Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
603544 | 2nc3 RC | 26005 | cing | 1-original | 5 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 H1 LYS 1 H1 LYS 1 -11.196 -5.465 6.182
2 H2 LYS 1 H2 LYS 1 -11.341 -5.714 4.572
3 H3 LYS 1 H3 LYS 1 -11.303 -4.188 5.169
4 HA LYS 1 HA LYS 1 -9.060 -4.439 5.928
5 HB2 LYS 1 HB2 LYS 1 -9.118 -6.809 6.422
6 HB3 LYS 1 HB3 LYS 1 -9.256 -7.218 4.713
7 HG2 LYS 1 HG2 LYS 1 -6.980 -6.307 4.299
8 HG3 LYS 1 HG3 LYS 1 -6.856 -5.834 6.004
9 HD2 LYS 1 HD2 LYS 1 -7.012 -8.183 6.701
10 HD3 LYS 1 HD3 LYS 1 -7.292 -8.694 5.024
11 HE2 LYS 1 HE2 LYS 1 -5.057 -7.856 4.378
12 HE3 LYS 1 HE3 LYS 1 -4.760 -7.325 6.041
13 HZ1 LYS 1 HZ1 LYS 1 -4.890 -9.630 6.753
14 HZ2 LYS 1 HZ2 LYS 1 -5.265 -10.144 5.248
15 HZ3 LYS 1 HZ3 LYS 1 -3.784 -9.534 5.549
16 H LEU 2 H LEU 2 -9.249 -6.189 2.822
17 HA LEU 2 HA LEU 2 -8.651 -3.760 1.253
18 HB2 LEU 2 HB2 LEU 2 -6.776 -6.087 1.801
19 HB3 LEU 2 HB3 LEU 2 -6.684 -5.253 0.257
20 HG LEU 2 HG LEU 2 -6.392 -3.761 2.888
21 HD11 LEU 2 HD11 LEU 2 -4.213 -4.870 1.094
22 HD12 LEU 2 HD12 LEU 2 -3.985 -3.845 2.530
23 HD13 LEU 2 HD13 LEU 2 -4.645 -5.478 2.714
24 HD21 LEU 2 HD21 LEU 2 -5.578 -3.109 0.018
25 HD22 LEU 2 HD22 LEU 2 -6.922 -2.349 0.908
26 HD23 LEU 2 HD23 LEU 2 -5.256 -2.106 1.448
27 HA PRO 3 HA PRO 3 -10.847 -6.022 -1.904
28 HB2 PRO 3 HB2 PRO 3 -8.927 -5.276 -4.036
29 HB3 PRO 3 HB3 PRO 3 -10.642 -4.816 -3.846
30 HG2 PRO 3 HG2 PRO 3 -8.558 -3.062 -3.450
31 HG3 PRO 3 HG3 PRO 3 -10.110 -2.961 -2.545
32 HD2 PRO 3 HD2 PRO 3 -7.487 -4.162 -1.651
33 HD3 PRO 3 HD3 PRO 3 -8.628 -3.110 -0.757
34 HA PRO 4 HA PRO 4 -9.371 -10.022 -2.596
35 HB2 PRO 4 HB2 PRO 4 -9.732 -9.757 -5.590
36 HB3 PRO 4 HB3 PRO 4 -10.224 -11.100 -4.507
37 HG2 PRO 4 HG2 PRO 4 -12.050 -9.261 -5.259
38 HG3 PRO 4 HG3 PRO 4 -11.971 -9.764 -3.537
39 HD2 PRO 4 HD2 PRO 4 -10.820 -7.278 -4.829
40 HD3 PRO 4 HD3 PRO 4 -11.724 -7.444 -3.291
41 H GLY 5 H GLY 5 -7.412 -10.753 -2.325
42 HA2 GLY 5 HA2 GLY 5 -5.288 -11.510 -2.811
43 HA3 GLY 5 HA3 GLY 5 -5.328 -10.653 -4.362
44 H TRP 6 H TRP 6 -6.010 -8.087 -2.566
45 HA TRP 6 HA TRP 6 -3.245 -7.194 -2.476
46 HB2 TRP 6 HB2 TRP 6 -5.824 -5.851 -1.693
47 HB3 TRP 6 HB3 TRP 6 -4.235 -5.086 -1.578
48 HD1 TRP 6 HD1 TRP 6 -6.891 -6.111 -4.047
49 HE1 TRP 6 HE1 TRP 6 -6.410 -5.139 -6.374
50 HE3 TRP 6 HE3 TRP 6 -2.147 -4.381 -3.220
51 HZ2 TRP 6 HZ2 TRP 6 -4.169 -4.004 -7.760
52 HZ3 TRP 6 HZ3 TRP 6 -0.841 -3.362 -5.105
53 HH2 TRP 6 HH2 TRP 6 -1.838 -3.183 -7.357
54 H GLU 7 H GLU 7 -1.875 -6.891 -0.833
55 HA GLU 7 HA GLU 7 -2.816 -6.656 1.937
56 HB2 GLU 7 HB2 GLU 7 -2.459 -9.099 1.565
57 HB3 GLU 7 HB3 GLU 7 -0.756 -8.779 1.207
58 HG2 GLU 7 HG2 GLU 7 -0.309 -8.125 3.452
59 HG3 GLU 7 HG3 GLU 7 -2.010 -7.789 3.786
60 H LYS 8 H LYS 8 -1.158 -5.746 3.373
61 HA LYS 8 HA LYS 8 0.556 -3.798 2.124
62 HB2 LYS 8 HB2 LYS 8 0.221 -4.722 4.987
63 HB3 LYS 8 HB3 LYS 8 1.507 -3.598 4.519
64 HG2 LYS 8 HG2 LYS 8 -0.118 -2.040 3.553
65 HG3 LYS 8 HG3 LYS 8 -1.437 -3.157 3.917
66 HD2 LYS 8 HD2 LYS 8 -1.465 -1.439 5.582
67 HD3 LYS 8 HD3 LYS 8 -0.888 -2.917 6.370
68 HE2 LYS 8 HE2 LYS 8 1.468 -2.100 6.127
69 HE3 LYS 8 HE3 LYS 8 0.867 -0.646 5.319
70 HZ1 LYS 8 HZ1 LYS 8 -0.317 -0.073 7.367
71 HZ2 LYS 8 HZ2 LYS 8 0.225 -1.423 8.114
72 HZ3 LYS 8 HZ3 LYS 8 1.275 -0.251 7.682
73 H ARG 9 H ARG 9 2.647 -3.564 1.983
74 HA ARG 9 HA ARG 9 4.525 -5.857 2.267
75 HB2 ARG 9 HB2 ARG 9 3.214 -5.509 -0.082
76 HB3 ARG 9 HB3 ARG 9 4.415 -4.257 -0.302
77 HG2 ARG 9 HG2 ARG 9 5.179 -6.238 -1.391
78 HG3 ARG 9 HG3 ARG 9 6.208 -6.045 0.043
79 HD2 ARG 9 HD2 ARG 9 4.893 -7.773 1.226
80 HD3 ARG 9 HD3 ARG 9 3.747 -7.846 -0.121
81 HE ARG 9 HE ARG 9 5.323 -8.946 -1.486
82 HH11 ARG 9 HH11 ARG 9 7.957 -10.857 -0.423
83 HH12 ARG 9 HH12 ARG 9 6.873 -10.485 -1.736
84 HH21 ARG 9 HH21 ARG 9 6.659 -8.549 1.746
85 HH22 ARG 9 HH22 ARG 9 7.846 -9.796 1.482
86 H MET 10 H MET 10 6.840 -5.089 1.846
87 HA MET 10 HA MET 10 7.292 -2.221 2.286
88 HB2 MET 10 HB2 MET 10 6.707 -3.132 4.539
89 HB3 MET 10 HB3 MET 10 8.076 -4.253 4.405
90 HG2 MET 10 HG2 MET 10 9.566 -2.199 4.144
91 HG3 MET 10 HG3 MET 10 8.168 -1.216 4.558
92 HE1 MET 10 HE1 MET 10 7.159 -1.043 7.037
93 HE2 MET 10 HE2 MET 10 6.701 -2.758 6.876
94 HE3 MET 10 HE3 MET 10 7.560 -2.196 8.324
95 H PHE 11 H PHE 11 9.161 -1.532 1.581
96 HA PHE 11 HA PHE 11 11.078 -3.257 0.263
97 HB2 PHE 11 HB2 PHE 11 10.870 -0.275 0.673
98 HB3 PHE 11 HB3 PHE 11 12.246 -1.029 -0.139
99 HD1 PHE 11 HD1 PHE 11 11.729 -2.651 -2.124
100 HD2 PHE 11 HD2 PHE 11 8.987 0.354 -0.660
101 HE1 PHE 11 HE1 PHE 11 10.528 -2.678 -4.299
102 HE2 PHE 11 HE2 PHE 11 7.798 0.308 -2.831
103 HZ PHE 11 HZ PHE 11 8.564 -1.191 -4.656
104 H ALA 12 H ALA 12 13.401 -3.239 0.555
105 HA ALA 12 HA ALA 12 14.216 -3.888 3.193
106 HB1 ALA 12 HB1 ALA 12 15.881 -3.123 0.751
107 HB2 ALA 12 HB2 ALA 12 16.466 -3.997 2.184
108 HB3 ALA 12 HB3 ALA 12 15.258 -4.748 1.127
109 H ASN 13 H ASN 13 14.103 -0.762 1.649
110 HA ASN 13 HA ASN 13 15.833 0.592 3.596
111 HB2 ASN 13 HB2 ASN 13 15.224 2.622 2.335
112 HB3 ASN 13 HB3 ASN 13 15.812 1.323 1.286
113 HD21 ASN 13 HD21 ASN 13 14.813 2.444 -0.479
114 H GLY 14 H GLY 14 12.731 -0.615 3.931
115 HA2 GLY 14 HA2 GLY 14 11.339 -0.360 5.775
116 HA3 GLY 14 HA3 GLY 14 12.130 1.164 6.210
117 H THR 15 H THR 15 10.993 0.846 2.903
118 HA THR 15 HA THR 15 8.846 2.844 3.412
119 HB THR 15 HB THR 15 9.927 1.766 0.790
120 HG1 THR 15 HG1 THR 15 11.463 2.877 1.763
121 HG21 THR 15 HG21 THR 15 7.771 2.591 0.327
122 HG22 THR 15 HG22 THR 15 7.966 3.992 1.421
123 HG23 THR 15 HG23 THR 15 8.870 3.907 -0.103
124 H VAL 16 H VAL 16 6.711 2.378 3.370
125 HA VAL 16 HA VAL 16 5.864 -0.435 2.924
126 HB VAL 16 HB VAL 16 4.534 1.970 4.221
127 HG11 VAL 16 HG11 VAL 16 2.742 0.435 4.966
128 HG12 VAL 16 HG12 VAL 16 2.713 0.666 3.222
129 HG13 VAL 16 HG13 VAL 16 3.385 -0.837 3.902
130 HG21 VAL 16 HG21 VAL 16 5.470 -0.708 5.336
131 HG22 VAL 16 HG22 VAL 16 6.306 0.849 5.554
132 HG23 VAL 16 HG23 VAL 16 4.704 0.596 6.265
133 H TYR 17 H TYR 17 4.344 -1.064 1.511
134 HA TYR 17 HA TYR 17 2.810 0.765 -0.180
135 HB2 TYR 17 HB2 TYR 17 3.641 -0.045 -2.284
136 HB3 TYR 17 HB3 TYR 17 4.979 0.597 -1.388
137 HD1 TYR 17 HD1 TYR 17 6.578 -1.063 -0.181
138 HD2 TYR 17 HD2 TYR 17 3.742 -2.215 -3.227
139 HE1 TYR 17 HE1 TYR 17 7.951 -3.067 -0.712
140 HE2 TYR 17 HE2 TYR 17 5.115 -4.229 -3.738
141 HH TYR 17 HH TYR 17 8.237 -4.836 -2.114
142 H TYR 18 H TYR 18 1.725 -0.978 -1.929
143 HA TYR 18 HA TYR 18 0.635 -3.240 -0.304
144 HB2 TYR 18 HB2 TYR 18 -0.851 -1.412 -2.224
145 HB3 TYR 18 HB3 TYR 18 -1.525 -2.797 -1.350
146 HD1 TYR 18 HD1 TYR 18 -2.148 -2.636 0.999
147 HD2 TYR 18 HD2 TYR 18 -0.195 0.651 -1.002
148 HE1 TYR 18 HE1 TYR 18 -2.664 -1.139 2.930
149 HE2 TYR 18 HE2 TYR 18 -0.652 2.121 0.942
150 HH TYR 18 HH TYR 18 -1.576 2.264 3.028
151 H PHE 19 H PHE 19 0.299 -5.154 -1.315
152 HA PHE 19 HA PHE 19 1.142 -5.461 -4.165
153 HB2 PHE 19 HB2 PHE 19 3.083 -5.846 -2.775
154 HB3 PHE 19 HB3 PHE 19 2.168 -6.973 -1.755
155 HD1 PHE 19 HD1 PHE 19 3.246 -6.389 -5.267
156 HD2 PHE 19 HD2 PHE 19 2.126 -9.332 -2.320
157 HE1 PHE 19 HE1 PHE 19 3.795 -8.170 -6.862
158 HE2 PHE 19 HE2 PHE 19 2.754 -11.139 -3.900
159 HZ PHE 19 HZ PHE 19 3.584 -10.579 -6.179
160 H ASN 20 H ASN 20 0.015 -6.882 -5.364
161 HA ASN 20 HA ASN 20 -2.187 -8.367 -4.037
162 HB2 ASN 20 HB2 ASN 20 -2.606 -6.784 -5.964
163 HB3 ASN 20 HB3 ASN 20 -1.771 -7.947 -7.007
164 HD21 ASN 20 HD21 ASN 20 -4.776 -7.010 -6.136
165 HD22 ASN 20 HD22 ASN 20 -5.620 -8.549 -6.159
166 H HIS 21 H HIS 21 -1.786 -10.423 -3.472
167 HA HIS 21 HA HIS 21 0.513 -11.860 -4.499
168 HB2 HIS 21 HB2 HIS 21 0.154 -13.347 -2.817
169 HB3 HIS 21 HB3 HIS 21 -0.603 -11.911 -2.135
170 HD2 HIS 21 HD2 HIS 21 -3.169 -12.118 -1.481
171 HE1 HIS 21 HE1 HIS 21 -3.827 -16.115 -2.804
172 HE2 HIS 21 HE2 HIS 21 -4.813 -14.174 -1.486
173 H ILE 22 H ILE 22 -2.810 -11.749 -5.526
174 HA ILE 22 HA ILE 22 -2.786 -14.335 -6.922
175 HB ILE 22 HB ILE 22 -4.812 -12.055 -6.909
176 HG12 ILE 22 HG12 ILE 22 -4.748 -14.635 -5.266
177 HG13 ILE 22 HG13 ILE 22 -4.448 -13.004 -4.640
178 HG21 ILE 22 HG21 ILE 22 -6.411 -13.728 -7.763
179 HG22 ILE 22 HG22 ILE 22 -5.072 -13.520 -8.874
180 HG23 ILE 22 HG23 ILE 22 -5.116 -14.947 -7.814
181 HD11 ILE 22 HD11 ILE 22 -6.795 -12.375 -5.324
182 HD12 ILE 22 HD12 ILE 22 -7.089 -14.109 -5.610
183 HD13 ILE 22 HD13 ILE 22 -6.634 -13.540 -3.994
184 H THR 23 H THR 23 -2.635 -10.884 -7.716
185 HA THR 23 HA THR 23 -2.302 -11.488 -10.599
186 HB THR 23 HB THR 23 -3.263 -9.453 -11.133
187 HG1 THR 23 HG1 THR 23 -3.858 -8.172 -9.087
188 HG21 THR 23 HG21 THR 23 -4.928 -11.085 -10.162
189 HG22 THR 23 HG22 THR 23 -4.807 -10.220 -8.614
190 HG23 THR 23 HG23 THR 23 -5.410 -9.385 -10.058
191 H ASN 24 H ASN 24 -0.287 -10.619 -8.106
192 HA ASN 24 HA ASN 24 1.782 -9.865 -7.901
193 HB2 ASN 24 HB2 ASN 24 1.931 -11.538 -9.973
194 HB3 ASN 24 HB3 ASN 24 2.408 -10.065 -10.835
195 HD21 ASN 24 HD21 ASN 24 4.184 -8.769 -9.532
196 HD22 ASN 24 HD22 ASN 24 5.500 -9.791 -8.921
197 H ALA 25 H ALA 25 -0.458 -7.933 -8.829
198 HA ALA 25 HA ALA 25 0.963 -5.636 -9.903
199 HB1 ALA 25 HB1 ALA 25 -1.134 -4.460 -9.401
200 HB2 ALA 25 HB2 ALA 25 -1.463 -5.997 -10.221
201 HB3 ALA 25 HB3 ALA 25 -1.717 -5.855 -8.467
202 H SER 26 H SER 26 1.441 -3.670 -8.772
203 HA SER 26 HA SER 26 1.616 -3.745 -5.817
204 HB2 SER 26 HB2 SER 26 3.957 -2.967 -5.857
205 HB3 SER 26 HB3 SER 26 3.762 -4.613 -6.464
206 HG SER 26 HG SER 26 3.942 -2.299 -8.112
207 H GLN 27 H GLN 27 1.357 -1.717 -4.843
208 HA GLN 27 HA GLN 27 1.653 0.739 -6.417
209 HB2 GLN 27 HB2 GLN 27 -0.594 1.435 -6.428
210 HB3 GLN 27 HB3 GLN 27 -0.594 -0.213 -7.063
211 HG2 GLN 27 HG2 GLN 27 -1.464 -1.075 -4.941
212 HG3 GLN 27 HG3 GLN 27 -1.366 0.523 -4.218
213 HE21 GLN 27 HE21 GLN 27 -3.337 1.484 -4.101
214 HE22 GLN 27 HE22 GLN 27 -4.582 1.388 -5.361
215 H PHE 28 H PHE 28 1.501 2.691 -5.184
216 HA PHE 28 HA PHE 28 2.332 2.278 -2.410
217 HB2 PHE 28 HB2 PHE 28 2.478 4.642 -4.263
218 HB3 PHE 28 HB3 PHE 28 2.873 4.747 -2.545
219 HD1 PHE 28 HD1 PHE 28 4.775 3.464 -1.560
220 HD2 PHE 28 HD2 PHE 28 4.022 3.554 -5.808
221 HE1 PHE 28 HE1 PHE 28 7.090 2.673 -1.994
222 HE2 PHE 28 HE2 PHE 28 6.334 2.753 -6.235
223 HZ PHE 28 HZ PHE 28 7.872 2.317 -4.332
224 H GLU 29 H GLU 29 -0.458 3.827 -3.882
225 HA GLU 29 HA GLU 29 -1.464 4.826 -1.286
226 HB2 GLU 29 HB2 GLU 29 -1.743 6.143 -3.333
227 HB3 GLU 29 HB3 GLU 29 -2.665 4.830 -4.084
228 HG2 GLU 29 HG2 GLU 29 -4.455 5.082 -2.440
229 HG3 GLU 29 HG3 GLU 29 -3.501 6.260 -1.529
230 H ARG 30 H ARG 30 -3.405 4.002 -0.255
231 HA ARG 30 HA ARG 30 -3.499 1.192 -0.137
232 HB2 ARG 30 HB2 ARG 30 -4.242 2.844 1.644
233 HB3 ARG 30 HB3 ARG 30 -5.757 2.993 0.753
234 HG2 ARG 30 HG2 ARG 30 -5.512 0.227 0.941
235 HG3 ARG 30 HG3 ARG 30 -4.675 0.746 2.410
236 HD2 ARG 30 HD2 ARG 30 -6.943 0.340 2.989
237 HD3 ARG 30 HD3 ARG 30 -6.730 2.103 2.982
238 HE ARG 30 HE ARG 30 -7.672 0.961 0.431
239 HH11 ARG 30 HH11 ARG 30 -8.852 2.041 3.556
240 HH12 ARG 30 HH12 ARG 30 -10.422 2.456 2.918
241 HH21 ARG 30 HH21 ARG 30 -9.636 1.694 -0.337
242 HH22 ARG 30 HH22 ARG 30 -10.859 2.218 0.788
243 HA PRO 31 HA PRO 31 -6.018 0.203 -3.758
244 HB2 PRO 31 HB2 PRO 31 -6.304 -2.382 -2.237
245 HB3 PRO 31 HB3 PRO 31 -5.960 -2.138 -3.978
246 HG2 PRO 31 HG2 PRO 31 -3.968 -2.765 -2.250
247 HG3 PRO 31 HG3 PRO 31 -3.700 -1.503 -3.498
248 HD2 PRO 31 HD2 PRO 31 -4.358 -1.165 -0.566
249 HD3 PRO 31 HD3 PRO 31 -3.193 -0.275 -1.579
250 H SER 32 H SER 32 -8.214 -0.229 -4.291
251 HA SER 32 HA SER 32 -10.258 -0.210 -2.141
252 HB2 SER 32 HB2 SER 32 -10.005 1.995 -4.230
253 HB3 SER 32 HB3 SER 32 -11.354 1.781 -3.103
254 HG SER 32 HG SER 32 -8.665 2.452 -2.534
255 H GLY 33 H GLY 33 -12.380 -0.666 -2.857
256 HA2 GLY 33 HA2 GLY 33 -13.120 -1.261 -5.587
257 HA3 GLY 33 HA3 GLY 33 -12.694 -2.734 -4.714
258 H1' ALL 101 H1 ALL 34 11.884 1.913 -0.671
259 H2' ALL 101 H2 ALL 34 13.552 4.062 -2.092
260 H3' ALL 101 H3 ALL 34 11.449 4.717 -3.196
261 H4' ALL 101 H4 ALL 34 12.854 3.100 -4.378
262 H5' ALL 101 H5 ALL 34 11.303 0.900 -2.946
263 H6'1 ALL 101 H62 ALL 34 12.222 0.393 -5.308
264 H6'2 ALL 101 H61 ALL 34 12.762 -0.671 -3.994
265 HO'2 ALL 101 H2O ALL 34 11.489 4.278 -0.108
266 HO'3 ALL 101 H3O ALL 34 9.685 3.121 -2.979
267 HO'4 ALL 101 H4O ALL 34 10.878 3.479 -5.380
268 HO'6 ALL 101 H6O ALL 34 14.591 0.802 -3.773
Start of MODEL 2
1 H1 LYS 1 H1 LYS 1 -11.078 -4.524 4.874
2 H2 LYS 1 H2 LYS 1 -10.747 -5.516 6.127
3 H3 LYS 1 H3 LYS 1 -10.474 -6.023 4.598
4 HA LYS 1 HA LYS 1 -9.082 -3.824 5.981
5 HB2 LYS 1 HB2 LYS 1 -8.478 -6.121 6.795
6 HB3 LYS 1 HB3 LYS 1 -7.911 -6.514 5.171
7 HG2 LYS 1 HG2 LYS 1 -6.301 -4.519 5.373
8 HG3 LYS 1 HG3 LYS 1 -6.859 -4.338 7.036
9 HD2 LYS 1 HD2 LYS 1 -4.817 -5.536 7.141
10 HD3 LYS 1 HD3 LYS 1 -6.083 -6.733 7.458
11 HE2 LYS 1 HE2 LYS 1 -5.944 -7.483 5.076
12 HE3 LYS 1 HE3 LYS 1 -4.724 -6.240 4.763
13 HZ1 LYS 1 HZ1 LYS 1 -3.301 -7.366 6.421
14 HZ2 LYS 1 HZ2 LYS 1 -4.409 -8.561 6.582
15 HZ3 LYS 1 HZ3 LYS 1 -3.646 -8.327 5.148
16 H LEU 2 H LEU 2 -8.569 -5.946 3.112
17 HA LEU 2 HA LEU 2 -8.078 -3.564 1.405
18 HB2 LEU 2 HB2 LEU 2 -6.302 -6.000 1.844
19 HB3 LEU 2 HB3 LEU 2 -6.164 -4.997 0.398
20 HG LEU 2 HG LEU 2 -5.803 -3.877 3.197
21 HD11 LEU 2 HD11 LEU 2 -3.399 -3.972 2.754
22 HD12 LEU 2 HD12 LEU 2 -4.100 -5.598 2.716
23 HD13 LEU 2 HD13 LEU 2 -3.696 -4.774 1.194
24 HD21 LEU 2 HD21 LEU 2 -4.998 -2.817 0.454
25 HD22 LEU 2 HD22 LEU 2 -6.357 -2.211 1.429
26 HD23 LEU 2 HD23 LEU 2 -4.702 -2.027 2.017
27 HA PRO 3 HA PRO 3 -10.544 -5.731 -1.550
28 HB2 PRO 3 HB2 PRO 3 -8.753 -5.129 -3.832
29 HB3 PRO 3 HB3 PRO 3 -10.413 -4.558 -3.512
30 HG2 PRO 3 HG2 PRO 3 -8.187 -2.948 -3.300
31 HG3 PRO 3 HG3 PRO 3 -9.661 -2.725 -2.291
32 HD2 PRO 3 HD2 PRO 3 -7.062 -4.063 -1.574
33 HD3 PRO 3 HD3 PRO 3 -8.083 -2.955 -0.606
34 HA PRO 4 HA PRO 4 -9.391 -9.831 -2.369
35 HB2 PRO 4 HB2 PRO 4 -9.910 -9.506 -5.333
36 HB3 PRO 4 HB3 PRO 4 -10.426 -10.826 -4.234
37 HG2 PRO 4 HG2 PRO 4 -12.169 -8.864 -4.864
38 HG3 PRO 4 HG3 PRO 4 -12.021 -9.389 -3.152
39 HD2 PRO 4 HD2 PRO 4 -10.782 -6.973 -4.495
40 HD3 PRO 4 HD3 PRO 4 -11.609 -7.089 -2.909
41 H GLY 5 H GLY 5 -7.468 -10.698 -2.234
42 HA2 GLY 5 HA2 GLY 5 -5.390 -11.518 -2.818
43 HA3 GLY 5 HA3 GLY 5 -5.465 -10.639 -4.355
44 H TRP 6 H TRP 6 -6.004 -8.101 -2.440
45 HA TRP 6 HA TRP 6 -3.211 -7.276 -2.474
46 HB2 TRP 6 HB2 TRP 6 -5.728 -5.893 -1.580
47 HB3 TRP 6 HB3 TRP 6 -4.121 -5.162 -1.495
48 HD1 TRP 6 HD1 TRP 6 -6.828 -6.147 -3.948
49 HE1 TRP 6 HE1 TRP 6 -6.387 -5.114 -6.255
50 HE3 TRP 6 HE3 TRP 6 -2.114 -4.346 -3.120
51 HZ2 TRP 6 HZ2 TRP 6 -4.171 -3.930 -7.638
52 HZ3 TRP 6 HZ3 TRP 6 -0.871 -3.208 -4.956
53 HH2 TRP 6 HH2 TRP 6 -1.864 -3.036 -7.223
54 H GLU 7 H GLU 7 -1.780 -7.067 -0.918
55 HA GLU 7 HA GLU 7 -2.518 -7.127 1.955
56 HB2 GLU 7 HB2 GLU 7 -0.428 -8.884 0.605
57 HB3 GLU 7 HB3 GLU 7 -0.493 -8.614 2.338
58 HG2 GLU 7 HG2 GLU 7 -2.680 -9.945 0.685
59 HG3 GLU 7 HG3 GLU 7 -1.474 -10.765 1.661
60 H LYS 8 H LYS 8 -0.856 -6.212 3.346
61 HA LYS 8 HA LYS 8 0.695 -4.052 2.123
62 HB2 LYS 8 HB2 LYS 8 0.398 -5.041 4.966
63 HB3 LYS 8 HB3 LYS 8 1.668 -3.891 4.517
64 HG2 LYS 8 HG2 LYS 8 0.014 -2.327 3.597
65 HG3 LYS 8 HG3 LYS 8 -1.283 -3.472 3.940
66 HD2 LYS 8 HD2 LYS 8 -1.322 -1.807 5.662
67 HD3 LYS 8 HD3 LYS 8 -0.715 -3.299 6.396
68 HE2 LYS 8 HE2 LYS 8 1.631 -2.430 6.136
69 HE3 LYS 8 HE3 LYS 8 0.982 -0.953 5.416
70 HZ1 LYS 8 HZ1 LYS 8 0.421 -1.887 8.180
71 HZ2 LYS 8 HZ2 LYS 8 1.433 -0.670 7.786
72 HZ3 LYS 8 HZ3 LYS 8 -0.169 -0.514 7.518
73 H ARG 9 H ARG 9 2.785 -3.776 1.943
74 HA ARG 9 HA ARG 9 4.729 -5.999 2.283
75 HB2 ARG 9 HB2 ARG 9 3.486 -6.004 -0.024
76 HB3 ARG 9 HB3 ARG 9 4.351 -4.514 -0.356
77 HG2 ARG 9 HG2 ARG 9 5.478 -6.330 -1.415
78 HG3 ARG 9 HG3 ARG 9 6.521 -5.790 -0.085
79 HD2 ARG 9 HD2 ARG 9 5.714 -7.700 1.298
80 HD3 ARG 9 HD3 ARG 9 4.628 -8.182 -0.017
81 HE ARG 9 HE ARG 9 6.486 -8.816 -1.371
82 HH11 ARG 9 HH11 ARG 9 8.396 -9.887 -1.552
83 HH12 ARG 9 HH12 ARG 9 9.475 -9.988 -0.189
84 HH21 ARG 9 HH21 ARG 9 7.521 -8.140 1.926
85 HH22 ARG 9 HH22 ARG 9 9.007 -9.022 1.709
86 H MET 10 H MET 10 7.028 -5.170 1.924
87 HA MET 10 HA MET 10 7.352 -2.282 1.997
88 HB2 MET 10 HB2 MET 10 8.410 -2.106 4.161
89 HB3 MET 10 HB3 MET 10 6.737 -2.661 4.324
90 HG2 MET 10 HG2 MET 10 7.523 -4.978 4.638
91 HG3 MET 10 HG3 MET 10 9.198 -4.447 4.485
92 HE1 MET 10 HE1 MET 10 9.352 -1.720 6.205
93 HE2 MET 10 HE2 MET 10 9.872 -2.442 7.739
94 HE3 MET 10 HE3 MET 10 10.523 -3.060 6.205
95 H PHE 11 H PHE 11 9.248 -1.513 1.526
96 HA PHE 11 HA PHE 11 11.308 -3.197 0.372
97 HB2 PHE 11 HB2 PHE 11 11.009 -0.212 0.753
98 HB3 PHE 11 HB3 PHE 11 12.414 -0.956 -0.019
99 HD1 PHE 11 HD1 PHE 11 9.097 0.329 -0.592
100 HD2 PHE 11 HD2 PHE 11 12.002 -2.526 -2.044
101 HE1 PHE 11 HE1 PHE 11 7.945 0.253 -2.780
102 HE2 PHE 11 HE2 PHE 11 10.842 -2.578 -4.241
103 HZ PHE 11 HZ PHE 11 8.815 -1.182 -4.612
104 H ALA 12 H ALA 12 13.572 -3.155 0.878
105 HA ALA 12 HA ALA 12 14.167 -3.678 3.604
106 HB1 ALA 12 HB1 ALA 12 16.486 -3.859 2.780
107 HB2 ALA 12 HB2 ALA 12 15.354 -4.656 1.674
108 HB3 ALA 12 HB3 ALA 12 16.024 -3.059 1.263
109 H ASN 13 H ASN 13 14.186 -0.633 1.906
110 HA ASN 13 HA ASN 13 15.819 0.809 3.860
111 HB2 ASN 13 HB2 ASN 13 15.230 2.786 2.518
112 HB3 ASN 13 HB3 ASN 13 15.841 1.457 1.522
113 HD21 ASN 13 HD21 ASN 13 14.874 2.565 -0.279
114 H GLY 14 H GLY 14 12.716 -0.412 4.150
115 HA2 GLY 14 HA2 GLY 14 11.312 -0.116 5.993
116 HA3 GLY 14 HA3 GLY 14 12.047 1.456 6.350
117 H THR 15 H THR 15 10.999 0.950 3.047
118 HA THR 15 HA THR 15 8.758 2.871 3.429
119 HB THR 15 HB THR 15 9.939 1.771 0.863
120 HG1 THR 15 HG1 THR 15 11.428 2.934 1.850
121 HG21 THR 15 HG21 THR 15 8.850 3.874 -0.088
122 HG22 THR 15 HG22 THR 15 7.776 2.536 0.335
123 HG23 THR 15 HG23 THR 15 7.908 3.956 1.413
124 H VAL 16 H VAL 16 6.668 2.292 3.430
125 HA VAL 16 HA VAL 16 5.922 -0.542 2.938
126 HB VAL 16 HB VAL 16 4.458 1.777 4.249
127 HG11 VAL 16 HG11 VAL 16 2.799 0.111 5.015
128 HG12 VAL 16 HG12 VAL 16 2.750 0.316 3.269
129 HG13 VAL 16 HG13 VAL 16 3.544 -1.118 3.966
130 HG21 VAL 16 HG21 VAL 16 4.728 0.449 6.311
131 HG22 VAL 16 HG22 VAL 16 5.615 -0.794 5.413
132 HG23 VAL 16 HG23 VAL 16 6.307 0.833 5.610
133 H TYR 17 H TYR 17 4.413 -1.197 1.507
134 HA TYR 17 HA TYR 17 2.842 0.632 -0.156
135 HB2 TYR 17 HB2 TYR 17 3.690 -0.139 -2.266
136 HB3 TYR 17 HB3 TYR 17 5.012 0.517 -1.355
137 HD1 TYR 17 HD1 TYR 17 6.645 -1.132 -0.176
138 HD2 TYR 17 HD2 TYR 17 3.835 -2.292 -3.242
139 HE1 TYR 17 HE1 TYR 17 8.070 -3.093 -0.759
140 HE2 TYR 17 HE2 TYR 17 5.253 -4.249 -3.805
141 HH TYR 17 HH TYR 17 7.245 -5.307 -3.429
142 H TYR 18 H TYR 18 1.730 -1.045 -1.900
143 HA TYR 18 HA TYR 18 0.681 -3.367 -0.326
144 HB2 TYR 18 HB2 TYR 18 -0.825 -1.594 -2.279
145 HB3 TYR 18 HB3 TYR 18 -1.478 -2.946 -1.342
146 HD1 TYR 18 HD1 TYR 18 -1.876 -2.740 1.095
147 HD2 TYR 18 HD2 TYR 18 -0.386 0.566 -1.238
148 HE1 TYR 18 HE1 TYR 18 -2.420 -1.176 2.958
149 HE2 TYR 18 HE2 TYR 18 -0.897 2.123 0.626
150 HH TYR 18 HH TYR 18 -2.386 0.987 3.683
151 H PHE 19 H PHE 19 0.351 -5.258 -1.398
152 HA PHE 19 HA PHE 19 1.143 -5.496 -4.265
153 HB2 PHE 19 HB2 PHE 19 3.144 -5.893 -2.949
154 HB3 PHE 19 HB3 PHE 19 2.281 -7.068 -1.939
155 HD1 PHE 19 HD1 PHE 19 3.257 -6.342 -5.458
156 HD2 PHE 19 HD2 PHE 19 2.193 -9.402 -2.609
157 HE1 PHE 19 HE1 PHE 19 3.760 -8.062 -7.139
158 HE2 PHE 19 HE2 PHE 19 2.766 -11.143 -4.282
159 HZ PHE 19 HZ PHE 19 3.547 -10.491 -6.552
160 H ASN 20 H ASN 20 -0.034 -6.895 -5.447
161 HA ASN 20 HA ASN 20 -2.191 -8.390 -4.068
162 HB2 ASN 20 HB2 ASN 20 -2.648 -6.783 -5.963
163 HB3 ASN 20 HB3 ASN 20 -1.850 -7.938 -7.044
164 HD21 ASN 20 HD21 ASN 20 -4.815 -6.982 -6.117
165 HD22 ASN 20 HD22 ASN 20 -5.683 -8.506 -6.156
166 H HIS 21 H HIS 21 -1.798 -10.452 -3.534
167 HA HIS 21 HA HIS 21 0.467 -11.899 -4.625
168 HB2 HIS 21 HB2 HIS 21 0.142 -13.392 -2.940
169 HB3 HIS 21 HB3 HIS 21 -0.576 -11.948 -2.231
170 HD2 HIS 21 HD2 HIS 21 -3.129 -12.121 -1.506
171 HE1 HIS 21 HE1 HIS 21 -3.866 -16.114 -2.798
172 HE2 HIS 21 HE2 HIS 21 -4.793 -14.159 -1.458
173 H ILE 22 H ILE 22 -2.874 -11.747 -5.572
174 HA ILE 22 HA ILE 22 -2.905 -14.334 -6.974
175 HB ILE 22 HB ILE 22 -4.927 -12.051 -6.878
176 HG12 ILE 22 HG12 ILE 22 -4.786 -14.636 -5.248
177 HG13 ILE 22 HG13 ILE 22 -4.497 -13.000 -4.630
178 HG21 ILE 22 HG21 ILE 22 -5.252 -13.506 -8.843
179 HG22 ILE 22 HG22 ILE 22 -5.261 -14.939 -7.789
180 HG23 ILE 22 HG23 ILE 22 -6.553 -13.719 -7.690
181 HD11 ILE 22 HD11 ILE 22 -6.650 -13.580 -3.916
182 HD12 ILE 22 HD12 ILE 22 -6.877 -12.416 -5.238
183 HD13 ILE 22 HD13 ILE 22 -7.145 -14.156 -5.518
184 H THR 23 H THR 23 -2.773 -10.878 -7.752
185 HA THR 23 HA THR 23 -2.540 -11.466 -10.649
186 HB THR 23 HB THR 23 -3.504 -9.418 -11.136
187 HG1 THR 23 HG1 THR 23 -4.028 -8.158 -9.054
188 HG21 THR 23 HG21 THR 23 -5.617 -9.351 -9.991
189 HG22 THR 23 HG22 THR 23 -5.148 -11.052 -10.133
190 HG23 THR 23 HG23 THR 23 -4.973 -10.207 -8.578
191 H ASN 24 H ASN 24 -0.439 -10.613 -8.219
192 HA ASN 24 HA ASN 24 1.620 -9.826 -8.069
193 HB2 ASN 24 HB2 ASN 24 1.847 -10.391 -11.042
194 HB3 ASN 24 HB3 ASN 24 3.196 -10.084 -9.939
195 HD21 ASN 24 HD21 ASN 24 1.533 -12.560 -11.403
196 HD22 ASN 24 HD22 ASN 24 1.943 -13.829 -10.244
197 H ALA 25 H ALA 25 -0.645 -7.910 -8.993
198 HA ALA 25 HA ALA 25 0.756 -5.592 -10.021
199 HB1 ALA 25 HB1 ALA 25 -1.681 -5.949 -10.283
200 HB2 ALA 25 HB2 ALA 25 -1.888 -5.840 -8.520
201 HB3 ALA 25 HB3 ALA 25 -1.332 -4.427 -9.441
202 H SER 26 H SER 26 1.228 -3.634 -8.861
203 HA SER 26 HA SER 26 1.417 -3.771 -5.913
204 HB2 SER 26 HB2 SER 26 3.675 -2.854 -5.896
205 HB3 SER 26 HB3 SER 26 3.618 -4.456 -6.638
206 HG SER 26 HG SER 26 4.893 -3.014 -7.855
207 H GLN 27 H GLN 27 1.402 -1.745 -4.848
208 HA GLN 27 HA GLN 27 0.947 0.722 -6.416
209 HB2 GLN 27 HB2 GLN 27 -1.240 -0.701 -6.212
210 HB3 GLN 27 HB3 GLN 27 -1.173 -0.303 -4.499
211 HG2 GLN 27 HG2 GLN 27 -2.654 1.236 -5.514
212 HG3 GLN 27 HG3 GLN 27 -1.196 2.146 -5.142
213 HE21 GLN 27 HE21 GLN 27 -0.940 3.682 -6.804
214 HE22 GLN 27 HE22 GLN 27 -1.145 3.283 -8.517
215 H PHE 28 H PHE 28 1.329 2.579 -5.212
216 HA PHE 28 HA PHE 28 2.376 2.240 -2.464
217 HB2 PHE 28 HB2 PHE 28 2.556 4.511 -4.429
218 HB3 PHE 28 HB3 PHE 28 2.960 4.696 -2.719
219 HD1 PHE 28 HD1 PHE 28 4.857 3.470 -1.682
220 HD2 PHE 28 HD2 PHE 28 4.059 3.278 -5.918
221 HE1 PHE 28 HE1 PHE 28 7.162 2.635 -2.083
222 HE2 PHE 28 HE2 PHE 28 6.362 2.433 -6.312
223 HZ PHE 28 HZ PHE 28 7.919 2.122 -4.400
224 H GLU 29 H GLU 29 -0.245 3.974 -4.029
225 HA GLU 29 HA GLU 29 -1.463 4.953 -1.572
226 HB2 GLU 29 HB2 GLU 29 -2.731 4.531 -4.320
227 HB3 GLU 29 HB3 GLU 29 -3.316 5.529 -3.001
228 HG2 GLU 29 HG2 GLU 29 -2.421 7.103 -4.407
229 HG3 GLU 29 HG3 GLU 29 -1.131 6.887 -3.231
230 H ARG 30 H ARG 30 -3.550 4.205 -0.759
231 HA ARG 30 HA ARG 30 -3.767 1.404 -0.311
232 HB2 ARG 30 HB2 ARG 30 -4.735 3.493 0.956
233 HB3 ARG 30 HB3 ARG 30 -6.126 3.313 -0.094
234 HG2 ARG 30 HG2 ARG 30 -4.991 1.251 1.846
235 HG3 ARG 30 HG3 ARG 30 -6.396 2.283 2.127
236 HD2 ARG 30 HD2 ARG 30 -6.177 -0.030 0.173
237 HD3 ARG 30 HD3 ARG 30 -7.110 0.024 1.653
238 HE ARG 30 HE ARG 30 -7.896 0.947 -0.954
239 HH11 ARG 30 HH11 ARG 30 -8.488 1.632 2.442
240 HH12 ARG 30 HH12 ARG 30 -10.087 2.252 2.123
241 HH21 ARG 30 HH21 ARG 30 -9.974 1.726 -1.267
242 HH22 ARG 30 HH22 ARG 30 -10.878 2.312 0.099
243 HA PRO 31 HA PRO 31 -5.259 0.493 -4.455
244 HB2 PRO 31 HB2 PRO 31 -5.948 -2.179 -4.155
245 HB3 PRO 31 HB3 PRO 31 -4.279 -1.565 -4.361
246 HG2 PRO 31 HG2 PRO 31 -5.722 -2.187 -1.764
247 HG3 PRO 31 HG3 PRO 31 -4.084 -2.723 -2.267
248 HD2 PRO 31 HD2 PRO 31 -4.333 -0.619 -0.660
249 HD3 PRO 31 HD3 PRO 31 -3.210 -0.515 -2.041
250 H SER 32 H SER 32 -7.188 0.393 -5.577
251 HA SER 32 HA SER 32 -9.321 1.097 -5.910
252 HB2 SER 32 HB2 SER 32 -9.936 -1.066 -3.876
253 HB3 SER 32 HB3 SER 32 -11.128 -0.267 -4.915
254 HG SER 32 HG SER 32 -10.399 -2.196 -5.856
255 H GLY 33 H GLY 33 -8.271 3.051 -4.707
256 HA2 GLY 33 HA2 GLY 33 -10.328 4.395 -3.217
257 HA3 GLY 33 HA3 GLY 33 -9.014 3.917 -2.137
258 H1' ALL 101 H1 ALL 34 11.966 1.966 -0.549
259 H2' ALL 101 H2 ALL 34 13.609 4.169 -1.917
260 H3' ALL 101 H3 ALL 34 11.516 4.766 -3.076
261 H4' ALL 101 H4 ALL 34 13.010 3.205 -4.222
262 H5' ALL 101 H5 ALL 34 11.488 0.944 -2.856
263 H6'1 ALL 101 H62 ALL 34 12.502 0.487 -5.188
264 H6'2 ALL 101 H61 ALL 34 13.038 -0.567 -3.864
265 HO'2 ALL 101 H2O ALL 34 11.488 4.321 0.011
266 HO'3 ALL 101 H3O ALL 34 9.803 3.102 -2.919
267 HO'4 ALL 101 H4O ALL 34 11.047 3.528 -5.277
268 HO'6 ALL 101 H6O ALL 34 14.806 0.965 -3.575
Start of MODEL 3
1 H1 LYS 1 H1 LYS 1 -10.663 -5.801 4.809
2 H2 LYS 1 H2 LYS 1 -11.318 -4.305 4.952
3 H3 LYS 1 H3 LYS 1 -10.841 -5.120 6.284
4 HA LYS 1 HA LYS 1 -9.278 -3.392 5.793
5 HB2 LYS 1 HB2 LYS 1 -8.495 -5.532 6.845
6 HB3 LYS 1 HB3 LYS 1 -8.061 -6.129 5.245
7 HG2 LYS 1 HG2 LYS 1 -6.562 -4.006 5.057
8 HG3 LYS 1 HG3 LYS 1 -6.868 -3.788 6.782
9 HD2 LYS 1 HD2 LYS 1 -5.925 -6.085 7.187
10 HD3 LYS 1 HD3 LYS 1 -5.586 -6.221 5.446
11 HE2 LYS 1 HE2 LYS 1 -4.173 -4.141 5.614
12 HE3 LYS 1 HE3 LYS 1 -4.449 -4.137 7.364
13 HZ1 LYS 1 HZ1 LYS 1 -2.376 -5.233 6.905
14 HZ2 LYS 1 HZ2 LYS 1 -3.412 -6.401 7.381
15 HZ3 LYS 1 HZ3 LYS 1 -3.029 -6.228 5.793
16 H LEU 2 H LEU 2 -8.720 -5.843 3.213
17 HA LEU 2 HA LEU 2 -8.466 -3.670 1.198
18 HB2 LEU 2 HB2 LEU 2 -6.532 -5.917 1.868
19 HB3 LEU 2 HB3 LEU 2 -6.481 -5.079 0.321
20 HG LEU 2 HG LEU 2 -6.234 -3.537 2.922
21 HD11 LEU 2 HD11 LEU 2 -4.012 -4.715 1.219
22 HD12 LEU 2 HD12 LEU 2 -3.803 -3.608 2.595
23 HD13 LEU 2 HD13 LEU 2 -4.451 -5.234 2.865
24 HD21 LEU 2 HD21 LEU 2 -5.137 -1.889 1.493
25 HD22 LEU 2 HD22 LEU 2 -5.288 -2.975 0.093
26 HD23 LEU 2 HD23 LEU 2 -6.736 -2.259 0.835
27 HA PRO 3 HA PRO 3 -10.804 -6.336 -1.450
28 HB2 PRO 3 HB2 PRO 3 -9.089 -5.736 -3.802
29 HB3 PRO 3 HB3 PRO 3 -10.806 -5.332 -3.520
30 HG2 PRO 3 HG2 PRO 3 -8.831 -3.438 -3.459
31 HG3 PRO 3 HG3 PRO 3 -10.262 -3.362 -2.374
32 HD2 PRO 3 HD2 PRO 3 -7.491 -4.425 -1.749
33 HD3 PRO 3 HD3 PRO 3 -8.511 -3.296 -0.810
34 HA PRO 4 HA PRO 4 -9.209 -10.359 -2.068
35 HB2 PRO 4 HB2 PRO 4 -9.857 -10.259 -5.022
36 HB3 PRO 4 HB3 PRO 4 -10.195 -11.561 -3.835
37 HG2 PRO 4 HG2 PRO 4 -12.159 -9.840 -4.516
38 HG3 PRO 4 HG3 PRO 4 -11.913 -10.250 -2.784
39 HD2 PRO 4 HD2 PRO 4 -10.977 -7.793 -4.292
40 HD3 PRO 4 HD3 PRO 4 -11.754 -7.905 -2.680
41 H GLY 5 H GLY 5 -7.230 -11.137 -2.094
42 HA2 GLY 5 HA2 GLY 5 -5.110 -11.733 -2.781
43 HA3 GLY 5 HA3 GLY 5 -5.331 -10.820 -4.283
44 H TRP 6 H TRP 6 -6.008 -8.355 -2.420
45 HA TRP 6 HA TRP 6 -3.290 -7.319 -2.414
46 HB2 TRP 6 HB2 TRP 6 -5.933 -6.136 -1.581
47 HB3 TRP 6 HB3 TRP 6 -4.395 -5.275 -1.457
48 HD1 TRP 6 HD1 TRP 6 -6.990 -6.386 -3.962
49 HE1 TRP 6 HE1 TRP 6 -6.556 -5.285 -6.243
50 HE3 TRP 6 HE3 TRP 6 -2.326 -4.498 -3.050
51 HZ2 TRP 6 HZ2 TRP 6 -4.343 -4.047 -7.584
52 HZ3 TRP 6 HZ3 TRP 6 -1.043 -3.400 -4.879
53 HH2 TRP 6 HH2 TRP 6 -2.034 -3.163 -7.142
54 H GLU 7 H GLU 7 -1.893 -6.999 -0.817
55 HA GLU 7 HA GLU 7 -2.771 -6.602 1.918
56 HB2 GLU 7 HB2 GLU 7 -2.706 -8.945 2.115
57 HB3 GLU 7 HB3 GLU 7 -1.233 -9.084 1.186
58 HG2 GLU 7 HG2 GLU 7 -0.836 -9.618 3.490
59 HG3 GLU 7 HG3 GLU 7 0.092 -8.206 3.022
60 H LYS 8 H LYS 8 -1.334 -5.505 3.186
61 HA LYS 8 HA LYS 8 0.512 -3.737 1.894
62 HB2 LYS 8 HB2 LYS 8 -0.159 -4.305 4.784
63 HB3 LYS 8 HB3 LYS 8 1.234 -3.298 4.369
64 HG2 LYS 8 HG2 LYS 8 -0.190 -1.807 3.013
65 HG3 LYS 8 HG3 LYS 8 -1.601 -2.797 3.400
66 HD2 LYS 8 HD2 LYS 8 -1.636 -0.859 4.819
67 HD3 LYS 8 HD3 LYS 8 -1.251 -2.255 5.836
68 HE2 LYS 8 HE2 LYS 8 1.171 -1.638 5.739
69 HE3 LYS 8 HE3 LYS 8 0.778 -0.270 4.692
70 HZ1 LYS 8 HZ1 LYS 8 -0.537 0.664 6.516
71 HZ2 LYS 8 HZ2 LYS 8 -0.191 -0.611 7.481
72 HZ3 LYS 8 HZ3 LYS 8 0.995 0.406 7.015
73 H ARG 9 H ARG 9 2.628 -3.480 1.951
74 HA ARG 9 HA ARG 9 4.434 -5.760 2.598
75 HB2 ARG 9 HB2 ARG 9 3.335 -5.225 0.029
76 HB3 ARG 9 HB3 ARG 9 4.893 -4.455 -0.018
77 HG2 ARG 9 HG2 ARG 9 5.005 -6.727 -0.894
78 HG3 ARG 9 HG3 ARG 9 5.999 -6.590 0.566
79 HD2 ARG 9 HD2 ARG 9 4.764 -8.704 0.473
80 HD3 ARG 9 HD3 ARG 9 4.289 -7.756 1.889
81 HE ARG 9 HE ARG 9 2.284 -7.010 0.468
82 HH11 ARG 9 HH11 ARG 9 3.583 -10.266 0.260
83 HH12 ARG 9 HH12 ARG 9 2.074 -10.902 -0.332
84 HH21 ARG 9 HH21 ARG 9 0.483 -7.848 -0.382
85 HH22 ARG 9 HH22 ARG 9 0.362 -9.561 -0.698
86 H MET 10 H MET 10 6.771 -5.097 2.098
87 HA MET 10 HA MET 10 7.381 -2.297 2.848
88 HB2 MET 10 HB2 MET 10 6.718 -3.340 4.961
89 HB3 MET 10 HB3 MET 10 7.800 -4.710 4.649
90 HG2 MET 10 HG2 MET 10 8.892 -3.371 6.244
91 HG3 MET 10 HG3 MET 10 9.751 -3.123 4.742
92 HE1 MET 10 HE1 MET 10 8.017 -1.592 7.747
93 HE2 MET 10 HE2 MET 10 7.297 -0.074 7.170
94 HE3 MET 10 HE3 MET 10 6.594 -1.633 6.683
95 H PHE 11 H PHE 11 9.224 -1.664 2.043
96 HA PHE 11 HA PHE 11 11.172 -3.494 0.857
97 HB2 PHE 11 HB2 PHE 11 10.900 -0.495 0.897
98 HB3 PHE 11 HB3 PHE 11 12.323 -1.308 0.242
99 HD1 PHE 11 HD1 PHE 11 11.781 -3.314 -1.471
100 HD2 PHE 11 HD2 PHE 11 9.245 0.099 -0.697
101 HE1 PHE 11 HE1 PHE 11 10.728 -3.582 -3.703
102 HE2 PHE 11 HE2 PHE 11 8.217 -0.170 -2.935
103 HZ PHE 11 HZ PHE 11 8.952 -2.003 -4.441
104 H ALA 12 H ALA 12 13.464 -3.440 1.208
105 HA ALA 12 HA ALA 12 14.216 -3.741 3.928
106 HB1 ALA 12 HB1 ALA 12 15.937 -3.307 1.445
107 HB2 ALA 12 HB2 ALA 12 16.486 -3.986 2.992
108 HB3 ALA 12 HB3 ALA 12 15.298 -4.867 2.016
109 H ASN 13 H ASN 13 14.153 -0.842 1.985
110 HA ASN 13 HA ASN 13 15.845 0.738 3.794
111 HB2 ASN 13 HB2 ASN 13 15.321 2.595 2.253
112 HB3 ASN 13 HB3 ASN 13 15.957 1.167 1.425
113 HD21 ASN 13 HD21 ASN 13 15.094 1.998 -0.528
114 H GLY 14 H GLY 14 12.759 -0.398 4.236
115 HA2 GLY 14 HA2 GLY 14 11.324 0.127 5.983
116 HA3 GLY 14 HA3 GLY 14 12.122 1.692 6.217
117 H THR 15 H THR 15 11.057 0.908 2.978
118 HA THR 15 HA THR 15 8.900 2.953 3.129
119 HB THR 15 HB THR 15 10.109 1.578 0.717
120 HG1 THR 15 HG1 THR 15 11.623 2.762 1.514
121 HG21 THR 15 HG21 THR 15 7.941 2.387 0.105
122 HG22 THR 15 HG22 THR 15 8.219 3.946 0.930
123 HG23 THR 15 HG23 THR 15 9.142 3.516 -0.529
124 H VAL 16 H VAL 16 6.774 2.512 2.997
125 HA VAL 16 HA VAL 16 5.889 -0.329 2.891
126 HB VAL 16 HB VAL 16 4.558 2.278 3.727
127 HG11 VAL 16 HG11 VAL 16 2.615 0.938 4.476
128 HG12 VAL 16 HG12 VAL 16 2.759 0.951 2.725
129 HG13 VAL 16 HG13 VAL 16 3.275 -0.487 3.641
130 HG21 VAL 16 HG21 VAL 16 4.457 1.193 5.933
131 HG22 VAL 16 HG22 VAL 16 5.201 -0.273 5.263
132 HG23 VAL 16 HG23 VAL 16 6.131 1.243 5.354
133 H TYR 17 H TYR 17 4.475 -1.112 1.413
134 HA TYR 17 HA TYR 17 3.156 0.597 -0.561
135 HB2 TYR 17 HB2 TYR 17 4.006 -0.520 -2.522
