2HD1 LEU 26 -13.886 0.539 3.910
216 HD13 LEU 26 3HD1 LEU 26 -12.342 0.308 3.089
217 HD21 LEU 26 3HD2 LEU 26 -14.607 -3.110 4.213
218 HD22 LEU 26 1HD2 LEU 26 -15.267 -1.508 4.542
219 HD23 LEU 26 2HD2 LEU 26 -13.869 -2.089 5.448
220 H ALA 27 H ALA 27 -12.713 -2.596 -0.576
221 HA ALA 27 HA ALA 27 -14.316 -1.499 -2.507
222 HB1 ALA 27 1HB ALA 27 -12.779 -2.436 -4.165
223 HB2 ALA 27 2HB ALA 27 -12.128 -3.531 -2.945
224 HB3 ALA 27 3HB ALA 27 -11.904 -1.790 -2.776
225 H GLU 28 H GLU 28 -13.778 -4.935 -1.864
226 HA GLU 28 HA GLU 28 -15.375 -6.035 -3.755
227 HB2 GLU 28 2HB GLU 28 -15.730 -7.906 -2.018
228 HB3 GLU 28 1HB GLU 28 -14.111 -7.579 -2.630
229 HG2 GLU 28 2HG GLU 28 -13.735 -6.137 -0.701
230 HG3 GLU 28 1HG GLU 28 -15.289 -6.632 -0.057
231 H LEU 29 H LEU 29 -16.259 -4.710 -0.649
232 HA LEU 29 HA LEU 29 -19.096 -5.176 -1.274
233 HB2 LEU 29 2HB LEU 29 -17.617 -4.948 1.326
234 HB3 LEU 29 1HB LEU 29 -19.332 -4.599 1.254
235 HG LEU 29 HG LEU 29 -18.964 -6.869 2.020
236 HD11 LEU 29 1HD1 LEU 29 -20.363 -8.063 0.429
237 HD12 LEU 29 2HD1 LEU 29 -20.056 -6.824 -0.789
238 HD13 LEU 29 3HD1 LEU 29 -20.951 -6.419 0.676
239 HD21 LEU 29 3HD2 LEU 29 -17.578 -7.336 -0.617
240 HD22 LEU 29 1HD2 LEU 29 -17.926 -8.554 0.610
241 HD23 LEU 29 2HD2 LEU 29 -16.790 -7.252 0.959
242 H SER 30 H SER 30 -17.729 -3.131 -2.516
243 HA SER 30 HA SER 30 -17.542 -0.675 -1.456
244 HB2 SER 30 2HB SER 30 -17.053 -1.130 -3.798
245 HB3 SER 30 1HB SER 30 -18.769 -1.355 -4.134
246 HG SER 30 HG SER 30 -17.331 0.933 -4.001
247 H GLU 31 H GLU 31 -18.822 0.754 -0.483
248 HA GLU 31 HA GLU 31 -21.520 0.165 0.114
249 HB2 GLU 31 2HB GLU 31 -19.995 2.761 0.402
250 HB3 GLU 31 1HB GLU 31 -21.565 2.430 1.120
251 HG2 GLU 31 2HG GLU 31 -19.965 2.126 2.823
252 HG3 GLU 31 1HG GLU 31 -20.491 0.516 2.337
253 H GLU 32 H GLU 32 -23.178 0.305 -1.226
254 HA GLU 32 HA GLU 32 -23.058 2.038 -3.555
255 HB2 GLU 32 2HB GLU 32 -25.163 0.057 -2.666
256 HB3 GLU 32 1HB GLU 32 -25.168 0.921 -4.197
257 HG2 GLU 32 2HG GLU 32 -23.171 -0.199 -4.904
258 HG3 GLU 32 1HG GLU 32 -22.987 -0.957 -3.323
259 H ALA 33 H ALA 33 -23.183 4.078 -2.522
260 HA ALA 33 HA ALA 33 -25.875 4.997 -2.133
261 HB1 ALA 33 1HB ALA 33 -25.584 5.856 0.127
262 HB2 ALA 33 2HB ALA 33 -23.975 5.138 0.207
263 HB3 ALA 33 3HB ALA 33 -25.399 4.102 0.098
264 H LEU 34 H LEU 34 -25.793 6.700 -3.444
265 HA LEU 34 HA LEU 34 -23.602 8.633 -3.073
266 HB2 LEU 34 2HB LEU 34 -24.953 7.891 -5.670
267 HB3 LEU 34 1HB LEU 34 -23.753 9.154 -5.477
268 HG LEU 34 HG LEU 34 -23.246 6.219 -4.980
269 HD11 LEU 34 1HD1 LEU 34 -21.970 6.289 -7.062
270 HD12 LEU 34 2HD1 LEU 34 -22.485 7.956 -7.323
271 HD13 LEU 34 3HD1 LEU 34 -23.674 6.653 -7.337
272 HD21 LEU 34 3HD2 LEU 34 -20.896 6.881 -4.920
273 HD22 LEU 34 1HD2 LEU 34 -21.818 7.693 -3.656
274 HD23 LEU 34 2HD2 LEU 34 -21.361 8.570 -5.116
Start of MODEL 2
1 H1 MET 1 1HT MET 1 9.382 17.421 13.036
2 H2 MET 1 2HT MET 1 9.542 15.757 12.776
3 H3 MET 1 3HT MET 1 10.326 16.852 11.753
4 HA MET 1 HA MET 1 11.734 17.597 13.534
5 HB2 MET 1 2HB MET 1 10.239 15.520 15.148
6 HB3 MET 1 1HB MET 1 11.684 16.361 15.692
7 HG2 MET 1 2HG MET 1 9.055 17.657 15.011
8 HG3 MET 1 1HG MET 1 9.647 17.319 16.636
9 HE1 MET 1 2HE MET 1 9.906 21.225 16.406
10 HE2 MET 1 3HE MET 1 9.311 19.868 17.362
11 HE3 MET 1 1HE MET 1 8.648 20.173 15.757
12 H ASN 2 H ASN 2 13.724 16.533 14.028
13 HA ASN 2 HA ASN 2 15.447 15.132 13.553
14 HB2 ASN 2 2HB ASN 2 13.256 13.049 13.664
15 HB3 ASN 2 1HB ASN 2 14.981 12.699 13.674
16 HD21 ASN 2 1HD2 ASN 2 12.923 12.114 15.658
17 HD22 ASN 2 2HD2 ASN 2 13.456 12.847 17.129
18 H LYS 3 H LYS 3 15.979 13.095 11.997
19 HA LYS 3 HA LYS 3 14.819 13.688 9.361
20 HB2 LYS 3 2HB LYS 3 17.116 13.393 8.404
21 HB3 LYS 3 1HB LYS 3 16.922 14.828 9.401
22 HG2 LYS 3 2HG LYS 3 17.956 13.591 11.289
23 HG3 LYS 3 1HG LYS 3 18.261 12.249 10.185
24 HD2 LYS 3 2HD LYS 3 19.639 13.694 8.786
25 HD3 LYS 3 1HD LYS 3 19.299 15.064 9.845
26 HE2 LYS 3 2HE LYS 3 21.487 14.125 10.337
27 HE3 LYS 3 1HE LYS 3 20.392 13.894 11.699
28 HZ1 LYS 3 3HZ LYS 3 21.129 11.846 9.678
29 HZ2 LYS 3 1HZ LYS 3 20.019 11.614 10.935
30 HZ3 LYS 3 2HZ LYS 3 21.649 11.896 11.287
31 H LYS 4 H LYS 4 13.849 11.628 10.787
32 HA LYS 4 HA LYS 4 14.911 9.302 9.348
33 HB2 LYS 4 2HB LYS 4 14.126 9.326 12.267
34 HB3 LYS 4 1HB LYS 4 14.552 7.893 11.344
35 HG2 LYS 4 2HG LYS 4 16.394 10.223 11.833
36 HG3 LYS 4 1HG LYS 4 16.387 8.727 12.767
37 HD2 LYS 4 2HD LYS 4 16.961 7.450 10.792
38 HD3 LYS 4 1HD LYS 4 16.858 8.902 9.791
39 HE2 LYS 4 2HE LYS 4 19.180 8.311 10.331
40 HE3 LYS 4 1HE LYS 4 18.727 9.888 10.980
41 HZ1 LYS 4 3HZ LYS 4 18.386 8.853 13.141
42 HZ2 LYS 4 1HZ LYS 4 19.968 8.603 12.596
43 HZ3 LYS 4 2HZ LYS 4 18.838 7.347 12.516
44 H ASN 5 H ASN 5 12.350 11.266 9.953
45 HA ASN 5 HA ASN 5 10.364 9.131 9.575
46 HB2 ASN 5 2HB ASN 5 10.019 10.633 11.523
47 HB3 ASN 5 1HB ASN 5 9.910 12.001 10.419
48 HD21 ASN 5 1HD2 ASN 5 8.100 12.218 9.100
49 HD22 ASN 5 2HD2 ASN 5 6.636 11.352 9.405
50 H ILE 6 H ILE 6 11.895 11.811 8.073
51 HA ILE 6 HA ILE 6 9.855 12.125 6.033
52 HB ILE 6 HB ILE 6 12.579 13.414 6.256
53 HG12 ILE 6 2HG1 ILE 6 9.853 14.546 6.924
54 HG13 ILE 6 1HG1 ILE 6 11.006 13.956 8.118
55 HG21 ILE 6 1HG2 ILE 6 11.705 15.020 4.619
56 HG22 ILE 6 2HG2 ILE 6 10.226 14.069 4.491
57 HG23 ILE 6 3HG2 ILE 6 11.764 13.382 3.970
58 HD11 ILE 6 3HD1 ILE 6 12.592 15.675 7.441
59 HD12 ILE 6 1HD1 ILE 6 11.057 16.378 7.947
60 HD13 ILE 6 2HD1 ILE 6 11.449 16.258 6.231
61 H LEU 7 H LEU 7 9.841 10.139 4.971
62 HA LEU 7 HA LEU 7 12.328 9.308 3.656
63 HB2 LEU 7 2HB LEU 7 9.731 7.877 4.188
64 HB3 LEU 7 1HB LEU 7 10.943 7.238 3.094
65 HG LEU 7 HG LEU 7 12.569 7.323 5.042
66 HD11 LEU 7 1HD1 LEU 7 11.581 7.314 7.282
67 HD12 LEU 7 2HD1 LEU 7 10.009 7.705 6.586
68 HD13 LEU 7 3HD1 LEU 7 11.338 8.857 6.467
69 HD21 LEU 7 3HD2 LEU 7 10.163 5.515 5.247
70 HD22 LEU 7 1HD2 LEU 7 11.736 5.228 5.991
71 HD23 LEU 7 2HD2 LEU 7 11.583 5.249 4.234
72 HA PRO 8 HA PRO 8 10.765 10.591 -0.270
73 HB2 PRO 8 2HB PRO 8 12.221 9.136 -1.948
74 HB3 PRO 8 1HB PRO 8 12.950 10.376 -0.922
75 HG2 PRO 8 2HG PRO 8 12.917 7.426 -0.593
76 HG3 PRO 8 1HG PRO 8 14.209 8.583 -0.259
77 HD2 PRO 8 2HD PRO 8 12.509 7.485 1.635
78 HD3 PRO 8 1HD PRO 8 13.462 8.964 1.853
79 H GLN 9 H GLN 9 10.825 8.781 -2.551
80 HA GLN 9 HA GLN 9 8.196 7.766 -2.345
81 HB2 GLN 9 2HB GLN 9 10.295 7.501 -4.483
82 HB3 GLN 9 1HB GLN 9 8.673 6.854 -4.643
83 HG2 GLN 9 2HG GLN 9 7.764 9.124 -4.365
84 HG3 GLN 9 1HG GLN 9 9.413 9.746 -4.297
85 HE21 GLN 9 1HE2 GLN 9 7.260 10.306 -6.196
86 HE22 GLN 9 2HE2 GLN 9 7.890 9.913 -7.757
87 H GLN 10 H GLN 10 10.825 6.637 -1.041
88 HA GLN 10 HA GLN 10 10.613 3.839 -1.698
89 HB2 GLN 10 2HB GLN 10 12.272 5.261 0.387
90 HB3 GLN 10 1HB GLN 10 12.378 3.545 0.023
91 HG2 GLN 10 2HG GLN 10 12.989 4.154 -2.315
92 HG3 GLN 10 1HG GLN 10 13.057 5.838 -1.797
93 HE21 GLN 10 1HE2 GLN 10 14.709 6.507 -0.425
94 HE22 GLN 10 2HE2 GLN 10 16.136 5.564 -0.177
95 H GLY 11 H GLY 11 9.727 5.972 0.959
96 HA2 GLY 11 2HA GLY 11 8.505 3.697 2.364
97 HA3 GLY 11 1HA GLY 11 8.887 5.251 3.084
98 H GLN 12 H GLN 12 7.606 5.839 0.132
99 HA GLN 12 HA GLN 12 5.217 6.874 1.168
100 HB2 GLN 12 2HB GLN 12 6.653 6.881 -1.353
101 HB3 GLN 12 1HB GLN 12 4.916 6.871 -1.556
102 HG2 GLN 12 2HG GLN 12 6.481 8.853 0.068
103 HG3 GLN 12 1HG GLN 12 5.818 9.136 -1.542
104 HE21 GLN 12 1HE2 GLN 12 5.095 8.738 1.833
105 HE22 GLN 12 2HE2 GLN 12 3.471 9.325 1.766
106 HA PRO 13 HA PRO 13 3.167 3.244 -1.420
107 HB2 PRO 13 2HB PRO 13 4.759 1.014 -1.539
108 HB3 PRO 13 1HB PRO 13 4.673 2.223 -2.827
109 HG2 PRO 13 2HG PRO 13 6.683 1.957 -0.615
110 HG3 PRO 13 1HG PRO 13 6.961 2.270 -2.341
111 HD2 PRO 13 2HD PRO 13 7.016 4.278 -0.562
112 HD3 PRO 13 1HD PRO 13 6.286 4.495 -2.165
113 H VAL 14 H VAL 14 5.036 3.207 1.404
114 HA VAL 14 HA VAL 14 3.928 0.834 2.572
115 HB VAL 14 HB VAL 14 5.198 3.107 4.089
116 HG11 VAL 14 1HG1 VAL 14 4.183 1.348 5.426
117 HG12 VAL 14 2HG1 VAL 14 5.939 1.305 5.579
118 HG13 VAL 14 3HG1 VAL 14 5.113 0.128 4.558
119 HG21 VAL 14 3HG2 VAL 14 7.373 2.112 3.680
120 HG22 VAL 14 1HG2 VAL 14 6.615 2.558 2.150
121 HG23 VAL 14 2HG2 VAL 14 6.640 0.870 2.665
122 H ILE 15 H ILE 15 2.954 4.094 2.194
123 HA ILE 15 HA ILE 15 0.959 3.917 4.321
124 HB ILE 15 HB ILE 15 1.474 6.253 2.494
125 HG12 ILE 15 2HG1 ILE 15 3.554 5.500 3.675
126 HG13 ILE 15 1HG1 ILE 15 3.037 7.126 4.088
127 HG21 ILE 15 1HG2 ILE 15 0.233 6.048 5.234
128 HG22 ILE 15 2HG2 ILE 15 -0.618 6.337 3.717
129 HG23 ILE 15 3HG2 ILE 15 0.502 7.546 4.342
130 HD11 ILE 15 3HD1 ILE 15 3.804 5.887 6.042
131 HD12 ILE 15 1HD1 ILE 15 2.567 4.663 5.752
132 HD13 ILE 15 2HD1 ILE 15 2.097 6.309 6.178
133 H ARG 16 H ARG 16 1.334 3.679 0.944
134 HA ARG 16 HA ARG 16 -1.449 4.104 0.289
135 HB2 ARG 16 2HB ARG 16 0.382 2.732 -1.604
136 HB3 ARG 16 1HB ARG 16 -0.802 3.991 -1.911
137 HG2 ARG 16 2HG ARG 16 0.731 5.602 -0.791
138 HG3 ARG 16 1HG ARG 16 1.930 4.309 -0.726
139 HD2 ARG 16 2HD ARG 16 0.670 5.480 -3.200
140 HD3 ARG 16 1HD ARG 16 2.330 5.722 -2.658
141 HE ARG 16 HE ARG 16 1.932 2.983 -2.940
142 HH11 ARG 16 1HH1 ARG 16 1.990 5.829 -4.950
143 HH12 ARG 16 2HH1 ARG 16 2.519 4.978 -6.363
144 HH21 ARG 16 1HH2 ARG 16 2.623 1.853 -4.796
145 HH22 ARG 16 2HH2 ARG 16 2.877 2.716 -6.276
146 H LEU 17 H LEU 17 0.809 1.502 0.693
147 HA LEU 17 HA LEU 17 -0.885 -0.635 -0.079
148 HB2 LEU 17 2HB LEU 17 1.644 -0.650 0.176
149 HB3 LEU 17 1HB LEU 17 1.382 -0.775 1.901
150 HG LEU 17 HG LEU 17 0.137 -2.903 1.506
151 HD11 LEU 17 1HD1 LEU 17 -0.513 -2.526 -0.807
152 HD12 LEU 17 2HD1 LEU 17 0.418 -4.016 -0.656
153 HD13 LEU 17 3HD1 LEU 17 1.179 -2.563 -1.303
154 HD21 LEU 17 3HD2 LEU 17 2.970 -2.842 0.475
155 HD22 LEU 17 1HD2 LEU 17 2.129 -4.242 1.140
156 HD23 LEU 17 2HD2 LEU 17 2.500 -2.861 2.174
157 H THR 18 H THR 18 -0.121 0.828 3.045
158 HA THR 18 HA THR 18 -1.502 -0.880 4.723
159 HB THR 18 HB THR 18 -1.141 2.111 4.948
160 HG1 THR 18 1HG THR 18 0.347 0.271 6.442
161 HG21 THR 18 3HG2 THR 18 -1.822 0.084 7.072
162 HG22 THR 18 1HG2 THR 18 -2.913 1.307 6.422
163 HG23 THR 18 2HG2 THR 18 -1.490 1.795 7.343
164 H ALA 19 H ALA 19 -2.724 2.347 3.854
165 HA ALA 19 HA ALA 19 -5.391 1.750 4.479
166 HB1 ALA 19 1HB ALA 19 -5.946 3.857 3.381
167 HB2 ALA 19 2HB ALA 19 -4.334 3.915 2.667
168 HB3 ALA 19 3HB ALA 19 -4.527 4.035 4.415
169 H GLY 20 H GLY 20 -3.509 0.950 1.779
170 HA2 GLY 20 2HA GLY 20 -5.578 0.818 -0.154
171 HA3 GLY 20 1HA GLY 20 -3.995 0.092 -0.299
172 H GLN 21 H GLN 21 -4.075 -1.511 1.978
173 HA GLN 21 HA GLN 21 -5.374 -3.807 0.986
174 HB2 GLN 21 2HB GLN 21 -3.377 -3.857 2.455
175 HB3 GLN 21 1HB GLN 21 -4.370 -3.299 3.793
176 HG2 GLN 21 2HG GLN 21 -4.043 -5.671 3.964
177 HG3 GLN 21 1HG GLN 21 -5.735 -5.335 3.602
178 HE21 GLN 21 1HE2 GLN 21 -2.742 -6.621 2.399
179 HE22 GLN 21 2HE2 GLN 21 -3.402 -7.408 1.009
180 H LEU 22 H LEU 22 -6.167 -1.645 3.691
181 HA LEU 22 HA LEU 22 -8.499 -2.997 4.503
182 HB2 LEU 22 2HB LEU 22 -7.546 -0.164 4.859
183 HB3 LEU 22 1HB LEU 22 -9.074 -0.714 5.510
184 HG LEU 22 HG LEU 22 -7.414 -0.747 7.252
185 HD11 LEU 22 1HD1 LEU 22 -9.077 -2.527 7.291
186 HD12 LEU 22 2HD1 LEU 22 -7.537 -3.076 7.954
187 HD13 LEU 22 3HD1 LEU 22 -8.015 -3.551 6.324
188 HD21 LEU 22 3HD2 LEU 22 -5.416 -0.895 5.871
189 HD22 LEU 22 1HD2 LEU 22 -5.818 -2.559 5.446
190 HD23 LEU 22 2HD2 LEU 22 -5.414 -2.148 7.113
191 H SER 23 H SER 23 -8.051 -0.164 2.382
192 HA SER 23 HA SER 23 -10.794 0.102 1.812
193 HB2 SER 23 2HB SER 23 -9.282 1.993 1.570
194 HB3 SER 23 1HB SER 23 -8.428 1.139 0.293
195 HG SER 23 HG SER 23 -11.116 1.323 -0.147
196 H SER 24 H SER 24 -8.844 -2.307 1.052
197 HA SER 24 HA SER 24 -9.924 -2.791 -1.610
198 HB2 SER 24 2HB SER 24 -7.495 -3.129 -1.273
199 HB3 SER 24 1HB SER 24 -7.854 -4.362 -0.069
200 HG SER 24 HG SER 24 -8.880 -5.566 -1.712
201 H GLN 25 H GLN 25 -9.743 -4.203 1.607
202 HA GLN 25 HA GLN 25 -11.274 -6.500 1.118
203 HB2 GLN 25 2HB GLN 25 -11.000 -4.919 3.685
204 HB3 GLN 25 1HB GLN 25 -11.576 -6.578 3.558
205 HG2 GLN 25 2HG GLN 25 -9.377 -7.230 2.649
206 HG3 GLN 25 1HG GLN 25 -8.817 -5.578 2.894
207 HE21 GLN 25 1HE2 GLN 25 -8.464 -4.826 4.979
208 HE22 GLN 25 2HE2 GLN 25 -8.330 -5.892 6.332
209 H LEU 26 H LEU 26 -12.158 -3.179 1.679
210 HA LEU 26 HA LEU 26 -14.944 -3.831 2.066
211 HB2 LEU 26 2HB LEU 26 -13.771 -1.084 1.773
212 HB3 LEU 26 1HB LEU 26 -15.283 -1.535 2.542
213 HG LEU 26 HG LEU 26 -12.617 -2.418 3.605
214 HD11 LEU 26 1HD1 LEU 26 -12.762 -0.564 5.199
215 HD12 LEU 26 2HD1 LEU 26 -14.189 0.044 4.360
216 HD13 LEU 26 3HD1 LEU 26 -12.628 0.019 3.540
217 HD21 LEU 26 3HD2 LEU 26 -14.596 -3.662 4.349
218 HD22 LEU 26 1HD2 LEU 26 -15.328 -2.155 4.899
219 HD23 LEU 26 2HD2 LEU 26 -13.858 -2.752 5.667
220 H ALA 27 H ALA 27 -12.811 -2.526 -0.368
221 HA ALA 27 HA ALA 27 -14.556 -1.415 -2.164
222 HB1 ALA 27 1HB ALA 27 -12.155 -1.365 -2.490
223 HB2 ALA 27 2HB ALA 27 -12.943 -2.032 -3.920
224 HB3 ALA 27 3HB ALA 27 -12.135 -3.104 -2.777
225 H GLU 28 H GLU 28 -13.755 -4.835 -1.762
226 HA GLU 28 HA GLU 28 -15.281 -5.793 -3.862
227 HB2 GLU 28 2HB GLU 28 -14.752 -7.911 -3.154
228 HB3 GLU 28 1HB GLU 28 -13.423 -6.944 -2.519
229 HG2 GLU 28 2HG GLU 28 -14.409 -6.882 -0.374
230 HG3 GLU 28 1HG GLU 28 -15.871 -7.634 -0.988
231 H LEU 29 H LEU 29 -16.084 -5.103 -0.530
232 HA LEU 29 HA LEU 29 -18.903 -5.333 -1.205
233 HB2 LEU 29 2HB LEU 29 -17.479 -7.189 0.582
234 HB3 LEU 29 1HB LEU 29 -18.969 -6.529 1.231
235 HG LEU 29 HG LEU 29 -19.830 -7.274 -1.212
236 HD11 LEU 29 1HD1 LEU 29 -18.903 -9.506 -1.693
237 HD12 LEU 29 2HD1 LEU 29 -17.653 -9.223 -0.482
238 HD13 LEU 29 3HD1 LEU 29 -17.730 -8.211 -1.925
239 HD21 LEU 29 3HD2 LEU 29 -19.618 -9.034 1.224
240 HD22 LEU 29 1HD2 LEU 29 -20.738 -9.266 -0.118
241 HD23 LEU 29 2HD2 LEU 29 -20.872 -7.836 0.904
242 H SER 30 H SER 30 -18.752 -3.048 -0.981
243 HA SER 30 HA SER 30 -17.837 -1.632 1.172
244 HB2 SER 30 2HB SER 30 -18.584 -0.563 -0.896
245 HB3 SER 30 1HB SER 30 -20.250 -1.015 -0.543
246 HG SER 30 HG SER 30 -19.178 0.294 1.547
247 H GLU 31 H GLU 31 -18.527 -1.195 3.193
248 HA GLU 31 HA GLU 31 -20.709 -2.756 4.252
249 HB2 GLU 31 2HB GLU 31 -18.908 -0.743 5.613
250 HB3 GLU 31 1HB GLU 31 -20.012 -1.839 6.425
251 HG2 GLU 31 2HG GLU 31 -17.589 -2.598 4.827
252 HG3 GLU 31 1HG GLU 31 -17.782 -2.672 6.577
253 H GLU 32 H GLU 32 -22.550 -1.929 5.313
254 HA GLU 32 HA GLU 32 -24.421 -0.637 5.402
255 HB2 GLU 32 2HB GLU 32 -22.330 1.531 5.641
256 HB3 GLU 32 1HB GLU 32 -24.038 1.739 6.009
257 HG2 GLU 32 2HG GLU 32 -22.293 -0.290 7.371
258 HG3 GLU 32 1HG GLU 32 -22.538 1.348 7.979
259 H ALA 33 H ALA 33 -25.051 -1.127 3.248
260 HA ALA 33 HA ALA 33 -25.100 1.237 1.535
261 HB1 ALA 33 1HB ALA 33 -24.496 -0.027 -0.456
262 HB2 ALA 33 2HB ALA 33 -24.264 -1.478 0.518
263 HB3 ALA 33 3HB ALA 33 -23.198 -0.090 0.736
264 H LEU 34 H LEU 34 -27.054 1.561 0.657
265 HA LEU 34 HA LEU 34 -28.823 -0.574 -0.042
266 HB2 LEU 34 2HB LEU 34 -29.164 -0.545 2.384
267 HB3 LEU 34 1HB LEU 34 -29.546 1.165 2.318
268 HG LEU 34 HG LEU 34 -31.532 0.630 0.921
269 HD11 LEU 34 1HD1 LEU 34 -30.801 -2.224 1.566
270 HD12 LEU 34 2HD1 LEU 34 -30.758 -1.473 -0.029
271 HD13 LEU 34 3HD1 LEU 34 -32.298 -1.687 0.801
272 HD21 LEU 34 3HD2 LEU 34 -31.388 -0.760 3.594
273 HD22 LEU 34 1HD2 LEU 34 -32.868 -0.300 2.752
274 HD23 LEU 34 2HD2 LEU 34 -31.754 0.944 3.321
Start of MODEL 3
1 H1 MET 1 1HT MET 1 13.434 4.357 -8.746
2 H2 MET 1 2HT MET 1 12.282 4.012 -7.556
3 H3 MET 1 3HT MET 1 11.896 5.058 -8.828
4 HA MET 1 HA MET 1 10.902 2.871 -9.124
5 HB2 MET 1 2HB MET 1 13.080 3.568 -11.104
6 HB3 MET 1 1HB MET 1 11.728 2.493 -11.428
7 HG2 MET 1 2HG MET 1 10.174 4.347 -11.061
8 HG3 MET 1 1HG MET 1 11.538 5.421 -10.759
9 HE1 MET 1 2HE MET 1 10.707 3.412 -14.833
10 HE2 MET 1 3HE MET 1 9.670 3.216 -13.420
11 HE3 MET 1 1HE MET 1 11.294 2.529 -13.425
12 H ASN 2 H ASN 2 12.216 1.925 -7.121
13 HA ASN 2 HA ASN 2 14.196 -0.016 -8.067
14 HB2 ASN 2 2HB ASN 2 13.382 0.765 -5.260
15 HB3 ASN 2 1HB ASN 2 14.633 -0.409 -5.659
16 HD21 ASN 2 1HD2 ASN 2 13.750 2.950 -5.643
17 HD22 ASN 2 2HD2 ASN 2 15.338 3.577 -5.908
18 H LYS 3 H LYS 3 14.059 -2.232 -7.113
19 HA LYS 3 HA LYS 3 11.304 -3.122 -6.656
20 HB2 LYS 3 2HB LYS 3 13.216 -4.318 -8.667
21 HB3 LYS 3 1HB LYS 3 11.701 -5.061 -8.174
22 HG2 LYS 3 2HG LYS 3 10.486 -3.102 -9.029
23 HG3 LYS 3 1HG LYS 3 12.017 -2.412 -9.572
24 HD2 LYS 3 2HD LYS 3 12.365 -4.314 -11.055
25 HD3 LYS 3 1HD LYS 3 10.865 -5.049 -10.485
26 HE2 LYS 3 2HE LYS 3 11.111 -2.416 -11.937
27 HE3 LYS 3 1HE LYS 3 10.552 -3.935 -12.637
28 HZ1 LYS 3 3HZ LYS 3 8.695 -2.528 -12.037
29 HZ2 LYS 3 1HZ LYS 3 9.229 -2.447 -10.433
30 HZ3 LYS 3 2HZ LYS 3 8.698 -3.920 -11.075
31 H LYS 4 H LYS 4 12.256 -3.117 -4.455
32 HA LYS 4 HA LYS 4 13.439 -5.737 -3.899
33 HB2 LYS 4 2HB LYS 4 15.275 -4.073 -3.923
34 HB3 LYS 4 1HB LYS 4 14.437 -3.153 -2.682
35 HG2 LYS 4 2HG LYS 4 16.200 -4.450 -1.687
36 HG3 LYS 4 1HG LYS 4 14.637 -5.074 -1.155
37 HD2 LYS 4 2HD LYS 4 14.789 -6.890 -2.762
38 HD3 LYS 4 1HD LYS 4 16.309 -6.241 -3.382
39 HE2 LYS 4 2HE LYS 4 17.350 -6.595 -1.199
40 HE3 LYS 4 1HE LYS 4 15.830 -7.229 -0.571
41 HZ1 LYS 4 3HZ LYS 4 17.336 -9.008 -1.187
42 HZ2 LYS 4 1HZ LYS 4 17.427 -8.423 -2.772
43 HZ3 LYS 4 2HZ LYS 4 15.966 -9.032 -2.178
44 H ASN 5 H ASN 5 13.032 -6.524 -1.766
45 HA ASN 5 HA ASN 5 10.471 -6.177 -0.818
46 HB2 ASN 5 2HB ASN 5 11.836 -8.100 -0.213
47 HB3 ASN 5 1HB ASN 5 12.920 -7.071 0.716
48 HD21 ASN 5 1HD2 ASN 5 12.571 -8.189 2.613
49 HD22 ASN 5 2HD2 ASN 5 11.087 -8.090 3.491
50 H ILE 6 H ILE 6 13.342 -5.065 0.983
51 HA ILE 6 HA ILE 6 11.780 -3.233 2.539
52 HB ILE 6 HB ILE 6 14.787 -3.424 2.340
53 HG12 ILE 6 2HG1 ILE 6 12.952 -4.752 4.346
54 HG13 ILE 6 1HG1 ILE 6 13.651 -5.578 2.957
55 HG21 ILE 6 1HG2 ILE 6 14.725 -2.413 4.588
56 HG22 ILE 6 2HG2 ILE 6 12.976 -2.243 4.439
57 HG23 ILE 6 3HG2 ILE 6 14.043 -1.360 3.348
58 HD11 ILE 6 3HD1 ILE 6 15.885 -5.163 3.830
59 HD12 ILE 6 1HD1 ILE 6 14.893 -6.040 4.994
60 HD13 ILE 6 2HD1 ILE 6 15.193 -4.316 5.213
61 H LEU 7 H LEU 7 11.703 -1.019 2.429
62 HA LEU 7 HA LEU 7 12.688 0.159 -0.073
63 HB2 LEU 7 2HB LEU 7 10.357 0.701 1.697
64 HB3 LEU 7 1HB LEU 7 11.038 2.047 0.804
65 HG LEU 7 HG LEU 7 10.279 -0.484 -0.606
66 HD11 LEU 7 1HD1 LEU 7 8.083 0.499 -1.070
67 HD12 LEU 7 2HD1 LEU 7 8.451 1.826 0.033
68 HD13 LEU 7 3HD1 LEU 7 8.304 0.180 0.650
69 HD21 LEU 7 3HD2 LEU 7 10.477 2.397 -1.455
70 HD22 LEU 7 1HD2 LEU 7 9.983 1.059 -2.492
71 HD23 LEU 7 2HD2 LEU 7 11.620 1.109 -1.837
72 HA PRO 8 HA PRO 8 15.510 2.770 2.076
73 HB2 PRO 8 2HB PRO 8 15.660 4.895 0.464
74 HB3 PRO 8 1HB PRO 8 16.305 3.315 0.005
75 HG2 PRO 8 2HG PRO 8 13.735 4.607 -0.765
76 HG3 PRO 8 1HG PRO 8 14.872 3.686 -1.755
77 HD2 PRO 8 2HD PRO 8 12.568 2.643 -0.724
78 HD3 PRO 8 1HD PRO 8 14.004 1.673 -1.105
79 H GLN 9 H GLN 9 15.289 5.689 1.659
80 HA GLN 9 HA GLN 9 13.812 6.301 3.987
81 HB2 GLN 9 2HB GLN 9 15.091 8.094 1.930
82 HB3 GLN 9 1HB GLN 9 14.416 8.655 3.448
83 HG2 GLN 9 2HG GLN 9 16.041 7.394 4.696
84 HG3 GLN 9 1HG GLN 9 16.671 6.683 3.211
85 HE21 GLN 9 1HE2 GLN 9 18.735 7.468 3.568
86 HE22 GLN 9 2HE2 GLN 9 19.134 9.140 3.398
87 H GLN 10 H GLN 10 12.731 5.526 1.141
88 HA GLN 10 HA GLN 10 10.805 7.552 0.574
89 HB2 GLN 10 2HB GLN 10 11.042 4.694 -0.372
90 HB3 GLN 10 1HB GLN 10 9.841 5.829 -0.973
91 HG2 GLN 10 2HG GLN 10 11.534 7.234 -1.898
92 HG3 GLN 10 1HG GLN 10 12.808 6.289 -1.131
93 HE21 GLN 10 1HE2 GLN 10 10.003 4.829 -2.597
94 HE22 GLN 10 2HE2 GLN 10 10.828 4.125 -3.941
95 H GLY 11 H GLY 11 9.786 4.205 0.942
96 HA2 GLY 11 2HA GLY 11 8.178 3.235 2.270
97 HA3 GLY 11 1HA GLY 11 8.448 4.534 3.416
98 H GLN 12 H GLN 12 7.734 5.788 0.428
99 HA GLN 12 HA GLN 12 5.364 6.971 1.212
100 HB2 GLN 12 2HB GLN 12 7.024 6.870 -1.144
101 HB3 GLN 12 1HB GLN 12 5.324 6.973 -1.548
102 HG2 GLN 12 2HG GLN 12 5.111 8.968 -0.149
103 HG3 GLN 12 1HG GLN 12 6.826 8.856 0.247
104 HE21 GLN 12 1HE2 GLN 12 5.340 11.000 -1.069
105 HE22 GLN 12 2HE2 GLN 12 6.104 11.240 -2.600
106 HA PRO 13 HA PRO 13 3.036 3.660 -1.392
107 HB2 PRO 13 2HB PRO 13 4.897 1.461 -1.826
108 HB3 PRO 13 1HB PRO 13 4.031 2.430 -3.020
109 HG2 PRO 13 2HG PRO 13 6.720 2.576 -2.698
110 HG3 PRO 13 1HG PRO 13 5.741 3.964 -3.212
111 HD2 PRO 13 2HD PRO 13 6.781 3.298 -0.471
112 HD3 PRO 13 1HD PRO 13 6.791 4.867 -1.312
113 H VAL 14 H VAL 14 5.005 3.130 1.278
114 HA VAL 14 HA VAL 14 3.829 0.625 2.092
115 HB VAL 14 HB VAL 14 5.416 2.598 3.754
116 HG11 VAL 14 1HG1 VAL 14 4.784 -0.320 4.178
117 HG12 VAL 14 2HG1 VAL 14 4.152 1.039 5.109
118 HG13 VAL 14 3HG1 VAL 14 5.869 0.644 5.181
119 HG21 VAL 14 3HG2 VAL 14 7.350 1.157 3.300
120 HG22 VAL 14 1HG2 VAL 14 6.712 1.884 1.825
