Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
640056 | 6oq9 RC | 30603 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 H1 GLY 1 HT1 GLY 1 -2.957 -18.550 10.302
2 H2 GLY 1 HT2 GLY 1 -3.857 -17.124 10.408
3 H3 GLY 1 HT3 GLY 1 -3.908 -18.254 11.667
4 HA2 GLY 1 HA1 GLY 1 -1.581 -17.866 12.139
5 HA3 GLY 1 HA2 GLY 1 -1.547 -16.680 10.843
6 H SER 2 HN SER 2 -2.329 -17.300 14.113
7 HA SER 2 HA SER 2 -4.030 -15.076 14.567
8 HB2 SER 2 HB2 SER 2 -2.314 -16.560 16.563
9 HB3 SER 2 HB1 SER 2 -3.717 -15.558 16.922
10 HG SER 2 HG SER 2 -4.185 -17.567 15.086
11 H VAL 3 HN VAL 3 -0.588 -15.435 14.345
12 HA VAL 3 HA VAL 3 -0.086 -12.886 15.646
13 HB VAL 3 HB VAL 3 1.521 -14.730 15.985
14 HG11 VAL 3 HG11 VAL 3 1.333 -15.844 13.847
15 HG12 VAL 3 HG12 VAL 3 3.016 -15.438 14.181
16 HG13 VAL 3 HG13 VAL 3 2.085 -14.469 13.039
17 HG21 VAL 3 HG21 VAL 3 2.329 -12.450 16.205
18 HG22 VAL 3 HG22 VAL 3 2.684 -12.386 14.480
19 HG23 VAL 3 HG23 VAL 3 3.590 -13.477 15.525
20 H GLU 4 HN GLU 4 -0.416 -14.211 12.508
21 HA GLU 4 HA GLU 4 0.751 -12.217 10.910
22 HB2 GLU 4 HB2 GLU 4 -1.703 -13.851 10.198
23 HB3 GLU 4 HB1 GLU 4 -0.657 -12.988 9.082
24 HG2 GLU 4 HG2 GLU 4 0.097 -15.350 10.783
25 HG3 GLU 4 HG1 GLU 4 -0.204 -15.357 9.046
26 H LYS 5 HN LYS 5 -2.797 -12.446 11.618
27 HA LYS 5 HA LYS 5 -4.307 -10.818 11.962
28 HB2 LYS 5 HB2 LYS 5 -1.932 -9.057 12.625
29 HB3 LYS 5 HB1 LYS 5 -3.611 -8.755 13.052
30 HG2 LYS 5 HG2 LYS 5 -3.585 -10.747 14.487
31 HG3 LYS 5 HG1 LYS 5 -1.890 -11.011 14.068
32 HD2 LYS 5 HD2 LYS 5 -1.425 -8.708 14.974
33 HD3 LYS 5 HD1 LYS 5 -3.082 -8.694 15.581
34 HE2 LYS 5 HE2 LYS 5 -0.904 -10.644 16.315
35 HE3 LYS 5 HE1 LYS 5 -1.567 -9.375 17.340
36 HZ1 LYS 5 HZ1 LYS 5 -3.738 -10.539 17.182
37 HZ2 LYS 5 HZ2 LYS 5 -2.542 -11.440 17.951
38 HZ3 LYS 5 HZ3 LYS 5 -2.970 -11.804 16.361
39 H LEU 6 HN LEU 6 -3.750 -11.364 9.400
40 HA LEU 6 HA LEU 6 -4.176 -10.593 7.375
41 HB2 LEU 6 HB2 LEU 6 -3.833 -7.827 8.514
42 HB3 LEU 6 HB1 LEU 6 -4.191 -8.151 6.831
43 HG LEU 6 HG LEU 6 -5.955 -8.724 9.207
44 HD11 LEU 6 HD11 LEU 6 -7.468 -7.151 8.125
45 HD12 LEU 6 HD12 LEU 6 -6.298 -6.905 6.830
46 HD13 LEU 6 HD13 LEU 6 -5.912 -6.398 8.474
47 HD21 LEU 6 HD21 LEU 6 -6.211 -10.559 7.680
48 HD22 LEU 6 HD22 LEU 6 -6.311 -9.461 6.305
49 HD23 LEU 6 HD23 LEU 6 -7.602 -9.491 7.505
50 H THR 7 HN THR 7 -1.365 -8.997 8.960
51 HA THR 7 HA THR 7 0.136 -9.927 6.795
52 HB THR 7 HB THR 7 -0.584 -7.983 5.694
53 HG1 THR 7 HG1 THR 7 1.349 -7.400 5.081
54 HG21 THR 7 HG21 THR 7 -0.268 -5.702 6.611
55 HG22 THR 7 HG22 THR 7 0.241 -6.412 8.143
56 HG23 THR 7 HG23 THR 7 -1.404 -6.661 7.559
57 H ALA 8 HN ALA 8 1.630 -10.908 8.350
58 HA ALA 8 HA ALA 8 2.886 -9.241 10.370
59 HB1 ALA 8 HB1 ALA 8 2.565 -11.629 10.859
60 HB2 ALA 8 HB2 ALA 8 4.275 -11.216 10.859
61 HB3 ALA 8 HB3 ALA 8 3.580 -12.060 9.481
62 H ASP 9 HN ASP 9 3.229 -10.024 7.174
63 HA ASP 9 HA ASP 9 5.990 -9.749 6.677
64 HB2 ASP 9 HB2 ASP 9 4.424 -10.707 5.021
65 HB3 ASP 9 HB1 ASP 9 3.663 -9.135 4.825
66 H ALA 10 HN ALA 10 3.325 -7.426 6.577
67 HA ALA 10 HA ALA 10 4.762 -5.150 5.851
68 HB1 ALA 10 HB1 ALA 10 2.318 -5.181 5.875
69 HB2 ALA 10 HB2 ALA 10 2.941 -3.839 6.830
70 HB3 ALA 10 HB3 ALA 10 2.328 -5.274 7.639
71 H GLU 11 HN GLU 11 4.590 -6.744 8.969
72 HA GLU 11 HA GLU 11 5.541 -4.428 10.398
73 HB2 GLU 11 HB2 GLU 11 4.059 -6.126 11.477
74 HB3 GLU 11 HB1 GLU 11 5.363 -7.302 11.346
75 HG2 GLU 11 HG2 GLU 11 6.735 -6.015 12.826
76 HG3 GLU 11 HG1 GLU 11 5.543 -4.721 12.868
77 H LEU 12 HN LEU 12 6.804 -7.461 9.263
78 HA LEU 12 HA LEU 12 9.455 -7.041 10.217
79 HB2 LEU 12 HB2 LEU 12 10.192 -8.869 8.763
80 HB3 LEU 12 HB1 LEU 12 8.756 -9.306 9.649
81 HG LEU 12 HG LEU 12 7.502 -8.701 7.432
82 HD11 LEU 12 HD11 LEU 12 9.377 -7.668 6.301
83 HD12 LEU 12 HD12 LEU 12 8.774 -9.072 5.423
84 HD13 LEU 12 HD13 LEU 12 10.266 -9.193 6.360
85 HD21 LEU 12 HD21 LEU 12 7.841 -10.981 6.611
86 HD22 LEU 12 HD22 LEU 12 7.615 -10.930 8.358
87 HD23 LEU 12 HD23 LEU 12 9.230 -11.154 7.685
88 H GLN 13 HN GLN 13 7.750 -5.975 7.425
89 HA GLN 13 HA GLN 13 10.002 -5.056 5.927
90 HB2 GLN 13 HB2 GLN 13 7.831 -5.368 4.828
91 HB3 GLN 13 HB1 GLN 13 7.117 -4.120 5.842
92 HG2 GLN 13 HG2 GLN 13 8.615 -2.465 4.836
93 HG3 GLN 13 HG1 GLN 13 9.281 -3.722 3.794
94 HE21 GLN 13 HE21 GLN 13 6.524 -1.740 4.488
95 HE22 GLN 13 HE22 GLN 13 5.689 -2.033 3.003
96 H ARG 14 HN ARG 14 7.737 -3.470 8.132
97 HA ARG 14 HA ARG 14 8.906 -0.905 8.037
98 HB2 ARG 14 HB2 ARG 14 6.633 -1.437 9.034
99 HB3 ARG 14 HB1 ARG 14 7.461 -2.122 10.423
100 HG2 ARG 14 HG2 ARG 14 7.894 0.731 9.583
101 HG3 ARG 14 HG1 ARG 14 6.534 0.257 10.599
102 HD2 ARG 14 HD2 ARG 14 9.464 -0.145 11.216
103 HD3 ARG 14 HD1 ARG 14 8.394 1.042 11.959
104 HE ARG 14 HE ARG 14 7.242 -1.453 12.350
105 HH11 ARG 14 HH11 ARG 14 10.139 0.272 13.361
106 HH12 ARG 14 HH12 ARG 14 10.318 -0.643 14.819
107 HH21 ARG 14 HH21 ARG 14 7.477 -2.648 14.279
108 HH22 ARG 14 HH22 ARG 14 8.792 -2.310 15.350
109 H LEU 15 HN LEU 15 9.486 -3.682 10.137
110 HA LEU 15 HA LEU 15 11.403 -2.485 11.807
111 HB2 LEU 15 HB2 LEU 15 10.251 -4.599 12.309
112 HB3 LEU 15 HB1 LEU 15 11.106 -5.377 10.995
113 HG LEU 15 HG LEU 15 13.231 -5.047 12.189
114 HD11 LEU 15 HD11 LEU 15 13.201 -4.320 14.531
115 HD12 LEU 15 HD12 LEU 15 11.487 -3.933 14.383
116 HD13 LEU 15 HD13 LEU 15 12.678 -3.038 13.440
117 HD21 LEU 15 HD21 LEU 15 11.104 -6.388 13.851
118 HD22 LEU 15 HD22 LEU 15 12.838 -6.701 13.920
119 HD23 LEU 15 HD23 LEU 15 11.927 -7.106 12.468
120 H LYS 16 HN LYS 16 11.683 -4.183 8.734
121 HA LYS 16 HA LYS 16 14.484 -4.294 8.564
122 HB2 LYS 16 HB2 LYS 16 13.054 -5.571 7.039
123 HB3 LYS 16 HB1 LYS 16 12.446 -4.081 6.328
124 HG2 LYS 16 HG2 LYS 16 14.658 -3.589 5.450
125 HG3 LYS 16 HG1 LYS 16 15.283 -5.068 6.186
126 HD2 LYS 16 HD2 LYS 16 13.824 -6.416 4.815
127 HD3 LYS 16 HD1 LYS 16 13.060 -4.972 4.152
128 HE2 LYS 16 HE2 LYS 16 15.160 -4.314 3.120
129 HE3 LYS 16 HE1 LYS 16 15.964 -5.710 3.831
130 HZ1 LYS 16 HZ1 LYS 16 14.604 -7.163 2.522
131 HZ2 LYS 16 HZ2 LYS 16 15.338 -6.044 1.492
132 HZ3 LYS 16 HZ3 LYS 16 13.712 -5.869 1.903
133 H ASN 17 HN ASN 17 12.218 -1.756 7.668
134 HA ASN 17 HA ASN 17 14.292 -0.077 6.556
135 HB2 ASN 17 HB2 ASN 17 11.376 0.457 7.143
136 HB3 ASN 17 HB1 ASN 17 12.473 1.718 6.601
137 HD21 ASN 17 HD21 ASN 17 10.139 0.632 5.295
138 HD22 ASN 17 HD22 ASN 17 10.672 0.032 3.764
139 H GLU 18 HN GLU 18 12.686 -0.463 9.597
140 HA GLU 18 HA GLU 18 13.495 1.867 10.905
141 HB2 GLU 18 HB2 GLU 18 11.914 0.020 11.710
142 HB3 GLU 18 HB1 GLU 18 13.353 -0.867 12.180
143 HG2 GLU 18 HG2 GLU 18 12.524 0.217 14.106
144 HG3 GLU 18 HG1 GLU 18 13.979 1.085 13.608
145 H ARG 19 HN ARG 19 15.087 -1.253 10.457
146 HA ARG 19 HA ARG 19 17.385 -0.618 11.989
147 HB2 ARG 19 HB2 ARG 19 16.680 -2.964 11.371
148 HB3 ARG 19 HB1 ARG 19 17.261 -2.642 9.741
149 HG2 ARG 19 HG2 ARG 19 18.932 -3.858 10.940
150 HG3 ARG 19 HG1 ARG 19 19.508 -2.209 10.685
151 HD2 ARG 19 HD2 ARG 19 18.757 -1.638 12.976
152 HD3 ARG 19 HD1 ARG 19 18.301 -3.324 13.215
153 HE ARG 19 HE ARG 19 21.064 -2.734 12.484
154 HH11 ARG 19 HH11 ARG 19 18.761 -3.642 14.968
155 HH12 ARG 19 HH12 ARG 19 19.963 -4.228 16.060
156 HH21 ARG 19 HH21 ARG 19 22.670 -3.498 13.939
157 HH22 ARG 19 HH22 ARG 19 22.202 -4.146 15.472
158 H HIS 20 HN HIS 20 16.568 -0.219 8.589
159 HA HIS 20 HA HIS 20 19.059 0.542 7.578
160 HB2 HIS 20 HB2 HIS 20 16.288 1.496 6.801
161 HB3 HIS 20 HB1 HIS 20 17.736 1.980 5.937
162 HD1 HIS 20 HD1 HIS 20 15.194 0.090 4.998
163 HD2 HIS 20 HD2 HIS 20 19.133 -1.017 5.749
164 HE1 HIS 20 HE1 HIS 20 15.550 -2.033 3.721
165 H GLU 21 HN GLU 21 16.638 2.450 9.265
166 HA GLU 21 HA GLU 21 17.959 4.954 9.058
167 HB2 GLU 21 HB2 GLU 21 15.913 3.949 11.048
168 HB3 GLU 21 HB1 GLU 21 16.477 5.607 10.968
169 HG2 GLU 21 HG2 GLU 21 15.258 4.250 8.598
170 HG3 GLU 21 HG1 GLU 21 14.281 5.052 9.824
171 H GLU 22 HN GLU 22 18.304 2.243 11.196
172 HA GLU 22 HA GLU 22 19.688 3.761 13.237
173 HB2 GLU 22 HB2 GLU 22 18.224 1.788 13.780
174 HB3 GLU 22 HB1 GLU 22 19.419 0.756 13.005
175 HG2 GLU 22 HG2 GLU 22 19.705 0.705 15.388
176 HG3 GLU 22 HG1 GLU 22 21.090 1.491 14.637
177 H ALA 23 HN ALA 23 20.472 1.790 10.439
178 HA ALA 23 HA ALA 23 23.217 1.427 11.247
179 HB1 ALA 23 HB1 ALA 23 22.062 -0.315 9.923
180 HB2 ALA 23 HB2 ALA 23 23.487 0.314 9.103
181 HB3 ALA 23 HB3 ALA 23 21.888 0.832 8.590
182 H GLU 24 HN GLU 24 21.276 3.601 9.458
183 HA GLU 24 HA GLU 24 23.381 4.848 7.981
184 HB2 GLU 24 HB2 GLU 24 21.040 5.106 7.254
185 HB3 GLU 24 HB1 GLU 24 20.648 5.945 8.748
186 HG2 GLU 24 HG2 GLU 24 20.879 7.536 6.987
187 HG3 GLU 24 HG1 GLU 24 22.216 7.733 8.117
188 H LEU 25 HN LEU 25 21.670 5.595 10.982
189 HA LEU 25 HA LEU 25 23.153 7.857 11.686
190 HB2 LEU 25 HB2 LEU 25 21.788 5.828 13.451
191 HB3 LEU 25 HB1 LEU 25 22.410 7.368 14.010
192 HG LEU 25 HG LEU 25 20.199 7.012 11.983
193 HD11 LEU 25 HD11 LEU 25 19.506 6.349 14.218
194 HD12 LEU 25 HD12 LEU 25 18.734 7.859 13.738
195 HD13 LEU 25 HD13 LEU 25 20.090 7.882 14.865
196 HD21 LEU 25 HD21 LEU 25 21.456 9.047 11.578
197 HD22 LEU 25 HD22 LEU 25 21.325 9.495 13.279
198 HD23 LEU 25 HD23 LEU 25 19.881 9.438 12.269
199 H GLU 26 HN GLU 26 23.764 4.472 12.187
200 HA GLU 26 HA GLU 26 26.046 4.601 13.814
201 HB2 GLU 26 HB2 GLU 26 25.388 2.654 11.608
202 HB3 GLU 26 HB1 GLU 26 26.821 2.492 12.605
203 HG2 GLU 26 HG2 GLU 26 25.223 2.499 14.591
204 HG3 GLU 26 HG1 GLU 26 23.945 2.250 13.402
205 H ARG 27 HN ARG 27 25.781 4.814 10.326
206 HA ARG 27 HA ARG 27 28.590 5.228 9.894
207 HB2 ARG 27 HB2 ARG 27 27.235 4.199 8.143
208 HB3 ARG 27 HB1 ARG 27 26.226 5.636 8.039
209 HG2 ARG 27 HG2 ARG 27 28.059 6.919 7.180
210 HG3 ARG 27 HG1 ARG 27 29.159 5.559 7.405
211 HD2 ARG 27 HD2 ARG 27 28.480 5.740 5.089
212 HD3 ARG 27 HD1 ARG 27 27.870 4.248 5.798
213 HE ARG 27 HE ARG 27 25.792 5.979 6.091
214 HH11 ARG 27 HH11 ARG 27 27.775 5.049 3.350
215 HH12 ARG 27 HH12 ARG 27 26.499 5.242 2.199
216 HH21 ARG 27 HH21 ARG 27 24.107 6.247 4.574
217 HH22 ARG 27 HH22 ARG 27 24.403 5.922 2.892
218 H LEU 28 HN LEU 28 25.779 7.257 10.221
219 HA LEU 28 HA LEU 28 26.889 9.692 9.327
220 HB2 LEU 28 HB2 LEU 28 24.457 9.359 9.699
221 HB3 LEU 28 HB1 LEU 28 24.743 9.308 11.429
222 HG LEU 28 HG LEU 28 25.551 11.647 11.327
223 HD11 LEU 28 HD11 LEU 28 25.093 12.969 9.320
224 HD12 LEU 28 HD12 LEU 28 24.617 11.501 8.465
225 HD13 LEU 28 HD13 LEU 28 26.282 11.704 9.012
226 HD21 LEU 28 HD21 LEU 28 22.778 11.165 10.241
227 HD22 LEU 28 HD22 LEU 28 23.337 12.653 11.006
228 HD23 LEU 28 HD23 LEU 28 23.248 11.161 11.942
229 H LYS 29 HN LYS 29 26.760 8.233 12.554
230 HA LYS 29 HA LYS 29 28.084 10.390 13.844
231 HB2 LYS 29 HB2 LYS 29 27.749 7.513 14.719
232 HB3 LYS 29 HB1 LYS 29 28.414 8.791 15.722
233 HG2 LYS 29 HG2 LYS 29 26.247 10.018 15.450
234 HG3 LYS 29 HG1 LYS 29 25.608 8.575 14.662
235 HD2 LYS 29 HD2 LYS 29 26.748 8.677 17.458
236 HD3 LYS 29 HD1 LYS 29 25.032 8.679 17.065
237 HE2 LYS 29 HE2 LYS 29 26.983 6.485 16.371
238 HE3 LYS 29 HE1 LYS 29 25.856 6.448 17.723
239 HZ1 LYS 29 HZ1 LYS 29 24.987 5.219 15.854
240 HZ2 LYS 29 HZ2 LYS 29 25.131 6.568 14.846
241 HZ3 LYS 29 HZ3 LYS 29 24.029 6.584 16.125
242 H SER 30 HN SER 30 29.203 7.873 11.838
243 HA SER 30 HA SER 30 31.855 7.760 12.968
244 HB2 SER 30 HB2 SER 30 30.867 5.766 11.830
245 HB3 SER 30 HB1 SER 30 30.823 6.670 10.317
246 HG SER 30 HG SER 30 32.891 6.362 10.067
247 H GLU 31 HN GLU 31 30.262 9.137 10.135
248 HA GLU 31 HA GLU 31 32.589 10.361 9.050
249 HB2 GLU 31 HB2 GLU 31 29.652 10.911 8.624
250 HB3 GLU 31 HB1 GLU 31 30.941 11.650 7.687
251 HG2 GLU 31 HG2 GLU 31 30.412 8.693 7.849
252 HG3 GLU 31 HG1 GLU 31 29.860 9.752 6.552
253 H ARG 32 HN ARG 32 29.790 11.636 10.803
254 HA ARG 32 HA ARG 32 30.684 14.306 10.917
255 HB2 ARG 32 HB2 ARG 32 28.663 12.867 12.633
256 HB3 ARG 32 HB1 ARG 32 28.908 14.605 12.627
257 HG2 ARG 32 HG2 ARG 32 28.011 12.952 10.268
258 HG3 ARG 32 HG1 ARG 32 26.971 13.951 11.286
259 HD2 ARG 32 HD2 ARG 32 27.369 15.631 9.873
260 HD3 ARG 32 HD1 ARG 32 29.020 15.655 10.481
261 HE ARG 32 HE ARG 32 28.761 13.707 8.446
262 HH11 ARG 32 HH11 ARG 32 28.914 17.196 8.906
263 HH12 ARG 32 HH12 ARG 32 29.533 17.493 7.315
264 HH21 ARG 32 HH21 ARG 32 29.610 14.109 6.352
265 HH22 ARG 32 HH22 ARG 32 29.930 15.734 5.855
266 H HIS 33 HN HIS 33 31.585 11.577 12.740
267 HA HIS 33 HA HIS 33 32.164 12.510 15.266
268 HB2 HIS 33 HB2 HIS 33 32.457 10.159 14.279
269 HB3 HIS 33 HB1 HIS 33 34.048 10.704 13.766
270 HD1 HIS 33 HD1 HIS 33 32.376 9.091 16.486
271 HD2 HIS 33 HD2 HIS 33 35.648 11.629 16.135
272 HE1 HIS 33 HE1 HIS 33 33.663 8.817 18.616
273 H ASP 34 HN ASP 34 34.001 13.053 12.307
274 HA ASP 34 HA ASP 34 36.150 14.401 13.783
275 HB2 ASP 34 HB2 ASP 34 36.626 12.898 11.797
276 HB3 ASP 34 HB1 ASP 34 35.890 14.131 10.779
277 H HIS 35 HN HIS 35 33.234 15.189 12.654
278 HA HIS 35 HA HIS 35 33.970 17.872 11.715
279 HB2 HIS 35 HB2 HIS 35 31.329 16.416 11.539
280 HB3 HIS 35 HB1 HIS 35 31.573 18.081 11.027
281 HD2 HIS 35 HD2 HIS 35 33.625 18.254 8.889
282 HE1 HIS 35 HE1 HIS 35 32.684 14.360 7.510
283 HE2 HIS 35 HE2 HIS 35 34.084 16.415 7.143
284 H ASP 36 HN ASP 36 32.984 16.286 14.493
285 HA ASP 36 HA ASP 36 31.254 18.234 15.624
286 HB2 ASP 36 HB2 ASP 36 31.401 17.029 17.671
287 HB3 ASP 36 HB1 ASP 36 31.473 15.818 16.404
288 H LYS 37 HN LYS 37 34.679 17.894 15.456
289 HA LYS 37 HA LYS 37 35.335 19.842 17.450
290 HB2 LYS 37 HB2 LYS 37 36.912 18.058 16.553
291 HB3 LYS 37 HB1 LYS 37 37.049 19.021 15.088
292 HG2 LYS 37 HG2 LYS 37 37.956 20.872 16.424
293 HG3 LYS 37 HG1 LYS 37 37.863 19.851 17.861
294 HD2 LYS 37 HD2 LYS 37 39.352 18.216 16.741
295 HD3 LYS 37 HD1 LYS 37 39.506 19.336 15.384
296 HE2 LYS 37 HE2 LYS 37 40.408 21.029 16.949
297 HE3 LYS 37 HE1 LYS 37 40.342 19.829 18.237
298 HZ1 LYS 37 HZ1 LYS 37 41.948 19.616 15.753
299 HZ2 LYS 37 HZ2 LYS 37 41.884 18.455 16.981
300 HZ3 LYS 37 HZ3 LYS 37 42.547 19.979 17.292
301 H LYS 38 HN LYS 38 34.130 20.015 14.306
302 HA LYS 38 HA LYS 38 35.075 22.753 13.887
303 HB2 LYS 38 HB2 LYS 38 33.666 20.850 12.003
304 HB3 LYS 38 HB1 LYS 38 34.194 22.475 11.592
305 HG2 LYS 38 HG2 LYS 38 36.496 21.864 11.916
306 HG3 LYS 38 HG1 LYS 38 36.030 20.257 12.473
307 HD2 LYS 38 HD2 LYS 38 35.078 19.775 10.276
308 HD3 LYS 38 HD1 LYS 38 35.514 21.394 9.726
309 HE2 LYS 38 HE2 LYS 38 37.470 19.299 10.675
310 HE3 LYS 38 HE1 LYS 38 37.108 19.647 8.987
311 HZ1 LYS 38 HZ1 LYS 38 38.296 21.545 10.939
312 HZ2 LYS 38 HZ2 LYS 38 37.915 21.902 9.330
313 HZ3 LYS 38 HZ3 LYS 38 39.114 20.767 9.678
314 H GLU 39 HN GLU 39 32.106 20.822 14.045
315 HA GLU 39 HA GLU 39 30.649 23.092 15.055
316 HB2 GLU 39 HB2 GLU 39 30.470 23.482 12.648
317 HB3 GLU 39 HB1 GLU 39 29.920 21.834 12.399
318 HG2 GLU 39 HG2 GLU 39 28.079 23.412 12.260
319 HG3 GLU 39 HG1 GLU 39 27.872 22.315 13.622
320 H ALA 40 HN ALA 40 28.621 22.500 15.934
321 HA ALA 40 HA ALA 40 28.546 19.809 16.970
322 HB1 ALA 40 HB1 ALA 40 27.926 21.724 18.370
323 HB2 ALA 40 HB2 ALA 40 26.623 20.551 18.244
324 HB3 ALA 40 HB3 ALA 40 26.541 22.047 17.322
325 H GLU 41 HN GLU 41 28.297 18.840 14.663
326 HA GLU 41 HA GLU 41 26.318 19.193 12.861
327 HB2 GLU 41 HB2 GLU 41 27.357 16.501 13.727
328 HB3 GLU 41 HB1 GLU 41 26.696 16.922 12.155
329 HG2 GLU 41 HG2 GLU 41 29.220 18.062 13.330
330 HG3 GLU 41 HG1 GLU 41 29.147 16.748 12.161
331 H ARG 42 HN ARG 42 25.973 17.358 15.900
332 HA ARG 42 HA ARG 42 23.211 17.448 15.805
333 HB2 ARG 42 HB2 ARG 42 23.734 15.549 14.194
334 HB3 ARG 42 HB1 ARG 42 24.498 14.716 15.540
335 HG2 ARG 42 HG2 ARG 42 22.376 14.723 16.748
336 HG3 ARG 42 HG1 ARG 42 21.611 15.545 15.389
337 HD2 ARG 42 HD2 ARG 42 22.276 13.589 13.961
338 HD3 ARG 42 HD1 ARG 42 22.789 12.772 15.439
339 HE ARG 42 HE ARG 42 20.041 13.770 15.192
340 HH11 ARG 42 HH11 ARG 42 22.233 11.040 15.532
341 HH12 ARG 42 HH12 ARG 42 20.977 9.919 15.908
342 HH21 ARG 42 HH21 ARG 42 18.378 12.272 15.680
343 HH22 ARG 42 HH22 ARG 42 18.775 10.618 15.984
344 H LYS 43 HN LYS 43 22.504 16.868 17.742
345 HA LYS 43 HA LYS 43 23.955 17.373 19.995
346 HB2 LYS 43 HB2 LYS 43 21.445 15.742 19.739
347 HB3 LYS 43 HB1 LYS 43 22.165 16.115 21.300
348 HG2 LYS 43 HG2 LYS 43 21.991 18.520 20.773
349 HG3 LYS 43 HG1 LYS 43 21.181 18.106 19.264
350 HD2 LYS 43 HD2 LYS 43 20.173 17.280 21.982
351 HD3 LYS 43 HD1 LYS 43 19.662 18.754 21.162
352 HE2 LYS 43 HE2 LYS 43 19.346 15.947 20.099
353 HE3 LYS 43 HE1 LYS 43 18.071 16.911 20.839
354 HZ1 LYS 43 HZ1 LYS 43 18.340 18.537 19.053
355 HZ2 LYS 43 HZ2 LYS 43 17.935 17.013 18.447
356 HZ3 LYS 43 HZ3 LYS 43 19.523 17.569 18.333
357 H ALA 44 HN ALA 44 23.475 14.153 18.605
358 HA ALA 44 HA ALA 44 24.735 12.619 20.575
359 HB1 ALA 44 HB1 ALA 44 24.888 12.154 17.585
360 HB2 ALA 44 HB2 ALA 44 23.598 11.590 18.652
361 HB3 ALA 44 HB3 ALA 44 25.232 10.965 18.836
362 H LEU 45 HN LEU 45 26.090 14.709 18.245
363 HA LEU 45 HA LEU 45 28.857 13.901 18.833
364 HB2 LEU 45 HB2 LEU 45 27.761 15.920 16.862
365 HB3 LEU 45 HB1 LEU 45 29.470 15.702 17.158
366 HG LEU 45 HG LEU 45 28.984 14.556 15.153
367 HD11 LEU 45 HD11 LEU 45 29.093 12.491 17.336
368 HD12 LEU 45 HD12 LEU 45 30.470 13.355 16.653
369 HD13 LEU 45 HD13 LEU 45 29.534 12.251 15.646
370 HD21 LEU 45 HD21 LEU 45 26.711 13.192 16.590
371 HD22 LEU 45 HD22 LEU 45 27.244 12.835 14.948
372 HD23 LEU 45 HD23 LEU 45 26.571 14.419 15.332
373 H GLU 46 HN GLU 46 26.678 16.596 19.128
374 HA GLU 46 HA GLU 46 28.387 18.502 20.292
375 HB2 GLU 46 HB2 GLU 46 26.073 18.949 19.387
376 HB3 GLU 46 HB1 GLU 46 25.430 18.199 20.843
377 HG2 GLU 46 HG2 GLU 46 26.594 19.927 22.174
378 HG3 GLU 46 HG1 GLU 46 27.055 20.714 20.665
379 H ASP 47 HN ASP 47 26.637 15.838 21.657
380 HA ASP 47 HA ASP 47 26.786 16.559 24.404
381 HB2 ASP 47 HB2 ASP 47 25.257 14.792 23.717
382 HB3 ASP 47 HB1 ASP 47 26.596 13.803 23.141
383 H LYS 48 HN LYS 48 28.804 14.471 22.451
384 HA LYS 48 HA LYS 48 30.820 13.867 24.219
385 HB2 LYS 48 HB2 LYS 48 31.112 14.532 21.289
386 HB3 LYS 48 HB1 LYS 48 32.384 13.806 22.262
387 HG2 LYS 48 HG2 LYS 48 29.672 12.599 21.748
388 HG3 LYS 48 HG1 LYS 48 31.172 12.138 20.943
389 HD2 LYS 48 HD2 LYS 48 32.121 11.496 23.129
390 HD3 LYS 48 HD1 LYS 48 30.592 11.917 23.901
391 HE2 LYS 48 HE2 LYS 48 30.714 9.529 23.558
392 HE3 LYS 48 HE1 LYS 48 29.458 10.222 22.535
393 HZ1 LYS 48 HZ1 LYS 48 30.807 8.589 21.366
394 HZ2 LYS 48 HZ2 LYS 48 32.195 9.515 21.637
395 HZ3 LYS 48 HZ3 LYS 48 30.953 10.121 20.664
396 H LEU 49 HN LEU 49 30.582 16.838 22.289
397 HA LEU 49 HA LEU 49 32.858 18.106 23.362
398 HB2 LEU 49 HB2 LEU 49 30.323 19.422 22.386
399 HB3 LEU 49 HB1 LEU 49 31.915 20.146 22.474
400 HG LEU 49 HG LEU 49 31.173 17.865 20.645
401 HD11 LEU 49 HD11 LEU 49 31.263 19.536 18.859
402 HD12 LEU 49 HD12 LEU 49 31.490 20.802 20.067
403 HD13 LEU 49 HD13 LEU 49 29.986 19.886 20.024
404 HD21 LEU 49 HD21 LEU 49 33.536 17.897 21.242
405 HD22 LEU 49 HD22 LEU 49 33.638 19.597 20.789
406 HD23 LEU 49 HD23 LEU 49 33.310 18.376 19.560
407 H ALA 50 HN ALA 50 29.460 18.471 24.095
408 HA ALA 50 HA ALA 50 29.713 20.081 26.402
409 HB1 ALA 50 HB1 ALA 50 27.442 18.227 25.695
410 HB2 ALA 50 HB2 ALA 50 27.618 19.899 25.159
411 HB3 ALA 50 HB3 ALA 50 27.379 19.539 26.869
412 H ASP 51 HN ASP 51 31.458 18.980 27.437
413 HA ASP 51 HA ASP 51 31.179 16.426 28.647
414 HB2 ASP 51 HB2 ASP 51 33.383 17.493 28.250
415 HB3 ASP 51 HB1 ASP 51 33.020 18.665 29.512
416 H TYR 52 HN TYR 52 29.496 16.122 29.881
417 HA TYR 52 HA TYR 52 29.367 17.596 32.410
418 HB2 TYR 52 HB2 TYR 52 26.981 17.117 30.612
419 HB3 TYR 52 HB1 TYR 52 26.862 17.636 32.287
420 HD1 TYR 52 HD1 TYR 52 27.035 18.704 28.938
421 HD2 TYR 52 HD2 TYR 52 28.177 19.841 32.871
422 HE1 TYR 52 HE1 TYR 52 27.217 21.040 28.203
423 HE2 TYR 52 HE2 TYR 52 28.364 22.183 32.142
424 HH TYR 52 HH TYR 52 28.740 23.428 30.023
Start of MODEL 2
1 H1 GLY 1 HT1 GLY 1 -2.801 -7.466 18.132
2 H2 GLY 1 HT2 GLY 1 -1.579 -6.366 18.529
3 H3 GLY 1 HT3 GLY 1 -1.309 -7.537 17.336
4 HA2 GLY 1 HA1 GLY 1 -3.232 -5.282 17.184
5 HA3 GLY 1 HA2 GLY 1 -1.708 -5.403 16.315
6 H SER 2 HN SER 2 -4.610 -5.253 15.447
7 HA SER 2 HA SER 2 -5.384 -7.725 14.375
8 HB2 SER 2 HB2 SER 2 -6.064 -4.950 13.386
9 HB3 SER 2 HB1 SER 2 -6.938 -6.431 12.996
10 HG SER 2 HG SER 2 -7.893 -6.364 14.869
11 H VAL 3 HN VAL 3 -3.866 -4.936 12.712
12 HA VAL 3 HA VAL 3 -3.506 -6.278 10.256
13 HB VAL 3 HB VAL 3 -1.773 -4.018 11.271
14 HG11 VAL 3 HG11 VAL 3 -2.608 -4.833 8.489
15 HG12 VAL 3 HG12 VAL 3 -1.011 -5.054 9.206
16 HG13 VAL 3 HG13 VAL 3 -1.621 -3.429 8.894
17 HG21 VAL 3 HG21 VAL 3 -4.100 -3.404 11.620
18 HG22 VAL 3 HG22 VAL 3 -4.486 -3.848 9.957
19 HG23 VAL 3 HG23 VAL 3 -3.419 -2.481 10.281
20 H GLU 4 HN GLU 4 -1.623 -6.029 13.110
21 HA GLU 4 HA GLU 4 0.859 -7.073 12.306
22 HB2 GLU 4 HB2 GLU 4 0.663 -6.185 14.526
23 HB3 GLU 4 HB1 GLU 4 -0.626 -7.302 14.939
24 HG2 GLU 4 HG2 GLU 4 1.087 -9.143 14.658
25 HG3 GLU 4 HG1 GLU 4 2.298 -7.860 14.624
26 H LYS 5 HN LYS 5 -2.020 -8.733 13.445
27 HA LYS 5 HA LYS 5 -0.955 -11.371 13.056
28 HB2 LYS 5 HB2 LYS 5 -2.623 -10.848 14.785
29 HB3 LYS 5 HB1 LYS 5 -3.780 -10.441 13.531
30 HG2 LYS 5 HG2 LYS 5 -3.589 -12.803 12.715
31 HG3 LYS 5 HG1 LYS 5 -2.629 -13.149 14.157
32 HD2 LYS 5 HD2 LYS 5 -4.941 -13.756 14.553
33 HD3 LYS 5 HD1 LYS 5 -4.511 -12.369 15.557
34 HE2 LYS 5 HE2 LYS 5 -5.564 -10.871 13.921
35 HE3 LYS 5 HE1 LYS 5 -5.998 -12.262 12.932
36 HZ1 LYS 5 HZ1 LYS 5 -7.337 -13.065 14.797
37 HZ2 LYS 5 HZ2 LYS 5 -7.854 -11.567 14.229
38 HZ3 LYS 5 HZ3 LYS 5 -6.971 -11.660 15.664
39 H LEU 6 HN LEU 6 -2.891 -9.155 11.207
40 HA LEU 6 HA LEU 6 -3.803 -11.145 9.329
41 HB2 LEU 6 HB2 LEU 6 -3.991 -8.136 9.210
42 HB3 LEU 6 HB1 LEU 6 -4.742 -9.232 8.073
43 HG LEU 6 HG LEU 6 -5.395 -9.039 11.015
44 HD11 LEU 6 HD11 LEU 6 -7.531 -8.133 10.249
45 HD12 LEU 6 HD12 LEU 6 -6.952 -8.175 8.585
46 HD13 LEU 6 HD13 LEU 6 -6.177 -7.112 9.760
47 HD21 LEU 6 HD21 LEU 6 -5.690 -11.311 10.207
48 HD22 LEU 6 HD22 LEU 6 -6.625 -10.723 8.832
49 HD23 LEU 6 HD23 LEU 6 -7.259 -10.551 10.468
50 H THR 7 HN THR 7 -1.137 -8.869 9.469
51 HA THR 7 HA THR 7 -0.087 -10.024 7.062
52 HB THR 7 HB THR 7 -0.387 -7.036 7.386
53 HG1 THR 7 HG1 THR 7 -1.989 -8.986 6.298
54 HG21 THR 7 HG21 THR 7 0.501 -6.941 5.117
55 HG22 THR 7 HG22 THR 7 0.616 -8.698 5.064
56 HG23 THR 7 HG23 THR 7 1.644 -7.781 6.163
57 H ALA 8 HN ALA 8 1.668 -10.846 8.406
58 HA ALA 8 HA ALA 8 3.141 -9.130 10.152
59 HB1 ALA 8 HB1 ALA 8 3.065 -11.577 10.509
60 HB2 ALA 8 HB2 ALA 8 4.711 -10.970 10.381
61 HB3 ALA 8 HB3 ALA 8 3.983 -11.810 9.017
62 H ASP 9 HN ASP 9 3.099 -9.696 6.851
63 HA ASP 9 HA ASP 9 5.760 -9.258 6.055
64 HB2 ASP 9 HB2 ASP 9 3.959 -9.992 4.475
65 HB3 ASP 9 HB1 ASP 9 3.257 -8.380 4.554
66 H ALA 10 HN ALA 10 3.089 -7.025 6.611
67 HA ALA 10 HA ALA 10 4.461 -4.649 5.997
68 HB1 ALA 10 HB1 ALA 10 2.691 -3.477 7.188
69 HB2 ALA 10 HB2 ALA 10 2.154 -4.979 7.929
70 HB3 ALA 10 HB3 ALA 10 2.009 -4.750 6.182
71 H GLU 11 HN GLU 11 4.373 -6.533 8.931
72 HA GLU 11 HA GLU 11 5.539 -4.455 10.543
73 HB2 GLU 11 HB2 GLU 11 5.208 -7.410 11.123
74 HB3 GLU 11 HB1 GLU 11 5.691 -6.186 12.288
75 HG2 GLU 11 HG2 GLU 11 3.018 -6.395 10.904
76 HG3 GLU 11 HG1 GLU 11 3.372 -6.696 12.599
77 H LEU 12 HN LEU 12 6.596 -7.317 8.881
78 HA LEU 12 HA LEU 12 9.300 -7.324 9.697
79 HB2 LEU 12 HB2 LEU 12 7.904 -8.386 7.243
80 HB3 LEU 12 HB1 LEU 12 9.643 -8.395 7.338
81 HG LEU 12 HG LEU 12 9.708 -10.040 8.974
82 HD11 LEU 12 HD11 LEU 12 7.822 -10.695 10.389
83 HD12 LEU 12 HD12 LEU 12 6.824 -9.451 9.632
84 HD13 LEU 12 HD13 LEU 12 8.223 -8.989 10.601
85 HD21 LEU 12 HD21 LEU 12 8.867 -10.940 6.888