136 HB3 TYR 17 HB3 TYR 17 5.318 0.207 -1.649
137 HD1 TYR 17 HD1 TYR 17 6.824 -1.317 -0.174
138 HD2 TYR 17 HD2 TYR 17 4.095 -2.793 -3.185
139 HE1 TYR 17 HE1 TYR 17 8.167 -3.398 -0.384
140 HE2 TYR 17 HE2 TYR 17 5.446 -4.876 -3.378
141 HH TYR 17 HH TYR 17 8.448 -5.359 -1.501
142 H TYR 18 H TYR 18 1.938 -1.013 -2.135
143 HA TYR 18 HA TYR 18 0.589 -3.140 -0.523
144 HB2 TYR 18 HB2 TYR 18 -0.593 -1.227 -2.577
145 HB3 TYR 18 HB3 TYR 18 -1.455 -2.540 -1.764
146 HD1 TYR 18 HD1 TYR 18 0.257 0.738 -1.223
147 HD2 TYR 18 HD2 TYR 18 -2.395 -2.245 0.421
148 HE1 TYR 18 HE1 TYR 18 -0.221 2.231 0.712
149 HE2 TYR 18 HE2 TYR 18 -2.937 -0.716 2.296
150 HH TYR 18 HH TYR 18 -2.472 1.281 3.317
151 H PHE 19 H PHE 19 0.277 -5.101 -1.513
152 HA PHE 19 HA PHE 19 0.973 -5.382 -4.396
153 HB2 PHE 19 HB2 PHE 19 3.040 -5.737 -3.154
154 HB3 PHE 19 HB3 PHE 19 2.243 -6.946 -2.139
155 HD1 PHE 19 HD1 PHE 19 3.058 -6.120 -5.665
156 HD2 PHE 19 HD2 PHE 19 2.218 -9.284 -2.864
157 HE1 PHE 19 HE1 PHE 19 3.590 -7.774 -7.401
158 HE2 PHE 19 HE2 PHE 19 2.822 -10.959 -4.589
159 HZ PHE 19 HZ PHE 19 3.508 -10.224 -6.863
160 H ASN 20 H ASN 20 -0.111 -6.898 -5.502
161 HA ASN 20 HA ASN 20 -2.205 -8.432 -4.053
162 HB2 ASN 20 HB2 ASN 20 -2.805 -6.819 -5.895
163 HB3 ASN 20 HB3 ASN 20 -1.984 -7.899 -7.033
164 HD21 ASN 20 HD21 ASN 20 -4.962 -7.112 -6.037
165 HD22 ASN 20 HD22 ASN 20 -5.759 -8.674 -6.127
166 H HIS 21 H HIS 21 -1.718 -10.498 -3.581
167 HA HIS 21 HA HIS 21 0.567 -11.819 -4.790
168 HB2 HIS 21 HB2 HIS 21 0.367 -13.374 -3.139
169 HB3 HIS 21 HB3 HIS 21 -0.375 -11.977 -2.363
170 HD2 HIS 21 HD2 HIS 21 -2.896 -12.258 -1.557
171 HE1 HIS 21 HE1 HIS 21 -3.527 -16.251 -2.907
172 HE2 HIS 21 HE2 HIS 21 -4.478 -14.360 -1.493
173 H ILE 22 H ILE 22 -2.798 -11.786 -5.637
174 HA ILE 22 HA ILE 22 -2.765 -14.348 -7.087
175 HB ILE 22 HB ILE 22 -4.881 -12.161 -6.866
176 HG12 ILE 22 HG12 ILE 22 -4.586 -14.784 -5.317
177 HG13 ILE 22 HG13 ILE 22 -4.323 -13.158 -4.662
178 HG21 ILE 22 HG21 ILE 22 -5.215 -13.576 -8.858
179 HG22 ILE 22 HG22 ILE 22 -5.121 -15.036 -7.846
180 HG23 ILE 22 HG23 ILE 22 -6.461 -13.881 -7.665
181 HD11 ILE 22 HD11 ILE 22 -6.429 -13.823 -3.886
182 HD12 ILE 22 HD12 ILE 22 -6.739 -12.631 -5.164
183 HD13 ILE 22 HD13 ILE 22 -6.967 -14.369 -5.485
184 H THR 23 H THR 23 -2.814 -10.875 -7.795
185 HA THR 23 HA THR 23 -2.660 -11.395 -10.710
186 HB THR 23 HB THR 23 -3.739 -9.387 -11.118
187 HG1 THR 23 HG1 THR 23 -4.246 -8.191 -8.994
188 HG21 THR 23 HG21 THR 23 -5.811 -9.450 -9.900
189 HG22 THR 23 HG22 THR 23 -5.264 -11.120 -10.105
190 HG23 THR 23 HG23 THR 23 -5.076 -10.312 -8.533
191 H ASN 24 H ASN 24 -0.521 -10.473 -8.334
192 HA ASN 24 HA ASN 24 1.502 -9.589 -8.244
193 HB2 ASN 24 HB2 ASN 24 1.654 -10.088 -11.234
194 HB3 ASN 24 HB3 ASN 24 3.022 -9.753 -10.164
195 HD21 ASN 24 HD21 ASN 24 1.383 -12.255 -11.629
196 HD22 ASN 24 HD22 ASN 24 1.887 -13.536 -10.522
197 H ALA 25 H ALA 25 -0.882 -7.768 -9.054
198 HA ALA 25 HA ALA 25 0.365 -5.379 -10.112
199 HB1 ALA 25 HB1 ALA 25 -2.055 -5.842 -10.286
200 HB2 ALA 25 HB2 ALA 25 -2.201 -5.781 -8.516
201 HB3 ALA 25 HB3 ALA 25 -1.752 -4.322 -9.426
202 H SER 26 H SER 26 0.869 -3.434 -8.973
203 HA SER 26 HA SER 26 1.174 -3.558 -6.041
204 HB2 SER 26 HB2 SER 26 3.474 -2.743 -6.107
205 HB3 SER 26 HB3 SER 26 3.318 -4.347 -6.828
206 HG SER 26 HG SER 26 4.616 -2.986 -8.103
207 H GLN 27 H GLN 27 1.305 -1.556 -4.988
208 HA GLN 27 HA GLN 27 1.195 0.980 -6.494
209 HB2 GLN 27 HB2 GLN 27 -1.103 -0.053 -4.778
210 HB3 GLN 27 HB3 GLN 27 -0.785 1.672 -5.021
211 HG2 GLN 27 HG2 GLN 27 -1.069 1.506 -7.384
212 HG3 GLN 27 HG3 GLN 27 -1.370 -0.246 -7.276
213 HE21 GLN 27 HE21 GLN 27 -2.820 1.696 -4.688
214 HE22 GLN 27 HE22 GLN 27 -4.421 1.749 -5.430
215 H PHE 28 H PHE 28 1.712 2.815 -5.250
216 HA PHE 28 HA PHE 28 2.839 2.296 -2.573
217 HB2 PHE 28 HB2 PHE 28 3.080 4.630 -4.444
218 HB3 PHE 28 HB3 PHE 28 3.550 4.727 -2.743
219 HD1 PHE 28 HD1 PHE 28 5.322 3.211 -1.798
220 HD2 PHE 28 HD2 PHE 28 4.514 3.473 -6.029
221 HE1 PHE 28 HE1 PHE 28 7.537 2.195 -2.290
222 HE2 PHE 28 HE2 PHE 28 6.727 2.452 -6.513
223 HZ PHE 28 HZ PHE 28 8.242 1.818 -4.643
224 H GLU 29 H GLU 29 -0.094 3.504 -3.788
225 HA GLU 29 HA GLU 29 -0.948 4.301 -1.025
226 HB2 GLU 29 HB2 GLU 29 -2.082 5.197 -3.700
227 HB3 GLU 29 HB3 GLU 29 -2.804 5.522 -2.113
228 HG2 GLU 29 HG2 GLU 29 -0.715 6.704 -1.426
229 HG3 GLU 29 HG3 GLU 29 -0.064 6.474 -3.052
230 H ARG 30 H ARG 30 -3.097 3.535 -0.364
231 HA ARG 30 HA ARG 30 -3.341 0.779 -0.982
232 HB2 ARG 30 HB2 ARG 30 -5.233 0.676 0.466
233 HB3 ARG 30 HB3 ARG 30 -4.012 1.675 1.195
234 HG2 ARG 30 HG2 ARG 30 -5.206 3.572 1.133
235 HG3 ARG 30 HG3 ARG 30 -6.129 3.151 -0.329
236 HD2 ARG 30 HD2 ARG 30 -6.530 1.927 2.420
237 HD3 ARG 30 HD3 ARG 30 -7.565 3.158 1.681
238 HE ARG 30 HE ARG 30 -7.753 1.287 -0.231
239 HH11 ARG 30 HH11 ARG 30 -7.864 0.604 3.226
240 HH12 ARG 30 HH12 ARG 30 -8.701 -0.909 2.944
241 HH21 ARG 30 HH21 ARG 30 -8.931 -0.451 -0.454
242 HH22 ARG 30 HH22 ARG 30 -9.472 -1.380 0.941
243 HA PRO 31 HA PRO 31 -6.058 0.614 -4.507
244 HB2 PRO 31 HB2 PRO 31 -7.266 -1.807 -4.176
245 HB3 PRO 31 HB3 PRO 31 -5.535 -1.641 -4.622
246 HG2 PRO 31 HG2 PRO 31 -6.729 -2.069 -1.867
247 HG3 PRO 31 HG3 PRO 31 -5.377 -2.968 -2.628
248 HD2 PRO 31 HD2 PRO 31 -4.966 -0.935 -0.893
249 HD3 PRO 31 HD3 PRO 31 -3.879 -1.162 -2.274
250 H SER 32 H SER 32 -8.240 0.911 -5.096
251 HA SER 32 HA SER 32 -10.016 2.003 -3.078
252 HB2 SER 32 HB2 SER 32 -11.540 2.375 -4.979
253 HB3 SER 32 HB3 SER 32 -9.914 3.011 -5.264
254 HG SER 32 HG SER 32 -10.739 1.862 -7.069
255 H GLY 33 H GLY 33 -12.206 1.359 -2.705
256 HA2 GLY 33 HA2 GLY 33 -13.310 -1.215 -3.378
257 HA3 GLY 33 HA3 GLY 33 -12.576 -1.263 -1.774
258 H1' ALL 101 H1 ALL 34 12.179 1.454 -0.859
259 H2' ALL 101 H2 ALL 34 14.070 3.181 -2.557
260 H3' ALL 101 H3 ALL 34 12.178 3.549 -4.063
261 H4' ALL 101 H4 ALL 34 13.558 1.638 -4.653
262 H5' ALL 101 H5 ALL 34 11.788 -0.081 -2.866
263 H6'1 ALL 101 H62 ALL 34 12.921 -1.190 -4.912
264 H6'2 ALL 101 H61 ALL 34 13.276 -1.893 -3.321
265 HO'2 ALL 101 H2O ALL 34 13.100 4.192 -0.647
266 HO'3 ALL 101 H3O ALL 34 10.571 3.256 -2.373
267 HO'4 ALL 101 H4O ALL 34 10.748 1.297 -4.744
268 HO'6 ALL 101 H6O ALL 34 15.133 -0.435 -3.278
Start of MODEL 4
1 H1 LYS 1 H1 LYS 1 -10.188 -6.219 4.784
2 H2 LYS 1 H2 LYS 1 -11.605 -5.523 4.347
3 H3 LYS 1 H3 LYS 1 -11.220 -5.668 5.928
4 HA LYS 1 HA LYS 1 -10.948 -3.408 5.225
5 HB2 LYS 1 HB2 LYS 1 -9.524 -4.235 7.026
6 HB3 LYS 1 HB3 LYS 1 -8.309 -4.782 5.869
7 HG2 LYS 1 HG2 LYS 1 -7.915 -2.440 5.155
8 HG3 LYS 1 HG3 LYS 1 -9.196 -1.884 6.250
9 HD2 LYS 1 HD2 LYS 1 -7.910 -2.736 8.190
10 HD3 LYS 1 HD3 LYS 1 -6.633 -3.315 7.097
11 HE2 LYS 1 HE2 LYS 1 -6.231 -1.003 6.318
12 HE3 LYS 1 HE3 LYS 1 -7.533 -0.410 7.362
13 HZ1 LYS 1 HZ1 LYS 1 -6.255 -1.170 9.285
14 HZ2 LYS 1 HZ2 LYS 1 -5.053 -1.731 8.329
15 HZ3 LYS 1 HZ3 LYS 1 -5.360 -0.127 8.406
16 H LEU 2 H LEU 2 -8.108 -5.004 3.701
17 HA LEU 2 HA LEU 2 -8.200 -3.286 1.348
18 HB2 LEU 2 HB2 LEU 2 -6.563 -5.624 2.338
19 HB3 LEU 2 HB3 LEU 2 -6.560 -5.273 0.610
20 HG LEU 2 HG LEU 2 -5.694 -3.043 0.949
21 HD11 LEU 2 HD11 LEU 2 -6.600 -2.392 3.120
22 HD12 LEU 2 HD12 LEU 2 -5.635 -3.657 3.928
23 HD13 LEU 2 HD13 LEU 2 -4.832 -2.286 3.121
24 HD21 LEU 2 HD21 LEU 2 -3.469 -3.717 1.927
25 HD22 LEU 2 HD22 LEU 2 -4.205 -5.234 2.450
26 HD23 LEU 2 HD23 LEU 2 -4.096 -4.844 0.716
27 HA PRO 3 HA PRO 3 -10.935 -5.815 -1.162
28 HB2 PRO 3 HB2 PRO 3 -10.017 -5.346 -3.706
29 HB3 PRO 3 HB3 PRO 3 -10.859 -4.108 -2.720
30 HG2 PRO 3 HG2 PRO 3 -7.869 -4.511 -3.045
31 HG3 PRO 3 HG3 PRO 3 -8.804 -3.000 -3.246
32 HD2 PRO 3 HD2 PRO 3 -7.514 -3.604 -0.929
33 HD3 PRO 3 HD3 PRO 3 -9.111 -2.792 -0.902
34 HA PRO 4 HA PRO 4 -9.385 -9.813 -1.715
35 HB2 PRO 4 HB2 PRO 4 -10.360 -9.862 -4.580
36 HB3 PRO 4 HB3 PRO 4 -10.568 -11.098 -3.296
37 HG2 PRO 4 HG2 PRO 4 -12.588 -9.393 -3.837
38 HG3 PRO 4 HG3 PRO 4 -12.145 -9.713 -2.126
39 HD2 PRO 4 HD2 PRO 4 -11.379 -7.351 -3.860
40 HD3 PRO 4 HD3 PRO 4 -11.967 -7.374 -2.168
41 H GLY 5 H GLY 5 -7.512 -10.810 -2.051
42 HA2 GLY 5 HA2 GLY 5 -5.513 -11.491 -2.980
43 HA3 GLY 5 HA3 GLY 5 -5.841 -10.510 -4.419
44 H TRP 6 H TRP 6 -6.160 -8.048 -2.511
45 HA TRP 6 HA TRP 6 -3.344 -7.280 -2.614
46 HB2 TRP 6 HB2 TRP 6 -5.822 -5.758 -1.810
47 HB3 TRP 6 HB3 TRP 6 -4.184 -5.102 -1.764
48 HD1 TRP 6 HD1 TRP 6 -6.849 -6.239 -4.241
49 HE1 TRP 6 HE1 TRP 6 -6.361 -5.274 -6.570
50 HE3 TRP 6 HE3 TRP 6 -2.162 -4.357 -3.372
51 HZ2 TRP 6 HZ2 TRP 6 -4.163 -4.001 -7.921
52 HZ3 TRP 6 HZ3 TRP 6 -0.870 -3.314 -5.240
53 HH2 TRP 6 HH2 TRP 6 -1.856 -3.140 -7.499
54 H GLU 7 H GLU 7 -1.943 -6.851 -1.028
55 HA GLU 7 HA GLU 7 -2.677 -6.900 1.822
56 HB2 GLU 7 HB2 GLU 7 -2.370 -9.226 1.439
57 HB3 GLU 7 HB3 GLU 7 -0.974 -8.960 0.412
58 HG2 GLU 7 HG2 GLU 7 -0.357 -10.002 2.489
59 HG3 GLU 7 HG3 GLU 7 0.437 -8.458 2.276
60 H LYS 8 H LYS 8 -1.031 -6.024 3.205
61 HA LYS 8 HA LYS 8 0.593 -3.925 2.015
62 HB2 LYS 8 HB2 LYS 8 0.248 -4.975 4.829
63 HB3 LYS 8 HB3 LYS 8 1.589 -3.890 4.437
64 HG2 LYS 8 HG2 LYS 8 0.045 -2.206 3.539
65 HG3 LYS 8 HG3 LYS 8 -1.326 -3.275 3.851
66 HD2 LYS 8 HD2 LYS 8 -1.237 -1.627 5.604
67 HD3 LYS 8 HD3 LYS 8 -0.785 -3.188 6.305
68 HE2 LYS 8 HE2 LYS 8 1.628 -2.549 6.132
69 HE3 LYS 8 HE3 LYS 8 1.162 -1.004 5.410
70 HZ1 LYS 8 HZ1 LYS 8 1.569 -0.792 7.795
71 HZ2 LYS 8 HZ2 LYS 8 -0.000 -0.465 7.484
72 HZ3 LYS 8 HZ3 LYS 8 0.422 -1.899 8.146
73 H ARG 9 H ARG 9 2.702 -3.656 1.809
74 HA ARG 9 HA ARG 9 4.635 -5.884 2.201
75 HB2 ARG 9 HB2 ARG 9 3.389 -5.555 -0.250
76 HB3 ARG 9 HB3 ARG 9 4.687 -4.394 -0.405
77 HG2 ARG 9 HG2 ARG 9 5.659 -6.270 -1.301
78 HG3 ARG 9 HG3 ARG 9 6.222 -6.432 0.370
79 HD2 ARG 9 HD2 ARG 9 3.953 -7.903 -1.034
80 HD3 ARG 9 HD3 ARG 9 5.481 -8.579 -0.450
81 HE ARG 9 HE ARG 9 3.325 -7.480 1.347
82 HH11 ARG 9 HH11 ARG 9 5.105 -10.912 2.255
83 HH12 ARG 9 HH12 ARG 9 5.566 -10.131 0.763
84 HH21 ARG 9 HH21 ARG 9 2.865 -8.449 3.154
85 HH22 ARG 9 HH22 ARG 9 3.589 -9.988 3.585
86 H MET 10 H MET 10 6.925 -5.088 1.843
87 HA MET 10 HA MET 10 7.305 -2.195 2.156
88 HB2 MET 10 HB2 MET 10 6.652 -3.063 4.443
89 HB3 MET 10 HB3 MET 10 8.114 -4.070 4.411
90 HG2 MET 10 HG2 MET 10 9.463 -1.938 4.148
91 HG3 MET 10 HG3 MET 10 7.958 -1.035 4.287
92 HE1 MET 10 HE1 MET 10 10.182 -3.260 7.669
93 HE2 MET 10 HE2 MET 10 9.515 -4.155 6.290
94 HE3 MET 10 HE3 MET 10 10.799 -2.951 6.031
95 H PHE 11 H PHE 11 9.215 -1.494 1.545
96 HA PHE 11 HA PHE 11 11.223 -3.236 0.393
97 HB2 PHE 11 HB2 PHE 11 10.983 -0.247 0.731
98 HB3 PHE 11 HB3 PHE 11 12.402 -1.015 0.012
99 HD1 PHE 11 HD1 PHE 11 11.982 -2.682 -1.969
100 HD2 PHE 11 HD2 PHE 11 9.190 0.376 -0.724
101 HE1 PHE 11 HE1 PHE 11 10.915 -2.732 -4.211
102 HE2 PHE 11 HE2 PHE 11 8.138 0.312 -2.962
103 HZ PHE 11 HZ PHE 11 8.996 -1.228 -4.712
104 H ALA 12 H ALA 12 13.519 -3.207 0.851
105 HA ALA 12 HA ALA 12 14.129 -3.808 3.554
106 HB1 ALA 12 HB1 ALA 12 15.311 -4.721 1.589
107 HB2 ALA 12 HB2 ALA 12 15.982 -3.111 1.231
108 HB3 ALA 12 HB3 ALA 12 16.445 -3.963 2.720
109 H ASN 13 H ASN 13 14.159 -0.712 1.949
110 HA ASN 13 HA ASN 13 15.769 0.668 3.980
111 HB2 ASN 13 HB2 ASN 13 15.229 2.682 2.659
112 HB3 ASN 13 HB3 ASN 13 15.875 1.372 1.658
113 HD21 ASN 13 HD21 ASN 13 14.957 2.588 -0.125
114 H GLY 14 H GLY 14 12.642 -0.525 4.137
115 HA2 GLY 14 HA2 GLY 14 11.129 -0.231 5.879
116 HA3 GLY 14 HA3 GLY 14 11.899 1.295 6.343
117 H THR 15 H THR 15 10.979 0.882 2.972
118 HA THR 15 HA THR 15 8.813 2.906 3.281
119 HB THR 15 HB THR 15 10.021 1.759 0.751
120 HG1 THR 15 HG1 THR 15 11.518 2.858 1.834
121 HG21 THR 15 HG21 THR 15 9.054 3.897 -0.236
122 HG22 THR 15 HG22 THR 15 7.903 2.622 0.173
123 HG23 THR 15 HG23 THR 15 8.087 4.041 1.243
124 H VAL 16 H VAL 16 6.711 2.368 3.293
125 HA VAL 16 HA VAL 16 5.925 -0.454 2.813
126 HB VAL 16 HB VAL 16 4.539 1.905 4.138
127 HG11 VAL 16 HG11 VAL 16 2.759 0.526 3.158
128 HG12 VAL 16 HG12 VAL 16 3.492 -0.944 3.846
129 HG13 VAL 16 HG13 VAL 16 2.811 0.314 4.903
130 HG21 VAL 16 HG21 VAL 16 6.367 0.855 5.456
131 HG22 VAL 16 HG22 VAL 16 4.782 0.552 6.184
132 HG23 VAL 16 HG23 VAL 16 5.585 -0.731 5.260
133 H TYR 17 H TYR 17 4.405 -1.107 1.404
134 HA TYR 17 HA TYR 17 2.866 0.717 -0.293
135 HB2 TYR 17 HB2 TYR 17 3.700 -0.127 -2.393
136 HB3 TYR 17 HB3 TYR 17 5.010 0.575 -1.497
137 HD1 TYR 17 HD1 TYR 17 6.706 -0.958 -0.326
138 HD2 TYR 17 HD2 TYR 17 3.817 -2.370 -3.208
139 HE1 TYR 17 HE1 TYR 17 8.149 -2.921 -0.818
140 HE2 TYR 17 HE2 TYR 17 5.264 -4.341 -3.686
141 HH TYR 17 HH TYR 17 8.464 -4.741 -2.142
142 H TYR 18 H TYR 18 1.766 -0.973 -2.047
143 HA TYR 18 HA TYR 18 0.606 -3.215 -0.438
144 HB2 TYR 18 HB2 TYR 18 -0.842 -1.284 -2.285
145 HB3 TYR 18 HB3 TYR 18 -1.560 -2.628 -1.382
146 HD1 TYR 18 HD1 TYR 18 -0.077 0.761 -1.122
147 HD2 TYR 18 HD2 TYR 18 -2.001 -2.439 1.032
148 HE1 TYR 18 HE1 TYR 18 -0.344 2.250 0.859
149 HE2 TYR 18 HE2 TYR 18 -2.299 -0.945 2.993
150 HH TYR 18 HH TYR 18 -1.882 1.121 3.881
151 H PHE 19 H PHE 19 0.148 -5.081 -1.498
152 HA PHE 19 HA PHE 19 1.027 -5.401 -4.342
153 HB2 PHE 19 HB2 PHE 19 2.942 -5.744 -2.892
154 HB3 PHE 19 HB3 PHE 19 2.013 -6.870 -1.886
155 HD1 PHE 19 HD1 PHE 19 3.185 -6.305 -5.369
156 HD2 PHE 19 HD2 PHE 19 2.022 -9.234 -2.428
157 HE1 PHE 19 HE1 PHE 19 3.834 -8.091 -6.919
158 HE2 PHE 19 HE2 PHE 19 2.745 -11.046 -3.963
159 HZ PHE 19 HZ PHE 19 3.650 -10.495 -6.215
160 H ASN 20 H ASN 20 -0.133 -6.822 -5.539
161 HA ASN 20 HA ASN 20 -2.278 -8.362 -4.184
162 HB2 ASN 20 HB2 ASN 20 -2.787 -6.854 -6.133
163 HB3 ASN 20 HB3 ASN 20 -1.869 -7.970 -7.159
164 HD21 ASN 20 HD21 ASN 20 -5.668 -8.869 -6.266
165 HD22 ASN 20 HD22 ASN 20 -4.957 -7.282 -5.980
166 H HIS 21 H HIS 21 -1.888 -10.419 -3.630
167 HA HIS 21 HA HIS 21 0.510 -11.779 -4.542
168 HB2 HIS 21 HB2 HIS 21 0.124 -13.285 -2.865
169 HB3 HIS 21 HB3 HIS 21 -0.643 -11.837 -2.216
170 HD2 HIS 21 HD2 HIS 21 -3.240 -12.015 -1.646
171 HE1 HIS 21 HE1 HIS 21 -3.856 -16.050 -2.870
172 HE2 HIS 21 HE2 HIS 21 -4.884 -14.070 -1.644
173 H ILE 22 H ILE 22 -2.745 -11.782 -5.725
174 HA ILE 22 HA ILE 22 -2.622 -14.417 -7.011
175 HB ILE 22 HB ILE 22 -4.694 -12.191 -7.244
176 HG12 ILE 22 HG12 ILE 22 -4.638 -14.563 -5.316
177 HG13 ILE 22 HG13 ILE 22 -4.414 -12.862 -4.868
178 HG21 ILE 22 HG21 ILE 22 -6.210 -13.981 -7.984
179 HG22 ILE 22 HG22 ILE 22 -4.814 -13.886 -9.041
180 HG23 ILE 22 HG23 ILE 22 -4.900 -15.175 -7.819
181 HD11 ILE 22 HD11 ILE 22 -6.609 -13.432 -4.259
182 HD12 ILE 22 HD12 ILE 22 -6.733 -12.376 -5.681
183 HD13 ILE 22 HD13 ILE 22 -6.978 -14.136 -5.843
184 H THR 23 H THR 23 -2.503 -10.996 -7.936
185 HA THR 23 HA THR 23 -2.004 -11.694 -10.778
186 HB THR 23 HB THR 23 -2.963 -9.660 -11.409
187 HG1 THR 23 HG1 THR 23 -3.744 -8.351 -9.491
188 HG21 THR 23 HG21 THR 23 -4.631 -11.366 -10.574
189 HG22 THR 23 HG22 THR 23 -4.673 -10.497 -9.024
190 HG23 THR 23 HG23 THR 23 -5.190 -9.687 -10.517
191 H ASN 24 H ASN 24 -0.163 -10.677 -8.200
192 HA ASN 24 HA ASN 24 1.853 -9.822 -7.901
193 HB2 ASN 24 HB2 ASN 24 2.364 -10.453 -10.826
194 HB3 ASN 24 HB3 ASN 24 3.595 -10.102 -9.604
195 HD21 ASN 24 HD21 ASN 24 2.124 -12.631 -11.179
196 HD22 ASN 24 HD22 ASN 24 2.438 -13.875 -9.964
197 H ALA 25 H ALA 25 -0.376 -8.003 -9.025
198 HA ALA 25 HA ALA 25 1.015 -5.679 -10.057
199 HB1 ALA 25 HB1 ALA 25 -1.694 -5.951 -8.679
200 HB2 ALA 25 HB2 ALA 25 -1.129 -4.557 -9.625
201 HB3 ALA 25 HB3 ALA 25 -1.399 -6.119 -10.424
202 H SER 26 H SER 26 1.478 -3.705 -8.938
203 HA SER 26 HA SER 26 1.481 -3.733 -5.979
204 HB2 SER 26 HB2 SER 26 3.784 -2.969 -5.841
205 HB3 SER 26 HB3 SER 26 3.683 -4.573 -6.576
206 HG SER 26 HG SER 26 5.111 -3.232 -7.719
207 H GLN 27 H GLN 27 1.403 -1.676 -4.996
208 HA GLN 27 HA GLN 27 1.604 0.765 -6.586
209 HB2 GLN 27 HB2 GLN 27 -0.645 1.497 -6.440
210 HB3 GLN 27 HB3 GLN 27 -0.684 -0.126 -7.134
211 HG2 GLN 27 HG2 GLN 27 -1.421 -1.061 -4.977
212 HG3 GLN 27 HG3 GLN 27 -1.308 0.527 -4.237
213 HE21 GLN 27 HE21 GLN 27 -3.322 1.362 -3.949
214 HE22 GLN 27 HE22 GLN 27 -4.625 1.279 -5.153
215 H PHE 28 H PHE 28 1.534 2.716 -5.320
216 HA PHE 28 HA PHE 28 2.482 2.258 -2.598
217 HB2 PHE 28 HB2 PHE 28 2.597 4.631 -4.423
218 HB3 PHE 28 HB3 PHE 28 3.008 4.743 -2.709
219 HD1 PHE 28 HD1 PHE 28 4.125 3.526 -5.974
220 HD2 PHE 28 HD2 PHE 28 4.908 3.447 -1.729
221 HE1 PHE 28 HE1 PHE 28 6.426 2.701 -6.412
222 HE2 PHE 28 HE2 PHE 28 7.209 2.629 -2.176
223 HZ PHE 28 HZ PHE 28 7.973 2.259 -4.515
224 H GLU 29 H GLU 29 -0.455 3.633 -3.862
225 HA GLU 29 HA GLU 29 -1.295 4.619 -1.181
226 HB2 GLU 29 HB2 GLU 29 -2.665 4.689 -3.898
227 HB3 GLU 29 HB3 GLU 29 -3.348 5.355 -2.422
228 HG2 GLU 29 HG2 GLU 29 -0.763 6.283 -3.753
229 HG3 GLU 29 HG3 GLU 29 -2.332 7.065 -3.891
230 H ARG 30 H ARG 30 -3.269 3.868 -0.158
231 HA ARG 30 HA ARG 30 -3.378 1.036 -0.055
232 HB2 ARG 30 HB2 ARG 30 -4.059 2.832 1.726
233 HB3 ARG 30 HB3 ARG 30 -5.643 2.767 0.963
234 HG2 ARG 30 HG2 ARG 30 -4.973 0.040 1.358
235 HG3 ARG 30 HG3 ARG 30 -4.266 0.866 2.751
236 HD2 ARG 30 HD2 ARG 30 -6.319 0.369 3.572
237 HD3 ARG 30 HD3 ARG 30 -6.651 1.992 2.952
238 HE ARG 30 HE ARG 30 -7.262 0.289 0.815
239 HH11 ARG 30 HH11 ARG 30 -8.453 0.416 4.124
240 HH12 ARG 30 HH12 ARG 30 -9.873 -0.511 3.701
241 HH21 ARG 30 HH21 ARG 30 -9.025 -0.813 0.398
242 HH22 ARG 30 HH22 ARG 30 -10.110 -1.334 1.691
243 HA PRO 31 HA PRO 31 -6.163 0.442 -3.577
244 HB2 PRO 31 HB2 PRO 31 -6.469 -2.288 -3.442
245 HB3 PRO 31 HB3 PRO 31 -5.010 -1.482 -4.094
246 HG2 PRO 31 HG2 PRO 31 -5.455 -2.613 -1.323
247 HG3 PRO 31 HG3 PRO 31 -4.025 -2.807 -2.389
248 HD2 PRO 31 HD2 PRO 31 -4.071 -0.997 -0.385
249 HD3 PRO 31 HD3 PRO 31 -3.264 -0.637 -1.941
250 H SER 32 H SER 32 -8.363 -0.103 -3.986
251 HA SER 32 HA SER 32 -10.119 -0.995 -1.805
252 HB2 SER 32 HB2 SER 32 -9.850 1.446 -1.399
253 HB3 SER 32 HB3 SER 32 -10.466 1.764 -3.032
254 HG SER 32 HG SER 32 -12.097 1.877 -1.415
255 H GLY 33 H GLY 33 -12.240 -1.525 -2.516
256 HA2 GLY 33 HA2 GLY 33 -13.182 -1.422 -5.226
257 HA3 GLY 33 HA3 GLY 33 -12.386 -2.972 -4.935
258 H1' ALL 101 H1 ALL 34 12.066 1.962 -0.531
259 H2' ALL 101 H2 ALL 34 13.827 4.095 -1.854
260 H3' ALL 101 H3 ALL 34 11.909 4.676 -3.240
261 H4' ALL 101 H4 ALL 34 13.380 2.994 -4.202
262 H5' ALL 101 H5 ALL 34 11.686 0.874 -2.808
263 H6'1 ALL 101 H62 ALL 34 12.825 0.249 -5.051
264 H6'2 ALL 101 H61 ALL 34 13.219 -0.754 -3.639
265 HO'2 ALL 101 H2O ALL 34 11.738 4.244 0.073
266 HO'3 ALL 101 H3O ALL 34 10.197 4.093 -1.896
267 HO'4 ALL 101 H4O ALL 34 10.586 2.575 -4.387
268 HO'6 ALL 101 H6O ALL 34 15.030 0.729 -3.309
Start of MODEL 5
1 H1 LYS 1 H1 LYS 1 -10.467 -3.898 7.010
2 H2 LYS 1 H2 LYS 1 -11.310 -4.145 5.626
3 H3 LYS 1 H3 LYS 1 -10.450 -2.771 5.822
4 HA LYS 1 HA LYS 1 -8.385 -3.958 5.828
5 HB2 LYS 1 HB2 LYS 1 -9.341 -6.021 6.853
6 HB3 LYS 1 HB3 LYS 1 -10.126 -6.410 5.328
7 HG2 LYS 1 HG2 LYS 1 -8.154 -7.773 5.671
8 HG3 LYS 1 HG3 LYS 1 -7.933 -6.763 4.257
9 HD2 LYS 1 HD2 LYS 1 -6.597 -5.149 5.776
10 HD3 LYS 1 HD3 LYS 1 -6.692 -6.388 7.027
11 HE2 LYS 1 HE2 LYS 1 -5.464 -6.738 4.247
12 HE3 LYS 1 HE3 LYS 1 -4.556 -6.393 5.717
13 HZ1 LYS 1 HZ1 LYS 1 -6.152 -8.848 5.248
14 HZ2 LYS 1 HZ2 LYS 1 -4.519 -8.728 5.208
15 HZ3 LYS 1 HZ3 LYS 1 -5.318 -8.513 6.622
16 H LEU 2 H LEU 2 -7.274 -4.652 3.827
17 HA LEU 2 HA LEU 2 -8.037 -3.261 1.485
18 HB2 LEU 2 HB2 LEU 2 -5.986 -5.374 2.230
19 HB3 LEU 2 HB3 LEU 2 -6.259 -5.013 0.526
20 HG LEU 2 HG LEU 2 -5.798 -2.611 0.933
21 HD11 LEU 2 HD11 LEU 2 -4.972 -3.557 3.713
22 HD12 LEU 2 HD12 LEU 2 -4.506 -2.003 2.996
23 HD13 LEU 2 HD13 LEU 2 -6.215 -2.342 3.317
24 HD21 LEU 2 HD21 LEU 2 -3.523 -4.390 1.875
25 HD22 LEU 2 HD22 LEU 2 -4.068 -4.295 0.188
26 HD23 LEU 2 HD23 LEU 2 -3.445 -2.853 0.975
27 HA PRO 3 HA PRO 3 -10.763 -5.978 -0.729
28 HB2 PRO 3 HB2 PRO 3 -10.075 -5.590 -3.359
29 HB3 PRO 3 HB3 PRO 3 -10.850 -4.323 -2.354
30 HG2 PRO 3 HG2 PRO 3 -7.883 -4.719 -2.886
31 HG3 PRO 3 HG3 PRO 3 -8.843 -3.230 -3.114
32 HD2 PRO 3 HD2 PRO 3 -7.417 -3.636 -0.862
33 HD3 PRO 3 HD3 PRO 3 -9.047 -2.907 -0.755
34 HA PRO 4 HA PRO 4 -9.114 -9.976 -1.379
35 HB2 PRO 4 HB2 PRO 4 -10.397 -10.065 -4.118
36 HB3 PRO 4 HB3 PRO 4 -10.416 -11.305 -2.822
37 HG2 PRO 4 HG2 PRO 4 -12.550 -9.683 -3.146
38 HG3 PRO 4 HG3 PRO 4 -11.920 -9.987 -1.491
39 HD2 PRO 4 HD2 PRO 4 -11.433 -7.592 -3.282
40 HD3 PRO 4 HD3 PRO 4 -11.839 -7.642 -1.538
41 H GLY 5 H GLY 5 -7.296 -10.982 -2.034
42 HA2 GLY 5 HA2 GLY 5 -5.364 -11.499 -3.197
43 HA3 GLY 5 HA3 GLY 5 -5.853 -10.409 -4.509
44 H TRP 6 H TRP 6 -6.125 -8.072 -2.609
45 HA TRP 6 HA TRP 6 -3.322 -7.240 -2.638
46 HB2 TRP 6 HB2 TRP 6 -5.874 -5.781 -1.932
47 HB3 TRP 6 HB3 TRP 6 -4.256 -5.082 -1.849
48 HD1 TRP 6 HD1 TRP 6 -6.827 -6.231 -4.416
49 HE1 TRP 6 HE1 TRP 6 -6.237 -5.244 -6.712
50 HE3 TRP 6 HE3 TRP 6 -2.176 -4.401 -3.320
51 HZ2 TRP 6 HZ2 TRP 6 -3.938 -4.034 -7.967
52 HZ3 TRP 6 HZ3 TRP 6 -0.778 -3.389 -5.104
53 HH2 TRP 6 HH2 TRP 6 -1.641 -3.195 -7.424
54 H GLU 7 H GLU 7 -1.978 -6.798 -0.986
55 HA GLU 7 HA GLU 7 -2.888 -6.767 1.818
56 HB2 GLU 7 HB2 GLU 7 -2.468 -9.168 1.225
57 HB3 GLU 7 HB3 GLU 7 -0.823 -8.753 0.763
58 HG2 GLU 7 HG2 GLU 7 -0.959 -9.831 2.970
59 HG3 GLU 7 HG3 GLU 7 -0.251 -8.230 3.073
60 H LYS 8 H LYS 8 -1.194 -5.985 3.299
61 HA LYS 8 HA LYS 8 0.496 -3.889 2.231
62 HB2 LYS 8 HB2 LYS 8 0.151 -5.135 4.962
63 HB3 LYS 8 HB3 LYS 8 1.534 -4.082 4.632
64 HG2 LYS 8 HG2 LYS 8 0.050 -2.271 3.888
65 HG3 LYS 8 HG3 LYS 8 -1.365 -3.297 4.163
66 HD2 LYS 8 HD2 LYS 8 -1.137 -1.768 6.016
67 HD3 LYS 8 HD3 LYS 8 -0.778 -3.400 6.596
68 HE2 LYS 8 HE2 LYS 8 1.661 -2.916 6.439
69 HE3 LYS 8 HE3 LYS 8 1.307 -1.303 5.812
70 HZ1 LYS 8 HZ1 LYS 8 1.743 -1.257 8.199
71 HZ2 LYS 8 HZ2 LYS 8 0.199 -0.801 7.924
72 HZ3 LYS 8 HZ3 LYS 8 0.522 -2.297 8.499
73 H ARG 9 H ARG 9 2.594 -3.656 2.014
74 HA ARG 9 HA ARG 9 4.478 -5.951 2.142
75 HB2 ARG 9 HB2 ARG 9 3.135 -5.510 -0.169
76 HB3 ARG 9 HB3 ARG 9 4.317 -4.234 -0.351
77 HG2 ARG 9 HG2 ARG 9 5.071 -6.169 -1.534
78 HG3 ARG 9 HG3 ARG 9 6.139 -6.000 -0.123
79 HD2 ARG 9 HD2 ARG 9 4.949 -7.803 1.029
80 HD3 ARG 9 HD3 ARG 9 3.698 -7.824 -0.238
81 HE ARG 9 HE ARG 9 6.392 -8.314 -1.254
82 HH11 ARG 9 HH11 ARG 9 6.829 -10.268 -2.199
83 HH12 ARG 9 HH12 ARG 9 5.794 -11.636 -1.895
84 HH21 ARG 9 HH21 ARG 9 3.639 -9.954 0.173
85 HH22 ARG 9 HH22 ARG 9 4.035 -11.468 -0.599
86 H MET 10 H MET 10 6.780 -5.174 1.814
87 HA MET 10 HA MET 10 7.224 -2.302 2.217
88 HB2 MET 10 HB2 MET 10 6.611 -3.197 4.490
89 HB3 MET 10 HB3 MET 10 8.028 -4.262 4.398
90 HG2 MET 10 HG2 MET 10 9.469 -2.201 4.171
91 HG3 MET 10 HG3 MET 10 8.013 -1.221 4.329
92 HE1 MET 10 HE1 MET 10 10.129 -3.596 7.679
93 HE2 MET 10 HE2 MET 10 9.406 -4.440 6.296
94 HE3 MET 10 HE3 MET 10 10.754 -3.308 6.041
95 H PHE 11 H PHE 11 9.114 -1.618 1.553
96 HA PHE 11 HA PHE 11 11.029 -3.373 0.278
97 HB2 PHE 11 HB2 PHE 11 10.869 -0.385 0.670
98 HB3 PHE 11 HB3 PHE 11 12.226 -1.171 -0.143
99 HD1 PHE 11 HD1 PHE 11 9.039 0.318 -0.682
100 HD2 PHE 11 HD2 PHE 11 11.619 -2.850 -2.091
101 HE1 PHE 11 HE1 PHE 11 7.841 0.293 -2.849
102 HE2 PHE 11 HE2 PHE 11 10.416 -2.856 -4.264
103 HZ PHE 11 HZ PHE 11 8.530 -1.278 -4.647
104 H ALA 12 H ALA 12 13.359 -3.340 0.582
105 HA ALA 12 HA ALA 12 14.153 -4.009 3.223
106 HB1 ALA 12 HB1 ALA 12 15.834 -3.228 0.798
107 HB2 ALA 12 HB2 ALA 12 16.410 -4.108 2.230
108 HB3 ALA 12 HB3 ALA 12 15.211 -4.856 1.160
109 H ASN 13 H ASN 13 14.064 -0.875 1.681
110 HA ASN 13 HA ASN 13 15.750 0.461 3.682
111 HB2 ASN 13 HB2 ASN 13 15.188 2.508 2.423
112 HB3 ASN 13 HB3 ASN 13 15.822 1.217 1.391
113 HD21 ASN 13 HD21 ASN 13 14.924 2.251 -0.432
114 H GLY 14 H GLY 14 12.683 -0.770 3.980
115 HA2 GLY 14 HA2 GLY 14 11.258 -0.534 5.792
116 HA3 GLY 14 HA3 GLY 14 12.046 0.983 6.258
117 H THR 15 H THR 15 10.952 0.725 2.941
118 HA THR 15 HA THR 15 8.820 2.741 3.446
119 HB THR 15 HB THR 15 9.990 1.689 0.849
120 HG1 THR 15 HG1 THR 15 11.488 2.807 1.772
121 HG21 THR 15 HG21 THR 15 7.791 2.527 0.365
122 HG22 THR 15 HG22 THR 15 8.057 3.979 1.370
123 HG23 THR 15 HG23 THR 15 8.966 3.744 -0.142
124 H VAL 16 H VAL 16 6.716 2.236 3.499
125 HA VAL 16 HA VAL 16 5.867 -0.552 2.938
126 HB VAL 16 HB VAL 16 4.550 1.766 4.396
127 HG11 VAL 16 HG11 VAL 16 2.732 0.436 3.420
128 HG12 VAL 16 HG12 VAL 16 3.475 -1.063 4.026
129 HG13 VAL 16 HG13 VAL 16 2.834 0.154 5.153
130 HG21 VAL 16 HG21 VAL 16 5.621 -0.915 5.383
131 HG22 VAL 16 HG22 VAL 16 6.410 0.662 5.618
132 HG23 VAL 16 HG23 VAL 16 4.847 0.331 6.382
133 H TYR 17 H TYR 17 4.308 -1.124 1.550
134 HA TYR 17 HA TYR 17 2.749 0.765 -0.060
135 HB2 TYR 17 HB2 TYR 17 3.581 0.030 -2.188
136 HB3 TYR 17 HB3 TYR 17 4.923 0.637 -1.276
137 HD1 TYR 17 HD1 TYR 17 6.510 -1.097 -0.119
138 HD2 TYR 17 HD2 TYR 17 3.677 -2.083 -3.220
139 HE1 TYR 17 HE1 TYR 17 7.855 -3.107 -0.725
140 HE2 TYR 17 HE2 TYR 17 5.018 -4.091 -3.812
141 HH TYR 17 HH TYR 17 6.967 -5.231 -3.445
142 H TYR 18 H TYR 18 1.653 -0.933 -1.855
143 HA TYR 18 HA TYR 18 0.591 -3.249 -0.271
144 HB2 TYR 18 HB2 TYR 18 -0.956 -1.446 -2.161
145 HB3 TYR 18 HB3 TYR 18 -1.598 -2.719 -1.113
146 HD1 TYR 18 HD1 TYR 18 -0.774 0.788 -1.384
147 HD2 TYR 18 HD2 TYR 18 -1.338 -2.398 1.464
148 HE1 TYR 18 HE1 TYR 18 -1.098 2.466 0.424
149 HE2 TYR 18 HE2 TYR 18 -1.724 -0.718 3.263
150 HH TYR 18 HH TYR 18 -1.406 2.790 2.667
151 H PHE 19 H PHE 19 0.154 -5.088 -1.408
152 HA PHE 19 HA PHE 19 1.088 -5.320 -4.242
153 HB2 PHE 19 HB2 PHE 19 2.982 -5.662 -2.760
154 HB3 PHE 19 HB3 PHE 19 2.063 -6.855 -1.821
155 HD1 PHE 19 HD1 PHE 19 3.288 -6.114 -5.259
156 HD2 PHE 19 HD2 PHE 19 2.164 -9.185 -2.447
157 HE1 PHE 19 HE1 PHE 19 4.034 -7.826 -6.853
158 HE2 PHE 19 HE2 PHE 19 2.978 -10.918 -4.029
159 HZ PHE 19 HZ PHE 19 3.918 -10.256 -6.234
160 H ASN 20 H ASN 20 0.034 -6.780 -5.474
161 HA ASN 20 HA ASN 20 -2.183 -8.316 -4.241
162 HB2 ASN 20 HB2 ASN 20 -2.551 -6.790 -6.201
163 HB3 ASN 20 HB3 ASN 20 -1.571 -7.890 -7.182
164 HD21 ASN 20 HD21 ASN 20 -4.672 -7.122 -6.671
165 HD22 ASN 20 HD22 ASN 20 -5.403 -8.712 -6.892
166 H HIS 21 H HIS 21 -1.765 -10.360 -3.624
167 HA HIS 21 HA HIS 21 0.660 -11.720 -4.459
168 HB2 HIS 21 HB2 HIS 21 0.226 -13.225 -2.795
169 HB3 HIS 21 HB3 HIS 21 -0.567 -11.780 -2.170
170 HD2 HIS 21 HD2 HIS 21 -3.172 -11.976 -1.664
171 HE1 HIS 21 HE1 HIS 21 -3.737 -16.009 -2.917
172 HE2 HIS 21 HE2 HIS 21 -4.804 -14.041 -1.708
173 H ILE 22 H ILE 22 -2.560 -11.728 -5.736
174 HA ILE 22 HA ILE 22 -2.386 -14.357 -7.037
175 HB ILE 22 HB ILE 22 -4.471 -12.143 -7.265
176 HG12 ILE 22 HG12 ILE 22 -4.439 -14.582 -5.424
177 HG13 ILE 22 HG13 ILE 22 -4.232 -12.897 -4.912
178 HG21 ILE 22 HG21 ILE 22 -4.550 -13.765 -9.125
179 HG22 ILE 22 HG22 ILE 22 -4.638 -15.105 -7.957
180 HG23 ILE 22 HG23 ILE 22 -5.959 -13.921 -8.095
181 HD11 ILE 22 HD11 ILE 22 -6.535 -12.392 -5.758
182 HD12 ILE 22 HD12 ILE 22 -6.770 -14.147 -5.978
183 HD13 ILE 22 HD13 ILE 22 -6.437 -13.490 -4.367
184 H THR 23 H THR 23 -2.274 -10.927 -7.927
185 HA THR 23 HA THR 23 -1.737 -11.602 -10.767
186 HB THR 23 HB THR 23 -2.737 -9.610 -11.418
187 HG1 THR 23 HG1 THR 23 -3.536 -8.293 -9.495
188 HG21 THR 23 HG21 THR 23 -4.433 -10.423 -9.014
189 HG22 THR 23 HG22 THR 23 -4.963 -9.636 -10.513
190 HG23 THR 23 HG23 THR 23 -4.392 -11.311 -10.553
191 H ASN 24 H ASN 24 0.058 -10.549 -8.170
192 HA ASN 24 HA ASN 24 2.046 -9.640 -7.849
193 HB2 ASN 24 HB2 ASN 24 2.613 -10.244 -10.769
194 HB3 ASN 24 HB3 ASN 24 3.815 -9.869 -9.526
195 HD21 ASN 24 HD21 ASN 24 2.431 -12.423 -11.140
196 HD22 ASN 24 HD22 ASN 24 2.766 -13.668 -9.932
197 H ALA 25 H ALA 25 -0.225 -7.888 -9.045
198 HA ALA 25 HA ALA 25 1.130 -5.513 -10.003
199 HB1 ALA 25 HB1 ALA 25 -1.252 -6.014 -10.462
200 HB2 ALA 25 HB2 ALA 25 -1.614 -5.879 -8.726
201 HB3 ALA 25 HB3 ALA 25 -1.058 -4.457 -9.633
202 H SER 26 H SER 26 1.388 -3.501 -8.840
203 HA SER 26 HA SER 26 1.444 -3.619 -5.882
204 HB2 SER 26 HB2 SER 26 3.699 -2.732 -5.764
205 HB3 SER 26 HB3 SER 26 3.670 -4.314 -6.556
206 HG SER 26 HG SER 26 4.995 -2.844 -7.677
207 H GLN 27 H GLN 27 1.336 -1.615 -4.825
208 HA GLN 27 HA GLN 27 1.118 0.892 -6.368
209 HB2 GLN 27 HB2 GLN 27 -1.232 -0.432 -4.957
210 HB3 GLN 27 HB3 GLN 27 -1.098 1.324 -5.069
211 HG2 GLN 27 HG2 GLN 27 -0.907 1.159 -7.534
212 HG3 GLN 27 HG3 GLN 27 -1.304 -0.566 -7.423
213 HE21 GLN 27 HE21 GLN 27 -4.359 1.885 -7.721
214 HE22 GLN 27 HE22 GLN 27 -2.731 2.157 -8.353
215 H PHE 28 H PHE 28 1.662 2.668 -5.238
216 HA PHE 28 HA PHE 28 2.387 2.431 -2.400
217 HB2 PHE 28 HB2 PHE 28 2.641 4.683 -4.394
218 HB3 PHE 28 HB3 PHE 28 3.003 4.860 -2.675
219 HD1 PHE 28 HD1 PHE 28 4.850 3.523 -1.589
220 HD2 PHE 28 HD2 PHE 28 4.225 3.587 -5.862
221 HE1 PHE 28 HE1 PHE 28 7.167 2.707 -1.950
222 HE2 PHE 28 HE2 PHE 28 6.543 2.767 -6.211
223 HZ PHE 28 HZ PHE 28 8.020 2.339 -4.254
224 H GLU 29 H GLU 29 -0.315 3.632 -4.218
225 HA GLU 29 HA GLU 29 -1.592 4.913 -1.884
226 HB2 GLU 29 HB2 GLU 29 -1.835 6.101 -3.923
227 HB3 GLU 29 HB3 GLU 29 -2.214 4.645 -4.827
228 HG2 GLU 29 HG2 GLU 29 -4.138 6.023 -4.667
229 HG3 GLU 29 HG3 GLU 29 -4.423 4.503 -3.840
230 H ARG 30 H ARG 30 -3.551 4.192 -0.994
231 HA ARG 30 HA ARG 30 -3.720 1.424 -0.448
232 HB2 ARG 30 HB2 ARG 30 -5.094 3.857 0.335
233 HB3 ARG 30 HB3 ARG 30 -6.300 2.634 0.019
234 HG2 ARG 30 HG2 ARG 30 -3.990 2.444 1.975
235 HG3 ARG 30 HG3 ARG 30 -5.703 2.666 2.356
236 HD2 ARG 30 HD2 ARG 30 -4.374 0.171 1.243
237 HD3 ARG 30 HD3 ARG 30 -5.075 0.381 2.829
238 HE ARG 30 HE ARG 30 -6.523 -0.059 0.273
239 HH11 ARG 30 HH11 ARG 30 -8.573 -0.574 0.282
240 HH12 ARG 30 HH12 ARG 30 -9.532 -0.540 1.756
241 HH21 ARG 30 HH21 ARG 30 -6.949 0.665 3.690
242 HH22 ARG 30 HH22 ARG 30 -8.622 0.177 3.644
243 HA PRO 31 HA PRO 31 -6.124 0.153 -4.124
244 HB2 PRO 31 HB2 PRO 31 -6.231 -2.538 -3.640
245 HB3 PRO 31 HB3 PRO 31 -4.773 -1.720 -4.279
246 HG2 PRO 31 HG2 PRO 31 -5.384 -2.446 -1.401
247 HG3 PRO 31 HG3 PRO 31 -3.879 -2.762 -2.324
248 HD2 PRO 31 HD2 PRO 31 -4.083 -0.646 -0.669
249 HD3 PRO 31 HD3 PRO 31 -3.224 -0.504 -2.228
250 H SER 32 H SER 32 -8.304 -0.448 -4.441
251 HA SER 32 HA SER 32 -10.032 -1.097 -2.138
252 HB2 SER 32 HB2 SER 32 -11.508 0.806 -2.501
253 HB3 SER 32 HB3 SER 32 -9.880 1.349 -2.074
254 HG SER 32 HG SER 32 -10.731 2.537 -3.821
255 H GLY 33 H GLY 33 -12.262 -1.549 -2.755
256 HA2 GLY 33 HA2 GLY 33 -13.264 -1.892 -5.370
257 HA3 GLY 33 HA3 GLY 33 -12.456 -3.400 -4.933
258 H1' ALL 101 H1 ALL 34 11.993 1.800 -0.762
259 H2' ALL 101 H2 ALL 34 13.881 3.707 -2.259
260 H3' ALL 101 H3 ALL 34 11.966 4.302 -3.661
261 H4' ALL 101 H4 ALL 34 13.306 2.469 -4.528
262 H5' ALL 101 H5 ALL 34 11.535 0.548 -2.959
263 H6'1 ALL 101 H62 ALL 34 12.621 -0.284 -5.156
264 H6'2 ALL 101 H61 ALL 34 12.996 -1.202 -3.684
265 HO'2 ALL 101 H2O ALL 34 12.977 4.481 -0.217
266 HO'3 ALL 101 H3O ALL 34 10.386 3.807 -1.992