121 HG23 VAL 14 2HG2 VAL 14 6.366 0.196 2.196
122 H ILE 15 H ILE 15 3.121 3.971 2.300
123 HA ILE 15 HA ILE 15 1.231 3.679 4.489
124 HB ILE 15 HB ILE 15 1.749 6.109 2.776
125 HG12 ILE 15 2HG1 ILE 15 3.827 5.234 3.845
126 HG13 ILE 15 1HG1 ILE 15 3.368 6.833 4.405
127 HG21 ILE 15 1HG2 ILE 15 0.896 7.319 4.761
128 HG22 ILE 15 2HG2 ILE 15 0.526 5.766 5.511
129 HG23 ILE 15 3HG2 ILE 15 -0.301 6.249 4.031
130 HD11 ILE 15 3HD1 ILE 15 4.156 5.405 6.223
131 HD12 ILE 15 1HD1 ILE 15 2.863 4.258 5.876
132 HD13 ILE 15 2HD1 ILE 15 2.472 5.878 6.450
133 H ARG 16 H ARG 16 1.356 3.732 1.081
134 HA ARG 16 HA ARG 16 -1.463 4.215 0.680
135 HB2 ARG 16 2HB ARG 16 0.234 3.025 -1.450
136 HB3 ARG 16 1HB ARG 16 -0.986 4.282 -1.568
137 HG2 ARG 16 2HG ARG 16 0.582 5.840 -0.456
138 HG3 ARG 16 1HG ARG 16 1.804 4.566 -0.514
139 HD2 ARG 16 2HD ARG 16 0.406 5.808 -2.876
140 HD3 ARG 16 1HD ARG 16 2.070 6.120 -2.378
141 HE ARG 16 HE ARG 16 1.621 3.348 -2.827
142 HH11 ARG 16 1HH1 ARG 16 2.152 6.372 -4.476
143 HH12 ARG 16 2HH1 ARG 16 2.851 5.633 -5.877
144 HH21 ARG 16 1HH2 ARG 16 2.544 2.368 -4.664
145 HH22 ARG 16 2HH2 ARG 16 3.075 3.356 -5.983
146 H LEU 17 H LEU 17 0.818 1.595 0.643
147 HA LEU 17 HA LEU 17 -0.925 -0.479 -0.156
148 HB2 LEU 17 2HB LEU 17 1.580 -0.596 -0.106
149 HB3 LEU 17 1HB LEU 17 1.492 -0.703 1.640
150 HG LEU 17 HG LEU 17 0.143 -2.807 1.363
151 HD11 LEU 17 1HD1 LEU 17 0.252 -3.953 -0.786
152 HD12 LEU 17 2HD1 LEU 17 1.047 -2.550 -1.501
153 HD13 LEU 17 3HD1 LEU 17 -0.615 -2.423 -0.925
154 HD21 LEU 17 3HD2 LEU 17 2.514 -2.857 1.919
155 HD22 LEU 17 1HD2 LEU 17 2.928 -2.787 0.206
156 HD23 LEU 17 2HD2 LEU 17 2.089 -4.197 0.854
157 H THR 18 H THR 18 -0.057 0.805 3.020
158 HA THR 18 HA THR 18 -1.348 -1.074 4.617
159 HB THR 18 HB THR 18 -0.872 1.873 5.077
160 HG1 THR 18 1HG THR 18 0.733 -0.293 5.091
161 HG21 THR 18 3HG2 THR 18 -1.166 1.390 7.452
162 HG22 THR 18 1HG2 THR 18 -1.593 -0.276 7.064
163 HG23 THR 18 2HG2 THR 18 -2.638 1.047 6.544
164 H ALA 19 H ALA 19 -2.541 2.236 4.074
165 HA ALA 19 HA ALA 19 -5.194 1.613 4.769
166 HB1 ALA 19 1HB ALA 19 -5.762 3.819 3.897
167 HB2 ALA 19 2HB ALA 19 -4.181 3.924 3.120
168 HB3 ALA 19 3HB ALA 19 -4.298 3.886 4.880
169 H GLY 20 H GLY 20 -3.425 0.962 1.980
170 HA2 GLY 20 2HA GLY 20 -5.524 1.066 0.083
171 HA3 GLY 20 1HA GLY 20 -3.985 0.263 -0.134
172 H GLN 21 H GLN 21 -4.040 -1.517 1.932
173 HA GLN 21 HA GLN 21 -5.480 -3.664 0.870
174 HB2 GLN 21 2HB GLN 21 -3.470 -3.804 2.381
175 HB3 GLN 21 1HB GLN 21 -4.531 -3.420 3.729
176 HG2 GLN 21 2HG GLN 21 -5.818 -5.436 3.318
177 HG3 GLN 21 1HG GLN 21 -4.808 -5.813 1.924
178 HE21 GLN 21 1HE2 GLN 21 -3.567 -4.457 4.895
179 HE22 GLN 21 2HE2 GLN 21 -2.690 -5.857 5.396
180 H LEU 22 H LEU 22 -6.213 -1.502 3.567
181 HA LEU 22 HA LEU 22 -8.587 -2.810 4.382
182 HB2 LEU 22 2HB LEU 22 -7.507 -0.034 4.791
183 HB3 LEU 22 1HB LEU 22 -9.076 -0.505 5.410
184 HG LEU 22 HG LEU 22 -7.932 -2.341 6.690
185 HD11 LEU 22 1HD1 LEU 22 -5.897 -2.486 5.355
186 HD12 LEU 22 2HD1 LEU 22 -5.524 -2.151 7.046
187 HD13 LEU 22 3HD1 LEU 22 -5.446 -0.855 5.851
188 HD21 LEU 22 3HD2 LEU 22 -8.611 -0.260 7.755
189 HD22 LEU 22 1HD2 LEU 22 -7.087 0.493 7.284
190 HD23 LEU 22 2HD2 LEU 22 -7.092 -0.845 8.434
191 H SER 23 H SER 23 -8.032 0.072 2.360
192 HA SER 23 HA SER 23 -10.757 0.418 1.742
193 HB2 SER 23 2HB SER 23 -9.185 2.278 1.605
194 HB3 SER 23 1HB SER 23 -8.339 1.452 0.304
195 HG SER 23 HG SER 23 -11.076 1.927 0.022
196 H SER 24 H SER 24 -8.840 -2.003 0.933
197 HA SER 24 HA SER 24 -9.834 -2.360 -1.780
198 HB2 SER 24 2HB SER 24 -7.429 -2.807 -1.303
199 HB3 SER 24 1HB SER 24 -7.922 -4.098 -0.213
200 HG SER 24 HG SER 24 -9.141 -4.817 -2.244
201 H GLN 25 H GLN 25 -9.927 -3.783 1.415
202 HA GLN 25 HA GLN 25 -11.449 -6.062 0.831
203 HB2 GLN 25 2HB GLN 25 -11.224 -4.413 3.353
204 HB3 GLN 25 1HB GLN 25 -12.087 -5.944 3.270
205 HG2 GLN 25 2HG GLN 25 -9.166 -5.569 2.654
206 HG3 GLN 25 1HG GLN 25 -9.816 -6.166 4.180
207 HE21 GLN 25 1HE2 GLN 25 -8.023 -7.451 2.267
208 HE22 GLN 25 2HE2 GLN 25 -8.797 -8.925 1.805
209 H LEU 26 H LEU 26 -12.308 -2.722 1.129
210 HA LEU 26 HA LEU 26 -15.100 -3.160 1.514
211 HB2 LEU 26 2HB LEU 26 -13.814 -0.644 0.492
212 HB3 LEU 26 1HB LEU 26 -15.336 -0.804 1.349
213 HG LEU 26 HG LEU 26 -12.696 -1.483 2.608
214 HD11 LEU 26 1HD1 LEU 26 -12.760 0.722 3.666
215 HD12 LEU 26 2HD1 LEU 26 -14.181 1.141 2.708
216 HD13 LEU 26 3HD1 LEU 26 -12.633 0.854 1.912
217 HD21 LEU 26 3HD2 LEU 26 -14.656 -2.440 3.680
218 HD22 LEU 26 1HD2 LEU 26 -15.412 -0.848 3.752
219 HD23 LEU 26 2HD2 LEU 26 -13.955 -1.177 4.690
220 H ALA 27 H ALA 27 -12.963 -2.587 -1.196
221 HA ALA 27 HA ALA 27 -14.741 -1.955 -3.199
222 HB1 ALA 27 1HB ALA 27 -13.105 -2.853 -4.763
223 HB2 ALA 27 2HB ALA 27 -12.303 -3.711 -3.448
224 HB3 ALA 27 3HB ALA 27 -12.309 -1.947 -3.477
225 H GLU 28 H GLU 28 -14.412 -4.930 -1.522
226 HA GLU 28 HA GLU 28 -16.052 -6.280 -3.453
227 HB2 GLU 28 2HB GLU 28 -15.307 -8.336 -1.999
228 HB3 GLU 28 1HB GLU 28 -14.292 -7.698 -3.292
229 HG2 GLU 28 2HG GLU 28 -13.230 -6.247 -1.588
230 HG3 GLU 28 1HG GLU 28 -14.086 -7.170 -0.364
231 H LEU 29 H LEU 29 -15.630 -5.784 -0.003
232 HA LEU 29 HA LEU 29 -18.489 -6.352 0.370
233 HB2 LEU 29 2HB LEU 29 -16.140 -7.322 1.950
234 HB3 LEU 29 1HB LEU 29 -17.669 -7.059 2.761
235 HG LEU 29 HG LEU 29 -17.468 -9.386 2.199
236 HD11 LEU 29 1HD1 LEU 29 -19.481 -9.714 0.865
237 HD12 LEU 29 2HD1 LEU 29 -19.417 -8.030 0.345
238 HD13 LEU 29 3HD1 LEU 29 -19.696 -8.419 2.042
239 HD21 LEU 29 3HD2 LEU 29 -17.243 -8.608 -0.698
240 HD22 LEU 29 1HD2 LEU 29 -17.120 -10.221 0.002
241 HD23 LEU 29 2HD2 LEU 29 -15.860 -9.026 0.313
242 H SER 30 H SER 30 -18.136 -3.890 -0.099
243 HA SER 30 HA SER 30 -17.072 -2.128 1.675
244 HB2 SER 30 2HB SER 30 -18.055 -1.453 -0.468
245 HB3 SER 30 1HB SER 30 -19.666 -1.802 0.156
246 HG SER 30 HG SER 30 -18.918 -0.212 1.896
247 H GLU 31 H GLU 31 -17.434 -1.597 3.732
248 HA GLU 31 HA GLU 31 -19.928 -2.524 4.988
249 HB2 GLU 31 2HB GLU 31 -17.272 -1.848 6.272
250 HB3 GLU 31 1HB GLU 31 -18.702 -2.427 7.115
251 HG2 GLU 31 2HG GLU 31 -18.580 -4.536 6.050
252 HG3 GLU 31 1HG GLU 31 -17.305 -3.984 4.965
253 H GLU 32 H GLU 32 -17.751 0.234 4.674
254 HA GLU 32 HA GLU 32 -19.174 1.971 6.401
255 HB2 GLU 32 2HB GLU 32 -17.359 2.657 4.081
256 HB3 GLU 32 1HB GLU 32 -17.870 3.764 5.347
257 HG2 GLU 32 2HG GLU 32 -16.706 2.414 7.009
258 HG3 GLU 32 1HG GLU 32 -16.208 1.286 5.750
259 H ALA 33 H ALA 33 -20.204 4.032 5.606
260 HA ALA 33 HA ALA 33 -21.491 3.946 3.029
261 HB1 ALA 33 1HB ALA 33 -22.908 2.418 4.315
262 HB2 ALA 33 2HB ALA 33 -23.776 3.886 3.865
263 HB3 ALA 33 3HB ALA 33 -23.181 3.684 5.513
264 H LEU 34 H LEU 34 -21.864 5.952 2.323
265 HA LEU 34 HA LEU 34 -21.197 8.185 3.994
266 HB2 LEU 34 2HB LEU 34 -20.572 8.155 1.639
267 HB3 LEU 34 1HB LEU 34 -22.259 8.062 1.169
268 HG LEU 34 HG LEU 34 -22.618 10.312 2.178
269 HD11 LEU 34 1HD1 LEU 34 -20.778 10.286 3.775
270 HD12 LEU 34 2HD1 LEU 34 -20.673 11.686 2.708
271 HD13 LEU 34 3HD1 LEU 34 -19.616 10.299 2.449
272 HD21 LEU 34 3HD2 LEU 34 -22.220 10.047 -0.218
273 HD22 LEU 34 1HD2 LEU 34 -20.481 10.166 0.054
274 HD23 LEU 34 2HD2 LEU 34 -21.522 11.550 0.385
Start of MODEL 4
1 H1 MET 1 1HT MET 1 -1.402 21.454 6.927
2 H2 MET 1 2HT MET 1 -2.461 20.848 5.756
3 H3 MET 1 3HT MET 1 -1.326 22.031 5.337
4 HA MET 1 HA MET 1 -0.664 19.298 6.264
5 HB2 MET 1 2HB MET 1 -0.581 20.474 3.477
6 HB3 MET 1 1HB MET 1 -0.002 18.876 3.927
7 HG2 MET 1 2HG MET 1 -2.264 18.226 4.558
8 HG3 MET 1 1HG MET 1 -2.849 19.831 4.128
9 HE1 MET 1 2HE MET 1 -4.117 17.146 2.995
10 HE2 MET 1 3HE MET 1 -4.325 17.560 1.292
11 HE3 MET 1 1HE MET 1 -4.696 18.750 2.540
12 H ASN 2 H ASN 2 1.053 19.764 7.547
13 HA ASN 2 HA ASN 2 3.313 21.135 6.256
14 HB2 ASN 2 2HB ASN 2 3.924 22.031 8.524
15 HB3 ASN 2 1HB ASN 2 2.451 22.713 7.841
16 HD21 ASN 2 1HD2 ASN 2 1.685 23.308 9.860
17 HD22 ASN 2 2HD2 ASN 2 1.078 22.155 10.995
18 H LYS 3 H LYS 3 5.410 20.663 7.444
19 HA LYS 3 HA LYS 3 6.983 19.001 7.657
20 HB2 LYS 3 2HB LYS 3 6.897 17.950 9.876
21 HB3 LYS 3 1HB LYS 3 6.534 19.668 9.949
22 HG2 LYS 3 2HG LYS 3 4.136 19.132 10.079
23 HG3 LYS 3 1HG LYS 3 4.540 17.414 10.073
24 HD2 LYS 3 2HD LYS 3 5.810 17.701 12.140
25 HD3 LYS 3 1HD LYS 3 5.434 19.426 12.140
26 HE2 LYS 3 2HE LYS 3 3.045 18.892 12.306
27 HE3 LYS 3 1HE LYS 3 3.435 17.173 12.330
28 HZ1 LYS 3 3HZ LYS 3 4.289 19.166 14.360
29 HZ2 LYS 3 1HZ LYS 3 4.658 17.515 14.385
30 HZ3 LYS 3 2HZ LYS 3 3.055 18.027 14.556
31 H LYS 4 H LYS 4 5.240 18.149 5.761
32 HA LYS 4 HA LYS 4 4.480 15.411 6.421
33 HB2 LYS 4 2HB LYS 4 2.864 16.780 5.196
34 HB3 LYS 4 1HB LYS 4 4.038 17.040 3.912
35 HG2 LYS 4 2HG LYS 4 2.431 15.377 3.239
36 HG3 LYS 4 1HG LYS 4 4.019 14.632 3.428
37 HD2 LYS 4 2HD LYS 4 3.376 13.766 5.608
38 HD3 LYS 4 1HD LYS 4 1.808 14.566 5.481
39 HE2 LYS 4 2HE LYS 4 1.633 12.193 4.939
40 HE3 LYS 4 1HE LYS 4 1.257 13.195 3.539
41 HZ1 LYS 4 3HZ LYS 4 3.488 12.800 2.701
42 HZ2 LYS 4 1HZ LYS 4 2.673 11.337 2.939
43 HZ3 LYS 4 2HZ LYS 4 3.851 11.839 4.044
44 H ASN 5 H ASN 5 6.526 14.456 6.604
45 HA ASN 5 HA ASN 5 7.675 13.659 4.073
46 HB2 ASN 5 2HB ASN 5 8.871 15.777 4.675
47 HB3 ASN 5 1HB ASN 5 9.440 14.988 6.141
48 HD21 ASN 5 1HD2 ASN 5 10.921 16.086 3.875
49 HD22 ASN 5 2HD2 ASN 5 11.892 14.791 3.271
50 H ILE 6 H ILE 6 6.792 11.652 4.832
51 HA ILE 6 HA ILE 6 8.142 10.443 7.132
52 HB ILE 6 HB ILE 6 5.874 9.292 5.504
53 HG12 ILE 6 2HG1 ILE 6 5.731 10.807 8.123
54 HG13 ILE 6 1HG1 ILE 6 5.256 11.459 6.558
55 HG21 ILE 6 1HG2 ILE 6 5.546 7.871 7.482
56 HG22 ILE 6 2HG2 ILE 6 6.965 8.603 8.228
57 HG23 ILE 6 3HG2 ILE 6 7.137 7.647 6.757
58 HD11 ILE 6 3HD1 ILE 6 3.528 9.727 6.381
59 HD12 ILE 6 1HD1 ILE 6 3.315 10.751 7.803
60 HD13 ILE 6 2HD1 ILE 6 3.987 9.129 7.977
61 H LEU 7 H LEU 7 10.174 10.101 6.163
62 HA LEU 7 HA LEU 7 11.775 8.879 5.122
63 HB2 LEU 7 2HB LEU 7 9.481 6.950 4.822
64 HB3 LEU 7 1HB LEU 7 11.103 6.584 4.272
65 HG LEU 7 HG LEU 7 11.855 7.012 6.673
66 HD11 LEU 7 1HD1 LEU 7 10.146 6.730 8.395
67 HD12 LEU 7 2HD1 LEU 7 8.892 6.736 7.155
68 HD13 LEU 7 3HD1 LEU 7 9.860 8.183 7.439
69 HD21 LEU 7 3HD2 LEU 7 11.749 4.790 5.711
70 HD22 LEU 7 1HD2 LEU 7 10.023 4.696 6.063
71 HD23 LEU 7 2HD2 LEU 7 11.191 4.755 7.384
72 HA PRO 8 HA PRO 8 11.798 9.954 0.845
73 HB2 PRO 8 2HB PRO 8 13.226 7.401 0.357
74 HB3 PRO 8 1HB PRO 8 13.703 9.049 -0.062
75 HG2 PRO 8 2HG PRO 8 14.884 7.826 1.932
76 HG3 PRO 8 1HG PRO 8 14.386 9.518 2.124
77 HD2 PRO 8 2HD PRO 8 13.025 7.025 3.102
78 HD3 PRO 8 1HD PRO 8 13.350 8.540 3.960
79 H GLN 9 H GLN 9 12.026 8.048 -1.302
80 HA GLN 9 HA GLN 9 9.293 7.512 -1.748
81 HB2 GLN 9 2HB GLN 9 11.757 6.675 -3.269
82 HB3 GLN 9 1HB GLN 9 10.118 6.421 -3.839
83 HG2 GLN 9 2HG GLN 9 9.729 8.772 -3.995
84 HG3 GLN 9 1HG GLN 9 11.268 9.124 -3.210
85 HE21 GLN 9 1HE2 GLN 9 13.180 8.869 -4.364
86 HE22 GLN 9 2HE2 GLN 9 13.204 8.740 -6.086
87 H GLN 10 H GLN 10 11.265 6.033 0.204
88 HA GLN 10 HA GLN 10 10.636 3.279 -0.411
89 HB2 GLN 10 2HB GLN 10 12.146 4.478 1.915
90 HB3 GLN 10 1HB GLN 10 11.989 2.758 1.588
91 HG2 GLN 10 2HG GLN 10 13.205 3.008 -0.488
92 HG3 GLN 10 1HG GLN 10 13.300 4.751 -0.245
93 HE21 GLN 10 1HE2 GLN 10 15.423 2.752 -0.540
94 HE22 GLN 10 2HE2 GLN 10 16.409 2.901 0.871
95 H GLY 11 H GLY 11 9.695 5.772 1.873
96 HA2 GLY 11 2HA GLY 11 7.922 3.893 3.252
97 HA3 GLY 11 1HA GLY 11 8.333 5.507 3.800
98 H GLN 12 H GLN 12 7.729 5.785 0.613
99 HA GLN 12 HA GLN 12 5.278 7.100 0.997
100 HB2 GLN 12 2HB GLN 12 7.201 6.722 -1.135
101 HB3 GLN 12 1HB GLN 12 5.550 6.779 -1.713
102 HG2 GLN 12 2HG GLN 12 5.245 8.917 -0.503
103 HG3 GLN 12 1HG GLN 12 6.950 8.855 -0.057
104 HE21 GLN 12 1HE2 GLN 12 7.415 10.766 -1.133
105 HE22 GLN 12 2HE2 GLN 12 7.469 10.870 -2.856
106 HA PRO 13 HA PRO 13 3.357 3.378 -1.369
107 HB2 PRO 13 2HB PRO 13 5.309 1.229 -1.370
108 HB3 PRO 13 1HB PRO 13 4.570 2.048 -2.748
109 HG2 PRO 13 2HG PRO 13 7.206 2.302 -2.119
110 HG3 PRO 13 1HG PRO 13 6.274 3.582 -2.920
111 HD2 PRO 13 2HD PRO 13 6.988 3.299 -0.016
112 HD3 PRO 13 1HD PRO 13 7.054 4.752 -1.040
113 H VAL 14 H VAL 14 5.110 3.236 1.500
114 HA VAL 14 HA VAL 14 3.979 0.788 2.509
115 HB VAL 14 HB VAL 14 5.288 3.007 4.093
116 HG11 VAL 14 1HG1 VAL 14 5.804 1.207 5.683
117 HG12 VAL 14 2HG1 VAL 14 4.909 0.072 4.673
118 HG13 VAL 14 3HG1 VAL 14 4.067 1.411 5.453
119 HG21 VAL 14 3HG2 VAL 14 7.375 1.725 3.874
120 HG22 VAL 14 1HG2 VAL 14 6.791 2.311 2.316
121 HG23 VAL 14 2HG2 VAL 14 6.566 0.620 2.764
122 H ILE 15 H ILE 15 3.005 4.032 2.182
123 HA ILE 15 HA ILE 15 0.979 3.845 4.270
124 HB ILE 15 HB ILE 15 1.675 6.149 2.460
125 HG12 ILE 15 2HG1 ILE 15 2.490 5.367 5.248
126 HG13 ILE 15 1HG1 ILE 15 3.510 5.853 3.900
127 HG21 ILE 15 1HG2 ILE 15 0.258 7.487 3.918
128 HG22 ILE 15 2HG2 ILE 15 -0.127 6.059 4.879
129 HG23 ILE 15 3HG2 ILE 15 -0.668 6.167 3.205
130 HD11 ILE 15 3HD1 ILE 15 3.504 7.602 5.500
131 HD12 ILE 15 1HD1 ILE 15 1.743 7.596 5.580
132 HD13 ILE 15 2HD1 ILE 15 2.557 8.141 4.113
133 H ARG 16 H ARG 16 1.408 3.743 0.869
134 HA ARG 16 HA ARG 16 -1.349 4.050 0.144
135 HB2 ARG 16 2HB ARG 16 0.579 2.644 -1.637
136 HB3 ARG 16 1HB ARG 16 -0.646 3.835 -2.041
137 HG2 ARG 16 2HG ARG 16 0.765 5.567 -0.965
138 HG3 ARG 16 1HG ARG 16 2.013 4.332 -0.759
139 HD2 ARG 16 2HD ARG 16 0.826 5.225 -3.381
140 HD3 ARG 16 1HD ARG 16 2.405 5.702 -2.758
141 HE ARG 16 HE ARG 16 2.089 2.862 -2.947
142 HH11 ARG 16 1HH1 ARG 16 2.897 5.744 -4.737
143 HH12 ARG 16 2HH1 ARG 16 3.840 4.898 -5.918
144 HH21 ARG 16 1HH2 ARG 16 3.325 1.745 -4.495
145 HH22 ARG 16 2HH2 ARG 16 4.084 2.624 -5.779
146 H LEU 17 H LEU 17 0.921 1.434 0.526
147 HA LEU 17 HA LEU 17 -0.765 -0.702 -0.206
148 HB2 LEU 17 2HB LEU 17 1.745 -0.740 0.115
149 HB3 LEU 17 1HB LEU 17 1.449 -0.809 1.838
150 HG LEU 17 HG LEU 17 0.230 -2.944 1.520
151 HD11 LEU 17 1HD1 LEU 17 -0.482 -2.649 -0.785
152 HD12 LEU 17 2HD1 LEU 17 0.464 -4.128 -0.616
153 HD13 LEU 17 3HD1 LEU 17 1.195 -2.689 -1.326
154 HD21 LEU 17 3HD2 LEU 17 2.604 -2.900 2.130
155 HD22 LEU 17 1HD2 LEU 17 3.038 -2.920 0.420
156 HD23 LEU 17 2HD2 LEU 17 2.209 -4.302 1.137
157 H THR 18 H THR 18 -0.093 0.774 2.938
158 HA THR 18 HA THR 18 -1.555 -0.922 4.567
159 HB THR 18 HB THR 18 -1.177 2.063 4.836
160 HG1 THR 18 1HG THR 18 0.311 0.023 6.133
161 HG21 THR 18 3HG2 THR 18 -1.521 1.677 7.230
162 HG22 THR 18 1HG2 THR 18 -1.874 -0.019 6.901
163 HG23 THR 18 2HG2 THR 18 -2.946 1.240 6.289
164 H ALA 19 H ALA 19 -2.671 2.322 3.609
165 HA ALA 19 HA ALA 19 -5.368 1.823 4.191
166 HB1 ALA 19 1HB ALA 19 -5.834 3.904 3.002
167 HB2 ALA 19 2HB ALA 19 -4.207 3.886 2.322
168 HB3 ALA 19 3HB ALA 19 -4.435 4.081 4.061
169 H GLY 20 H GLY 20 -3.440 0.881 1.576
170 HA2 GLY 20 2HA GLY 20 -5.458 0.727 -0.409
171 HA3 GLY 20 1HA GLY 20 -3.891 -0.046 -0.481
172 H GLN 21 H GLN 21 -4.008 -1.603 1.768
173 HA GLN 21 HA GLN 21 -5.399 -3.872 0.849
174 HB2 GLN 21 2HB GLN 21 -3.372 -3.927 2.296
175 HB3 GLN 21 1HB GLN 21 -4.350 -3.350 3.637
176 HG2 GLN 21 2HG GLN 21 -5.710 -5.361 3.537
177 HG3 GLN 21 1HG GLN 21 -4.776 -5.936 2.156
178 HE21 GLN 21 1HE2 GLN 21 -2.259 -4.932 3.257
179 HE22 GLN 21 2HE2 GLN 21 -1.825 -6.023 4.524
180 H LEU 22 H LEU 22 -6.103 -1.546 3.416
181 HA LEU 22 HA LEU 22 -8.431 -2.818 4.380
182 HB2 LEU 22 2HB LEU 22 -7.619 0.087 4.506
183 HB3 LEU 22 1HB LEU 22 -8.902 -0.644 5.444
184 HG LEU 22 HG LEU 22 -5.996 -1.427 5.638
185 HD11 LEU 22 1HD1 LEU 22 -7.664 0.307 7.455
186 HD12 LEU 22 2HD1 LEU 22 -6.335 0.848 6.429
187 HD13 LEU 22 3HD1 LEU 22 -6.020 -0.244 7.778
188 HD21 LEU 22 3HD2 LEU 22 -8.393 -2.160 7.316
189 HD22 LEU 22 1HD2 LEU 22 -6.721 -2.590 7.676
190 HD23 LEU 22 2HD2 LEU 22 -7.506 -3.232 6.233
191 H SER 23 H SER 23 -8.009 -0.069 2.145
192 HA SER 23 HA SER 23 -10.760 0.194 1.619
193 HB2 SER 23 2HB SER 23 -9.227 2.061 1.286
194 HB3 SER 23 1HB SER 23 -8.420 1.159 0.011
195 HG SER 23 HG SER 23 -10.323 2.790 -0.378
196 H SER 24 H SER 24 -8.832 -2.251 0.897
197 HA SER 24 HA SER 24 -9.940 -2.807 -1.736
198 HB2 SER 24 2HB SER 24 -7.512 -3.184 -1.361
199 HB3 SER 24 1HB SER 24 -7.919 -4.392 -0.146
200 HG SER 24 HG SER 24 -8.527 -4.477 -2.914
201 H GLN 25 H GLN 25 -9.808 -4.113 1.527
202 HA GLN 25 HA GLN 25 -11.395 -6.388 1.077
203 HB2 GLN 25 2HB GLN 25 -10.886 -4.771 3.576
204 HB3 GLN 25 1HB GLN 25 -11.778 -6.287 3.569
205 HG2 GLN 25 2HG GLN 25 -9.800 -7.430 2.675
206 HG3 GLN 25 1HG GLN 25 -8.911 -5.909 2.732
207 HE21 GLN 25 1HE2 GLN 25 -7.385 -6.728 4.152
208 HE22 GLN 25 2HE2 GLN 25 -7.738 -7.029 5.817
209 H LEU 26 H LEU 26 -12.175 -3.043 1.740
210 HA LEU 26 HA LEU 26 -14.956 -3.553 2.187
211 HB2 LEU 26 2HB LEU 26 -13.713 -0.891 1.568
212 HB3 LEU 26 1HB LEU 26 -15.193 -1.210 2.454
213 HG LEU 26 HG LEU 26 -12.507 -2.087 3.467
214 HD11 LEU 26 1HD1 LEU 26 -13.940 0.500 4.063
215 HD12 LEU 26 2HD1 LEU 26 -12.446 0.338 3.143
216 HD13 LEU 26 3HD1 LEU 26 -12.475 -0.079 4.856
217 HD21 LEU 26 3HD2 LEU 26 -15.143 -1.587 4.844
218 HD22 LEU 26 1HD2 LEU 26 -13.657 -2.141 5.614
219 HD23 LEU 26 2HD2 LEU 26 -14.476 -3.167 4.436
220 H ALA 27 H ALA 27 -12.903 -2.563 -0.455
221 HA ALA 27 HA ALA 27 -14.718 -1.568 -2.260
222 HB1 ALA 27 1HB ALA 27 -12.360 -3.339 -2.886
223 HB2 ALA 27 2HB ALA 27 -12.298 -1.595 -2.629
224 HB3 ALA 27 3HB ALA 27 -13.174 -2.253 -4.013
225 H GLU 28 H GLU 28 -13.967 -4.955 -1.574
226 HA GLU 28 HA GLU 28 -15.662 -5.976 -3.560
227 HB2 GLU 28 2HB GLU 28 -14.937 -8.054 -2.975
228 HB3 GLU 28 1HB GLU 28 -13.600 -7.053 -2.416
229 HG2 GLU 28 2HG GLU 28 -14.412 -7.100 -0.195
230 HG3 GLU 28 1HG GLU 28 -15.888 -7.896 -0.716
231 H LEU 29 H LEU 29 -16.091 -5.080 -0.247
232 HA LEU 29 HA LEU 29 -18.933 -5.677 -0.497
233 HB2 LEU 29 2HB LEU 29 -17.212 -7.327 0.959
234 HB3 LEU 29 1HB LEU 29 -18.005 -6.334 2.166
235 HG LEU 29 HG LEU 29 -19.204 -8.426 1.847
236 HD11 LEU 29 1HD1 LEU 29 -21.433 -7.527 1.392
237 HD12 LEU 29 2HD1 LEU 29 -20.708 -6.061 0.735
238 HD13 LEU 29 3HD1 LEU 29 -20.502 -6.457 2.441
239 HD21 LEU 29 3HD2 LEU 29 -18.540 -8.869 -0.459
240 HD22 LEU 29 1HD2 LEU 29 -19.543 -7.528 -1.012
241 HD23 LEU 29 2HD2 LEU 29 -20.292 -8.945 -0.276
242 H SER 30 H SER 30 -18.916 -3.342 -0.730
243 HA SER 30 HA SER 30 -17.979 -1.505 1.055
244 HB2 SER 30 2HB SER 30 -18.985 -0.874 -1.077
245 HB3 SER 30 1HB SER 30 -20.569 -1.393 -0.501
246 HG SER 30 HG SER 30 -20.768 0.539 0.271
247 H GLU 31 H GLU 31 -18.222 -1.458 3.188
248 HA GLU 31 HA GLU 31 -20.586 -2.552 4.452
249 HB2 GLU 31 2HB GLU 31 -18.112 -1.267 5.620
250 HB3 GLU 31 1HB GLU 31 -19.395 -2.003 6.564
251 HG2 GLU 31 2HG GLU 31 -17.549 -3.379 4.641
252 HG3 GLU 31 1HG GLU 31 -17.585 -3.527 6.396
253 H GLU 32 H GLU 32 -19.895 0.338 3.060
254 HA GLU 32 HA GLU 32 -20.815 2.221 4.948
255 HB2 GLU 32 2HB GLU 32 -20.876 2.336 1.928
256 HB3 GLU 32 1HB GLU 32 -21.140 3.707 2.997
257 HG2 GLU 32 2HG GLU 32 -18.868 3.438 3.880
258 HG3 GLU 32 1HG GLU 32 -18.608 2.096 2.767
259 H ALA 33 H ALA 33 -22.823 3.282 5.115
260 HA ALA 33 HA ALA 33 -25.122 2.274 3.691
261 HB1 ALA 33 1HB ALA 33 -24.917 1.821 6.667
262 HB2 ALA 33 2HB ALA 33 -24.850 0.568 5.427
263 HB3 ALA 33 3HB ALA 33 -26.329 1.499 5.661
264 H LEU 34 H LEU 34 -27.015 3.541 4.027
265 HA LEU 34 HA LEU 34 -26.700 5.947 5.663
266 HB2 LEU 34 2HB LEU 34 -25.935 6.408 3.312
267 HB3 LEU 34 1HB LEU 34 -27.568 6.058 2.777
268 HG LEU 34 HG LEU 34 -28.373 7.933 4.230
269 HD11 LEU 34 1HD1 LEU 34 -26.505 8.008 5.787
270 HD12 LEU 34 2HD1 LEU 34 -26.731 9.571 5.003
271 HD13 LEU 34 3HD1 LEU 34 -25.425 8.505 4.485
272 HD21 LEU 34 3HD2 LEU 34 -27.603 9.703 2.711
273 HD22 LEU 34 1HD2 LEU 34 -28.069 8.240 1.843
274 HD23 LEU 34 2HD2 LEU 34 -26.363 8.614 2.087
Start of MODEL 5
1 H1 MET 1 1HT MET 1 7.589 -15.067 -1.071
2 H2 MET 1 2HT MET 1 7.049 -15.388 0.499
3 H3 MET 1 3HT MET 1 8.597 -15.876 0.022
4 HA MET 1 HA MET 1 7.643 -13.089 0.322
5 HB2 MET 1 2HB MET 1 9.326 -12.989 2.131
6 HB3 MET 1 1HB MET 1 8.057 -14.158 2.461
7 HG2 MET 1 2HG MET 1 9.541 -15.964 1.741
8 HG3 MET 1 1HG MET 1 10.815 -14.785 1.434
9 HE1 MET 1 2HE MET 1 12.455 -16.207 2.970
10 HE2 MET 1 3HE MET 1 11.166 -17.367 3.290
11 HE3 MET 1 1HE MET 1 12.081 -16.675 4.629
12 H ASN 2 H ASN 2 8.966 -11.486 -0.409
13 HA ASN 2 HA ASN 2 11.099 -12.329 -2.228
14 HB2 ASN 2 2HB ASN 2 9.774 -9.623 -1.941
15 HB3 ASN 2 1HB ASN 2 10.904 -10.096 -3.203
16 HD21 ASN 2 1HD2 ASN 2 10.225 -11.483 -4.836
17 HD22 ASN 2 2HD2 ASN 2 8.553 -11.795 -5.138
18 H LYS 3 H LYS 3 13.192 -11.592 -2.077
19 HA LYS 3 HA LYS 3 13.994 -10.629 0.541
20 HB2 LYS 3 2HB LYS 3 15.638 -11.484 -1.848
21 HB3 LYS 3 1HB LYS 3 16.295 -11.054 -0.275
22 HG2 LYS 3 2HG LYS 3 15.096 -12.920 0.743
23 HG3 LYS 3 1HG LYS 3 14.428 -13.351 -0.832