86 HD22 LEU 12 HD22 LEU 12 7.211 -10.589 7.389
87 HD23 LEU 12 HD23 LEU 12 8.161 -11.800 8.259
88 H GLN 13 HN GLN 13 7.623 -5.647 7.098
89 HA GLN 13 HA GLN 13 9.828 -4.474 5.837
90 HB2 GLN 13 HB2 GLN 13 7.005 -3.444 6.155
91 HB3 GLN 13 HB1 GLN 13 8.216 -2.673 5.148
92 HG2 GLN 13 HG2 GLN 13 7.177 -5.474 4.804
93 HG3 GLN 13 HG1 GLN 13 6.707 -4.071 3.848
94 HE21 GLN 13 HE21 GLN 13 8.224 -3.153 2.434
95 HE22 GLN 13 HE22 GLN 13 9.588 -4.052 1.867
96 H ARG 14 HN ARG 14 7.970 -3.447 8.656
97 HA ARG 14 HA ARG 14 9.128 -0.913 8.994
98 HB2 ARG 14 HB2 ARG 14 8.160 -2.773 11.180
99 HB3 ARG 14 HB1 ARG 14 8.390 -1.040 11.319
100 HG2 ARG 14 HG2 ARG 14 6.626 -0.732 9.601
101 HG3 ARG 14 HG1 ARG 14 6.345 -2.473 9.652
102 HD2 ARG 14 HD2 ARG 14 5.959 -2.242 12.120
103 HD3 ARG 14 HD1 ARG 14 6.010 -0.493 11.896
104 HE ARG 14 HE ARG 14 3.914 -2.332 11.048
105 HH11 ARG 14 HH11 ARG 14 5.198 0.953 10.945
106 HH12 ARG 14 HH12 ARG 14 3.687 1.658 10.496
107 HH21 ARG 14 HH21 ARG 14 1.933 -1.379 10.453
108 HH22 ARG 14 HH22 ARG 14 1.826 0.328 10.193
109 H LEU 15 HN LEU 15 10.042 -4.082 10.259
110 HA LEU 15 HA LEU 15 12.230 -3.234 11.802
111 HB2 LEU 15 HB2 LEU 15 11.245 -5.416 12.118
112 HB3 LEU 15 HB1 LEU 15 11.663 -5.894 10.487
113 HG LEU 15 HG LEU 15 14.064 -5.764 11.101
114 HD11 LEU 15 HD11 LEU 15 14.674 -5.671 13.465
115 HD12 LEU 15 HD12 LEU 15 12.994 -5.334 13.886
116 HD13 LEU 15 HD13 LEU 15 13.915 -4.174 12.928
117 HD21 LEU 15 HD21 LEU 15 12.874 -7.883 11.140
118 HD22 LEU 15 HD22 LEU 15 12.363 -7.581 12.800
119 HD23 LEU 15 HD23 LEU 15 14.071 -7.814 12.432
120 H LYS 16 HN LYS 16 12.104 -4.523 8.503
121 HA LYS 16 HA LYS 16 14.844 -4.449 7.944
122 HB2 LYS 16 HB2 LYS 16 12.491 -4.132 6.074
123 HB3 LYS 16 HB1 LYS 16 14.144 -4.419 5.561
124 HG2 LYS 16 HG2 LYS 16 14.165 -6.593 6.418
125 HG3 LYS 16 HG1 LYS 16 12.746 -6.302 7.426
126 HD2 LYS 16 HD2 LYS 16 12.201 -7.687 5.479
127 HD3 LYS 16 HD1 LYS 16 11.349 -6.145 5.434
128 HE2 LYS 16 HE2 LYS 16 13.099 -5.290 3.896
129 HE3 LYS 16 HE1 LYS 16 13.819 -6.900 3.879
130 HZ1 LYS 16 HZ1 LYS 16 12.334 -6.457 1.982
131 HZ2 LYS 16 HZ2 LYS 16 11.033 -6.302 3.048
132 HZ3 LYS 16 HZ3 LYS 16 11.841 -7.786 2.906
133 H ASN 17 HN ASN 17 12.370 -1.991 7.548
134 HA ASN 17 HA ASN 17 14.114 -0.126 6.224
135 HB2 ASN 17 HB2 ASN 17 11.675 -0.046 5.846
136 HB3 ASN 17 HB1 ASN 17 11.423 0.376 7.539
137 HD21 ASN 17 HD21 ASN 17 12.451 1.484 4.433
138 HD22 ASN 17 HD22 ASN 17 12.522 3.166 4.835
139 H GLU 18 HN GLU 18 12.725 -0.318 9.485
140 HA GLU 18 HA GLU 18 13.894 2.014 10.486
141 HB2 GLU 18 HB2 GLU 18 12.012 0.796 11.534
142 HB3 GLU 18 HB1 GLU 18 13.134 -0.460 12.032
143 HG2 GLU 18 HG2 GLU 18 14.350 1.179 13.385
144 HG3 GLU 18 HG1 GLU 18 13.192 2.418 12.902
145 H ARG 19 HN ARG 19 15.087 -1.354 10.550
146 HA ARG 19 HA ARG 19 17.322 -0.792 12.163
147 HB2 ARG 19 HB2 ARG 19 18.236 -2.915 11.499
148 HB3 ARG 19 HB1 ARG 19 16.504 -3.100 11.706
149 HG2 ARG 19 HG2 ARG 19 16.215 -2.997 9.272
150 HG3 ARG 19 HG1 ARG 19 17.964 -2.840 9.087
151 HD2 ARG 19 HD2 ARG 19 18.278 -5.010 10.160
152 HD3 ARG 19 HD1 ARG 19 16.536 -5.163 10.371
153 HE ARG 19 HE ARG 19 17.262 -4.753 7.638
154 HH11 ARG 19 HH11 ARG 19 17.078 -7.192 10.159
155 HH12 ARG 19 HH12 ARG 19 16.872 -8.506 9.054
156 HH21 ARG 19 HH21 ARG 19 16.977 -6.514 6.164
157 HH22 ARG 19 HH22 ARG 19 16.808 -8.119 6.788
158 H HIS 20 HN HIS 20 16.810 -0.452 8.702
159 HA HIS 20 HA HIS 20 19.561 0.074 8.101
160 HB2 HIS 20 HB2 HIS 20 17.874 -0.595 6.347
161 HB3 HIS 20 HB1 HIS 20 17.147 1.002 6.506
162 HD1 HIS 20 HD1 HIS 20 18.157 2.846 5.109
163 HD2 HIS 20 HD2 HIS 20 20.599 -0.515 5.325
164 HE1 HIS 20 HE1 HIS 20 20.019 3.265 3.490
165 H GLU 21 HN GLU 21 16.835 1.981 9.107
166 HA GLU 21 HA GLU 21 17.993 4.549 8.655
167 HB2 GLU 21 HB2 GLU 21 15.572 4.334 8.909
168 HB3 GLU 21 HB1 GLU 21 15.771 3.720 10.548
169 HG2 GLU 21 HG2 GLU 21 16.777 5.882 11.184
170 HG3 GLU 21 HG1 GLU 21 16.431 6.475 9.563
171 H GLU 22 HN GLU 22 17.837 2.398 11.441
172 HA GLU 22 HA GLU 22 19.118 4.230 13.223
173 HB2 GLU 22 HB2 GLU 22 18.725 1.231 13.453
174 HB3 GLU 22 HB1 GLU 22 19.309 2.272 14.742
175 HG2 GLU 22 HG2 GLU 22 17.195 3.480 14.754
176 HG3 GLU 22 HG1 GLU 22 16.587 2.477 13.444
177 H ALA 23 HN ALA 23 20.161 1.835 10.957
178 HA ALA 23 HA ALA 23 22.888 1.774 11.915
179 HB1 ALA 23 HB1 ALA 23 23.326 0.319 10.018
180 HB2 ALA 23 HB2 ALA 23 21.740 0.663 9.341
181 HB3 ALA 23 HB3 ALA 23 21.880 -0.228 10.859
182 H GLU 24 HN GLU 24 20.980 3.723 10.026
183 HA GLU 24 HA GLU 24 23.009 4.669 8.191
184 HB2 GLU 24 HB2 GLU 24 20.590 4.720 7.582
185 HB3 GLU 24 HB1 GLU 24 20.317 5.915 8.841
186 HG2 GLU 24 HG2 GLU 24 21.695 7.507 7.690
187 HG3 GLU 24 HG1 GLU 24 22.132 6.302 6.479
188 H LEU 25 HN LEU 25 21.385 5.890 11.089
189 HA LEU 25 HA LEU 25 22.874 8.232 11.415
190 HB2 LEU 25 HB2 LEU 25 20.838 7.686 12.699
191 HB3 LEU 25 HB1 LEU 25 21.717 6.435 13.553
192 HG LEU 25 HG LEU 25 23.182 8.165 14.541
193 HD11 LEU 25 HD11 LEU 25 23.022 9.851 12.804
194 HD12 LEU 25 HD12 LEU 25 22.543 10.521 14.362
195 HD13 LEU 25 HD13 LEU 25 21.315 10.093 13.170
196 HD21 LEU 25 HD21 LEU 25 21.226 7.384 15.763
197 HD22 LEU 25 HD22 LEU 25 20.226 8.598 14.965
198 HD23 LEU 25 HD23 LEU 25 21.507 9.098 16.069
199 H GLU 26 HN GLU 26 23.489 4.965 12.373
200 HA GLU 26 HA GLU 26 25.857 5.349 13.866
201 HB2 GLU 26 HB2 GLU 26 24.985 2.973 12.227
202 HB3 GLU 26 HB1 GLU 26 26.458 2.975 13.186
203 HG2 GLU 26 HG2 GLU 26 23.631 3.228 14.167
204 HG3 GLU 26 HG1 GLU 26 24.773 1.919 14.470
205 H ARG 27 HN ARG 27 25.355 5.023 10.425
206 HA ARG 27 HA ARG 27 28.117 5.075 9.697
207 HB2 ARG 27 HB2 ARG 27 25.614 5.659 8.101
208 HB3 ARG 27 HB1 ARG 27 27.228 5.652 7.420
209 HG2 ARG 27 HG2 ARG 27 27.492 3.350 7.773
210 HG3 ARG 27 HG1 ARG 27 26.083 3.274 8.835
211 HD2 ARG 27 HD2 ARG 27 24.588 3.577 7.053
212 HD3 ARG 27 HD1 ARG 27 25.861 4.139 5.973
213 HE ARG 27 HE ARG 27 26.310 1.977 5.433
214 HH11 ARG 27 HH11 ARG 27 24.545 1.916 8.480
215 HH12 ARG 27 HH12 ARG 27 24.292 0.204 8.414
216 HH21 ARG 27 HH21 ARG 27 25.931 -0.244 5.362
217 HH22 ARG 27 HH22 ARG 27 25.053 -1.017 6.637
218 H LEU 28 HN LEU 28 25.672 7.468 10.283
219 HA LEU 28 HA LEU 28 27.073 9.680 9.150
220 HB2 LEU 28 HB2 LEU 28 24.643 9.768 9.541
221 HB3 LEU 28 HB1 LEU 28 24.910 9.670 11.272
222 HG LEU 28 HG LEU 28 26.093 11.855 11.164
223 HD11 LEU 28 HD11 LEU 28 25.093 11.870 8.321
224 HD12 LEU 28 HD12 LEU 28 26.778 11.820 8.837
225 HD13 LEU 28 HD13 LEU 28 25.797 13.246 9.171
226 HD21 LEU 28 HD21 LEU 28 23.759 11.728 11.828
227 HD22 LEU 28 HD22 LEU 28 23.257 11.814 10.140
228 HD23 LEU 28 HD23 LEU 28 24.057 13.193 10.893
229 H LYS 29 HN LYS 29 26.928 8.246 12.358
230 HA LYS 29 HA LYS 29 28.350 10.229 13.748
231 HB2 LYS 29 HB2 LYS 29 28.139 7.257 14.280
232 HB3 LYS 29 HB1 LYS 29 28.865 8.410 15.387
233 HG2 LYS 29 HG2 LYS 29 26.731 9.588 15.568
234 HG3 LYS 29 HG1 LYS 29 26.000 8.423 14.463
235 HD2 LYS 29 HD2 LYS 29 26.380 6.630 16.023
236 HD3 LYS 29 HD1 LYS 29 27.288 7.698 17.092
237 HE2 LYS 29 HE2 LYS 29 24.370 8.007 16.387
238 HE3 LYS 29 HE1 LYS 29 24.986 7.300 17.880
239 HZ1 LYS 29 HZ1 LYS 29 25.999 9.401 18.438
240 HZ2 LYS 29 HZ2 LYS 29 24.353 9.632 18.146
241 HZ3 LYS 29 HZ3 LYS 29 25.487 10.089 16.986
242 H SER 30 HN SER 30 29.571 7.111 12.463
243 HA SER 30 HA SER 30 32.248 7.586 12.981
244 HB2 SER 30 HB2 SER 30 32.578 5.890 11.074
245 HB3 SER 30 HB1 SER 30 31.629 5.378 12.470
246 HG SER 30 HG SER 30 30.046 5.043 11.152
247 H GLU 31 HN GLU 31 30.338 8.343 10.104
248 HA GLU 31 HA GLU 31 32.424 9.273 8.490
249 HB2 GLU 31 HB2 GLU 31 30.172 8.822 7.639
250 HB3 GLU 31 HB1 GLU 31 29.550 10.193 8.548
251 HG2 GLU 31 HG2 GLU 31 31.108 11.647 7.228
252 HG3 GLU 31 HG1 GLU 31 31.451 10.242 6.221
253 H ARG 32 HN ARG 32 30.137 11.167 10.454
254 HA ARG 32 HA ARG 32 31.149 13.673 10.005
255 HB2 ARG 32 HB2 ARG 32 29.059 13.317 11.143
256 HB3 ARG 32 HB1 ARG 32 29.878 12.575 12.506
257 HG2 ARG 32 HG2 ARG 32 30.744 14.624 13.240
258 HG3 ARG 32 HG1 ARG 32 30.400 15.417 11.704
259 HD2 ARG 32 HD2 ARG 32 28.312 14.353 13.601
260 HD3 ARG 32 HD1 ARG 32 28.815 16.040 13.500
261 HE ARG 32 HE ARG 32 28.109 15.619 10.989
262 HH11 ARG 32 HH11 ARG 32 26.443 14.654 13.926
263 HH12 ARG 32 HH12 ARG 32 24.872 14.742 13.219
264 HH21 ARG 32 HH21 ARG 32 26.030 15.725 10.041
265 HH22 ARG 32 HH22 ARG 32 24.632 15.346 10.984
266 H HIS 33 HN HIS 33 32.423 11.266 12.223
267 HA HIS 33 HA HIS 33 34.231 13.156 13.445
268 HB2 HIS 33 HB2 HIS 33 33.350 11.315 14.782
269 HB3 HIS 33 HB1 HIS 33 34.090 10.146 13.695
270 HD1 HIS 33 HD1 HIS 33 36.295 9.297 14.443
271 HD2 HIS 33 HD2 HIS 33 35.459 13.029 16.065
272 HE1 HIS 33 HE1 HIS 33 38.211 9.803 15.979
273 H ASP 34 HN ASP 34 34.599 10.363 11.261
274 HA ASP 34 HA ASP 34 37.448 10.834 11.032
275 HB2 ASP 34 HB2 ASP 34 36.544 8.529 10.994
276 HB3 ASP 34 HB1 ASP 34 35.719 8.886 9.481
277 H HIS 35 HN HIS 35 34.742 12.080 9.509
278 HA HIS 35 HA HIS 35 35.509 12.421 6.833
279 HB2 HIS 35 HB2 HIS 35 33.238 12.984 7.791
280 HB3 HIS 35 HB1 HIS 35 33.945 14.448 8.464
281 HD2 HIS 35 HD2 HIS 35 34.302 16.529 6.623
282 HE1 HIS 35 HE1 HIS 35 32.477 14.520 3.367
283 HE2 HIS 35 HE2 HIS 35 33.514 16.662 4.163
284 H ASP 36 HN ASP 36 36.735 13.918 9.658
285 HA ASP 36 HA ASP 36 37.842 16.249 8.466
286 HB2 ASP 36 HB2 ASP 36 38.556 14.807 11.032
287 HB3 ASP 36 HB1 ASP 36 39.310 16.307 10.518
288 H LYS 37 HN LYS 37 38.676 12.989 8.255
289 HA LYS 37 HA LYS 37 41.321 13.705 7.201
290 HB2 LYS 37 HB2 LYS 37 41.557 12.535 9.362
291 HB3 LYS 37 HB1 LYS 37 40.621 11.188 8.739
292 HG2 LYS 37 HG2 LYS 37 42.361 10.783 7.050
293 HG3 LYS 37 HG1 LYS 37 43.302 12.111 7.730
294 HD2 LYS 37 HD2 LYS 37 43.382 10.931 9.885
295 HD3 LYS 37 HD1 LYS 37 42.480 9.592 9.173
296 HE2 LYS 37 HE2 LYS 37 44.834 9.051 9.200
297 HE3 LYS 37 HE1 LYS 37 44.301 9.278 7.537
298 HZ1 LYS 37 HZ1 LYS 37 45.743 11.290 9.173
299 HZ2 LYS 37 HZ2 LYS 37 45.259 11.497 7.569
300 HZ3 LYS 37 HZ3 LYS 37 46.429 10.347 7.952
301 H LYS 38 HN LYS 38 38.720 11.294 7.183
302 HA LYS 38 HA LYS 38 39.112 11.022 4.296
303 HB2 LYS 38 HB2 LYS 38 38.686 8.768 6.265
304 HB3 LYS 38 HB1 LYS 38 38.566 8.592 4.519
305 HG2 LYS 38 HG2 LYS 38 40.914 9.292 4.317
306 HG3 LYS 38 HG1 LYS 38 41.016 9.385 6.072
307 HD2 LYS 38 HD2 LYS 38 40.568 7.018 6.260
308 HD3 LYS 38 HD1 LYS 38 40.319 6.901 4.517
309 HE2 LYS 38 HE2 LYS 38 42.893 7.732 5.847
310 HE3 LYS 38 HE1 LYS 38 42.553 6.119 5.222
311 HZ1 LYS 38 HZ1 LYS 38 43.825 7.478 3.655
312 HZ2 LYS 38 HZ2 LYS 38 42.567 8.602 3.584
313 HZ3 LYS 38 HZ3 LYS 38 42.326 7.025 3.018
314 H GLU 39 HN GLU 39 37.373 11.774 3.427
315 HA GLU 39 HA GLU 39 34.946 12.236 4.680
316 HB2 GLU 39 HB2 GLU 39 33.986 12.683 2.479
317 HB3 GLU 39 HB1 GLU 39 35.578 13.402 2.628
318 HG2 GLU 39 HG2 GLU 39 36.533 11.630 1.253
319 HG3 GLU 39 HG1 GLU 39 34.965 10.827 1.185
320 H ALA 40 HN ALA 40 35.726 9.490 2.504
321 HA ALA 40 HA ALA 40 33.622 7.949 3.812
322 HB1 ALA 40 HB1 ALA 40 32.462 9.136 2.011
323 HB2 ALA 40 HB2 ALA 40 32.480 7.393 1.744
324 HB3 ALA 40 HB3 ALA 40 33.577 8.435 0.838
325 H GLU 41 HN GLU 41 36.567 7.714 3.587
326 HA GLU 41 HA GLU 41 36.702 5.210 2.117
327 HB2 GLU 41 HB2 GLU 41 38.310 6.897 1.284
328 HB3 GLU 41 HB1 GLU 41 39.032 6.982 2.887
329 HG2 GLU 41 HG2 GLU 41 39.609 4.591 2.729
330 HG3 GLU 41 HG1 GLU 41 38.943 4.557 1.100
331 H ARG 42 HN ARG 42 35.666 4.341 3.915
332 HA ARG 42 HA ARG 42 37.552 3.482 5.891
333 HB2 ARG 42 HB2 ARG 42 34.723 4.412 6.319
334 HB3 ARG 42 HB1 ARG 42 35.478 3.261 7.416
335 HG2 ARG 42 HG2 ARG 42 37.179 4.837 8.004
336 HG3 ARG 42 HG1 ARG 42 36.626 5.965 6.766
337 HD2 ARG 42 HD2 ARG 42 35.039 5.079 9.174
338 HD3 ARG 42 HD1 ARG 42 35.880 6.620 9.009
339 HE ARG 42 HE ARG 42 33.354 5.885 7.875
340 HH11 ARG 42 HH11 ARG 42 36.158 7.972 7.558
341 HH12 ARG 42 HH12 ARG 42 35.339 9.169 6.617
342 HH21 ARG 42 HH21 ARG 42 32.242 7.496 6.600
343 HH22 ARG 42 HH22 ARG 42 33.104 8.896 6.060
344 H LYS 43 HN LYS 43 37.728 1.589 5.836
345 HA LYS 43 HA LYS 43 36.483 -0.192 4.026
346 HB2 LYS 43 HB2 LYS 43 38.251 -0.934 6.346
347 HB3 LYS 43 HB1 LYS 43 37.983 -1.852 4.871
348 HG2 LYS 43 HG2 LYS 43 39.227 -0.347 3.574
349 HG3 LYS 43 HG1 LYS 43 39.189 0.894 4.829
350 HD2 LYS 43 HD2 LYS 43 40.543 -0.614 6.269
351 HD3 LYS 43 HD1 LYS 43 40.675 -1.727 4.907
352 HE2 LYS 43 HE2 LYS 43 41.801 -0.029 3.593
353 HE3 LYS 43 HE1 LYS 43 41.593 1.145 4.892
354 HZ1 LYS 43 HZ1 LYS 43 43.186 -1.352 5.053
355 HZ2 LYS 43 HZ2 LYS 43 42.982 -0.234 6.307
356 HZ3 LYS 43 HZ3 LYS 43 43.812 0.213 4.906
357 H ALA 44 HN ALA 44 35.618 0.796 7.119
358 HA ALA 44 HA ALA 44 34.532 -1.612 8.166
359 HB1 ALA 44 HB1 ALA 44 33.700 1.223 8.825
360 HB2 ALA 44 HB2 ALA 44 35.017 0.338 9.603
361 HB3 ALA 44 HB3 ALA 44 33.359 -0.221 9.775
362 H LEU 45 HN LEU 45 33.148 1.012 6.220
363 HA LEU 45 HA LEU 45 30.568 -0.322 6.155
364 HB2 LEU 45 HB2 LEU 45 31.488 2.226 4.822
365 HB3 LEU 45 HB1 LEU 45 29.842 1.632 4.867
366 HG LEU 45 HG LEU 45 31.456 2.536 7.248
367 HD11 LEU 45 HD11 LEU 45 30.766 4.379 5.821
368 HD12 LEU 45 HD12 LEU 45 29.858 4.383 7.333
369 HD13 LEU 45 HD13 LEU 45 29.101 3.796 5.852
370 HD21 LEU 45 HD21 LEU 45 29.943 0.747 7.874
371 HD22 LEU 45 HD22 LEU 45 28.608 1.562 7.059
372 HD23 LEU 45 HD23 LEU 45 29.346 2.289 8.487
373 H GLU 46 HN GLU 46 33.423 -0.070 4.273
374 HA GLU 46 HA GLU 46 32.208 -0.784 1.764
375 HB2 GLU 46 HB2 GLU 46 34.306 0.513 1.827
376 HB3 GLU 46 HB1 GLU 46 35.122 -0.842 2.597
377 HG2 GLU 46 HG2 GLU 46 34.663 -2.199 0.590
378 HG3 GLU 46 HG1 GLU 46 33.982 -0.766 -0.179
379 H ASP 47 HN ASP 47 33.836 -2.460 4.375
380 HA ASP 47 HA ASP 47 33.854 -4.985 2.949
381 HB2 ASP 47 HB2 ASP 47 35.713 -4.501 4.468
382 HB3 ASP 47 HB1 ASP 47 34.594 -4.342 5.819
383 H LYS 48 HN LYS 48 31.886 -3.306 5.224
384 HA LYS 48 HA LYS 48 30.225 -5.697 5.526
385 HB2 LYS 48 HB2 LYS 48 31.278 -4.976 7.612
386 HB3 LYS 48 HB1 LYS 48 30.533 -3.395 7.451
387 HG2 LYS 48 HG2 LYS 48 28.354 -4.308 7.745
388 HG3 LYS 48 HG1 LYS 48 28.980 -5.956 7.663
389 HD2 LYS 48 HD2 LYS 48 29.766 -3.958 9.780
390 HD3 LYS 48 HD1 LYS 48 28.476 -5.148 9.974
391 HE2 LYS 48 HE2 LYS 48 31.378 -5.769 9.412
392 HE3 LYS 48 HE1 LYS 48 30.578 -5.914 10.974
393 HZ1 LYS 48 HZ1 LYS 48 30.731 -8.047 9.845
394 HZ2 LYS 48 HZ2 LYS 48 29.857 -7.448 8.533
395 HZ3 LYS 48 HZ3 LYS 48 29.119 -7.587 10.047
396 H LEU 49 HN LEU 49 28.830 -5.147 3.636
397 HA LEU 49 HA LEU 49 27.876 -2.569 3.113
398 HB2 LEU 49 HB2 LEU 49 27.943 -4.546 1.501
399 HB3 LEU 49 HB1 LEU 49 26.503 -5.145 2.296
400 HG LEU 49 HG LEU 49 26.156 -3.970 0.099
401 HD11 LEU 49 HD11 LEU 49 24.723 -2.805 2.476
402 HD12 LEU 49 HD12 LEU 49 24.305 -4.293 1.627
403 HD13 LEU 49 HD13 LEU 49 24.169 -2.741 0.803
404 HD21 LEU 49 HD21 LEU 49 27.791 -2.180 0.408
405 HD22 LEU 49 HD22 LEU 49 26.806 -1.504 1.707
406 HD23 LEU 49 HD23 LEU 49 26.187 -1.540 0.058
407 H ALA 50 HN ALA 50 26.360 -5.241 4.916
408 HA ALA 50 HA ALA 50 23.899 -3.881 5.323
409 HB1 ALA 50 HB1 ALA 50 24.158 -6.342 5.522
410 HB2 ALA 50 HB2 ALA 50 23.346 -5.603 6.900
411 HB3 ALA 50 HB3 ALA 50 25.033 -6.089 7.033
412 H ASP 51 HN ASP 51 26.397 -4.660 7.747
413 HA ASP 51 HA ASP 51 27.156 -3.588 9.581
414 HB2 ASP 51 HB2 ASP 51 27.966 -1.901 8.031
415 HB3 ASP 51 HB1 ASP 51 26.396 -1.105 8.027
416 H TYR 52 HN TYR 52 25.686 -4.410 11.012
417 HA TYR 52 HA TYR 52 24.074 -2.494 12.346
418 HB2 TYR 52 HB2 TYR 52 22.497 -3.063 10.550
419 HB3 TYR 52 HB1 TYR 52 22.660 -4.772 10.929
420 HD1 TYR 52 HD1 TYR 52 21.791 -1.573 12.669
421 HD2 TYR 52 HD2 TYR 52 20.982 -5.722 12.196
422 HE1 TYR 52 HE1 TYR 52 19.924 -1.387 14.257
423 HE2 TYR 52 HE2 TYR 52 19.116 -5.546 13.785
424 HH TYR 52 HH TYR 52 18.323 -4.161 15.539
Start of MODEL 3
1 H1 GLY 1 HT1 GLY 1 -2.199 -18.030 14.903
2 H2 GLY 1 HT2 GLY 1 -1.539 -16.721 14.066
3 H3 GLY 1 HT3 GLY 1 -1.789 -18.186 13.268
4 HA2 GLY 1 HA1 GLY 1 -4.177 -17.953 13.571
5 HA3 GLY 1 HA2 GLY 1 -3.884 -16.399 14.338
6 H SER 2 HN SER 2 -5.515 -16.590 12.159
7 HA SER 2 HA SER 2 -4.220 -16.189 9.680
8 HB2 SER 2 HB2 SER 2 -6.993 -15.370 10.554
9 HB3 SER 2 HB1 SER 2 -6.422 -15.467 8.888
10 HG SER 2 HG SER 2 -6.731 -17.582 10.751
11 H VAL 3 HN VAL 3 -4.766 -14.138 12.366
12 HA VAL 3 HA VAL 3 -4.803 -11.631 11.146
13 HB VAL 3 HB VAL 3 -5.290 -11.924 13.522
14 HG11 VAL 3 HG11 VAL 3 -3.519 -12.323 15.160
15 HG12 VAL 3 HG12 VAL 3 -2.360 -12.546 13.850
16 HG13 VAL 3 HG13 VAL 3 -3.698 -13.679 14.047
17 HG21 VAL 3 HG21 VAL 3 -3.992 -10.036 14.432
18 HG22 VAL 3 HG22 VAL 3 -4.603 -9.711 12.811
19 HG23 VAL 3 HG23 VAL 3 -2.907 -10.134 13.044
20 H GLU 4 HN GLU 4 -2.179 -13.864 11.722
21 HA GLU 4 HA GLU 4 -0.070 -12.000 11.221
22 HB2 GLU 4 HB2 GLU 4 -0.086 -15.026 11.176
23 HB3 GLU 4 HB1 GLU 4 1.352 -14.023 11.065
24 HG2 GLU 4 HG2 GLU 4 -0.543 -13.918 13.387
25 HG3 GLU 4 HG1 GLU 4 0.866 -14.976 13.325
26 H LYS 5 HN LYS 5 -2.228 -13.783 9.235
27 HA LYS 5 HA LYS 5 -0.559 -13.814 6.908
28 HB2 LYS 5 HB2 LYS 5 -2.268 -15.492 7.116
29 HB3 LYS 5 HB1 LYS 5 -3.511 -14.274 7.346
30 HG2 LYS 5 HG2 LYS 5 -3.053 -13.488 5.019
31 HG3 LYS 5 HG1 LYS 5 -1.993 -14.887 4.824
32 HD2 LYS 5 HD2 LYS 5 -3.830 -16.393 5.231
33 HD3 LYS 5 HD1 LYS 5 -4.901 -15.040 5.604
34 HE2 LYS 5 HE2 LYS 5 -4.619 -14.217 3.302
35 HE3 LYS 5 HE1 LYS 5 -3.600 -15.613 2.947
36 HZ1 LYS 5 HZ1 LYS 5 -6.443 -15.724 3.782
37 HZ2 LYS 5 HZ2 LYS 5 -5.472 -17.053 3.424
38 HZ3 LYS 5 HZ3 LYS 5 -5.876 -15.951 2.211
39 H LEU 6 HN LEU 6 -3.333 -11.919 8.023
40 HA LEU 6 HA LEU 6 -3.138 -10.131 5.781
41 HB2 LEU 6 HB2 LEU 6 -4.988 -8.883 6.995
42 HB3 LEU 6 HB1 LEU 6 -5.339 -10.505 6.442
43 HG LEU 6 HG LEU 6 -4.785 -11.224 8.866
44 HD11 LEU 6 HD11 LEU 6 -5.259 -9.519 10.552
45 HD12 LEU 6 HD12 LEU 6 -5.305 -8.291 9.286
46 HD13 LEU 6 HD13 LEU 6 -3.805 -9.153 9.625
47 HD21 LEU 6 HD21 LEU 6 -7.264 -9.628 8.240
48 HD22 LEU 6 HD22 LEU 6 -7.089 -10.785 9.561
49 HD23 LEU 6 HD23 LEU 6 -7.004 -11.337 7.889
50 H THR 7 HN THR 7 -1.269 -10.372 8.422
51 HA THR 7 HA THR 7 -0.417 -7.660 8.136
52 HB THR 7 HB THR 7 -1.026 -8.846 10.859
53 HG1 THR 7 HG1 THR 7 -2.518 -7.449 9.108
54 HG21 THR 7 HG21 THR 7 -0.357 -6.636 11.705
55 HG22 THR 7 HG22 THR 7 0.061 -6.134 10.067
56 HG23 THR 7 HG23 THR 7 0.976 -7.418 10.856
57 H ALA 8 HN ALA 8 1.555 -8.505 7.269
58 HA ALA 8 HA ALA 8 3.439 -9.610 9.140
59 HB1 ALA 8 HB1 ALA 8 4.052 -11.506 7.677
60 HB2 ALA 8 HB2 ALA 8 2.659 -11.142 6.656
61 HB3 ALA 8 HB3 ALA 8 2.421 -11.652 8.327
62 H ASP 9 HN ASP 9 2.719 -8.761 5.789
63 HA ASP 9 HA ASP 9 5.359 -8.295 4.959
64 HB2 ASP 9 HB2 ASP 9 2.786 -7.037 3.950
65 HB3 ASP 9 HB1 ASP 9 4.335 -6.999 3.117
66 H ALA 10 HN ALA 10 2.907 -6.185 6.284
67 HA ALA 10 HA ALA 10 4.521 -3.841 6.361
68 HB1 ALA 10 HB1 ALA 10 2.059 -3.724 6.460
69 HB2 ALA 10 HB2 ALA 10 2.816 -2.869 7.801
70 HB3 ALA 10 HB3 ALA 10 2.096 -4.453 8.069
71 H GLU 11 HN GLU 11 4.258 -6.565 8.461
72 HA GLU 11 HA GLU 11 5.365 -5.304 10.794
73 HB2 GLU 11 HB2 GLU 11 3.949 -7.360 10.924
74 HB3 GLU 11 HB1 GLU 11 5.219 -8.274 10.131
75 HG2 GLU 11 HG2 GLU 11 6.709 -7.620 12.054
76 HG3 GLU 11 HG1 GLU 11 5.252 -7.026 12.852
77 H LEU 12 HN LEU 12 6.610 -7.497 8.326
78 HA LEU 12 HA LEU 12 9.307 -7.407 9.213
79 HB2 LEU 12 HB2 LEU 12 9.873 -8.524 7.105
80 HB3 LEU 12 HB1 LEU 12 8.504 -9.284 7.878
81 HG LEU 12 HG LEU 12 7.092 -7.826 6.176
82 HD11 LEU 12 HD11 LEU 12 8.182 -7.475 4.067
83 HD12 LEU 12 HD12 LEU 12 9.731 -7.955 4.766
84 HD13 LEU 12 HD13 LEU 12 8.912 -6.498 5.340
85 HD21 LEU 12 HD21 LEU 12 8.664 -10.256 5.352
86 HD22 LEU 12 HD22 LEU 12 7.231 -9.633 4.535
87 HD23 LEU 12 HD23 LEU 12 7.108 -10.238 6.185
88 H GLN 13 HN GLN 13 7.385 -5.382 7.240
89 HA GLN 13 HA GLN 13 9.321 -4.082 5.690
90 HB2 GLN 13 HB2 GLN 13 6.888 -3.839 5.305
91 HB3 GLN 13 HB1 GLN 13 6.758 -2.901 6.788
92 HG2 GLN 13 HG2 GLN 13 8.296 -1.235 5.790
93 HG3 GLN 13 HG1 GLN 13 8.234 -2.149 4.282
94 HE21 GLN 13 HE21 GLN 13 6.306 -2.205 3.118
95 HE22 GLN 13 HE22 GLN 13 5.053 -1.042 3.377
96 H ARG 14 HN ARG 14 7.867 -2.931 8.791
97 HA ARG 14 HA ARG 14 9.674 -0.762 8.945
98 HB2 ARG 14 HB2 ARG 14 7.535 -0.577 10.067
99 HB3 ARG 14 HB1 ARG 14 7.890 -1.980 11.070
100 HG2 ARG 14 HG2 ARG 14 9.745 -0.752 12.101
101 HG3 ARG 14 HG1 ARG 14 9.332 0.658 11.129
102 HD2 ARG 14 HD2 ARG 14 7.239 0.897 12.226
103 HD3 ARG 14 HD1 ARG 14 7.410 -0.668 13.024
104 HE ARG 14 HE ARG 14 9.587 0.728 13.864
105 HH11 ARG 14 HH11 ARG 14 6.152 1.452 13.893
106 HH12 ARG 14 HH12 ARG 14 6.231 2.339 15.373
107 HH21 ARG 14 HH21 ARG 14 9.698 1.888 15.779
108 HH22 ARG 14 HH22 ARG 14 8.271 2.597 16.466
109 H LEU 15 HN LEU 15 9.916 -4.112 9.939
110 HA LEU 15 HA LEU 15 11.775 -3.692 12.040
111 HB2 LEU 15 HB2 LEU 15 10.427 -5.748 11.791
112 HB3 LEU 15 HB1 LEU 15 11.288 -6.128 10.315
113 HG LEU 15 HG LEU 15 13.384 -6.342 11.622
114 HD11 LEU 15 HD11 LEU 15 12.838 -4.881 13.481
115 HD12 LEU 15 HD12 LEU 15 13.248 -6.493 14.064
116 HD13 LEU 15 HD13 LEU 15 11.561 -5.982 13.997
117 HD21 LEU 15 HD21 LEU 15 12.798 -8.470 12.687
118 HD22 LEU 15 HD22 LEU 15 12.057 -8.312 11.095
119 HD23 LEU 15 HD23 LEU 15 11.088 -8.066 12.548
120 H LYS 16 HN LYS 16 11.989 -4.198 8.599
121 HA LYS 16 HA LYS 16 14.876 -4.406 8.620
122 HB2 LYS 16 HB2 LYS 16 13.539 -5.674 6.969
123 HB3 LYS 16 HB1 LYS 16 12.967 -4.161 6.279
124 HG2 LYS 16 HG2 LYS 16 15.280 -3.592 5.676
125 HG3 LYS 16 HG1 LYS 16 15.802 -5.157 6.307
126 HD2 LYS 16 HD2 LYS 16 14.347 -6.284 4.690
127 HD3 LYS 16 HD1 LYS 16 13.841 -4.719 4.057
128 HE2 LYS 16 HE2 LYS 16 15.544 -5.679 2.632
129 HE3 LYS 16 HE1 LYS 16 16.165 -4.237 3.435
130 HZ1 LYS 16 HZ1 LYS 16 16.696 -7.039 4.259
131 HZ2 LYS 16 HZ2 LYS 16 17.295 -5.656 5.028
132 HZ3 LYS 16 HZ3 LYS 16 17.781 -6.025 3.452
133 H ASN 17 HN ASN 17 12.435 -2.026 7.671
134 HA ASN 17 HA ASN 17 14.294 -0.186 6.551
135 HB2 ASN 17 HB2 ASN 17 11.449 0.212 7.492
136 HB3 ASN 17 HB1 ASN 17 12.410 1.486 6.758
137 HD21 ASN 17 HD21 ASN 17 13.761 -0.317 4.896
138 HD22 ASN 17 HD22 ASN 17 12.585 -0.714 3.695
139 H GLU 18 HN GLU 18 12.796 -0.401 9.757
140 HA GLU 18 HA GLU 18 13.893 2.012 10.741
141 HB2 GLU 18 HB2 GLU 18 11.992 0.825 11.800
142 HB3 GLU 18 HB1 GLU 18 13.084 -0.460 12.286
143 HG2 GLU 18 HG2 GLU 18 14.328 1.132 13.665
144 HG3 GLU 18 HG1 GLU 18 13.204 2.404 13.191
145 H ARG 19 HN ARG 19 14.985 -1.337 10.845
146 HA ARG 19 HA ARG 19 17.264 -0.925 12.462
147 HB2 ARG 19 HB2 ARG 19 16.274 -3.168 11.913
148 HB3 ARG 19 HB1 ARG 19 16.963 -3.020 10.299
149 HG2 ARG 19 HG2 ARG 19 19.203 -2.873 11.332
150 HG3 ARG 19 HG1 ARG 19 18.455 -3.167 12.904
151 HD2 ARG 19 HD2 ARG 19 18.540 -4.998 10.521
152 HD3 ARG 19 HD1 ARG 19 19.266 -5.250 12.105
153 HE ARG 19 HE ARG 19 16.362 -5.004 11.950
154 HH11 ARG 19 HH11 ARG 19 19.174 -7.045 12.403
155 HH12 ARG 19 HH12 ARG 19 18.261 -8.380 13.020
156 HH21 ARG 19 HH21 ARG 19 15.155 -6.792 12.781
157 HH22 ARG 19 HH22 ARG 19 15.990 -8.237 13.233
158 H HIS 20 HN HIS 20 16.870 -0.997 8.956
159 HA HIS 20 HA HIS 20 19.575 -0.473 8.324
160 HB2 HIS 20 HB2 HIS 20 18.043 -1.374 6.633
161 HB3 HIS 20 HB1 HIS 20 17.091 0.109 6.677
162 HD1 HIS 20 HD1 HIS 20 17.669 1.778 4.957
163 HD2 HIS 20 HD2 HIS 20 20.810 -0.839 5.694
164 HE1 HIS 20 HE1 HIS 20 19.453 2.394 3.305
165 H GLU 21 HN GLU 21 16.862 1.630 9.003
166 HA GLU 21 HA GLU 21 18.095 4.042 8.144
167 HB2 GLU 21 HB2 GLU 21 15.590 3.670 8.622
168 HB3 GLU 21 HB1 GLU 21 16.000 3.897 10.319
169 HG2 GLU 21 HG2 GLU 21 15.153 5.937 9.335
170 HG3 GLU 21 HG1 GLU 21 16.840 6.126 9.817
171 H GLU 22 HN GLU 22 17.995 2.330 11.222
172 HA GLU 22 HA GLU 22 19.289 4.316 12.752
173 HB2 GLU 22 HB2 GLU 22 18.161 2.344 13.790
