NMR Restraints Grid
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NMR Restraints Grid |
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Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
528134 |
2lks   |
18010 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 H THR 13 HN THR 13 -10.264 14.472 -2.207
2 HA THR 13 HA THR 13 -11.385 12.254 -0.700
3 HB THR 13 HB THR 13 -12.163 11.464 -2.897
4 HG1 THR 13 HG1 THR 13 -10.744 13.725 -3.853
5 HG21 THR 13 HG21 THR 13 -13.624 13.367 -3.416
6 HG22 THR 13 HG22 THR 13 -12.565 14.442 -2.502
7 HG23 THR 13 HG23 THR 13 -13.466 13.175 -1.670
8 H LYS 14 HN LYS 14 -10.011 11.511 -3.760
9 HA LYS 14 HA LYS 14 -8.627 9.256 -2.916
10 HB2 LYS 14 HB2 LYS 14 -7.531 9.286 -5.083
11 HB3 LYS 14 HB1 LYS 14 -9.213 9.780 -5.280
12 HG2 LYS 14 HG2 LYS 14 -8.407 12.185 -5.094
13 HG3 LYS 14 HG1 LYS 14 -6.764 11.557 -5.222
14 HD2 LYS 14 HD2 LYS 14 -7.325 10.510 -7.383
15 HD3 LYS 14 HD1 LYS 14 -8.971 11.131 -7.258
16 HE2 LYS 14 HE2 LYS 14 -8.235 12.984 -8.314
17 HE3 LYS 14 HE1 LYS 14 -7.363 13.374 -6.832
18 HZ1 LYS 14 HZ1 LYS 14 -6.343 12.534 -9.350
19 HZ2 LYS 14 HZ2 LYS 14 -5.821 11.496 -8.110
20 HZ3 LYS 14 HZ3 LYS 14 -5.513 13.163 -8.011
21 H GLU 15 HN GLU 15 -7.881 12.455 -2.270
22 HA GLU 15 HA GLU 15 -5.046 12.427 -2.392
23 HB2 GLU 15 HB2 GLU 15 -6.938 14.050 -0.670
24 HB3 GLU 15 HB1 GLU 15 -5.209 14.361 -0.825
25 HG2 GLU 15 HG2 GLU 15 -7.138 14.300 -3.159
26 HG3 GLU 15 HG1 GLU 15 -6.614 15.775 -2.349
27 H GLU 16 HN GLU 16 -7.368 11.477 0.085
28 HA GLU 16 HA GLU 16 -5.523 11.136 2.205
29 HB2 GLU 16 HB2 GLU 16 -8.209 9.857 1.658
30 HB3 GLU 16 HB1 GLU 16 -7.309 9.642 3.160
31 HG2 GLU 16 HG2 GLU 16 -7.345 12.055 3.562
32 HG3 GLU 16 HG1 GLU 16 -8.165 12.320 2.024
33 H ALA 17 HN ALA 17 -6.680 8.969 -0.340
34 HA ALA 17 HA ALA 17 -5.473 6.601 0.627
35 HB1 ALA 17 HB1 ALA 17 -6.458 7.519 -2.055
36 HB2 ALA 17 HB2 ALA 17 -7.076 6.228 -1.024
37 HB3 ALA 17 HB3 ALA 17 -5.570 6.002 -1.914
38 H LYS 18 HN LYS 18 -4.309 9.190 -1.476
39 HA LYS 18 HA LYS 18 -1.888 7.961 -2.268
40 HB2 LYS 18 HB2 LYS 18 -2.668 10.871 -2.011
41 HB3 LYS 18 HB1 LYS 18 -1.150 10.323 -2.724
42 HG2 LYS 18 HG2 LYS 18 -2.399 9.006 -4.391
43 HG3 LYS 18 HG1 LYS 18 -3.921 9.542 -3.677
44 HD2 LYS 18 HD2 LYS 18 -3.345 11.884 -4.190
45 HD3 LYS 18 HD1 LYS 18 -1.820 11.355 -4.901
46 HE2 LYS 18 HE2 LYS 18 -3.049 10.032 -6.577
47 HE3 LYS 18 HE1 LYS 18 -4.579 10.547 -5.866
48 HZ1 LYS 18 HZ1 LYS 18 -3.190 12.865 -6.288
49 HZ2 LYS 18 HZ2 LYS 18 -4.473 12.274 -7.233
50 HZ3 LYS 18 HZ3 LYS 18 -2.866 11.939 -7.672
51 H GLN 19 HN GLN 19 -2.733 10.022 0.485
52 HA GLN 19 HA GLN 19 -0.126 10.364 1.506
53 HB2 GLN 19 HB2 GLN 19 -2.827 10.382 2.866
54 HB3 GLN 19 HB1 GLN 19 -1.323 10.822 3.677
55 HG2 GLN 19 HG2 GLN 19 -0.931 12.605 2.047
56 HG3 GLN 19 HG1 GLN 19 -2.381 12.139 1.160
57 HE21 GLN 19 HE21 GLN 19 -1.271 14.322 3.457
58 HE22 GLN 19 HE22 GLN 19 -2.756 14.706 4.184
59 H ALA 20 HN ALA 20 -2.555 7.845 2.000
60 HA ALA 20 HA ALA 20 -1.302 6.481 4.117
61 HB1 ALA 20 HB1 ALA 20 -2.552 4.518 2.580
62 HB2 ALA 20 HB2 ALA 20 -3.468 5.988 2.241
63 HB3 ALA 20 HB3 ALA 20 -3.278 5.432 3.903
64 H PHE 21 HN PHE 21 -0.911 6.231 0.608
65 HA PHE 21 HA PHE 21 0.758 3.962 0.565
66 HB2 PHE 21 HB2 PHE 21 -0.295 4.859 -1.458
67 HB3 PHE 21 HB1 PHE 21 0.682 6.322 -1.332
68 HD1 PHE 21 HD2 PHE 21 0.982 2.597 -1.570
69 HD2 PHE 21 HD1 PHE 21 2.804 6.412 -2.334
70 HE1 PHE 21 HE2 PHE 21 2.824 1.473 -2.792
71 HE2 PHE 21 HE1 PHE 21 4.646 5.287 -3.556
72 HZ PHE 21 HZ PHE 21 4.656 2.818 -3.785
73 H LYS 22 HN LYS 22 1.543 7.432 0.698
74 HA LYS 22 HA LYS 22 4.352 7.121 0.695
75 HB2 LYS 22 HB2 LYS 22 2.585 9.329 1.766
76 HB3 LYS 22 HB1 LYS 22 4.344 9.434 1.681
77 HG2 LYS 22 HG2 LYS 22 4.258 9.060 -0.753
78 HG3 LYS 22 HG1 LYS 22 2.499 8.942 -0.676
79 HD2 LYS 22 HD2 LYS 22 2.377 11.250 0.185
80 HD3 LYS 22 HD1 LYS 22 4.135 11.372 0.110
81 HE2 LYS 22 HE2 LYS 22 4.066 10.997 -2.325
82 HE3 LYS 22 HE1 LYS 22 2.309 10.862 -2.257
83 HZ1 LYS 22 HZ1 LYS 22 2.219 13.124 -1.384
84 HZ2 LYS 22 HZ2 LYS 22 2.969 13.079 -2.908
85 HZ3 LYS 22 HZ3 LYS 22 3.906 13.249 -1.501
86 H GLU 23 HN GLU 23 1.988 7.351 3.330
87 HA GLU 23 HA GLU 23 3.885 7.320 5.442
88 HB2 GLU 23 HB2 GLU 23 0.957 6.573 5.352
89 HB3 GLU 23 HB1 GLU 23 1.905 6.630 6.838
90 HG2 GLU 23 HG2 GLU 23 2.414 8.989 6.466
91 HG3 GLU 23 HG1 GLU 23 1.566 8.954 4.922
92 H LEU 24 HN LEU 24 2.185 4.790 3.670
93 HA LEU 24 HA LEU 24 2.844 2.634 5.349
94 HB2 LEU 24 HB2 LEU 24 1.145 2.512 3.540
95 HB3 LEU 24 HB1 LEU 24 2.434 2.618 2.345
96 HG LEU 24 HG LEU 24 3.443 0.536 3.266
97 HD11 LEU 24 HD11 LEU 24 1.600 -0.730 4.745
98 HD12 LEU 24 HD12 LEU 24 1.224 0.922 5.224
99 HD13 LEU 24 HD13 LEU 24 2.846 0.280 5.475
100 HD21 LEU 24 HD21 LEU 24 1.540 -0.996 2.570
101 HD22 LEU 24 HD22 LEU 24 1.989 0.240 1.394
102 HD23 LEU 24 HD23 LEU 24 0.551 0.454 2.394
103 H LEU 25 HN LEU 25 4.523 4.032 2.555
104 HA LEU 25 HA LEU 25 6.625 2.148 2.445
105 HB2 LEU 25 HB2 LEU 25 6.473 5.043 1.574
106 HB3 LEU 25 HB1 LEU 25 7.846 4.002 1.226
107 HG LEU 25 HG LEU 25 4.983 3.348 0.456
108 HD11 LEU 25 HD11 LEU 25 5.459 5.168 -0.929
109 HD12 LEU 25 HD12 LEU 25 6.044 3.818 -1.901
110 HD13 LEU 25 HD13 LEU 25 7.183 4.802 -0.983
111 HD21 LEU 25 HD21 LEU 25 7.583 1.948 0.295
112 HD22 LEU 25 HD22 LEU 25 6.673 1.963 -1.208
113 HD23 LEU 25 HD23 LEU 25 5.949 1.297 0.254
114 H LYS 26 HN LYS 26 6.289 5.228 4.160
115 HA LYS 26 HA LYS 26 8.919 5.323 5.198
116 HB2 LYS 26 HB2 LYS 26 6.330 6.530 6.189
117 HB3 LYS 26 HB1 LYS 26 7.908 6.882 6.894
118 HG2 LYS 26 HG2 LYS 26 8.714 7.686 4.708
119 HG3 LYS 26 HG1 LYS 26 7.143 7.325 3.992
120 HD2 LYS 26 HD2 LYS 26 6.067 8.923 5.533
121 HD3 LYS 26 HD1 LYS 26 7.636 9.285 6.254
122 HE2 LYS 26 HE2 LYS 26 8.460 10.093 4.076
123 HE3 LYS 26 HE1 LYS 26 6.898 9.725 3.346
124 HZ1 LYS 26 HZ1 LYS 26 6.072 11.215 5.333
125 HZ2 LYS 26 HZ2 LYS 26 6.576 11.896 3.860
126 HZ3 LYS 26 HZ3 LYS 26 7.630 11.869 5.191
127 H GLU 27 HN GLU 27 5.908 3.933 6.435
128 HA GLU 27 HA GLU 27 6.875 3.220 8.994
129 HB2 GLU 27 HB2 GLU 27 4.468 3.285 8.376
130 HB3 GLU 27 HB1 GLU 27 4.714 1.858 7.368
131 HG2 GLU 27 HG2 GLU 27 5.429 0.566 9.324
132 HG3 GLU 27 HG1 GLU 27 5.269 1.993 10.346
133 H LYS 28 HN LYS 28 6.881 1.538 5.886
134 HA LYS 28 HA LYS 28 8.218 -0.776 7.091
135 HB2 LYS 28 HB2 LYS 28 7.149 -0.264 4.309
136 HB3 LYS 28 HB1 LYS 28 7.981 -1.744 4.788
137 HG2 LYS 28 HG2 LYS 28 6.286 -2.136 6.537
138 HG3 LYS 28 HG1 LYS 28 5.450 -0.658 6.059
139 HD2 LYS 28 HD2 LYS 28 5.085 -1.583 3.804
140 HD3 LYS 28 HD1 LYS 28 5.926 -3.061 4.273
141 HE2 LYS 28 HE2 LYS 28 4.240 -3.476 6.022
142 HE3 LYS 28 HE1 LYS 28 3.398 -1.995 5.564
143 HZ1 LYS 28 HZ1 LYS 28 2.371 -3.894 4.523
144 HZ2 LYS 28 HZ2 LYS 28 3.850 -4.364 3.831
145 HZ3 LYS 28 HZ3 LYS 28 3.098 -2.923 3.337
146 H ARG 29 HN ARG 29 10.267 -1.479 6.462
147 HA ARG 29 HA ARG 29 12.104 0.615 5.738
148 HB2 ARG 29 HB2 ARG 29 12.501 -2.349 6.204
149 HB3 ARG 29 HB1 ARG 29 13.810 -1.201 5.922
150 HG2 ARG 29 HG2 ARG 29 13.105 0.095 7.900
151 HG3 ARG 29 HG1 ARG 29 11.796 -1.053 8.185
152 HD2 ARG 29 HD2 ARG 29 14.730 -1.803 8.105
153 HD3 ARG 29 HD1 ARG 29 13.829 -1.493 9.586
154 HE ARG 29 HE ARG 29 13.625 -3.845 7.891
155 HH11 ARG 29 HH21 ARG 29 12.192 -1.853 10.330
156 HH12 ARG 29 HH22 ARG 29 11.232 -3.128 11.003
157 HH21 ARG 29 HH11 ARG 29 12.330 -5.510 8.736
158 HH22 ARG 29 HH12 ARG 29 11.224 -5.168 10.024
159 H VAL 30 HN VAL 30 13.324 0.807 3.874
160 HA VAL 30 HA VAL 30 12.688 -1.012 1.644
161 HB VAL 30 HB VAL 30 12.578 2.005 1.573
162 HG11 VAL 30 HG11 VAL 30 11.786 1.127 -0.895
163 HG12 VAL 30 HG12 VAL 30 13.071 -0.020 -0.521
164 HG13 VAL 30 HG13 VAL 30 13.409 1.711 -0.528
165 HG21 VAL 30 HG21 VAL 30 10.266 1.644 0.902
166 HG22 VAL 30 HG22 VAL 30 10.558 0.763 2.402
167 HG23 VAL 30 HG23 VAL 30 10.512 -0.103 0.866
168 HA PRO 31 HA PRO 31 17.280 -0.371 2.437
169 HB2 PRO 31 HB2 PRO 31 17.123 -3.049 1.115
170 HB3 PRO 31 HB1 PRO 31 18.106 -2.532 2.498
171 HG2 PRO 31 HG2 PRO 31 15.915 -4.031 2.803
172 HG3 PRO 31 HG1 PRO 31 16.391 -2.805 3.990
173 HD2 PRO 31 HD2 PRO 31 14.158 -2.755 2.035
174 HD3 PRO 31 HD1 PRO 31 14.313 -1.914 3.594
175 H SER 32 HN SER 32 18.709 0.396 0.943
176 HA SER 32 HA SER 32 17.838 1.096 -1.641
177 HB2 SER 32 HB2 SER 32 20.187 1.757 -2.028
178 HB3 SER 32 HB1 SER 32 19.588 2.343 -0.479
179 HG SER 32 HG SER 32 21.347 0.211 -1.043
180 H ASN 33 HN ASN 33 19.602 -1.677 -0.428
181 HA ASN 33 HA ASN 33 20.597 -2.672 -2.867
182 HB2 ASN 33 HB2 ASN 33 19.858 -3.993 -0.259
183 HB3 ASN 33 HB1 ASN 33 20.475 -4.912 -1.629
184 HD21 ASN 33 HD21 ASN 33 21.932 -4.655 0.856
185 HD22 ASN 33 HD22 ASN 33 23.381 -3.855 0.482
186 H ALA 34 HN ALA 34 17.493 -3.124 -1.227
187 HA ALA 34 HA ALA 34 16.417 -5.117 -2.876
188 HB1 ALA 34 HB1 ALA 34 14.347 -4.605 -1.915
189 HB2 ALA 34 HB2 ALA 34 14.732 -2.891 -1.766
190 HB3 ALA 34 HB3 ALA 34 15.490 -4.062 -0.688
191 H SER 35 HN SER 35 13.968 -3.681 -3.709
192 HA SER 35 HA SER 35 14.779 -1.779 -5.705
193 HB2 SER 35 HB2 SER 35 13.890 -3.187 -7.587
194 HB3 SER 35 HB1 SER 35 15.397 -3.779 -6.894
195 HG SER 35 HG SER 35 14.321 -5.387 -5.905
196 H TRP 36 HN TRP 36 12.928 -0.970 -6.903
197 HA TRP 36 HA TRP 36 10.717 -0.376 -5.291
198 HB2 TRP 36 HB2 TRP 36 11.414 0.985 -7.249
199 HB3 TRP 36 HB1 TRP 36 10.839 -0.296 -8.316
200 HD1 TRP 36 HD1 TRP 36 8.364 -0.262 -8.946
201 HE1 TRP 36 HE1 TRP 36 6.296 1.065 -8.166
202 HE3 TRP 36 HE3 TRP 36 10.355 2.200 -4.940
203 HZ2 TRP 36 HZ2 TRP 36 5.581 2.925 -6.115
204 HZ3 TRP 36 HZ3 TRP 36 8.960 3.742 -3.592
205 HH2 TRP 36 HH2 TRP 36 6.578 4.107 -4.174
206 H GLU 37 HN GLU 37 11.129 -2.820 -7.822
207 HA GLU 37 HA GLU 37 8.475 -3.737 -7.927
208 HB2 GLU 37 HB2 GLU 37 11.091 -5.180 -8.408
209 HB3 GLU 37 HB1 GLU 37 9.509 -5.872 -8.766
210 HG2 GLU 37 HG2 GLU 37 9.015 -4.037 -10.302
211 HG3 GLU 37 HG1 GLU 37 10.544 -3.258 -9.900
212 H GLN 38 HN GLN 38 11.210 -4.783 -5.908
213 HA GLN 38 HA GLN 38 9.793 -6.846 -4.558
214 HB2 GLN 38 HB2 GLN 38 12.270 -5.278 -3.816
215 HB3 GLN 38 HB1 GLN 38 11.661 -6.646 -2.882
216 HG2 GLN 38 HG2 GLN 38 11.851 -8.099 -4.853
217 HG3 GLN 38 HG1 GLN 38 12.422 -6.738 -5.816
218 HE21 GLN 38 HE21 GLN 38 14.625 -7.126 -6.152
219 HE22 GLN 38 HE22 GLN 38 15.727 -7.539 -4.929
220 H ALA 39 HN ALA 39 10.386 -3.428 -3.843
221 HA ALA 39 HA ALA 39 9.281 -3.391 -1.248
222 HB1 ALA 39 HB1 ALA 39 9.055 -0.952 -1.613
223 HB2 ALA 39 HB2 ALA 39 9.425 -1.190 -3.321
224 HB3 ALA 39 HB3 ALA 39 10.642 -1.551 -2.097
225 H MET 40 HN MET 40 7.834 -3.005 -4.447
226 HA MET 40 HA MET 40 5.252 -2.223 -3.572
227 HB2 MET 40 HB2 MET 40 6.279 -3.505 -6.099
228 HB3 MET 40 HB1 MET 40 4.566 -3.160 -5.860
229 HG2 MET 40 HG2 MET 40 5.047 -0.794 -5.515
230 HG3 MET 40 HG1 MET 40 6.777 -1.102 -5.614
231 HE1 MET 40 HE1 MET 40 3.432 -1.336 -7.103
232 HE2 MET 40 HE2 MET 40 3.885 -2.740 -8.065
233 HE3 MET 40 HE3 MET 40 3.601 -1.193 -8.857
234 H LYS 41 HN LYS 41 6.726 -5.373 -4.188
235 HA LYS 41 HA LYS 41 4.365 -6.906 -3.864
236 HB2 LYS 41 HB2 LYS 41 7.286 -7.621 -3.595
237 HB3 LYS 41 HB1 LYS 41 5.982 -8.803 -3.481
238 HG2 LYS 41 HG2 LYS 41 5.207 -8.185 -5.734
239 HG3 LYS 41 HG1 LYS 41 6.489 -6.981 -5.852
240 HD2 LYS 41 HD2 LYS 41 8.186 -8.757 -5.623
241 HD3 LYS 41 HD1 LYS 41 6.906 -9.964 -5.502
242 HE2 LYS 41 HE2 LYS 41 6.107 -9.355 -7.753
243 HE3 LYS 41 HE1 LYS 41 7.377 -8.138 -7.877
244 HZ1 LYS 41 HZ1 LYS 41 8.667 -10.444 -7.149
245 HZ2 LYS 41 HZ2 LYS 41 8.652 -9.738 -8.695
246 HZ3 LYS 41 HZ3 LYS 41 7.528 -10.949 -8.300
247 H MET 42 HN MET 42 6.725 -5.610 -1.628
248 HA MET 42 HA MET 42 6.130 -7.208 0.608
249 HB2 MET 42 HB2 MET 42 7.235 -4.421 0.307
250 HB3 MET 42 HB1 MET 42 6.983 -5.144 1.890
251 HG2 MET 42 HG2 MET 42 8.456 -6.993 1.340
252 HG3 MET 42 HG1 MET 42 8.605 -6.433 -0.320
253 HE1 MET 42 HE1 MET 42 8.987 -5.818 3.284
254 HE2 MET 42 HE2 MET 42 8.722 -4.092 3.060
255 HE3 MET 42 HE3 MET 42 10.321 -4.680 3.507
256 H ILE 43 HN ILE 43 4.770 -4.103 -0.449
257 HA ILE 43 HA ILE 43 2.976 -3.889 1.769
258 HB ILE 43 HB ILE 43 1.936 -2.073 0.397
259 HG12 ILE 43 HG12 ILE 43 4.147 -2.719 -1.560
260 HG13 ILE 43 HG11 ILE 43 2.472 -3.213 -1.799
261 HG21 ILE 43 HG21 ILE 43 4.947 -2.122 0.741
262 HG22 ILE 43 HG22 ILE 43 3.752 -1.484 1.871
263 HG23 ILE 43 HG23 ILE 43 4.039 -0.665 0.336
264 HD11 ILE 43 HD11 ILE 43 3.094 -1.057 -2.948
265 HD12 ILE 43 HD12 ILE 43 3.301 -0.348 -1.346
266 HD13 ILE 43 HD13 ILE 43 1.716 -0.940 -1.851
267 H ILE 44 HN ILE 44 2.821 -5.322 -1.403
268 HA ILE 44 HA ILE 44 0.015 -5.574 -1.609
269 HB ILE 44 HB ILE 44 2.285 -7.119 -2.830
270 HG12 ILE 44 HG12 ILE 44 0.255 -5.319 -4.151
271 HG13 ILE 44 HG11 ILE 44 1.726 -4.678 -3.449
272 HG21 ILE 44 HG21 ILE 44 0.315 -7.848 -4.411
273 HG22 ILE 44 HG22 ILE 44 -0.678 -7.541 -2.986
274 HG23 ILE 44 HG23 ILE 44 0.617 -8.736 -2.917
275 HD11 ILE 44 HD11 ILE 44 1.494 -5.633 -6.021
276 HD12 ILE 44 HD12 ILE 44 2.169 -7.021 -5.167
277 HD13 ILE 44 HD13 ILE 44 3.015 -5.474 -5.143
278 H ASN 45 HN ASN 45 2.507 -7.697 -0.266
279 HA ASN 45 HA ASN 45 0.860 -9.909 0.298
280 HB2 ASN 45 HB2 ASN 45 3.419 -8.881 1.515
281 HB3 ASN 45 HB1 ASN 45 2.636 -10.342 2.121
282 HD21 ASN 45 HD21 ASN 45 5.209 -10.472 0.884
283 HD22 ASN 45 HD22 ASN 45 5.073 -11.204 -0.641
284 H ASP 46 HN ASP 46 1.618 -7.007 2.179
285 HA ASP 46 HA ASP 46 0.576 -7.618 4.578
286 HB2 ASP 46 HB2 ASP 46 1.329 -5.278 3.290
287 HB3 ASP 46 HB1 ASP 46 -0.264 -4.973 3.980
288 HA PRO 47 HA PRO 47 -3.728 -8.676 3.773
289 HB2 PRO 47 HB2 PRO 47 -4.071 -7.474 6.494
290 HB3 PRO 47 HB1 PRO 47 -4.639 -9.035 5.872
291 HG2 PRO 47 HG2 PRO 47 -2.530 -8.847 7.500
292 HG3 PRO 47 HG1 PRO 47 -2.620 -10.058 6.210
293 HD2 PRO 47 HD2 PRO 47 -0.960 -7.613 6.376
294 HD3 PRO 47 HD1 PRO 47 -0.705 -9.138 5.476
295 H ARG 48 HN ARG 48 -2.701 -5.533 4.991
296 HA ARG 48 HA ARG 48 -5.083 -4.091 4.700
297 HB2 ARG 48 HB2 ARG 48 -2.194 -3.246 4.441
298 HB3 ARG 48 HB1 ARG 48 -3.539 -2.106 4.388
299 HG2 ARG 48 HG2 ARG 48 -4.278 -2.839 6.610
300 HG3 ARG 48 HG1 ARG 48 -2.978 -4.029 6.665
301 HD2 ARG 48 HD2 ARG 48 -2.509 -1.056 6.344
302 HD3 ARG 48 HD1 ARG 48 -2.482 -1.881 7.900
303 HE ARG 48 HE ARG 48 -0.743 -3.244 6.160
304 HH11 ARG 48 HH21 ARG 48 -1.105 -0.185 7.738
305 HH12 ARG 48 HH22 ARG 48 0.598 0.099 7.879
306 HH21 ARG 48 HH11 ARG 48 1.492 -2.885 6.357
307 HH22 ARG 48 HH12 ARG 48 2.067 -1.392 7.020
308 H TYR 49 HN TYR 49 -2.751 -5.177 2.337
309 HA TYR 49 HA TYR 49 -3.386 -3.485 0.193
310 HB2 TYR 49 HB2 TYR 49 -1.466 -4.972 0.114
311 HB3 TYR 49 HB1 TYR 49 -2.516 -6.385 0.175
312 HD1 TYR 49 HD1 TYR 49 -1.603 -3.409 -1.868
313 HD2 TYR 49 HD2 TYR 49 -3.579 -7.223 -1.784
314 HE1 TYR 49 HE1 TYR 49 -1.842 -3.340 -4.335
315 HE2 TYR 49 HE2 TYR 49 -3.818 -7.153 -4.252
316 HH TYR 49 HH TYR 49 -3.303 -6.058 -6.117
317 H SER 50 HN SER 50 -4.812 -6.595 1.170
318 HA SER 50 HA SER 50 -6.630 -6.855 -0.959
319 HB2 SER 50 HB2 SER 50 -7.870 -8.363 0.561
320 HB3 SER 50 HB1 SER 50 -6.141 -8.697 0.574
321 HG SER 50 HG SER 50 -7.557 -8.295 2.646
322 H ALA 51 HN ALA 51 -6.924 -5.230 2.179
323 HA ALA 51 HA ALA 51 -9.661 -4.529 1.926
324 HB1 ALA 51 HB1 ALA 51 -9.030 -2.750 3.645
325 HB2 ALA 51 HB2 ALA 51 -7.391 -3.397 3.560
326 HB3 ALA 51 HB3 ALA 51 -8.717 -4.425 4.103
327 H LEU 52 HN LEU 52 -6.660 -2.942 0.956
328 HA LEU 52 HA LEU 52 -7.756 -0.443 0.246
329 HB2 LEU 52 HB2 LEU 52 -5.282 -1.948 -0.553
330 HB3 LEU 52 HB1 LEU 52 -5.696 -0.431 -1.351
331 HG LEU 52 HG LEU 52 -5.758 -0.547 1.644
332 HD11 LEU 52 HD11 LEU 52 -3.596 -1.354 1.505
333 HD12 LEU 52 HD12 LEU 52 -3.272 0.368 1.294
334 HD13 LEU 52 HD13 LEU 52 -3.342 -0.697 -0.111
335 HD21 LEU 52 HD21 LEU 52 -6.375 1.411 -0.081
336 HD22 LEU 52 HD22 LEU 52 -4.637 1.688 0.006
337 HD23 LEU 52 HD23 LEU 52 -5.615 1.754 1.471
338 H ALA 53 HN ALA 53 -7.285 -3.430 -1.604
339 HA ALA 53 HA ALA 53 -8.116 -2.408 -4.109
340 HB1 ALA 53 HB1 ALA 53 -8.199 -5.225 -3.004
341 HB2 ALA 53 HB2 ALA 53 -6.903 -4.507 -3.959
342 HB3 ALA 53 HB3 ALA 53 -8.478 -4.804 -4.694
343 H LYS 54 HN LYS 54 -9.879 -3.990 -1.470
344 HA LYS 54 HA LYS 54 -12.382 -4.148 -2.780
345 HB2 LYS 54 HB2 LYS 54 -11.654 -4.028 0.153
346 HB3 LYS 54 HB1 LYS 54 -13.290 -4.320 -0.437
347 HG2 LYS 54 HG2 LYS 54 -12.501 -6.300 -1.672
348 HG3 LYS 54 HG1 LYS 54 -10.859 -6.007 -1.102
349 HD2 LYS 54 HD2 LYS 54 -11.613 -6.278 1.231
350 HD3 LYS 54 HD1 LYS 54 -13.258 -6.569 0.665
351 HE2 LYS 54 HE2 LYS 54 -12.487 -8.550 -0.582
352 HE3 LYS 54 HE1 LYS 54 -10.837 -8.259 -0.029
353 HZ1 LYS 54 HZ1 LYS 54 -11.770 -8.391 2.286
354 HZ2 LYS 54 HZ2 LYS 54 -11.746 -9.852 1.418
355 HZ3 LYS 54 HZ3 LYS 54 -13.200 -8.991 1.599
356 H LEU 55 HN LEU 55 -10.951 -1.687 -0.658
357 HA LEU 55 HA LEU 55 -11.740 0.402 -0.034
358 HB2 LEU 55 HB2 LEU 55 -10.997 0.333 -2.660
359 HB3 LEU 55 HB1 LEU 55 -12.638 0.964 -2.787
360 HG LEU 55 HG LEU 55 -11.956 2.573 -0.875
361 HD11 LEU 55 HD11 LEU 55 -9.666 1.060 -0.880
362 HD12 LEU 55 HD12 LEU 55 -9.776 2.695 -0.234
363 HD13 LEU 55 HD13 LEU 55 -9.183 2.432 -1.874
364 HD21 LEU 55 HD21 LEU 55 -12.274 3.708 -2.852
365 HD22 LEU 55 HD22 LEU 55 -11.200 2.643 -3.758
366 HD23 LEU 55 HD23 LEU 55 -10.525 3.902 -2.723
367 H SER 56 HN SER 56 -13.769 -1.829 -0.107
368 HA SER 56 HA SER 56 -16.063 -0.234 0.476
369 HB2 SER 56 HB2 SER 56 -15.856 -1.531 -2.199
370 HB3 SER 56 HB1 SER 56 -17.409 -1.599 -1.373
371 HG SER 56 HG SER 56 -17.609 0.344 -2.169
Start of MODEL 2
1 H THR 13 HN THR 13 -11.082 11.982 -7.166
2 HA THR 13 HA THR 13 -9.298 13.566 -5.614
3 HB THR 13 HB THR 13 -11.085 11.248 -4.845
4 HG1 THR 13 HG1 THR 13 -12.461 12.795 -5.217
5 HG21 THR 13 HG21 THR 13 -9.122 12.844 -3.331
6 HG22 THR 13 HG22 THR 13 -9.833 11.276 -2.950
7 HG23 THR 13 HG23 THR 13 -10.721 12.756 -2.592
8 H LYS 14 HN LYS 14 -9.580 10.250 -4.656
9 HA LYS 14 HA LYS 14 -7.979 8.695 -4.094
10 HB2 LYS 14 HB2 LYS 14 -6.692 9.676 -6.653
11 HB3 LYS 14 HB1 LYS 14 -6.406 8.125 -5.862
12 HG2 LYS 14 HG2 LYS 14 -8.683 7.423 -6.253
13 HG3 LYS 14 HG1 LYS 14 -9.128 9.027 -6.839
14 HD2 LYS 14 HD2 LYS 14 -7.605 8.780 -8.745
15 HD3 LYS 14 HD1 LYS 14 -7.095 7.198 -8.152
16 HE2 LYS 14 HE2 LYS 14 -8.796 6.949 -9.913
17 HE3 LYS 14 HE1 LYS 14 -9.420 6.377 -8.366
18 HZ1 LYS 14 HZ1 LYS 14 -11.042 7.762 -9.458
19 HZ2 LYS 14 HZ2 LYS 14 -9.926 9.036 -9.588
20 HZ3 LYS 14 HZ3 LYS 14 -10.482 8.542 -8.060
21 H GLU 15 HN GLU 15 -7.496 11.814 -3.702
22 HA GLU 15 HA GLU 15 -4.684 12.128 -3.496
23 HB2 GLU 15 HB2 GLU 15 -6.293 14.021 -3.573
24 HB3 GLU 15 HB1 GLU 15 -6.855 13.577 -1.961
25 HG2 GLU 15 HG2 GLU 15 -4.610 13.933 -1.047
26 HG3 GLU 15 HG1 GLU 15 -3.995 14.304 -2.657
27 H GLU 16 HN GLU 16 -7.171 11.042 -1.232
28 HA GLU 16 HA GLU 16 -5.529 10.973 1.079
29 HB2 GLU 16 HB2 GLU 16 -8.011 10.895 1.133
30 HB3 GLU 16 HB1 GLU 16 -7.952 9.272 0.444
31 HG2 GLU 16 HG2 GLU 16 -6.672 8.470 2.376
32 HG3 GLU 16 HG1 GLU 16 -6.650 10.096 3.056
33 H ALA 17 HN ALA 17 -6.252 8.594 -1.438
34 HA ALA 17 HA ALA 17 -4.964 6.386 -0.229
35 HB1 ALA 17 HB1 ALA 17 -6.414 5.899 -2.031
36 HB2 ALA 17 HB2 ALA 17 -4.799 5.582 -2.663
37 HB3 ALA 17 HB3 ALA 17 -5.633 7.077 -3.087
38 H LYS 18 HN LYS 18 -3.802 8.970 -2.341
39 HA LYS 18 HA LYS 18 -1.232 7.916 -2.850
40 HB2 LYS 18 HB2 LYS 18 -2.252 9.807 -4.103
41 HB3 LYS 18 HB1 LYS 18 -2.045 10.827 -2.678
42 HG2 LYS 18 HG2 LYS 18 0.382 10.481 -2.751
43 HG3 LYS 18 HG1 LYS 18 0.202 9.402 -4.134
44 HD2 LYS 18 HD2 LYS 18 -0.770 11.254 -5.450
45 HD3 LYS 18 HD1 LYS 18 -0.568 12.335 -4.070
46 HE2 LYS 18 HE2 LYS 18 1.867 11.965 -4.125
47 HE3 LYS 18 HE1 LYS 18 1.674 10.870 -5.494
48 HZ1 LYS 18 HZ1 LYS 18 0.435 13.462 -5.819
49 HZ2 LYS 18 HZ2 LYS 18 1.371 12.559 -6.911
50 HZ3 LYS 18 HZ3 LYS 18 2.127 13.500 -5.716
51 H GLN 19 HN GLN 19 -2.464 10.031 -0.284
52 HA GLN 19 HA GLN 19 0.019 10.548 0.963
53 HB2 GLN 19 HB2 GLN 19 -2.802 10.523 2.055
54 HB3 GLN 19 HB1 GLN 19 -1.400 11.083 2.970
55 HG2 GLN 19 HG2 GLN 19 -0.931 12.780 1.271
56 HG3 GLN 19 HG1 GLN 19 -2.270 12.192 0.287
57 HE21 GLN 19 HE21 GLN 19 -1.471 14.550 2.547
58 HE22 GLN 19 HE22 GLN 19 -3.034 14.911 3.103
59 H ALA 20 HN ALA 20 -2.358 7.962 1.355
60 HA ALA 20 HA ALA 20 -1.256 6.766 3.658
61 HB1 ALA 20 HB1 ALA 20 -3.384 6.243 1.895
62 HB2 ALA 20 HB2 ALA 20 -3.006 5.389 3.390
63 HB3 ALA 20 HB3 ALA 20 -2.367 4.802 1.853
64 H PHE 21 HN PHE 21 -0.564 6.352 0.214
65 HA PHE 21 HA PHE 21 1.145 4.123 0.417
66 HB2 PHE 21 HB2 PHE 21 0.256 4.931 -1.726
67 HB3 PHE 21 HB1 PHE 21 1.219 6.401 -1.577
68 HD1 PHE 21 HD1 PHE 21 1.526 2.672 -1.648
69 HD2 PHE 21 HD2 PHE 21 3.432 6.453 -2.370
70 HE1 PHE 21 HE1 PHE 21 3.470 1.501 -2.651
71 HE2 PHE 21 HE2 PHE 21 5.375 5.282 -3.373
72 HZ PHE 21 HZ PHE 21 5.394 2.807 -3.513
73 H LYS 22 HN LYS 22 1.856 7.610 0.476
74 HA LYS 22 HA LYS 22 4.658 7.365 0.729
75 HB2 LYS 22 HB2 LYS 22 3.480 9.466 0.107
76 HB3 LYS 22 HB1 LYS 22 2.887 9.592 1.764
77 HG2 LYS 22 HG2 LYS 22 5.185 9.689 2.609
78 HG3 LYS 22 HG1 LYS 22 5.813 9.488 0.973
79 HD2 LYS 22 HD2 LYS 22 4.711 11.598 0.298
80 HD3 LYS 22 HD1 LYS 22 4.109 11.802 1.944
81 HE2 LYS 22 HE2 LYS 22 6.420 11.867 2.793
82 HE3 LYS 22 HE1 LYS 22 7.033 11.644 1.154
83 HZ1 LYS 22 HZ1 LYS 22 6.947 13.997 1.979
84 HZ2 LYS 22 HZ2 LYS 22 5.252 13.887 1.909
85 HZ3 LYS 22 HZ3 LYS 22 6.176 13.718 0.493
86 H GLU 23 HN GLU 23 2.089 7.702 3.163
87 HA GLU 23 HA GLU 23 3.827 7.711 5.411
88 HB2 GLU 23 HB2 GLU 23 0.894 7.029 5.139
89 HB3 GLU 23 HB1 GLU 23 1.736 7.136 6.685
90 HG2 GLU 23 HG2 GLU 23 2.331 9.465 6.240