267 HO'4 ALL 101 H4O ALL 34 10.490 2.201 -4.616
268 HO'6 ALL 101 H6O ALL 34 14.871 0.216 -3.476
Start of MODEL 6
1 H1 LYS 1 H1 LYS 1 -11.184 -4.719 6.082
2 H2 LYS 1 H2 LYS 1 -11.387 -3.671 4.838
3 H3 LYS 1 H3 LYS 1 -11.228 -5.278 4.542
4 HA LYS 1 HA LYS 1 -9.175 -3.525 5.711
5 HB2 LYS 1 HB2 LYS 1 -8.898 -5.761 6.570
6 HB3 LYS 1 HB3 LYS 1 -8.999 -6.462 4.952
7 HG2 LYS 1 HG2 LYS 1 -6.897 -5.336 4.308
8 HG3 LYS 1 HG3 LYS 1 -6.798 -4.566 5.901
9 HD2 LYS 1 HD2 LYS 1 -6.467 -6.735 6.970
10 HD3 LYS 1 HD3 LYS 1 -6.812 -7.584 5.443
11 HE2 LYS 1 HE2 LYS 1 -4.866 -6.457 4.383
12 HE3 LYS 1 HE3 LYS 1 -4.479 -5.666 5.915
13 HZ1 LYS 1 HZ1 LYS 1 -3.200 -7.718 5.434
14 HZ2 LYS 1 HZ2 LYS 1 -4.006 -7.812 6.869
15 HZ3 LYS 1 HZ3 LYS 1 -4.560 -8.610 5.548
16 H LEU 2 H LEU 2 -9.354 -5.669 2.829
17 HA LEU 2 HA LEU 2 -8.643 -3.462 1.002
18 HB2 LEU 2 HB2 LEU 2 -6.887 -5.846 1.735
19 HB3 LEU 2 HB3 LEU 2 -6.721 -5.038 0.182
20 HG LEU 2 HG LEU 2 -6.332 -3.593 2.825
21 HD11 LEU 2 HD11 LEU 2 -4.657 -5.394 2.490
22 HD12 LEU 2 HD12 LEU 2 -4.248 -4.699 0.909
23 HD13 LEU 2 HD13 LEU 2 -3.950 -3.773 2.398
24 HD21 LEU 2 HD21 LEU 2 -6.895 -2.120 0.890
25 HD22 LEU 2 HD22 LEU 2 -5.223 -1.908 1.419
26 HD23 LEU 2 HD23 LEU 2 -5.577 -2.866 -0.037
27 HA PRO 3 HA PRO 3 -10.890 -6.024 -1.893
28 HB2 PRO 3 HB2 PRO 3 -8.947 -5.540 -4.085
29 HB3 PRO 3 HB3 PRO 3 -10.662 -5.058 -3.965
30 HG2 PRO 3 HG2 PRO 3 -8.594 -3.259 -3.750
31 HG3 PRO 3 HG3 PRO 3 -10.139 -3.081 -2.861
32 HD2 PRO 3 HD2 PRO 3 -7.504 -4.186 -1.863
33 HD3 PRO 3 HD3 PRO 3 -8.629 -3.048 -1.064
34 HA PRO 4 HA PRO 4 -9.340 -10.108 -2.270
35 HB2 PRO 4 HB2 PRO 4 -9.852 -10.075 -5.253
36 HB3 PRO 4 HB3 PRO 4 -10.277 -11.333 -4.047
37 HG2 PRO 4 HG2 PRO 4 -12.163 -9.587 -4.874
38 HG3 PRO 4 HG3 PRO 4 -12.013 -9.954 -3.121
39 HD2 PRO 4 HD2 PRO 4 -10.941 -7.562 -4.643
40 HD3 PRO 4 HD3 PRO 4 -11.804 -7.613 -3.074
41 H GLY 5 H GLY 5 -7.374 -10.920 -2.195
42 HA2 GLY 5 HA2 GLY 5 -5.250 -11.588 -2.802
43 HA3 GLY 5 HA3 GLY 5 -5.391 -10.688 -4.322
44 H TRP 6 H TRP 6 -6.066 -8.186 -2.477
45 HA TRP 6 HA TRP 6 -3.326 -7.224 -2.450
46 HB2 TRP 6 HB2 TRP 6 -5.938 -5.959 -1.658
47 HB3 TRP 6 HB3 TRP 6 -4.376 -5.142 -1.510
48 HD1 TRP 6 HD1 TRP 6 -6.898 -6.311 -4.079
49 HE1 TRP 6 HE1 TRP 6 -6.398 -5.268 -6.374
50 HE3 TRP 6 HE3 TRP 6 -2.294 -4.335 -3.058
51 HZ2 TRP 6 HZ2 TRP 6 -4.143 -4.059 -7.677
52 HZ3 TRP 6 HZ3 TRP 6 -0.960 -3.276 -4.875
53 HH2 TRP 6 HH2 TRP 6 -1.859 -3.145 -7.182
54 H GLU 7 H GLU 7 -1.931 -6.888 -0.875
55 HA GLU 7 HA GLU 7 -2.655 -6.908 1.975
56 HB2 GLU 7 HB2 GLU 7 -2.392 -9.251 1.605
57 HB3 GLU 7 HB3 GLU 7 -0.990 -9.016 0.581
58 HG2 GLU 7 HG2 GLU 7 -0.385 -10.055 2.656
59 HG3 GLU 7 HG3 GLU 7 0.418 -8.512 2.460
60 H LYS 8 H LYS 8 -0.954 -6.091 3.344
61 HA LYS 8 HA LYS 8 0.668 -4.020 2.095
62 HB2 LYS 8 HB2 LYS 8 0.352 -4.986 4.941
63 HB3 LYS 8 HB3 LYS 8 1.653 -3.870 4.497
64 HG2 LYS 8 HG2 LYS 8 0.051 -2.274 3.554
65 HG3 LYS 8 HG3 LYS 8 -1.285 -3.379 3.896
66 HD2 LYS 8 HD2 LYS 8 -1.276 -1.684 5.594
67 HD3 LYS 8 HD3 LYS 8 -0.740 -3.192 6.353
68 HE2 LYS 8 HE2 LYS 8 1.639 -2.426 6.128
69 HE3 LYS 8 HE3 LYS 8 1.073 -0.938 5.364
70 HZ1 LYS 8 HZ1 LYS 8 0.413 -1.780 8.135
71 HZ2 LYS 8 HZ2 LYS 8 1.489 -0.621 7.736
72 HZ3 LYS 8 HZ3 LYS 8 -0.098 -0.397 7.428
73 H ARG 9 H ARG 9 2.760 -3.746 1.903
74 HA ARG 9 HA ARG 9 4.692 -5.988 2.218
75 HB2 ARG 9 HB2 ARG 9 3.437 -5.929 -0.079
76 HB3 ARG 9 HB3 ARG 9 4.316 -4.441 -0.383
77 HG2 ARG 9 HG2 ARG 9 5.432 -6.231 -1.491
78 HG3 ARG 9 HG3 ARG 9 6.474 -5.755 -0.137
79 HD2 ARG 9 HD2 ARG 9 5.606 -7.687 1.175
80 HD3 ARG 9 HD3 ARG 9 4.556 -8.140 -0.180
81 HE ARG 9 HE ARG 9 7.445 -8.566 0.094
82 HH11 ARG 9 HH11 ARG 9 8.528 -9.770 -1.409
83 HH12 ARG 9 HH12 ARG 9 7.780 -10.131 -2.941
84 HH21 ARG 9 HH21 ARG 9 4.865 -8.460 -2.291
85 HH22 ARG 9 HH22 ARG 9 5.770 -9.417 -3.427
86 H MET 10 H MET 10 6.989 -5.178 1.869
87 HA MET 10 HA MET 10 7.350 -2.277 2.165
88 HB2 MET 10 HB2 MET 10 6.719 -3.145 4.457
89 HB3 MET 10 HB3 MET 10 8.185 -4.145 4.416
90 HG2 MET 10 HG2 MET 10 9.521 -2.004 4.137
91 HG3 MET 10 HG3 MET 10 8.012 -1.112 4.295
92 HE1 MET 10 HE1 MET 10 10.302 -3.313 7.646
93 HE2 MET 10 HE2 MET 10 9.630 -4.216 6.273
94 HE3 MET 10 HE3 MET 10 10.893 -2.993 6.001
95 H PHE 11 H PHE 11 9.239 -1.561 1.530
96 HA PHE 11 HA PHE 11 11.255 -3.286 0.368
97 HB2 PHE 11 HB2 PHE 11 10.985 -0.299 0.690
98 HB3 PHE 11 HB3 PHE 11 12.401 -1.056 -0.047
99 HD1 PHE 11 HD1 PHE 11 9.145 0.277 -0.729
100 HD2 PHE 11 HD2 PHE 11 11.979 -2.726 -2.016
101 HE1 PHE 11 HE1 PHE 11 8.049 0.177 -2.942
102 HE2 PHE 11 HE2 PHE 11 10.870 -2.808 -4.238
103 HZ PHE 11 HZ PHE 11 8.908 -1.350 -4.706
104 H ALA 12 H ALA 12 13.553 -3.230 0.795
105 HA ALA 12 HA ALA 12 14.209 -3.800 3.495
106 HB1 ALA 12 HB1 ALA 12 15.369 -4.721 1.521
107 HB2 ALA 12 HB2 ALA 12 16.016 -3.109 1.134
108 HB3 ALA 12 HB3 ALA 12 16.514 -3.938 2.624
109 H ASN 13 H ASN 13 14.178 -0.719 1.865
110 HA ASN 13 HA ASN 13 15.809 0.696 3.851
111 HB2 ASN 13 HB2 ASN 13 15.221 2.692 2.524
112 HB3 ASN 13 HB3 ASN 13 15.865 1.382 1.524
113 HD21 ASN 13 HD21 ASN 13 14.899 2.565 -0.257
114 H GLY 14 H GLY 14 12.702 -0.533 4.081
115 HA2 GLY 14 HA2 GLY 14 11.218 -0.243 5.851
116 HA3 GLY 14 HA3 GLY 14 11.982 1.295 6.290
117 H THR 15 H THR 15 10.990 0.827 2.944
118 HA THR 15 HA THR 15 8.816 2.842 3.271
119 HB THR 15 HB THR 15 9.985 1.676 0.732
120 HG1 THR 15 HG1 THR 15 11.490 2.804 1.771
121 HG21 THR 15 HG21 THR 15 8.973 3.784 -0.265
122 HG22 THR 15 HG22 THR 15 7.842 2.508 0.193
123 HG23 THR 15 HG23 THR 15 8.037 3.947 1.233
124 H VAL 16 H VAL 16 6.731 2.266 3.383
125 HA VAL 16 HA VAL 16 5.943 -0.553 2.881
126 HB VAL 16 HB VAL 16 4.604 1.783 4.291
127 HG11 VAL 16 HG11 VAL 16 2.780 0.465 3.317
128 HG12 VAL 16 HG12 VAL 16 3.506 -1.039 3.935
129 HG13 VAL 16 HG13 VAL 16 2.872 0.193 5.051
130 HG21 VAL 16 HG21 VAL 16 6.442 0.668 5.540
131 HG22 VAL 16 HG22 VAL 16 4.867 0.370 6.292
132 HG23 VAL 16 HG23 VAL 16 5.628 -0.900 5.318
133 H TYR 17 H TYR 17 4.397 -1.183 1.489
134 HA TYR 17 HA TYR 17 2.812 0.670 -0.137
135 HB2 TYR 17 HB2 TYR 17 3.648 -0.080 -2.263
136 HB3 TYR 17 HB3 TYR 17 4.973 0.567 -1.346
137 HD1 TYR 17 HD1 TYR 17 6.643 -1.048 -0.233
138 HD2 TYR 17 HD2 TYR 17 3.750 -2.271 -3.195
139 HE1 TYR 17 HE1 TYR 17 8.066 -2.998 -0.826
140 HE2 TYR 17 HE2 TYR 17 5.169 -4.235 -3.766
141 HH TYR 17 HH TYR 17 8.386 -4.714 -2.292
142 H TYR 18 H TYR 18 1.696 -0.956 -1.901
143 HA TYR 18 HA TYR 18 0.578 -3.256 -0.360
144 HB2 TYR 18 HB2 TYR 18 -0.859 -1.324 -2.211
145 HB3 TYR 18 HB3 TYR 18 -1.570 -2.741 -1.423
146 HD1 TYR 18 HD1 TYR 18 -0.165 0.646 -0.862
147 HD2 TYR 18 HD2 TYR 18 -2.148 -2.733 0.951
148 HE1 TYR 18 HE1 TYR 18 -0.473 1.957 1.217
149 HE2 TYR 18 HE2 TYR 18 -2.525 -1.387 3.018
150 HH TYR 18 HH TYR 18 -1.224 1.916 3.387
151 H PHE 19 H PHE 19 0.215 -5.146 -1.389
152 HA PHE 19 HA PHE 19 1.055 -5.437 -4.242
153 HB2 PHE 19 HB2 PHE 19 3.013 -5.784 -2.850
154 HB3 PHE 19 HB3 PHE 19 2.127 -6.944 -1.844
155 HD1 PHE 19 HD1 PHE 19 3.242 -6.281 -5.328
156 HD2 PHE 19 HD2 PHE 19 2.057 -9.292 -2.475
157 HE1 PHE 19 HE1 PHE 19 3.834 -8.028 -6.949
158 HE2 PHE 19 HE2 PHE 19 2.729 -11.062 -4.080
159 HZ PHE 19 HZ PHE 19 3.614 -10.449 -6.323
160 H ASN 20 H ASN 20 -0.055 -6.894 -5.420
161 HA ASN 20 HA ASN 20 -2.230 -8.395 -4.061
162 HB2 ASN 20 HB2 ASN 20 -2.699 -6.822 -5.970
163 HB3 ASN 20 HB3 ASN 20 -1.838 -7.949 -7.033
164 HD21 ASN 20 HD21 ASN 20 -4.857 -7.094 -6.184
165 HD22 ASN 20 HD22 ASN 20 -5.667 -8.651 -6.269
166 H HIS 21 H HIS 21 -1.794 -10.448 -3.493
167 HA HIS 21 HA HIS 21 0.517 -11.850 -4.535
168 HB2 HIS 21 HB2 HIS 21 0.182 -13.359 -2.861
169 HB3 HIS 21 HB3 HIS 21 -0.570 -11.926 -2.166
170 HD2 HIS 21 HD2 HIS 21 -3.131 -12.143 -1.487
171 HE1 HIS 21 HE1 HIS 21 -3.783 -16.143 -2.804
172 HE2 HIS 21 HE2 HIS 21 -4.765 -14.207 -1.474
173 H ILE 22 H ILE 22 -2.793 -11.776 -5.575
174 HA ILE 22 HA ILE 22 -2.742 -14.376 -6.949
175 HB ILE 22 HB ILE 22 -4.801 -12.125 -6.946
176 HG12 ILE 22 HG12 ILE 22 -4.695 -14.682 -5.267
177 HG13 ILE 22 HG13 ILE 22 -4.409 -13.040 -4.665
178 HG21 ILE 22 HG21 ILE 22 -5.048 -13.621 -8.889
179 HG22 ILE 22 HG22 ILE 22 -5.063 -15.035 -7.810
180 HG23 ILE 22 HG23 ILE 22 -6.378 -13.836 -7.768
181 HD11 ILE 22 HD11 ILE 22 -6.762 -12.439 -5.332
182 HD12 ILE 22 HD12 ILE 22 -7.045 -14.177 -5.608
183 HD13 ILE 22 HD13 ILE 22 -6.582 -13.597 -3.998
184 H THR 23 H THR 23 -2.644 -10.927 -7.758
185 HA THR 23 HA THR 23 -2.308 -11.536 -10.641
186 HB THR 23 HB THR 23 -3.289 -9.504 -11.173
187 HG1 THR 23 HG1 THR 23 -3.904 -8.234 -9.130
188 HG21 THR 23 HG21 THR 23 -5.441 -9.470 -10.104
189 HG22 THR 23 HG22 THR 23 -4.936 -11.163 -10.215
190 HG23 THR 23 HG23 THR 23 -4.831 -10.303 -8.662
191 H ASN 24 H ASN 24 -0.308 -10.618 -8.147
192 HA ASN 24 HA ASN 24 1.732 -9.796 -7.934
193 HB2 ASN 24 HB2 ASN 24 2.073 -10.384 -10.892
194 HB3 ASN 24 HB3 ASN 24 3.377 -10.043 -9.746
195 HD21 ASN 24 HD21 ASN 24 1.794 -12.560 -11.238
196 HD22 ASN 24 HD22 ASN 24 2.190 -13.812 -10.056
197 H ALA 25 H ALA 25 -0.531 -7.926 -8.951
198 HA ALA 25 HA ALA 25 0.853 -5.603 -9.979
199 HB1 ALA 25 HB1 ALA 25 -1.570 -5.998 -10.283
200 HB2 ALA 25 HB2 ALA 25 -1.814 -5.871 -8.526
201 HB3 ALA 25 HB3 ALA 25 -1.261 -4.460 -9.453
202 H SER 26 H SER 26 1.343 -3.645 -8.859
203 HA SER 26 HA SER 26 1.454 -3.709 -5.903
204 HB2 SER 26 HB2 SER 26 3.732 -2.853 -5.851
205 HB3 SER 26 HB3 SER 26 3.653 -4.462 -6.575
206 HG SER 26 HG SER 26 4.988 -3.068 -7.781
207 H GLN 27 H GLN 27 1.411 -1.683 -4.885
208 HA GLN 27 HA GLN 27 1.169 0.805 -6.440
209 HB2 GLN 27 HB2 GLN 27 -1.019 -0.196 -6.800
210 HB3 GLN 27 HB3 GLN 27 -1.182 -0.557 -5.082
211 HG2 GLN 27 HG2 GLN 27 -2.586 1.312 -5.665
212 HG3 GLN 27 HG3 GLN 27 -1.319 1.815 -4.555
213 HE21 GLN 27 HE21 GLN 27 -2.092 1.768 -8.096
214 HE22 GLN 27 HE22 GLN 27 -1.152 3.224 -8.437
215 H PHE 28 H PHE 28 1.275 2.668 -5.180
216 HA PHE 28 HA PHE 28 2.205 2.308 -2.384
217 HB2 PHE 28 HB2 PHE 28 2.499 4.593 -4.333
218 HB3 PHE 28 HB3 PHE 28 2.902 4.714 -2.617
219 HD1 PHE 28 HD1 PHE 28 4.793 3.427 -1.622
220 HD2 PHE 28 HD2 PHE 28 3.938 3.340 -5.854
221 HE1 PHE 28 HE1 PHE 28 7.067 2.535 -2.072
222 HE2 PHE 28 HE2 PHE 28 6.212 2.443 -6.292
223 HZ PHE 28 HZ PHE 28 7.782 2.053 -4.405
224 H GLU 29 H GLU 29 -0.292 4.185 -4.096
225 HA GLU 29 HA GLU 29 -1.412 5.279 -1.613
226 HB2 GLU 29 HB2 GLU 29 -1.539 6.513 -3.714
227 HB3 GLU 29 HB3 GLU 29 -2.461 5.201 -4.469
228 HG2 GLU 29 HG2 GLU 29 -4.311 5.552 -2.870
229 HG3 GLU 29 HG3 GLU 29 -3.373 6.796 -2.037
230 H ARG 30 H ARG 30 -2.757 4.180 -0.231
231 HA ARG 30 HA ARG 30 -3.119 1.465 -0.601
232 HB2 ARG 30 HB2 ARG 30 -4.374 1.339 1.364
233 HB3 ARG 30 HB3 ARG 30 -3.072 2.485 1.575
234 HG2 ARG 30 HG2 ARG 30 -4.397 4.272 1.931
235 HG3 ARG 30 HG3 ARG 30 -5.704 3.722 0.867
236 HD2 ARG 30 HD2 ARG 30 -5.074 2.551 3.597
237 HD3 ARG 30 HD3 ARG 30 -6.380 3.698 3.243
238 HE ARG 30 HE ARG 30 -6.845 1.646 1.450
239 HH11 ARG 30 HH11 ARG 30 -7.974 -0.100 1.652
240 HH12 ARG 30 HH12 ARG 30 -8.205 -0.915 3.188
241 HH21 ARG 30 HH21 ARG 30 -6.502 1.538 4.953
242 HH22 ARG 30 HH22 ARG 30 -7.440 0.066 5.047
243 HA PRO 31 HA PRO 31 -6.806 0.950 -3.123
244 HB2 PRO 31 HB2 PRO 31 -6.899 -1.726 -1.763
245 HB3 PRO 31 HB3 PRO 31 -7.016 -1.349 -3.510
246 HG2 PRO 31 HG2 PRO 31 -4.725 -2.362 -2.470
247 HG3 PRO 31 HG3 PRO 31 -4.651 -1.018 -3.660
248 HD2 PRO 31 HD2 PRO 31 -4.468 -0.851 -0.632
249 HD3 PRO 31 HD3 PRO 31 -3.455 -0.073 -1.877
250 H SER 32 H SER 32 -9.139 0.771 -2.803
251 HA SER 32 HA SER 32 -10.084 1.699 -0.218
252 HB2 SER 32 HB2 SER 32 -11.090 2.413 -2.350
253 HB3 SER 32 HB3 SER 32 -11.643 0.753 -2.649
254 HG SER 32 HG SER 32 -13.254 2.096 -1.692
255 H GLY 33 H GLY 33 -11.148 0.612 1.415
256 HA2 GLY 33 HA2 GLY 33 -12.447 -1.878 1.320
257 HA3 GLY 33 HA3 GLY 33 -10.771 -2.221 1.745
258 H1' ALL 101 H1 ALL 34 12.014 1.881 -0.607
259 H2' ALL 101 H2 ALL 34 13.702 4.045 -1.977
260 H3' ALL 101 H3 ALL 34 11.741 4.572 -3.327
261 H4' ALL 101 H4 ALL 34 13.241 2.923 -4.305
262 H5' ALL 101 H5 ALL 34 11.624 0.768 -2.875
263 H6'1 ALL 101 H62 ALL 34 12.740 0.159 -5.131
264 H6'2 ALL 101 H61 ALL 34 13.187 -0.824 -3.723
265 HO'2 ALL 101 H2O ALL 34 11.646 4.163 -0.011
266 HO'3 ALL 101 H3O ALL 34 10.065 3.954 -1.959
267 HO'4 ALL 101 H4O ALL 34 10.457 2.423 -4.445
268 HO'6 ALL 101 H6O ALL 34 14.965 0.706 -3.434
Start of MODEL 7
1 H1 LYS 1 H1 LYS 1 -11.865 -4.421 4.360
2 H2 LYS 1 H2 LYS 1 -11.532 -5.272 5.714
3 H3 LYS 1 H3 LYS 1 -11.157 -5.896 4.250
4 HA LYS 1 HA LYS 1 -9.970 -3.494 5.479
5 HB2 LYS 1 HB2 LYS 1 -9.256 -5.655 6.531
6 HB3 LYS 1 HB3 LYS 1 -8.604 -6.168 4.973
7 HG2 LYS 1 HG2 LYS 1 -7.127 -4.058 5.032
8 HG3 LYS 1 HG3 LYS 1 -7.752 -3.767 6.655
9 HD2 LYS 1 HD2 LYS 1 -5.650 -4.820 6.934
10 HD3 LYS 1 HD3 LYS 1 -6.848 -6.069 7.306
11 HE2 LYS 1 HE2 LYS 1 -6.568 -7.000 5.002
12 HE3 LYS 1 HE3 LYS 1 -5.425 -5.702 4.625
13 HZ1 LYS 1 HZ1 LYS 1 -3.992 -6.584 6.416
14 HZ2 LYS 1 HZ2 LYS 1 -5.015 -7.844 6.631
15 HZ3 LYS 1 HZ3 LYS 1 -4.213 -7.660 5.210
16 H LEU 2 H LEU 2 -9.196 -5.825 2.842
17 HA LEU 2 HA LEU 2 -8.736 -3.580 0.954
18 HB2 LEU 2 HB2 LEU 2 -6.870 -5.860 1.727
19 HB3 LEU 2 HB3 LEU 2 -6.718 -5.054 0.169
20 HG LEU 2 HG LEU 2 -6.537 -3.539 2.798
21 HD11 LEU 2 HD11 LEU 2 -4.108 -3.563 2.472
22 HD12 LEU 2 HD12 LEU 2 -4.716 -5.222 2.626
23 HD13 LEU 2 HD13 LEU 2 -4.289 -4.584 1.027
24 HD21 LEU 2 HD21 LEU 2 -5.456 -1.830 1.393
25 HD22 LEU 2 HD22 LEU 2 -5.653 -2.871 -0.038
26 HD23 LEU 2 HD23 LEU 2 -7.071 -2.179 0.763
27 HA PRO 3 HA PRO 3 -10.883 -6.159 -1.958
28 HB2 PRO 3 HB2 PRO 3 -8.941 -5.587 -4.131
29 HB3 PRO 3 HB3 PRO 3 -10.670 -5.156 -4.018
30 HG2 PRO 3 HG2 PRO 3 -8.657 -3.307 -3.761
31 HG3 PRO 3 HG3 PRO 3 -10.211 -3.185 -2.864
32 HD2 PRO 3 HD2 PRO 3 -7.550 -4.237 -1.884
33 HD3 PRO 3 HD3 PRO 3 -8.705 -3.133 -1.077
34 HA PRO 4 HA PRO 4 -9.258 -10.198 -2.376
35 HB2 PRO 4 HB2 PRO 4 -9.723 -10.127 -5.365
36 HB3 PRO 4 HB3 PRO 4 -10.131 -11.418 -4.188
37 HG2 PRO 4 HG2 PRO 4 -12.051 -9.703 -5.004
38 HG3 PRO 4 HG3 PRO 4 -11.910 -10.098 -3.257
39 HD2 PRO 4 HD2 PRO 4 -10.887 -7.652 -4.724
40 HD3 PRO 4 HD3 PRO 4 -11.757 -7.756 -3.161
41 H GLY 5 H GLY 5 -7.268 -10.906 -2.219
42 HA2 GLY 5 HA2 GLY 5 -5.123 -11.541 -2.776
43 HA3 GLY 5 HA3 GLY 5 -5.251 -10.670 -4.313
44 H TRP 6 H TRP 6 -6.003 -8.123 -2.604
45 HA TRP 6 HA TRP 6 -3.278 -7.126 -2.488
46 HB2 TRP 6 HB2 TRP 6 -5.921 -5.867 -1.782
47 HB3 TRP 6 HB3 TRP 6 -4.366 -5.040 -1.638
48 HD1 TRP 6 HD1 TRP 6 -6.854 -6.303 -4.194
49 HE1 TRP 6 HE1 TRP 6 -6.381 -5.285 -6.503
50 HE3 TRP 6 HE3 TRP 6 -2.351 -4.054 -3.189
51 HZ2 TRP 6 HZ2 TRP 6 -4.198 -3.990 -7.815
52 HZ3 TRP 6 HZ3 TRP 6 -1.138 -2.832 -5.002
53 HH2 TRP 6 HH2 TRP 6 -2.014 -2.854 -7.320
54 H GLU 7 H GLU 7 -1.924 -6.903 -0.876
55 HA GLU 7 HA GLU 7 -2.812 -6.716 1.943
56 HB2 GLU 7 HB2 GLU 7 -0.769 -8.704 0.864
57 HB3 GLU 7 HB3 GLU 7 -0.866 -8.258 2.558
58 HG2 GLU 7 HG2 GLU 7 -3.070 -9.639 0.980
59 HG3 GLU 7 HG3 GLU 7 -1.943 -10.404 2.084
60 H LYS 8 H LYS 8 -1.096 -5.891 3.372
61 HA LYS 8 HA LYS 8 0.534 -3.803 2.165
62 HB2 LYS 8 HB2 LYS 8 0.237 -4.846 4.989
63 HB3 LYS 8 HB3 LYS 8 1.554 -3.745 4.553
64 HG2 LYS 8 HG2 LYS 8 -0.025 -2.086 3.692
65 HG3 LYS 8 HG3 LYS 8 -1.381 -3.172 4.011
66 HD2 LYS 8 HD2 LYS 8 -1.328 -1.547 5.770
67 HD3 LYS 8 HD3 LYS 8 -0.793 -3.084 6.470
68 HE2 LYS 8 HE2 LYS 8 1.590 -2.328 6.220
69 HE3 LYS 8 HE3 LYS 8 1.018 -0.806 5.528
70 HZ1 LYS 8 HZ1 LYS 8 1.487 -0.588 7.900
71 HZ2 LYS 8 HZ2 LYS 8 -0.107 -0.345 7.638
72 HZ3 LYS 8 HZ3 LYS 8 0.413 -1.757 8.277
73 H ARG 9 H ARG 9 2.635 -3.587 1.962
74 HA ARG 9 HA ARG 9 4.486 -5.914 2.123
75 HB2 ARG 9 HB2 ARG 9 3.112 -5.521 -0.166
76 HB3 ARG 9 HB3 ARG 9 4.284 -4.244 -0.402
77 HG2 ARG 9 HG2 ARG 9 5.024 -6.197 -1.564
78 HG3 ARG 9 HG3 ARG 9 6.119 -5.999 -0.180
79 HD2 ARG 9 HD2 ARG 9 4.983 -7.788 1.028
80 HD3 ARG 9 HD3 ARG 9 3.686 -7.831 -0.191
81 HE ARG 9 HE ARG 9 6.364 -8.334 -1.266
82 HH11 ARG 9 HH11 ARG 9 6.747 -10.278 -2.255
83 HH12 ARG 9 HH12 ARG 9 5.691 -11.630 -1.959
84 HH21 ARG 9 HH21 ARG 9 3.600 -9.946 0.171
85 HH22 ARG 9 HH22 ARG 9 3.956 -11.452 -0.633
86 H MET 10 H MET 10 6.790 -5.170 1.670
87 HA MET 10 HA MET 10 7.310 -2.336 2.309
88 HB2 MET 10 HB2 MET 10 7.985 -4.604 4.225
89 HB3 MET 10 HB3 MET 10 8.643 -2.959 4.326
90 HG2 MET 10 HG2 MET 10 6.297 -2.100 4.521
91 HG3 MET 10 HG3 MET 10 5.743 -3.767 4.685
92 HE1 MET 10 HE1 MET 10 7.219 -4.893 8.112
93 HE2 MET 10 HE2 MET 10 6.195 -5.320 6.724
94 HE3 MET 10 HE3 MET 10 7.958 -5.173 6.523
95 H PHE 11 H PHE 11 9.187 -1.610 1.738
96 HA PHE 11 HA PHE 11 11.143 -3.274 0.342
97 HB2 PHE 11 HB2 PHE 11 10.853 -0.302 0.757
98 HB3 PHE 11 HB3 PHE 11 12.255 -1.024 -0.038
99 HD1 PHE 11 HD1 PHE 11 8.945 0.254 -0.582
100 HD2 PHE 11 HD2 PHE 11 11.823 -2.617 -2.051
101 HE1 PHE 11 HE1 PHE 11 7.780 0.186 -2.765
102 HE2 PHE 11 HE2 PHE 11 10.646 -2.667 -4.239
103 HZ PHE 11 HZ PHE 11 8.628 -1.257 -4.600
104 H ALA 12 H ALA 12 13.430 -3.260 0.708
105 HA ALA 12 HA ALA 12 14.189 -3.825 3.387
106 HB1 ALA 12 HB1 ALA 12 15.257 -4.774 1.375
107 HB2 ALA 12 HB2 ALA 12 15.899 -3.169 0.946
108 HB3 ALA 12 HB3 ALA 12 16.455 -3.990 2.422
109 H ASN 13 H ASN 13 14.110 -0.761 1.725
110 HA ASN 13 HA ASN 13 15.849 0.655 3.612
111 HB2 ASN 13 HB2 ASN 13 15.236 2.642 2.296
112 HB3 ASN 13 HB3 ASN 13 15.793 1.308 1.276
113 HD21 ASN 13 HD21 ASN 13 14.774 2.437 -0.484
114 H GLY 14 H GLY 14 12.751 -0.532 4.031
115 HA2 GLY 14 HA2 GLY 14 11.400 -0.211 5.902
116 HA3 GLY 14 HA3 GLY 14 12.197 1.329 6.261
117 H THR 15 H THR 15 10.980 0.845 3.002
118 HA THR 15 HA THR 15 8.820 2.844 3.462
119 HB THR 15 HB THR 15 9.851 1.673 0.864
120 HG1 THR 15 HG1 THR 15 11.407 2.824 1.755
121 HG21 THR 15 HG21 THR 15 7.689 2.471 0.403
122 HG22 THR 15 HG22 THR 15 7.887 3.905 1.453
123 HG23 THR 15 HG23 THR 15 8.769 3.783 -0.080
124 H VAL 16 H VAL 16 6.682 2.404 3.356
125 HA VAL 16 HA VAL 16 5.795 -0.413 3.021
126 HB VAL 16 HB VAL 16 4.284 2.015 4.045
127 HG11 VAL 16 HG11 VAL 16 2.673 0.368 4.949
128 HG12 VAL 16 HG12 VAL 16 2.703 0.344 3.192
129 HG13 VAL 16 HG13 VAL 16 3.533 -0.940 4.102
130 HG21 VAL 16 HG21 VAL 16 5.505 -0.297 5.606
131 HG22 VAL 16 HG22 VAL 16 6.090 1.383 5.611
132 HG23 VAL 16 HG23 VAL 16 4.497 0.996 6.274
133 H TYR 17 H TYR 17 4.355 -1.086 1.521
134 HA TYR 17 HA TYR 17 2.855 0.754 -0.190
135 HB2 TYR 17 HB2 TYR 17 3.703 -0.024 -2.283
136 HB3 TYR 17 HB3 TYR 17 5.051 0.562 -1.367
137 HD1 TYR 17 HD1 TYR 17 6.565 -1.202 -0.151
138 HD2 TYR 17 HD2 TYR 17 3.783 -2.138 -3.318
139 HE1 TYR 17 HE1 TYR 17 7.893 -3.231 -0.740
140 HE2 TYR 17 HE2 TYR 17 5.103 -4.162 -3.886
141 HH TYR 17 HH TYR 17 7.027 -5.332 -3.485
142 H TYR 18 H TYR 18 1.796 -0.982 -1.955
143 HA TYR 18 HA TYR 18 0.626 -3.212 -0.350
144 HB2 TYR 18 HB2 TYR 18 -0.801 -1.317 -2.253
145 HB3 TYR 18 HB3 TYR 18 -1.523 -2.681 -1.386
146 HD1 TYR 18 HD1 TYR 18 -2.031 -2.552 1.009
147 HD2 TYR 18 HD2 TYR 18 -0.134 0.732 -1.052
148 HE1 TYR 18 HE1 TYR 18 -2.386 -1.085 2.993
149 HE2 TYR 18 HE2 TYR 18 -0.441 2.176 0.942
150 HH TYR 18 HH TYR 18 -1.110 2.250 3.135
151 H PHE 19 H PHE 19 0.201 -5.101 -1.390
152 HA PHE 19 HA PHE 19 1.047 -5.418 -4.235
153 HB2 PHE 19 HB2 PHE 19 3.021 -5.752 -2.885
154 HB3 PHE 19 HB3 PHE 19 2.152 -6.899 -1.845
155 HD1 PHE 19 HD1 PHE 19 3.161 -6.300 -5.379
156 HD2 PHE 19 HD2 PHE 19 2.143 -9.252 -2.403
157 HE1 PHE 19 HE1 PHE 19 3.730 -8.081 -6.971
158 HE2 PHE 19 HE2 PHE 19 2.786 -11.053 -3.984
159 HZ PHE 19 HZ PHE 19 3.574 -10.487 -6.275
160 H ASN 20 H ASN 20 -0.064 -6.855 -5.400
161 HA ASN 20 HA ASN 20 -2.236 -8.363 -4.056
162 HB2 ASN 20 HB2 ASN 20 -2.686 -6.790 -5.968
163 HB3 ASN 20 HB3 ASN 20 -1.809 -7.912 -7.024
164 HD21 ASN 20 HD21 ASN 20 -4.824 -7.053 -6.274
165 HD22 ASN 20 HD22 ASN 20 -5.644 -8.604 -6.349
166 H HIS 21 H HIS 21 -1.748 -10.400 -3.448
167 HA HIS 21 HA HIS 21 0.552 -11.798 -4.511
168 HB2 HIS 21 HB2 HIS 21 0.241 -13.304 -2.827
169 HB3 HIS 21 HB3 HIS 21 -0.503 -11.866 -2.131
170 HD2 HIS 21 HD2 HIS 21 -3.055 -12.078 -1.418
171 HE1 HIS 21 HE1 HIS 21 -3.720 -16.090 -2.693
172 HE2 HIS 21 HE2 HIS 21 -4.686 -14.145 -1.366
173 H ILE 22 H ILE 22 -2.760 -11.746 -5.534
174 HA ILE 22 HA ILE 22 -2.705 -14.363 -6.879
175 HB ILE 22 HB ILE 22 -4.782 -12.130 -6.856
176 HG12 ILE 22 HG12 ILE 22 -4.642 -14.697 -5.196
177 HG13 ILE 22 HG13 ILE 22 -4.346 -13.060 -4.587
178 HG21 ILE 22 HG21 ILE 22 -5.031 -15.038 -7.733
179 HG22 ILE 22 HG22 ILE 22 -6.357 -13.853 -7.663
180 HG23 ILE 22 HG23 ILE 22 -5.048 -13.617 -8.803
181 HD11 ILE 22 HD11 ILE 22 -6.507 -13.609 -3.888
182 HD12 ILE 22 HD12 ILE 22 -6.710 -12.456 -5.223
183 HD13 ILE 22 HD13 ILE 22 -6.996 -14.195 -5.490
184 H THR 23 H THR 23 -2.645 -10.921 -7.729
185 HA THR 23 HA THR 23 -2.326 -11.562 -10.608
186 HB THR 23 HB THR 23 -3.317 -9.533 -11.154
187 HG1 THR 23 HG1 THR 23 -3.941 -8.268 -9.102
188 HG21 THR 23 HG21 THR 23 -4.850 -10.355 -8.644
189 HG22 THR 23 HG22 THR 23 -5.470 -9.515 -10.079
190 HG23 THR 23 HG23 THR 23 -4.951 -11.203 -10.203
191 H ASN 24 H ASN 24 -0.316 -10.609 -8.137
192 HA ASN 24 HA ASN 24 1.717 -9.767 -7.944
193 HB2 ASN 24 HB2 ASN 24 2.045 -10.349 -10.904
194 HB3 ASN 24 HB3 ASN 24 3.350 -10.002 -9.762
195 HD21 ASN 24 HD21 ASN 24 1.803 -12.527 -11.265
196 HD22 ASN 24 HD22 ASN 24 2.206 -13.779 -10.087
197 H ALA 25 H ALA 25 -0.580 -7.927 -8.944
198 HA ALA 25 HA ALA 25 0.768 -5.583 -9.973
199 HB1 ALA 25 HB1 ALA 25 -1.659 -6.007 -10.242
200 HB2 ALA 25 HB2 ALA 25 -1.877 -5.874 -8.483
201 HB3 ALA 25 HB3 ALA 25 -1.349 -4.464 -9.422
202 H SER 26 H SER 26 1.225 -3.620 -8.841
203 HA SER 26 HA SER 26 1.460 -3.719 -5.890
204 HB2 SER 26 HB2 SER 26 3.755 -2.823 -5.971
205 HB3 SER 26 HB3 SER 26 3.626 -4.466 -6.604
206 HG SER 26 HG SER 26 3.746 -2.082 -8.165
207 H GLN 27 H GLN 27 1.405 -1.695 -4.844
208 HA GLN 27 HA GLN 27 1.125 0.770 -6.450
209 HB2 GLN 27 HB2 GLN 27 -1.107 -0.516 -6.430
210 HB3 GLN 27 HB3 GLN 27 -1.168 -0.188 -4.689
211 HG2 GLN 27 HG2 GLN 27 -1.103 2.234 -5.158
212 HG3 GLN 27 HG3 GLN 27 -0.951 1.901 -6.893
213 HE21 GLN 27 HE21 GLN 27 -3.128 1.641 -4.082
214 HE22 GLN 27 HE22 GLN 27 -4.608 1.530 -5.050
215 H PHE 28 H PHE 28 1.453 2.644 -5.265
216 HA PHE 28 HA PHE 28 2.465 2.319 -2.516
217 HB2 PHE 28 HB2 PHE 28 2.668 4.567 -4.501
218 HB3 PHE 28 HB3 PHE 28 3.077 4.775 -2.794
219 HD1 PHE 28 HD1 PHE 28 4.166 3.313 -5.972
220 HD2 PHE 28 HD2 PHE 28 4.936 3.509 -1.730
221 HE1 PHE 28 HE1 PHE 28 6.453 2.414 -6.343
222 HE2 PHE 28 HE2 PHE 28 7.224 2.621 -2.108
223 HZ PHE 28 HZ PHE 28 7.986 2.074 -4.418
224 H GLU 29 H GLU 29 -0.314 3.926 -3.949
225 HA GLU 29 HA GLU 29 -1.236 4.884 -1.298
226 HB2 GLU 29 HB2 GLU 29 -2.558 4.855 -4.043
227 HB3 GLU 29 HB3 GLU 29 -3.311 5.495 -2.588
228 HG2 GLU 29 HG2 GLU 29 -0.753 6.545 -3.871
229 HG3 GLU 29 HG3 GLU 29 -2.359 7.247 -4.036
230 H ARG 30 H ARG 30 -3.166 4.017 -0.281
231 HA ARG 30 HA ARG 30 -3.181 1.138 -0.464
232 HB2 ARG 30 HB2 ARG 30 -4.796 1.046 1.244
233 HB3 ARG 30 HB3 ARG 30 -3.497 2.128 1.680
234 HG2 ARG 30 HG2 ARG 30 -4.742 3.979 1.771
235 HG3 ARG 30 HG3 ARG 30 -5.891 3.482 0.510
236 HD2 ARG 30 HD2 ARG 30 -5.801 2.382 3.339
237 HD3 ARG 30 HD3 ARG 30 -6.985 3.543 2.710
238 HE ARG 30 HE ARG 30 -7.159 1.391 0.953
239 HH11 ARG 30 HH11 ARG 30 -8.397 -0.312 1.048
240 HH12 ARG 30 HH12 ARG 30 -8.912 -1.012 2.582
241 HH21 ARG 30 HH21 ARG 30 -8.518 0.093 4.458
242 HH22 ARG 30 HH22 ARG 30 -7.524 1.531 4.453
243 HA PRO 31 HA PRO 31 -6.420 0.539 -3.532
244 HB2 PRO 31 HB2 PRO 31 -6.766 -2.037 -2.022
245 HB3 PRO 31 HB3 PRO 31 -6.641 -1.784 -3.791
246 HG2 PRO 31 HG2 PRO 31 -4.532 -2.727 -2.365
247 HG3 PRO 31 HG3 PRO 31 -4.275 -1.491 -3.644
248 HD2 PRO 31 HD2 PRO 31 -4.415 -1.097 -0.640
249 HD3 PRO 31 HD3 PRO 31 -3.314 -0.380 -1.836
250 H SER 32 H SER 32 -8.686 0.641 -3.566
251 HA SER 32 HA SER 32 -10.690 1.414 -2.871
252 HB2 SER 32 HB2 SER 32 -11.996 -0.130 -1.607
253 HB3 SER 32 HB3 SER 32 -10.892 -1.006 -2.665
254 HG SER 32 HG SER 32 -10.682 -0.581 0.126
255 H GLY 33 H GLY 33 -8.768 3.055 -1.708
256 HA2 GLY 33 HA2 GLY 33 -10.356 4.437 0.267
257 HA3 GLY 33 HA3 GLY 33 -8.965 3.663 1.024
258 H1' ALL 101 H1 ALL 34 11.851 1.877 -0.649
259 H2' ALL 101 H2 ALL 34 13.476 4.062 -2.066
260 H3' ALL 101 H3 ALL 34 11.358 4.693 -3.154
261 H4' ALL 101 H4 ALL 34 12.786 3.111 -4.354
262 H5' ALL 101 H5 ALL 34 11.275 0.871 -2.939
263 H6'1 ALL 101 H62 ALL 34 12.194 0.400 -5.305
264 H6'2 ALL 101 H61 ALL 34 12.766 -0.662 -4.004
265 HO'2 ALL 101 H2O ALL 34 11.424 4.231 -0.067
266 HO'3 ALL 101 H3O ALL 34 9.620 3.071 -2.946
267 HO'4 ALL 101 H4O ALL 34 10.800 3.467 -5.345
268 HO'6 ALL 101 H6O ALL 34 14.565 0.843 -3.782
Start of MODEL 8
1 H1 LYS 1 H1 LYS 1 -10.462 -5.990 6.366
2 H2 LYS 1 H2 LYS 1 -10.350 -6.414 4.791
3 H3 LYS 1 H3 LYS 1 -10.999 -4.967 5.212
4 HA LYS 1 HA LYS 1 -8.925 -4.191 6.103
5 HB2 LYS 1 HB2 LYS 1 -8.071 -6.429 6.768
6 HB3 LYS 1 HB3 LYS 1 -7.753 -6.808 5.074
7 HG2 LYS 1 HG2 LYS 1 -6.197 -4.784 5.008
8 HG3 LYS 1 HG3 LYS 1 -6.469 -4.604 6.748
9 HD2 LYS 1 HD2 LYS 1 -5.577 -6.946 7.060
10 HD3 LYS 1 HD3 LYS 1 -5.229 -7.001 5.316
11 HE2 LYS 1 HE2 LYS 1 -3.793 -4.948 5.594
12 HE3 LYS 1 HE3 LYS 1 -4.088 -5.019 7.338
13 HZ1 LYS 1 HZ1 LYS 1 -2.025 -6.115 6.865
14 HZ2 LYS 1 HZ2 LYS 1 -3.079 -7.299 7.257
15 HZ3 LYS 1 HZ3 LYS 1 -2.664 -7.038 5.686
16 H LEU 2 H LEU 2 -8.546 -6.158 3.114
17 HA LEU 2 HA LEU 2 -8.236 -3.679 1.490
18 HB2 LEU 2 HB2 LEU 2 -6.360 -6.024 1.894
19 HB3 LEU 2 HB3 LEU 2 -6.323 -5.128 0.382
20 HG LEU 2 HG LEU 2 -6.027 -3.651 3.008
21 HD11 LEU 2 HD11 LEU 2 -3.599 -3.832 2.761
22 HD12 LEU 2 HD12 LEU 2 -4.315 -5.441 2.963
23 HD13 LEU 2 HD13 LEU 2 -3.804 -4.894 1.348
24 HD21 LEU 2 HD21 LEU 2 -6.426 -2.347 0.901
25 HD22 LEU 2 HD22 LEU 2 -4.840 -2.039 1.616
26 HD23 LEU 2 HD23 LEU 2 -4.987 -3.101 0.196
27 HA PRO 3 HA PRO 3 -10.664 -5.775 -1.565
28 HB2 PRO 3 HB2 PRO 3 -8.849 -5.040 -3.795
29 HB3 PRO 3 HB3 PRO 3 -10.532 -4.531 -3.491
30 HG2 PRO 3 HG2 PRO 3 -8.383 -2.848 -3.173
31 HG3 PRO 3 HG3 PRO 3 -9.864 -2.742 -2.158
32 HD2 PRO 3 HD2 PRO 3 -7.221 -4.051 -1.499
33 HD3 PRO 3 HD3 PRO 3 -8.254 -2.994 -0.488
34 HA PRO 4 HA PRO 4 -9.446 -9.813 -2.496
35 HB2 PRO 4 HB2 PRO 4 -9.909 -9.400 -5.459
36 HB3 PRO 4 HB3 PRO 4 -10.421 -10.766 -4.415
37 HG2 PRO 4 HG2 PRO 4 -12.187 -8.812 -5.006
38 HG3 PRO 4 HG3 PRO 4 -12.057 -9.394 -3.310
39 HD2 PRO 4 HD2 PRO 4 -10.845 -6.910 -4.549
40 HD3 PRO 4 HD3 PRO 4 -11.685 -7.100 -2.979
41 H GLY 5 H GLY 5 -7.511 -10.612 -2.296
42 HA2 GLY 5 HA2 GLY 5 -5.436 -11.443 -2.863
43 HA3 GLY 5 HA3 GLY 5 -5.483 -10.552 -4.393
44 H TRP 6 H TRP 6 -6.023 -8.010 -2.506
45 HA TRP 6 HA TRP 6 -3.233 -7.205 -2.504
46 HB2 TRP 6 HB2 TRP 6 -5.750 -5.819 -1.613
47 HB3 TRP 6 HB3 TRP 6 -4.143 -5.091 -1.491
48 HD1 TRP 6 HD1 TRP 6 -6.863 -5.933 -3.958
49 HE1 TRP 6 HE1 TRP 6 -6.361 -4.919 -6.263
50 HE3 TRP 6 HE3 TRP 6 -2.025 -4.500 -3.144
51 HZ2 TRP 6 HZ2 TRP 6 -4.065 -3.888 -7.649
52 HZ3 TRP 6 HZ3 TRP 6 -0.683 -3.527 -5.000
53 HH2 TRP 6 HH2 TRP 6 -1.678 -3.228 -7.252
54 H GLU 7 H GLU 7 -1.792 -6.974 -0.927
55 HA GLU 7 HA GLU 7 -2.553 -6.908 1.906
56 HB2 GLU 7 HB2 GLU 7 -2.356 -9.272 1.588
57 HB3 GLU 7 HB3 GLU 7 -0.886 -9.098 0.646
58 HG2 GLU 7 HG2 GLU 7 -0.446 -10.081 2.801
59 HG3 GLU 7 HG3 GLU 7 0.412 -8.570 2.598
60 H LYS 8 H LYS 8 -0.885 -6.101 3.286
61 HA LYS 8 HA LYS 8 0.783 -4.064 2.087
62 HB2 LYS 8 HB2 LYS 8 0.482 -5.101 4.915
63 HB3 LYS 8 HB3 LYS 8 1.768 -3.960 4.488
64 HG2 LYS 8 HG2 LYS 8 0.132 -2.365 3.587
65 HG3 LYS 8 HG3 LYS 8 -1.178 -3.496 3.937
66 HD2 LYS 8 HD2 LYS 8 -1.182 -1.851 5.674
67 HD3 LYS 8 HD3 LYS 8 -0.553 -3.342 6.393
68 HE2 LYS 8 HE2 LYS 8 1.783 -2.468 6.077
69 HE3 LYS 8 HE3 LYS 8 1.115 -0.993 5.368
70 HZ1 LYS 8 HZ1 LYS 8 0.623 -1.917 8.149
71 HZ2 LYS 8 HZ2 LYS 8 1.623 -0.700 7.724
72 HZ3 LYS 8 HZ3 LYS 8 0.014 -0.547 7.495
73 H ARG 9 H ARG 9 2.869 -3.791 1.883
74 HA ARG 9 HA ARG 9 4.829 -5.962 2.361
75 HB2 ARG 9 HB2 ARG 9 3.637 -6.121 0.018
76 HB3 ARG 9 HB3 ARG 9 4.500 -4.643 -0.369
77 HG2 ARG 9 HG2 ARG 9 5.727 -6.461 -1.277
78 HG3 ARG 9 HG3 ARG 9 6.663 -5.877 0.106
79 HD2 ARG 9 HD2 ARG 9 6.783 -8.176 0.345
80 HD3 ARG 9 HD3 ARG 9 5.465 -7.787 1.455
81 HE ARG 9 HE ARG 9 5.306 -9.096 -1.222
82 HH11 ARG 9 HH11 ARG 9 2.495 -10.819 -0.369
83 HH12 ARG 9 HH12 ARG 9 3.819 -10.663 -1.489
84 HH21 ARG 9 HH21 ARG 9 3.376 -8.178 1.612
85 HH22 ARG 9 HH22 ARG 9 2.287 -9.497 1.334
86 H MET 10 H MET 10 7.119 -5.130 2.035
87 HA MET 10 HA MET 10 7.410 -2.231 1.978
88 HB2 MET 10 HB2 MET 10 8.395 -1.958 4.170
89 HB3 MET 10 HB3 MET 10 6.719 -2.515 4.296
90 HG2 MET 10 HG2 MET 10 7.491 -4.806 4.747
91 HG3 MET 10 HG3 MET 10 9.172 -4.291 4.609
92 HE1 MET 10 HE1 MET 10 10.475 -2.859 6.300
93 HE2 MET 10 HE2 MET 10 9.329 -1.501 6.199
94 HE3 MET 10 HE3 MET 10 9.795 -2.153 7.782
95 H PHE 11 H PHE 11 9.319 -1.459 1.543
96 HA PHE 11 HA PHE 11 11.440 -3.183 0.556
97 HB2 PHE 11 HB2 PHE 11 11.105 -0.186 0.762
98 HB3 PHE 11 HB3 PHE 11 12.546 -0.959 0.093
99 HD1 PHE 11 HD1 PHE 11 12.205 -2.668 -1.850
100 HD2 PHE 11 HD2 PHE 11 9.282 0.309 -0.712
101 HE1 PHE 11 HE1 PHE 11 11.156 -2.826 -4.097
102 HE2 PHE 11 HE2 PHE 11 8.249 0.138 -2.950
103 HZ PHE 11 HZ PHE 11 9.181 -1.417 -4.651
104 H ALA 12 H ALA 12 13.673 -3.104 1.164
105 HA ALA 12 HA ALA 12 14.133 -3.491 3.936
106 HB1 ALA 12 HB1 ALA 12 16.105 -2.989 1.662
107 HB2 ALA 12 HB2 ALA 12 16.488 -3.719 3.235
108 HB3 ALA 12 HB3 ALA 12 15.406 -4.563 2.113
109 H ASN 13 H ASN 13 14.232 -0.527 2.112
110 HA ASN 13 HA ASN 13 15.796 1.001 4.059
111 HB2 ASN 13 HB2 ASN 13 15.250 2.917 2.609
112 HB3 ASN 13 HB3 ASN 13 15.900 1.547 1.695
113 HD21 ASN 13 HD21 ASN 13 14.979 2.679 -0.148
114 H GLY 14 H GLY 14 12.678 -0.204 4.282
115 HA2 GLY 14 HA2 GLY 14 11.191 0.189 6.044
116 HA3 GLY 14 HA3 GLY 14 11.921 1.771 6.359
117 H THR 15 H THR 15 11.003 1.057 3.047
118 HA THR 15 HA THR 15 8.762 3.014 3.208
119 HB THR 15 HB THR 15 10.007 1.737 0.762
120 HG1 THR 15 HG1 THR 15 11.481 2.943 1.753
121 HG21 THR 15 HG21 THR 15 8.980 3.762 -0.373
122 HG22 THR 15 HG22 THR 15 7.858 2.503 0.146
123 HG23 THR 15 HG23 THR 15 8.022 4.004 1.100
124 H VAL 16 H VAL 16 6.684 2.406 3.248
125 HA VAL 16 HA VAL 16 5.964 -0.452 2.863
126 HB VAL 16 HB VAL 16 4.450 1.897 4.060
127 HG11 VAL 16 HG11 VAL 16 2.822 0.226 4.884
128 HG12 VAL 16 HG12 VAL 16 2.790 0.349 3.130
129 HG13 VAL 16 HG13 VAL 16 3.611 -1.030 3.900
130 HG21 VAL 16 HG21 VAL 16 4.730 0.673 6.185
131 HG22 VAL 16 HG22 VAL 16 5.660 -0.586 5.353
132 HG23 VAL 16 HG23 VAL 16 6.305 1.067 5.481
133 H TYR 17 H TYR 17 4.503 -1.180 1.435
134 HA TYR 17 HA TYR 17 2.917 0.559 -0.306
135 HB2 TYR 17 HB2 TYR 17 3.791 -0.299 -2.380
136 HB3 TYR 17 HB3 TYR 17 5.087 0.434 -1.487