174 HB3 GLU 22 HB1 GLU 22 19.465 1.316 13.200
175 HG2 GLU 22 HG2 GLU 22 21.033 2.840 14.486
176 HG3 GLU 22 HG1 GLU 22 19.592 3.493 15.257
177 H ALA 23 HN ALA 23 20.607 1.479 11.010
178 HA ALA 23 HA ALA 23 23.289 1.881 11.614
179 HB1 ALA 23 HB1 ALA 23 22.457 -0.178 10.560
180 HB2 ALA 23 HB2 ALA 23 23.802 0.512 9.660
181 HB3 ALA 23 HB3 ALA 23 22.160 0.711 9.063
182 H GLU 24 HN GLU 24 21.293 3.442 9.220
183 HA GLU 24 HA GLU 24 23.400 4.634 7.734
184 HB2 GLU 24 HB2 GLU 24 20.777 4.473 7.226
185 HB3 GLU 24 HB1 GLU 24 20.763 6.053 7.993
186 HG2 GLU 24 HG2 GLU 24 22.504 5.341 5.654
187 HG3 GLU 24 HG1 GLU 24 20.896 6.033 5.507
188 H LEU 25 HN LEU 25 21.384 5.884 10.384
189 HA LEU 25 HA LEU 25 22.844 8.297 10.718
190 HB2 LEU 25 HB2 LEU 25 21.160 6.780 12.710
191 HB3 LEU 25 HB1 LEU 25 21.731 8.424 12.924
192 HG LEU 25 HG LEU 25 19.832 7.509 10.761
193 HD11 LEU 25 HD11 LEU 25 18.794 7.442 12.945
194 HD12 LEU 25 HD12 LEU 25 18.161 8.791 12.001
195 HD13 LEU 25 HD13 LEU 25 19.342 9.084 13.279
196 HD21 LEU 25 HD21 LEU 25 19.541 9.909 10.336
197 HD22 LEU 25 HD22 LEU 25 21.194 9.385 10.034
198 HD23 LEU 25 HD23 LEU 25 20.805 10.265 11.511
199 H GLU 26 HN GLU 26 23.129 5.138 12.049
200 HA GLU 26 HA GLU 26 25.159 5.470 13.949
201 HB2 GLU 26 HB2 GLU 26 23.965 3.315 13.415
202 HB3 GLU 26 HB1 GLU 26 24.993 3.163 11.998
203 HG2 GLU 26 HG2 GLU 26 25.911 1.788 13.680
204 HG3 GLU 26 HG1 GLU 26 26.963 3.194 13.536
205 H ARG 27 HN ARG 27 25.350 5.138 10.467
206 HA ARG 27 HA ARG 27 28.192 5.231 10.239
207 HB2 ARG 27 HB2 ARG 27 26.687 4.329 8.467
208 HB3 ARG 27 HB1 ARG 27 26.103 5.959 8.166
209 HG2 ARG 27 HG2 ARG 27 28.329 6.628 7.444
210 HG3 ARG 27 HG1 ARG 27 28.928 4.998 7.773
211 HD2 ARG 27 HD2 ARG 27 26.835 5.796 5.754
212 HD3 ARG 27 HD1 ARG 27 28.459 5.193 5.420
213 HE ARG 27 HE ARG 27 27.546 3.143 6.749
214 HH11 ARG 27 HH11 ARG 27 25.830 5.049 4.351
215 HH12 ARG 27 HH12 ARG 27 24.766 3.766 3.900
216 HH21 ARG 27 HH21 ARG 27 26.137 1.436 6.151
217 HH22 ARG 27 HH22 ARG 27 24.947 1.692 4.924
218 H LEU 28 HN LEU 28 25.734 7.617 10.607
219 HA LEU 28 HA LEU 28 27.185 9.855 9.587
220 HB2 LEU 28 HB2 LEU 28 24.695 9.844 9.866
221 HB3 LEU 28 HB1 LEU 28 24.914 9.847 11.605
222 HG LEU 28 HG LEU 28 26.056 12.091 9.973
223 HD11 LEU 28 HD11 LEU 28 23.190 11.823 10.860
224 HD12 LEU 28 HD12 LEU 28 23.768 11.869 9.193
225 HD13 LEU 28 HD13 LEU 28 23.935 13.288 10.227
226 HD21 LEU 28 HD21 LEU 28 25.588 13.358 12.013
227 HD22 LEU 28 HD22 LEU 28 26.589 11.949 12.365
228 HD23 LEU 28 HD23 LEU 28 24.868 11.925 12.747
229 H LYS 29 HN LYS 29 27.061 8.167 12.617
230 HA LYS 29 HA LYS 29 28.377 10.102 14.208
231 HB2 LYS 29 HB2 LYS 29 28.434 7.088 14.465
232 HB3 LYS 29 HB1 LYS 29 28.892 8.236 15.712
233 HG2 LYS 29 HG2 LYS 29 26.597 9.036 15.837
234 HG3 LYS 29 HG1 LYS 29 26.130 7.918 14.552
235 HD2 LYS 29 HD2 LYS 29 26.869 6.037 15.974
236 HD3 LYS 29 HD1 LYS 29 27.219 7.187 17.264
237 HE2 LYS 29 HE2 LYS 29 24.885 7.829 17.363
238 HE3 LYS 29 HE1 LYS 29 24.512 6.771 16.001
239 HZ1 LYS 29 HZ1 LYS 29 23.929 5.710 18.079
240 HZ2 LYS 29 HZ2 LYS 29 25.496 5.907 18.668
241 HZ3 LYS 29 HZ3 LYS 29 25.213 4.874 17.362
242 H SER 30 HN SER 30 29.572 7.224 12.400
243 HA SER 30 HA SER 30 32.238 7.591 12.787
244 HB2 SER 30 HB2 SER 30 30.890 6.561 10.290
245 HB3 SER 30 HB1 SER 30 32.518 6.176 10.852
246 HG SER 30 HG SER 30 31.398 5.378 12.813
247 H GLU 31 HN GLU 31 30.100 9.209 10.460
248 HA GLU 31 HA GLU 31 32.084 10.455 8.896
249 HB2 GLU 31 HB2 GLU 31 29.656 10.431 8.322
250 HB3 GLU 31 HB1 GLU 31 29.366 11.578 9.625
251 HG2 GLU 31 HG2 GLU 31 30.901 13.167 8.479
252 HG3 GLU 31 HG1 GLU 31 30.992 12.033 7.134
253 H ARG 32 HN ARG 32 30.419 11.493 11.807
254 HA ARG 32 HA ARG 32 31.734 13.910 12.260
255 HB2 ARG 32 HB2 ARG 32 30.512 11.878 14.108
256 HB3 ARG 32 HB1 ARG 32 31.318 13.298 14.756
257 HG2 ARG 32 HG2 ARG 32 29.723 14.745 13.938
258 HG3 ARG 32 HG1 ARG 32 29.206 13.628 12.677
259 HD2 ARG 32 HD2 ARG 32 27.607 13.972 14.620
260 HD3 ARG 32 HD1 ARG 32 27.988 12.308 14.197
261 HE ARG 32 HE ARG 32 29.727 12.616 16.117
262 HH11 ARG 32 HH11 ARG 32 26.490 13.992 16.058
263 HH12 ARG 32 HH12 ARG 32 26.247 13.812 17.755
264 HH21 ARG 32 HH21 ARG 32 29.394 12.369 18.368
265 HH22 ARG 32 HH22 ARG 32 27.900 12.878 19.084
266 H HIS 33 HN HIS 33 32.770 10.625 12.773
267 HA HIS 33 HA HIS 33 35.144 11.397 14.204
268 HB2 HIS 33 HB2 HIS 33 33.994 8.773 13.379
269 HB3 HIS 33 HB1 HIS 33 35.697 8.871 13.820
270 HD1 HIS 33 HD1 HIS 33 36.008 10.291 16.224
271 HD2 HIS 33 HD2 HIS 33 32.445 8.248 15.534
272 HE1 HIS 33 HE1 HIS 33 34.961 9.973 18.491
273 H ASP 34 HN ASP 34 34.292 11.172 10.935
274 HA ASP 34 HA ASP 34 36.803 10.544 9.816
275 HB2 ASP 34 HB2 ASP 34 34.464 12.137 8.771
276 HB3 ASP 34 HB1 ASP 34 35.995 12.189 7.918
277 H HIS 35 HN HIS 35 35.763 13.193 11.627
278 HA HIS 35 HA HIS 35 37.670 15.112 10.724
279 HB2 HIS 35 HB2 HIS 35 36.074 14.935 13.293
280 HB3 HIS 35 HB1 HIS 35 37.193 16.243 12.943
281 HD2 HIS 35 HD2 HIS 35 33.808 14.846 11.468
282 HE1 HIS 35 HE1 HIS 35 34.303 18.892 10.299
283 HE2 HIS 35 HE2 HIS 35 32.872 16.836 10.107
284 H ASP 36 HN ASP 36 37.699 12.505 13.062
285 HA ASP 36 HA ASP 36 40.136 13.123 14.375
286 HB2 ASP 36 HB2 ASP 36 38.870 10.422 13.784
287 HB3 ASP 36 HB1 ASP 36 40.248 10.660 14.842
288 H LYS 37 HN LYS 37 39.291 11.682 11.366
289 HA LYS 37 HA LYS 37 41.970 10.766 10.721
290 HB2 LYS 37 HB2 LYS 37 39.538 10.863 8.944
291 HB3 LYS 37 HB1 LYS 37 40.970 9.865 8.748
292 HG2 LYS 37 HG2 LYS 37 40.378 8.534 10.649
293 HG3 LYS 37 HG1 LYS 37 39.033 9.610 11.035
294 HD2 LYS 37 HD2 LYS 37 38.186 7.634 9.935
295 HD3 LYS 37 HD1 LYS 37 37.992 9.024 8.869
296 HE2 LYS 37 HE2 LYS 37 38.797 7.104 7.622
297 HE3 LYS 37 HE1 LYS 37 40.021 8.370 7.659
298 HZ1 LYS 37 HZ1 LYS 37 41.169 7.178 9.400
299 HZ2 LYS 37 HZ2 LYS 37 40.961 6.173 8.062
300 HZ3 LYS 37 HZ3 LYS 37 39.972 5.986 9.424
301 H LYS 38 HN LYS 38 40.424 13.635 10.732
302 HA LYS 38 HA LYS 38 41.590 14.637 8.235
303 HB2 LYS 38 HB2 LYS 38 39.191 15.108 8.667
304 HB3 LYS 38 HB1 LYS 38 39.631 15.971 10.129
305 HG2 LYS 38 HG2 LYS 38 40.875 17.592 8.760
306 HG3 LYS 38 HG1 LYS 38 40.334 16.744 7.310
307 HD2 LYS 38 HD2 LYS 38 37.979 17.121 8.068
308 HD3 LYS 38 HD1 LYS 38 38.618 18.133 9.363
309 HE2 LYS 38 HE2 LYS 38 37.905 19.513 7.506
310 HE3 LYS 38 HE1 LYS 38 39.657 19.592 7.679
311 HZ1 LYS 38 HZ1 LYS 38 38.253 17.837 5.740
312 HZ2 LYS 38 HZ2 LYS 38 39.918 18.104 5.848
313 HZ3 LYS 38 HZ3 LYS 38 38.895 19.352 5.363
314 H GLU 39 HN GLU 39 41.426 15.326 11.708
315 HA GLU 39 HA GLU 39 44.130 16.280 11.713
316 HB2 GLU 39 HB2 GLU 39 42.806 18.257 10.934
317 HB3 GLU 39 HB1 GLU 39 41.910 18.195 12.444
318 HG2 GLU 39 HG2 GLU 39 43.649 19.896 12.496
319 HG3 GLU 39 HG1 GLU 39 43.948 18.633 13.689
320 H ALA 40 HN ALA 40 45.010 15.956 13.681
321 HA ALA 40 HA ALA 40 43.342 14.659 15.680
322 HB1 ALA 40 HB1 ALA 40 46.333 15.112 15.721
323 HB2 ALA 40 HB2 ALA 40 45.525 13.679 15.083
324 HB3 ALA 40 HB3 ALA 40 45.413 14.064 16.798
325 H GLU 41 HN GLU 41 43.454 17.680 15.121
326 HA GLU 41 HA GLU 41 43.187 18.459 17.859
327 HB2 GLU 41 HB2 GLU 41 45.635 18.790 17.387
328 HB3 GLU 41 HB1 GLU 41 45.182 19.941 16.137
329 HG2 GLU 41 HG2 GLU 41 44.001 21.264 17.895
330 HG3 GLU 41 HG1 GLU 41 44.692 20.172 19.094
331 H ARG 42 HN ARG 42 41.068 18.638 17.066
332 HA ARG 42 HA ARG 42 40.474 21.182 15.950
333 HB2 ARG 42 HB2 ARG 42 39.711 18.578 14.634
334 HB3 ARG 42 HB1 ARG 42 38.732 20.022 14.443
335 HG2 ARG 42 HG2 ARG 42 41.644 19.850 13.698
336 HG3 ARG 42 HG1 ARG 42 40.312 19.572 12.574
337 HD2 ARG 42 HD2 ARG 42 40.986 21.819 12.257
338 HD3 ARG 42 HD1 ARG 42 39.488 21.880 13.180
339 HE ARG 42 HE ARG 42 41.888 21.923 14.781
340 HH11 ARG 42 HH11 ARG 42 39.487 23.845 13.084
341 HH12 ARG 42 HH12 ARG 42 39.839 25.291 13.959
342 HH21 ARG 42 HH21 ARG 42 42.350 23.855 15.950
343 HH22 ARG 42 HH22 ARG 42 41.472 25.301 15.592
344 H LYS 43 HN LYS 43 39.062 21.901 17.127
345 HA LYS 43 HA LYS 43 37.607 20.503 19.121
346 HB2 LYS 43 HB2 LYS 43 38.197 22.929 19.295
347 HB3 LYS 43 HB1 LYS 43 36.993 23.277 18.062
348 HG2 LYS 43 HG2 LYS 43 35.242 22.412 19.546
349 HG3 LYS 43 HG1 LYS 43 36.462 22.099 20.781
350 HD2 LYS 43 HD2 LYS 43 35.826 24.807 19.606
351 HD3 LYS 43 HD1 LYS 43 35.241 24.213 21.159
352 HE2 LYS 43 HE2 LYS 43 38.134 24.636 20.396
353 HE3 LYS 43 HE1 LYS 43 37.178 25.686 21.435
354 HZ1 LYS 43 HZ1 LYS 43 38.560 24.225 22.732
355 HZ2 LYS 43 HZ2 LYS 43 37.890 22.863 22.003
356 HZ3 LYS 43 HZ3 LYS 43 36.932 23.848 22.990
357 H ALA 44 HN ALA 44 37.067 20.794 15.828
358 HA ALA 44 HA ALA 44 34.334 21.019 15.497
359 HB1 ALA 44 HB1 ALA 44 35.859 20.942 13.587
360 HB2 ALA 44 HB2 ALA 44 34.568 19.758 13.406
361 HB3 ALA 44 HB3 ALA 44 36.176 19.231 13.888
362 H LEU 45 HN LEU 45 36.123 17.932 16.021
363 HA LEU 45 HA LEU 45 33.876 16.293 16.134
364 HB2 LEU 45 HB2 LEU 45 36.112 15.377 15.959
365 HB3 LEU 45 HB1 LEU 45 36.525 15.999 17.545
366 HG LEU 45 HG LEU 45 34.769 14.494 18.516
367 HD11 LEU 45 HD11 LEU 45 34.747 13.330 15.740
368 HD12 LEU 45 HD12 LEU 45 33.412 14.156 16.544
369 HD13 LEU 45 HD13 LEU 45 33.995 12.612 17.163
370 HD21 LEU 45 HD21 LEU 45 37.108 13.889 18.612
371 HD22 LEU 45 HD22 LEU 45 37.021 13.193 16.995
372 HD23 LEU 45 HD23 LEU 45 36.124 12.456 18.322
373 H GLU 46 HN GLU 46 35.555 18.023 18.790
374 HA GLU 46 HA GLU 46 34.065 17.024 20.896
375 HB2 GLU 46 HB2 GLU 46 35.257 19.786 20.637
376 HB3 GLU 46 HB1 GLU 46 34.919 18.915 22.124
377 HG2 GLU 46 HG2 GLU 46 36.940 18.089 20.057
378 HG3 GLU 46 HG1 GLU 46 37.304 18.944 21.552
379 H ASP 47 HN ASP 47 33.632 19.876 18.877
380 HA ASP 47 HA ASP 47 31.374 20.965 20.141
381 HB2 ASP 47 HB2 ASP 47 32.850 22.081 18.361
382 HB3 ASP 47 HB1 ASP 47 31.899 21.201 17.168
383 H LYS 48 HN LYS 48 31.604 18.121 18.345
384 HA LYS 48 HA LYS 48 28.763 18.118 17.669
385 HB2 LYS 48 HB2 LYS 48 30.945 16.112 16.993
386 HB3 LYS 48 HB1 LYS 48 29.255 15.924 16.555
387 HG2 LYS 48 HG2 LYS 48 31.050 18.171 15.668
388 HG3 LYS 48 HG1 LYS 48 30.613 16.757 14.705
389 HD2 LYS 48 HD2 LYS 48 28.261 17.405 14.821
390 HD3 LYS 48 HD1 LYS 48 28.690 18.805 15.801
391 HE2 LYS 48 HE2 LYS 48 30.043 19.674 13.952
392 HE3 LYS 48 HE1 LYS 48 29.585 18.280 12.972
393 HZ1 LYS 48 HZ1 LYS 48 28.252 20.279 12.514
394 HZ2 LYS 48 HZ2 LYS 48 27.668 20.237 14.103
395 HZ3 LYS 48 HZ3 LYS 48 27.311 18.976 13.039
396 H LEU 49 HN LEU 49 31.035 15.922 19.341
397 HA LEU 49 HA LEU 49 29.062 14.383 20.622
398 HB2 LEU 49 HB2 LEU 49 31.413 13.660 20.413
399 HB3 LEU 49 HB1 LEU 49 31.898 14.908 21.548
400 HG LEU 49 HG LEU 49 30.529 13.770 23.292
401 HD11 LEU 49 HD11 LEU 49 29.832 11.456 22.891
402 HD12 LEU 49 HD12 LEU 49 30.275 11.624 21.192
403 HD13 LEU 49 HD13 LEU 49 28.966 12.596 21.864
404 HD21 LEU 49 HD21 LEU 49 32.681 12.109 21.987
405 HD22 LEU 49 HD22 LEU 49 32.114 11.941 23.648
406 HD23 LEU 49 HD23 LEU 49 32.934 13.418 23.142
407 H ALA 50 HN ALA 50 30.408 17.420 21.435
408 HA ALA 50 HA ALA 50 28.653 17.576 23.791
409 HB1 ALA 50 HB1 ALA 50 31.538 18.452 23.804
410 HB2 ALA 50 HB2 ALA 50 30.891 17.025 24.614
411 HB3 ALA 50 HB3 ALA 50 30.389 18.635 25.129
412 H ASP 51 HN ASP 51 28.158 19.741 24.465
413 HA ASP 51 HA ASP 51 29.000 21.941 22.864
414 HB2 ASP 51 HB2 ASP 51 26.800 22.627 22.045
415 HB3 ASP 51 HB1 ASP 51 27.196 21.033 21.422
416 H TYR 52 HN TYR 52 29.145 23.618 24.084
417 HA TYR 52 HA TYR 52 29.139 24.950 25.930
418 HB2 TYR 52 HB2 TYR 52 26.262 24.023 26.045
419 HB3 TYR 52 HB1 TYR 52 26.922 25.311 27.046
420 HD1 TYR 52 HD1 TYR 52 25.834 24.366 23.692
421 HD2 TYR 52 HD2 TYR 52 27.558 27.446 26.061
422 HE1 TYR 52 HE1 TYR 52 25.380 25.988 21.903
423 HE2 TYR 52 HE2 TYR 52 27.110 29.076 24.282
424 HH TYR 52 HH TYR 52 26.729 29.132 21.899
Start of MODEL 4
1 H1 GLY 1 HT1 GLY 1 1.248 -23.277 4.269
2 H2 GLY 1 HT2 GLY 1 0.690 -21.696 4.076
3 H3 GLY 1 HT3 GLY 1 -0.382 -22.917 4.520
4 HA2 GLY 1 HA1 GLY 1 0.756 -23.198 6.623
5 HA3 GLY 1 HA2 GLY 1 1.876 -21.928 6.156
6 H SER 2 HN SER 2 1.399 -19.928 6.745
7 HA SER 2 HA SER 2 -1.348 -19.100 7.068
8 HB2 SER 2 HB2 SER 2 -0.746 -20.062 9.285
9 HB3 SER 2 HB1 SER 2 0.613 -18.944 9.378
10 HG SER 2 HG SER 2 -1.099 -18.047 10.496
11 H VAL 3 HN VAL 3 -1.519 -16.780 7.283
12 HA VAL 3 HA VAL 3 0.883 -15.367 6.342
13 HB VAL 3 HB VAL 3 -1.937 -14.509 5.666
14 HG11 VAL 3 HG11 VAL 3 -0.855 -13.262 3.871
15 HG12 VAL 3 HG12 VAL 3 0.710 -13.921 4.341
16 HG13 VAL 3 HG13 VAL 3 -0.152 -12.840 5.435
17 HG21 VAL 3 HG21 VAL 3 -1.680 -16.758 4.763
18 HG22 VAL 3 HG22 VAL 3 -0.166 -16.290 3.988
19 HG23 VAL 3 HG23 VAL 3 -1.687 -15.567 3.463
20 H GLU 4 HN GLU 4 -1.231 -15.877 8.759
21 HA GLU 4 HA GLU 4 -1.720 -14.911 10.713
22 HB2 GLU 4 HB2 GLU 4 0.618 -13.170 10.027
23 HB3 GLU 4 HB1 GLU 4 -0.177 -13.190 11.597
24 HG2 GLU 4 HG2 GLU 4 0.336 -15.609 11.768
25 HG3 GLU 4 HG1 GLU 4 1.243 -15.485 10.265
26 H LYS 5 HN LYS 5 -3.855 -14.255 9.566
27 HA LYS 5 HA LYS 5 -5.427 -12.776 9.095
28 HB2 LYS 5 HB2 LYS 5 -3.719 -10.982 10.830
29 HB3 LYS 5 HB1 LYS 5 -5.383 -10.653 10.366
30 HG2 LYS 5 HG2 LYS 5 -6.167 -12.561 11.582
31 HG3 LYS 5 HG1 LYS 5 -4.515 -13.079 11.916
32 HD2 LYS 5 HD2 LYS 5 -4.163 -11.014 13.214
33 HD3 LYS 5 HD1 LYS 5 -5.843 -10.562 12.914
34 HE2 LYS 5 HE2 LYS 5 -6.621 -12.525 14.087
35 HE3 LYS 5 HE1 LYS 5 -4.966 -13.092 14.295
36 HZ1 LYS 5 HZ1 LYS 5 -4.528 -11.123 15.649
37 HZ2 LYS 5 HZ2 LYS 5 -5.763 -12.073 16.300
38 HZ3 LYS 5 HZ3 LYS 5 -6.143 -10.644 15.489
39 H LEU 6 HN LEU 6 -2.978 -12.964 7.455
40 HA LEU 6 HA LEU 6 -2.094 -12.071 5.567
41 HB2 LEU 6 HB2 LEU 6 -4.418 -10.137 5.720
42 HB3 LEU 6 HB1 LEU 6 -3.389 -10.392 4.327
43 HG LEU 6 HG LEU 6 -5.283 -12.427 5.511
44 HD11 LEU 6 HD11 LEU 6 -5.435 -10.834 2.959
45 HD12 LEU 6 HD12 LEU 6 -6.439 -10.604 4.391
46 HD13 LEU 6 HD13 LEU 6 -6.560 -12.096 3.458
47 HD21 LEU 6 HD21 LEU 6 -4.755 -13.746 3.502
48 HD22 LEU 6 HD22 LEU 6 -3.345 -13.511 4.533
49 HD23 LEU 6 HD23 LEU 6 -3.528 -12.559 3.060
50 H THR 7 HN THR 7 -1.196 -11.185 8.210
51 HA THR 7 HA THR 7 -0.092 -8.655 7.393
52 HB THR 7 HB THR 7 -1.514 -9.008 10.039
53 HG1 THR 7 HG1 THR 7 -2.371 -8.217 7.614
54 HG21 THR 7 HG21 THR 7 -0.066 -6.618 8.871
55 HG22 THR 7 HG22 THR 7 0.516 -7.615 10.203
56 HG23 THR 7 HG23 THR 7 -0.944 -6.648 10.401
57 H ALA 8 HN ALA 8 1.969 -9.711 7.406
58 HA ALA 8 HA ALA 8 3.154 -10.030 10.020
59 HB1 ALA 8 HB1 ALA 8 3.279 -12.223 7.939
60 HB2 ALA 8 HB2 ALA 8 2.448 -12.306 9.491
61 HB3 ALA 8 HB3 ALA 8 4.205 -12.178 9.439
62 H ASP 9 HN ASP 9 3.580 -10.177 6.508
63 HA ASP 9 HA ASP 9 6.361 -9.696 6.465
64 HB2 ASP 9 HB2 ASP 9 4.272 -9.052 4.369
65 HB3 ASP 9 HB1 ASP 9 6.010 -8.992 4.104
66 H ALA 10 HN ALA 10 3.605 -7.551 6.387
67 HA ALA 10 HA ALA 10 4.882 -5.114 5.972
68 HB1 ALA 10 HB1 ALA 10 2.933 -4.042 6.956
69 HB2 ALA 10 HB2 ALA 10 2.409 -5.571 7.654
70 HB3 ALA 10 HB3 ALA 10 2.435 -5.358 5.900
71 H GLU 11 HN GLU 11 4.564 -6.968 8.911
72 HA GLU 11 HA GLU 11 5.500 -4.871 10.631
73 HB2 GLU 11 HB2 GLU 11 5.348 -7.866 11.086
74 HB3 GLU 11 HB1 GLU 11 5.763 -6.688 12.317
75 HG2 GLU 11 HG2 GLU 11 3.122 -6.885 10.872
76 HG3 GLU 11 HG1 GLU 11 3.452 -7.368 12.531
77 H LEU 12 HN LEU 12 6.884 -7.191 8.570
78 HA LEU 12 HA LEU 12 9.511 -7.181 9.768
79 HB2 LEU 12 HB2 LEU 12 8.903 -8.106 6.968
80 HB3 LEU 12 HB1 LEU 12 10.159 -8.666 8.049
81 HG LEU 12 HG LEU 12 7.220 -9.348 8.131
82 HD11 LEU 12 HD11 LEU 12 8.477 -10.592 6.548
83 HD12 LEU 12 HD12 LEU 12 8.000 -11.615 7.903
84 HD13 LEU 12 HD13 LEU 12 9.663 -11.030 7.779
85 HD21 LEU 12 HD21 LEU 12 9.323 -10.012 10.182
86 HD22 LEU 12 HD22 LEU 12 7.687 -10.683 10.107
87 HD23 LEU 12 HD23 LEU 12 7.919 -8.961 10.401
88 H GLN 13 HN GLN 13 7.847 -5.757 7.020
89 HA GLN 13 HA GLN 13 9.977 -4.463 5.757
90 HB2 GLN 13 HB2 GLN 13 7.103 -3.547 5.993
91 HB3 GLN 13 HB1 GLN 13 8.269 -2.955 4.819
92 HG2 GLN 13 HG2 GLN 13 8.378 -5.103 3.760
93 HG3 GLN 13 HG1 GLN 13 7.366 -5.817 5.013
94 HE21 GLN 13 HE21 GLN 13 6.960 -5.700 2.140
95 HE22 GLN 13 HE22 GLN 13 5.442 -4.905 1.900
96 H ARG 14 HN ARG 14 7.847 -3.374 8.343
97 HA ARG 14 HA ARG 14 8.871 -0.777 8.660
98 HB2 ARG 14 HB2 ARG 14 6.798 -1.501 9.757
99 HB3 ARG 14 HB1 ARG 14 7.703 -2.606 10.783
100 HG2 ARG 14 HG2 ARG 14 8.933 -0.548 11.628
101 HG3 ARG 14 HG1 ARG 14 7.664 0.386 10.832
102 HD2 ARG 14 HD2 ARG 14 7.075 0.055 13.139
103 HD3 ARG 14 HD1 ARG 14 5.982 -0.881 12.120
104 HE ARG 14 HE ARG 14 8.316 -2.137 13.391
105 HH11 ARG 14 HH11 ARG 14 4.837 -1.991 12.892
106 HH12 ARG 14 HH12 ARG 14 4.520 -3.496 13.684
107 HH21 ARG 14 HH21 ARG 14 7.897 -4.128 14.470
108 HH22 ARG 14 HH22 ARG 14 6.271 -4.696 14.617
109 H LEU 15 HN LEU 15 9.781 -3.810 10.214
110 HA LEU 15 HA LEU 15 11.793 -2.845 11.897
111 HB2 LEU 15 HB2 LEU 15 10.850 -5.112 12.045
112 HB3 LEU 15 HB1 LEU 15 11.633 -5.536 10.536
113 HG LEU 15 HG LEU 15 13.840 -5.170 11.630
114 HD11 LEU 15 HD11 LEU 15 13.163 -3.637 13.383
115 HD12 LEU 15 HD12 LEU 15 13.925 -5.066 14.079
116 HD13 LEU 15 HD13 LEU 15 12.171 -4.891 14.125
117 HD21 LEU 15 HD21 LEU 15 12.021 -7.190 12.939
118 HD22 LEU 15 HD22 LEU 15 13.783 -7.237 12.952
119 HD23 LEU 15 HD23 LEU 15 12.907 -7.407 11.431
120 H LYS 16 HN LYS 16 11.995 -4.038 8.559
121 HA LYS 16 HA LYS 16 14.746 -3.826 8.197
122 HB2 LYS 16 HB2 LYS 16 12.580 -3.345 6.134
123 HB3 LYS 16 HB1 LYS 16 14.273 -3.653 5.786
124 HG2 LYS 16 HG2 LYS 16 14.063 -5.866 6.811
125 HG3 LYS 16 HG1 LYS 16 12.354 -5.552 7.113
126 HD2 LYS 16 HD2 LYS 16 12.013 -5.271 4.684
127 HD3 LYS 16 HD1 LYS 16 13.713 -5.666 4.419
128 HE2 LYS 16 HE2 LYS 16 11.621 -7.461 5.648
129 HE3 LYS 16 HE1 LYS 16 12.320 -7.617 4.038
130 HZ1 LYS 16 HZ1 LYS 16 14.489 -7.984 5.086
131 HZ2 LYS 16 HZ2 LYS 16 13.357 -9.151 5.545
132 HZ3 LYS 16 HZ3 LYS 16 13.766 -7.914 6.615
133 H ASN 17 HN ASN 17 12.230 -1.391 7.578
134 HA ASN 17 HA ASN 17 13.953 0.638 6.643
135 HB2 ASN 17 HB2 ASN 17 11.276 0.903 8.040
136 HB3 ASN 17 HB1 ASN 17 12.100 2.195 7.178
137 HD21 ASN 17 HD21 ASN 17 9.493 1.004 6.731
138 HD22 ASN 17 HD22 ASN 17 9.498 0.421 5.103
139 H GLU 18 HN GLU 18 12.662 -0.071 9.839
140 HA GLU 18 HA GLU 18 13.719 2.163 11.153
141 HB2 GLU 18 HB2 GLU 18 11.909 0.793 12.055
142 HB3 GLU 18 HB1 GLU 18 13.018 -0.552 12.263
143 HG2 GLU 18 HG2 GLU 18 14.231 0.618 13.946
144 HG3 GLU 18 HG1 GLU 18 13.334 2.102 13.627
145 H ARG 19 HN ARG 19 15.023 -1.140 10.841
146 HA ARG 19 HA ARG 19 17.348 -0.499 12.398
147 HB2 ARG 19 HB2 ARG 19 16.405 -2.849 12.087
148 HB3 ARG 19 HB1 ARG 19 17.148 -2.833 10.490
149 HG2 ARG 19 HG2 ARG 19 19.338 -2.488 11.521
150 HG3 ARG 19 HG1 ARG 19 18.588 -2.515 13.116
151 HD2 ARG 19 HD2 ARG 19 19.477 -4.679 12.752
152 HD3 ARG 19 HD1 ARG 19 17.732 -4.801 12.552
153 HE ARG 19 HE ARG 19 19.133 -4.351 10.091
154 HH11 ARG 19 HH11 ARG 19 17.985 -6.789 12.349
155 HH12 ARG 19 HH12 ARG 19 18.073 -8.083 11.205
156 HH21 ARG 19 HH21 ARG 19 19.235 -6.076 8.554
157 HH22 ARG 19 HH22 ARG 19 18.797 -7.675 9.046
158 H HIS 20 HN HIS 20 16.532 -0.358 9.050
159 HA HIS 20 HA HIS 20 19.206 -0.008 8.076
160 HB2 HIS 20 HB2 HIS 20 17.396 -0.618 6.507
161 HB3 HIS 20 HB1 HIS 20 16.604 0.927 6.811
162 HD1 HIS 20 HD1 HIS 20 17.186 2.761 5.257
163 HD2 HIS 20 HD2 HIS 20 20.048 -0.254 5.251
164 HE1 HIS 20 HE1 HIS 20 18.828 3.402 3.482
165 H GLU 21 HN GLU 21 16.632 2.165 9.062
166 HA GLU 21 HA GLU 21 17.987 4.593 8.629
167 HB2 GLU 21 HB2 GLU 21 15.565 4.500 9.093
168 HB3 GLU 21 HB1 GLU 21 15.900 3.969 10.738
169 HG2 GLU 21 HG2 GLU 21 17.021 6.087 11.186
170 HG3 GLU 21 HG1 GLU 21 16.668 6.616 9.542
171 H GLU 22 HN GLU 22 18.146 2.240 11.164
172 HA GLU 22 HA GLU 22 19.629 3.882 12.963
173 HB2 GLU 22 HB2 GLU 22 18.388 1.989 13.863
174 HB3 GLU 22 HB1 GLU 22 19.297 0.857 12.878
175 HG2 GLU 22 HG2 GLU 22 21.291 1.295 14.120
176 HG3 GLU 22 HG1 GLU 22 20.500 2.593 15.013
177 H ALA 23 HN ALA 23 20.611 1.093 10.871
178 HA ALA 23 HA ALA 23 23.279 1.223 11.014
179 HB1 ALA 23 HB1 ALA 23 22.084 -0.402 9.608
180 HB2 ALA 23 HB2 ALA 23 23.397 0.374 8.732
181 HB3 ALA 23 HB3 ALA 23 21.736 0.874 8.441
182 H GLU 24 HN GLU 24 21.319 3.391 8.970
183 HA GLU 24 HA GLU 24 23.637 4.595 7.821
184 HB2 GLU 24 HB2 GLU 24 22.142 6.334 6.933
185 HB3 GLU 24 HB1 GLU 24 21.535 4.719 6.611
186 HG2 GLU 24 HG2 GLU 24 19.935 4.946 8.411
187 HG3 GLU 24 HG1 GLU 24 20.571 6.544 8.793
188 H LEU 25 HN LEU 25 21.498 5.524 10.466
189 HA LEU 25 HA LEU 25 22.764 7.903 11.213
190 HB2 LEU 25 HB2 LEU 25 20.629 7.151 12.158
191 HB3 LEU 25 HB1 LEU 25 21.444 5.833 12.974
192 HG LEU 25 HG LEU 25 22.673 7.463 14.357
193 HD11 LEU 25 HD11 LEU 25 21.971 9.801 14.354
194 HD12 LEU 25 HD12 LEU 25 20.945 9.493 12.955
195 HD13 LEU 25 HD13 LEU 25 22.695 9.336 12.818
196 HD21 LEU 25 HD21 LEU 25 20.587 6.496 15.172
197 HD22 LEU 25 HD22 LEU 25 19.673 7.789 14.394
198 HD23 LEU 25 HD23 LEU 25 20.767 8.162 15.724
199 H GLU 26 HN GLU 26 23.386 4.623 12.135
200 HA GLU 26 HA GLU 26 25.559 5.057 13.891
201 HB2 GLU 26 HB2 GLU 26 24.390 2.879 13.701
202 HB3 GLU 26 HB1 GLU 26 25.146 2.630 12.133
203 HG2 GLU 26 HG2 GLU 26 27.345 2.633 13.181
204 HG3 GLU 26 HG1 GLU 26 26.603 2.914 14.753
205 H ARG 27 HN ARG 27 25.422 4.930 10.414
206 HA ARG 27 HA ARG 27 28.290 4.988 10.103
207 HB2 ARG 27 HB2 ARG 27 26.087 5.504 8.086
208 HB3 ARG 27 HB1 ARG 27 27.799 5.389 7.706
209 HG2 ARG 27 HG2 ARG 27 27.857 3.090 8.407
210 HG3 ARG 27 HG1 ARG 27 26.181 3.181 8.945
211 HD2 ARG 27 HD2 ARG 27 25.477 3.620 6.634
212 HD3 ARG 27 HD1 ARG 27 27.158 3.497 6.109
213 HE ARG 27 HE ARG 27 26.537 1.170 7.497
214 HH11 ARG 27 HH11 ARG 27 25.546 2.747 4.517
215 HH12 ARG 27 HH12 ARG 27 25.200 1.258 3.707
216 HH21 ARG 27 HH21 ARG 27 26.067 -0.781 6.428
217 HH22 ARG 27 HH22 ARG 27 25.496 -0.758 4.793
218 H LEU 28 HN LEU 28 25.658 7.282 10.196
219 HA LEU 28 HA LEU 28 27.065 9.554 9.304
220 HB2 LEU 28 HB2 LEU 28 24.723 9.407 11.201
221 HB3 LEU 28 HB1 LEU 28 25.297 10.862 10.419
222 HG LEU 28 HG LEU 28 24.078 8.468 9.047
223 HD11 LEU 28 HD11 LEU 28 22.257 9.999 8.521
224 HD12 LEU 28 HD12 LEU 28 23.049 11.268 9.453
225 HD13 LEU 28 HD13 LEU 28 22.461 9.817 10.263
226 HD21 LEU 28 HD21 LEU 28 25.096 11.068 7.905
227 HD22 LEU 28 HD22 LEU 28 24.173 9.854 7.018
228 HD23 LEU 28 HD23 LEU 28 25.778 9.463 7.633
229 H LYS 29 HN LYS 29 26.834 8.017 12.468
230 HA LYS 29 HA LYS 29 27.976 10.225 13.840
231 HB2 LYS 29 HB2 LYS 29 28.217 8.739 15.778
232 HB3 LYS 29 HB1 LYS 29 26.616 8.617 15.082
233 HG2 LYS 29 HG2 LYS 29 27.090 6.423 15.536
234 HG3 LYS 29 HG1 LYS 29 27.614 6.538 13.858
235 HD2 LYS 29 HD2 LYS 29 29.937 6.856 14.618
236 HD3 LYS 29 HD1 LYS 29 29.399 6.717 16.293
237 HE2 LYS 29 HE2 LYS 29 28.599 4.440 15.836
238 HE3 LYS 29 HE1 LYS 29 29.153 4.586 14.168
239 HZ1 LYS 29 HZ1 LYS 29 30.726 3.376 15.534
240 HZ2 LYS 29 HZ2 LYS 29 30.887 4.692 16.576
241 HZ3 LYS 29 HZ3 LYS 29 31.424 4.811 14.976
242 H SER 30 HN SER 30 29.364 7.358 12.226
243 HA SER 30 HA SER 30 31.954 7.928 13.168
244 HB2 SER 30 HB2 SER 30 32.519 6.400 11.112
245 HB3 SER 30 HB1 SER 30 31.741 5.716 12.538
246 HG SER 30 HG SER 30 30.273 6.663 10.295
247 H GLU 31 HN GLU 31 30.013 9.031 10.456
248 HA GLU 31 HA GLU 31 32.127 10.183 8.960
249 HB2 GLU 31 HB2 GLU 31 29.258 11.132 9.146
250 HB3 GLU 31 HB1 GLU 31 30.413 11.582 7.904
251 HG2 GLU 31 HG2 GLU 31 30.530 9.076 7.395
252 HG3 GLU 31 HG1 GLU 31 29.052 8.962 8.344
253 H ARG 32 HN ARG 32 29.943 11.440 11.375
254 HA ARG 32 HA ARG 32 30.780 13.983 11.811
255 HB2 ARG 32 HB2 ARG 32 29.132 12.463 13.168
256 HB3 ARG 32 HB1 ARG 32 30.524 12.194 14.206
257 HG2 ARG 32 HG2 ARG 32 29.263 13.945 15.169
258 HG3 ARG 32 HG1 ARG 32 30.696 14.685 14.450