91 HG3 GLU 23 HG1 GLU 23 1.586 9.374 4.645
92 H LEU 24 HN LEU 24 2.239 5.165 3.578
93 HA LEU 24 HA LEU 24 2.663 3.051 5.382
94 HB2 LEU 24 HB2 LEU 24 1.168 2.942 3.376
95 HB3 LEU 24 HB1 LEU 24 2.602 2.910 2.354
96 HG LEU 24 HG LEU 24 3.367 0.844 3.523
97 HD11 LEU 24 HD11 LEU 24 2.452 0.704 5.622
98 HD12 LEU 24 HD12 LEU 24 1.236 -0.243 4.765
99 HD13 LEU 24 HD13 LEU 24 0.933 1.453 5.130
100 HD21 LEU 24 HD21 LEU 24 0.680 0.915 2.163
101 HD22 LEU 24 HD22 LEU 24 1.403 -0.609 2.675
102 HD23 LEU 24 HD23 LEU 24 2.236 0.411 1.503
103 H LEU 25 HN LEU 25 4.677 4.363 2.781
104 HA LEU 25 HA LEU 25 6.718 2.421 2.884
105 HB2 LEU 25 HB2 LEU 25 6.756 5.332 2.061
106 HB3 LEU 25 HB1 LEU 25 8.132 4.254 1.852
107 HG LEU 25 HG LEU 25 5.358 3.704 0.748
108 HD11 LEU 25 HD11 LEU 25 7.691 5.212 -0.340
109 HD12 LEU 25 HD12 LEU 25 5.966 5.460 -0.615
110 HD13 LEU 25 HD13 LEU 25 6.815 4.158 -1.450
111 HD21 LEU 25 HD21 LEU 25 7.084 2.261 -0.760
112 HD22 LEU 25 HD22 LEU 25 6.321 1.626 0.696
113 HD23 LEU 25 HD23 LEU 25 7.962 2.257 0.768
114 H LYS 26 HN LYS 26 6.271 5.468 4.629
115 HA LYS 26 HA LYS 26 8.768 5.506 5.942
116 HB2 LYS 26 HB2 LYS 26 6.084 6.666 6.713
117 HB3 LYS 26 HB1 LYS 26 7.576 6.983 7.600
118 HG2 LYS 26 HG2 LYS 26 8.609 7.885 5.550
119 HG3 LYS 26 HG1 LYS 26 7.121 7.566 4.659
120 HD2 LYS 26 HD2 LYS 26 5.891 9.096 6.146
121 HD3 LYS 26 HD1 LYS 26 7.370 9.408 7.055
122 HE2 LYS 26 HE2 LYS 26 8.432 10.319 5.027
123 HE3 LYS 26 HE1 LYS 26 6.960 10.002 4.110
124 HZ1 LYS 26 HZ1 LYS 26 5.760 11.496 5.567
125 HZ2 LYS 26 HZ2 LYS 26 7.076 12.300 4.856
126 HZ3 LYS 26 HZ3 LYS 26 7.163 11.788 6.473
127 H GLU 27 HN GLU 27 5.650 4.074 6.827
128 HA GLU 27 HA GLU 27 6.399 3.227 9.425
129 HB2 GLU 27 HB2 GLU 27 4.298 2.203 7.505
130 HB3 GLU 27 HB1 GLU 27 4.463 1.638 9.168
131 HG2 GLU 27 HG2 GLU 27 4.115 3.906 10.008
132 HG3 GLU 27 HG1 GLU 27 4.046 4.531 8.362
133 H LYS 28 HN LYS 28 6.630 1.716 6.241
134 HA LYS 28 HA LYS 28 7.726 -0.739 7.373
135 HB2 LYS 28 HB2 LYS 28 7.184 0.135 4.528
136 HB3 LYS 28 HB1 LYS 28 7.863 -1.433 4.967
137 HG2 LYS 28 HG2 LYS 28 5.875 -1.924 6.334
138 HG3 LYS 28 HG1 LYS 28 5.193 -0.351 5.916
139 HD2 LYS 28 HD2 LYS 28 5.188 -0.978 3.532
140 HD3 LYS 28 HD1 LYS 28 5.873 -2.551 3.942
141 HE2 LYS 28 HE2 LYS 28 3.894 -3.068 5.313
142 HE3 LYS 28 HE1 LYS 28 3.209 -1.491 4.928
143 HZ1 LYS 28 HZ1 LYS 28 2.712 -3.700 3.529
144 HZ2 LYS 28 HZ2 LYS 28 4.035 -3.090 2.655
145 HZ3 LYS 28 HZ3 LYS 28 2.643 -2.140 2.869
146 H ARG 29 HN ARG 29 9.828 -1.476 7.041
147 HA ARG 29 HA ARG 29 11.875 0.470 7.082
148 HB2 ARG 29 HB2 ARG 29 11.933 -2.523 6.676
149 HB3 ARG 29 HB1 ARG 29 13.394 -1.540 6.784
150 HG2 ARG 29 HG2 ARG 29 12.687 -0.723 9.001
151 HG3 ARG 29 HG1 ARG 29 11.223 -1.701 8.897
152 HD2 ARG 29 HD2 ARG 29 14.034 -2.825 8.767
153 HD3 ARG 29 HD1 ARG 29 13.049 -2.788 10.226
154 HE ARG 29 HE ARG 29 12.704 -4.555 7.946
155 HH11 ARG 29 HH21 ARG 29 11.334 -3.098 10.770
156 HH12 ARG 29 HH22 ARG 29 10.128 -4.323 10.985
157 HH21 ARG 29 HH11 ARG 29 11.130 -6.168 8.226
158 HH22 ARG 29 HH12 ARG 29 9.995 -6.047 9.529
159 H VAL 30 HN VAL 30 10.687 -1.674 4.519
160 HA VAL 30 HA VAL 30 11.273 -1.817 2.282
161 HB VAL 30 HB VAL 30 10.967 1.154 2.725
162 HG11 VAL 30 HG11 VAL 30 11.638 -0.442 0.326
163 HG12 VAL 30 HG12 VAL 30 11.875 1.279 0.636
164 HG13 VAL 30 HG13 VAL 30 10.298 0.685 0.117
165 HG21 VAL 30 HG21 VAL 30 9.112 -0.809 3.022
166 HG22 VAL 30 HG22 VAL 30 8.958 -0.500 1.291
167 HG23 VAL 30 HG23 VAL 30 8.719 0.811 2.447
168 HA PRO 31 HA PRO 31 15.804 -1.080 3.273
169 HB2 PRO 31 HB2 PRO 31 15.822 -3.451 1.454
170 HB3 PRO 31 HB1 PRO 31 16.753 -3.163 2.935
171 HG2 PRO 31 HG2 PRO 31 14.651 -4.811 2.883
172 HG3 PRO 31 HG1 PRO 31 15.037 -3.820 4.299
173 HD2 PRO 31 HD2 PRO 31 12.835 -3.511 2.337
174 HD3 PRO 31 HD1 PRO 31 12.918 -2.985 4.032
175 H SER 32 HN SER 32 17.244 -0.006 1.981
176 HA SER 32 HA SER 32 16.360 1.162 -0.428
177 HB2 SER 32 HB2 SER 32 18.681 1.992 -0.628
178 HB3 SER 32 HB1 SER 32 18.037 2.231 0.994
179 HG SER 32 HG SER 32 19.418 0.816 1.750
180 H ASN 33 HN ASN 33 17.930 -1.839 0.246
181 HA ASN 33 HA ASN 33 19.202 -2.305 -2.233
182 HB2 ASN 33 HB2 ASN 33 18.094 -4.126 -0.102
183 HB3 ASN 33 HB1 ASN 33 18.834 -4.769 -1.568
184 HD21 ASN 33 HD21 ASN 33 20.024 -5.218 0.992
185 HD22 ASN 33 HD22 ASN 33 21.464 -4.325 1.103
186 H ALA 34 HN ALA 34 15.910 -2.962 -1.099
187 HA ALA 34 HA ALA 34 15.085 -4.293 -3.495
188 HB1 ALA 34 HB1 ALA 34 14.018 -3.905 -0.948
189 HB2 ALA 34 HB2 ALA 34 13.246 -4.746 -2.292
190 HB3 ALA 34 HB3 ALA 34 12.922 -3.034 -2.022
191 H SER 35 HN SER 35 13.940 -3.488 -5.261
192 HA SER 35 HA SER 35 14.137 -0.614 -5.664
193 HB2 SER 35 HB2 SER 35 13.513 -1.290 -8.048
194 HB3 SER 35 HB1 SER 35 15.077 -1.842 -7.460
195 HG SER 35 HG SER 35 12.659 -3.282 -7.726
196 H TRP 36 HN TRP 36 12.201 -0.189 -7.480
197 HA TRP 36 HA TRP 36 9.885 0.224 -5.899
198 HB2 TRP 36 HB2 TRP 36 10.427 1.675 -7.807
199 HB3 TRP 36 HB1 TRP 36 10.173 0.324 -8.912
200 HD1 TRP 36 HD1 TRP 36 8.287 2.684 -6.572
201 HE1 TRP 36 HE1 TRP 36 5.777 2.600 -7.156
202 HE3 TRP 36 HE3 TRP 36 8.301 -1.125 -9.974
203 HZ2 TRP 36 HZ2 TRP 36 4.010 1.113 -8.844
204 HZ3 TRP 36 HZ3 TRP 36 6.194 -1.853 -11.054
205 HH2 TRP 36 HH2 TRP 36 4.049 -0.741 -10.493
206 H GLU 37 HN GLU 37 10.646 -2.142 -8.429
207 HA GLU 37 HA GLU 37 8.110 -3.383 -8.510
208 HB2 GLU 37 HB2 GLU 37 9.866 -3.692 -10.236
209 HB3 GLU 37 HB1 GLU 37 10.818 -4.615 -9.072
210 HG2 GLU 37 HG2 GLU 37 9.031 -6.274 -8.878
211 HG3 GLU 37 HG1 GLU 37 8.010 -5.332 -9.963
212 H GLN 38 HN GLN 38 11.032 -4.081 -6.617
213 HA GLN 38 HA GLN 38 9.972 -6.386 -5.319
214 HB2 GLN 38 HB2 GLN 38 12.240 -4.523 -4.589
215 HB3 GLN 38 HB1 GLN 38 11.866 -6.007 -3.712
216 HG2 GLN 38 HG2 GLN 38 12.170 -7.317 -5.768
217 HG3 GLN 38 HG1 GLN 38 12.511 -5.842 -6.670
218 HE21 GLN 38 HE21 GLN 38 14.729 -5.895 -7.101
219 HE22 GLN 38 HE22 GLN 38 15.928 -6.236 -5.949
220 H ALA 39 HN ALA 39 10.138 -2.952 -4.465
221 HA ALA 39 HA ALA 39 9.148 -3.172 -1.834
222 HB1 ALA 39 HB1 ALA 39 8.334 -0.727 -2.424
223 HB2 ALA 39 HB2 ALA 39 9.335 -0.976 -3.853
224 HB3 ALA 39 HB3 ALA 39 10.051 -1.087 -2.246
225 H MET 40 HN MET 40 7.520 -2.823 -4.953
226 HA MET 40 HA MET 40 4.909 -2.424 -3.955
227 HB2 MET 40 HB2 MET 40 5.988 -3.478 -6.557
228 HB3 MET 40 HB1 MET 40 4.256 -3.388 -6.248
229 HG2 MET 40 HG2 MET 40 6.129 -1.030 -5.938
230 HG3 MET 40 HG1 MET 40 5.220 -1.351 -7.409
231 HE1 MET 40 HE1 MET 40 1.713 -0.787 -6.805
232 HE2 MET 40 HE2 MET 40 2.152 -2.347 -6.119
233 HE3 MET 40 HE3 MET 40 2.960 -1.774 -7.572
234 H LYS 41 HN LYS 41 6.708 -5.345 -4.784
235 HA LYS 41 HA LYS 41 4.572 -7.160 -4.380
236 HB2 LYS 41 HB2 LYS 41 7.565 -7.535 -4.337
237 HB3 LYS 41 HB1 LYS 41 6.416 -8.864 -4.186
238 HG2 LYS 41 HG2 LYS 41 5.410 -8.249 -6.353
239 HG3 LYS 41 HG1 LYS 41 6.552 -6.914 -6.505
240 HD2 LYS 41 HD2 LYS 41 8.432 -8.501 -6.479
241 HD3 LYS 41 HD1 LYS 41 7.304 -9.845 -6.302
242 HE2 LYS 41 HE2 LYS 41 6.266 -9.271 -8.462
243 HE3 LYS 41 HE1 LYS 41 7.381 -7.917 -8.642
244 HZ1 LYS 41 HZ1 LYS 41 8.635 -9.416 -9.706
245 HZ2 LYS 41 HZ2 LYS 41 7.831 -10.746 -9.020
246 HZ3 LYS 41 HZ3 LYS 41 9.057 -9.951 -8.153
247 H MET 42 HN MET 42 7.032 -5.813 -2.254
248 HA MET 42 HA MET 42 6.670 -7.525 -0.062
249 HB2 MET 42 HB2 MET 42 7.618 -4.675 -0.309
250 HB3 MET 42 HB1 MET 42 7.519 -5.482 1.257
251 HG2 MET 42 HG2 MET 42 9.006 -7.259 0.467
252 HG3 MET 42 HG1 MET 42 9.062 -6.531 -1.135
253 HE1 MET 42 HE1 MET 42 12.601 -5.653 -0.203
254 HE2 MET 42 HE2 MET 42 11.464 -6.249 -1.410
255 HE3 MET 42 HE3 MET 42 11.729 -7.168 0.070
256 H ILE 43 HN ILE 43 5.089 -4.447 -0.853
257 HA ILE 43 HA ILE 43 3.468 -4.431 1.502
258 HB ILE 43 HB ILE 43 2.241 -2.608 0.322
259 HG12 ILE 43 HG12 ILE 43 4.256 -3.114 -1.868
260 HG13 ILE 43 HG11 ILE 43 2.572 -3.616 -1.970
261 HG21 ILE 43 HG21 ILE 43 5.063 -2.709 1.021
262 HG22 ILE 43 HG22 ILE 43 3.891 -1.422 1.304
263 HG23 ILE 43 HG23 ILE 43 4.761 -1.499 -0.227
264 HD11 ILE 43 HD11 ILE 43 3.500 -0.762 -1.548
265 HD12 ILE 43 HD12 ILE 43 1.831 -1.300 -1.740
266 HD13 ILE 43 HD13 ILE 43 2.960 -1.431 -3.090
267 H ILE 44 HN ILE 44 3.156 -5.785 -1.686
268 HA ILE 44 HA ILE 44 0.350 -6.137 -1.727
269 HB ILE 44 HB ILE 44 2.639 -7.463 -3.138
270 HG12 ILE 44 HG12 ILE 44 0.252 -6.031 -4.297
271 HG13 ILE 44 HG11 ILE 44 1.636 -5.129 -3.685
272 HG21 ILE 44 HG21 ILE 44 0.713 -8.538 -4.519
273 HG22 ILE 44 HG22 ILE 44 -0.254 -8.280 -3.066
274 HG23 ILE 44 HG23 ILE 44 1.185 -9.298 -2.998
275 HD11 ILE 44 HD11 ILE 44 2.975 -5.763 -5.420
276 HD12 ILE 44 HD12 ILE 44 1.444 -6.066 -6.241
277 HD13 ILE 44 HD13 ILE 44 2.307 -7.395 -5.465
278 H ASN 45 HN ASN 45 2.998 -8.204 -0.592
279 HA ASN 45 HA ASN 45 1.448 -10.472 0.037
280 HB2 ASN 45 HB2 ASN 45 4.073 -9.416 1.077
281 HB3 ASN 45 HB1 ASN 45 3.366 -10.906 1.701
282 HD21 ASN 45 HD21 ASN 45 5.845 -10.926 0.261
283 HD22 ASN 45 HD22 ASN 45 5.599 -11.693 -1.235
284 H ASP 46 HN ASP 46 2.301 -7.595 1.912
285 HA ASP 46 HA ASP 46 1.442 -8.307 4.373
286 HB2 ASP 46 HB2 ASP 46 2.071 -5.891 3.090
287 HB3 ASP 46 HB1 ASP 46 0.576 -5.644 3.992
288 HA PRO 47 HA PRO 47 -2.935 -9.284 3.812
289 HB2 PRO 47 HB2 PRO 47 -3.080 -8.188 6.595
290 HB3 PRO 47 HB1 PRO 47 -3.713 -9.714 5.954
291 HG2 PRO 47 HG2 PRO 47 -1.501 -9.620 7.446
292 HG3 PRO 47 HG1 PRO 47 -1.694 -10.776 6.117
293 HD2 PRO 47 HD2 PRO 47 0.013 -8.370 6.270
294 HD3 PRO 47 HD1 PRO 47 0.176 -9.855 5.300
295 H ARG 48 HN ARG 48 -1.782 -6.206 5.087
296 HA ARG 48 HA ARG 48 -4.158 -4.723 5.018
297 HB2 ARG 48 HB2 ARG 48 -1.285 -3.887 4.576
298 HB3 ARG 48 HB1 ARG 48 -2.622 -2.743 4.702
299 HG2 ARG 48 HG2 ARG 48 -3.178 -3.616 6.933
300 HG3 ARG 48 HG1 ARG 48 -1.865 -4.789 6.811
301 HD2 ARG 48 HD2 ARG 48 -0.238 -2.941 6.608
302 HD3 ARG 48 HD1 ARG 48 -1.548 -1.774 6.755
303 HE ARG 48 HE ARG 48 -0.397 -3.373 8.898
304 HH11 ARG 48 HH21 ARG 48 -2.963 -1.347 7.761
305 HH12 ARG 48 HH22 ARG 48 -3.574 -0.997 9.342
306 HH21 ARG 48 HH11 ARG 48 -1.108 -2.808 10.978
307 HH22 ARG 48 HH12 ARG 48 -2.477 -1.764 11.167
308 H TYR 49 HN TYR 49 -2.145 -5.893 2.455
309 HA TYR 49 HA TYR 49 -2.762 -4.073 0.410
310 HB2 TYR 49 HB2 TYR 49 -1.027 -5.758 0.137
311 HB3 TYR 49 HB1 TYR 49 -2.220 -7.049 0.257
312 HD1 TYR 49 HD2 TYR 49 -1.285 -4.050 -1.761
313 HD2 TYR 49 HD1 TYR 49 -3.392 -7.792 -1.653
314 HE1 TYR 49 HE2 TYR 49 -1.716 -3.878 -4.198
315 HE2 TYR 49 HE1 TYR 49 -3.823 -7.620 -4.090
316 HH TYR 49 HH TYR 49 -3.283 -6.513 -5.977
317 H SER 50 HN SER 50 -4.415 -7.072 1.399
318 HA SER 50 HA SER 50 -6.431 -7.029 -0.563
319 HB2 SER 50 HB2 SER 50 -6.172 -9.038 0.664
320 HB3 SER 50 HB1 SER 50 -6.295 -8.205 2.210
321 HG SER 50 HG SER 50 -8.312 -8.830 2.013
322 H ALA 51 HN ALA 51 -6.350 -5.669 2.720
323 HA ALA 51 HA ALA 51 -8.996 -4.654 2.697
324 HB1 ALA 51 HB1 ALA 51 -7.269 -3.027 4.313
325 HB2 ALA 51 HB2 ALA 51 -6.824 -4.723 4.506
326 HB3 ALA 51 HB3 ALA 51 -8.478 -4.204 4.827
327 H LEU 52 HN LEU 52 -5.892 -3.318 1.694
328 HA LEU 52 HA LEU 52 -6.731 -0.661 1.308
329 HB2 LEU 52 HB2 LEU 52 -4.346 -1.383 1.349
330 HB3 LEU 52 HB1 LEU 52 -4.585 -2.180 -0.203
331 HG LEU 52 HG LEU 52 -5.236 0.005 -1.209
332 HD11 LEU 52 HD11 LEU 52 -4.385 1.976 0.403
333 HD12 LEU 52 HD12 LEU 52 -4.933 0.843 1.637
334 HD13 LEU 52 HD13 LEU 52 -6.057 1.418 0.409
335 HD21 LEU 52 HD21 LEU 52 -2.637 -0.778 -0.258
336 HD22 LEU 52 HD22 LEU 52 -2.761 0.981 -0.259
337 HD23 LEU 52 HD23 LEU 52 -3.061 0.076 -1.742
338 H ALA 53 HN ALA 53 -6.723 -3.469 -0.848
339 HA ALA 53 HA ALA 53 -7.527 -2.138 -3.198
340 HB1 ALA 53 HB1 ALA 53 -6.651 -4.523 -2.968
341 HB2 ALA 53 HB2 ALA 53 -8.002 -4.294 -4.079
342 HB3 ALA 53 HB3 ALA 53 -8.285 -4.968 -2.474
343 H LYS 54 HN LYS 54 -9.351 -3.483 -0.500
344 HA LYS 54 HA LYS 54 -11.928 -3.324 -1.632
345 HB2 LYS 54 HB2 LYS 54 -10.993 -3.172 1.238
346 HB3 LYS 54 HB1 LYS 54 -12.692 -3.248 0.769
347 HG2 LYS 54 HG2 LYS 54 -12.276 -5.376 -0.407
348 HG3 LYS 54 HG1 LYS 54 -10.576 -5.301 0.057
349 HD2 LYS 54 HD2 LYS 54 -11.222 -5.351 2.439
350 HD3 LYS 54 HD1 LYS 54 -12.922 -5.427 1.976
351 HE2 LYS 54 HE2 LYS 54 -12.517 -7.553 0.801
352 HE3 LYS 54 HE1 LYS 54 -10.812 -7.480 1.247
353 HZ1 LYS 54 HZ1 LYS 54 -12.986 -8.435 2.759
354 HZ2 LYS 54 HZ2 LYS 54 -12.290 -7.116 3.572
355 HZ3 LYS 54 HZ3 LYS 54 -11.335 -8.455 3.146
356 H LEU 55 HN LEU 55 -9.983 -0.969 0.151
357 HA LEU 55 HA LEU 55 -10.137 1.309 0.268
358 HB2 LEU 55 HB2 LEU 55 -11.219 0.713 -2.240
359 HB3 LEU 55 HB1 LEU 55 -12.453 1.703 -1.469
360 HG LEU 55 HG LEU 55 -10.886 3.141 -2.664
361 HD11 LEU 55 HD11 LEU 55 -11.707 3.488 -0.088
362 HD12 LEU 55 HD12 LEU 55 -10.815 4.700 -1.000
363 HD13 LEU 55 HD13 LEU 55 -9.961 3.629 0.108
364 HD21 LEU 55 HD21 LEU 55 -8.646 2.776 -2.688
365 HD22 LEU 55 HD22 LEU 55 -8.992 1.246 -1.889
366 HD23 LEU 55 HD23 LEU 55 -8.579 2.665 -0.931
367 H SER 56 HN SER 56 -13.473 0.164 -0.245
368 HA SER 56 HA SER 56 -14.423 1.855 1.912
369 HB2 SER 56 HB2 SER 56 -15.943 -0.212 0.312
370 HB3 SER 56 HB1 SER 56 -16.628 1.080 1.293
371 HG SER 56 HG SER 56 -16.445 2.287 -0.407
Start of MODEL 3
1 H THR 13 HN THR 13 -11.262 14.031 -0.274
2 HA THR 13 HA THR 13 -11.479 12.954 -3.006
3 HB THR 13 HB THR 13 -9.488 14.204 -3.512
4 HG1 THR 13 HG1 THR 13 -8.567 15.454 -1.717
5 HG21 THR 13 HG21 THR 13 -10.995 16.065 -1.694
6 HG22 THR 13 HG22 THR 13 -11.784 15.386 -3.118
7 HG23 THR 13 HG23 THR 13 -10.335 16.376 -3.300
8 H LYS 14 HN LYS 14 -9.772 11.585 -3.819
9 HA LYS 14 HA LYS 14 -9.069 9.510 -1.970
10 HB2 LYS 14 HB2 LYS 14 -8.000 9.871 -4.773
11 HB3 LYS 14 HB1 LYS 14 -8.158 8.371 -3.859
12 HG2 LYS 14 HG2 LYS 14 -10.733 9.439 -3.843
13 HG3 LYS 14 HG1 LYS 14 -10.146 9.765 -5.474
14 HD2 LYS 14 HD2 LYS 14 -9.511 7.394 -5.723
15 HD3 LYS 14 HD1 LYS 14 -10.098 7.065 -4.093
16 HE2 LYS 14 HE2 LYS 14 -12.118 8.459 -5.630
17 HE3 LYS 14 HE1 LYS 14 -11.600 6.998 -6.473
18 HZ1 LYS 14 HZ1 LYS 14 -12.270 5.657 -4.757
19 HZ2 LYS 14 HZ2 LYS 14 -13.450 6.876 -4.678
20 HZ3 LYS 14 HZ3 LYS 14 -12.147 6.879 -3.588
21 H GLU 15 HN GLU 15 -7.903 12.378 -1.829
22 HA GLU 15 HA GLU 15 -5.108 12.175 -2.276
23 HB2 GLU 15 HB2 GLU 15 -6.730 13.980 -0.470
24 HB3 GLU 15 HB1 GLU 15 -4.994 14.157 -0.732
25 HG2 GLU 15 HG2 GLU 15 -5.353 14.458 -3.131
26 HG3 GLU 15 HG1 GLU 15 -7.085 14.192 -2.928
27 H GLU 16 HN GLU 16 -7.173 11.473 0.499
28 HA GLU 16 HA GLU 16 -5.104 11.085 2.397
29 HB2 GLU 16 HB2 GLU 16 -7.921 9.992 2.245
30 HB3 GLU 16 HB1 GLU 16 -6.857 9.772 3.634
31 HG2 GLU 16 HG2 GLU 16 -6.673 12.195 3.917
32 HG3 GLU 16 HG1 GLU 16 -7.657 12.459 2.479
33 H ALA 17 HN ALA 17 -6.719 8.916 0.115
34 HA ALA 17 HA ALA 17 -5.585 6.499 1.040
35 HB1 ALA 17 HB1 ALA 17 -6.006 5.833 -1.459
36 HB2 ALA 17 HB2 ALA 17 -6.804 7.403 -1.548
37 HB3 ALA 17 HB3 ALA 17 -7.380 6.184 -0.410
38 H LYS 18 HN LYS 18 -4.491 8.893 -1.323
39 HA LYS 18 HA LYS 18 -2.264 7.447 -2.296
40 HB2 LYS 18 HB2 LYS 18 -2.808 10.418 -2.142
41 HB3 LYS 18 HB1 LYS 18 -1.426 9.716 -2.985
42 HG2 LYS 18 HG2 LYS 18 -2.949 8.407 -4.411
43 HG3 LYS 18 HG1 LYS 18 -4.338 9.094 -3.566
44 HD2 LYS 18 HD2 LYS 18 -3.668 11.354 -4.291
45 HD3 LYS 18 HD1 LYS 18 -2.276 10.673 -5.134
46 HE2 LYS 18 HE2 LYS 18 -3.784 9.353 -6.571
47 HE3 LYS 18 HE1 LYS 18 -5.180 10.021 -5.726
48 HZ1 LYS 18 HZ1 LYS 18 -3.485 11.227 -7.730
49 HZ2 LYS 18 HZ2 LYS 18 -3.829 12.236 -6.407
50 HZ3 LYS 18 HZ3 LYS 18 -5.096 11.567 -7.323
51 H GLN 19 HN GLN 19 -2.644 9.724 0.389
52 HA GLN 19 HA GLN 19 0.090 9.897 1.085
53 HB2 GLN 19 HB2 GLN 19 -1.712 11.451 1.884
54 HB3 GLN 19 HB1 GLN 19 -2.288 10.163 2.942
55 HG2 GLN 19 HG2 GLN 19 -0.827 11.599 4.237
56 HG3 GLN 19 HG1 GLN 19 0.014 10.074 3.967
57 HE21 GLN 19 HE21 GLN 19 2.185 10.818 3.889
58 HE22 GLN 19 HE22 GLN 19 2.741 11.949 2.753
59 H ALA 20 HN ALA 20 -2.414 7.562 1.827
60 HA ALA 20 HA ALA 20 -1.273 6.277 4.030
61 HB1 ALA 20 HB1 ALA 20 -2.461 4.320 2.320
62 HB2 ALA 20 HB2 ALA 20 -3.414 5.801 2.217
63 HB3 ALA 20 HB3 ALA 20 -3.126 5.044 3.783
64 H PHE 21 HN PHE 21 -0.810 5.661 0.555
65 HA PHE 21 HA PHE 21 0.972 3.490 0.842
66 HB2 PHE 21 HB2 PHE 21 0.602 5.503 -1.382
67 HB3 PHE 21 HB1 PHE 21 1.671 4.105 -1.503
68 HD1 PHE 21 HD2 PHE 21 0.723 1.788 -1.287
69 HD2 PHE 21 HD1 PHE 21 -1.772 5.273 -1.561
70 HE1 PHE 21 HE2 PHE 21 -1.215 0.353 -1.866
71 HE2 PHE 21 HE1 PHE 21 -3.711 3.838 -2.139
72 HZ PHE 21 HZ PHE 21 -3.432 1.379 -2.292
73 H LYS 22 HN LYS 22 1.543 6.980 0.481
74 HA LYS 22 HA LYS 22 4.363 6.853 0.426
75 HB2 LYS 22 HB2 LYS 22 3.030 8.846 -0.237
76 HB3 LYS 22 HB1 LYS 22 2.625 9.106 1.460
77 HG2 LYS 22 HG2 LYS 22 4.997 9.359 2.018
78 HG3 LYS 22 HG1 LYS 22 5.444 9.028 0.344
79 HD2 LYS 22 HD2 LYS 22 4.184 11.025 -0.384
80 HD3 LYS 22 HD1 LYS 22 3.758 11.364 1.293
81 HE2 LYS 22 HE2 LYS 22 6.144 11.586 1.865
82 HE3 LYS 22 HE1 LYS 22 6.581 11.231 0.193
83 HZ1 LYS 22 HZ1 LYS 22 5.604 13.673 1.354
84 HZ2 LYS 22 HZ2 LYS 22 4.776 13.225 -0.060
85 HZ3 LYS 22 HZ3 LYS 22 6.463 13.426 -0.087
86 H GLU 23 HN GLU 23 2.075 7.327 3.104
87 HA GLU 23 HA GLU 23 4.053 7.606 5.123
88 HB2 GLU 23 HB2 GLU 23 1.695 8.342 5.385
89 HB3 GLU 23 HB1 GLU 23 1.194 6.651 5.410
90 HG2 GLU 23 HG2 GLU 23 2.563 6.242 7.399
91 HG3 GLU 23 HG1 GLU 23 3.151 7.904 7.358
92 H LEU 24 HN LEU 24 2.387 4.849 3.715
93 HA LEU 24 HA LEU 24 3.099 2.923 5.637
94 HB2 LEU 24 HB2 LEU 24 1.404 2.560 3.849
95 HB3 LEU 24 HB1 LEU 24 2.702 2.522 2.659
96 HG LEU 24 HG LEU 24 3.721 0.594 3.853
97 HD11 LEU 24 HD11 LEU 24 3.105 0.592 6.067
98 HD12 LEU 24 HD12 LEU 24 1.867 -0.506 5.458
99 HD13 LEU 24 HD13 LEU 24 1.483 1.193 5.728
100 HD21 LEU 24 HD21 LEU 24 2.194 -1.040 3.036
101 HD22 LEU 24 HD22 LEU 24 1.974 0.370 2.001
102 HD23 LEU 24 HD23 LEU 24 0.809 0.024 3.281
103 H LEU 25 HN LEU 25 4.758 4.061 2.722
104 HA LEU 25 HA LEU 25 6.883 2.210 2.766
105 HB2 LEU 25 HB2 LEU 25 6.698 5.028 1.689
106 HB3 LEU 25 HB1 LEU 25 8.089 3.979 1.419
107 HG LEU 25 HG LEU 25 5.237 3.252 0.689
108 HD11 LEU 25 HD11 LEU 25 5.509 4.661 -1.048
109 HD12 LEU 25 HD12 LEU 25 6.721 3.531 -1.650
110 HD13 LEU 25 HD13 LEU 25 7.213 4.912 -0.669
111 HD21 LEU 25 HD21 LEU 25 6.827 1.706 -0.863
112 HD22 LEU 25 HD22 LEU 25 6.250 1.196 0.723
113 HD23 LEU 25 HD23 LEU 25 7.871 1.867 0.547
114 H LYS 26 HN LYS 26 6.491 5.387 4.272
115 HA LYS 26 HA LYS 26 9.112 5.636 5.283
116 HB2 LYS 26 HB2 LYS 26 6.479 6.765 6.250
117 HB3 LYS 26 HB1 LYS 26 8.043 7.218 6.928
118 HG2 LYS 26 HG2 LYS 26 8.800 7.960 4.700
119 HG3 LYS 26 HG1 LYS 26 7.238 7.505 4.017
120 HD2 LYS 26 HD2 LYS 26 6.111 9.122 5.496
121 HD3 LYS 26 HD1 LYS 26 7.665 9.571 6.198
122 HE2 LYS 26 HE2 LYS 26 8.453 10.327 3.987
123 HE3 LYS 26 HE1 LYS 26 6.905 9.871 3.277
124 HZ1 LYS 26 HZ1 LYS 26 6.692 12.129 3.712
125 HZ2 LYS 26 HZ2 LYS 26 7.483 12.027 5.211
126 HZ3 LYS 26 HZ3 LYS 26 5.912 11.406 5.033
127 H GLU 27 HN GLU 27 6.180 4.181 6.642
128 HA GLU 27 HA GLU 27 7.244 3.610 9.203
129 HB2 GLU 27 HB2 GLU 27 5.005 2.326 7.626
130 HB3 GLU 27 HB1 GLU 27 5.375 1.926 9.304
131 HG2 GLU 27 HG2 GLU 27 5.005 4.246 9.976
132 HG3 GLU 27 HG1 GLU 27 4.729 4.712 8.299
133 H LYS 28 HN LYS 28 7.180 1.795 6.170
134 HA LYS 28 HA LYS 28 8.411 -0.546 7.333
135 HB2 LYS 28 HB2 LYS 28 7.850 0.262 4.473
136 HB3 LYS 28 HB1 LYS 28 8.570 -1.281 4.935
137 HG2 LYS 28 HG2 LYS 28 6.598 -1.792 6.326
138 HG3 LYS 28 HG1 LYS 28 5.874 -0.250 5.866
139 HD2 LYS 28 HD2 LYS 28 5.882 -0.940 3.501
140 HD3 LYS 28 HD1 LYS 28 6.619 -2.478 3.949
141 HE2 LYS 28 HE2 LYS 28 4.661 -3.024 5.340
142 HE3 LYS 28 HE1 LYS 28 3.921 -1.483 4.907
143 HZ1 LYS 28 HZ1 LYS 28 2.998 -2.728 3.295
144 HZ2 LYS 28 HZ2 LYS 28 4.222 -3.906 3.333
145 HZ3 LYS 28 HZ3 LYS 28 4.468 -2.446 2.498
146 H ARG 29 HN ARG 29 10.516 -1.303 6.928
147 HA ARG 29 HA ARG 29 12.555 0.650 7.009
148 HB2 ARG 29 HB2 ARG 29 12.621 -2.330 6.514
149 HB3 ARG 29 HB1 ARG 29 14.079 -1.344 6.637
150 HG2 ARG 29 HG2 ARG 29 13.407 -0.603 8.883
151 HG3 ARG 29 HG1 ARG 29 11.927 -1.556 8.765
152 HD2 ARG 29 HD2 ARG 29 13.275 -3.612 8.532
153 HD3 ARG 29 HD1 ARG 29 14.749 -2.661 8.666
154 HE ARG 29 HE ARG 29 12.917 -3.344 10.829
155 HH11 ARG 29 HH21 ARG 29 15.522 -1.383 9.667
156 HH12 ARG 29 HH22 ARG 29 16.112 -0.989 11.247
157 HH21 ARG 29 HH11 ARG 29 13.681 -2.825 12.903
158 HH22 ARG 29 HH12 ARG 29 15.066 -1.799 13.079
159 H VAL 30 HN VAL 30 11.320 -1.394 4.390
160 HA VAL 30 HA VAL 30 11.789 -1.424 2.132
161 HB VAL 30 HB VAL 30 11.838 1.538 2.737
162 HG11 VAL 30 HG11 VAL 30 12.284 0.007 0.242
163 HG12 VAL 30 HG12 VAL 30 12.735 1.665 0.640
164 HG13 VAL 30 HG13 VAL 30 11.090 1.299 0.120
165 HG21 VAL 30 HG21 VAL 30 9.757 0.015 3.127
166 HG22 VAL 30 HG22 VAL 30 9.670 -0.051 1.367
167 HG23 VAL 30 HG23 VAL 30 9.543 1.499 2.199
168 HA PRO 31 HA PRO 31 16.388 -1.289 3.044
169 HB2 PRO 31 HB2 PRO 31 16.099 -3.526 1.087
170 HB3 PRO 31 HB1 PRO 31 17.076 -3.442 2.565
171 HG2 PRO 31 HG2 PRO 31 14.793 -4.825 2.454
172 HG3 PRO 31 HG1 PRO 31 15.313 -3.981 3.921
173 HD2 PRO 31 HD2 PRO 31 13.137 -3.286 2.027
174 HD3 PRO 31 HD1 PRO 31 13.304 -2.889 3.751
175 H SER 32 HN SER 32 18.007 -0.471 1.731
176 HA SER 32 HA SER 32 17.298 1.123 -0.453
177 HB2 SER 32 HB2 SER 32 19.967 0.051 0.460
178 HB3 SER 32 HB1 SER 32 19.805 1.160 -0.899
179 HG SER 32 HG SER 32 19.107 2.714 0.440
180 H ASN 33 HN ASN 33 18.478 -2.185 -0.306
181 HA ASN 33 HA ASN 33 19.076 -2.535 -3.037
182 HB2 ASN 33 HB2 ASN 33 18.261 -4.437 -0.846
183 HB3 ASN 33 HB1 ASN 33 18.568 -4.994 -2.489
184 HD21 ASN 33 HD21 ASN 33 20.224 -5.799 -0.280
185 HD22 ASN 33 HD22 ASN 33 21.767 -5.129 -0.511