137 HD1 TYR 17 HD1 TYR 17 6.802 -1.048 -0.294
138 HD2 TYR 17 HD2 TYR 17 3.946 -2.559 -3.159
139 HE1 TYR 17 HE1 TYR 17 8.282 -2.991 -0.755
140 HE2 TYR 17 HE2 TYR 17 5.417 -4.518 -3.587
141 HH TYR 17 HH TYR 17 8.638 -4.815 -2.071
142 H TYR 18 H TYR 18 1.911 -1.236 -2.021
143 HA TYR 18 HA TYR 18 0.860 -3.512 -0.395
144 HB2 TYR 18 HB2 TYR 18 -0.697 -1.657 -2.233
145 HB3 TYR 18 HB3 TYR 18 -1.335 -3.064 -1.369
146 HD1 TYR 18 HD1 TYR 18 -1.906 -2.957 0.985
147 HD2 TYR 18 HD2 TYR 18 -0.016 0.392 -0.972
148 HE1 TYR 18 HE1 TYR 18 -2.403 -1.518 2.958
149 HE2 TYR 18 HE2 TYR 18 -0.460 1.812 1.023
150 HH TYR 18 HH TYR 18 -2.146 0.533 3.911
151 H PHE 19 H PHE 19 0.456 -5.398 -1.457
152 HA PHE 19 HA PHE 19 1.209 -5.636 -4.345
153 HB2 PHE 19 HB2 PHE 19 3.175 -6.119 -2.971
154 HB3 PHE 19 HB3 PHE 19 2.250 -7.304 -2.034
155 HD1 PHE 19 HD1 PHE 19 3.515 -6.469 -5.420
156 HD2 PHE 19 HD2 PHE 19 1.900 -9.575 -2.906
157 HE1 PHE 19 HE1 PHE 19 3.995 -8.124 -7.178
158 HE2 PHE 19 HE2 PHE 19 2.474 -11.263 -4.636
159 HZ PHE 19 HZ PHE 19 3.519 -10.551 -6.779
160 H ASN 20 H ASN 20 0.002 -7.042 -5.520
161 HA ASN 20 HA ASN 20 -2.232 -8.414 -4.120
162 HB2 ASN 20 HB2 ASN 20 -2.643 -6.780 -6.001
163 HB3 ASN 20 HB3 ASN 20 -1.908 -7.963 -7.099
164 HD21 ASN 20 HD21 ASN 20 -4.825 -6.890 -6.109
165 HD22 ASN 20 HD22 ASN 20 -5.749 -8.382 -6.125
166 H HIS 21 H HIS 21 -1.938 -10.507 -3.606
167 HA HIS 21 HA HIS 21 0.245 -12.049 -4.724
168 HB2 HIS 21 HB2 HIS 21 -0.158 -13.561 -3.075
169 HB3 HIS 21 HB3 HIS 21 -0.804 -12.097 -2.335
170 HD2 HIS 21 HD2 HIS 21 -3.356 -12.172 -1.601
171 HE1 HIS 21 HE1 HIS 21 -4.285 -16.092 -2.992
172 HE2 HIS 21 HE2 HIS 21 -5.115 -14.132 -1.596
173 H ILE 22 H ILE 22 -3.094 -11.743 -5.658
174 HA ILE 22 HA ILE 22 -3.239 -14.297 -7.106
175 HB ILE 22 HB ILE 22 -5.146 -11.918 -6.988
176 HG12 ILE 22 HG12 ILE 22 -5.172 -14.538 -5.404
177 HG13 ILE 22 HG13 ILE 22 -4.763 -12.941 -4.752
178 HG21 ILE 22 HG21 ILE 22 -5.621 -14.773 -7.943
179 HG22 ILE 22 HG22 ILE 22 -6.851 -13.492 -7.829
180 HG23 ILE 22 HG23 ILE 22 -5.537 -13.326 -8.975
181 HD11 ILE 22 HD11 ILE 22 -7.089 -12.166 -5.348
182 HD12 ILE 22 HD12 ILE 22 -7.489 -13.874 -5.663
183 HD13 ILE 22 HD13 ILE 22 -6.952 -13.368 -4.050
184 H THR 23 H THR 23 -2.932 -10.845 -7.831
185 HA THR 23 HA THR 23 -2.729 -11.395 -10.736
186 HB THR 23 HB THR 23 -3.635 -9.316 -11.191
187 HG1 THR 23 HG1 THR 23 -4.093 -8.036 -9.119
188 HG21 THR 23 HG21 THR 23 -5.731 -9.183 -10.031
189 HG22 THR 23 HG22 THR 23 -5.324 -10.900 -10.176
190 HG23 THR 23 HG23 THR 23 -5.107 -10.060 -8.623
191 H ASN 24 H ASN 24 -0.574 -10.785 -8.354
192 HA ASN 24 HA ASN 24 1.436 -9.972 -8.089
193 HB2 ASN 24 HB2 ASN 24 3.149 -10.392 -9.741
194 HB3 ASN 24 HB3 ASN 24 2.044 -11.752 -9.540
195 HD21 ASN 24 HD21 ASN 24 1.225 -12.657 -11.394
196 HD22 ASN 24 HD22 ASN 24 1.323 -11.883 -12.977
197 H ALA 25 H ALA 25 -0.647 -7.984 -9.084
198 HA ALA 25 HA ALA 25 0.863 -5.739 -10.093
199 HB1 ALA 25 HB1 ALA 25 -1.585 -5.987 -10.361
200 HB2 ALA 25 HB2 ALA 25 -1.794 -5.875 -8.600
201 HB3 ALA 25 HB3 ALA 25 -1.176 -4.483 -9.516
202 H SER 26 H SER 26 1.365 -3.784 -8.938
203 HA SER 26 HA SER 26 1.517 -3.909 -5.992
204 HB2 SER 26 HB2 SER 26 3.777 -3.002 -5.918
205 HB3 SER 26 HB3 SER 26 3.734 -4.619 -6.620
206 HG SER 26 HG SER 26 3.994 -3.744 -8.648
207 H GLN 27 H GLN 27 1.494 -1.896 -4.946
208 HA GLN 27 HA GLN 27 1.101 0.584 -6.490
209 HB2 GLN 27 HB2 GLN 27 -1.060 -0.534 -6.722
210 HB3 GLN 27 HB3 GLN 27 -1.124 -0.842 -4.988
211 HG2 GLN 27 HG2 GLN 27 -2.628 0.960 -5.601
212 HG3 GLN 27 HG3 GLN 27 -1.362 1.524 -4.519
213 HE21 GLN 27 HE21 GLN 27 -2.103 1.347 -8.071
214 HE22 GLN 27 HE22 GLN 27 -1.249 2.851 -8.432
215 H PHE 28 H PHE 28 1.217 2.446 -5.243
216 HA PHE 28 HA PHE 28 2.291 2.108 -2.501
217 HB2 PHE 28 HB2 PHE 28 2.482 4.374 -4.468
218 HB3 PHE 28 HB3 PHE 28 2.902 4.545 -2.760
219 HD1 PHE 28 HD1 PHE 28 4.833 3.351 -1.758
220 HD2 PHE 28 HD2 PHE 28 3.922 3.072 -5.969
221 HE1 PHE 28 HE1 PHE 28 7.116 2.483 -2.201
222 HE2 PHE 28 HE2 PHE 28 6.207 2.197 -6.402
223 HZ PHE 28 HZ PHE 28 7.809 1.914 -4.522
224 H GLU 29 H GLU 29 -0.415 3.736 -4.083
225 HA GLU 29 HA GLU 29 -1.399 4.943 -1.604
226 HB2 GLU 29 HB2 GLU 29 -1.748 6.008 -3.763
227 HB3 GLU 29 HB3 GLU 29 -2.661 4.606 -4.350
228 HG2 GLU 29 HG2 GLU 29 -4.413 5.002 -2.674
229 HG3 GLU 29 HG3 GLU 29 -3.472 6.317 -1.963
230 H ARG 30 H ARG 30 -2.894 4.159 -0.201
231 HA ARG 30 HA ARG 30 -3.220 1.429 0.203
232 HB2 ARG 30 HB2 ARG 30 -3.308 3.097 1.895
233 HB3 ARG 30 HB3 ARG 30 -4.803 3.772 1.279
234 HG2 ARG 30 HG2 ARG 30 -4.758 0.846 2.063
235 HG3 ARG 30 HG3 ARG 30 -4.664 2.062 3.343
236 HD2 ARG 30 HD2 ARG 30 -6.856 2.389 3.307
237 HD3 ARG 30 HD3 ARG 30 -6.781 2.917 1.636
238 HE ARG 30 HE ARG 30 -7.448 0.814 0.876
239 HH11 ARG 30 HH11 ARG 30 -7.012 0.520 4.369
240 HH12 ARG 30 HH12 ARG 30 -7.946 -0.964 4.387
241 HH21 ARG 30 HH21 ARG 30 -8.585 -0.960 1.037
242 HH22 ARG 30 HH22 ARG 30 -8.802 -1.768 2.602
243 HA PRO 31 HA PRO 31 -5.985 0.632 -3.195
244 HB2 PRO 31 HB2 PRO 31 -6.045 -2.128 -1.968
245 HB3 PRO 31 HB3 PRO 31 -5.880 -1.670 -3.693
246 HG2 PRO 31 HG2 PRO 31 -3.697 -2.353 -2.261
247 HG3 PRO 31 HG3 PRO 31 -3.630 -0.913 -3.334
248 HD2 PRO 31 HD2 PRO 31 -4.042 -1.012 -0.334
249 HD3 PRO 31 HD3 PRO 31 -3.006 0.055 -1.311
250 H SER 32 H SER 32 -8.151 0.372 -3.719
251 HA SER 32 HA SER 32 -10.144 -0.403 -1.690
252 HB2 SER 32 HB2 SER 32 -9.695 2.002 -1.255
253 HB3 SER 32 HB3 SER 32 -10.146 2.372 -2.932
254 HG SER 32 HG SER 32 -11.879 2.640 -1.436
255 H GLY 33 H GLY 33 -12.263 -0.702 -2.577
256 HA2 GLY 33 HA2 GLY 33 -12.943 -0.531 -5.365
257 HA3 GLY 33 HA3 GLY 33 -12.373 -2.160 -4.990
258 H1' ALL 101 H1 ALL 34 12.108 1.975 -0.549
259 H2' ALL 101 H2 ALL 34 13.815 4.125 -1.917
260 H3' ALL 101 H3 ALL 34 11.891 4.610 -3.333
261 H4' ALL 101 H4 ALL 34 13.429 2.956 -4.235
262 H5' ALL 101 H5 ALL 34 11.789 0.814 -2.813
263 H6'1 ALL 101 H62 ALL 34 12.976 0.174 -5.023
264 H6'2 ALL 101 H61 ALL 34 13.393 -0.779 -3.584
265 HO'2 ALL 101 H2O ALL 34 11.686 4.268 -0.029
266 HO'3 ALL 101 H3O ALL 34 10.181 4.006 -2.000
267 HO'4 ALL 101 H4O ALL 34 10.654 2.430 -4.445
268 HO'6 ALL 101 H6O ALL 34 15.146 0.773 -3.273
Start of MODEL 9
1 H1 LYS 1 H1 LYS 1 -10.760 -1.290 4.881
2 H2 LYS 1 H2 LYS 1 -11.204 -2.116 6.223
3 H3 LYS 1 H3 LYS 1 -11.906 -2.451 4.779
4 HA LYS 1 HA LYS 1 -9.072 -2.877 5.434
5 HB2 LYS 1 HB2 LYS 1 -10.644 -4.420 6.617
6 HB3 LYS 1 HB3 LYS 1 -11.286 -4.940 5.064
7 HG2 LYS 1 HG2 LYS 1 -9.766 -6.586 5.977
8 HG3 LYS 1 HG3 LYS 1 -9.108 -5.951 4.478
9 HD2 LYS 1 HD2 LYS 1 -7.628 -4.404 5.885
10 HD3 LYS 1 HD3 LYS 1 -8.234 -5.227 7.322
11 HE2 LYS 1 HE2 LYS 1 -6.744 -6.540 4.998
12 HE3 LYS 1 HE3 LYS 1 -6.009 -6.041 6.522
13 HZ1 LYS 1 HZ1 LYS 1 -7.470 -7.619 7.675
14 HZ2 LYS 1 HZ2 LYS 1 -8.128 -8.108 6.258
15 HZ3 LYS 1 HZ3 LYS 1 -6.552 -8.390 6.570
16 H LEU 2 H LEU 2 -7.899 -4.139 3.781
17 HA LEU 2 HA LEU 2 -8.055 -3.042 1.184
18 HB2 LEU 2 HB2 LEU 2 -6.636 -5.422 2.427
19 HB3 LEU 2 HB3 LEU 2 -6.559 -5.154 0.684
20 HG LEU 2 HG LEU 2 -5.517 -2.972 0.973
21 HD11 LEU 2 HD11 LEU 2 -5.538 -3.586 3.960
22 HD12 LEU 2 HD12 LEU 2 -4.604 -2.291 3.171
23 HD13 LEU 2 HD13 LEU 2 -6.368 -2.231 3.141
24 HD21 LEU 2 HD21 LEU 2 -4.094 -4.918 0.757
25 HD22 LEU 2 HD22 LEU 2 -3.357 -3.834 1.945
26 HD23 LEU 2 HD23 LEU 2 -4.221 -5.276 2.495
27 HA PRO 3 HA PRO 3 -10.988 -5.737 -0.933
28 HB2 PRO 3 HB2 PRO 3 -10.190 -5.451 -3.532
29 HB3 PRO 3 HB3 PRO 3 -10.934 -4.111 -2.602
30 HG2 PRO 3 HG2 PRO 3 -7.977 -4.668 -3.017
31 HG3 PRO 3 HG3 PRO 3 -8.850 -3.138 -3.318
32 HD2 PRO 3 HD2 PRO 3 -7.509 -3.618 -0.993
33 HD3 PRO 3 HD3 PRO 3 -9.052 -2.710 -0.986
34 HA PRO 4 HA PRO 4 -9.336 -9.775 -1.369
35 HB2 PRO 4 HB2 PRO 4 -10.521 -9.957 -4.144
36 HB3 PRO 4 HB3 PRO 4 -10.603 -11.144 -2.802
37 HG2 PRO 4 HG2 PRO 4 -12.705 -9.515 -3.272
38 HG3 PRO 4 HG3 PRO 4 -12.142 -9.759 -1.584
39 HD2 PRO 4 HD2 PRO 4 -11.553 -7.445 -3.450
40 HD3 PRO 4 HD3 PRO 4 -12.037 -7.417 -1.724
41 H GLY 5 H GLY 5 -7.508 -10.820 -1.922
42 HA2 GLY 5 HA2 GLY 5 -5.605 -11.472 -3.058
43 HA3 GLY 5 HA3 GLY 5 -6.056 -10.431 -4.420
44 H TRP 6 H TRP 6 -6.197 -8.025 -2.495
45 HA TRP 6 HA TRP 6 -3.371 -7.303 -2.689
46 HB2 TRP 6 HB2 TRP 6 -5.813 -5.745 -1.858
47 HB3 TRP 6 HB3 TRP 6 -4.168 -5.110 -1.799
48 HD1 TRP 6 HD1 TRP 6 -6.829 -6.210 -4.298
49 HE1 TRP 6 HE1 TRP 6 -6.321 -5.237 -6.619
50 HE3 TRP 6 HE3 TRP 6 -2.121 -4.382 -3.403
51 HZ2 TRP 6 HZ2 TRP 6 -4.113 -3.963 -7.951
52 HZ3 TRP 6 HZ3 TRP 6 -0.826 -3.311 -5.256
53 HH2 TRP 6 HH2 TRP 6 -1.805 -3.112 -7.513
54 H GLU 7 H GLU 7 -1.962 -6.766 -1.145
55 HA GLU 7 HA GLU 7 -2.542 -7.164 1.754
56 HB2 GLU 7 HB2 GLU 7 -0.260 -8.401 0.152
57 HB3 GLU 7 HB3 GLU 7 -0.445 -8.469 1.906
58 HG2 GLU 7 HG2 GLU 7 -2.525 -9.797 1.629
59 HG3 GLU 7 HG3 GLU 7 -2.272 -9.804 -0.126
60 H LYS 8 H LYS 8 -0.891 -6.234 3.144
61 HA LYS 8 HA LYS 8 0.550 -3.912 2.030
62 HB2 LYS 8 HB2 LYS 8 0.142 -5.001 4.822
63 HB3 LYS 8 HB3 LYS 8 1.485 -3.899 4.484
64 HG2 LYS 8 HG2 LYS 8 -0.039 -2.224 3.550
65 HG3 LYS 8 HG3 LYS 8 -1.411 -3.309 3.798
66 HD2 LYS 8 HD2 LYS 8 -1.401 -1.665 5.564
67 HD3 LYS 8 HD3 LYS 8 -0.971 -3.230 6.273
68 HE2 LYS 8 HE2 LYS 8 1.441 -2.587 6.202
69 HE3 LYS 8 HE3 LYS 8 1.008 -1.041 5.466
70 HZ1 LYS 8 HZ1 LYS 8 0.156 -1.942 8.167
71 HZ2 LYS 8 HZ2 LYS 8 1.316 -0.834 7.866
72 HZ3 LYS 8 HZ3 LYS 8 -0.240 -0.507 7.492
73 H ARG 9 H ARG 9 2.679 -3.626 1.854
74 HA ARG 9 HA ARG 9 4.585 -5.853 2.301
75 HB2 ARG 9 HB2 ARG 9 3.323 -5.858 -0.054
76 HB3 ARG 9 HB3 ARG 9 4.373 -4.498 -0.412
77 HG2 ARG 9 HG2 ARG 9 5.368 -6.463 -1.311
78 HG3 ARG 9 HG3 ARG 9 6.347 -6.009 0.091
79 HD2 ARG 9 HD2 ARG 9 6.171 -8.297 0.347
80 HD3 ARG 9 HD3 ARG 9 4.875 -7.745 1.411
81 HE ARG 9 HE ARG 9 4.604 -8.961 -1.313
82 HH11 ARG 9 HH11 ARG 9 2.777 -8.153 1.659
83 HH12 ARG 9 HH12 ARG 9 1.708 -9.512 1.317
84 HH21 ARG 9 HH21 ARG 9 3.067 -10.567 -1.513
85 HH22 ARG 9 HH22 ARG 9 1.801 -10.657 -0.285
86 H MET 10 H MET 10 6.894 -5.099 1.864
87 HA MET 10 HA MET 10 7.295 -2.204 2.215
88 HB2 MET 10 HB2 MET 10 6.622 -3.089 4.465
89 HB3 MET 10 HB3 MET 10 8.024 -4.176 4.411
90 HG2 MET 10 HG2 MET 10 9.455 -2.058 4.155
91 HG3 MET 10 HG3 MET 10 8.008 -1.140 4.549
92 HE1 MET 10 HE1 MET 10 6.941 -1.045 7.022
93 HE2 MET 10 HE2 MET 10 6.569 -2.775 6.822
94 HE3 MET 10 HE3 MET 10 7.373 -2.199 8.296
95 H PHE 11 H PHE 11 9.192 -1.504 1.599
96 HA PHE 11 HA PHE 11 11.194 -3.227 0.406
97 HB2 PHE 11 HB2 PHE 11 10.942 -0.242 0.769
98 HB3 PHE 11 HB3 PHE 11 12.355 -0.997 0.026
99 HD1 PHE 11 HD1 PHE 11 9.125 0.379 -0.654
100 HD2 PHE 11 HD2 PHE 11 11.922 -2.646 -1.965
101 HE1 PHE 11 HE1 PHE 11 8.043 0.328 -2.878
102 HE2 PHE 11 HE2 PHE 11 10.827 -2.682 -4.194
103 HZ PHE 11 HZ PHE 11 8.889 -1.190 -4.654
104 H ALA 12 H ALA 12 13.496 -3.186 0.836
105 HA ALA 12 HA ALA 12 14.148 -3.802 3.524
106 HB1 ALA 12 HB1 ALA 12 15.961 -3.063 1.183
107 HB2 ALA 12 HB2 ALA 12 16.454 -3.925 2.657
108 HB3 ALA 12 HB3 ALA 12 15.312 -4.684 1.535
109 H ASN 13 H ASN 13 14.118 -0.688 1.960
110 HA ASN 13 HA ASN 13 15.751 0.682 3.978
111 HB2 ASN 13 HB2 ASN 13 15.183 2.704 2.680
112 HB3 ASN 13 HB3 ASN 13 15.827 1.406 1.664
113 HD21 ASN 13 HD21 ASN 13 14.882 2.619 -0.106
114 H GLY 14 H GLY 14 12.631 -0.525 4.166
115 HA2 GLY 14 HA2 GLY 14 11.142 -0.249 5.934
116 HA3 GLY 14 HA3 GLY 14 11.910 1.279 6.395
117 H THR 15 H THR 15 10.947 0.885 3.035
118 HA THR 15 HA THR 15 8.776 2.896 3.383
119 HB THR 15 HB THR 15 9.965 1.759 0.837
120 HG1 THR 15 HG1 THR 15 11.467 2.865 1.901
121 HG21 THR 15 HG21 THR 15 7.839 2.613 0.272
122 HG22 THR 15 HG22 THR 15 8.023 4.034 1.341
123 HG23 THR 15 HG23 THR 15 8.983 3.892 -0.144
124 H VAL 16 H VAL 16 6.649 2.396 3.289
125 HA VAL 16 HA VAL 16 5.860 -0.433 2.828
126 HB VAL 16 HB VAL 16 4.428 1.950 4.058
127 HG11 VAL 16 HG11 VAL 16 2.652 0.362 4.748
128 HG12 VAL 16 HG12 VAL 16 2.683 0.586 3.004
129 HG13 VAL 16 HG13 VAL 16 3.374 -0.892 3.716
130 HG21 VAL 16 HG21 VAL 16 6.181 0.891 5.467
131 HG22 VAL 16 HG22 VAL 16 4.561 0.598 6.120
132 HG23 VAL 16 HG23 VAL 16 5.397 -0.691 5.232
133 H TYR 17 H TYR 17 4.416 -1.093 1.362
134 HA TYR 17 HA TYR 17 2.940 0.714 -0.408
135 HB2 TYR 17 HB2 TYR 17 3.819 -0.184 -2.462
136 HB3 TYR 17 HB3 TYR 17 5.129 0.499 -1.545
137 HD1 TYR 17 HD1 TYR 17 6.753 -1.056 -0.313
138 HD2 TYR 17 HD2 TYR 17 3.878 -2.457 -3.212
139 HE1 TYR 17 HE1 TYR 17 8.151 -3.069 -0.738
140 HE2 TYR 17 HE2 TYR 17 5.272 -4.480 -3.613
141 HH TYR 17 HH TYR 17 8.431 -4.934 -2.011
142 H TYR 18 H TYR 18 1.844 -0.983 -2.123
143 HA TYR 18 HA TYR 18 0.685 -3.220 -0.520
144 HB2 TYR 18 HB2 TYR 18 -0.763 -1.291 -2.363
145 HB3 TYR 18 HB3 TYR 18 -1.477 -2.659 -1.496
146 HD1 TYR 18 HD1 TYR 18 -0.040 0.740 -1.147
147 HD2 TYR 18 HD2 TYR 18 -1.941 -2.537 0.906
148 HE1 TYR 18 HE1 TYR 18 -0.388 2.193 0.850
149 HE2 TYR 18 HE2 TYR 18 -2.335 -1.073 2.881
150 HH TYR 18 HH TYR 18 -1.993 0.988 3.808
151 H PHE 19 H PHE 19 0.177 -5.086 -1.597
152 HA PHE 19 HA PHE 19 1.145 -5.417 -4.423
153 HB2 PHE 19 HB2 PHE 19 2.964 -5.797 -2.753
154 HB3 PHE 19 HB3 PHE 19 1.966 -7.041 -1.981
155 HD1 PHE 19 HD1 PHE 19 3.799 -6.077 -5.038
156 HD2 PHE 19 HD2 PHE 19 1.700 -9.257 -3.037
157 HE1 PHE 19 HE1 PHE 19 4.570 -7.656 -6.768
158 HE2 PHE 19 HE2 PHE 19 2.570 -10.881 -4.710
159 HZ PHE 19 HZ PHE 19 4.010 -10.090 -6.580
160 H ASN 20 H ASN 20 -0.029 -6.898 -5.597
161 HA ASN 20 HA ASN 20 -2.234 -8.345 -4.215
162 HB2 ASN 20 HB2 ASN 20 -2.728 -6.847 -6.168
163 HB3 ASN 20 HB3 ASN 20 -1.812 -7.966 -7.193
164 HD21 ASN 20 HD21 ASN 20 -5.625 -8.834 -6.381
165 HD22 ASN 20 HD22 ASN 20 -4.908 -7.254 -6.056
166 H HIS 21 H HIS 21 -1.944 -10.435 -3.680
167 HA HIS 21 HA HIS 21 0.450 -11.843 -4.530
168 HB2 HIS 21 HB2 HIS 21 -0.029 -13.379 -2.907
169 HB3 HIS 21 HB3 HIS 21 -0.761 -11.916 -2.243
170 HD2 HIS 21 HD2 HIS 21 -3.373 -12.027 -1.727
171 HE1 HIS 21 HE1 HIS 21 -4.080 -16.018 -3.040
172 HE2 HIS 21 HE2 HIS 21 -5.074 -14.035 -1.792
173 H ILE 22 H ILE 22 -2.787 -11.789 -5.784
174 HA ILE 22 HA ILE 22 -2.673 -14.404 -7.102
175 HB ILE 22 HB ILE 22 -4.696 -12.139 -7.371
176 HG12 ILE 22 HG12 ILE 22 -4.752 -14.520 -5.460
177 HG13 ILE 22 HG13 ILE 22 -4.485 -12.830 -4.991
178 HG21 ILE 22 HG21 ILE 22 -6.227 -13.896 -8.156
179 HG22 ILE 22 HG22 ILE 22 -4.806 -13.819 -9.179
180 HG23 ILE 22 HG23 ILE 22 -4.944 -15.115 -7.970
181 HD11 ILE 22 HD11 ILE 22 -6.761 -12.260 -5.857
182 HD12 ILE 22 HD12 ILE 22 -7.063 -14.009 -6.040
183 HD13 ILE 22 HD13 ILE 22 -6.710 -13.331 -4.442
184 H THR 23 H THR 23 -2.464 -10.981 -7.990
185 HA THR 23 HA THR 23 -1.922 -11.660 -10.828
186 HB THR 23 HB THR 23 -2.898 -9.639 -11.468
187 HG1 THR 23 HG1 THR 23 -3.706 -8.307 -9.605
188 HG21 THR 23 HG21 THR 23 -5.135 -9.685 -10.608
189 HG22 THR 23 HG22 THR 23 -4.561 -11.360 -10.646
190 HG23 THR 23 HG23 THR 23 -4.631 -10.478 -9.103
191 H ASN 24 H ASN 24 -0.101 -10.763 -8.258
192 HA ASN 24 HA ASN 24 1.801 -9.771 -7.830
193 HB2 ASN 24 HB2 ASN 24 3.712 -10.129 -9.275
194 HB3 ASN 24 HB3 ASN 24 2.706 -11.566 -9.084
195 HD21 ASN 24 HD21 ASN 24 2.121 -12.646 -10.935
196 HD22 ASN 24 HD22 ASN 24 2.336 -11.976 -12.555
197 H ALA 25 H ALA 25 -0.302 -8.006 -9.092
198 HA ALA 25 HA ALA 25 1.094 -5.688 -10.091
199 HB1 ALA 25 HB1 ALA 25 -1.609 -5.953 -8.701
200 HB2 ALA 25 HB2 ALA 25 -1.047 -4.557 -9.644
201 HB3 ALA 25 HB3 ALA 25 -1.322 -6.116 -10.448
202 H SER 26 H SER 26 1.451 -3.673 -8.961
203 HA SER 26 HA SER 26 1.520 -3.718 -6.018
204 HB2 SER 26 HB2 SER 26 3.827 -3.009 -5.849
205 HB3 SER 26 HB3 SER 26 3.710 -4.601 -6.612
206 HG SER 26 HG SER 26 4.097 -3.677 -8.596
207 H GLN 27 H GLN 27 1.459 -1.664 -5.039
208 HA GLN 27 HA GLN 27 1.672 0.777 -6.622
209 HB2 GLN 27 HB2 GLN 27 -0.575 1.496 -6.536
210 HB3 GLN 27 HB3 GLN 27 -0.612 -0.145 -7.187
211 HG2 GLN 27 HG2 GLN 27 -1.377 -1.017 -5.014
212 HG3 GLN 27 HG3 GLN 27 -1.272 0.594 -4.319
213 HE21 GLN 27 HE21 GLN 27 -3.339 1.306 -4.009
214 HE22 GLN 27 HE22 GLN 27 -4.611 1.238 -5.247
215 H PHE 28 H PHE 28 1.529 2.739 -5.330
216 HA PHE 28 HA PHE 28 2.462 2.251 -2.603
217 HB2 PHE 28 HB2 PHE 28 2.593 4.644 -4.396
218 HB3 PHE 28 HB3 PHE 28 2.975 4.739 -2.675
219 HD1 PHE 28 HD1 PHE 28 4.137 3.528 -5.933
220 HD2 PHE 28 HD2 PHE 28 4.877 3.471 -1.679
221 HE1 PHE 28 HE1 PHE 28 6.449 2.716 -6.342
222 HE2 PHE 28 HE2 PHE 28 7.188 2.669 -2.099
223 HZ PHE 28 HZ PHE 28 7.978 2.293 -4.426
224 H GLU 29 H GLU 29 -0.494 3.545 -3.868
225 HA GLU 29 HA GLU 29 -1.347 4.540 -1.193
226 HB2 GLU 29 HB2 GLU 29 -2.686 4.625 -3.922
227 HB3 GLU 29 HB3 GLU 29 -3.400 5.266 -2.449
228 HG2 GLU 29 HG2 GLU 29 -0.802 6.236 -3.723
229 HG3 GLU 29 HG3 GLU 29 -2.376 7.005 -3.876
230 H ARG 30 H ARG 30 -3.300 3.781 -0.163
231 HA ARG 30 HA ARG 30 -3.418 0.958 -0.045
232 HB2 ARG 30 HB2 ARG 30 -4.085 2.693 1.742
233 HB3 ARG 30 HB3 ARG 30 -5.655 2.734 0.942
234 HG2 ARG 30 HG2 ARG 30 -5.197 -0.025 1.235
235 HG3 ARG 30 HG3 ARG 30 -4.389 0.658 2.654
236 HD2 ARG 30 HD2 ARG 30 -6.563 0.189 3.385
237 HD3 ARG 30 HD3 ARG 30 -6.572 1.937 3.098
238 HE ARG 30 HE ARG 30 -7.416 0.362 0.768
239 HH11 ARG 30 HH11 ARG 30 -10.733 0.973 1.046
240 HH12 ARG 30 HH12 ARG 30 -9.399 0.359 0.075
241 HH21 ARG 30 HH21 ARG 30 -8.698 1.806 3.706
242 HH22 ARG 30 HH22 ARG 30 -10.323 1.808 3.067
243 HA PRO 31 HA PRO 31 -6.068 0.221 -3.616
244 HB2 PRO 31 HB2 PRO 31 -6.282 -2.528 -2.415
245 HB3 PRO 31 HB3 PRO 31 -5.922 -2.062 -4.102
246 HG2 PRO 31 HG2 PRO 31 -3.952 -2.869 -2.415
247 HG3 PRO 31 HG3 PRO 31 -3.677 -1.488 -3.525
248 HD2 PRO 31 HD2 PRO 31 -4.381 -1.456 -0.583
249 HD3 PRO 31 HD3 PRO 31 -3.184 -0.484 -1.496
250 H SER 32 H SER 32 -8.267 -0.413 -4.157
251 HA SER 32 HA SER 32 -10.226 -0.834 -2.011
252 HB2 SER 32 HB2 SER 32 -11.602 1.096 -2.592
253 HB3 SER 32 HB3 SER 32 -10.019 1.609 -1.998
254 HG SER 32 HG SER 32 -9.389 2.057 -4.085
255 H GLY 33 H GLY 33 -12.375 -1.306 -2.795
256 HA2 GLY 33 HA2 GLY 33 -13.025 -1.808 -5.554
257 HA3 GLY 33 HA3 GLY 33 -12.461 -3.288 -4.774
258 H1' ALL 101 H1 ALL 34 11.996 1.965 -0.486
259 H2' ALL 101 H2 ALL 34 13.717 4.127 -1.815
260 H3' ALL 101 H3 ALL 34 11.778 4.690 -3.180
261 H4' ALL 101 H4 ALL 34 13.270 3.035 -4.161
262 H5' ALL 101 H5 ALL 34 11.613 0.884 -2.772
263 H6'1 ALL 101 H62 ALL 34 12.743 0.286 -5.024
264 H6'2 ALL 101 H61 ALL 34 13.165 -0.717 -3.623
265 HO'2 ALL 101 H2O ALL 34 11.647 4.242 0.133
266 HO'3 ALL 101 H3O ALL 34 10.082 4.073 -1.834
267 HO'4 ALL 101 H4O ALL 34 10.483 2.573 -4.334
268 HO'6 ALL 101 H6O ALL 34 14.957 0.788 -3.298
Start of MODEL 10
1 H1 LYS 1 H1 LYS 1 -10.963 -3.762 5.437
2 H2 LYS 1 H2 LYS 1 -11.153 -5.090 6.377
3 H3 LYS 1 H3 LYS 1 -11.875 -5.011 4.907
4 HA LYS 1 HA LYS 1 -8.974 -5.073 5.381
5 HB2 LYS 1 HB2 LYS 1 -10.140 -7.222 5.895
6 HB3 LYS 1 HB3 LYS 1 -10.780 -7.256 4.258
7 HG2 LYS 1 HG2 LYS 1 -8.921 -8.788 4.497
8 HG3 LYS 1 HG3 LYS 1 -8.500 -7.537 3.347
9 HD2 LYS 1 HD2 LYS 1 -7.187 -6.370 5.204
10 HD3 LYS 1 HD3 LYS 1 -7.593 -7.738 6.259
11 HE2 LYS 1 HE2 LYS 1 -6.492 -9.281 4.619
12 HE3 LYS 1 HE3 LYS 1 -6.043 -7.886 3.627
13 HZ1 LYS 1 HZ1 LYS 1 -5.145 -8.347 6.421
14 HZ2 LYS 1 HZ2 LYS 1 -4.231 -8.569 5.083
15 HZ3 LYS 1 HZ3 LYS 1 -4.711 -7.067 5.492
16 H LEU 2 H LEU 2 -7.713 -5.414 3.410
17 HA LEU 2 HA LEU 2 -8.203 -3.573 1.317
18 HB2 LEU 2 HB2 LEU 2 -6.352 -5.960 1.699
19 HB3 LEU 2 HB3 LEU 2 -6.264 -4.953 0.256
20 HG LEU 2 HG LEU 2 -5.996 -3.718 3.012
21 HD11 LEU 2 HD11 LEU 2 -3.565 -3.862 2.716
22 HD12 LEU 2 HD12 LEU 2 -4.286 -5.478 2.783
23 HD13 LEU 2 HD13 LEU 2 -3.789 -4.793 1.215
24 HD21 LEU 2 HD21 LEU 2 -5.028 -2.893 0.234
25 HD22 LEU 2 HD22 LEU 2 -6.435 -2.204 1.073
26 HD23 LEU 2 HD23 LEU 2 -4.808 -1.974 1.739
27 HA PRO 3 HA PRO 3 -10.615 -5.732 -1.688
28 HB2 PRO 3 HB2 PRO 3 -8.818 -4.998 -3.936
29 HB3 PRO 3 HB3 PRO 3 -10.507 -4.510 -3.629
30 HG2 PRO 3 HG2 PRO 3 -8.391 -2.791 -3.331
31 HG3 PRO 3 HG3 PRO 3 -9.857 -2.713 -2.289
32 HD2 PRO 3 HD2 PRO 3 -7.185 -3.986 -1.688
33 HD3 PRO 3 HD3 PRO 3 -8.199 -2.935 -0.657
34 HA PRO 4 HA PRO 4 -9.442 -9.774 -2.625
35 HB2 PRO 4 HB2 PRO 4 -9.857 -9.360 -5.596
36 HB3 PRO 4 HB3 PRO 4 -10.398 -10.720 -4.559
37 HG2 PRO 4 HG2 PRO 4 -12.135 -8.749 -5.173
38 HG3 PRO 4 HG3 PRO 4 -12.033 -9.328 -3.476
39 HD2 PRO 4 HD2 PRO 4 -10.779 -6.860 -4.702
40 HD3 PRO 4 HD3 PRO 4 -11.639 -7.039 -3.140
41 H GLY 5 H GLY 5 -7.525 -10.609 -2.398
42 HA2 GLY 5 HA2 GLY 5 -5.439 -11.450 -2.914
43 HA3 GLY 5 HA3 GLY 5 -5.451 -10.568 -4.451
44 H TRP 6 H TRP 6 -6.027 -8.021 -2.567
45 HA TRP 6 HA TRP 6 -3.234 -7.221 -2.508
46 HB2 TRP 6 HB2 TRP 6 -5.767 -5.832 -1.673
47 HB3 TRP 6 HB3 TRP 6 -4.162 -5.108 -1.509
48 HD1 TRP 6 HD1 TRP 6 -6.841 -5.885 -4.032
49 HE1 TRP 6 HE1 TRP 6 -6.261 -4.895 -6.329
50 HE3 TRP 6 HE3 TRP 6 -1.984 -4.610 -3.119
51 HZ2 TRP 6 HZ2 TRP 6 -3.902 -3.937 -7.670
52 HZ3 TRP 6 HZ3 TRP 6 -0.552 -3.750 -4.966
53 HH2 TRP 6 HH2 TRP 6 -1.494 -3.396 -7.231
54 H GLU 7 H GLU 7 -1.834 -6.958 -0.898
55 HA GLU 7 HA GLU 7 -2.679 -6.963 1.922
56 HB2 GLU 7 HB2 GLU 7 -2.247 -9.352 1.301
57 HB3 GLU 7 HB3 GLU 7 -0.613 -8.914 0.813
58 HG2 GLU 7 HG2 GLU 7 -0.694 -9.982 3.032
59 HG3 GLU 7 HG3 GLU 7 -0.023 -8.363 3.118
60 H LYS 8 H LYS 8 -1.015 -6.090 3.358
61 HA LYS 8 HA LYS 8 0.620 -4.011 2.152
62 HB2 LYS 8 HB2 LYS 8 0.303 -5.021 4.983
63 HB3 LYS 8 HB3 LYS 8 1.599 -3.894 4.553
64 HG2 LYS 8 HG2 LYS 8 -0.033 -2.304 3.611
65 HG3 LYS 8 HG3 LYS 8 -1.348 -3.417 4.001
66 HD2 LYS 8 HD2 LYS 8 -1.320 -1.728 5.692
67 HD3 LYS 8 HD3 LYS 8 -0.705 -3.211 6.442
68 HE2 LYS 8 HE2 LYS 8 1.639 -2.371 6.110
69 HE3 LYS 8 HE3 LYS 8 0.991 -0.911 5.354
70 HZ1 LYS 8 HZ1 LYS 8 1.496 -0.554 7.704
71 HZ2 LYS 8 HZ2 LYS 8 -0.109 -0.387 7.462
72 HZ3 LYS 8 HZ3 LYS 8 0.476 -1.743 8.160
73 H ARG 9 H ARG 9 2.706 -3.729 1.986
74 HA ARG 9 HA ARG 9 4.651 -5.956 2.286
75 HB2 ARG 9 HB2 ARG 9 3.402 -5.906 -0.021
76 HB3 ARG 9 HB3 ARG 9 4.284 -4.419 -0.323
77 HG2 ARG 9 HG2 ARG 9 5.403 -6.219 -1.415
78 HG3 ARG 9 HG3 ARG 9 6.439 -5.731 -0.061
79 HD2 ARG 9 HD2 ARG 9 5.566 -7.656 1.261
80 HD3 ARG 9 HD3 ARG 9 4.532 -8.123 -0.101
81 HE ARG 9 HE ARG 9 7.426 -8.519 0.199
82 HH11 ARG 9 HH11 ARG 9 7.792 -10.127 -2.808
83 HH12 ARG 9 HH12 ARG 9 8.529 -9.732 -1.281
84 HH21 ARG 9 HH21 ARG 9 4.855 -8.486 -2.193
85 HH22 ARG 9 HH22 ARG 9 5.774 -9.450 -3.312
86 H MET 10 H MET 10 6.948 -5.125 1.922
87 HA MET 10 HA MET 10 7.287 -2.222 2.209
88 HB2 MET 10 HB2 MET 10 6.685 -3.071 4.509
89 HB3 MET 10 HB3 MET 10 8.149 -4.076 4.461
90 HG2 MET 10 HG2 MET 10 9.491 -1.945 4.160
91 HG3 MET 10 HG3 MET 10 7.988 -1.043 4.315
92 HE1 MET 10 HE1 MET 10 10.276 -3.225 7.680
93 HE2 MET 10 HE2 MET 10 9.592 -4.136 6.319
94 HE3 MET 10 HE3 MET 10 10.864 -2.927 6.030
95 H PHE 11 H PHE 11 9.164 -1.494 1.556
96 HA PHE 11 HA PHE 11 11.162 -3.209 0.355
97 HB2 PHE 11 HB2 PHE 11 10.875 -0.222 0.666
98 HB3 PHE 11 HB3 PHE 11 12.284 -0.971 -0.095
99 HD1 PHE 11 HD1 PHE 11 9.000 0.317 -0.720
100 HD2 PHE 11 HD2 PHE 11 11.844 -2.658 -2.043
101 HE1 PHE 11 HE1 PHE 11 7.857 0.183 -2.909
102 HE2 PHE 11 HE2 PHE 11 10.689 -2.775 -4.240
103 HZ PHE 11 HZ PHE 11 8.697 -1.348 -4.676
104 H ALA 12 H ALA 12 13.467 -3.138 0.714
105 HA ALA 12 HA ALA 12 14.219 -3.668 3.400
106 HB1 ALA 12 HB1 ALA 12 15.326 -4.602 1.401
107 HB2 ALA 12 HB2 ALA 12 15.936 -2.985 0.972
108 HB3 ALA 12 HB3 ALA 12 16.495 -3.787 2.455
109 H ASN 13 H ASN 13 14.108 -0.615 1.714
110 HA ASN 13 HA ASN 13 15.766 0.851 3.639
111 HB2 ASN 13 HB2 ASN 13 15.138 2.817 2.292
112 HB3 ASN 13 HB3 ASN 13 15.767 1.492 1.301
113 HD21 ASN 13 HD21 ASN 13 14.771 2.536 -0.518
114 H GLY 14 H GLY 14 12.687 -0.410 3.974
115 HA2 GLY 14 HA2 GLY 14 11.258 -0.114 5.783
116 HA3 GLY 14 HA3 GLY 14 12.014 1.439 6.175
117 H THR 15 H THR 15 10.936 0.963 2.863
118 HA THR 15 HA THR 15 8.734 2.930 3.262
119 HB THR 15 HB THR 15 9.869 1.784 0.694
120 HG1 THR 15 HG1 THR 15 11.369 2.959 1.653
121 HG21 THR 15 HG21 THR 15 7.850 3.983 1.230
122 HG22 THR 15 HG22 THR 15 8.776 3.876 -0.277
123 HG23 THR 15 HG23 THR 15 7.702 2.550 0.173
124 H VAL 16 H VAL 16 6.653 2.342 3.382
125 HA VAL 16 HA VAL 16 5.889 -0.495 2.923
126 HB VAL 16 HB VAL 16 4.552 1.843 4.331
127 HG11 VAL 16 HG11 VAL 16 3.447 -0.977 3.981
128 HG12 VAL 16 HG12 VAL 16 2.820 0.256 5.101
129 HG13 VAL 16 HG13 VAL 16 2.720 0.527 3.366
130 HG21 VAL 16 HG21 VAL 16 5.571 -0.845 5.352
131 HG22 VAL 16 HG22 VAL 16 6.397 0.717 5.566
132 HG23 VAL 16 HG23 VAL 16 4.825 0.430 6.331
133 H TYR 17 H TYR 17 4.352 -1.147 1.546
134 HA TYR 17 HA TYR 17 2.745 0.653 -0.118
135 HB2 TYR 17 HB2 TYR 17 3.642 -0.070 -2.217
136 HB3 TYR 17 HB3 TYR 17 4.958 0.564 -1.282
137 HD1 TYR 17 HD1 TYR 17 6.581 -1.101 -0.130
138 HD2 TYR 17 HD2 TYR 17 3.768 -2.225 -3.204
139 HE1 TYR 17 HE1 TYR 17 7.999 -3.054 -0.725
140 HE2 TYR 17 HE2 TYR 17 5.164 -4.211 -3.753
141 HH TYR 17 HH TYR 17 8.338 -4.749 -2.210
142 H TYR 18 H TYR 18 1.791 -1.154 -1.906
143 HA TYR 18 HA TYR 18 0.737 -3.446 -0.302
144 HB2 TYR 18 HB2 TYR 18 -0.785 -1.665 -2.241
145 HB3 TYR 18 HB3 TYR 18 -1.430 -3.045 -1.339
146 HD1 TYR 18 HD1 TYR 18 -0.235 0.454 -1.087
147 HD2 TYR 18 HD2 TYR 18 -1.971 -2.871 1.042
148 HE1 TYR 18 HE1 TYR 18 -0.710 1.946 0.831
149 HE2 TYR 18 HE2 TYR 18 -2.496 -1.355 2.958
150 HH TYR 18 HH TYR 18 -1.554 2.092 2.950
151 H PHE 19 H PHE 19 0.407 -5.341 -1.356
152 HA PHE 19 HA PHE 19 1.236 -5.605 -4.216
153 HB2 PHE 19 HB2 PHE 19 3.199 -6.017 -2.885
154 HB3 PHE 19 HB3 PHE 19 2.313 -7.157 -1.857
155 HD1 PHE 19 HD1 PHE 19 3.431 -6.512 -5.336
156 HD2 PHE 19 HD2 PHE 19 2.070 -9.502 -2.534
157 HE1 PHE 19 HE1 PHE 19 3.929 -8.264 -6.981
158 HE2 PHE 19 HE2 PHE 19 2.648 -11.278 -4.166
159 HZ PHE 19 HZ PHE 19 3.576 -10.679 -6.395
160 H ASN 20 H ASN 20 0.070 -6.992 -5.421
161 HA ASN 20 HA ASN 20 -2.169 -8.403 -4.081
162 HB2 ASN 20 HB2 ASN 20 -2.534 -6.789 -5.992
163 HB3 ASN 20 HB3 ASN 20 -1.762 -7.980 -7.053
164 HD21 ASN 20 HD21 ASN 20 -4.716 -6.915 -6.138
165 HD22 ASN 20 HD22 ASN 20 -5.627 -8.416 -6.167
166 H HIS 21 H HIS 21 -1.860 -10.477 -3.537
167 HA HIS 21 HA HIS 21 0.377 -12.001 -4.575
168 HB2 HIS 21 HB2 HIS 21 -0.029 -13.469 -2.891
169 HB3 HIS 21 HB3 HIS 21 -0.741 -12.010 -2.207
170 HD2 HIS 21 HD2 HIS 21 -3.317 -12.128 -1.563
171 HE1 HIS 21 HE1 HIS 21 -4.105 -16.102 -2.885
172 HE2 HIS 21 HE2 HIS 21 -5.029 -14.126 -1.573
173 H ILE 22 H ILE 22 -2.936 -11.744 -5.599
174 HA ILE 22 HA ILE 22 -3.016 -14.324 -7.010
175 HB ILE 22 HB ILE 22 -4.952 -11.965 -6.970
176 HG12 ILE 22 HG12 ILE 22 -4.972 -14.571 -5.361
177 HG13 ILE 22 HG13 ILE 22 -4.627 -12.958 -4.716
178 HG21 ILE 22 HG21 ILE 22 -6.615 -13.566 -7.845
179 HG22 ILE 22 HG22 ILE 22 -5.272 -13.391 -8.956
180 HG23 ILE 22 HG23 ILE 22 -5.367 -14.832 -7.917
181 HD11 ILE 22 HD11 ILE 22 -6.826 -13.441 -4.076
182 HD12 ILE 22 HD12 ILE 22 -6.958 -12.256 -5.391
183 HD13 ILE 22 HD13 ILE 22 -7.297 -13.979 -5.698
184 H THR 23 H THR 23 -2.732 -10.875 -7.777
185 HA THR 23 HA THR 23 -2.434 -11.470 -10.665
186 HB THR 23 HB THR 23 -3.301 -9.390 -11.179
187 HG1 THR 23 HG1 THR 23 -3.822 -8.104 -9.107
188 HG21 THR 23 HG21 THR 23 -4.866 -10.095 -8.654
189 HG22 THR 23 HG22 THR 23 -5.436 -9.222 -10.089
190 HG23 THR 23 HG23 THR 23 -5.039 -10.944 -10.207
191 H ASN 24 H ASN 24 -0.373 -10.706 -8.173
192 HA ASN 24 HA ASN 24 1.716 -10.017 -7.960
193 HB2 ASN 24 HB2 ASN 24 2.004 -10.614 -10.920
194 HB3 ASN 24 HB3 ASN 24 3.335 -10.355 -9.783
195 HD21 ASN 24 HD21 ASN 24 1.608 -12.772 -11.272
196 HD22 ASN 24 HD22 ASN 24 1.928 -14.045 -10.090
197 H ALA 25 H ALA 25 -0.421 -8.001 -8.947
198 HA ALA 25 HA ALA 25 1.123 -5.769 -9.971
199 HB1 ALA 25 HB1 ALA 25 -1.598 -5.886 -8.598
200 HB2 ALA 25 HB2 ALA 25 -0.940 -4.507 -9.507
201 HB3 ALA 25 HB3 ALA 25 -1.307 -6.026 -10.345
202 H SER 26 H SER 26 1.661 -3.826 -8.848
203 HA SER 26 HA SER 26 1.693 -3.891 -5.883
204 HB2 SER 26 HB2 SER 26 3.932 -2.925 -5.809
205 HB3 SER 26 HB3 SER 26 3.923 -4.552 -6.497
206 HG SER 26 HG SER 26 5.222 -3.129 -7.716
207 H GLN 27 H GLN 27 1.558 -1.883 -4.855
208 HA GLN 27 HA GLN 27 1.037 0.569 -6.411
209 HB2 GLN 27 HB2 GLN 27 -1.017 -0.505 -6.788
210 HB3 GLN 27 HB3 GLN 27 -1.068 -1.197 -5.168
211 HG2 GLN 27 HG2 GLN 27 -2.777 0.505 -5.467
212 HG3 GLN 27 HG3 GLN 27 -1.646 0.875 -4.179
213 HE21 GLN 27 HE21 GLN 27 -2.383 3.050 -4.319
214 HE22 GLN 27 HE22 GLN 27 -1.643 4.144 -5.500
215 H PHE 28 H PHE 28 1.048 2.438 -5.197
216 HA PHE 28 HA PHE 28 2.267 2.134 -2.537
217 HB2 PHE 28 HB2 PHE 28 2.341 4.367 -4.523
218 HB3 PHE 28 HB3 PHE 28 2.817 4.599 -2.838
219 HD1 PHE 28 HD1 PHE 28 3.753 3.026 -6.027
220 HD2 PHE 28 HD2 PHE 28 4.772 3.444 -1.853
221 HE1 PHE 28 HE1 PHE 28 6.033 2.150 -6.491
222 HE2 PHE 28 HE2 PHE 28 7.050 2.579 -2.325
223 HZ PHE 28 HZ PHE 28 7.686 1.938 -4.647
224 H GLU 29 H GLU 29 -0.330 4.311 -3.709
225 HA GLU 29 HA GLU 29 -1.179 4.924 -0.974
226 HB2 GLU 29 HB2 GLU 29 -2.752 5.352 -3.552
227 HB3 GLU 29 HB3 GLU 29 -3.003 6.089 -1.985
228 HG2 GLU 29 HG2 GLU 29 -1.974 7.794 -3.106
229 HG3 GLU 29 HG3 GLU 29 -0.624 7.088 -2.227
230 H ARG 30 H ARG 30 -3.273 4.302 -0.074
231 HA ARG 30 HA ARG 30 -3.614 1.547 0.107
232 HB2 ARG 30 HB2 ARG 30 -4.405 3.572 1.573
233 HB3 ARG 30 HB3 ARG 30 -5.906 3.452 0.677
234 HG2 ARG 30 HG2 ARG 30 -4.578 1.282 2.360
235 HG3 ARG 30 HG3 ARG 30 -5.934 2.298 2.856
236 HD2 ARG 30 HD2 ARG 30 -5.950 0.148 0.710
237 HD3 ARG 30 HD3 ARG 30 -6.672 0.037 2.305
238 HE ARG 30 HE ARG 30 -7.829 1.176 -0.063
239 HH11 ARG 30 HH11 ARG 30 -9.896 2.029 -0.023
240 HH12 ARG 30 HH12 ARG 30 -10.593 2.503 1.499
241 HH21 ARG 30 HH21 ARG 30 -7.924 1.590 3.426
242 HH22 ARG 30 HH22 ARG 30 -9.532 2.262 3.384
243 HA PRO 31 HA PRO 31 -5.573 0.688 -3.867
244 HB2 PRO 31 HB2 PRO 31 -6.186 -1.907 -2.430
245 HB3 PRO 31 HB3 PRO 31 -5.650 -1.666 -4.125
246 HG2 PRO 31 HG2 PRO 31 -3.856 -2.367 -2.230
247 HG3 PRO 31 HG3 PRO 31 -3.439 -1.071 -3.400
248 HD2 PRO 31 HD2 PRO 31 -4.365 -0.797 -0.537
249 HD3 PRO 31 HD3 PRO 31 -3.112 0.112 -1.421
250 H SER 32 H SER 32 -7.606 0.917 -4.717
251 HA SER 32 HA SER 32 -9.714 1.767 -4.750
252 HB2 SER 32 HB2 SER 32 -10.254 -0.527 -2.842
253 HB3 SER 32 HB3 SER 32 -11.492 0.428 -3.674
254 HG SER 32 HG SER 32 -11.010 -1.441 -4.854
255 H GLY 33 H GLY 33 -8.400 3.534 -3.501
256 HA2 GLY 33 HA2 GLY 33 -10.195 4.848 -1.669
257 HA3 GLY 33 HA3 GLY 33 -8.792 4.204 -0.809
258 H1' ALL 101 H1 ALL 34 11.868 1.903 -0.741
259 H2' ALL 101 H2 ALL 34 13.475 4.066 -2.210
260 H3' ALL 101 H3 ALL 34 11.365 4.604 -3.359
261 H4' ALL 101 H4 ALL 34 12.829 3.013 -4.476
262 H5' ALL 101 H5 ALL 34 11.368 0.794 -2.973
263 H6'1 ALL 101 H62 ALL 34 12.294 0.181 -5.274
264 H6'2 ALL 101 H61 ALL 34 12.960 -0.745 -3.914
265 HO'2 ALL 101 H2O ALL 34 11.388 4.277 -0.249
266 HO'3 ALL 101 H3O ALL 34 9.670 2.955 -3.126