259 HD2 ARG 32 HD2 ARG 32 28.720 16.002 13.943
260 HD3 ARG 32 HD1 ARG 32 29.373 15.294 12.469
261 HE ARG 32 HE ARG 32 27.299 13.717 13.706
262 HH11 ARG 32 HH11 ARG 32 27.970 16.304 11.432
263 HH12 ARG 32 HH12 ARG 32 26.448 16.170 10.629
264 HH21 ARG 32 HH21 ARG 32 25.294 13.523 12.635
265 HH22 ARG 32 HH22 ARG 32 24.902 14.569 11.315
266 H HIS 33 HN HIS 33 32.394 11.085 13.112
267 HA HIS 33 HA HIS 33 34.594 12.547 14.227
268 HB2 HIS 33 HB2 HIS 33 33.970 10.397 15.186
269 HB3 HIS 33 HB1 HIS 33 34.260 9.594 13.648
270 HD1 HIS 33 HD1 HIS 33 36.591 8.749 13.230
271 HD2 HIS 33 HD2 HIS 33 36.396 11.375 16.446
272 HE1 HIS 33 HE1 HIS 33 38.865 8.694 14.275
273 H ASP 34 HN ASP 34 33.970 10.828 11.274
274 HA ASP 34 HA ASP 34 36.522 10.662 10.149
275 HB2 ASP 34 HB2 ASP 34 34.516 9.541 9.208
276 HB3 ASP 34 HB1 ASP 34 33.885 11.106 8.706
277 H HIS 35 HN HIS 35 34.141 13.243 9.927
278 HA HIS 35 HA HIS 35 35.856 14.994 8.402
279 HB2 HIS 35 HB2 HIS 35 33.389 15.155 8.211
280 HB3 HIS 35 HB1 HIS 35 33.274 15.583 9.912
281 HD2 HIS 35 HD2 HIS 35 34.372 17.218 6.525
282 HE1 HIS 35 HE1 HIS 35 33.871 20.256 9.431
283 HE2 HIS 35 HE2 HIS 35 34.108 19.742 6.979
284 H ASP 36 HN ASP 36 35.254 14.442 11.754
285 HA ASP 36 HA ASP 36 36.450 16.868 12.705
286 HB2 ASP 36 HB2 ASP 36 34.872 15.599 14.118
287 HB3 ASP 36 HB1 ASP 36 35.999 14.245 14.168
288 H LYS 37 HN LYS 37 37.638 13.775 11.723
289 HA LYS 37 HA LYS 37 40.366 14.688 12.178
290 HB2 LYS 37 HB2 LYS 37 39.847 13.171 14.041
291 HB3 LYS 37 HB1 LYS 37 39.337 11.931 12.905
292 HG2 LYS 37 HG2 LYS 37 41.666 11.910 11.993
293 HG3 LYS 37 HG1 LYS 37 42.127 13.005 13.298
294 HD2 LYS 37 HD2 LYS 37 40.834 10.323 13.766
295 HD3 LYS 37 HD1 LYS 37 42.581 10.553 13.710
296 HE2 LYS 37 HE2 LYS 37 40.736 12.022 15.588
297 HE3 LYS 37 HE1 LYS 37 41.595 10.543 16.007
298 HZ1 LYS 37 HZ1 LYS 37 42.887 13.080 15.166
299 HZ2 LYS 37 HZ2 LYS 37 43.682 11.670 15.638
300 HZ3 LYS 37 HZ3 LYS 37 42.759 12.532 16.759
301 H LYS 38 HN LYS 38 39.878 15.164 9.898
302 HA LYS 38 HA LYS 38 39.631 13.162 7.918
303 HB2 LYS 38 HB2 LYS 38 41.019 15.810 7.558
304 HB3 LYS 38 HB1 LYS 38 40.184 14.862 6.341
305 HG2 LYS 38 HG2 LYS 38 38.055 15.325 7.389
306 HG3 LYS 38 HG1 LYS 38 38.863 16.203 8.690
307 HD2 LYS 38 HD2 LYS 38 39.810 17.724 6.914
308 HD3 LYS 38 HD1 LYS 38 38.710 16.944 5.776
309 HE2 LYS 38 HE2 LYS 38 37.724 18.990 6.594
310 HE3 LYS 38 HE1 LYS 38 36.814 17.609 7.201
311 HZ1 LYS 38 HZ1 LYS 38 37.233 19.331 8.888
312 HZ2 LYS 38 HZ2 LYS 38 38.890 19.067 8.746
313 HZ3 LYS 38 HZ3 LYS 38 37.881 17.833 9.325
314 H GLU 39 HN GLU 39 41.787 12.559 9.871
315 HA GLU 39 HA GLU 39 43.848 11.879 7.955
316 HB2 GLU 39 HB2 GLU 39 45.663 12.654 9.525
317 HB3 GLU 39 HB1 GLU 39 44.779 13.935 8.711
318 HG2 GLU 39 HG2 GLU 39 43.545 14.436 10.694
319 HG3 GLU 39 HG1 GLU 39 44.194 13.018 11.517
320 H ALA 40 HN ALA 40 43.333 9.775 8.168
321 HA ALA 40 HA ALA 40 43.418 7.690 8.918
322 HB1 ALA 40 HB1 ALA 40 45.592 8.172 9.912
323 HB2 ALA 40 HB2 ALA 40 44.678 7.097 10.970
324 HB3 ALA 40 HB3 ALA 40 44.815 8.810 11.361
325 H GLU 41 HN GLU 41 42.289 6.190 10.681
326 HA GLU 41 HA GLU 41 40.412 5.675 11.759
327 HB2 GLU 41 HB2 GLU 41 40.746 8.343 13.146
328 HB3 GLU 41 HB1 GLU 41 39.814 6.969 13.722
329 HG2 GLU 41 HG2 GLU 41 42.797 7.204 13.488
330 HG3 GLU 41 HG1 GLU 41 41.836 7.036 14.953
331 H ARG 42 HN ARG 42 39.159 5.775 9.880
332 HA ARG 42 HA ARG 42 37.597 8.152 9.548
333 HB2 ARG 42 HB2 ARG 42 38.536 6.260 7.381
334 HB3 ARG 42 HB1 ARG 42 37.697 7.784 7.157
335 HG2 ARG 42 HG2 ARG 42 40.496 7.456 8.217
336 HG3 ARG 42 HG1 ARG 42 40.052 7.964 6.589
337 HD2 ARG 42 HD2 ARG 42 39.451 9.430 9.157
338 HD3 ARG 42 HD1 ARG 42 40.656 9.886 7.958
339 HE ARG 42 HE ARG 42 37.735 10.010 7.624
340 HH11 ARG 42 HH11 ARG 42 40.936 10.804 6.451
341 HH12 ARG 42 HH12 ARG 42 40.390 12.070 5.407
342 HH21 ARG 42 HH21 ARG 42 36.990 11.685 6.261
343 HH22 ARG 42 HH22 ARG 42 38.129 12.574 5.295
344 H LYS 43 HN LYS 43 35.725 7.598 8.444
345 HA LYS 43 HA LYS 43 34.075 5.930 9.915
346 HB2 LYS 43 HB2 LYS 43 32.307 6.351 8.261
347 HB3 LYS 43 HB1 LYS 43 33.156 7.815 8.733
348 HG2 LYS 43 HG2 LYS 43 34.453 7.716 6.649
349 HG3 LYS 43 HG1 LYS 43 33.560 6.268 6.177
350 HD2 LYS 43 HD2 LYS 43 31.473 7.545 6.259
351 HD3 LYS 43 HD1 LYS 43 32.382 8.985 6.710
352 HE2 LYS 43 HE2 LYS 43 33.641 8.784 4.576
353 HE3 LYS 43 HE1 LYS 43 32.581 7.449 4.126
354 HZ1 LYS 43 HZ1 LYS 43 31.845 10.280 4.561
355 HZ2 LYS 43 HZ2 LYS 43 30.693 9.056 4.447
356 HZ3 LYS 43 HZ3 LYS 43 31.707 9.387 3.131
357 H ALA 44 HN ALA 44 35.274 5.272 6.585
358 HA ALA 44 HA ALA 44 33.928 2.848 6.272
359 HB1 ALA 44 HB1 ALA 44 35.543 2.319 4.519
360 HB2 ALA 44 HB2 ALA 44 36.605 3.607 5.071
361 HB3 ALA 44 HB3 ALA 44 35.020 3.994 4.389
362 H LEU 45 HN LEU 45 37.158 3.485 7.576
363 HA LEU 45 HA LEU 45 37.747 0.778 8.093
364 HB2 LEU 45 HB2 LEU 45 38.977 3.313 9.179
365 HB3 LEU 45 HB1 LEU 45 39.579 1.713 9.539
366 HG LEU 45 HG LEU 45 39.921 1.401 7.040
367 HD11 LEU 45 HD11 LEU 45 40.147 3.422 5.690
368 HD12 LEU 45 HD12 LEU 45 39.520 4.386 7.026
369 HD13 LEU 45 HD13 LEU 45 38.487 3.193 6.240
370 HD21 LEU 45 HD21 LEU 45 42.028 2.648 7.043
371 HD22 LEU 45 HD22 LEU 45 41.759 1.801 8.567
372 HD23 LEU 45 HD23 LEU 45 41.490 3.541 8.465
373 H GLU 46 HN GLU 46 35.649 2.893 9.737
374 HA GLU 46 HA GLU 46 36.183 1.740 12.361
375 HB2 GLU 46 HB2 GLU 46 35.671 4.165 12.174
376 HB3 GLU 46 HB1 GLU 46 34.067 3.761 11.577
377 HG2 GLU 46 HG2 GLU 46 33.458 2.784 13.661
378 HG3 GLU 46 HG1 GLU 46 35.110 2.906 14.263
379 H ASP 47 HN ASP 47 33.625 1.780 9.945
380 HA ASP 47 HA ASP 47 32.056 -0.188 11.460
381 HB2 ASP 47 HB2 ASP 47 30.923 1.712 10.255
382 HB3 ASP 47 HB1 ASP 47 31.474 1.020 8.732
383 H LYS 48 HN LYS 48 33.945 0.195 8.752
384 HA LYS 48 HA LYS 48 35.194 -1.213 7.360
385 HB2 LYS 48 HB2 LYS 48 35.846 -2.266 9.491
386 HB3 LYS 48 HB1 LYS 48 34.464 -3.344 9.381
387 HG2 LYS 48 HG2 LYS 48 36.556 -4.429 8.710
388 HG3 LYS 48 HG1 LYS 48 35.384 -4.372 7.391
389 HD2 LYS 48 HD2 LYS 48 36.543 -2.411 6.469
390 HD3 LYS 48 HD1 LYS 48 37.725 -2.507 7.776
391 HE2 LYS 48 HE2 LYS 48 38.432 -4.690 7.010
392 HE3 LYS 48 HE1 LYS 48 37.188 -4.679 5.763
393 HZ1 LYS 48 HZ1 LYS 48 38.270 -2.794 4.737
394 HZ2 LYS 48 HZ2 LYS 48 39.355 -4.086 4.885
395 HZ3 LYS 48 HZ3 LYS 48 39.456 -2.778 5.946
396 H LEU 49 HN LEU 49 32.984 -0.707 6.050
397 HA LEU 49 HA LEU 49 31.206 -2.858 5.606
398 HB2 LEU 49 HB2 LEU 49 31.920 -0.492 3.861
399 HB3 LEU 49 HB1 LEU 49 30.651 -1.633 3.488
400 HG LEU 49 HG LEU 49 30.691 0.097 5.957
401 HD11 LEU 49 HD11 LEU 49 30.463 1.455 3.945
402 HD12 LEU 49 HD12 LEU 49 28.943 1.387 4.835
403 HD13 LEU 49 HD13 LEU 49 29.156 0.414 3.380
404 HD21 LEU 49 HD21 LEU 49 28.323 -0.590 6.090
405 HD22 LEU 49 HD22 LEU 49 29.441 -1.940 6.282
406 HD23 LEU 49 HD23 LEU 49 28.596 -1.704 4.751
407 H ALA 50 HN ALA 50 34.096 -1.756 3.903
408 HA ALA 50 HA ALA 50 34.523 -4.417 2.854
409 HB1 ALA 50 HB1 ALA 50 34.657 -3.691 0.535
410 HB2 ALA 50 HB2 ALA 50 34.231 -2.047 1.004
411 HB3 ALA 50 HB3 ALA 50 33.054 -3.349 1.181
412 H ASP 51 HN ASP 51 36.476 -3.669 0.973
413 HA ASP 51 HA ASP 51 38.671 -3.104 2.729
414 HB2 ASP 51 HB2 ASP 51 38.601 -3.411 -0.283
415 HB3 ASP 51 HB1 ASP 51 40.072 -3.257 0.672
416 H TYR 52 HN TYR 52 37.556 -1.505 -0.232
417 HA TYR 52 HA TYR 52 37.540 0.640 -0.922
418 HB2 TYR 52 HB2 TYR 52 36.241 1.091 1.132
419 HB3 TYR 52 HB1 TYR 52 37.737 1.321 2.030
420 HD1 TYR 52 HD1 TYR 52 36.200 2.630 -1.131
421 HD2 TYR 52 HD2 TYR 52 38.287 3.521 2.468
422 HE1 TYR 52 HE1 TYR 52 36.159 5.020 -1.706
423 HE2 TYR 52 HE2 TYR 52 38.253 5.912 1.902
424 HH TYR 52 HH TYR 52 38.073 7.313 -0.145
Start of MODEL 5
1 H1 GLY 1 HT1 GLY 1 -6.597 -10.200 16.509
2 H2 GLY 1 HT2 GLY 1 -5.768 -9.333 15.301
3 H3 GLY 1 HT3 GLY 1 -6.721 -10.661 14.889
4 HA2 GLY 1 HA1 GLY 1 -8.710 -9.546 15.501
5 HA3 GLY 1 HA2 GLY 1 -7.771 -8.184 16.094
6 H SER 2 HN SER 2 -8.106 -6.550 14.757
7 HA SER 2 HA SER 2 -8.152 -7.074 11.878
8 HB2 SER 2 HB2 SER 2 -9.032 -4.626 13.423
9 HB3 SER 2 HB1 SER 2 -9.188 -4.855 11.680
10 HG SER 2 HG SER 2 -11.041 -5.395 13.202
11 H VAL 3 HN VAL 3 -6.278 -5.661 14.390
12 HA VAL 3 HA VAL 3 -4.843 -3.704 13.100
13 HB VAL 3 HB VAL 3 -2.927 -4.243 14.647
14 HG11 VAL 3 HG11 VAL 3 -5.673 -3.965 15.858
15 HG12 VAL 3 HG12 VAL 3 -4.666 -2.657 15.246
16 HG13 VAL 3 HG13 VAL 3 -4.154 -3.575 16.661
17 HG21 VAL 3 HG21 VAL 3 -3.331 -5.885 16.424
18 HG22 VAL 3 HG22 VAL 3 -3.276 -6.653 14.839
19 HG23 VAL 3 HG23 VAL 3 -4.827 -6.375 15.632
20 H GLU 4 HN GLU 4 -4.305 -7.196 12.870
21 HA GLU 4 HA GLU 4 -1.900 -6.834 11.345
22 HB2 GLU 4 HB2 GLU 4 -2.152 -9.294 10.798
23 HB3 GLU 4 HB1 GLU 4 -1.998 -8.900 12.500
24 HG2 GLU 4 HG2 GLU 4 -4.729 -9.185 11.365
25 HG3 GLU 4 HG1 GLU 4 -3.767 -10.640 11.617
26 H LYS 5 HN LYS 5 -5.263 -7.556 10.558
27 HA LYS 5 HA LYS 5 -6.480 -7.331 8.639
28 HB2 LYS 5 HB2 LYS 5 -5.539 -5.009 8.740
29 HB3 LYS 5 HB1 LYS 5 -4.211 -5.535 7.720
30 HG2 LYS 5 HG2 LYS 5 -5.774 -6.004 5.907
31 HG3 LYS 5 HG1 LYS 5 -7.125 -5.528 6.933
32 HD2 LYS 5 HD2 LYS 5 -6.387 -3.269 6.997
33 HD3 LYS 5 HD1 LYS 5 -4.835 -3.690 6.269
34 HE2 LYS 5 HE2 LYS 5 -6.325 -2.623 4.646
35 HE3 LYS 5 HE1 LYS 5 -5.951 -4.280 4.188
36 HZ1 LYS 5 HZ1 LYS 5 -8.285 -3.758 3.871
37 HZ2 LYS 5 HZ2 LYS 5 -8.461 -3.385 5.507
38 HZ3 LYS 5 HZ3 LYS 5 -8.106 -4.967 5.032
39 H LEU 6 HN LEU 6 -4.489 -9.418 8.951
40 HA LEU 6 HA LEU 6 -3.764 -11.265 7.818
41 HB2 LEU 6 HB2 LEU 6 -5.169 -10.051 5.434
42 HB3 LEU 6 HB1 LEU 6 -4.608 -11.705 5.560
43 HG LEU 6 HG LEU 6 -6.805 -10.458 7.215
44 HD11 LEU 6 HD11 LEU 6 -8.281 -11.953 5.975
45 HD12 LEU 6 HD12 LEU 6 -6.917 -12.491 4.997
46 HD13 LEU 6 HD13 LEU 6 -7.463 -10.817 4.903
47 HD21 LEU 6 HD21 LEU 6 -5.596 -12.145 8.482
48 HD22 LEU 6 HD22 LEU 6 -5.762 -13.288 7.149
49 HD23 LEU 6 HD23 LEU 6 -7.191 -12.741 8.026
50 H THR 7 HN THR 7 -2.171 -8.764 7.921
51 HA THR 7 HA THR 7 -0.254 -9.491 5.915
52 HB THR 7 HB THR 7 -1.186 -6.636 6.281
53 HG1 THR 7 HG1 THR 7 -2.154 -8.619 4.758
54 HG21 THR 7 HG21 THR 7 1.203 -6.845 5.752
55 HG22 THR 7 HG22 THR 7 0.312 -6.181 4.383
56 HG23 THR 7 HG23 THR 7 0.813 -7.871 4.373
57 H ALA 8 HN ALA 8 1.087 -10.156 7.756
58 HA ALA 8 HA ALA 8 1.760 -8.087 9.696
59 HB1 ALA 8 HB1 ALA 8 1.327 -10.390 10.523
60 HB2 ALA 8 HB2 ALA 8 2.945 -9.815 10.914
61 HB3 ALA 8 HB3 ALA 8 2.719 -10.959 9.596
62 H ASP 9 HN ASP 9 2.825 -9.499 6.826
63 HA ASP 9 HA ASP 9 5.582 -9.258 6.848
64 HB2 ASP 9 HB2 ASP 9 3.773 -8.568 4.523
65 HB3 ASP 9 HB1 ASP 9 5.457 -9.067 4.431
66 H ALA 10 HN ALA 10 3.114 -6.869 6.400
67 HA ALA 10 HA ALA 10 4.542 -4.630 5.627
68 HB1 ALA 10 HB1 ALA 10 2.869 -3.258 6.762
69 HB2 ALA 10 HB2 ALA 10 2.305 -4.660 7.663
70 HB3 ALA 10 HB3 ALA 10 2.106 -4.596 5.909
71 H GLU 11 HN GLU 11 4.325 -5.981 8.899
72 HA GLU 11 HA GLU 11 5.898 -3.812 10.010
73 HB2 GLU 11 HB2 GLU 11 4.863 -6.352 11.293
74 HB3 GLU 11 HB1 GLU 11 5.689 -5.055 12.140
75 HG2 GLU 11 HG2 GLU 11 3.904 -3.513 11.596
76 HG3 GLU 11 HG1 GLU 11 3.075 -4.762 10.671
77 H LEU 12 HN LEU 12 6.382 -6.936 8.726
78 HA LEU 12 HA LEU 12 8.934 -7.495 9.907
79 HB2 LEU 12 HB2 LEU 12 7.491 -8.594 7.492
80 HB3 LEU 12 HB1 LEU 12 9.175 -8.957 7.748
81 HG LEU 12 HG LEU 12 8.723 -10.167 9.753
82 HD11 LEU 12 HD11 LEU 12 7.012 -8.716 10.714
83 HD12 LEU 12 HD12 LEU 12 6.495 -10.402 10.704
84 HD13 LEU 12 HD13 LEU 12 5.856 -9.277 9.507
85 HD21 LEU 12 HD21 LEU 12 8.330 -11.351 7.655
86 HD22 LEU 12 HD22 LEU 12 6.641 -10.839 7.683
87 HD23 LEU 12 HD23 LEU 12 7.255 -11.928 8.928
88 H GLN 13 HN GLN 13 7.928 -6.207 6.774
89 HA GLN 13 HA GLN 13 10.522 -5.628 5.826
90 HB2 GLN 13 HB2 GLN 13 7.879 -4.361 5.090
91 HB3 GLN 13 HB1 GLN 13 9.379 -4.153 4.202
92 HG2 GLN 13 HG2 GLN 13 9.426 -6.520 3.677
93 HG3 GLN 13 HG1 GLN 13 7.951 -6.769 4.614
94 HE21 GLN 13 HE21 GLN 13 6.002 -6.050 3.798
95 HE22 GLN 13 HE22 GLN 13 5.800 -5.597 2.143
96 H ARG 14 HN ARG 14 8.335 -3.924 7.920
97 HA ARG 14 HA ARG 14 9.766 -1.446 7.699
98 HB2 ARG 14 HB2 ARG 14 7.328 -1.522 8.298
99 HB3 ARG 14 HB1 ARG 14 7.793 -2.173 9.871
100 HG2 ARG 14 HG2 ARG 14 9.153 -0.163 10.266
101 HG3 ARG 14 HG1 ARG 14 8.595 0.490 8.731
102 HD2 ARG 14 HD2 ARG 14 6.268 0.353 9.598
103 HD3 ARG 14 HD1 ARG 14 6.926 -0.141 11.159
104 HE ARG 14 HE ARG 14 7.322 2.472 9.872
105 HH11 ARG 14 HH11 ARG 14 7.445 0.452 12.739
106 HH12 ARG 14 HH12 ARG 14 7.796 1.763 13.804
107 HH21 ARG 14 HH21 ARG 14 7.804 4.207 11.281
108 HH22 ARG 14 HH22 ARG 14 8.009 3.913 12.971
109 H LEU 15 HN LEU 15 10.064 -4.324 9.665
110 HA LEU 15 HA LEU 15 11.451 -3.137 11.813
111 HB2 LEU 15 HB2 LEU 15 10.405 -5.418 11.810
112 HB3 LEU 15 HB1 LEU 15 11.700 -5.959 10.758
113 HG LEU 15 HG LEU 15 13.317 -5.353 12.566
114 HD11 LEU 15 HD11 LEU 15 10.785 -4.981 14.154
115 HD12 LEU 15 HD12 LEU 15 11.992 -3.749 13.785
116 HD13 LEU 15 HD13 LEU 15 12.402 -5.097 14.845
117 HD21 LEU 15 HD21 LEU 15 12.826 -7.321 13.940
118 HD22 LEU 15 HD22 LEU 15 12.596 -7.657 12.224
119 HD23 LEU 15 HD23 LEU 15 11.199 -7.385 13.264
120 H LYS 16 HN LYS 16 12.407 -4.518 8.736
121 HA LYS 16 HA LYS 16 15.216 -4.192 9.131
122 HB2 LYS 16 HB2 LYS 16 14.347 -5.756 7.428
123 HB3 LYS 16 HB1 LYS 16 13.653 -4.412 6.532
124 HG2 LYS 16 HG2 LYS 16 15.867 -3.543 6.074
125 HG3 LYS 16 HG1 LYS 16 16.586 -4.833 7.039
126 HD2 LYS 16 HD2 LYS 16 15.748 -6.502 5.493
127 HD3 LYS 16 HD1 LYS 16 14.912 -5.256 4.566
128 HE2 LYS 16 HE2 LYS 16 17.023 -5.946 3.504
129 HE3 LYS 16 HE1 LYS 16 17.026 -4.244 3.957
130 HZ1 LYS 16 HZ1 LYS 16 18.325 -6.448 5.463
131 HZ2 LYS 16 HZ2 LYS 16 18.308 -4.826 5.935
132 HZ3 LYS 16 HZ3 LYS 16 19.115 -5.285 4.529
133 H ASN 17 HN ASN 17 12.638 -2.186 8.000
134 HA ASN 17 HA ASN 17 14.208 -0.068 6.906
135 HB2 ASN 17 HB2 ASN 17 11.813 -0.208 6.369
136 HB3 ASN 17 HB1 ASN 17 11.398 0.023 8.066
137 HD21 ASN 17 HD21 ASN 17 12.514 1.533 5.160
138 HD22 ASN 17 HD22 ASN 17 12.319 3.164 5.694
139 H GLU 18 HN GLU 18 12.735 -0.618 10.076
140 HA GLU 18 HA GLU 18 13.562 1.667 11.403
141 HB2 GLU 18 HB2 GLU 18 13.056 -1.149 12.305
142 HB3 GLU 18 HB1 GLU 18 13.636 0.058 13.443
143 HG2 GLU 18 HG2 GLU 18 11.138 0.352 11.793
144 HG3 GLU 18 HG1 GLU 18 11.176 -0.263 13.446
145 H ARG 19 HN ARG 19 15.284 -1.369 10.875
146 HA ARG 19 HA ARG 19 17.572 -0.618 12.369
147 HB2 ARG 19 HB2 ARG 19 17.149 -2.984 11.855
148 HB3 ARG 19 HB1 ARG 19 17.387 -2.666 10.140
149 HG2 ARG 19 HG2 ARG 19 19.697 -2.161 10.483
150 HG3 ARG 19 HG1 ARG 19 19.501 -2.226 12.235
151 HD2 ARG 19 HD2 ARG 19 19.019 -4.593 12.126
152 HD3 ARG 19 HD1 ARG 19 19.079 -4.554 10.366
153 HE ARG 19 HE ARG 19 21.497 -3.755 10.809
154 HH11 ARG 19 HH11 ARG 19 19.762 -6.133 12.722
155 HH12 ARG 19 HH12 ARG 19 21.183 -7.013 13.155
156 HH21 ARG 19 HH21 ARG 19 23.403 -4.922 11.409
157 HH22 ARG 19 HH22 ARG 19 23.269 -6.321 12.418
158 H HIS 20 HN HIS 20 16.760 -0.310 8.917
159 HA HIS 20 HA HIS 20 19.235 0.710 8.055
160 HB2 HIS 20 HB2 HIS 20 16.443 1.250 7.010
161 HB3 HIS 20 HB1 HIS 20 17.900 1.842 6.229
162 HD1 HIS 20 HD1 HIS 20 16.430 0.220 4.390
163 HD2 HIS 20 HD2 HIS 20 18.868 -1.577 7.239
164 HE1 HIS 20 HE1 HIS 20 16.895 -2.078 3.517
165 H GLU 21 HN GLU 21 16.414 2.314 9.392
166 HA GLU 21 HA GLU 21 17.236 4.983 9.156
167 HB2 GLU 21 HB2 GLU 21 14.953 4.341 9.844
168 HB3 GLU 21 HB1 GLU 21 15.572 3.711 11.364
169 HG2 GLU 21 HG2 GLU 21 14.547 5.841 11.715
170 HG3 GLU 21 HG1 GLU 21 16.285 5.977 11.975
171 H GLU 22 HN GLU 22 17.792 2.652 11.710
172 HA GLU 22 HA GLU 22 19.404 4.442 13.291
173 HB2 GLU 22 HB2 GLU 22 18.998 1.454 13.535
174 HB3 GLU 22 HB1 GLU 22 19.897 2.433 14.682
175 HG2 GLU 22 HG2 GLU 22 17.854 3.749 15.117
176 HG3 GLU 22 HG1 GLU 22 16.964 2.677 14.041
177 H ALA 23 HN ALA 23 19.984 2.401 10.656
178 HA ALA 23 HA ALA 23 22.791 1.904 11.184
179 HB1 ALA 23 HB1 ALA 23 21.205 1.509 8.630
180 HB2 ALA 23 HB2 ALA 23 21.517 0.277 9.857
181 HB3 ALA 23 HB3 ALA 23 22.847 0.950 8.921
182 H GLU 24 HN GLU 24 20.842 4.094 9.310
183 HA GLU 24 HA GLU 24 22.958 5.364 7.917
184 HB2 GLU 24 HB2 GLU 24 20.407 5.556 7.467
185 HB3 GLU 24 HB1 GLU 24 20.424 6.782 8.730
186 HG2 GLU 24 HG2 GLU 24 20.546 7.798 6.555
187 HG3 GLU 24 HG1 GLU 24 22.050 8.067 7.436
188 H LEU 25 HN LEU 25 21.362 5.995 10.972
189 HA LEU 25 HA LEU 25 22.762 8.292 11.728
190 HB2 LEU 25 HB2 LEU 25 21.653 6.108 13.486
191 HB3 LEU 25 HB1 LEU 25 22.120 7.707 14.029
192 HG LEU 25 HG LEU 25 19.884 7.115 12.090
193 HD11 LEU 25 HD11 LEU 25 18.404 7.751 13.921
194 HD12 LEU 25 HD12 LEU 25 19.794 7.912 14.994
195 HD13 LEU 25 HD13 LEU 25 19.368 6.334 14.335
196 HD21 LEU 25 HD21 LEU 25 19.298 9.480 12.436
197 HD22 LEU 25 HD22 LEU 25 20.879 9.291 11.682
198 HD23 LEU 25 HD23 LEU 25 20.762 9.690 13.396
199 H GLU 26 HN GLU 26 23.541 4.855 12.188
200 HA GLU 26 HA GLU 26 25.837 5.268 13.770
201 HB2 GLU 26 HB2 GLU 26 25.057 2.954 11.992
202 HB3 GLU 26 HB1 GLU 26 26.478 2.943 13.025
203 HG2 GLU 26 HG2 GLU 26 23.602 3.130 13.913
204 HG3 GLU 26 HG1 GLU 26 24.691 1.760 14.100
205 H ARG 27 HN ARG 27 25.393 4.970 10.278
206 HA ARG 27 HA ARG 27 28.189 5.124 9.702
207 HB2 ARG 27 HB2 ARG 27 26.507 4.180 8.092
208 HB3 ARG 27 HB1 ARG 27 25.921 5.817 7.813
209 HG2 ARG 27 HG2 ARG 27 28.018 6.472 6.864
210 HG3 ARG 27 HG1 ARG 27 28.754 4.934 7.316
211 HD2 ARG 27 HD2 ARG 27 26.528 5.349 5.326
212 HD3 ARG 27 HD1 ARG 27 28.200 4.939 4.955
213 HE ARG 27 HE ARG 27 26.124 3.167 5.910
214 HH11 ARG 27 HH11 ARG 27 29.588 3.607 5.478
215 HH12 ARG 27 HH12 ARG 27 29.943 1.919 5.534
216 HH21 ARG 27 HH21 ARG 27 26.594 0.926 5.965
217 HH22 ARG 27 HH22 ARG 27 28.228 0.379 5.806
218 H LEU 28 HN LEU 28 25.758 7.431 10.386
219 HA LEU 28 HA LEU 28 27.172 9.724 9.362
220 HB2 LEU 28 HB2 LEU 28 24.700 9.734 9.722
221 HB3 LEU 28 HB1 LEU 28 24.970 9.610 11.450
222 HG LEU 28 HG LEU 28 26.063 11.813 11.425
223 HD11 LEU 28 HD11 LEU 28 25.847 13.218 9.414
224 HD12 LEU 28 HD12 LEU 28 25.280 11.810 8.517
225 HD13 LEU 28 HD13 LEU 28 26.917 11.838 9.171
226 HD21 LEU 28 HD21 LEU 28 23.311 11.759 10.191
227 HD22 LEU 28 HD22 LEU 28 24.034 13.127 11.039
228 HD23 LEU 28 HD23 LEU 28 23.679 11.635 11.912
229 H LYS 29 HN LYS 29 27.196 7.798 12.181
230 HA LYS 29 HA LYS 29 28.715 9.660 13.804
231 HB2 LYS 29 HB2 LYS 29 27.093 8.152 14.886
232 HB3 LYS 29 HB1 LYS 29 27.952 6.760 14.250
233 HG2 LYS 29 HG2 LYS 29 29.886 7.315 15.624
234 HG3 LYS 29 HG1 LYS 29 29.034 8.725 16.258
235 HD2 LYS 29 HD2 LYS 29 28.937 6.782 17.791
236 HD3 LYS 29 HD1 LYS 29 27.341 7.302 17.251
237 HE2 LYS 29 HE2 LYS 29 27.338 5.509 15.568
238 HE3 LYS 29 HE1 LYS 29 28.923 4.985 16.132
239 HZ1 LYS 29 HZ1 LYS 29 26.521 5.093 17.851
240 HZ2 LYS 29 HZ2 LYS 29 27.998 4.347 18.202
241 HZ3 LYS 29 HZ3 LYS 29 26.984 3.715 16.994
242 H SER 30 HN SER 30 29.226 7.210 11.513
243 HA SER 30 HA SER 30 31.668 6.100 12.203
244 HB2 SER 30 HB2 SER 30 30.352 5.250 10.320
245 HB3 SER 30 HB1 SER 30 30.648 6.737 9.416
246 HG SER 30 HG SER 30 32.160 4.527 9.661
247 H GLU 31 HN GLU 31 31.108 9.015 10.230
248 HA GLU 31 HA GLU 31 33.791 9.630 9.747
249 HB2 GLU 31 HB2 GLU 31 31.836 10.672 8.613
250 HB3 GLU 31 HB1 GLU 31 31.532 11.597 10.076
251 HG2 GLU 31 HG2 GLU 31 33.712 12.663 9.863
252 HG3 GLU 31 HG1 GLU 31 34.022 11.733 8.398
253 H ARG 32 HN ARG 32 31.658 10.642 12.374
254 HA ARG 32 HA ARG 32 33.579 12.245 13.673
255 HB2 ARG 32 HB2 ARG 32 31.217 12.539 14.144
256 HB3 ARG 32 HB1 ARG 32 31.098 10.895 14.754
257 HG2 ARG 32 HG2 ARG 32 32.345 11.407 16.682
258 HG3 ARG 32 HG1 ARG 32 32.906 12.936 16.009
259 HD2 ARG 32 HD2 ARG 32 31.199 13.335 17.676
260 HD3 ARG 32 HD1 ARG 32 30.611 13.794 16.082
261 HE ARG 32 HE ARG 32 29.663 11.302 16.312
262 HH11 ARG 32 HH11 ARG 32 29.607 14.022 18.523
263 HH12 ARG 32 HH12 ARG 32 28.114 13.575 19.266
264 HH21 ARG 32 HH21 ARG 32 27.635 10.693 17.301
265 HH22 ARG 32 HH22 ARG 32 27.000 11.671 18.577
266 H HIS 33 HN HIS 33 32.775 8.847 13.827
267 HA HIS 33 HA HIS 33 34.204 8.166 16.140
268 HB2 HIS 33 HB2 HIS 33 32.587 6.646 15.092
269 HB3 HIS 33 HB1 HIS 33 33.629 6.487 13.686
270 HD1 HIS 33 HD1 HIS 33 33.340 5.443 17.272
271 HD2 HIS 33 HD2 HIS 33 35.729 4.665 13.967
272 HE1 HIS 33 HE1 HIS 33 34.735 3.463 17.911
273 H ASP 34 HN ASP 34 35.200 8.208 12.738
274 HA ASP 34 HA ASP 34 37.817 7.247 13.199
275 HB2 ASP 34 HB2 ASP 34 36.767 8.936 10.915
276 HB3 ASP 34 HB1 ASP 34 38.353 8.184 10.953
277 H HIS 35 HN HIS 35 36.570 10.557 12.822
278 HA HIS 35 HA HIS 35 39.150 11.723 13.209
279 HB2 HIS 35 HB2 HIS 35 36.417 13.008 13.214
280 HB3 HIS 35 HB1 HIS 35 37.940 13.887 13.266
281 HD2 HIS 35 HD2 HIS 35 35.560 13.510 10.675
282 HE1 HIS 35 HE1 HIS 35 39.127 12.430 8.659
283 HE2 HIS 35 HE2 HIS 35 36.840 13.432 8.437
284 H ASP 36 HN ASP 36 36.787 10.552 15.315
285 HA ASP 36 HA ASP 36 37.272 12.198 17.587
286 HB2 ASP 36 HB2 ASP 36 35.280 10.836 17.600
287 HB3 ASP 36 HB1 ASP 36 36.220 9.361 17.382
288 H LYS 37 HN LYS 37 38.755 9.332 16.312
289 HA LYS 37 HA LYS 37 40.696 9.377 18.510
290 HB2 LYS 37 HB2 LYS 37 39.940 7.136 16.628
291 HB3 LYS 37 HB1 LYS 37 41.169 7.029 17.886
292 HG2 LYS 37 HG2 LYS 37 39.602 7.202 19.609
293 HG3 LYS 37 HG1 LYS 37 38.356 7.827 18.533
294 HD2 LYS 37 HD2 LYS 37 38.241 5.636 17.430
295 HD3 LYS 37 HD1 LYS 37 39.459 5.023 18.552
296 HE2 LYS 37 HE2 LYS 37 37.165 4.425 19.239
297 HE3 LYS 37 HE1 LYS 37 37.988 5.426 20.432
298 HZ1 LYS 37 HZ1 LYS 37 35.688 6.130 20.063
299 HZ2 LYS 37 HZ2 LYS 37 36.013 6.431 18.440
300 HZ3 LYS 37 HZ3 LYS 37 36.763 7.361 19.632
301 H LYS 38 HN LYS 38 40.295 10.560 15.602
302 HA LYS 38 HA LYS 38 41.574 11.564 14.054
303 HB2 LYS 38 HB2 LYS 38 43.854 11.009 15.964
304 HB3 LYS 38 HB1 LYS 38 43.933 12.086 14.580
305 HG2 LYS 38 HG2 LYS 38 42.115 12.419 16.960
306 HG3 LYS 38 HG1 LYS 38 43.628 13.284 16.693
307 HD2 LYS 38 HD2 LYS 38 41.239 13.392 14.847
308 HD3 LYS 38 HD1 LYS 38 41.603 14.591 16.085
309 HE2 LYS 38 HE2 LYS 38 43.714 15.111 14.989
310 HE3 LYS 38 HE1 LYS 38 43.402 13.874 13.772
311 HZ1 LYS 38 HZ1 LYS 38 41.476 15.110 13.042
312 HZ2 LYS 38 HZ2 LYS 38 42.849 16.090 12.978
313 HZ3 LYS 38 HZ3 LYS 38 41.732 16.281 14.234
314 H GLU 39 HN GLU 39 43.461 8.785 15.162
315 HA GLU 39 HA GLU 39 44.508 8.381 12.491
316 HB2 GLU 39 HB2 GLU 39 45.958 6.727 13.451
317 HB3 GLU 39 HB1 GLU 39 45.944 8.130 14.506
318 HG2 GLU 39 HG2 GLU 39 44.282 6.891 15.964
319 HG3 GLU 39 HG1 GLU 39 44.565 5.491 14.940
320 H ALA 40 HN ALA 40 41.673 7.531 13.906
321 HA ALA 40 HA ALA 40 40.088 5.902 13.599
322 HB1 ALA 40 HB1 ALA 40 39.857 5.084 11.305
323 HB2 ALA 40 HB2 ALA 40 41.472 5.681 10.926
324 HB3 ALA 40 HB3 ALA 40 40.189 6.815 11.341
325 H GLU 41 HN GLU 41 41.789 4.809 15.282
326 HA GLU 41 HA GLU 41 43.572 2.859 14.720
327 HB2 GLU 41 HB2 GLU 41 41.561 2.827 16.957
328 HB3 GLU 41 HB1 GLU 41 43.056 1.907 16.908
329 HG2 GLU 41 HG2 GLU 41 44.318 4.016 16.834
330 HG3 GLU 41 HG1 GLU 41 42.799 4.898 16.974
331 H ARG 42 HN ARG 42 40.059 2.476 14.550
332 HA ARG 42 HA ARG 42 40.309 0.110 13.120
333 HB2 ARG 42 HB2 ARG 42 39.007 -1.287 14.769
334 HB3 ARG 42 HB1 ARG 42 40.672 -0.967 15.227
335 HG2 ARG 42 HG2 ARG 42 39.868 0.842 16.712
336 HG3 ARG 42 HG1 ARG 42 38.212 0.390 16.309
337 HD2 ARG 42 HD2 ARG 42 40.243 -1.463 17.531
338 HD3 ARG 42 HD1 ARG 42 39.043 -0.570 18.455
339 HE ARG 42 HE ARG 42 38.474 -2.715 16.517
340 HH11 ARG 42 HH11 ARG 42 37.486 -0.688 19.208
341 HH12 ARG 42 HH12 ARG 42 36.097 -1.649 19.587
342 HH21 ARG 42 HH21 ARG 42 36.616 -3.995 17.022
343 HH22 ARG 42 HH22 ARG 42 35.598 -3.527 18.342
344 H LYS 43 HN LYS 43 38.806 0.253 11.830
345 HA LYS 43 HA LYS 43 36.509 1.959 12.212
346 HB2 LYS 43 HB2 LYS 43 37.177 0.234 9.829