186 H ALA 34 HN ALA 34 16.065 -2.926 -1.212
187 HA ALA 34 HA ALA 34 14.539 -3.992 -3.364
188 HB1 ALA 34 HB1 ALA 34 13.393 -4.380 -1.434
189 HB2 ALA 34 HB2 ALA 34 12.663 -2.818 -1.805
190 HB3 ALA 34 HB3 ALA 34 13.999 -2.917 -0.658
191 H SER 35 HN SER 35 13.139 -2.978 -4.807
192 HA SER 35 HA SER 35 13.308 -0.034 -4.948
193 HB2 SER 35 HB2 SER 35 13.492 -0.164 -7.350
194 HB3 SER 35 HB1 SER 35 14.756 -1.170 -6.650
195 HG SER 35 HG SER 35 13.862 -2.840 -7.550
196 H TRP 36 HN TRP 36 11.684 -0.197 -7.414
197 HA TRP 36 HA TRP 36 9.124 0.108 -6.251
198 HB2 TRP 36 HB2 TRP 36 9.615 1.287 -8.282
199 HB3 TRP 36 HB1 TRP 36 9.991 -0.214 -9.130
200 HD1 TRP 36 HD1 TRP 36 8.056 -1.435 -10.280
201 HE1 TRP 36 HE1 TRP 36 5.499 -1.117 -10.377
202 HE3 TRP 36 HE3 TRP 36 7.482 2.178 -6.717
203 HZ2 TRP 36 HZ2 TRP 36 3.479 0.462 -9.110
204 HZ3 TRP 36 HZ3 TRP 36 5.232 3.071 -6.183
205 HH2 TRP 36 HH2 TRP 36 3.231 2.218 -7.374
206 H GLU 37 HN GLU 37 10.538 -2.503 -8.211
207 HA GLU 37 HA GLU 37 8.241 -4.138 -8.300
208 HB2 GLU 37 HB2 GLU 37 11.182 -4.822 -8.462
209 HB3 GLU 37 HB1 GLU 37 9.888 -5.979 -8.771
210 HG2 GLU 37 HG2 GLU 37 9.027 -4.581 -10.584
211 HG3 GLU 37 HG1 GLU 37 10.246 -3.354 -10.245
212 H GLN 38 HN GLN 38 11.041 -4.173 -6.095
213 HA GLN 38 HA GLN 38 10.047 -6.302 -4.483
214 HB2 GLN 38 HB2 GLN 38 12.105 -4.160 -3.890
215 HB3 GLN 38 HB1 GLN 38 11.808 -5.578 -2.884
216 HG2 GLN 38 HG2 GLN 38 12.597 -5.692 -5.809
217 HG3 GLN 38 HG1 GLN 38 13.724 -5.885 -4.467
218 HE21 GLN 38 HE21 GLN 38 12.172 -7.736 -6.654
219 HE22 GLN 38 HE22 GLN 38 11.875 -9.127 -5.727
220 H ALA 39 HN ALA 39 9.924 -2.773 -4.236
221 HA ALA 39 HA ALA 39 8.732 -2.646 -1.672
222 HB1 ALA 39 HB1 ALA 39 8.605 -0.715 -4.000
223 HB2 ALA 39 HB2 ALA 39 9.760 -0.685 -2.667
224 HB3 ALA 39 HB3 ALA 39 8.056 -0.351 -2.364
225 H MET 40 HN MET 40 7.388 -2.916 -4.930
226 HA MET 40 HA MET 40 4.680 -2.487 -4.271
227 HB2 MET 40 HB2 MET 40 5.542 -2.468 -6.582
228 HB3 MET 40 HB1 MET 40 5.824 -4.207 -6.480
229 HG2 MET 40 HG2 MET 40 3.437 -4.606 -6.116
230 HG3 MET 40 HG1 MET 40 3.126 -2.871 -6.112
231 HE1 MET 40 HE1 MET 40 3.366 -6.041 -7.978
232 HE2 MET 40 HE2 MET 40 5.050 -5.584 -8.224
233 HE3 MET 40 HE3 MET 40 3.958 -5.669 -9.603
234 H LYS 41 HN LYS 41 6.665 -5.415 -4.359
235 HA LYS 41 HA LYS 41 4.566 -7.240 -3.795
236 HB2 LYS 41 HB2 LYS 41 7.552 -7.444 -3.407
237 HB3 LYS 41 HB1 LYS 41 6.432 -8.781 -3.144
238 HG2 LYS 41 HG2 LYS 41 5.645 -8.598 -5.470
239 HG3 LYS 41 HG1 LYS 41 6.748 -7.248 -5.742
240 HD2 LYS 41 HD2 LYS 41 8.669 -8.711 -5.240
241 HD3 LYS 41 HD1 LYS 41 7.569 -10.064 -4.971
242 HE2 LYS 41 HE2 LYS 41 6.771 -9.887 -7.297
243 HE3 LYS 41 HE1 LYS 41 7.861 -8.528 -7.570
244 HZ1 LYS 41 HZ1 LYS 41 8.705 -10.748 -8.310
245 HZ2 LYS 41 HZ2 LYS 41 8.791 -11.196 -6.674
246 HZ3 LYS 41 HZ3 LYS 41 9.734 -9.908 -7.255
247 H MET 42 HN MET 42 6.751 -5.365 -1.771
248 HA MET 42 HA MET 42 6.264 -6.655 0.680
249 HB2 MET 42 HB2 MET 42 7.107 -3.854 -0.037
250 HB3 MET 42 HB1 MET 42 6.911 -4.363 1.641
251 HG2 MET 42 HG2 MET 42 8.543 -6.146 1.336
252 HG3 MET 42 HG1 MET 42 8.676 -5.770 -0.381
253 HE1 MET 42 HE1 MET 42 10.146 -3.456 3.240
254 HE2 MET 42 HE2 MET 42 8.887 -4.683 3.125
255 HE3 MET 42 HE3 MET 42 8.524 -3.014 2.693
256 H ILE 43 HN ILE 43 4.639 -3.877 -0.833
257 HA ILE 43 HA ILE 43 2.807 -3.491 1.334
258 HB ILE 43 HB ILE 43 1.613 -2.018 -0.295
259 HG12 ILE 43 HG12 ILE 43 3.867 -2.826 -2.145
260 HG13 ILE 43 HG11 ILE 43 2.212 -3.407 -2.305
261 HG21 ILE 43 HG21 ILE 43 4.617 -1.605 -0.281
262 HG22 ILE 43 HG22 ILE 43 3.579 -1.276 1.107
263 HG23 ILE 43 HG23 ILE 43 3.371 -0.360 -0.386
264 HD11 ILE 43 HD11 ILE 43 2.604 -1.488 -3.792
265 HD12 ILE 43 HD12 ILE 43 3.077 -0.507 -2.406
266 HD13 ILE 43 HD13 ILE 43 1.417 -1.087 -2.551
267 H ILE 44 HN ILE 44 2.782 -5.363 -1.632
268 HA ILE 44 HA ILE 44 0.009 -5.922 -1.711
269 HB ILE 44 HB ILE 44 2.440 -7.258 -2.864
270 HG12 ILE 44 HG12 ILE 44 -0.000 -6.029 -4.179
271 HG13 ILE 44 HG11 ILE 44 1.458 -5.112 -3.804
272 HG21 ILE 44 HG21 ILE 44 1.087 -9.150 -2.519
273 HG22 ILE 44 HG22 ILE 44 0.644 -8.638 -4.147
274 HG23 ILE 44 HG23 ILE 44 -0.404 -8.246 -2.783
275 HD11 ILE 44 HD11 ILE 44 2.792 -6.653 -5.194
276 HD12 ILE 44 HD12 ILE 44 1.496 -5.920 -6.139
277 HD13 ILE 44 HD13 ILE 44 1.339 -7.580 -5.563
278 H ASN 45 HN ASN 45 2.747 -7.604 -0.214
279 HA ASN 45 HA ASN 45 1.348 -9.888 0.660
280 HB2 ASN 45 HB2 ASN 45 3.825 -8.482 1.655
281 HB3 ASN 45 HB1 ASN 45 3.205 -9.933 2.444
282 HD21 ASN 45 HD21 ASN 45 5.753 -9.904 1.109
283 HD22 ASN 45 HD22 ASN 45 5.646 -10.920 -0.248
284 H ASP 46 HN ASP 46 1.875 -6.713 2.130
285 HA ASP 46 HA ASP 46 0.918 -7.196 4.653
286 HB2 ASP 46 HB2 ASP 46 1.488 -4.895 3.099
287 HB3 ASP 46 HB1 ASP 46 -0.074 -4.655 3.886
288 HA PRO 47 HA PRO 47 -3.347 -8.531 3.955
289 HB2 PRO 47 HB2 PRO 47 -3.741 -7.165 6.587
290 HB3 PRO 47 HB1 PRO 47 -4.237 -8.790 6.078
291 HG2 PRO 47 HG2 PRO 47 -2.139 -8.389 7.678
292 HG3 PRO 47 HG1 PRO 47 -2.175 -9.689 6.476
293 HD2 PRO 47 HD2 PRO 47 -0.619 -7.176 6.465
294 HD3 PRO 47 HD1 PRO 47 -0.299 -8.732 5.669
295 H ARG 48 HN ARG 48 -2.462 -5.264 4.931
296 HA ARG 48 HA ARG 48 -4.918 -3.959 4.583
297 HB2 ARG 48 HB2 ARG 48 -2.080 -2.993 4.193
298 HB3 ARG 48 HB1 ARG 48 -3.485 -1.931 4.113
299 HG2 ARG 48 HG2 ARG 48 -4.124 -2.565 6.397
300 HG3 ARG 48 HG1 ARG 48 -2.751 -3.671 6.485
301 HD2 ARG 48 HD2 ARG 48 -1.200 -1.786 6.186
302 HD3 ARG 48 HD1 ARG 48 -2.561 -0.674 6.064
303 HE ARG 48 HE ARG 48 -2.878 -0.860 8.382
304 HH11 ARG 48 HH21 ARG 48 -0.533 -3.115 7.192
305 HH12 ARG 48 HH22 ARG 48 0.057 -3.538 8.764
306 HH21 ARG 48 HH11 ARG 48 -2.105 -1.411 10.444
307 HH22 ARG 48 HH12 ARG 48 -0.825 -2.566 10.604
308 H TYR 49 HN TYR 49 -2.701 -5.270 2.270
309 HA TYR 49 HA TYR 49 -3.298 -3.731 0.004
310 HB2 TYR 49 HB2 TYR 49 -1.472 -5.334 0.009
311 HB3 TYR 49 HB1 TYR 49 -2.603 -6.670 0.214
312 HD1 TYR 49 HD1 TYR 49 -1.666 -3.883 -2.089
313 HD2 TYR 49 HD2 TYR 49 -3.670 -7.659 -1.650
314 HE1 TYR 49 HE1 TYR 49 -1.969 -4.009 -4.547
315 HE2 TYR 49 HE2 TYR 49 -3.974 -7.783 -4.107
316 HH TYR 49 HH TYR 49 -3.766 -6.693 -6.042
317 H SER 50 HN SER 50 -4.881 -6.646 1.286
318 HA SER 50 HA SER 50 -6.759 -7.001 -0.768
319 HB2 SER 50 HB2 SER 50 -7.015 -7.622 2.183
320 HB3 SER 50 HB1 SER 50 -8.073 -8.245 0.921
321 HG SER 50 HG SER 50 -6.459 -9.460 0.152
322 H ALA 51 HN ALA 51 -6.897 -5.046 2.191
323 HA ALA 51 HA ALA 51 -9.583 -4.197 1.910
324 HB1 ALA 51 HB1 ALA 51 -7.201 -3.033 3.349
325 HB2 ALA 51 HB2 ALA 51 -8.574 -3.899 4.037
326 HB3 ALA 51 HB3 ALA 51 -8.791 -2.272 3.392
327 H LEU 52 HN LEU 52 -6.521 -2.902 0.711
328 HA LEU 52 HA LEU 52 -7.510 -0.449 -0.278
329 HB2 LEU 52 HB2 LEU 52 -5.156 -2.161 -1.084
330 HB3 LEU 52 HB1 LEU 52 -5.473 -0.580 -1.796
331 HG LEU 52 HG LEU 52 -5.215 -1.063 1.185
332 HD11 LEU 52 HD11 LEU 52 -3.179 -0.646 -0.924
333 HD12 LEU 52 HD12 LEU 52 -3.021 -1.393 0.666
334 HD13 LEU 52 HD13 LEU 52 -3.003 0.363 0.511
335 HD21 LEU 52 HD21 LEU 52 -5.894 1.249 -0.500
336 HD22 LEU 52 HD22 LEU 52 -4.564 1.569 0.612
337 HD23 LEU 52 HD23 LEU 52 -6.118 1.015 1.232
338 H ALA 53 HN ALA 53 -7.196 -3.650 -1.768
339 HA ALA 53 HA ALA 53 -8.013 -2.888 -4.366
340 HB1 ALA 53 HB1 ALA 53 -7.939 -5.131 -4.863
341 HB2 ALA 53 HB2 ALA 53 -8.685 -5.604 -3.336
342 HB3 ALA 53 HB3 ALA 53 -6.985 -5.142 -3.380
343 H LYS 54 HN LYS 54 -9.816 -4.088 -1.554
344 HA LYS 54 HA LYS 54 -12.339 -4.255 -2.826
345 HB2 LYS 54 HB2 LYS 54 -11.575 -3.879 0.075
346 HB3 LYS 54 HB1 LYS 54 -13.229 -4.151 -0.474
347 HG2 LYS 54 HG2 LYS 54 -12.549 -6.277 -1.510
348 HG3 LYS 54 HG1 LYS 54 -10.887 -6.008 -0.983
349 HD2 LYS 54 HD2 LYS 54 -11.624 -6.011 1.370
350 HD3 LYS 54 HD1 LYS 54 -13.289 -6.274 0.849
351 HE2 LYS 54 HE2 LYS 54 -12.633 -8.406 -0.200
352 HE3 LYS 54 HE1 LYS 54 -10.964 -8.145 0.306
353 HZ1 LYS 54 HZ1 LYS 54 -13.293 -8.896 1.892
354 HZ2 LYS 54 HZ2 LYS 54 -12.168 -7.856 2.626
355 HZ3 LYS 54 HZ3 LYS 54 -11.673 -9.375 2.048
356 H LEU 55 HN LEU 55 -10.776 -1.673 -0.959
357 HA LEU 55 HA LEU 55 -11.461 0.501 -0.533
358 HB2 LEU 55 HB2 LEU 55 -10.721 0.142 -3.139
359 HB3 LEU 55 HB1 LEU 55 -12.320 0.862 -3.328
360 HG LEU 55 HG LEU 55 -11.537 2.592 -1.573
361 HD11 LEU 55 HD11 LEU 55 -9.346 0.939 -1.421
362 HD12 LEU 55 HD12 LEU 55 -9.360 2.628 -0.914
363 HD13 LEU 55 HD13 LEU 55 -8.772 2.195 -2.518
364 HD21 LEU 55 HD21 LEU 55 -10.550 2.373 -4.414
365 HD22 LEU 55 HD22 LEU 55 -10.151 3.784 -3.433
366 HD23 LEU 55 HD23 LEU 55 -11.838 3.391 -3.768
367 H SER 56 HN SER 56 -13.599 -1.609 -0.394
368 HA SER 56 HA SER 56 -15.825 0.195 -0.108
369 HB2 SER 56 HB2 SER 56 -16.323 -2.075 -2.006
370 HB3 SER 56 HB1 SER 56 -17.254 -0.599 -1.770
371 HG SER 56 HG SER 56 -15.613 -0.936 -3.650
Start of MODEL 4
1 H THR 13 HN THR 13 -12.089 13.189 -4.449
2 HA THR 13 HA THR 13 -9.967 13.883 -3.907
3 HB THR 13 HB THR 13 -11.099 13.785 -1.100
4 HG1 THR 13 HG1 THR 13 -11.803 15.782 -1.507
5 HG21 THR 13 HG21 THR 13 -8.585 14.901 -2.306
6 HG22 THR 13 HG22 THR 13 -8.796 14.018 -0.795
7 HG23 THR 13 HG23 THR 13 -9.318 15.698 -0.913
8 H LYS 14 HN LYS 14 -9.229 11.740 -4.624
9 HA LYS 14 HA LYS 14 -8.702 9.689 -2.678
10 HB2 LYS 14 HB2 LYS 14 -7.128 9.672 -5.171
11 HB3 LYS 14 HB1 LYS 14 -8.143 8.413 -4.466
12 HG2 LYS 14 HG2 LYS 14 -10.146 9.866 -5.153
13 HG3 LYS 14 HG1 LYS 14 -9.003 10.775 -6.141
14 HD2 LYS 14 HD2 LYS 14 -8.320 8.310 -6.931
15 HD3 LYS 14 HD1 LYS 14 -9.992 7.980 -6.474
16 HE2 LYS 14 HE2 LYS 14 -9.871 8.626 -8.843
17 HE3 LYS 14 HE1 LYS 14 -10.745 9.848 -7.918
18 HZ1 LYS 14 HZ1 LYS 14 -9.067 11.341 -8.121
19 HZ2 LYS 14 HZ2 LYS 14 -8.808 10.479 -9.561
20 HZ3 LYS 14 HZ3 LYS 14 -7.852 10.159 -8.194
21 H GLU 15 HN GLU 15 -7.544 12.541 -2.480
22 HA GLU 15 HA GLU 15 -4.726 12.342 -2.742
23 HB2 GLU 15 HB2 GLU 15 -6.466 14.150 -1.053
24 HB3 GLU 15 HB1 GLU 15 -4.717 14.330 -1.201
25 HG2 GLU 15 HG2 GLU 15 -4.918 14.622 -3.620
26 HG3 GLU 15 HG1 GLU 15 -6.657 14.353 -3.530
27 H GLU 16 HN GLU 16 -6.969 11.625 -0.118
28 HA GLU 16 HA GLU 16 -5.039 11.263 1.924
29 HB2 GLU 16 HB2 GLU 16 -7.818 10.124 1.566
30 HB3 GLU 16 HB1 GLU 16 -6.857 9.923 3.032
31 HG2 GLU 16 HG2 GLU 16 -6.738 12.349 3.323
32 HG3 GLU 16 HG1 GLU 16 -7.616 12.594 1.814
33 H ALA 17 HN ALA 17 -6.447 9.073 -0.469
34 HA ALA 17 HA ALA 17 -5.339 6.673 0.536
35 HB1 ALA 17 HB1 ALA 17 -5.586 5.988 -1.973
36 HB2 ALA 17 HB2 ALA 17 -6.385 7.551 -2.137
37 HB3 ALA 17 HB3 ALA 17 -7.034 6.341 -1.031
38 H LYS 18 HN LYS 18 -4.119 9.109 -1.713
39 HA LYS 18 HA LYS 18 -1.819 7.710 -2.573
40 HB2 LYS 18 HB2 LYS 18 -2.398 10.671 -2.368
41 HB3 LYS 18 HB1 LYS 18 -0.957 10.003 -3.135
42 HG2 LYS 18 HG2 LYS 18 -2.368 8.728 -4.701
43 HG3 LYS 18 HG1 LYS 18 -3.817 9.380 -3.931
44 HD2 LYS 18 HD2 LYS 18 -3.120 11.666 -4.540
45 HD3 LYS 18 HD1 LYS 18 -1.668 11.020 -5.308
46 HE2 LYS 18 HE2 LYS 18 -3.064 9.735 -6.882
47 HE3 LYS 18 HE1 LYS 18 -4.519 10.367 -6.113
48 HZ1 LYS 18 HZ1 LYS 18 -2.503 11.808 -7.715
49 HZ2 LYS 18 HZ2 LYS 18 -3.503 12.641 -6.623
50 HZ3 LYS 18 HZ3 LYS 18 -4.187 11.769 -7.912
51 H GLN 19 HN GLN 19 -2.404 9.883 0.160
52 HA GLN 19 HA GLN 19 0.267 10.093 1.044
53 HB2 GLN 19 HB2 GLN 19 -2.349 10.294 2.547
54 HB3 GLN 19 HB1 GLN 19 -0.781 10.676 3.258
55 HG2 GLN 19 HG2 GLN 19 -0.398 12.393 1.542
56 HG3 GLN 19 HG1 GLN 19 -1.935 11.982 0.777
57 HE21 GLN 19 HE21 GLN 19 -2.063 14.515 1.384
58 HE22 GLN 19 HE22 GLN 19 -2.854 14.829 2.856
59 H ALA 20 HN ALA 20 -2.177 7.627 1.489
60 HA ALA 20 HA ALA 20 -1.118 6.258 3.688
61 HB1 ALA 20 HB1 ALA 20 -2.212 4.571 1.528
62 HB2 ALA 20 HB2 ALA 20 -3.262 5.889 2.048
63 HB3 ALA 20 HB3 ALA 20 -2.697 4.696 3.218
64 H PHE 21 HN PHE 21 -0.431 5.873 0.217
65 HA PHE 21 HA PHE 21 1.405 3.745 0.473
66 HB2 PHE 21 HB2 PHE 21 1.094 5.892 -1.630
67 HB3 PHE 21 HB1 PHE 21 2.231 4.552 -1.776
68 HD1 PHE 21 HD1 PHE 21 1.432 2.231 -1.971
69 HD2 PHE 21 HD2 PHE 21 -1.302 5.537 -1.790
70 HE1 PHE 21 HE1 PHE 21 -0.398 0.762 -2.774
71 HE2 PHE 21 HE2 PHE 21 -3.133 4.069 -2.592
72 HZ PHE 21 HZ PHE 21 -2.680 1.680 -3.084
73 H LYS 22 HN LYS 22 1.876 7.265 0.388
74 HA LYS 22 HA LYS 22 4.699 7.228 0.504
75 HB2 LYS 22 HB2 LYS 22 2.690 9.309 1.387
76 HB3 LYS 22 HB1 LYS 22 4.434 9.578 1.357
77 HG2 LYS 22 HG2 LYS 22 4.480 9.070 -1.053
78 HG3 LYS 22 HG1 LYS 22 2.739 8.786 -1.030
79 HD2 LYS 22 HD2 LYS 22 2.365 11.114 -0.306
80 HD3 LYS 22 HD1 LYS 22 4.106 11.402 -0.328
81 HE2 LYS 22 HE2 LYS 22 4.167 10.892 -2.739
82 HE3 LYS 22 HE1 LYS 22 2.429 10.593 -2.723
83 HZ1 LYS 22 HZ1 LYS 22 1.974 12.819 -2.283
84 HZ2 LYS 22 HZ2 LYS 22 3.222 12.886 -3.434
85 HZ3 LYS 22 HZ3 LYS 22 3.561 13.157 -1.792
86 H GLU 23 HN GLU 23 2.215 7.286 3.027
87 HA GLU 23 HA GLU 23 3.932 7.662 5.230
88 HB2 GLU 23 HB2 GLU 23 1.459 7.888 5.323
89 HB3 GLU 23 HB1 GLU 23 1.315 6.139 5.151
90 HG2 GLU 23 HG2 GLU 23 2.576 5.802 7.224
91 HG3 GLU 23 HG1 GLU 23 2.810 7.542 7.386
92 H LEU 24 HN LEU 24 2.753 4.709 3.645
93 HA LEU 24 HA LEU 24 3.934 2.871 5.434
94 HB2 LEU 24 HB2 LEU 24 3.164 2.640 2.520
95 HB3 LEU 24 HB1 LEU 24 3.734 1.272 3.478
96 HG LEU 24 HG LEU 24 1.373 3.016 4.242
97 HD11 LEU 24 HD11 LEU 24 -0.063 1.256 3.426
98 HD12 LEU 24 HD12 LEU 24 1.324 0.234 3.049
99 HD13 LEU 24 HD13 LEU 24 1.035 1.705 2.120
100 HD21 LEU 24 HD21 LEU 24 1.774 2.000 6.237
101 HD22 LEU 24 HD22 LEU 24 2.828 0.782 5.519
102 HD23 LEU 24 HD23 LEU 24 1.077 0.575 5.472
103 H LEU 25 HN LEU 25 5.116 4.364 2.454
104 HA LEU 25 HA LEU 25 7.546 2.921 2.301
105 HB2 LEU 25 HB2 LEU 25 6.745 5.636 1.238
106 HB3 LEU 25 HB1 LEU 25 8.284 4.862 0.858
107 HG LEU 25 HG LEU 25 5.577 3.585 0.376
108 HD11 LEU 25 HD11 LEU 25 6.170 4.062 -2.063
109 HD12 LEU 25 HD12 LEU 25 7.385 5.179 -1.445
110 HD13 LEU 25 HD13 LEU 25 5.678 5.454 -1.098
111 HD21 LEU 25 HD21 LEU 25 8.384 2.704 0.104
112 HD22 LEU 25 HD22 LEU 25 7.395 2.424 -1.329
113 HD23 LEU 25 HD23 LEU 25 6.906 1.748 0.221
114 H LYS 26 HN LYS 26 6.646 5.931 3.907
115 HA LYS 26 HA LYS 26 9.204 6.811 4.636
116 HB2 LYS 26 HB2 LYS 26 7.120 8.151 4.867
117 HB3 LYS 26 HB1 LYS 26 6.642 7.123 6.218
118 HG2 LYS 26 HG2 LYS 26 8.650 7.775 7.461
119 HG3 LYS 26 HG1 LYS 26 9.195 8.755 6.100
120 HD2 LYS 26 HD2 LYS 26 7.168 10.157 6.306
121 HD3 LYS 26 HD1 LYS 26 6.643 9.186 7.681
122 HE2 LYS 26 HE2 LYS 26 8.680 9.819 8.917
123 HE3 LYS 26 HE1 LYS 26 9.219 10.780 7.540
124 HZ1 LYS 26 HZ1 LYS 26 7.422 11.490 9.596
125 HZ2 LYS 26 HZ2 LYS 26 6.622 11.567 8.099
126 HZ3 LYS 26 HZ3 LYS 26 8.048 12.456 8.350
127 H GLU 27 HN GLU 27 6.947 4.644 6.324
128 HA GLU 27 HA GLU 27 8.127 4.247 8.735
129 HB2 GLU 27 HB2 GLU 27 7.021 2.147 6.861
130 HB3 GLU 27 HB1 GLU 27 7.420 1.841 8.552
131 HG2 GLU 27 HG2 GLU 27 5.837 3.554 9.274
132 HG3 GLU 27 HG1 GLU 27 5.484 3.967 7.597
133 H LYS 28 HN LYS 28 9.588 2.545 9.531
134 HA LYS 28 HA LYS 28 12.122 2.680 8.302
135 HB2 LYS 28 HB2 LYS 28 11.035 0.824 10.429
136 HB3 LYS 28 HB1 LYS 28 12.733 0.885 9.953
137 HG2 LYS 28 HG2 LYS 28 12.824 3.274 10.544
138 HG3 LYS 28 HG1 LYS 28 11.124 3.229 11.011
139 HD2 LYS 28 HD2 LYS 28 11.638 1.546 12.740
140 HD3 LYS 28 HD1 LYS 28 13.339 1.588 12.276
141 HE2 LYS 28 HE2 LYS 28 13.449 3.980 12.863
142 HE3 LYS 28 HE1 LYS 28 11.745 3.949 13.318
143 HZ1 LYS 28 HZ1 LYS 28 14.025 3.099 14.801
144 HZ2 LYS 28 HZ2 LYS 28 12.870 1.859 14.680
145 HZ3 LYS 28 HZ3 LYS 28 12.436 3.369 15.331
146 H ARG 29 HN ARG 29 9.610 0.189 8.277
147 HA ARG 29 HA ARG 29 11.087 -1.817 6.947
148 HB2 ARG 29 HB2 ARG 29 8.114 -1.258 7.008
149 HB3 ARG 29 HB1 ARG 29 8.835 -2.720 6.333
150 HG2 ARG 29 HG2 ARG 29 9.822 -3.278 8.494
151 HG3 ARG 29 HG1 ARG 29 9.222 -1.769 9.186
152 HD2 ARG 29 HD2 ARG 29 7.721 -3.587 9.808
153 HD3 ARG 29 HD1 ARG 29 6.895 -2.507 8.689
154 HE ARG 29 HE ARG 29 8.161 -4.602 7.249
155 HH11 ARG 29 HH21 ARG 29 5.522 -3.919 9.381
156 HH12 ARG 29 HH22 ARG 29 4.521 -5.195 8.774
157 HH21 ARG 29 HH11 ARG 29 6.852 -6.275 6.445
158 HH22 ARG 29 HH12 ARG 29 5.274 -6.529 7.112
159 H VAL 30 HN VAL 30 11.012 -2.477 4.747
160 HA VAL 30 HA VAL 30 11.029 -2.177 2.469
161 HB VAL 30 HB VAL 30 9.300 0.266 2.750
162 HG11 VAL 30 HG11 VAL 30 10.278 -1.001 0.581
163 HG12 VAL 30 HG12 VAL 30 8.712 -0.189 0.590
164 HG13 VAL 30 HG13 VAL 30 8.801 -1.935 0.820
165 HG21 VAL 30 HG21 VAL 30 8.676 -2.532 3.544
166 HG22 VAL 30 HG22 VAL 30 7.467 -1.711 2.558
167 HG23 VAL 30 HG23 VAL 30 7.963 -1.019 4.103
168 HA PRO 31 HA PRO 31 14.256 1.106 3.522
169 HB2 PRO 31 HB2 PRO 31 15.715 -0.836 1.783
170 HB3 PRO 31 HB1 PRO 31 16.265 -0.009 3.252
171 HG2 PRO 31 HG2 PRO 31 15.560 -2.585 3.260
172 HG3 PRO 31 HG1 PRO 31 15.254 -1.521 4.641
173 HD2 PRO 31 HD2 PRO 31 13.324 -2.639 2.676
174 HD3 PRO 31 HD1 PRO 31 13.061 -2.120 4.354
175 H SER 32 HN SER 32 14.648 2.822 2.217
176 HA SER 32 HA SER 32 13.402 2.982 -0.343
177 HB2 SER 32 HB2 SER 32 14.410 5.238 -0.430
178 HB3 SER 32 HB1 SER 32 13.591 4.945 1.101
179 HG SER 32 HG SER 32 15.486 4.827 2.108
180 H ASN 33 HN ASN 33 16.463 1.904 0.714
181 HA ASN 33 HA ASN 33 17.730 2.358 -1.887
182 HB2 ASN 33 HB2 ASN 33 18.753 1.280 0.743
183 HB3 ASN 33 HB1 ASN 33 19.718 1.303 -0.732
184 HD21 ASN 33 HD21 ASN 33 20.448 2.831 1.602
185 HD22 ASN 33 HD22 ASN 33 20.323 4.476 1.203
186 H ALA 34 HN ALA 34 15.581 0.224 -0.813
187 HA ALA 34 HA ALA 34 16.849 -2.257 -1.591
188 HB1 ALA 34 HB1 ALA 34 15.183 -2.412 0.116
189 HB2 ALA 34 HB2 ALA 34 14.495 -3.156 -1.328
190 HB3 ALA 34 HB3 ALA 34 14.010 -1.528 -0.860
191 H SER 35 HN SER 35 13.675 -2.091 -2.742
192 HA SER 35 HA SER 35 14.323 -1.219 -5.421
193 HB2 SER 35 HB2 SER 35 15.159 -3.495 -5.527
194 HB3 SER 35 HB1 SER 35 13.667 -4.113 -4.823
195 HG SER 35 HG SER 35 13.035 -4.231 -6.821
196 H TRP 36 HN TRP 36 12.580 -0.332 -6.301
197 HA TRP 36 HA TRP 36 10.152 -0.021 -4.936
198 HB2 TRP 36 HB2 TRP 36 10.812 0.322 -7.868
199 HB3 TRP 36 HB1 TRP 36 9.278 0.806 -7.145
200 HD1 TRP 36 HD1 TRP 36 12.832 1.890 -7.572
201 HE1 TRP 36 HE1 TRP 36 13.214 4.140 -6.372
202 HE3 TRP 36 HE3 TRP 36 8.472 2.233 -4.937
203 HZ2 TRP 36 HZ2 TRP 36 11.849 5.858 -4.536
204 HZ3 TRP 36 HZ3 TRP 36 8.039 4.185 -3.473
205 HH2 TRP 36 HH2 TRP 36 9.720 5.996 -3.269
206 H GLU 37 HN GLU 37 11.121 -2.320 -7.443
207 HA GLU 37 HA GLU 37 8.583 -3.425 -7.962
208 HB2 GLU 37 HB2 GLU 37 10.601 -3.816 -9.359
209 HB3 GLU 37 HB1 GLU 37 11.272 -4.813 -8.067
210 HG2 GLU 37 HG2 GLU 37 9.374 -6.354 -8.231
211 HG3 GLU 37 HG1 GLU 37 8.635 -5.339 -9.469
212 H GLN 38 HN GLN 38 11.126 -4.411 -5.672
213 HA GLN 38 HA GLN 38 9.652 -6.604 -4.600
214 HB2 GLN 38 HB2 GLN 38 11.986 -5.028 -3.496
215 HB3 GLN 38 HB1 GLN 38 11.346 -6.498 -2.763
216 HG2 GLN 38 HG2 GLN 38 11.807 -7.755 -4.816
217 HG3 GLN 38 HG1 GLN 38 12.392 -6.290 -5.602
218 HE21 GLN 38 HE21 GLN 38 14.357 -7.996 -5.698
219 HE22 GLN 38 HE22 GLN 38 15.479 -7.843 -4.434
220 H ALA 39 HN ALA 39 10.068 -3.221 -3.646
221 HA ALA 39 HA ALA 39 8.788 -3.327 -1.154
222 HB1 ALA 39 HB1 ALA 39 8.301 -0.874 -1.610
223 HB2 ALA 39 HB2 ALA 39 9.046 -1.113 -3.190
224 HB3 ALA 39 HB3 ALA 39 9.995 -1.351 -1.723
225 H MET 40 HN MET 40 7.477 -2.851 -4.413
226 HA MET 40 HA MET 40 4.808 -2.322 -3.638
227 HB2 MET 40 HB2 MET 40 6.046 -3.382 -6.169
228 HB3 MET 40 HB1 MET 40 4.303 -3.163 -6.002
229 HG2 MET 40 HG2 MET 40 4.609 -0.796 -5.493
230 HG3 MET 40 HG1 MET 40 6.362 -0.988 -5.529
231 HE1 MET 40 HE1 MET 40 3.338 -1.070 -8.914
232 HE2 MET 40 HE2 MET 40 3.103 -1.342 -7.190
233 HE3 MET 40 HE3 MET 40 3.691 -2.654 -8.210
234 H LYS 41 HN LYS 41 6.522 -5.321 -4.405
235 HA LYS 41 HA LYS 41 4.260 -7.027 -4.247
236 HB2 LYS 41 HB2 LYS 41 7.212 -7.583 -3.939
237 HB3 LYS 41 HB1 LYS 41 5.972 -8.838 -3.980
238 HG2 LYS 41 HG2 LYS 41 5.236 -8.059 -6.197
239 HG3 LYS 41 HG1 LYS 41 6.462 -6.790 -6.163
240 HD2 LYS 41 HD2 LYS 41 8.235 -8.499 -6.025
241 HD3 LYS 41 HD1 LYS 41 7.014 -9.771 -6.056
242 HE2 LYS 41 HE2 LYS 41 6.261 -9.006 -8.274
243 HE3 LYS 41 HE1 LYS 41 7.470 -7.723 -8.246
244 HZ1 LYS 41 HZ1 LYS 41 7.931 -10.055 -9.360
245 HZ2 LYS 41 HZ2 LYS 41 8.396 -10.450 -7.775
246 HZ3 LYS 41 HZ3 LYS 41 9.157 -9.170 -8.592
247 H MET 42 HN MET 42 6.601 -5.887 -1.871
248 HA MET 42 HA MET 42 5.957 -7.644 0.223
249 HB2 MET 42 HB2 MET 42 7.088 -4.855 0.150
250 HB3 MET 42 HB1 MET 42 6.806 -5.695 1.675
251 HG2 MET 42 HG2 MET 42 8.256 -7.529 0.981
252 HG3 MET 42 HG1 MET 42 8.467 -6.798 -0.609
253 HE1 MET 42 HE1 MET 42 8.521 -4.808 3.009
254 HE2 MET 42 HE2 MET 42 10.080 -5.506 3.438
255 HE3 MET 42 HE3 MET 42 8.723 -6.564 3.051
256 H ILE 43 HN ILE 43 4.629 -4.449 -0.590
257 HA ILE 43 HA ILE 43 2.821 -4.392 1.627
258 HB ILE 43 HB ILE 43 1.789 -2.485 0.391
259 HG12 ILE 43 HG12 ILE 43 3.957 -3.073 -1.633
260 HG13 ILE 43 HG11 ILE 43 2.254 -3.443 -1.889
261 HG21 ILE 43 HG21 ILE 43 4.483 -2.745 1.391
262 HG22 ILE 43 HG22 ILE 43 3.402 -1.356 1.485
263 HG23 ILE 43 HG23 ILE 43 4.450 -1.562 0.082
264 HD11 ILE 43 HD11 ILE 43 1.772 -0.991 -1.439
265 HD12 ILE 43 HD12 ILE 43 2.657 -1.321 -2.930
266 HD13 ILE 43 HD13 ILE 43 3.513 -0.718 -1.509
267 H ILE 44 HN ILE 44 2.671 -5.601 -1.648
268 HA ILE 44 HA ILE 44 -0.137 -5.835 -1.864
269 HB ILE 44 HB ILE 44 2.176 -7.176 -3.225
270 HG12 ILE 44 HG12 ILE 44 -0.099 -5.510 -4.330
271 HG13 ILE 44 HG11 ILE 44 1.400 -4.797 -3.738
272 HG21 ILE 44 HG21 ILE 44 0.640 -8.952 -3.264
273 HG22 ILE 44 HG22 ILE 44 0.288 -8.093 -4.762
274 HG23 ILE 44 HG23 ILE 44 -0.750 -7.872 -3.353
275 HD11 ILE 44 HD11 ILE 44 1.891 -7.030 -5.551
276 HD12 ILE 44 HD12 ILE 44 2.522 -5.384 -5.610
277 HD13 ILE 44 HD13 ILE 44 0.946 -5.752 -6.313