267 HO'4 ALL 101 H4O ALL 34 11.229 2.113 -5.763
268 HO'6 ALL 101 H6O ALL 34 14.688 0.834 -3.857
Start of MODEL 11
1 H1 LYS 1 H1 LYS 1 -10.368 -7.365 6.198
2 H2 LYS 1 H2 LYS 1 -9.680 -8.256 5.006
3 H3 LYS 1 H3 LYS 1 -10.879 -7.198 4.652
4 HA LYS 1 HA LYS 1 -9.514 -5.324 5.251
5 HB2 LYS 1 HB2 LYS 1 -8.192 -6.643 6.975
6 HB3 LYS 1 HB3 LYS 1 -7.296 -7.373 5.644
7 HG2 LYS 1 HG2 LYS 1 -6.699 -4.921 4.953
8 HG3 LYS 1 HG3 LYS 1 -7.372 -4.458 6.515
9 HD2 LYS 1 HD2 LYS 1 -5.031 -4.629 6.834
10 HD3 LYS 1 HD3 LYS 1 -5.692 -6.098 7.572
11 HE2 LYS 1 HE2 LYS 1 -5.145 -7.362 5.475
12 HE3 LYS 1 HE3 LYS 1 -4.530 -5.872 4.751
13 HZ1 LYS 1 HZ1 LYS 1 -2.855 -5.815 6.551
14 HZ2 LYS 1 HZ2 LYS 1 -3.370 -7.275 7.089
15 HZ3 LYS 1 HZ3 LYS 1 -2.715 -7.128 5.588
16 H LEU 2 H LEU 2 -8.901 -4.274 3.462
17 HA LEU 2 HA LEU 2 -8.400 -3.743 1.359
18 HB2 LEU 2 HB2 LEU 2 -6.457 -6.040 1.734
19 HB3 LEU 2 HB3 LEU 2 -6.477 -5.088 0.260
20 HG LEU 2 HG LEU 2 -6.123 -3.789 2.981
21 HD11 LEU 2 HD11 LEU 2 -4.322 -5.447 2.586
22 HD12 LEU 2 HD12 LEU 2 -3.973 -4.686 1.020
23 HD13 LEU 2 HD13 LEU 2 -3.721 -3.783 2.533
24 HD21 LEU 2 HD21 LEU 2 -5.488 -2.905 0.131
25 HD22 LEU 2 HD22 LEU 2 -6.774 -2.244 1.167
26 HD23 LEU 2 HD23 LEU 2 -5.080 -1.999 1.604
27 HA PRO 3 HA PRO 3 -10.771 -5.948 -1.664
28 HB2 PRO 3 HB2 PRO 3 -8.896 -5.276 -3.868
29 HB3 PRO 3 HB3 PRO 3 -10.605 -4.803 -3.650
30 HG2 PRO 3 HG2 PRO 3 -8.535 -3.039 -3.335
31 HG3 PRO 3 HG3 PRO 3 -10.031 -2.953 -2.335
32 HD2 PRO 3 HD2 PRO 3 -7.360 -4.165 -1.623
33 HD3 PRO 3 HD3 PRO 3 -8.419 -3.094 -0.652
34 HA PRO 4 HA PRO 4 -9.425 -10.008 -2.363
35 HB2 PRO 4 HB2 PRO 4 -9.929 -9.776 -5.339
36 HB3 PRO 4 HB3 PRO 4 -10.404 -11.087 -4.212
37 HG2 PRO 4 HG2 PRO 4 -12.214 -9.211 -4.909
38 HG3 PRO 4 HG3 PRO 4 -12.067 -9.689 -3.184
39 HD2 PRO 4 HD2 PRO 4 -10.909 -7.257 -4.570
40 HD3 PRO 4 HD3 PRO 4 -11.749 -7.372 -2.992
41 H GLY 5 H GLY 5 -7.461 -10.774 -2.184
42 HA2 GLY 5 HA2 GLY 5 -5.365 -11.551 -2.766
43 HA3 GLY 5 HA3 GLY 5 -5.467 -10.698 -4.316
44 H TRP 6 H TRP 6 -6.064 -8.131 -2.480
45 HA TRP 6 HA TRP 6 -3.291 -7.249 -2.502
46 HB2 TRP 6 HB2 TRP 6 -5.857 -5.909 -1.701
47 HB3 TRP 6 HB3 TRP 6 -4.274 -5.143 -1.522
48 HD1 TRP 6 HD1 TRP 6 -6.868 -6.059 -4.101
49 HE1 TRP 6 HE1 TRP 6 -6.311 -4.984 -6.367
50 HE3 TRP 6 HE3 TRP 6 -2.136 -4.425 -3.064
51 HZ2 TRP 6 HZ2 TRP 6 -4.062 -3.663 -7.596
52 HZ3 TRP 6 HZ3 TRP 6 -0.815 -3.217 -4.807
53 HH2 TRP 6 HH2 TRP 6 -1.753 -2.863 -7.069
54 H GLU 7 H GLU 7 -1.880 -6.888 -0.927
55 HA GLU 7 HA GLU 7 -2.606 -6.919 1.922
56 HB2 GLU 7 HB2 GLU 7 -2.296 -9.247 1.578
57 HB3 GLU 7 HB3 GLU 7 -0.907 -8.997 0.538
58 HG2 GLU 7 HG2 GLU 7 -0.269 -10.000 2.629
59 HG3 GLU 7 HG3 GLU 7 0.512 -8.453 2.390
60 H LYS 8 H LYS 8 -0.992 -6.010 3.286
61 HA LYS 8 HA LYS 8 0.648 -3.948 2.032
62 HB2 LYS 8 HB2 LYS 8 0.202 -4.789 4.901
63 HB3 LYS 8 HB3 LYS 8 1.505 -3.670 4.466
64 HG2 LYS 8 HG2 LYS 8 -0.088 -2.160 3.358
65 HG3 LYS 8 HG3 LYS 8 -1.411 -3.272 3.715
66 HD2 LYS 8 HD2 LYS 8 -1.508 -1.484 5.306
67 HD3 LYS 8 HD3 LYS 8 -0.967 -2.928 6.175
68 HE2 LYS 8 HE2 LYS 8 1.397 -2.119 6.005
69 HE3 LYS 8 HE3 LYS 8 0.837 -0.700 5.113
70 HZ1 LYS 8 HZ1 LYS 8 -0.435 -0.045 7.082
71 HZ2 LYS 8 HZ2 LYS 8 0.072 -1.363 7.907
72 HZ3 LYS 8 HZ3 LYS 8 1.141 -0.209 7.472
73 H ARG 9 H ARG 9 2.750 -3.658 1.948
74 HA ARG 9 HA ARG 9 4.678 -5.882 2.420
75 HB2 ARG 9 HB2 ARG 9 3.451 -5.576 -0.055
76 HB3 ARG 9 HB3 ARG 9 4.771 -4.441 -0.213
77 HG2 ARG 9 HG2 ARG 9 5.718 -6.349 -1.067
78 HG3 ARG 9 HG3 ARG 9 6.262 -6.490 0.614
79 HD2 ARG 9 HD2 ARG 9 3.973 -7.944 -0.780
80 HD3 ARG 9 HD3 ARG 9 5.487 -8.639 -0.182
81 HE ARG 9 HE ARG 9 3.352 -7.474 1.598
82 HH11 ARG 9 HH11 ARG 9 5.540 -10.176 1.049
83 HH12 ARG 9 HH12 ARG 9 5.057 -10.933 2.546
84 HH21 ARG 9 HH21 ARG 9 2.867 -8.415 3.414
85 HH22 ARG 9 HH22 ARG 9 3.557 -9.966 3.861
86 H MET 10 H MET 10 6.978 -5.083 1.987
87 HA MET 10 HA MET 10 7.362 -2.200 2.378
88 HB2 MET 10 HB2 MET 10 6.750 -3.062 4.638
89 HB3 MET 10 HB3 MET 10 8.131 -4.176 4.557
90 HG2 MET 10 HG2 MET 10 9.615 -2.125 4.290
91 HG3 MET 10 HG3 MET 10 8.202 -1.135 4.638
92 HE1 MET 10 HE1 MET 10 7.135 -0.880 7.076
93 HE2 MET 10 HE2 MET 10 6.672 -2.596 6.954
94 HE3 MET 10 HE3 MET 10 7.494 -1.995 8.408
95 H PHE 11 H PHE 11 9.227 -1.488 1.691
96 HA PHE 11 HA PHE 11 11.204 -3.184 0.438
97 HB2 PHE 11 HB2 PHE 11 10.930 -0.205 0.820
98 HB3 PHE 11 HB3 PHE 11 12.340 -0.934 0.047
99 HD1 PHE 11 HD1 PHE 11 9.058 0.366 -0.556
100 HD2 PHE 11 HD2 PHE 11 11.914 -2.566 -1.946
101 HE1 PHE 11 HE1 PHE 11 7.925 0.289 -2.755
102 HE2 PHE 11 HE2 PHE 11 10.772 -2.623 -4.152
103 HZ PHE 11 HZ PHE 11 8.779 -1.188 -4.559
104 H ALA 12 H ALA 12 13.521 -3.119 0.770
105 HA ALA 12 HA ALA 12 14.312 -3.715 3.429
106 HB1 ALA 12 HB1 ALA 12 16.578 -3.783 2.454
107 HB2 ALA 12 HB2 ALA 12 15.403 -4.579 1.390
108 HB3 ALA 12 HB3 ALA 12 15.992 -2.943 1.002
109 H ASN 13 H ASN 13 14.151 -0.613 1.835
110 HA ASN 13 HA ASN 13 15.819 0.803 3.794
111 HB2 ASN 13 HB2 ASN 13 15.198 2.802 2.494
112 HB3 ASN 13 HB3 ASN 13 15.824 1.501 1.471
113 HD21 ASN 13 HD21 ASN 13 14.835 2.584 -0.325
114 H GLY 14 H GLY 14 12.740 -0.463 4.095
115 HA2 GLY 14 HA2 GLY 14 11.311 -0.210 5.912
116 HA3 GLY 14 HA3 GLY 14 12.065 1.336 6.338
117 H THR 15 H THR 15 10.994 0.957 3.017
118 HA THR 15 HA THR 15 8.789 2.909 3.467
119 HB THR 15 HB THR 15 9.944 1.828 0.877
120 HG1 THR 15 HG1 THR 15 11.435 2.987 1.867
121 HG21 THR 15 HG21 THR 15 8.852 3.936 -0.057
122 HG22 THR 15 HG22 THR 15 7.780 2.593 0.359
123 HG23 THR 15 HG23 THR 15 7.913 4.006 1.446
124 H VAL 16 H VAL 16 6.661 2.401 3.356
125 HA VAL 16 HA VAL 16 5.894 -0.442 2.953
126 HB VAL 16 HB VAL 16 4.476 1.966 4.149
127 HG11 VAL 16 HG11 VAL 16 2.710 0.612 3.117
128 HG12 VAL 16 HG12 VAL 16 3.380 -0.864 3.853
129 HG13 VAL 16 HG13 VAL 16 2.683 0.423 4.865
130 HG21 VAL 16 HG21 VAL 16 5.415 -0.673 5.352
131 HG22 VAL 16 HG22 VAL 16 6.218 0.903 5.565
132 HG23 VAL 16 HG23 VAL 16 4.596 0.637 6.226
133 H TYR 17 H TYR 17 4.432 -1.137 1.504
134 HA TYR 17 HA TYR 17 2.931 0.641 -0.269
135 HB2 TYR 17 HB2 TYR 17 3.791 -0.249 -2.334
136 HB3 TYR 17 HB3 TYR 17 5.097 0.461 -1.435
137 HD1 TYR 17 HD1 TYR 17 6.717 -1.104 -0.143
138 HD2 TYR 17 HD2 TYR 17 3.966 -2.464 -3.185
139 HE1 TYR 17 HE1 TYR 17 8.158 -3.091 -0.584
140 HE2 TYR 17 HE2 TYR 17 5.404 -4.439 -3.606
141 HH TYR 17 HH TYR 17 7.390 -5.470 -3.123
142 H TYR 18 H TYR 18 1.815 -1.043 -1.963
143 HA TYR 18 HA TYR 18 0.693 -3.315 -0.375
144 HB2 TYR 18 HB2 TYR 18 -0.747 -1.467 -2.310
145 HB3 TYR 18 HB3 TYR 18 -1.445 -2.848 -1.454
146 HD1 TYR 18 HD1 TYR 18 -2.157 -2.682 0.853
147 HD2 TYR 18 HD2 TYR 18 -0.082 0.584 -1.051
148 HE1 TYR 18 HE1 TYR 18 -2.744 -1.183 2.763
149 HE2 TYR 18 HE2 TYR 18 -0.611 2.058 0.870
150 HH TYR 18 HH TYR 18 -1.638 2.214 2.906
151 H PHE 19 H PHE 19 0.300 -5.207 -1.433
152 HA PHE 19 HA PHE 19 1.117 -5.493 -4.290
153 HB2 PHE 19 HB2 PHE 19 3.083 -5.918 -2.919
154 HB3 PHE 19 HB3 PHE 19 2.163 -7.057 -1.918
155 HD1 PHE 19 HD1 PHE 19 3.215 -6.401 -5.433
156 HD2 PHE 19 HD2 PHE 19 2.090 -9.400 -2.542
157 HE1 PHE 19 HE1 PHE 19 3.731 -8.156 -7.074
158 HE2 PHE 19 HE2 PHE 19 2.679 -11.176 -4.172
159 HZ PHE 19 HZ PHE 19 3.492 -10.573 -6.445
160 H ASN 20 H ASN 20 -0.071 -6.916 -5.465
161 HA ASN 20 HA ASN 20 -2.224 -8.399 -4.048
162 HB2 ASN 20 HB2 ASN 20 -2.758 -6.801 -5.932
163 HB3 ASN 20 HB3 ASN 20 -1.966 -7.949 -7.030
164 HD21 ASN 20 HD21 ASN 20 -5.751 -8.634 -5.869
165 HD22 ASN 20 HD22 ASN 20 -4.929 -7.081 -5.767
166 H HIS 21 H HIS 21 -1.849 -10.473 -3.555
167 HA HIS 21 HA HIS 21 0.430 -11.888 -4.655
168 HB2 HIS 21 HB2 HIS 21 0.109 -13.411 -2.993
169 HB3 HIS 21 HB3 HIS 21 -0.614 -11.978 -2.266
170 HD2 HIS 21 HD2 HIS 21 -3.171 -12.164 -1.555
171 HE1 HIS 21 HE1 HIS 21 -3.893 -16.145 -2.894
172 HE2 HIS 21 HE2 HIS 21 -4.830 -14.208 -1.536
173 H ILE 22 H ILE 22 -2.906 -11.764 -5.618
174 HA ILE 22 HA ILE 22 -2.915 -14.344 -7.025
175 HB ILE 22 HB ILE 22 -4.942 -12.066 -6.966
176 HG12 ILE 22 HG12 ILE 22 -4.833 -14.637 -5.311
177 HG13 ILE 22 HG13 ILE 22 -4.527 -13.001 -4.700
178 HG21 ILE 22 HG21 ILE 22 -5.240 -13.542 -8.917
179 HG22 ILE 22 HG22 ILE 22 -5.260 -14.964 -7.848
180 HG23 ILE 22 HG23 ILE 22 -6.555 -13.746 -7.777
181 HD11 ILE 22 HD11 ILE 22 -6.693 -13.550 -4.003
182 HD12 ILE 22 HD12 ILE 22 -6.890 -12.384 -5.328
183 HD13 ILE 22 HD13 ILE 22 -7.184 -14.119 -5.608
184 H THR 23 H THR 23 -2.780 -10.889 -7.804
185 HA THR 23 HA THR 23 -2.498 -11.474 -10.699
186 HB THR 23 HB THR 23 -3.457 -9.406 -11.181
187 HG1 THR 23 HG1 THR 23 -4.059 -8.166 -9.140
188 HG21 THR 23 HG21 THR 23 -5.103 -11.095 -10.278
189 HG22 THR 23 HG22 THR 23 -4.996 -10.289 -8.698
190 HG23 THR 23 HG23 THR 23 -5.608 -9.406 -10.110
191 H ASN 24 H ASN 24 -0.445 -10.627 -8.230
192 HA ASN 24 HA ASN 24 1.607 -9.827 -8.040
193 HB2 ASN 24 HB2 ASN 24 1.881 -10.356 -11.015
194 HB3 ASN 24 HB3 ASN 24 3.211 -10.059 -9.886
195 HD21 ASN 24 HD21 ASN 24 1.586 -12.521 -11.412
196 HD22 ASN 24 HD22 ASN 24 1.980 -13.804 -10.262
197 H ALA 25 H ALA 25 -0.650 -7.913 -8.926
198 HA ALA 25 HA ALA 25 0.703 -5.590 -9.987
199 HB1 ALA 25 HB1 ALA 25 -1.741 -5.957 -10.152
200 HB2 ALA 25 HB2 ALA 25 -1.880 -5.843 -8.384
201 HB3 ALA 25 HB3 ALA 25 -1.364 -4.431 -9.329
202 H SER 26 H SER 26 1.308 -3.669 -8.877
203 HA SER 26 HA SER 26 1.577 -3.750 -5.931
204 HB2 SER 26 HB2 SER 26 3.899 -2.913 -6.048
205 HB3 SER 26 HB3 SER 26 3.714 -4.569 -6.621
206 HG SER 26 HG SER 26 3.861 -2.255 -8.281
207 H GLN 27 H GLN 27 1.458 -1.761 -4.914
208 HA GLN 27 HA GLN 27 1.343 0.742 -6.472
209 HB2 GLN 27 HB2 GLN 27 -0.858 -0.281 -6.852
210 HB3 GLN 27 HB3 GLN 27 -1.076 -0.508 -5.117
211 HG2 GLN 27 HG2 GLN 27 -2.403 1.352 -5.927
212 HG3 GLN 27 HG3 GLN 27 -1.197 1.896 -4.773
213 HE21 GLN 27 HE21 GLN 27 -1.796 1.681 -8.332
214 HE22 GLN 27 HE22 GLN 27 -0.751 3.054 -8.709
215 H PHE 28 H PHE 28 1.451 2.612 -5.206
216 HA PHE 28 HA PHE 28 2.424 2.215 -2.442
217 HB2 PHE 28 HB2 PHE 28 2.596 4.538 -4.347
218 HB3 PHE 28 HB3 PHE 28 2.985 4.681 -2.631
219 HD1 PHE 28 HD1 PHE 28 4.892 3.449 -1.615
220 HD2 PHE 28 HD2 PHE 28 4.121 3.369 -5.859
221 HE1 PHE 28 HE1 PHE 28 7.210 2.658 -2.025
222 HE2 PHE 28 HE2 PHE 28 6.439 2.567 -6.263
223 HZ PHE 28 HZ PHE 28 7.988 2.221 -4.351
224 H GLU 29 H GLU 29 -0.242 3.908 -3.994
225 HA GLU 29 HA GLU 29 -1.398 4.872 -1.491
226 HB2 GLU 29 HB2 GLU 29 -1.795 6.139 -3.469
227 HB3 GLU 29 HB3 GLU 29 -2.277 4.719 -4.380
228 HG2 GLU 29 HG2 GLU 29 -4.154 6.149 -3.991
229 HG3 GLU 29 HG3 GLU 29 -4.395 4.588 -3.234
230 H ARG 30 H ARG 30 -3.370 4.099 -0.510
231 HA ARG 30 HA ARG 30 -3.509 1.255 -0.221
232 HB2 ARG 30 HB2 ARG 30 -4.314 3.078 1.418
233 HB3 ARG 30 HB3 ARG 30 -5.787 3.135 0.452
234 HG2 ARG 30 HG2 ARG 30 -5.440 0.377 0.914
235 HG3 ARG 30 HG3 ARG 30 -4.807 1.114 2.390
236 HD2 ARG 30 HD2 ARG 30 -7.043 0.742 2.887
237 HD3 ARG 30 HD3 ARG 30 -7.032 2.458 2.446
238 HE ARG 30 HE ARG 30 -7.562 0.882 0.103
239 HH11 ARG 30 HH11 ARG 30 -9.287 1.743 3.052
240 HH12 ARG 30 HH12 ARG 30 -10.828 1.372 2.308
241 HH21 ARG 30 HH21 ARG 30 -9.465 0.414 -0.686
242 HH22 ARG 30 HH22 ARG 30 -10.951 0.650 0.236
243 HA PRO 31 HA PRO 31 -5.650 0.273 -4.052
244 HB2 PRO 31 HB2 PRO 31 -6.427 -2.144 -2.402
245 HB3 PRO 31 HB3 PRO 31 -5.927 -2.081 -4.125
246 HG2 PRO 31 HG2 PRO 31 -4.135 -2.762 -2.218
247 HG3 PRO 31 HG3 PRO 31 -3.657 -1.601 -3.506
248 HD2 PRO 31 HD2 PRO 31 -4.445 -1.042 -0.649
249 HD3 PRO 31 HD3 PRO 31 -3.172 -0.300 -1.657
250 H SER 32 H SER 32 -7.670 0.605 -4.896
251 HA SER 32 HA SER 32 -9.563 1.931 -3.227
252 HB2 SER 32 HB2 SER 32 -9.116 2.549 -5.560
253 HB3 SER 32 HB3 SER 32 -9.848 1.029 -6.112
254 HG SER 32 HG SER 32 -11.309 2.813 -6.150
255 H GLY 33 H GLY 33 -11.446 1.373 -2.332
256 HA2 GLY 33 HA2 GLY 33 -13.221 -0.744 -2.931
257 HA3 GLY 33 HA3 GLY 33 -12.070 -1.363 -1.743
258 H1' ALL 101 H1 ALL 34 11.925 1.978 -0.562
259 H2' ALL 101 H2 ALL 34 13.550 4.166 -1.974
260 H3' ALL 101 H3 ALL 34 11.444 4.748 -3.111
261 H4' ALL 101 H4 ALL 34 12.892 3.172 -4.269
262 H5' ALL 101 H5 ALL 34 11.414 0.930 -2.816
263 H6'1 ALL 101 H62 ALL 34 12.328 0.364 -5.133
264 H6'2 ALL 101 H61 ALL 34 12.995 -0.599 -3.799
265 HO'2 ALL 101 H2O ALL 34 11.459 4.344 -0.016
266 HO'3 ALL 101 H3O ALL 34 9.731 3.120 -2.917
267 HO'4 ALL 101 H4O ALL 34 11.283 2.323 -5.576
268 HO'6 ALL 101 H6O ALL 34 14.732 0.967 -3.713
Start of MODEL 12
1 H1 LYS 1 H1 LYS 1 -12.033 -3.158 5.288
2 H2 LYS 1 H2 LYS 1 -11.538 -4.671 4.878
3 H3 LYS 1 H3 LYS 1 -12.121 -3.650 3.728
4 HA LYS 1 HA LYS 1 -10.299 -2.175 3.949
5 HB2 LYS 1 HB2 LYS 1 -9.352 -4.094 6.104
6 HB3 LYS 1 HB3 LYS 1 -8.293 -2.947 5.271
7 HG2 LYS 1 HG2 LYS 1 -9.730 -1.056 6.018
8 HG3 LYS 1 HG3 LYS 1 -10.767 -2.197 6.885
9 HD2 LYS 1 HD2 LYS 1 -9.266 -1.169 8.461
10 HD3 LYS 1 HD3 LYS 1 -8.830 -2.875 8.298
11 HE2 LYS 1 HE2 LYS 1 -6.964 -2.248 6.766
12 HE3 LYS 1 HE3 LYS 1 -7.432 -0.547 6.894
13 HZ1 LYS 1 HZ1 LYS 1 -6.515 -2.234 9.161
14 HZ2 LYS 1 HZ2 LYS 1 -5.624 -1.085 8.419
15 HZ3 LYS 1 HZ3 LYS 1 -6.944 -0.661 9.278
16 H LEU 2 H LEU 2 -9.186 -2.304 2.222
17 HA LEU 2 HA LEU 2 -8.185 -2.905 0.365
18 HB2 LEU 2 HB2 LEU 2 -7.136 -5.215 2.007
19 HB3 LEU 2 HB3 LEU 2 -6.751 -4.998 0.305
20 HG LEU 2 HG LEU 2 -5.731 -2.800 0.767
21 HD11 LEU 2 HD11 LEU 2 -6.106 -3.481 3.706
22 HD12 LEU 2 HD12 LEU 2 -5.017 -2.230 3.049
23 HD13 LEU 2 HD13 LEU 2 -6.765 -2.068 2.840
24 HD21 LEU 2 HD21 LEU 2 -3.725 -3.762 1.923
25 HD22 LEU 2 HD22 LEU 2 -4.689 -5.186 2.344
26 HD23 LEU 2 HD23 LEU 2 -4.362 -4.799 0.640
27 HA PRO 3 HA PRO 3 -10.964 -5.659 -1.830
28 HB2 PRO 3 HB2 PRO 3 -9.983 -5.424 -4.371
29 HB3 PRO 3 HB3 PRO 3 -10.850 -4.105 -3.529
30 HG2 PRO 3 HG2 PRO 3 -7.890 -4.456 -3.928
31 HG3 PRO 3 HG3 PRO 3 -8.854 -2.962 -4.011
32 HD2 PRO 3 HD2 PRO 3 -7.364 -3.860 -1.785
33 HD3 PRO 3 HD3 PRO 3 -8.685 -2.654 -1.722
34 HA PRO 4 HA PRO 4 -9.321 -9.673 -1.954
35 HB2 PRO 4 HB2 PRO 4 -10.162 -10.005 -4.840
36 HB3 PRO 4 HB3 PRO 4 -10.409 -11.121 -3.457
37 HG2 PRO 4 HG2 PRO 4 -12.431 -9.518 -4.251
38 HG3 PRO 4 HG3 PRO 4 -12.067 -9.670 -2.498
39 HD2 PRO 4 HD2 PRO 4 -11.257 -7.461 -4.406
40 HD3 PRO 4 HD3 PRO 4 -11.929 -7.339 -2.749
41 H GLY 5 H GLY 5 -7.435 -10.707 -2.167
42 HA2 GLY 5 HA2 GLY 5 -5.413 -11.445 -3.026
43 HA3 GLY 5 HA3 GLY 5 -5.650 -10.453 -4.476
44 H TRP 6 H TRP 6 -6.044 -7.977 -2.652
45 HA TRP 6 HA TRP 6 -3.232 -7.221 -2.591
46 HB2 TRP 6 HB2 TRP 6 -5.751 -5.718 -1.874
47 HB3 TRP 6 HB3 TRP 6 -4.121 -5.044 -1.778
48 HD1 TRP 6 HD1 TRP 6 -6.625 -6.329 -4.364
49 HE1 TRP 6 HE1 TRP 6 -6.136 -5.255 -6.644
50 HE3 TRP 6 HE3 TRP 6 -2.163 -4.063 -3.260
51 HZ2 TRP 6 HZ2 TRP 6 -3.918 -3.966 -7.922
52 HZ3 TRP 6 HZ3 TRP 6 -0.890 -2.889 -5.049
53 HH2 TRP 6 HH2 TRP 6 -1.725 -2.875 -7.384
54 H GLU 7 H GLU 7 -1.884 -6.881 -0.937
55 HA GLU 7 HA GLU 7 -2.793 -6.728 1.850
56 HB2 GLU 7 HB2 GLU 7 -2.617 -9.105 1.618
57 HB3 GLU 7 HB3 GLU 7 -1.113 -8.983 0.727
58 HG2 GLU 7 HG2 GLU 7 -0.755 -9.920 2.907
59 HG3 GLU 7 HG3 GLU 7 0.124 -8.418 2.714
60 H LYS 8 H LYS 8 -1.163 -5.936 3.298
61 HA LYS 8 HA LYS 8 0.577 -3.929 2.233
62 HB2 LYS 8 HB2 LYS 8 0.221 -5.116 4.986
63 HB3 LYS 8 HB3 LYS 8 1.588 -4.047 4.644
64 HG2 LYS 8 HG2 LYS 8 0.055 -2.300 3.796
65 HG3 LYS 8 HG3 LYS 8 -1.327 -3.346 4.147
66 HD2 LYS 8 HD2 LYS 8 -1.138 -1.736 5.919
67 HD3 LYS 8 HD3 LYS 8 -0.663 -3.309 6.579
68 HE2 LYS 8 HE2 LYS 8 1.740 -2.685 6.301
69 HE3 LYS 8 HE3 LYS 8 1.257 -1.135 5.607
70 HZ1 LYS 8 HZ1 LYS 8 0.635 -2.029 8.371
71 HZ2 LYS 8 HZ2 LYS 8 1.775 -0.934 7.969
72 HZ3 LYS 8 HZ3 LYS 8 0.198 -0.589 7.731
73 H ARG 9 H ARG 9 2.674 -3.651 2.054
74 HA ARG 9 HA ARG 9 4.605 -5.877 2.324
75 HB2 ARG 9 HB2 ARG 9 3.307 -5.625 -0.047
76 HB3 ARG 9 HB3 ARG 9 4.453 -4.331 -0.285
77 HG2 ARG 9 HG2 ARG 9 5.126 -6.468 -1.299
78 HG3 ARG 9 HG3 ARG 9 6.324 -5.903 -0.121
79 HD2 ARG 9 HD2 ARG 9 5.810 -8.397 -0.113
80 HD3 ARG 9 HD3 ARG 9 5.772 -7.570 1.448
81 HE ARG 9 HE ARG 9 3.331 -7.555 1.384
82 HH11 ARG 9 HH11 ARG 9 4.791 -9.938 -0.751
83 HH12 ARG 9 HH12 ARG 9 3.374 -10.952 -0.682
84 HH21 ARG 9 HH21 ARG 9 1.613 -8.811 1.360
85 HH22 ARG 9 HH22 ARG 9 1.600 -10.316 0.471
86 H MET 10 H MET 10 6.892 -5.075 1.927
87 HA MET 10 HA MET 10 7.273 -2.184 2.224
88 HB2 MET 10 HB2 MET 10 6.678 -3.023 4.532
89 HB3 MET 10 HB3 MET 10 8.136 -4.037 4.476
90 HG2 MET 10 HG2 MET 10 9.488 -1.917 4.154
91 HG3 MET 10 HG3 MET 10 7.991 -1.003 4.312
92 HE1 MET 10 HE1 MET 10 9.580 -4.094 6.332
93 HE2 MET 10 HE2 MET 10 10.862 -2.900 6.026
94 HE3 MET 10 HE3 MET 10 10.280 -3.179 7.682
95 H PHE 11 H PHE 11 9.147 -1.490 1.531
96 HA PHE 11 HA PHE 11 11.117 -3.236 0.333
97 HB2 PHE 11 HB2 PHE 11 10.881 -0.244 0.646
98 HB3 PHE 11 HB3 PHE 11 12.274 -1.014 -0.118
99 HD1 PHE 11 HD1 PHE 11 9.007 0.323 -0.733
100 HD2 PHE 11 HD2 PHE 11 11.806 -2.690 -2.067
101 HE1 PHE 11 HE1 PHE 11 7.858 0.210 -2.922
102 HE2 PHE 11 HE2 PHE 11 10.646 -2.785 -4.262
103 HZ PHE 11 HZ PHE 11 8.674 -1.329 -4.693
104 H ALA 12 H ALA 12 13.428 -3.197 0.690
105 HA ALA 12 HA ALA 12 14.172 -3.751 3.372
106 HB1 ALA 12 HB1 ALA 12 16.448 -3.892 2.426
107 HB2 ALA 12 HB2 ALA 12 15.268 -4.685 1.366
108 HB3 ALA 12 HB3 ALA 12 15.901 -3.074 0.948
109 H ASN 13 H ASN 13 14.102 -0.686 1.706
110 HA ASN 13 HA ASN 13 15.780 0.745 3.642
111 HB2 ASN 13 HB2 ASN 13 15.184 2.727 2.300
112 HB3 ASN 13 HB3 ASN 13 15.799 1.397 1.308
113 HD21 ASN 13 HD21 ASN 13 14.828 2.441 -0.519
114 H GLY 14 H GLY 14 12.677 -0.466 3.958
115 HA2 GLY 14 HA2 GLY 14 11.252 -0.156 5.770
116 HA3 GLY 14 HA3 GLY 14 12.025 1.388 6.163
117 H THR 15 H THR 15 10.955 0.941 2.849
118 HA THR 15 HA THR 15 8.775 2.932 3.248
119 HB THR 15 HB THR 15 9.911 1.782 0.681
120 HG1 THR 15 HG1 THR 15 11.423 2.937 1.649
121 HG21 THR 15 HG21 THR 15 7.925 4.012 1.216
122 HG22 THR 15 HG22 THR 15 8.847 3.881 -0.294
123 HG23 THR 15 HG23 THR 15 7.749 2.574 0.168
124 H VAL 16 H VAL 16 6.671 2.387 3.307
125 HA VAL 16 HA VAL 16 5.892 -0.447 2.886
126 HB VAL 16 HB VAL 16 4.521 1.919 4.210
127 HG11 VAL 16 HG11 VAL 16 2.728 0.527 3.277
128 HG12 VAL 16 HG12 VAL 16 3.477 -0.935 3.962
129 HG13 VAL 16 HG13 VAL 16 2.812 0.328 5.022
130 HG21 VAL 16 HG21 VAL 16 5.601 -0.703 5.336
131 HG22 VAL 16 HG22 VAL 16 6.379 0.889 5.502
132 HG23 VAL 16 HG23 VAL 16 4.811 0.585 6.264
133 H TYR 17 H TYR 17 4.355 -1.126 1.513
134 HA TYR 17 HA TYR 17 2.791 0.659 -0.210
135 HB2 TYR 17 HB2 TYR 17 3.654 -0.173 -2.288
136 HB3 TYR 17 HB3 TYR 17 4.978 0.492 -1.384
137 HD1 TYR 17 HD1 TYR 17 6.615 -1.115 -0.196
138 HD2 TYR 17 HD2 TYR 17 3.737 -2.392 -3.152
139 HE1 TYR 17 HE1 TYR 17 8.015 -3.111 -0.722
140 HE2 TYR 17 HE2 TYR 17 5.138 -4.372 -3.668
141 HH TYR 17 HH TYR 17 7.125 -5.432 -3.280
142 H TYR 18 H TYR 18 1.733 -1.110 -1.928
143 HA TYR 18 HA TYR 18 0.634 -3.362 -0.293
144 HB2 TYR 18 HB2 TYR 18 -0.899 -1.479 -2.127
145 HB3 TYR 18 HB3 TYR 18 -1.567 -2.821 -1.184
146 HD1 TYR 18 HD1 TYR 18 -0.097 0.585 -1.003
147 HD2 TYR 18 HD2 TYR 18 -2.026 -2.575 1.218
148 HE1 TYR 18 HE1 TYR 18 -0.250 2.072 0.977
149 HE2 TYR 18 HE2 TYR 18 -2.201 -1.072 3.187
150 HH TYR 18 HH TYR 18 -0.857 2.243 3.169
151 H PHE 19 H PHE 19 0.243 -5.237 -1.365
152 HA PHE 19 HA PHE 19 1.110 -5.487 -4.221
153 HB2 PHE 19 HB2 PHE 19 3.027 -5.844 -2.772
154 HB3 PHE 19 HB3 PHE 19 2.117 -7.030 -1.818
155 HD1 PHE 19 HD1 PHE 19 3.390 -6.290 -5.233
156 HD2 PHE 19 HD2 PHE 19 2.008 -9.354 -2.533
157 HE1 PHE 19 HE1 PHE 19 4.034 -8.007 -6.872
158 HE2 PHE 19 HE2 PHE 19 2.731 -11.094 -4.151
159 HZ PHE 19 HZ PHE 19 3.745 -10.435 -6.324
160 H ASN 20 H ASN 20 -0.004 -6.892 -5.441
161 HA ASN 20 HA ASN 20 -2.234 -8.386 -4.184
162 HB2 ASN 20 HB2 ASN 20 -2.580 -6.823 -6.117
163 HB3 ASN 20 HB3 ASN 20 -1.655 -7.948 -7.129
164 HD21 ASN 20 HD21 ASN 20 -4.693 -7.066 -6.613
165 HD22 ASN 20 HD22 ASN 20 -5.507 -8.615 -6.811
166 H HIS 21 H HIS 21 -1.848 -10.439 -3.570
167 HA HIS 21 HA HIS 21 0.487 -11.890 -4.490
168 HB2 HIS 21 HB2 HIS 21 0.043 -13.383 -2.823
169 HB3 HIS 21 HB3 HIS 21 -0.696 -11.922 -2.171
170 HD2 HIS 21 HD2 HIS 21 -3.286 -12.061 -1.591
171 HE1 HIS 21 HE1 HIS 21 -4.000 -16.054 -2.899
172 HE2 HIS 21 HE2 HIS 21 -4.978 -14.078 -1.628
173 H ILE 22 H ILE 22 -2.773 -11.771 -5.673
174 HA ILE 22 HA ILE 22 -2.730 -14.394 -6.993
175 HB ILE 22 HB ILE 22 -4.728 -12.095 -7.155
176 HG12 ILE 22 HG12 ILE 22 -4.760 -14.566 -5.356
177 HG13 ILE 22 HG13 ILE 22 -4.463 -12.903 -4.820
178 HG21 ILE 22 HG21 ILE 22 -5.029 -15.036 -7.891
179 HG22 ILE 22 HG22 ILE 22 -6.308 -13.800 -7.974
180 HG23 ILE 22 HG23 ILE 22 -4.920 -13.680 -9.037
181 HD11 ILE 22 HD11 ILE 22 -6.765 -12.280 -5.610
182 HD12 ILE 22 HD12 ILE 22 -7.080 -14.020 -5.839
183 HD13 ILE 22 HD13 ILE 22 -6.679 -13.395 -4.231
184 H THR 23 H THR 23 -2.495 -10.969 -7.876
185 HA THR 23 HA THR 23 -2.040 -11.658 -10.729
186 HB THR 23 HB THR 23 -2.983 -9.628 -11.356
187 HG1 THR 23 HG1 THR 23 -3.700 -8.292 -9.416
188 HG21 THR 23 HG21 THR 23 -5.192 -9.583 -10.412
189 HG22 THR 23 HG22 THR 23 -4.678 -11.275 -10.474
190 HG23 THR 23 HG23 THR 23 -4.662 -10.399 -8.928
191 H ASN 24 H ASN 24 -0.160 -10.683 -8.166
192 HA ASN 24 HA ASN 24 1.857 -9.832 -7.873
193 HB2 ASN 24 HB2 ASN 24 2.353 -10.419 -10.809
194 HB3 ASN 24 HB3 ASN 24 3.589 -10.081 -9.588
195 HD21 ASN 24 HD21 ASN 24 2.114 -12.591 -11.193
196 HD22 ASN 24 HD22 ASN 24 2.447 -13.853 -10.001
197 H ALA 25 H ALA 25 -0.393 -8.011 -8.993
198 HA ALA 25 HA ALA 25 0.981 -5.668 -9.980
199 HB1 ALA 25 HB1 ALA 25 -1.153 -4.548 -9.506
200 HB2 ALA 25 HB2 ALA 25 -1.435 -6.095 -10.327
201 HB3 ALA 25 HB3 ALA 25 -1.711 -5.951 -8.575
202 H SER 26 H SER 26 1.332 -3.674 -8.842
203 HA SER 26 HA SER 26 1.522 -3.767 -5.887
204 HB2 SER 26 HB2 SER 26 3.810 -2.861 -5.926
205 HB3 SER 26 HB3 SER 26 3.708 -4.498 -6.582
206 HG SER 26 HG SER 26 3.815 -2.099 -8.121
207 H GLN 27 H GLN 27 1.359 -1.784 -4.852
208 HA GLN 27 HA GLN 27 1.141 0.709 -6.431
209 HB2 GLN 27 HB2 GLN 27 -1.081 -0.471 -6.554
210 HB3 GLN 27 HB3 GLN 27 -1.181 -0.375 -4.786
211 HG2 GLN 27 HG2 GLN 27 -1.163 2.074 -4.909
212 HG3 GLN 27 HG3 GLN 27 -0.951 2.008 -6.665
213 HE21 GLN 27 HE21 GLN 27 -3.216 1.428 -3.982
214 HE22 GLN 27 HE22 GLN 27 -4.655 1.338 -5.016
215 H PHE 28 H PHE 28 1.465 2.545 -5.236
216 HA PHE 28 HA PHE 28 2.510 2.207 -2.521
217 HB2 PHE 28 HB2 PHE 28 2.556 4.512 -4.440
218 HB3 PHE 28 HB3 PHE 28 3.010 4.689 -2.742
219 HD1 PHE 28 HD1 PHE 28 4.073 3.404 -5.993
220 HD2 PHE 28 HD2 PHE 28 4.925 3.409 -1.764
221 HE1 PHE 28 HE1 PHE 28 6.373 2.584 -6.454
222 HE2 PHE 28 HE2 PHE 28 7.227 2.598 -2.231
223 HZ PHE 28 HZ PHE 28 7.954 2.185 -4.577
224 H GLU 29 H GLU 29 -0.374 3.691 -3.852
225 HA GLU 29 HA GLU 29 -1.288 4.683 -1.247
226 HB2 GLU 29 HB2 GLU 29 -1.842 6.012 -3.144
227 HB3 GLU 29 HB3 GLU 29 -2.396 4.619 -4.057
228 HG2 GLU 29 HG2 GLU 29 -4.247 5.992 -3.477
229 HG3 GLU 29 HG3 GLU 29 -4.403 4.426 -2.706
230 H ARG 30 H ARG 30 -3.024 3.859 -0.055
231 HA ARG 30 HA ARG 30 -3.240 0.998 0.052
232 HB2 ARG 30 HB2 ARG 30 -3.534 2.760 1.931
233 HB3 ARG 30 HB3 ARG 30 -5.181 2.940 1.349
234 HG2 ARG 30 HG2 ARG 30 -4.728 0.106 1.640
235 HG3 ARG 30 HG3 ARG 30 -3.969 0.893 3.030
236 HD2 ARG 30 HD2 ARG 30 -6.057 0.502 3.838
237 HD3 ARG 30 HD3 ARG 30 -6.221 2.176 3.287
238 HE ARG 30 HE ARG 30 -6.984 0.444 1.136
239 HH11 ARG 30 HH11 ARG 30 -8.253 1.277 4.316
240 HH12 ARG 30 HH12 ARG 30 -9.840 0.677 3.899
241 HH21 ARG 30 HH21 ARG 30 -8.921 -0.293 0.739
242 HH22 ARG 30 HH22 ARG 30 -10.203 -0.303 1.963
243 HA PRO 31 HA PRO 31 -6.306 0.860 -3.245
244 HB2 PRO 31 HB2 PRO 31 -6.752 -1.843 -3.359
245 HB3 PRO 31 HB3 PRO 31 -5.306 -1.048 -4.044
246 HG2 PRO 31 HG2 PRO 31 -5.602 -2.484 -1.411
247 HG3 PRO 31 HG3 PRO 31 -4.241 -2.560 -2.571
248 HD2 PRO 31 HD2 PRO 31 -4.194 -1.017 -0.311
249 HD3 PRO 31 HD3 PRO 31 -3.351 -0.535 -1.807
250 H SER 32 H SER 32 -8.537 0.820 -3.433
251 HA SER 32 HA SER 32 -10.004 1.168 -1.013
252 HB2 SER 32 HB2 SER 32 -10.945 1.034 -3.899
253 HB3 SER 32 HB3 SER 32 -11.933 1.564 -2.524
254 HG SER 32 HG SER 32 -10.935 3.321 -3.598
255 H GLY 33 H GLY 33 -11.317 -0.086 0.143
256 HA2 GLY 33 HA2 GLY 33 -13.104 -2.055 -0.417
257 HA3 GLY 33 HA3 GLY 33 -11.587 -2.955 -0.418
258 H1' ALL 101 H1 ALL 34 11.910 1.870 -0.748
259 H2' ALL 101 H2 ALL 34 13.567 3.999 -2.210
260 H3' ALL 101 H3 ALL 34 11.473 4.583 -3.364
261 H4' ALL 101 H4 ALL 34 12.901 2.960 -4.480
262 H5' ALL 101 H5 ALL 34 11.389 0.775 -2.980
263 H6'1 ALL 101 H62 ALL 34 12.305 0.142 -5.280
264 H6'2 ALL 101 H61 ALL 34 12.948 -0.800 -3.921
265 HO'2 ALL 101 H2O ALL 34 11.473 4.255 -0.263
266 HO'3 ALL 101 H3O ALL 34 9.739 2.980 -3.133
267 HO'4 ALL 101 H4O ALL 34 11.282 2.098 -5.769
268 HO'6 ALL 101 H6O ALL 34 14.711 0.740 -3.861
Start of MODEL 13
1 H1 LYS 1 H1 LYS 1 -11.727 -5.513 5.351
2 H2 LYS 1 H2 LYS 1 -11.153 -6.061 3.923
3 H3 LYS 1 H3 LYS 1 -11.797 -4.557 4.032
4 HA LYS 1 HA LYS 1 -10.065 -3.822 5.498
5 HB2 LYS 1 HB2 LYS 1 -9.731 -6.219 6.354
6 HB3 LYS 1 HB3 LYS 1 -8.622 -6.462 5.019
7 HG2 LYS 1 HG2 LYS 1 -8.398 -4.221 7.087
8 HG3 LYS 1 HG3 LYS 1 -7.680 -5.799 7.314
9 HD2 LYS 1 HD2 LYS 1 -6.927 -3.809 5.138
10 HD3 LYS 1 HD3 LYS 1 -6.028 -4.135 6.603
11 HE2 LYS 1 HE2 LYS 1 -6.514 -6.153 4.365
12 HE3 LYS 1 HE3 LYS 1 -5.036 -5.226 4.632
13 HZ1 LYS 1 HZ1 LYS 1 -6.126 -7.221 6.534
14 HZ2 LYS 1 HZ2 LYS 1 -4.843 -7.442 5.545
15 HZ3 LYS 1 HZ3 LYS 1 -4.758 -6.346 6.755
16 H LEU 2 H LEU 2 -8.960 -6.002 2.839
17 HA LEU 2 HA LEU 2 -8.448 -3.623 1.130
18 HB2 LEU 2 HB2 LEU 2 -6.619 -5.953 1.767
19 HB3 LEU 2 HB3 LEU 2 -6.492 -5.142 0.210
20 HG LEU 2 HG LEU 2 -6.258 -3.618 2.823
21 HD11 LEU 2 HD11 LEU 2 -4.484 -5.373 2.628
22 HD12 LEU 2 HD12 LEU 2 -4.019 -4.689 1.060
23 HD13 LEU 2 HD13 LEU 2 -3.843 -3.723 2.545
24 HD21 LEU 2 HD21 LEU 2 -5.132 -1.949 1.422
25 HD22 LEU 2 HD22 LEU 2 -5.327 -2.983 -0.014
26 HD23 LEU 2 HD23 LEU 2 -6.741 -2.264 0.765
27 HA PRO 3 HA PRO 3 -10.712 -5.856 -1.947
28 HB2 PRO 3 HB2 PRO 3 -8.738 -5.274 -4.088
29 HB3 PRO 3 HB3 PRO 3 -10.441 -4.759 -3.947
30 HG2 PRO 3 HG2 PRO 3 -8.319 -3.045 -3.578
31 HG3 PRO 3 HG3 PRO 3 -9.879 -2.879 -2.699
32 HD2 PRO 3 HD2 PRO 3 -7.286 -4.071 -1.722
33 HD3 PRO 3 HD3 PRO 3 -8.451 -3.004 -0.879
34 HA PRO 4 HA PRO 4 -9.427 -9.961 -2.519
35 HB2 PRO 4 HB2 PRO 4 -9.865 -9.769 -5.509
36 HB3 PRO 4 HB3 PRO 4 -10.388 -11.052 -4.370
37 HG2 PRO 4 HG2 PRO 4 -12.148 -9.155 -5.139
38 HG3 PRO 4 HG3 PRO 4 -12.048 -9.608 -3.403
39 HD2 PRO 4 HD2 PRO 4 -10.815 -7.220 -4.801
40 HD3 PRO 4 HD3 PRO 4 -11.692 -7.294 -3.240
41 H GLY 5 H GLY 5 -7.471 -10.737 -2.277
42 HA2 GLY 5 HA2 GLY 5 -5.363 -11.536 -2.795
43 HA3 GLY 5 HA3 GLY 5 -5.423 -10.714 -4.363
44 H TRP 6 H TRP 6 -6.059 -8.105 -2.610
45 HA TRP 6 HA TRP 6 -3.279 -7.228 -2.540
46 HB2 TRP 6 HB2 TRP 6 -5.871 -5.868 -1.836
47 HB3 TRP 6 HB3 TRP 6 -4.291 -5.110 -1.623
48 HD1 TRP 6 HD1 TRP 6 -6.768 -6.131 -4.296
49 HE1 TRP 6 HE1 TRP 6 -6.160 -5.040 -6.544
50 HE3 TRP 6 HE3 TRP 6 -2.148 -4.316 -3.073
51 HZ2 TRP 6 HZ2 TRP 6 -3.896 -3.677 -7.696
52 HZ3 TRP 6 HZ3 TRP 6 -0.778 -3.123 -4.779
53 HH2 TRP 6 HH2 TRP 6 -1.629 -2.819 -7.086
54 H GLU 7 H GLU 7 -1.907 -7.022 -0.913
55 HA GLU 7 HA GLU 7 -2.843 -6.696 1.845
56 HB2 GLU 7 HB2 GLU 7 -1.393 -9.122 0.893
57 HB3 GLU 7 HB3 GLU 7 -0.686 -8.362 2.303
58 HG2 GLU 7 HG2 GLU 7 -3.555 -9.332 2.064
59 HG3 GLU 7 HG3 GLU 7 -2.250 -10.099 2.957
60 H LYS 8 H LYS 8 -1.095 -6.037 3.330
61 HA LYS 8 HA LYS 8 0.546 -3.934 2.166
62 HB2 LYS 8 HB2 LYS 8 0.274 -5.041 4.967
63 HB3 LYS 8 HB3 LYS 8 1.567 -3.904 4.547
64 HG2 LYS 8 HG2 LYS 8 -0.067 -2.271 3.707
65 HG3 LYS 8 HG3 LYS 8 -1.386 -3.394 4.052
66 HD2 LYS 8 HD2 LYS 8 -1.347 -1.792 5.822
67 HD3 LYS 8 HD3 LYS 8 -0.720 -3.303 6.500
68 HE2 LYS 8 HE2 LYS 8 1.620 -2.439 6.166
69 HE3 LYS 8 HE3 LYS 8 0.950 -0.945 5.499
70 HZ1 LYS 8 HZ1 LYS 8 0.492 -1.926 8.267
71 HZ2 LYS 8 HZ2 LYS 8 1.495 -0.706 7.855
72 HZ3 LYS 8 HZ3 LYS 8 -0.116 -0.539 7.651
73 H ARG 9 H ARG 9 2.635 -3.690 1.970
74 HA ARG 9 HA ARG 9 4.527 -5.981 2.117
75 HB2 ARG 9 HB2 ARG 9 3.160 -5.523 -0.202
76 HB3 ARG 9 HB3 ARG 9 4.404 -4.311 -0.398
77 HG2 ARG 9 HG2 ARG 9 5.068 -6.309 -1.539
78 HG3 ARG 9 HG3 ARG 9 6.136 -6.159 -0.127
79 HD2 ARG 9 HD2 ARG 9 4.891 -7.878 1.062
80 HD3 ARG 9 HD3 ARG 9 3.603 -7.850 -0.166
81 HE ARG 9 HE ARG 9 6.229 -8.527 -1.249
82 HH11 ARG 9 HH11 ARG 9 3.697 -11.509 -0.453
83 HH12 ARG 9 HH12 ARG 9 3.423 -9.956 0.294
84 HH21 ARG 9 HH21 ARG 9 6.510 -10.526 -2.164
85 HH22 ARG 9 HH22 ARG 9 5.400 -11.817 -1.796
86 H MET 10 H MET 10 6.829 -5.212 1.773
87 HA MET 10 HA MET 10 7.267 -2.355 2.370
88 HB2 MET 10 HB2 MET 10 6.541 -3.345 4.505
89 HB3 MET 10 HB3 MET 10 7.854 -4.536 4.408
90 HG2 MET 10 HG2 MET 10 9.519 -2.760 4.609
91 HG3 MET 10 HG3 MET 10 8.254 -1.522 4.516
92 HE1 MET 10 HE1 MET 10 9.439 -1.175 8.228
93 HE2 MET 10 HE2 MET 10 10.456 -1.573 6.827
94 HE3 MET 10 HE3 MET 10 9.168 -0.349 6.678
95 H PHE 11 H PHE 11 9.103 -1.618 1.713
96 HA PHE 11 HA PHE 11 11.116 -3.296 0.459
97 HB2 PHE 11 HB2 PHE 11 10.777 -0.307 0.743
98 HB3 PHE 11 HB3 PHE 11 12.161 -1.052 -0.061
99 HD1 PHE 11 HD1 PHE 11 8.987 0.364 -0.666
100 HD2 PHE 11 HD2 PHE 11 11.543 -2.888 -1.918
101 HE1 PHE 11 HE1 PHE 11 7.827 0.287 -2.849
102 HE2 PHE 11 HE2 PHE 11 10.350 -2.976 -4.094
103 HZ PHE 11 HZ PHE 11 8.499 -1.382 -4.567
104 H ALA 12 H ALA 12 13.386 -3.235 0.812
105 HA ALA 12 HA ALA 12 14.185 -3.599 3.513
106 HB1 ALA 12 HB1 ALA 12 15.230 -4.686 1.558
107 HB2 ALA 12 HB2 ALA 12 15.857 -3.114 1.005
108 HB3 ALA 12 HB3 ALA 12 16.437 -3.822 2.528
109 H ASN 13 H ASN 13 14.067 -0.653 1.638
110 HA ASN 13 HA ASN 13 15.836 0.877 3.406
111 HB2 ASN 13 HB2 ASN 13 15.223 2.784 1.983
112 HB3 ASN 13 HB3 ASN 13 15.768 1.387 1.045
113 HD21 ASN 13 HD21 ASN 13 14.779 2.377 -0.773
114 H GLY 14 H GLY 14 12.789 -0.294 3.992
115 HA2 GLY 14 HA2 GLY 14 11.573 0.142 5.941
116 HA3 GLY 14 HA3 GLY 14 12.267 1.764 6.063
117 H THR 15 H THR 15 11.020 1.031 2.920
118 HA THR 15 HA THR 15 8.744 2.886 3.354
119 HB THR 15 HB THR 15 9.853 1.753 0.776
120 HG1 THR 15 HG1 THR 15 11.377 2.939 1.545
121 HG21 THR 15 HG21 THR 15 8.726 3.741 -0.245
122 HG22 THR 15 HG22 THR 15 7.616 2.514 0.370
123 HG23 THR 15 HG23 THR 15 7.890 4.013 1.302
124 H VAL 16 H VAL 16 6.666 2.280 3.464
125 HA VAL 16 HA VAL 16 5.914 -0.565 2.978
126 HB VAL 16 HB VAL 16 4.541 1.740 4.406
127 HG11 VAL 16 HG11 VAL 16 3.481 -1.092 4.004
128 HG12 VAL 16 HG12 VAL 16 2.819 0.120 5.125
129 HG13 VAL 16 HG13 VAL 16 2.745 0.409 3.391
130 HG21 VAL 16 HG21 VAL 16 6.380 0.634 5.656
131 HG22 VAL 16 HG22 VAL 16 4.804 0.287 6.387
132 HG23 VAL 16 HG23 VAL 16 5.605 -0.945 5.393
133 H TYR 17 H TYR 17 4.371 -1.180 1.568
134 HA TYR 17 HA TYR 17 2.810 0.684 -0.068
135 HB2 TYR 17 HB2 TYR 17 3.629 -0.089 -2.190
136 HB3 TYR 17 HB3 TYR 17 4.968 0.551 -1.295