347 HB3 LYS 43 HB1 LYS 43 36.006 1.545 9.885
348 HG2 LYS 43 HG2 LYS 43 37.902 3.100 10.400
349 HG3 LYS 43 HG1 LYS 43 39.001 1.756 10.091
350 HD2 LYS 43 HD2 LYS 43 38.888 2.978 8.072
351 HD3 LYS 43 HD1 LYS 43 37.884 1.546 7.827
352 HE2 LYS 43 HE2 LYS 43 36.720 3.453 6.950
353 HE3 LYS 43 HE1 LYS 43 35.892 2.917 8.408
354 HZ1 LYS 43 HZ1 LYS 43 36.093 5.300 8.411
355 HZ2 LYS 43 HZ2 LYS 43 37.756 5.214 8.192
356 HZ3 LYS 43 HZ3 LYS 43 37.071 4.692 9.641
357 H ALA 44 HN ALA 44 37.257 -1.305 12.745
358 HA ALA 44 HA ALA 44 34.985 -2.688 12.044
359 HB1 ALA 44 HB1 ALA 44 37.046 -3.767 12.828
360 HB2 ALA 44 HB2 ALA 44 35.627 -4.338 13.696
361 HB3 ALA 44 HB3 ALA 44 36.717 -3.190 14.466
362 H LEU 45 HN LEU 45 35.086 -0.179 14.327
363 HA LEU 45 HA LEU 45 33.011 -1.361 15.997
364 HB2 LEU 45 HB2 LEU 45 35.058 -0.098 16.931
365 HB3 LEU 45 HB1 LEU 45 34.273 1.357 16.359
366 HG LEU 45 HG LEU 45 32.876 -0.500 18.280
367 HD11 LEU 45 HD11 LEU 45 34.757 1.750 18.976
368 HD12 LEU 45 HD12 LEU 45 35.009 0.035 19.298
369 HD13 LEU 45 HD13 LEU 45 33.707 0.903 20.110
370 HD21 LEU 45 HD21 LEU 45 31.685 1.542 18.909
371 HD22 LEU 45 HD22 LEU 45 31.521 1.220 17.184
372 HD23 LEU 45 HD23 LEU 45 32.638 2.464 17.746
373 H GLU 46 HN GLU 46 33.569 1.071 13.532
374 HA GLU 46 HA GLU 46 30.921 2.205 13.855
375 HB2 GLU 46 HB2 GLU 46 31.516 3.662 11.931
376 HB3 GLU 46 HB1 GLU 46 32.667 3.769 13.246
377 HG2 GLU 46 HG2 GLU 46 33.965 3.786 11.297
378 HG3 GLU 46 HG1 GLU 46 34.111 2.145 11.914
379 H ASP 47 HN ASP 47 32.511 -0.150 11.983
380 HA ASP 47 HA ASP 47 30.850 -0.453 9.794
381 HB2 ASP 47 HB2 ASP 47 32.870 -1.794 10.016
382 HB3 ASP 47 HB1 ASP 47 32.167 -2.669 11.376
383 H LYS 48 HN LYS 48 30.428 -1.960 12.990
384 HA LYS 48 HA LYS 48 28.113 -3.281 12.592
385 HB2 LYS 48 HB2 LYS 48 29.383 -3.338 14.700
386 HB3 LYS 48 HB1 LYS 48 28.838 -1.708 15.078
387 HG2 LYS 48 HG2 LYS 48 26.589 -2.453 15.345
388 HG3 LYS 48 HG1 LYS 48 26.993 -4.054 14.727
389 HD2 LYS 48 HD2 LYS 48 26.851 -4.192 17.117
390 HD3 LYS 48 HD1 LYS 48 28.548 -4.337 16.657
391 HE2 LYS 48 HE2 LYS 48 28.458 -2.888 18.539
392 HE3 LYS 48 HE1 LYS 48 28.777 -1.878 17.133
393 HZ1 LYS 48 HZ1 LYS 48 26.139 -2.256 18.439
394 HZ2 LYS 48 HZ2 LYS 48 26.423 -1.298 17.078
395 HZ3 LYS 48 HZ3 LYS 48 27.118 -0.884 18.559
396 H LEU 49 HN LEU 49 25.991 -2.530 11.895
397 HA LEU 49 HA LEU 49 25.432 0.331 12.179
398 HB2 LEU 49 HB2 LEU 49 24.207 -1.724 10.336
399 HB3 LEU 49 HB1 LEU 49 23.832 -0.016 10.362
400 HG LEU 49 HG LEU 49 26.540 -1.149 9.665
401 HD11 LEU 49 HD11 LEU 49 25.984 -0.565 7.361
402 HD12 LEU 49 HD12 LEU 49 24.359 -0.105 7.868
403 HD13 LEU 49 HD13 LEU 49 24.882 -1.783 8.003
404 HD21 LEU 49 HD21 LEU 49 26.653 1.109 10.569
405 HD22 LEU 49 HD22 LEU 49 25.409 1.641 9.438
406 HD23 LEU 49 HD23 LEU 49 26.983 1.121 8.836
407 H ALA 50 HN ALA 50 25.053 -2.027 13.991
408 HA ALA 50 HA ALA 50 23.026 -1.419 15.642
409 HB1 ALA 50 HB1 ALA 50 21.027 -2.734 15.042
410 HB2 ALA 50 HB2 ALA 50 21.782 -3.174 13.509
411 HB3 ALA 50 HB3 ALA 50 21.376 -1.493 13.842
412 H ASP 51 HN ASP 51 22.491 -4.556 14.295
413 HA ASP 51 HA ASP 51 22.777 -6.652 15.076
414 HB2 ASP 51 HB2 ASP 51 25.467 -5.523 15.886
415 HB3 ASP 51 HB1 ASP 51 25.065 -7.235 15.946
416 H TYR 52 HN TYR 52 24.059 -7.693 17.333
417 HA TYR 52 HA TYR 52 23.782 -8.124 19.511
418 HB2 TYR 52 HB2 TYR 52 24.622 -5.783 19.801
419 HB3 TYR 52 HB1 TYR 52 22.956 -5.224 19.803
420 HD1 TYR 52 HD1 TYR 52 24.915 -7.902 21.527
421 HD2 TYR 52 HD2 TYR 52 22.145 -4.697 21.898
422 HE1 TYR 52 HE1 TYR 52 24.827 -8.269 23.950
423 HE2 TYR 52 HE2 TYR 52 22.049 -5.059 24.329
424 HH TYR 52 HH TYR 52 24.277 -7.060 25.967
Start of MODEL 6
1 H1 GLY 1 HT1 GLY 1 -2.971 -5.742 16.286
2 H2 GLY 1 HT2 GLY 1 -4.332 -6.406 17.044
3 H3 GLY 1 HT3 GLY 1 -4.264 -4.752 16.721
4 HA2 GLY 1 HA1 GLY 1 -4.286 -6.860 14.655
5 HA3 GLY 1 HA2 GLY 1 -5.703 -5.957 15.171
6 H SER 2 HN SER 2 -2.480 -5.617 13.751
7 HA SER 2 HA SER 2 -3.217 -2.987 12.713
8 HB2 SER 2 HB2 SER 2 -0.585 -4.481 12.599
9 HB3 SER 2 HB1 SER 2 -0.849 -2.823 12.060
10 HG SER 2 HG SER 2 -0.032 -3.404 14.351
11 H VAL 3 HN VAL 3 -4.355 -5.596 11.760
12 HA VAL 3 HA VAL 3 -4.870 -6.705 9.835
13 HB VAL 3 HB VAL 3 -3.845 -4.280 8.325
14 HG11 VAL 3 HG11 VAL 3 -5.632 -4.839 6.743
15 HG12 VAL 3 HG12 VAL 3 -6.102 -6.205 7.754
16 HG13 VAL 3 HG13 VAL 3 -4.524 -6.196 6.965
17 HG21 VAL 3 HG21 VAL 3 -6.528 -4.575 9.683
18 HG22 VAL 3 HG22 VAL 3 -6.069 -3.267 8.593
19 HG23 VAL 3 HG23 VAL 3 -5.246 -3.454 10.142
20 H GLU 4 HN GLU 4 -2.310 -7.137 11.016
21 HA GLU 4 HA GLU 4 -0.341 -7.116 8.903
22 HB2 GLU 4 HB2 GLU 4 1.202 -7.875 10.606
23 HB3 GLU 4 HB1 GLU 4 0.291 -6.506 11.213
24 HG2 GLU 4 HG2 GLU 4 -0.299 -9.389 11.874
25 HG3 GLU 4 HG1 GLU 4 0.645 -8.294 12.877
26 H LYS 5 HN LYS 5 -2.650 -9.201 10.304
27 HA LYS 5 HA LYS 5 -1.509 -11.675 9.667
28 HB2 LYS 5 HB2 LYS 5 -4.397 -10.831 9.861
29 HB3 LYS 5 HB1 LYS 5 -3.862 -12.505 9.731
30 HG2 LYS 5 HG2 LYS 5 -2.762 -12.416 11.819
31 HG3 LYS 5 HG1 LYS 5 -2.920 -10.663 11.905
32 HD2 LYS 5 HD2 LYS 5 -5.336 -10.883 12.108
33 HD3 LYS 5 HD1 LYS 5 -5.194 -12.639 11.981
34 HE2 LYS 5 HE2 LYS 5 -5.428 -11.835 14.316
35 HE3 LYS 5 HE1 LYS 5 -3.946 -12.742 14.030
36 HZ1 LYS 5 HZ1 LYS 5 -4.119 -9.776 14.051
37 HZ2 LYS 5 HZ2 LYS 5 -2.706 -10.698 13.939
38 HZ3 LYS 5 HZ3 LYS 5 -3.616 -10.718 15.360
39 H LEU 6 HN LEU 6 -2.988 -9.258 7.680
40 HA LEU 6 HA LEU 6 -3.495 -10.924 5.423
41 HB2 LEU 6 HB2 LEU 6 -4.613 -8.744 5.705
42 HB3 LEU 6 HB1 LEU 6 -3.066 -7.925 5.583
43 HG LEU 6 HG LEU 6 -2.870 -8.811 3.251
44 HD11 LEU 6 HD11 LEU 6 -4.404 -10.689 3.460
45 HD12 LEU 6 HD12 LEU 6 -4.888 -9.611 2.153
46 HD13 LEU 6 HD13 LEU 6 -5.750 -9.575 3.690
47 HD21 LEU 6 HD21 LEU 6 -4.424 -7.181 2.309
48 HD22 LEU 6 HD22 LEU 6 -3.593 -6.528 3.722
49 HD23 LEU 6 HD23 LEU 6 -5.262 -7.081 3.858
50 H THR 7 HN THR 7 -0.766 -8.954 6.511
51 HA THR 7 HA THR 7 0.967 -10.346 4.710
52 HB THR 7 HB THR 7 0.855 -7.322 4.760
53 HG1 THR 7 HG1 THR 7 -0.707 -8.918 3.461
54 HG21 THR 7 HG21 THR 7 3.112 -8.245 4.435
55 HG22 THR 7 HG22 THR 7 2.516 -7.484 2.959
56 HG23 THR 7 HG23 THR 7 2.512 -9.241 3.109
57 H ALA 8 HN ALA 8 2.034 -11.169 6.640
58 HA ALA 8 HA ALA 8 2.729 -9.545 8.843
59 HB1 ALA 8 HB1 ALA 8 4.171 -11.384 9.553
60 HB2 ALA 8 HB2 ALA 8 4.027 -12.144 7.974
61 HB3 ALA 8 HB3 ALA 8 2.612 -12.006 9.023
62 H ASP 9 HN ASP 9 4.125 -10.159 5.802
63 HA ASP 9 HA ASP 9 6.794 -9.428 6.190
64 HB2 ASP 9 HB2 ASP 9 5.020 -9.075 3.763
65 HB3 ASP 9 HB1 ASP 9 6.739 -8.707 3.763
66 H ALA 10 HN ALA 10 3.908 -7.481 5.826
67 HA ALA 10 HA ALA 10 4.942 -4.967 5.413
68 HB1 ALA 10 HB1 ALA 10 2.659 -5.632 7.281
69 HB2 ALA 10 HB2 ALA 10 2.527 -5.401 5.534
70 HB3 ALA 10 HB3 ALA 10 2.995 -4.058 6.570
71 H GLU 11 HN GLU 11 4.568 -6.557 8.595
72 HA GLU 11 HA GLU 11 5.733 -4.347 10.008
73 HB2 GLU 11 HB2 GLU 11 5.224 -7.188 10.911
74 HB3 GLU 11 HB1 GLU 11 5.782 -5.896 11.957
75 HG2 GLU 11 HG2 GLU 11 3.698 -4.656 11.468
76 HG3 GLU 11 HG1 GLU 11 3.131 -6.038 10.533
77 H LEU 12 HN LEU 12 6.942 -7.005 8.322
78 HA LEU 12 HA LEU 12 9.450 -7.228 9.758
79 HB2 LEU 12 HB2 LEU 12 8.389 -8.494 7.236
80 HB3 LEU 12 HB1 LEU 12 10.097 -8.533 7.581
81 HG LEU 12 HG LEU 12 9.806 -9.893 9.500
82 HD11 LEU 12 HD11 LEU 12 7.864 -8.789 10.479
83 HD12 LEU 12 HD12 LEU 12 7.626 -10.535 10.391
84 HD13 LEU 12 HD13 LEU 12 6.833 -9.476 9.225
85 HD21 LEU 12 HD21 LEU 12 8.633 -11.836 8.592
86 HD22 LEU 12 HD22 LEU 12 9.660 -11.066 7.383
87 HD23 LEU 12 HD23 LEU 12 7.914 -10.814 7.348
88 H GLN 13 HN GLN 13 8.346 -5.899 6.696
89 HA GLN 13 HA GLN 13 10.853 -4.852 5.903
90 HB2 GLN 13 HB2 GLN 13 8.046 -4.051 5.119
91 HB3 GLN 13 HB1 GLN 13 9.501 -3.416 4.373
92 HG2 GLN 13 HG2 GLN 13 10.108 -5.569 3.542
93 HG3 GLN 13 HG1 GLN 13 8.788 -6.331 4.430
94 HE21 GLN 13 HE21 GLN 13 7.986 -7.181 2.489
95 HE22 GLN 13 HE22 GLN 13 7.107 -6.184 1.375
96 H ARG 14 HN ARG 14 8.215 -3.578 7.835
97 HA ARG 14 HA ARG 14 9.161 -0.910 7.991
98 HB2 ARG 14 HB2 ARG 14 7.409 -2.495 9.887
99 HB3 ARG 14 HB1 ARG 14 7.783 -0.795 10.104
100 HG2 ARG 14 HG2 ARG 14 6.682 -0.232 8.040
101 HG3 ARG 14 HG1 ARG 14 6.409 -1.938 7.683
102 HD2 ARG 14 HD2 ARG 14 4.406 -0.812 8.595
103 HD3 ARG 14 HD1 ARG 14 4.961 -2.152 9.599
104 HE ARG 14 HE ARG 14 5.904 0.499 10.326
105 HH11 ARG 14 HH11 ARG 14 3.543 -2.039 10.886
106 HH12 ARG 14 HH12 ARG 14 3.167 -1.533 12.495
107 HH21 ARG 14 HH21 ARG 14 5.402 1.198 12.464
108 HH22 ARG 14 HH22 ARG 14 4.243 0.331 13.402
109 H LEU 15 HN LEU 15 9.616 -3.730 10.082
110 HA LEU 15 HA LEU 15 11.303 -2.455 11.953
111 HB2 LEU 15 HB2 LEU 15 10.136 -4.555 12.420
112 HB3 LEU 15 HB1 LEU 15 11.077 -5.371 11.192
113 HG LEU 15 HG LEU 15 13.116 -5.031 12.526
114 HD11 LEU 15 HD11 LEU 15 11.245 -3.880 14.594
115 HD12 LEU 15 HD12 LEU 15 12.469 -2.985 13.695
116 HD13 LEU 15 HD13 LEU 15 12.954 -4.244 14.831
117 HD21 LEU 15 HD21 LEU 15 10.820 -6.356 13.960
118 HD22 LEU 15 HD22 LEU 15 12.521 -6.591 14.345
119 HD23 LEU 15 HD23 LEU 15 11.896 -7.096 12.775
120 H LYS 16 HN LYS 16 11.901 -4.188 8.961
121 HA LYS 16 HA LYS 16 14.730 -4.290 9.157
122 HB2 LYS 16 HB2 LYS 16 13.460 -5.714 7.583
123 HB3 LYS 16 HB1 LYS 16 13.007 -4.288 6.657
124 HG2 LYS 16 HG2 LYS 16 15.333 -3.910 6.077
125 HG3 LYS 16 HG1 LYS 16 15.812 -5.310 7.043
126 HD2 LYS 16 HD2 LYS 16 14.492 -6.770 5.604
127 HD3 LYS 16 HD1 LYS 16 13.967 -5.380 4.655
128 HE2 LYS 16 HE2 LYS 16 16.811 -6.328 4.967
129 HE3 LYS 16 HE1 LYS 16 15.789 -6.604 3.558
130 HZ1 LYS 16 HZ1 LYS 16 16.683 -3.961 4.570
131 HZ2 LYS 16 HZ2 LYS 16 15.672 -4.201 3.240
132 HZ3 LYS 16 HZ3 LYS 16 17.271 -4.747 3.197
133 H ASN 17 HN ASN 17 12.502 -1.902 7.901
134 HA ASN 17 HA ASN 17 14.586 -0.243 6.794
135 HB2 ASN 17 HB2 ASN 17 12.354 -0.152 5.784
136 HB3 ASN 17 HB1 ASN 17 11.664 0.396 7.308
137 HD21 ASN 17 HD21 ASN 17 13.736 1.249 4.635
138 HD22 ASN 17 HD22 ASN 17 13.657 2.961 4.871
139 H GLU 18 HN GLU 18 12.684 -0.340 9.744
140 HA GLU 18 HA GLU 18 13.604 2.099 10.810
141 HB2 GLU 18 HB2 GLU 18 11.627 0.862 11.657
142 HB3 GLU 18 HB1 GLU 18 12.697 -0.377 12.293
143 HG2 GLU 18 HG2 GLU 18 13.616 1.112 13.887
144 HG3 GLU 18 HG1 GLU 18 12.846 2.504 13.127
145 H ARG 19 HN ARG 19 14.833 -1.197 10.947
146 HA ARG 19 HA ARG 19 17.004 -0.660 12.694
147 HB2 ARG 19 HB2 ARG 19 16.222 -2.980 12.143
148 HB3 ARG 19 HB1 ARG 19 16.890 -2.789 10.526
149 HG2 ARG 19 HG2 ARG 19 19.125 -2.535 11.488
150 HG3 ARG 19 HG1 ARG 19 18.447 -2.738 13.105
151 HD2 ARG 19 HD2 ARG 19 17.626 -4.976 12.430
152 HD3 ARG 19 HD1 ARG 19 18.420 -4.766 10.871
153 HE ARG 19 HE ARG 19 20.290 -4.368 12.938
154 HH11 ARG 19 HH11 ARG 19 18.476 -6.945 11.405
155 HH12 ARG 19 HH12 ARG 19 19.621 -8.177 11.807
156 HH21 ARG 19 HH21 ARG 19 21.818 -5.995 13.469
157 HH22 ARG 19 HH22 ARG 19 21.539 -7.627 12.977
158 H HIS 20 HN HIS 20 16.639 -0.543 9.186
159 HA HIS 20 HA HIS 20 19.320 0.163 8.596
160 HB2 HIS 20 HB2 HIS 20 17.673 -0.623 6.858
161 HB3 HIS 20 HB1 HIS 20 16.863 0.938 6.979
162 HD1 HIS 20 HD1 HIS 20 17.798 2.815 5.571
163 HD2 HIS 20 HD2 HIS 20 20.352 -0.458 5.784
164 HE1 HIS 20 HE1 HIS 20 19.636 3.298 3.946
165 H GLU 21 HN GLU 21 16.522 2.017 9.530
166 HA GLU 21 HA GLU 21 17.495 4.613 9.101
167 HB2 GLU 21 HB2 GLU 21 15.134 3.963 9.791
168 HB3 GLU 21 HB1 GLU 21 15.742 3.772 11.429
169 HG2 GLU 21 HG2 GLU 21 14.703 5.881 11.265
170 HG3 GLU 21 HG1 GLU 21 16.445 6.152 11.346
171 H GLU 22 HN GLU 22 17.847 2.440 11.846
172 HA GLU 22 HA GLU 22 19.473 4.173 13.456
173 HB2 GLU 22 HB2 GLU 22 18.258 2.295 14.482
174 HB3 GLU 22 HB1 GLU 22 19.188 1.146 13.529
175 HG2 GLU 22 HG2 GLU 22 20.047 1.141 15.742
176 HG3 GLU 22 HG1 GLU 22 21.231 1.926 14.705
177 H ALA 23 HN ALA 23 20.045 2.316 10.709
178 HA ALA 23 HA ALA 23 22.858 1.813 11.188
179 HB1 ALA 23 HB1 ALA 23 21.545 0.231 9.825
180 HB2 ALA 23 HB2 ALA 23 22.908 0.907 8.936
181 HB3 ALA 23 HB3 ALA 23 21.281 1.502 8.626
182 H GLU 24 HN GLU 24 20.823 4.082 9.496
183 HA GLU 24 HA GLU 24 22.894 5.486 8.169
184 HB2 GLU 24 HB2 GLU 24 20.143 6.420 9.040
185 HB3 GLU 24 HB1 GLU 24 21.222 7.321 7.988
186 HG2 GLU 24 HG2 GLU 24 20.078 4.606 7.392
187 HG3 GLU 24 HG1 GLU 24 19.499 6.137 6.737
188 H LEU 25 HN LEU 25 21.239 5.922 11.251
189 HA LEU 25 HA LEU 25 22.635 8.162 12.170
190 HB2 LEU 25 HB2 LEU 25 21.561 5.824 13.754
191 HB3 LEU 25 HB1 LEU 25 22.079 7.347 14.446
192 HG LEU 25 HG LEU 25 19.771 7.013 12.536
193 HD11 LEU 25 HD11 LEU 25 19.313 5.990 14.695
194 HD12 LEU 25 HD12 LEU 25 18.368 7.463 14.482
195 HD13 LEU 25 HD13 LEU 25 19.800 7.475 15.511
196 HD21 LEU 25 HD21 LEU 25 19.251 9.332 13.153
197 HD22 LEU 25 HD22 LEU 25 20.819 9.205 12.357
198 HD23 LEU 25 HD23 LEU 25 20.732 9.403 14.108
199 H GLU 26 HN GLU 26 23.389 4.709 12.391
200 HA GLU 26 HA GLU 26 25.762 4.945 13.858
201 HB2 GLU 26 HB2 GLU 26 24.318 2.869 13.259
202 HB3 GLU 26 HB1 GLU 26 25.287 2.816 11.794
203 HG2 GLU 26 HG2 GLU 26 26.190 1.324 13.452
204 HG3 GLU 26 HG1 GLU 26 27.315 2.653 13.156
205 H ARG 27 HN ARG 27 25.064 5.084 10.415
206 HA ARG 27 HA ARG 27 27.795 5.127 9.589
207 HB2 ARG 27 HB2 ARG 27 26.064 4.375 8.024
208 HB3 ARG 27 HB1 ARG 27 25.311 5.963 8.062
209 HG2 ARG 27 HG2 ARG 27 26.927 6.916 6.755
210 HG3 ARG 27 HG1 ARG 27 28.155 5.741 7.227
211 HD2 ARG 27 HD2 ARG 27 27.414 5.468 4.889
212 HD3 ARG 27 HD1 ARG 27 27.116 4.040 5.874
213 HE ARG 27 HE ARG 27 24.749 5.123 6.039
214 HH11 ARG 27 HH11 ARG 27 26.836 5.118 3.217
215 HH12 ARG 27 HH12 ARG 27 25.526 5.067 2.094
216 HH21 ARG 27 HH21 ARG 27 23.008 5.024 4.551
217 HH22 ARG 27 HH22 ARG 27 23.348 5.012 2.846
218 H LEU 28 HN LEU 28 25.519 7.555 10.558
219 HA LEU 28 HA LEU 28 26.969 9.804 9.615
220 HB2 LEU 28 HB2 LEU 28 24.617 9.964 10.395
221 HB3 LEU 28 HB1 LEU 28 25.152 9.653 12.038
222 HG LEU 28 HG LEU 28 26.424 11.759 12.013
223 HD11 LEU 28 HD11 LEU 28 26.905 11.930 9.648
224 HD12 LEU 28 HD12 LEU 28 26.050 13.371 10.197
225 HD13 LEU 28 HD13 LEU 28 25.191 12.127 9.288
226 HD21 LEU 28 HD21 LEU 28 24.496 13.264 12.063
227 HD22 LEU 28 HD22 LEU 28 24.155 11.738 12.875
228 HD23 LEU 28 HD23 LEU 28 23.519 12.037 11.257
229 H LYS 29 HN LYS 29 27.379 7.675 12.307
230 HA LYS 29 HA LYS 29 29.180 9.337 13.783
231 HB2 LYS 29 HB2 LYS 29 28.907 6.332 13.869
232 HB3 LYS 29 HB1 LYS 29 29.658 7.347 15.087
233 HG2 LYS 29 HG2 LYS 29 26.739 7.185 14.385
234 HG3 LYS 29 HG1 LYS 29 27.519 6.662 15.877
235 HD2 LYS 29 HD2 LYS 29 28.181 9.045 16.259
236 HD3 LYS 29 HD1 LYS 29 27.182 9.479 14.870
237 HE2 LYS 29 HE2 LYS 29 26.285 8.202 17.443
238 HE3 LYS 29 HE1 LYS 29 25.903 9.820 16.863
239 HZ1 LYS 29 HZ1 LYS 29 24.682 8.812 15.018
240 HZ2 LYS 29 HZ2 LYS 29 24.056 8.335 16.512
241 HZ3 LYS 29 HZ3 LYS 29 25.020 7.269 15.626
242 H SER 30 HN SER 30 29.378 7.466 10.968
243 HA SER 30 HA SER 30 32.202 6.865 11.185
244 HB2 SER 30 HB2 SER 30 30.328 6.566 8.814
245 HB3 SER 30 HB1 SER 30 31.948 5.882 8.956
246 HG SER 30 HG SER 30 29.769 4.689 9.622
247 H GLU 31 HN GLU 31 30.127 9.347 10.083
248 HA GLU 31 HA GLU 31 31.882 10.592 8.232
249 HB2 GLU 31 HB2 GLU 31 29.601 11.747 9.850
250 HB3 GLU 31 HB1 GLU 31 30.408 12.562 8.519
251 HG2 GLU 31 HG2 GLU 31 28.821 10.012 8.334
252 HG3 GLU 31 HG1 GLU 31 28.295 11.612 7.811
253 H ARG 32 HN ARG 32 30.959 11.434 11.548
254 HA ARG 32 HA ARG 32 32.894 13.410 11.966
255 HB2 ARG 32 HB2 ARG 32 31.002 13.133 13.477
256 HB3 ARG 32 HB1 ARG 32 31.603 11.566 13.991
257 HG2 ARG 32 HG2 ARG 32 32.042 13.273 15.671
258 HG3 ARG 32 HG1 ARG 32 33.548 12.638 15.013
259 HD2 ARG 32 HD2 ARG 32 33.672 14.597 13.511
260 HD3 ARG 32 HD1 ARG 32 32.215 15.239 14.268
261 HE ARG 32 HE ARG 32 33.684 15.047 16.402
262 HH11 ARG 32 HH11 ARG 32 34.779 16.018 13.204
263 HH12 ARG 32 HH12 ARG 32 36.054 17.014 13.815
264 HH21 ARG 32 HH21 ARG 32 35.367 16.388 17.194
265 HH22 ARG 32 HH22 ARG 32 36.385 17.232 16.080
266 H HIS 33 HN HIS 33 33.135 9.943 12.204
267 HA HIS 33 HA HIS 33 35.612 9.828 13.596
268 HB2 HIS 33 HB2 HIS 33 33.831 7.912 12.267
269 HB3 HIS 33 HB1 HIS 33 35.532 7.466 12.247
270 HD1 HIS 33 HD1 HIS 33 32.574 7.629 14.419
271 HD2 HIS 33 HD2 HIS 33 36.673 7.110 14.857
272 HE1 HIS 33 HE1 HIS 33 32.890 6.679 16.724
273 H ASP 34 HN ASP 34 34.928 10.719 10.400
274 HA ASP 34 HA ASP 34 37.005 9.484 8.988
275 HB2 ASP 34 HB2 ASP 34 36.608 10.939 7.210
276 HB3 ASP 34 HB1 ASP 34 35.056 10.922 8.025
277 H HIS 35 HN HIS 35 37.055 12.490 10.836
278 HA HIS 35 HA HIS 35 39.636 13.311 10.181
279 HB2 HIS 35 HB2 HIS 35 38.080 14.761 11.426
280 HB3 HIS 35 HB1 HIS 35 38.213 13.710 12.834
281 HD2 HIS 35 HD2 HIS 35 40.522 16.202 10.822
282 HE1 HIS 35 HE1 HIS 35 42.038 15.743 14.746
283 HE2 HIS 35 HE2 HIS 35 42.154 17.073 12.622
284 H ASP 36 HN ASP 36 38.682 10.679 12.214
285 HA ASP 36 HA ASP 36 41.298 10.524 13.504
286 HB2 ASP 36 HB2 ASP 36 38.821 8.818 13.824
287 HB3 ASP 36 HB1 ASP 36 40.342 8.502 14.645
288 H LYS 37 HN LYS 37 39.957 9.484 10.638
289 HA LYS 37 HA LYS 37 42.094 7.578 10.243
290 HB2 LYS 37 HB2 LYS 37 39.956 6.448 11.236
291 HB3 LYS 37 HB1 LYS 37 39.279 6.707 9.638
292 HG2 LYS 37 HG2 LYS 37 40.988 5.331 8.644
293 HG3 LYS 37 HG1 LYS 37 41.795 5.154 10.203
294 HD2 LYS 37 HD2 LYS 37 39.815 4.021 11.099
295 HD3 LYS 37 HD1 LYS 37 39.004 4.207 9.544
296 HE2 LYS 37 HE2 LYS 37 39.856 1.983 9.652
297 HE3 LYS 37 HE1 LYS 37 40.858 2.883 8.515
298 HZ1 LYS 37 HZ1 LYS 37 42.216 1.544 9.951
299 HZ2 LYS 37 HZ2 LYS 37 41.535 2.235 11.329
300 HZ3 LYS 37 HZ3 LYS 37 42.499 3.175 10.301
301 H LYS 38 HN LYS 38 41.821 10.062 9.230
302 HA LYS 38 HA LYS 38 40.365 10.065 6.759
303 HB2 LYS 38 HB2 LYS 38 40.638 12.155 8.045
304 HB3 LYS 38 HB1 LYS 38 42.376 12.090 7.778
305 HG2 LYS 38 HG2 LYS 38 42.073 12.394 5.419
306 HG3 LYS 38 HG1 LYS 38 40.322 12.305 5.597
307 HD2 LYS 38 HD2 LYS 38 40.287 14.342 6.856
308 HD3 LYS 38 HD1 LYS 38 42.050 14.389 6.917
309 HE2 LYS 38 HE2 LYS 38 40.434 14.504 4.376
310 HE3 LYS 38 HE1 LYS 38 41.035 15.924 5.230
311 HZ1 LYS 38 HZ1 LYS 38 42.705 13.750 4.083
312 HZ2 LYS 38 HZ2 LYS 38 43.289 15.101 4.917
313 HZ3 LYS 38 HZ3 LYS 38 42.505 15.294 3.433
314 H GLU 39 HN GLU 39 41.197 8.341 5.723
315 HA GLU 39 HA GLU 39 43.487 8.954 4.060
316 HB2 GLU 39 HB2 GLU 39 44.642 6.832 4.549
317 HB3 GLU 39 HB1 GLU 39 44.578 7.888 5.951
318 HG2 GLU 39 HG2 GLU 39 42.708 6.583 6.841
319 HG3 GLU 39 HG1 GLU 39 42.800 5.525 5.433
320 H ALA 40 HN ALA 40 40.565 8.499 3.840
321 HA ALA 40 HA ALA 40 39.039 7.486 2.480
322 HB1 ALA 40 HB1 ALA 40 40.646 8.117 0.730
323 HB2 ALA 40 HB2 ALA 40 39.829 6.602 0.346
324 HB3 ALA 40 HB3 ALA 40 41.484 6.581 0.953
325 H GLU 41 HN GLU 41 39.786 6.073 4.817
326 HA GLU 41 HA GLU 41 39.227 3.372 4.062
327 HB2 GLU 41 HB2 GLU 41 41.716 3.505 4.195
328 HB3 GLU 41 HB1 GLU 41 41.564 4.117 5.835
329 HG2 GLU 41 HG2 GLU 41 40.494 2.016 6.507
330 HG3 GLU 41 HG1 GLU 41 40.708 1.404 4.870
331 H ARG 42 HN ARG 42 37.328 3.513 5.045
332 HA ARG 42 HA ARG 42 37.275 4.028 7.869
333 HB2 ARG 42 HB2 ARG 42 35.122 4.676 5.839
334 HB3 ARG 42 HB1 ARG 42 34.958 4.842 7.579
335 HG2 ARG 42 HG2 ARG 42 36.832 6.499 7.516
336 HG3 ARG 42 HG1 ARG 42 36.759 6.417 5.755
337 HD2 ARG 42 HD2 ARG 42 34.549 7.282 7.618
338 HD3 ARG 42 HD1 ARG 42 35.484 8.318 6.542
339 HE ARG 42 HE ARG 42 34.373 6.479 4.872
340 HH11 ARG 42 HH11 ARG 42 33.065 8.674 7.278
341 HH12 ARG 42 HH12 ARG 42 31.539 8.864 6.461
342 HH21 ARG 42 HH21 ARG 42 32.354 6.712 3.812
343 HH22 ARG 42 HH22 ARG 42 31.134 7.725 4.500
344 H LYS 43 HN LYS 43 36.565 2.511 8.883
345 HA LYS 43 HA LYS 43 36.282 -0.094 7.993
346 HB2 LYS 43 HB2 LYS 43 35.568 -0.764 10.171
347 HB3 LYS 43 HB1 LYS 43 36.754 0.512 10.362
348 HG2 LYS 43 HG2 LYS 43 35.294 1.887 11.367
349 HG3 LYS 43 HG1 LYS 43 33.974 1.441 10.283
350 HD2 LYS 43 HD2 LYS 43 34.981 -0.286 12.551
351 HD3 LYS 43 HD1 LYS 43 33.586 0.788 12.662
352 HE2 LYS 43 HE2 LYS 43 32.493 -0.454 10.844
353 HE3 LYS 43 HE1 LYS 43 33.881 -1.530 10.742
354 HZ1 LYS 43 HZ1 LYS 43 32.105 -2.530 12.012
355 HZ2 LYS 43 HZ2 LYS 43 32.080 -1.227 13.084
356 HZ3 LYS 43 HZ3 LYS 43 33.431 -2.241 13.018
357 H ALA 44 HN ALA 44 33.824 2.338 8.084
358 HA ALA 44 HA ALA 44 31.531 0.742 8.163
359 HB1 ALA 44 HB1 ALA 44 31.354 3.172 8.285
360 HB2 ALA 44 HB2 ALA 44 30.363 2.563 6.966
361 HB3 ALA 44 HB3 ALA 44 31.905 3.334 6.616
362 H LEU 45 HN LEU 45 33.263 1.884 5.241
363 HA LEU 45 HA LEU 45 31.870 0.328 3.399
364 HB2 LEU 45 HB2 LEU 45 33.248 2.229 2.777
365 HB3 LEU 45 HB1 LEU 45 34.689 1.397 3.320
366 HG LEU 45 HG LEU 45 34.332 -0.291 1.528
367 HD11 LEU 45 HD11 LEU 45 32.198 1.633 0.622
368 HD12 LEU 45 HD12 LEU 45 31.940 -0.009 1.211
369 HD13 LEU 45 HD13 LEU 45 32.807 0.258 -0.300
370 HD21 LEU 45 HD21 LEU 45 34.606 2.587 0.680
371 HD22 LEU 45 HD22 LEU 45 35.068 1.192 -0.293
372 HD23 LEU 45 HD23 LEU 45 35.901 1.522 1.224
373 H GLU 46 HN GLU 46 34.710 -0.410 5.335
374 HA GLU 46 HA GLU 46 35.441 -2.797 3.946
375 HB2 GLU 46 HB2 GLU 46 37.064 -1.529 5.294
376 HB3 GLU 46 HB1 GLU 46 36.148 -1.891 6.752
377 HG2 GLU 46 HG2 GLU 46 36.578 -4.326 6.254
378 HG3 GLU 46 HG1 GLU 46 37.731 -3.772 5.039
379 H ASP 47 HN ASP 47 33.937 -2.270 7.101
380 HA ASP 47 HA ASP 47 33.437 -5.074 7.502
381 HB2 ASP 47 HB2 ASP 47 33.978 -3.612 9.403
382 HB3 ASP 47 HB1 ASP 47 32.517 -2.676 9.116
383 H LYS 48 HN LYS 48 31.684 -2.480 6.021
384 HA LYS 48 HA LYS 48 29.737 -2.368 4.981
385 HB2 LYS 48 HB2 LYS 48 29.745 -5.371 5.413
386 HB3 LYS 48 HB1 LYS 48 28.484 -4.574 4.498
387 HG2 LYS 48 HG2 LYS 48 31.416 -4.562 3.820
388 HG3 LYS 48 HG1 LYS 48 30.181 -5.565 3.057
389 HD2 LYS 48 HD2 LYS 48 29.005 -3.454 2.388
390 HD3 LYS 48 HD1 LYS 48 30.400 -2.556 2.987
391 HE2 LYS 48 HE2 LYS 48 30.399 -4.608 0.774
392 HE3 LYS 48 HE1 LYS 48 30.557 -2.863 0.582
393 HZ1 LYS 48 HZ1 LYS 48 32.623 -2.992 1.888
394 HZ2 LYS 48 HZ2 LYS 48 32.702 -3.876 0.450
395 HZ3 LYS 48 HZ3 LYS 48 32.485 -4.680 1.922
396 H LEU 49 HN LEU 49 27.153 -3.019 5.415
397 HA LEU 49 HA LEU 49 26.736 -2.442 8.228
398 HB2 LEU 49 HB2 LEU 49 25.452 -1.167 6.574
399 HB3 LEU 49 HB1 LEU 49 24.769 -2.649 5.931
400 HG LEU 49 HG LEU 49 23.649 -3.040 8.094
401 HD11 LEU 49 HD11 LEU 49 25.146 -1.832 9.556
402 HD12 LEU 49 HD12 LEU 49 23.509 -1.195 9.703
403 HD13 LEU 49 HD13 LEU 49 24.721 -0.309 8.776
404 HD21 LEU 49 HD21 LEU 49 21.957 -1.283 7.815
405 HD22 LEU 49 HD22 LEU 49 22.453 -1.975 6.273
406 HD23 LEU 49 HD23 LEU 49 23.064 -0.396 6.769
407 H ALA 50 HN ALA 50 26.586 -5.040 6.014
408 HA ALA 50 HA ALA 50 25.896 -6.858 8.142
409 HB1 ALA 50 HB1 ALA 50 24.268 -6.741 5.605
410 HB2 ALA 50 HB2 ALA 50 23.708 -6.276 7.212
411 HB3 ALA 50 HB3 ALA 50 24.121 -7.956 6.873
412 H ASP 51 HN ASP 51 26.710 -8.884 7.811
413 HA ASP 51 HA ASP 51 28.828 -9.121 5.894
414 HB2 ASP 51 HB2 ASP 51 29.043 -9.995 8.181
415 HB3 ASP 51 HB1 ASP 51 27.698 -11.090 7.902
416 H TYR 52 HN TYR 52 25.653 -9.364 5.461
417 HA TYR 52 HA TYR 52 25.871 -11.495 3.460
418 HB2 TYR 52 HB2 TYR 52 23.434 -10.805 5.121
419 HB3 TYR 52 HB1 TYR 52 23.518 -12.046 3.877
420 HD1 TYR 52 HD1 TYR 52 24.508 -11.128 7.290
421 HD2 TYR 52 HD2 TYR 52 24.601 -14.166 4.317
422 HE1 TYR 52 HE1 TYR 52 25.202 -12.759 8.987
423 HE2 TYR 52 HE2 TYR 52 25.294 -15.810 6.009
424 HH TYR 52 HH TYR 52 25.143 -15.148 9.350
Start of MODEL 7
1 H1 GLY 1 HT1 GLY 1 -12.282 -14.694 11.413
2 H2 GLY 1 HT2 GLY 1 -12.217 -16.360 11.112
3 H3 GLY 1 HT3 GLY 1 -12.032 -15.262 9.841
4 HA2 GLY 1 HA1 GLY 1 -10.163 -15.516 12.115
5 HA3 GLY 1 HA2 GLY 1 -9.918 -16.245 10.535
6 H SER 2 HN SER 2 -9.205 -15.019 8.849
7 HA SER 2 HA SER 2 -8.141 -13.339 7.775
8 HB2 SER 2 HB2 SER 2 -10.394 -12.288 7.942
9 HB3 SER 2 HB1 SER 2 -9.899 -11.522 9.451
10 HG SER 2 HG SER 2 -8.249 -10.461 8.262