278 H ASN 45 HN ASN 45 2.357 -8.049 -0.674
279 HA ASN 45 HA ASN 45 0.712 -10.297 -0.279
280 HB2 ASN 45 HB2 ASN 45 3.264 -9.358 1.023
281 HB3 ASN 45 HB1 ASN 45 2.476 -10.857 1.514
282 HD21 ASN 45 HD21 ASN 45 5.065 -10.876 0.286
283 HD22 ASN 45 HD22 ASN 45 4.926 -11.591 -1.247
284 H ASP 46 HN ASP 46 1.494 -7.540 1.810
285 HA ASP 46 HA ASP 46 0.441 -8.310 4.195
286 HB2 ASP 46 HB2 ASP 46 1.483 -6.079 3.569
287 HB3 ASP 46 HB1 ASP 46 -0.138 -5.574 3.092
288 HA PRO 47 HA PRO 47 -3.768 -9.494 2.834
289 HB2 PRO 47 HB2 PRO 47 -4.126 -9.371 5.801
290 HB3 PRO 47 HB1 PRO 47 -4.610 -10.640 4.663
291 HG2 PRO 47 HG2 PRO 47 -2.482 -10.902 6.254
292 HG3 PRO 47 HG1 PRO 47 -2.519 -11.577 4.617
293 HD2 PRO 47 HD2 PRO 47 -1.032 -9.255 5.660
294 HD3 PRO 47 HD1 PRO 47 -0.670 -10.307 4.282
295 H ARG 48 HN ARG 48 -2.994 -6.977 5.202
296 HA ARG 48 HA ARG 48 -5.504 -5.697 5.286
297 HB2 ARG 48 HB2 ARG 48 -2.701 -4.648 5.707
298 HB3 ARG 48 HB1 ARG 48 -4.150 -3.684 5.993
299 HG2 ARG 48 HG2 ARG 48 -4.957 -5.365 7.606
300 HG3 ARG 48 HG1 ARG 48 -3.511 -6.335 7.321
301 HD2 ARG 48 HD2 ARG 48 -3.473 -3.482 8.338
302 HD3 ARG 48 HD1 ARG 48 -3.357 -4.903 9.372
303 HE ARG 48 HE ARG 48 -1.283 -3.852 7.626
304 HH11 ARG 48 HH21 ARG 48 -2.526 -6.527 9.433
305 HH12 ARG 48 HH22 ARG 48 -0.994 -7.322 9.575
306 HH21 ARG 48 HH11 ARG 48 0.732 -4.884 7.812
307 HH22 ARG 48 HH12 ARG 48 0.853 -6.386 8.667
308 H TYR 49 HN TYR 49 -2.830 -5.487 3.017
309 HA TYR 49 HA TYR 49 -3.565 -3.130 1.673
310 HB2 TYR 49 HB2 TYR 49 -1.399 -4.168 1.311
311 HB3 TYR 49 HB1 TYR 49 -2.166 -5.601 0.629
312 HD1 TYR 49 HD2 TYR 49 -1.958 -1.891 0.163
313 HD2 TYR 49 HD1 TYR 49 -2.569 -5.724 -1.680
314 HE1 TYR 49 HE2 TYR 49 -1.985 -0.815 -2.070
315 HE2 TYR 49 HE1 TYR 49 -2.586 -4.648 -3.915
316 HH TYR 49 HH TYR 49 -3.220 -1.945 -4.640
317 H SER 50 HN SER 50 -4.531 -6.506 1.158
318 HA SER 50 HA SER 50 -6.001 -6.168 -1.198
319 HB2 SER 50 HB2 SER 50 -6.490 -8.075 1.101
320 HB3 SER 50 HB1 SER 50 -7.215 -8.214 -0.499
321 HG SER 50 HG SER 50 -4.991 -9.250 0.204
322 H ALA 51 HN ALA 51 -6.983 -5.813 2.194
323 HA ALA 51 HA ALA 51 -9.725 -5.294 1.683
324 HB1 ALA 51 HB1 ALA 51 -8.282 -5.738 3.931
325 HB2 ALA 51 HB2 ALA 51 -9.901 -5.039 3.936
326 HB3 ALA 51 HB3 ALA 51 -8.487 -3.990 4.032
327 H LEU 52 HN LEU 52 -6.867 -3.236 1.860
328 HA LEU 52 HA LEU 52 -8.169 -0.737 1.892
329 HB2 LEU 52 HB2 LEU 52 -5.775 -0.989 2.381
330 HB3 LEU 52 HB1 LEU 52 -5.480 -1.476 0.711
331 HG LEU 52 HG LEU 52 -6.974 1.040 0.932
332 HD11 LEU 52 HD11 LEU 52 -5.547 1.282 2.928
333 HD12 LEU 52 HD12 LEU 52 -5.020 2.373 1.648
334 HD13 LEU 52 HD13 LEU 52 -4.123 0.887 1.962
335 HD21 LEU 52 HD21 LEU 52 -5.981 0.151 -1.158
336 HD22 LEU 52 HD22 LEU 52 -4.378 0.255 -0.432
337 HD23 LEU 52 HD23 LEU 52 -5.300 1.724 -0.746
338 H ALA 53 HN ALA 53 -7.095 -2.803 -0.786
339 HA ALA 53 HA ALA 53 -7.720 -1.017 -2.881
340 HB1 ALA 53 HB1 ALA 53 -7.069 -2.713 -4.243
341 HB2 ALA 53 HB2 ALA 53 -8.100 -3.891 -3.430
342 HB3 ALA 53 HB3 ALA 53 -6.534 -3.465 -2.740
343 H LYS 54 HN LYS 54 -9.639 -3.444 -1.173
344 HA LYS 54 HA LYS 54 -11.913 -3.375 -2.848
345 HB2 LYS 54 HB2 LYS 54 -11.614 -4.022 0.092
346 HB3 LYS 54 HB1 LYS 54 -13.110 -4.252 -0.816
347 HG2 LYS 54 HG2 LYS 54 -11.942 -5.754 -2.380
348 HG3 LYS 54 HG1 LYS 54 -10.438 -5.520 -1.489
349 HD2 LYS 54 HD2 LYS 54 -11.478 -6.477 0.532
350 HD3 LYS 54 HD1 LYS 54 -12.988 -6.708 -0.353
351 HE2 LYS 54 HE2 LYS 54 -11.840 -8.212 -1.932
352 HE3 LYS 54 HE1 LYS 54 -10.325 -7.977 -1.060
353 HZ1 LYS 54 HZ1 LYS 54 -12.749 -9.413 -0.218
354 HZ2 LYS 54 HZ2 LYS 54 -11.726 -8.739 0.959
355 HZ3 LYS 54 HZ3 LYS 54 -11.127 -9.900 -0.128
356 H LEU 55 HN LEU 55 -11.023 -1.493 0.022
357 HA LEU 55 HA LEU 55 -12.073 0.307 1.035
358 HB2 LEU 55 HB2 LEU 55 -11.050 0.992 -1.383
359 HB3 LEU 55 HB1 LEU 55 -12.734 1.468 -1.604
360 HG LEU 55 HG LEU 55 -12.492 2.589 0.731
361 HD11 LEU 55 HD11 LEU 55 -9.635 3.000 0.070
362 HD12 LEU 55 HD12 LEU 55 -10.035 1.397 0.688
363 HD13 LEU 55 HD13 LEU 55 -10.413 2.831 1.643
364 HD21 LEU 55 HD21 LEU 55 -12.761 4.194 -0.877
365 HD22 LEU 55 HD22 LEU 55 -11.555 3.471 -1.943
366 HD23 LEU 55 HD23 LEU 55 -11.044 4.475 -0.585
367 H SER 56 HN SER 56 -13.840 -1.979 0.136
368 HA SER 56 HA SER 56 -16.371 -0.532 0.459
369 HB2 SER 56 HB2 SER 56 -15.671 -2.340 -1.837
370 HB3 SER 56 HB1 SER 56 -17.338 -2.185 -1.291
371 HG SER 56 HG SER 56 -17.077 -0.602 -2.777
Start of MODEL 5
1 H THR 13 HN THR 13 -11.123 12.057 -6.651
2 HA THR 13 HA THR 13 -9.620 13.687 -4.774
3 HB THR 13 HB THR 13 -11.257 12.644 -3.119
4 HG1 THR 13 HG1 THR 13 -12.079 11.520 -5.563
5 HG21 THR 13 HG21 THR 13 -11.609 14.864 -4.101
6 HG22 THR 13 HG22 THR 13 -13.144 14.007 -3.971
7 HG23 THR 13 HG23 THR 13 -12.333 14.131 -5.532
8 H LYS 14 HN LYS 14 -8.529 11.197 -6.198
9 HA LYS 14 HA LYS 14 -8.091 9.247 -4.145
10 HB2 LYS 14 HB2 LYS 14 -6.165 8.628 -5.843
11 HB3 LYS 14 HB1 LYS 14 -7.852 8.310 -6.245
12 HG2 LYS 14 HG2 LYS 14 -7.998 10.205 -7.653
13 HG3 LYS 14 HG1 LYS 14 -6.539 10.926 -6.973
14 HD2 LYS 14 HD2 LYS 14 -5.196 9.071 -7.937
15 HD3 LYS 14 HD1 LYS 14 -6.661 8.413 -8.667
16 HE2 LYS 14 HE2 LYS 14 -6.455 11.213 -9.306
17 HE3 LYS 14 HE1 LYS 14 -4.950 10.403 -9.737
18 HZ1 LYS 14 HZ1 LYS 14 -7.167 10.413 -11.252
19 HZ2 LYS 14 HZ2 LYS 14 -7.337 8.937 -10.428
20 HZ3 LYS 14 HZ3 LYS 14 -5.942 9.244 -11.350
21 H GLU 15 HN GLU 15 -7.266 12.226 -3.874
22 HA GLU 15 HA GLU 15 -4.441 12.304 -3.639
23 HB2 GLU 15 HB2 GLU 15 -6.610 13.966 -2.341
24 HB3 GLU 15 HB1 GLU 15 -4.887 14.316 -2.200
25 HG2 GLU 15 HG2 GLU 15 -4.697 14.532 -4.628
26 HG3 GLU 15 HG1 GLU 15 -6.393 14.090 -4.821
27 H GLU 16 HN GLU 16 -7.026 11.447 -1.394
28 HA GLU 16 HA GLU 16 -5.433 11.311 0.946
29 HB2 GLU 16 HB2 GLU 16 -7.916 11.395 0.956
30 HB3 GLU 16 HB1 GLU 16 -7.951 9.761 0.294
31 HG2 GLU 16 HG2 GLU 16 -6.760 8.910 2.261
32 HG3 GLU 16 HG1 GLU 16 -6.643 10.542 2.916
33 H ALA 17 HN ALA 17 -6.242 8.956 -1.562
34 HA ALA 17 HA ALA 17 -5.148 6.676 -0.299
35 HB1 ALA 17 HB1 ALA 17 -6.571 6.291 -2.154
36 HB2 ALA 17 HB2 ALA 17 -4.960 5.833 -2.709
37 HB3 ALA 17 HB3 ALA 17 -5.650 7.384 -3.187
38 H LYS 18 HN LYS 18 -3.738 9.167 -2.364
39 HA LYS 18 HA LYS 18 -1.229 7.941 -2.784
40 HB2 LYS 18 HB2 LYS 18 -2.051 10.851 -2.741
41 HB3 LYS 18 HB1 LYS 18 -0.450 10.293 -3.230
42 HG2 LYS 18 HG2 LYS 18 -1.454 8.910 -4.998
43 HG3 LYS 18 HG1 LYS 18 -3.065 9.430 -4.503
44 HD2 LYS 18 HD2 LYS 18 -2.431 11.784 -4.989
45 HD3 LYS 18 HD1 LYS 18 -0.858 11.223 -5.554
46 HE2 LYS 18 HE2 LYS 18 -3.503 10.305 -6.714
47 HE3 LYS 18 HE1 LYS 18 -2.508 11.585 -7.410
48 HZ1 LYS 18 HZ1 LYS 18 -1.960 9.582 -8.517
49 HZ2 LYS 18 HZ2 LYS 18 -1.790 8.729 -7.057
50 HZ3 LYS 18 HZ3 LYS 18 -0.663 9.929 -7.479
51 H GLN 19 HN GLN 19 -2.425 10.097 -0.242
52 HA GLN 19 HA GLN 19 0.034 10.493 1.088
53 HB2 GLN 19 HB2 GLN 19 -2.816 10.548 2.102
54 HB3 GLN 19 HB1 GLN 19 -1.422 11.045 3.063
55 HG2 GLN 19 HG2 GLN 19 -0.851 12.750 1.398
56 HG3 GLN 19 HG1 GLN 19 -2.193 12.229 0.381
57 HE21 GLN 19 HE21 GLN 19 -2.587 14.757 0.880
58 HE22 GLN 19 HE22 GLN 19 -3.623 15.056 2.191
59 H ALA 20 HN ALA 20 -2.471 8.012 1.416
60 HA ALA 20 HA ALA 20 -1.415 6.730 3.701
61 HB1 ALA 20 HB1 ALA 20 -3.418 5.748 3.408
62 HB2 ALA 20 HB2 ALA 20 -2.634 4.731 2.198
63 HB3 ALA 20 HB3 ALA 20 -3.470 6.205 1.705
64 H PHE 21 HN PHE 21 -0.782 6.346 0.247
65 HA PHE 21 HA PHE 21 0.769 4.002 0.369
66 HB2 PHE 21 HB2 PHE 21 -0.065 4.948 -1.741
67 HB3 PHE 21 HB1 PHE 21 1.006 6.336 -1.546
68 HD1 PHE 21 HD2 PHE 21 1.028 2.601 -1.761
69 HD2 PHE 21 HD1 PHE 21 3.221 6.250 -2.335
70 HE1 PHE 21 HE2 PHE 21 2.875 1.325 -2.815
71 HE2 PHE 21 HE1 PHE 21 5.068 4.974 -3.389
72 HZ PHE 21 HZ PHE 21 4.895 2.512 -3.628
73 H LYS 22 HN LYS 22 1.722 7.425 0.555
74 HA LYS 22 HA LYS 22 4.502 6.973 0.787
75 HB2 LYS 22 HB2 LYS 22 2.765 9.271 1.712
76 HB3 LYS 22 HB1 LYS 22 4.528 9.287 1.774
77 HG2 LYS 22 HG2 LYS 22 4.627 8.911 -0.659
78 HG3 LYS 22 HG1 LYS 22 2.864 8.882 -0.729
79 HD2 LYS 22 HD2 LYS 22 2.787 11.196 0.121
80 HD3 LYS 22 HD1 LYS 22 4.549 11.228 0.195
81 HE2 LYS 22 HE2 LYS 22 4.666 10.851 -2.238
82 HE3 LYS 22 HE1 LYS 22 2.905 10.806 -2.318
83 HZ1 LYS 22 HZ1 LYS 22 4.610 13.103 -1.534
84 HZ2 LYS 22 HZ2 LYS 22 2.920 13.079 -1.351
85 HZ3 LYS 22 HZ3 LYS 22 3.612 12.983 -2.900
86 H GLU 23 HN GLU 23 1.934 7.300 3.211
87 HA GLU 23 HA GLU 23 3.630 7.210 5.484
88 HB2 GLU 23 HB2 GLU 23 0.707 6.523 5.128
89 HB3 GLU 23 HB1 GLU 23 1.519 6.567 6.693
90 HG2 GLU 23 HG2 GLU 23 2.106 8.917 6.361
91 HG3 GLU 23 HG1 GLU 23 1.392 8.890 4.750
92 H LEU 24 HN LEU 24 1.995 4.717 3.591
93 HA LEU 24 HA LEU 24 2.505 2.539 5.310
94 HB2 LEU 24 HB2 LEU 24 1.964 2.793 2.363
95 HB3 LEU 24 HB1 LEU 24 2.336 1.222 3.074
96 HG LEU 24 HG LEU 24 0.173 3.061 4.132
97 HD11 LEU 24 HD11 LEU 24 -0.302 2.354 1.794
98 HD12 LEU 24 HD12 LEU 24 -1.436 1.654 2.949
99 HD13 LEU 24 HD13 LEU 24 -0.129 0.671 2.292
100 HD21 LEU 24 HD21 LEU 24 -0.393 0.370 4.693
101 HD22 LEU 24 HD22 LEU 24 0.189 1.578 5.834
102 HD23 LEU 24 HD23 LEU 24 1.338 0.533 5.001
103 H LEU 25 HN LEU 25 4.377 3.941 2.653
104 HA LEU 25 HA LEU 25 6.424 1.998 2.601
105 HB2 LEU 25 HB2 LEU 25 6.401 4.921 1.828
106 HB3 LEU 25 HB1 LEU 25 7.774 3.854 1.528
107 HG LEU 25 HG LEU 25 4.950 3.313 0.560
108 HD11 LEU 25 HD11 LEU 25 7.202 4.868 -0.603
109 HD12 LEU 25 HD12 LEU 25 5.463 5.059 -0.832
110 HD13 LEU 25 HD13 LEU 25 6.333 3.792 -1.698
111 HD21 LEU 25 HD21 LEU 25 5.899 1.231 0.424
112 HD22 LEU 25 HD22 LEU 25 7.547 1.859 0.426
113 HD23 LEU 25 HD23 LEU 25 6.591 1.889 -1.057
114 H LYS 26 HN LYS 26 6.076 5.024 4.409
115 HA LYS 26 HA LYS 26 8.643 5.008 5.595
116 HB2 LYS 26 HB2 LYS 26 6.027 6.227 6.497
117 HB3 LYS 26 HB1 LYS 26 7.572 6.517 7.299
118 HG2 LYS 26 HG2 LYS 26 8.509 7.394 5.196
119 HG3 LYS 26 HG1 LYS 26 6.971 7.097 4.383
120 HD2 LYS 26 HD2 LYS 26 5.846 8.651 5.933
121 HD3 LYS 26 HD1 LYS 26 7.381 8.949 6.749
122 HE2 LYS 26 HE2 LYS 26 8.334 9.831 4.654
123 HE3 LYS 26 HE1 LYS 26 6.806 9.525 3.827
124 HZ1 LYS 26 HZ1 LYS 26 6.630 11.076 6.272
125 HZ2 LYS 26 HZ2 LYS 26 5.828 11.286 4.789
126 HZ3 LYS 26 HZ3 LYS 26 7.422 11.841 4.982
127 H GLU 27 HN GLU 27 5.527 3.682 6.646
128 HA GLU 27 HA GLU 27 6.413 2.789 9.191
129 HB2 GLU 27 HB2 GLU 27 4.024 3.076 8.575
130 HB3 GLU 27 HB1 GLU 27 4.161 1.690 7.493
131 HG2 GLU 27 HG2 GLU 27 4.762 0.243 9.378
132 HG3 GLU 27 HG1 GLU 27 4.708 1.621 10.475
133 H LYS 28 HN LYS 28 6.320 1.290 5.995
134 HA LYS 28 HA LYS 28 7.397 -1.214 7.054
135 HB2 LYS 28 HB2 LYS 28 6.568 -0.368 4.270
136 HB3 LYS 28 HB1 LYS 28 7.214 -1.960 4.670
137 HG2 LYS 28 HG2 LYS 28 5.374 -2.318 6.268
138 HG3 LYS 28 HG1 LYS 28 4.727 -0.722 5.886
139 HD2 LYS 28 HD2 LYS 28 4.421 -1.402 3.535
140 HD3 LYS 28 HD1 LYS 28 5.068 -3.000 3.913
141 HE2 LYS 28 HE2 LYS 28 3.232 -3.374 5.513
142 HE3 LYS 28 HE1 LYS 28 2.587 -1.773 5.153
143 HZ1 LYS 28 HZ1 LYS 28 1.378 -3.215 3.805
144 HZ2 LYS 28 HZ2 LYS 28 2.744 -4.132 3.381
145 HZ3 LYS 28 HZ3 LYS 28 2.542 -2.566 2.756
146 H ARG 29 HN ARG 29 9.378 -2.112 6.335
147 HA ARG 29 HA ARG 29 11.494 -0.198 6.073
148 HB2 ARG 29 HB2 ARG 29 11.477 -3.219 5.899
149 HB3 ARG 29 HB1 ARG 29 12.939 -2.231 5.893
150 HG2 ARG 29 HG2 ARG 29 12.317 -1.292 8.089
151 HG3 ARG 29 HG1 ARG 29 10.856 -2.283 8.098
152 HD2 ARG 29 HD2 ARG 29 13.669 -3.395 7.918
153 HD3 ARG 29 HD1 ARG 29 12.739 -3.286 9.410
154 HE ARG 29 HE ARG 29 12.331 -5.181 7.247
155 HH11 ARG 29 HH21 ARG 29 11.046 -3.579 10.032
156 HH12 ARG 29 HH22 ARG 29 9.846 -4.789 10.345
157 HH21 ARG 29 HH11 ARG 29 10.774 -6.780 7.663
158 HH22 ARG 29 HH12 ARG 29 9.694 -6.602 9.006
159 H VAL 30 HN VAL 30 12.787 0.250 4.318
160 HA VAL 30 HA VAL 30 12.192 -1.048 1.757
161 HB VAL 30 HB VAL 30 12.004 1.934 2.243
162 HG11 VAL 30 HG11 VAL 30 12.594 0.334 -0.169
163 HG12 VAL 30 HG12 VAL 30 12.876 2.047 0.143
164 HG13 VAL 30 HG13 VAL 30 11.280 1.494 -0.364
165 HG21 VAL 30 HG21 VAL 30 9.960 0.727 2.803
166 HG22 VAL 30 HG22 VAL 30 10.032 -0.166 1.284
167 HG23 VAL 30 HG23 VAL 30 9.720 1.569 1.273
168 HA PRO 31 HA PRO 31 16.735 -0.418 2.827
169 HB2 PRO 31 HB2 PRO 31 16.714 -2.856 1.102
170 HB3 PRO 31 HB1 PRO 31 17.633 -2.535 2.585
171 HG2 PRO 31 HG2 PRO 31 15.489 -4.130 2.565
172 HG3 PRO 31 HG1 PRO 31 15.882 -3.096 3.949
173 HD2 PRO 31 HD2 PRO 31 13.709 -2.800 1.946
174 HD3 PRO 31 HD1 PRO 31 13.789 -2.218 3.622
175 H SER 32 HN SER 32 18.145 0.658 1.535
176 HA SER 32 HA SER 32 17.336 1.686 -0.957
177 HB2 SER 32 HB2 SER 32 19.652 2.534 -1.127
178 HB3 SER 32 HB1 SER 32 18.958 2.841 0.463
179 HG SER 32 HG SER 32 20.186 1.260 1.315
180 H ASN 33 HN ASN 33 19.247 -1.117 -0.072
181 HA ASN 33 HA ASN 33 20.385 -1.683 -2.589
182 HB2 ASN 33 HB2 ASN 33 19.673 -3.404 -0.219
183 HB3 ASN 33 HB1 ASN 33 20.391 -4.089 -1.677
184 HD21 ASN 33 HD21 ASN 33 21.782 -4.107 0.838
185 HD22 ASN 33 HD22 ASN 33 23.126 -3.079 0.707
186 H ALA 34 HN ALA 34 17.273 -2.570 -1.153
187 HA ALA 34 HA ALA 34 16.393 -4.385 -3.092
188 HB1 ALA 34 HB1 ALA 34 15.324 -3.628 -0.823
189 HB2 ALA 34 HB2 ALA 34 14.284 -4.167 -2.141
190 HB3 ALA 34 HB3 ALA 34 14.488 -2.444 -1.829
191 H SER 35 HN SER 35 13.896 -3.073 -3.904
192 HA SER 35 HA SER 35 14.637 -0.856 -5.584
193 HB2 SER 35 HB2 SER 35 13.954 -2.081 -7.673
194 HB3 SER 35 HB1 SER 35 15.476 -2.633 -6.977
195 HG SER 35 HG SER 35 12.939 -3.808 -6.467
196 H TRP 36 HN TRP 36 12.766 -0.143 -6.861
197 HA TRP 36 HA TRP 36 10.457 0.167 -5.305
198 HB2 TRP 36 HB2 TRP 36 10.875 0.521 -8.283
199 HB3 TRP 36 HB1 TRP 36 9.396 0.987 -7.443
200 HD1 TRP 36 HD1 TRP 36 12.864 2.141 -8.183
201 HE1 TRP 36 HE1 TRP 36 13.322 4.383 -6.996
202 HE3 TRP 36 HE3 TRP 36 8.786 2.362 -5.118
203 HZ2 TRP 36 HZ2 TRP 36 12.116 6.050 -5.008
204 HZ3 TRP 36 HZ3 TRP 36 8.465 4.286 -3.589
205 HH2 TRP 36 HH2 TRP 36 10.123 6.129 -3.530
206 H GLU 37 HN GLU 37 11.189 -2.112 -7.910
207 HA GLU 37 HA GLU 37 8.611 -3.229 -8.172
208 HB2 GLU 37 HB2 GLU 37 11.340 -4.466 -8.622
209 HB3 GLU 37 HB1 GLU 37 9.816 -5.185 -9.145
210 HG2 GLU 37 HG2 GLU 37 10.778 -2.431 -9.971
211 HG3 GLU 37 HG1 GLU 37 10.964 -3.883 -10.952
212 H GLN 38 HN GLN 38 11.368 -4.141 -6.125
213 HA GLN 38 HA GLN 38 10.065 -6.381 -4.928
214 HB2 GLN 38 HB2 GLN 38 12.445 -4.726 -4.067
215 HB3 GLN 38 HB1 GLN 38 11.902 -6.175 -3.221
216 HG2 GLN 38 HG2 GLN 38 12.206 -7.509 -5.250
217 HG3 GLN 38 HG1 GLN 38 12.669 -6.067 -6.152
218 HE21 GLN 38 HE21 GLN 38 13.964 -8.694 -4.502
219 HE22 GLN 38 HE22 GLN 38 15.497 -8.051 -4.158
220 H ALA 39 HN ALA 39 10.422 -2.972 -4.053
221 HA ALA 39 HA ALA 39 9.335 -3.114 -1.458
222 HB1 ALA 39 HB1 ALA 39 10.036 -0.988 -1.576
223 HB2 ALA 39 HB2 ALA 39 8.592 -0.627 -2.522
224 HB3 ALA 39 HB3 ALA 39 10.097 -1.054 -3.338
225 H MET 40 HN MET 40 7.829 -2.727 -4.629
226 HA MET 40 HA MET 40 5.199 -2.205 -3.697
227 HB2 MET 40 HB2 MET 40 6.300 -3.281 -6.285
228 HB3 MET 40 HB1 MET 40 4.567 -3.099 -6.017
229 HG2 MET 40 HG2 MET 40 4.843 -0.717 -5.571
230 HG3 MET 40 HG1 MET 40 6.595 -0.868 -5.701
231 HE1 MET 40 HE1 MET 40 3.392 -1.089 -8.911
232 HE2 MET 40 HE2 MET 40 3.259 -1.333 -7.172
233 HE3 MET 40 HE3 MET 40 3.825 -2.649 -8.198
234 H LYS 41 HN LYS 41 6.926 -5.189 -4.477
235 HA LYS 41 HA LYS 41 4.693 -6.925 -4.173
236 HB2 LYS 41 HB2 LYS 41 7.671 -7.420 -3.980
237 HB3 LYS 41 HB1 LYS 41 6.458 -8.700 -3.928
238 HG2 LYS 41 HG2 LYS 41 5.613 -8.003 -6.134
239 HG3 LYS 41 HG1 LYS 41 6.811 -6.710 -6.189
240 HD2 LYS 41 HD2 LYS 41 8.625 -8.378 -6.078
241 HD3 LYS 41 HD1 LYS 41 7.430 -9.675 -6.021
242 HE2 LYS 41 HE2 LYS 41 6.569 -8.988 -8.226
243 HE3 LYS 41 HE1 LYS 41 7.753 -7.682 -8.286
244 HZ1 LYS 41 HZ1 LYS 41 8.123 -10.543 -8.648
245 HZ2 LYS 41 HZ2 LYS 41 9.343 -9.737 -7.783
246 HZ3 LYS 41 HZ3 LYS 41 8.948 -9.242 -9.359
247 H MET 42 HN MET 42 7.007 -5.541 -1.928
248 HA MET 42 HA MET 42 6.601 -7.271 0.254
249 HB2 MET 42 HB2 MET 42 7.456 -4.391 0.037
250 HB3 MET 42 HB1 MET 42 7.298 -5.188 1.600
251 HG2 MET 42 HG2 MET 42 8.958 -6.301 -0.671
252 HG3 MET 42 HG1 MET 42 9.622 -5.273 0.598
253 HE1 MET 42 HE1 MET 42 10.742 -6.140 2.469
254 HE2 MET 42 HE2 MET 42 10.035 -7.293 3.598
255 HE3 MET 42 HE3 MET 42 9.166 -5.812 3.204
256 H ILE 43 HN ILE 43 4.948 -4.259 -0.653
257 HA ILE 43 HA ILE 43 3.183 -4.305 1.607
258 HB ILE 43 HB ILE 43 1.965 -2.523 0.354
259 HG12 ILE 43 HG12 ILE 43 4.162 -2.863 -1.697
260 HG13 ILE 43 HG11 ILE 43 2.543 -3.525 -1.918
261 HG21 ILE 43 HG21 ILE 43 4.676 -2.520 1.328
262 HG22 ILE 43 HG22 ILE 43 3.484 -1.223 1.390
263 HG23 ILE 43 HG23 ILE 43 4.539 -1.382 -0.013
264 HD11 ILE 43 HD11 ILE 43 3.296 -0.615 -1.573
265 HD12 ILE 43 HD12 ILE 43 1.634 -1.204 -1.563
266 HD13 ILE 43 HD13 ILE 43 2.624 -1.376 -3.013
267 H ILE 44 HN ILE 44 3.158 -5.694 -1.580
268 HA ILE 44 HA ILE 44 0.382 -6.123 -1.858
269 HB ILE 44 HB ILE 44 2.781 -7.569 -2.980
270 HG12 ILE 44 HG12 ILE 44 1.929 -5.115 -3.580
271 HG13 ILE 44 HG11 ILE 44 2.521 -6.204 -4.834
272 HG21 ILE 44 HG21 ILE 44 -0.167 -8.083 -3.360
273 HG22 ILE 44 HG22 ILE 44 1.118 -9.242 -3.017
274 HG23 ILE 44 HG23 ILE 44 1.005 -8.495 -4.611
275 HD11 ILE 44 HD11 ILE 44 -0.396 -6.125 -4.063
276 HD12 ILE 44 HD12 ILE 44 0.331 -6.747 -5.545
277 HD13 ILE 44 HD13 ILE 44 0.273 -5.009 -5.255
278 H ASN 45 HN ASN 45 2.950 -8.098 -0.415
279 HA ASN 45 HA ASN 45 1.358 -10.366 0.149
280 HB2 ASN 45 HB2 ASN 45 3.896 -9.270 1.350
281 HB3 ASN 45 HB1 ASN 45 3.145 -10.740 1.968
282 HD21 ASN 45 HD21 ASN 45 5.727 -10.787 0.714
283 HD22 ASN 45 HD22 ASN 45 5.592 -11.625 -0.758
284 H ASP 46 HN ASP 46 2.090 -7.429 1.995
285 HA ASP 46 HA ASP 46 1.144 -7.939 4.455
286 HB2 ASP 46 HB2 ASP 46 1.614 -5.626 2.997
287 HB3 ASP 46 HB1 ASP 46 -0.059 -5.469 3.533
288 HA PRO 47 HA PRO 47 -2.939 -9.747 3.403
289 HB2 PRO 47 HB2 PRO 47 -3.163 -9.420 6.367
290 HB3 PRO 47 HB1 PRO 47 -3.550 -10.827 5.360
291 HG2 PRO 47 HG2 PRO 47 -1.330 -10.713 6.838
292 HG3 PRO 47 HG1 PRO 47 -1.366 -11.521 5.262
293 HD2 PRO 47 HD2 PRO 47 -0.115 -8.963 6.037
294 HD3 PRO 47 HD1 PRO 47 0.305 -10.074 4.722
295 H ARG 48 HN ARG 48 -2.364 -6.984 5.542
296 HA ARG 48 HA ARG 48 -5.026 -5.999 5.579
297 HB2 ARG 48 HB2 ARG 48 -2.361 -4.647 6.035
298 HB3 ARG 48 HB1 ARG 48 -3.914 -3.838 6.257
299 HG2 ARG 48 HG2 ARG 48 -4.581 -5.532 7.908
300 HG3 ARG 48 HG1 ARG 48 -3.049 -6.375 7.674
301 HD2 ARG 48 HD2 ARG 48 -1.831 -4.365 8.434
302 HD3 ARG 48 HD1 ARG 48 -3.362 -3.535 8.686
303 HE ARG 48 HE ARG 48 -2.213 -5.612 10.370
304 HH11 ARG 48 HH21 ARG 48 -4.974 -3.734 9.455
305 HH12 ARG 48 HH22 ARG 48 -5.835 -4.029 10.929
306 HH21 ARG 48 HH11 ARG 48 -3.316 -5.962 12.323
307 HH22 ARG 48 HH12 ARG 48 -4.889 -5.277 12.559
308 H TYR 49 HN TYR 49 -2.639 -6.039 3.151
309 HA TYR 49 HA TYR 49 -3.101 -3.669 1.748
310 HB2 TYR 49 HB2 TYR 49 -1.281 -5.169 1.152
311 HB3 TYR 49 HB1 TYR 49 -2.429 -6.424 0.686
312 HD1 TYR 49 HD2 TYR 49 -1.288 -2.967 -0.116
313 HD2 TYR 49 HD1 TYR 49 -3.431 -6.436 -1.466
314 HE1 TYR 49 HE2 TYR 49 -1.436 -1.990 -2.391
315 HE2 TYR 49 HE1 TYR 49 -3.578 -5.459 -3.741
316 HH TYR 49 HH TYR 49 -3.487 -2.775 -4.597
317 H SER 50 HN SER 50 -4.847 -6.750 1.687
318 HA SER 50 HA SER 50 -6.541 -6.259 -0.484
319 HB2 SER 50 HB2 SER 50 -8.009 -7.938 0.494
320 HB3 SER 50 HB1 SER 50 -6.332 -8.439 0.695
321 HG SER 50 HG SER 50 -8.179 -8.039 2.562
322 H ALA 51 HN ALA 51 -6.566 -4.982 2.752
323 HA ALA 51 HA ALA 51 -9.261 -4.119 2.875
324 HB1 ALA 51 HB1 ALA 51 -8.667 -3.113 4.840
325 HB2 ALA 51 HB2 ALA 51 -7.165 -2.466 4.179
326 HB3 ALA 51 HB3 ALA 51 -7.257 -4.160 4.662
327 H LEU 52 HN LEU 52 -6.341 -2.695 1.508
328 HA LEU 52 HA LEU 52 -7.328 -0.093 1.052
329 HB2 LEU 52 HB2 LEU 52 -5.223 -1.728 -0.374
330 HB3 LEU 52 HB1 LEU 52 -5.543 -0.034 -0.749
331 HG LEU 52 HG LEU 52 -4.876 -1.051 2.029
332 HD11 LEU 52 HD11 LEU 52 -2.766 0.525 1.053
333 HD12 LEU 52 HD12 LEU 52 -3.163 -0.581 -0.262
334 HD13 LEU 52 HD13 LEU 52 -2.745 -1.217 1.329
335 HD21 LEU 52 HD21 LEU 52 -4.164 1.615 1.835
336 HD22 LEU 52 HD22 LEU 52 -5.651 1.013 2.563
337 HD23 LEU 52 HD23 LEU 52 -5.650 1.550 0.884
338 H ALA 53 HN ALA 53 -7.411 -3.025 -0.939
339 HA ALA 53 HA ALA 53 -8.566 -1.832 -3.232
340 HB1 ALA 53 HB1 ALA 53 -7.458 -4.102 -3.110
341 HB2 ALA 53 HB2 ALA 53 -8.992 -4.067 -3.980
342 HB3 ALA 53 HB3 ALA 53 -8.928 -4.694 -2.333
343 H LYS 54 HN LYS 54 -9.956 -3.325 -0.343
344 HA LYS 54 HA LYS 54 -12.651 -3.344 -1.193
345 HB2 LYS 54 HB2 LYS 54 -11.426 -3.201 1.570
346 HB3 LYS 54 HB1 LYS 54 -13.152 -3.417 1.272
347 HG2 LYS 54 HG2 LYS 54 -12.683 -5.464 -0.016
348 HG3 LYS 54 HG1 LYS 54 -10.955 -5.249 0.262
349 HD2 LYS 54 HD2 LYS 54 -11.317 -5.426 2.694
350 HD3 LYS 54 HD1 LYS 54 -13.047 -5.637 2.423
351 HE2 LYS 54 HE2 LYS 54 -12.602 -7.686 1.127
352 HE3 LYS 54 HE1 LYS 54 -10.870 -7.476 1.386
353 HZ1 LYS 54 HZ1 LYS 54 -11.502 -8.940 3.047
354 HZ2 LYS 54 HZ2 LYS 54 -12.966 -8.135 3.356
355 HZ3 LYS 54 HZ3 LYS 54 -11.493 -7.446 3.851
356 H LEU 55 HN LEU 55 -10.724 -0.922 0.538
357 HA LEU 55 HA LEU 55 -11.247 1.233 1.201
358 HB2 LEU 55 HB2 LEU 55 -11.061 1.048 -1.502
359 HB3 LEU 55 HB1 LEU 55 -12.681 1.726 -1.338
360 HG LEU 55 HG LEU 55 -11.575 3.381 0.339
361 HD11 LEU 55 HD11 LEU 55 -9.300 3.502 0.451
362 HD12 LEU 55 HD12 LEU 55 -9.096 3.103 -1.254
363 HD13 LEU 55 HD13 LEU 55 -9.374 1.820 -0.076
364 HD21 LEU 55 HD21 LEU 55 -11.548 3.331 -2.628
365 HD22 LEU 55 HD22 LEU 55 -10.537 4.565 -1.874
366 HD23 LEU 55 HD23 LEU 55 -12.266 4.508 -1.529
367 H SER 56 HN SER 56 -13.373 -0.892 1.615
368 HA SER 56 HA SER 56 -15.505 0.975 2.319
369 HB2 SER 56 HB2 SER 56 -16.125 0.178 0.067