137 HD1 TYR 17 HD1 TYR 17 6.537 -1.187 -0.061
138 HD2 TYR 17 HD2 TYR 17 3.803 -2.182 -3.255
139 HE1 TYR 17 HE1 TYR 17 7.898 -3.198 -0.620
140 HE2 TYR 17 HE2 TYR 17 5.155 -4.191 -3.789
141 HH TYR 17 HH TYR 17 7.088 -5.336 -3.355
142 H TYR 18 H TYR 18 1.807 -1.097 -1.887
143 HA TYR 18 HA TYR 18 0.693 -3.365 -0.304
144 HB2 TYR 18 HB2 TYR 18 -0.813 -1.493 -2.166
145 HB3 TYR 18 HB3 TYR 18 -1.477 -2.896 -1.316
146 HD1 TYR 18 HD1 TYR 18 -0.162 0.548 -0.905
147 HD2 TYR 18 HD2 TYR 18 -2.046 -2.804 1.051
148 HE1 TYR 18 HE1 TYR 18 -0.571 1.958 1.093
149 HE2 TYR 18 HE2 TYR 18 -2.525 -1.364 3.035
150 HH TYR 18 HH TYR 18 -1.417 2.025 3.221
151 H PHE 19 H PHE 19 0.237 -5.223 -1.401
152 HA PHE 19 HA PHE 19 1.087 -5.494 -4.249
153 HB2 PHE 19 HB2 PHE 19 3.063 -5.864 -2.912
154 HB3 PHE 19 HB3 PHE 19 2.193 -7.014 -1.881
155 HD1 PHE 19 HD1 PHE 19 3.219 -6.379 -5.396
156 HD2 PHE 19 HD2 PHE 19 2.126 -9.367 -2.483
157 HE1 PHE 19 HE1 PHE 19 3.770 -8.137 -7.015
158 HE2 PHE 19 HE2 PHE 19 2.755 -11.148 -4.090
159 HZ PHE 19 HZ PHE 19 3.574 -10.555 -6.364
160 H ASN 20 H ASN 20 -0.070 -6.910 -5.428
161 HA ASN 20 HA ASN 20 -2.222 -8.418 -4.053
162 HB2 ASN 20 HB2 ASN 20 -2.712 -6.843 -5.965
163 HB3 ASN 20 HB3 ASN 20 -1.883 -7.994 -7.031
164 HD21 ASN 20 HD21 ASN 20 -5.695 -8.683 -5.995
165 HD22 ASN 20 HD22 ASN 20 -4.880 -7.125 -5.915
166 H HIS 21 H HIS 21 -1.815 -10.475 -3.508
167 HA HIS 21 HA HIS 21 0.493 -11.883 -4.552
168 HB2 HIS 21 HB2 HIS 21 0.155 -13.391 -2.875
169 HB3 HIS 21 HB3 HIS 21 -0.582 -11.948 -2.181
170 HD2 HIS 21 HD2 HIS 21 -3.155 -12.123 -1.516
171 HE1 HIS 21 HE1 HIS 21 -3.841 -16.133 -2.784
172 HE2 HIS 21 HE2 HIS 21 -4.810 -14.170 -1.484
173 H ILE 22 H ILE 22 -2.820 -11.798 -5.583
174 HA ILE 22 HA ILE 22 -2.783 -14.400 -6.951
175 HB ILE 22 HB ILE 22 -4.835 -12.143 -6.957
176 HG12 ILE 22 HG12 ILE 22 -4.722 -14.680 -5.252
177 HG13 ILE 22 HG13 ILE 22 -4.448 -13.028 -4.670
178 HG21 ILE 22 HG21 ILE 22 -5.085 -13.660 -8.887
179 HG22 ILE 22 HG22 ILE 22 -5.107 -15.061 -7.790
180 HG23 ILE 22 HG23 ILE 22 -6.416 -13.855 -7.764
181 HD11 ILE 22 HD11 ILE 22 -7.074 -14.200 -5.598
182 HD12 ILE 22 HD12 ILE 22 -6.618 -13.592 -3.997
183 HD13 ILE 22 HD13 ILE 22 -6.806 -12.456 -5.348
184 H THR 23 H THR 23 -2.672 -10.953 -7.773
185 HA THR 23 HA THR 23 -2.343 -11.573 -10.657
186 HB THR 23 HB THR 23 -3.320 -9.522 -11.181
187 HG1 THR 23 HG1 THR 23 -3.969 -8.263 -9.171
188 HG21 THR 23 HG21 THR 23 -5.487 -9.539 -10.144
189 HG22 THR 23 HG22 THR 23 -4.957 -11.223 -10.283
190 HG23 THR 23 HG23 THR 23 -4.885 -10.396 -8.710
191 H ASN 24 H ASN 24 -0.336 -10.665 -8.172
192 HA ASN 24 HA ASN 24 1.704 -9.837 -7.965
193 HB2 ASN 24 HB2 ASN 24 2.026 -10.386 -10.933
194 HB3 ASN 24 HB3 ASN 24 3.336 -10.070 -9.786
195 HD21 ASN 24 HD21 ASN 24 1.760 -12.556 -11.324
196 HD22 ASN 24 HD22 ASN 24 2.149 -13.828 -10.162
197 H ALA 25 H ALA 25 -0.569 -7.963 -8.907
198 HA ALA 25 HA ALA 25 0.774 -5.628 -9.958
199 HB1 ALA 25 HB1 ALA 25 -1.322 -4.494 -9.356
200 HB2 ALA 25 HB2 ALA 25 -1.662 -6.033 -10.174
201 HB3 ALA 25 HB3 ALA 25 -1.839 -5.906 -8.410
202 H SER 26 H SER 26 1.323 -3.691 -8.841
203 HA SER 26 HA SER 26 1.540 -3.766 -5.887
204 HB2 SER 26 HB2 SER 26 3.844 -2.873 -5.972
205 HB3 SER 26 HB3 SER 26 3.706 -4.536 -6.538
206 HG SER 26 HG SER 26 3.842 -2.221 -8.201
207 H GLN 27 H GLN 27 1.437 -1.766 -4.863
208 HA GLN 27 HA GLN 27 1.361 0.737 -6.391
209 HB2 GLN 27 HB2 GLN 27 -0.863 -0.184 -6.855
210 HB3 GLN 27 HB3 GLN 27 -1.133 -0.470 -5.136
211 HG2 GLN 27 HG2 GLN 27 -2.375 1.471 -5.921
212 HG3 GLN 27 HG3 GLN 27 -1.202 1.913 -4.692
213 HE21 GLN 27 HE21 GLN 27 -1.538 1.804 -8.305
214 HE22 GLN 27 HE22 GLN 27 -0.487 3.202 -8.552
215 H PHE 28 H PHE 28 1.552 2.549 -5.085
216 HA PHE 28 HA PHE 28 2.377 2.019 -2.298
217 HB2 PHE 28 HB2 PHE 28 4.049 3.119 -3.422
218 HB3 PHE 28 HB3 PHE 28 2.932 4.259 -4.183
219 HD1 PHE 28 HD1 PHE 28 2.200 6.289 -3.074
220 HD2 PHE 28 HD2 PHE 28 4.660 3.403 -1.015
221 HE1 PHE 28 HE1 PHE 28 2.640 7.943 -1.271
222 HE2 PHE 28 HE2 PHE 28 5.095 5.053 0.783
223 HZ PHE 28 HZ PHE 28 4.087 7.330 0.659
224 H GLU 29 H GLU 29 -0.099 3.920 -3.921
225 HA GLU 29 HA GLU 29 -1.222 4.981 -1.463
226 HB2 GLU 29 HB2 GLU 29 -1.543 6.177 -3.523
227 HB3 GLU 29 HB3 GLU 29 -2.176 4.749 -4.327
228 HG2 GLU 29 HG2 GLU 29 -3.948 6.277 -3.965
229 HG3 GLU 29 HG3 GLU 29 -4.232 4.844 -2.996
230 H ARG 30 H ARG 30 -2.973 4.269 -0.270
231 HA ARG 30 HA ARG 30 -3.299 1.464 0.028
232 HB2 ARG 30 HB2 ARG 30 -3.449 2.977 1.848
233 HB3 ARG 30 HB3 ARG 30 -4.847 3.795 1.178
234 HG2 ARG 30 HG2 ARG 30 -5.039 0.815 1.676
235 HG3 ARG 30 HG3 ARG 30 -5.001 1.894 3.078
236 HD2 ARG 30 HD2 ARG 30 -7.131 2.520 2.827
237 HD3 ARG 30 HD3 ARG 30 -6.879 2.960 1.146
238 HE ARG 30 HE ARG 30 -7.710 0.933 0.419
239 HH11 ARG 30 HH11 ARG 30 -7.357 0.589 3.913
240 HH12 ARG 30 HH12 ARG 30 -8.351 -0.858 3.890
241 HH21 ARG 30 HH21 ARG 30 -8.936 -0.783 0.533
242 HH22 ARG 30 HH22 ARG 30 -9.217 -1.593 2.085
243 HA PRO 31 HA PRO 31 -5.937 0.856 -3.492
244 HB2 PRO 31 HB2 PRO 31 -6.380 -1.843 -2.202
245 HB3 PRO 31 HB3 PRO 31 -6.067 -1.458 -3.923
246 HG2 PRO 31 HG2 PRO 31 -4.060 -2.332 -2.342
247 HG3 PRO 31 HG3 PRO 31 -3.771 -0.949 -3.453
248 HD2 PRO 31 HD2 PRO 31 -4.329 -0.892 -0.479
249 HD3 PRO 31 HD3 PRO 31 -3.152 0.030 -1.442
250 H SER 32 H SER 32 -7.943 1.539 -3.867
251 HA SER 32 HA SER 32 -10.101 2.164 -3.614
252 HB2 SER 32 HB2 SER 32 -10.344 -0.672 -2.580
253 HB3 SER 32 HB3 SER 32 -11.689 0.341 -3.134
254 HG SER 32 HG SER 32 -10.946 -0.977 -4.814
255 H GLY 33 H GLY 33 -8.669 3.245 -1.513
256 HA2 GLY 33 HA2 GLY 33 -10.852 3.902 0.315
257 HA3 GLY 33 HA3 GLY 33 -9.532 3.052 1.112
258 H1' ALL 101 H1 ALL 34 11.847 1.860 -0.940
259 H2' ALL 101 H2 ALL 34 13.613 3.749 -2.601
260 H3' ALL 101 H3 ALL 34 11.612 4.249 -3.919
261 H4' ALL 101 H4 ALL 34 12.942 2.415 -4.790
262 H5' ALL 101 H5 ALL 34 11.320 0.510 -3.054
263 H6'1 ALL 101 H62 ALL 34 12.312 -0.377 -5.274
264 H6'2 ALL 101 H61 ALL 34 12.791 -1.225 -3.791
265 HO'2 ALL 101 H2O ALL 34 12.806 4.587 -0.547
266 HO'3 ALL 101 H3O ALL 34 10.141 3.785 -2.142
267 HO'4 ALL 101 H4O ALL 34 10.134 2.062 -4.705
268 HO'6 ALL 101 H6O ALL 34 14.632 0.248 -3.738
Start of MODEL 14
1 H1 LYS 1 H1 LYS 1 -10.286 -6.290 4.818
2 H2 LYS 1 H2 LYS 1 -11.211 -4.941 4.939
3 H3 LYS 1 H3 LYS 1 -10.667 -5.684 6.288
4 HA LYS 1 HA LYS 1 -9.425 -3.693 5.915
5 HB2 LYS 1 HB2 LYS 1 -8.314 -5.681 6.965
6 HB3 LYS 1 HB3 LYS 1 -7.680 -6.130 5.380
7 HG2 LYS 1 HG2 LYS 1 -6.536 -3.840 5.293
8 HG3 LYS 1 HG3 LYS 1 -7.138 -3.555 6.927
9 HD2 LYS 1 HD2 LYS 1 -4.898 -4.262 7.184
10 HD3 LYS 1 HD3 LYS 1 -5.876 -5.665 7.645
11 HE2 LYS 1 HE2 LYS 1 -5.523 -6.618 5.345
12 HE3 LYS 1 HE3 LYS 1 -4.564 -5.190 4.925
13 HZ1 LYS 1 HZ1 LYS 1 -3.013 -5.833 6.721
14 HZ2 LYS 1 HZ2 LYS 1 -3.862 -7.208 6.981
15 HZ3 LYS 1 HZ3 LYS 1 -3.103 -6.963 5.546
16 H LEU 2 H LEU 2 -8.505 -5.956 3.263
17 HA LEU 2 HA LEU 2 -8.265 -3.639 1.399
18 HB2 LEU 2 HB2 LEU 2 -6.450 -6.009 1.943
19 HB3 LEU 2 HB3 LEU 2 -6.410 -5.208 0.379
20 HG LEU 2 HG LEU 2 -6.013 -3.622 2.930
21 HD11 LEU 2 HD11 LEU 2 -4.314 -5.450 2.808
22 HD12 LEU 2 HD12 LEU 2 -3.859 -4.880 1.190
23 HD13 LEU 2 HD13 LEU 2 -3.609 -3.833 2.606
24 HD21 LEU 2 HD21 LEU 2 -5.089 -3.181 0.052
25 HD22 LEU 2 HD22 LEU 2 -6.491 -2.389 0.782
26 HD23 LEU 2 HD23 LEU 2 -4.868 -2.072 1.422
27 HA PRO 3 HA PRO 3 -10.743 -5.978 -1.475
28 HB2 PRO 3 HB2 PRO 3 -8.935 -5.353 -3.746
29 HB3 PRO 3 HB3 PRO 3 -10.633 -4.862 -3.484
30 HG2 PRO 3 HG2 PRO 3 -8.536 -3.106 -3.275
31 HG3 PRO 3 HG3 PRO 3 -10.009 -2.983 -2.249
32 HD2 PRO 3 HD2 PRO 3 -7.333 -4.204 -1.545
33 HD3 PRO 3 HD3 PRO 3 -8.358 -3.087 -0.597
34 HA PRO 4 HA PRO 4 -9.310 -10.039 -2.226
35 HB2 PRO 4 HB2 PRO 4 -9.915 -9.781 -5.180
36 HB3 PRO 4 HB3 PRO 4 -10.321 -11.118 -4.058
37 HG2 PRO 4 HG2 PRO 4 -12.203 -9.286 -4.682
38 HG3 PRO 4 HG3 PRO 4 -11.995 -9.783 -2.967
39 HD2 PRO 4 HD2 PRO 4 -10.940 -7.302 -4.350
40 HD3 PRO 4 HD3 PRO 4 -11.739 -7.457 -2.753
41 H GLY 5 H GLY 5 -7.354 -10.863 -2.231
42 HA2 GLY 5 HA2 GLY 5 -5.253 -11.526 -2.911
43 HA3 GLY 5 HA3 GLY 5 -5.421 -10.572 -4.394
44 H TRP 6 H TRP 6 -6.008 -8.101 -2.524
45 HA TRP 6 HA TRP 6 -3.248 -7.201 -2.463
46 HB2 TRP 6 HB2 TRP 6 -5.829 -5.901 -1.627
47 HB3 TRP 6 HB3 TRP 6 -4.248 -5.119 -1.488
48 HD1 TRP 6 HD1 TRP 6 -6.879 -6.126 -4.005
49 HE1 TRP 6 HE1 TRP 6 -6.398 -5.073 -6.296
50 HE3 TRP 6 HE3 TRP 6 -2.169 -4.344 -3.089
51 HZ2 TRP 6 HZ2 TRP 6 -4.155 -3.882 -7.635
52 HZ3 TRP 6 HZ3 TRP 6 -0.874 -3.245 -4.912
53 HH2 TRP 6 HH2 TRP 6 -1.839 -3.032 -7.185
54 H GLU 7 H GLU 7 -1.852 -6.945 -0.857
55 HA GLU 7 HA GLU 7 -2.666 -6.899 1.963
56 HB2 GLU 7 HB2 GLU 7 -2.421 -9.258 1.635
57 HB3 GLU 7 HB3 GLU 7 -0.932 -9.051 0.732
58 HG2 GLU 7 HG2 GLU 7 -0.540 -10.044 2.895
59 HG3 GLU 7 HG3 GLU 7 0.309 -8.524 2.716
60 H LYS 8 H LYS 8 -0.990 -6.092 3.376
61 HA LYS 8 HA LYS 8 0.656 -4.015 2.210
62 HB2 LYS 8 HB2 LYS 8 0.392 -5.136 5.008
63 HB3 LYS 8 HB3 LYS 8 1.676 -3.989 4.600
64 HG2 LYS 8 HG2 LYS 8 0.049 -2.347 3.797
65 HG3 LYS 8 HG3 LYS 8 -1.274 -3.480 4.088
66 HD2 LYS 8 HD2 LYS 8 -1.228 -1.880 5.890
67 HD3 LYS 8 HD3 LYS 8 -0.720 -3.448 6.536
68 HE2 LYS 8 HE2 LYS 8 1.666 -2.730 6.370
69 HE3 LYS 8 HE3 LYS 8 1.150 -1.180 5.696
70 HZ1 LYS 8 HZ1 LYS 8 0.457 -2.171 8.410
71 HZ2 LYS 8 HZ2 LYS 8 1.565 -1.020 8.082
72 HZ3 LYS 8 HZ3 LYS 8 -0.015 -0.734 7.789
73 H ARG 9 H ARG 9 2.741 -3.737 1.994
74 HA ARG 9 HA ARG 9 4.686 -5.977 2.211
75 HB2 ARG 9 HB2 ARG 9 3.399 -5.869 -0.064
76 HB3 ARG 9 HB3 ARG 9 4.265 -4.370 -0.347
77 HG2 ARG 9 HG2 ARG 9 5.374 -6.126 -1.514
78 HG3 ARG 9 HG3 ARG 9 6.433 -5.674 -0.165
79 HD2 ARG 9 HD2 ARG 9 5.581 -7.645 1.114
80 HD3 ARG 9 HD3 ARG 9 4.546 -8.081 -0.258
81 HE ARG 9 HE ARG 9 7.443 -8.460 0.021
82 HH11 ARG 9 HH11 ARG 9 4.871 -8.359 -2.372
83 HH12 ARG 9 HH12 ARG 9 5.806 -9.259 -3.529
84 HH21 ARG 9 HH21 ARG 9 8.564 -9.590 -1.508
85 HH22 ARG 9 HH22 ARG 9 7.833 -9.929 -3.053
86 H MET 10 H MET 10 6.970 -5.150 1.819
87 HA MET 10 HA MET 10 7.344 -2.266 2.260
88 HB2 MET 10 HB2 MET 10 6.760 -3.226 4.505
89 HB3 MET 10 HB3 MET 10 8.176 -4.287 4.371
90 HG2 MET 10 HG2 MET 10 9.561 -2.135 4.119
91 HG3 MET 10 HG3 MET 10 8.116 -1.257 4.602
92 HE1 MET 10 HE1 MET 10 7.656 -2.463 8.336
93 HE2 MET 10 HE2 MET 10 7.149 -1.270 7.127
94 HE3 MET 10 HE3 MET 10 6.804 -2.999 6.875
95 H PHE 11 H PHE 11 9.206 -1.529 1.577
96 HA PHE 11 HA PHE 11 11.197 -3.193 0.293
97 HB2 PHE 11 HB2 PHE 11 10.914 -0.224 0.739
98 HB3 PHE 11 HB3 PHE 11 12.327 -0.935 -0.047
99 HD1 PHE 11 HD1 PHE 11 9.028 0.359 -0.622
100 HD2 PHE 11 HD2 PHE 11 11.919 -2.507 -2.082
101 HE1 PHE 11 HE1 PHE 11 7.893 0.315 -2.818
102 HE2 PHE 11 HE2 PHE 11 10.778 -2.525 -4.289
103 HZ PHE 11 HZ PHE 11 8.766 -1.107 -4.660
104 H ALA 12 H ALA 12 13.508 -3.137 0.651
105 HA ALA 12 HA ALA 12 14.258 -3.806 3.303
106 HB1 ALA 12 HB1 ALA 12 15.369 -4.624 1.257
107 HB2 ALA 12 HB2 ALA 12 15.979 -2.986 0.920
108 HB3 ALA 12 HB3 ALA 12 16.536 -3.870 2.357
109 H ASN 13 H ASN 13 14.131 -0.660 1.805
110 HA ASN 13 HA ASN 13 15.801 0.693 3.805
111 HB2 ASN 13 HB2 ASN 13 15.175 2.731 2.567
112 HB3 ASN 13 HB3 ASN 13 15.798 1.462 1.501
113 HD21 ASN 13 HD21 ASN 13 14.787 2.692 -0.215
114 H GLY 14 H GLY 14 12.708 -0.568 4.057
115 HA2 GLY 14 HA2 GLY 14 11.269 -0.355 5.874
116 HA3 GLY 14 HA3 GLY 14 12.025 1.176 6.343
117 H THR 15 H THR 15 10.964 0.840 3.006
118 HA THR 15 HA THR 15 8.779 2.813 3.469
119 HB THR 15 HB THR 15 9.903 1.747 0.863
120 HG1 THR 15 HG1 THR 15 11.417 2.861 1.902
121 HG21 THR 15 HG21 THR 15 7.752 2.565 0.376
122 HG22 THR 15 HG22 THR 15 7.928 3.963 1.477
123 HG23 THR 15 HG23 THR 15 8.849 3.886 -0.037
124 H VAL 16 H VAL 16 6.671 2.273 3.482
125 HA VAL 16 HA VAL 16 5.883 -0.541 2.951
126 HB VAL 16 HB VAL 16 4.493 1.776 4.342
127 HG11 VAL 16 HG11 VAL 16 2.718 0.403 3.350
128 HG12 VAL 16 HG12 VAL 16 3.477 -1.078 3.983
129 HG13 VAL 16 HG13 VAL 16 2.792 0.137 5.086
130 HG21 VAL 16 HG21 VAL 16 4.773 0.370 6.352
131 HG22 VAL 16 HG22 VAL 16 5.583 -0.874 5.379
132 HG23 VAL 16 HG23 VAL 16 6.345 0.717 5.617
133 H TYR 17 H TYR 17 4.357 -1.165 1.539
134 HA TYR 17 HA TYR 17 2.761 0.688 -0.070
135 HB2 TYR 17 HB2 TYR 17 3.588 -0.037 -2.208
136 HB3 TYR 17 HB3 TYR 17 4.916 0.616 -1.297
137 HD1 TYR 17 HD1 TYR 17 6.594 -1.012 -0.188
138 HD2 TYR 17 HD2 TYR 17 3.715 -2.205 -3.175
139 HE1 TYR 17 HE1 TYR 17 8.029 -2.944 -0.807
140 HE2 TYR 17 HE2 TYR 17 5.142 -4.157 -3.767
141 HH TYR 17 HH TYR 17 8.358 -4.642 -2.292
142 H TYR 18 H TYR 18 1.629 -0.953 -1.839
143 HA TYR 18 HA TYR 18 0.601 -3.295 -0.281
144 HB2 TYR 18 HB2 TYR 18 -0.910 -1.495 -2.206
145 HB3 TYR 18 HB3 TYR 18 -1.561 -2.857 -1.280
146 HD1 TYR 18 HD1 TYR 18 -0.606 0.672 -1.188
147 HD2 TYR 18 HD2 TYR 18 -1.752 -2.718 1.222
148 HE1 TYR 18 HE1 TYR 18 -1.031 2.192 0.734
149 HE2 TYR 18 HE2 TYR 18 -2.168 -1.201 3.154
150 HH TYR 18 HH TYR 18 -1.978 0.925 3.955
151 H PHE 19 H PHE 19 0.299 -5.189 -1.325
152 HA PHE 19 HA PHE 19 1.126 -5.452 -4.184
153 HB2 PHE 19 HB2 PHE 19 3.089 -5.838 -2.853
154 HB3 PHE 19 HB3 PHE 19 2.208 -6.965 -1.805
155 HD1 PHE 19 HD1 PHE 19 3.251 -6.389 -5.321
156 HD2 PHE 19 HD2 PHE 19 2.075 -9.325 -2.389
157 HE1 PHE 19 HE1 PHE 19 3.753 -8.169 -6.929
158 HE2 PHE 19 HE2 PHE 19 2.666 -11.134 -3.981
159 HZ PHE 19 HZ PHE 19 3.496 -10.577 -6.261
160 H ASN 20 H ASN 20 -0.006 -6.859 -5.397
161 HA ASN 20 HA ASN 20 -2.201 -8.355 -4.068
162 HB2 ASN 20 HB2 ASN 20 -2.650 -6.730 -5.940
163 HB3 ASN 20 HB3 ASN 20 -1.813 -7.851 -7.030
164 HD21 ASN 20 HD21 ASN 20 -4.815 -6.956 -6.167
165 HD22 ASN 20 HD22 ASN 20 -5.651 -8.496 -6.283
166 H HIS 21 H HIS 21 -1.787 -10.418 -3.538
167 HA HIS 21 HA HIS 21 0.491 -11.841 -4.627
168 HB2 HIS 21 HB2 HIS 21 0.159 -13.355 -2.961
169 HB3 HIS 21 HB3 HIS 21 -0.578 -11.925 -2.244
170 HD2 HIS 21 HD2 HIS 21 -3.135 -12.129 -1.547
171 HE1 HIS 21 HE1 HIS 21 -3.829 -16.109 -2.901
172 HE2 HIS 21 HE2 HIS 21 -4.785 -14.180 -1.544
173 H ILE 22 H ILE 22 -2.837 -11.708 -5.613
174 HA ILE 22 HA ILE 22 -2.841 -14.289 -7.021
175 HB ILE 22 HB ILE 22 -4.860 -12.003 -6.955
176 HG12 ILE 22 HG12 ILE 22 -4.770 -14.607 -5.348
177 HG13 ILE 22 HG13 ILE 22 -4.460 -12.986 -4.707
178 HG21 ILE 22 HG21 ILE 22 -5.158 -13.440 -8.936
179 HG22 ILE 22 HG22 ILE 22 -5.184 -14.884 -7.896
180 HG23 ILE 22 HG23 ILE 22 -6.478 -13.664 -7.804
181 HD11 ILE 22 HD11 ILE 22 -7.118 -14.077 -5.645
182 HD12 ILE 22 HD12 ILE 22 -6.632 -13.535 -4.028
183 HD13 ILE 22 HD13 ILE 22 -6.818 -12.347 -5.336
184 H THR 23 H THR 23 -2.693 -10.835 -7.797
185 HA THR 23 HA THR 23 -2.395 -11.418 -10.688
186 HB THR 23 HB THR 23 -3.321 -9.351 -11.186
187 HG1 THR 23 HG1 THR 23 -3.884 -8.109 -9.099
188 HG21 THR 23 HG21 THR 23 -4.864 -10.150 -8.675
189 HG22 THR 23 HG22 THR 23 -5.462 -9.271 -10.095
190 HG23 THR 23 HG23 THR 23 -5.008 -10.975 -10.244
191 H ASN 24 H ASN 24 -0.348 -10.597 -8.202
192 HA ASN 24 HA ASN 24 1.715 -9.834 -7.990
193 HB2 ASN 24 HB2 ASN 24 2.014 -10.388 -10.959
194 HB3 ASN 24 HB3 ASN 24 3.337 -10.084 -9.824
195 HD21 ASN 24 HD21 ASN 24 1.674 -12.554 -11.317
196 HD22 ASN 24 HD22 ASN 24 2.065 -13.825 -10.153
197 H ALA 25 H ALA 25 -0.511 -7.892 -8.960
198 HA ALA 25 HA ALA 25 0.922 -5.587 -9.958
199 HB1 ALA 25 HB1 ALA 25 -1.517 -5.910 -10.232
200 HB2 ALA 25 HB2 ALA 25 -1.731 -5.802 -8.470
201 HB3 ALA 25 HB3 ALA 25 -1.150 -4.395 -9.384
202 H SER 26 H SER 26 1.471 -3.664 -8.809
203 HA SER 26 HA SER 26 1.560 -3.757 -5.859
204 HB2 SER 26 HB2 SER 26 3.859 -2.953 -5.749
205 HB3 SER 26 HB3 SER 26 3.758 -4.577 -6.433
206 HG SER 26 HG SER 26 4.092 -3.737 -8.467
207 H GLN 27 H GLN 27 1.444 -1.743 -4.853
208 HA GLN 27 HA GLN 27 1.397 0.735 -6.431
209 HB2 GLN 27 HB2 GLN 27 -0.775 -0.231 -6.965
210 HB3 GLN 27 HB3 GLN 27 -1.101 -0.530 -5.261
211 HG2 GLN 27 HG2 GLN 27 -2.423 1.304 -6.029
212 HG3 GLN 27 HG3 GLN 27 -1.266 1.876 -4.847
213 HE21 GLN 27 HE21 GLN 27 -2.687 2.766 -7.712
214 HE22 GLN 27 HE22 GLN 27 -1.393 3.808 -8.314
215 H PHE 28 H PHE 28 1.504 2.581 -5.224
216 HA PHE 28 HA PHE 28 2.240 2.286 -2.370
217 HB2 PHE 28 HB2 PHE 28 2.523 4.573 -4.329
218 HB3 PHE 28 HB3 PHE 28 2.880 4.712 -2.605
219 HD1 PHE 28 HD1 PHE 28 4.784 3.493 -1.559
220 HD2 PHE 28 HD2 PHE 28 4.046 3.377 -5.811
221 HE1 PHE 28 HE1 PHE 28 7.106 2.703 -1.949
222 HE2 PHE 28 HE2 PHE 28 6.368 2.581 -6.191
223 HZ PHE 28 HZ PHE 28 7.903 2.257 -4.262
224 H GLU 29 H GLU 29 -0.269 3.910 -4.228
225 HA GLU 29 HA GLU 29 -1.596 5.123 -1.940
226 HB2 GLU 29 HB2 GLU 29 -2.602 4.446 -4.736
227 HB3 GLU 29 HB3 GLU 29 -3.493 5.380 -3.521
228 HG2 GLU 29 HG2 GLU 29 -1.615 7.039 -3.467
229 HG3 GLU 29 HG3 GLU 29 -0.831 6.158 -4.783
230 H ARG 30 H ARG 30 -3.544 4.458 -0.933
231 HA ARG 30 HA ARG 30 -3.671 1.702 -0.238
232 HB2 ARG 30 HB2 ARG 30 -4.809 4.146 0.662
233 HB3 ARG 30 HB3 ARG 30 -6.183 3.118 0.302
234 HG2 ARG 30 HG2 ARG 30 -3.912 2.622 2.234
235 HG3 ARG 30 HG3 ARG 30 -5.613 2.907 2.616
236 HD2 ARG 30 HD2 ARG 30 -4.451 0.417 1.305
237 HD3 ARG 30 HD3 ARG 30 -4.978 0.577 2.964
238 HE ARG 30 HE ARG 30 -6.806 0.732 0.569
239 HH11 ARG 30 HH11 ARG 30 -8.659 -0.333 0.641
240 HH12 ARG 30 HH12 ARG 30 -9.152 -1.180 2.108
241 HH21 ARG 30 HH21 ARG 30 -6.408 -0.310 3.922
242 HH22 ARG 30 HH22 ARG 30 -7.889 -1.251 3.819
243 HA PRO 31 HA PRO 31 -6.171 0.260 -3.753
244 HB2 PRO 31 HB2 PRO 31 -6.317 -2.169 -1.972
245 HB3 PRO 31 HB3 PRO 31 -6.049 -2.091 -3.743
246 HG2 PRO 31 HG2 PRO 31 -3.960 -2.499 -2.087
247 HG3 PRO 31 HG3 PRO 31 -3.797 -1.302 -3.418
248 HD2 PRO 31 HD2 PRO 31 -4.438 -0.793 -0.498
249 HD3 PRO 31 HD3 PRO 31 -3.254 0.025 -1.553
250 H SER 32 H SER 32 -8.396 -0.346 -4.122
251 HA SER 32 HA SER 32 -10.331 -0.547 -1.950
252 HB2 SER 32 HB2 SER 32 -10.134 1.984 -3.614
253 HB3 SER 32 HB3 SER 32 -11.656 1.466 -2.866
254 HG SER 32 HG SER 32 -9.282 1.592 -1.356
255 H GLY 33 H GLY 33 -12.454 -1.055 -2.650
256 HA2 GLY 33 HA2 GLY 33 -13.356 -1.329 -5.335
257 HA3 GLY 33 HA3 GLY 33 -12.632 -2.863 -4.845
258 H1' ALL 101 H1 ALL 34 11.889 2.045 -0.508
259 H2' ALL 101 H2 ALL 34 13.555 4.257 -1.827
260 H3' ALL 101 H3 ALL 34 11.568 4.855 -3.103
261 H4' ALL 101 H4 ALL 34 13.026 3.249 -4.193
262 H5' ALL 101 H5 ALL 34 11.434 1.044 -2.813
263 H6'1 ALL 101 H62 ALL 34 12.307 0.356 -5.029
264 H6'2 ALL 101 H61 ALL 34 13.124 -0.498 -3.707
265 HO'2 ALL 101 H2O ALL 34 11.540 4.296 0.185
266 HO'3 ALL 101 H3O ALL 34 9.922 4.185 -1.721
267 HO'4 ALL 101 H4O ALL 34 10.239 2.787 -4.275
268 HO'6 ALL 101 H6O ALL 34 14.628 0.292 -5.254
Start of MODEL 15
1 H1 LYS 1 H1 LYS 1 -10.747 -5.457 6.313
2 H2 LYS 1 H2 LYS 1 -10.541 -6.102 4.823
3 H3 LYS 1 H3 LYS 1 -11.281 -4.651 4.997
4 HA LYS 1 HA LYS 1 -9.322 -3.622 5.822
5 HB2 LYS 1 HB2 LYS 1 -7.122 -4.817 5.642
6 HB3 LYS 1 HB3 LYS 1 -8.165 -5.233 6.990
7 HG2 LYS 1 HG2 LYS 1 -8.808 -7.338 5.988
8 HG3 LYS 1 HG3 LYS 1 -7.952 -6.972 4.488
9 HD2 LYS 1 HD2 LYS 1 -6.568 -7.203 7.191
10 HD3 LYS 1 HD3 LYS 1 -6.789 -8.555 6.072
11 HE2 LYS 1 HE2 LYS 1 -5.553 -7.331 4.308
12 HE3 LYS 1 HE3 LYS 1 -5.285 -5.979 5.419
13 HZ1 LYS 1 HZ1 LYS 1 -3.989 -7.439 6.827
14 HZ2 LYS 1 HZ2 LYS 1 -4.326 -8.746 5.901
15 HZ3 LYS 1 HZ3 LYS 1 -3.396 -7.552 5.300
16 H LEU 2 H LEU 2 -8.659 -5.943 3.137
17 HA LEU 2 HA LEU 2 -8.229 -3.603 1.342
18 HB2 LEU 2 HB2 LEU 2 -6.518 -6.062 1.840
19 HB3 LEU 2 HB3 LEU 2 -6.340 -5.082 0.387
20 HG LEU 2 HG LEU 2 -6.038 -3.892 3.169
21 HD11 LEU 2 HD11 LEU 2 -4.353 -5.668 2.817
22 HD12 LEU 2 HD12 LEU 2 -3.880 -4.909 1.280
23 HD13 LEU 2 HD13 LEU 2 -3.618 -4.056 2.819
24 HD21 LEU 2 HD21 LEU 2 -6.462 -2.260 1.343
25 HD22 LEU 2 HD22 LEU 2 -4.800 -2.137 1.923
26 HD23 LEU 2 HD23 LEU 2 -5.146 -2.979 0.395
27 HA PRO 3 HA PRO 3 -10.679 -5.739 -1.657
28 HB2 PRO 3 HB2 PRO 3 -8.836 -5.072 -3.882
29 HB3 PRO 3 HB3 PRO 3 -10.509 -4.522 -3.595
30 HG2 PRO 3 HG2 PRO 3 -8.324 -2.880 -3.296
31 HG3 PRO 3 HG3 PRO 3 -9.804 -2.721 -2.288
32 HD2 PRO 3 HD2 PRO 3 -7.202 -4.090 -1.595
33 HD3 PRO 3 HD3 PRO 3 -8.204 -2.978 -0.618
34 HA PRO 4 HA PRO 4 -9.458 -9.807 -2.523
35 HB2 PRO 4 HB2 PRO 4 -9.906 -9.426 -5.493
36 HB3 PRO 4 HB3 PRO 4 -10.431 -10.777 -4.436
37 HG2 PRO 4 HG2 PRO 4 -12.184 -8.825 -5.065
38 HG3 PRO 4 HG3 PRO 4 -12.071 -9.385 -3.362
39 HD2 PRO 4 HD2 PRO 4 -10.836 -6.922 -4.621
40 HD3 PRO 4 HD3 PRO 4 -11.695 -7.088 -3.058
41 H GLY 5 H GLY 5 -7.528 -10.632 -2.336
42 HA2 GLY 5 HA2 GLY 5 -5.450 -11.456 -2.901
43 HA3 GLY 5 HA3 GLY 5 -5.493 -10.552 -4.424
44 H TRP 6 H TRP 6 -6.035 -8.020 -2.536
45 HA TRP 6 HA TRP 6 -3.244 -7.216 -2.505
46 HB2 TRP 6 HB2 TRP 6 -5.768 -5.843 -1.609
47 HB3 TRP 6 HB3 TRP 6 -4.162 -5.113 -1.484
48 HD1 TRP 6 HD1 TRP 6 -6.850 -6.007 -3.982
49 HE1 TRP 6 HE1 TRP 6 -6.363 -4.944 -6.268
50 HE3 TRP 6 HE3 TRP 6 -2.084 -4.375 -3.095
51 HZ2 TRP 6 HZ2 TRP 6 -4.097 -3.817 -7.618
52 HZ3 TRP 6 HZ3 TRP 6 -0.777 -3.287 -4.917
53 HH2 TRP 6 HH2 TRP 6 -1.753 -3.035 -7.182
54 H GLU 7 H GLU 7 -1.815 -7.008 -0.918
55 HA GLU 7 HA GLU 7 -2.610 -6.957 1.908
56 HB2 GLU 7 HB2 GLU 7 -2.383 -9.318 1.569
57 HB3 GLU 7 HB3 GLU 7 -0.895 -9.116 0.662
58 HG2 GLU 7 HG2 GLU 7 -0.477 -10.106 2.813
59 HG3 GLU 7 HG3 GLU 7 0.345 -8.568 2.656
60 H LYS 8 H LYS 8 -0.992 -6.127 3.308
61 HA LYS 8 HA LYS 8 0.675 -4.069 2.192
62 HB2 LYS 8 HB2 LYS 8 0.364 -5.186 4.981
63 HB3 LYS 8 HB3 LYS 8 1.658 -4.040 4.597
64 HG2 LYS 8 HG2 LYS 8 0.017 -2.427 3.696
65 HG3 LYS 8 HG3 LYS 8 -1.292 -3.555 4.057
66 HD2 LYS 8 HD2 LYS 8 -1.260 -1.911 5.795
67 HD3 LYS 8 HD3 LYS 8 -0.645 -3.413 6.504
68 HE2 LYS 8 HE2 LYS 8 1.695 -2.570 6.192
69 HE3 LYS 8 HE3 LYS 8 1.054 -1.089 5.471
70 HZ1 LYS 8 HZ1 LYS 8 0.541 -1.986 8.257
71 HZ2 LYS 8 HZ2 LYS 8 1.561 -0.788 7.826
72 HZ3 LYS 8 HZ3 LYS 8 -0.044 -0.612 7.591
73 H ARG 9 H ARG 9 2.764 -3.734 2.030
74 HA ARG 9 HA ARG 9 4.741 -5.917 2.331
75 HB2 ARG 9 HB2 ARG 9 3.444 -5.722 -0.046
76 HB3 ARG 9 HB3 ARG 9 4.563 -4.407 -0.297
77 HG2 ARG 9 HG2 ARG 9 5.291 -6.539 -1.279
78 HG3 ARG 9 HG3 ARG 9 6.467 -5.939 -0.097
79 HD2 ARG 9 HD2 ARG 9 6.019 -8.437 -0.052
80 HD3 ARG 9 HD3 ARG 9 5.910 -7.594 1.495
81 HE ARG 9 HE ARG 9 3.494 -7.690 1.413
82 HH11 ARG 9 HH11 ARG 9 1.794 -8.987 1.289
83 HH12 ARG 9 HH12 ARG 9 1.826 -10.428 0.303
84 HH21 ARG 9 HH21 ARG 9 5.007 -9.892 -0.877
85 HH22 ARG 9 HH22 ARG 9 3.613 -10.938 -0.886
86 H MET 10 H MET 10 7.015 -5.086 1.960
87 HA MET 10 HA MET 10 7.345 -2.200 2.102
88 HB2 MET 10 HB2 MET 10 8.449 -2.125 4.289
89 HB3 MET 10 HB3 MET 10 6.741 -2.576 4.399
90 HG2 MET 10 HG2 MET 10 7.391 -4.959 4.665
91 HG3 MET 10 HG3 MET 10 9.089 -4.503 4.543
92 HE1 MET 10 HE1 MET 10 5.860 -4.546 6.712
93 HE2 MET 10 HE2 MET 10 6.312 -3.598 8.145
94 HE3 MET 10 HE3 MET 10 6.060 -2.782 6.590
95 H PHE 11 H PHE 11 9.240 -1.426 1.641
96 HA PHE 11 HA PHE 11 11.298 -3.111 0.468
97 HB2 PHE 11 HB2 PHE 11 10.949 -0.124 0.766
98 HB3 PHE 11 HB3 PHE 11 12.376 -0.860 0.025
99 HD1 PHE 11 HD1 PHE 11 9.045 0.343 -0.614
100 HD2 PHE 11 HD2 PHE 11 12.012 -2.505 -1.948
101 HE1 PHE 11 HE1 PHE 11 7.914 0.172 -2.810
102 HE2 PHE 11 HE2 PHE 11 10.872 -2.651 -4.152
103 HZ PHE 11 HZ PHE 11 8.825 -1.304 -4.585
104 H ALA 12 H ALA 12 13.570 -3.023 0.935
105 HA ALA 12 HA ALA 12 14.220 -3.466 3.664
106 HB1 ALA 12 HB1 ALA 12 16.529 -3.621 2.807
107 HB2 ALA 12 HB2 ALA 12 15.395 -4.470 1.740
108 HB3 ALA 12 HB3 ALA 12 16.026 -2.871 1.277
109 H ASN 13 H ASN 13 14.150 -0.466 1.887
110 HA ASN 13 HA ASN 13 15.783 1.055 3.783
111 HB2 ASN 13 HB2 ASN 13 15.161 2.983 2.388
112 HB3 ASN 13 HB3 ASN 13 15.780 1.633 1.426
113 HD21 ASN 13 HD21 ASN 13 14.788 2.675 -0.399
114 H GLY 14 H GLY 14 12.703 -0.201 4.139
115 HA2 GLY 14 HA2 GLY 14 11.299 0.132 5.972
116 HA3 GLY 14 HA3 GLY 14 12.028 1.717 6.291
117 H THR 15 H THR 15 10.953 1.110 3.011
118 HA THR 15 HA THR 15 8.691 3.017 3.351
119 HB THR 15 HB THR 15 9.868 1.844 0.816
120 HG1 THR 15 HG1 THR 15 11.343 3.072 1.745
121 HG21 THR 15 HG21 THR 15 7.689 2.543 0.277
122 HG22 THR 15 HG22 THR 15 7.797 4.005 1.300
123 HG23 THR 15 HG23 THR 15 8.730 3.888 -0.203
124 H VAL 16 H VAL 16 6.591 2.424 3.322
125 HA VAL 16 HA VAL 16 5.890 -0.443 2.943
126 HB VAL 16 HB VAL 16 4.369 1.906 4.130
127 HG11 VAL 16 HG11 VAL 16 3.496 -1.010 3.939
128 HG12 VAL 16 HG12 VAL 16 2.709 0.248 4.917
129 HG13 VAL 16 HG13 VAL 16 2.703 0.383 3.165
130 HG21 VAL 16 HG21 VAL 16 6.198 1.042 5.563
131 HG22 VAL 16 HG22 VAL 16 4.614 0.650 6.246
132 HG23 VAL 16 HG23 VAL 16 5.544 -0.604 5.404
133 H TYR 17 H TYR 17 4.430 -1.172 1.505
134 HA TYR 17 HA TYR 17 2.870 0.568 -0.260
135 HB2 TYR 17 HB2 TYR 17 3.752 -0.277 -2.323
136 HB3 TYR 17 HB3 TYR 17 5.065 0.412 -1.420
137 HD1 TYR 17 HD1 TYR 17 6.696 -1.174 -0.187
138 HD2 TYR 17 HD2 TYR 17 3.892 -2.493 -3.196
139 HE1 TYR 17 HE1 TYR 17 8.133 -3.152 -0.686
140 HE2 TYR 17 HE2 TYR 17 5.318 -4.461 -3.670
141 HH TYR 17 HH TYR 17 7.313 -5.492 -3.249
142 H TYR 18 H TYR 18 1.870 -1.263 -1.969
143 HA TYR 18 HA TYR 18 0.822 -3.526 -0.318
144 HB2 TYR 18 HB2 TYR 18 -0.748 -1.729 -2.206
145 HB3 TYR 18 HB3 TYR 18 -1.374 -3.098 -1.274
146 HD1 TYR 18 HD1 TYR 18 -1.894 -2.895 1.097
147 HD2 TYR 18 HD2 TYR 18 -0.110 0.385 -1.068
148 HE1 TYR 18 HE1 TYR 18 -2.376 -1.360 3.006
149 HE2 TYR 18 HE2 TYR 18 -0.538 1.897 0.848
150 HH TYR 18 HH TYR 18 -1.372 2.069 2.973
151 H PHE 19 H PHE 19 0.446 -5.415 -1.372
152 HA PHE 19 HA PHE 19 1.205 -5.665 -4.252
153 HB2 PHE 19 HB2 PHE 19 3.176 -6.150 -2.953
154 HB3 PHE 19 HB3 PHE 19 2.270 -7.273 -1.924
155 HD1 PHE 19 HD1 PHE 19 3.317 -6.634 -5.434
156 HD2 PHE 19 HD2 PHE 19 1.985 -9.599 -2.600
157 HE1 PHE 19 HE1 PHE 19 3.718 -8.390 -7.103
158 HE2 PHE 19 HE2 PHE 19 2.471 -11.385 -4.255
159 HZ PHE 19 HZ PHE 19 3.329 -10.797 -6.516
160 H ASN 20 H ASN 20 -0.010 -7.006 -5.458
161 HA ASN 20 HA ASN 20 -2.247 -8.414 -4.107
162 HB2 ASN 20 HB2 ASN 20 -2.648 -6.748 -5.955
163 HB3 ASN 20 HB3 ASN 20 -1.891 -7.900 -7.071
164 HD21 ASN 20 HD21 ASN 20 -4.822 -6.865 -6.120
165 HD22 ASN 20 HD22 ASN 20 -5.741 -8.359 -6.184
166 H HIS 21 H HIS 21 -1.936 -10.503 -3.613
167 HA HIS 21 HA HIS 21 0.251 -12.026 -4.751
168 HB2 HIS 21 HB2 HIS 21 -0.130 -13.539 -3.096
169 HB3 HIS 21 HB3 HIS 21 -0.792 -12.083 -2.353
170 HD2 HIS 21 HD2 HIS 21 -3.347 -12.178 -1.627
171 HE1 HIS 21 HE1 HIS 21 -4.242 -16.105 -3.019
172 HE2 HIS 21 HE2 HIS 21 -5.091 -14.150 -1.628
173 H ILE 22 H ILE 22 -3.080 -11.713 -5.687
174 HA ILE 22 HA ILE 22 -3.227 -14.271 -7.133
175 HB ILE 22 HB ILE 22 -5.137 -11.896 -6.993
176 HG12 ILE 22 HG12 ILE 22 -5.149 -14.536 -5.445
177 HG13 ILE 22 HG13 ILE 22 -4.752 -12.946 -4.772
178 HG21 ILE 22 HG21 ILE 22 -5.608 -14.737 -7.991
179 HG22 ILE 22 HG22 ILE 22 -6.841 -13.461 -7.853
180 HG23 ILE 22 HG23 ILE 22 -5.530 -13.273 -8.999
181 HD11 ILE 22 HD11 ILE 22 -7.470 -13.893 -5.691
182 HD12 ILE 22 HD12 ILE 22 -6.937 -13.398 -4.074
183 HD13 ILE 22 HD13 ILE 22 -7.086 -12.184 -5.362
184 H THR 23 H THR 23 -2.931 -10.814 -7.853
185 HA THR 23 HA THR 23 -2.710 -11.362 -10.758
186 HB THR 23 HB THR 23 -3.557 -9.254 -11.209
187 HG1 THR 23 HG1 THR 23 -4.021 -8.015 -9.094
188 HG21 THR 23 HG21 THR 23 -5.668 -9.091 -10.072
189 HG22 THR 23 HG22 THR 23 -5.294 -10.812 -10.247
190 HG23 THR 23 HG23 THR 23 -5.081 -10.011 -8.674
191 H ASN 24 H ASN 24 -0.582 -10.680 -8.300
192 HA ASN 24 HA ASN 24 1.517 -10.013 -8.117
193 HB2 ASN 24 HB2 ASN 24 1.734 -10.532 -11.099
194 HB3 ASN 24 HB3 ASN 24 3.091 -10.311 -9.985
195 HD21 ASN 24 HD21 ASN 24 1.339 -12.679 -11.507
196 HD22 ASN 24 HD22 ASN 24 1.670 -13.984 -10.362
197 H ALA 25 H ALA 25 -0.631 -7.954 -8.998
198 HA ALA 25 HA ALA 25 0.890 -5.710 -10.008
199 HB1 ALA 25 HB1 ALA 25 -1.561 -5.924 -10.259
200 HB2 ALA 25 HB2 ALA 25 -1.754 -5.819 -8.494
201 HB3 ALA 25 HB3 ALA 25 -1.122 -4.432 -9.405
202 H SER 26 H SER 26 1.547 -3.832 -8.871
203 HA SER 26 HA SER 26 1.703 -3.936 -5.914
204 HB2 SER 26 HB2 SER 26 4.026 -3.098 -5.952
205 HB3 SER 26 HB3 SER 26 3.860 -4.751 -6.543
206 HG SER 26 HG SER 26 4.060 -2.423 -8.179
207 H GLN 27 H GLN 27 1.516 -1.970 -4.891
208 HA GLN 27 HA GLN 27 1.392 0.542 -6.450
209 HB2 GLN 27 HB2 GLN 27 -0.756 -0.409 -6.908
210 HB3 GLN 27 HB3 GLN 27 -1.011 -0.837 -5.207
211 HG2 GLN 27 HG2 GLN 27 -1.209 1.461 -4.569
212 HG3 GLN 27 HG3 GLN 27 -0.786 2.023 -6.193
213 HE21 GLN 27 HE21 GLN 27 -3.345 1.787 -4.194
214 HE22 GLN 27 HE22 GLN 27 -4.620 1.598 -5.416
215 H PHE 28 H PHE 28 1.560 2.380 -5.244
216 HA PHE 28 HA PHE 28 2.481 2.053 -2.477
217 HB2 PHE 28 HB2 PHE 28 2.591 4.356 -4.409
218 HB3 PHE 28 HB3 PHE 28 3.005 4.526 -2.700
219 HD1 PHE 28 HD1 PHE 28 4.115 3.192 -5.929
220 HD2 PHE 28 HD2 PHE 28 4.935 3.325 -1.694
221 HE1 PHE 28 HE1 PHE 28 6.432 2.403 -6.352
222 HE2 PHE 28 HE2 PHE 28 7.255 2.548 -2.125
223 HZ PHE 28 HZ PHE 28 8.007 2.086 -4.455
224 H GLU 29 H GLU 29 -0.291 3.654 -3.961
225 HA GLU 29 HA GLU 29 -1.206 4.769 -1.398
226 HB2 GLU 29 HB2 GLU 29 -2.498 4.681 -4.151
227 HB3 GLU 29 HB3 GLU 29 -3.177 5.486 -2.724
228 HG2 GLU 29 HG2 GLU 29 -1.116 6.896 -2.571
229 HG3 GLU 29 HG3 GLU 29 -0.529 6.170 -4.071
230 H ARG 30 H ARG 30 -3.003 4.142 -0.222
231 HA ARG 30 HA ARG 30 -3.421 1.401 0.178
232 HB2 ARG 30 HB2 ARG 30 -3.678 3.038 1.870
233 HB3 ARG 30 HB3 ARG 30 -5.033 3.805 1.061
234 HG2 ARG 30 HG2 ARG 30 -5.238 0.872 1.802
235 HG3 ARG 30 HG3 ARG 30 -5.322 2.087 3.086
236 HD2 ARG 30 HD2 ARG 30 -7.448 2.571 2.648
237 HD3 ARG 30 HD3 ARG 30 -7.075 2.967 0.980
238 HE ARG 30 HE ARG 30 -7.814 0.888 0.269
239 HH11 ARG 30 HH11 ARG 30 -8.905 -0.932 0.388
240 HH12 ARG 30 HH12 ARG 30 -9.228 -1.689 1.959
241 HH21 ARG 30 HH21 ARG 30 -7.598 0.660 3.787
242 HH22 ARG 30 HH22 ARG 30 -8.457 -0.873 3.757
243 HA PRO 31 HA PRO 31 -5.784 0.624 -3.503
244 HB2 PRO 31 HB2 PRO 31 -6.211 -2.060 -2.181
245 HB3 PRO 31 HB3 PRO 31 -5.796 -1.703 -3.888
246 HG2 PRO 31 HG2 PRO 31 -3.872 -2.459 -2.153
247 HG3 PRO 31 HG3 PRO 31 -3.561 -1.084 -3.267
248 HD2 PRO 31 HD2 PRO 31 -4.349 -1.002 -0.344
249 HD3 PRO 31 HD3 PRO 31 -3.131 -0.052 -1.232
250 H SER 32 H SER 32 -7.803 1.100 -4.111
251 HA SER 32 HA SER 32 -10.023 1.094 -2.151
252 HB2 SER 32 HB2 SER 32 -9.761 2.234 -4.953
253 HB3 SER 32 HB3 SER 32 -11.247 2.288 -3.987
254 HG SER 32 HG SER 32 -8.727 3.333 -3.179
255 H GLY 33 H GLY 33 -12.003 0.097 -2.441
256 HA2 GLY 33 HA2 GLY 33 -12.763 -1.573 -4.661
257 HA3 GLY 33 HA3 GLY 33 -12.103 -2.561 -3.356
258 H1' ALL 101 H1 ALL 34 11.885 2.041 -0.629
259 H2' ALL 101 H2 ALL 34 13.493 4.227 -2.063
260 H3' ALL 101 H3 ALL 34 11.386 4.773 -3.221
261 H4' ALL 101 H4 ALL 34 12.884 3.198 -4.341
262 H5' ALL 101 H5 ALL 34 11.399 0.956 -2.904
263 H6'1 ALL 101 H62 ALL 34 12.396 0.450 -5.232
264 H6'2 ALL 101 H61 ALL 34 12.960 -0.562 -3.888
265 HO'2 ALL 101 H2O ALL 34 11.379 4.405 -0.129
266 HO'3 ALL 101 H3O ALL 34 9.688 3.107 -3.008
267 HO'4 ALL 101 H4O ALL 34 10.912 3.472 -5.387