11 H VAL 3 HN VAL 3 -6.860 -14.411 10.019
12 HA VAL 3 HA VAL 3 -5.852 -12.439 11.777
13 HB VAL 3 HB VAL 3 -4.661 -15.119 11.019
14 HG11 VAL 3 HG11 VAL 3 -4.023 -13.310 13.353
15 HG12 VAL 3 HG12 VAL 3 -2.969 -13.643 11.980
16 HG13 VAL 3 HG13 VAL 3 -3.384 -14.934 13.106
17 HG21 VAL 3 HG21 VAL 3 -6.889 -15.292 12.001
18 HG22 VAL 3 HG22 VAL 3 -6.372 -14.303 13.365
19 HG23 VAL 3 HG23 VAL 3 -5.661 -15.897 13.113
20 H GLU 4 HN GLU 4 -4.171 -14.124 9.092
21 HA GLU 4 HA GLU 4 -2.063 -12.224 9.096
22 HB2 GLU 4 HB2 GLU 4 -2.779 -14.322 7.038
23 HB3 GLU 4 HB1 GLU 4 -1.275 -13.419 7.110
24 HG2 GLU 4 HG2 GLU 4 -0.690 -14.438 9.190
25 HG3 GLU 4 HG1 GLU 4 -2.260 -15.234 9.288
26 H LYS 5 HN LYS 5 -4.759 -12.899 6.778
27 HA LYS 5 HA LYS 5 -5.600 -11.753 5.070
28 HB2 LYS 5 HB2 LYS 5 -6.370 -10.511 7.135
29 HB3 LYS 5 HB1 LYS 5 -5.110 -9.329 6.800
30 HG2 LYS 5 HG2 LYS 5 -6.146 -8.871 4.617
31 HG3 LYS 5 HG1 LYS 5 -7.425 -10.024 5.000
32 HD2 LYS 5 HD2 LYS 5 -8.096 -8.664 6.903
33 HD3 LYS 5 HD1 LYS 5 -6.786 -7.526 6.568
34 HE2 LYS 5 HE2 LYS 5 -7.771 -7.023 4.395
35 HE3 LYS 5 HE1 LYS 5 -9.067 -8.176 4.706
36 HZ1 LYS 5 HZ1 LYS 5 -9.752 -5.901 5.149
37 HZ2 LYS 5 HZ2 LYS 5 -8.527 -5.734 6.305
38 HZ3 LYS 5 HZ3 LYS 5 -9.785 -6.829 6.558
39 H LEU 6 HN LEU 6 -2.600 -11.999 5.057
40 HA LEU 6 HA LEU 6 -0.824 -11.337 3.805
41 HB2 LEU 6 HB2 LEU 6 -2.931 -9.866 2.215
42 HB3 LEU 6 HB1 LEU 6 -1.277 -10.121 1.695
43 HG LEU 6 HG LEU 6 -3.300 -12.310 2.179
44 HD11 LEU 6 HD11 LEU 6 -3.895 -10.971 0.253
45 HD12 LEU 6 HD12 LEU 6 -3.285 -12.544 -0.259
46 HD13 LEU 6 HD13 LEU 6 -2.257 -11.118 -0.382
47 HD21 LEU 6 HD21 LEU 6 -1.636 -13.744 1.073
48 HD22 LEU 6 HD22 LEU 6 -1.020 -13.060 2.577
49 HD23 LEU 6 HD23 LEU 6 -0.510 -12.387 1.029
50 H THR 7 HN THR 7 -1.753 -9.666 6.113
51 HA THR 7 HA THR 7 -0.529 -7.200 5.374
52 HB THR 7 HB THR 7 -1.873 -6.175 7.222
53 HG1 THR 7 HG1 THR 7 -2.658 -8.864 7.613
54 HG21 THR 7 HG21 THR 7 -2.852 -6.198 4.985
55 HG22 THR 7 HG22 THR 7 -4.092 -6.331 6.232
56 HG23 THR 7 HG23 THR 7 -3.595 -7.761 5.325
57 H ALA 8 HN ALA 8 0.118 -6.478 7.914
58 HA ALA 8 HA ALA 8 1.553 -6.694 9.663
59 HB1 ALA 8 HB1 ALA 8 0.269 -8.703 10.302
60 HB2 ALA 8 HB2 ALA 8 1.983 -8.852 10.694
61 HB3 ALA 8 HB3 ALA 8 1.324 -9.684 9.285
62 H ASP 9 HN ASP 9 2.168 -8.127 6.668
63 HA ASP 9 HA ASP 9 4.931 -8.666 6.848
64 HB2 ASP 9 HB2 ASP 9 4.979 -8.691 4.472
65 HB3 ASP 9 HB1 ASP 9 3.379 -9.284 4.898
66 H ALA 10 HN ALA 10 3.119 -5.803 6.747
67 HA ALA 10 HA ALA 10 5.231 -4.038 5.862
68 HB1 ALA 10 HB1 ALA 10 2.664 -3.285 7.277
69 HB2 ALA 10 HB2 ALA 10 2.846 -3.447 5.528
70 HB3 ALA 10 HB3 ALA 10 3.742 -2.205 6.398
71 H GLU 11 HN GLU 11 4.429 -5.561 8.751
72 HA GLU 11 HA GLU 11 5.733 -3.607 10.485
73 HB2 GLU 11 HB2 GLU 11 4.679 -6.384 11.118
74 HB3 GLU 11 HB1 GLU 11 5.218 -5.192 12.290
75 HG2 GLU 11 HG2 GLU 11 2.828 -4.898 10.475
76 HG3 GLU 11 HG1 GLU 11 2.783 -5.344 12.177
77 H LEU 12 HN LEU 12 6.234 -6.411 8.703
78 HA LEU 12 HA LEU 12 8.744 -7.217 9.891
79 HB2 LEU 12 HB2 LEU 12 7.749 -8.030 7.164
80 HB3 LEU 12 HB1 LEU 12 8.828 -8.909 8.224
81 HG LEU 12 HG LEU 12 5.835 -8.609 8.496
82 HD11 LEU 12 HD11 LEU 12 5.829 -11.003 8.328
83 HD12 LEU 12 HD12 LEU 12 7.583 -11.010 8.152
84 HD13 LEU 12 HD13 LEU 12 6.573 -10.261 6.914
85 HD21 LEU 12 HD21 LEU 12 6.022 -9.961 10.517
86 HD22 LEU 12 HD22 LEU 12 6.765 -8.376 10.692
87 HD23 LEU 12 HD23 LEU 12 7.783 -9.804 10.455
88 H GLN 13 HN GLN 13 7.569 -5.562 7.060
89 HA GLN 13 HA GLN 13 10.042 -5.025 5.811
90 HB2 GLN 13 HB2 GLN 13 7.857 -4.787 4.662
91 HB3 GLN 13 HB1 GLN 13 7.477 -3.410 5.688
92 HG2 GLN 13 HG2 GLN 13 9.416 -2.225 4.734
93 HG3 GLN 13 HG1 GLN 13 9.671 -3.592 3.649
94 HE21 GLN 13 HE21 GLN 13 7.636 -0.921 4.444
95 HE22 GLN 13 HE22 GLN 13 6.722 -0.904 2.976
96 H ARG 14 HN ARG 14 8.216 -3.387 8.327
97 HA ARG 14 HA ARG 14 9.846 -1.038 8.303
98 HB2 ARG 14 HB2 ARG 14 7.531 -0.941 9.177
99 HB3 ARG 14 HB1 ARG 14 7.977 -2.033 10.482
100 HG2 ARG 14 HG2 ARG 14 7.918 0.212 11.318
101 HG3 ARG 14 HG1 ARG 14 9.592 -0.345 11.292
102 HD2 ARG 14 HD2 ARG 14 9.691 0.799 8.971
103 HD3 ARG 14 HD1 ARG 14 8.228 1.629 9.495
104 HE ARG 14 HE ARG 14 10.320 1.812 11.437
105 HH11 ARG 14 HH11 ARG 14 9.099 3.242 8.466
106 HH12 ARG 14 HH12 ARG 14 9.969 4.723 8.686
107 HH21 ARG 14 HH21 ARG 14 11.444 3.749 11.719
108 HH22 ARG 14 HH22 ARG 14 11.297 5.027 10.548
109 H LEU 15 HN LEU 15 9.892 -4.114 9.919
110 HA LEU 15 HA LEU 15 11.732 -3.554 11.959
111 HB2 LEU 15 HB2 LEU 15 10.440 -5.624 11.862
112 HB3 LEU 15 HB1 LEU 15 11.286 -6.109 10.408
113 HG LEU 15 HG LEU 15 13.386 -6.253 11.711
114 HD11 LEU 15 HD11 LEU 15 11.593 -5.741 14.071
115 HD12 LEU 15 HD12 LEU 15 12.855 -4.668 13.470
116 HD13 LEU 15 HD13 LEU 15 13.283 -6.238 14.148
117 HD21 LEU 15 HD21 LEU 15 11.096 -7.891 12.788
118 HD22 LEU 15 HD22 LEU 15 12.806 -8.307 12.899
119 HD23 LEU 15 HD23 LEU 15 12.016 -8.235 11.324
120 H LYS 16 HN LYS 16 12.200 -4.495 8.598
121 HA LYS 16 HA LYS 16 15.075 -4.543 8.800
122 HB2 LYS 16 HB2 LYS 16 13.281 -4.567 6.360
123 HB3 LYS 16 HB1 LYS 16 15.015 -4.842 6.346
124 HG2 LYS 16 HG2 LYS 16 14.755 -6.845 7.662
125 HG3 LYS 16 HG1 LYS 16 13.021 -6.553 7.810
126 HD2 LYS 16 HD2 LYS 16 12.763 -6.795 5.400
127 HD3 LYS 16 HD1 LYS 16 14.503 -7.039 5.225
128 HE2 LYS 16 HE2 LYS 16 13.265 -9.160 5.176
129 HE3 LYS 16 HE1 LYS 16 14.374 -9.072 6.544
130 HZ1 LYS 16 HZ1 LYS 16 12.540 -8.560 7.991
131 HZ2 LYS 16 HZ2 LYS 16 12.188 -9.976 7.146
132 HZ3 LYS 16 HZ3 LYS 16 11.459 -8.526 6.690
133 H ASN 17 HN ASN 17 12.623 -2.287 7.860
134 HA ASN 17 HA ASN 17 14.363 -0.385 6.598
135 HB2 ASN 17 HB2 ASN 17 11.950 -0.340 6.106
136 HB3 ASN 17 HB1 ASN 17 11.600 0.039 7.792
137 HD21 ASN 17 HD21 ASN 17 11.971 2.111 8.553
138 HD22 ASN 17 HD22 ASN 17 12.278 3.444 7.502
139 H GLU 18 HN GLU 18 12.996 -0.750 9.816
140 HA GLU 18 HA GLU 18 13.984 1.602 10.968
141 HB2 GLU 18 HB2 GLU 18 12.272 -0.062 11.892
142 HB3 GLU 18 HB1 GLU 18 13.645 -1.024 12.412
143 HG2 GLU 18 HG2 GLU 18 12.813 0.297 14.240
144 HG3 GLU 18 HG1 GLU 18 14.422 0.853 13.780
145 H ARG 19 HN ARG 19 15.394 -1.591 10.516
146 HA ARG 19 HA ARG 19 17.750 -1.115 12.022
147 HB2 ARG 19 HB2 ARG 19 17.016 -3.407 11.333
148 HB3 ARG 19 HB1 ARG 19 17.446 -3.012 9.672
149 HG2 ARG 19 HG2 ARG 19 19.766 -2.716 10.332
150 HG3 ARG 19 HG1 ARG 19 19.342 -3.071 12.007
151 HD2 ARG 19 HD2 ARG 19 18.577 -5.306 11.305
152 HD3 ARG 19 HD1 ARG 19 19.084 -4.941 9.656
153 HE ARG 19 HE ARG 19 21.250 -4.511 11.384
154 HH11 ARG 19 HH11 ARG 19 19.347 -7.168 10.111
155 HH12 ARG 19 HH12 ARG 19 20.631 -8.315 10.231
156 HH21 ARG 19 HH21 ARG 19 22.946 -6.024 11.556
157 HH22 ARG 19 HH22 ARG 19 22.694 -7.660 11.055
158 H HIS 20 HN HIS 20 16.909 -0.648 8.635
159 HA HIS 20 HA HIS 20 19.409 0.226 7.694
160 HB2 HIS 20 HB2 HIS 20 17.603 -0.232 6.107
161 HB3 HIS 20 HB1 HIS 20 16.636 1.079 6.780
162 HD1 HIS 20 HD1 HIS 20 17.212 3.491 6.049
163 HD2 HIS 20 HD2 HIS 20 19.703 0.577 4.404
164 HE1 HIS 20 HE1 HIS 20 18.506 4.647 4.234
165 H GLU 21 HN GLU 21 16.789 1.992 9.259
166 HA GLU 21 HA GLU 21 17.990 4.562 9.000
167 HB2 GLU 21 HB2 GLU 21 15.963 3.688 11.063
168 HB3 GLU 21 HB1 GLU 21 16.278 5.328 10.516
169 HG2 GLU 21 HG2 GLU 21 15.087 3.098 8.879
170 HG3 GLU 21 HG1 GLU 21 14.225 4.476 9.558
171 H GLU 22 HN GLU 22 17.971 2.074 11.464
172 HA GLU 22 HA GLU 22 19.388 3.482 13.457
173 HB2 GLU 22 HB2 GLU 22 18.184 1.338 13.876
174 HB3 GLU 22 HB1 GLU 22 19.408 0.492 12.938
175 HG2 GLU 22 HG2 GLU 22 21.091 1.045 14.555
176 HG3 GLU 22 HG1 GLU 22 19.950 2.048 15.449
177 H ALA 23 HN ALA 23 20.463 1.418 10.804
178 HA ALA 23 HA ALA 23 23.253 1.662 11.383
179 HB1 ALA 23 HB1 ALA 23 21.925 0.894 8.769
180 HB2 ALA 23 HB2 ALA 23 22.375 -0.225 10.061
181 HB3 ALA 23 HB3 ALA 23 23.620 0.662 9.188
182 H GLU 24 HN GLU 24 20.950 3.548 9.692
183 HA GLU 24 HA GLU 24 22.676 5.098 8.075
184 HB2 GLU 24 HB2 GLU 24 20.285 5.121 7.648
185 HB3 GLU 24 HB1 GLU 24 19.943 5.781 9.236
186 HG2 GLU 24 HG2 GLU 24 21.223 7.816 8.551
187 HG3 GLU 24 HG1 GLU 24 21.280 7.138 6.922
188 H LEU 25 HN LEU 25 21.218 5.844 11.219
189 HA LEU 25 HA LEU 25 22.734 8.133 11.783
190 HB2 LEU 25 HB2 LEU 25 21.244 6.170 13.459
191 HB3 LEU 25 HB1 LEU 25 22.360 7.242 14.274
192 HG LEU 25 HG LEU 25 21.118 9.188 13.357
193 HD11 LEU 25 HD11 LEU 25 18.894 8.851 12.405
194 HD12 LEU 25 HD12 LEU 25 19.175 7.115 12.355
195 HD13 LEU 25 HD13 LEU 25 20.159 8.201 11.367
196 HD21 LEU 25 HD21 LEU 25 19.468 7.219 14.931
197 HD22 LEU 25 HD22 LEU 25 19.163 8.952 14.811
198 HD23 LEU 25 HD23 LEU 25 20.635 8.367 15.588
199 H GLU 26 HN GLU 26 23.339 4.795 12.448
200 HA GLU 26 HA GLU 26 25.695 4.933 13.937
201 HB2 GLU 26 HB2 GLU 26 24.457 2.842 13.490
202 HB3 GLU 26 HB1 GLU 26 25.065 2.855 11.842
203 HG2 GLU 26 HG2 GLU 26 27.365 2.723 12.735
204 HG3 GLU 26 HG1 GLU 26 26.687 2.583 14.358
205 H ARG 27 HN ARG 27 25.416 4.744 10.375
206 HA ARG 27 HA ARG 27 28.238 5.091 10.017
207 HB2 ARG 27 HB2 ARG 27 27.759 5.224 7.618
208 HB3 ARG 27 HB1 ARG 27 26.946 3.853 8.349
209 HG2 ARG 27 HG2 ARG 27 24.851 5.122 8.373
210 HG3 ARG 27 HG1 ARG 27 25.679 6.481 7.610
211 HD2 ARG 27 HD2 ARG 27 24.466 5.177 5.954
212 HD3 ARG 27 HD1 ARG 27 26.203 5.069 5.680
213 HE ARG 27 HE ARG 27 25.333 2.915 7.291
214 HH11 ARG 27 HH11 ARG 27 25.228 4.062 3.972
215 HH12 ARG 27 HH12 ARG 27 25.117 2.475 3.295
216 HH21 ARG 27 HH21 ARG 27 25.176 0.804 6.382
217 HH22 ARG 27 HH22 ARG 27 25.081 0.617 4.667
218 H LEU 28 HN LEU 28 25.472 7.205 10.116
219 HA LEU 28 HA LEU 28 26.665 9.495 8.980
220 HB2 LEU 28 HB2 LEU 28 24.223 9.303 9.383
221 HB3 LEU 28 HB1 LEU 28 24.514 9.405 11.111
222 HG LEU 28 HG LEU 28 25.394 11.693 10.805
223 HD11 LEU 28 HD11 LEU 28 24.532 11.308 7.942
224 HD12 LEU 28 HD12 LEU 28 26.184 11.524 8.520
225 HD13 LEU 28 HD13 LEU 28 25.019 12.839 8.668
226 HD21 LEU 28 HD21 LEU 28 23.234 12.747 10.346
227 HD22 LEU 28 HD22 LEU 28 23.052 11.338 11.391
228 HD23 LEU 28 HD23 LEU 28 22.632 11.228 9.682
229 H LYS 29 HN LYS 29 26.476 8.383 12.350
230 HA LYS 29 HA LYS 29 27.836 10.516 13.541
231 HB2 LYS 29 HB2 LYS 29 27.804 7.589 14.304
232 HB3 LYS 29 HB1 LYS 29 28.522 8.847 15.294
233 HG2 LYS 29 HG2 LYS 29 26.332 9.937 15.480
234 HG3 LYS 29 HG1 LYS 29 25.622 8.632 14.521
235 HD2 LYS 29 HD2 LYS 29 26.256 7.009 16.203
236 HD3 LYS 29 HD1 LYS 29 27.076 8.260 17.138
237 HE2 LYS 29 HE2 LYS 29 24.938 9.409 17.460
238 HE3 LYS 29 HE1 LYS 29 24.124 8.150 16.533
239 HZ1 LYS 29 HZ1 LYS 29 23.910 7.785 18.913
240 HZ2 LYS 29 HZ2 LYS 29 25.588 7.735 19.085
241 HZ3 LYS 29 HZ3 LYS 29 24.793 6.538 18.196
242 H SER 30 HN SER 30 29.079 7.564 12.027
243 HA SER 30 HA SER 30 31.772 7.923 12.613
244 HB2 SER 30 HB2 SER 30 30.566 6.640 10.148
245 HB3 SER 30 HB1 SER 30 32.181 6.353 10.793
246 HG SER 30 HG SER 30 29.677 5.600 11.888
247 H GLU 31 HN GLU 31 29.795 9.109 9.922
248 HA GLU 31 HA GLU 31 31.890 10.308 8.455
249 HB2 GLU 31 HB2 GLU 31 29.625 9.758 7.549
250 HB3 GLU 31 HB1 GLU 31 28.948 11.049 8.522
251 HG2 GLU 31 HG2 GLU 31 31.077 11.586 6.469
252 HG3 GLU 31 HG1 GLU 31 29.374 11.481 6.030
253 H ARG 32 HN ARG 32 29.475 11.707 10.673
254 HA ARG 32 HA ARG 32 30.370 14.316 10.703
255 HB2 ARG 32 HB2 ARG 32 29.291 12.836 13.111
256 HB3 ARG 32 HB1 ARG 32 29.294 14.574 12.874
257 HG2 ARG 32 HG2 ARG 32 27.633 12.503 11.463
258 HG3 ARG 32 HG1 ARG 32 27.088 13.850 12.461
259 HD2 ARG 32 HD2 ARG 32 28.329 13.976 9.719
260 HD3 ARG 32 HD1 ARG 32 26.673 14.380 10.160
261 HE ARG 32 HE ARG 32 27.737 16.219 11.530
262 HH11 ARG 32 HH11 ARG 32 29.161 14.946 8.574
263 HH12 ARG 32 HH12 ARG 32 30.035 16.391 8.218
264 HH21 ARG 32 HH21 ARG 32 28.891 18.148 11.058
265 HH22 ARG 32 HH22 ARG 32 29.865 18.236 9.639
266 H HIS 33 HN HIS 33 31.441 11.665 12.825
267 HA HIS 33 HA HIS 33 33.285 13.275 14.273
268 HB2 HIS 33 HB2 HIS 33 33.016 10.288 14.002
269 HB3 HIS 33 HB1 HIS 33 34.244 11.045 15.009
270 HD1 HIS 33 HD1 HIS 33 31.128 9.523 15.379
271 HD2 HIS 33 HD2 HIS 33 32.746 13.064 16.818
272 HE1 HIS 33 HE1 HIS 33 29.740 10.124 17.374
273 H ASP 34 HN ASP 34 33.560 11.418 11.333
274 HA ASP 34 HA ASP 34 36.438 11.470 11.313
275 HB2 ASP 34 HB2 ASP 34 35.212 9.684 10.125
276 HB3 ASP 34 HB1 ASP 34 34.543 10.884 9.021
277 H HIS 35 HN HIS 35 33.968 13.586 10.372
278 HA HIS 35 HA HIS 35 35.806 15.120 8.695
279 HB2 HIS 35 HB2 HIS 35 32.819 15.201 8.942
280 HB3 HIS 35 HB1 HIS 35 33.701 16.585 8.300
281 HD2 HIS 35 HD2 HIS 35 33.410 12.740 7.419
282 HE1 HIS 35 HE1 HIS 35 34.346 14.949 3.929
283 HE2 HIS 35 HE2 HIS 35 33.591 12.740 4.847
284 H ASP 36 HN ASP 36 34.185 15.187 11.726
285 HA ASP 36 HA ASP 36 34.551 17.874 12.447
286 HB2 ASP 36 HB2 ASP 36 33.219 16.346 13.844
287 HB3 ASP 36 HB1 ASP 36 34.665 15.424 14.244
288 H LYS 37 HN LYS 37 36.776 15.254 12.182
289 HA LYS 37 HA LYS 37 38.972 16.130 13.651
290 HB2 LYS 37 HB2 LYS 37 38.970 14.764 10.954
291 HB3 LYS 37 HB1 LYS 37 40.332 14.846 12.056
292 HG2 LYS 37 HG2 LYS 37 39.230 13.435 13.634
293 HG3 LYS 37 HG1 LYS 37 37.721 13.503 12.714
294 HD2 LYS 37 HD2 LYS 37 38.812 12.389 10.835
295 HD3 LYS 37 HD1 LYS 37 40.324 12.338 11.738
296 HE2 LYS 37 HE2 LYS 37 39.377 10.858 13.354
297 HE3 LYS 37 HE1 LYS 37 37.771 11.024 12.651
298 HZ1 LYS 37 HZ1 LYS 37 40.128 9.826 11.296
299 HZ2 LYS 37 HZ2 LYS 37 38.573 9.955 10.639
300 HZ3 LYS 37 HZ3 LYS 37 38.846 8.958 11.976
301 H LYS 38 HN LYS 38 37.792 17.093 10.486
302 HA LYS 38 HA LYS 38 40.039 18.949 10.185
303 HB2 LYS 38 HB2 LYS 38 37.951 18.185 8.116
304 HB3 LYS 38 HB1 LYS 38 39.385 19.158 7.850
305 HG2 LYS 38 HG2 LYS 38 40.792 17.228 8.310
306 HG3 LYS 38 HG1 LYS 38 39.356 16.249 8.624
307 HD2 LYS 38 HD2 LYS 38 38.587 16.678 6.322
308 HD3 LYS 38 HD1 LYS 38 40.060 17.598 6.016
309 HE2 LYS 38 HE2 LYS 38 40.305 15.374 5.125
310 HE3 LYS 38 HE1 LYS 38 41.382 15.566 6.506
311 HZ1 LYS 38 HZ1 LYS 38 40.217 13.438 6.499
312 HZ2 LYS 38 HZ2 LYS 38 38.731 14.234 6.589
313 HZ3 LYS 38 HZ3 LYS 38 39.830 14.349 7.864
314 H GLU 39 HN GLU 39 36.479 18.897 9.778
315 HA GLU 39 HA GLU 39 35.861 21.202 11.155
316 HB2 GLU 39 HB2 GLU 39 37.282 22.350 9.453
317 HB3 GLU 39 HB1 GLU 39 36.241 21.722 8.188
318 HG2 GLU 39 HG2 GLU 39 34.365 23.002 9.114
319 HG3 GLU 39 HG1 GLU 39 35.435 23.649 10.358
320 H ALA 40 HN ALA 40 33.607 21.666 10.953
321 HA ALA 40 HA ALA 40 32.115 19.461 9.874
322 HB1 ALA 40 HB1 ALA 40 30.146 20.508 10.865
323 HB2 ALA 40 HB2 ALA 40 31.053 21.983 11.182
324 HB3 ALA 40 HB3 ALA 40 31.468 20.490 12.029
325 H GLU 41 HN GLU 41 29.793 20.356 8.731
326 HA GLU 41 HA GLU 41 28.909 20.986 6.808
327 HB2 GLU 41 HB2 GLU 41 30.736 23.363 7.151
328 HB3 GLU 41 HB1 GLU 41 29.446 23.264 5.963
329 HG2 GLU 41 HG2 GLU 41 27.864 22.887 7.883
330 HG3 GLU 41 HG1 GLU 41 29.200 23.303 8.954
331 H ARG 42 HN ARG 42 29.637 19.294 5.631
332 HA ARG 42 HA ARG 42 31.635 19.855 3.698
333 HB2 ARG 42 HB2 ARG 42 31.672 17.494 5.580
334 HB3 ARG 42 HB1 ARG 42 32.496 17.479 4.030
335 HG2 ARG 42 HG2 ARG 42 33.059 19.339 6.339
336 HG3 ARG 42 HG1 ARG 42 34.055 17.979 5.811
337 HD2 ARG 42 HD2 ARG 42 34.247 19.134 3.583
338 HD3 ARG 42 HD1 ARG 42 33.487 20.539 4.326
339 HE ARG 42 HE ARG 42 36.165 19.504 4.830
340 HH11 ARG 42 HH11 ARG 42 33.675 21.833 5.715
341 HH12 ARG 42 HH12 ARG 42 34.804 22.963 6.390
342 HH21 ARG 42 HH21 ARG 42 37.646 21.013 5.707
343 HH22 ARG 42 HH22 ARG 42 37.062 22.495 6.376
344 H LYS 43 HN LYS 43 31.203 18.961 1.952
345 HA LYS 43 HA LYS 43 28.670 18.257 1.072
346 HB2 LYS 43 HB2 LYS 43 31.327 17.641 -0.210
347 HB3 LYS 43 HB1 LYS 43 29.780 17.399 -1.005
348 HG2 LYS 43 HG2 LYS 43 30.819 20.039 0.004
349 HG3 LYS 43 HG1 LYS 43 30.870 19.487 -1.671
350 HD2 LYS 43 HD2 LYS 43 28.392 19.308 -1.630
351 HD3 LYS 43 HD1 LYS 43 28.405 19.998 -0.007
352 HE2 LYS 43 HE2 LYS 43 27.926 21.697 -1.700
353 HE3 LYS 43 HE1 LYS 43 29.439 22.028 -0.860
354 HZ1 LYS 43 HZ1 LYS 43 29.243 20.701 -3.507
355 HZ2 LYS 43 HZ2 LYS 43 30.662 21.174 -2.725
356 HZ3 LYS 43 HZ3 LYS 43 29.578 22.340 -3.287
357 H ALA 44 HN ALA 44 30.748 16.290 2.826
358 HA ALA 44 HA ALA 44 30.117 13.741 1.704
359 HB1 ALA 44 HB1 ALA 44 30.992 14.366 4.532
360 HB2 ALA 44 HB2 ALA 44 32.073 14.044 3.172
361 HB3 ALA 44 HB3 ALA 44 30.993 12.784 3.762
362 H LEU 45 HN LEU 45 28.466 15.950 3.691
363 HA LEU 45 HA LEU 45 26.632 14.290 5.010
364 HB2 LEU 45 HB2 LEU 45 26.901 16.700 5.473
365 HB3 LEU 45 HB1 LEU 45 26.190 17.075 3.916
366 HG LEU 45 HG LEU 45 24.067 16.034 4.679
367 HD11 LEU 45 HD11 LEU 45 25.493 15.860 7.328
368 HD12 LEU 45 HD12 LEU 45 24.940 14.505 6.342
369 HD13 LEU 45 HD13 LEU 45 23.767 15.599 7.075
370 HD21 LEU 45 HD21 LEU 45 23.430 17.855 6.184
371 HD22 LEU 45 HD22 LEU 45 24.397 18.441 4.830
372 HD23 LEU 45 HD23 LEU 45 25.132 18.252 6.423
373 H GLU 46 HN GLU 46 26.854 15.286 1.669
374 HA GLU 46 HA GLU 46 24.198 14.447 0.959
375 HB2 GLU 46 HB2 GLU 46 25.416 16.195 -0.323
376 HB3 GLU 46 HB1 GLU 46 26.604 14.993 -0.806
377 HG2 GLU 46 HG2 GLU 46 24.844 13.756 -1.976
378 HG3 GLU 46 HG1 GLU 46 23.688 15.011 -1.526
379 H ASP 47 HN ASP 47 27.198 12.955 1.470
380 HA ASP 47 HA ASP 47 26.752 10.690 -0.269
381 HB2 ASP 47 HB2 ASP 47 28.874 11.218 1.827
382 HB3 ASP 47 HB1 ASP 47 28.764 9.715 0.921
383 H LYS 48 HN LYS 48 25.504 11.679 2.563
384 HA LYS 48 HA LYS 48 25.262 9.441 4.181
385 HB2 LYS 48 HB2 LYS 48 24.425 11.656 4.853
386 HB3 LYS 48 HB1 LYS 48 23.175 11.573 3.619
387 HG2 LYS 48 HG2 LYS 48 22.225 9.611 4.808
388 HG3 LYS 48 HG1 LYS 48 23.417 9.870 6.085
389 HD2 LYS 48 HD2 LYS 48 22.532 12.111 6.470
390 HD3 LYS 48 HD1 LYS 48 21.359 11.878 5.174
391 HE2 LYS 48 HE2 LYS 48 20.407 9.974 6.436
392 HE3 LYS 48 HE1 LYS 48 21.531 10.321 7.748
393 HZ1 LYS 48 HZ1 LYS 48 19.365 11.281 8.172
394 HZ2 LYS 48 HZ2 LYS 48 19.432 12.161 6.735
395 HZ3 LYS 48 HZ3 LYS 48 20.512 12.506 7.981
396 H LEU 49 HN LEU 49 23.467 10.316 1.256
397 HA LEU 49 HA LEU 49 22.519 7.561 1.110
398 HB2 LEU 49 HB2 LEU 49 20.772 9.089 2.107
399 HB3 LEU 49 HB1 LEU 49 20.742 9.936 0.575
400 HG LEU 49 HG LEU 49 19.965 7.890 -0.543
401 HD11 LEU 49 HD11 LEU 49 19.243 5.974 0.805
402 HD12 LEU 49 HD12 LEU 49 19.938 6.726 2.240
403 HD13 LEU 49 HD13 LEU 49 20.983 6.228 0.909
404 HD21 LEU 49 HD21 LEU 49 18.361 9.505 0.296
405 HD22 LEU 49 HD22 LEU 49 18.340 8.693 1.860
406 HD23 LEU 49 HD23 LEU 49 17.722 7.866 0.428
407 H ALA 50 HN ALA 50 24.497 9.457 -0.228
408 HA ALA 50 HA ALA 50 23.623 9.858 -2.910
409 HB1 ALA 50 HB1 ALA 50 25.925 10.374 -3.435
410 HB2 ALA 50 HB2 ALA 50 26.463 9.653 -1.921
411 HB3 ALA 50 HB3 ALA 50 25.487 11.125 -1.902
412 H ASP 51 HN ASP 51 24.851 8.849 -4.814
413 HA ASP 51 HA ASP 51 25.205 5.969 -4.360
414 HB2 ASP 51 HB2 ASP 51 23.028 6.559 -5.510
415 HB3 ASP 51 HB1 ASP 51 23.980 7.226 -6.832
416 H TYR 52 HN TYR 52 26.881 5.022 -5.449
417 HA TYR 52 HA TYR 52 28.820 4.779 -6.602
418 HB2 TYR 52 HB2 TYR 52 28.080 7.440 -7.823
419 HB3 TYR 52 HB1 TYR 52 29.615 6.657 -8.159
420 HD1 TYR 52 HD1 TYR 52 26.559 7.239 -9.512
421 HD2 TYR 52 HD2 TYR 52 29.152 3.969 -8.702
422 HE1 TYR 52 HE1 TYR 52 25.497 5.957 -11.319
423 HE2 TYR 52 HE2 TYR 52 28.096 2.678 -10.507
424 HH TYR 52 HH TYR 52 26.109 4.074 -12.824
Start of MODEL 8
1 H1 GLY 1 HT1 GLY 1 0.293 -5.767 -9.981
2 H2 GLY 1 HT2 GLY 1 0.456 -7.202 -9.104
3 H3 GLY 1 HT3 GLY 1 1.788 -6.181 -9.306
4 HA2 GLY 1 HA1 GLY 1 0.682 -4.456 -8.021
5 HA3 GLY 1 HA2 GLY 1 -0.669 -5.551 -7.773
6 H SER 2 HN SER 2 -0.301 -5.311 -5.506
7 HA SER 2 HA SER 2 2.171 -6.336 -4.409
8 HB2 SER 2 HB2 SER 2 -0.355 -5.297 -3.114
9 HB3 SER 2 HB1 SER 2 1.068 -5.823 -2.215
10 HG SER 2 HG SER 2 1.157 -3.832 -4.233
11 H VAL 3 HN VAL 3 1.173 -7.638 -2.087
12 HA VAL 3 HA VAL 3 -0.410 -9.869 -2.982
13 HB VAL 3 HB VAL 3 1.320 -11.540 -2.121
14 HG11 VAL 3 HG11 VAL 3 1.976 -10.041 -4.648
15 HG12 VAL 3 HG12 VAL 3 0.810 -11.354 -4.485
16 HG13 VAL 3 HG13 VAL 3 2.529 -11.665 -4.245
17 HG21 VAL 3 HG21 VAL 3 2.809 -9.967 -1.002
18 HG22 VAL 3 HG22 VAL 3 3.194 -9.215 -2.551
19 HG23 VAL 3 HG23 VAL 3 3.677 -10.881 -2.237
20 H GLU 4 HN GLU 4 1.514 -8.333 -0.454
21 HA GLU 4 HA GLU 4 -0.436 -9.214 1.519
22 HB2 GLU 4 HB2 GLU 4 2.580 -9.460 1.819
23 HB3 GLU 4 HB1 GLU 4 1.424 -9.655 3.143
24 HG2 GLU 4 HG2 GLU 4 1.435 -11.347 0.665
25 HG3 GLU 4 HG1 GLU 4 2.344 -11.740 2.121
26 H LYS 5 HN LYS 5 2.266 -7.669 2.874
27 HA LYS 5 HA LYS 5 2.526 -5.651 3.897
28 HB2 LYS 5 HB2 LYS 5 1.312 -4.773 1.290
29 HB3 LYS 5 HB1 LYS 5 1.690 -3.607 2.547
30 HG2 LYS 5 HG2 LYS 5 4.050 -4.612 2.489
31 HG3 LYS 5 HG1 LYS 5 3.554 -5.319 0.950
32 HD2 LYS 5 HD2 LYS 5 3.455 -2.378 1.630
33 HD3 LYS 5 HD1 LYS 5 4.714 -3.157 0.673
34 HE2 LYS 5 HE2 LYS 5 1.792 -3.198 -0.050
35 HE3 LYS 5 HE1 LYS 5 2.929 -1.994 -0.649
36 HZ1 LYS 5 HZ1 LYS 5 2.554 -3.879 -2.176
37 HZ2 LYS 5 HZ2 LYS 5 3.260 -4.915 -1.034
38 HZ3 LYS 5 HZ3 LYS 5 4.174 -3.683 -1.733
39 H LEU 6 HN LEU 6 0.049 -7.211 4.147
40 HA LEU 6 HA LEU 6 -1.666 -5.135 5.338
41 HB2 LEU 6 HB2 LEU 6 -2.628 -7.573 3.836
42 HB3 LEU 6 HB1 LEU 6 -3.656 -6.445 4.695
43 HG LEU 6 HG LEU 6 -1.996 -5.803 2.255
44 HD11 LEU 6 HD11 LEU 6 -4.152 -5.599 1.124
45 HD12 LEU 6 HD12 LEU 6 -4.971 -6.127 2.594
46 HD13 LEU 6 HD13 LEU 6 -3.893 -7.231 1.740
47 HD21 LEU 6 HD21 LEU 6 -2.192 -3.868 3.703
48 HD22 LEU 6 HD22 LEU 6 -3.935 -4.109 3.827
49 HD23 LEU 6 HD23 LEU 6 -3.213 -3.663 2.280
50 H THR 7 HN THR 7 0.014 -8.102 5.657
51 HA THR 7 HA THR 7 -1.463 -8.701 7.989
52 HB THR 7 HB THR 7 -0.765 -11.007 7.723
53 HG1 THR 7 HG1 THR 7 1.051 -9.956 5.763
54 HG21 THR 7 HG21 THR 7 -2.542 -10.364 6.177
55 HG22 THR 7 HG22 THR 7 -1.493 -11.592 5.467
56 HG23 THR 7 HG23 THR 7 -1.335 -9.907 4.974
57 H ALA 8 HN ALA 8 0.443 -10.107 9.248
58 HA ALA 8 HA ALA 8 1.925 -8.102 10.566
59 HB1 ALA 8 HB1 ALA 8 1.295 -10.203 11.699
60 HB2 ALA 8 HB2 ALA 8 3.023 -9.887 11.804
61 HB3 ALA 8 HB3 ALA 8 2.422 -11.087 10.665
62 H ASP 9 HN ASP 9 2.440 -9.706 7.694
63 HA ASP 9 HA ASP 9 5.253 -9.791 7.528
64 HB2 ASP 9 HB2 ASP 9 5.006 -10.035 5.188
65 HB3 ASP 9 HB1 ASP 9 3.552 -10.772 5.834
66 H ALA 10 HN ALA 10 2.851 -7.245 7.084
67 HA ALA 10 HA ALA 10 4.578 -5.266 6.043
68 HB1 ALA 10 HB1 ALA 10 2.126 -5.010 6.062
69 HB2 ALA 10 HB2 ALA 10 2.936 -3.625 6.786
70 HB3 ALA 10 HB3 ALA 10 2.166 -4.825 7.819
71 H GLU 11 HN GLU 11 4.124 -6.400 9.303
72 HA GLU 11 HA GLU 11 5.411 -4.210 10.620
73 HB2 GLU 11 HB2 GLU 11 3.871 -5.818 11.781
74 HB3 GLU 11 HB1 GLU 11 5.092 -7.071 11.598
75 HG2 GLU 11 HG2 GLU 11 5.170 -6.197 13.818
76 HG3 GLU 11 HG1 GLU 11 6.631 -5.709 12.957
77 H LEU 12 HN LEU 12 6.393 -7.367 9.475
78 HA LEU 12 HA LEU 12 9.055 -7.420 10.351
79 HB2 LEU 12 HB2 LEU 12 7.689 -8.677 7.965
80 HB3 LEU 12 HB1 LEU 12 9.402 -8.859 8.225
81 HG LEU 12 HG LEU 12 9.115 -10.217 10.120
82 HD11 LEU 12 HD11 LEU 12 6.999 -10.551 11.287
83 HD12 LEU 12 HD12 LEU 12 6.219 -9.385 10.218
84 HD13 LEU 12 HD13 LEU 12 7.486 -8.856 11.324
85 HD21 LEU 12 HD21 LEU 12 8.535 -11.348 8.049
86 HD22 LEU 12 HD22 LEU 12 6.852 -10.849 8.239
87 HD23 LEU 12 HD23 LEU 12 7.575 -11.972 9.393
88 H GLN 13 HN GLN 13 7.622 -6.096 7.427
89 HA GLN 13 HA GLN 13 9.983 -5.330 6.124
90 HB2 GLN 13 HB2 GLN 13 7.226 -4.107 5.956
91 HB3 GLN 13 HB1 GLN 13 8.541 -3.787 4.838
92 HG2 GLN 13 HG2 GLN 13 8.555 -6.116 4.155
93 HG3 GLN 13 HG1 GLN 13 7.270 -6.469 5.309
94 HE21 GLN 13 HE21 GLN 13 5.891 -7.170 3.717
95 HE22 GLN 13 HE22 GLN 13 5.131 -6.099 2.595
96 H ARG 14 HN ARG 14 7.863 -3.519 8.322
97 HA ARG 14 HA ARG 14 9.296 -1.077 8.119
98 HB2 ARG 14 HB2 ARG 14 6.988 -1.138 8.991
99 HB3 ARG 14 HB1 ARG 14 7.548 -2.014 10.414
100 HG2 ARG 14 HG2 ARG 14 8.979 -0.075 10.985
101 HG3 ARG 14 HG1 ARG 14 8.281 0.797 9.621