24 HD2 LYS 3 2HD LYS 3 17.382 -13.230 -0.240
25 HD3 LYS 3 1HD LYS 3 16.418 -14.703 -0.117
26 HE2 LYS 3 2HE LYS 3 16.793 -13.029 -2.602
27 HE3 LYS 3 1HE LYS 3 17.582 -14.569 -2.264
28 HZ1 LYS 3 3HZ LYS 3 15.427 -15.643 -2.254
29 HZ2 LYS 3 1HZ LYS 3 15.666 -14.834 -3.720
30 HZ3 LYS 3 2HZ LYS 3 14.653 -14.168 -2.541
31 H LYS 4 H LYS 4 12.583 -8.680 -0.694
32 HA LYS 4 HA LYS 4 14.504 -6.551 -0.830
33 HB2 LYS 4 2HB LYS 4 14.424 -7.526 -3.179
34 HB3 LYS 4 1HB LYS 4 12.760 -6.964 -3.259
35 HG2 LYS 4 2HG LYS 4 14.184 -5.374 -4.348
36 HG3 LYS 4 1HG LYS 4 13.554 -4.659 -2.865
37 HD2 LYS 4 2HD LYS 4 15.886 -4.109 -3.052
38 HD3 LYS 4 1HD LYS 4 15.687 -5.267 -1.735
39 HE2 LYS 4 2HE LYS 4 16.428 -7.072 -3.174
40 HE3 LYS 4 1HE LYS 4 16.533 -5.969 -4.546
41 HZ1 LYS 4 3HZ LYS 4 18.274 -4.758 -3.411
42 HZ2 LYS 4 1HZ LYS 4 18.700 -6.391 -3.543
43 HZ3 LYS 4 2HZ LYS 4 18.156 -5.774 -2.065
44 H ASN 5 H ASN 5 12.371 -7.215 0.894
45 HA ASN 5 HA ASN 5 10.208 -5.376 0.225
46 HB2 ASN 5 2HB ASN 5 10.566 -7.269 2.558
47 HB3 ASN 5 1HB ASN 5 9.147 -6.259 2.295
48 HD21 ASN 5 1HD2 ASN 5 9.390 -9.163 2.434
49 HD22 ASN 5 2HD2 ASN 5 8.756 -9.764 0.944
50 H ILE 6 H ILE 6 13.175 -4.989 1.407
51 HA ILE 6 HA ILE 6 12.502 -3.229 3.630
52 HB ILE 6 HB ILE 6 15.205 -3.952 2.487
53 HG12 ILE 6 2HG1 ILE 6 13.855 -4.943 5.008
54 HG13 ILE 6 1HG1 ILE 6 13.939 -5.853 3.505
55 HG21 ILE 6 1HG2 ILE 6 16.108 -2.993 4.544
56 HG22 ILE 6 2HG2 ILE 6 14.482 -2.535 5.049
57 HG23 ILE 6 3HG2 ILE 6 15.204 -1.791 3.623
58 HD11 ILE 6 3HD1 ILE 6 16.393 -5.835 3.666
59 HD12 ILE 6 1HD1 ILE 6 15.623 -6.626 5.041
60 HD13 ILE 6 2HD1 ILE 6 16.264 -4.992 5.209
61 H LEU 7 H LEU 7 11.643 -1.364 2.870
62 HA LEU 7 HA LEU 7 12.744 -0.045 0.542
63 HB2 LEU 7 2HB LEU 7 10.505 0.642 2.437
64 HB3 LEU 7 1HB LEU 7 11.010 1.714 1.146
65 HG LEU 7 HG LEU 7 10.537 -0.213 -0.453
66 HD11 LEU 7 1HD1 LEU 7 10.486 -2.033 1.128
67 HD12 LEU 7 2HD1 LEU 7 8.904 -1.875 0.364
68 HD13 LEU 7 3HD1 LEU 7 9.154 -1.278 2.005
69 HD21 LEU 7 3HD2 LEU 7 8.131 0.261 -0.487
70 HD22 LEU 7 1HD2 LEU 7 9.088 1.727 -0.271
71 HD23 LEU 7 2HD2 LEU 7 8.260 1.003 1.108
72 HA PRO 8 HA PRO 8 15.381 2.714 2.757
73 HB2 PRO 8 2HB PRO 8 15.636 4.744 1.070
74 HB3 PRO 8 1HB PRO 8 16.240 3.132 0.673
75 HG2 PRO 8 2HG PRO 8 13.755 4.496 -0.221
76 HG3 PRO 8 1HG PRO 8 14.865 3.466 -1.132
77 HD2 PRO 8 2HD PRO 8 12.459 2.643 -0.037
78 HD3 PRO 8 1HD PRO 8 13.792 1.565 -0.496
79 H GLN 9 H GLN 9 15.239 5.594 2.302
80 HA GLN 9 HA GLN 9 13.577 6.281 4.471
81 HB2 GLN 9 2HB GLN 9 15.072 7.988 2.490
82 HB3 GLN 9 1HB GLN 9 14.244 8.624 3.899
83 HG2 GLN 9 2HG GLN 9 15.703 7.399 5.372
84 HG3 GLN 9 1HG GLN 9 16.482 6.620 3.996
85 HE21 GLN 9 1HE2 GLN 9 17.911 7.792 2.728
86 HE22 GLN 9 2HE2 GLN 9 18.578 9.300 3.238
87 H GLN 10 H GLN 10 12.698 5.457 1.564
88 HA GLN 10 HA GLN 10 10.900 7.488 0.743
89 HB2 GLN 10 2HB GLN 10 11.140 4.574 0.053
90 HB3 GLN 10 1HB GLN 10 9.876 5.594 -0.622
91 HG2 GLN 10 2HG GLN 10 12.846 5.887 -0.961
92 HG3 GLN 10 1HG GLN 10 11.648 5.496 -2.188
93 HE21 GLN 10 1HE2 GLN 10 10.308 7.116 -2.994
94 HE22 GLN 10 2HE2 GLN 10 10.675 8.791 -2.783
95 H GLY 11 H GLY 11 9.760 4.222 1.482
96 HA2 GLY 11 2HA GLY 11 8.039 3.475 2.814
97 HA3 GLY 11 1HA GLY 11 8.237 4.937 3.760
98 H GLN 12 H GLN 12 7.774 5.720 0.572
99 HA GLN 12 HA GLN 12 5.342 6.977 0.985
100 HB2 GLN 12 2HB GLN 12 7.219 6.608 -1.167
101 HB3 GLN 12 1HB GLN 12 5.568 6.612 -1.748
102 HG2 GLN 12 2HG GLN 12 6.822 8.746 -0.048
103 HG3 GLN 12 1HG GLN 12 6.588 8.838 -1.793
104 HE21 GLN 12 1HE2 GLN 12 3.995 7.476 -1.645
105 HE22 GLN 12 2HE2 GLN 12 2.881 8.646 -1.032
106 HA PRO 13 HA PRO 13 3.259 3.342 -1.368
107 HB2 PRO 13 2HB PRO 13 5.139 1.123 -1.377
108 HB3 PRO 13 1HB PRO 13 4.396 1.946 -2.750
109 HG2 PRO 13 2HG PRO 13 7.047 2.133 -2.185
110 HG3 PRO 13 1HG PRO 13 6.135 3.438 -2.966
111 HD2 PRO 13 2HD PRO 13 6.906 3.137 -0.078
112 HD3 PRO 13 1HD PRO 13 6.995 4.586 -1.107
113 H VAL 14 H VAL 14 5.032 3.132 1.485
114 HA VAL 14 HA VAL 14 3.806 0.742 2.513
115 HB VAL 14 HB VAL 14 5.233 2.950 4.016
116 HG11 VAL 14 1HG1 VAL 14 5.567 1.225 5.744
117 HG12 VAL 14 2HG1 VAL 14 4.561 0.118 4.809
118 HG13 VAL 14 3HG1 VAL 14 3.863 1.593 5.480
119 HG21 VAL 14 3HG2 VAL 14 6.681 1.974 2.321
120 HG22 VAL 14 1HG2 VAL 14 6.309 0.355 2.914
121 HG23 VAL 14 2HG2 VAL 14 7.198 1.486 3.935
122 H ILE 15 H ILE 15 3.051 4.082 2.265
123 HA ILE 15 HA ILE 15 0.979 4.000 4.301
124 HB ILE 15 HB ILE 15 1.621 6.230 2.373
125 HG12 ILE 15 2HG1 ILE 15 3.610 5.526 3.696
126 HG13 ILE 15 1HG1 ILE 15 3.084 7.164 4.045
127 HG21 ILE 15 1HG2 ILE 15 -0.528 6.479 3.422
128 HG22 ILE 15 2HG2 ILE 15 0.594 7.641 4.131
129 HG23 ILE 15 3HG2 ILE 15 0.169 6.174 5.013
130 HD11 ILE 15 3HD1 ILE 15 3.747 5.910 6.051
131 HD12 ILE 15 1HD1 ILE 15 2.451 4.757 5.734
132 HD13 ILE 15 2HD1 ILE 15 2.064 6.437 6.107
133 H ARG 16 H ARG 16 1.389 3.645 0.935
134 HA ARG 16 HA ARG 16 -1.393 4.050 0.256
135 HB2 ARG 16 2HB ARG 16 0.479 2.676 -1.600
136 HB3 ARG 16 1HB ARG 16 -0.738 3.894 -1.944
137 HG2 ARG 16 2HG ARG 16 0.729 5.580 -0.868
138 HG3 ARG 16 1HG ARG 16 1.963 4.323 -0.725
139 HD2 ARG 16 2HD ARG 16 0.712 5.279 -3.294
140 HD3 ARG 16 1HD ARG 16 2.311 5.736 -2.704
141 HE ARG 16 HE ARG 16 2.436 3.039 -2.778
142 HH11 ARG 16 1HH1 ARG 16 1.490 5.443 -5.116
143 HH12 ARG 16 2HH1 ARG 16 1.990 4.500 -6.479
144 HH21 ARG 16 1HH2 ARG 16 3.100 1.791 -4.567
145 HH22 ARG 16 2HH2 ARG 16 2.907 2.425 -6.168
146 H LEU 17 H LEU 17 0.899 1.473 0.672
147 HA LEU 17 HA LEU 17 -0.794 -0.674 -0.062
148 HB2 LEU 17 2HB LEU 17 1.762 -0.660 0.217
149 HB3 LEU 17 1HB LEU 17 1.453 -0.867 1.929
150 HG LEU 17 HG LEU 17 0.208 -2.964 1.405
151 HD11 LEU 17 1HD1 LEU 17 0.527 -3.977 -0.802
152 HD12 LEU 17 2HD1 LEU 17 1.305 -2.498 -1.365
153 HD13 LEU 17 3HD1 LEU 17 -0.396 -2.477 -0.896
154 HD21 LEU 17 3HD2 LEU 17 3.073 -2.843 0.473
155 HD22 LEU 17 1HD2 LEU 17 2.208 -4.302 0.958
156 HD23 LEU 17 2HD2 LEU 17 2.527 -3.031 2.139
157 H THR 18 H THR 18 -0.136 0.920 3.017
158 HA THR 18 HA THR 18 -1.469 -0.854 4.710
159 HB THR 18 HB THR 18 -1.037 2.125 4.918
160 HG1 THR 18 1HG THR 18 0.795 1.578 5.938
161 HG21 THR 18 3HG2 THR 18 -2.904 1.496 6.332
162 HG22 THR 18 1HG2 THR 18 -1.490 1.858 7.318
163 HG23 THR 18 2HG2 THR 18 -1.959 0.183 7.030
164 H ALA 19 H ALA 19 -2.682 2.364 3.808
165 HA ALA 19 HA ALA 19 -5.362 1.723 4.408
166 HB1 ALA 19 1HB ALA 19 -4.298 3.986 2.724
167 HB2 ALA 19 2HB ALA 19 -4.504 4.016 4.476
168 HB3 ALA 19 3HB ALA 19 -5.914 3.883 3.424
169 H GLY 20 H GLY 20 -3.435 0.928 1.776
170 HA2 GLY 20 2HA GLY 20 -5.473 0.935 -0.218
171 HA3 GLY 20 1HA GLY 20 -3.878 0.241 -0.383
172 H GLN 21 H GLN 21 -4.045 -1.440 1.899
173 HA GLN 21 HA GLN 21 -5.275 -3.714 0.732
174 HB2 GLN 21 2HB GLN 21 -3.286 -3.830 2.200
175 HB3 GLN 21 1HB GLN 21 -4.278 -3.336 3.563
176 HG2 GLN 21 2HG GLN 21 -5.620 -5.364 3.322
177 HG3 GLN 21 1HG GLN 21 -4.619 -5.860 1.958
178 HE21 GLN 21 1HE2 GLN 21 -5.102 -7.177 4.522
179 HE22 GLN 21 2HE2 GLN 21 -3.548 -7.398 5.244
180 H LEU 22 H LEU 22 -6.108 -1.674 3.505
181 HA LEU 22 HA LEU 22 -8.443 -3.101 4.231
182 HB2 LEU 22 2HB LEU 22 -7.772 -0.209 4.768
183 HB3 LEU 22 1HB LEU 22 -8.927 -1.192 5.641
184 HG LEU 22 HG LEU 22 -5.956 -1.710 5.582
185 HD11 LEU 22 1HD1 LEU 22 -6.474 0.394 6.713
186 HD12 LEU 22 2HD1 LEU 22 -5.928 -0.837 7.853
187 HD13 LEU 22 3HD1 LEU 22 -7.643 -0.443 7.734
188 HD21 LEU 22 3HD2 LEU 22 -8.157 -2.892 7.272
189 HD22 LEU 22 1HD2 LEU 22 -6.433 -3.228 7.439
190 HD23 LEU 22 2HD2 LEU 22 -7.289 -3.713 5.975
191 H SER 23 H SER 23 -7.989 -0.062 2.414
192 HA SER 23 HA SER 23 -10.716 0.295 1.883
193 HB2 SER 23 2HB SER 23 -9.154 2.159 1.773
194 HB3 SER 23 1HB SER 23 -8.354 1.396 0.408
195 HG SER 23 HG SER 23 -10.680 2.842 0.491
196 H SER 24 H SER 24 -8.832 -2.085 0.877
197 HA SER 24 HA SER 24 -9.943 -2.316 -1.802
198 HB2 SER 24 2HB SER 24 -7.544 -2.813 -1.507
199 HB3 SER 24 1HB SER 24 -7.959 -4.088 -0.366
200 HG SER 24 HG SER 24 -8.789 -5.290 -1.982
201 H GLN 25 H GLN 25 -9.861 -3.948 1.304
202 HA GLN 25 HA GLN 25 -11.475 -6.142 0.695
203 HB2 GLN 25 2HB GLN 25 -11.184 -4.636 3.305
204 HB3 GLN 25 1HB GLN 25 -11.908 -6.232 3.138
205 HG2 GLN 25 2HG GLN 25 -9.733 -7.038 2.229
206 HG3 GLN 25 1HG GLN 25 -9.050 -5.462 2.616
207 HE21 GLN 25 1HE2 GLN 25 -10.675 -5.205 5.041
208 HE22 GLN 25 2HE2 GLN 25 -9.949 -6.250 6.209
209 H LEU 26 H LEU 26 -12.239 -2.810 1.197
210 HA LEU 26 HA LEU 26 -15.017 -3.201 1.716
211 HB2 LEU 26 2HB LEU 26 -13.711 -0.670 0.755
212 HB3 LEU 26 1HB LEU 26 -15.208 -0.829 1.655
213 HG LEU 26 HG LEU 26 -12.533 -1.602 2.782
214 HD11 LEU 26 1HD1 LEU 26 -12.506 0.774 2.213
215 HD12 LEU 26 2HD1 LEU 26 -12.548 0.537 3.960
216 HD13 LEU 26 3HD1 LEU 26 -14.013 1.006 3.099
217 HD21 LEU 26 3HD2 LEU 26 -15.200 -1.037 4.070
218 HD22 LEU 26 1HD2 LEU 26 -13.707 -1.424 4.925
219 HD23 LEU 26 2HD2 LEU 26 -14.455 -2.623 3.870
220 H ALA 27 H ALA 27 -13.024 -2.441 -1.071
221 HA ALA 27 HA ALA 27 -14.914 -1.711 -2.926
222 HB1 ALA 27 1HB ALA 27 -13.363 -2.481 -4.636
223 HB2 ALA 27 2HB ALA 27 -12.475 -3.409 -3.427
224 HB3 ALA 27 3HB ALA 27 -12.506 -1.648 -3.339
225 H GLU 28 H GLU 28 -14.515 -4.771 -1.449
226 HA GLU 28 HA GLU 28 -16.238 -6.000 -3.392
227 HB2 GLU 28 2HB GLU 28 -15.405 -8.150 -2.147
228 HB3 GLU 28 1HB GLU 28 -14.459 -7.405 -3.434
229 HG2 GLU 28 2HG GLU 28 -13.322 -6.080 -1.673
230 HG3 GLU 28 1HG GLU 28 -14.109 -7.111 -0.488
231 H LEU 29 H LEU 29 -15.637 -5.700 0.050
232 HA LEU 29 HA LEU 29 -18.469 -6.300 0.530
233 HB2 LEU 29 2HB LEU 29 -16.080 -7.424 1.940
234 HB3 LEU 29 1HB LEU 29 -17.634 -7.314 2.746
235 HG LEU 29 HG LEU 29 -18.484 -8.573 0.595
236 HD11 LEU 29 1HD1 LEU 29 -16.818 -10.172 -0.226
237 HD12 LEU 29 2HD1 LEU 29 -15.575 -9.344 0.713
238 HD13 LEU 29 3HD1 LEU 29 -16.390 -8.505 -0.607
239 HD21 LEU 29 3HD2 LEU 29 -16.959 -9.925 2.813
240 HD22 LEU 29 1HD2 LEU 29 -18.165 -10.684 1.773
241 HD23 LEU 29 2HD2 LEU 29 -18.638 -9.393 2.878
242 H SER 30 H SER 30 -17.964 -3.772 0.289
243 HA SER 30 HA SER 30 -16.850 -2.323 2.332
244 HB2 SER 30 2HB SER 30 -17.614 -1.319 0.224
245 HB3 SER 30 1HB SER 30 -19.289 -1.599 0.697
246 HG SER 30 HG SER 30 -19.206 0.178 1.793
247 H GLU 31 H GLU 31 -17.352 -1.992 4.415
248 HA GLU 31 HA GLU 31 -20.054 -2.753 5.316
249 HB2 GLU 31 2HB GLU 31 -17.430 -2.936 6.807
250 HB3 GLU 31 1HB GLU 31 -19.005 -3.267 7.510
251 HG2 GLU 31 2HG GLU 31 -19.329 -5.158 6.162
252 HG3 GLU 31 1HG GLU 31 -17.962 -4.750 5.128
253 H GLU 32 H GLU 32 -19.075 -0.116 4.390
254 HA GLU 32 HA GLU 32 -19.306 1.431 6.878
255 HB2 GLU 32 2HB GLU 32 -18.445 3.333 5.576
256 HB3 GLU 32 1HB GLU 32 -17.338 1.967 5.550
257 HG2 GLU 32 2HG GLU 32 -18.123 1.360 3.328
258 HG3 GLU 32 1HG GLU 32 -19.253 2.712 3.352
259 H ALA 33 H ALA 33 -21.060 0.421 4.183
260 HA ALA 33 HA ALA 33 -23.050 2.558 4.605
261 HB1 ALA 33 1HB ALA 33 -23.749 2.274 2.287
262 HB2 ALA 33 2HB ALA 33 -22.525 1.024 2.060
263 HB3 ALA 33 3HB ALA 33 -22.037 2.689 2.380
264 H LEU 34 H LEU 34 -25.147 1.974 4.951
265 HA LEU 34 HA LEU 34 -26.030 -0.743 4.524
266 HB2 LEU 34 2HB LEU 34 -24.801 -0.380 6.871
267 HB3 LEU 34 1HB LEU 34 -26.395 0.193 7.321
268 HG LEU 34 HG LEU 34 -26.125 -2.147 7.915
269 HD11 LEU 34 1HD1 LEU 34 -28.095 -3.063 6.817
270 HD12 LEU 34 2HD1 LEU 34 -28.009 -1.801 5.588
271 HD13 LEU 34 3HD1 LEU 34 -28.347 -1.375 7.264
272 HD21 LEU 34 3HD2 LEU 34 -25.843 -3.862 6.191
273 HD22 LEU 34 1HD2 LEU 34 -24.459 -2.770 6.255
274 HD23 LEU 34 2HD2 LEU 34 -25.656 -2.603 4.971
Start of MODEL 6
1 H1 MET 1 1HT MET 1 19.709 11.958 19.855
2 H2 MET 1 2HT MET 1 19.727 11.075 18.412
3 H3 MET 1 3HT MET 1 20.840 10.719 19.635
4 HA MET 1 HA MET 1 19.085 9.078 19.570
5 HB2 MET 1 2HB MET 1 19.037 10.907 21.978
6 HB3 MET 1 1HB MET 1 18.373 9.279 21.954
7 HG2 MET 1 2HG MET 1 20.567 8.354 21.535
8 HG3 MET 1 1HG MET 1 21.258 9.973 21.446
9 HE1 MET 1 2HE MET 1 19.510 7.327 23.771
10 HE2 MET 1 3HE MET 1 18.487 8.750 23.961
11 HE3 MET 1 1HE MET 1 19.471 8.185 25.311
12 H ASN 2 H ASN 2 17.504 9.511 17.984
13 HA ASN 2 HA ASN 2 15.038 10.633 19.096
14 HB2 ASN 2 2HB ASN 2 16.100 12.403 17.726
15 HB3 ASN 2 1HB ASN 2 16.090 11.315 16.341
16 HD21 ASN 2 1HD2 ASN 2 14.184 13.302 18.443
17 HD22 ASN 2 2HD2 ASN 2 12.742 13.286 17.492
18 H LYS 3 H LYS 3 13.099 9.905 17.998
19 HA LYS 3 HA LYS 3 13.138 7.160 17.424
20 HB2 LYS 3 2HB LYS 3 10.767 7.541 16.651
21 HB3 LYS 3 1HB LYS 3 11.129 8.095 18.279
22 HG2 LYS 3 2HG LYS 3 11.412 10.394 17.356
23 HG3 LYS 3 1HG LYS 3 10.841 9.779 15.802
24 HD2 LYS 3 2HD LYS 3 8.742 9.076 16.865
25 HD3 LYS 3 1HD LYS 3 9.314 9.719 18.406
26 HE2 LYS 3 2HE LYS 3 9.468 11.957 17.372
27 HE3 LYS 3 1HE LYS 3 8.808 11.289 15.880
28 HZ1 LYS 3 3HZ LYS 3 6.802 10.676 17.110
29 HZ2 LYS 3 1HZ LYS 3 7.081 12.344 17.169
30 HZ3 LYS 3 2HZ LYS 3 7.435 11.379 18.512
31 H LYS 4 H LYS 4 12.566 9.905 15.212
32 HA LYS 4 HA LYS 4 12.867 10.148 12.974
33 HB2 LYS 4 2HB LYS 4 14.790 7.842 13.332
34 HB3 LYS 4 1HB LYS 4 14.684 8.861 11.904
35 HG2 LYS 4 2HG LYS 4 15.374 9.848 14.664
36 HG3 LYS 4 1HG LYS 4 16.548 9.463 13.403
37 HD2 LYS 4 2HD LYS 4 15.511 11.165 11.953
38 HD3 LYS 4 1HD LYS 4 14.392 11.570 13.256
39 HE2 LYS 4 2HE LYS 4 16.281 12.207 14.676
40 HE3 LYS 4 1HE LYS 4 17.398 11.802 13.374
41 HZ1 LYS 4 3HZ LYS 4 15.315 13.918 13.278
42 HZ2 LYS 4 1HZ LYS 4 16.376 13.526 12.018
43 HZ3 LYS 4 2HZ LYS 4 16.977 14.173 13.460
44 H ASN 5 H ASN 5 10.998 9.676 11.991
45 HA ASN 5 HA ASN 5 10.608 6.910 11.084
46 HB2 ASN 5 2HB ASN 5 8.531 8.747 12.280
47 HB3 ASN 5 1HB ASN 5 8.133 7.284 11.387
48 HD21 ASN 5 1HD2 ASN 5 8.572 5.283 12.290
49 HD22 ASN 5 2HD2 ASN 5 8.931 5.087 13.968
50 H ILE 6 H ILE 6 11.306 9.875 10.119
51 HA ILE 6 HA ILE 6 9.399 10.227 7.983
52 HB ILE 6 HB ILE 6 12.028 11.653 8.408
53 HG12 ILE 6 2HG1 ILE 6 9.256 12.489 9.297
54 HG13 ILE 6 1HG1 ILE 6 10.482 11.813 10.365
55 HG21 ILE 6 1HG2 ILE 6 11.016 13.407 7.033
56 HG22 ILE 6 2HG2 ILE 6 9.576 12.410 6.824
57 HG23 ILE 6 3HG2 ILE 6 11.121 11.880 6.158
58 HD11 ILE 6 3HD1 ILE 6 10.689 14.396 8.836
59 HD12 ILE 6 1HD1 ILE 6 11.940 13.716 9.878
60 HD13 ILE 6 2HD1 ILE 6 10.396 14.220 10.568
61 H LEU 7 H LEU 7 9.680 9.807 5.836
62 HA LEU 7 HA LEU 7 12.239 8.853 4.851
63 HB2 LEU 7 2HB LEU 7 9.858 7.121 5.249
64 HB3 LEU 7 1HB LEU 7 10.771 6.902 3.768
65 HG LEU 7 HG LEU 7 12.157 6.870 6.424
66 HD11 LEU 7 1HD1 LEU 7 10.828 4.526 5.071
67 HD12 LEU 7 2HD1 LEU 7 10.336 5.257 6.599
68 HD13 LEU 7 3HD1 LEU 7 11.893 4.439 6.474
69 HD21 LEU 7 3HD2 LEU 7 12.743 5.591 3.759
70 HD22 LEU 7 1HD2 LEU 7 13.740 5.456 5.208
71 HD23 LEU 7 2HD2 LEU 7 13.532 7.022 4.424
72 HA PRO 8 HA PRO 8 10.800 10.851 1.189
73 HB2 PRO 8 2HB PRO 8 12.387 9.772 -0.670
74 HB3 PRO 8 1HB PRO 8 12.996 10.879 0.564
75 HG2 PRO 8 2HG PRO 8 13.130 7.908 0.452
76 HG3 PRO 8 1HG PRO 8 14.361 9.073 0.954
77 HD2 PRO 8 2HD PRO 8 12.799 7.651 2.695
78 HD3 PRO 8 1HD PRO 8 13.532 9.221 3.077
79 H GLN 9 H GLN 9 11.125 9.385 -1.363
80 HA GLN 9 HA GLN 9 8.505 8.357 -1.546
81 HB2 GLN 9 2HB GLN 9 10.758 8.144 -3.536
82 HB3 GLN 9 1HB GLN 9 9.056 7.893 -3.874
83 HG2 GLN 9 2HG GLN 9 8.612 10.243 -3.295
84 HG3 GLN 9 1HG GLN 9 10.341 10.478 -3.044
85 HE21 GLN 9 1HE2 GLN 9 7.822 9.984 -5.377
86 HE22 GLN 9 2HE2 GLN 9 8.756 10.381 -6.775
87 H GLN 10 H GLN 10 11.008 7.057 -0.148
88 HA GLN 10 HA GLN 10 11.040 4.397 -1.184
89 HB2 GLN 10 2HB GLN 10 12.054 5.503 1.439
90 HB3 GLN 10 1HB GLN 10 12.356 3.872 0.858
91 HG2 GLN 10 2HG GLN 10 13.585 4.736 -1.037
92 HG3 GLN 10 1HG GLN 10 13.218 6.390 -0.549
93 HE21 GLN 10 1HE2 GLN 10 15.799 5.092 -0.919
94 HE22 GLN 10 2HE2 GLN 10 16.629 5.232 0.589
95 H GLY 11 H GLY 11 9.851 5.752 1.897
96 HA2 GLY 11 2HA GLY 11 8.268 3.346 2.352
97 HA3 GLY 11 1HA GLY 11 8.503 4.669 3.480
98 H GLN 12 H GLN 12 7.777 5.894 0.498
99 HA GLN 12 HA GLN 12 5.366 7.014 1.244
100 HB2 GLN 12 2HB GLN 12 7.051 6.933 -1.094
101 HB3 GLN 12 1HB GLN 12 5.355 6.984 -1.518
102 HG2 GLN 12 2HG GLN 12 6.815 8.938 0.235
103 HG3 GLN 12 1HG GLN 12 6.279 9.216 -1.421
104 HE21 GLN 12 1HE2 GLN 12 5.624 10.672 1.014
105 HE22 GLN 12 2HE2 GLN 12 3.904 10.617 1.160
106 HA PRO 13 HA PRO 13 3.167 3.627 -1.397
107 HB2 PRO 13 2HB PRO 13 5.109 1.449 -1.633
108 HB3 PRO 13 1HB PRO 13 4.228 2.297 -2.907
109 HG2 PRO 13 2HG PRO 13 6.889 2.594 -2.572
110 HG3 PRO 13 1HG PRO 13 5.857 3.923 -3.134
111 HD2 PRO 13 2HD PRO 13 6.898 3.384 -0.366
112 HD3 PRO 13 1HD PRO 13 6.866 4.923 -1.256
113 H VAL 14 H VAL 14 5.016 3.233 1.380
114 HA VAL 14 HA VAL 14 3.815 0.758 2.250
115 HB VAL 14 HB VAL 14 5.341 2.798 3.889
116 HG11 VAL 14 1HG1 VAL 14 5.740 0.906 5.409
117 HG12 VAL 14 2HG1 VAL 14 4.701 -0.105 4.405
118 HG13 VAL 14 3HG1 VAL 14 4.025 1.285 5.254
119 HG21 VAL 14 3HG2 VAL 14 6.689 1.993 2.018
120 HG22 VAL 14 1HG2 VAL 14 6.351 0.326 2.483
121 HG23 VAL 14 2HG2 VAL 14 7.294 1.364 3.550
122 H ILE 15 H ILE 15 3.089 4.105 2.282
123 HA ILE 15 HA ILE 15 1.106 3.895 4.401
124 HB ILE 15 HB ILE 15 1.630 6.271 2.623
125 HG12 ILE 15 2HG1 ILE 15 3.745 5.484 3.662
126 HG13 ILE 15 1HG1 ILE 15 3.249 7.067 4.236
127 HG21 ILE 15 1HG2 ILE 15 0.778 7.532 4.558
128 HG22 ILE 15 2HG2 ILE 15 0.485 6.011 5.401
129 HG23 ILE 15 3HG2 ILE 15 -0.406 6.389 3.927
130 HD11 ILE 15 3HD1 ILE 15 2.866 4.470 5.706
131 HD12 ILE 15 1HD1 ILE 15 2.408 6.070 6.291
132 HD13 ILE 15 2HD1 ILE 15 4.109 5.677 6.039
133 H ARG 16 H ARG 16 1.384 3.749 1.014
134 HA ARG 16 HA ARG 16 -1.419 4.227 0.467
135 HB2 ARG 16 2HB ARG 16 0.381 2.964 -1.540
136 HB3 ARG 16 1HB ARG 16 -0.849 4.197 -1.766
137 HG2 ARG 16 2HG ARG 16 0.662 5.815 -0.630
138 HG3 ARG 16 1HG ARG 16 1.900 4.557 -0.636
139 HD2 ARG 16 2HD ARG 16 0.528 5.673 -3.077
140 HD3 ARG 16 1HD ARG 16 2.141 6.124 -2.525
141 HE ARG 16 HE ARG 16 2.138 3.370 -2.817
142 HH11 ARG 16 1HH1 ARG 16 1.696 6.171 -4.841
143 HH12 ARG 16 2HH1 ARG 16 2.307 5.397 -6.265
144 HH21 ARG 16 1HH2 ARG 16 2.939 2.342 -4.688
145 HH22 ARG 16 2HH2 ARG 16 3.013 3.221 -6.179
146 H LEU 17 H LEU 17 0.878 1.624 0.607
147 HA LEU 17 HA LEU 17 -0.835 -0.480 -0.173
148 HB2 LEU 17 2HB LEU 17 1.698 -0.533 -0.007
149 HB3 LEU 17 1HB LEU 17 1.498 -0.709 1.725
150 HG LEU 17 HG LEU 17 0.142 -2.794 1.245
151 HD11 LEU 17 1HD1 LEU 17 -0.361 -2.321 -1.095
152 HD12 LEU 17 2HD1 LEU 17 0.482 -3.859 -0.920
153 HD13 LEU 17 3HD1 LEU 17 1.353 -2.437 -1.493
154 HD21 LEU 17 3HD2 LEU 17 2.429 -2.896 2.061
155 HD22 LEU 17 1HD2 LEU 17 3.041 -2.738 0.414
156 HD23 LEU 17 2HD2 LEU 17 2.135 -4.176 0.884
157 H THR 18 H THR 18 -0.115 0.972 2.959
158 HA THR 18 HA THR 18 -1.409 -0.875 4.602
159 HB THR 18 HB THR 18 -1.023 2.101 4.940
160 HG1 THR 18 1HG THR 18 0.424 0.323 6.478
161 HG21 THR 18 3HG2 THR 18 -1.358 1.661 7.349
162 HG22 THR 18 1HG2 THR 18 -1.837 0.012 6.954
163 HG23 THR 18 2HG2 THR 18 -2.809 1.371 6.389
164 H ALA 19 H ALA 19 -2.650 2.381 3.878
165 HA ALA 19 HA ALA 19 -5.307 1.766 4.522
166 HB1 ALA 19 1HB ALA 19 -4.269 3.950 2.723
167 HB2 ALA 19 2HB ALA 19 -4.486 4.057 4.470
168 HB3 ALA 19 3HB ALA 19 -5.889 3.874 3.416
169 H GLY 20 H GLY 20 -3.455 1.016 1.789
170 HA2 GLY 20 2HA GLY 20 -5.524 0.884 -0.132
171 HA3 GLY 20 1HA GLY 20 -3.949 0.138 -0.272
172 H GLN 21 H GLN 21 -3.948 -1.529 1.871
173 HA GLN 21 HA GLN 21 -5.308 -3.780 0.914
174 HB2 GLN 21 2HB GLN 21 -3.281 -3.790 2.394
175 HB3 GLN 21 1HB GLN 21 -4.324 -3.351 3.739
176 HG2 GLN 21 2HG GLN 21 -5.549 -5.418 3.516
177 HG3 GLN 21 1HG GLN 21 -4.610 -5.851 2.088
178 HE21 GLN 21 1HE2 GLN 21 -3.863 -7.748 3.016
179 HE22 GLN 21 2HE2 GLN 21 -2.679 -7.759 4.274
180 H LEU 22 H LEU 22 -6.092 -1.521 3.510
181 HA LEU 22 HA LEU 22 -8.393 -2.864 4.444
182 HB2 LEU 22 2HB LEU 22 -7.632 0.055 4.592
183 HB3 LEU 22 1HB LEU 22 -8.942 -0.682 5.489
184 HG LEU 22 HG LEU 22 -6.029 -1.414 5.784
185 HD11 LEU 22 1HD1 LEU 22 -6.474 0.841 6.592
186 HD12 LEU 22 2HD1 LEU 22 -6.167 -0.261 7.933
187 HD13 LEU 22 3HD1 LEU 22 -7.818 0.238 7.563
188 HD21 LEU 22 3HD2 LEU 22 -6.783 -2.642 7.760
189 HD22 LEU 22 1HD2 LEU 22 -7.532 -3.265 6.290
190 HD23 LEU 22 2HD2 LEU 22 -8.456 -2.231 7.380
191 H SER 23 H SER 23 -8.001 -0.097 2.230
192 HA SER 23 HA SER 23 -10.746 0.113 1.664
193 HB2 SER 23 2HB SER 23 -9.253 2.014 1.369
194 HB3 SER 23 1HB SER 23 -8.402 1.138 0.105
195 HG SER 23 HG SER 23 -9.827 2.392 -0.965
196 H SER 24 H SER 24 -8.775 -2.303 0.940
197 HA SER 24 HA SER 24 -9.864 -2.833 -1.708
198 HB2 SER 24 2HB SER 24 -7.657 -4.159 -0.140
199 HB3 SER 24 1HB SER 24 -8.270 -4.804 -1.661
200 HG SER 24 HG SER 24 -7.630 -2.894 -2.676
201 H GLN 25 H GLN 25 -9.793 -4.103 1.562
202 HA GLN 25 HA GLN 25 -11.278 -6.452 1.025
203 HB2 GLN 25 2HB GLN 25 -10.770 -4.898 3.562
204 HB3 GLN 25 1HB GLN 25 -11.701 -6.391 3.531