370 HB3 SER 56 HB1 SER 56 -16.020 -1.486 0.632
371 HG SER 56 HG SER 56 -17.602 -0.792 2.270
Start of MODEL 6
1 H THR 13 HN THR 13 -7.410 14.998 -7.225
2 HA THR 13 HA THR 13 -9.412 14.615 -5.099
3 HB THR 13 HB THR 13 -10.479 13.044 -6.573
4 HG1 THR 13 HG1 THR 13 -8.215 13.415 -8.240
5 HG21 THR 13 HG21 THR 13 -9.873 14.871 -8.738
6 HG22 THR 13 HG22 THR 13 -10.053 15.747 -7.217
7 HG23 THR 13 HG23 THR 13 -11.358 14.714 -7.799
8 H LYS 14 HN LYS 14 -9.726 12.280 -4.426
9 HA LYS 14 HA LYS 14 -8.812 10.611 -3.106
10 HB2 LYS 14 HB2 LYS 14 -6.932 9.956 -5.321
11 HB3 LYS 14 HB1 LYS 14 -8.025 8.904 -4.421
12 HG2 LYS 14 HG2 LYS 14 -9.951 10.024 -5.589
13 HG3 LYS 14 HG1 LYS 14 -8.779 10.884 -6.586
14 HD2 LYS 14 HD2 LYS 14 -7.961 8.215 -6.711
15 HD3 LYS 14 HD1 LYS 14 -9.720 8.138 -6.812
16 HE2 LYS 14 HE2 LYS 14 -8.692 8.390 -9.053
17 HE3 LYS 14 HE1 LYS 14 -9.707 9.772 -8.645
18 HZ1 LYS 14 HZ1 LYS 14 -7.275 10.074 -9.553
19 HZ2 LYS 14 HZ2 LYS 14 -6.879 9.889 -7.912
20 HZ3 LYS 14 HZ3 LYS 14 -7.925 11.135 -8.401
21 H GLU 15 HN GLU 15 -7.537 13.158 -2.737
22 HA GLU 15 HA GLU 15 -4.708 12.945 -2.761
23 HB2 GLU 15 HB2 GLU 15 -6.581 14.676 -1.133
24 HB3 GLU 15 HB1 GLU 15 -4.824 14.844 -1.116
25 HG2 GLU 15 HG2 GLU 15 -4.811 15.271 -3.525
26 HG3 GLU 15 HG1 GLU 15 -6.554 15.016 -3.601
27 H GLU 16 HN GLU 16 -7.172 12.174 -0.346
28 HA GLU 16 HA GLU 16 -5.407 11.648 1.805
29 HB2 GLU 16 HB2 GLU 16 -8.187 10.621 1.196
30 HB3 GLU 16 HB1 GLU 16 -7.342 10.324 2.716
31 HG2 GLU 16 HG2 GLU 16 -7.170 12.727 3.131
32 HG3 GLU 16 HG1 GLU 16 -7.925 13.071 1.575
33 H ALA 17 HN ALA 17 -6.805 9.559 -0.701
34 HA ALA 17 HA ALA 17 -5.722 7.126 0.270
35 HB1 ALA 17 HB1 ALA 17 -7.274 6.561 -1.280
36 HB2 ALA 17 HB2 ALA 17 -5.941 6.724 -2.426
37 HB3 ALA 17 HB3 ALA 17 -7.059 8.065 -2.179
38 H LYS 18 HN LYS 18 -4.509 9.589 -1.951
39 HA LYS 18 HA LYS 18 -2.250 8.179 -2.888
40 HB2 LYS 18 HB2 LYS 18 -3.139 10.255 -3.925
41 HB3 LYS 18 HB1 LYS 18 -2.557 11.168 -2.532
42 HG2 LYS 18 HG2 LYS 18 -0.259 10.484 -2.996
43 HG3 LYS 18 HG1 LYS 18 -0.805 9.472 -4.334
44 HD2 LYS 18 HD2 LYS 18 -1.688 11.479 -5.481
45 HD3 LYS 18 HD1 LYS 18 -1.105 12.486 -4.155
46 HE2 LYS 18 HE2 LYS 18 0.682 10.686 -5.814
47 HE3 LYS 18 HE1 LYS 18 0.455 12.407 -6.130
48 HZ1 LYS 18 HZ1 LYS 18 2.389 11.566 -4.612
49 HZ2 LYS 18 HZ2 LYS 18 1.179 11.566 -3.419
50 HZ3 LYS 18 HZ3 LYS 18 1.561 13.000 -4.245
51 H GLN 19 HN GLN 19 -2.701 10.359 -0.128
52 HA GLN 19 HA GLN 19 -0.001 10.401 0.711
53 HB2 GLN 19 HB2 GLN 19 -2.585 10.854 2.209
54 HB3 GLN 19 HB1 GLN 19 -0.991 11.093 2.928
55 HG2 GLN 19 HG2 GLN 19 -0.433 12.747 1.216
56 HG3 GLN 19 HG1 GLN 19 -1.975 12.470 0.412
57 HE21 GLN 19 HE21 GLN 19 -0.450 14.530 2.585
58 HE22 GLN 19 HE22 GLN 19 -1.825 15.145 3.366
59 H ALA 20 HN ALA 20 -2.581 8.103 1.146
60 HA ALA 20 HA ALA 20 -1.635 6.714 3.397
61 HB1 ALA 20 HB1 ALA 20 -2.824 4.983 1.369
62 HB2 ALA 20 HB2 ALA 20 -3.764 6.451 1.637
63 HB3 ALA 20 HB3 ALA 20 -3.401 5.378 2.988
64 H PHE 21 HN PHE 21 -0.827 6.433 -0.034
65 HA PHE 21 HA PHE 21 0.712 4.081 0.103
66 HB2 PHE 21 HB2 PHE 21 -0.018 5.075 -2.021
67 HB3 PHE 21 HB1 PHE 21 1.037 6.460 -1.741
68 HD1 PHE 21 HD1 PHE 21 1.079 2.732 -2.046
69 HD2 PHE 21 HD2 PHE 21 3.289 6.398 -2.420
70 HE1 PHE 21 HE1 PHE 21 2.980 1.486 -3.036
71 HE2 PHE 21 HE2 PHE 21 5.191 5.150 -3.410
72 HZ PHE 21 HZ PHE 21 5.036 2.693 -3.718
73 H LYS 22 HN LYS 22 1.657 7.497 0.413
74 HA LYS 22 HA LYS 22 4.421 7.034 0.773
75 HB2 LYS 22 HB2 LYS 22 2.640 9.317 1.639
76 HB3 LYS 22 HB1 LYS 22 4.395 9.327 1.817
77 HG2 LYS 22 HG2 LYS 22 4.648 8.990 -0.614
78 HG3 LYS 22 HG1 LYS 22 2.894 8.984 -0.795
79 HD2 LYS 22 HD2 LYS 22 2.762 11.278 0.039
80 HD3 LYS 22 HD1 LYS 22 4.502 11.295 0.330
81 HE2 LYS 22 HE2 LYS 22 4.003 12.413 -1.794
82 HE3 LYS 22 HE1 LYS 22 4.890 10.919 -2.096
83 HZ1 LYS 22 HZ1 LYS 22 3.074 11.010 -3.602
84 HZ2 LYS 22 HZ2 LYS 22 1.969 11.357 -2.359
85 HZ3 LYS 22 HZ3 LYS 22 2.703 9.827 -2.444
86 H GLU 23 HN GLU 23 1.730 7.280 3.059
87 HA GLU 23 HA GLU 23 3.274 7.195 5.427
88 HB2 GLU 23 HB2 GLU 23 0.885 7.875 5.340
89 HB3 GLU 23 HB1 GLU 23 0.446 6.199 5.006
90 HG2 GLU 23 HG2 GLU 23 1.426 5.485 7.134
91 HG3 GLU 23 HG1 GLU 23 1.954 7.134 7.464
92 H LEU 24 HN LEU 24 1.921 4.675 3.358
93 HA LEU 24 HA LEU 24 2.393 2.492 5.067
94 HB2 LEU 24 HB2 LEU 24 0.971 2.377 3.031
95 HB3 LEU 24 HB1 LEU 24 2.414 2.544 2.035
96 HG LEU 24 HG LEU 24 3.336 0.461 3.040
97 HD11 LEU 24 HD11 LEU 24 1.343 -0.888 4.215
98 HD12 LEU 24 HD12 LEU 24 0.855 0.741 4.674
99 HD13 LEU 24 HD13 LEU 24 2.443 0.134 5.136
100 HD21 LEU 24 HD21 LEU 24 2.240 0.065 1.004
101 HD22 LEU 24 HD22 LEU 24 0.653 0.432 1.681
102 HD23 LEU 24 HD23 LEU 24 1.467 -1.074 2.106
103 H LEU 25 HN LEU 25 4.413 4.012 2.581
104 HA LEU 25 HA LEU 25 6.560 2.182 2.716
105 HB2 LEU 25 HB2 LEU 25 6.456 5.102 1.926
106 HB3 LEU 25 HB1 LEU 25 7.893 4.105 1.745
107 HG LEU 25 HG LEU 25 5.187 3.419 0.552
108 HD11 LEU 25 HD11 LEU 25 5.837 5.320 -0.662
109 HD12 LEU 25 HD12 LEU 25 6.513 4.001 -1.616
110 HD13 LEU 25 HD13 LEU 25 7.553 4.928 -0.536
111 HD21 LEU 25 HD21 LEU 25 6.222 1.395 0.428
112 HD22 LEU 25 HD22 LEU 25 7.818 2.074 0.717
113 HD23 LEU 25 HD23 LEU 25 7.122 2.123 -0.899
114 H LYS 26 HN LYS 26 5.887 5.180 4.473
115 HA LYS 26 HA LYS 26 8.336 5.328 5.871
116 HB2 LYS 26 HB2 LYS 26 5.580 6.365 6.557
117 HB3 LYS 26 HB1 LYS 26 7.032 6.753 7.480
118 HG2 LYS 26 HG2 LYS 26 8.075 7.700 5.458
119 HG3 LYS 26 HG1 LYS 26 6.631 7.307 4.525
120 HD2 LYS 26 HD2 LYS 26 5.284 8.776 5.979
121 HD3 LYS 26 HD1 LYS 26 6.726 9.171 6.916
122 HE2 LYS 26 HE2 LYS 26 7.783 10.123 4.903
123 HE3 LYS 26 HE1 LYS 26 6.350 9.721 3.957
124 HZ1 LYS 26 HZ1 LYS 26 5.049 11.132 5.474
125 HZ2 LYS 26 HZ2 LYS 26 6.242 12.003 4.634
126 HZ3 LYS 26 HZ3 LYS 26 6.480 11.586 6.264
127 H GLU 27 HN GLU 27 5.270 3.723 6.604
128 HA GLU 27 HA GLU 27 5.854 2.945 9.245
129 HB2 GLU 27 HB2 GLU 27 3.600 2.821 8.207
130 HB3 GLU 27 HB1 GLU 27 4.159 1.474 7.214
131 HG2 GLU 27 HG2 GLU 27 4.643 0.156 9.222
132 HG3 GLU 27 HG1 GLU 27 4.166 1.510 10.245
133 H LYS 28 HN LYS 28 6.580 1.436 6.133
134 HA LYS 28 HA LYS 28 7.932 -0.788 7.493
135 HB2 LYS 28 HB2 LYS 28 7.245 -0.301 4.588
136 HB3 LYS 28 HB1 LYS 28 8.147 -1.704 5.168
137 HG2 LYS 28 HG2 LYS 28 6.257 -2.316 6.633
138 HG3 LYS 28 HG1 LYS 28 5.352 -0.918 6.050
139 HD2 LYS 28 HD2 LYS 28 5.431 -1.813 3.755
140 HD3 LYS 28 HD1 LYS 28 6.344 -3.209 4.328
141 HE2 LYS 28 HE2 LYS 28 4.466 -3.842 5.795
142 HE3 LYS 28 HE1 LYS 28 3.550 -2.445 5.230
143 HZ1 LYS 28 HZ1 LYS 28 3.739 -4.970 4.056
144 HZ2 LYS 28 HZ2 LYS 28 4.487 -3.867 3.003
145 HZ3 LYS 28 HZ3 LYS 28 2.880 -3.620 3.497
146 H ARG 29 HN ARG 29 10.116 -1.227 7.229
147 HA ARG 29 HA ARG 29 11.855 0.981 7.004
148 HB2 ARG 29 HB2 ARG 29 12.388 -1.094 8.260
149 HB3 ARG 29 HB1 ARG 29 12.529 -1.958 6.729
150 HG2 ARG 29 HG2 ARG 29 14.345 -0.455 6.026
151 HG3 ARG 29 HG1 ARG 29 14.190 0.449 7.533
152 HD2 ARG 29 HD2 ARG 29 14.689 -1.670 8.777
153 HD3 ARG 29 HD1 ARG 29 14.995 -2.456 7.232
154 HE ARG 29 HE ARG 29 16.700 -0.496 8.555
155 HH11 ARG 29 HH21 ARG 29 15.849 -2.194 5.663
156 HH12 ARG 29 HH22 ARG 29 17.423 -2.057 4.954
157 HH21 ARG 29 HH11 ARG 29 18.742 -0.240 7.598
158 HH22 ARG 29 HH12 ARG 29 19.023 -0.835 5.995
159 H VAL 30 HN VAL 30 11.027 -1.607 4.720
160 HA VAL 30 HA VAL 30 11.487 -1.865 2.478
161 HB VAL 30 HB VAL 30 11.090 1.121 2.658
162 HG11 VAL 30 HG11 VAL 30 11.792 -0.658 0.400
163 HG12 VAL 30 HG12 VAL 30 11.980 1.089 0.558
164 HG13 VAL 30 HG13 VAL 30 10.417 0.409 0.109
165 HG21 VAL 30 HG21 VAL 30 9.161 -0.828 1.457
166 HG22 VAL 30 HG22 VAL 30 8.841 0.686 2.305
167 HG23 VAL 30 HG23 VAL 30 9.282 -0.759 3.215
168 HA PRO 31 HA PRO 31 16.007 -0.918 3.325
169 HB2 PRO 31 HB2 PRO 31 16.068 -3.430 1.706
170 HB3 PRO 31 HB1 PRO 31 17.013 -2.994 3.143
171 HG2 PRO 31 HG2 PRO 31 14.959 -4.699 3.264
172 HG3 PRO 31 HG1 PRO 31 15.336 -3.581 4.586
173 HD2 PRO 31 HD2 PRO 31 13.099 -3.499 2.642
174 HD3 PRO 31 HD1 PRO 31 13.188 -2.831 4.287
175 H SER 32 HN SER 32 17.398 0.083 1.923
176 HA SER 32 HA SER 32 16.436 0.997 -0.575
177 HB2 SER 32 HB2 SER 32 18.710 1.928 -0.858
178 HB3 SER 32 HB1 SER 32 18.050 2.282 0.736
179 HG SER 32 HG SER 32 19.862 0.206 0.038
180 H ASN 33 HN ASN 33 18.071 -1.872 0.357
181 HA ASN 33 HA ASN 33 19.442 -2.500 -2.027
182 HB2 ASN 33 HB2 ASN 33 18.282 -4.186 0.188
183 HB3 ASN 33 HB1 ASN 33 19.096 -4.903 -1.200
184 HD21 ASN 33 HD21 ASN 33 20.152 -5.107 1.478
185 HD22 ASN 33 HD22 ASN 33 21.637 -4.285 1.488
186 H ALA 34 HN ALA 34 16.116 -3.120 -0.976
187 HA ALA 34 HA ALA 34 15.390 -4.680 -3.251
188 HB1 ALA 34 HB1 ALA 34 13.012 -3.812 -2.431
189 HB2 ALA 34 HB2 ALA 34 13.943 -3.356 -1.004
190 HB3 ALA 34 HB3 ALA 34 13.904 -5.039 -1.531
191 H SER 35 HN SER 35 14.331 -4.067 -5.146
192 HA SER 35 HA SER 35 14.647 -1.292 -5.912
193 HB2 SER 35 HB2 SER 35 14.644 -2.028 -8.100
194 HB3 SER 35 HB1 SER 35 15.292 -3.449 -7.286
195 HG SER 35 HG SER 35 13.299 -4.397 -7.382
196 H TRP 36 HN TRP 36 12.751 -0.911 -7.732
197 HA TRP 36 HA TRP 36 10.459 -0.221 -6.205
198 HB2 TRP 36 HB2 TRP 36 10.923 -0.299 -9.193
199 HB3 TRP 36 HB1 TRP 36 9.442 0.311 -8.455
200 HD1 TRP 36 HD1 TRP 36 12.987 1.243 -9.215
201 HE1 TRP 36 HE1 TRP 36 13.466 3.629 -8.363
202 HE3 TRP 36 HE3 TRP 36 8.778 2.049 -6.439
203 HZ2 TRP 36 HZ2 TRP 36 12.226 5.616 -6.721
204 HZ3 TRP 36 HZ3 TRP 36 8.452 4.194 -5.243
205 HH2 TRP 36 HH2 TRP 36 10.170 5.978 -5.380
206 H GLU 37 HN GLU 37 11.117 -2.841 -8.498
207 HA GLU 37 HA GLU 37 8.504 -3.911 -8.573
208 HB2 GLU 37 HB2 GLU 37 11.205 -5.203 -9.003
209 HB3 GLU 37 HB1 GLU 37 9.670 -6.014 -9.314
210 HG2 GLU 37 HG2 GLU 37 9.050 -4.292 -10.935
211 HG3 GLU 37 HG1 GLU 37 10.528 -3.398 -10.583
212 H GLN 38 HN GLN 38 11.310 -4.674 -6.527
213 HA GLN 38 HA GLN 38 10.018 -6.747 -5.061
214 HB2 GLN 38 HB2 GLN 38 12.433 -5.034 -4.447
215 HB3 GLN 38 HB1 GLN 38 11.902 -6.373 -3.429
216 HG2 GLN 38 HG2 GLN 38 12.140 -7.929 -5.303
217 HG3 GLN 38 HG1 GLN 38 12.586 -6.602 -6.372
218 HE21 GLN 38 HE21 GLN 38 13.893 -9.027 -4.418
219 HE22 GLN 38 HE22 GLN 38 15.455 -8.384 -4.249
220 H ALA 39 HN ALA 39 10.453 -3.272 -4.533
221 HA ALA 39 HA ALA 39 9.413 -3.143 -1.918
222 HB1 ALA 39 HB1 ALA 39 8.718 -0.731 -2.960
223 HB2 ALA 39 HB2 ALA 39 9.955 -1.239 -4.110
224 HB3 ALA 39 HB3 ALA 39 10.340 -1.126 -2.392
225 H MET 40 HN MET 40 7.843 -2.969 -5.086
226 HA MET 40 HA MET 40 5.251 -2.322 -4.154
227 HB2 MET 40 HB2 MET 40 6.273 -3.632 -6.663
228 HB3 MET 40 HB1 MET 40 4.550 -3.392 -6.378
229 HG2 MET 40 HG2 MET 40 4.878 -0.990 -6.140
230 HG3 MET 40 HG1 MET 40 6.622 -1.182 -6.274
231 HE1 MET 40 HE1 MET 40 3.380 -1.605 -9.424
232 HE2 MET 40 HE2 MET 40 3.262 -1.690 -7.669
233 HE3 MET 40 HE3 MET 40 3.787 -3.104 -8.579
234 H LYS 41 HN LYS 41 6.878 -5.404 -4.731
235 HA LYS 41 HA LYS 41 4.626 -7.051 -4.239
236 HB2 LYS 41 HB2 LYS 41 7.591 -7.603 -4.107
237 HB3 LYS 41 HB1 LYS 41 6.357 -8.846 -3.891
238 HG2 LYS 41 HG2 LYS 41 5.435 -8.338 -6.115
239 HG3 LYS 41 HG1 LYS 41 6.642 -7.073 -6.335
240 HD2 LYS 41 HD2 LYS 41 8.443 -8.748 -6.150
241 HD3 LYS 41 HD1 LYS 41 7.238 -10.018 -5.925
242 HE2 LYS 41 HE2 LYS 41 6.290 -9.523 -8.146
243 HE3 LYS 41 HE1 LYS 41 7.481 -8.244 -8.373
244 HZ1 LYS 41 HZ1 LYS 41 8.083 -10.396 -9.417
245 HZ2 LYS 41 HZ2 LYS 41 8.179 -11.082 -7.865
246 HZ3 LYS 41 HZ3 LYS 41 9.235 -9.828 -8.309
247 H MET 42 HN MET 42 7.103 -5.655 -2.174
248 HA MET 42 HA MET 42 6.652 -7.182 0.133
249 HB2 MET 42 HB2 MET 42 7.712 -4.404 -0.334
250 HB3 MET 42 HB1 MET 42 7.520 -5.039 1.300
251 HG2 MET 42 HG2 MET 42 8.972 -6.927 0.785
252 HG3 MET 42 HG1 MET 42 9.082 -6.427 -0.897
253 HE1 MET 42 HE1 MET 42 9.287 -3.937 2.386
254 HE2 MET 42 HE2 MET 42 10.876 -4.552 2.829
255 HE3 MET 42 HE3 MET 42 9.522 -5.666 2.669
256 H ILE 43 HN ILE 43 5.182 -4.126 -0.916
257 HA ILE 43 HA ILE 43 3.521 -3.878 1.396
258 HB ILE 43 HB ILE 43 2.366 -2.123 0.047
259 HG12 ILE 43 HG12 ILE 43 4.425 -2.832 -2.045
260 HG13 ILE 43 HG11 ILE 43 2.734 -3.323 -2.149
261 HG21 ILE 43 HG21 ILE 43 4.386 -1.609 1.381
262 HG22 ILE 43 HG22 ILE 43 4.323 -0.634 -0.087
263 HG23 ILE 43 HG23 ILE 43 5.399 -2.028 -0.001
264 HD11 ILE 43 HD11 ILE 43 2.953 -1.299 -3.426
265 HD12 ILE 43 HD12 ILE 43 3.827 -0.504 -2.116
266 HD13 ILE 43 HD13 ILE 43 2.114 -0.883 -1.931
267 H ILE 44 HN ILE 44 3.225 -5.478 -1.672
268 HA ILE 44 HA ILE 44 0.417 -5.755 -1.749
269 HB ILE 44 HB ILE 44 2.684 -7.258 -2.994
270 HG12 ILE 44 HG12 ILE 44 0.357 -5.782 -4.238
271 HG13 ILE 44 HG11 ILE 44 1.861 -4.981 -3.805
272 HG21 ILE 44 HG21 ILE 44 0.752 -8.393 -4.317
273 HG22 ILE 44 HG22 ILE 44 -0.230 -7.988 -2.909
274 HG23 ILE 44 HG23 ILE 44 1.178 -9.034 -2.731
275 HD11 ILE 44 HD11 ILE 44 2.318 -7.443 -5.307
276 HD12 ILE 44 HD12 ILE 44 2.932 -5.819 -5.612
277 HD13 ILE 44 HD13 ILE 44 1.338 -6.284 -6.205
278 H ASN 45 HN ASN 45 2.972 -7.771 -0.359
279 HA ASN 45 HA ASN 45 1.371 -9.955 0.402
280 HB2 ASN 45 HB2 ASN 45 3.959 -8.817 1.444
281 HB3 ASN 45 HB1 ASN 45 3.203 -10.211 2.215
282 HD21 ASN 45 HD21 ASN 45 2.158 -11.511 -0.113
283 HD22 ASN 45 HD22 ASN 45 3.464 -12.033 -1.062
284 H ASP 46 HN ASP 46 2.174 -6.937 2.083
285 HA ASP 46 HA ASP 46 1.216 -7.348 4.559
286 HB2 ASP 46 HB2 ASP 46 1.829 -5.115 3.033
287 HB3 ASP 46 HB1 ASP 46 0.255 -4.809 3.765
288 HA PRO 47 HA PRO 47 -3.012 -8.770 3.523
289 HB2 PRO 47 HB2 PRO 47 -3.271 -8.246 6.459
290 HB3 PRO 47 HB1 PRO 47 -3.764 -9.667 5.521
291 HG2 PRO 47 HG2 PRO 47 -1.578 -9.678 7.056
292 HG3 PRO 47 HG1 PRO 47 -1.663 -10.572 5.529
293 HD2 PRO 47 HD2 PRO 47 -0.187 -8.106 6.189
294 HD3 PRO 47 HD1 PRO 47 0.146 -9.345 4.947
295 H ARG 48 HN ARG 48 -2.194 -5.943 5.486
296 HA ARG 48 HA ARG 48 -4.725 -4.696 5.473
297 HB2 ARG 48 HB2 ARG 48 -1.924 -3.582 5.705
298 HB3 ARG 48 HB1 ARG 48 -3.373 -2.589 5.869
299 HG2 ARG 48 HG2 ARG 48 -4.157 -3.998 7.720
300 HG3 ARG 48 HG1 ARG 48 -2.747 -5.042 7.540
301 HD2 ARG 48 HD2 ARG 48 -1.266 -3.144 8.059
302 HD3 ARG 48 HD1 ARG 48 -2.665 -2.088 8.221
303 HE ARG 48 HE ARG 48 -3.069 -4.224 9.968
304 HH11 ARG 48 HH21 ARG 48 -0.822 -1.643 9.450
305 HH12 ARG 48 HH22 ARG 48 -0.417 -1.476 11.125
306 HH21 ARG 48 HH11 ARG 48 -2.552 -4.001 12.167
307 HH22 ARG 48 HH12 ARG 48 -1.345 -2.859 12.656
308 H TYR 49 HN TYR 49 -2.104 -4.754 3.138
309 HA TYR 49 HA TYR 49 -2.893 -2.599 1.520
310 HB2 TYR 49 HB2 TYR 49 -0.725 -3.656 1.249
311 HB3 TYR 49 HB1 TYR 49 -1.490 -5.170 0.765
312 HD1 TYR 49 HD2 TYR 49 -1.255 -1.559 -0.174
313 HD2 TYR 49 HD1 TYR 49 -2.011 -5.578 -1.488
314 HE1 TYR 49 HE2 TYR 49 -1.337 -0.775 -2.525
315 HE2 TYR 49 HE1 TYR 49 -2.088 -4.797 -3.842
316 HH TYR 49 HH TYR 49 -2.666 -2.410 -4.961
317 H SER 50 HN SER 50 -3.780 -6.038 1.394
318 HA SER 50 HA SER 50 -5.351 -5.947 -0.930
319 HB2 SER 50 HB2 SER 50 -6.418 -7.995 -0.042
320 HB3 SER 50 HB1 SER 50 -4.665 -8.053 0.108
321 HG SER 50 HG SER 50 -6.374 -8.408 2.010
322 H ALA 51 HN ALA 51 -6.181 -5.335 2.461
323 HA ALA 51 HA ALA 51 -8.971 -5.009 2.060
324 HB1 ALA 51 HB1 ALA 51 -7.567 -3.490 4.209
325 HB2 ALA 51 HB2 ALA 51 -7.502 -5.252 4.259
326 HB3 ALA 51 HB3 ALA 51 -9.060 -4.426 4.283
327 H LEU 52 HN LEU 52 -6.223 -2.811 1.875
328 HA LEU 52 HA LEU 52 -7.649 -0.382 1.766
329 HB2 LEU 52 HB2 LEU 52 -5.221 -0.476 2.117
330 HB3 LEU 52 HB1 LEU 52 -5.002 -1.107 0.484
331 HG LEU 52 HG LEU 52 -6.609 1.352 0.579
332 HD11 LEU 52 HD11 LEU 52 -3.686 1.414 1.398
333 HD12 LEU 52 HD12 LEU 52 -5.053 1.845 2.427
334 HD13 LEU 52 HD13 LEU 52 -4.671 2.827 1.014
335 HD21 LEU 52 HD21 LEU 52 -4.022 0.793 -0.885
336 HD22 LEU 52 HD22 LEU 52 -5.330 1.874 -1.363
337 HD23 LEU 52 HD23 LEU 52 -5.561 0.129 -1.430
338 H ALA 53 HN ALA 53 -6.614 -2.625 -0.786
339 HA ALA 53 HA ALA 53 -7.494 -1.070 -2.979
340 HB1 ALA 53 HB1 ALA 53 -6.854 -3.966 -2.556
341 HB2 ALA 53 HB2 ALA 53 -6.072 -2.790 -3.613
342 HB3 ALA 53 HB3 ALA 53 -7.641 -3.464 -4.054
343 H LYS 54 HN LYS 54 -9.099 -3.502 -0.975
344 HA LYS 54 HA LYS 54 -11.471 -3.732 -2.493
345 HB2 LYS 54 HB2 LYS 54 -10.790 -5.305 -0.686
346 HB3 LYS 54 HB1 LYS 54 -11.146 -4.048 0.501
347 HG2 LYS 54 HG2 LYS 54 -13.479 -3.974 -0.228
348 HG3 LYS 54 HG1 LYS 54 -13.146 -5.164 -1.486
349 HD2 LYS 54 HD2 LYS 54 -12.507 -6.809 0.246
350 HD3 LYS 54 HD1 LYS 54 -12.865 -5.622 1.499
351 HE2 LYS 54 HE2 LYS 54 -15.206 -5.518 0.748
352 HE3 LYS 54 HE1 LYS 54 -14.857 -6.684 -0.526
353 HZ1 LYS 54 HZ1 LYS 54 -13.950 -7.683 1.945
354 HZ2 LYS 54 HZ2 LYS 54 -15.132 -8.326 0.908
355 HZ3 LYS 54 HZ3 LYS 54 -15.569 -7.206 2.107
356 H LEU 55 HN LEU 55 -10.578 -1.600 0.202
357 HA LEU 55 HA LEU 55 -11.705 0.185 1.153
358 HB2 LEU 55 HB2 LEU 55 -10.888 0.773 -1.370
359 HB3 LEU 55 HB1 LEU 55 -12.615 1.104 -1.508
360 HG LEU 55 HG LEU 55 -12.324 2.405 0.724
361 HD11 LEU 55 HD11 LEU 55 -10.224 2.844 1.496
362 HD12 LEU 55 HD12 LEU 55 -9.550 2.979 -0.129
363 HD13 LEU 55 HD13 LEU 55 -9.786 1.390 0.599
364 HD21 LEU 55 HD21 LEU 55 -11.624 3.155 -2.057
365 HD22 LEU 55 HD22 LEU 55 -11.082 4.282 -0.813
366 HD23 LEU 55 HD23 LEU 55 -12.794 3.882 -0.955
367 H SER 56 HN SER 56 -13.313 -2.166 1.005
368 HA SER 56 HA SER 56 -15.955 -0.897 1.011
369 HB2 SER 56 HB2 SER 56 -15.125 -2.550 -1.102
370 HB3 SER 56 HB1 SER 56 -16.165 -3.556 -0.099
371 HG SER 56 HG SER 56 -17.787 -2.454 -0.822
Start of MODEL 7
1 H THR 13 HN THR 13 -9.819 11.682 -5.905
2 HA THR 13 HA THR 13 -10.597 13.281 -3.557
3 HB THR 13 HB THR 13 -12.661 12.468 -4.701
4 HG1 THR 13 HG1 THR 13 -11.858 11.927 -2.150
5 HG21 THR 13 HG21 THR 13 -12.261 9.690 -3.859
6 HG22 THR 13 HG22 THR 13 -11.162 10.187 -5.146
7 HG23 THR 13 HG23 THR 13 -12.906 10.324 -5.373
8 H LYS 14 HN LYS 14 -9.077 10.527 -4.964
9 HA LYS 14 HA LYS 14 -8.695 9.052 -2.526
10 HB2 LYS 14 HB2 LYS 14 -7.517 8.878 -5.293
11 HB3 LYS 14 HB1 LYS 14 -6.928 7.868 -3.973
12 HG2 LYS 14 HG2 LYS 14 -9.000 6.772 -3.723
13 HG3 LYS 14 HG1 LYS 14 -9.873 8.034 -4.592
14 HD2 LYS 14 HD2 LYS 14 -7.719 6.592 -6.071
15 HD3 LYS 14 HD1 LYS 14 -9.221 5.719 -5.766
16 HE2 LYS 14 HE2 LYS 14 -9.028 8.449 -7.071
17 HE3 LYS 14 HE1 LYS 14 -9.295 6.931 -7.927
18 HZ1 LYS 14 HZ1 LYS 14 -11.270 6.644 -6.396
19 HZ2 LYS 14 HZ2 LYS 14 -11.410 7.835 -7.599
20 HZ3 LYS 14 HZ3 LYS 14 -11.080 8.280 -5.994
21 H GLU 15 HN GLU 15 -7.900 11.881 -2.488
22 HA GLU 15 HA GLU 15 -5.077 12.130 -2.587
23 HB2 GLU 15 HB2 GLU 15 -7.182 13.708 -1.096
24 HB3 GLU 15 HB1 GLU 15 -5.479 14.162 -1.162
25 HG2 GLU 15 HG2 GLU 15 -5.577 14.304 -3.601
26 HG3 GLU 15 HG1 GLU 15 -7.253 13.760 -3.587
27 H GLU 16 HN GLU 16 -7.335 11.224 -0.029
28 HA GLU 16 HA GLU 16 -5.471 11.247 2.108
29 HB2 GLU 16 HB2 GLU 16 -8.060 9.735 1.719
30 HB3 GLU 16 HB1 GLU 16 -7.148 9.746 3.228
31 HG2 GLU 16 HG2 GLU 16 -7.355 12.179 3.373
32 HG3 GLU 16 HG1 GLU 16 -8.189 12.221 1.821
33 H ALA 17 HN ALA 17 -6.447 8.776 -0.218
34 HA ALA 17 HA ALA 17 -5.119 6.586 0.974
35 HB1 ALA 17 HB1 ALA 17 -5.329 5.512 -1.206
36 HB2 ALA 17 HB2 ALA 17 -5.674 7.067 -1.963
37 HB3 ALA 17 HB3 ALA 17 -6.820 6.370 -0.818
38 H LYS 18 HN LYS 18 -4.055 9.060 -1.314
39 HA LYS 18 HA LYS 18 -1.548 7.925 -1.953
40 HB2 LYS 18 HB2 LYS 18 -2.502 10.794 -1.941
41 HB3 LYS 18 HB1 LYS 18 -0.937 10.285 -2.578
42 HG2 LYS 18 HG2 LYS 18 -2.065 8.771 -4.163
43 HG3 LYS 18 HG1 LYS 18 -3.632 9.265 -3.522
44 HD2 LYS 18 HD2 LYS 18 -3.186 11.592 -4.204
45 HD3 LYS 18 HD1 LYS 18 -1.615 11.105 -4.843
46 HE2 LYS 18 HE2 LYS 18 -2.725 9.585 -6.435
47 HE3 LYS 18 HE1 LYS 18 -4.298 10.058 -5.793
48 HZ1 LYS 18 HZ1 LYS 18 -3.865 11.333 -7.742
49 HZ2 LYS 18 HZ2 LYS 18 -2.333 11.800 -7.175
50 HZ3 LYS 18 HZ3 LYS 18 -3.737 12.374 -6.409
51 H GLN 19 HN GLN 19 -2.563 10.170 0.595
52 HA GLN 19 HA GLN 19 0.014 10.687 1.642
53 HB2 GLN 19 HB2 GLN 19 -2.725 10.782 2.921
54 HB3 GLN 19 HB1 GLN 19 -1.253 11.350 3.711
55 HG2 GLN 19 HG2 GLN 19 -0.864 12.952 1.904
56 HG3 GLN 19 HG1 GLN 19 -2.285 12.359 1.043
57 HE21 GLN 19 HE21 GLN 19 -2.698 14.895 1.407
58 HE22 GLN 19 HE22 GLN 19 -3.534 15.303 2.826
59 H ALA 20 HN ALA 20 -2.412 8.213 2.370
60 HA ALA 20 HA ALA 20 -1.113 7.088 4.615
61 HB1 ALA 20 HB1 ALA 20 -3.373 6.448 2.905
62 HB2 ALA 20 HB2 ALA 20 -3.116 6.072 4.608
63 HB3 ALA 20 HB3 ALA 20 -2.475 5.001 3.363
64 H PHE 21 HN PHE 21 -0.846 6.481 1.145
65 HA PHE 21 HA PHE 21 0.722 4.150 1.249
66 HB2 PHE 21 HB2 PHE 21 -0.336 4.971 -0.816
67 HB3 PHE 21 HB1 PHE 21 0.754 6.358 -0.824
68 HD1 PHE 21 HD2 PHE 21 0.689 2.624 -0.886
69 HD2 PHE 21 HD1 PHE 21 2.923 6.191 -1.748
70 HE1 PHE 21 HE2 PHE 21 2.410 1.266 -2.046
71 HE2 PHE 21 HE1 PHE 21 4.644 4.833 -2.908
72 HZ PHE 21 HZ PHE 21 4.388 2.370 -3.056
73 H LYS 22 HN LYS 22 1.663 7.577 1.145
74 HA LYS 22 HA LYS 22 4.455 7.156 1.092
75 HB2 LYS 22 HB2 LYS 22 3.343 9.322 0.572
76 HB3 LYS 22 HB1 LYS 22 2.958 9.501 2.285
77 HG2 LYS 22 HG2 LYS 22 5.342 9.453 2.856
78 HG3 LYS 22 HG1 LYS 22 5.758 9.201 1.160
79 HD2 LYS 22 HD2 LYS 22 4.726 11.372 0.586
80 HD3 LYS 22 HD1 LYS 22 4.328 11.628 2.285
81 HE2 LYS 22 HE2 LYS 22 6.720 11.549 2.867
82 HE3 LYS 22 HE1 LYS 22 7.128 11.277 1.173
83 HZ1 LYS 22 HZ1 LYS 22 7.306 13.628 1.918
84 HZ2 LYS 22 HZ2 LYS 22 5.621 13.642 2.138
85 HZ3 LYS 22 HZ3 LYS 22 6.276 13.397 0.590
86 H GLU 23 HN GLU 23 2.140 7.436 3.747
87 HA GLU 23 HA GLU 23 4.001 7.585 5.864
88 HB2 GLU 23 HB2 GLU 23 1.576 8.078 6.092
89 HB3 GLU 23 HB1 GLU 23 1.234 6.357 5.905
90 HG2 GLU 23 HG2 GLU 23 2.561 5.846 7.898
91 HG3 GLU 23 HG1 GLU 23 2.994 7.545 8.069
92 H LEU 24 HN LEU 24 2.524 4.840 4.192
93 HA LEU 24 HA LEU 24 3.479 2.809 5.903
94 HB2 LEU 24 HB2 LEU 24 2.754 2.789 2.966