102 HD2 ARG 14 HD2 ARG 14 7.174 1.430 11.683
103 HD3 ARG 14 HD1 ARG 14 6.057 0.564 10.631
104 HE ARG 14 HE ARG 14 6.525 -1.431 12.057
105 HH11 ARG 14 HH11 ARG 14 7.000 1.797 13.376
106 HH12 ARG 14 HH12 ARG 14 6.742 1.294 15.007
107 HH21 ARG 14 HH21 ARG 14 6.186 -2.075 14.173
108 HH22 ARG 14 HH22 ARG 14 6.286 -0.930 15.480
109 H LEU 15 HN LEU 15 9.531 -3.768 10.342
110 HA LEU 15 HA LEU 15 11.345 -2.606 12.171
111 HB2 LEU 15 HB2 LEU 15 11.070 -5.521 11.439
112 HB3 LEU 15 HB1 LEU 15 11.927 -4.907 12.837
113 HG LEU 15 HG LEU 15 8.963 -4.761 12.334
114 HD11 LEU 15 HD11 LEU 15 10.571 -6.261 14.382
115 HD12 LEU 15 HD12 LEU 15 9.736 -6.954 12.993
116 HD13 LEU 15 HD13 LEU 15 8.811 -6.201 14.292
117 HD21 LEU 15 HD21 LEU 15 10.577 -3.685 14.647
118 HD22 LEU 15 HD22 LEU 15 8.819 -3.772 14.585
119 HD23 LEU 15 HD23 LEU 15 9.687 -2.731 13.460
120 H LYS 16 HN LYS 16 11.875 -4.507 9.308
121 HA LYS 16 HA LYS 16 14.749 -4.454 9.558
122 HB2 LYS 16 HB2 LYS 16 13.632 -6.264 8.291
123 HB3 LYS 16 HB1 LYS 16 13.126 -5.090 7.083
124 HG2 LYS 16 HG2 LYS 16 15.403 -4.678 6.443
125 HG3 LYS 16 HG1 LYS 16 15.999 -5.674 7.768
126 HD2 LYS 16 HD2 LYS 16 16.177 -7.055 5.883
127 HD3 LYS 16 HD1 LYS 16 14.698 -7.593 6.669
128 HE2 LYS 16 HE2 LYS 16 14.794 -5.647 4.360
129 HE3 LYS 16 HE1 LYS 16 14.539 -7.380 4.184
130 HZ1 LYS 16 HZ1 LYS 16 12.763 -5.422 5.521
131 HZ2 LYS 16 HZ2 LYS 16 12.553 -7.098 5.640
132 HZ3 LYS 16 HZ3 LYS 16 12.441 -6.338 4.140
133 H ASN 17 HN ASN 17 12.388 -2.586 7.785
134 HA ASN 17 HA ASN 17 14.243 -1.020 6.295
135 HB2 ASN 17 HB2 ASN 17 11.849 -1.134 5.665
136 HB3 ASN 17 HB1 ASN 17 11.422 -0.268 7.140
137 HD21 ASN 17 HD21 ASN 17 12.918 -0.039 4.008
138 HD22 ASN 17 HD22 ASN 17 12.892 1.686 3.913
139 H GLU 18 HN GLU 18 12.814 -0.706 9.468
140 HA GLU 18 HA GLU 18 13.648 1.872 10.140
141 HB2 GLU 18 HB2 GLU 18 12.076 0.392 11.434
142 HB3 GLU 18 HB1 GLU 18 13.470 -0.522 11.982
143 HG2 GLU 18 HG2 GLU 18 12.801 0.997 13.701
144 HG3 GLU 18 HG1 GLU 18 14.345 1.530 13.042
145 H ARG 19 HN ARG 19 15.333 -1.216 10.169
146 HA ARG 19 HA ARG 19 17.622 -0.308 11.582
147 HB2 ARG 19 HB2 ARG 19 17.450 -2.623 9.646
148 HB3 ARG 19 HB1 ARG 19 18.693 -2.370 10.863
149 HG2 ARG 19 HG2 ARG 19 15.789 -3.011 11.317
150 HG3 ARG 19 HG1 ARG 19 17.189 -4.018 11.688
151 HD2 ARG 19 HD2 ARG 19 17.899 -2.503 13.410
152 HD3 ARG 19 HD1 ARG 19 16.666 -1.331 12.949
153 HE ARG 19 HE ARG 19 15.813 -3.972 13.863
154 HH11 ARG 19 HH11 ARG 19 16.095 -0.522 14.479
155 HH12 ARG 19 HH12 ARG 19 14.957 -0.538 15.776
156 HH21 ARG 19 HH21 ARG 19 14.297 -3.973 15.585
157 HH22 ARG 19 HH22 ARG 19 13.928 -2.498 16.406
158 H HIS 20 HN HIS 20 16.702 -0.241 8.225
159 HA HIS 20 HA HIS 20 19.185 0.438 7.092
160 HB2 HIS 20 HB2 HIS 20 16.384 1.258 6.274
161 HB3 HIS 20 HB1 HIS 20 17.811 1.692 5.347
162 HD1 HIS 20 HD1 HIS 20 17.655 0.288 3.308
163 HD2 HIS 20 HD2 HIS 20 16.899 -1.902 6.759
164 HE1 HIS 20 HE1 HIS 20 17.378 -2.085 2.548
165 H GLU 21 HN GLU 21 16.683 2.472 8.529
166 HA GLU 21 HA GLU 21 18.041 4.959 8.204
167 HB2 GLU 21 HB2 GLU 21 15.611 4.847 8.663
168 HB3 GLU 21 HB1 GLU 21 15.939 4.186 10.260
169 HG2 GLU 21 HG2 GLU 21 17.140 6.302 10.802
170 HG3 GLU 21 HG1 GLU 21 16.594 6.943 9.253
171 H GLU 22 HN GLU 22 18.151 2.433 10.574
172 HA GLU 22 HA GLU 22 19.465 3.834 12.655
173 HB2 GLU 22 HB2 GLU 22 18.340 1.688 13.071
174 HB3 GLU 22 HB1 GLU 22 19.481 0.862 12.023
175 HG2 GLU 22 HG2 GLU 22 20.011 0.465 14.333
176 HG3 GLU 22 HG1 GLU 22 21.288 1.411 13.571
177 H ALA 23 HN ALA 23 20.730 1.707 10.049
178 HA ALA 23 HA ALA 23 23.437 2.006 10.705
179 HB1 ALA 23 HB1 ALA 23 23.912 1.178 8.461
180 HB2 ALA 23 HB2 ALA 23 22.241 1.444 7.981
181 HB3 ALA 23 HB3 ALA 23 22.629 0.233 9.208
182 H GLU 24 HN GLU 24 21.264 4.132 9.135
183 HA GLU 24 HA GLU 24 23.230 5.686 7.738
184 HB2 GLU 24 HB2 GLU 24 20.389 6.376 8.546
185 HB3 GLU 24 HB1 GLU 24 21.430 7.443 7.620
186 HG2 GLU 24 HG2 GLU 24 20.550 4.695 6.784
187 HG3 GLU 24 HG1 GLU 24 19.881 6.218 6.203
188 H LEU 25 HN LEU 25 21.413 6.226 10.747
189 HA LEU 25 HA LEU 25 22.865 8.506 11.552
190 HB2 LEU 25 HB2 LEU 25 21.380 6.490 13.235
191 HB3 LEU 25 HB1 LEU 25 21.919 8.063 13.787
192 HG LEU 25 HG LEU 25 19.863 7.567 11.635
193 HD11 LEU 25 HD11 LEU 25 19.570 8.571 14.456
194 HD12 LEU 25 HD12 LEU 25 19.056 6.998 13.851
195 HD13 LEU 25 HD13 LEU 25 18.281 8.467 13.257
196 HD21 LEU 25 HD21 LEU 25 20.851 10.138 12.869
197 HD22 LEU 25 HD22 LEU 25 19.480 9.994 11.770
198 HD23 LEU 25 HD23 LEU 25 21.105 9.610 11.205
199 H GLU 26 HN GLU 26 23.242 5.119 12.214
200 HA GLU 26 HA GLU 26 25.412 5.231 13.975
201 HB2 GLU 26 HB2 GLU 26 24.217 3.141 13.433
202 HB3 GLU 26 HB1 GLU 26 24.986 3.132 11.851
203 HG2 GLU 26 HG2 GLU 26 27.170 2.943 12.900
204 HG3 GLU 26 HG1 GLU 26 26.414 2.979 14.491
205 H ARG 27 HN ARG 27 25.461 5.133 10.420
206 HA ARG 27 HA ARG 27 28.288 5.262 10.181
207 HB2 ARG 27 HB2 ARG 27 26.804 4.577 8.298
208 HB3 ARG 27 HB1 ARG 27 26.233 6.238 8.172
209 HG2 ARG 27 HG2 ARG 27 28.488 6.973 7.609
210 HG3 ARG 27 HG1 ARG 27 29.065 5.314 7.749
211 HD2 ARG 27 HD2 ARG 27 28.715 5.798 5.433
212 HD3 ARG 27 HD1 ARG 27 27.467 4.675 5.954
213 HE ARG 27 HE ARG 27 27.097 7.543 5.425
214 HH11 ARG 27 HH11 ARG 27 25.738 4.324 5.871
215 HH12 ARG 27 HH12 ARG 27 24.142 4.800 5.378
216 HH21 ARG 27 HH21 ARG 27 24.987 8.147 4.728
217 HH22 ARG 27 HH22 ARG 27 23.716 6.966 4.731
218 H LEU 28 HN LEU 28 25.872 7.610 10.792
219 HA LEU 28 HA LEU 28 27.365 9.939 10.069
220 HB2 LEU 28 HB2 LEU 28 24.902 9.991 10.327
221 HB3 LEU 28 HB1 LEU 28 25.073 9.657 12.040
222 HG LEU 28 HG LEU 28 26.259 11.829 12.291
223 HD11 LEU 28 HD11 LEU 28 25.406 12.224 9.430
224 HD12 LEU 28 HD12 LEU 28 27.064 12.088 10.019
225 HD13 LEU 28 HD13 LEU 28 26.071 13.467 10.489
226 HD21 LEU 28 HD21 LEU 28 23.886 11.620 12.798
227 HD22 LEU 28 HD22 LEU 28 23.485 11.948 11.112
228 HD23 LEU 28 HD23 LEU 28 24.240 13.200 12.100
229 H LYS 29 HN LYS 29 27.192 7.866 12.855
230 HA LYS 29 HA LYS 29 28.649 9.657 14.586
231 HB2 LYS 29 HB2 LYS 29 28.006 6.721 14.929
232 HB3 LYS 29 HB1 LYS 29 28.640 7.788 16.166
233 HG2 LYS 29 HG2 LYS 29 26.565 9.120 16.030
234 HG3 LYS 29 HG1 LYS 29 25.932 7.950 14.869
235 HD2 LYS 29 HD2 LYS 29 26.191 6.169 16.539
236 HD3 LYS 29 HD1 LYS 29 26.789 7.356 17.699
237 HE2 LYS 29 HE2 LYS 29 24.464 6.907 18.131
238 HE3 LYS 29 HE1 LYS 29 24.639 8.554 17.528
239 HZ1 LYS 29 HZ1 LYS 29 22.766 7.358 16.535
240 HZ2 LYS 29 HZ2 LYS 29 23.826 6.223 15.880
241 HZ3 LYS 29 HZ3 LYS 29 23.896 7.840 15.375
242 H SER 30 HN SER 30 29.352 7.272 12.204
243 HA SER 30 HA SER 30 31.948 6.603 13.260
244 HB2 SER 30 HB2 SER 30 30.770 5.958 10.546
245 HB3 SER 30 HB1 SER 30 32.130 5.158 11.333
246 HG SER 30 HG SER 30 29.860 5.166 12.865
247 H GLU 31 HN GLU 31 30.584 8.360 10.500
248 HA GLU 31 HA GLU 31 32.971 9.202 9.337
249 HB2 GLU 31 HB2 GLU 31 30.222 10.432 9.346
250 HB3 GLU 31 HB1 GLU 31 31.553 11.080 8.397
251 HG2 GLU 31 HG2 GLU 31 30.408 8.307 8.154
252 HG3 GLU 31 HG1 GLU 31 30.094 9.657 7.062
253 H ARG 32 HN ARG 32 30.948 10.832 11.762
254 HA ARG 32 HA ARG 32 32.550 13.167 11.868
255 HB2 ARG 32 HB2 ARG 32 30.528 12.049 13.802
256 HB3 ARG 32 HB1 ARG 32 31.316 13.608 14.008
257 HG2 ARG 32 HG2 ARG 32 30.389 14.358 11.879
258 HG3 ARG 32 HG1 ARG 32 29.587 12.801 11.681
259 HD2 ARG 32 HD2 ARG 32 28.283 13.204 13.688
260 HD3 ARG 32 HD1 ARG 32 29.125 14.733 13.945
261 HE ARG 32 HE ARG 32 27.927 14.665 11.379
262 HH11 ARG 32 HH11 ARG 32 27.170 15.062 14.770
263 HH12 ARG 32 HH12 ARG 32 25.766 16.030 14.485
264 HH21 ARG 32 HH21 ARG 32 26.061 15.933 10.976
265 HH22 ARG 32 HH22 ARG 32 25.122 16.518 12.303
266 H HIS 33 HN HIS 33 32.887 10.071 13.240
267 HA HIS 33 HA HIS 33 34.661 10.895 15.361
268 HB2 HIS 33 HB2 HIS 33 33.315 8.956 15.787
269 HB3 HIS 33 HB1 HIS 33 33.821 8.200 14.283
270 HD1 HIS 33 HD1 HIS 33 35.954 6.815 14.317
271 HD2 HIS 33 HD2 HIS 33 35.288 8.907 17.862
272 HE1 HIS 33 HE1 HIS 33 37.634 5.927 15.955
273 H ASP 34 HN ASP 34 34.929 9.278 12.230
274 HA ASP 34 HA ASP 34 37.805 9.131 12.542
275 HB2 ASP 34 HB2 ASP 34 35.939 7.833 10.595
276 HB3 ASP 34 HB1 ASP 34 37.671 7.895 10.288
277 H HIS 35 HN HIS 35 35.786 11.406 11.223
278 HA HIS 35 HA HIS 35 37.315 12.083 8.892
279 HB2 HIS 35 HB2 HIS 35 35.286 13.657 10.474
280 HB3 HIS 35 HB1 HIS 35 36.236 14.426 9.215
281 HD2 HIS 35 HD2 HIS 35 35.659 11.129 7.719
282 HE1 HIS 35 HE1 HIS 35 32.122 13.283 6.820
283 HE2 HIS 35 HE2 HIS 35 33.354 11.106 6.549
284 H ASP 36 HN ASP 36 37.660 12.833 12.251
285 HA ASP 36 HA ASP 36 39.585 14.929 11.864
286 HB2 ASP 36 HB2 ASP 36 38.907 13.323 14.346
287 HB3 ASP 36 HB1 ASP 36 39.985 14.710 14.313
288 H LYS 37 HN LYS 37 39.673 11.493 12.361
289 HA LYS 37 HA LYS 37 42.612 11.502 12.451
290 HB2 LYS 37 HB2 LYS 37 42.337 9.117 13.187
291 HB3 LYS 37 HB1 LYS 37 41.650 10.295 14.295
292 HG2 LYS 37 HG2 LYS 37 39.425 9.849 13.365
293 HG3 LYS 37 HG1 LYS 37 40.123 8.631 12.298
294 HD2 LYS 37 HD2 LYS 37 40.272 8.549 15.314
295 HD3 LYS 37 HD1 LYS 37 39.051 7.709 14.361
296 HE2 LYS 37 HE2 LYS 37 42.036 7.273 14.206
297 HE3 LYS 37 HE1 LYS 37 40.879 6.214 15.003
298 HZ1 LYS 37 HZ1 LYS 37 41.301 5.273 12.912
299 HZ2 LYS 37 HZ2 LYS 37 41.164 6.743 12.105
300 HZ3 LYS 37 HZ3 LYS 37 39.779 6.005 12.744
301 H LYS 38 HN LYS 38 41.101 11.978 10.060
302 HA LYS 38 HA LYS 38 41.159 9.536 8.521
303 HB2 LYS 38 HB2 LYS 38 39.411 11.261 8.140
304 HB3 LYS 38 HB1 LYS 38 40.652 12.365 7.564
305 HG2 LYS 38 HG2 LYS 38 41.141 10.876 5.722
306 HG3 LYS 38 HG1 LYS 38 39.933 9.730 6.307
307 HD2 LYS 38 HD2 LYS 38 38.181 11.378 5.968
308 HD3 LYS 38 HD1 LYS 38 39.376 12.572 5.458
309 HE2 LYS 38 HE2 LYS 38 38.788 9.962 4.067
310 HE3 LYS 38 HE1 LYS 38 38.231 11.549 3.545
311 HZ1 LYS 38 HZ1 LYS 38 40.545 12.213 3.269
312 HZ2 LYS 38 HZ2 LYS 38 40.175 10.872 2.312
313 HZ3 LYS 38 HZ3 LYS 38 41.060 10.671 3.731
314 H GLU 39 HN GLU 39 43.183 12.381 8.893
315 HA GLU 39 HA GLU 39 45.314 11.001 7.496
316 HB2 GLU 39 HB2 GLU 39 44.198 12.165 5.663
317 HB3 GLU 39 HB1 GLU 39 44.293 13.683 6.538
318 HG2 GLU 39 HG2 GLU 39 45.986 13.765 4.929
319 HG3 GLU 39 HG1 GLU 39 46.798 13.431 6.455
320 H ALA 40 HN ALA 40 44.892 14.428 8.157
321 HA ALA 40 HA ALA 40 46.241 14.757 10.554
322 HB1 ALA 40 HB1 ALA 40 48.132 14.906 8.191
323 HB2 ALA 40 HB2 ALA 40 48.183 13.697 9.473
324 HB3 ALA 40 HB3 ALA 40 48.517 15.389 9.842
325 H GLU 41 HN GLU 41 45.105 15.775 7.582
326 HA GLU 41 HA GLU 41 45.703 18.582 7.827
327 HB2 GLU 41 HB2 GLU 41 43.880 17.159 5.869
328 HB3 GLU 41 HB1 GLU 41 44.553 18.775 5.705
329 HG2 GLU 41 HG2 GLU 41 46.763 17.899 5.421
330 HG3 GLU 41 HG1 GLU 41 46.212 16.266 5.790
331 H ARG 42 HN ARG 42 44.544 18.016 10.032
332 HA ARG 42 HA ARG 42 41.784 18.742 9.821
333 HB2 ARG 42 HB2 ARG 42 42.112 16.333 10.407
334 HB3 ARG 42 HB1 ARG 42 43.016 16.845 11.824
335 HG2 ARG 42 HG2 ARG 42 40.814 16.305 12.514
336 HG3 ARG 42 HG1 ARG 42 40.993 18.056 12.593
337 HD2 ARG 42 HD2 ARG 42 39.816 18.314 10.493
338 HD3 ARG 42 HD1 ARG 42 39.713 16.562 10.307
339 HE ARG 42 HE ARG 42 38.552 17.251 12.754
340 HH11 ARG 42 HH11 ARG 42 37.911 17.627 9.311
341 HH12 ARG 42 HH12 ARG 42 36.198 17.734 9.528
342 HH21 ARG 42 HH21 ARG 42 36.302 17.380 13.014
343 HH22 ARG 42 HH22 ARG 42 35.279 17.585 11.631
344 H LYS 43 HN LYS 43 41.173 19.988 11.336
345 HA LYS 43 HA LYS 43 42.599 22.128 12.268
346 HB2 LYS 43 HB2 LYS 43 40.068 20.991 13.422
347 HB3 LYS 43 HB1 LYS 43 40.752 22.529 13.926
348 HG2 LYS 43 HG2 LYS 43 40.582 23.311 11.586
349 HG3 LYS 43 HG1 LYS 43 39.765 21.800 11.182
350 HD2 LYS 43 HD2 LYS 43 37.993 22.317 12.761
351 HD3 LYS 43 HD1 LYS 43 38.823 23.798 13.233
352 HE2 LYS 43 HE2 LYS 43 37.022 24.284 11.668
353 HE3 LYS 43 HE1 LYS 43 38.590 24.660 10.958
354 HZ1 LYS 43 HZ1 LYS 43 37.108 23.521 9.417
355 HZ2 LYS 43 HZ2 LYS 43 37.032 22.183 10.443
356 HZ3 LYS 43 HZ3 LYS 43 38.499 22.609 9.716
357 H ALA 44 HN ALA 44 42.444 19.038 13.806
358 HA ALA 44 HA ALA 44 43.127 19.845 16.449
359 HB1 ALA 44 HB1 ALA 44 43.806 17.534 16.828
360 HB2 ALA 44 HB2 ALA 44 43.771 17.209 15.099
361 HB3 ALA 44 HB3 ALA 44 42.275 17.578 15.961
362 H LEU 45 HN LEU 45 44.938 19.106 13.626
363 HA LEU 45 HA LEU 45 47.486 19.548 14.971
364 HB2 LEU 45 HB2 LEU 45 46.895 18.848 12.094
365 HB3 LEU 45 HB1 LEU 45 48.506 19.057 12.748
366 HG LEU 45 HG LEU 45 47.877 17.169 14.388
367 HD11 LEU 45 HD11 LEU 45 46.224 15.578 13.568
368 HD12 LEU 45 HD12 LEU 45 45.788 16.691 12.271
369 HD13 LEU 45 HD13 LEU 45 45.486 17.133 13.951
370 HD21 LEU 45 HD21 LEU 45 48.495 15.457 12.730
371 HD22 LEU 45 HD22 LEU 45 49.514 16.892 12.663
372 HD23 LEU 45 HD23 LEU 45 48.256 16.650 11.451
373 H GLU 46 HN GLU 46 45.600 20.972 12.343
374 HA GLU 46 HA GLU 46 47.243 23.127 11.723
375 HB2 GLU 46 HB2 GLU 46 44.227 23.062 11.673
376 HB3 GLU 46 HB1 GLU 46 45.234 24.236 10.847
377 HG2 GLU 46 HG2 GLU 46 46.230 22.359 9.547
378 HG3 GLU 46 HG1 GLU 46 45.040 21.289 10.290
379 H ASP 47 HN ASP 47 45.083 22.714 14.413
380 HA ASP 47 HA ASP 47 44.634 25.291 15.303
381 HB2 ASP 47 HB2 ASP 47 43.667 23.325 16.420
382 HB3 ASP 47 HB1 ASP 47 45.258 22.879 17.033
383 H LYS 48 HN LYS 48 47.490 23.305 15.864
384 HA LYS 48 HA LYS 48 48.809 25.608 17.086
385 HB2 LYS 48 HB2 LYS 48 50.565 23.888 17.729
386 HB3 LYS 48 HB1 LYS 48 48.993 23.711 18.490
387 HG2 LYS 48 HG2 LYS 48 48.621 22.080 16.407
388 HG3 LYS 48 HG1 LYS 48 50.376 21.955 16.547
389 HD2 LYS 48 HD2 LYS 48 50.163 21.319 18.884
390 HD3 LYS 48 HD1 LYS 48 48.412 21.504 18.793
391 HE2 LYS 48 HE2 LYS 48 48.806 19.193 18.598
392 HE3 LYS 48 HE1 LYS 48 48.469 19.748 16.960
393 HZ1 LYS 48 HZ1 LYS 48 51.094 19.065 18.142
394 HZ2 LYS 48 HZ2 LYS 48 50.961 19.892 16.688
395 HZ3 LYS 48 HZ3 LYS 48 50.346 18.327 16.819
396 H LEU 49 HN LEU 49 49.319 23.141 14.616
397 HA LEU 49 HA LEU 49 50.164 23.229 12.531
398 HB2 LEU 49 HB2 LEU 49 49.366 25.548 12.409
399 HB3 LEU 49 HB1 LEU 49 50.865 26.089 13.133
400 HG LEU 49 HG LEU 49 52.097 25.259 11.177
401 HD11 LEU 49 HD11 LEU 49 49.343 24.656 10.095
402 HD12 LEU 49 HD12 LEU 49 50.592 23.472 10.484
403 HD13 LEU 49 HD13 LEU 49 50.841 24.616 9.166
404 HD21 LEU 49 HD21 LEU 49 51.250 26.966 9.635
405 HD22 LEU 49 HD22 LEU 49 51.386 27.536 11.305
406 HD23 LEU 49 HD23 LEU 49 49.809 27.103 10.648
407 H ALA 50 HN ALA 50 52.041 24.731 15.064
408 HA ALA 50 HA ALA 50 54.562 23.851 13.987
409 HB1 ALA 50 HB1 ALA 50 54.452 25.845 15.408
410 HB2 ALA 50 HB2 ALA 50 55.487 24.615 16.135
411 HB3 ALA 50 HB3 ALA 50 53.851 24.863 16.744
412 H ASP 51 HN ASP 51 55.667 21.984 14.528
413 HA ASP 51 HA ASP 51 55.671 19.734 14.757
414 HB2 ASP 51 HB2 ASP 51 54.925 20.658 17.535
415 HB3 ASP 51 HB1 ASP 51 55.385 19.000 17.162
416 H TYR 52 HN TYR 52 54.198 18.869 13.482
417 HA TYR 52 HA TYR 52 51.401 19.056 13.830
418 HB2 TYR 52 HB2 TYR 52 53.076 17.206 12.132
419 HB3 TYR 52 HB1 TYR 52 51.321 17.254 12.064
420 HD1 TYR 52 HD1 TYR 52 54.369 19.307 11.541
421 HD2 TYR 52 HD2 TYR 52 50.211 18.879 10.750
422 HE1 TYR 52 HE1 TYR 52 54.502 21.129 9.905
423 HE2 TYR 52 HE2 TYR 52 50.334 20.708 9.105
424 HH TYR 52 HH TYR 52 53.296 21.923 7.945
Start of MODEL 9
1 H1 GLY 1 HT1 GLY 1 -2.593 -22.976 13.535
2 H2 GLY 1 HT2 GLY 1 -2.039 -23.696 14.964
3 H3 GLY 1 HT3 GLY 1 -0.974 -23.429 13.679
4 HA2 GLY 1 HA1 GLY 1 -2.313 -21.325 15.256
5 HA3 GLY 1 HA2 GLY 1 -0.632 -21.816 15.421
6 H SER 2 HN SER 2 -2.054 -19.290 14.561
7 HA SER 2 HA SER 2 -0.203 -18.571 12.481
8 HB2 SER 2 HB2 SER 2 -3.181 -18.534 11.937
9 HB3 SER 2 HB1 SER 2 -1.970 -17.735 10.935
10 HG SER 2 HG SER 2 -1.386 -20.360 11.423
11 H VAL 3 HN VAL 3 0.633 -16.805 13.298
12 HA VAL 3 HA VAL 3 -1.105 -15.138 14.850
13 HB VAL 3 HB VAL 3 1.049 -13.955 15.498
14 HG11 VAL 3 HG11 VAL 3 -0.052 -15.548 16.954
15 HG12 VAL 3 HG12 VAL 3 1.698 -15.736 17.062
16 HG13 VAL 3 HG13 VAL 3 0.743 -16.886 16.127
17 HG21 VAL 3 HG21 VAL 3 3.131 -15.216 15.157
18 HG22 VAL 3 HG22 VAL 3 2.440 -14.673 13.631
19 HG23 VAL 3 HG23 VAL 3 2.269 -16.354 14.126
20 H GLU 4 HN GLU 4 -1.957 -13.281 13.819
21 HA GLU 4 HA GLU 4 -2.345 -11.630 12.344
22 HB2 GLU 4 HB2 GLU 4 0.649 -11.327 12.572
23 HB3 GLU 4 HB1 GLU 4 -0.473 -10.094 12.011
24 HG2 GLU 4 HG2 GLU 4 -0.364 -11.293 14.772
25 HG3 GLU 4 HG1 GLU 4 0.163 -9.679 14.301
26 H LYS 5 HN LYS 5 -2.494 -13.878 10.778
27 HA LYS 5 HA LYS 5 -0.410 -13.893 8.764
28 HB2 LYS 5 HB2 LYS 5 -1.337 -16.025 9.592
29 HB3 LYS 5 HB1 LYS 5 -2.923 -15.572 8.991
30 HG2 LYS 5 HG2 LYS 5 -2.174 -15.699 6.718
31 HG3 LYS 5 HG1 LYS 5 -0.501 -15.914 7.230
32 HD2 LYS 5 HD2 LYS 5 -2.675 -17.845 7.991
33 HD3 LYS 5 HD1 LYS 5 -1.775 -17.997 6.482
34 HE2 LYS 5 HE2 LYS 5 0.319 -18.123 7.749
35 HE3 LYS 5 HE1 LYS 5 -0.579 -17.958 9.254
36 HZ1 LYS 5 HZ1 LYS 5 -1.610 -20.043 8.915
37 HZ2 LYS 5 HZ2 LYS 5 0.047 -20.275 8.634
38 HZ3 LYS 5 HZ3 LYS 5 -1.021 -20.167 7.333
39 H LEU 6 HN LEU 6 -2.719 -11.836 9.228
40 HA LEU 6 HA LEU 6 -3.793 -11.734 6.513
41 HB2 LEU 6 HB2 LEU 6 -5.371 -11.393 8.399
42 HB3 LEU 6 HB1 LEU 6 -4.437 -10.005 8.921
43 HG LEU 6 HG LEU 6 -5.001 -8.856 6.811
44 HD11 LEU 6 HD11 LEU 6 -6.756 -11.261 6.327
45 HD12 LEU 6 HD12 LEU 6 -5.339 -10.796 5.384
46 HD13 LEU 6 HD13 LEU 6 -6.772 -9.770 5.388
47 HD21 LEU 6 HD21 LEU 6 -7.351 -8.435 7.366
48 HD22 LEU 6 HD22 LEU 6 -6.338 -8.481 8.809
49 HD23 LEU 6 HD23 LEU 6 -7.357 -9.862 8.404
50 H THR 7 HN THR 7 -1.824 -9.939 8.827
51 HA THR 7 HA THR 7 -0.470 -8.643 6.684
52 HB THR 7 HB THR 7 -1.735 -7.039 8.925
53 HG1 THR 7 HG1 THR 7 -2.678 -7.823 6.514
54 HG21 THR 7 HG21 THR 7 -0.868 -5.105 7.679
55 HG22 THR 7 HG22 THR 7 -0.120 -6.191 6.509
56 HG23 THR 7 HG23 THR 7 0.442 -6.172 8.181
57 H ALA 8 HN ALA 8 1.387 -9.848 7.507
58 HA ALA 8 HA ALA 8 2.402 -8.835 10.075
59 HB1 ALA 8 HB1 ALA 8 2.887 -11.575 8.897
60 HB2 ALA 8 HB2 ALA 8 1.814 -11.212 10.249
61 HB3 ALA 8 HB3 ALA 8 3.553 -10.961 10.409
62 H ASP 9 HN ASP 9 3.003 -9.666 6.783
63 HA ASP 9 HA ASP 9 5.808 -9.480 6.702
64 HB2 ASP 9 HB2 ASP 9 5.574 -9.170 4.291
65 HB3 ASP 9 HB1 ASP 9 4.482 -10.428 4.854
66 H ALA 10 HN ALA 10 3.297 -7.072 6.419
67 HA ALA 10 HA ALA 10 4.832 -4.853 5.724
68 HB1 ALA 10 HB1 ALA 10 2.377 -4.858 7.494
69 HB2 ALA 10 HB2 ALA 10 2.380 -4.789 5.728
70 HB3 ALA 10 HB3 ALA 10 3.057 -3.462 6.664
71 H GLU 11 HN GLU 11 4.316 -6.307 8.882
72 HA GLU 11 HA GLU 11 5.609 -4.166 10.302
73 HB2 GLU 11 HB2 GLU 11 4.946 -6.976 11.216
74 HB3 GLU 11 HB1 GLU 11 5.517 -5.679 12.252
75 HG2 GLU 11 HG2 GLU 11 3.482 -4.384 11.639
76 HG3 GLU 11 HG1 GLU 11 2.889 -5.806 10.785
77 H LEU 12 HN LEU 12 6.587 -6.856 8.522
78 HA LEU 12 HA LEU 12 9.134 -7.226 9.853
79 HB2 LEU 12 HB2 LEU 12 8.401 -8.259 7.115
80 HB3 LEU 12 HB1 LEU 12 9.583 -8.908 8.228
81 HG LEU 12 HG LEU 12 6.581 -9.148 8.381
82 HD11 LEU 12 HD11 LEU 12 8.753 -11.198 8.213
83 HD12 LEU 12 HD12 LEU 12 7.660 -10.702 6.918
84 HD13 LEU 12 HD13 LEU 12 7.023 -11.515 8.346
85 HD21 LEU 12 HD21 LEU 12 7.354 -8.659 10.602
86 HD22 LEU 12 HD22 LEU 12 8.595 -9.916 10.482
87 HD23 LEU 12 HD23 LEU 12 6.880 -10.350 10.471
88 H GLN 13 HN GLN 13 7.765 -5.711 7.049
89 HA GLN 13 HA GLN 13 10.157 -4.812 5.822
90 HB2 GLN 13 HB2 GLN 13 7.876 -4.855 4.724
91 HB3 GLN 13 HB1 GLN 13 7.443 -3.460 5.707
92 HG2 GLN 13 HG2 GLN 13 8.036 -2.686 3.549
93 HG3 GLN 13 HG1 GLN 13 9.335 -2.235 4.652
94 HE21 GLN 13 HE21 GLN 13 8.378 -4.317 2.058
95 HE22 GLN 13 HE22 GLN 13 9.964 -4.852 1.627
96 H ARG 14 HN ARG 14 8.017 -3.462 8.263
97 HA ARG 14 HA ARG 14 9.219 -0.914 8.457
98 HB2 ARG 14 HB2 ARG 14 7.711 -2.484 10.560
99 HB3 ARG 14 HB1 ARG 14 8.108 -0.777 10.665
100 HG2 ARG 14 HG2 ARG 14 6.742 -0.338 8.685
101 HG3 ARG 14 HG1 ARG 14 6.333 -2.051 8.596
102 HD2 ARG 14 HD2 ARG 14 4.534 -0.855 9.665
103 HD3 ARG 14 HD1 ARG 14 5.329 -1.891 10.848
104 HE ARG 14 HE ARG 14 6.430 0.729 10.862
105 HH11 ARG 14 HH11 ARG 14 3.623 -1.092 11.901
106 HH12 ARG 14 HH12 ARG 14 3.284 -0.067 13.253
107 HH21 ARG 14 HH21 ARG 14 5.982 2.114 12.633
108 HH22 ARG 14 HH22 ARG 14 4.645 1.781 13.676
109 H LEU 15 HN LEU 15 9.829 -3.983 10.036
110 HA LEU 15 HA LEU 15 11.756 -3.165 11.894
111 HB2 LEU 15 HB2 LEU 15 10.759 -5.404 11.893
112 HB3 LEU 15 HB1 LEU 15 11.553 -5.773 10.377
113 HG LEU 15 HG LEU 15 13.743 -5.648 11.496
114 HD11 LEU 15 HD11 LEU 15 12.119 -5.229 13.999
115 HD12 LEU 15 HD12 LEU 15 13.203 -4.058 13.247
116 HD13 LEU 15 HD13 LEU 15 13.853 -5.545 13.938
117 HD21 LEU 15 HD21 LEU 15 12.567 -7.785 11.314
118 HD22 LEU 15 HD22 LEU 15 11.784 -7.485 12.866
119 HD23 LEU 15 HD23 LEU 15 13.533 -7.699 12.787
120 H LYS 16 HN LYS 16 12.058 -4.171 8.531
121 HA LYS 16 HA LYS 16 14.860 -3.913 8.304
122 HB2 LYS 16 HB2 LYS 16 13.481 -5.071 6.600
123 HB3 LYS 16 HB1 LYS 16 12.768 -3.530 6.137
124 HG2 LYS 16 HG2 LYS 16 15.033 -2.748 5.492
125 HG3 LYS 16 HG1 LYS 16 15.637 -4.371 5.821
126 HD2 LYS 16 HD2 LYS 16 13.512 -3.647 3.802
127 HD3 LYS 16 HD1 LYS 16 15.190 -4.049 3.437
128 HE2 LYS 16 HE2 LYS 16 14.837 -6.284 4.411
129 HE3 LYS 16 HE1 LYS 16 13.151 -5.870 4.712
130 HZ1 LYS 16 HZ1 LYS 16 13.357 -7.135 2.699
131 HZ2 LYS 16 HZ2 LYS 16 14.468 -6.035 2.064
132 HZ3 LYS 16 HZ3 LYS 16 12.865 -5.565 2.319
133 H ASN 17 HN ASN 17 12.224 -1.627 7.804
134 HA ASN 17 HA ASN 17 13.726 0.542 6.832
135 HB2 ASN 17 HB2 ASN 17 11.165 0.561 8.457
136 HB3 ASN 17 HB1 ASN 17 11.845 1.975 7.668
137 HD21 ASN 17 HD21 ASN 17 12.721 0.515 5.310
138 HD22 ASN 17 HD22 ASN 17 11.299 0.141 4.408
139 H GLU 18 HN GLU 18 12.943 -0.447 10.133
140 HA GLU 18 HA GLU 18 14.183 1.765 11.399
141 HB2 GLU 18 HB2 GLU 18 13.622 -1.008 12.455
142 HB3 GLU 18 HB1 GLU 18 14.132 0.357 13.437
143 HG2 GLU 18 HG2 GLU 18 12.082 1.555 12.768
144 HG3 GLU 18 HG1 GLU 18 11.569 0.120 11.883
145 H ARG 19 HN ARG 19 15.308 -1.514 10.652
146 HA ARG 19 HA ARG 19 17.806 -1.450 11.871
147 HB2 ARG 19 HB2 ARG 19 16.942 -2.836 9.328
148 HB3 ARG 19 HB1 ARG 19 18.503 -3.089 10.082
149 HG2 ARG 19 HG2 ARG 19 15.958 -3.531 11.599
150 HG3 ARG 19 HG1 ARG 19 16.644 -4.777 10.557
151 HD2 ARG 19 HD2 ARG 19 17.394 -5.170 12.799
152 HD3 ARG 19 HD1 ARG 19 18.764 -4.608 11.847
153 HE ARG 19 HE ARG 19 17.347 -2.572 13.354
154 HH11 ARG 19 HH11 ARG 19 20.049 -4.820 13.279
155 HH12 ARG 19 HH12 ARG 19 20.933 -3.995 14.510
156 HH21 ARG 19 HH21 ARG 19 18.501 -1.487 14.994
157 HH22 ARG 19 HH22 ARG 19 20.045 -2.099 15.503
158 H HIS 20 HN HIS 20 17.076 -0.612 8.488
159 HA HIS 20 HA HIS 20 19.711 0.243 7.900
160 HB2 HIS 20 HB2 HIS 20 17.104 0.854 6.495
161 HB3 HIS 20 HB1 HIS 20 18.674 1.371 5.898
162 HD1 HIS 20 HD1 HIS 20 19.883 -0.247 4.420
163 HD2 HIS 20 HD2 HIS 20 16.892 -2.082 6.651
164 HE1 HIS 20 HE1 HIS 20 19.744 -2.595 3.556
165 H GLU 21 HN GLU 21 16.885 1.963 9.077
166 HA GLU 21 HA GLU 21 17.931 4.575 8.866
167 HB2 GLU 21 HB2 GLU 21 15.550 4.164 9.329
168 HB3 GLU 21 HB1 GLU 21 15.965 3.499 10.905
169 HG2 GLU 21 HG2 GLU 21 16.860 5.682 11.565
170 HG3 GLU 21 HG1 GLU 21 16.375 6.335 9.999
171 H GLU 22 HN GLU 22 18.068 2.207 11.467
172 HA GLU 22 HA GLU 22 19.515 3.823 13.270
173 HB2 GLU 22 HB2 GLU 22 19.358 0.803 13.066
174 HB3 GLU 22 HB1 GLU 22 20.169 1.655 14.372
175 HG2 GLU 22 HG2 GLU 22 18.051 2.741 14.966
176 HG3 GLU 22 HG1 GLU 22 17.237 1.842 13.692
177 H ALA 23 HN ALA 23 20.646 1.310 10.987
178 HA ALA 23 HA ALA 23 23.364 1.676 11.277
179 HB1 ALA 23 HB1 ALA 23 22.412 -0.110 9.883
180 HB2 ALA 23 HB2 ALA 23 23.620 0.816 9.000
181 HB3 ALA 23 HB3 ALA 23 21.910 1.089 8.687
182 H GLU 24 HN GLU 24 21.082 3.672 9.554
183 HA GLU 24 HA GLU 24 22.938 5.306 8.158
184 HB2 GLU 24 HB2 GLU 24 20.668 5.443 7.442
185 HB3 GLU 24 HB1 GLU 24 20.076 5.809 9.050
186 HG2 GLU 24 HG2 GLU 24 19.935 7.793 7.789