205 HG2 GLN 25 2HG GLN 25 -9.737 -7.545 2.570
206 HG3 GLN 25 1HG GLN 25 -8.818 -6.051 2.739
207 HE21 GLN 25 1HE2 GLN 25 -10.132 -5.349 5.254
208 HE22 GLN 25 2HE2 GLN 25 -9.447 -6.385 6.455
209 H LEU 26 H LEU 26 -12.113 -3.139 1.518
210 HA LEU 26 HA LEU 26 -14.889 -3.677 2.038
211 HB2 LEU 26 2HB LEU 26 -13.689 -1.010 1.362
212 HB3 LEU 26 1HB LEU 26 -15.155 -1.338 2.268
213 HG LEU 26 HG LEU 26 -12.444 -2.148 3.266
214 HD11 LEU 26 1HD1 LEU 26 -12.393 0.255 2.934
215 HD12 LEU 26 2HD1 LEU 26 -12.489 -0.115 4.655
216 HD13 LEU 26 3HD1 LEU 26 -13.925 0.426 3.788
217 HD21 LEU 26 3HD2 LEU 26 -14.367 -3.261 4.281
218 HD22 LEU 26 1HD2 LEU 26 -15.077 -1.692 4.661
219 HD23 LEU 26 2HD2 LEU 26 -13.570 -2.186 5.430
220 H ALA 27 H ALA 27 -12.830 -2.898 -0.633
221 HA ALA 27 HA ALA 27 -14.588 -1.886 -2.488
222 HB1 ALA 27 1HB ALA 27 -12.178 -2.098 -2.869
223 HB2 ALA 27 2HB ALA 27 -13.109 -2.773 -4.206
224 HB3 ALA 27 3HB ALA 27 -12.359 -3.845 -3.024
225 H GLU 28 H GLU 28 -14.069 -5.259 -1.575
226 HA GLU 28 HA GLU 28 -15.750 -6.377 -3.482
227 HB2 GLU 28 2HB GLU 28 -15.336 -8.405 -2.509
228 HB3 GLU 28 1HB GLU 28 -13.931 -7.469 -2.004
229 HG2 GLU 28 2HG GLU 28 -14.882 -7.060 0.115
230 HG3 GLU 28 1HG GLU 28 -16.410 -7.755 -0.394
231 H LEU 29 H LEU 29 -16.333 -4.992 -0.363
232 HA LEU 29 HA LEU 29 -19.206 -5.346 -0.794
233 HB2 LEU 29 2HB LEU 29 -17.758 -6.780 1.116
234 HB3 LEU 29 1HB LEU 29 -18.531 -5.494 2.021
235 HG LEU 29 HG LEU 29 -19.906 -7.495 2.044
236 HD11 LEU 29 1HD1 LEU 29 -21.029 -5.324 2.064
237 HD12 LEU 29 2HD1 LEU 29 -21.999 -6.547 1.242
238 HD13 LEU 29 3HD1 LEU 29 -21.110 -5.348 0.303
239 HD21 LEU 29 3HD2 LEU 29 -19.152 -8.521 -0.017
240 HD22 LEU 29 1HD2 LEU 29 -19.902 -7.234 -0.960
241 HD23 LEU 29 2HD2 LEU 29 -20.907 -8.349 -0.034
242 H SER 30 H SER 30 -18.605 -3.083 -1.532
243 HA SER 30 HA SER 30 -17.743 -1.026 -0.004
244 HB2 SER 30 2HB SER 30 -18.367 -0.767 -2.356
245 HB3 SER 30 1HB SER 30 -20.069 -0.951 -1.936
246 HG SER 30 HG SER 30 -18.617 1.266 -1.942
247 H GLU 31 H GLU 31 -21.040 -2.322 -0.063
248 HA GLU 31 HA GLU 31 -22.126 -0.492 1.778
249 HB2 GLU 31 2HB GLU 31 -23.017 -3.315 1.166
250 HB3 GLU 31 1HB GLU 31 -23.977 -2.094 1.984
251 HG2 GLU 31 2HG GLU 31 -23.058 -2.080 -0.869
252 HG3 GLU 31 1HG GLU 31 -24.705 -2.225 -0.260
253 H GLU 32 H GLU 32 -20.921 -0.250 3.611
254 HA GLU 32 HA GLU 32 -19.686 -2.266 5.087
255 HB2 GLU 32 2HB GLU 32 -20.792 0.371 6.073
256 HB3 GLU 32 1HB GLU 32 -19.648 -0.641 6.943
257 HG2 GLU 32 2HG GLU 32 -18.011 -0.333 5.160
258 HG3 GLU 32 1HG GLU 32 -19.158 0.680 4.283
259 H ALA 33 H ALA 33 -22.999 -1.200 5.032
260 HA ALA 33 HA ALA 33 -23.854 -2.286 7.485
261 HB1 ALA 33 1HB ALA 33 -26.107 -2.138 6.563
262 HB2 ALA 33 2HB ALA 33 -25.440 -1.890 4.948
263 HB3 ALA 33 3HB ALA 33 -25.183 -0.679 6.205
264 H LEU 34 H LEU 34 -23.478 -4.349 8.011
265 HA LEU 34 HA LEU 34 -24.527 -6.425 6.238
266 HB2 LEU 34 2HB LEU 34 -22.080 -6.190 5.816
267 HB3 LEU 34 1HB LEU 34 -21.791 -6.591 7.499
268 HG LEU 34 HG LEU 34 -22.885 -8.799 7.109
269 HD11 LEU 34 1HD1 LEU 34 -22.819 -7.914 4.227
270 HD12 LEU 34 2HD1 LEU 34 -24.260 -8.211 5.198
271 HD13 LEU 34 3HD1 LEU 34 -23.182 -9.546 4.790
272 HD21 LEU 34 3HD2 LEU 34 -20.509 -8.146 5.370
273 HD22 LEU 34 1HD2 LEU 34 -21.001 -9.765 5.867
274 HD23 LEU 34 2HD2 LEU 34 -20.466 -8.596 7.074
Start of MODEL 7
1 H1 MET 1 1HT MET 1 6.402 1.991 17.994
2 H2 MET 1 2HT MET 1 7.520 2.913 18.865
3 H3 MET 1 3HT MET 1 6.935 1.464 19.512
4 HA MET 1 HA MET 1 9.162 1.167 18.681
5 HB2 MET 1 2HB MET 1 7.543 -0.698 18.557
6 HB3 MET 1 1HB MET 1 7.082 -0.179 16.942
7 HG2 MET 1 2HG MET 1 9.334 -0.630 16.139
8 HG3 MET 1 1HG MET 1 9.824 -1.114 17.762
9 HE1 MET 1 2HE MET 1 8.894 -3.271 19.007
10 HE2 MET 1 3HE MET 1 7.682 -4.349 18.317
11 HE3 MET 1 1HE MET 1 7.243 -2.700 18.762
12 H ASN 2 H ASN 2 10.694 1.426 17.094
13 HA ASN 2 HA ASN 2 9.850 2.846 14.658
14 HB2 ASN 2 2HB ASN 2 12.312 3.473 16.302
15 HB3 ASN 2 1HB ASN 2 11.817 4.283 14.818
16 HD21 ASN 2 1HD2 ASN 2 12.262 5.349 17.502
17 HD22 ASN 2 2HD2 ASN 2 10.786 6.125 17.955
18 H LYS 3 H LYS 3 10.052 1.107 13.298
19 HA LYS 3 HA LYS 3 12.721 -0.127 13.129
20 HB2 LYS 3 2HB LYS 3 10.027 -1.215 12.303
21 HB3 LYS 3 1HB LYS 3 11.558 -2.005 11.954
22 HG2 LYS 3 2HG LYS 3 10.491 -1.410 14.708
23 HG3 LYS 3 1HG LYS 3 10.432 -2.976 13.897
24 HD2 LYS 3 2HD LYS 3 12.892 -2.994 13.795
25 HD3 LYS 3 1HD LYS 3 12.925 -1.453 14.655
26 HE2 LYS 3 2HE LYS 3 13.333 -3.276 16.198
27 HE3 LYS 3 1HE LYS 3 11.785 -2.512 16.558
28 HZ1 LYS 3 3HZ LYS 3 12.175 -5.049 15.065
29 HZ2 LYS 3 1HZ LYS 3 10.681 -4.307 15.348
30 HZ3 LYS 3 2HZ LYS 3 11.590 -4.902 16.644
31 H LYS 4 H LYS 4 12.632 2.263 11.976
32 HA LYS 4 HA LYS 4 11.799 2.158 9.228
33 HB2 LYS 4 2HB LYS 4 13.508 4.144 10.736
34 HB3 LYS 4 1HB LYS 4 12.996 4.349 9.067
35 HG2 LYS 4 2HG LYS 4 11.105 4.061 11.391
36 HG3 LYS 4 1HG LYS 4 11.632 5.604 10.718
37 HD2 LYS 4 2HD LYS 4 10.709 4.915 8.526
38 HD3 LYS 4 1HD LYS 4 10.103 3.439 9.279
39 HE2 LYS 4 2HE LYS 4 8.705 4.747 10.772
40 HE3 LYS 4 1HE LYS 4 9.354 6.242 10.101
41 HZ1 LYS 4 3HZ LYS 4 8.407 5.619 7.950
42 HZ2 LYS 4 1HZ LYS 4 7.213 5.747 9.142
43 HZ3 LYS 4 2HZ LYS 4 7.742 4.224 8.635
44 H ASN 5 H ASN 5 12.891 0.379 8.347
45 HA ASN 5 HA ASN 5 15.770 0.827 7.915
46 HB2 ASN 5 2HB ASN 5 15.494 -1.037 9.464
47 HB3 ASN 5 1HB ASN 5 14.388 -1.829 8.345
48 HD21 ASN 5 1HD2 ASN 5 15.676 -3.655 8.213
49 HD22 ASN 5 2HD2 ASN 5 17.168 -3.671 7.343
50 H ILE 6 H ILE 6 13.233 -1.356 6.677
51 HA ILE 6 HA ILE 6 14.205 -1.599 4.097
52 HB ILE 6 HB ILE 6 11.309 -1.644 4.957
53 HG12 ILE 6 2HG1 ILE 6 13.276 -3.928 4.684
54 HG13 ILE 6 1HG1 ILE 6 12.813 -3.192 6.215
55 HG21 ILE 6 1HG2 ILE 6 10.998 -3.090 2.981
56 HG22 ILE 6 2HG2 ILE 6 12.669 -2.772 2.516
57 HG23 ILE 6 3HG2 ILE 6 11.500 -1.454 2.561
58 HD11 ILE 6 3HD1 ILE 6 10.514 -3.901 5.872
59 HD12 ILE 6 1HD1 ILE 6 11.618 -5.275 5.806
60 HD13 ILE 6 2HD1 ILE 6 10.953 -4.605 4.315
61 H LEU 7 H LEU 7 13.921 -0.503 2.189
62 HA LEU 7 HA LEU 7 13.578 1.243 0.781
63 HB2 LEU 7 2HB LEU 7 11.184 1.245 2.494
64 HB3 LEU 7 1HB LEU 7 11.519 2.774 1.703
65 HG LEU 7 HG LEU 7 11.529 1.616 -0.486
66 HD11 LEU 7 1HD1 LEU 7 10.600 -0.779 1.092
67 HD12 LEU 7 2HD1 LEU 7 12.175 -0.609 0.317
68 HD13 LEU 7 3HD1 LEU 7 10.711 -0.659 -0.665
69 HD21 LEU 7 3HD2 LEU 7 9.113 1.246 -0.603
70 HD22 LEU 7 1HD2 LEU 7 9.502 2.698 0.318
71 HD23 LEU 7 2HD2 LEU 7 9.031 1.221 1.158
72 HA PRO 8 HA PRO 8 15.655 4.681 2.588
73 HB2 PRO 8 2HB PRO 8 15.370 6.587 0.751
74 HB3 PRO 8 1HB PRO 8 16.319 5.129 0.448
75 HG2 PRO 8 2HG PRO 8 13.577 5.824 -0.444
76 HG3 PRO 8 1HG PRO 8 14.854 4.956 -1.300
77 HD2 PRO 8 2HD PRO 8 12.695 3.787 -0.008
78 HD3 PRO 8 1HD PRO 8 14.195 2.952 -0.456
79 H GLN 9 H GLN 9 14.911 7.426 1.981
80 HA GLN 9 HA GLN 9 13.225 7.900 4.198
81 HB2 GLN 9 2HB GLN 9 14.314 9.750 2.084
82 HB3 GLN 9 1HB GLN 9 13.407 10.296 3.483
83 HG2 GLN 9 2HG GLN 9 15.114 9.399 4.965
84 HG3 GLN 9 1HG GLN 9 16.020 8.813 3.569
85 HE21 GLN 9 1HE2 GLN 9 17.093 10.283 2.251
86 HE22 GLN 9 2HE2 GLN 9 17.415 11.904 2.755
87 H GLN 10 H GLN 10 12.447 6.774 1.369
88 HA GLN 10 HA GLN 10 10.250 8.387 0.556
89 HB2 GLN 10 2HB GLN 10 11.032 5.548 -0.097
90 HB3 GLN 10 1HB GLN 10 9.625 6.337 -0.796
91 HG2 GLN 10 2HG GLN 10 11.110 8.083 -1.717
92 HG3 GLN 10 1HG GLN 10 12.495 7.192 -1.089
93 HE21 GLN 10 1HE2 GLN 10 11.255 4.601 -1.669
94 HE22 GLN 10 2HE2 GLN 10 11.389 4.386 -3.378
95 H GLY 11 H GLY 11 9.803 4.964 1.305
96 HA2 GLY 11 2HA GLY 11 8.250 3.888 2.617
97 HA3 GLY 11 1HA GLY 11 8.304 5.295 3.662
98 H GLN 12 H GLN 12 7.534 6.156 0.538
99 HA GLN 12 HA GLN 12 5.001 7.069 1.188
100 HB2 GLN 12 2HB GLN 12 6.745 7.048 -1.119
101 HB3 GLN 12 1HB GLN 12 5.058 6.928 -1.563
102 HG2 GLN 12 2HG GLN 12 6.264 9.067 0.169
103 HG3 GLN 12 1HG GLN 12 5.843 9.241 -1.535
104 HE21 GLN 12 1HE2 GLN 12 4.631 8.964 1.707
105 HE22 GLN 12 2HE2 GLN 12 3.011 9.454 1.362
106 HA PRO 13 HA PRO 13 3.304 3.323 -1.456
107 HB2 PRO 13 2HB PRO 13 4.975 1.167 -1.519
108 HB3 PRO 13 1HB PRO 13 4.963 2.412 -2.774
109 HG2 PRO 13 2HG PRO 13 6.781 2.145 -0.399
110 HG3 PRO 13 1HG PRO 13 7.204 2.486 -2.090
111 HD2 PRO 13 2HD PRO 13 7.045 4.475 -0.288
112 HD3 PRO 13 1HD PRO 13 6.464 4.693 -1.953
113 H VAL 14 H VAL 14 5.023 3.320 1.470
114 HA VAL 14 HA VAL 14 3.863 0.911 2.538
115 HB VAL 14 HB VAL 14 5.127 3.127 4.146
116 HG11 VAL 14 1HG1 VAL 14 4.935 0.147 4.562
117 HG12 VAL 14 2HG1 VAL 14 4.019 1.385 5.422
118 HG13 VAL 14 3HG1 VAL 14 5.767 1.278 5.630
119 HG21 VAL 14 3HG2 VAL 14 7.289 2.090 3.806
120 HG22 VAL 14 1HG2 VAL 14 6.601 2.558 2.250
121 HG23 VAL 14 2HG2 VAL 14 6.568 0.869 2.759
122 H ILE 15 H ILE 15 2.948 4.168 2.143
123 HA ILE 15 HA ILE 15 0.909 4.073 4.230
124 HB ILE 15 HB ILE 15 1.205 6.337 2.294
125 HG12 ILE 15 2HG1 ILE 15 3.494 5.798 3.049
126 HG13 ILE 15 1HG1 ILE 15 2.943 7.347 3.669
127 HG21 ILE 15 1HG2 ILE 15 0.532 7.657 4.263
128 HG22 ILE 15 2HG2 ILE 15 0.456 6.169 5.209
129 HG23 ILE 15 3HG2 ILE 15 -0.643 6.407 3.850
130 HD11 ILE 15 3HD1 ILE 15 4.178 6.049 5.336
131 HD12 ILE 15 1HD1 ILE 15 2.969 4.770 5.220
132 HD13 ILE 15 2HD1 ILE 15 2.515 6.359 5.836
133 H ARG 16 H ARG 16 1.368 3.650 0.893
134 HA ARG 16 HA ARG 16 -1.416 3.938 0.153
135 HB2 ARG 16 2HB ARG 16 0.546 2.598 -1.635
136 HB3 ARG 16 1HB ARG 16 -0.705 3.764 -2.030
137 HG2 ARG 16 2HG ARG 16 0.686 5.519 -0.945
138 HG3 ARG 16 1HG ARG 16 1.961 4.309 -0.780
139 HD2 ARG 16 2HD ARG 16 0.708 5.236 -3.359
140 HD3 ARG 16 1HD ARG 16 2.305 5.689 -2.765
141 HE ARG 16 HE ARG 16 2.549 3.051 -2.851
142 HH11 ARG 16 1HH1 ARG 16 1.145 5.237 -5.172
143 HH12 ARG 16 2HH1 ARG 16 1.549 4.252 -6.537
144 HH21 ARG 16 1HH2 ARG 16 3.085 1.747 -4.642
145 HH22 ARG 16 2HH2 ARG 16 2.652 2.267 -6.237
146 H LEU 17 H LEU 17 0.978 1.471 0.658
147 HA LEU 17 HA LEU 17 -0.583 -0.776 -0.037
148 HB2 LEU 17 2HB LEU 17 1.929 -0.703 0.278
149 HB3 LEU 17 1HB LEU 17 1.638 -0.699 2.004
150 HG LEU 17 HG LEU 17 0.500 -2.894 1.792
151 HD11 LEU 17 1HD1 LEU 17 0.776 -4.171 -0.280
152 HD12 LEU 17 2HD1 LEU 17 1.463 -2.746 -1.061
153 HD13 LEU 17 3HD1 LEU 17 -0.217 -2.734 -0.522
154 HD21 LEU 17 3HD2 LEU 17 3.313 -2.803 0.710
155 HD22 LEU 17 1HD2 LEU 17 2.531 -4.200 1.451
156 HD23 LEU 17 2HD2 LEU 17 2.858 -2.758 2.413
157 H THR 18 H THR 18 -0.125 0.967 2.989
158 HA THR 18 HA THR 18 -1.467 -0.801 4.693
159 HB THR 18 HB THR 18 -1.121 2.194 4.835
160 HG1 THR 18 1HG THR 18 0.674 0.400 5.002
161 HG21 THR 18 3HG2 THR 18 -1.604 1.959 7.232
162 HG22 THR 18 1HG2 THR 18 -2.007 0.262 6.970
163 HG23 THR 18 2HG2 THR 18 -2.988 1.525 6.228
164 H ALA 19 H ALA 19 -2.695 2.363 3.618
165 HA ALA 19 HA ALA 19 -5.377 1.771 4.180
166 HB1 ALA 19 1HB ALA 19 -4.544 4.061 3.985
167 HB2 ALA 19 2HB ALA 19 -5.916 3.787 2.911
168 HB3 ALA 19 3HB ALA 19 -4.278 3.819 2.258
169 H GLY 20 H GLY 20 -3.366 0.779 1.660
170 HA2 GLY 20 2HA GLY 20 -5.324 0.482 -0.367
171 HA3 GLY 20 1HA GLY 20 -3.736 -0.247 -0.363
172 H GLN 21 H GLN 21 -3.803 -1.762 1.871
173 HA GLN 21 HA GLN 21 -5.152 -4.074 1.028
174 HB2 GLN 21 2HB GLN 21 -3.143 -4.015 2.521
175 HB3 GLN 21 1HB GLN 21 -4.184 -3.471 3.827
176 HG2 GLN 21 2HG GLN 21 -3.743 -5.859 3.970
177 HG3 GLN 21 1HG GLN 21 -5.456 -5.532 3.708
178 HE21 GLN 21 1HE2 GLN 21 -2.526 -6.785 2.322
179 HE22 GLN 21 2HE2 GLN 21 -3.261 -7.567 0.968
180 H LEU 22 H LEU 22 -5.956 -1.629 3.430
181 HA LEU 22 HA LEU 22 -8.273 -2.906 4.437
182 HB2 LEU 22 2HB LEU 22 -7.564 0.029 4.418
183 HB3 LEU 22 1HB LEU 22 -8.781 -0.728 5.423
184 HG LEU 22 HG LEU 22 -5.820 -1.290 5.576
185 HD11 LEU 22 1HD1 LEU 22 -7.603 0.315 7.403
186 HD12 LEU 22 2HD1 LEU 22 -6.353 0.960 6.339
187 HD13 LEU 22 3HD1 LEU 22 -5.909 -0.077 7.694
188 HD21 LEU 22 3HD2 LEU 22 -6.404 -2.477 7.645
189 HD22 LEU 22 1HD2 LEU 22 -7.151 -3.213 6.227
190 HD23 LEU 22 2HD2 LEU 22 -8.114 -2.204 7.308
191 H SER 23 H SER 23 -7.827 -0.302 2.045
192 HA SER 23 HA SER 23 -10.563 -0.032 1.474
193 HB2 SER 23 2HB SER 23 -9.004 1.774 1.010
194 HB3 SER 23 1HB SER 23 -8.189 0.760 -0.173
195 HG SER 23 HG SER 23 -9.605 1.386 -1.573
196 H SER 24 H SER 24 -8.660 -2.557 0.906
197 HA SER 24 HA SER 24 -9.814 -3.265 -1.671
198 HB2 SER 24 2HB SER 24 -7.657 -4.566 -0.011
199 HB3 SER 24 1HB SER 24 -8.286 -5.264 -1.503
200 HG SER 24 HG SER 24 -6.353 -3.553 -1.310
201 H GLN 25 H GLN 25 -9.790 -4.227 1.695
202 HA GLN 25 HA GLN 25 -11.384 -6.557 1.348
203 HB2 GLN 25 2HB GLN 25 -10.762 -4.888 3.789
204 HB3 GLN 25 1HB GLN 25 -11.658 -6.401 3.839
205 HG2 GLN 25 2HG GLN 25 -9.738 -7.601 2.983
206 HG3 GLN 25 1HG GLN 25 -8.838 -6.092 2.832
207 HE21 GLN 25 1HE2 GLN 25 -7.214 -6.778 4.206
208 HE22 GLN 25 2HE2 GLN 25 -7.443 -6.930 5.911
209 H LEU 26 H LEU 26 -12.040 -3.220 1.425
210 HA LEU 26 HA LEU 26 -14.837 -3.608 2.106
211 HB2 LEU 26 2HB LEU 26 -13.529 -0.981 1.486
212 HB3 LEU 26 1HB LEU 26 -14.986 -1.277 2.419
213 HG LEU 26 HG LEU 26 -12.313 -2.259 3.351
214 HD11 LEU 26 1HD1 LEU 26 -13.551 0.436 3.895
215 HD12 LEU 26 2HD1 LEU 26 -12.066 0.130 2.996
216 HD13 LEU 26 3HD1 LEU 26 -12.142 -0.227 4.721
217 HD21 LEU 26 3HD2 LEU 26 -14.881 -1.585 4.781
218 HD22 LEU 26 1HD2 LEU 26 -13.401 -2.168 5.544
219 HD23 LEU 26 2HD2 LEU 26 -14.282 -3.205 4.422
220 H ALA 27 H ALA 27 -12.734 -2.941 -0.549
221 HA ALA 27 HA ALA 27 -14.351 -1.749 -2.404
222 HB1 ALA 27 1HB ALA 27 -12.418 -4.005 -2.927
223 HB2 ALA 27 2HB ALA 27 -12.000 -2.296 -2.809
224 HB3 ALA 27 3HB ALA 27 -13.027 -2.863 -4.125
225 H GLU 28 H GLU 28 -14.170 -5.187 -1.615
226 HA GLU 28 HA GLU 28 -15.962 -6.155 -3.418
227 HB2 GLU 28 2HB GLU 28 -16.400 -7.962 -1.647
228 HB3 GLU 28 1HB GLU 28 -14.784 -7.799 -2.329
229 HG2 GLU 28 2HG GLU 28 -14.173 -6.399 -0.444
230 HG3 GLU 28 1HG GLU 28 -15.748 -6.691 0.271
231 H LEU 29 H LEU 29 -16.560 -4.821 -0.219
232 HA LEU 29 HA LEU 29 -19.435 -4.787 -0.850
233 HB2 LEU 29 2HB LEU 29 -18.032 -5.346 1.747
234 HB3 LEU 29 1HB LEU 29 -19.676 -4.742 1.729
235 HG LEU 29 HG LEU 29 -19.734 -7.122 2.003
236 HD11 LEU 29 1HD1 LEU 29 -21.102 -7.786 0.106
237 HD12 LEU 29 2HD1 LEU 29 -20.495 -6.418 -0.826
238 HD13 LEU 29 3HD1 LEU 29 -21.481 -6.138 0.609
239 HD21 LEU 29 3HD2 LEU 29 -18.205 -7.377 -0.580
240 HD22 LEU 29 1HD2 LEU 29 -18.748 -8.681 0.474
241 HD23 LEU 29 2HD2 LEU 29 -17.496 -7.567 1.023
242 H SER 30 H SER 30 -18.126 -2.733 -1.787
243 HA SER 30 HA SER 30 -17.393 -0.617 -0.258
244 HB2 SER 30 2HB SER 30 -17.198 -0.610 -2.690
245 HB3 SER 30 1HB SER 30 -18.952 -0.524 -2.847
246 HG SER 30 HG SER 30 -18.727 1.493 -1.575
247 H GLU 31 H GLU 31 -20.677 -1.531 -1.186
248 HA GLU 31 HA GLU 31 -22.043 0.678 -0.187
249 HB2 GLU 31 2HB GLU 31 -23.007 -2.185 -0.243
250 HB3 GLU 31 1HB GLU 31 -24.014 -0.749 -0.158
251 HG2 GLU 31 2HG GLU 31 -23.391 -0.084 -2.346
252 HG3 GLU 31 1HG GLU 31 -22.178 -1.360 -2.449
253 H GLU 32 H GLU 32 -22.326 1.429 1.803
254 HA GLU 32 HA GLU 32 -22.499 -0.406 4.054
255 HB2 GLU 32 2HB GLU 32 -20.836 0.853 5.372
256 HB3 GLU 32 1HB GLU 32 -20.120 0.073 3.968
257 HG2 GLU 32 2HG GLU 32 -20.149 2.200 2.770
258 HG3 GLU 32 1HG GLU 32 -20.870 2.980 4.177
259 H ALA 33 H ALA 33 -24.086 1.704 2.496
260 HA ALA 33 HA ALA 33 -25.191 2.999 4.877
261 HB1 ALA 33 1HB ALA 33 -24.541 4.493 2.338
262 HB2 ALA 33 2HB ALA 33 -23.673 4.635 3.868
263 HB3 ALA 33 3HB ALA 33 -25.356 5.155 3.756
264 H LEU 34 H LEU 34 -27.289 2.587 4.973
265 HA LEU 34 HA LEU 34 -28.725 1.993 2.475
266 HB2 LEU 34 2HB LEU 34 -28.518 0.371 4.565
267 HB3 LEU 34 1HB LEU 34 -29.856 1.334 5.155
268 HG LEU 34 HG LEU 34 -30.669 -0.689 4.090
269 HD11 LEU 34 1HD1 LEU 34 -32.055 1.304 3.918
270 HD12 LEU 34 2HD1 LEU 34 -32.225 0.288 2.486
271 HD13 LEU 34 3HD1 LEU 34 -31.242 1.750 2.417
272 HD21 LEU 34 3HD2 LEU 34 -28.804 -1.087 2.576
273 HD22 LEU 34 1HD2 LEU 34 -29.278 0.311 1.610
274 HD23 LEU 34 2HD2 LEU 34 -30.338 -1.095 1.705
Start of MODEL 8
1 H1 MET 1 1HT MET 1 7.314 6.058 20.177
2 H2 MET 1 2HT MET 1 8.381 5.048 19.342
3 H3 MET 1 3HT MET 1 7.228 5.947 18.491
4 HA MET 1 HA MET 1 8.275 7.995 19.082
5 HB2 MET 1 2HB MET 1 10.245 6.234 20.555
6 HB3 MET 1 1HB MET 1 10.426 7.964 20.307
7 HG2 MET 1 2HG MET 1 8.362 8.344 21.586
8 HG3 MET 1 1HG MET 1 8.245 6.609 21.875
9 HE1 MET 1 2HE MET 1 8.104 7.085 24.521
10 HE2 MET 1 3HE MET 1 8.205 8.811 24.174
11 HE3 MET 1 1HE MET 1 9.273 8.089 25.378
12 H ASN 2 H ASN 2 8.683 8.320 16.979
13 HA ASN 2 HA ASN 2 11.238 7.538 15.929
14 HB2 ASN 2 2HB ASN 2 9.979 5.508 15.422
15 HB3 ASN 2 1HB ASN 2 8.725 6.460 14.631
16 HD21 ASN 2 1HD2 ASN 2 11.972 5.242 14.414
17 HD22 ASN 2 2HD2 ASN 2 12.190 5.549 12.727
18 H LYS 3 H LYS 3 11.971 9.214 14.830
19 HA LYS 3 HA LYS 3 10.028 11.057 13.602
20 HB2 LYS 3 2HB LYS 3 11.841 12.781 13.854
21 HB3 LYS 3 1HB LYS 3 11.178 12.181 15.369
22 HG2 LYS 3 2HG LYS 3 13.102 10.722 15.656
23 HG3 LYS 3 1HG LYS 3 13.760 11.270 14.113
24 HD2 LYS 3 2HD LYS 3 13.172 13.117 16.421
25 HD3 LYS 3 1HD LYS 3 14.745 12.361 16.155
26 HE2 LYS 3 2HE LYS 3 14.885 13.427 13.958
27 HE3 LYS 3 1HE LYS 3 13.311 14.176 14.219
28 HZ1 LYS 3 3HZ LYS 3 15.112 15.711 14.691
29 HZ2 LYS 3 1HZ LYS 3 15.742 14.655 15.854
30 HZ3 LYS 3 2HZ LYS 3 14.233 15.379 16.097
31 H LYS 4 H LYS 4 10.594 8.963 12.067
32 HA LYS 4 HA LYS 4 12.444 10.052 10.055
33 HB2 LYS 4 2HB LYS 4 12.071 7.126 10.724
34 HB3 LYS 4 1HB LYS 4 13.122 7.774 9.472
35 HG2 LYS 4 2HG LYS 4 13.432 8.391 12.401
36 HG3 LYS 4 1HG LYS 4 14.284 7.089 11.569
37 HD2 LYS 4 2HD LYS 4 14.417 9.971 10.704
38 HD3 LYS 4 1HD LYS 4 15.570 9.242 11.821
39 HE2 LYS 4 2HE LYS 4 15.011 8.280 9.018
40 HE3 LYS 4 1HE LYS 4 16.390 9.268 9.497
41 HZ1 LYS 4 3HZ LYS 4 17.003 6.948 9.369
42 HZ2 LYS 4 1HZ LYS 4 15.788 6.527 10.470
43 HZ3 LYS 4 2HZ LYS 4 17.094 7.476 10.974
44 H ASN 5 H ASN 5 9.540 10.299 10.362
45 HA ASN 5 HA ASN 5 8.205 8.565 8.571
46 HB2 ASN 5 2HB ASN 5 6.385 10.199 8.639
47 HB3 ASN 5 1HB ASN 5 7.017 9.904 10.257
48 HD21 ASN 5 1HD2 ASN 5 5.541 12.188 9.195
49 HD22 ASN 5 2HD2 ASN 5 6.535 13.571 9.481
50 H ILE 6 H ILE 6 10.081 11.468 8.134
51 HA ILE 6 HA ILE 6 9.188 12.019 5.474
52 HB ILE 6 HB ILE 6 11.751 12.914 6.798
53 HG12 ILE 6 2HG1 ILE 6 9.797 13.527 8.158
54 HG13 ILE 6 1HG1 ILE 6 10.532 14.947 7.426
55 HG21 ILE 6 1HG2 ILE 6 11.612 14.783 5.201
56 HG22 ILE 6 2HG2 ILE 6 10.202 14.022 4.464
57 HG23 ILE 6 3HG2 ILE 6 11.770 13.219 4.401
58 HD11 ILE 6 3HD1 ILE 6 8.032 13.549 6.503
59 HD12 ILE 6 1HD1 ILE 6 8.783 14.926 5.696
60 HD13 ILE 6 2HD1 ILE 6 8.133 15.107 7.326
61 H LEU 7 H LEU 7 9.439 10.291 4.123
62 HA LEU 7 HA LEU 7 12.207 9.485 3.567
63 HB2 LEU 7 2HB LEU 7 9.853 7.739 4.138
64 HB3 LEU 7 1HB LEU 7 11.063 7.183 2.997
65 HG LEU 7 HG LEU 7 11.888 8.115 5.718
66 HD11 LEU 7 1HD1 LEU 7 10.959 5.330 5.033
67 HD12 LEU 7 2HD1 LEU 7 10.093 6.474 6.060
68 HD13 LEU 7 3HD1 LEU 7 11.664 5.851 6.564
69 HD21 LEU 7 3HD2 LEU 7 13.018 6.107 3.777
70 HD22 LEU 7 1HD2 LEU 7 13.716 6.536 5.337
71 HD23 LEU 7 2HD2 LEU 7 13.619 7.741 4.055
72 HA PRO 8 HA PRO 8 11.206 10.110 -0.671
73 HB2 PRO 8 2HB PRO 8 12.713 8.292 -1.937
74 HB3 PRO 8 1HB PRO 8 13.405 9.698 -1.122
75 HG2 PRO 8 2HG PRO 8 13.182 6.882 -0.173
76 HG3 PRO 8 1HG PRO 8 14.539 8.010 -0.045
77 HD2 PRO 8 2HD PRO 8 12.822 7.505 2.004
78 HD3 PRO 8 1HD PRO 8 13.668 9.052 1.801
79 H GLN 9 H GLN 9 11.465 7.801 -2.525
80 HA GLN 9 HA GLN 9 8.739 7.055 -2.563
81 HB2 GLN 9 2HB GLN 9 11.090 6.132 -4.203
82 HB3 GLN 9 1HB GLN 9 9.437 5.636 -4.509
83 HG2 GLN 9 2HG GLN 9 8.805 7.959 -4.909
84 HG3 GLN 9 1HG GLN 9 10.468 8.458 -4.603
85 HE21 GLN 9 1HE2 GLN 9 8.829 8.778 -6.994
86 HE22 GLN 9 2HE2 GLN 9 9.696 8.012 -8.277
87 H GLN 10 H GLN 10 10.999 6.081 -0.612
88 HA GLN 10 HA GLN 10 10.640 3.228 -0.694
89 HB2 GLN 10 2HB GLN 10 12.041 5.027 1.283
90 HB3 GLN 10 1HB GLN 10 11.990 3.277 1.423
91 HG2 GLN 10 2HG GLN 10 13.096 3.116 -0.788
92 HG3 GLN 10 1HG GLN 10 13.244 4.873 -0.796
93 HE21 GLN 10 1HE2 GLN 10 14.681 5.866 0.621
94 HE22 GLN 10 2HE2 GLN 10 15.934 4.989 1.424
95 H GLY 11 H GLY 11 9.692 5.860 1.506
96 HA2 GLY 11 2HA GLY 11 7.951 4.002 2.952
97 HA3 GLY 11 1HA GLY 11 8.386 5.621 3.467
98 H GLN 12 H GLN 12 7.628 5.783 0.280
99 HA GLN 12 HA GLN 12 5.210 7.150 0.746
100 HB2 GLN 12 2HB GLN 12 7.025 6.675 -1.470
101 HB3 GLN 12 1HB GLN 12 5.348 6.764 -1.958
102 HG2 GLN 12 2HG GLN 12 5.160 8.944 -0.827
103 HG3 GLN 12 1HG GLN 12 6.872 8.842 -0.419
104 HE21 GLN 12 1HE2 GLN 12 5.415 10.803 -2.036
105 HE22 GLN 12 2HE2 GLN 12 6.187 10.809 -3.582
106 HA PRO 13 HA PRO 13 3.171 3.401 -1.462
107 HB2 PRO 13 2HB PRO 13 5.103 1.226 -1.451
108 HB3 PRO 13 1HB PRO 13 4.318 1.999 -2.831
109 HG2 PRO 13 2HG PRO 13 6.972 2.261 -2.321
110 HG3 PRO 13 1HG PRO 13 6.014 3.533 -3.105
111 HD2 PRO 13 2HD PRO 13 6.836 3.296 -0.224