95 HB3 LEU 24 HB1 LEU 24 3.163 1.335 3.865
96 HG LEU 24 HG LEU 24 0.971 3.264 4.685
97 HD11 LEU 24 HD11 LEU 24 1.025 1.160 2.663
98 HD12 LEU 24 HD12 LEU 24 -0.228 2.356 2.998
99 HD13 LEU 24 HD13 LEU 24 -0.182 0.846 3.909
100 HD21 LEU 24 HD21 LEU 24 1.241 2.099 6.619
101 HD22 LEU 24 HD22 LEU 24 2.191 0.840 5.842
102 HD23 LEU 24 HD23 LEU 24 0.435 0.787 5.761
103 H LEU 25 HN LEU 25 4.869 4.309 3.007
104 HA LEU 25 HA LEU 25 7.140 2.639 2.815
105 HB2 LEU 25 HB2 LEU 25 6.671 5.491 1.917
106 HB3 LEU 25 HB1 LEU 25 8.110 4.568 1.507
107 HG LEU 25 HG LEU 25 5.280 3.655 0.903
108 HD11 LEU 25 HD11 LEU 25 6.416 4.158 -1.516
109 HD12 LEU 25 HD12 LEU 25 7.160 5.430 -0.547
110 HD13 LEU 25 HD13 LEU 25 5.404 5.320 -0.659
111 HD21 LEU 25 HD21 LEU 25 7.985 2.490 0.620
112 HD22 LEU 25 HD22 LEU 25 6.986 2.380 -0.823
113 HD23 LEU 25 HD23 LEU 25 6.419 1.691 0.698
114 H LYS 26 HN LYS 26 6.577 5.693 4.517
115 HA LYS 26 HA LYS 26 9.224 6.098 5.408
116 HB2 LYS 26 HB2 LYS 26 7.435 7.827 5.470
117 HB3 LYS 26 HB1 LYS 26 6.659 6.935 6.780
118 HG2 LYS 26 HG2 LYS 26 8.657 7.195 8.176
119 HG3 LYS 26 HG1 LYS 26 9.485 8.029 6.862
120 HD2 LYS 26 HD2 LYS 26 7.766 9.805 6.909
121 HD3 LYS 26 HD1 LYS 26 6.957 8.977 8.240
122 HE2 LYS 26 HE2 LYS 26 8.970 9.219 9.634
123 HE3 LYS 26 HE1 LYS 26 9.801 10.026 8.303
124 HZ1 LYS 26 HZ1 LYS 26 8.233 11.805 8.377
125 HZ2 LYS 26 HZ2 LYS 26 8.823 11.565 9.952
126 HZ3 LYS 26 HZ3 LYS 26 7.279 11.000 9.525
127 H GLU 27 HN GLU 27 6.470 4.397 6.861
128 HA GLU 27 HA GLU 27 7.727 3.777 9.320
129 HB2 GLU 27 HB2 GLU 27 5.259 3.635 8.843
130 HB3 GLU 27 HB1 GLU 27 5.583 2.162 7.927
131 HG2 GLU 27 HG2 GLU 27 4.975 1.477 10.148
132 HG3 GLU 27 HG1 GLU 27 6.713 1.242 10.003
133 H LYS 28 HN LYS 28 7.542 2.069 6.224
134 HA LYS 28 HA LYS 28 9.065 -0.190 7.230
135 HB2 LYS 28 HB2 LYS 28 8.066 0.532 4.468
136 HB3 LYS 28 HB1 LYS 28 8.943 -0.952 4.845
137 HG2 LYS 28 HG2 LYS 28 7.208 -1.578 6.475
138 HG3 LYS 28 HG1 LYS 28 6.334 -0.084 6.128
139 HD2 LYS 28 HD2 LYS 28 6.116 -0.791 3.753
140 HD3 LYS 28 HD1 LYS 28 6.917 -2.311 4.152
141 HE2 LYS 28 HE2 LYS 28 4.371 -1.336 5.477
142 HE3 LYS 28 HE1 LYS 28 4.414 -2.485 4.139
143 HZ1 LYS 28 HZ1 LYS 28 6.005 -3.790 5.621
144 HZ2 LYS 28 HZ2 LYS 28 4.356 -3.811 6.027
145 HZ3 LYS 28 HZ3 LYS 28 5.434 -2.820 6.889
146 H ARG 29 HN ARG 29 11.195 -0.617 6.862
147 HA ARG 29 HA ARG 29 12.957 1.543 6.375
148 HB2 ARG 29 HB2 ARG 29 13.383 -1.446 6.478
149 HB3 ARG 29 HB1 ARG 29 14.703 -0.297 6.255
150 HG2 ARG 29 HG2 ARG 29 14.120 0.813 8.366
151 HG3 ARG 29 HG1 ARG 29 12.758 -0.288 8.584
152 HD2 ARG 29 HD2 ARG 29 14.307 -2.201 8.655
153 HD3 ARG 29 HD1 ARG 29 15.672 -1.113 8.416
154 HE ARG 29 HE ARG 29 14.290 -0.192 10.658
155 HH11 ARG 29 HH21 ARG 29 15.956 -3.035 9.602
156 HH12 ARG 29 HH22 ARG 29 16.508 -3.468 11.186
157 HH21 ARG 29 HH11 ARG 29 14.958 -0.786 12.746
158 HH22 ARG 29 HH12 ARG 29 15.940 -2.197 12.966
159 H VAL 30 HN VAL 30 11.836 -1.136 4.347
160 HA VAL 30 HA VAL 30 12.244 -1.614 2.115
161 HB VAL 30 HB VAL 30 11.620 1.343 2.078
162 HG11 VAL 30 HG11 VAL 30 12.293 1.179 -0.091
163 HG12 VAL 30 HG12 VAL 30 10.769 0.320 -0.316
164 HG13 VAL 30 HG13 VAL 30 12.262 -0.584 -0.067
165 HG21 VAL 30 HG21 VAL 30 10.072 -0.868 2.791
166 HG22 VAL 30 HG22 VAL 30 9.620 -0.557 1.114
167 HG23 VAL 30 HG23 VAL 30 9.460 0.719 2.323
168 HA PRO 31 HA PRO 31 16.711 -0.182 2.509
169 HB2 PRO 31 HB2 PRO 31 16.901 -2.878 1.229
170 HB3 PRO 31 HB1 PRO 31 17.898 -2.168 2.512
171 HG2 PRO 31 HG2 PRO 31 16.034 -4.010 3.028
172 HG3 PRO 31 HG1 PRO 31 16.395 -2.692 4.156
173 HD2 PRO 31 HD2 PRO 31 14.021 -3.069 2.410
174 HD3 PRO 31 HD1 PRO 31 14.167 -2.178 3.941
175 H SER 32 HN SER 32 17.880 0.755 0.879
176 HA SER 32 HA SER 32 16.663 1.220 -1.631
177 HB2 SER 32 HB2 SER 32 18.806 2.303 -2.221
178 HB3 SER 32 HB1 SER 32 18.225 2.814 -0.639
179 HG SER 32 HG SER 32 19.784 1.680 0.314
180 H ASN 33 HN ASN 33 18.678 -1.316 -0.471
181 HA ASN 33 HA ASN 33 19.903 -2.142 -2.876
182 HB2 ASN 33 HB2 ASN 33 19.152 -3.597 -0.343
183 HB3 ASN 33 HB1 ASN 33 19.930 -4.412 -1.697
184 HD21 ASN 33 HD21 ASN 33 21.209 -4.076 0.884
185 HD22 ASN 33 HD22 ASN 33 22.620 -3.185 0.572
186 H ALA 34 HN ALA 34 16.778 -2.930 -1.412
187 HA ALA 34 HA ALA 34 15.987 -4.954 -3.190
188 HB1 ALA 34 HB1 ALA 34 14.111 -2.939 -1.954
189 HB2 ALA 34 HB2 ALA 34 14.855 -4.237 -1.019
190 HB3 ALA 34 HB3 ALA 34 13.784 -4.623 -2.366
191 H SER 35 HN SER 35 13.410 -3.575 -3.950
192 HA SER 35 HA SER 35 14.159 -1.597 -5.900
193 HB2 SER 35 HB2 SER 35 13.311 -2.972 -7.822
194 HB3 SER 35 HB1 SER 35 14.833 -3.544 -7.145
195 HG SER 35 HG SER 35 12.753 -4.977 -7.501
196 H TRP 36 HN TRP 36 12.270 -0.831 -7.103
197 HA TRP 36 HA TRP 36 10.057 -0.333 -5.463
198 HB2 TRP 36 HB2 TRP 36 10.499 1.187 -7.251
199 HB3 TRP 36 HB1 TRP 36 10.411 -0.099 -8.455
200 HD1 TRP 36 HD1 TRP 36 8.089 -0.736 -9.385
201 HE1 TRP 36 HE1 TRP 36 5.693 0.125 -8.986
202 HE3 TRP 36 HE3 TRP 36 8.885 2.229 -5.305
203 HZ2 TRP 36 HZ2 TRP 36 4.297 1.844 -7.176
204 HZ3 TRP 36 HZ3 TRP 36 7.006 3.465 -4.263
205 HH2 TRP 36 HH2 TRP 36 4.715 3.278 -5.194
206 H GLU 37 HN GLU 37 10.529 -2.715 -8.043
207 HA GLU 37 HA GLU 37 7.885 -3.711 -8.096
208 HB2 GLU 37 HB2 GLU 37 10.526 -5.012 -8.798
209 HB3 GLU 37 HB1 GLU 37 8.953 -5.748 -9.112
210 HG2 GLU 37 HG2 GLU 37 8.305 -3.851 -10.508
211 HG3 GLU 37 HG1 GLU 37 9.824 -3.035 -10.145
212 H GLN 38 HN GLN 38 10.768 -4.757 -6.294
213 HA GLN 38 HA GLN 38 9.516 -6.951 -4.996
214 HB2 GLN 38 HB2 GLN 38 11.960 -5.312 -4.304
215 HB3 GLN 38 HB1 GLN 38 11.458 -6.737 -3.394
216 HG2 GLN 38 HG2 GLN 38 11.619 -8.117 -5.407
217 HG3 GLN 38 HG1 GLN 38 12.031 -6.701 -6.370
218 HE21 GLN 38 HE21 GLN 38 13.414 -9.300 -4.746
219 HE22 GLN 38 HE22 GLN 38 14.976 -8.667 -4.546
220 H ALA 39 HN ALA 39 10.021 -3.563 -4.082
221 HA ALA 39 HA ALA 39 9.012 -3.751 -1.451
222 HB1 ALA 39 HB1 ALA 39 10.320 -1.825 -2.494
223 HB2 ALA 39 HB2 ALA 39 8.963 -1.377 -1.461
224 HB3 ALA 39 HB3 ALA 39 8.794 -1.313 -3.215
225 H MET 40 HN MET 40 7.453 -3.180 -4.567
226 HA MET 40 HA MET 40 4.892 -2.493 -3.575
227 HB2 MET 40 HB2 MET 40 5.620 -2.108 -5.914
228 HB3 MET 40 HB1 MET 40 5.588 -3.849 -6.189
229 HG2 MET 40 HG2 MET 40 3.194 -3.912 -5.668
230 HG3 MET 40 HG1 MET 40 3.208 -2.188 -5.312
231 HE1 MET 40 HE1 MET 40 2.756 -4.919 -7.746
232 HE2 MET 40 HE2 MET 40 4.473 -4.707 -8.075
233 HE3 MET 40 HE3 MET 40 3.291 -4.332 -9.327
234 H LYS 41 HN LYS 41 6.400 -5.585 -4.379
235 HA LYS 41 HA LYS 41 4.065 -7.171 -4.045
236 HB2 LYS 41 HB2 LYS 41 7.004 -7.856 -3.950
237 HB3 LYS 41 HB1 LYS 41 5.719 -9.059 -3.844
238 HG2 LYS 41 HG2 LYS 41 4.836 -8.329 -6.022
239 HG3 LYS 41 HG1 LYS 41 6.099 -7.104 -6.131
240 HD2 LYS 41 HD2 LYS 41 7.823 -8.869 -6.075
241 HD3 LYS 41 HD1 LYS 41 6.561 -10.097 -5.964
242 HE2 LYS 41 HE2 LYS 41 5.656 -9.375 -8.140
243 HE3 LYS 41 HE1 LYS 41 6.907 -8.138 -8.253
244 HZ1 LYS 41 HZ1 LYS 41 7.078 -10.786 -9.049
245 HZ2 LYS 41 HZ2 LYS 41 8.080 -10.641 -7.684
246 HZ3 LYS 41 HZ3 LYS 41 8.321 -9.633 -9.030
247 H MET 42 HN MET 42 6.527 -5.972 -1.861
248 HA MET 42 HA MET 42 6.052 -7.692 0.314
249 HB2 MET 42 HB2 MET 42 7.136 -4.888 0.105
250 HB3 MET 42 HB1 MET 42 6.964 -5.696 1.660
251 HG2 MET 42 HG2 MET 42 8.398 -7.519 0.925
252 HG3 MET 42 HG1 MET 42 8.485 -6.842 -0.697
253 HE1 MET 42 HE1 MET 42 10.351 -5.395 3.179
254 HE2 MET 42 HE2 MET 42 8.983 -6.474 2.922
255 HE3 MET 42 HE3 MET 42 8.749 -4.730 2.833
256 H ILE 43 HN ILE 43 4.629 -4.549 -0.522
257 HA ILE 43 HA ILE 43 2.959 -4.433 1.797
258 HB ILE 43 HB ILE 43 1.828 -2.581 0.551
259 HG12 ILE 43 HG12 ILE 43 3.919 -3.150 -1.558
260 HG13 ILE 43 HG11 ILE 43 2.230 -3.643 -1.714
261 HG21 ILE 43 HG21 ILE 43 3.900 -1.146 0.425
262 HG22 ILE 43 HG22 ILE 43 4.855 -2.603 0.691
263 HG23 ILE 43 HG23 ILE 43 3.736 -2.043 1.935
264 HD11 ILE 43 HD11 ILE 43 3.300 -0.823 -1.465
265 HD12 ILE 43 HD12 ILE 43 1.588 -1.230 -1.353
266 HD13 ILE 43 HD13 ILE 43 2.469 -1.531 -2.851
267 H ILE 44 HN ILE 44 2.675 -5.841 -1.364
268 HA ILE 44 HA ILE 44 -0.138 -6.066 -1.501
269 HB ILE 44 HB ILE 44 2.130 -7.539 -2.791
270 HG12 ILE 44 HG12 ILE 44 -0.151 -5.924 -3.955
271 HG13 ILE 44 HG11 ILE 44 1.398 -5.220 -3.505
272 HG21 ILE 44 HG21 ILE 44 0.576 -9.299 -2.640
273 HG22 ILE 44 HG22 ILE 44 0.203 -8.575 -4.200
274 HG23 ILE 44 HG23 ILE 44 -0.803 -8.213 -2.801
275 HD11 ILE 44 HD11 ILE 44 0.819 -6.304 -5.970
276 HD12 ILE 44 HD12 ILE 44 1.644 -7.636 -5.161
277 HD13 ILE 44 HD13 ILE 44 2.443 -6.078 -5.329
278 H ASN 45 HN ASN 45 2.359 -8.196 -0.179
279 HA ASN 45 HA ASN 45 0.716 -10.392 0.440
280 HB2 ASN 45 HB2 ASN 45 3.288 -9.355 1.622
281 HB3 ASN 45 HB1 ASN 45 2.500 -10.804 2.243
282 HD21 ASN 45 HD21 ASN 45 5.078 -10.910 0.971
283 HD22 ASN 45 HD22 ASN 45 4.904 -11.804 -0.461
284 H ASP 46 HN ASP 46 1.514 -7.471 2.282
285 HA ASP 46 HA ASP 46 0.494 -7.992 4.725
286 HB2 ASP 46 HB2 ASP 46 1.346 -5.762 3.487
287 HB3 ASP 46 HB1 ASP 46 -0.358 -5.393 3.746
288 HA PRO 47 HA PRO 47 -3.692 -9.361 3.575
289 HB2 PRO 47 HB2 PRO 47 -3.988 -8.952 6.524
290 HB3 PRO 47 HB1 PRO 47 -4.467 -10.336 5.524
291 HG2 PRO 47 HG2 PRO 47 -2.298 -10.403 7.082
292 HG3 PRO 47 HG1 PRO 47 -2.363 -11.236 5.522
293 HD2 PRO 47 HD2 PRO 47 -0.889 -8.788 6.288
294 HD3 PRO 47 HD1 PRO 47 -0.542 -9.978 4.999
295 H ARG 48 HN ARG 48 -2.948 -6.642 5.728
296 HA ARG 48 HA ARG 48 -5.478 -5.390 5.652
297 HB2 ARG 48 HB2 ARG 48 -2.696 -4.307 6.121
298 HB3 ARG 48 HB1 ARG 48 -4.150 -3.317 6.259
299 HG2 ARG 48 HG2 ARG 48 -5.049 -4.835 7.965
300 HG3 ARG 48 HG1 ARG 48 -3.630 -5.872 7.809
301 HD2 ARG 48 HD2 ARG 48 -2.183 -4.019 8.538
302 HD3 ARG 48 HD1 ARG 48 -3.589 -2.966 8.671
303 HE ARG 48 HE ARG 48 -4.111 -5.198 10.258
304 HH11 ARG 48 HH21 ARG 48 -1.762 -2.667 10.032
305 HH12 ARG 48 HH22 ARG 48 -1.503 -2.567 11.741
306 HH21 ARG 48 HH11 ARG 48 -3.635 -5.199 12.480
307 HH22 ARG 48 HH12 ARG 48 -2.617 -3.962 13.137
308 H TYR 49 HN TYR 49 -2.721 -5.304 3.480
309 HA TYR 49 HA TYR 49 -3.444 -3.055 1.948
310 HB2 TYR 49 HB2 TYR 49 -1.230 -4.155 1.829
311 HB3 TYR 49 HB1 TYR 49 -1.979 -5.541 1.037
312 HD1 TYR 49 HD1 TYR 49 -1.414 -1.870 0.718
313 HD2 TYR 49 HD2 TYR 49 -2.433 -5.527 -1.289
314 HE1 TYR 49 HE1 TYR 49 -1.242 -0.717 -1.472
315 HE2 TYR 49 HE2 TYR 49 -2.257 -4.378 -3.480
316 HH TYR 49 HH TYR 49 -0.842 -1.303 -3.829
317 H SER 50 HN SER 50 -4.810 -6.195 2.152
318 HA SER 50 HA SER 50 -5.886 -6.506 -0.426
319 HB2 SER 50 HB2 SER 50 -5.870 -8.304 1.258
320 HB3 SER 50 HB1 SER 50 -7.041 -7.409 2.224
321 HG SER 50 HG SER 50 -7.420 -8.980 0.050
322 H ALA 51 HN ALA 51 -7.156 -4.866 2.453
323 HA ALA 51 HA ALA 51 -9.690 -4.207 1.406
324 HB1 ALA 51 HB1 ALA 51 -8.622 -2.177 3.194
325 HB2 ALA 51 HB2 ALA 51 -8.335 -3.805 3.808
326 HB3 ALA 51 HB3 ALA 51 -9.976 -3.280 3.434
327 H LEU 52 HN LEU 52 -6.558 -2.581 1.231
328 HA LEU 52 HA LEU 52 -7.451 -0.150 0.113
329 HB2 LEU 52 HB2 LEU 52 -4.830 -1.614 0.136
330 HB3 LEU 52 HB1 LEU 52 -5.022 -0.166 -0.852
331 HG LEU 52 HG LEU 52 -5.927 -0.098 2.007
332 HD11 LEU 52 HD11 LEU 52 -3.455 0.889 2.290
333 HD12 LEU 52 HD12 LEU 52 -3.115 -0.281 1.015
334 HD13 LEU 52 HD13 LEU 52 -3.803 -0.819 2.547
335 HD21 LEU 52 HD21 LEU 52 -4.432 2.075 0.603
336 HD22 LEU 52 HD22 LEU 52 -5.792 2.190 1.721
337 HD23 LEU 52 HD23 LEU 52 -6.067 1.724 0.044
338 H ALA 53 HN ALA 53 -6.440 -3.206 -1.370
339 HA ALA 53 HA ALA 53 -6.540 -2.331 -4.058
340 HB1 ALA 53 HB1 ALA 53 -6.031 -4.762 -2.669
341 HB2 ALA 53 HB2 ALA 53 -5.720 -4.391 -4.365
342 HB3 ALA 53 HB3 ALA 53 -7.266 -5.091 -3.885
343 H LYS 54 HN LYS 54 -8.971 -3.744 -1.910
344 HA LYS 54 HA LYS 54 -11.005 -4.096 -3.840
345 HB2 LYS 54 HB2 LYS 54 -11.134 -3.647 -0.851
346 HB3 LYS 54 HB1 LYS 54 -12.537 -4.050 -1.842
347 HG2 LYS 54 HG2 LYS 54 -11.432 -6.124 -2.582
348 HG3 LYS 54 HG1 LYS 54 -10.019 -5.723 -1.607
349 HD2 LYS 54 HD2 LYS 54 -11.404 -5.771 0.433
350 HD3 LYS 54 HD1 LYS 54 -12.823 -6.167 -0.538
351 HE2 LYS 54 HE2 LYS 54 -11.734 -8.245 -1.295
352 HE3 LYS 54 HE1 LYS 54 -10.307 -7.851 -0.336
353 HZ1 LYS 54 HZ1 LYS 54 -12.761 -7.746 1.157
354 HZ2 LYS 54 HZ2 LYS 54 -11.293 -8.516 1.532
355 HZ3 LYS 54 HZ3 LYS 54 -12.428 -9.287 0.531
356 H LEU 55 HN LEU 55 -10.187 -1.378 -1.713
357 HA LEU 55 HA LEU 55 -10.989 0.783 -1.622
358 HB2 LEU 55 HB2 LEU 55 -10.190 0.144 -4.307
359 HB3 LEU 55 HB1 LEU 55 -11.543 1.275 -4.351
360 HG LEU 55 HG LEU 55 -9.067 1.654 -2.645
361 HD11 LEU 55 HD11 LEU 55 -8.410 3.345 -4.294
362 HD12 LEU 55 HD12 LEU 55 -9.838 2.980 -5.262
363 HD13 LEU 55 HD13 LEU 55 -8.566 1.773 -5.075
364 HD21 LEU 55 HD21 LEU 55 -11.649 2.829 -2.589
365 HD22 LEU 55 HD22 LEU 55 -10.566 4.031 -3.291
366 HD23 LEU 55 HD23 LEU 55 -10.216 3.350 -1.703
367 H SER 56 HN SER 56 -12.976 -1.588 -1.858
368 HA SER 56 HA SER 56 -15.344 0.064 -1.813
369 HB2 SER 56 HB2 SER 56 -16.522 -1.041 -3.619
370 HB3 SER 56 HB1 SER 56 -15.025 -0.364 -4.252
371 HG SER 56 HG SER 56 -15.461 -2.579 -4.873
Start of MODEL 8
1 H THR 13 HN THR 13 -11.057 11.848 -7.092
2 HA THR 13 HA THR 13 -8.622 11.138 -8.379
3 HB THR 13 HB THR 13 -7.665 13.026 -7.110
4 HG1 THR 13 HG1 THR 13 -9.123 12.455 -5.249
5 HG21 THR 13 HG21 THR 13 -10.007 14.469 -7.724
6 HG22 THR 13 HG22 THR 13 -9.975 13.105 -8.841
7 HG23 THR 13 HG23 THR 13 -8.608 14.216 -8.767
8 H LYS 14 HN LYS 14 -9.941 10.561 -5.189
9 HA LYS 14 HA LYS 14 -9.199 9.299 -3.419
10 HB2 LYS 14 HB2 LYS 14 -7.280 8.054 -5.395
11 HB3 LYS 14 HB1 LYS 14 -7.934 7.332 -3.923
12 HG2 LYS 14 HG2 LYS 14 -10.242 7.951 -5.201
13 HG3 LYS 14 HG1 LYS 14 -9.195 7.661 -6.590
14 HD2 LYS 14 HD2 LYS 14 -8.480 5.507 -5.325
15 HD3 LYS 14 HD1 LYS 14 -9.940 5.764 -4.370
16 HE2 LYS 14 HE2 LYS 14 -11.299 5.769 -6.418
17 HE3 LYS 14 HE1 LYS 14 -9.846 5.552 -7.394
18 HZ1 LYS 14 HZ1 LYS 14 -11.046 3.463 -6.950
19 HZ2 LYS 14 HZ2 LYS 14 -10.750 3.664 -5.289
20 HZ3 LYS 14 HZ3 LYS 14 -9.454 3.444 -6.366
21 H GLU 15 HN GLU 15 -8.170 11.754 -3.339
22 HA GLU 15 HA GLU 15 -5.339 11.936 -3.383
23 HB2 GLU 15 HB2 GLU 15 -5.659 14.013 -2.118
24 HB3 GLU 15 HB1 GLU 15 -6.808 13.913 -3.453
25 HG2 GLU 15 HG2 GLU 15 -8.513 13.015 -1.863
26 HG3 GLU 15 HG1 GLU 15 -7.367 13.260 -0.546
27 H GLU 16 HN GLU 16 -7.662 10.992 -0.918
28 HA GLU 16 HA GLU 16 -5.894 11.027 1.297
29 HB2 GLU 16 HB2 GLU 16 -8.419 9.447 0.770
30 HB3 GLU 16 HB1 GLU 16 -7.574 9.457 2.318
31 HG2 GLU 16 HG2 GLU 16 -7.857 11.884 2.489
32 HG3 GLU 16 HG1 GLU 16 -8.629 11.924 0.906
33 H ALA 17 HN ALA 17 -6.697 8.565 -1.107
34 HA ALA 17 HA ALA 17 -5.353 6.399 0.113
35 HB1 ALA 17 HB1 ALA 17 -5.900 6.942 -2.816
36 HB2 ALA 17 HB2 ALA 17 -6.953 6.067 -1.704
37 HB3 ALA 17 HB3 ALA 17 -5.385 5.393 -2.149
38 H LYS 18 HN LYS 18 -4.274 8.954 -2.068
39 HA LYS 18 HA LYS 18 -1.720 7.905 -2.661
40 HB2 LYS 18 HB2 LYS 18 -2.735 10.752 -2.561
41 HB3 LYS 18 HB1 LYS 18 -1.144 10.300 -3.171
42 HG2 LYS 18 HG2 LYS 18 -2.194 8.832 -4.849
43 HG3 LYS 18 HG1 LYS 18 -3.790 9.269 -4.237
44 HD2 LYS 18 HD2 LYS 18 -3.370 11.631 -4.810
45 HD3 LYS 18 HD1 LYS 18 -1.771 11.201 -5.419
46 HE2 LYS 18 HE2 LYS 18 -2.803 9.726 -7.104
47 HE3 LYS 18 HE1 LYS 18 -4.404 10.145 -6.494
48 HZ1 LYS 18 HZ1 LYS 18 -2.495 12.202 -7.430
49 HZ2 LYS 18 HZ2 LYS 18 -4.172 12.347 -7.197
50 HZ3 LYS 18 HZ3 LYS 18 -3.568 11.427 -8.491
51 H GLN 19 HN GLN 19 -2.868 10.028 -0.063
52 HA GLN 19 HA GLN 19 -0.336 10.547 1.093
53 HB2 GLN 19 HB2 GLN 19 -3.119 10.553 2.279
54 HB3 GLN 19 HB1 GLN 19 -1.685 11.116 3.138
55 HG2 GLN 19 HG2 GLN 19 -1.266 12.786 1.392
56 HG3 GLN 19 HG1 GLN 19 -2.653 12.200 0.477
57 HE21 GLN 19 HE21 GLN 19 -3.085 14.732 0.933
58 HE22 GLN 19 HE22 GLN 19 -4.051 15.037 2.294
59 H ALA 20 HN ALA 20 -2.735 8.000 1.617
60 HA ALA 20 HA ALA 20 -1.528 6.813 3.876
61 HB1 ALA 20 HB1 ALA 20 -3.159 5.233 3.684
62 HB2 ALA 20 HB2 ALA 20 -2.908 5.033 1.950
63 HB3 ALA 20 HB3 ALA 20 -3.848 6.399 2.554
64 H PHE 21 HN PHE 21 -1.010 6.407 0.412
65 HA PHE 21 HA PHE 21 0.576 4.096 0.467
66 HB2 PHE 21 HB2 PHE 21 -0.303 5.072 -1.611
67 HB3 PHE 21 HB1 PHE 21 0.757 6.467 -1.410
68 HD1 PHE 21 HD1 PHE 21 0.774 2.749 -1.769
69 HD2 PHE 21 HD2 PHE 21 2.997 6.404 -2.161
70 HE1 PHE 21 HE1 PHE 21 2.615 1.511 -2.874
71 HE2 PHE 21 HE2 PHE 21 4.838 5.165 -3.267
72 HZ PHE 21 HZ PHE 21 4.649 2.718 -3.623
73 H LYS 22 HN LYS 22 1.503 7.524 0.700
74 HA LYS 22 HA LYS 22 4.291 7.094 0.872
75 HB2 LYS 22 HB2 LYS 22 2.549 9.353 1.879
76 HB3 LYS 22 HB1 LYS 22 4.312 9.386 1.908
77 HG2 LYS 22 HG2 LYS 22 4.369 9.065 -0.533
78 HG3 LYS 22 HG1 LYS 22 2.605 9.019 -0.571
79 HD2 LYS 22 HD2 LYS 22 2.520 11.313 0.331
80 HD3 LYS 22 HD1 LYS 22 4.283 11.363 0.371
81 HE2 LYS 22 HE2 LYS 22 4.356 11.040 -2.071
82 HE3 LYS 22 HE1 LYS 22 2.593 10.974 -2.119
83 HZ1 LYS 22 HZ1 LYS 22 4.355 13.255 -1.801
84 HZ2 LYS 22 HZ2 LYS 22 2.984 13.255 -0.799
85 HZ3 LYS 22 HZ3 LYS 22 2.807 13.166 -2.486
86 H GLU 23 HN GLU 23 1.763 7.338 3.347
87 HA GLU 23 HA GLU 23 3.508 7.209 5.583
88 HB2 GLU 23 HB2 GLU 23 0.581 6.481 5.307
89 HB3 GLU 23 HB1 GLU 23 1.443 6.595 6.842
90 HG2 GLU 23 HG2 GLU 23 1.234 8.860 4.842
91 HG3 GLU 23 HG1 GLU 23 0.190 8.686 6.251
92 H LEU 24 HN LEU 24 1.866 4.761 3.650
93 HA LEU 24 HA LEU 24 2.382 2.547 5.316
94 HB2 LEU 24 HB2 LEU 24 1.856 2.858 2.368
95 HB3 LEU 24 HB1 LEU 24 2.223 1.281 3.048
96 HG LEU 24 HG LEU 24 0.051 3.092 4.144
97 HD11 LEU 24 HD11 LEU 24 0.086 1.316 1.790
98 HD12 LEU 24 HD12 LEU 24 -1.041 2.606 2.210
99 HD13 LEU 24 HD13 LEU 24 -1.237 1.001 2.914
100 HD21 LEU 24 HD21 LEU 24 0.070 1.549 5.792
101 HD22 LEU 24 HD22 LEU 24 1.228 0.549 4.932
102 HD23 LEU 24 HD23 LEU 24 -0.490 0.372 4.607
103 H LEU 25 HN LEU 25 4.259 4.021 2.700
104 HA LEU 25 HA LEU 25 6.308 2.084 2.600
105 HB2 LEU 25 HB2 LEU 25 6.298 5.031 1.911
106 HB3 LEU 25 HB1 LEU 25 7.659 3.970 1.583
107 HG LEU 25 HG LEU 25 4.834 3.459 0.596
108 HD11 LEU 25 HD11 LEU 25 6.238 4.010 -1.640
109 HD12 LEU 25 HD12 LEU 25 7.086 5.060 -0.506
110 HD13 LEU 25 HD13 LEU 25 5.349 5.246 -0.750
111 HD21 LEU 25 HD21 LEU 25 6.590 2.129 -1.045
112 HD22 LEU 25 HD22 LEU 25 5.754 1.395 0.322
113 HD23 LEU 25 HD23 LEU 25 7.398 1.987 0.511
114 H LYS 26 HN LYS 26 5.959 5.057 4.495
115 HA LYS 26 HA LYS 26 8.523 5.002 5.690
116 HB2 LYS 26 HB2 LYS 26 5.904 6.195 6.626
117 HB3 LYS 26 HB1 LYS 26 7.449 6.462 7.434
118 HG2 LYS 26 HG2 LYS 26 8.385 7.401 5.357
119 HG3 LYS 26 HG1 LYS 26 6.847 7.126 4.536
120 HD2 LYS 26 HD2 LYS 26 5.720 8.634 6.129
121 HD3 LYS 26 HD1 LYS 26 7.253 8.910 6.956
122 HE2 LYS 26 HE2 LYS 26 8.207 9.853 4.888
123 HE3 LYS 26 HE1 LYS 26 6.682 9.570 4.051
124 HZ1 LYS 26 HZ1 LYS 26 6.968 11.260 6.473
125 HZ2 LYS 26 HZ2 LYS 26 5.577 11.078 5.514
126 HZ3 LYS 26 HZ3 LYS 26 6.947 11.864 4.889
127 H GLU 27 HN GLU 27 5.393 3.669 6.708
128 HA GLU 27 HA GLU 27 6.302 2.675 9.212
129 HB2 GLU 27 HB2 GLU 27 3.951 1.909 7.472
130 HB3 GLU 27 HB1 GLU 27 4.224 1.265 9.092
131 HG2 GLU 27 HG2 GLU 27 4.155 3.520 10.034
132 HG3 GLU 27 HG1 GLU 27 3.973 4.211 8.424
133 H LYS 28 HN LYS 28 6.076 1.280 5.973
134 HA LYS 28 HA LYS 28 7.057 -1.302 6.895
135 HB2 LYS 28 HB2 LYS 28 6.360 -0.241 4.150
136 HB3 LYS 28 HB1 LYS 28 6.929 -1.882 4.457
137 HG2 LYS 28 HG2 LYS 28 5.026 -2.279 5.960
138 HG3 LYS 28 HG1 LYS 28 4.461 -0.629 5.697
139 HD2 LYS 28 HD2 LYS 28 4.191 -1.099 3.291
140 HD3 LYS 28 HD1 LYS 28 4.754 -2.751 3.550
141 HE2 LYS 28 HE2 LYS 28 2.860 -3.173 5.062
142 HE3 LYS 28 HE1 LYS 28 2.301 -1.518 4.836
143 HZ1 LYS 28 HZ1 LYS 28 1.060 -2.766 3.334
144 HZ2 LYS 28 HZ2 LYS 28 2.389 -3.712 2.862
145 HZ3 LYS 28 HZ3 LYS 28 2.284 -2.090 2.374
146 H ARG 29 HN ARG 29 9.042 -2.210 6.325
147 HA ARG 29 HA ARG 29 11.222 -0.352 6.123
148 HB2 ARG 29 HB2 ARG 29 11.107 -3.374 6.085
149 HB3 ARG 29 HB1 ARG 29 12.609 -2.451 6.046
150 HG2 ARG 29 HG2 ARG 29 12.021 -1.373 8.177
151 HG3 ARG 29 HG1 ARG 29 10.500 -2.265 8.217
152 HD2 ARG 29 HD2 ARG 29 11.757 -4.393 8.244
153 HD3 ARG 29 HD1 ARG 29 13.271 -3.494 8.234
154 HE ARG 29 HE ARG 29 11.445 -3.801 10.487
155 HH11 ARG 29 HH21 ARG 29 14.089 -2.101 9.040
156 HH12 ARG 29 HH22 ARG 29 14.756 -1.573 10.548
157 HH21 ARG 29 HH11 ARG 29 12.259 -3.030 12.463
158 HH22 ARG 29 HH12 ARG 29 13.687 -2.049 12.482
159 H VAL 30 HN VAL 30 12.665 -0.065 4.428
160 HA VAL 30 HA VAL 30 11.981 -1.317 1.851
161 HB VAL 30 HB VAL 30 12.359 1.634 2.355
162 HG11 VAL 30 HG11 VAL 30 11.725 1.375 -0.290
163 HG12 VAL 30 HG12 VAL 30 12.751 -0.041 -0.051
164 HG13 VAL 30 HG13 VAL 30 13.370 1.571 0.313
165 HG21 VAL 30 HG21 VAL 30 10.089 0.632 2.760
166 HG22 VAL 30 HG22 VAL 30 10.082 0.080 1.084
167 HG23 VAL 30 HG23 VAL 30 10.109 1.806 1.445
168 HA PRO 31 HA PRO 31 16.504 -1.686 3.061
169 HB2 PRO 31 HB2 PRO 31 16.051 -3.967 1.181
170 HB3 PRO 31 HB1 PRO 31 16.953 -3.929 2.708
171 HG2 PRO 31 HG2 PRO 31 14.526 -5.032 2.528
172 HG3 PRO 31 HG1 PRO 31 15.068 -4.179 3.982
173 HD2 PRO 31 HD2 PRO 31 13.095 -3.329 1.936
174 HD3 PRO 31 HD1 PRO 31 13.218 -2.861 3.646
175 H SER 32 HN SER 32 18.253 -1.044 1.836
176 HA SER 32 HA SER 32 17.818 0.425 -0.519
177 HB2 SER 32 HB2 SER 32 20.282 0.508 -0.680
178 HB3 SER 32 HB1 SER 32 19.723 0.850 0.955
179 HG SER 32 HG SER 32 20.403 -1.104 1.606
180 H ASN 33 HN ASN 33 18.734 -2.922 0.011
181 HA ASN 33 HA ASN 33 19.627 -3.542 -2.591
182 HB2 ASN 33 HB2 ASN 33 18.406 -5.191 -0.383
183 HB3 ASN 33 HB1 ASN 33 18.865 -5.906 -1.928
184 HD21 ASN 33 HD21 ASN 33 20.181 -6.643 0.516
185 HD22 ASN 33 HD22 ASN 33 21.787 -6.102 0.428
186 H ALA 34 HN ALA 34 16.399 -3.587 -1.128
187 HA ALA 34 HA ALA 34 15.079 -4.692 -3.403
188 HB1 ALA 34 HB1 ALA 34 13.813 -4.939 -1.482