268 HO'6 ALL 101 H6O ALL 34 14.712 0.999 -3.658
Start of MODEL 16
1 H1 LYS 1 H1 LYS 1 -11.251 -4.745 4.817
2 H2 LYS 1 H2 LYS 1 -10.801 -4.587 6.380
3 H3 LYS 1 H3 LYS 1 -9.790 -5.298 5.310
4 HA LYS 1 HA LYS 1 -10.655 -2.482 5.276
5 HB2 LYS 1 HB2 LYS 1 -9.092 -2.966 7.125
6 HB3 LYS 1 HB3 LYS 1 -7.909 -3.597 5.976
7 HG2 LYS 1 HG2 LYS 1 -7.854 -1.316 4.871
8 HG3 LYS 1 HG3 LYS 1 -8.973 -0.739 6.119
9 HD2 LYS 1 HD2 LYS 1 -7.283 -1.321 7.872
10 HD3 LYS 1 HD3 LYS 1 -6.203 -1.933 6.613
11 HE2 LYS 1 HE2 LYS 1 -5.434 0.248 7.203
12 HE3 LYS 1 HE3 LYS 1 -6.127 0.340 5.582
13 HZ1 LYS 1 HZ1 LYS 1 -6.846 2.192 6.990
14 HZ2 LYS 1 HZ2 LYS 1 -8.147 1.291 6.592
15 HZ3 LYS 1 HZ3 LYS 1 -7.496 1.179 8.088
16 H LEU 2 H LEU 2 -7.874 -4.332 3.917
17 HA LEU 2 HA LEU 2 -7.784 -2.812 1.489
18 HB2 LEU 2 HB2 LEU 2 -6.566 -5.402 2.497
19 HB3 LEU 2 HB3 LEU 2 -6.408 -4.967 0.795
20 HG LEU 2 HG LEU 2 -5.227 -2.917 1.318
21 HD11 LEU 2 HD11 LEU 2 -6.142 -2.273 3.491
22 HD12 LEU 2 HD12 LEU 2 -5.452 -3.735 4.247
23 HD13 LEU 2 HD13 LEU 2 -4.393 -2.460 3.603
24 HD21 LEU 2 HD21 LEU 2 -3.934 -4.944 1.023
25 HD22 LEU 2 HD22 LEU 2 -3.186 -4.003 2.325
26 HD23 LEU 2 HD23 LEU 2 -4.177 -5.410 2.724
27 HA PRO 3 HA PRO 3 -10.764 -4.992 -1.068
28 HB2 PRO 3 HB2 PRO 3 -9.657 -4.760 -3.577
29 HB3 PRO 3 HB3 PRO 3 -10.411 -3.400 -2.689
30 HG2 PRO 3 HG2 PRO 3 -7.470 -4.121 -2.845
31 HG3 PRO 3 HG3 PRO 3 -8.224 -2.521 -3.108
32 HD2 PRO 3 HD2 PRO 3 -7.110 -3.224 -0.731
33 HD3 PRO 3 HD3 PRO 3 -8.593 -2.223 -0.791
34 HA PRO 4 HA PRO 4 -9.629 -9.187 -1.379
35 HB2 PRO 4 HB2 PRO 4 -10.745 -9.286 -4.187
36 HB3 PRO 4 HB3 PRO 4 -11.036 -10.403 -2.816
37 HG2 PRO 4 HG2 PRO 4 -12.871 -8.512 -3.418
38 HG3 PRO 4 HG3 PRO 4 -12.413 -8.783 -1.701
39 HD2 PRO 4 HD2 PRO 4 -11.432 -6.626 -3.592
40 HD3 PRO 4 HD3 PRO 4 -11.977 -6.487 -1.891
41 H GLY 5 H GLY 5 -7.859 -10.371 -1.774
42 HA2 GLY 5 HA2 GLY 5 -6.019 -11.291 -2.818
43 HA3 GLY 5 HA3 GLY 5 -6.387 -10.352 -4.280
44 H TRP 6 H TRP 6 -6.283 -7.880 -2.278
45 HA TRP 6 HA TRP 6 -3.404 -7.355 -2.627
46 HB2 TRP 6 HB2 TRP 6 -5.720 -5.608 -1.773
47 HB3 TRP 6 HB3 TRP 6 -4.034 -5.085 -1.780
48 HD1 TRP 6 HD1 TRP 6 -6.826 -6.077 -4.202
49 HE1 TRP 6 HE1 TRP 6 -6.271 -5.236 -6.565
50 HE3 TRP 6 HE3 TRP 6 -2.024 -4.545 -3.385
51 HZ2 TRP 6 HZ2 TRP 6 -3.982 -4.141 -7.949
52 HZ3 TRP 6 HZ3 TRP 6 -0.642 -3.681 -5.266
53 HH2 TRP 6 HH2 TRP 6 -1.611 -3.458 -7.539
54 H GLU 7 H GLU 7 -1.926 -6.996 -1.066
55 HA GLU 7 HA GLU 7 -2.638 -7.055 1.798
56 HB2 GLU 7 HB2 GLU 7 -2.380 -9.377 1.357
57 HB3 GLU 7 HB3 GLU 7 -0.982 -9.113 0.333
58 HG2 GLU 7 HG2 GLU 7 -0.359 -10.203 2.378
59 HG3 GLU 7 HG3 GLU 7 0.435 -8.652 2.218
60 H LYS 8 H LYS 8 -1.001 -6.219 3.186
61 HA LYS 8 HA LYS 8 0.616 -4.114 2.000
62 HB2 LYS 8 HB2 LYS 8 0.281 -5.131 4.828
63 HB3 LYS 8 HB3 LYS 8 1.550 -3.969 4.414
64 HG2 LYS 8 HG2 LYS 8 -0.091 -2.401 3.491
65 HG3 LYS 8 HG3 LYS 8 -1.392 -3.557 3.788
66 HD2 LYS 8 HD2 LYS 8 -1.459 -1.893 5.519
67 HD3 LYS 8 HD3 LYS 8 -0.922 -3.415 6.246
68 HE2 LYS 8 HE2 LYS 8 1.447 -2.616 6.119
69 HE3 LYS 8 HE3 LYS 8 0.889 -1.111 5.378
70 HZ1 LYS 8 HZ1 LYS 8 0.154 -2.042 8.103
71 HZ2 LYS 8 HZ2 LYS 8 1.229 -0.860 7.770
72 HZ3 LYS 8 HZ3 LYS 8 -0.351 -0.643 7.421
73 H ARG 9 H ARG 9 2.702 -3.801 1.859
74 HA ARG 9 HA ARG 9 4.677 -6.004 2.162
75 HB2 ARG 9 HB2 ARG 9 3.419 -5.975 -0.137
76 HB3 ARG 9 HB3 ARG 9 4.270 -4.471 -0.442
77 HG2 ARG 9 HG2 ARG 9 5.413 -6.248 -1.550
78 HG3 ARG 9 HG3 ARG 9 6.452 -5.746 -0.204
79 HD2 ARG 9 HD2 ARG 9 5.631 -7.686 1.123
80 HD3 ARG 9 HD3 ARG 9 4.581 -8.166 -0.223
81 HE ARG 9 HE ARG 9 7.480 -8.532 0.029
82 HH11 ARG 9 HH11 ARG 9 4.876 -8.498 -2.329
83 HH12 ARG 9 HH12 ARG 9 5.792 -9.431 -3.474
84 HH21 ARG 9 HH21 ARG 9 8.578 -9.712 -1.481
85 HH22 ARG 9 HH22 ARG 9 7.824 -10.097 -3.005
86 H MET 10 H MET 10 6.962 -5.116 1.713
87 HA MET 10 HA MET 10 7.252 -2.221 2.159
88 HB2 MET 10 HB2 MET 10 6.709 -3.216 4.403
89 HB3 MET 10 HB3 MET 10 8.158 -4.231 4.254
90 HG2 MET 10 HG2 MET 10 9.478 -2.042 4.021
91 HG3 MET 10 HG3 MET 10 8.008 -1.204 4.500
92 HE1 MET 10 HE1 MET 10 7.558 -2.411 8.228
93 HE2 MET 10 HE2 MET 10 7.035 -1.231 7.012
94 HE3 MET 10 HE3 MET 10 6.724 -2.967 6.764
95 H PHE 11 H PHE 11 9.092 -1.420 1.490
96 HA PHE 11 HA PHE 11 11.117 -2.997 0.157
97 HB2 PHE 11 HB2 PHE 11 10.780 -0.048 0.708
98 HB3 PHE 11 HB3 PHE 11 12.196 -0.707 -0.115
99 HD1 PHE 11 HD1 PHE 11 11.742 -2.275 -2.183
100 HD2 PHE 11 HD2 PHE 11 8.937 0.634 -0.648
101 HE1 PHE 11 HE1 PHE 11 10.604 -2.195 -4.390
102 HE2 PHE 11 HE2 PHE 11 7.825 0.718 -2.856
103 HZ PHE 11 HZ PHE 11 8.650 -0.693 -4.730
104 H ALA 12 H ALA 12 13.430 -2.904 0.517
105 HA ALA 12 HA ALA 12 14.193 -3.648 3.143
106 HB1 ALA 12 HB1 ALA 12 15.325 -4.366 1.070
107 HB2 ALA 12 HB2 ALA 12 15.899 -2.703 0.796
108 HB3 ALA 12 HB3 ALA 12 16.473 -3.626 2.199
109 H ASN 13 H ASN 13 14.009 -0.454 1.755
110 HA ASN 13 HA ASN 13 15.645 0.857 3.812
111 HB2 ASN 13 HB2 ASN 13 14.996 2.927 2.633
112 HB3 ASN 13 HB3 ASN 13 15.664 1.701 1.544
113 HD21 ASN 13 HD21 ASN 13 14.680 2.855 -0.202
114 H GLY 14 H GLY 14 12.567 -0.451 3.999
115 HA2 GLY 14 HA2 GLY 14 11.130 -0.316 5.827
116 HA3 GLY 14 HA3 GLY 14 11.851 1.221 6.332
117 H THR 15 H THR 15 10.817 0.982 2.987
118 HA THR 15 HA THR 15 8.568 2.862 3.513
119 HB THR 15 HB THR 15 9.756 1.959 0.874
120 HG1 THR 15 HG1 THR 15 11.236 3.059 1.946
121 HG21 THR 15 HG21 THR 15 8.660 4.103 0.059
122 HG22 THR 15 HG22 THR 15 7.575 2.754 0.409
123 HG23 THR 15 HG23 THR 15 7.727 4.107 1.568
124 H VAL 16 H VAL 16 6.467 2.292 3.423
125 HA VAL 16 HA VAL 16 5.783 -0.546 2.884
126 HB VAL 16 HB VAL 16 4.313 1.747 4.235
127 HG11 VAL 16 HG11 VAL 16 3.332 -1.115 3.855
128 HG12 VAL 16 HG12 VAL 16 2.616 0.095 4.943
129 HG13 VAL 16 HG13 VAL 16 2.573 0.358 3.205
130 HG21 VAL 16 HG21 VAL 16 6.150 0.703 5.545
131 HG22 VAL 16 HG22 VAL 16 4.566 0.342 6.249
132 HG23 VAL 16 HG23 VAL 16 5.406 -0.895 5.293
133 H TYR 17 H TYR 17 4.284 -1.226 1.458
134 HA TYR 17 HA TYR 17 2.677 0.577 -0.191
135 HB2 TYR 17 HB2 TYR 17 3.545 -0.165 -2.316
136 HB3 TYR 17 HB3 TYR 17 4.831 0.552 -1.397
137 HD1 TYR 17 HD1 TYR 17 6.628 -0.922 -0.358
138 HD2 TYR 17 HD2 TYR 17 3.672 -2.415 -3.125
139 HE1 TYR 17 HE1 TYR 17 8.121 -2.826 -0.939
140 HE2 TYR 17 HE2 TYR 17 5.142 -4.352 -3.655
141 HH TYR 17 HH TYR 17 8.436 -4.630 -2.290
142 H TYR 18 H TYR 18 1.676 -1.135 -1.999
143 HA TYR 18 HA TYR 18 0.533 -3.419 -0.446
144 HB2 TYR 18 HB2 TYR 18 -0.887 -1.532 -2.366
145 HB3 TYR 18 HB3 TYR 18 -1.610 -2.886 -1.485
146 HD1 TYR 18 HD1 TYR 18 -0.190 0.528 -1.166
147 HD2 TYR 18 HD2 TYR 18 -2.161 -2.704 0.887
148 HE1 TYR 18 HE1 TYR 18 -0.491 1.984 0.814
149 HE2 TYR 18 HE2 TYR 18 -2.515 -1.223 2.866
150 HH TYR 18 HH TYR 18 -1.283 2.127 2.959
151 H PHE 19 H PHE 19 0.148 -5.289 -1.537
152 HA PHE 19 HA PHE 19 1.113 -5.573 -4.361
153 HB2 PHE 19 HB2 PHE 19 2.960 -5.894 -2.802
154 HB3 PHE 19 HB3 PHE 19 2.022 -7.091 -1.897
155 HD1 PHE 19 HD1 PHE 19 3.504 -6.310 -5.206
156 HD2 PHE 19 HD2 PHE 19 1.959 -9.420 -2.643
157 HE1 PHE 19 HE1 PHE 19 4.322 -8.000 -6.787
158 HE2 PHE 19 HE2 PHE 19 2.841 -11.133 -4.211
159 HZ PHE 19 HZ PHE 19 4.043 -10.441 -6.276
160 H ASN 20 H ASN 20 -0.060 -6.959 -5.589
161 HA ASN 20 HA ASN 20 -2.288 -8.449 -4.310
162 HB2 ASN 20 HB2 ASN 20 -2.698 -6.960 -6.280
163 HB3 ASN 20 HB3 ASN 20 -1.706 -8.053 -7.263
164 HD21 ASN 20 HD21 ASN 20 -5.546 -8.999 -6.592
165 HD22 ASN 20 HD22 ASN 20 -4.865 -7.430 -6.155
166 H HIS 21 H HIS 21 -2.067 -10.553 -3.804
167 HA HIS 21 HA HIS 21 0.410 -11.897 -4.497
168 HB2 HIS 21 HB2 HIS 21 -0.088 -13.409 -2.860
169 HB3 HIS 21 HB3 HIS 21 -0.884 -11.950 -2.272
170 HD2 HIS 21 HD2 HIS 21 -3.530 -12.069 -1.942
171 HE1 HIS 21 HE1 HIS 21 -4.063 -16.161 -3.013
172 HE2 HIS 21 HE2 HIS 21 -5.175 -14.127 -1.961
173 H ILE 22 H ILE 22 -2.714 -11.959 -6.014
174 HA ILE 22 HA ILE 22 -2.343 -14.588 -7.289
175 HB ILE 22 HB ILE 22 -4.446 -12.426 -7.757
176 HG12 ILE 22 HG12 ILE 22 -5.760 -14.450 -6.405
177 HG13 ILE 22 HG13 ILE 22 -4.187 -14.510 -5.607
178 HG21 ILE 22 HG21 ILE 22 -4.315 -14.007 -9.612
179 HG22 ILE 22 HG22 ILE 22 -4.398 -15.380 -8.481
180 HG23 ILE 22 HG23 ILE 22 -5.786 -14.285 -8.687
181 HD11 ILE 22 HD11 ILE 22 -5.963 -12.040 -5.941
182 HD12 ILE 22 HD12 ILE 22 -5.836 -13.031 -4.478
183 HD13 ILE 22 HD13 ILE 22 -4.435 -12.093 -5.031
184 H THR 23 H THR 23 -2.236 -11.151 -8.174
185 HA THR 23 HA THR 23 -1.469 -11.823 -10.958
186 HB THR 23 HB THR 23 -2.387 -9.793 -11.653
187 HG1 THR 23 HG1 THR 23 -3.340 -8.512 -9.786
188 HG21 THR 23 HG21 THR 23 -4.681 -9.843 -10.949
189 HG22 THR 23 HG22 THR 23 -4.105 -11.515 -10.975
190 HG23 THR 23 HG23 THR 23 -4.283 -10.662 -9.426
191 H ASN 24 H ASN 24 0.128 -10.791 -8.224
192 HA ASN 24 HA ASN 24 2.087 -9.884 -7.746
193 HB2 ASN 24 HB2 ASN 24 2.899 -10.491 -10.608
194 HB3 ASN 24 HB3 ASN 24 3.989 -10.155 -9.255
195 HD21 ASN 24 HD21 ASN 24 2.771 -12.659 -11.041
196 HD22 ASN 24 HD22 ASN 24 2.947 -13.928 -9.824
197 H ALA 25 H ALA 25 -0.077 -8.136 -9.058
198 HA ALA 25 HA ALA 25 1.312 -5.800 -10.045
199 HB1 ALA 25 HB1 ALA 25 -0.865 -4.704 -9.720
200 HB2 ALA 25 HB2 ALA 25 -1.070 -6.275 -10.516
201 HB3 ALA 25 HB3 ALA 25 -1.451 -6.098 -8.787
202 H SER 26 H SER 26 1.618 -3.784 -8.949
203 HA SER 26 HA SER 26 1.638 -3.821 -5.988
204 HB2 SER 26 HB2 SER 26 3.867 -2.871 -5.859
205 HB3 SER 26 HB3 SER 26 3.884 -4.491 -6.566
206 HG SER 26 HG SER 26 4.198 -3.613 -8.576
207 H GLN 27 H GLN 27 1.469 -1.834 -4.980
208 HA GLN 27 HA GLN 27 1.065 0.655 -6.509
209 HB2 GLN 27 HB2 GLN 27 -1.030 -0.285 -6.950
210 HB3 GLN 27 HB3 GLN 27 -1.127 -1.071 -5.375
211 HG2 GLN 27 HG2 GLN 27 -2.762 0.683 -5.512
212 HG3 GLN 27 HG3 GLN 27 -1.570 1.008 -4.270
213 HE21 GLN 27 HE21 GLN 27 -2.396 3.224 -4.401
214 HE22 GLN 27 HE22 GLN 27 -1.847 4.298 -5.710
215 H PHE 28 H PHE 28 1.154 2.496 -5.237
216 HA PHE 28 HA PHE 28 2.408 2.003 -2.634
217 HB2 PHE 28 HB2 PHE 28 3.811 3.183 -3.957
218 HB3 PHE 28 HB3 PHE 28 2.547 4.283 -4.520
219 HD1 PHE 28 HD1 PHE 28 2.156 6.372 -3.459
220 HD2 PHE 28 HD2 PHE 28 4.561 3.378 -1.490
221 HE1 PHE 28 HE1 PHE 28 2.790 8.024 -1.715
222 HE2 PHE 28 HE2 PHE 28 5.196 5.032 0.247
223 HZ PHE 28 HZ PHE 28 4.313 7.357 0.138
224 H GLU 29 H GLU 29 -0.319 4.095 -3.537
225 HA GLU 29 HA GLU 29 -0.971 4.447 -0.644
226 HB2 GLU 29 HB2 GLU 29 -2.275 5.574 -3.150
227 HB3 GLU 29 HB3 GLU 29 -2.841 5.837 -1.490
228 HG2 GLU 29 HG2 GLU 29 -0.622 6.834 -0.915
229 HG3 GLU 29 HG3 GLU 29 -0.138 6.678 -2.607
230 H ARG 30 H ARG 30 -3.018 3.709 0.227
231 HA ARG 30 HA ARG 30 -3.401 1.014 -0.248
232 HB2 ARG 30 HB2 ARG 30 -4.111 2.462 1.771
233 HB3 ARG 30 HB3 ARG 30 -5.614 2.740 0.902
234 HG2 ARG 30 HG2 ARG 30 -5.257 -0.087 0.820
235 HG3 ARG 30 HG3 ARG 30 -4.659 0.401 2.411
236 HD2 ARG 30 HD2 ARG 30 -6.889 -0.046 2.820
237 HD3 ARG 30 HD3 ARG 30 -6.899 1.713 2.630
238 HE ARG 30 HE ARG 30 -7.387 0.487 0.078
239 HH11 ARG 30 HH11 ARG 30 -9.146 0.945 3.098
240 HH12 ARG 30 HH12 ARG 30 -10.666 0.580 2.311
241 HH21 ARG 30 HH21 ARG 30 -9.288 0.094 -0.777
242 HH22 ARG 30 HH22 ARG 30 -10.774 0.156 0.181
243 HA PRO 31 HA PRO 31 -5.666 1.124 -4.101
244 HB2 PRO 31 HB2 PRO 31 -6.319 -1.565 -4.359
245 HB3 PRO 31 HB3 PRO 31 -4.727 -0.845 -4.737
246 HG2 PRO 31 HG2 PRO 31 -5.584 -2.232 -2.187
247 HG3 PRO 31 HG3 PRO 31 -4.066 -2.447 -3.118
248 HD2 PRO 31 HD2 PRO 31 -4.148 -0.897 -0.925
249 HD3 PRO 31 HD3 PRO 31 -3.193 -0.391 -2.347
250 H SER 32 H SER 32 -7.797 1.100 -4.900
251 HA SER 32 HA SER 32 -9.676 1.875 -2.919
252 HB2 SER 32 HB2 SER 32 -11.208 2.264 -4.825
253 HB3 SER 32 HB3 SER 32 -9.614 3.011 -5.006
254 HG SER 32 HG SER 32 -10.320 1.957 -6.918
255 H GLY 33 H GLY 33 -11.575 1.115 -2.208
256 HA2 GLY 33 HA2 GLY 33 -13.088 -1.145 -2.888
257 HA3 GLY 33 HA3 GLY 33 -11.815 -1.725 -1.810
258 H1' ALL 101 H1 ALL 34 11.786 2.206 -0.516
259 H2' ALL 101 H2 ALL 34 13.395 4.486 -1.794
260 H3' ALL 101 H3 ALL 34 11.296 5.084 -2.942
261 H4' ALL 101 H4 ALL 34 12.830 3.588 -4.129
262 H5' ALL 101 H5 ALL 34 11.335 1.260 -2.848
263 H6'1 ALL 101 H62 ALL 34 12.360 0.891 -5.192
264 H6'2 ALL 101 H61 ALL 34 12.897 -0.200 -3.900
265 HO'2 ALL 101 H2O ALL 34 11.265 4.527 0.131
266 HO'3 ALL 101 H3O ALL 34 9.612 3.375 -2.844
267 HO'4 ALL 101 H4O ALL 34 10.861 3.923 -5.181
268 HO'6 ALL 101 H6O ALL 34 14.649 1.343 -3.551
Start of MODEL 17
1 H1 LYS 1 H1 LYS 1 -10.332 -6.059 4.546
2 H2 LYS 1 H2 LYS 1 -11.238 -4.694 4.609
3 H3 LYS 1 H3 LYS 1 -10.777 -5.434 5.989
4 HA LYS 1 HA LYS 1 -9.482 -3.464 5.657
5 HB2 LYS 1 HB2 LYS 1 -8.478 -5.490 6.776
6 HB3 LYS 1 HB3 LYS 1 -7.739 -5.925 5.236
7 HG2 LYS 1 HG2 LYS 1 -6.618 -3.589 5.280
8 HG3 LYS 1 HG3 LYS 1 -7.274 -3.415 6.904
9 HD2 LYS 1 HD2 LYS 1 -5.030 -4.126 7.171
10 HD3 LYS 1 HD3 LYS 1 -6.022 -5.544 7.542
11 HE2 LYS 1 HE2 LYS 1 -5.606 -6.402 5.220
12 HE3 LYS 1 HE3 LYS 1 -4.637 -4.961 4.880
13 HZ1 LYS 1 HZ1 LYS 1 -3.990 -7.042 6.892
14 HZ2 LYS 1 HZ2 LYS 1 -3.202 -6.784 5.478
15 HZ3 LYS 1 HZ3 LYS 1 -3.123 -5.673 6.671
16 H LEU 2 H LEU 2 -8.345 -5.769 3.130
17 HA LEU 2 HA LEU 2 -8.097 -3.503 1.203
18 HB2 LEU 2 HB2 LEU 2 -6.297 -5.903 1.678
19 HB3 LEU 2 HB3 LEU 2 -6.146 -4.825 0.285
20 HG LEU 2 HG LEU 2 -5.902 -3.802 3.131
21 HD11 LEU 2 HD11 LEU 2 -3.708 -4.687 1.224
22 HD12 LEU 2 HD12 LEU 2 -3.473 -3.889 2.798
23 HD13 LEU 2 HD13 LEU 2 -4.186 -5.510 2.725
24 HD21 LEU 2 HD21 LEU 2 -4.761 -1.922 2.076
25 HD22 LEU 2 HD22 LEU 2 -4.900 -2.690 0.482
26 HD23 LEU 2 HD23 LEU 2 -6.351 -2.108 1.327
27 HA PRO 3 HA PRO 3 -10.569 -5.862 -1.577
28 HB2 PRO 3 HB2 PRO 3 -8.847 -5.277 -3.923
29 HB3 PRO 3 HB3 PRO 3 -10.523 -4.761 -3.588
30 HG2 PRO 3 HG2 PRO 3 -8.402 -3.031 -3.472
31 HG3 PRO 3 HG3 PRO 3 -9.821 -2.895 -2.372
32 HD2 PRO 3 HD2 PRO 3 -7.134 -4.163 -1.827
33 HD3 PRO 3 HD3 PRO 3 -8.067 -3.025 -0.815
34 HA PRO 4 HA PRO 4 -9.349 -9.960 -2.370
35 HB2 PRO 4 HB2 PRO 4 -9.879 -9.673 -5.337
36 HB3 PRO 4 HB3 PRO 4 -10.363 -10.996 -4.226
37 HG2 PRO 4 HG2 PRO 4 -12.153 -9.081 -4.869
38 HG3 PRO 4 HG3 PRO 4 -11.989 -9.587 -3.152
39 HD2 PRO 4 HD2 PRO 4 -10.810 -7.156 -4.521
40 HD3 PRO 4 HD3 PRO 4 -11.629 -7.275 -2.931
41 H GLY 5 H GLY 5 -7.413 -10.797 -2.243
42 HA2 GLY 5 HA2 GLY 5 -5.320 -11.575 -2.833
43 HA3 GLY 5 HA3 GLY 5 -5.408 -10.683 -4.361
44 H TRP 6 H TRP 6 -5.997 -8.164 -2.455
45 HA TRP 6 HA TRP 6 -3.221 -7.290 -2.442
46 HB2 TRP 6 HB2 TRP 6 -5.774 -5.968 -1.562
47 HB3 TRP 6 HB3 TRP 6 -4.185 -5.201 -1.450
48 HD1 TRP 6 HD1 TRP 6 -6.862 -6.172 -3.934
49 HE1 TRP 6 HE1 TRP 6 -6.407 -5.108 -6.225
50 HE3 TRP 6 HE3 TRP 6 -2.132 -4.440 -3.068
51 HZ2 TRP 6 HZ2 TRP 6 -4.167 -3.944 -7.589
52 HZ3 TRP 6 HZ3 TRP 6 -0.835 -3.379 -4.911
53 HH2 TRP 6 HH2 TRP 6 -1.829 -3.133 -7.169
54 H GLU 7 H GLU 7 -1.814 -7.028 -0.838
55 HA GLU 7 HA GLU 7 -2.643 -6.916 1.968
56 HB2 GLU 7 HB2 GLU 7 -2.380 -9.282 1.718
57 HB3 GLU 7 HB3 GLU 7 -0.872 -9.092 0.842
58 HG2 GLU 7 HG2 GLU 7 -0.524 -10.002 3.052
59 HG3 GLU 7 HG3 GLU 7 0.316 -8.482 2.837
60 H LYS 8 H LYS 8 -0.998 -6.040 3.370
61 HA LYS 8 HA LYS 8 0.639 -3.995 2.148
62 HB2 LYS 8 HB2 LYS 8 0.374 -5.010 4.985
63 HB3 LYS 8 HB3 LYS 8 1.638 -3.854 4.536
64 HG2 LYS 8 HG2 LYS 8 -0.029 -2.287 3.639
65 HG3 LYS 8 HG3 LYS 8 -1.323 -3.433 4.004
66 HD2 LYS 8 HD2 LYS 8 -1.318 -1.756 5.719
67 HD3 LYS 8 HD3 LYS 8 -0.727 -3.258 6.446
68 HE2 LYS 8 HE2 LYS 8 1.626 -2.432 6.186
69 HE3 LYS 8 HE3 LYS 8 1.010 -0.952 5.443
70 HZ1 LYS 8 HZ1 LYS 8 -0.133 -0.453 7.533
71 HZ2 LYS 8 HZ2 LYS 8 0.424 -1.829 8.220
72 HZ3 LYS 8 HZ3 LYS 8 1.465 -0.642 7.808
73 H ARG 9 H ARG 9 2.721 -3.689 1.967
74 HA ARG 9 HA ARG 9 4.676 -5.930 2.154
75 HB2 ARG 9 HB2 ARG 9 3.313 -5.588 -0.155
76 HB3 ARG 9 HB3 ARG 9 4.436 -4.262 -0.367
77 HG2 ARG 9 HG2 ARG 9 5.285 -6.160 -1.531
78 HG3 ARG 9 HG3 ARG 9 6.335 -5.952 -0.113
79 HD2 ARG 9 HD2 ARG 9 5.152 -7.793 1.040
80 HD3 ARG 9 HD3 ARG 9 3.976 -7.884 -0.281
81 HE ARG 9 HE ARG 9 5.531 -8.919 -1.683
82 HH11 ARG 9 HH11 ARG 9 7.094 -8.292 1.406
83 HH12 ARG 9 HH12 ARG 9 8.394 -9.397 1.052
84 HH21 ARG 9 HH21 ARG 9 7.224 -10.277 -2.051
85 HH22 ARG 9 HH22 ARG 9 8.457 -10.487 -0.839
86 H MET 10 H MET 10 6.966 -5.082 1.784
87 HA MET 10 HA MET 10 7.307 -2.194 2.191
88 HB2 MET 10 HB2 MET 10 6.729 -3.158 4.462
89 HB3 MET 10 HB3 MET 10 8.217 -4.122 4.359
90 HG2 MET 10 HG2 MET 10 9.496 -1.942 4.126
91 HG3 MET 10 HG3 MET 10 7.971 -1.091 4.340
92 HE1 MET 10 HE1 MET 10 10.924 -2.961 5.933
93 HE2 MET 10 HE2 MET 10 10.370 -3.351 7.576
94 HE3 MET 10 HE3 MET 10 9.693 -4.221 6.185
95 H PHE 11 H PHE 11 9.166 -1.435 1.532
96 HA PHE 11 HA PHE 11 11.185 -3.079 0.273
97 HB2 PHE 11 HB2 PHE 11 10.895 -0.113 0.749
98 HB3 PHE 11 HB3 PHE 11 12.304 -0.820 -0.046
99 HD1 PHE 11 HD1 PHE 11 9.058 0.553 -0.626
100 HD2 PHE 11 HD2 PHE 11 11.845 -2.408 -2.090
101 HE1 PHE 11 HE1 PHE 11 7.964 0.613 -2.843
102 HE2 PHE 11 HE2 PHE 11 10.727 -2.352 -4.306
103 HZ PHE 11 HZ PHE 11 8.790 -0.836 -4.688
104 H ALA 12 H ALA 12 13.490 -3.026 0.681
105 HA ALA 12 HA ALA 12 14.174 -3.725 3.341
106 HB1 ALA 12 HB1 ALA 12 15.957 -2.892 1.007
107 HB2 ALA 12 HB2 ALA 12 16.474 -3.796 2.446
108 HB3 ALA 12 HB3 ALA 12 15.326 -4.530 1.311
109 H ASN 13 H ASN 13 14.105 -0.563 1.879
110 HA ASN 13 HA ASN 13 15.748 0.756 3.922
111 HB2 ASN 13 HB2 ASN 13 15.151 2.813 2.695
112 HB3 ASN 13 HB3 ASN 13 15.793 1.553 1.631
113 HD21 ASN 13 HD21 ASN 13 14.820 2.816 -0.088
114 H GLY 14 H GLY 14 12.639 -0.482 4.103
115 HA2 GLY 14 HA2 GLY 14 11.172 -0.272 5.902
116 HA3 GLY 14 HA3 GLY 14 11.925 1.256 6.389
117 H THR 15 H THR 15 10.933 0.938 3.029
118 HA THR 15 HA THR 15 8.732 2.896 3.461
119 HB THR 15 HB THR 15 9.902 1.883 0.860
120 HG1 THR 15 HG1 THR 15 11.412 2.952 1.954
121 HG21 THR 15 HG21 THR 15 8.883 4.048 -0.007
122 HG22 THR 15 HG22 THR 15 7.757 2.740 0.373
123 HG23 THR 15 HG23 THR 15 7.950 4.114 1.500
124 H VAL 16 H VAL 16 6.640 2.322 3.484
125 HA VAL 16 HA VAL 16 5.903 -0.500 2.936
126 HB VAL 16 HB VAL 16 4.506 1.795 4.356
127 HG11 VAL 16 HG11 VAL 16 2.813 0.162 5.101
128 HG12 VAL 16 HG12 VAL 16 2.722 0.433 3.365
129 HG13 VAL 16 HG13 VAL 16 3.483 -1.053 3.987
130 HG21 VAL 16 HG21 VAL 16 4.799 0.374 6.350
131 HG22 VAL 16 HG22 VAL 16 5.602 -0.866 5.370
132 HG23 VAL 16 HG23 VAL 16 6.368 0.722 5.607
133 H TYR 17 H TYR 17 4.371 -1.148 1.540
134 HA TYR 17 HA TYR 17 2.746 0.680 -0.069
135 HB2 TYR 17 HB2 TYR 17 3.552 -0.087 -2.212
136 HB3 TYR 17 HB3 TYR 17 4.858 0.637 -1.333
137 HD1 TYR 17 HD1 TYR 17 6.607 -0.915 -0.203
138 HD2 TYR 17 HD2 TYR 17 3.757 -2.251 -3.163
139 HE1 TYR 17 HE1 TYR 17 8.076 -2.848 -0.772
140 HE2 TYR 17 HE2 TYR 17 5.217 -4.179 -3.704
141 HH TYR 17 HH TYR 17 7.243 -5.179 -3.335
142 H TYR 18 H TYR 18 1.695 -1.046 -1.863
143 HA TYR 18 HA TYR 18 0.612 -3.342 -0.279
144 HB2 TYR 18 HB2 TYR 18 -0.869 -1.522 -2.217
145 HB3 TYR 18 HB3 TYR 18 -1.547 -2.880 -1.306
146 HD1 TYR 18 HD1 TYR 18 -0.334 0.606 -1.106
147 HD2 TYR 18 HD2 TYR 18 -1.991 -2.702 1.111
148 HE1 TYR 18 HE1 TYR 18 -0.732 2.113 0.823
149 HE2 TYR 18 HE2 TYR 18 -2.445 -1.174 3.034
150 HH TYR 18 HH TYR 18 -1.509 2.272 2.969
151 H PHE 19 H PHE 19 0.316 -5.242 -1.338
152 HA PHE 19 HA PHE 19 1.094 -5.468 -4.209
153 HB2 PHE 19 HB2 PHE 19 3.094 -5.858 -2.915
154 HB3 PHE 19 HB3 PHE 19 2.242 -7.018 -1.878
155 HD1 PHE 19 HD1 PHE 19 3.162 -6.349 -5.419
156 HD2 PHE 19 HD2 PHE 19 2.187 -9.370 -2.498
157 HE1 PHE 19 HE1 PHE 19 3.649 -8.086 -7.079
158 HE2 PHE 19 HE2 PHE 19 2.760 -11.133 -4.147
159 HZ PHE 19 HZ PHE 19 3.487 -10.513 -6.444
160 H ASN 20 H ASN 20 -0.032 -6.892 -5.414
161 HA ASN 20 HA ASN 20 -2.196 -8.406 -4.060
162 HB2 ASN 20 HB2 ASN 20 -2.664 -6.780 -5.938
163 HB3 ASN 20 HB3 ASN 20 -1.857 -7.920 -7.030
164 HD21 ASN 20 HD21 ASN 20 -4.831 -6.995 -6.096
165 HD22 ASN 20 HD22 ASN 20 -5.686 -8.527 -6.141
166 H HIS 21 H HIS 21 -1.777 -10.468 -3.547
167 HA HIS 21 HA HIS 21 0.497 -11.880 -4.667
168 HB2 HIS 21 HB2 HIS 21 0.206 -13.384 -2.988
169 HB3 HIS 21 HB3 HIS 21 -0.542 -11.962 -2.265
170 HD2 HIS 21 HD2 HIS 21 -3.089 -12.190 -1.542
171 HE1 HIS 21 HE1 HIS 21 -3.753 -16.184 -2.876
172 HE2 HIS 21 HE2 HIS 21 -4.716 -14.259 -1.515
173 H ILE 22 H ILE 22 -2.861 -11.766 -5.576
174 HA ILE 22 HA ILE 22 -2.875 -14.337 -7.002
175 HB ILE 22 HB ILE 22 -4.908 -12.065 -6.879
176 HG12 ILE 22 HG12 ILE 22 -4.757 -14.680 -5.295
177 HG13 ILE 22 HG13 ILE 22 -4.467 -13.056 -4.649
178 HG21 ILE 22 HG21 ILE 22 -6.530 -13.727 -7.715
179 HG22 ILE 22 HG22 ILE 22 -5.234 -13.485 -8.869
180 HG23 ILE 22 HG23 ILE 22 -5.232 -14.938 -7.841
181 HD11 ILE 22 HD11 ILE 22 -7.117 -14.196 -5.552
182 HD12 ILE 22 HD12 ILE 22 -6.620 -13.649 -3.941
183 HD13 ILE 22 HD13 ILE 22 -6.849 -12.462 -5.242
184 H THR 23 H THR 23 -2.767 -10.878 -7.766
185 HA THR 23 HA THR 23 -2.537 -11.452 -10.665
186 HB THR 23 HB THR 23 -3.503 -9.400 -11.137
187 HG1 THR 23 HG1 THR 23 -4.022 -8.159 -9.038
188 HG21 THR 23 HG21 THR 23 -4.965 -10.207 -8.580
189 HG22 THR 23 HG22 THR 23 -5.612 -9.339 -9.985
190 HG23 THR 23 HG23 THR 23 -5.144 -11.040 -10.141
191 H ASN 24 H ASN 24 -0.436 -10.607 -8.232
192 HA ASN 24 HA ASN 24 1.633 -9.832 -8.084
193 HB2 ASN 24 HB2 ASN 24 1.740 -11.474 -10.185
194 HB3 ASN 24 HB3 ASN 24 2.173 -9.983 -11.037
195 HD21 ASN 24 HD21 ASN 24 3.966 -8.680 -9.761
196 HD22 ASN 24 HD22 ASN 24 5.312 -9.693 -9.204
197 H ALA 25 H ALA 25 -0.671 -7.923 -8.943
198 HA ALA 25 HA ALA 25 0.685 -5.587 -10.006
199 HB1 ALA 25 HB1 ALA 25 -1.934 -5.858 -8.468
200 HB2 ALA 25 HB2 ALA 25 -1.400 -4.441 -9.395
201 HB3 ALA 25 HB3 ALA 25 -1.750 -5.963 -10.233
202 H SER 26 H SER 26 1.120 -3.615 -8.835
203 HA SER 26 HA SER 26 1.330 -3.759 -5.899
204 HB2 SER 26 HB2 SER 26 3.602 -2.859 -5.850
205 HB3 SER 26 HB3 SER 26 3.535 -4.488 -6.518
206 HG SER 26 HG SER 26 3.772 -3.646 -8.572
207 H GLN 27 H GLN 27 1.331 -1.737 -4.848
208 HA GLN 27 HA GLN 27 1.275 0.761 -6.377
209 HB2 GLN 27 HB2 GLN 27 -1.215 -0.612 -5.646
210 HB3 GLN 27 HB3 GLN 27 -1.095 0.903 -4.782
211 HG2 GLN 27 HG2 GLN 27 -0.876 0.595 -7.795
212 HG3 GLN 27 HG3 GLN 27 -2.301 1.121 -6.903
213 HE21 GLN 27 HE21 GLN 27 -1.620 2.835 -8.811
214 HE22 GLN 27 HE22 GLN 27 -0.780 4.235 -8.132
215 H PHE 28 H PHE 28 1.803 2.510 -5.143
216 HA PHE 28 HA PHE 28 2.486 2.071 -2.308
217 HB2 PHE 28 HB2 PHE 28 4.201 3.130 -3.446
218 HB3 PHE 28 HB3 PHE 28 3.103 4.257 -4.251
219 HD1 PHE 28 HD1 PHE 28 4.761 3.455 -1.033
220 HD2 PHE 28 HD2 PHE 28 2.374 6.318 -3.203
221 HE1 PHE 28 HE1 PHE 28 5.176 5.139 0.739
222 HE2 PHE 28 HE2 PHE 28 2.794 8.008 -1.428
223 HZ PHE 28 HZ PHE 28 4.194 7.423 0.545
224 H GLU 29 H GLU 29 -0.049 3.607 -4.141
225 HA GLU 29 HA GLU 29 -1.243 4.898 -1.788
226 HB2 GLU 29 HB2 GLU 29 -1.500 6.021 -3.882
227 HB3 GLU 29 HB3 GLU 29 -2.022 4.551 -4.688
228 HG2 GLU 29 HG2 GLU 29 -3.860 6.026 -4.477
229 HG3 GLU 29 HG3 GLU 29 -4.163 4.583 -3.529
230 H ARG 30 H ARG 30 -3.027 4.199 -0.656
231 HA ARG 30 HA ARG 30 -3.408 1.390 -0.340
232 HB2 ARG 30 HB2 ARG 30 -3.643 2.920 1.472
233 HB3 ARG 30 HB3 ARG 30 -4.962 3.783 0.699
234 HG2 ARG 30 HG2 ARG 30 -5.273 0.820 1.241
235 HG3 ARG 30 HG3 ARG 30 -5.349 1.948 2.603
236 HD2 ARG 30 HD2 ARG 30 -7.416 2.658 2.100
237 HD3 ARG 30 HD3 ARG 30 -7.011 2.930 0.412
238 HE ARG 30 HE ARG 30 -7.930 0.925 -0.184
239 HH11 ARG 30 HH11 ARG 30 -8.961 -0.924 -0.008
240 HH12 ARG 30 HH12 ARG 30 -9.292 -1.630 1.582
241 HH21 ARG 30 HH21 ARG 30 -8.454 -0.790 3.353
242 HH22 ARG 30 HH22 ARG 30 -7.596 0.745 3.328
243 HA PRO 31 HA PRO 31 -5.944 0.941 -3.937
244 HB2 PRO 31 HB2 PRO 31 -6.428 -1.754 -3.930
245 HB3 PRO 31 HB3 PRO 31 -4.824 -1.037 -4.265
246 HG2 PRO 31 HG2 PRO 31 -5.860 -2.106 -1.621
247 HG3 PRO 31 HG3 PRO 31 -4.306 -2.488 -2.432
248 HD2 PRO 31 HD2 PRO 31 -4.449 -0.611 -0.482
249 HD3 PRO 31 HD3 PRO 31 -3.409 -0.366 -1.913
250 H SER 32 H SER 32 -7.988 1.281 -4.437
251 HA SER 32 HA SER 32 -10.195 1.691 -4.313
252 HB2 SER 32 HB2 SER 32 -10.222 -0.832 -4.290
253 HB3 SER 32 HB3 SER 32 -10.493 -0.736 -2.539
254 HG SER 32 HG SER 32 -12.432 -0.881 -3.808
255 H GLY 33 H GLY 33 -12.162 1.915 -2.708
256 HA2 GLY 33 HA2 GLY 33 -11.799 2.690 0.010
257 HA3 GLY 33 HA3 GLY 33 -11.602 4.130 -0.991
258 H1' ALL 101 H1 ALL 34 11.933 2.156 -0.455
259 H2' ALL 101 H2 ALL 34 13.624 4.374 -1.731
260 H3' ALL 101 H3 ALL 34 11.660 4.971 -3.046
261 H4' ALL 101 H4 ALL 34 13.142 3.358 -4.106
262 H5' ALL 101 H5 ALL 34 11.523 1.150 -2.762
263 H6'1 ALL 101 H62 ALL 34 12.617 0.635 -5.052
264 H6'2 ALL 101 H61 ALL 34 13.068 -0.412 -3.692
265 HO'2 ALL 101 H2O ALL 34 11.574 4.408 0.245
266 HO'3 ALL 101 H3O ALL 34 9.989 4.301 -1.694
267 HO'4 ALL 101 H4O ALL 34 10.353 2.869 -4.257
268 HO'6 ALL 101 H6O ALL 34 14.857 1.093 -3.349
Start of MODEL 18
1 H1 LYS 1 H1 LYS 1 -12.195 -6.116 3.002
2 H2 LYS 1 H2 LYS 1 -12.052 -6.244 4.624
3 H3 LYS 1 H3 LYS 1 -10.779 -6.608 3.665
4 HA LYS 1 HA LYS 1 -12.014 -3.955 3.992
5 HB2 LYS 1 HB2 LYS 1 -10.740 -4.722 5.961
6 HB3 LYS 1 HB3 LYS 1 -9.280 -4.862 4.999
7 HG2 LYS 1 HG2 LYS 1 -10.799 -2.233 5.049
8 HG3 LYS 1 HG3 LYS 1 -9.906 -2.709 6.477
9 HD2 LYS 1 HD2 LYS 1 -8.652 -2.283 3.732
10 HD3 LYS 1 HD3 LYS 1 -8.647 -1.161 5.091
11 HE2 LYS 1 HE2 LYS 1 -7.555 -3.073 6.465
12 HE3 LYS 1 HE3 LYS 1 -7.242 -3.856 4.906
13 HZ1 LYS 1 HZ1 LYS 1 -5.369 -2.502 5.592
14 HZ2 LYS 1 HZ2 LYS 1 -6.019 -1.835 4.246
15 HZ3 LYS 1 HZ3 LYS 1 -6.289 -1.163 5.716
16 H LEU 2 H LEU 2 -8.878 -5.280 2.798
17 HA LEU 2 HA LEU 2 -8.831 -3.428 0.531
18 HB2 LEU 2 HB2 LEU 2 -7.111 -5.792 1.396
19 HB3 LEU 2 HB3 LEU 2 -6.778 -4.839 -0.053
20 HG LEU 2 HG LEU 2 -6.907 -3.588 2.710
21 HD11 LEU 2 HD11 LEU 2 -5.116 -5.238 2.703
22 HD12 LEU 2 HD12 LEU 2 -4.484 -4.579 1.174
23 HD13 LEU 2 HD13 LEU 2 -4.439 -3.600 2.661
24 HD21 LEU 2 HD21 LEU 2 -5.596 -1.793 1.618
25 HD22 LEU 2 HD22 LEU 2 -5.697 -2.673 0.081
26 HD23 LEU 2 HD23 LEU 2 -7.165 -1.996 0.826
27 HA PRO 3 HA PRO 3 -10.859 -6.040 -2.426
28 HB2 PRO 3 HB2 PRO 3 -8.815 -5.577 -4.528
29 HB3 PRO 3 HB3 PRO 3 -10.530 -5.088 -4.491
30 HG2 PRO 3 HG2 PRO 3 -8.482 -3.280 -4.190
31 HG3 PRO 3 HG3 PRO 3 -10.055 -3.111 -3.344
32 HD2 PRO 3 HD2 PRO 3 -7.463 -4.270 -2.290
33 HD3 PRO 3 HD3 PRO 3 -8.551 -3.085 -1.513
34 HA PRO 4 HA PRO 4 -9.380 -10.125 -2.552
35 HB2 PRO 4 HB2 PRO 4 -9.699 -10.237 -5.559
36 HB3 PRO 4 HB3 PRO 4 -10.223 -11.424 -4.323
37 HG2 PRO 4 HG2 PRO 4 -12.017 -9.685 -5.347
38 HG3 PRO 4 HG3 PRO 4 -11.979 -9.965 -3.573
39 HD2 PRO 4 HD2 PRO 4 -10.771 -7.673 -5.143
40 HD3 PRO 4 HD3 PRO 4 -11.719 -7.631 -3.624
41 H GLY 5 H GLY 5 -7.401 -10.792 -2.174
42 HA2 GLY 5 HA2 GLY 5 -5.258 -11.571 -2.586
43 HA3 GLY 5 HA3 GLY 5 -5.281 -10.832 -4.196
44 H TRP 6 H TRP 6 -6.074 -8.176 -2.529
45 HA TRP 6 HA TRP 6 -3.336 -7.186 -2.482
46 HB2 TRP 6 HB2 TRP 6 -5.985 -5.923 -1.844
47 HB3 TRP 6 HB3 TRP 6 -4.446 -5.085 -1.621
48 HD1 TRP 6 HD1 TRP 6 -6.780 -6.345 -4.327
49 HE1 TRP 6 HE1 TRP 6 -6.181 -5.276 -6.591
50 HE3 TRP 6 HE3 TRP 6 -2.319 -4.212 -3.037
51 HZ2 TRP 6 HZ2 TRP 6 -3.960 -3.833 -7.729
52 HZ3 TRP 6 HZ3 TRP 6 -0.954 -3.025 -4.756
53 HH2 TRP 6 HH2 TRP 6 -1.756 -2.842 -7.090
54 H GLU 7 H GLU 7 -1.973 -6.860 -0.895
55 HA GLU 7 HA GLU 7 -2.791 -6.770 1.954
56 HB2 GLU 7 HB2 GLU 7 -0.710 -8.647 0.747
57 HB3 GLU 7 HB3 GLU 7 -0.805 -8.293 2.461
58 HG2 GLU 7 HG2 GLU 7 -2.980 -9.665 0.829
59 HG3 GLU 7 HG3 GLU 7 -1.810 -10.452 1.870
60 H LYS 8 H LYS 8 -1.038 -5.951 3.356
61 HA LYS 8 HA LYS 8 0.559 -3.835 2.116
62 HB2 LYS 8 HB2 LYS 8 0.244 -4.804 4.965
63 HB3 LYS 8 HB3 LYS 8 1.549 -3.697 4.506
64 HG2 LYS 8 HG2 LYS 8 -0.055 -2.092 3.575
65 HG3 LYS 8 HG3 LYS 8 -1.391 -3.189 3.937
66 HD2 LYS 8 HD2 LYS 8 -1.367 -1.501 5.634
67 HD3 LYS 8 HD3 LYS 8 -0.800 -3.001 6.389
68 HE2 LYS 8 HE2 LYS 8 1.568 -2.209 6.101
69 HE3 LYS 8 HE3 LYS 8 0.961 -0.726 5.354
70 HZ1 LYS 8 HZ1 LYS 8 -0.163 -0.207 7.451
71 HZ2 LYS 8 HZ2 LYS 8 0.387 -1.583 8.140
72 HZ3 LYS 8 HZ3 LYS 8 1.436 -0.408 7.715
73 H ARG 9 H ARG 9 2.658 -3.614 1.933
74 HA ARG 9 HA ARG 9 4.532 -5.905 2.231
75 HB2 ARG 9 HB2 ARG 9 3.290 -5.855 -0.048
76 HB3 ARG 9 HB3 ARG 9 4.148 -4.359 -0.374
77 HG2 ARG 9 HG2 ARG 9 5.254 -6.146 -1.494
78 HG3 ARG 9 HG3 ARG 9 6.322 -5.642 -0.172
79 HD2 ARG 9 HD2 ARG 9 5.473 -7.580 1.180
80 HD3 ARG 9 HD3 ARG 9 4.475 -8.079 -0.199
81 HE ARG 9 HE ARG 9 7.359 -8.416 0.163
82 HH11 ARG 9 HH11 ARG 9 4.889 -8.332 -2.337
83 HH12 ARG 9 HH12 ARG 9 5.892 -9.194 -3.465
84 HH21 ARG 9 HH21 ARG 9 8.561 -9.512 -1.327
85 HH22 ARG 9 HH22 ARG 9 7.906 -9.838 -2.908
86 H MET 10 H MET 10 6.850 -5.146 1.790
87 HA MET 10 HA MET 10 7.303 -2.271 2.196
88 HB2 MET 10 HB2 MET 10 6.718 -3.186 4.459
89 HB3 MET 10 HB3 MET 10 8.103 -4.289 4.324
90 HG2 MET 10 HG2 MET 10 9.545 -2.180 4.029
91 HG3 MET 10 HG3 MET 10 8.130 -1.256 4.515
92 HE1 MET 10 HE1 MET 10 7.177 -1.219 7.043
93 HE2 MET 10 HE2 MET 10 6.794 -2.946 6.823
94 HE3 MET 10 HE3 MET 10 7.670 -2.402 8.267
95 H PHE 11 H PHE 11 9.164 -1.596 1.462
96 HA PHE 11 HA PHE 11 11.093 -3.325 0.168
97 HB2 PHE 11 HB2 PHE 11 10.908 -0.343 0.594
98 HB3 PHE 11 HB3 PHE 11 12.267 -1.108 -0.234
99 HD1 PHE 11 HD1 PHE 11 8.955 0.241 -0.678
100 HD2 PHE 11 HD2 PHE 11 11.801 -2.583 -2.292
101 HE1 PHE 11 HE1 PHE 11 7.769 0.270 -2.848
102 HE2 PHE 11 HE2 PHE 11 10.605 -2.536 -4.465
103 HZ PHE 11 HZ PHE 11 8.587 -1.106 -4.748
104 H ALA 12 H ALA 12 13.418 -3.303 0.496
105 HA ALA 12 HA ALA 12 14.173 -3.994 3.137
106 HB1 ALA 12 HB1 ALA 12 16.441 -4.118 2.173
107 HB2 ALA 12 HB2 ALA 12 15.244 -4.832 1.077
108 HB3 ALA 12 HB3 ALA 12 15.898 -3.210 0.745
109 H ASN 13 H ASN 13 14.124 -0.834 1.666
110 HA ASN 13 HA ASN 13 15.860 0.452 3.656
111 HB2 ASN 13 HB2 ASN 13 15.269 2.524 2.439
112 HB3 ASN 13 HB3 ASN 13 15.872 1.249 1.369
113 HD21 ASN 13 HD21 ASN 13 14.877 2.527 -0.335
114 H GLY 14 H GLY 14 12.725 -0.704 3.922
115 HA2 GLY 14 HA2 GLY 14 11.298 -0.442 5.746
116 HA3 GLY 14 HA3 GLY 14 12.110 1.062 6.214
117 H THR 15 H THR 15 11.013 0.720 2.881
118 HA THR 15 HA THR 15 8.906 2.783 3.328
119 HB THR 15 HB THR 15 9.956 1.629 0.727
120 HG1 THR 15 HG1 THR 15 11.527 2.702 1.727
121 HG21 THR 15 HG21 THR 15 8.973 3.762 -0.220
122 HG22 THR 15 HG22 THR 15 7.811 2.530 0.285
123 HG23 THR 15 HG23 THR 15 8.105 3.959 1.316
124 H VAL 16 H VAL 16 6.779 2.306 3.377
125 HA VAL 16 HA VAL 16 5.902 -0.494 2.898
126 HB VAL 16 HB VAL 16 4.619 1.894 4.275
127 HG11 VAL 16 HG11 VAL 16 2.768 0.621 3.287
128 HG12 VAL 16 HG12 VAL 16 3.446 -0.899 3.919
129 HG13 VAL 16 HG13 VAL 16 2.834 0.353 5.025
130 HG21 VAL 16 HG21 VAL 16 4.824 0.475 6.285
131 HG22 VAL 16 HG22 VAL 16 5.557 -0.815 5.312
132 HG23 VAL 16 HG23 VAL 16 6.412 0.729 5.543
133 H TYR 17 H TYR 17 4.357 -1.086 1.495
134 HA TYR 17 HA TYR 17 2.814 0.794 -0.135
135 HB2 TYR 17 HB2 TYR 17 3.634 0.052 -2.260
136 HB3 TYR 17 HB3 TYR 17 4.989 0.640 -1.348
137 HD1 TYR 17 HD1 TYR 17 6.555 -1.107 -0.197
138 HD2 TYR 17 HD2 TYR 17 3.703 -2.071 -3.290