112 HD3 PRO 13 1HD PRO 13 6.890 4.728 -1.280
113 H VAL 14 H VAL 14 5.002 3.274 1.369
114 HA VAL 14 HA VAL 14 3.840 0.875 2.448
115 HB VAL 14 HB VAL 14 5.200 3.127 3.947
116 HG11 VAL 14 1HG1 VAL 14 4.686 0.247 4.676
117 HG12 VAL 14 2HG1 VAL 14 3.931 1.667 5.397
118 HG13 VAL 14 3HG1 VAL 14 5.656 1.376 5.622
119 HG21 VAL 14 3HG2 VAL 14 7.241 1.775 3.806
120 HG22 VAL 14 1HG2 VAL 14 6.677 2.273 2.211
121 HG23 VAL 14 2HG2 VAL 14 6.401 0.623 2.768
122 H ILE 15 H ILE 15 3.000 4.192 2.166
123 HA ILE 15 HA ILE 15 0.967 4.097 4.238
124 HB ILE 15 HB ILE 15 1.534 6.294 2.244
125 HG12 ILE 15 2HG1 ILE 15 3.532 5.673 3.602
126 HG13 ILE 15 1HG1 ILE 15 2.969 7.311 3.887
127 HG21 ILE 15 1HG2 ILE 15 0.084 6.284 4.890
128 HG22 ILE 15 2HG2 ILE 15 -0.630 6.503 3.292
129 HG23 ILE 15 3HG2 ILE 15 0.456 7.728 3.947
130 HD11 ILE 15 3HD1 ILE 15 2.392 4.949 5.658
131 HD12 ILE 15 1HD1 ILE 15 1.935 6.624 5.963
132 HD13 ILE 15 2HD1 ILE 15 3.637 6.164 5.946
133 H ARG 16 H ARG 16 1.325 3.674 0.877
134 HA ARG 16 HA ARG 16 -1.485 3.977 0.246
135 HB2 ARG 16 2HB ARG 16 0.412 2.646 -1.621
136 HB3 ARG 16 1HB ARG 16 -0.863 3.800 -1.966
137 HG2 ARG 16 2HG ARG 16 0.552 5.563 -0.918
138 HG3 ARG 16 1HG ARG 16 1.843 4.362 -0.818
139 HD2 ARG 16 2HD ARG 16 0.468 5.252 -3.351
140 HD3 ARG 16 1HD ARG 16 2.051 5.805 -2.805
141 HE ARG 16 HE ARG 16 1.782 2.940 -3.100
142 HH11 ARG 16 1HH1 ARG 16 2.685 5.950 -4.607
143 HH12 ARG 16 2HH1 ARG 16 3.699 5.201 -5.794
144 HH21 ARG 16 1HH2 ARG 16 3.113 1.944 -4.661
145 HH22 ARG 16 2HH2 ARG 16 3.941 2.923 -5.826
146 H LEU 17 H LEU 17 0.909 1.494 0.655
147 HA LEU 17 HA LEU 17 -0.710 -0.729 -0.006
148 HB2 LEU 17 2HB LEU 17 1.826 -0.661 0.207
149 HB3 LEU 17 1HB LEU 17 1.591 -0.743 1.940
150 HG LEU 17 HG LEU 17 0.436 -2.915 1.665
151 HD11 LEU 17 1HD1 LEU 17 0.610 -4.085 -0.483
152 HD12 LEU 17 2HD1 LEU 17 1.263 -2.620 -1.219
153 HD13 LEU 17 3HD1 LEU 17 -0.389 -2.636 -0.600
154 HD21 LEU 17 3HD2 LEU 17 2.441 -4.215 1.149
155 HD22 LEU 17 1HD2 LEU 17 2.816 -2.838 2.185
156 HD23 LEU 17 2HD2 LEU 17 3.199 -2.777 0.464
157 H THR 18 H THR 18 -0.086 0.963 3.026
158 HA THR 18 HA THR 18 -1.350 -0.819 4.768
159 HB THR 18 HB THR 18 -0.999 2.174 4.914
160 HG1 THR 18 1HG THR 18 0.548 1.177 6.636
161 HG21 THR 18 3HG2 THR 18 -2.831 1.540 6.356
162 HG22 THR 18 1HG2 THR 18 -1.414 1.926 7.331
163 HG23 THR 18 2HG2 THR 18 -1.866 0.243 7.059
164 H ALA 19 H ALA 19 -2.652 2.350 3.812
165 HA ALA 19 HA ALA 19 -5.306 1.701 4.462
166 HB1 ALA 19 1HB ALA 19 -4.502 4.007 4.335
167 HB2 ALA 19 2HB ALA 19 -5.913 3.763 3.306
168 HB3 ALA 19 3HB ALA 19 -4.304 3.840 2.591
169 H GLY 20 H GLY 20 -3.392 0.840 1.816
170 HA2 GLY 20 2HA GLY 20 -5.450 0.623 -0.127
171 HA3 GLY 20 1HA GLY 20 -3.847 -0.058 -0.253
172 H GLN 21 H GLN 21 -3.873 -1.631 2.039
173 HA GLN 21 HA GLN 21 -5.118 -3.970 1.074
174 HB2 GLN 21 2HB GLN 21 -3.088 -3.846 2.569
175 HB3 GLN 21 1HB GLN 21 -4.177 -3.492 3.901
176 HG2 GLN 21 2HG GLN 21 -3.601 -5.826 3.916
177 HG3 GLN 21 1HG GLN 21 -5.309 -5.639 3.525
178 HE21 GLN 21 1HE2 GLN 21 -2.167 -6.509 2.321
179 HE22 GLN 21 2HE2 GLN 21 -2.710 -7.262 0.864
180 H LEU 22 H LEU 22 -6.005 -1.668 3.597
181 HA LEU 22 HA LEU 22 -8.283 -3.131 4.493
182 HB2 LEU 22 2HB LEU 22 -7.304 -0.322 4.898
183 HB3 LEU 22 1HB LEU 22 -8.875 -0.822 5.490
184 HG LEU 22 HG LEU 22 -7.734 -2.615 6.817
185 HD11 LEU 22 1HD1 LEU 22 -5.686 -2.770 5.495
186 HD12 LEU 22 2HD1 LEU 22 -5.334 -2.430 7.190
187 HD13 LEU 22 3HD1 LEU 22 -5.238 -1.138 5.993
188 HD21 LEU 22 3HD2 LEU 22 -8.416 -0.451 7.786
189 HD22 LEU 22 1HD2 LEU 22 -6.820 0.195 7.410
190 HD23 LEU 22 2HD2 LEU 22 -6.986 -1.127 8.565
191 H SER 23 H SER 23 -7.833 -0.358 2.316
192 HA SER 23 HA SER 23 -10.582 -0.027 1.801
193 HB2 SER 23 2HB SER 23 -8.994 1.802 1.476
194 HB3 SER 23 1HB SER 23 -8.237 0.892 0.177
195 HG SER 23 HG SER 23 -9.982 1.196 -1.087
196 H SER 24 H SER 24 -8.715 -2.516 1.065
197 HA SER 24 HA SER 24 -9.858 -3.033 -1.564
198 HB2 SER 24 2HB SER 24 -7.682 -4.415 -0.000
199 HB3 SER 24 1HB SER 24 -8.336 -5.062 -1.504
200 HG SER 24 HG SER 24 -7.385 -3.501 -2.610
201 H GLN 25 H GLN 25 -9.903 -4.136 1.739
202 HA GLN 25 HA GLN 25 -11.417 -6.495 1.280
203 HB2 GLN 25 2HB GLN 25 -10.949 -4.857 3.775
204 HB3 GLN 25 1HB GLN 25 -11.808 -6.393 3.760
205 HG2 GLN 25 2HG GLN 25 -9.793 -7.491 2.894
206 HG3 GLN 25 1HG GLN 25 -8.939 -5.950 2.962
207 HE21 GLN 25 1HE2 GLN 25 -8.383 -8.467 4.329
208 HE22 GLN 25 2HE2 GLN 25 -8.380 -8.104 6.017
209 H LEU 26 H LEU 26 -12.184 -3.161 1.500
210 HA LEU 26 HA LEU 26 -14.993 -3.683 1.993
211 HB2 LEU 26 2HB LEU 26 -13.737 -0.993 1.556
212 HB3 LEU 26 1HB LEU 26 -15.249 -1.362 2.366
213 HG LEU 26 HG LEU 26 -12.593 -2.259 3.438
214 HD11 LEU 26 1HD1 LEU 26 -12.724 -0.325 4.971
215 HD12 LEU 26 2HD1 LEU 26 -14.091 0.289 4.041
216 HD13 LEU 26 3HD1 LEU 26 -12.502 0.154 3.288
217 HD21 LEU 26 3HD2 LEU 26 -15.304 -1.904 4.706
218 HD22 LEU 26 1HD2 LEU 26 -13.838 -2.413 5.544
219 HD23 LEU 26 2HD2 LEU 26 -14.540 -3.437 4.291
220 H ALA 27 H ALA 27 -12.790 -2.767 -0.514
221 HA ALA 27 HA ALA 27 -14.393 -1.593 -2.394
222 HB1 ALA 27 1HB ALA 27 -12.906 -2.522 -4.094
223 HB2 ALA 27 2HB ALA 27 -12.271 -3.673 -2.919
224 HB3 ALA 27 3HB ALA 27 -11.992 -1.946 -2.702
225 H GLU 28 H GLU 28 -13.993 -5.053 -1.778
226 HA GLU 28 HA GLU 28 -15.628 -6.036 -3.720
227 HB2 GLU 28 2HB GLU 28 -16.011 -7.974 -2.075
228 HB3 GLU 28 1HB GLU 28 -14.386 -7.661 -2.681
229 HG2 GLU 28 2HG GLU 28 -13.944 -6.346 -0.691
230 HG3 GLU 28 1HG GLU 28 -15.522 -6.783 -0.062
231 H LEU 29 H LEU 29 -16.463 -4.970 -0.467
232 HA LEU 29 HA LEU 29 -19.270 -4.859 -1.301
233 HB2 LEU 29 2HB LEU 29 -18.159 -6.201 1.130
234 HB3 LEU 29 1HB LEU 29 -19.780 -5.532 1.149
235 HG LEU 29 HG LEU 29 -20.039 -6.970 -1.052
236 HD11 LEU 29 1HD1 LEU 29 -17.849 -8.383 0.456
237 HD12 LEU 29 2HD1 LEU 29 -17.763 -7.731 -1.181
238 HD13 LEU 29 3HD1 LEU 29 -18.817 -9.101 -0.831
239 HD21 LEU 29 3HD2 LEU 29 -20.953 -8.769 0.312
240 HD22 LEU 29 1HD2 LEU 29 -21.381 -7.187 0.964
241 HD23 LEU 29 2HD2 LEU 29 -20.104 -8.137 1.723
242 H SER 30 H SER 30 -18.462 -2.600 -1.582
243 HA SER 30 HA SER 30 -17.562 -0.927 0.353
244 HB2 SER 30 2HB SER 30 -17.850 -0.223 -1.966
245 HB3 SER 30 1HB SER 30 -19.602 -0.282 -1.785
246 HG SER 30 HG SER 30 -19.564 1.518 -0.618
247 H GLU 31 H GLU 31 -21.008 -1.439 -0.413
248 HA GLU 31 HA GLU 31 -22.038 0.069 1.698
249 HB2 GLU 31 2HB GLU 31 -23.286 -2.341 0.364
250 HB3 GLU 31 1HB GLU 31 -24.135 -1.124 1.306
251 HG2 GLU 31 2HG GLU 31 -23.700 0.549 -0.310
252 HG3 GLU 31 1HG GLU 31 -22.622 -0.516 -1.211
253 H GLU 32 H GLU 32 -23.057 -0.621 3.671
254 HA GLU 32 HA GLU 32 -21.954 -3.127 4.760
255 HB2 GLU 32 2HB GLU 32 -21.633 -2.020 6.912
256 HB3 GLU 32 1HB GLU 32 -20.718 -1.204 5.653
257 HG2 GLU 32 2HG GLU 32 -22.436 0.520 5.514
258 HG3 GLU 32 1HG GLU 32 -23.366 -0.303 6.765
259 H ALA 33 H ALA 33 -24.653 -1.094 4.294
260 HA ALA 33 HA ALA 33 -26.858 -1.265 4.803
261 HB1 ALA 33 1HB ALA 33 -27.783 -3.480 5.186
262 HB2 ALA 33 2HB ALA 33 -26.169 -4.117 5.503
263 HB3 ALA 33 3HB ALA 33 -26.584 -3.526 3.895
264 H LEU 34 H LEU 34 -25.916 -3.639 7.232
265 HA LEU 34 HA LEU 34 -26.173 -3.696 9.490
266 HB2 LEU 34 2HB LEU 34 -24.378 -1.851 9.058
267 HB3 LEU 34 1HB LEU 34 -25.639 -0.747 9.571
268 HG LEU 34 HG LEU 34 -24.732 -3.062 11.273
269 HD11 LEU 34 1HD1 LEU 34 -23.336 -1.472 12.491
270 HD12 LEU 34 2HD1 LEU 34 -23.727 -0.219 11.313
271 HD13 LEU 34 3HD1 LEU 34 -22.805 -1.639 10.818
272 HD21 LEU 34 3HD2 LEU 34 -26.222 -0.510 11.879
273 HD22 LEU 34 1HD2 LEU 34 -25.697 -1.693 13.079
274 HD23 LEU 34 2HD2 LEU 34 -26.894 -2.142 11.863
Start of MODEL 9
1 H1 MET 1 1HT MET 1 8.069 -11.594 7.931
2 H2 MET 1 2HT MET 1 9.714 -11.886 8.198
3 H3 MET 1 3HT MET 1 8.597 -13.147 8.344
4 HA MET 1 HA MET 1 9.792 -13.353 6.286
5 HB2 MET 1 2HB MET 1 6.928 -12.451 5.921
6 HB3 MET 1 1HB MET 1 7.854 -13.364 4.740
7 HG2 MET 1 2HG MET 1 8.039 -15.221 6.302
8 HG3 MET 1 1HG MET 1 7.138 -14.303 7.509
9 HE1 MET 1 2HE MET 1 6.368 -17.270 6.517
10 HE2 MET 1 3HE MET 1 4.615 -17.111 6.413
11 HE3 MET 1 1HE MET 1 5.488 -16.385 7.763
12 H ASN 2 H ASN 2 10.909 -12.389 4.706
13 HA ASN 2 HA ASN 2 10.457 -9.513 4.273
14 HB2 ASN 2 2HB ASN 2 12.963 -11.164 3.882
15 HB3 ASN 2 1HB ASN 2 12.817 -9.454 3.490
16 HD21 ASN 2 1HD2 ASN 2 11.139 -8.854 5.773
17 HD22 ASN 2 2HD2 ASN 2 12.172 -8.885 7.158
18 H LYS 3 H LYS 3 9.581 -8.952 2.402
19 HA LYS 3 HA LYS 3 10.092 -10.629 0.038
20 HB2 LYS 3 2HB LYS 3 7.456 -9.350 0.786
21 HB3 LYS 3 1HB LYS 3 7.779 -10.218 -0.707
22 HG2 LYS 3 2HG LYS 3 8.173 -12.266 0.557
23 HG3 LYS 3 1HG LYS 3 7.866 -11.396 2.063
24 HD2 LYS 3 2HD LYS 3 5.587 -10.916 1.330
25 HD3 LYS 3 1HD LYS 3 5.893 -11.753 -0.193
26 HE2 LYS 3 2HE LYS 3 6.279 -13.835 1.027
27 HE3 LYS 3 1HE LYS 3 5.992 -12.999 2.553
28 HZ1 LYS 3 3HZ LYS 3 4.013 -13.357 0.366
29 HZ2 LYS 3 1HZ LYS 3 3.733 -12.525 1.814
30 HZ3 LYS 3 2HZ LYS 3 4.028 -14.191 1.839
31 H LYS 4 H LYS 4 11.728 -8.597 0.377
32 HA LYS 4 HA LYS 4 12.568 -6.708 -0.566
33 HB2 LYS 4 2HB LYS 4 10.400 -7.221 -2.611
34 HB3 LYS 4 1HB LYS 4 11.735 -6.096 -2.815
35 HG2 LYS 4 2HG LYS 4 12.109 -9.041 -2.342
36 HG3 LYS 4 1HG LYS 4 12.012 -8.310 -3.945
37 HD2 LYS 4 2HD LYS 4 13.950 -6.906 -3.417
38 HD3 LYS 4 1HD LYS 4 14.043 -7.641 -1.815
39 HE2 LYS 4 2HE LYS 4 14.489 -9.807 -2.799
40 HE3 LYS 4 1HE LYS 4 14.294 -9.141 -4.419
41 HZ1 LYS 4 3HZ LYS 4 16.218 -7.729 -4.029
42 HZ2 LYS 4 1HZ LYS 4 16.625 -9.359 -3.828
43 HZ3 LYS 4 2HZ LYS 4 16.404 -8.369 -2.475
44 H ASN 5 H ASN 5 10.395 -6.512 1.410
45 HA ASN 5 HA ASN 5 8.933 -4.130 0.593
46 HB2 ASN 5 2HB ASN 5 8.856 -5.733 3.160
47 HB3 ASN 5 1HB ASN 5 7.827 -4.348 2.810
48 HD21 ASN 5 1HD2 ASN 5 6.188 -4.543 1.290
49 HD22 ASN 5 2HD2 ASN 5 5.629 -6.079 0.733
50 H ILE 6 H ILE 6 11.914 -4.242 1.108
51 HA ILE 6 HA ILE 6 12.137 -2.383 3.357
52 HB ILE 6 HB ILE 6 14.372 -3.614 1.745
53 HG12 ILE 6 2HG1 ILE 6 13.231 -4.520 4.401
54 HG13 ILE 6 1HG1 ILE 6 12.978 -5.338 2.862
55 HG21 ILE 6 1HG2 ILE 6 14.976 -1.581 2.942
56 HG22 ILE 6 2HG2 ILE 6 15.752 -2.989 3.667
57 HG23 ILE 6 3HG2 ILE 6 14.343 -2.263 4.440
58 HD11 ILE 6 3HD1 ILE 6 14.683 -6.461 4.149
59 HD12 ILE 6 1HD1 ILE 6 15.612 -4.966 4.271
60 HD13 ILE 6 2HD1 ILE 6 15.392 -5.743 2.703
61 H LEU 7 H LEU 7 11.292 -0.512 2.419
62 HA LEU 7 HA LEU 7 12.548 0.533 0.008
63 HB2 LEU 7 2HB LEU 7 10.149 1.247 1.631
64 HB3 LEU 7 1HB LEU 7 10.884 2.490 0.637
65 HG LEU 7 HG LEU 7 10.194 -0.139 -0.600
66 HD11 LEU 7 1HD1 LEU 7 8.250 2.107 -0.079
67 HD12 LEU 7 2HD1 LEU 7 8.171 0.476 0.591
68 HD13 LEU 7 3HD1 LEU 7 7.959 0.729 -1.142
69 HD21 LEU 7 3HD2 LEU 7 10.228 2.701 -1.610
70 HD22 LEU 7 1HD2 LEU 7 9.868 1.267 -2.573
71 HD23 LEU 7 2HD2 LEU 7 11.477 1.486 -1.882
72 HA PRO 8 HA PRO 8 15.305 3.267 2.081
73 HB2 PRO 8 2HB PRO 8 15.417 5.372 0.419
74 HB3 PRO 8 1HB PRO 8 16.132 3.805 0.026
75 HG2 PRO 8 2HG PRO 8 13.544 4.978 -0.855
76 HG3 PRO 8 1HG PRO 8 14.737 4.059 -1.781
77 HD2 PRO 8 2HD PRO 8 12.439 2.982 -0.790
78 HD3 PRO 8 1HD PRO 8 13.919 2.044 -1.072
79 H GLN 9 H GLN 9 15.011 6.180 1.577
80 HA GLN 9 HA GLN 9 13.508 6.804 3.888
81 HB2 GLN 9 2HB GLN 9 14.846 8.519 1.811
82 HB3 GLN 9 1HB GLN 9 13.998 9.193 3.189
83 HG2 GLN 9 2HG GLN 9 15.522 7.937 4.683
84 HG3 GLN 9 1HG GLN 9 16.416 7.410 3.259
85 HE21 GLN 9 1HE2 GLN 9 16.038 9.964 1.889
86 HE22 GLN 9 2HE2 GLN 9 17.111 11.079 2.654
87 H GLN 10 H GLN 10 12.462 5.927 1.060
88 HA GLN 10 HA GLN 10 10.506 7.884 0.396
89 HB2 GLN 10 2HB GLN 10 10.775 4.979 -0.377
90 HB3 GLN 10 1HB GLN 10 9.534 6.045 -1.019
91 HG2 GLN 10 2HG GLN 10 11.287 7.505 -1.930
92 HG3 GLN 10 1HG GLN 10 12.509 6.387 -1.327
93 HE21 GLN 10 1HE2 GLN 10 10.004 6.910 -3.677
94 HE22 GLN 10 2HE2 GLN 10 10.419 5.592 -4.714
95 H GLY 11 H GLY 11 9.655 4.525 1.142
96 HA2 GLY 11 2HA GLY 11 8.051 3.645 2.539
97 HA3 GLY 11 1HA GLY 11 8.228 5.091 3.515
98 H GLN 12 H GLN 12 7.533 5.924 0.385
99 HA GLN 12 HA GLN 12 5.069 7.047 0.968
100 HB2 GLN 12 2HB GLN 12 6.836 6.813 -1.300
101 HB3 GLN 12 1HB GLN 12 5.153 6.762 -1.779
102 HG2 GLN 12 2HG GLN 12 6.434 8.910 -0.117
103 HG3 GLN 12 1HG GLN 12 6.062 9.027 -1.836
104 HE21 GLN 12 1HE2 GLN 12 3.919 9.230 -2.491
105 HE22 GLN 12 2HE2 GLN 12 2.663 9.684 -1.396
106 HA PRO 13 HA PRO 13 3.055 3.356 -1.332
107 HB2 PRO 13 2HB PRO 13 5.014 1.232 -1.546
108 HB3 PRO 13 1HB PRO 13 4.180 2.094 -2.842
109 HG2 PRO 13 2HG PRO 13 6.855 2.343 -2.365
110 HG3 PRO 13 1HG PRO 13 5.869 3.631 -3.083
111 HD2 PRO 13 2HD PRO 13 6.764 3.299 -0.237
112 HD3 PRO 13 1HD PRO 13 6.742 4.774 -1.232
113 H VAL 14 H VAL 14 5.085 3.060 1.370
114 HA VAL 14 HA VAL 14 3.986 0.604 2.366
115 HB VAL 14 HB VAL 14 5.425 2.769 3.919
116 HG11 VAL 14 1HG1 VAL 14 4.989 -0.157 4.512
117 HG12 VAL 14 2HG1 VAL 14 4.221 1.201 5.335
118 HG13 VAL 14 3HG1 VAL 14 5.962 0.952 5.478
119 HG21 VAL 14 3HG2 VAL 14 6.560 0.331 2.549
120 HG22 VAL 14 1HG2 VAL 14 7.457 1.453 3.571
121 HG23 VAL 14 2HG2 VAL 14 6.783 2.004 2.036
122 H ILE 15 H ILE 15 3.112 3.925 2.345
123 HA ILE 15 HA ILE 15 1.148 3.624 4.476
124 HB ILE 15 HB ILE 15 1.597 6.054 2.756
125 HG12 ILE 15 2HG1 ILE 15 3.735 5.293 3.784
126 HG13 ILE 15 1HG1 ILE 15 3.203 6.861 4.368
127 HG21 ILE 15 1HG2 ILE 15 0.703 7.240 4.716
128 HG22 ILE 15 2HG2 ILE 15 0.472 5.693 5.529
129 HG23 ILE 15 3HG2 ILE 15 -0.440 6.065 4.067
130 HD11 ILE 15 3HD1 ILE 15 2.855 4.249 5.821
131 HD12 ILE 15 1HD1 ILE 15 2.397 5.844 6.418
132 HD13 ILE 15 2HD1 ILE 15 4.097 5.456 6.155
133 H ARG 16 H ARG 16 1.442 3.672 1.068
134 HA ARG 16 HA ARG 16 -1.360 4.058 0.534
135 HB2 ARG 16 2HB ARG 16 -0.641 4.590 -1.493
136 HB3 ARG 16 1HB ARG 16 1.001 4.288 -0.943
137 HG2 ARG 16 2HG ARG 16 0.866 2.010 -1.659
138 HG3 ARG 16 1HG ARG 16 -0.825 2.209 -2.113
139 HD2 ARG 16 2HD ARG 16 0.486 2.368 -4.105
140 HD3 ARG 16 1HD ARG 16 -0.129 3.973 -3.700
141 HE ARG 16 HE ARG 16 2.270 4.062 -2.566
142 HH11 ARG 16 1HH1 ARG 16 1.311 2.910 -5.712
143 HH12 ARG 16 2HH1 ARG 16 2.819 3.314 -6.461
144 HH21 ARG 16 1HH2 ARG 16 4.258 4.601 -3.545
145 HH22 ARG 16 2HH2 ARG 16 4.494 4.276 -5.231
146 H LEU 17 H LEU 17 0.884 1.479 0.943
147 HA LEU 17 HA LEU 17 -0.819 -0.598 -0.056
148 HB2 LEU 17 2HB LEU 17 1.740 -0.640 0.169
149 HB3 LEU 17 1HB LEU 17 1.469 -0.949 1.872
150 HG LEU 17 HG LEU 17 0.208 -3.005 1.262
151 HD11 LEU 17 1HD1 LEU 17 1.196 -2.377 -1.516
152 HD12 LEU 17 2HD1 LEU 17 -0.485 -2.361 -0.980
153 HD13 LEU 17 3HD1 LEU 17 0.416 -3.877 -1.012
154 HD21 LEU 17 3HD2 LEU 17 2.182 -4.315 0.651
155 HD22 LEU 17 1HD2 LEU 17 2.560 -3.117 1.889
156 HD23 LEU 17 2HD2 LEU 17 3.031 -2.833 0.214
157 H THR 18 H THR 18 -0.104 0.811 3.084
158 HA THR 18 HA THR 18 -1.422 -1.038 4.712
159 HB THR 18 HB THR 18 -1.010 1.932 5.088
160 HG1 THR 18 1HG THR 18 0.812 1.280 6.240
161 HG21 THR 18 3HG2 THR 18 -1.772 -0.193 7.083
162 HG22 THR 18 1HG2 THR 18 -2.780 1.146 6.539
163 HG23 THR 18 2HG2 THR 18 -1.325 1.465 7.483
164 H ALA 19 H ALA 19 -2.611 2.240 3.995
165 HA ALA 19 HA ALA 19 -5.285 1.630 4.608
166 HB1 ALA 19 1HB ALA 19 -5.824 3.801 3.609
167 HB2 ALA 19 2HB ALA 19 -4.196 3.889 2.936
168 HB3 ALA 19 3HB ALA 19 -4.430 3.911 4.683
169 H GLY 20 H GLY 20 -3.393 1.009 1.865
170 HA2 GLY 20 2HA GLY 20 -5.427 0.999 -0.092
171 HA3 GLY 20 1HA GLY 20 -3.864 0.230 -0.241
172 H GLN 21 H GLN 21 -4.017 -1.477 1.936
173 HA GLN 21 HA GLN 21 -5.373 -3.680 0.822
174 HB2 GLN 21 2HB GLN 21 -3.378 -3.791 2.341
175 HB3 GLN 21 1HB GLN 21 -4.439 -3.382 3.681
176 HG2 GLN 21 2HG GLN 21 -4.023 -5.768 3.592
177 HG3 GLN 21 1HG GLN 21 -5.725 -5.413 3.300
178 HE21 GLN 21 1HE2 GLN 21 -3.233 -4.917 0.911
179 HE22 GLN 21 2HE2 GLN 21 -3.726 -6.183 -0.155
180 H LEU 22 H LEU 22 -6.160 -1.487 3.471
181 HA LEU 22 HA LEU 22 -8.524 -2.819 4.283
182 HB2 LEU 22 2HB LEU 22 -7.413 -0.067 4.717
183 HB3 LEU 22 1HB LEU 22 -9.036 -0.459 5.247
184 HG LEU 22 HG LEU 22 -7.462 -0.648 7.087
185 HD11 LEU 22 1HD1 LEU 22 -8.002 -2.900 7.826
186 HD12 LEU 22 2HD1 LEU 22 -8.440 -3.350 6.178
187 HD13 LEU 22 3HD1 LEU 22 -9.392 -2.145 7.046
188 HD21 LEU 22 3HD2 LEU 22 -6.083 -2.734 5.399
189 HD22 LEU 22 1HD2 LEU 22 -5.707 -2.355 7.081
190 HD23 LEU 22 2HD2 LEU 22 -5.443 -1.146 5.823
191 H SER 23 H SER 23 -7.921 -0.062 2.124
192 HA SER 23 HA SER 23 -10.647 0.356 1.542
193 HB2 SER 23 2HB SER 23 -9.054 2.171 1.298
194 HB3 SER 23 1HB SER 23 -8.209 1.258 0.055
195 HG SER 23 HG SER 23 -9.567 2.028 -1.332
196 H SER 24 H SER 24 -8.781 -2.144 0.802
197 HA SER 24 HA SER 24 -9.849 -2.586 -1.869
198 HB2 SER 24 2HB SER 24 -7.769 -4.044 -0.248
199 HB3 SER 24 1HB SER 24 -8.392 -4.672 -1.772
200 HG SER 24 HG SER 24 -6.401 -3.126 -1.589
201 H GLN 25 H GLN 25 -9.942 -3.895 1.387
202 HA GLN 25 HA GLN 25 -11.555 -6.138 0.817
203 HB2 GLN 25 2HB GLN 25 -11.086 -4.566 3.352
204 HB3 GLN 25 1HB GLN 25 -12.097 -6.005 3.299
205 HG2 GLN 25 2HG GLN 25 -9.177 -5.880 2.573
206 HG3 GLN 25 1HG GLN 25 -9.843 -6.504 4.081
207 HE21 GLN 25 1HE2 GLN 25 -8.223 -7.827 2.037
208 HE22 GLN 25 2HE2 GLN 25 -9.139 -9.200 1.520
209 H LEU 26 H LEU 26 -12.212 -2.777 1.145
210 HA LEU 26 HA LEU 26 -15.011 -3.063 1.651
211 HB2 LEU 26 2HB LEU 26 -13.619 -0.606 0.626
212 HB3 LEU 26 1HB LEU 26 -15.129 -0.694 1.515
213 HG LEU 26 HG LEU 26 -12.491 -1.509 2.698
214 HD11 LEU 26 1HD1 LEU 26 -13.881 1.162 2.865
215 HD12 LEU 26 2HD1 LEU 26 -12.347 0.832 2.062
216 HD13 LEU 26 3HD1 LEU 26 -12.475 0.679 3.814
217 HD21 LEU 26 3HD2 LEU 26 -14.463 -2.421 3.796
218 HD22 LEU 26 1HD2 LEU 26 -15.145 -0.801 3.940
219 HD23 LEU 26 2HD2 LEU 26 -13.675 -1.221 4.818
220 H ALA 27 H ALA 27 -12.923 -2.545 -1.104
221 HA ALA 27 HA ALA 27 -14.753 -1.820 -3.040
222 HB1 ALA 27 1HB ALA 27 -12.332 -1.806 -3.381
223 HB2 ALA 27 2HB ALA 27 -13.162 -2.677 -4.671
224 HB3 ALA 27 3HB ALA 27 -12.325 -3.569 -3.400
225 H GLU 28 H GLU 28 -14.467 -4.802 -1.406
226 HA GLU 28 HA GLU 28 -16.113 -6.118 -3.358
227 HB2 GLU 28 2HB GLU 28 -15.388 -8.203 -1.952
228 HB3 GLU 28 1HB GLU 28 -14.354 -7.543 -3.218
229 HG2 GLU 28 2HG GLU 28 -13.301 -6.141 -1.466
230 HG3 GLU 28 1HG GLU 28 -14.174 -7.093 -0.277
231 H LEU 29 H LEU 29 -15.696 -5.577 0.070
232 HA LEU 29 HA LEU 29 -18.520 -6.288 0.480
233 HB2 LEU 29 2HB LEU 29 -16.127 -6.804 2.230
234 HB3 LEU 29 1HB LEU 29 -17.750 -6.774 2.890
235 HG LEU 29 HG LEU 29 -17.138 -9.053 2.520
236 HD11 LEU 29 1HD1 LEU 29 -19.451 -8.486 2.015
237 HD12 LEU 29 2HD1 LEU 29 -18.877 -9.798 0.985
238 HD13 LEU 29 3HD1 LEU 29 -19.014 -8.163 0.338
239 HD21 LEU 29 3HD2 LEU 29 -15.365 -8.575 0.836
240 HD22 LEU 29 1HD2 LEU 29 -16.634 -8.394 -0.374
241 HD23 LEU 29 2HD2 LEU 29 -16.399 -9.944 0.429
242 H SER 30 H SER 30 -18.203 -3.821 -0.255
243 HA SER 30 HA SER 30 -17.361 -1.856 1.414
244 HB2 SER 30 2HB SER 30 -18.224 -1.411 -0.832
245 HB3 SER 30 1HB SER 30 -19.854 -1.819 -0.297
246 HG SER 30 HG SER 30 -18.253 0.369 0.529
247 H GLU 31 H GLU 31 -20.682 -3.137 1.325
248 HA GLU 31 HA GLU 31 -21.652 -1.749 3.533
249 HB2 GLU 31 2HB GLU 31 -22.481 -4.447 2.455
250 HB3 GLU 31 1HB GLU 31 -23.409 -3.508 3.613
251 HG2 GLU 31 2HG GLU 31 -22.781 -2.776 0.773
252 HG3 GLU 31 1HG GLU 31 -24.348 -3.205 1.457
253 H GLU 32 H GLU 32 -21.363 -1.944 5.655
254 HA GLU 32 HA GLU 32 -20.096 -4.404 6.667
255 HB2 GLU 32 2HB GLU 32 -19.064 -2.964 8.427
256 HB3 GLU 32 1HB GLU 32 -18.497 -2.617 6.799
257 HG2 GLU 32 2HG GLU 32 -19.928 -0.673 6.680
258 HG3 GLU 32 1HG GLU 32 -20.603 -1.043 8.265
259 H ALA 33 H ALA 33 -22.922 -3.879 6.429
260 HA ALA 33 HA ALA 33 -23.865 -3.283 9.105
261 HB1 ALA 33 1HB ALA 33 -25.137 -2.503 7.166
262 HB2 ALA 33 2HB ALA 33 -26.096 -3.589 8.170
263 HB3 ALA 33 3HB ALA 33 -25.393 -4.173 6.661
264 H LEU 34 H LEU 34 -25.457 -4.796 10.129
265 HA LEU 34 HA LEU 34 -24.314 -7.480 10.151
266 HB2 LEU 34 2HB LEU 34 -26.163 -6.022 12.029
267 HB3 LEU 34 1HB LEU 34 -25.806 -7.730 12.197
268 HG LEU 34 HG LEU 34 -23.362 -7.089 12.366
269 HD11 LEU 34 1HD1 LEU 34 -23.451 -4.883 11.401
270 HD12 LEU 34 2HD1 LEU 34 -22.900 -4.772 13.072
271 HD13 LEU 34 3HD1 LEU 34 -24.560 -4.340 12.660
272 HD21 LEU 34 3HD2 LEU 34 -25.259 -6.071 14.478
273 HD22 LEU 34 1HD2 LEU 34 -23.548 -6.431 14.718
274 HD23 LEU 34 2HD2 LEU 34 -24.673 -7.726 14.309
Start of MODEL 10
1 H1 MET 1 1HT MET 1 11.057 27.218 8.620
2 H2 MET 1 2HT MET 1 9.497 26.601 8.839
3 H3 MET 1 3HT MET 1 9.733 28.268 8.680
4 HA MET 1 HA MET 1 8.847 27.303 6.654
5 HB2 MET 1 2HB MET 1 10.530 28.237 5.116
6 HB3 MET 1 1HB MET 1 10.238 29.292 6.491
7 HG2 MET 1 2HG MET 1 12.282 28.424 7.556
8 HG3 MET 1 1HG MET 1 12.585 27.444 6.123
9 HE1 MET 1 2HE MET 1 11.618 29.428 3.807
10 HE2 MET 1 3HE MET 1 13.097 28.470 3.716
11 HE3 MET 1 1HE MET 1 13.146 30.203 3.385