189 HB2 ALA 34 HB2 ALA 34 13.051 -3.517 -2.195
190 HB3 ALA 34 HB3 ALA 34 14.216 -3.330 -0.884
191 H SER 35 HN SER 35 13.948 -3.680 -5.055
192 HA SER 35 HA SER 35 14.532 -0.816 -5.412
193 HB2 SER 35 HB2 SER 35 14.762 -1.173 -7.678
194 HB3 SER 35 HB1 SER 35 15.347 -2.715 -7.058
195 HG SER 35 HG SER 35 13.292 -2.260 -8.666
196 H TRP 36 HN TRP 36 12.711 -0.593 -7.613
197 HA TRP 36 HA TRP 36 10.353 0.160 -6.207
198 HB2 TRP 36 HB2 TRP 36 10.959 -0.063 -9.160
199 HB3 TRP 36 HB1 TRP 36 9.436 0.558 -8.525
200 HD1 TRP 36 HD1 TRP 36 13.008 1.504 -9.147
201 HE1 TRP 36 HE1 TRP 36 13.408 3.941 -8.405
202 HE3 TRP 36 HE3 TRP 36 8.640 2.394 -6.657
203 HZ2 TRP 36 HZ2 TRP 36 12.053 5.996 -6.947
204 HZ3 TRP 36 HZ3 TRP 36 8.222 4.597 -5.603
205 HH2 TRP 36 HH2 TRP 36 9.921 6.398 -5.744
206 H GLU 37 HN GLU 37 11.133 -2.537 -8.376
207 HA GLU 37 HA GLU 37 8.534 -3.658 -8.449
208 HB2 GLU 37 HB2 GLU 37 11.265 -4.899 -8.854
209 HB3 GLU 37 HB1 GLU 37 9.747 -5.747 -9.151
210 HG2 GLU 37 HG2 GLU 37 9.093 -4.069 -10.803
211 HG3 GLU 37 HG1 GLU 37 10.550 -3.137 -10.467
212 H GLN 38 HN GLN 38 11.357 -4.322 -6.390
213 HA GLN 38 HA GLN 38 10.103 -6.393 -4.888
214 HB2 GLN 38 HB2 GLN 38 12.492 -4.637 -4.305
215 HB3 GLN 38 HB1 GLN 38 11.989 -5.981 -3.278
216 HG2 GLN 38 HG2 GLN 38 12.219 -7.529 -5.185
217 HG3 GLN 38 HG1 GLN 38 12.718 -6.188 -6.215
218 HE21 GLN 38 HE21 GLN 38 14.937 -6.488 -6.546
219 HE22 GLN 38 HE22 GLN 38 16.065 -6.739 -5.303
220 H ALA 39 HN ALA 39 10.486 -2.907 -4.418
221 HA ALA 39 HA ALA 39 9.455 -2.757 -1.798
222 HB1 ALA 39 HB1 ALA 39 10.522 -0.810 -2.512
223 HB2 ALA 39 HB2 ALA 39 8.820 -0.358 -2.612
224 HB3 ALA 39 HB3 ALA 39 9.699 -0.810 -4.073
225 H MET 40 HN MET 40 7.870 -2.607 -4.968
226 HA MET 40 HA MET 40 5.273 -2.013 -4.015
227 HB2 MET 40 HB2 MET 40 6.306 -3.260 -6.551
228 HB3 MET 40 HB1 MET 40 4.580 -3.051 -6.255
229 HG2 MET 40 HG2 MET 40 4.874 -0.649 -5.972
230 HG3 MET 40 HG1 MET 40 6.619 -0.813 -6.121
231 HE1 MET 40 HE1 MET 40 3.800 -2.734 -8.444
232 HE2 MET 40 HE2 MET 40 3.365 -1.233 -9.257
233 HE3 MET 40 HE3 MET 40 3.259 -1.337 -7.503
234 H LYS 41 HN LYS 41 6.957 -5.056 -4.656
235 HA LYS 41 HA LYS 41 4.734 -6.751 -4.191
236 HB2 LYS 41 HB2 LYS 41 6.784 -7.451 -5.405
237 HB3 LYS 41 HB1 LYS 41 7.670 -7.397 -3.882
238 HG2 LYS 41 HG2 LYS 41 6.178 -9.093 -2.925
239 HG3 LYS 41 HG1 LYS 41 5.230 -9.120 -4.412
240 HD2 LYS 41 HD2 LYS 41 7.226 -9.868 -5.666
241 HD3 LYS 41 HD1 LYS 41 8.162 -9.859 -4.170
242 HE2 LYS 41 HE2 LYS 41 6.649 -11.544 -3.201
243 HE3 LYS 41 HE1 LYS 41 5.693 -11.545 -4.683
244 HZ1 LYS 41 HZ1 LYS 41 8.589 -12.071 -4.784
245 HZ2 LYS 41 HZ2 LYS 41 7.375 -12.544 -5.875
246 HZ3 LYS 41 HZ3 LYS 41 7.514 -13.316 -4.368
247 H MET 42 HN MET 42 7.183 -5.337 -2.108
248 HA MET 42 HA MET 42 6.772 -6.930 0.167
249 HB2 MET 42 HB2 MET 42 7.802 -4.132 -0.256
250 HB3 MET 42 HB1 MET 42 7.604 -4.782 1.368
251 HG2 MET 42 HG2 MET 42 9.152 -6.211 -0.805
252 HG3 MET 42 HG1 MET 42 9.909 -5.125 0.353
253 HE1 MET 42 HE1 MET 42 9.276 -6.508 3.707
254 HE2 MET 42 HE2 MET 42 9.509 -5.124 2.647
255 HE3 MET 42 HE3 MET 42 10.818 -6.276 2.876
256 H ILE 43 HN ILE 43 5.254 -3.879 -0.820
257 HA ILE 43 HA ILE 43 3.597 -3.701 1.506
258 HB ILE 43 HB ILE 43 2.419 -1.930 0.197
259 HG12 ILE 43 HG12 ILE 43 4.470 -2.577 -1.922
260 HG13 ILE 43 HG11 ILE 43 2.782 -3.081 -2.025
261 HG21 ILE 43 HG21 ILE 43 4.047 -0.607 1.005
262 HG22 ILE 43 HG22 ILE 43 5.070 -1.020 -0.370
263 HG23 ILE 43 HG23 ILE 43 5.131 -1.994 1.097
264 HD11 ILE 43 HD11 ILE 43 2.146 -0.647 -1.749
265 HD12 ILE 43 HD12 ILE 43 2.967 -1.032 -3.262
266 HD13 ILE 43 HD13 ILE 43 3.854 -0.254 -1.951
267 H ILE 44 HN ILE 44 3.312 -5.232 -1.598
268 HA ILE 44 HA ILE 44 0.503 -5.544 -1.662
269 HB ILE 44 HB ILE 44 2.783 -6.981 -2.966
270 HG12 ILE 44 HG12 ILE 44 0.426 -5.498 -4.149
271 HG13 ILE 44 HG11 ILE 44 1.925 -4.693 -3.706
272 HG21 ILE 44 HG21 ILE 44 -0.122 -7.748 -2.882
273 HG22 ILE 44 HG22 ILE 44 1.299 -8.783 -2.744
274 HG23 ILE 44 HG23 ILE 44 0.854 -8.101 -4.308
275 HD11 ILE 44 HD11 ILE 44 2.400 -7.104 -5.282
276 HD12 ILE 44 HD12 ILE 44 2.990 -5.463 -5.546
277 HD13 ILE 44 HD13 ILE 44 1.396 -5.934 -6.139
278 H ASN 45 HN ASN 45 3.101 -7.561 -0.354
279 HA ASN 45 HA ASN 45 1.554 -9.795 0.353
280 HB2 ASN 45 HB2 ASN 45 4.009 -9.806 0.370
281 HB3 ASN 45 HB1 ASN 45 4.015 -8.680 1.728
282 HD21 ASN 45 HD21 ASN 45 5.247 -11.180 2.076
283 HD22 ASN 45 HD22 ASN 45 4.289 -12.180 3.057
284 H ASP 46 HN ASP 46 2.302 -6.821 2.136
285 HA ASP 46 HA ASP 46 1.332 -7.339 4.592
286 HB2 ASP 46 HB2 ASP 46 2.340 -5.224 3.847
287 HB3 ASP 46 HB1 ASP 46 0.768 -4.781 3.181
288 HA PRO 47 HA PRO 47 -2.869 -8.752 3.490
289 HB2 PRO 47 HB2 PRO 47 -3.140 -8.335 6.443
290 HB3 PRO 47 HB1 PRO 47 -3.618 -9.727 5.452
291 HG2 PRO 47 HG2 PRO 47 -1.435 -9.774 6.990
292 HG3 PRO 47 HG1 PRO 47 -1.508 -10.613 5.433
293 HD2 PRO 47 HD2 PRO 47 -0.050 -8.155 6.182
294 HD3 PRO 47 HD1 PRO 47 0.294 -9.348 4.896
295 H ARG 48 HN ARG 48 -2.085 -5.995 5.567
296 HA ARG 48 HA ARG 48 -4.618 -4.766 5.602
297 HB2 ARG 48 HB2 ARG 48 -1.829 -3.629 5.842
298 HB3 ARG 48 HB1 ARG 48 -3.289 -2.663 6.060
299 HG2 ARG 48 HG2 ARG 48 -4.029 -4.157 7.866
300 HG3 ARG 48 HG1 ARG 48 -2.595 -5.159 7.638
301 HD2 ARG 48 HD2 ARG 48 -1.161 -3.222 8.191
302 HD3 ARG 48 HD1 ARG 48 -2.594 -2.234 8.436
303 HE ARG 48 HE ARG 48 -1.574 -4.294 10.228
304 HH11 ARG 48 HH21 ARG 48 -4.146 -2.169 9.299
305 HH12 ARG 48 HH22 ARG 48 -5.024 -2.366 10.776
306 HH21 ARG 48 HH11 ARG 48 -2.598 -4.359 12.253
307 HH22 ARG 48 HH12 ARG 48 -4.088 -3.510 12.493
308 H TYR 49 HN TYR 49 -2.021 -4.729 3.243
309 HA TYR 49 HA TYR 49 -2.838 -2.533 1.696
310 HB2 TYR 49 HB2 TYR 49 -0.671 -3.577 1.366
311 HB3 TYR 49 HB1 TYR 49 -1.439 -5.079 0.853
312 HD1 TYR 49 HD2 TYR 49 -1.295 -1.433 0.017
313 HD2 TYR 49 HD1 TYR 49 -1.921 -5.434 -1.413
314 HE1 TYR 49 HE2 TYR 49 -1.411 -0.583 -2.309
315 HE2 TYR 49 HE1 TYR 49 -2.034 -4.586 -3.741
316 HH TYR 49 HH TYR 49 -2.552 -1.467 -4.533
317 H SER 50 HN SER 50 -3.749 -5.959 1.533
318 HA SER 50 HA SER 50 -5.331 -5.842 -0.783
319 HB2 SER 50 HB2 SER 50 -4.797 -7.995 0.049
320 HB3 SER 50 HB1 SER 50 -5.408 -7.616 1.656
321 HG SER 50 HG SER 50 -6.934 -7.800 -0.737
322 H ALA 51 HN ALA 51 -6.187 -5.336 2.630
323 HA ALA 51 HA ALA 51 -8.958 -4.925 2.205
324 HB1 ALA 51 HB1 ALA 51 -8.827 -5.058 4.438
325 HB2 ALA 51 HB2 ALA 51 -8.220 -3.402 4.438
326 HB3 ALA 51 HB3 ALA 51 -7.090 -4.756 4.407
327 H LEU 52 HN LEU 52 -6.167 -2.774 2.146
328 HA LEU 52 HA LEU 52 -7.544 -0.315 2.108
329 HB2 LEU 52 HB2 LEU 52 -5.125 -0.466 2.484
330 HB3 LEU 52 HB1 LEU 52 -4.895 -1.046 0.835
331 HG LEU 52 HG LEU 52 -6.457 1.437 0.987
332 HD11 LEU 52 HD11 LEU 52 -4.502 2.862 1.504
333 HD12 LEU 52 HD12 LEU 52 -3.548 1.422 1.857
334 HD13 LEU 52 HD13 LEU 52 -4.926 1.840 2.877
335 HD21 LEU 52 HD21 LEU 52 -5.129 1.999 -0.913
336 HD22 LEU 52 HD22 LEU 52 -5.399 0.263 -1.044
337 HD23 LEU 52 HD23 LEU 52 -3.855 0.873 -0.451
338 H ALA 53 HN ALA 53 -6.545 -2.495 -0.508
339 HA ALA 53 HA ALA 53 -7.313 -0.851 -2.666
340 HB1 ALA 53 HB1 ALA 53 -7.063 -3.848 -2.380
341 HB2 ALA 53 HB2 ALA 53 -5.927 -2.730 -3.137
342 HB3 ALA 53 HB3 ALA 53 -7.477 -3.069 -3.908
343 H LYS 54 HN LYS 54 -9.108 -3.179 -0.708
344 HA LYS 54 HA LYS 54 -11.464 -3.255 -2.265
345 HB2 LYS 54 HB2 LYS 54 -11.012 -3.683 0.696
346 HB3 LYS 54 HB1 LYS 54 -12.544 -3.998 -0.119
347 HG2 LYS 54 HG2 LYS 54 -11.425 -5.595 -1.625
348 HG3 LYS 54 HG1 LYS 54 -9.887 -5.277 -0.825
349 HD2 LYS 54 HD2 LYS 54 -10.818 -6.096 1.307
350 HD3 LYS 54 HD1 LYS 54 -12.361 -6.412 0.513
351 HE2 LYS 54 HE2 LYS 54 -11.262 -8.012 -1.005
352 HE3 LYS 54 HE1 LYS 54 -9.713 -7.693 -0.225
353 HZ1 LYS 54 HZ1 LYS 54 -10.217 -9.178 1.316
354 HZ2 LYS 54 HZ2 LYS 54 -11.700 -9.497 0.552
355 HZ3 LYS 54 HZ3 LYS 54 -11.601 -8.299 1.753
356 H LEU 55 HN LEU 55 -10.453 -1.155 0.409
357 HA LEU 55 HA LEU 55 -11.354 0.786 1.253
358 HB2 LEU 55 HB2 LEU 55 -10.858 1.170 -1.378
359 HB3 LEU 55 HB1 LEU 55 -12.592 1.492 -1.345
360 HG LEU 55 HG LEU 55 -12.038 2.964 0.738
361 HD11 LEU 55 HD11 LEU 55 -9.415 3.455 -0.559
362 HD12 LEU 55 HD12 LEU 55 -9.534 1.968 0.381
363 HD13 LEU 55 HD13 LEU 55 -9.858 3.522 1.146
364 HD21 LEU 55 HD21 LEU 55 -11.706 3.505 -2.166
365 HD22 LEU 55 HD22 LEU 55 -11.090 4.742 -1.071
366 HD23 LEU 55 HD23 LEU 55 -12.786 4.264 -0.997
367 H SER 56 HN SER 56 -12.963 0.307 2.653
368 HA SER 56 HA SER 56 -15.665 0.783 1.874
369 HB2 SER 56 HB2 SER 56 -15.404 -1.536 1.022
370 HB3 SER 56 HB1 SER 56 -14.979 -2.063 2.647
371 HG SER 56 HG SER 56 -17.350 -0.621 2.130
Start of MODEL 9
1 H THR 13 HN THR 13 -8.590 15.565 -2.938
2 HA THR 13 HA THR 13 -11.149 15.186 -1.708
3 HB THR 13 HB THR 13 -11.106 13.885 -4.375
4 HG1 THR 13 HG1 THR 13 -10.502 16.199 -4.583
5 HG21 THR 13 HG21 THR 13 -13.473 14.102 -4.164
6 HG22 THR 13 HG22 THR 13 -13.319 15.338 -2.917
7 HG23 THR 13 HG23 THR 13 -12.886 13.666 -2.560
8 H LYS 14 HN LYS 14 -9.178 13.354 -4.057
9 HA LYS 14 HA LYS 14 -9.134 11.084 -2.210
10 HB2 LYS 14 HB2 LYS 14 -7.642 10.783 -4.703
11 HB3 LYS 14 HB1 LYS 14 -8.961 9.806 -4.056
12 HG2 LYS 14 HG2 LYS 14 -10.551 11.637 -4.768
13 HG3 LYS 14 HG1 LYS 14 -9.195 12.401 -5.599
14 HD2 LYS 14 HD2 LYS 14 -8.858 10.138 -6.775
15 HD3 LYS 14 HD1 LYS 14 -10.464 9.722 -6.175
16 HE2 LYS 14 HE2 LYS 14 -9.670 11.737 -8.229
17 HE3 LYS 14 HE1 LYS 14 -11.065 10.658 -8.195
18 HZ1 LYS 14 HZ1 LYS 14 -10.694 13.260 -6.893
19 HZ2 LYS 14 HZ2 LYS 14 -11.705 12.115 -6.149
20 HZ3 LYS 14 HZ3 LYS 14 -12.042 12.653 -7.725
21 H GLU 15 HN GLU 15 -7.533 13.702 -1.985
22 HA GLU 15 HA GLU 15 -4.793 13.074 -2.369
23 HB2 GLU 15 HB2 GLU 15 -6.164 15.074 -0.561
24 HB3 GLU 15 HB1 GLU 15 -4.415 14.982 -0.773
25 HG2 GLU 15 HG2 GLU 15 -4.652 15.382 -3.173
26 HG3 GLU 15 HG1 GLU 15 -6.409 15.389 -3.020
27 H GLU 16 HN GLU 16 -7.032 12.597 0.308
28 HA GLU 16 HA GLU 16 -5.140 11.912 2.289
29 HB2 GLU 16 HB2 GLU 16 -7.522 12.443 2.751
30 HB3 GLU 16 HB1 GLU 16 -7.985 10.916 2.001
31 HG2 GLU 16 HG2 GLU 16 -6.680 9.672 3.661
32 HG3 GLU 16 HG1 GLU 16 -6.136 11.184 4.390
33 H ALA 17 HN ALA 17 -6.864 9.968 -0.123
34 HA ALA 17 HA ALA 17 -5.963 7.438 0.767
35 HB1 ALA 17 HB1 ALA 17 -6.296 7.406 -2.064
36 HB2 ALA 17 HB2 ALA 17 -7.528 8.469 -1.383
37 HB3 ALA 17 HB3 ALA 17 -7.400 6.799 -0.828
38 H LYS 18 HN LYS 18 -4.618 9.802 -1.487
39 HA LYS 18 HA LYS 18 -2.522 8.201 -2.503
40 HB2 LYS 18 HB2 LYS 18 -2.786 11.199 -2.207
41 HB3 LYS 18 HB1 LYS 18 -1.461 10.411 -3.065
42 HG2 LYS 18 HG2 LYS 18 -3.073 9.321 -4.576
43 HG3 LYS 18 HG1 LYS 18 -4.406 10.094 -3.717
44 HD2 LYS 18 HD2 LYS 18 -3.516 12.313 -4.318
45 HD3 LYS 18 HD1 LYS 18 -2.178 11.547 -5.174
46 HE2 LYS 18 HE2 LYS 18 -3.773 10.446 -6.697
47 HE3 LYS 18 HE1 LYS 18 -5.116 11.201 -5.840
48 HZ1 LYS 18 HZ1 LYS 18 -4.778 13.128 -6.875
49 HZ2 LYS 18 HZ2 LYS 18 -3.814 12.255 -7.968
50 HZ3 LYS 18 HZ3 LYS 18 -3.096 13.067 -6.660
51 H GLN 19 HN GLN 19 -2.720 10.375 0.284
52 HA GLN 19 HA GLN 19 0.005 10.241 1.026
53 HB2 GLN 19 HB2 GLN 19 -2.489 10.809 2.639
54 HB3 GLN 19 HB1 GLN 19 -0.852 10.965 3.279
55 HG2 GLN 19 HG2 GLN 19 -0.298 12.601 1.547
56 HG3 GLN 19 HG1 GLN 19 -1.899 12.417 0.832
57 HE21 GLN 19 HE21 GLN 19 -1.641 14.944 1.424
58 HE22 GLN 19 HE22 GLN 19 -2.298 15.379 2.928
59 H ALA 20 HN ALA 20 -2.694 8.093 1.523
60 HA ALA 20 HA ALA 20 -1.821 6.619 3.725
61 HB1 ALA 20 HB1 ALA 20 -3.014 4.962 1.635
62 HB2 ALA 20 HB2 ALA 20 -3.916 6.451 1.920
63 HB3 ALA 20 HB3 ALA 20 -3.613 5.336 3.252
64 H PHE 21 HN PHE 21 -1.021 6.264 0.288
65 HA PHE 21 HA PHE 21 0.528 3.910 0.538
66 HB2 PHE 21 HB2 PHE 21 0.585 6.148 -1.494
67 HB3 PHE 21 HB1 PHE 21 1.539 4.672 -1.642
68 HD1 PHE 21 HD2 PHE 21 0.466 2.502 -2.018
69 HD2 PHE 21 HD1 PHE 21 -1.847 6.106 -1.697
70 HE1 PHE 21 HE2 PHE 21 -1.506 1.319 -2.947
71 HE2 PHE 21 HE1 PHE 21 -3.818 4.924 -2.627
72 HZ PHE 21 HZ PHE 21 -3.649 2.530 -3.251
73 H LYS 22 HN LYS 22 1.368 7.347 0.716
74 HA LYS 22 HA LYS 22 4.167 7.032 0.872
75 HB2 LYS 22 HB2 LYS 22 2.341 9.199 1.931
76 HB3 LYS 22 HB1 LYS 22 4.102 9.304 1.948
77 HG2 LYS 22 HG2 LYS 22 4.150 9.026 -0.501
78 HG3 LYS 22 HG1 LYS 22 2.390 8.911 -0.525
79 HD2 LYS 22 HD2 LYS 22 2.222 11.184 0.418
80 HD3 LYS 22 HD1 LYS 22 3.982 11.303 0.447
81 HE2 LYS 22 HE2 LYS 22 4.049 11.025 -2.001
82 HE3 LYS 22 HE1 LYS 22 2.291 10.895 -2.036
83 HZ1 LYS 22 HZ1 LYS 22 3.390 13.222 -0.684
84 HZ2 LYS 22 HZ2 LYS 22 2.026 13.089 -1.688
85 HZ3 LYS 22 HZ3 LYS 22 3.580 13.183 -2.369
86 H GLU 23 HN GLU 23 1.655 7.123 3.374
87 HA GLU 23 HA GLU 23 3.391 7.072 5.605
88 HB2 GLU 23 HB2 GLU 23 0.547 6.083 5.286
89 HB3 GLU 23 HB1 GLU 23 1.382 6.225 6.832
90 HG2 GLU 23 HG2 GLU 23 0.986 8.526 4.902
91 HG3 GLU 23 HG1 GLU 23 -0.058 8.210 6.287
92 H LEU 24 HN LEU 24 1.907 4.496 3.685
93 HA LEU 24 HA LEU 24 2.724 2.332 5.305
94 HB2 LEU 24 HB2 LEU 24 2.097 2.532 2.357
95 HB3 LEU 24 HB1 LEU 24 2.450 1.000 3.158
96 HG LEU 24 HG LEU 24 0.283 2.921 4.056
97 HD11 LEU 24 HD11 LEU 24 -1.316 1.450 2.978
98 HD12 LEU 24 HD12 LEU 24 -0.027 0.355 2.477
99 HD13 LEU 24 HD13 LEU 24 -0.133 1.971 1.777
100 HD21 LEU 24 HD21 LEU 24 1.392 0.394 5.094
101 HD22 LEU 24 HD22 LEU 24 -0.364 0.384 4.925
102 HD23 LEU 24 HD23 LEU 24 0.418 1.618 5.909
103 H LEU 25 HN LEU 25 4.278 3.970 2.577
104 HA LEU 25 HA LEU 25 6.489 2.232 2.340
105 HB2 LEU 25 HB2 LEU 25 6.139 5.155 1.657
106 HB3 LEU 25 HB1 LEU 25 7.586 4.237 1.243
107 HG LEU 25 HG LEU 25 4.773 3.439 0.437
108 HD11 LEU 25 HD11 LEU 25 5.101 5.360 -0.834
109 HD12 LEU 25 HD12 LEU 25 5.787 4.125 -1.890
110 HD13 LEU 25 HD13 LEU 25 6.848 5.136 -0.909
111 HD21 LEU 25 HD21 LEU 25 6.530 2.279 -1.329
112 HD22 LEU 25 HD22 LEU 25 5.853 1.469 0.083
113 HD23 LEU 25 HD23 LEU 25 7.450 2.211 0.176
114 H LYS 26 HN LYS 26 5.995 5.181 4.240
115 HA LYS 26 HA LYS 26 8.626 5.348 5.272
116 HB2 LYS 26 HB2 LYS 26 5.982 6.369 6.326
117 HB3 LYS 26 HB1 LYS 26 7.540 6.751 7.062
118 HG2 LYS 26 HG2 LYS 26 8.317 7.724 4.938
119 HG3 LYS 26 HG1 LYS 26 6.771 7.331 4.186
120 HD2 LYS 26 HD2 LYS 26 5.607 8.779 5.808
121 HD3 LYS 26 HD1 LYS 26 7.151 9.173 6.565
122 HE2 LYS 26 HE2 LYS 26 7.948 10.151 4.448
123 HE3 LYS 26 HE1 LYS 26 6.412 9.750 3.680
124 HZ1 LYS 26 HZ1 LYS 26 5.331 11.391 4.765
125 HZ2 LYS 26 HZ2 LYS 26 6.878 12.093 4.795
126 HZ3 LYS 26 HZ3 LYS 26 6.288 11.273 6.161
127 H GLU 27 HN GLU 27 5.683 3.778 6.471
128 HA GLU 27 HA GLU 27 6.767 2.939 8.954
129 HB2 GLU 27 HB2 GLU 27 4.318 3.036 8.367
130 HB3 GLU 27 HB1 GLU 27 4.558 1.588 7.388
131 HG2 GLU 27 HG2 GLU 27 3.785 0.852 9.543
132 HG3 GLU 27 HG1 GLU 27 5.503 0.468 9.459
133 H LYS 28 HN LYS 28 6.623 1.449 5.752
134 HA LYS 28 HA LYS 28 7.966 -0.956 6.731
135 HB2 LYS 28 HB2 LYS 28 6.916 -0.174 4.004
136 HB3 LYS 28 HB1 LYS 28 7.718 -1.706 4.353
137 HG2 LYS 28 HG2 LYS 28 6.007 -2.236 6.038
138 HG3 LYS 28 HG1 LYS 28 5.210 -0.693 5.726
139 HD2 LYS 28 HD2 LYS 28 4.866 -1.377 3.359
140 HD3 LYS 28 HD1 LYS 28 5.594 -2.941 3.726
141 HE2 LYS 28 HE2 LYS 28 3.155 -1.828 5.141
142 HE3 LYS 28 HE1 LYS 28 3.086 -2.973 3.801
143 HZ1 LYS 28 HZ1 LYS 28 4.046 -4.634 5.054
144 HZ2 LYS 28 HZ2 LYS 28 3.065 -3.857 6.203
145 HZ3 LYS 28 HZ3 LYS 28 4.738 -3.558 6.169
146 H ARG 29 HN ARG 29 10.012 -1.614 6.077
147 HA ARG 29 HA ARG 29 11.857 0.526 5.477
148 HB2 ARG 29 HB2 ARG 29 12.234 -2.444 5.901
149 HB3 ARG 29 HB1 ARG 29 13.561 -1.322 5.598
150 HG2 ARG 29 HG2 ARG 29 12.940 -0.020 7.587
151 HG3 ARG 29 HG1 ARG 29 11.579 -1.104 7.884
152 HD2 ARG 29 HD2 ARG 29 13.133 -2.994 8.157
153 HD3 ARG 29 HD1 ARG 29 14.496 -1.927 7.834
154 HE ARG 29 HE ARG 29 14.245 -1.010 9.979
155 HH11 ARG 29 HH21 ARG 29 11.641 -3.133 9.146
156 HH12 ARG 29 HH22 ARG 29 11.019 -3.225 10.759
157 HH21 ARG 29 HH11 ARG 29 13.434 -1.128 12.096
158 HH22 ARG 29 HH12 ARG 29 12.036 -2.096 12.430
159 H VAL 30 HN VAL 30 13.072 0.802 3.631
160 HA VAL 30 HA VAL 30 12.529 -0.981 1.351
161 HB VAL 30 HB VAL 30 12.283 2.034 1.340
162 HG11 VAL 30 HG11 VAL 30 12.872 0.071 -0.785
163 HG12 VAL 30 HG12 VAL 30 13.116 1.818 -0.768
164 HG13 VAL 30 HG13 VAL 30 11.526 1.152 -1.145
165 HG21 VAL 30 HG21 VAL 30 10.316 -0.169 0.636
166 HG22 VAL 30 HG22 VAL 30 9.988 1.564 0.619
167 HG23 VAL 30 HG23 VAL 30 10.308 0.741 2.146
168 HA PRO 31 HA PRO 31 17.075 -0.092 2.206
169 HB2 PRO 31 HB2 PRO 31 17.080 -2.789 0.921
170 HB3 PRO 31 HB1 PRO 31 18.016 -2.204 2.309
171 HG2 PRO 31 HG2 PRO 31 15.909 -3.819 2.601
172 HG3 PRO 31 HG1 PRO 31 16.301 -2.560 3.782
173 HD2 PRO 31 HD2 PRO 31 14.089 -2.650 1.802
174 HD3 PRO 31 HD1 PRO 31 14.184 -1.791 3.354
175 H SER 32 HN SER 32 18.456 0.752 0.721
176 HA SER 32 HA SER 32 17.582 1.350 -1.885
177 HB2 SER 32 HB2 SER 32 19.888 2.165 -2.248
178 HB3 SER 32 HB1 SER 32 19.227 2.731 -0.717
179 HG SER 32 HG SER 32 20.573 1.461 0.346
180 H ASN 33 HN ASN 33 19.538 -1.265 -0.601
181 HA ASN 33 HA ASN 33 20.609 -2.234 -3.025
182 HB2 ASN 33 HB2 ASN 33 19.986 -3.540 -0.382
183 HB3 ASN 33 HB1 ASN 33 20.667 -4.456 -1.724
184 HD21 ASN 33 HD21 ASN 33 22.125 -4.038 0.719
185 HD22 ASN 33 HD22 ASN 33 23.463 -3.051 0.368
186 H ALA 34 HN ALA 34 17.553 -2.891 -1.362
187 HA ALA 34 HA ALA 34 16.640 -4.996 -2.971
188 HB1 ALA 34 HB1 ALA 34 14.690 -2.964 -1.990
189 HB2 ALA 34 HB2 ALA 34 15.651 -3.837 -0.796
190 HB3 ALA 34 HB3 ALA 34 14.616 -4.724 -1.914
191 H SER 35 HN SER 35 14.063 -3.711 -3.787
192 HA SER 35 HA SER 35 14.746 -1.834 -5.852
193 HB2 SER 35 HB2 SER 35 13.885 -3.341 -7.670
194 HB3 SER 35 HB1 SER 35 15.432 -3.840 -6.995
195 HG SER 35 HG SER 35 14.499 -5.528 -6.080
196 H TRP 36 HN TRP 36 12.836 -1.172 -7.027
197 HA TRP 36 HA TRP 36 10.623 -0.649 -5.372
198 HB2 TRP 36 HB2 TRP 36 10.931 -0.487 -8.378
199 HB3 TRP 36 HB1 TRP 36 9.491 0.061 -7.522
200 HD1 TRP 36 HD1 TRP 36 10.339 1.680 -5.214
201 HE1 TRP 36 HE1 TRP 36 11.861 3.756 -5.378
202 HE3 TRP 36 HE3 TRP 36 12.595 0.768 -9.705
203 HZ2 TRP 36 HZ2 TRP 36 13.781 4.879 -7.176
204 HZ3 TRP 36 HZ3 TRP 36 14.265 2.355 -10.618
205 HH2 TRP 36 HH2 TRP 36 14.861 4.408 -9.361
206 H GLU 37 HN GLU 37 11.155 -3.121 -7.844
207 HA GLU 37 HA GLU 37 8.535 -4.146 -7.946
208 HB2 GLU 37 HB2 GLU 37 11.212 -5.479 -8.397
209 HB3 GLU 37 HB1 GLU 37 9.664 -6.249 -8.744
210 HG2 GLU 37 HG2 GLU 37 9.093 -4.465 -10.316
211 HG3 GLU 37 HG1 GLU 37 10.586 -3.614 -9.924
212 H GLN 38 HN GLN 38 11.308 -5.018 -5.899
213 HA GLN 38 HA GLN 38 9.986 -7.122 -4.515
214 HB2 GLN 38 HB2 GLN 38 12.380 -5.424 -3.789
215 HB3 GLN 38 HB1 GLN 38 11.833 -6.808 -2.839
216 HG2 GLN 38 HG2 GLN 38 12.106 -8.276 -4.791
217 HG3 GLN 38 HG1 GLN 38 12.617 -6.900 -5.768
218 HE21 GLN 38 HE21 GLN 38 14.838 -7.194 -6.086
219 HE22 GLN 38 HE22 GLN 38 15.951 -7.521 -4.847
220 H ALA 39 HN ALA 39 10.415 -3.667 -3.859
221 HA ALA 39 HA ALA 39 9.288 -3.640 -1.271
222 HB1 ALA 39 HB1 ALA 39 9.123 -1.381 -3.267
223 HB2 ALA 39 HB2 ALA 39 10.607 -1.786 -2.407
224 HB3 ALA 39 HB3 ALA 39 9.179 -1.273 -1.508
225 H MET 40 HN MET 40 7.860 -3.349 -4.488
226 HA MET 40 HA MET 40 5.245 -2.657 -3.662
227 HB2 MET 40 HB2 MET 40 6.354 -3.966 -6.137
228 HB3 MET 40 HB1 MET 40 4.623 -3.691 -5.931
229 HG2 MET 40 HG2 MET 40 6.707 -1.509 -5.661
230 HG3 MET 40 HG1 MET 40 5.838 -1.837 -7.159
231 HE1 MET 40 HE1 MET 40 2.374 -0.892 -6.768
232 HE2 MET 40 HE2 MET 40 2.624 -2.439 -5.963
233 HE3 MET 40 HE3 MET 40 3.548 -2.049 -7.411
234 H LYS 41 HN LYS 41 6.829 -5.765 -4.191
235 HA LYS 41 HA LYS 41 4.517 -7.366 -3.819
236 HB2 LYS 41 HB2 LYS 41 7.457 -7.986 -3.528
237 HB3 LYS 41 HB1 LYS 41 6.181 -9.198 -3.396
238 HG2 LYS 41 HG2 LYS 41 5.396 -8.643 -5.660
239 HG3 LYS 41 HG1 LYS 41 6.653 -7.411 -5.800
240 HD2 LYS 41 HD2 LYS 41 8.387 -9.144 -5.530
241 HD3 LYS 41 HD1 LYS 41 7.135 -10.377 -5.391
242 HE2 LYS 41 HE2 LYS 41 6.332 -9.830 -7.656
243 HE3 LYS 41 HE1 LYS 41 7.573 -8.586 -7.799
244 HZ1 LYS 41 HZ1 LYS 41 8.426 -11.287 -7.077
245 HZ2 LYS 41 HZ2 LYS 41 9.220 -10.112 -8.012
246 HZ3 LYS 41 HZ3 LYS 41 7.950 -11.019 -8.683
247 H MET 42 HN MET 42 6.889 -5.994 -1.619
248 HA MET 42 HA MET 42 6.308 -7.525 0.664
249 HB2 MET 42 HB2 MET 42 7.390 -4.743 0.275
250 HB3 MET 42 HB1 MET 42 7.157 -5.427 1.882
251 HG2 MET 42 HG2 MET 42 8.633 -7.283 1.365
252 HG3 MET 42 HG1 MET 42 8.773 -6.754 -0.309
253 HE1 MET 42 HE1 MET 42 10.498 -4.922 3.477
254 HE2 MET 42 HE2 MET 42 9.160 -6.051 3.286
255 HE3 MET 42 HE3 MET 42 8.895 -4.330 3.020
256 H ILE 43 HN ILE 43 4.916 -4.456 -0.469
257 HA ILE 43 HA ILE 43 3.139 -4.193 1.763
258 HB ILE 43 HB ILE 43 2.073 -2.423 0.361
259 HG12 ILE 43 HG12 ILE 43 4.241 -3.126 -1.623
260 HG13 ILE 43 HG11 ILE 43 2.565 -3.629 -1.819
261 HG21 ILE 43 HG21 ILE 43 4.793 -2.567 1.334
262 HG22 ILE 43 HG22 ILE 43 3.688 -1.192 1.340
263 HG23 ILE 43 HG23 ILE 43 4.710 -1.495 -0.065
264 HD11 ILE 43 HD11 ILE 43 3.630 -0.798 -1.704
265 HD12 ILE 43 HD12 ILE 43 1.912 -1.194 -1.638
266 HD13 ILE 43 HD13 ILE 43 2.856 -1.595 -3.074
267 H ILE 44 HN ILE 44 3.003 -5.798 -1.318
268 HA ILE 44 HA ILE 44 0.201 -6.036 -1.564
269 HB ILE 44 HB ILE 44 2.523 -7.589 -2.655
270 HG12 ILE 44 HG12 ILE 44 0.300 -6.078 -4.053
271 HG13 ILE 44 HG11 ILE 44 1.794 -5.302 -3.531
272 HG21 ILE 44 HG21 ILE 44 0.962 -9.333 -2.474
273 HG22 ILE 44 HG22 ILE 44 0.657 -8.699 -4.090
274 HG23 ILE 44 HG23 ILE 44 -0.410 -8.262 -2.756
275 HD11 ILE 44 HD11 ILE 44 2.954 -6.171 -5.264
276 HD12 ILE 44 HD12 ILE 44 1.390 -6.610 -5.950
277 HD13 ILE 44 HD13 ILE 44 2.290 -7.783 -4.987
278 H ASN 45 HN ASN 45 2.633 -8.079 0.001
279 HA ASN 45 HA ASN 45 0.947 -10.229 0.675
280 HB2 ASN 45 HB2 ASN 45 3.472 -9.128 1.901