139 HE1 TYR 17 HE1 TYR 17 7.895 -3.113 -0.826
140 HE2 TYR 17 HE2 TYR 17 5.028 -4.084 -3.890
141 HH TYR 17 HH TYR 17 6.988 -5.217 -3.560
142 H TYR 18 H TYR 18 1.689 -0.859 -1.903
143 HA TYR 18 HA TYR 18 0.580 -3.150 -0.341
144 HB2 TYR 18 HB2 TYR 18 -0.879 -1.263 -2.222
145 HB3 TYR 18 HB3 TYR 18 -1.571 -2.663 -1.389
146 HD1 TYR 18 HD1 TYR 18 -2.175 -2.571 0.973
147 HD2 TYR 18 HD2 TYR 18 -0.183 0.745 -0.938
148 HE1 TYR 18 HE1 TYR 18 -2.600 -1.152 2.977
149 HE2 TYR 18 HE2 TYR 18 -0.529 2.136 1.077
150 HH TYR 18 HH TYR 18 -1.369 2.205 3.207
151 H PHE 19 H PHE 19 0.149 -5.027 -1.399
152 HA PHE 19 HA PHE 19 1.041 -5.346 -4.233
153 HB2 PHE 19 HB2 PHE 19 2.991 -5.642 -2.780
154 HB3 PHE 19 HB3 PHE 19 2.107 -6.838 -1.815
155 HD1 PHE 19 HD1 PHE 19 3.312 -6.092 -5.251
156 HD2 PHE 19 HD2 PHE 19 2.103 -9.173 -2.485
157 HE1 PHE 19 HE1 PHE 19 4.011 -7.800 -6.873
158 HE2 PHE 19 HE2 PHE 19 2.879 -10.902 -4.091
159 HZ PHE 19 HZ PHE 19 3.835 -10.234 -6.287
160 H ASN 20 H ASN 20 -0.072 -6.851 -5.372
161 HA ASN 20 HA ASN 20 -2.192 -8.372 -3.952
162 HB2 ASN 20 HB2 ASN 20 -2.715 -6.897 -5.931
163 HB3 ASN 20 HB3 ASN 20 -1.824 -8.053 -6.942
164 HD21 ASN 20 HD21 ASN 20 -5.622 -8.855 -5.932
165 HD22 ASN 20 HD22 ASN 20 -4.870 -7.264 -5.893
166 H HIS 21 H HIS 21 -1.751 -10.410 -3.339
167 HA HIS 21 HA HIS 21 0.629 -11.773 -4.267
168 HB2 HIS 21 HB2 HIS 21 0.266 -13.269 -2.584
169 HB3 HIS 21 HB3 HIS 21 -0.523 -11.829 -1.938
170 HD2 HIS 21 HD2 HIS 21 -3.094 -12.066 -1.318
171 HE1 HIS 21 HE1 HIS 21 -3.659 -16.103 -2.560
172 HE2 HIS 21 HE2 HIS 21 -4.699 -14.152 -1.297
173 H ILE 22 H ILE 22 -2.649 -11.824 -5.416
174 HA ILE 22 HA ILE 22 -2.473 -14.445 -6.735
175 HB ILE 22 HB ILE 22 -4.610 -12.272 -6.857
176 HG12 ILE 22 HG12 ILE 22 -4.475 -14.746 -5.066
177 HG13 ILE 22 HG13 ILE 22 -4.250 -13.074 -4.527
178 HG21 ILE 22 HG21 ILE 22 -4.744 -15.225 -7.593
179 HG22 ILE 22 HG22 ILE 22 -6.098 -14.072 -7.648
180 HG23 ILE 22 HG23 ILE 22 -4.740 -13.863 -8.738
181 HD11 ILE 22 HD11 ILE 22 -6.425 -13.660 -3.899
182 HD12 ILE 22 HD12 ILE 22 -6.593 -12.562 -5.283
183 HD13 ILE 22 HD13 ILE 22 -6.827 -14.317 -5.496
184 H THR 23 H THR 23 -2.469 -11.010 -7.610
185 HA THR 23 HA THR 23 -2.050 -11.661 -10.476
186 HB THR 23 HB THR 23 -3.141 -9.684 -11.059
187 HG1 THR 23 HG1 THR 23 -3.897 -8.396 -9.130
188 HG21 THR 23 HG21 THR 23 -5.323 -9.812 -10.065
189 HG22 THR 23 HG22 THR 23 -4.689 -11.464 -10.143
190 HG23 THR 23 HG23 THR 23 -4.700 -10.588 -8.596
191 H ASN 24 H ASN 24 -0.127 -10.678 -8.006
192 HA ASN 24 HA ASN 24 1.747 -9.598 -7.689
193 HB2 ASN 24 HB2 ASN 24 3.594 -9.890 -9.229
194 HB3 ASN 24 HB3 ASN 24 2.664 -11.365 -8.969
195 HD21 ASN 24 HD21 ASN 24 2.024 -12.494 -10.773
196 HD22 ASN 24 HD22 ASN 24 2.125 -11.839 -12.410
197 H ALA 25 H ALA 25 -0.492 -7.936 -8.835
198 HA ALA 25 HA ALA 25 0.739 -5.559 -9.911
199 HB1 ALA 25 HB1 ALA 25 -1.680 -6.094 -10.102
200 HB2 ALA 25 HB2 ALA 25 -1.850 -5.939 -8.339
201 HB3 ALA 25 HB3 ALA 25 -1.413 -4.523 -9.315
202 H SER 26 H SER 26 1.194 -3.573 -8.816
203 HA SER 26 HA SER 26 1.404 -3.606 -5.868
204 HB2 SER 26 HB2 SER 26 3.677 -2.741 -5.888
205 HB3 SER 26 HB3 SER 26 3.590 -4.352 -6.608
206 HG SER 26 HG SER 26 4.879 -2.955 -7.855
207 H GLN 27 H GLN 27 1.366 -1.565 -4.870
208 HA GLN 27 HA GLN 27 1.206 0.902 -6.430
209 HB2 GLN 27 HB2 GLN 27 -1.021 -0.002 -6.836
210 HB3 GLN 27 HB3 GLN 27 -1.240 -0.334 -5.121
211 HG2 GLN 27 HG2 GLN 27 -2.578 1.535 -5.761
212 HG3 GLN 27 HG3 GLN 27 -1.341 2.070 -4.644
213 HE21 GLN 27 HE21 GLN 27 -2.979 3.224 -7.182
214 HE22 GLN 27 HE22 GLN 27 -1.705 4.199 -7.925
215 H PHE 28 H PHE 28 1.360 2.767 -5.169
216 HA PHE 28 HA PHE 28 2.321 2.344 -2.406
217 HB2 PHE 28 HB2 PHE 28 2.519 4.683 -4.290
218 HB3 PHE 28 HB3 PHE 28 2.931 4.798 -2.576
219 HD1 PHE 28 HD1 PHE 28 3.989 3.470 -5.828
220 HD2 PHE 28 HD2 PHE 28 4.839 3.540 -1.596
221 HE1 PHE 28 HE1 PHE 28 6.279 2.617 -6.273
222 HE2 PHE 28 HE2 PHE 28 7.129 2.695 -2.051
223 HZ PHE 28 HZ PHE 28 7.854 2.239 -4.385
224 H GLU 29 H GLU 29 -0.361 4.072 -3.890
225 HA GLU 29 HA GLU 29 -1.441 5.034 -1.345
226 HB2 GLU 29 HB2 GLU 29 -2.681 4.722 -4.110
227 HB3 GLU 29 HB3 GLU 29 -3.490 5.479 -2.746
228 HG2 GLU 29 HG2 GLU 29 -0.916 6.466 -4.054
229 HG3 GLU 29 HG3 GLU 29 -2.529 7.110 -4.328
230 H ARG 30 H ARG 30 -3.357 4.265 -0.294
231 HA ARG 30 HA ARG 30 -3.456 1.411 -0.019
232 HB2 ARG 30 HB2 ARG 30 -4.051 3.231 1.718
233 HB3 ARG 30 HB3 ARG 30 -5.622 3.307 0.921
234 HG2 ARG 30 HG2 ARG 30 -5.337 0.567 1.300
235 HG3 ARG 30 HG3 ARG 30 -4.407 1.204 2.665
236 HD2 ARG 30 HD2 ARG 30 -6.581 0.913 3.503
237 HD3 ARG 30 HD3 ARG 30 -6.466 2.656 3.195
238 HE ARG 30 HE ARG 30 -7.482 1.262 0.872
239 HH11 ARG 30 HH11 ARG 30 -9.485 1.213 0.296
240 HH12 ARG 30 HH12 ARG 30 -10.801 1.624 1.404
241 HH21 ARG 30 HH21 ARG 30 -10.335 2.242 3.449
242 HH22 ARG 30 HH22 ARG 30 -8.683 2.294 4.028
243 HA PRO 31 HA PRO 31 -6.221 0.548 -3.500
244 HB2 PRO 31 HB2 PRO 31 -6.561 -2.018 -1.960
245 HB3 PRO 31 HB3 PRO 31 -6.326 -1.792 -3.720
246 HG2 PRO 31 HG2 PRO 31 -4.247 -2.531 -2.156
247 HG3 PRO 31 HG3 PRO 31 -4.010 -1.261 -3.406
248 HD2 PRO 31 HD2 PRO 31 -4.419 -0.917 -0.426
249 HD3 PRO 31 HD3 PRO 31 -3.296 -0.087 -1.529
250 H SER 32 H SER 32 -8.478 -0.138 -3.904
251 HA SER 32 HA SER 32 -10.264 1.502 -2.554
252 HB2 SER 32 HB2 SER 32 -10.856 -0.884 -4.342
253 HB3 SER 32 HB3 SER 32 -12.022 0.377 -3.897
254 HG SER 32 HG SER 32 -11.017 0.820 -5.899
255 H GLY 33 H GLY 33 -12.058 1.264 -1.255
256 HA2 GLY 33 HA2 GLY 33 -13.338 -0.912 -0.162
257 HA3 GLY 33 HA3 GLY 33 -11.907 -0.762 0.857
258 H1' ALL 101 H1 ALL 34 12.002 1.805 -0.663
259 H2' ALL 101 H2 ALL 34 13.636 3.991 -2.062
260 H3' ALL 101 H3 ALL 34 11.651 4.468 -3.394
261 H4' ALL 101 H4 ALL 34 13.154 2.820 -4.372
262 H5' ALL 101 H5 ALL 34 11.600 0.679 -2.856
263 H6'1 ALL 101 H62 ALL 34 13.908 0.573 -4.826
264 H6'2 ALL 101 H61 ALL 34 12.413 -0.387 -4.833
265 HO'2 ALL 101 H2O ALL 34 11.634 4.088 -0.049
266 HO'3 ALL 101 H3O ALL 34 10.010 3.849 -1.978
267 HO'4 ALL 101 H4O ALL 34 10.379 2.254 -4.464
268 HO'6 ALL 101 H6O ALL 34 14.152 -0.462 -2.623
Start of MODEL 19
1 H1 LYS 1 H1 LYS 1 -11.024 -5.777 4.812
2 H2 LYS 1 H2 LYS 1 -10.376 -6.049 6.284
3 H3 LYS 1 H3 LYS 1 -9.625 -6.618 4.949
4 HA LYS 1 HA LYS 1 -10.039 -3.792 5.655
5 HB2 LYS 1 HB2 LYS 1 -7.642 -3.573 5.997
6 HB3 LYS 1 HB3 LYS 1 -8.396 -4.675 7.137
7 HG2 LYS 1 HG2 LYS 1 -7.484 -6.622 5.882
8 HG3 LYS 1 HG3 LYS 1 -6.708 -5.511 4.738
9 HD2 LYS 1 HD2 LYS 1 -5.467 -4.471 6.665
10 HD3 LYS 1 HD3 LYS 1 -6.087 -5.762 7.704
11 HE2 LYS 1 HE2 LYS 1 -4.427 -6.148 5.165
12 HE3 LYS 1 HE3 LYS 1 -3.770 -6.173 6.801
13 HZ1 LYS 1 HZ1 LYS 1 -5.025 -8.146 7.275
14 HZ2 LYS 1 HZ2 LYS 1 -5.842 -8.074 5.855
15 HZ3 LYS 1 HZ3 LYS 1 -4.251 -8.397 5.844
16 H LEU 2 H LEU 2 -8.184 -5.816 3.308
17 HA LEU 2 HA LEU 2 -8.303 -3.568 1.356
18 HB2 LEU 2 HB2 LEU 2 -6.259 -5.643 2.096
19 HB3 LEU 2 HB3 LEU 2 -6.437 -5.267 0.382
20 HG LEU 2 HG LEU 2 -6.123 -2.841 0.879
21 HD11 LEU 2 HD11 LEU 2 -5.313 -3.819 3.646
22 HD12 LEU 2 HD12 LEU 2 -4.917 -2.230 2.968
23 HD13 LEU 2 HD13 LEU 2 -6.616 -2.664 3.262
24 HD21 LEU 2 HD21 LEU 2 -3.774 -2.972 1.003
25 HD22 LEU 2 HD22 LEU 2 -3.803 -4.537 1.861
26 HD23 LEU 2 HD23 LEU 2 -4.289 -4.425 0.162
27 HA PRO 3 HA PRO 3 -10.780 -5.921 -1.471
28 HB2 PRO 3 HB2 PRO 3 -9.741 -5.279 -3.947
29 HB3 PRO 3 HB3 PRO 3 -10.685 -4.143 -2.932
30 HG2 PRO 3 HG2 PRO 3 -7.668 -4.406 -3.123
31 HG3 PRO 3 HG3 PRO 3 -8.656 -2.920 -3.262
32 HD2 PRO 3 HD2 PRO 3 -7.471 -3.604 -0.938
33 HD3 PRO 3 HD3 PRO 3 -9.126 -2.919 -0.937
34 HA PRO 4 HA PRO 4 -9.348 -9.879 -2.173
35 HB2 PRO 4 HB2 PRO 4 -10.059 -9.753 -5.113
36 HB3 PRO 4 HB3 PRO 4 -10.406 -11.051 -3.923
37 HG2 PRO 4 HG2 PRO 4 -12.328 -9.254 -4.523
38 HG3 PRO 4 HG3 PRO 4 -12.033 -9.679 -2.803
39 HD2 PRO 4 HD2 PRO 4 -11.078 -7.250 -4.336
40 HD3 PRO 4 HD3 PRO 4 -11.782 -7.352 -2.692
41 H GLY 5 H GLY 5 -7.436 -10.788 -2.221
42 HA2 GLY 5 HA2 GLY 5 -5.354 -11.509 -2.900
43 HA3 GLY 5 HA3 GLY 5 -5.534 -10.617 -4.421
44 H TRP 6 H TRP 6 -6.056 -8.051 -2.691
45 HA TRP 6 HA TRP 6 -3.267 -7.220 -2.627
46 HB2 TRP 6 HB2 TRP 6 -5.818 -5.747 -1.958
47 HB3 TRP 6 HB3 TRP 6 -4.192 -5.064 -1.864
48 HD1 TRP 6 HD1 TRP 6 -6.714 -6.214 -4.479
49 HE1 TRP 6 HE1 TRP 6 -6.113 -5.140 -6.737
50 HE3 TRP 6 HE3 TRP 6 -2.158 -4.230 -3.244
51 HZ2 TRP 6 HZ2 TRP 6 -3.870 -3.747 -7.900
52 HZ3 TRP 6 HZ3 TRP 6 -0.806 -3.038 -4.956
53 HH2 TRP 6 HH2 TRP 6 -1.638 -2.806 -7.282
54 H GLU 7 H GLU 7 -1.930 -6.851 -0.994
55 HA GLU 7 HA GLU 7 -2.818 -6.772 1.821
56 HB2 GLU 7 HB2 GLU 7 -1.281 -8.991 0.548
57 HB3 GLU 7 HB3 GLU 7 -0.519 -8.343 1.980
58 HG2 GLU 7 HG2 GLU 7 -3.366 -9.396 1.854
59 HG3 GLU 7 HG3 GLU 7 -1.963 -10.265 2.466
60 H LYS 8 H LYS 8 -1.004 -6.165 3.291
61 HA LYS 8 HA LYS 8 0.546 -3.914 2.250
62 HB2 LYS 8 HB2 LYS 8 0.336 -5.243 4.957
63 HB3 LYS 8 HB3 LYS 8 1.661 -4.123 4.605
64 HG2 LYS 8 HG2 LYS 8 0.069 -2.366 3.945
65 HG3 LYS 8 HG3 LYS 8 -1.283 -3.463 4.250
66 HD2 LYS 8 HD2 LYS 8 -1.085 -1.979 6.129
67 HD3 LYS 8 HD3 LYS 8 -0.569 -3.585 6.665
68 HE2 LYS 8 HE2 LYS 8 1.816 -2.901 6.381
69 HE3 LYS 8 HE3 LYS 8 1.293 -1.312 5.810
70 HZ1 LYS 8 HZ1 LYS 8 1.860 -1.270 8.169
71 HZ2 LYS 8 HZ2 LYS 8 0.270 -0.942 7.992
72 HZ3 LYS 8 HZ3 LYS 8 0.750 -2.415 8.516
73 H ARG 9 H ARG 9 2.633 -3.625 1.975
74 HA ARG 9 HA ARG 9 4.570 -5.880 2.002
75 HB2 ARG 9 HB2 ARG 9 3.183 -5.379 -0.284
76 HB3 ARG 9 HB3 ARG 9 4.367 -4.102 -0.436
77 HG2 ARG 9 HG2 ARG 9 5.100 -6.012 -1.677
78 HG3 ARG 9 HG3 ARG 9 6.189 -5.865 -0.282
79 HD2 ARG 9 HD2 ARG 9 5.079 -7.703 0.851
80 HD3 ARG 9 HD3 ARG 9 3.747 -7.687 -0.332
81 HE ARG 9 HE ARG 9 6.319 -8.157 -1.589
82 HH11 ARG 9 HH11 ARG 9 6.702 -10.119 -2.550
83 HH12 ARG 9 HH12 ARG 9 5.746 -11.507 -2.110
84 HH21 ARG 9 HH21 ARG 9 3.791 -9.843 0.162
85 HH22 ARG 9 HH22 ARG 9 4.140 -11.361 -0.625
86 H MET 10 H MET 10 6.851 -5.055 1.674
87 HA MET 10 HA MET 10 7.247 -2.181 2.134
88 HB2 MET 10 HB2 MET 10 6.671 -3.173 4.394
89 HB3 MET 10 HB3 MET 10 8.137 -4.166 4.261
90 HG2 MET 10 HG2 MET 10 9.470 -2.023 4.073
91 HG3 MET 10 HG3 MET 10 7.967 -1.129 4.280
92 HE1 MET 10 HE1 MET 10 10.842 -3.112 5.890
93 HE2 MET 10 HE2 MET 10 10.257 -3.486 7.526
94 HE3 MET 10 HE3 MET 10 9.563 -4.326 6.125
95 H PHE 11 H PHE 11 9.133 -1.441 1.504
96 HA PHE 11 HA PHE 11 11.095 -3.105 0.178
97 HB2 PHE 11 HB2 PHE 11 10.884 -0.144 0.722
98 HB3 PHE 11 HB3 PHE 11 12.271 -0.867 -0.096
99 HD1 PHE 11 HD1 PHE 11 11.759 -2.415 -2.161
100 HD2 PHE 11 HD2 PHE 11 9.066 0.603 -0.637
101 HE1 PHE 11 HE1 PHE 11 10.624 -2.301 -4.368
102 HE2 PHE 11 HE2 PHE 11 7.958 0.722 -2.846
103 HZ PHE 11 HZ PHE 11 8.728 -0.727 -4.715
104 H ALA 12 H ALA 12 13.404 -3.115 0.553
105 HA ALA 12 HA ALA 12 14.118 -3.889 3.187
106 HB1 ALA 12 HB1 ALA 12 15.877 -3.033 0.843
107 HB2 ALA 12 HB2 ALA 12 16.402 -3.977 2.254
108 HB3 ALA 12 HB3 ALA 12 15.224 -4.667 1.122
109 H ASN 13 H ASN 13 14.094 -0.697 1.778
110 HA ASN 13 HA ASN 13 15.770 0.550 3.840
111 HB2 ASN 13 HB2 ASN 13 15.222 2.640 2.649
112 HB3 ASN 13 HB3 ASN 13 15.837 1.382 1.566
113 HD21 ASN 13 HD21 ASN 13 14.912 2.571 -0.188
114 H GLY 14 H GLY 14 12.640 -0.624 4.016
115 HA2 GLY 14 HA2 GLY 14 11.194 -0.422 5.827
116 HA3 GLY 14 HA3 GLY 14 11.984 1.077 6.342
117 H THR 15 H THR 15 10.960 0.886 2.988
118 HA THR 15 HA THR 15 8.793 2.863 3.501
119 HB THR 15 HB THR 15 9.950 1.910 0.867
120 HG1 THR 15 HG1 THR 15 11.469 2.949 1.947
121 HG21 THR 15 HG21 THR 15 7.803 2.789 0.399
122 HG22 THR 15 HG22 THR 15 8.002 4.135 1.559
123 HG23 THR 15 HG23 THR 15 8.937 4.098 0.052
124 H VAL 16 H VAL 16 6.684 2.348 3.475
125 HA VAL 16 HA VAL 16 5.900 -0.452 2.894
126 HB VAL 16 HB VAL 16 4.499 1.839 4.315
127 HG11 VAL 16 HG11 VAL 16 2.740 0.442 3.322
128 HG12 VAL 16 HG12 VAL 16 3.520 -1.027 3.958
129 HG13 VAL 16 HG13 VAL 16 2.821 0.179 5.061
130 HG21 VAL 16 HG21 VAL 16 6.373 0.808 5.579
131 HG22 VAL 16 HG22 VAL 16 4.811 0.431 6.319
132 HG23 VAL 16 HG23 VAL 16 5.641 -0.795 5.345
133 H TYR 17 H TYR 17 4.384 -1.063 1.485
134 HA TYR 17 HA TYR 17 2.759 0.784 -0.093
135 HB2 TYR 17 HB2 TYR 17 3.517 0.015 -2.255
136 HB3 TYR 17 HB3 TYR 17 4.846 0.733 -1.404
137 HD1 TYR 17 HD1 TYR 17 6.602 -0.829 -0.295
138 HD2 TYR 17 HD2 TYR 17 3.707 -2.145 -3.221
139 HE1 TYR 17 HE1 TYR 17 8.053 -2.761 -0.879
140 HE2 TYR 17 HE2 TYR 17 5.151 -4.093 -3.769
141 HH TYR 17 HH TYR 17 8.359 -4.541 -2.263
142 H TYR 18 H TYR 18 1.723 -1.016 -1.909
143 HA TYR 18 HA TYR 18 0.751 -3.322 -0.280
144 HB2 TYR 18 HB2 TYR 18 -0.944 -1.506 -2.026
145 HB3 TYR 18 HB3 TYR 18 -1.499 -2.872 -1.048
146 HD1 TYR 18 HD1 TYR 18 -0.338 0.630 -0.998
147 HD2 TYR 18 HD2 TYR 18 -1.694 -2.667 1.441
148 HE1 TYR 18 HE1 TYR 18 -0.631 2.171 0.935
149 HE2 TYR 18 HE2 TYR 18 -2.071 -1.112 3.332
150 HH TYR 18 HH TYR 18 -1.881 1.029 4.090
151 H PHE 19 H PHE 19 0.191 -5.138 -1.417
152 HA PHE 19 HA PHE 19 1.052 -5.398 -4.269
153 HB2 PHE 19 HB2 PHE 19 3.016 -5.720 -2.913
154 HB3 PHE 19 HB3 PHE 19 2.156 -6.871 -1.872
155 HD1 PHE 19 HD1 PHE 19 3.218 -6.272 -5.381
156 HD2 PHE 19 HD2 PHE 19 2.142 -9.231 -2.433
157 HE1 PHE 19 HE1 PHE 19 3.835 -8.044 -6.958
158 HE2 PHE 19 HE2 PHE 19 2.838 -11.027 -3.998
159 HZ PHE 19 HZ PHE 19 3.684 -10.455 -6.267
160 H ASN 20 H ASN 20 -0.085 -6.842 -5.451
161 HA ASN 20 HA ASN 20 -2.206 -8.393 -4.079
162 HB2 ASN 20 HB2 ASN 20 -2.721 -6.875 -6.022
163 HB3 ASN 20 HB3 ASN 20 -1.828 -8.004 -7.057
164 HD21 ASN 20 HD21 ASN 20 -5.635 -8.825 -6.173
165 HD22 ASN 20 HD22 ASN 20 -4.887 -7.236 -6.045
166 H HIS 21 H HIS 21 -1.776 -10.430 -3.496
167 HA HIS 21 HA HIS 21 0.592 -11.800 -4.456
168 HB2 HIS 21 HB2 HIS 21 0.242 -13.293 -2.762
169 HB3 HIS 21 HB3 HIS 21 -0.524 -11.845 -2.109
170 HD2 HIS 21 HD2 HIS 21 -3.109 -12.034 -1.493
171 HE1 HIS 21 HE1 HIS 21 -3.722 -16.079 -2.683
172 HE2 HIS 21 HE2 HIS 21 -4.740 -14.099 -1.449
173 H ILE 22 H ILE 22 -2.690 -11.806 -5.572
174 HA ILE 22 HA ILE 22 -2.570 -14.436 -6.882
175 HB ILE 22 HB ILE 22 -4.674 -12.230 -7.006
176 HG12 ILE 22 HG12 ILE 22 -4.532 -14.668 -5.167
177 HG13 ILE 22 HG13 ILE 22 -4.324 -12.979 -4.668
178 HG21 ILE 22 HG21 ILE 22 -4.835 -13.854 -8.860
179 HG22 ILE 22 HG22 ILE 22 -4.859 -15.193 -7.690
180 HG23 ILE 22 HG23 ILE 22 -6.192 -14.016 -7.763
181 HD11 ILE 22 HD11 ILE 22 -6.891 -14.276 -5.602
182 HD12 ILE 22 HD12 ILE 22 -6.492 -13.590 -4.018
183 HD13 ILE 22 HD13 ILE 22 -6.678 -12.515 -5.419
184 H THR 23 H THR 23 -2.523 -11.002 -7.767
185 HA THR 23 HA THR 23 -2.121 -11.664 -10.632
186 HB THR 23 HB THR 23 -3.130 -9.643 -11.210
187 HG1 THR 23 HG1 THR 23 -3.849 -8.357 -9.248
188 HG21 THR 23 HG21 THR 23 -4.748 -11.366 -10.317
189 HG22 THR 23 HG22 THR 23 -4.730 -10.509 -8.759
190 HG23 THR 23 HG23 THR 23 -5.318 -9.693 -10.222
191 H ASN 24 H ASN 24 -0.190 -10.659 -8.121
192 HA ASN 24 HA ASN 24 1.826 -9.782 -7.890
193 HB2 ASN 24 HB2 ASN 24 2.229 -10.381 -10.837
194 HB3 ASN 24 HB3 ASN 24 3.503 -10.024 -9.662
195 HD21 ASN 24 HD21 ASN 24 1.996 -12.559 -11.196
196 HD22 ASN 24 HD22 ASN 24 2.378 -13.808 -10.006
197 H ALA 25 H ALA 25 -0.465 -7.978 -8.911
198 HA ALA 25 HA ALA 25 0.854 -5.632 -9.976
199 HB1 ALA 25 HB1 ALA 25 -1.280 -4.536 -9.442
200 HB2 ALA 25 HB2 ALA 25 -1.567 -6.095 -10.241
201 HB3 ALA 25 HB3 ALA 25 -1.789 -5.942 -8.484
202 H SER 26 H SER 26 1.337 -3.664 -8.871
203 HA SER 26 HA SER 26 1.515 -3.707 -5.911
204 HB2 SER 26 HB2 SER 26 3.810 -2.790 -5.979
205 HB3 SER 26 HB3 SER 26 3.700 -4.458 -6.534
206 HG SER 26 HG SER 26 3.817 -2.158 -8.217
207 H GLN 27 H GLN 27 1.351 -1.715 -4.908
208 HA GLN 27 HA GLN 27 1.321 0.781 -6.449
209 HB2 GLN 27 HB2 GLN 27 -0.898 -0.140 -6.937
210 HB3 GLN 27 HB3 GLN 27 -1.200 -0.390 -5.217
211 HG2 GLN 27 HG2 GLN 27 -2.410 1.547 -6.088
212 HG3 GLN 27 HG3 GLN 27 -1.280 1.997 -4.822
213 HE21 GLN 27 HE21 GLN 27 -1.484 1.835 -8.444
214 HE22 GLN 27 HE22 GLN 27 -0.411 3.220 -8.674
215 H PHE 28 H PHE 28 1.556 2.579 -5.178
216 HA PHE 28 HA PHE 28 2.378 2.098 -2.392
217 HB2 PHE 28 HB2 PHE 28 3.995 3.254 -3.544
218 HB3 PHE 28 HB3 PHE 28 2.829 4.355 -4.287
219 HD1 PHE 28 HD1 PHE 28 4.647 3.567 -1.152
220 HD2 PHE 28 HD2 PHE 28 2.039 6.356 -3.163
221 HE1 PHE 28 HE1 PHE 28 5.069 5.244 0.629
222 HE2 PHE 28 HE2 PHE 28 2.459 8.031 -1.376
223 HZ PHE 28 HZ PHE 28 3.975 7.479 0.521
224 H GLU 29 H GLU 29 -0.200 3.844 -4.000
225 HA GLU 29 HA GLU 29 -1.381 4.860 -1.547
226 HB2 GLU 29 HB2 GLU 29 -1.829 6.030 -3.570
227 HB3 GLU 29 HB3 GLU 29 -2.286 4.560 -4.415
228 HG2 GLU 29 HG2 GLU 29 -4.206 5.925 -4.059
229 HG3 GLU 29 HG3 GLU 29 -4.379 4.411 -3.192
230 H ARG 30 H ARG 30 -3.158 4.099 -0.420
231 HA ARG 30 HA ARG 30 -3.321 1.268 -0.030
232 HB2 ARG 30 HB2 ARG 30 -3.561 2.820 1.753
233 HB3 ARG 30 HB3 ARG 30 -4.956 3.594 1.027
234 HG2 ARG 30 HG2 ARG 30 -5.106 0.635 1.640
235 HG3 ARG 30 HG3 ARG 30 -5.133 1.777 2.991
236 HD2 ARG 30 HD2 ARG 30 -7.260 2.372 2.638
237 HD3 ARG 30 HD3 ARG 30 -6.974 2.698 0.937
238 HE ARG 30 HE ARG 30 -7.586 0.521 0.332
239 HH11 ARG 30 HH11 ARG 30 -7.903 0.760 3.839
240 HH12 ARG 30 HH12 ARG 30 -8.948 -0.645 3.867
241 HH21 ARG 30 HH21 ARG 30 -8.823 -1.157 0.484
242 HH22 ARG 30 HH22 ARG 30 -9.432 -1.717 2.051
243 HA PRO 31 HA PRO 31 -5.964 0.638 -3.551
244 HB2 PRO 31 HB2 PRO 31 -6.154 -2.093 -3.587
245 HB3 PRO 31 HB3 PRO 31 -4.651 -1.212 -3.987
246 HG2 PRO 31 HG2 PRO 31 -5.438 -2.441 -1.331
247 HG3 PRO 31 HG3 PRO 31 -3.888 -2.623 -2.215
248 HD2 PRO 31 HD2 PRO 31 -4.167 -0.827 -0.198
249 HD3 PRO 31 HD3 PRO 31 -3.194 -0.448 -1.651
250 H SER 32 H SER 32 -8.102 0.252 -4.136
251 HA SER 32 HA SER 32 -10.020 -0.977 -2.301
252 HB2 SER 32 HB2 SER 32 -11.456 0.994 -2.083
253 HB3 SER 32 HB3 SER 32 -9.885 1.258 -1.322
254 HG SER 32 HG SER 32 -9.263 2.507 -3.058
255 H GLY 33 H GLY 33 -12.214 -1.060 -3.197
256 HA2 GLY 33 HA2 GLY 33 -12.834 -0.445 -5.946
257 HA3 GLY 33 HA3 GLY 33 -12.346 -2.133 -5.784
258 H1' ALL 101 H1 ALL 34 11.990 2.068 -0.505
259 H2' ALL 101 H2 ALL 34 13.714 4.263 -1.782
260 H3' ALL 101 H3 ALL 34 11.657 4.964 -2.938
261 H4' ALL 101 H4 ALL 34 13.089 3.391 -4.125
262 H5' ALL 101 H5 ALL 34 11.488 1.146 -2.815
263 H6'1 ALL 101 H62 ALL 34 12.430 0.641 -5.135
264 H6'2 ALL 101 H61 ALL 34 13.023 -0.404 -3.828
265 HO'2 ALL 101 H2O ALL 34 11.581 4.416 0.133
266 HO'3 ALL 101 H3O ALL 34 9.884 3.381 -2.850
267 HO'4 ALL 101 H4O ALL 34 11.490 2.653 -5.517
268 HO'6 ALL 101 H6O ALL 34 14.822 1.083 -3.636
Start of MODEL 20
1 H1 LYS 1 H1 LYS 1 -11.082 -7.189 5.739
2 H2 LYS 1 H2 LYS 1 -10.433 -8.113 4.552
3 H3 LYS 1 H3 LYS 1 -11.250 -6.745 4.174
4 HA LYS 1 HA LYS 1 -9.596 -5.370 5.237
5 HB2 LYS 1 HB2 LYS 1 -9.032 -7.209 6.894
6 HB3 LYS 1 HB3 LYS 1 -8.024 -7.954 5.671
7 HG2 LYS 1 HG2 LYS 1 -7.689 -5.143 6.820
8 HG3 LYS 1 HG3 LYS 1 -6.830 -6.565 7.380
9 HD2 LYS 1 HD2 LYS 1 -6.520 -5.219 4.675
10 HD3 LYS 1 HD3 LYS 1 -5.388 -5.176 6.002
11 HE2 LYS 1 HE2 LYS 1 -6.150 -7.713 4.473
12 HE3 LYS 1 HE3 LYS 1 -4.730 -6.718 4.157
13 HZ1 LYS 1 HZ1 LYS 1 -5.234 -8.226 6.654
14 HZ2 LYS 1 HZ2 LYS 1 -4.053 -8.477 5.525
15 HZ3 LYS 1 HZ3 LYS 1 -4.005 -7.150 6.447
16 H LEU 2 H LEU 2 -9.092 -4.358 3.424
17 HA LEU 2 HA LEU 2 -8.487 -3.803 1.362
18 HB2 LEU 2 HB2 LEU 2 -6.471 -6.013 1.826
19 HB3 LEU 2 HB3 LEU 2 -6.518 -5.151 0.299
20 HG LEU 2 HG LEU 2 -6.247 -3.673 2.935
21 HD11 LEU 2 HD11 LEU 2 -4.369 -5.275 2.690
22 HD12 LEU 2 HD12 LEU 2 -4.032 -4.627 1.071
23 HD13 LEU 2 HD13 LEU 2 -3.834 -3.601 2.511
24 HD21 LEU 2 HD21 LEU 2 -6.903 -2.279 0.993
25 HD22 LEU 2 HD22 LEU 2 -5.238 -1.944 1.482
26 HD23 LEU 2 HD23 LEU 2 -5.548 -2.956 0.055
27 HA PRO 3 HA PRO 3 -10.799 -6.035 -1.671
28 HB2 PRO 3 HB2 PRO 3 -8.974 -5.295 -3.890
29 HB3 PRO 3 HB3 PRO 3 -10.678 -4.833 -3.623
30 HG2 PRO 3 HG2 PRO 3 -8.589 -3.080 -3.318
31 HG3 PRO 3 HG3 PRO 3 -10.086 -2.992 -2.321
32 HD2 PRO 3 HD2 PRO 3 -7.415 -4.203 -1.613
33 HD3 PRO 3 HD3 PRO 3 -8.487 -3.152 -0.635
34 HA PRO 4 HA PRO 4 -9.401 -10.048 -2.520
35 HB2 PRO 4 HB2 PRO 4 -9.833 -9.694 -5.495
36 HB3 PRO 4 HB3 PRO 4 -10.312 -11.063 -4.440
37 HG2 PRO 4 HG2 PRO 4 -12.138 -9.187 -5.094
38 HG3 PRO 4 HG3 PRO 4 -12.021 -9.738 -3.388
39 HD2 PRO 4 HD2 PRO 4 -10.875 -7.230 -4.642
40 HD3 PRO 4 HD3 PRO 4 -11.743 -7.426 -3.087
41 H GLY 5 H GLY 5 -7.436 -10.776 -2.296
42 HA2 GLY 5 HA2 GLY 5 -5.316 -11.514 -2.828
43 HA3 GLY 5 HA3 GLY 5 -5.386 -10.639 -4.367
44 H TRP 6 H TRP 6 -6.056 -8.099 -2.529
45 HA TRP 6 HA TRP 6 -3.295 -7.192 -2.483
46 HB2 TRP 6 HB2 TRP 6 -5.872 -5.871 -1.679
47 HB3 TRP 6 HB3 TRP 6 -4.290 -5.089 -1.556
48 HD1 TRP 6 HD1 TRP 6 -6.941 -6.116 -4.029
49 HE1 TRP 6 HE1 TRP 6 -6.462 -5.143 -6.355
50 HE3 TRP 6 HE3 TRP 6 -2.201 -4.366 -3.201
51 HZ2 TRP 6 HZ2 TRP 6 -4.222 -4.012 -7.744
52 HZ3 TRP 6 HZ3 TRP 6 -0.897 -3.355 -5.091
53 HH2 TRP 6 HH2 TRP 6 -1.891 -3.188 -7.344
54 H GLU 7 H GLU 7 -1.917 -6.840 -0.868
55 HA GLU 7 HA GLU 7 -2.744 -6.823 1.957
56 HB2 GLU 7 HB2 GLU 7 -2.329 -9.217 1.378
57 HB3 GLU 7 HB3 GLU 7 -0.709 -8.800 0.833
58 HG2 GLU 7 HG2 GLU 7 -0.724 -9.850 3.055
59 HG3 GLU 7 HG3 GLU 7 -0.035 -8.238 3.105
60 H LYS 8 H LYS 8 -1.043 -5.954 3.367
61 HA LYS 8 HA LYS 8 0.594 -3.896 2.107
62 HB2 LYS 8 HB2 LYS 8 0.277 -4.844 4.962
63 HB3 LYS 8 HB3 LYS 8 1.570 -3.723 4.501
64 HG2 LYS 8 HG2 LYS 8 -0.055 -2.146 3.551
65 HG3 LYS 8 HG3 LYS 8 -1.375 -3.261 3.916
66 HD2 LYS 8 HD2 LYS 8 -1.382 -1.562 5.601
67 HD3 LYS 8 HD3 LYS 8 -0.800 -3.047 6.368
68 HE2 LYS 8 HE2 LYS 8 1.559 -2.226 6.097
69 HE3 LYS 8 HE3 LYS 8 0.941 -0.758 5.331
70 HZ1 LYS 8 HZ1 LYS 8 0.350 -1.598 8.119
71 HZ2 LYS 8 HZ2 LYS 8 1.386 -0.413 7.694
72 HZ3 LYS 8 HZ3 LYS 8 -0.212 -0.236 7.411
73 H ARG 9 H ARG 9 2.689 -3.650 1.931
74 HA ARG 9 HA ARG 9 4.595 -5.910 2.263
75 HB2 ARG 9 HB2 ARG 9 3.344 -5.923 -0.019
76 HB3 ARG 9 HB3 ARG 9 4.187 -4.426 -0.372
77 HG2 ARG 9 HG2 ARG 9 5.321 -6.219 -1.452
78 HG3 ARG 9 HG3 ARG 9 6.375 -5.684 -0.130
79 HD2 ARG 9 HD2 ARG 9 5.579 -7.599 1.247
80 HD3 ARG 9 HD3 ARG 9 4.520 -8.116 -0.078
81 HE ARG 9 HE ARG 9 7.423 -8.460 0.158
82 HH11 ARG 9 HH11 ARG 9 4.807 -8.476 -2.190
83 HH12 ARG 9 HH12 ARG 9 5.729 -9.411 -3.329
84 HH21 ARG 9 HH21 ARG 9 8.523 -9.647 -1.346
85 HH22 ARG 9 HH22 ARG 9 7.768 -10.051 -2.863
86 H MET 10 H MET 10 6.902 -5.138 1.893
87 HA MET 10 HA MET 10 7.300 -2.253 1.982
88 HB2 MET 10 HB2 MET 10 8.397 -2.173 4.168
89 HB3 MET 10 HB3 MET 10 6.685 -2.609 4.286
90 HG2 MET 10 HG2 MET 10 7.326 -5.002 4.563
91 HG3 MET 10 HG3 MET 10 9.026 -4.544 4.452
92 HE1 MET 10 HE1 MET 10 6.210 -3.654 8.025
93 HE2 MET 10 HE2 MET 10 5.947 -2.867 6.457
94 HE3 MET 10 HE3 MET 10 5.792 -4.634 6.604
95 H PHE 11 H PHE 11 9.217 -1.531 1.503
96 HA PHE 11 HA PHE 11 11.191 -3.282 0.301
97 HB2 PHE 11 HB2 PHE 11 10.990 -0.286 0.653
98 HB3 PHE 11 HB3 PHE 11 12.353 -1.078 -0.145
99 HD1 PHE 11 HD1 PHE 11 9.151 0.389 -0.704
100 HD2 PHE 11 HD2 PHE 11 11.765 -2.763 -2.089
101 HE1 PHE 11 HE1 PHE 11 7.966 0.347 -2.877
102 HE2 PHE 11 HE2 PHE 11 10.570 -2.789 -4.266
103 HZ PHE 11 HZ PHE 11 8.673 -1.227 -4.664
104 H ALA 12 H ALA 12 13.497 -3.222 0.701
105 HA ALA 12 HA ALA 12 14.195 -3.802 3.390
106 HB1 ALA 12 HB1 ALA 12 15.324 -4.719 1.395
107 HB2 ALA 12 HB2 ALA 12 15.961 -3.104 1.000
108 HB3 ALA 12 HB3 ALA 12 16.486 -3.935 2.480
109 H ASN 13 H ASN 13 14.146 -0.715 1.754
110 HA ASN 13 HA ASN 13 15.796 0.681 3.739
111 HB2 ASN 13 HB2 ASN 13 15.240 2.691 2.427
112 HB3 ASN 13 HB3 ASN 13 15.877 1.376 1.428
113 HD21 ASN 13 HD21 ASN 13 14.989 2.410 -0.408
114 H GLY 14 H GLY 14 12.730 -0.555 4.040
115 HA2 GLY 14 HA2 GLY 14 11.311 -0.288 5.860
116 HA3 GLY 14 HA3 GLY 14 12.073 1.259 6.271
117 H THR 15 H THR 15 10.996 0.877 2.967
118 HA THR 15 HA THR 15 8.814 2.855 3.400
119 HB THR 15 HB THR 15 10.027 1.767 0.839
120 HG1 THR 15 HG1 THR 15 11.506 2.924 1.742
121 HG21 THR 15 HG21 THR 15 8.063 4.042 1.297
122 HG22 THR 15 HG22 THR 15 8.984 3.783 -0.204
123 HG23 THR 15 HG23 THR 15 7.821 2.565 0.325
124 H VAL 16 H VAL 16 6.706 2.340 3.367
125 HA VAL 16 HA VAL 16 5.895 -0.474 2.883
126 HB VAL 16 HB VAL 16 4.481 1.885 4.177
127 HG11 VAL 16 HG11 VAL 16 2.788 0.261 4.955
128 HG12 VAL 16 HG12 VAL 16 2.743 0.451 3.207
129 HG13 VAL 16 HG13 VAL 16 3.506 -0.993 3.916
130 HG21 VAL 16 HG21 VAL 16 4.719 0.560 6.249
131 HG22 VAL 16 HG22 VAL 16 5.590 -0.699 5.354
132 HG23 VAL 16 HG23 VAL 16 6.305 0.918 5.548
133 H TYR 17 H TYR 17 4.377 -1.108 1.460
134 HA TYR 17 HA TYR 17 2.827 0.735 -0.204
135 HB2 TYR 17 HB2 TYR 17 3.655 -0.055 -2.315
136 HB3 TYR 17 HB3 TYR 17 4.993 0.580 -1.414
137 HD1 TYR 17 HD1 TYR 17 6.622 -1.072 -0.264
138 HD2 TYR 17 HD2 TYR 17 3.729 -2.235 -3.248
139 HE1 TYR 17 HE1 TYR 17 8.004 -3.064 -0.844
140 HE2 TYR 17 HE2 TYR 17 5.100 -4.230 -3.805
141 HH TYR 17 HH TYR 17 7.095 -5.298 -3.471
142 H TYR 18 H TYR 18 1.721 -0.972 -1.953
143 HA TYR 18 HA TYR 18 0.625 -3.243 -0.343
144 HB2 TYR 18 HB2 TYR 18 -0.854 -1.397 -2.247
145 HB3 TYR 18 HB3 TYR 18 -1.535 -2.778 -1.372
146 HD1 TYR 18 HD1 TYR 18 -2.082 -2.633 1.008
147 HD2 TYR 18 HD2 TYR 18 -0.217 0.668 -1.049
148 HE1 TYR 18 HE1 TYR 18 -2.573 -1.134 2.946
149 HE2 TYR 18 HE2 TYR 18 -0.647 2.141 0.896
150 HH TYR 18 HH TYR 18 -1.530 2.284 3.000
151 H PHE 19 H PHE 19 0.269 -5.145 -1.358
152 HA PHE 19 HA PHE 19 1.114 -5.458 -4.209
153 HB2 PHE 19 HB2 PHE 19 3.052 -5.836 -2.808
154 HB3 PHE 19 HB3 PHE 19 2.137 -6.970 -1.795
155 HD1 PHE 19 HD1 PHE 19 3.287 -6.367 -5.277
156 HD2 PHE 19 HD2 PHE 19 2.023 -9.323 -2.402
157 HE1 PHE 19 HE1 PHE 19 3.848 -8.140 -6.877
158 HE2 PHE 19 HE2 PHE 19 2.669 -11.122 -3.985
159 HZ PHE 19 HZ PHE 19 3.574 -10.550 -6.231
160 H ASN 20 H ASN 20 -0.018 -6.895 -5.397
161 HA ASN 20 HA ASN 20 -2.217 -8.367 -4.047
162 HB2 ASN 20 HB2 ASN 20 -2.659 -6.785 -5.964
163 HB3 ASN 20 HB3 ASN 20 -1.825 -7.938 -7.019
164 HD21 ASN 20 HD21 ASN 20 -4.830 -7.021 -6.121
165 HD22 ASN 20 HD22 ASN 20 -5.667 -8.563 -6.159
166 H HIS 21 H HIS 21 -1.823 -10.429 -3.491
167 HA HIS 21 HA HIS 21 0.474 -11.864 -4.526
168 HB2 HIS 21 HB2 HIS 21 0.113 -13.368 -2.854
169 HB3 HIS 21 HB3 HIS 21 -0.622 -11.924 -2.159
170 HD2 HIS 21 HD2 HIS 21 -3.190 -12.101 -1.494
171 HE1 HIS 21 HE1 HIS 21 -3.893 -16.094 -2.807
172 HE2 HIS 21 HE2 HIS 21 -4.852 -14.141 -1.484
173 H ILE 22 H ILE 22 -2.839 -11.742 -5.563
174 HA ILE 22 HA ILE 22 -2.820 -14.336 -6.949
175 HB ILE 22 HB ILE 22 -4.848 -12.057 -6.938
176 HG12 ILE 22 HG12 ILE 22 -4.770 -14.627 -5.278
177 HG13 ILE 22 HG13 ILE 22 -4.474 -12.991 -4.664
178 HG21 ILE 22 HG21 ILE 22 -5.148 -14.956 -7.824
179 HG22 ILE 22 HG22 ILE 22 -6.446 -13.740 -7.776
180 HG23 ILE 22 HG23 ILE 22 -5.111 -13.535 -8.893
181 HD11 ILE 22 HD11 ILE 22 -6.824 -12.374 -5.338
182 HD12 ILE 22 HD12 ILE 22 -7.115 -14.110 -5.617
183 HD13 ILE 22 HD13 ILE 22 -6.652 -13.533 -4.005
184 H THR 23 H THR 23 -2.675 -10.886 -7.742
185 HA THR 23 HA THR 23 -2.342 -11.484 -10.626
186 HB THR 23 HB THR 23 -3.289 -9.439 -11.152
187 HG1 THR 23 HG1 THR 23 -3.873 -8.166 -9.094
188 HG21 THR 23 HG21 THR 23 -5.435 -9.358 -10.077
189 HG22 THR 23 HG22 THR 23 -4.966 -11.063 -10.186
190 HG23 THR 23 HG23 THR 23 -4.838 -10.201 -8.634
191 H ASN 24 H ASN 24 -0.327 -10.628 -8.127
192 HA ASN 24 HA ASN 24 1.730 -9.852 -7.903
193 HB2 ASN 24 HB2 ASN 24 2.061 -10.440 -10.862
194 HB3 ASN 24 HB3 ASN 24 3.371 -10.124 -9.716
195 HD21 ASN 24 HD21 ASN 24 1.724 -12.611 -11.199
196 HD22 ASN 24 HD22 ASN 24 2.104 -13.868 -10.017
197 H ALA 25 H ALA 25 -0.488 -7.928 -8.902
198 HA ALA 25 HA ALA 25 0.947 -5.635 -9.928
199 HB1 ALA 25 HB1 ALA 25 -1.732 -5.848 -8.490
200 HB2 ALA 25 HB2 ALA 25 -1.147 -4.451 -9.419
201 HB3 ALA 25 HB3 ALA 25 -1.480 -5.985 -10.245
202 H SER 26 H SER 26 1.439 -3.676 -8.807
203 HA SER 26 HA SER 26 1.618 -3.737 -5.851
204 HB2 SER 26 HB2 SER 26 3.957 -2.959 -5.902
205 HB3 SER 26 HB3 SER 26 3.762 -4.607 -6.506
206 HG SER 26 HG SER 26 3.940 -2.292 -8.157
207 H GLN 27 H GLN 27 1.373 -1.711 -4.882
208 HA GLN 27 HA GLN 27 1.650 0.748 -6.462
209 HB2 GLN 27 HB2 GLN 27 -0.599 1.437 -6.430
210 HB3 GLN 27 HB3 GLN 27 -0.610 -0.213 -7.062
211 HG2 GLN 27 HG2 GLN 27 -1.442 -1.075 -4.934
212 HG3 GLN 27 HG3 GLN 27 -1.305 0.513 -4.197
213 HE21 GLN 27 HE21 GLN 27 -3.263 1.446 -3.980
214 HE22 GLN 27 HE22 GLN 27 -4.527 1.436 -5.223
215 H PHE 28 H PHE 28 1.494 2.708 -5.202
216 HA PHE 28 HA PHE 28 2.369 2.261 -2.437
217 HB2 PHE 28 HB2 PHE 28 2.523 4.640 -4.269
218 HB3 PHE 28 HB3 PHE 28 2.901 4.734 -2.546
219 HD1 PHE 28 HD1 PHE 28 4.082 3.564 -5.805
220 HD2 PHE 28 HD2 PHE 28 4.807 3.459 -1.550
221 HE1 PHE 28 HE1 PHE 28 6.408 2.795 -6.219
222 HE2 PHE 28 HE2 PHE 28 7.133 2.697 -1.974
223 HZ PHE 28 HZ PHE 28 7.938 2.373 -4.303
224 H GLU 29 H GLU 29 -0.371 3.942 -3.915
225 HA GLU 29 HA GLU 29 -1.405 4.859 -1.334
226 HB2 GLU 29 HB2 GLU 29 -3.192 5.770 -2.554
227 HB3 GLU 29 HB3 GLU 29 -1.735 6.142 -3.443
228 HG2 GLU 29 HG2 GLU 29 -3.701 3.915 -4.170
229 HG3 GLU 29 HG3 GLU 29 -3.776 5.550 -4.786
230 H ARG 30 H ARG 30 -3.463 4.133 -0.404
231 HA ARG 30 HA ARG 30 -3.515 1.307 -0.131
232 HB2 ARG 30 HB2 ARG 30 -4.263 3.088 1.551
233 HB3 ARG 30 HB3 ARG 30 -5.786 3.137 0.666
234 HG2 ARG 30 HG2 ARG 30 -5.427 0.390 1.066
235 HG3 ARG 30 HG3 ARG 30 -4.659 1.079 2.504
236 HD2 ARG 30 HD2 ARG 30 -6.910 0.661 3.098
237 HD3 ARG 30 HD3 ARG 30 -6.802 2.414 2.857
238 HE ARG 30 HE ARG 30 -7.630 0.776 0.516
239 HH11 ARG 30 HH11 ARG 30 -9.494 1.078 -0.403
240 HH12 ARG 30 HH12 ARG 30 -10.760 2.046 0.339
241 HH21 ARG 30 HH21 ARG 30 -10.397 2.999 2.316
242 HH22 ARG 30 HH22 ARG 30 -8.872 2.774 3.135
243 HA PRO 31 HA PRO 31 -5.989 0.223 -3.754
244 HB2 PRO 31 HB2 PRO 31 -6.319 -2.316 -2.166
245 HB3 PRO 31 HB3 PRO 31 -5.962 -2.125 -3.911
246 HG2 PRO 31 HG2 PRO 31 -3.985 -2.718 -2.154
247 HG3 PRO 31 HG3 PRO 31 -3.704 -1.498 -3.441
248 HD2 PRO 31 HD2 PRO 31 -4.330 -1.058 -0.519
249 HD3 PRO 31 HD3 PRO 31 -3.187 -0.204 -1.586
250 H SER 32 H SER 32 -8.161 -0.325 -4.350
251 HA SER 32 HA SER 32 -10.266 -0.449 -2.294
252 HB2 SER 32 HB2 SER 32 -9.774 1.998 -2.650
253 HB3 SER 32 HB3 SER 32 -10.233 1.793 -4.351
254 HG SER 32 HG SER 32 -11.985 2.506 -3.072
255 H GLY 33 H GLY 33 -12.332 -1.024 -3.157
256 HA2 GLY 33 HA2 GLY 33 -12.914 -1.687 -5.876
257 HA3 GLY 33 HA3 GLY 33 -12.285 -3.124 -5.068
258 H1' ALL 101 H1 ALL 34 12.061 1.949 -0.755
259 H2' ALL 101 H2 ALL 34 13.953 3.855 -2.248
260 H3' ALL 101 H3 ALL 34 12.039 4.449 -3.652
261 H4' ALL 101 H4 ALL 34 13.380 2.618 -4.518
262 H5' ALL 101 H5 ALL 34 11.616 0.689 -2.950
263 H6'1 ALL 101 H62 ALL 34 12.713 -0.136 -5.144
264 H6'2 ALL 101 H61 ALL 34 13.091 -1.052 -3.673
265 HO'2 ALL 101 H2O ALL 34 13.051 4.635 -0.210
266 HO'3 ALL 101 H3O ALL 34 10.459 3.953 -1.983
267 HO'4 ALL 101 H4O ALL 34 10.565 2.345 -4.604
268 HO'6 ALL 101 H6O ALL 34 14.956 0.376 -3.460