12 H ASN 2 H ASN 2 10.219 25.097 8.227
13 HA ASN 2 HA ASN 2 10.597 23.338 5.964
14 HB2 ASN 2 2HB ASN 2 12.791 22.550 6.583
15 HB3 ASN 2 1HB ASN 2 12.866 24.296 6.373
16 HD21 ASN 2 1HD2 ASN 2 11.566 24.847 8.924
17 HD22 ASN 2 2HD2 ASN 2 12.743 24.515 10.142
18 H LYS 3 H LYS 3 10.141 21.218 6.426
19 HA LYS 3 HA LYS 3 9.650 20.505 9.229
20 HB2 LYS 3 2HB LYS 3 7.713 19.978 6.967
21 HB3 LYS 3 1HB LYS 3 7.517 19.460 8.635
22 HG2 LYS 3 2HG LYS 3 7.398 21.785 9.355
23 HG3 LYS 3 1HG LYS 3 7.617 22.316 7.688
24 HD2 LYS 3 2HD LYS 3 5.286 22.426 8.158
25 HD3 LYS 3 1HD LYS 3 5.538 21.029 7.110
26 HE2 LYS 3 2HE LYS 3 5.463 19.551 9.044
27 HE3 LYS 3 1HE LYS 3 5.261 20.938 10.112
28 HZ1 LYS 3 3HZ LYS 3 3.356 20.104 7.991
29 HZ2 LYS 3 1HZ LYS 3 3.160 21.424 9.031
30 HZ3 LYS 3 2HZ LYS 3 3.152 19.850 9.650
31 H LYS 4 H LYS 4 9.373 19.094 5.962
32 HA LYS 4 HA LYS 4 10.085 17.117 5.091
33 HB2 LYS 4 2HB LYS 4 12.305 17.379 7.126
34 HB3 LYS 4 1HB LYS 4 12.337 16.398 5.668
35 HG2 LYS 4 2HG LYS 4 12.134 19.402 5.729
36 HG3 LYS 4 1HG LYS 4 13.613 18.483 5.441
37 HD2 LYS 4 2HD LYS 4 12.602 17.487 3.445
38 HD3 LYS 4 1HD LYS 4 11.123 18.406 3.735
39 HE2 LYS 4 2HE LYS 4 13.854 19.553 3.165
40 HE3 LYS 4 1HE LYS 4 12.498 19.485 2.039
41 HZ1 LYS 4 3HZ LYS 4 11.249 20.938 3.502
42 HZ2 LYS 4 1HZ LYS 4 12.711 21.667 3.064
43 HZ3 LYS 4 2HZ LYS 4 12.532 20.988 4.602
44 H ASN 5 H ASN 5 8.129 16.204 6.123
45 HA ASN 5 HA ASN 5 8.759 14.383 8.344
46 HB2 ASN 5 2HB ASN 5 6.887 15.915 8.763
47 HB3 ASN 5 1HB ASN 5 6.071 15.323 7.319
48 HD21 ASN 5 1HD2 ASN 5 7.866 13.281 9.515
49 HD22 ASN 5 2HD2 ASN 5 6.503 12.421 10.135
50 H ILE 6 H ILE 6 6.749 14.431 5.392
51 HA ILE 6 HA ILE 6 6.488 11.629 5.219
52 HB ILE 6 HB ILE 6 6.267 13.678 3.009
53 HG12 ILE 6 2HG1 ILE 6 4.743 14.147 4.874
54 HG13 ILE 6 1HG1 ILE 6 3.853 13.603 3.457
55 HG21 ILE 6 1HG2 ILE 6 4.851 11.977 1.907
56 HG22 ILE 6 2HG2 ILE 6 5.290 10.833 3.174
57 HG23 ILE 6 3HG2 ILE 6 6.529 11.468 2.092
58 HD11 ILE 6 3HD1 ILE 6 4.542 11.922 5.856
59 HD12 ILE 6 1HD1 ILE 6 3.640 11.382 4.439
60 HD13 ILE 6 2HD1 ILE 6 2.966 12.625 5.493
61 H LEU 7 H LEU 7 7.774 10.094 4.396
62 HA LEU 7 HA LEU 7 10.416 10.833 3.479
63 HB2 LEU 7 2HB LEU 7 9.082 8.369 4.416
64 HB3 LEU 7 1HB LEU 7 10.358 8.140 3.236
65 HG LEU 7 HG LEU 7 10.999 9.886 5.540
66 HD11 LEU 7 1HD1 LEU 7 10.736 6.893 5.799
67 HD12 LEU 7 2HD1 LEU 7 9.750 8.097 6.629
68 HD13 LEU 7 3HD1 LEU 7 11.472 7.969 6.987
69 HD21 LEU 7 3HD2 LEU 7 13.133 8.615 5.365
70 HD22 LEU 7 1HD2 LEU 7 12.687 9.476 3.892
71 HD23 LEU 7 2HD2 LEU 7 12.441 7.734 4.002
72 HA PRO 8 HA PRO 8 9.960 10.512 -0.902
73 HB2 PRO 8 2HB PRO 8 12.246 8.612 -0.775
74 HB3 PRO 8 1HB PRO 8 12.044 10.055 -1.775
75 HG2 PRO 8 2HG PRO 8 13.627 10.141 0.308
76 HG3 PRO 8 1HG PRO 8 12.509 11.485 0.016
77 HD2 PRO 8 2HD PRO 8 12.273 9.218 1.966
78 HD3 PRO 8 1HD PRO 8 11.929 10.939 2.187
79 H GLN 9 H GLN 9 10.918 8.201 -2.379
80 HA GLN 9 HA GLN 9 8.552 6.672 -2.391
81 HB2 GLN 9 2HB GLN 9 11.186 6.135 -3.754
82 HB3 GLN 9 1HB GLN 9 9.666 5.349 -4.133
83 HG2 GLN 9 2HG GLN 9 8.720 7.487 -4.828
84 HG3 GLN 9 1HG GLN 9 10.246 8.282 -4.442
85 HE21 GLN 9 1HE2 GLN 9 8.584 6.169 -6.638
86 HE22 GLN 9 2HE2 GLN 9 9.773 6.199 -7.891
87 H GLN 10 H GLN 10 10.850 6.648 -0.240
88 HA GLN 10 HA GLN 10 11.439 3.875 0.084
89 HB2 GLN 10 2HB GLN 10 11.703 6.164 2.040
90 HB3 GLN 10 1HB GLN 10 12.371 4.554 2.270
91 HG2 GLN 10 2HG GLN 10 13.810 4.845 0.343
92 HG3 GLN 10 1HG GLN 10 13.106 6.432 0.035
93 HE21 GLN 10 1HE2 GLN 10 15.198 4.567 2.090
94 HE22 GLN 10 2HE2 GLN 10 15.942 5.905 2.889
95 H GLY 11 H GLY 11 9.232 6.139 1.708
96 HA2 GLY 11 2HA GLY 11 7.848 3.802 2.872
97 HA3 GLY 11 1HA GLY 11 7.948 5.366 3.658
98 H GLN 12 H GLN 12 7.560 5.800 0.406
99 HA GLN 12 HA GLN 12 5.073 6.987 0.598
100 HB2 GLN 12 2HB GLN 12 7.026 6.437 -1.447
101 HB3 GLN 12 1HB GLN 12 5.394 6.320 -2.065
102 HG2 GLN 12 2HG GLN 12 6.561 8.679 -0.618
103 HG3 GLN 12 1HG GLN 12 6.317 8.555 -2.360
104 HE21 GLN 12 1HE2 GLN 12 3.773 7.166 -2.084
105 HE22 GLN 12 2HE2 GLN 12 2.624 8.356 -1.587
106 HA PRO 13 HA PRO 13 3.168 3.047 -1.297
107 HB2 PRO 13 2HB PRO 13 5.054 0.880 -1.229
108 HB3 PRO 13 1HB PRO 13 4.381 1.690 -2.642
109 HG2 PRO 13 2HG PRO 13 7.023 1.843 -1.891
110 HG3 PRO 13 1HG PRO 13 6.194 3.063 -2.874
111 HD2 PRO 13 2HD PRO 13 6.783 3.079 0.065
112 HD3 PRO 13 1HD PRO 13 6.888 4.418 -1.101
113 H VAL 14 H VAL 14 5.083 3.036 1.503
114 HA VAL 14 HA VAL 14 3.962 0.705 2.734
115 HB VAL 14 HB VAL 14 5.289 3.087 4.055
116 HG11 VAL 14 1HG1 VAL 14 5.731 1.525 5.896
117 HG12 VAL 14 2HG1 VAL 14 4.807 0.282 5.053
118 HG13 VAL 14 3HG1 VAL 14 4.004 1.747 5.621
119 HG21 VAL 14 3HG2 VAL 14 7.328 1.717 4.042
120 HG22 VAL 14 1HG2 VAL 14 6.768 2.081 2.409
121 HG23 VAL 14 2HG2 VAL 14 6.483 0.485 3.102
122 H ILE 15 H ILE 15 3.056 3.992 2.289
123 HA ILE 15 HA ILE 15 0.930 3.864 4.282
124 HB ILE 15 HB ILE 15 1.573 6.148 2.424
125 HG12 ILE 15 2HG1 ILE 15 3.556 5.425 3.782
126 HG13 ILE 15 1HG1 ILE 15 3.022 7.067 4.095
127 HG21 ILE 15 1HG2 ILE 15 -0.599 6.291 3.474
128 HG22 ILE 15 2HG2 ILE 15 0.480 7.492 4.183
129 HG23 ILE 15 3HG2 ILE 15 0.115 6.006 5.060
130 HD11 ILE 15 3HD1 ILE 15 2.403 4.674 5.810
131 HD12 ILE 15 1HD1 ILE 15 1.935 6.342 6.142
132 HD13 ILE 15 2HD1 ILE 15 3.639 5.887 6.141
133 H ARG 16 H ARG 16 1.527 3.561 0.944
134 HA ARG 16 HA ARG 16 -1.192 3.951 0.078
135 HB2 ARG 16 2HB ARG 16 -0.277 4.193 -1.925
136 HB3 ARG 16 1HB ARG 16 1.288 4.018 -1.144
137 HG2 ARG 16 2HG ARG 16 1.269 1.653 -1.558
138 HG3 ARG 16 1HG ARG 16 -0.342 1.759 -2.265
139 HD2 ARG 16 2HD ARG 16 0.523 3.267 -3.976
140 HD3 ARG 16 1HD ARG 16 2.145 3.100 -3.307
141 HE ARG 16 HE ARG 16 1.715 0.596 -3.811
142 HH11 ARG 16 1HH1 ARG 16 0.651 3.296 -5.741
143 HH12 ARG 16 2HH1 ARG 16 0.687 2.412 -7.229
144 HH21 ARG 16 1HH2 ARG 16 1.764 -0.576 -5.768
145 HH22 ARG 16 2HH2 ARG 16 1.319 0.213 -7.246
146 H LEU 17 H LEU 17 0.895 1.380 0.994
147 HA LEU 17 HA LEU 17 -0.782 -0.750 0.032
148 HB2 LEU 17 2HB LEU 17 1.716 -0.872 0.354
149 HB3 LEU 17 1HB LEU 17 1.430 -0.883 2.079
150 HG LEU 17 HG LEU 17 0.090 -2.981 1.771
151 HD11 LEU 17 1HD1 LEU 17 1.265 -2.861 -1.003
152 HD12 LEU 17 2HD1 LEU 17 -0.444 -2.735 -0.587
153 HD13 LEU 17 3HD1 LEU 17 0.422 -4.244 -0.301
154 HD21 LEU 17 3HD2 LEU 17 2.064 -4.415 1.520
155 HD22 LEU 17 1HD2 LEU 17 2.383 -3.035 2.572
156 HD23 LEU 17 2HD2 LEU 17 2.981 -3.034 0.913
157 H THR 18 H THR 18 -0.066 0.709 3.167
158 HA THR 18 HA THR 18 -1.536 -0.913 4.834
159 HB THR 18 HB THR 18 -1.112 2.072 4.993
160 HG1 THR 18 1HG THR 18 0.449 -0.144 5.532
161 HG21 THR 18 3HG2 THR 18 -1.941 0.123 7.136
162 HG22 THR 18 1HG2 THR 18 -2.949 1.385 6.431
163 HG23 THR 18 2HG2 THR 18 -1.535 1.821 7.390
164 H ALA 19 H ALA 19 -2.680 2.301 3.824
165 HA ALA 19 HA ALA 19 -5.384 1.693 4.373
166 HB1 ALA 19 1HB ALA 19 -4.515 3.970 4.500
167 HB2 ALA 19 2HB ALA 19 -5.880 3.870 3.387
168 HB3 ALA 19 3HB ALA 19 -4.235 3.962 2.758
169 H GLY 20 H GLY 20 -3.393 0.980 1.745
170 HA2 GLY 20 2HA GLY 20 -5.424 0.994 -0.262
171 HA3 GLY 20 1HA GLY 20 -3.805 0.359 -0.444
172 H GLN 21 H GLN 21 -4.125 -1.316 1.954
173 HA GLN 21 HA GLN 21 -5.274 -3.606 0.648
174 HB2 GLN 21 2HB GLN 21 -3.227 -3.744 2.042
175 HB3 GLN 21 1HB GLN 21 -4.186 -3.340 3.457
176 HG2 GLN 21 2HG GLN 21 -5.428 -5.374 3.280
177 HG3 GLN 21 1HG GLN 21 -4.672 -5.756 1.735
178 HE21 GLN 21 1HE2 GLN 21 -2.903 -4.382 4.404
179 HE22 GLN 21 2HE2 GLN 21 -1.966 -5.787 4.765
180 H LEU 22 H LEU 22 -6.031 -1.663 3.512
181 HA LEU 22 HA LEU 22 -8.316 -3.148 4.277
182 HB2 LEU 22 2HB LEU 22 -7.553 -0.290 4.879
183 HB3 LEU 22 1HB LEU 22 -8.824 -1.184 5.686
184 HG LEU 22 HG LEU 22 -5.900 -1.924 5.750
185 HD11 LEU 22 1HD1 LEU 22 -7.617 -0.601 7.844
186 HD12 LEU 22 2HD1 LEU 22 -6.314 0.164 6.933
187 HD13 LEU 22 3HD1 LEU 22 -5.953 -1.142 8.062
188 HD21 LEU 22 3HD2 LEU 22 -7.363 -3.849 6.003
189 HD22 LEU 22 1HD2 LEU 22 -8.270 -3.014 7.264
190 HD23 LEU 22 2HD2 LEU 22 -6.586 -3.458 7.537
191 H SER 23 H SER 23 -7.947 -0.103 2.457
192 HA SER 23 HA SER 23 -10.704 0.249 2.044
193 HB2 SER 23 2HB SER 23 -9.176 2.132 1.890
194 HB3 SER 23 1HB SER 23 -8.395 1.380 0.506
195 HG SER 23 HG SER 23 -10.262 1.662 -0.684
196 H SER 24 H SER 24 -8.783 -2.069 0.920
197 HA SER 24 HA SER 24 -9.974 -2.298 -1.719
198 HB2 SER 24 2HB SER 24 -7.568 -2.801 -1.438
199 HB3 SER 24 1HB SER 24 -7.988 -4.106 -0.336
200 HG SER 24 HG SER 24 -8.426 -5.326 -1.983
201 H GLN 25 H GLN 25 -9.895 -3.927 1.381
202 HA GLN 25 HA GLN 25 -11.476 -6.146 0.756
203 HB2 GLN 25 2HB GLN 25 -11.050 -4.644 3.340
204 HB3 GLN 25 1HB GLN 25 -11.998 -6.124 3.245
205 HG2 GLN 25 2HG GLN 25 -10.091 -7.377 2.537
206 HG3 GLN 25 1HG GLN 25 -9.126 -5.909 2.379
207 HE21 GLN 25 1HE2 GLN 25 -10.554 -8.183 4.584
208 HE22 GLN 25 2HE2 GLN 25 -9.678 -7.684 5.987
209 H LEU 26 H LEU 26 -12.304 -2.827 1.357
210 HA LEU 26 HA LEU 26 -15.088 -3.337 1.778
211 HB2 LEU 26 2HB LEU 26 -13.830 -0.696 1.096
212 HB3 LEU 26 1HB LEU 26 -15.344 -0.979 1.938
213 HG LEU 26 HG LEU 26 -12.678 -1.795 3.060
214 HD11 LEU 26 1HD1 LEU 26 -12.789 0.226 4.442
215 HD12 LEU 26 2HD1 LEU 26 -14.216 0.753 3.550
216 HD13 LEU 26 3HD1 LEU 26 -12.662 0.615 2.727
217 HD21 LEU 26 3HD2 LEU 26 -13.932 -1.799 5.184
218 HD22 LEU 26 1HD2 LEU 26 -14.569 -2.957 4.015
219 HD23 LEU 26 2HD2 LEU 26 -15.407 -1.429 4.287
220 H ALA 27 H ALA 27 -13.015 -2.329 -0.857
221 HA ALA 27 HA ALA 27 -14.853 -1.471 -2.715
222 HB1 ALA 27 1HB ALA 27 -12.361 -3.078 -3.254
223 HB2 ALA 27 2HB ALA 27 -12.436 -1.329 -3.035
224 HB3 ALA 27 3HB ALA 27 -13.225 -2.079 -4.423
225 H GLU 28 H GLU 28 -14.396 -4.638 -1.493
226 HA GLU 28 HA GLU 28 -16.005 -5.764 -3.585
227 HB2 GLU 28 2HB GLU 28 -15.225 -7.968 -2.390
228 HB3 GLU 28 1HB GLU 28 -14.213 -7.151 -3.579
229 HG2 GLU 28 2HG GLU 28 -13.188 -5.910 -1.704
230 HG3 GLU 28 1HG GLU 28 -14.049 -6.974 -0.606
231 H LEU 29 H LEU 29 -15.610 -5.730 -0.092
232 HA LEU 29 HA LEU 29 -18.477 -6.295 0.182
233 HB2 LEU 29 2HB LEU 29 -16.199 -7.531 1.715
234 HB3 LEU 29 1HB LEU 29 -17.829 -7.497 2.350
235 HG LEU 29 HG LEU 29 -17.532 -9.642 1.416
236 HD11 LEU 29 1HD1 LEU 29 -19.164 -9.741 -0.377
237 HD12 LEU 29 2HD1 LEU 29 -19.005 -8.005 -0.639
238 HD13 LEU 29 3HD1 LEU 29 -19.680 -8.608 0.873
239 HD21 LEU 29 3HD2 LEU 29 -15.526 -8.961 0.050
240 HD22 LEU 29 1HD2 LEU 29 -16.660 -8.445 -1.198
241 HD23 LEU 29 2HD2 LEU 29 -16.609 -10.135 -0.698
242 H SER 30 H SER 30 -18.254 -3.848 0.200
243 HA SER 30 HA SER 30 -17.045 -2.381 2.146
244 HB2 SER 30 2HB SER 30 -18.213 -1.345 0.277
245 HB3 SER 30 1HB SER 30 -19.763 -1.894 0.914
246 HG SER 30 HG SER 30 -19.727 -0.348 2.369
247 H GLU 31 H GLU 31 -20.240 -3.910 2.311
248 HA GLU 31 HA GLU 31 -20.963 -3.008 4.852
249 HB2 GLU 31 2HB GLU 31 -21.715 -5.585 3.462
250 HB3 GLU 31 1HB GLU 31 -22.520 -4.931 4.881
251 HG2 GLU 31 2HG GLU 31 -23.323 -3.067 3.684
252 HG3 GLU 31 1HG GLU 31 -22.327 -3.453 2.281
253 H GLU 32 H GLU 32 -20.451 -3.611 6.873
254 HA GLU 32 HA GLU 32 -19.025 -6.125 7.305
255 HB2 GLU 32 2HB GLU 32 -17.345 -4.967 8.728
256 HB3 GLU 32 1HB GLU 32 -17.229 -4.549 7.024
257 HG2 GLU 32 2HG GLU 32 -18.439 -2.464 7.468
258 HG3 GLU 32 1HG GLU 32 -18.505 -2.883 9.179
259 H ALA 33 H ALA 33 -20.436 -3.237 8.816
260 HA ALA 33 HA ALA 33 -21.587 -2.934 10.758
261 HB1 ALA 33 1HB ALA 33 -22.488 -5.759 10.206
262 HB2 ALA 33 2HB ALA 33 -23.205 -4.297 9.529
263 HB3 ALA 33 3HB ALA 33 -23.290 -4.599 11.264
264 H LEU 34 H LEU 34 -19.709 -2.781 12.069
265 HA LEU 34 HA LEU 34 -18.486 -5.030 13.285
266 HB2 LEU 34 2HB LEU 34 -18.492 -2.129 14.116
267 HB3 LEU 34 1HB LEU 34 -17.445 -3.362 14.793
268 HG LEU 34 HG LEU 34 -17.437 -2.536 11.889
269 HD11 LEU 34 1HD1 LEU 34 -16.704 -0.697 13.303
270 HD12 LEU 34 2HD1 LEU 34 -15.344 -1.387 12.415
271 HD13 LEU 34 3HD1 LEU 34 -15.567 -1.766 14.124
272 HD21 LEU 34 3HD2 LEU 34 -15.335 -3.778 11.804
273 HD22 LEU 34 1HD2 LEU 34 -16.674 -4.823 12.277
274 HD23 LEU 34 2HD2 LEU 34 -15.536 -4.244 13.492
Start of MODEL 11
1 H1 MET 1 1HT MET 1 12.462 24.263 16.001
2 H2 MET 1 2HT MET 1 10.783 24.115 16.141
3 H3 MET 1 3HT MET 1 11.463 24.737 14.722
4 HA MET 1 HA MET 1 12.557 22.600 14.322
5 HB2 MET 1 2HB MET 1 10.917 21.815 16.736
6 HB3 MET 1 1HB MET 1 11.602 20.648 15.615
7 HG2 MET 1 2HG MET 1 13.066 20.779 17.461
8 HG3 MET 1 1HG MET 1 13.854 21.611 16.121
9 HE1 MET 1 2HE MET 1 11.835 23.751 19.679
10 HE2 MET 1 3HE MET 1 11.941 21.998 19.514
11 HE3 MET 1 1HE MET 1 10.916 22.927 18.419
12 H ASN 2 H ASN 2 11.589 21.282 12.803
13 HA ASN 2 HA ASN 2 8.703 21.713 12.390
14 HB2 ASN 2 2HB ASN 2 10.028 22.917 10.714
15 HB3 ASN 2 1HB ASN 2 10.858 21.424 10.286
16 HD21 ASN 2 1HD2 ASN 2 7.457 21.558 11.054
17 HD22 ASN 2 2HD2 ASN 2 6.884 21.233 9.458
18 H LYS 3 H LYS 3 7.498 19.937 12.380
19 HA LYS 3 HA LYS 3 8.799 17.360 11.789
20 HB2 LYS 3 2HB LYS 3 6.660 17.922 13.853
21 HB3 LYS 3 1HB LYS 3 7.253 16.322 13.430
22 HG2 LYS 3 2HG LYS 3 9.467 16.902 14.231
23 HG3 LYS 3 1HG LYS 3 8.922 18.541 14.596
24 HD2 LYS 3 2HD LYS 3 7.341 17.663 16.230
25 HD3 LYS 3 1HD LYS 3 7.840 16.015 15.846
26 HE2 LYS 3 2HE LYS 3 8.910 16.806 17.892
27 HE3 LYS 3 1HE LYS 3 10.099 16.513 16.624
28 HZ1 LYS 3 3HZ LYS 3 8.994 19.175 17.342
29 HZ2 LYS 3 1HZ LYS 3 10.188 18.871 16.180
30 HZ3 LYS 3 2HZ LYS 3 10.508 18.590 17.817
31 H LYS 4 H LYS 4 7.955 18.171 9.602
32 HA LYS 4 HA LYS 4 5.275 17.031 9.209
33 HB2 LYS 4 2HB LYS 4 6.342 19.568 7.958
34 HB3 LYS 4 1HB LYS 4 4.857 18.765 7.465
35 HG2 LYS 4 2HG LYS 4 5.362 19.786 10.250
36 HG3 LYS 4 1HG LYS 4 4.542 20.711 8.991
37 HD2 LYS 4 2HD LYS 4 2.795 19.056 8.848
38 HD3 LYS 4 1HD LYS 4 3.650 18.003 9.977
39 HE2 LYS 4 2HE LYS 4 2.619 20.760 10.635
40 HE3 LYS 4 1HE LYS 4 1.779 19.256 11.016
41 HZ1 LYS 4 3HZ LYS 4 4.473 20.017 12.011
42 HZ2 LYS 4 1HZ LYS 4 3.637 18.598 12.398
43 HZ3 LYS 4 2HZ LYS 4 3.039 20.097 12.906
44 H ASN 5 H ASN 5 7.373 15.440 8.885
45 HA ASN 5 HA ASN 5 7.285 14.820 6.086
46 HB2 ASN 5 2HB ASN 5 9.091 16.478 6.075
47 HB3 ASN 5 1HB ASN 5 9.944 15.575 7.322
48 HD21 ASN 5 1HD2 ASN 5 11.751 15.282 6.038
49 HD22 ASN 5 2HD2 ASN 5 11.764 14.197 4.694
50 H ILE 6 H ILE 6 6.267 13.005 7.176
51 HA ILE 6 HA ILE 6 7.791 11.298 8.888
52 HB ILE 6 HB ILE 6 5.245 10.719 7.367
53 HG12 ILE 6 2HG1 ILE 6 5.630 11.518 10.261
54 HG13 ILE 6 1HG1 ILE 6 5.117 12.618 8.986
55 HG21 ILE 6 1HG2 ILE 6 6.379 8.674 8.004
56 HG22 ILE 6 2HG2 ILE 6 4.945 8.905 9.003
57 HG23 ILE 6 3HG2 ILE 6 6.542 9.254 9.662
58 HD11 ILE 6 3HD1 ILE 6 3.243 11.819 10.332
59 HD12 ILE 6 1HD1 ILE 6 3.625 10.160 9.874
60 HD13 ILE 6 2HD1 ILE 6 3.101 11.315 8.649
61 H LEU 7 H LEU 7 9.666 10.669 7.880
62 HA LEU 7 HA LEU 7 11.043 9.406 6.595
63 HB2 LEU 7 2HB LEU 7 8.435 7.980 6.313
64 HB3 LEU 7 1HB LEU 7 9.798 7.470 5.337
65 HG LEU 7 HG LEU 7 11.103 7.113 7.427
66 HD11 LEU 7 1HD1 LEU 7 9.915 7.034 9.559
67 HD12 LEU 7 2HD1 LEU 7 8.461 7.651 8.775
68 HD13 LEU 7 3HD1 LEU 7 9.904 8.660 8.877
69 HD21 LEU 7 3HD2 LEU 7 8.497 5.606 7.245
70 HD22 LEU 7 1HD2 LEU 7 9.954 5.059 8.075
71 HD23 LEU 7 2HD2 LEU 7 9.961 5.261 6.324
72 HA PRO 8 HA PRO 8 10.850 11.018 2.490
73 HB2 PRO 8 2HB PRO 8 12.696 9.598 1.219
74 HB3 PRO 8 1HB PRO 8 13.118 10.695 2.538
75 HG2 PRO 8 2HG PRO 8 12.846 7.738 2.548
76 HG3 PRO 8 1HG PRO 8 14.021 8.764 3.376
77 HD2 PRO 8 2HD PRO 8 11.759 7.654 4.534
78 HD3 PRO 8 1HD PRO 8 12.668 9.033 5.182
79 H GLN 9 H GLN 9 11.549 9.381 0.180
80 HA GLN 9 HA GLN 9 8.944 8.525 -0.521
81 HB2 GLN 9 2HB GLN 9 11.590 8.323 -1.935
82 HB3 GLN 9 1HB GLN 9 10.091 7.750 -2.639
83 HG2 GLN 9 2HG GLN 9 9.172 10.043 -2.428
84 HG3 GLN 9 1HG GLN 9 10.757 10.577 -1.869
85 HE21 GLN 9 1HE2 GLN 9 12.474 10.648 -3.322
86 HE22 GLN 9 2HE2 GLN 9 12.232 10.601 -5.031
87 H GLN 10 H GLN 10 11.021 7.153 1.398
88 HA GLN 10 HA GLN 10 10.991 4.435 0.478
89 HB2 GLN 10 2HB GLN 10 11.787 5.629 3.135
90 HB3 GLN 10 1HB GLN 10 11.986 3.935 2.709
91 HG2 GLN 10 2HG GLN 10 13.466 4.592 0.863
92 HG3 GLN 10 1HG GLN 10 13.294 6.278 1.346
93 HE21 GLN 10 1HE2 GLN 10 13.279 5.617 4.193
94 HE22 GLN 10 2HE2 GLN 10 14.915 5.244 4.604
95 H GLY 11 H GLY 11 9.218 6.381 2.811
96 HA2 GLY 11 2HA GLY 11 7.612 4.082 3.624
97 HA3 GLY 11 1HA GLY 11 7.555 5.691 4.322
98 H GLN 12 H GLN 12 7.571 5.979 1.045
99 HA GLN 12 HA GLN 12 5.028 7.038 0.853
100 HB2 GLN 12 2HB GLN 12 7.261 6.507 -0.892
101 HB3 GLN 12 1HB GLN 12 5.731 6.285 -1.713
102 HG2 GLN 12 2HG GLN 12 6.617 8.756 -0.254
103 HG3 GLN 12 1HG GLN 12 6.559 8.545 -2.003
104 HE21 GLN 12 1HE2 GLN 12 4.566 8.512 -3.046
105 HE22 GLN 12 2HE2 GLN 12 3.125 9.097 -2.293
106 HA PRO 13 HA PRO 13 3.586 2.929 -1.118
107 HB2 PRO 13 2HB PRO 13 5.551 0.878 -0.593
108 HB3 PRO 13 1HB PRO 13 5.025 1.517 -2.152
109 HG2 PRO 13 2HG PRO 13 7.532 1.912 -1.123
110 HG3 PRO 13 1HG PRO 13 6.747 3.027 -2.257
111 HD2 PRO 13 2HD PRO 13 6.970 3.212 0.730
112 HD3 PRO 13 1HD PRO 13 7.166 4.499 -0.484
113 H VAL 14 H VAL 14 5.019 3.193 1.937
114 HA VAL 14 HA VAL 14 3.803 0.890 3.136
115 HB VAL 14 HB VAL 14 4.846 3.397 4.480
116 HG11 VAL 14 1HG1 VAL 14 4.293 0.641 5.574
117 HG12 VAL 14 2HG1 VAL 14 3.378 2.108 5.921
118 HG13 VAL 14 3HG1 VAL 14 5.050 1.963 6.464
119 HG21 VAL 14 3HG2 VAL 14 6.575 2.331 3.131
120 HG22 VAL 14 1HG2 VAL 14 6.247 0.786 3.913
121 HG23 VAL 14 2HG2 VAL 14 6.905 2.127 4.851
122 H ILE 15 H ILE 15 2.869 4.099 2.333
123 HA ILE 15 HA ILE 15 0.489 4.028 4.017
124 HB ILE 15 HB ILE 15 1.268 6.185 2.063
125 HG12 ILE 15 2HG1 ILE 15 3.137 5.702 3.641
126 HG13 ILE 15 1HG1 ILE 15 2.467 7.314 3.821
127 HG21 ILE 15 1HG2 ILE 15 -1.009 6.293 2.885
128 HG22 ILE 15 2HG2 ILE 15 -0.057 7.614 3.561
129 HG23 ILE 15 3HG2 ILE 15 -0.438 6.205 4.551
130 HD11 ILE 15 3HD1 ILE 15 1.248 6.610 5.794
131 HD12 ILE 15 1HD1 ILE 15 2.968 6.266 5.970
132 HD13 ILE 15 2HD1 ILE 15 1.842 4.962 5.590
133 H ARG 16 H ARG 16 1.537 3.519 0.808
134 HA ARG 16 HA ARG 16 -1.053 3.714 -0.426
135 HB2 ARG 16 2HB ARG 16 0.073 3.760 -2.342
136 HB3 ARG 16 1HB ARG 16 1.511 3.887 -1.337
137 HG2 ARG 16 2HG ARG 16 1.843 1.525 -1.432
138 HG3 ARG 16 1HG ARG 16 0.343 1.308 -2.330
139 HD2 ARG 16 2HD ARG 16 1.236 2.711 -4.121
140 HD3 ARG 16 1HD ARG 16 2.762 2.848 -3.251
141 HE ARG 16 HE ARG 16 2.541 0.204 -3.469
142 HH11 ARG 16 1HH1 ARG 16 2.064 2.719 -5.835
143 HH12 ARG 16 2HH1 ARG 16 2.550 1.730 -7.172
144 HH21 ARG 16 1HH2 ARG 16 3.188 -1.102 -5.222
145 HH22 ARG 16 2HH2 ARG 16 3.188 -0.441 -6.824
146 H LEU 17 H LEU 17 1.020 1.303 0.890
147 HA LEU 17 HA LEU 17 -0.452 -0.963 -0.071
148 HB2 LEU 17 2HB LEU 17 1.979 -0.958 0.589
149 HB3 LEU 17 1HB LEU 17 1.464 -0.827 2.256
150 HG LEU 17 HG LEU 17 0.282 -2.998 2.033
151 HD11 LEU 17 1HD1 LEU 17 0.786 -4.420 0.104
152 HD12 LEU 17 2HD1 LEU 17 1.629 -3.076 -0.664
153 HD13 LEU 17 3HD1 LEU 17 -0.106 -2.973 -0.368
154 HD21 LEU 17 3HD2 LEU 17 2.562 -2.844 2.940
155 HD22 LEU 17 1HD2 LEU 17 3.211 -3.088 1.319
156 HD23 LEU 17 2HD2 LEU 17 2.280 -4.368 2.099
157 H THR 18 H THR 18 -0.202 0.728 3.029
158 HA THR 18 HA THR 18 -1.874 -0.831 4.571
159 HB THR 18 HB THR 18 -1.522 2.169 4.624
160 HG1 THR 18 1HG THR 18 -0.269 0.879 6.601
161 HG21 THR 18 3HG2 THR 18 -2.573 0.293 6.735
162 HG22 THR 18 1HG2 THR 18 -3.503 1.509 5.862
163 HG23 THR 18 2HG2 THR 18 -2.224 2.005 6.969
164 H ALA 19 H ALA 19 -2.876 2.302 3.212
165 HA ALA 19 HA ALA 19 -5.629 1.716 3.432
166 HB1 ALA 19 1HB ALA 19 -5.983 3.801 2.225
167 HB2 ALA 19 2HB ALA 19 -4.275 3.850 1.788
168 HB3 ALA 19 3HB ALA 19 -4.759 4.004 3.477
169 H GLY 20 H GLY 20 -3.317 0.746 1.191
170 HA2 GLY 20 2HA GLY 20 -5.034 0.619 -1.084
171 HA3 GLY 20 1HA GLY 20 -3.433 -0.072 -0.969
172 H GLN 21 H GLN 21 -4.013 -1.579 1.407
173 HA GLN 21 HA GLN 21 -5.404 -3.812 0.150
174 HB2 GLN 21 2HB GLN 21 -3.163 -4.018 1.346
175 HB3 GLN 21 1HB GLN 21 -4.049 -3.793 2.846
176 HG2 GLN 21 2HG GLN 21 -5.386 -5.781 2.351
177 HG3 GLN 21 1HG GLN 21 -4.477 -6.014 0.859
178 HE21 GLN 21 1HE2 GLN 21 -4.763 -7.754 3.194
179 HE22 GLN 21 2HE2 GLN 21 -3.159 -8.058 3.760
180 H LEU 22 H LEU 22 -5.627 -1.703 2.941
181 HA LEU 22 HA LEU 22 -7.809 -2.974 4.207
182 HB2 LEU 22 2HB LEU 22 -6.190 -1.250 5.165
183 HB3 LEU 22 1HB LEU 22 -7.163 -0.037 4.359
184 HG LEU 22 HG LEU 22 -9.130 -0.777 5.678
185 HD11 LEU 22 1HD1 LEU 22 -7.112 -2.503 7.104
186 HD12 LEU 22 2HD1 LEU 22 -8.453 -3.073 6.111
187 HD13 LEU 22 3HD1 LEU 22 -8.773 -2.221 7.622
188 HD21 LEU 22 3HD2 LEU 22 -7.856 1.120 6.441
189 HD22 LEU 22 1HD2 LEU 22 -6.689 0.063 7.235
190 HD23 LEU 22 2HD2 LEU 22 -8.346 0.155 7.832
191 H SER 23 H SER 23 -7.748 0.024 2.248
192 HA SER 23 HA SER 23 -10.531 0.253 2.112
193 HB2 SER 23 2HB SER 23 -9.061 2.165 1.708
194 HB3 SER 23 1HB SER 23 -8.483 1.388 0.241