281 HB3 ASN 45 HB1 ASN 45 2.653 -10.531 2.585
282 HD21 ASN 45 HD21 ASN 45 5.282 -10.720 1.432
283 HD22 ASN 45 HD22 ASN 45 5.173 -11.677 0.032
284 H ASP 46 HN ASP 46 1.710 -7.200 2.361
285 HA ASP 46 HA ASP 46 0.572 -7.607 4.797
286 HB2 ASP 46 HB2 ASP 46 1.680 -5.532 4.145
287 HB3 ASP 46 HB1 ASP 46 0.287 -5.085 3.161
288 HA PRO 47 HA PRO 47 -3.618 -8.911 3.468
289 HB2 PRO 47 HB2 PRO 47 -4.076 -8.364 6.372
290 HB3 PRO 47 HB1 PRO 47 -4.548 -9.774 5.407
291 HG2 PRO 47 HG2 PRO 47 -2.485 -9.843 7.098
292 HG3 PRO 47 HG1 PRO 47 -2.477 -10.741 5.571
293 HD2 PRO 47 HD2 PRO 47 -0.981 -8.318 6.335
294 HD3 PRO 47 HD1 PRO 47 -0.590 -9.561 5.134
295 H ARG 48 HN ARG 48 -2.882 -6.100 5.493
296 HA ARG 48 HA ARG 48 -5.374 -4.790 5.275
297 HB2 ARG 48 HB2 ARG 48 -2.579 -3.736 5.729
298 HB3 ARG 48 HB1 ARG 48 -4.020 -2.722 5.800
299 HG2 ARG 48 HG2 ARG 48 -4.951 -4.104 7.585
300 HG3 ARG 48 HG1 ARG 48 -3.582 -5.211 7.474
301 HD2 ARG 48 HD2 ARG 48 -3.224 -3.678 9.336
302 HD3 ARG 48 HD1 ARG 48 -2.056 -3.335 8.065
303 HE ARG 48 HE ARG 48 -4.359 -1.713 7.715
304 HH11 ARG 48 HH21 ARG 48 -1.588 -2.168 9.737
305 HH12 ARG 48 HH22 ARG 48 -1.475 -0.501 10.191
306 HH21 ARG 48 HH11 ARG 48 -4.216 0.475 8.304
307 HH22 ARG 48 HH12 ARG 48 -2.963 0.996 9.382
308 H TYR 49 HN TYR 49 -2.558 -4.889 3.170
309 HA TYR 49 HA TYR 49 -3.184 -2.716 1.498
310 HB2 TYR 49 HB2 TYR 49 -1.006 -3.789 1.414
311 HB3 TYR 49 HB1 TYR 49 -1.737 -5.297 0.864
312 HD1 TYR 49 HD1 TYR 49 -1.254 -1.713 -0.044
313 HD2 TYR 49 HD2 TYR 49 -2.200 -5.667 -1.426
314 HE1 TYR 49 HE1 TYR 49 -1.120 -0.926 -2.391
315 HE2 TYR 49 HE2 TYR 49 -2.055 -4.883 -3.777
316 HH TYR 49 HH TYR 49 -2.311 -2.686 -4.990
317 H SER 50 HN SER 50 -4.085 -6.150 1.290
318 HA SER 50 HA SER 50 -5.432 -6.054 -1.166
319 HB2 SER 50 HB2 SER 50 -5.987 -7.784 1.254
320 HB3 SER 50 HB1 SER 50 -6.621 -8.075 -0.363
321 HG SER 50 HG SER 50 -4.597 -9.186 0.272
322 H ALA 51 HN ALA 51 -6.603 -5.474 2.135
323 HA ALA 51 HA ALA 51 -9.324 -5.080 1.442
324 HB1 ALA 51 HB1 ALA 51 -8.702 -5.528 3.739
325 HB2 ALA 51 HB2 ALA 51 -9.464 -3.940 3.660
326 HB3 ALA 51 HB3 ALA 51 -7.711 -4.071 3.795
327 H LEU 52 HN LEU 52 -6.540 -2.924 1.617
328 HA LEU 52 HA LEU 52 -7.916 -0.476 1.391
329 HB2 LEU 52 HB2 LEU 52 -5.542 -0.624 2.025
330 HB3 LEU 52 HB1 LEU 52 -5.145 -1.198 0.404
331 HG LEU 52 HG LEU 52 -6.724 1.282 0.409
332 HD11 LEU 52 HD11 LEU 52 -3.915 1.270 1.558
333 HD12 LEU 52 HD12 LEU 52 -5.385 1.679 2.443
334 HD13 LEU 52 HD13 LEU 52 -4.835 2.709 1.121
335 HD21 LEU 52 HD21 LEU 52 -5.217 1.861 -1.345
336 HD22 LEU 52 HD22 LEU 52 -5.467 0.123 -1.512
337 HD23 LEU 52 HD23 LEU 52 -3.991 0.734 -0.766
338 H ALA 53 HN ALA 53 -6.616 -2.683 -1.067
339 HA ALA 53 HA ALA 53 -7.210 -1.064 -3.312
340 HB1 ALA 53 HB1 ALA 53 -7.380 -3.977 -3.711
341 HB2 ALA 53 HB2 ALA 53 -5.896 -3.429 -2.933
342 HB3 ALA 53 HB3 ALA 53 -6.354 -2.786 -4.510
343 H LYS 54 HN LYS 54 -9.060 -3.542 -1.590
344 HA LYS 54 HA LYS 54 -11.237 -3.684 -3.386
345 HB2 LYS 54 HB2 LYS 54 -11.040 -4.238 -0.420
346 HB3 LYS 54 HB1 LYS 54 -12.481 -4.574 -1.380
347 HG2 LYS 54 HG2 LYS 54 -11.170 -6.046 -2.854
348 HG3 LYS 54 HG1 LYS 54 -9.716 -5.700 -1.917
349 HD2 LYS 54 HD2 LYS 54 -10.776 -6.663 0.091
350 HD3 LYS 54 HD1 LYS 54 -12.232 -7.008 -0.842
351 HE2 LYS 54 HE2 LYS 54 -10.936 -8.480 -2.335
352 HE3 LYS 54 HE1 LYS 54 -9.474 -8.132 -1.413
353 HZ1 LYS 54 HZ1 LYS 54 -10.029 -9.729 -0.009
354 HZ2 LYS 54 HZ2 LYS 54 -11.450 -10.047 -0.883
355 HZ3 LYS 54 HZ3 LYS 54 -11.464 -8.914 0.382
356 H LEU 55 HN LEU 55 -10.633 -1.662 -0.538
357 HA LEU 55 HA LEU 55 -11.850 0.090 0.358
358 HB2 LEU 55 HB2 LEU 55 -10.771 0.770 -2.039
359 HB3 LEU 55 HB1 LEU 55 -12.473 1.117 -2.343
360 HG LEU 55 HG LEU 55 -12.407 2.323 -0.037
361 HD11 LEU 55 HD11 LEU 55 -10.387 2.755 0.937
362 HD12 LEU 55 HD12 LEU 55 -9.562 2.915 -0.613
363 HD13 LEU 55 HD13 LEU 55 -9.877 1.314 0.057
364 HD21 LEU 55 HD21 LEU 55 -11.430 3.190 -2.703
365 HD22 LEU 55 HD22 LEU 55 -11.056 4.271 -1.360
366 HD23 LEU 55 HD23 LEU 55 -12.732 3.850 -1.712
367 H SER 56 HN SER 56 -13.940 1.609 -0.687
368 HA SER 56 HA SER 56 -16.245 1.601 -0.455
369 HB2 SER 56 HB2 SER 56 -16.218 1.324 -2.793
370 HB3 SER 56 HB1 SER 56 -15.638 -0.336 -2.679
371 HG SER 56 HG SER 56 -17.634 -0.951 -2.551
Start of MODEL 10
1 H THR 13 HN THR 13 -10.690 12.419 -8.011
2 HA THR 13 HA THR 13 -9.373 10.553 -7.758
3 HB THR 13 HB THR 13 -7.028 11.790 -6.620
4 HG1 THR 13 HG1 THR 13 -7.371 13.036 -8.972
5 HG21 THR 13 HG21 THR 13 -6.048 11.052 -8.724
6 HG22 THR 13 HG22 THR 13 -7.648 10.867 -9.439
7 HG23 THR 13 HG23 THR 13 -7.140 9.803 -8.128
8 H LYS 14 HN LYS 14 -7.678 9.556 -6.036
9 HA LYS 14 HA LYS 14 -9.118 9.664 -3.474
10 HB2 LYS 14 HB2 LYS 14 -7.158 7.627 -4.560
11 HB3 LYS 14 HB1 LYS 14 -7.989 7.515 -3.009
12 HG2 LYS 14 HG2 LYS 14 -9.666 7.972 -5.434
13 HG3 LYS 14 HG1 LYS 14 -8.977 6.364 -5.212
14 HD2 LYS 14 HD2 LYS 14 -10.022 6.120 -3.064
15 HD3 LYS 14 HD1 LYS 14 -10.504 7.817 -3.040
16 HE2 LYS 14 HE2 LYS 14 -11.964 7.422 -4.999
17 HE3 LYS 14 HE1 LYS 14 -11.502 5.720 -4.991
18 HZ1 LYS 14 HZ1 LYS 14 -13.296 7.162 -3.229
19 HZ2 LYS 14 HZ2 LYS 14 -12.258 6.060 -2.459
20 HZ3 LYS 14 HZ3 LYS 14 -13.304 5.529 -3.688
21 H GLU 15 HN GLU 15 -8.122 11.632 -2.762
22 HA GLU 15 HA GLU 15 -5.313 11.969 -2.544
23 HB2 GLU 15 HB2 GLU 15 -7.613 13.249 -1.054
24 HB3 GLU 15 HB1 GLU 15 -5.931 13.753 -0.883
25 HG2 GLU 15 HG2 GLU 15 -5.806 14.256 -3.273
26 HG3 GLU 15 HG1 GLU 15 -7.452 13.672 -3.504
27 H GLU 16 HN GLU 16 -7.758 10.599 -0.404
28 HA GLU 16 HA GLU 16 -6.131 10.368 1.904
29 HB2 GLU 16 HB2 GLU 16 -8.562 8.812 1.000
30 HB3 GLU 16 HB1 GLU 16 -7.815 8.631 2.588
31 HG2 GLU 16 HG2 GLU 16 -8.195 10.997 3.074
32 HG3 GLU 16 HG1 GLU 16 -8.860 11.244 1.460
33 H ALA 17 HN ALA 17 -6.719 8.232 -0.850
34 HA ALA 17 HA ALA 17 -5.358 5.963 0.146
35 HB1 ALA 17 HB1 ALA 17 -6.861 5.855 -1.791
36 HB2 ALA 17 HB2 ALA 17 -5.258 5.249 -2.212
37 HB3 ALA 17 HB3 ALA 17 -5.752 6.865 -2.719
38 H LYS 18 HN LYS 18 -4.268 8.797 -1.663
39 HA LYS 18 HA LYS 18 -1.644 7.903 -2.210
40 HB2 LYS 18 HB2 LYS 18 -2.784 10.685 -1.888
41 HB3 LYS 18 HB1 LYS 18 -1.140 10.358 -2.439
42 HG2 LYS 18 HG2 LYS 18 -2.025 9.031 -4.318
43 HG3 LYS 18 HG1 LYS 18 -3.671 9.343 -3.768
44 HD2 LYS 18 HD2 LYS 18 -3.321 11.766 -4.074
45 HD3 LYS 18 HD1 LYS 18 -1.673 11.459 -4.622
46 HE2 LYS 18 HE2 LYS 18 -2.537 10.130 -6.507
47 HE3 LYS 18 HE1 LYS 18 -4.188 10.421 -5.960
48 HZ1 LYS 18 HZ1 LYS 18 -2.403 12.152 -7.401
49 HZ2 LYS 18 HZ2 LYS 18 -3.135 12.907 -6.066
50 HZ3 LYS 18 HZ3 LYS 18 -4.094 12.200 -7.277
51 H GLN 19 HN GLN 19 -3.029 9.684 0.522
52 HA GLN 19 HA GLN 19 -0.598 10.199 1.871
53 HB2 GLN 19 HB2 GLN 19 -2.714 11.351 2.405
54 HB3 GLN 19 HB1 GLN 19 -3.370 9.837 3.031
55 HG2 GLN 19 HG2 GLN 19 -1.694 9.745 4.766
56 HG3 GLN 19 HG1 GLN 19 -0.845 11.136 4.089
57 HE21 GLN 19 HE21 GLN 19 -1.795 11.190 6.778
58 HE22 GLN 19 HE22 GLN 19 -3.112 12.256 6.892
59 H ALA 20 HN ALA 20 -2.867 7.484 1.988
60 HA ALA 20 HA ALA 20 -1.694 6.118 4.165
61 HB1 ALA 20 HB1 ALA 20 -2.961 4.208 3.437
62 HB2 ALA 20 HB2 ALA 20 -3.113 4.863 1.807
63 HB3 ALA 20 HB3 ALA 20 -3.950 5.640 3.153
64 H PHE 21 HN PHE 21 -1.039 6.069 0.692
65 HA PHE 21 HA PHE 21 0.727 3.880 0.643
66 HB2 PHE 21 HB2 PHE 21 -0.207 4.887 -1.394
67 HB3 PHE 21 HB1 PHE 21 0.724 6.357 -1.099
68 HD1 PHE 21 HD1 PHE 21 1.114 2.666 -1.575
69 HD2 PHE 21 HD2 PHE 21 2.928 6.546 -1.896
70 HE1 PHE 21 HE1 PHE 21 3.071 1.656 -2.713
71 HE2 PHE 21 HE2 PHE 21 4.887 5.535 -3.034
72 HZ PHE 21 HZ PHE 21 4.958 3.091 -3.442
73 H LYS 22 HN LYS 22 1.340 7.354 1.091
74 HA LYS 22 HA LYS 22 4.152 7.173 1.277
75 HB2 LYS 22 HB2 LYS 22 2.201 9.191 2.405
76 HB3 LYS 22 HB1 LYS 22 3.955 9.384 2.458
77 HG2 LYS 22 HG2 LYS 22 4.055 9.228 0.002
78 HG3 LYS 22 HG1 LYS 22 2.304 9.024 -0.061
79 HD2 LYS 22 HD2 LYS 22 2.005 11.237 0.987
80 HD3 LYS 22 HD1 LYS 22 3.755 11.445 1.051
81 HE2 LYS 22 HE2 LYS 22 3.872 11.290 -1.406
82 HE3 LYS 22 HE1 LYS 22 2.124 11.069 -1.478
83 HZ1 LYS 22 HZ1 LYS 22 3.628 13.471 -1.199
84 HZ2 LYS 22 HZ2 LYS 22 2.497 13.308 0.057
85 HZ3 LYS 22 HZ3 LYS 22 1.983 13.268 -1.562
86 H GLU 23 HN GLU 23 1.592 6.995 3.720
87 HA GLU 23 HA GLU 23 3.297 6.917 5.983
88 HB2 GLU 23 HB2 GLU 23 0.859 7.392 6.090
89 HB3 GLU 23 HB1 GLU 23 0.538 5.708 5.674
90 HG2 GLU 23 HG2 GLU 23 1.716 4.956 7.685
91 HG3 GLU 23 HG1 GLU 23 2.127 6.621 8.089
92 H LEU 24 HN LEU 24 2.015 4.416 3.846
93 HA LEU 24 HA LEU 24 2.784 2.185 5.375
94 HB2 LEU 24 HB2 LEU 24 1.235 2.069 3.433
95 HB3 LEU 24 HB1 LEU 24 2.584 2.417 2.358
96 HG LEU 24 HG LEU 24 3.742 0.366 3.165
97 HD11 LEU 24 HD11 LEU 24 1.368 0.339 4.973
98 HD12 LEU 24 HD12 LEU 24 3.027 -0.158 5.291
99 HD13 LEU 24 HD13 LEU 24 1.950 -1.214 4.379
100 HD21 LEU 24 HD21 LEU 24 2.044 -1.273 2.204
101 HD22 LEU 24 HD22 LEU 24 2.475 0.090 1.170
102 HD23 LEU 24 HD23 LEU 24 0.948 0.101 2.053
103 H LEU 25 HN LEU 25 4.492 4.028 2.878
104 HA LEU 25 HA LEU 25 6.783 2.385 2.734
105 HB2 LEU 25 HB2 LEU 25 6.393 5.336 2.183
106 HB3 LEU 25 HB1 LEU 25 7.886 4.479 1.832
107 HG LEU 25 HG LEU 25 5.166 3.655 0.766
108 HD11 LEU 25 HD11 LEU 25 6.521 4.491 -1.414
109 HD12 LEU 25 HD12 LEU 25 7.202 5.588 -0.213
110 HD13 LEU 25 HD13 LEU 25 5.460 5.553 -0.487
111 HD21 LEU 25 HD21 LEU 25 7.096 2.641 -0.902
112 HD22 LEU 25 HD22 LEU 25 6.351 1.742 0.416
113 HD23 LEU 25 HD23 LEU 25 7.901 2.533 0.657
114 H LYS 26 HN LYS 26 5.998 5.177 4.762
115 HA LYS 26 HA LYS 26 8.520 5.437 6.004
116 HB2 LYS 26 HB2 LYS 26 5.742 6.166 6.953
117 HB3 LYS 26 HB1 LYS 26 7.218 6.611 7.810
118 HG2 LYS 26 HG2 LYS 26 8.030 7.803 5.812
119 HG3 LYS 26 HG1 LYS 26 6.563 7.351 4.942
120 HD2 LYS 26 HD2 LYS 26 5.199 8.573 6.593
121 HD3 LYS 26 HD1 LYS 26 6.662 9.026 7.469
122 HE2 LYS 26 HE2 LYS 26 7.491 10.223 5.479
123 HE3 LYS 26 HE1 LYS 26 6.035 9.766 4.595
124 HZ1 LYS 26 HZ1 LYS 26 4.770 11.231 5.732
125 HZ2 LYS 26 HZ2 LYS 26 6.251 12.045 5.903
126 HZ3 LYS 26 HZ3 LYS 26 5.657 11.078 7.169
127 H GLU 27 HN GLU 27 5.662 3.511 6.806
128 HA GLU 27 HA GLU 27 6.510 2.588 9.328
129 HB2 GLU 27 HB2 GLU 27 4.198 2.350 8.450
130 HB3 GLU 27 HB1 GLU 27 4.782 1.139 7.308
131 HG2 GLU 27 HG2 GLU 27 5.528 -0.287 9.157
132 HG3 GLU 27 HG1 GLU 27 5.029 0.937 10.322
133 H LYS 28 HN LYS 28 7.108 1.391 6.058
134 HA LYS 28 HA LYS 28 8.733 -0.810 7.125
135 HB2 LYS 28 HB2 LYS 28 7.804 -0.147 4.323
136 HB3 LYS 28 HB1 LYS 28 8.845 -1.515 4.723
137 HG2 LYS 28 HG2 LYS 28 7.114 -2.394 6.245
138 HG3 LYS 28 HG1 LYS 28 6.070 -1.029 5.846
139 HD2 LYS 28 HD2 LYS 28 6.053 -1.722 3.481
140 HD3 LYS 28 HD1 LYS 28 7.102 -3.085 3.872
141 HE2 LYS 28 HE2 LYS 28 5.383 -3.984 5.392
142 HE3 LYS 28 HE1 LYS 28 4.332 -2.619 5.014
143 HZ1 LYS 28 HZ1 LYS 28 5.112 -3.665 2.588
144 HZ2 LYS 28 HZ2 LYS 28 3.583 -3.802 3.316
145 HZ3 LYS 28 HZ3 LYS 28 4.751 -5.013 3.551
146 H ARG 29 HN ARG 29 10.918 -1.047 6.660
147 HA ARG 29 HA ARG 29 12.451 1.325 6.504
148 HB2 ARG 29 HB2 ARG 29 13.182 -1.590 6.191
149 HB3 ARG 29 HB1 ARG 29 14.376 -0.292 6.162
150 HG2 ARG 29 HG2 ARG 29 13.663 0.440 8.397
151 HG3 ARG 29 HG1 ARG 29 12.431 -0.822 8.428
152 HD2 ARG 29 HD2 ARG 29 14.175 -2.547 8.267
153 HD3 ARG 29 HD1 ARG 29 15.415 -1.302 8.193
154 HE ARG 29 HE ARG 29 15.133 -0.929 10.493
155 HH11 ARG 29 HH21 ARG 29 12.751 -3.083 9.198
156 HH12 ARG 29 HH22 ARG 29 12.152 -3.570 10.746
157 HH21 ARG 29 HH11 ARG 29 14.390 -1.611 12.528
158 HH22 ARG 29 HH12 ARG 29 13.103 -2.766 12.632
159 H VAL 30 HN VAL 30 11.611 -1.139 4.101
160 HA VAL 30 HA VAL 30 12.057 -1.253 1.830
161 HB VAL 30 HB VAL 30 11.185 1.618 2.196
162 HG11 VAL 30 HG11 VAL 30 11.869 1.811 0.033
163 HG12 VAL 30 HG12 VAL 30 10.424 0.868 -0.324
164 HG13 VAL 30 HG13 VAL 30 11.987 0.064 -0.183
165 HG21 VAL 30 HG21 VAL 30 9.775 -0.608 2.764
166 HG22 VAL 30 HG22 VAL 30 9.463 -0.516 1.030
167 HG23 VAL 30 HG23 VAL 30 9.026 0.834 2.078
168 HA PRO 31 HA PRO 31 16.379 0.498 2.505
169 HB2 PRO 31 HB2 PRO 31 16.823 -1.974 0.881
170 HB3 PRO 31 HB1 PRO 31 17.741 -1.359 2.268
171 HG2 PRO 31 HG2 PRO 31 16.045 -3.412 2.491
172 HG3 PRO 31 HG1 PRO 31 16.276 -2.233 3.794
173 HD2 PRO 31 HD2 PRO 31 13.962 -2.578 1.965
174 HD3 PRO 31 HD1 PRO 31 14.014 -1.893 3.604
175 H SER 32 HN SER 32 17.400 1.803 1.059
176 HA SER 32 HA SER 32 16.190 2.248 -1.510
177 HB2 SER 32 HB2 SER 32 17.542 4.148 -1.643
178 HB3 SER 32 HB1 SER 32 17.323 3.961 0.095
179 HG SER 32 HG SER 32 19.417 3.862 0.153
180 H ASN 33 HN ASN 33 17.470 2.327 -3.526
181 HA ASN 33 HA ASN 33 18.668 1.228 -5.152
182 HB2 ASN 33 HB2 ASN 33 20.567 0.987 -2.811
183 HB3 ASN 33 HB1 ASN 33 20.989 0.508 -4.454
184 HD21 ASN 33 HD21 ASN 33 19.481 2.687 -5.760
185 HD22 ASN 33 HD22 ASN 33 20.298 4.130 -5.412
186 H ALA 34 HN ALA 34 16.692 -0.282 -3.685
187 HA ALA 34 HA ALA 34 17.896 -2.969 -3.566
188 HB1 ALA 34 HB1 ALA 34 15.369 -1.769 -2.460
189 HB2 ALA 34 HB2 ALA 34 16.656 -2.621 -1.607
190 HB3 ALA 34 HB3 ALA 34 15.536 -3.516 -2.634
191 H SER 35 HN SER 35 14.509 -2.517 -4.169
192 HA SER 35 HA SER 35 14.604 -2.754 -7.013
193 HB2 SER 35 HB2 SER 35 15.317 -5.017 -6.574
194 HB3 SER 35 HB1 SER 35 14.033 -5.242 -5.391
195 HG SER 35 HG SER 35 13.770 -5.982 -7.724
196 H TRP 36 HN TRP 36 12.796 -1.820 -7.691
197 HA TRP 36 HA TRP 36 10.671 -1.097 -5.980
198 HB2 TRP 36 HB2 TRP 36 10.890 -1.182 -8.993
199 HB3 TRP 36 HB1 TRP 36 9.485 -0.536 -8.144
200 HD1 TRP 36 HD1 TRP 36 12.989 0.303 -9.165
201 HE1 TRP 36 HE1 TRP 36 13.593 2.676 -8.353
202 HE3 TRP 36 HE3 TRP 36 9.018 1.217 -6.089
203 HZ2 TRP 36 HZ2 TRP 36 12.530 4.693 -6.626
204 HZ3 TRP 36 HZ3 TRP 36 8.838 3.369 -4.873
205 HH2 TRP 36 HH2 TRP 36 10.588 5.106 -5.137
206 H GLU 37 HN GLU 37 11.089 -3.777 -8.241
207 HA GLU 37 HA GLU 37 8.458 -4.754 -8.237
208 HB2 GLU 37 HB2 GLU 37 10.250 -5.530 -9.776
209 HB3 GLU 37 HB1 GLU 37 11.020 -6.359 -8.423
210 HG2 GLU 37 HG2 GLU 37 9.025 -7.743 -8.096
211 HG3 GLU 37 HG1 GLU 37 8.195 -6.881 -9.390
212 H GLN 38 HN GLN 38 11.204 -5.516 -6.106
213 HA GLN 38 HA GLN 38 9.809 -7.423 -4.524
214 HB2 GLN 38 HB2 GLN 38 12.258 -5.742 -3.950
215 HB3 GLN 38 HB1 GLN 38 11.671 -7.024 -2.890
216 HG2 GLN 38 HG2 GLN 38 11.908 -8.664 -4.688
217 HG3 GLN 38 HG1 GLN 38 12.435 -7.401 -5.800
218 HE21 GLN 38 HE21 GLN 38 14.362 -9.138 -5.759
219 HE22 GLN 38 HE22 GLN 38 15.587 -8.831 -4.625
220 H ALA 39 HN ALA 39 10.371 -3.939 -4.203
221 HA ALA 39 HA ALA 39 9.256 -3.616 -1.634
222 HB1 ALA 39 HB1 ALA 39 10.070 -1.891 -3.855
223 HB2 ALA 39 HB2 ALA 39 10.213 -1.632 -2.117
224 HB3 ALA 39 HB3 ALA 39 8.704 -1.249 -2.943
225 H MET 40 HN MET 40 7.810 -3.582 -4.861
226 HA MET 40 HA MET 40 5.227 -2.733 -4.090
227 HB2 MET 40 HB2 MET 40 6.265 -4.298 -6.440
228 HB3 MET 40 HB1 MET 40 4.547 -3.945 -6.246
229 HG2 MET 40 HG2 MET 40 5.005 -1.549 -6.183
230 HG3 MET 40 HG1 MET 40 6.738 -1.849 -6.242
231 HE1 MET 40 HE1 MET 40 3.873 -3.797 -8.489
232 HE2 MET 40 HE2 MET 40 3.572 -2.356 -9.453
233 HE3 MET 40 HE3 MET 40 3.400 -2.286 -7.704
234 H LYS 41 HN LYS 41 6.707 -5.932 -4.346
235 HA LYS 41 HA LYS 41 4.351 -7.417 -3.819
236 HB2 LYS 41 HB2 LYS 41 6.392 -8.377 -4.857
237 HB3 LYS 41 HB1 LYS 41 7.218 -8.223 -3.308
238 HG2 LYS 41 HG2 LYS 41 5.589 -9.712 -2.254
239 HG3 LYS 41 HG1 LYS 41 4.675 -9.815 -3.758
240 HD2 LYS 41 HD2 LYS 41 6.645 -10.819 -4.876
241 HD3 LYS 41 HD1 LYS 41 7.533 -10.748 -3.353
242 HE2 LYS 41 HE2 LYS 41 4.914 -12.229 -3.713
243 HE3 LYS 41 HE1 LYS 41 6.500 -12.994 -3.811
244 HZ1 LYS 41 HZ1 LYS 41 6.456 -11.465 -1.488
245 HZ2 LYS 41 HZ2 LYS 41 6.490 -13.158 -1.620
246 HZ3 LYS 41 HZ3 LYS 41 5.004 -12.341 -1.519
247 H MET 42 HN MET 42 6.799 -5.949 -1.776
248 HA MET 42 HA MET 42 6.185 -7.271 0.628
249 HB2 MET 42 HB2 MET 42 7.405 -4.587 0.003
250 HB3 MET 42 HB1 MET 42 7.148 -5.115 1.665
251 HG2 MET 42 HG2 MET 42 8.517 -7.096 1.296
252 HG3 MET 42 HG1 MET 42 8.684 -6.704 -0.409
253 HE1 MET 42 HE1 MET 42 10.497 -4.704 3.240
254 HE2 MET 42 HE2 MET 42 9.087 -5.750 3.115
255 HE3 MET 42 HE3 MET 42 8.942 -4.038 2.726
256 H ILE 43 HN ILE 43 4.933 -4.243 -0.734
257 HA ILE 43 HA ILE 43 3.201 -3.712 1.480
258 HB ILE 43 HB ILE 43 2.206 -2.012 -0.057
259 HG12 ILE 43 HG12 ILE 43 4.300 -3.003 -1.992
260 HG13 ILE 43 HG11 ILE 43 2.590 -3.409 -2.132
261 HG21 ILE 43 HG21 ILE 43 4.235 -0.640 -0.205
262 HG22 ILE 43 HG22 ILE 43 5.239 -2.075 -0.000
263 HG23 ILE 43 HG23 ILE 43 4.213 -1.523 1.322
264 HD11 ILE 43 HD11 ILE 43 3.650 -0.576 -2.055
265 HD12 ILE 43 HD12 ILE 43 1.992 -1.081 -2.377
266 HD13 ILE 43 HD13 ILE 43 3.267 -1.445 -3.540
267 H ILE 44 HN ILE 44 2.939 -5.539 -1.463
268 HA ILE 44 HA ILE 44 0.121 -5.656 -1.656
269 HB ILE 44 HB ILE 44 2.348 -7.400 -2.651
270 HG12 ILE 44 HG12 ILE 44 0.193 -5.945 -4.185
271 HG13 ILE 44 HG11 ILE 44 1.658 -5.123 -3.659
272 HG21 ILE 44 HG21 ILE 44 0.403 -8.507 -3.987
273 HG22 ILE 44 HG22 ILE 44 -0.611 -7.928 -2.664
274 HG23 ILE 44 HG23 ILE 44 0.711 -9.049 -2.337
275 HD11 ILE 44 HD11 ILE 44 2.943 -6.166 -5.219
276 HD12 ILE 44 HD12 ILE 44 1.410 -6.505 -6.021
277 HD13 ILE 44 HD13 ILE 44 2.142 -7.717 -4.970
278 H ASN 45 HN ASN 45 2.483 -7.712 0.004
279 HA ASN 45 HA ASN 45 0.680 -9.697 0.879
280 HB2 ASN 45 HB2 ASN 45 3.095 -10.038 0.954
281 HB3 ASN 45 HB1 ASN 45 3.264 -8.734 2.130
282 HD21 ASN 45 HD21 ASN 45 1.751 -11.962 1.694
283 HD22 ASN 45 HD22 ASN 45 1.686 -12.323 3.352
284 H ASP 46 HN ASP 46 1.712 -6.630 2.311
285 HA ASP 46 HA ASP 46 0.713 -6.797 4.790
286 HB2 ASP 46 HB2 ASP 46 1.535 -4.722 3.121
287 HB3 ASP 46 HB1 ASP 46 0.020 -4.217 3.867
288 HA PRO 47 HA PRO 47 -3.685 -7.642 4.281
289 HB2 PRO 47 HB2 PRO 47 -3.847 -5.988 6.772
290 HB3 PRO 47 HB1 PRO 47 -4.543 -7.583 6.432
291 HG2 PRO 47 HG2 PRO 47 -2.371 -7.288 7.957
292 HG3 PRO 47 HG1 PRO 47 -2.590 -8.683 6.887
293 HD2 PRO 47 HD2 PRO 47 -0.760 -6.374 6.608
294 HD3 PRO 47 HD1 PRO 47 -0.646 -8.042 5.969
295 H ARG 48 HN ARG 48 -2.378 -4.433 4.896
296 HA ARG 48 HA ARG 48 -4.664 -2.875 4.453
297 HB2 ARG 48 HB2 ARG 48 -1.738 -2.320 3.951
298 HB3 ARG 48 HB1 ARG 48 -2.996 -1.102 3.745
299 HG2 ARG 48 HG2 ARG 48 -3.684 -1.384 6.085
300 HG3 ARG 48 HG1 ARG 48 -2.468 -2.644 6.304
301 HD2 ARG 48 HD2 ARG 48 -0.683 -1.025 5.798
302 HD3 ARG 48 HD1 ARG 48 -1.883 0.233 5.540
303 HE ARG 48 HE ARG 48 -2.186 0.379 7.860
304 HH11 ARG 48 HH21 ARG 48 -0.117 -2.245 6.951
305 HH12 ARG 48 HH22 ARG 48 0.314 -2.648 8.576
306 HH21 ARG 48 HH11 ARG 48 -1.442 0.001 9.969
307 HH22 ARG 48 HH12 ARG 48 -0.388 -1.338 10.285
308 H TYR 49 HN TYR 49 -2.488 -4.471 2.218
309 HA TYR 49 HA TYR 49 -3.159 -3.129 -0.152
310 HB2 TYR 49 HB2 TYR 49 -1.302 -4.694 -0.056
311 HB3 TYR 49 HB1 TYR 49 -2.401 -6.029 0.280
312 HD1 TYR 49 HD2 TYR 49 -1.371 -3.535 -2.266
313 HD2 TYR 49 HD1 TYR 49 -3.678 -7.071 -1.465
314 HE1 TYR 49 HE2 TYR 49 -1.721 -3.860 -4.701
315 HE2 TYR 49 HE1 TYR 49 -4.025 -7.395 -3.901
316 HH TYR 49 HH TYR 49 -3.124 -4.963 -6.224
317 H SER 50 HN SER 50 -4.634 -5.999 1.359
318 HA SER 50 HA SER 50 -6.570 -6.497 -0.619
319 HB2 SER 50 HB2 SER 50 -6.697 -7.016 2.360
320 HB3 SER 50 HB1 SER 50 -7.779 -7.718 1.161
321 HG SER 50 HG SER 50 -5.031 -8.148 1.589
322 H ALA 51 HN ALA 51 -6.673 -4.457 2.283
323 HA ALA 51 HA ALA 51 -9.389 -3.687 2.044
324 HB1 ALA 51 HB1 ALA 51 -8.985 -2.328 3.845
325 HB2 ALA 51 HB2 ALA 51 -7.428 -1.782 3.220
326 HB3 ALA 51 HB3 ALA 51 -7.568 -3.368 3.978
327 H LEU 52 HN LEU 52 -6.389 -2.387 0.719
328 HA LEU 52 HA LEU 52 -7.407 0.051 -0.256
329 HB2 LEU 52 HB2 LEU 52 -5.074 -1.690 -1.011
330 HB3 LEU 52 HB1 LEU 52 -5.461 -0.254 -1.957
331 HG LEU 52 HG LEU 52 -5.312 -0.025 1.030
332 HD11 LEU 52 HD11 LEU 52 -3.044 -0.503 -0.859
333 HD12 LEU 52 HD12 LEU 52 -3.208 -0.959 0.837
334 HD13 LEU 52 HD13 LEU 52 -2.820 0.706 0.406
335 HD21 LEU 52 HD21 LEU 52 -4.204 1.955 -0.911
336 HD22 LEU 52 HD22 LEU 52 -5.098 2.230 0.585
337 HD23 LEU 52 HD23 LEU 52 -5.954 1.760 -0.880
338 H ALA 53 HN ALA 53 -7.220 -3.175 -1.710
339 HA ALA 53 HA ALA 53 -8.152 -2.455 -4.280
340 HB1 ALA 53 HB1 ALA 53 -9.010 -5.104 -3.533
341 HB2 ALA 53 HB2 ALA 53 -7.364 -4.819 -2.967
342 HB3 ALA 53 HB3 ALA 53 -7.755 -4.624 -4.675
343 H LYS 54 HN LYS 54 -9.824 -3.417 -1.317
344 HA LYS 54 HA LYS 54 -12.430 -3.327 -2.601
345 HB2 LYS 54 HB2 LYS 54 -11.579 -3.754 0.270
346 HB3 LYS 54 HB1 LYS 54 -13.256 -3.780 -0.275
347 HG2 LYS 54 HG2 LYS 54 -12.731 -5.614 -1.834
348 HG3 LYS 54 HG1 LYS 54 -11.049 -5.588 -1.303
349 HD2 LYS 54 HD2 LYS 54 -11.758 -6.138 0.994
350 HD3 LYS 54 HD1 LYS 54 -13.443 -6.160 0.471
351 HE2 LYS 54 HE2 LYS 54 -12.938 -7.994 -1.097
352 HE3 LYS 54 HE1 LYS 54 -11.250 -7.970 -0.586
353 HZ1 LYS 54 HZ1 LYS 54 -12.212 -8.301 1.745
354 HZ2 LYS 54 HZ2 LYS 54 -12.192 -9.636 0.695
355 HZ3 LYS 54 HZ3 LYS 54 -13.634 -8.777 0.954
356 H LEU 55 HN LEU 55 -10.292 -1.117 -1.183
357 HA LEU 55 HA LEU 55 -10.519 1.030 -0.365
358 HB2 LEU 55 HB2 LEU 55 -11.908 0.751 -2.862
359 HB3 LEU 55 HB1 LEU 55 -12.760 1.920 -1.851
360 HG LEU 55 HG LEU 55 -9.774 1.979 -2.376
361 HD11 LEU 55 HD11 LEU 55 -12.001 3.656 -3.572
362 HD12 LEU 55 HD12 LEU 55 -11.073 2.427 -4.430
363 HD13 LEU 55 HD13 LEU 55 -10.275 3.888 -3.849
364 HD21 LEU 55 HD21 LEU 55 -9.721 3.556 -0.766
365 HD22 LEU 55 HD22 LEU 55 -11.416 3.215 -0.417
366 HD23 LEU 55 HD23 LEU 55 -10.992 4.468 -1.582
367 H SER 56 HN SER 56 -12.367 -1.200 0.723
368 HA SER 56 HA SER 56 -13.944 0.601 2.401
369 HB2 SER 56 HB2 SER 56 -15.986 -0.799 2.086
370 HB3 SER 56 HB1 SER 56 -15.517 0.081 0.635
371 HG SER 56 HG SER 56 -14.407 -2.441 0.995
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