195 HG SER 23 HG SER 23 -10.468 3.010 0.384
196 H SER 24 H SER 24 -8.559 -1.941 0.726
197 HA SER 24 HA SER 24 -10.073 -2.345 -1.703
198 HB2 SER 24 2HB SER 24 -7.636 -2.753 -1.679
199 HB3 SER 24 1HB SER 24 -7.878 -4.033 -0.495
200 HG SER 24 HG SER 24 -9.510 -4.563 -2.469
201 H GLN 25 H GLN 25 -9.580 -3.895 1.411
202 HA GLN 25 HA GLN 25 -11.130 -6.186 1.017
203 HB2 GLN 25 2HB GLN 25 -10.543 -4.595 3.517
204 HB3 GLN 25 1HB GLN 25 -11.378 -6.143 3.533
205 HG2 GLN 25 2HG GLN 25 -9.459 -7.268 2.678
206 HG3 GLN 25 1HG GLN 25 -8.632 -5.742 2.375
207 HE21 GLN 25 1HE2 GLN 25 -9.629 -8.036 4.782
208 HE22 GLN 25 2HE2 GLN 25 -8.654 -7.421 6.068
209 H LEU 26 H LEU 26 -12.039 -2.891 1.628
210 HA LEU 26 HA LEU 26 -14.747 -3.507 2.336
211 HB2 LEU 26 2HB LEU 26 -13.688 -0.823 1.505
212 HB3 LEU 26 1HB LEU 26 -15.076 -1.168 2.520
213 HG LEU 26 HG LEU 26 -12.278 -1.876 3.348
214 HD11 LEU 26 1HD1 LEU 26 -12.276 0.196 4.671
215 HD12 LEU 26 2HD1 LEU 26 -13.790 0.675 3.903
216 HD13 LEU 26 3HD1 LEU 26 -12.323 0.517 2.937
217 HD21 LEU 26 3HD2 LEU 26 -14.076 -3.011 4.530
218 HD22 LEU 26 1HD2 LEU 26 -14.837 -1.461 4.889
219 HD23 LEU 26 2HD2 LEU 26 -13.266 -1.855 5.589
220 H ALA 27 H ALA 27 -12.970 -2.539 -0.505
221 HA ALA 27 HA ALA 27 -14.964 -1.698 -2.192
222 HB1 ALA 27 1HB ALA 27 -13.535 -2.386 -4.035
223 HB2 ALA 27 2HB ALA 27 -12.585 -3.389 -2.939
224 HB3 ALA 27 3HB ALA 27 -12.586 -1.635 -2.752
225 H GLU 28 H GLU 28 -14.247 -4.952 -1.147
226 HA GLU 28 HA GLU 28 -15.864 -6.211 -3.076
227 HB2 GLU 28 2HB GLU 28 -15.118 -8.191 -2.260
228 HB3 GLU 28 1HB GLU 28 -13.829 -7.122 -1.716
229 HG2 GLU 28 2HG GLU 28 -14.782 -6.972 0.444
230 HG3 GLU 28 1HG GLU 28 -16.209 -7.843 -0.089
231 H LEU 29 H LEU 29 -16.314 -5.045 0.167
232 HA LEU 29 HA LEU 29 -19.163 -5.690 -0.068
233 HB2 LEU 29 2HB LEU 29 -17.423 -6.987 1.665
234 HB3 LEU 29 1HB LEU 29 -18.209 -5.792 2.677
235 HG LEU 29 HG LEU 29 -19.371 -7.936 2.768
236 HD11 LEU 29 1HD1 LEU 29 -20.943 -5.805 1.329
237 HD12 LEU 29 2HD1 LEU 29 -20.673 -5.905 3.069
238 HD13 LEU 29 3HD1 LEU 29 -21.627 -7.144 2.251
239 HD21 LEU 29 3HD2 LEU 29 -20.509 -8.833 0.815
240 HD22 LEU 29 1HD2 LEU 29 -18.770 -8.740 0.534
241 HD23 LEU 29 2HD2 LEU 29 -19.845 -7.539 -0.183
242 H SER 30 H SER 30 -18.430 -3.271 -0.782
243 HA SER 30 HA SER 30 -18.024 -1.317 1.108
244 HB2 SER 30 2HB SER 30 -17.862 -0.874 -1.284
245 HB3 SER 30 1HB SER 30 -19.597 -1.127 -1.465
246 HG SER 30 HG SER 30 -18.759 0.770 0.396
247 H GLU 31 H GLU 31 -21.125 -2.457 -0.206
248 HA GLU 31 HA GLU 31 -22.797 -0.835 1.311
249 HB2 GLU 31 2HB GLU 31 -23.282 -3.615 0.235
250 HB3 GLU 31 1HB GLU 31 -24.538 -2.579 0.895
251 HG2 GLU 31 2HG GLU 31 -24.649 -2.395 -1.456
252 HG3 GLU 31 1HG GLU 31 -23.944 -0.894 -0.857
253 H GLU 32 H GLU 32 -23.214 -0.746 3.410
254 HA GLU 32 HA GLU 32 -22.097 -2.660 5.223
255 HB2 GLU 32 2HB GLU 32 -23.898 -0.276 5.668
256 HB3 GLU 32 1HB GLU 32 -23.213 -1.245 6.965
257 HG2 GLU 32 2HG GLU 32 -21.629 0.288 4.918
258 HG3 GLU 32 1HG GLU 32 -21.956 0.818 6.566
259 H ALA 33 H ALA 33 -23.032 -4.365 6.157
260 HA ALA 33 HA ALA 33 -25.808 -4.961 5.474
261 HB1 ALA 33 1HB ALA 33 -23.705 -6.715 6.741
262 HB2 ALA 33 2HB ALA 33 -24.118 -6.673 5.026
263 HB3 ALA 33 3HB ALA 33 -25.303 -7.233 6.206
264 H LEU 34 H LEU 34 -27.424 -5.213 6.947
265 HA LEU 34 HA LEU 34 -27.154 -3.910 9.459
266 HB2 LEU 34 2HB LEU 34 -29.403 -5.626 8.406
267 HB3 LEU 34 1HB LEU 34 -29.491 -4.599 9.823
268 HG LEU 34 HG LEU 34 -29.044 -3.618 7.001
269 HD11 LEU 34 1HD1 LEU 34 -31.328 -2.761 7.162
270 HD12 LEU 34 2HD1 LEU 34 -31.507 -3.533 8.738
271 HD13 LEU 34 3HD1 LEU 34 -31.285 -4.519 7.292
272 HD21 LEU 34 3HD2 LEU 34 -28.020 -2.163 8.657
273 HD22 LEU 34 1HD2 LEU 34 -29.522 -2.129 9.582
274 HD23 LEU 34 2HD2 LEU 34 -29.458 -1.401 7.976
Start of MODEL 12
1 H1 MET 1 1HT MET 1 13.619 15.067 18.154
2 H2 MET 1 2HT MET 1 14.736 15.172 16.889
3 H3 MET 1 3HT MET 1 15.235 15.444 18.482
4 HA MET 1 HA MET 1 15.929 13.270 17.708
5 HB2 MET 1 2HB MET 1 15.464 13.603 20.088
6 HB3 MET 1 1HB MET 1 13.767 13.224 19.825
7 HG2 MET 1 2HG MET 1 14.960 11.344 20.796
8 HG3 MET 1 1HG MET 1 14.349 10.956 19.189
9 HE1 MET 1 2HE MET 1 17.675 8.892 19.387
10 HE2 MET 1 3HE MET 1 15.946 8.829 19.046
11 HE3 MET 1 1HE MET 1 16.510 9.195 20.676
12 H ASN 2 H ASN 2 15.438 12.322 15.816
13 HA ASN 2 HA ASN 2 12.826 10.984 15.630
14 HB2 ASN 2 2HB ASN 2 12.719 11.486 13.236
15 HB3 ASN 2 1HB ASN 2 12.785 12.972 14.179
16 HD21 ASN 2 1HD2 ASN 2 13.501 12.457 11.390
17 HD22 ASN 2 2HD2 ASN 2 15.147 12.955 11.226
18 H LYS 3 H LYS 3 12.891 9.295 13.799
19 HA LYS 3 HA LYS 3 15.527 7.989 13.741
20 HB2 LYS 3 2HB LYS 3 12.853 6.689 14.272
21 HB3 LYS 3 1HB LYS 3 14.328 5.797 13.928
22 HG2 LYS 3 2HG LYS 3 13.907 7.648 16.267
23 HG3 LYS 3 1HG LYS 3 13.844 5.886 16.321
24 HD2 LYS 3 2HD LYS 3 16.253 7.521 15.522
25 HD3 LYS 3 1HD LYS 3 16.006 6.780 17.104
26 HE2 LYS 3 2HE LYS 3 16.220 5.326 14.469
27 HE3 LYS 3 1HE LYS 3 17.467 5.410 15.713
28 HZ1 LYS 3 3HZ LYS 3 16.228 3.333 15.813
29 HZ2 LYS 3 1HZ LYS 3 14.784 4.182 16.049
30 HZ3 LYS 3 2HZ LYS 3 16.000 4.238 17.223
31 H LYS 4 H LYS 4 15.079 9.450 11.657
32 HA LYS 4 HA LYS 4 14.790 9.534 9.402
33 HB2 LYS 4 2HB LYS 4 15.197 6.551 9.676
34 HB3 LYS 4 1HB LYS 4 15.321 7.459 8.175
35 HG2 LYS 4 2HG LYS 4 17.065 7.869 10.594
36 HG3 LYS 4 1HG LYS 4 17.510 6.943 9.160
37 HD2 LYS 4 2HD LYS 4 17.230 8.974 7.793
38 HD3 LYS 4 1HD LYS 4 16.848 9.887 9.253
39 HE2 LYS 4 2HE LYS 4 19.171 10.220 8.634
40 HE3 LYS 4 1HE LYS 4 19.062 9.343 10.160
41 HZ1 LYS 4 3HZ LYS 4 19.582 8.135 7.497
42 HZ2 LYS 4 1HZ LYS 4 19.453 7.280 8.952
43 HZ3 LYS 4 2HZ LYS 4 20.726 8.368 8.721
44 H ASN 5 H ASN 5 12.429 9.859 10.436
45 HA ASN 5 HA ASN 5 10.521 7.864 9.616
46 HB2 ASN 5 2HB ASN 5 10.231 9.382 11.607
47 HB3 ASN 5 1HB ASN 5 9.980 10.710 10.481
48 HD21 ASN 5 1HD2 ASN 5 8.185 9.589 12.476
49 HD22 ASN 5 2HD2 ASN 5 6.764 9.099 11.623
50 H ILE 6 H ILE 6 11.662 10.983 8.442
51 HA ILE 6 HA ILE 6 9.765 11.145 6.302
52 HB ILE 6 HB ILE 6 12.366 12.641 6.666
53 HG12 ILE 6 2HG1 ILE 6 9.550 13.502 7.367
54 HG13 ILE 6 1HG1 ILE 6 10.727 12.911 8.536
55 HG21 ILE 6 1HG2 ILE 6 9.977 13.249 4.929
56 HG22 ILE 6 2HG2 ILE 6 11.551 12.686 4.368
57 HG23 ILE 6 3HG2 ILE 6 11.401 14.271 5.125
58 HD11 ILE 6 3HD1 ILE 6 12.197 14.789 7.986
59 HD12 ILE 6 1HD1 ILE 6 10.622 15.323 8.573
60 HD13 ILE 6 2HD1 ILE 6 10.988 15.388 6.849
61 H LEU 7 H LEU 7 9.829 9.641 4.746
62 HA LEU 7 HA LEU 7 12.446 9.002 3.556
63 HB2 LEU 7 2HB LEU 7 10.087 7.292 4.179
64 HB3 LEU 7 1HB LEU 7 11.045 6.900 2.763
65 HG LEU 7 HG LEU 7 12.367 7.258 5.425
66 HD11 LEU 7 1HD1 LEU 7 11.100 4.723 4.396
67 HD12 LEU 7 2HD1 LEU 7 10.568 5.656 5.796
68 HD13 LEU 7 3HD1 LEU 7 12.140 4.855 5.816
69 HD21 LEU 7 3HD2 LEU 7 13.999 5.725 4.454
70 HD22 LEU 7 1HD2 LEU 7 13.774 7.151 3.441
71 HD23 LEU 7 2HD2 LEU 7 13.028 5.619 2.986
72 HA PRO 8 HA PRO 8 10.922 10.470 -0.308
73 HB2 PRO 8 2HB PRO 8 12.322 9.007 -2.062
74 HB3 PRO 8 1HB PRO 8 13.068 10.256 -1.061
75 HG2 PRO 8 2HG PRO 8 13.022 7.301 -0.680
76 HG3 PRO 8 1HG PRO 8 14.355 8.443 -0.467
77 HD2 PRO 8 2HD PRO 8 12.881 7.456 1.600
78 HD3 PRO 8 1HD PRO 8 13.676 9.042 1.635
79 H GLN 9 H GLN 9 11.026 8.570 -2.598
80 HA GLN 9 HA GLN 9 8.335 7.739 -2.528
81 HB2 GLN 9 2HB GLN 9 10.545 7.107 -4.476
82 HB3 GLN 9 1HB GLN 9 8.858 6.704 -4.732
83 HG2 GLN 9 2HG GLN 9 8.260 9.046 -4.739
84 HG3 GLN 9 1HG GLN 9 9.927 9.491 -4.380
85 HE21 GLN 9 1HE2 GLN 9 9.065 6.905 -6.556
86 HE22 GLN 9 2HE2 GLN 9 9.590 7.684 -8.006
87 H GLN 10 H GLN 10 10.771 6.511 -0.962
88 HA GLN 10 HA GLN 10 10.458 3.703 -1.481
89 HB2 GLN 10 2HB GLN 10 11.921 5.137 0.739
90 HB3 GLN 10 1HB GLN 10 12.007 3.411 0.421
91 HG2 GLN 10 2HG GLN 10 12.984 3.863 -1.771
92 HG3 GLN 10 1HG GLN 10 12.899 5.593 -1.449
93 HE21 GLN 10 1HE2 GLN 10 15.114 5.851 -1.644
94 HE22 GLN 10 2HE2 GLN 10 16.222 5.287 -0.445
95 H GLY 11 H GLY 11 9.400 5.998 0.985
96 HA2 GLY 11 2HA GLY 11 7.937 3.851 2.351
97 HA3 GLY 11 1HA GLY 11 8.260 5.449 3.002
98 H GLN 12 H GLN 12 7.342 5.817 -0.126
99 HA GLN 12 HA GLN 12 4.905 7.019 0.505
100 HB2 GLN 12 2HB GLN 12 6.566 6.629 -1.832
101 HB3 GLN 12 1HB GLN 12 4.858 6.604 -2.209
102 HG2 GLN 12 2HG GLN 12 6.206 8.790 -0.657
103 HG3 GLN 12 1HG GLN 12 5.936 8.838 -2.398
104 HE21 GLN 12 1HE2 GLN 12 4.645 10.666 -2.241
105 HE22 GLN 12 2HE2 GLN 12 3.038 10.610 -1.610
106 HA PRO 13 HA PRO 13 2.855 3.160 -1.495
107 HB2 PRO 13 2HB PRO 13 4.852 1.045 -1.518
108 HB3 PRO 13 1HB PRO 13 3.960 1.737 -2.875
109 HG2 PRO 13 2HG PRO 13 6.631 2.101 -2.534
110 HG3 PRO 13 1HG PRO 13 5.587 3.304 -3.317
111 HD2 PRO 13 2HD PRO 13 6.596 3.231 -0.488
112 HD3 PRO 13 1HD PRO 13 6.515 4.615 -1.604
113 H VAL 14 H VAL 14 4.867 3.172 1.220
114 HA VAL 14 HA VAL 14 3.808 0.801 2.453
115 HB VAL 14 HB VAL 14 5.213 3.120 3.797
116 HG11 VAL 14 1HG1 VAL 14 5.790 1.458 5.503
117 HG12 VAL 14 2HG1 VAL 14 4.854 0.243 4.631
118 HG13 VAL 14 3HG1 VAL 14 4.044 1.642 5.337
119 HG21 VAL 14 3HG2 VAL 14 7.269 1.794 3.564
120 HG22 VAL 14 1HG2 VAL 14 6.602 2.261 2.000
121 HG23 VAL 14 2HG2 VAL 14 6.386 0.615 2.594
122 H ILE 15 H ILE 15 2.904 4.091 2.093
123 HA ILE 15 HA ILE 15 0.941 3.994 4.245
124 HB ILE 15 HB ILE 15 1.380 6.233 2.278
125 HG12 ILE 15 2HG1 ILE 15 3.512 5.589 3.413
126 HG13 ILE 15 1HG1 ILE 15 2.973 7.216 3.793
127 HG21 ILE 15 1HG2 ILE 15 -0.666 6.391 3.546
128 HG22 ILE 15 2HG2 ILE 15 0.471 7.612 4.112
129 HG23 ILE 15 3HG2 ILE 15 0.210 6.145 5.055
130 HD11 ILE 15 3HD1 ILE 15 2.640 4.797 5.551
131 HD12 ILE 15 1HD1 ILE 15 2.119 6.436 5.940
132 HD13 ILE 15 2HD1 ILE 15 3.836 6.076 5.758
133 H ARG 16 H ARG 16 1.237 3.521 0.891
134 HA ARG 16 HA ARG 16 -1.591 3.841 0.346
135 HB2 ARG 16 2HB ARG 16 -0.909 4.235 -1.726
136 HB3 ARG 16 1HB ARG 16 0.751 3.991 -1.199
137 HG2 ARG 16 2HG ARG 16 0.638 1.675 -1.735
138 HG3 ARG 16 1HG ARG 16 -1.079 1.790 -2.110
139 HD2 ARG 16 2HD ARG 16 0.081 1.810 -4.185
140 HD3 ARG 16 1HD ARG 16 -0.494 3.449 -3.875
141 HE ARG 16 HE ARG 16 2.164 3.078 -2.934
142 HH11 ARG 16 1HH1 ARG 16 0.282 3.614 -5.816
143 HH12 ARG 16 2HH1 ARG 16 1.573 4.393 -6.668
144 HH21 ARG 16 1HH2 ARG 16 3.870 4.098 -4.048
145 HH22 ARG 16 2HH2 ARG 16 3.614 4.666 -5.664
146 H LEU 17 H LEU 17 0.762 1.411 0.975
147 HA LEU 17 HA LEU 17 -0.853 -0.827 0.196
148 HB2 LEU 17 2HB LEU 17 1.683 -0.789 0.364
149 HB3 LEU 17 1HB LEU 17 1.485 -0.832 2.103
150 HG LEU 17 HG LEU 17 0.250 -2.997 1.844
151 HD11 LEU 17 1HD1 LEU 17 0.494 -4.216 -0.253
152 HD12 LEU 17 2HD1 LEU 17 1.261 -2.807 -0.989
153 HD13 LEU 17 3HD1 LEU 17 -0.427 -2.730 -0.483
154 HD21 LEU 17 3HD2 LEU 17 2.268 -4.329 1.469
155 HD22 LEU 17 1HD2 LEU 17 2.596 -2.936 2.499
156 HD23 LEU 17 2HD2 LEU 17 3.079 -2.912 0.804
157 H THR 18 H THR 18 -0.140 0.863 3.197
158 HA THR 18 HA THR 18 -1.376 -0.859 5.003
159 HB THR 18 HB THR 18 -1.044 2.141 5.072
160 HG1 THR 18 1HG THR 18 0.505 -0.054 5.978
161 HG21 THR 18 3HG2 THR 18 -2.793 1.505 6.609
162 HG22 THR 18 1HG2 THR 18 -1.337 1.923 7.509
163 HG23 THR 18 2HG2 THR 18 -1.780 0.230 7.282
164 H ALA 19 H ALA 19 -2.695 2.286 3.985
165 HA ALA 19 HA ALA 19 -5.335 1.615 4.712
166 HB1 ALA 19 1HB ALA 19 -4.549 3.927 4.642
167 HB2 ALA 19 2HB ALA 19 -5.975 3.705 3.627
168 HB3 ALA 19 3HB ALA 19 -4.377 3.816 2.890
169 H GLY 20 H GLY 20 -3.466 0.860 1.997
170 HA2 GLY 20 2HA GLY 20 -5.553 0.677 0.088
171 HA3 GLY 20 1HA GLY 20 -3.952 -0.006 -0.075
172 H GLN 21 H GLN 21 -4.034 -1.561 2.286
173 HA GLN 21 HA GLN 21 -5.198 -3.929 1.288
174 HB2 GLN 21 2HB GLN 21 -3.240 -3.853 2.815
175 HB3 GLN 21 1HB GLN 21 -4.304 -3.338 4.115
176 HG2 GLN 21 2HG GLN 21 -3.954 -5.644 4.414
177 HG3 GLN 21 1HG GLN 21 -5.586 -5.470 3.773
178 HE21 GLN 21 1HE2 GLN 21 -3.778 -7.763 3.723
179 HE22 GLN 21 2HE2 GLN 21 -3.582 -8.180 2.058
180 H LEU 22 H LEU 22 -6.171 -1.740 3.907
181 HA LEU 22 HA LEU 22 -8.501 -3.222 4.592
182 HB2 LEU 22 2HB LEU 22 -7.558 -0.434 5.214
183 HB3 LEU 22 1HB LEU 22 -9.116 -1.021 5.754
184 HG LEU 22 HG LEU 22 -7.906 -2.893 6.930
185 HD11 LEU 22 1HD1 LEU 22 -5.827 -2.818 5.668
186 HD12 LEU 22 2HD1 LEU 22 -5.526 -2.576 7.389
187 HD13 LEU 22 3HD1 LEU 22 -5.495 -1.199 6.286
188 HD21 LEU 22 3HD2 LEU 22 -8.746 -0.933 8.115
189 HD22 LEU 22 1HD2 LEU 22 -7.244 -0.075 7.773
190 HD23 LEU 22 2HD2 LEU 22 -7.230 -1.500 8.814
191 H SER 23 H SER 23 -7.915 -0.363 2.574
192 HA SER 23 HA SER 23 -10.643 0.047 1.979
193 HB2 SER 23 2HB SER 23 -9.043 1.882 1.819
194 HB3 SER 23 1HB SER 23 -8.214 1.031 0.523
195 HG SER 23 HG SER 23 -10.335 2.645 0.364
196 H SER 24 H SER 24 -8.768 -2.415 1.207
197 HA SER 24 HA SER 24 -9.725 -2.781 -1.513
198 HB2 SER 24 2HB SER 24 -7.362 -3.295 -1.062
199 HB3 SER 24 1HB SER 24 -7.853 -4.491 0.134
200 HG SER 24 HG SER 24 -9.027 -5.500 -1.677
201 H GLN 25 H GLN 25 -9.806 -4.360 1.645
202 HA GLN 25 HA GLN 25 -11.504 -6.484 0.959
203 HB2 GLN 25 2HB GLN 25 -10.983 -5.071 3.575
204 HB3 GLN 25 1HB GLN 25 -12.047 -6.468 3.452
205 HG2 GLN 25 2HG GLN 25 -9.150 -6.450 2.636
206 HG3 GLN 25 1HG GLN 25 -9.751 -7.012 4.194
207 HE21 GLN 25 1HE2 GLN 25 -8.311 -8.461 2.116
208 HE22 GLN 25 2HE2 GLN 25 -9.316 -9.796 1.677
209 H LEU 26 H LEU 26 -12.106 -3.137 1.600
210 HA LEU 26 HA LEU 26 -14.946 -3.502 1.911
211 HB2 LEU 26 2HB LEU 26 -13.467 -0.901 1.637
212 HB3 LEU 26 1HB LEU 26 -15.056 -1.161 2.336
213 HG LEU 26 HG LEU 26 -12.546 -2.312 3.522
214 HD11 LEU 26 1HD1 LEU 26 -13.932 0.274 4.222
215 HD12 LEU 26 2HD1 LEU 26 -12.336 0.113 3.487
216 HD13 LEU 26 3HD1 LEU 26 -12.614 -0.465 5.131
217 HD21 LEU 26 3HD2 LEU 26 -13.936 -2.498 5.534
218 HD22 LEU 26 1HD2 LEU 26 -14.610 -3.411 4.183
219 HD23 LEU 26 2HD2 LEU 26 -15.311 -1.856 4.635
220 H ALA 27 H ALA 27 -12.658 -2.270 -0.451
221 HA ALA 27 HA ALA 27 -14.326 -1.097 -2.285
222 HB1 ALA 27 1HB ALA 27 -11.899 -1.070 -2.483
223 HB2 ALA 27 2HB ALA 27 -12.644 -1.634 -3.979
224 HB3 ALA 27 3HB ALA 27 -11.902 -2.789 -2.872
225 H GLU 28 H GLU 28 -13.593 -4.533 -1.907
226 HA GLU 28 HA GLU 28 -15.148 -5.340 -4.102
227 HB2 GLU 28 2HB GLU 28 -14.396 -7.458 -3.725
228 HB3 GLU 28 1HB GLU 28 -13.118 -6.500 -2.981
229 HG2 GLU 28 2HG GLU 28 -14.056 -6.815 -0.828
230 HG3 GLU 28 1HG GLU 28 -15.465 -7.598 -1.524
231 H LEU 29 H LEU 29 -15.758 -4.857 -0.730
232 HA LEU 29 HA LEU 29 -18.550 -5.614 -1.189
233 HB2 LEU 29 2HB LEU 29 -16.775 -7.112 0.346
234 HB3 LEU 29 1HB LEU 29 -17.689 -6.191 1.523
235 HG LEU 29 HG LEU 29 -18.697 -8.376 1.155
236 HD11 LEU 29 1HD1 LEU 29 -20.363 -6.147 -0.003
237 HD12 LEU 29 2HD1 LEU 29 -20.160 -6.505 1.712
238 HD13 LEU 29 3HD1 LEU 29 -20.974 -7.663 0.660
239 HD21 LEU 29 3HD2 LEU 29 -19.016 -7.484 -1.707
240 HD22 LEU 29 1HD2 LEU 29 -19.678 -8.959 -1.004
241 HD23 LEU 29 2HD2 LEU 29 -17.931 -8.748 -1.129
242 H SER 30 H SER 30 -18.202 -3.122 -1.445
243 HA SER 30 HA SER 30 -17.828 -1.462 0.717
244 HB2 SER 30 2HB SER 30 -17.902 -0.630 -1.578
245 HB3 SER 30 1HB SER 30 -19.617 -1.030 -1.681
246 HG SER 30 HG SER 30 -19.467 1.126 -1.184
247 H GLU 31 H GLU 31 -20.854 -2.823 -0.531
248 HA GLU 31 HA GLU 31 -22.603 -1.613 1.267
249 HB2 GLU 31 2HB GLU 31 -22.875 -4.341 -0.005
250 HB3 GLU 31 1HB GLU 31 -24.179 -3.381 0.676
251 HG2 GLU 31 2HG GLU 31 -23.985 -1.749 -1.014
252 HG3 GLU 31 1HG GLU 31 -22.487 -2.454 -1.618
253 H GLU 32 H GLU 32 -22.502 -1.694 3.408
254 HA GLU 32 HA GLU 32 -21.249 -3.850 4.817
255 HB2 GLU 32 2HB GLU 32 -22.824 -1.456 5.777
256 HB3 GLU 32 1HB GLU 32 -22.026 -2.597 6.850
257 HG2 GLU 32 2HG GLU 32 -19.869 -2.022 5.880
258 HG3 GLU 32 1HG GLU 32 -20.658 -0.900 4.773
259 H ALA 33 H ALA 33 -22.275 -5.153 6.463
260 HA ALA 33 HA ALA 33 -25.080 -5.777 5.803
261 HB1 ALA 33 1HB ALA 33 -23.514 -7.553 5.179
262 HB2 ALA 33 2HB ALA 33 -24.617 -8.078 6.453
263 HB3 ALA 33 3HB ALA 33 -22.954 -7.644 6.849
264 H LEU 34 H LEU 34 -26.430 -6.550 7.543
265 HA LEU 34 HA LEU 34 -25.533 -6.138 10.266
266 HB2 LEU 34 2HB LEU 34 -26.151 -3.873 9.564
267 HB3 LEU 34 1HB LEU 34 -27.735 -4.446 9.080
268 HG LEU 34 HG LEU 34 -28.195 -5.049 11.452
269 HD11 LEU 34 1HD1 LEU 34 -25.600 -3.606 11.973
270 HD12 LEU 34 2HD1 LEU 34 -25.892 -5.329 12.202
271 HD13 LEU 34 3HD1 LEU 34 -26.747 -4.150 13.198
272 HD21 LEU 34 3HD2 LEU 34 -27.452 -2.169 10.957
273 HD22 LEU 34 1HD2 LEU 34 -28.539 -2.756 12.215
274 HD23 LEU 34 2HD2 LEU 34 -28.977 -2.937 10.517
Start of MODEL 13
1 H1 MET 1 1HT MET 1 7.409 11.760 21.331
2 H2 MET 1 2HT MET 1 6.958 11.618 22.956
3 H3 MET 1 3HT MET 1 7.488 10.257 22.103
4 HA MET 1 HA MET 1 9.144 12.638 22.693
5 HB2 MET 1 2HB MET 1 9.081 9.909 23.996
6 HB3 MET 1 1HB MET 1 10.336 11.110 24.267
7 HG2 MET 1 2HG MET 1 7.414 11.454 24.899
8 HG3 MET 1 1HG MET 1 8.685 11.085 26.062
9 HE1 MET 1 2HE MET 1 10.862 14.344 25.935
10 HE2 MET 1 3HE MET 1 11.086 12.875 24.984
11 HE3 MET 1 1HE MET 1 10.653 12.764 26.690
12 H ASN 2 H ASN 2 9.067 11.941 20.134
13 HA ASN 2 HA ASN 2 11.717 10.948 19.656
14 HB2 ASN 2 2HB ASN 2 10.503 8.822 19.834
15 HB3 ASN 2 1HB ASN 2 9.366 9.360 18.603
16 HD21 ASN 2 1HD2 ASN 2 10.028 9.474 16.460
17 HD22 ASN 2 2HD2 ASN 2 11.454 8.679 15.897
18 H LYS 3 H LYS 3 12.556 11.861 17.874
19 HA LYS 3 HA LYS 3 10.744 12.900 15.819
20 HB2 LYS 3 2HB LYS 3 12.931 14.496 17.164
21 HB3 LYS 3 1HB LYS 3 12.043 15.017 15.740
22 HG2 LYS 3 2HG LYS 3 9.955 14.941 17.061
23 HG3 LYS 3 1HG LYS 3 10.911 14.530 18.486
24 HD2 LYS 3 2HD LYS 3 11.306 17.025 16.838
25 HD3 LYS 3 1HD LYS 3 10.332 16.950 18.308
26 HE2 LYS 3 2HE LYS 3 13.276 16.325 18.101
27 HE3 LYS 3 1HE LYS 3 12.582 17.804 18.760
28 HZ1 LYS 3 3HZ LYS 3 12.187 15.071 19.853
29 HZ2 LYS 3 1HZ LYS 3 11.514 16.488 20.486
30 HZ3 LYS 3 2HZ LYS 3 13.189 16.263 20.512
31 H LYS 4 H LYS 4 11.687 10.846 14.906
32 HA LYS 4 HA LYS 4 13.760 11.537 13.060
33 HB2 LYS 4 2HB LYS 4 14.938 10.838 15.252
34 HB3 LYS 4 1HB LYS 4 14.412 9.210 14.852
35 HG2 LYS 4 2HG LYS 4 16.667 9.517 14.101
36 HG3 LYS 4 1HG LYS 4 15.608 9.391 12.697
37 HD2 LYS 4 2HD LYS 4 17.209 11.164 12.338
38 HD3 LYS 4 1HD LYS 4 15.598 11.859 12.526
39 HE2 LYS 4 2HE LYS 4 16.114 12.372 14.875
40 HE3 LYS 4 1HE LYS 4 17.734 11.713 14.652
41 HZ1 LYS 4 3HZ LYS 4 16.614 14.033 13.173
42 HZ2 LYS 4 1HZ LYS 4 18.183 13.420 13.022
43 HZ3 LYS 4 2HZ LYS 4 17.690 14.133 14.473
44 H ASN 5 H ASN 5 11.123 10.794 12.706
45 HA ASN 5 HA ASN 5 11.332 8.061 11.621
46 HB2 ASN 5 2HB ASN 5 8.847 9.589 12.426
47 HB3 ASN 5 1HB ASN 5 8.877 7.956 11.769
48 HD21 ASN 5 1HD2 ASN 5 7.874 8.945 14.326
49 HD22 ASN 5 2HD2 ASN 5 8.714 8.052 15.543
50 H ILE 6 H ILE 6 12.468 9.939 10.078
51 HA ILE 6 HA ILE 6 10.466 10.657 8.050
52 HB ILE 6 HB ILE 6 13.287 11.688 8.376
53 HG12 ILE 6 2HG1 ILE 6 10.660 13.084 8.934
54 HG13 ILE 6 1HG1 ILE 6 11.692 12.383 10.175
55 HG21 ILE 6 1HG2 ILE 6 12.622 13.361 6.706
56 HG22 ILE 6 2HG2 ILE 6 11.070 12.544 6.521
57 HG23 ILE 6 3HG2 ILE 6 12.561 11.721 6.063
58 HD11 ILE 6 3HD1 ILE 6 12.448 14.625 8.317
59 HD12 ILE 6 1HD1 ILE 6 13.475 13.930 9.570
60 HD13 ILE 6 2HD1 ILE 6 11.999 14.785 10.015
61 H LEU 7 H LEU 7 10.267 8.961 6.698
62 HA LEU 7 HA LEU 7 12.671 7.578 5.761
63 HB2 LEU 7 2HB LEU 7 9.732 6.938 5.558
64 HB3 LEU 7 1HB LEU 7 10.956 6.036 4.685
65 HG LEU 7 HG LEU 7 12.021 5.570 6.960
66 HD11 LEU 7 1HD1 LEU 7 9.320 6.541 7.875
67 HD12 LEU 7 2HD1 LEU 7 10.883 7.262 8.257
68 HD13 LEU 7 3HD1 LEU 7 10.477 5.660 8.873
69 HD21 LEU 7 3HD2 LEU 7 10.505 3.707 7.397
70 HD22 LEU 7 1HD2 LEU 7 10.809 3.892 5.668
71 HD23 LEU 7 2HD2 LEU 7 9.286 4.450 6.361
72 HA PRO 8 HA PRO 8 12.444 9.485 1.785
73 HB2 PRO 8 2HB PRO 8 13.615 7.707 0.198
74 HB3 PRO 8 1HB PRO 8 14.507 8.533 1.480
75 HG2 PRO 8 2HG PRO 8 13.389 5.782 1.422
76 HG3 PRO 8 1HG PRO 8 14.912 6.366 2.101
77 HD2 PRO 8 2HD PRO 8 12.608 5.853 3.548
78 HD3 PRO 8 1HD PRO 8 13.950 6.876 4.096
79 H GLN 9 H GLN 9 12.329 7.918 -0.663
80 HA GLN 9 HA GLN 9 9.513 7.872 -0.989
81 HB2 GLN 9 2HB GLN 9 11.737 7.062 -2.853
82 HB3 GLN 9 1HB GLN 9 10.047 7.159 -3.312
83 HG2 GLN 9 2HG GLN 9 10.076 9.567 -2.718
84 HG3 GLN 9 1HG GLN 9 11.809 9.426 -2.428
85 HE21 GLN 9 1HE2 GLN 9 10.159 7.684 -4.959
86 HE22 GLN 9 2HE2 GLN 9 10.853 8.554 -6.281
87 H GLN 10 H GLN 10 11.377 5.822 0.481
88 HA GLN 10 HA GLN 10 10.480 3.318 -0.611
89 HB2 GLN 10 2HB GLN 10 11.986 3.953 1.929
90 HB3 GLN 10 1HB GLN 10 11.646 2.327 1.352
91 HG2 GLN 10 2HG GLN 10 12.934 2.797 -0.684
92 HG3 GLN 10 1HG GLN 10 13.306 4.403 -0.059
93 HE21 GLN 10 1HE2 GLN 10 13.126 1.572 1.968
94 HE22 GLN 10 2HE2 GLN 10 14.813 1.476 2.325
95 H GLY 11 H GLY 11 9.615 5.433 2.046
96 HA2 GLY 11 2HA GLY 11 7.663 3.501 3.042
97 HA3 GLY 11 1HA GLY 11 8.108 5.013 3.812
98 H GLN 12 H GLN 12 7.691 5.640 0.629
99 HA GLN 12 HA GLN 12 5.346 7.116 1.013
100 HB2 GLN 12 2HB GLN 12 7.279 6.658 -1.096
101 HB3 GLN 12 1HB GLN 12 5.653 6.875 -1.706
102 HG2 GLN 12 2HG GLN 12 5.501 8.990 -0.431
103 HG3 GLN 12 1HG GLN 12 7.181 8.767 0.054
104 HE21 GLN 12 1HE2 GLN 12 7.915 7.628 -2.543
105 HE22 GLN 12 2HE2 GLN 12 7.989 8.959 -3.641
106 HA PRO 13 HA PRO 13 3.130 3.681 -1.463
107 HB2 PRO 13 2HB PRO 13 4.853 1.416 -1.835
108 HB3 PRO 13 1HB PRO 13 4.263 2.537 -3.064
109 HG2 PRO 13 2HG PRO 13 6.902 2.321 -2.302
110 HG3 PRO 13 1HG PRO 13 6.188 3.767 -3.039
111 HD2 PRO 13 2HD PRO 13 6.721 3.185 -0.143
112 HD3 PRO 13 1HD PRO 13 6.972 4.701 -1.042
113 H VAL 14 H VAL 14 5.010 3.141 1.268
114 HA VAL 14 HA VAL 14 3.797 0.679 2.105
115 HB VAL 14 HB VAL 14 6.012 2.113 2.906
116 HG11 VAL 14 1HG1 VAL 14 4.594 3.602 4.241
117 HG12 VAL 14 2HG1 VAL 14 5.718 2.675 5.236
118 HG13 VAL 14 3HG1 VAL 14 4.019 2.209 5.155
119 HG21 VAL 14 3HG2 VAL 14 6.301 0.335 4.572
120 HG22 VAL 14 1HG2 VAL 14 5.749 -0.301 3.023
121 HG23 VAL 14 2HG2 VAL 14 4.613 -0.126 4.361
122 H ILE 15 H ILE 15 3.121 4.041 2.266
123 HA ILE 15 HA ILE 15 1.101 3.812 4.323
124 HB ILE 15 HB ILE 15 1.727 6.142 2.509
125 HG12 ILE 15 2HG1 ILE 15 3.666 5.352 3.875
126 HG13 ILE 15 1HG1 ILE 15 3.152 6.988 4.249
127 HG21 ILE 15 1HG2 ILE 15 0.214 5.989 5.112
128 HG22 ILE 15 2HG2 ILE 15 -0.462 6.319 3.518
129 HG23 ILE 15 3HG2 ILE 15 0.634 7.479 4.268
130 HD11 ILE 15 3HD1 ILE 15 3.715 5.723 6.255
131 HD12 ILE 15 1HD1 ILE 15 2.480 4.530 5.850
132 HD13 ILE 15 2HD1 ILE 15 2.013 6.186 6.242
133 H ARG 16 H ARG 16 1.345 3.773 0.906
134 HA ARG 16 HA ARG 16 -1.467 4.171 0.397
135 HB2 ARG 16 2HB ARG 16 0.348 2.971 -1.636
136 HB3 ARG 16 1HB ARG 16 -0.907 4.182 -1.841
137 HG2 ARG 16 2HG ARG 16 0.568 5.811 -0.679
138 HG3 ARG 16 1HG ARG 16 1.831 4.577 -0.698
139 HD2 ARG 16 2HD ARG 16 0.448 5.677 -3.140
140 HD3 ARG 16 1HD ARG 16 2.024 6.207 -2.555
141 HE ARG 16 HE ARG 16 1.952 3.392 -2.966
142 HH11 ARG 16 1HH1 ARG 16 2.229 6.442 -4.631
143 HH12 ARG 16 2HH1 ARG 16 3.107 5.778 -5.967
144 HH21 ARG 16 1HH2 ARG 16 3.112 2.511 -4.722
145 HH22 ARG 16 2HH2 ARG 16 3.609 3.546 -6.019
146 H LEU 17 H LEU 17 0.857 1.592 0.490
147 HA LEU 17 HA LEU 17 -0.858 -0.514 -0.314
148 HB2 LEU 17 2HB LEU 17 1.678 -0.546 -0.223
149 HB3 LEU 17 1HB LEU 17 1.530 -0.764 1.508
150 HG LEU 17 HG LEU 17 0.302 -2.876 1.126
151 HD11 LEU 17 1HD1 LEU 17 0.317 -3.869 -1.118
152 HD12 LEU 17 2HD1 LEU 17 0.963 -2.364 -1.771
153 HD13 LEU 17 3HD1 LEU 17 -0.648 -2.395 -1.054
154 HD21 LEU 17 3HD2 LEU 17 2.231 -4.180 0.395
155 HD22 LEU 17 1HD2 LEU 17 2.714 -2.892 1.501
156 HD23 LEU 17 2HD2 LEU 17 2.989 -2.717 -0.232
157 H THR 18 H THR 18 -0.075 0.867 2.838
158 HA THR 18 HA THR 18 -1.319 -1.054 4.446
159 HB THR 18 HB THR 18 -0.879 1.900 4.888
160 HG1 THR 18 1HG THR 18 0.918 1.164 6.059
161 HG21 THR 18 3HG2 THR 18 -1.707 -0.238 6.843
162 HG22 THR 18 1HG2 THR 18 -2.657 1.159 6.341
163 HG23 THR 18 2HG2 THR 18 -1.185 1.388 7.285
164 H ALA 19 H ALA 19 -2.562 2.231 3.850
165 HA ALA 19 HA ALA 19 -5.201 1.611 4.553
166 HB1 ALA 19 1HB ALA 19 -4.355 3.902 4.542
167 HB2 ALA 19 2HB ALA 19 -5.801 3.757 3.543
168 HB3 ALA 19 3HB ALA 19 -4.211 3.844 2.785
169 H GLY 20 H GLY 20 -3.413 0.925 1.766
170 HA2 GLY 20 2HA GLY 20 -5.519 0.860 -0.118
171 HA3 GLY 20 1HA GLY 20 -3.954 0.103 -0.308
172 H GLN 21 H GLN 21 -3.926 -1.617 1.790
173 HA GLN 21 HA GLN 21 -5.341 -3.828 0.813
174 HB2 GLN 21 2HB GLN 21 -3.270 -3.913 2.216
175 HB3 GLN 21 1HB GLN 21 -4.248 -3.480 3.609
176 HG2 GLN 21 2HG GLN 21 -3.872 -5.850 3.593
177 HG3 GLN 21 1HG GLN 21 -5.577 -5.523 3.289
178 HE21 GLN 21 1HE2 GLN 21 -5.908 -7.499 2.298
179 HE22 GLN 21 2HE2 GLN 21 -5.292 -7.865 0.727
180 H LEU 22 H LEU 22 -6.005 -1.649 3.516
181 HA LEU 22 HA LEU 22 -8.328 -3.016 4.411
182 HB2 LEU 22 2HB LEU 22 -7.222 -0.262 4.881
183 HB3 LEU 22 1HB LEU 22 -8.777 -0.738 5.529
184 HG LEU 22 HG LEU 22 -7.623 -2.628 6.714
185 HD11 LEU 22 1HD1 LEU 22 -5.631 -2.769 5.325
186 HD12 LEU 22 2HD1 LEU 22 -5.202 -2.474 7.010
187 HD13 LEU 22 3HD1 LEU 22 -5.142 -1.154 5.841
188 HD21 LEU 22 3HD2 LEU 22 -6.709 0.168 7.377
189 HD22 LEU 22 1HD2 LEU 22 -6.710 -1.207 8.481
190 HD23 LEU 22 2HD2 LEU 22 -8.235 -0.571 7.865
191 H SER 23 H SER 23 -7.804 -0.230 2.275
192 HA SER 23 HA SER 23 -10.550 0.269 1.877
193 HB2 SER 23 2HB SER 23 -8.905 2.034 1.536
194 HB3 SER 23 1HB SER 23 -8.200 1.111 0.217
195 HG SER 23 HG SER 23 -9.698 1.830 -1.062
196 H SER 24 H SER 24 -8.807 -2.273 1.012
197 HA SER 24 HA SER 24 -10.063 -2.688 -1.580
198 HB2 SER 24 2HB SER 24 -7.947 -4.252 -0.101
199 HB3 SER 24 1HB SER 24 -8.651 -4.775 -1.629
200 HG SER 24 HG SER 24 -7.410 -3.410 -2.623
201 H GLN 25 H GLN 25 -10.109 -3.792 1.716
202 HA GLN 25 HA GLN 25 -11.677 -6.108 1.351
203 HB2 GLN 25 2HB GLN 25 -11.227 -4.301 3.723
204 HB3 GLN 25 1HB GLN 25 -12.246 -5.732 3.811
205 HG2 GLN 25 2HG GLN 25 -10.358 -7.135 3.202
206 HG3 GLN 25 1HG GLN 25 -9.332 -5.709 3.055
207 HE21 GLN 25 1HE2 GLN 25 -8.688 -4.616 4.915
208 HE22 GLN 25 2HE2 GLN 25 -8.790 -5.335 6.483
209 H LEU 26 H LEU 26 -12.426 -2.717 1.593
210 HA LEU 26 HA LEU 26 -15.238 -3.125 1.941
211 HB2 LEU 26 2HB LEU 26 -13.873 -0.585 1.084
212 HB3 LEU 26 1HB LEU 26 -15.438 -0.751 1.859
213 HG LEU 26 HG LEU 26 -12.880 -1.541 3.219
214 HD11 LEU 26 1HD1 LEU 26 -12.956 0.625 4.363
215 HD12 LEU 26 2HD1 LEU 26 -14.298 1.118 3.332
216 HD13 LEU 26 3HD1 LEU 26 -12.711 0.814 2.627
217 HD21 LEU 26 3HD2 LEU 26 -14.223 -1.305 5.244
218 HD22 LEU 26 1HD2 LEU 26 -14.943 -2.475 4.137
219 HD23 LEU 26 2HD2 LEU 26 -15.622 -0.853 4.270
220 H ALA 27 H ALA 27 -13.037 -2.338 -0.674
221 HA ALA 27 HA ALA 27 -14.842 -1.715 -2.673
222 HB1 ALA 27 1HB ALA 27 -13.104 -2.364 -4.257
223 HB2 ALA 27 2HB ALA 27 -12.233 -3.197 -2.970
224 HB3 ALA 27 3HB ALA 27 -12.425 -1.445 -2.914
225 H GLU 28 H GLU 28 -13.736 -4.861 -1.538
226 HA GLU 28 HA GLU 28 -15.119 -6.335 -3.483
227 HB2 GLU 28 2HB GLU 28 -14.188 -8.208 -2.580
228 HB3 GLU 28 1HB GLU 28 -13.043 -6.975 -2.060
229 HG2 GLU 28 2HG GLU 28 -14.024 -6.868 0.081
230 HG3 GLU 28 1HG GLU 28 -15.353 -7.893 -0.433
231 H LEU 29 H LEU 29 -15.915 -5.079 -0.366
232 HA LEU 29 HA LEU 29 -18.644 -6.043 -0.701
233 HB2 LEU 29 2HB LEU 29 -16.852 -7.289 1.061
234 HB3 LEU 29 1HB LEU 29 -17.869 -6.284 2.072
235 HG LEU 29 HG LEU 29 -18.765 -8.538 1.928
236 HD11 LEU 29 1HD1 LEU 29 -20.343 -6.700 2.162
237 HD12 LEU 29 2HD1 LEU 29 -21.037 -8.006 1.200
238 HD13 LEU 29 3HD1 LEU 29 -20.441 -6.546 0.408
239 HD21 LEU 29 3HD2 LEU 29 -17.848 -9.175 -0.230
240 HD22 LEU 29 1HD2 LEU 29 -18.920 -8.033 -1.040
241 HD23 LEU 29 2HD2 LEU 29 -19.593 -9.429 -0.199
242 H SER 30 H SER 30 -18.948 -3.798 -1.189
243 HA SER 30 HA SER 30 -18.313 -1.637 0.338
244 HB2 SER 30 2HB SER 30 -19.364 -1.417 -1.847
245 HB3 SER 30 1HB SER 30 -20.863 -2.100 -1.218
246 HG SER 30 HG SER 30 -21.165 0.054 -1.123
247 H GLU 31 H GLU 31 -21.335 -3.511 0.571
248 HA GLU 31 HA GLU 31 -22.476 -2.177 2.705
249 HB2 GLU 31 2HB GLU 31 -22.661 -5.133 2.092
250 HB3 GLU 31 1HB GLU 31 -23.780 -4.214 3.091
251 HG2 GLU 31 2HG GLU 31 -24.515 -2.942 1.229
252 HG3 GLU 31 1HG GLU 31 -23.278 -3.643 0.189
253 H GLU 32 H GLU 32 -22.180 -2.142 4.856
254 HA GLU 32 HA GLU 32 -20.487 -4.164 6.114
255 HB2 GLU 32 2HB GLU 32 -19.145 -2.455 7.261
256 HB3 GLU 32 1HB GLU 32 -18.950 -2.365 5.515
257 HG2 GLU 32 2HG GLU 32 -20.470 -0.473 5.423
258 HG3 GLU 32 1HG GLU 32 -20.724 -0.578 7.165
259 H ALA 33 H ALA 33 -23.181 -2.177 6.136
260 HA ALA 33 HA ALA 33 -23.473 -2.107 9.030
261 HB1 ALA 33 1HB ALA 33 -25.342 -1.131 6.874
262 HB2 ALA 33 2HB ALA 33 -24.138 -0.153 7.713
263 HB3 ALA 33 3HB ALA 33 -25.500 -0.831 8.605
264 H LEU 34 H LEU 34 -25.317 -2.995 10.110
265 HA LEU 34 HA LEU 34 -26.900 -4.987 8.716
266 HB2 LEU 34 2HB LEU 34 -24.889 -6.235 9.317
267 HB3 LEU 34 1HB LEU 34 -25.052 -5.725 10.987
268 HG LEU 34 HG LEU 34 -27.189 -6.982 11.127
269 HD11 LEU 34 1HD1 LEU 34 -26.418 -7.960 8.382
270 HD12 LEU 34 2HD1 LEU 34 -27.802 -6.940 8.773
271 HD13 LEU 34 3HD1 LEU 34 -27.730 -8.597 9.374
272 HD21 LEU 34 3HD2 LEU 34 -24.796 -8.598 10.256
273 HD22 LEU 34 1HD2 LEU 34 -26.169 -9.201 11.187
274 HD23 LEU 34 2HD2 LEU 34 -25.098 -7.985 11.882
Start of MODEL 14
1 H1 MET 1 1HT MET 1 -7.812 15.304 -1.084
2 H2 MET 1 2HT MET 1 -8.404 15.502 0.489
3 H3 MET 1 3HT MET 1 -7.370 14.212 0.130
4 HA MET 1 HA MET 1 -5.559 15.701 -0.310
5 HB2 MET 1 2HB MET 1 -7.543 17.859 0.440
6 HB3 MET 1 1HB MET 1 -5.827 18.113 0.151
7 HG2 MET 1 2HG MET 1 -6.130 17.331 -2.163
8 HG3 MET 1 1HG MET 1 -7.858 17.169 -1.857
9 HE1 MET 1 2HE MET 1 -8.334 18.710 -3.984
10 HE2 MET 1 3HE MET 1 -6.601 18.891 -4.260
11 HE3 MET 1 1HE MET 1 -7.638 20.317 -4.199
12 H ASN 2 H ASN 2 -4.127 16.231 1.355
13 HA ASN 2 HA ASN 2 -4.954 16.667 4.038
14 HB2 ASN 2 2HB ASN 2 -4.139 14.542 5.000
15 HB3 ASN 2 1HB ASN 2 -5.526 14.297 3.941
16 HD21 ASN 2 1HD2 ASN 2 -5.245 13.262 1.974
17 HD22 ASN 2 2HD2 ASN 2 -3.822 12.355 1.605
18 H LYS 3 H LYS 3 -3.004 16.377 5.569
19 HA LYS 3 HA LYS 3 -0.596 17.293 4.139
20 HB2 LYS 3 2HB LYS 3 -1.440 17.884 6.984
21 HB3 LYS 3 1HB LYS 3 -0.010 18.516 6.178
22 HG2 LYS 3 2HG LYS 3 -1.400 19.741 4.613
23 HG3 LYS 3 1HG LYS 3 -2.854 19.062 5.348
24 HD2 LYS 3 2HD LYS 3 -2.248 20.141 7.481
25 HD3 LYS 3 1HD LYS 3 -0.840 20.861 6.696
26 HE2 LYS 3 2HE LYS 3 -2.685 22.453 6.826
27 HE3 LYS 3 1HE LYS 3 -2.304 22.055 5.151
28 HZ1 LYS 3 3HZ LYS 3 -4.173 20.538 5.111
29 HZ2 LYS 3 1HZ LYS 3 -4.691 22.087 5.555
30 HZ3 LYS 3 2HZ LYS 3 -4.529 20.881 6.729
31 H LYS 4 H LYS 4 -0.624 14.703 4.081
32 HA LYS 4 HA LYS 4 1.109 13.843 6.302
33 HB2 LYS 4 2HB LYS 4 -1.091 12.758 6.459
34 HB3 LYS 4 1HB LYS 4 -0.915 12.155 4.818
35 HG2 LYS 4 2HG LYS 4 -0.445 10.411 6.430
36 HG3 LYS 4 1HG LYS 4 1.006 10.813 5.511
37 HD2 LYS 4 2HD LYS 4 1.544 10.529 7.864
38 HD3 LYS 4 1HD LYS 4 1.785 12.208 7.381
39 HE2 LYS 4 2HE LYS 4 0.684 12.058 9.557
40 HE3 LYS 4 1HE LYS 4 -0.366 12.809 8.358
41 HZ1 LYS 4 3HZ LYS 4 -1.572 11.212 9.701
42 HZ2 LYS 4 1HZ LYS 4 -0.504 9.979 9.249
43 HZ3 LYS 4 2HZ LYS 4 -1.509 10.694 8.092
44 H ASN 5 H ASN 5 3.063 13.168 5.714
45 HA ASN 5 HA ASN 5 3.561 11.721 3.305
46 HB2 ASN 5 2HB ASN 5 3.411 13.954 2.325
47 HB3 ASN 5 1HB ASN 5 4.593 14.560 3.481
48 HD21 ASN 5 1HD2 ASN 5 5.998 15.211 1.868
49 HD22 ASN 5 2HD2 ASN 5 6.916 14.089 0.931
50 H ILE 6 H ILE 6 4.574 10.223 4.586
51 HA ILE 6 HA ILE 6 6.870 11.101 6.186
52 HB ILE 6 HB ILE 6 5.446 8.436 6.138
53 HG12 ILE 6 2HG1 ILE 6 5.476 10.563 8.290
54 HG13 ILE 6 1HG1 ILE 6 4.175 10.367 7.120
55 HG21 ILE 6 1HG2 ILE 6 7.776 8.140 6.692
56 HG22 ILE 6 2HG2 ILE 6 6.797 7.938 8.145
57 HG23 ILE 6 3HG2 ILE 6 7.691 9.435 7.885
58 HD11 ILE 6 3HD1 ILE 6 3.720 8.140 7.985
59 HD12 ILE 6 1HD1 ILE 6 3.629 9.351 9.265
60 HD13 ILE 6 2HD1 ILE 6 5.046 8.308 9.135
61 H LEU 7 H LEU 7 8.850 10.866 5.412
62 HA LEU 7 HA LEU 7 10.641 10.176 4.208
63 HB2 LEU 7 2HB LEU 7 9.033 7.729 4.544
64 HB3 LEU 7 1HB LEU 7 10.212 7.679 3.249
65 HG LEU 7 HG LEU 7 11.145 8.617 5.910
66 HD11 LEU 7 1HD1 LEU 7 11.487 6.321 6.673
67 HD12 LEU 7 2HD1 LEU 7 10.613 5.720 5.263
68 HD13 LEU 7 3HD1 LEU 7 9.770 6.681 6.479
69 HD21 LEU 7 3HD2 LEU 7 12.726 8.605 4.121
70 HD22 LEU 7 1HD2 LEU 7 12.300 6.951 3.685
71 HD23 LEU 7 2HD2 LEU 7 13.130 7.276 5.207
72 HA PRO 8 HA PRO 8 10.010 11.146 -0.055
73 HB2 PRO 8 2HB PRO 8 12.110 9.103 -0.568
74 HB3 PRO 8 1HB PRO 8 12.022 10.779 -1.120
75 HG2 PRO 8 2HG PRO 8 13.660 10.144 0.823
76 HG3 PRO 8 1HG PRO 8 12.668 11.607 0.972
77 HD2 PRO 8 2HD PRO 8 12.262 8.912 2.226
78 HD3 PRO 8 1HD PRO 8 12.095 10.525 2.934
79 H GLN 9 H GLN 9 10.714 9.246 -2.146
80 HA GLN 9 HA GLN 9 8.223 7.955 -2.430
81 HB2 GLN 9 2HB GLN 9 10.775 7.770 -4.014
82 HB3 GLN 9 1HB GLN 9 9.291 6.959 -4.481
83 HG2 GLN 9 2HG GLN 9 8.158 9.114 -4.653
84 HG3 GLN 9 1HG GLN 9 9.646 9.929 -4.179
85 HE21 GLN 9 1HE2 GLN 9 11.329 8.097 -5.702
86 HE22 GLN 9 2HE2 GLN 9 11.134 8.536 -7.361
87 H GLN 10 H GLN 10 10.578 7.199 -0.488
88 HA GLN 10 HA GLN 10 10.798 4.363 -0.918
89 HB2 GLN 10 2HB GLN 10 11.691 6.004 1.458
90 HB3 GLN 10 1HB GLN 10 12.177 4.356 1.086
91 HG2 GLN 10 2HG GLN 10 13.284 5.133 -0.944
92 HG3 GLN 10 1HG GLN 10 12.793 6.786 -0.578
93 HE21 GLN 10 1HE2 GLN 10 13.788 7.886 1.110
94 HE22 GLN 10 2HE2 GLN 10 15.275 7.351 1.807
95 H GLY 11 H GLY 11 9.393 6.445 1.608
96 HA2 GLY 11 2HA GLY 11 7.932 4.144 2.673
97 HA3 GLY 11 1HA GLY 11 8.095 5.713 3.441
98 H GLN 12 H GLN 12 7.403 6.187 0.261
99 HA GLN 12 HA GLN 12 4.878 7.256 0.728
100 HB2 GLN 12 2HB GLN 12 6.706 6.957 -1.490
101 HB3 GLN 12 1HB GLN 12 5.033 6.836 -1.989
102 HG2 GLN 12 2HG GLN 12 6.266 9.104 -0.454
103 HG3 GLN 12 1HG GLN 12 5.843 9.118 -2.165
104 HE21 GLN 12 1HE2 GLN 12 4.926 10.846 -0.008
105 HE22 GLN 12 2HE2 GLN 12 3.205 10.700 0.029
106 HA PRO 13 HA PRO 13 3.110 3.334 -1.412
107 HB2 PRO 13 2HB PRO 13 5.191 1.305 -1.345
108 HB3 PRO 13 1HB PRO 13 4.350 1.977 -2.743
109 HG2 PRO 13 2HG PRO 13 6.980 2.446 -2.245
110 HG3 PRO 13 1HG PRO 13 5.934 3.617 -3.073
111 HD2 PRO 13 2HD PRO 13 6.778 3.543 -0.191
112 HD3 PRO 13 1HD PRO 13 6.709 4.938 -1.294
113 H VAL 14 H VAL 14 4.970 3.401 1.406
114 HA VAL 14 HA VAL 14 3.994 0.970 2.575
115 HB VAL 14 HB VAL 14 5.160 3.393 3.967
116 HG11 VAL 14 1HG1 VAL 14 5.689 1.818 5.767
117 HG12 VAL 14 2HG1 VAL 14 4.880 0.530 4.875
118 HG13 VAL 14 3HG1 VAL 14 3.953 1.906 5.471
119 HG21 VAL 14 3HG2 VAL 14 7.289 2.179 3.920
120 HG22 VAL 14 1HG2 VAL 14 6.706 2.537 2.294
121 HG23 VAL 14 2HG2 VAL 14 6.539 0.910 2.953
122 H ILE 15 H ILE 15 2.880 4.200 2.183
123 HA ILE 15 HA ILE 15 0.808 3.940 4.207
124 HB ILE 15 HB ILE 15 1.315 6.223 2.307
125 HG12 ILE 15 2HG1 ILE 15 3.275 5.643 3.768
126 HG13 ILE 15 1HG1 ILE 15 2.639 7.262 4.005
127 HG21 ILE 15 1HG2 ILE 15 -0.249 6.054 4.878
128 HG22 ILE 15 2HG2 ILE 15 -0.904 6.263 3.254
129 HG23 ILE 15 3HG2 ILE 15 0.071 7.539 3.982
130 HD11 ILE 15 3HD1 ILE 15 1.502 6.537 6.024
131 HD12 ILE 15 1HD1 ILE 15 3.225 6.176 6.113
132 HD13 ILE 15 2HD1 ILE 15 2.070 4.889 5.766
133 H ARG 16 H ARG 16 1.287 3.686 0.824
134 HA ARG 16 HA ARG 16 -1.510 3.838 0.144
135 HB2 ARG 16 2HB ARG 16 -0.741 4.278 -1.887
136 HB3 ARG 16 1HB ARG 16 0.892 4.134 -1.253
137 HG2 ARG 16 2HG ARG 16 0.971 1.828 -1.826
138 HG3 ARG 16 1HG ARG 16 -0.723 1.834 -2.309
139 HD2 ARG 16 2HD ARG 16 0.596 1.967 -4.297
140 HD3 ARG 16 1HD ARG 16 -0.165 3.536 -4.019
141 HE ARG 16 HE ARG 16 2.566 3.168 -3.061
142 HH11 ARG 16 1HH1 ARG 16 0.390 4.521 -5.423
143 HH12 ARG 16 2HH1 ARG 16 1.548 5.658 -6.027
144 HH21 ARG 16 1HH2 ARG 16 4.096 4.663 -3.852
145 HH22 ARG 16 2HH2 ARG 16 3.653 5.739 -5.134
146 H LEU 17 H LEU 17 0.891 1.460 0.816
147 HA LEU 17 HA LEU 17 -0.647 -0.799 -0.071
148 HB2 LEU 17 2HB LEU 17 1.874 -0.691 0.125
149 HB3 LEU 17 1HB LEU 17 1.669 -0.779 1.860
150 HG LEU 17 HG LEU 17 0.553 -2.982 1.586
151 HD11 LEU 17 1HD1 LEU 17 0.783 -4.149 -0.560
152 HD12 LEU 17 2HD1 LEU 17 1.401 -2.667 -1.290
153 HD13 LEU 17 3HD1 LEU 17 -0.254 -2.729 -0.690
154 HD21 LEU 17 3HD2 LEU 17 3.313 -2.806 0.383
155 HD22 LEU 17 1HD2 LEU 17 2.590 -4.223 1.146
156 HD23 LEU 17 2HD2 LEU 17 2.946 -2.788 2.107
157 H THR 18 H THR 18 0.105 0.684 3.052
158 HA THR 18 HA THR 18 -1.198 -1.117 4.716
159 HB THR 18 HB THR 18 -0.818 1.864 5.005
160 HG1 THR 18 1HG THR 18 0.731 -0.403 5.556
161 HG21 THR 18 3HG2 THR 18 -1.166 1.495 7.408
162 HG22 THR 18 1HG2 THR 18 -1.593 -0.183 7.076
163 HG23 THR 18 2HG2 THR 18 -2.607 1.123 6.464
164 H ALA 19 H ALA 19 -2.462 2.107 3.881
165 HA ALA 19 HA ALA 19 -5.111 1.504 4.577
166 HB1 ALA 19 1HB ALA 19 -4.105 3.641 2.702
167 HB2 ALA 19 2HB ALA 19 -4.270 3.797 4.451
168 HB3 ALA 19 3HB ALA 19 -5.703 3.587 3.445
169 H GLY 20 H GLY 20 -3.255 0.638 1.900
170 HA2 GLY 20 2HA GLY 20 -5.295 0.460 -0.049
171 HA3 GLY 20 1HA GLY 20 -3.731 -0.317 -0.133
172 H GLN 21 H GLN 21 -3.753 -1.916 2.027
173 HA GLN 21 HA GLN 21 -5.153 -4.174 1.179
174 HB2 GLN 21 2HB GLN 21 -3.162 -4.181 2.679
175 HB3 GLN 21 1HB GLN 21 -4.185 -3.603 3.986
176 HG2 GLN 21 2HG GLN 21 -5.510 -5.633 3.875
177 HG3 GLN 21 1HG GLN 21 -4.536 -6.210 2.523
178 HE21 GLN 21 1HE2 GLN 21 -4.988 -7.397 5.152
179 HE22 GLN 21 2HE2 GLN 21 -3.426 -7.593 5.863
180 H LEU 22 H LEU 22 -5.938 -1.793 3.666
181 HA LEU 22 HA LEU 22 -8.314 -3.051 4.563
182 HB2 LEU 22 2HB LEU 22 -7.412 -0.174 4.721
183 HB3 LEU 22 1HB LEU 22 -8.799 -0.825 5.564
184 HG LEU 22 HG LEU 22 -5.980 -1.807 5.989
185 HD11 LEU 22 1HD1 LEU 22 -6.013 -0.510 8.058
186 HD12 LEU 22 2HD1 LEU 22 -7.585 0.158 7.618
187 HD13 LEU 22 3HD1 LEU 22 -6.164 0.534 6.644
188 HD21 LEU 22 3HD2 LEU 22 -7.736 -3.415 6.556
189 HD22 LEU 22 1HD2 LEU 22 -8.514 -2.206 7.578
190 HD23 LEU 22 2HD2 LEU 22 -6.916 -2.820 8.000
191 H SER 23 H SER 23 -7.679 -0.441 2.242
192 HA SER 23 HA SER 23 -10.374 0.044 1.633
193 HB2 SER 23 2HB SER 23 -8.603 1.689 1.192
194 HB3 SER 23 1HB SER 23 -7.961 0.621 -0.048
195 HG SER 23 HG SER 23 -10.043 0.819 -1.094
196 H SER 24 H SER 24 -8.655 -2.617 1.094
197 HA SER 24 HA SER 24 -9.792 -3.261 -1.501
198 HB2 SER 24 2HB SER 24 -7.877 -4.783 0.270
199 HB3 SER 24 1HB SER 24 -8.459 -5.365 -1.288
200 HG SER 24 HG SER 24 -7.567 -3.358 -2.158
201 H GLN 25 H GLN 25 -10.074 -4.060 1.877
202 HA GLN 25 HA GLN 25 -11.769 -6.311 1.571
203 HB2 GLN 25 2HB GLN 25 -11.174 -4.460 3.872
204 HB3 GLN 25 1HB GLN 25 -12.349 -5.763 4.014
205 HG2 GLN 25 2HG GLN 25 -9.437 -6.082 3.318
206 HG3 GLN 25 1HG GLN 25 -10.170 -6.405 4.890
207 HE21 GLN 25 1HE2 GLN 25 -11.478 -8.215 5.149
208 HE22 GLN 25 2HE2 GLN 25 -11.477 -9.519 4.017
209 H LEU 26 H LEU 26 -12.273 -2.897 1.510
210 HA LEU 26 HA LEU 26 -15.129 -3.126 1.850
211 HB2 LEU 26 2HB LEU 26 -13.606 -0.646 1.118
212 HB3 LEU 26 1HB LEU 26 -15.190 -0.757 1.862
213 HG LEU 26 HG LEU 26 -12.684 -1.699 3.223
214 HD11 LEU 26 1HD1 LEU 26 -14.036 0.988 3.440
215 HD12 LEU 26 2HD1 LEU 26 -12.447 0.676 2.743
216 HD13 LEU 26 3HD1 LEU 26 -12.722 0.416 4.466
217 HD21 LEU 26 3HD2 LEU 26 -15.432 -1.008 4.254
218 HD22 LEU 26 1HD2 LEU 26 -14.056 -1.496 5.243
219 HD23 LEU 26 2HD2 LEU 26 -14.758 -2.629 4.088
220 H ALA 27 H ALA 27 -12.761 -2.612 -0.652
221 HA ALA 27 HA ALA 27 -14.256 -1.642 -2.730
222 HB1 ALA 27 1HB ALA 27 -12.136 -3.779 -2.917
223 HB2 ALA 27 2HB ALA 27 -11.845 -2.041 -2.858
224 HB3 ALA 27 3HB ALA 27 -12.690 -2.747 -4.235
225 H GLU 28 H GLU 28 -14.007 -4.998 -1.640
226 HA GLU 28 HA GLU 28 -15.618 -6.093 -3.615
227 HB2 GLU 28 2HB GLU 28 -15.582 -8.108 -2.387
228 HB3 GLU 28 1HB GLU 28 -13.999 -7.349 -2.218
229 HG2 GLU 28 2HG GLU 28 -14.493 -6.585 -0.070
230 HG3 GLU 28 1HG GLU 28 -16.194 -6.968 -0.268
231 H LEU 29 H LEU 29 -16.362 -4.647 -0.538
232 HA LEU 29 HA LEU 29 -19.198 -4.772 -1.223
233 HB2 LEU 29 2HB LEU 29 -17.934 -5.995 1.166
234 HB3 LEU 29 1HB LEU 29 -19.470 -5.178 1.393
235 HG LEU 29 HG LEU 29 -20.134 -6.684 -0.706
236 HD11 LEU 29 1HD1 LEU 29 -19.144 -8.918 -0.462
237 HD12 LEU 29 2HD1 LEU 29 -17.992 -8.265 0.702
238 HD13 LEU 29 3HD1 LEU 29 -17.966 -7.712 -0.972
239 HD21 LEU 29 3HD2 LEU 29 -20.047 -7.648 2.147
240 HD22 LEU 29 1HD2 LEU 29 -21.098 -8.269 0.874
241 HD23 LEU 29 2HD2 LEU 29 -21.282 -6.608 1.437
242 H SER 30 H SER 30 -18.503 -2.520 -1.728
243 HA SER 30 HA SER 30 -17.633 -0.662 0.080
244 HB2 SER 30 2HB SER 30 -17.865 -0.170 -2.298
245 HB3 SER 30 1HB SER 30 -19.622 -0.262 -2.163
246 HG SER 30 HG SER 30 -19.650 1.693 -1.391
247 H GLU 31 H GLU 31 -18.431 -0.556 2.106
248 HA GLU 31 HA GLU 31 -21.247 -0.781 2.656
249 HB2 GLU 31 2HB GLU 31 -18.913 -0.059 4.438
250 HB3 GLU 31 1HB GLU 31 -20.555 -0.311 5.006
251 HG2 GLU 31 2HG GLU 31 -18.768 -2.351 3.723
252 HG3 GLU 31 1HG GLU 31 -19.252 -2.265 5.415
253 H GLU 32 H GLU 32 -18.825 1.812 2.848
254 HA GLU 32 HA GLU 32 -21.037 3.759 2.810
255 HB2 GLU 32 2HB GLU 32 -19.625 5.281 4.117
256 HB3 GLU 32 1HB GLU 32 -19.922 3.780 4.983
257 HG2 GLU 32 2HG GLU 32 -17.712 2.970 4.360
258 HG3 GLU 32 1HG GLU 32 -17.415 4.458 3.462
259 H ALA 33 H ALA 33 -20.570 5.792 1.755
260 HA ALA 33 HA ALA 33 -18.215 6.090 0.153
261 HB1 ALA 33 1HB ALA 33 -19.286 5.961 -2.033
262 HB2 ALA 33 2HB ALA 33 -20.805 5.485 -1.272
263 HB3 ALA 33 3HB ALA 33 -19.402 4.419 -1.185
264 H LEU 34 H LEU 34 -17.914 8.174 -0.443
265 HA LEU 34 HA LEU 34 -18.189 10.430 -0.475
266 HB2 LEU 34 2HB LEU 34 -21.064 9.742 -1.090
267 HB3 LEU 34 1HB LEU 34 -20.281 11.283 -1.390
268 HG LEU 34 HG LEU 34 -19.534 8.679 -2.726
269 HD11 LEU 34 1HD1 LEU 34 -20.562 9.639 -4.723
270 HD12 LEU 34 2HD1 LEU 34 -21.083 11.039 -3.784
271 HD13 LEU 34 3HD1 LEU 34 -21.739 9.441 -3.424
272 HD21 LEU 34 3HD2 LEU 34 -18.628 11.509 -3.245
273 HD22 LEU 34 1HD2 LEU 34 -18.192 10.093 -4.201
274 HD23 LEU 34 2HD2 LEU 34 -17.658 10.224 -2.526