187 HG3 GLU 24 HG1 GLU 24 21.287 7.997 8.895
188 H LEU 25 HN LEU 25 21.178 5.954 11.182
189 HA LEU 25 HA LEU 25 22.488 8.288 11.948
190 HB2 LEU 25 HB2 LEU 25 21.549 6.126 13.831
191 HB3 LEU 25 HB1 LEU 25 21.718 7.832 14.188
192 HG LEU 25 HG LEU 25 19.712 6.670 12.254
193 HD11 LEU 25 HD11 LEU 25 18.056 7.200 13.964
194 HD12 LEU 25 HD12 LEU 25 19.346 7.690 15.062
195 HD13 LEU 25 HD13 LEU 25 19.224 6.010 14.540
196 HD21 LEU 25 HD21 LEU 25 18.711 8.903 12.348
197 HD22 LEU 25 HD22 LEU 25 20.346 8.941 11.688
198 HD23 LEU 25 HD23 LEU 25 20.052 9.458 13.350
199 H GLU 26 HN GLU 26 23.255 5.004 12.570
200 HA GLU 26 HA GLU 26 25.511 5.413 14.274
201 HB2 GLU 26 HB2 GLU 26 24.266 3.277 14.171
202 HB3 GLU 26 HB1 GLU 26 24.929 2.989 12.570
203 HG2 GLU 26 HG2 GLU 26 27.195 2.997 13.546
204 HG3 GLU 26 HG1 GLU 26 26.473 3.182 15.144
205 H ARG 27 HN ARG 27 25.291 4.692 10.806
206 HA ARG 27 HA ARG 27 28.136 4.752 10.456
207 HB2 ARG 27 HB2 ARG 27 26.707 3.368 9.004
208 HB3 ARG 27 HB1 ARG 27 25.976 4.823 8.341
209 HG2 ARG 27 HG2 ARG 27 28.067 5.481 7.356
210 HG3 ARG 27 HG1 ARG 27 28.892 4.121 8.122
211 HD2 ARG 27 HD2 ARG 27 26.629 3.870 6.148
212 HD3 ARG 27 HD1 ARG 27 28.336 3.727 5.736
213 HE ARG 27 HE ARG 27 28.441 1.723 7.026
214 HH11 ARG 27 HH11 ARG 27 25.170 2.965 6.663
215 HH12 ARG 27 HH12 ARG 27 24.419 1.420 6.874
216 HH21 ARG 27 HH21 ARG 27 27.437 -0.315 7.356
217 HH22 ARG 27 HH22 ARG 27 25.714 -0.447 7.292
218 H LEU 28 HN LEU 28 25.559 7.095 10.039
219 HA LEU 28 HA LEU 28 27.105 8.990 8.597
220 HB2 LEU 28 HB2 LEU 28 24.638 9.161 8.770
221 HB3 LEU 28 HB1 LEU 28 24.795 9.540 10.478
222 HG LEU 28 HG LEU 28 26.077 11.585 9.836
223 HD11 LEU 28 HD11 LEU 28 26.837 10.899 7.641
224 HD12 LEU 28 HD12 LEU 28 25.891 12.383 7.528
225 HD13 LEU 28 HD13 LEU 28 25.173 10.842 7.061
226 HD21 LEU 28 HD21 LEU 28 24.100 12.843 9.122
227 HD22 LEU 28 HD22 LEU 28 23.730 11.708 10.418
228 HD23 LEU 28 HD23 LEU 28 23.281 11.327 8.756
229 H LYS 29 HN LYS 29 26.621 8.321 11.958
230 HA LYS 29 HA LYS 29 28.050 10.478 13.054
231 HB2 LYS 29 HB2 LYS 29 26.623 8.774 14.334
232 HB3 LYS 29 HB1 LYS 29 28.014 7.698 14.255
233 HG2 LYS 29 HG2 LYS 29 29.332 9.252 15.527
234 HG3 LYS 29 HG1 LYS 29 28.020 10.432 15.496
235 HD2 LYS 29 HD2 LYS 29 26.595 8.747 16.677
236 HD3 LYS 29 HD1 LYS 29 28.039 7.752 16.868
237 HE2 LYS 29 HE2 LYS 29 27.676 9.039 18.879
238 HE3 LYS 29 HE1 LYS 29 29.126 9.620 18.062
239 HZ1 LYS 29 HZ1 LYS 29 26.444 10.893 17.927
240 HZ2 LYS 29 HZ2 LYS 29 27.836 11.460 17.159
241 HZ3 LYS 29 HZ3 LYS 29 27.749 11.444 18.844
242 H SER 30 HN SER 30 29.145 7.186 12.200
243 HA SER 30 HA SER 30 31.869 7.562 12.709
244 HB2 SER 30 HB2 SER 30 30.626 5.792 10.588
245 HB3 SER 30 HB1 SER 30 32.209 5.586 11.338
246 HG SER 30 HG SER 30 30.428 5.721 13.286
247 H GLU 31 HN GLU 31 29.921 8.154 9.829
248 HA GLU 31 HA GLU 31 31.870 8.729 7.940
249 HB2 GLU 31 HB2 GLU 31 29.387 8.546 7.570
250 HB3 GLU 31 HB1 GLU 31 29.224 10.145 8.280
251 HG2 GLU 31 HG2 GLU 31 29.167 10.549 6.007
252 HG3 GLU 31 HG1 GLU 31 30.837 10.908 6.444
253 H ARG 32 HN ARG 32 30.002 11.088 9.796
254 HA ARG 32 HA ARG 32 31.421 13.356 9.205
255 HB2 ARG 32 HB2 ARG 32 29.869 12.638 11.667
256 HB3 ARG 32 HB1 ARG 32 30.607 14.222 11.472
257 HG2 ARG 32 HG2 ARG 32 28.557 12.982 9.644
258 HG3 ARG 32 HG1 ARG 32 28.274 14.276 10.813
259 HD2 ARG 32 HD2 ARG 32 29.937 15.659 9.595
260 HD3 ARG 32 HD1 ARG 32 30.059 14.389 8.383
261 HE ARG 32 HE ARG 32 27.395 14.991 8.527
262 HH11 ARG 32 HH11 ARG 32 30.337 16.757 7.863
263 HH12 ARG 32 HH12 ARG 32 29.581 17.913 6.826
264 HH21 ARG 32 HH21 ARG 32 26.372 16.499 7.137
265 HH22 ARG 32 HH22 ARG 32 27.305 17.757 6.401
266 H HIS 33 HN HIS 33 32.391 10.909 11.476
267 HA HIS 33 HA HIS 33 34.291 12.503 12.857
268 HB2 HIS 33 HB2 HIS 33 34.086 9.510 12.512
269 HB3 HIS 33 HB1 HIS 33 35.307 10.284 13.515
270 HD1 HIS 33 HD1 HIS 33 33.114 8.332 14.630
271 HD2 HIS 33 HD2 HIS 33 32.907 12.485 14.704
272 HE1 HIS 33 HE1 HIS 33 31.531 8.891 16.492
273 H ASP 34 HN ASP 34 34.587 10.304 10.090
274 HA ASP 34 HA ASP 34 37.410 11.011 9.801
275 HB2 ASP 34 HB2 ASP 34 36.688 8.647 9.482
276 HB3 ASP 34 HB1 ASP 34 35.750 9.149 8.077
277 H HIS 35 HN HIS 35 34.355 11.585 8.239
278 HA HIS 35 HA HIS 35 35.126 12.628 5.770
279 HB2 HIS 35 HB2 HIS 35 32.786 12.156 6.244
280 HB3 HIS 35 HB1 HIS 35 32.750 13.386 7.501
281 HD2 HIS 35 HD2 HIS 35 33.074 13.285 3.566
282 HE1 HIS 35 HE1 HIS 35 31.358 16.971 4.767
283 HE2 HIS 35 HE2 HIS 35 32.202 15.612 2.837
284 H ASP 36 HN ASP 36 35.357 14.073 8.893
285 HA ASP 36 HA ASP 36 35.485 16.797 8.161
286 HB2 ASP 36 HB2 ASP 36 35.253 16.037 10.521
287 HB3 ASP 36 HB1 ASP 36 36.919 15.462 10.479
288 H LYS 37 HN LYS 37 37.771 14.231 7.879
289 HA LYS 37 HA LYS 37 39.878 16.119 7.080
290 HB2 LYS 37 HB2 LYS 37 40.137 13.221 7.913
291 HB3 LYS 37 HB1 LYS 37 41.464 14.289 7.486
292 HG2 LYS 37 HG2 LYS 37 39.625 14.640 9.849
293 HG3 LYS 37 HG1 LYS 37 41.262 13.986 9.902
294 HD2 LYS 37 HD2 LYS 37 42.108 16.133 9.010
295 HD3 LYS 37 HD1 LYS 37 40.464 16.773 9.063
296 HE2 LYS 37 HE2 LYS 37 42.053 15.784 11.431
297 HE3 LYS 37 HE1 LYS 37 41.772 17.472 11.016
298 HZ1 LYS 37 HZ1 LYS 37 39.374 17.073 11.302
299 HZ2 LYS 37 HZ2 LYS 37 40.250 16.774 12.721
300 HZ3 LYS 37 HZ3 LYS 37 39.705 15.484 11.785
301 H LYS 38 HN LYS 38 38.114 13.205 6.242
302 HA LYS 38 HA LYS 38 39.282 13.277 3.573
303 HB2 LYS 38 HB2 LYS 38 39.307 11.087 4.660
304 HB3 LYS 38 HB1 LYS 38 37.565 11.152 4.886
305 HG2 LYS 38 HG2 LYS 38 38.225 9.705 3.021
306 HG3 LYS 38 HG1 LYS 38 37.216 11.055 2.498
307 HD2 LYS 38 HD2 LYS 38 39.235 12.265 1.790
308 HD3 LYS 38 HD1 LYS 38 40.222 10.887 2.280
309 HE2 LYS 38 HE2 LYS 38 39.120 9.485 0.642
310 HE3 LYS 38 HE1 LYS 38 38.043 10.810 0.199
311 HZ1 LYS 38 HZ1 LYS 38 40.988 10.795 -0.136
312 HZ2 LYS 38 HZ2 LYS 38 39.954 12.061 -0.562
313 HZ3 LYS 38 HZ3 LYS 38 39.852 10.582 -1.369
314 H GLU 39 HN GLU 39 38.241 14.996 2.730
315 HA GLU 39 HA GLU 39 35.528 15.544 2.732
316 HB2 GLU 39 HB2 GLU 39 35.851 16.841 0.710
317 HB3 GLU 39 HB1 GLU 39 37.227 17.080 1.772
318 HG2 GLU 39 HG2 GLU 39 38.600 15.665 0.417
319 HG3 GLU 39 HG1 GLU 39 37.214 15.165 -0.548
320 H ALA 40 HN ALA 40 33.800 14.761 1.759
321 HA ALA 40 HA ALA 40 33.782 13.154 -0.557
322 HB1 ALA 40 HB1 ALA 40 33.112 11.017 0.453
323 HB2 ALA 40 HB2 ALA 40 33.353 11.692 2.063
324 HB3 ALA 40 HB3 ALA 40 34.730 11.477 0.982
325 H GLU 41 HN GLU 41 31.406 11.677 0.079
326 HA GLU 41 HA GLU 41 29.600 13.928 0.515
327 HB2 GLU 41 HB2 GLU 41 27.955 12.423 -0.813
328 HB3 GLU 41 HB1 GLU 41 29.192 13.321 -1.672
329 HG2 GLU 41 HG2 GLU 41 30.568 11.303 -1.802
330 HG3 GLU 41 HG1 GLU 41 29.325 10.392 -0.956
331 H ARG 42 HN ARG 42 28.810 10.453 0.525
332 HA ARG 42 HA ARG 42 28.591 10.153 3.248
333 HB2 ARG 42 HB2 ARG 42 26.741 11.701 3.150
334 HB3 ARG 42 HB1 ARG 42 26.077 10.904 1.739
335 HG2 ARG 42 HG2 ARG 42 25.465 8.980 3.066
336 HG3 ARG 42 HG1 ARG 42 26.235 9.688 4.491
337 HD2 ARG 42 HD2 ARG 42 24.605 11.299 4.739
338 HD3 ARG 42 HD1 ARG 42 24.143 11.245 3.043
339 HE ARG 42 HE ARG 42 23.427 9.157 5.020
340 HH11 ARG 42 HH11 ARG 42 22.669 11.138 2.212
341 HH12 ARG 42 HH12 ARG 42 21.097 10.461 1.999
342 HH21 ARG 42 HH21 ARG 42 21.358 8.224 4.706
343 HH22 ARG 42 HH22 ARG 42 20.343 8.809 3.421
344 H LYS 43 HN LYS 43 28.906 8.152 3.359
345 HA LYS 43 HA LYS 43 28.402 6.308 1.183
346 HB2 LYS 43 HB2 LYS 43 29.505 5.735 3.934
347 HB3 LYS 43 HB1 LYS 43 29.611 4.694 2.521
348 HG2 LYS 43 HG2 LYS 43 31.054 6.264 1.410
349 HG3 LYS 43 HG1 LYS 43 30.859 7.424 2.725
350 HD2 LYS 43 HD2 LYS 43 31.900 5.794 4.265
351 HD3 LYS 43 HD1 LYS 43 32.167 4.711 2.898
352 HE2 LYS 43 HE2 LYS 43 33.310 7.477 3.262
353 HE3 LYS 43 HE1 LYS 43 34.190 5.952 3.368
354 HZ1 LYS 43 HZ1 LYS 43 34.564 6.953 1.239
355 HZ2 LYS 43 HZ2 LYS 43 32.906 7.097 0.956
356 HZ3 LYS 43 HZ3 LYS 43 33.619 5.563 1.019
357 H ALA 44 HN ALA 44 26.917 7.242 4.102
358 HA ALA 44 HA ALA 44 25.515 4.919 4.796
359 HB1 ALA 44 HB1 ALA 44 23.983 6.358 6.034
360 HB2 ALA 44 HB2 ALA 44 24.621 7.776 5.209
361 HB3 ALA 44 HB3 ALA 44 25.653 6.843 6.299
362 H LEU 45 HN LEU 45 24.645 7.496 2.490
363 HA LEU 45 HA LEU 45 22.093 6.759 1.822
364 HB2 LEU 45 HB2 LEU 45 23.142 8.800 1.042
365 HB3 LEU 45 HB1 LEU 45 24.280 7.885 0.074
366 HG LEU 45 HG LEU 45 22.414 7.114 -1.354
367 HD11 LEU 45 HD11 LEU 45 20.234 8.207 -1.170
368 HD12 LEU 45 HD12 LEU 45 20.766 9.006 0.308
369 HD13 LEU 45 HD13 LEU 45 20.606 7.250 0.264
370 HD21 LEU 45 HD21 LEU 45 22.621 10.106 -1.054
371 HD22 LEU 45 HD22 LEU 45 22.042 9.247 -2.480
372 HD23 LEU 45 HD23 LEU 45 23.722 9.080 -1.970
373 H GLU 46 HN GLU 46 24.844 4.843 1.366
374 HA GLU 46 HA GLU 46 23.819 3.571 -1.061
375 HB2 GLU 46 HB2 GLU 46 26.268 3.990 -0.923
376 HB3 GLU 46 HB1 GLU 46 26.347 2.945 0.490
377 HG2 GLU 46 HG2 GLU 46 25.449 1.100 -0.936
378 HG3 GLU 46 HG1 GLU 46 25.645 2.168 -2.323
379 H ASP 47 HN ASP 47 24.105 3.187 2.339
380 HA ASP 47 HA ASP 47 23.316 0.368 2.235
381 HB2 ASP 47 HB2 ASP 47 25.191 0.956 3.716
382 HB3 ASP 47 HB1 ASP 47 24.135 2.037 4.620
383 H LYS 48 HN LYS 48 21.996 3.482 2.797
384 HA LYS 48 HA LYS 48 19.705 2.439 4.284
385 HB2 LYS 48 HB2 LYS 48 20.754 4.605 4.984
386 HB3 LYS 48 HB1 LYS 48 20.309 5.296 3.430
387 HG2 LYS 48 HG2 LYS 48 17.933 4.930 3.982
388 HG3 LYS 48 HG1 LYS 48 18.418 4.318 5.564
389 HD2 LYS 48 HD2 LYS 48 19.390 6.456 6.135
390 HD3 LYS 48 HD1 LYS 48 19.068 7.070 4.514
391 HE2 LYS 48 HE2 LYS 48 16.925 6.133 6.411
392 HE3 LYS 48 HE1 LYS 48 17.441 7.813 6.267
393 HZ1 LYS 48 HZ1 LYS 48 16.757 7.822 3.976
394 HZ2 LYS 48 HZ2 LYS 48 15.462 7.305 4.932
395 HZ3 LYS 48 HZ3 LYS 48 16.348 6.184 4.038
396 H LEU 49 HN LEU 49 20.474 2.106 1.294
397 HA LEU 49 HA LEU 49 17.792 2.256 0.311
398 HB2 LEU 49 HB2 LEU 49 18.695 4.527 -0.114
399 HB3 LEU 49 HB1 LEU 49 19.995 3.815 -1.042
400 HG LEU 49 HG LEU 49 18.264 2.910 -2.612
401 HD11 LEU 49 HD11 LEU 49 16.048 3.952 -2.568
402 HD12 LEU 49 HD12 LEU 49 16.452 4.735 -1.041
403 HD13 LEU 49 HD13 LEU 49 16.343 2.977 -1.129
404 HD21 LEU 49 HD21 LEU 49 18.395 5.895 -2.249
405 HD22 LEU 49 HD22 LEU 49 17.923 5.057 -3.731
406 HD23 LEU 49 HD23 LEU 49 19.567 4.897 -3.107
407 H ALA 50 HN ALA 50 20.945 2.261 -1.265
408 HA ALA 50 HA ALA 50 22.256 0.614 -2.177
409 HB1 ALA 50 HB1 ALA 50 20.190 -1.358 -1.181
410 HB2 ALA 50 HB2 ALA 50 21.653 -0.882 -0.320
411 HB3 ALA 50 HB3 ALA 50 21.775 -1.759 -1.844
412 H ASP 51 HN ASP 51 20.373 2.110 -3.495
413 HA ASP 51 HA ASP 51 19.550 0.287 -5.657
414 HB2 ASP 51 HB2 ASP 51 18.174 2.744 -4.609
415 HB3 ASP 51 HB1 ASP 51 17.902 2.199 -6.259
416 H TYR 52 HN TYR 52 21.562 2.837 -4.768
417 HA TYR 52 HA TYR 52 23.036 4.114 -5.825
418 HB2 TYR 52 HB2 TYR 52 22.697 1.953 -7.885
419 HB3 TYR 52 HB1 TYR 52 23.819 3.290 -8.123
420 HD1 TYR 52 HD1 TYR 52 23.052 0.366 -6.002
421 HD2 TYR 52 HD2 TYR 52 25.887 3.391 -6.944
422 HE1 TYR 52 HE1 TYR 52 24.739 -0.803 -4.654
423 HE2 TYR 52 HE2 TYR 52 27.582 2.227 -5.601
424 HH TYR 52 HH TYR 52 27.642 0.647 -3.704
Start of MODEL 10
1 H1 GLY 1 HT1 GLY 1 7.961 -19.444 -3.417
2 H2 GLY 1 HT2 GLY 1 6.465 -18.837 -2.922
3 H3 GLY 1 HT3 GLY 1 7.401 -19.758 -1.856
4 HA2 GLY 1 HA1 GLY 1 9.102 -18.054 -1.824
5 HA3 GLY 1 HA2 GLY 1 8.130 -17.098 -2.934
6 H SER 2 HN SER 2 5.977 -16.445 -2.174
7 HA SER 2 HA SER 2 6.141 -15.515 0.542
8 HB2 SER 2 HB2 SER 2 3.946 -15.148 -1.508
9 HB3 SER 2 HB1 SER 2 4.140 -14.236 -0.010
10 HG SER 2 HG SER 2 6.428 -14.047 -1.248
11 H VAL 3 HN VAL 3 4.824 -16.108 2.241
12 HA VAL 3 HA VAL 3 2.832 -18.197 1.811
13 HB VAL 3 HB VAL 3 5.004 -19.332 2.368
14 HG11 VAL 3 HG11 VAL 3 5.973 -17.642 3.811
15 HG12 VAL 3 HG12 VAL 3 5.878 -19.192 4.648
16 HG13 VAL 3 HG13 VAL 3 4.712 -17.921 5.013
17 HG21 VAL 3 HG21 VAL 3 4.088 -20.793 4.117
18 HG22 VAL 3 HG22 VAL 3 2.894 -20.426 2.872
19 HG23 VAL 3 HG23 VAL 3 2.821 -19.608 4.432
20 H GLU 4 HN GLU 4 3.984 -15.474 3.306
21 HA GLU 4 HA GLU 4 2.010 -15.536 5.479
22 HB2 GLU 4 HB2 GLU 4 4.261 -13.570 4.989
23 HB3 GLU 4 HB1 GLU 4 3.160 -13.558 6.363
24 HG2 GLU 4 HG2 GLU 4 3.979 -15.749 7.044
25 HG3 GLU 4 HG1 GLU 4 5.079 -15.766 5.668
26 H LYS 5 HN LYS 5 3.075 -13.317 2.917
27 HA LYS 5 HA LYS 5 1.852 -12.098 1.455
28 HB2 LYS 5 HB2 LYS 5 0.486 -14.142 1.206
29 HB3 LYS 5 HB1 LYS 5 -0.536 -13.606 2.529
30 HG2 LYS 5 HG2 LYS 5 -1.210 -11.662 1.234
31 HG3 LYS 5 HG1 LYS 5 -0.159 -12.175 -0.088
32 HD2 LYS 5 HD2 LYS 5 -1.456 -14.271 -0.252
33 HD3 LYS 5 HD1 LYS 5 -2.540 -13.666 1.001
34 HE2 LYS 5 HE2 LYS 5 -3.405 -13.336 -1.294
35 HE3 LYS 5 HE1 LYS 5 -3.218 -11.835 -0.391
36 HZ1 LYS 5 HZ1 LYS 5 -1.232 -12.872 -2.341
37 HZ2 LYS 5 HZ2 LYS 5 -1.195 -11.374 -1.561
38 HZ3 LYS 5 HZ3 LYS 5 -2.399 -11.703 -2.696
39 H LEU 6 HN LEU 6 2.618 -10.580 3.399
40 HA LEU 6 HA LEU 6 2.187 -8.504 4.162
41 HB2 LEU 6 HB2 LEU 6 -0.736 -9.040 3.657
42 HB3 LEU 6 HB1 LEU 6 -0.056 -7.503 4.148
43 HG LEU 6 HG LEU 6 0.416 -8.920 1.523
44 HD11 LEU 6 HD11 LEU 6 -1.013 -6.351 2.179
45 HD12 LEU 6 HD12 LEU 6 -1.767 -7.869 1.694
46 HD13 LEU 6 HD13 LEU 6 -0.735 -6.998 0.562
47 HD21 LEU 6 HD21 LEU 6 1.542 -6.315 2.543
48 HD22 LEU 6 HD22 LEU 6 1.683 -6.909 0.890
49 HD23 LEU 6 HD23 LEU 6 2.450 -7.791 2.212
50 H THR 7 HN THR 7 0.952 -11.358 5.590
51 HA THR 7 HA THR 7 0.263 -9.914 7.922
52 HB THR 7 HB THR 7 -1.270 -11.751 7.269
53 HG1 THR 7 HG1 THR 7 -0.006 -12.533 9.680
54 HG21 THR 7 HG21 THR 7 1.051 -13.582 7.886
55 HG22 THR 7 HG22 THR 7 0.296 -13.347 6.309
56 HG23 THR 7 HG23 THR 7 -0.613 -14.101 7.619
57 H ALA 8 HN ALA 8 2.067 -9.386 8.982
58 HA ALA 8 HA ALA 8 3.872 -9.580 10.371
59 HB1 ALA 8 HB1 ALA 8 3.586 -12.011 10.672
60 HB2 ALA 8 HB2 ALA 8 5.285 -11.571 10.495
61 HB3 ALA 8 HB3 ALA 8 4.415 -12.292 9.141
62 H ASP 9 HN ASP 9 3.830 -10.220 7.017
63 HA ASP 9 HA ASP 9 6.492 -9.540 6.300
64 HB2 ASP 9 HB2 ASP 9 3.879 -9.262 4.806
65 HB3 ASP 9 HB1 ASP 9 5.372 -8.628 4.144
66 H ALA 10 HN ALA 10 3.614 -7.702 6.877
67 HA ALA 10 HA ALA 10 4.549 -5.141 6.210
68 HB1 ALA 10 HB1 ALA 10 2.449 -5.826 8.279
69 HB2 ALA 10 HB2 ALA 10 2.161 -5.607 6.550
70 HB3 ALA 10 HB3 ALA 10 2.704 -4.252 7.533
71 H GLU 11 HN GLU 11 4.946 -7.029 9.108
72 HA GLU 11 HA GLU 11 5.992 -4.804 10.622
73 HB2 GLU 11 HB2 GLU 11 6.017 -7.767 11.241
74 HB3 GLU 11 HB1 GLU 11 6.517 -6.493 12.340
75 HG2 GLU 11 HG2 GLU 11 4.204 -5.565 12.196
76 HG3 GLU 11 HG1 GLU 11 3.748 -7.006 11.289
77 H LEU 12 HN LEU 12 7.111 -7.246 8.525
78 HA LEU 12 HA LEU 12 9.882 -7.150 9.227
79 HB2 LEU 12 HB2 LEU 12 8.790 -7.851 6.496
80 HB3 LEU 12 HB1 LEU 12 10.309 -8.359 7.198
81 HG LEU 12 HG LEU 12 7.545 -9.369 7.838
82 HD11 LEU 12 HD11 LEU 12 8.492 -11.512 7.262
83 HD12 LEU 12 HD12 LEU 12 10.025 -10.730 6.866
84 HD13 LEU 12 HD13 LEU 12 8.572 -10.359 5.933
85 HD21 LEU 12 HD21 LEU 12 10.083 -9.909 9.364
86 HD22 LEU 12 HD22 LEU 12 8.546 -10.764 9.556
87 HD23 LEU 12 HD23 LEU 12 8.651 -9.049 9.945
88 H GLN 13 HN GLN 13 7.825 -5.639 6.818
89 HA GLN 13 HA GLN 13 9.750 -3.990 5.578
90 HB2 GLN 13 HB2 GLN 13 6.765 -3.582 5.917
91 HB3 GLN 13 HB1 GLN 13 7.787 -2.666 4.823
92 HG2 GLN 13 HG2 GLN 13 8.188 -4.544 3.458
93 HG3 GLN 13 HG1 GLN 13 7.527 -5.650 4.660
94 HE21 GLN 13 HE21 GLN 13 6.761 -3.228 2.279
95 HE22 GLN 13 HE22 GLN 13 5.092 -3.645 2.108
96 H ARG 14 HN ARG 14 8.039 -3.777 8.533
97 HA ARG 14 HA ARG 14 8.471 -0.948 8.952
98 HB2 ARG 14 HB2 ARG 14 6.505 -2.082 9.947
99 HB3 ARG 14 HB1 ARG 14 7.559 -3.075 10.931
100 HG2 ARG 14 HG2 ARG 14 6.693 -1.366 12.310
101 HG3 ARG 14 HG1 ARG 14 8.384 -0.972 12.009
102 HD2 ARG 14 HD2 ARG 14 6.257 0.169 10.246
103 HD3 ARG 14 HD1 ARG 14 6.533 0.871 11.837
104 HE ARG 14 HE ARG 14 8.994 0.922 10.903
105 HH11 ARG 14 HH11 ARG 14 6.042 1.654 9.157
106 HH12 ARG 14 HH12 ARG 14 6.762 2.896 8.200
107 HH21 ARG 14 HH21 ARG 14 9.950 2.592 9.661
108 HH22 ARG 14 HH22 ARG 14 8.993 3.428 8.475
109 H LEU 15 HN LEU 15 9.723 -3.956 10.397
110 HA LEU 15 HA LEU 15 11.673 -2.732 12.009
111 HB2 LEU 15 HB2 LEU 15 10.892 -5.019 12.369
112 HB3 LEU 15 HB1 LEU 15 11.595 -5.517 10.845
113 HG LEU 15 HG LEU 15 13.846 -5.007 11.745
114 HD11 LEU 15 HD11 LEU 15 14.110 -4.665 14.154
115 HD12 LEU 15 HD12 LEU 15 12.359 -4.536 14.323
116 HD13 LEU 15 HD13 LEU 15 13.248 -3.332 13.389
117 HD21 LEU 15 HD21 LEU 15 12.979 -7.276 11.830
118 HD22 LEU 15 HD22 LEU 15 12.198 -6.936 13.375
119 HD23 LEU 15 HD23 LEU 15 13.958 -6.934 13.258
120 H LYS 16 HN LYS 16 11.805 -4.068 8.747
121 HA LYS 16 HA LYS 16 14.532 -3.881 8.257
122 HB2 LYS 16 HB2 LYS 16 13.032 -4.992 6.685
123 HB3 LYS 16 HB1 LYS 16 12.244 -3.465 6.312
124 HG2 LYS 16 HG2 LYS 16 14.271 -2.644 5.282
125 HG3 LYS 16 HG1 LYS 16 15.118 -4.130 5.719
126 HD2 LYS 16 HD2 LYS 16 13.597 -5.426 4.327
127 HD3 LYS 16 HD1 LYS 16 12.694 -3.965 3.928
128 HE2 LYS 16 HE2 LYS 16 15.590 -4.483 3.260
129 HE3 LYS 16 HE1 LYS 16 14.237 -4.611 2.137
130 HZ1 LYS 16 HZ1 LYS 16 13.795 -2.246 2.492
131 HZ2 LYS 16 HZ2 LYS 16 15.351 -2.498 1.890
132 HZ3 LYS 16 HZ3 LYS 16 15.128 -2.143 3.521
133 H ASN 17 HN ASN 17 12.044 -1.405 7.883
134 HA ASN 17 HA ASN 17 13.774 0.561 6.796
135 HB2 ASN 17 HB2 ASN 17 11.324 0.783 6.603
136 HB3 ASN 17 HB1 ASN 17 11.201 0.991 8.351
137 HD21 ASN 17 HD21 ASN 17 11.893 2.922 9.293
138 HD22 ASN 17 HD22 ASN 17 12.229 4.334 8.342
139 H GLU 18 HN GLU 18 12.614 -0.002 10.097
140 HA GLU 18 HA GLU 18 13.909 2.169 11.304
141 HB2 GLU 18 HB2 GLU 18 13.321 -0.485 12.617
142 HB3 GLU 18 HB1 GLU 18 13.496 1.073 13.404
143 HG2 GLU 18 HG2 GLU 18 11.259 0.139 11.640
144 HG3 GLU 18 HG1 GLU 18 11.192 0.568 13.347
145 H ARG 19 HN ARG 19 14.930 -1.156 10.817
146 HA ARG 19 HA ARG 19 17.404 -0.918 12.202
147 HB2 ARG 19 HB2 ARG 19 16.300 -3.100 11.730
148 HB3 ARG 19 HB1 ARG 19 16.664 -2.888 10.022
149 HG2 ARG 19 HG2 ARG 19 19.045 -2.929 10.528
150 HG3 ARG 19 HG1 ARG 19 18.675 -3.140 12.241
151 HD2 ARG 19 HD2 ARG 19 17.419 -5.205 11.636
152 HD3 ARG 19 HD1 ARG 19 18.016 -5.019 9.987
153 HE ARG 19 HE ARG 19 20.271 -4.977 11.473
154 HH11 ARG 19 HH11 ARG 19 17.557 -7.186 11.233
155 HH12 ARG 19 HH12 ARG 19 18.469 -8.574 11.710
156 HH21 ARG 19 HH21 ARG 19 21.497 -6.825 12.104
157 HH22 ARG 19 HH22 ARG 19 20.720 -8.367 12.214
158 H HIS 20 HN HIS 20 16.457 -0.562 8.839
159 HA HIS 20 HA HIS 20 19.069 -0.284 7.798
160 HB2 HIS 20 HB2 HIS 20 17.129 -0.751 6.330
161 HB3 HIS 20 HB1 HIS 20 16.506 0.867 6.650
162 HD1 HIS 20 HD1 HIS 20 17.269 2.668 5.105
163 HD2 HIS 20 HD2 HIS 20 19.672 -0.717 4.884
164 HE1 HIS 20 HE1 HIS 20 18.889 3.121 3.250
165 H GLU 21 HN GLU 21 16.694 2.184 8.886
166 HA GLU 21 HA GLU 21 18.418 4.350 8.208
167 HB2 GLU 21 HB2 GLU 21 16.014 4.255 10.052
168 HB3 GLU 21 HB1 GLU 21 16.870 5.721 9.615
169 HG2 GLU 21 HG2 GLU 21 16.335 5.119 7.196
170 HG3 GLU 21 HG1 GLU 21 15.202 3.947 7.868
171 H GLU 22 HN GLU 22 18.201 2.203 10.859
172 HA GLU 22 HA GLU 22 19.413 3.917 12.801
173 HB2 GLU 22 HB2 GLU 22 18.034 1.967 13.468
174 HB3 GLU 22 HB1 GLU 22 19.258 0.891 12.804
175 HG2 GLU 22 HG2 GLU 22 20.846 1.578 14.446
176 HG3 GLU 22 HG1 GLU 22 19.766 2.845 15.027
177 H ALA 23 HN ALA 23 20.647 1.376 10.591
178 HA ALA 23 HA ALA 23 23.317 1.621 11.528
179 HB1 ALA 23 HB1 ALA 23 22.495 -0.432 10.422
180 HB2 ALA 23 HB2 ALA 23 23.913 0.235 9.622
181 HB3 ALA 23 HB3 ALA 23 22.320 0.467 8.910
182 H GLU 24 HN GLU 24 21.368 3.255 9.158
183 HA GLU 24 HA GLU 24 23.495 4.460 7.693
184 HB2 GLU 24 HB2 GLU 24 20.641 5.413 8.070
185 HB3 GLU 24 HB1 GLU 24 21.777 6.057 6.898
186 HG2 GLU 24 HG2 GLU 24 20.656 3.266 6.952
187 HG3 GLU 24 HG1 GLU 24 20.218 4.555 5.834
188 H LEU 25 HN LEU 25 21.740 5.220 10.620
189 HA LEU 25 HA LEU 25 22.735 7.867 10.908
190 HB2 LEU 25 HB2 LEU 25 20.674 7.030 12.002
191 HB3 LEU 25 HB1 LEU 25 21.654 5.976 12.998
192 HG LEU 25 HG LEU 25 22.740 7.975 13.987
193 HD11 LEU 25 HD11 LEU 25 21.696 10.166 13.649
194 HD12 LEU 25 HD12 LEU 25 20.670 9.475 12.392
195 HD13 LEU 25 HD13 LEU 25 22.419 9.541 12.168
196 HD21 LEU 25 HD21 LEU 25 20.869 6.898 15.109
197 HD22 LEU 25 HD22 LEU 25 19.734 7.890 14.193
198 HD23 LEU 25 HD23 LEU 25 20.826 8.644 15.355
199 H GLU 26 HN GLU 26 23.553 4.736 12.328
200 HA GLU 26 HA GLU 26 25.689 5.429 13.932
201 HB2 GLU 26 HB2 GLU 26 24.806 3.137 13.789
202 HB3 GLU 26 HB1 GLU 26 25.517 2.966 12.188
203 HG2 GLU 26 HG2 GLU 26 27.747 3.476 13.311
204 HG3 GLU 26 HG1 GLU 26 26.908 3.188 14.832
205 H ARG 27 HN ARG 27 25.733 4.782 10.463
206 HA ARG 27 HA ARG 27 28.518 5.084 10.084
207 HB2 ARG 27 HB2 ARG 27 26.964 4.092 8.387
208 HB3 ARG 27 HB1 ARG 27 26.356 5.711 8.058
209 HG2 ARG 27 HG2 ARG 27 28.695 6.357 7.435
210 HG3 ARG 27 HG1 ARG 27 29.125 4.650 7.560
211 HD2 ARG 27 HD2 ARG 27 27.135 5.912 5.687
212 HD3 ARG 27 HD1 ARG 27 28.655 5.129 5.266
213 HE ARG 27 HE ARG 27 27.656 3.021 6.004
214 HH11 ARG 27 HH11 ARG 27 25.491 5.694 5.274
215 HH12 ARG 27 HH12 ARG 27 24.124 4.669 4.976
216 HH21 ARG 27 HH21 ARG 27 25.826 1.676 5.630
217 HH22 ARG 27 HH22 ARG 27 24.306 2.404 5.215
218 H LEU 28 HN LEU 28 25.912 7.414 10.329
219 HA LEU 28 HA LEU 28 27.483 9.590 9.252
220 HB2 LEU 28 HB2 LEU 28 25.014 9.523 8.960
221 HB3 LEU 28 HB1 LEU 28 24.815 9.640 10.699
222 HG LEU 28 HG LEU 28 25.860 11.879 10.642
223 HD11 LEU 28 HD11 LEU 28 25.796 11.488 7.657
224 HD12 LEU 28 HD12 LEU 28 27.236 11.635 8.664
225 HD13 LEU 28 HD13 LEU 28 26.141 13.006 8.484
226 HD21 LEU 28 HD21 LEU 28 23.434 11.639 10.565
227 HD22 LEU 28 HD22 LEU 28 23.492 11.531 8.806
228 HD23 LEU 28 HD23 LEU 28 23.962 13.026 9.613
229 H LYS 29 HN LYS 29 26.854 8.102 12.270
230 HA LYS 29 HA LYS 29 27.773 10.296 13.912
231 HB2 LYS 29 HB2 LYS 29 27.371 7.359 14.582
232 HB3 LYS 29 HB1 LYS 29 27.759 8.616 15.743
233 HG2 LYS 29 HG2 LYS 29 25.650 9.648 15.495
234 HG3 LYS 29 HG1 LYS 29 25.283 8.714 14.043
235 HD2 LYS 29 HD2 LYS 29 24.043 7.824 15.937
236 HD3 LYS 29 HD1 LYS 29 25.245 6.653 15.403
237 HE2 LYS 29 HE2 LYS 29 25.398 6.630 17.738
238 HE3 LYS 29 HE1 LYS 29 26.751 7.632 17.223
239 HZ1 LYS 29 HZ1 LYS 29 25.710 8.726 19.023
240 HZ2 LYS 29 HZ2 LYS 29 24.171 8.516 18.368
241 HZ3 LYS 29 HZ3 LYS 29 25.242 9.597 17.642
242 H SER 30 HN SER 30 29.088 7.549 12.270
243 HA SER 30 HA SER 30 31.620 7.575 13.626
244 HB2 SER 30 HB2 SER 30 30.744 5.468 12.692
245 HB3 SER 30 HB1 SER 30 30.763 6.165 11.070
246 HG SER 30 HG SER 30 32.659 5.252 11.055
247 H GLU 31 HN GLU 31 30.521 8.402 10.324
248 HA GLU 31 HA GLU 31 32.973 9.450 9.442
249 HB2 GLU 31 HB2 GLU 31 30.172 10.131 8.528
250 HB3 GLU 31 HB1 GLU 31 31.648 10.526 7.656
251 HG2 GLU 31 HG2 GLU 31 32.142 8.148 7.408
252 HG3 GLU 31 HG1 GLU 31 30.669 7.750 8.289
253 H ARG 32 HN ARG 32 30.533 10.766 11.475
254 HA ARG 32 HA ARG 32 31.121 13.516 11.142
255 HB2 ARG 32 HB2 ARG 32 29.040 12.658 12.176
256 HB3 ARG 32 HB1 ARG 32 29.978 12.083 13.544
257 HG2 ARG 32 HG2 ARG 32 30.662 14.430 13.989
258 HG3 ARG 32 HG1 ARG 32 29.564 14.942 12.704
259 HD2 ARG 32 HD2 ARG 32 28.452 15.169 14.824
260 HD3 ARG 32 HD1 ARG 32 27.707 13.851 13.920
261 HE ARG 32 HE ARG 32 29.770 13.241 15.917
262 HH11 ARG 32 HH11 ARG 32 26.438 13.017 14.862
263 HH12 ARG 32 HH12 ARG 32 25.979 11.900 16.109
264 HH21 ARG 32 HH21 ARG 32 29.190 11.778 17.542
265 HH22 ARG 32 HH22 ARG 32 27.563 11.188 17.649
266 H HIS 33 HN HIS 33 32.527 10.915 12.998
267 HA HIS 33 HA HIS 33 34.061 12.679 14.695
268 HB2 HIS 33 HB2 HIS 33 33.236 10.436 15.469
269 HB3 HIS 33 HB1 HIS 33 34.367 9.688 14.349
270 HD1 HIS 33 HD1 HIS 33 36.613 9.167 15.295
271 HD2 HIS 33 HD2 HIS 33 34.657 12.131 17.457
272 HE1 HIS 33 HE1 HIS 33 38.104 9.671 17.249
273 H ASP 34 HN ASP 34 34.408 11.188 11.633
274 HA ASP 34 HA ASP 34 37.241 11.127 11.570
275 HB2 ASP 34 HB2 ASP 34 35.190 10.971 9.368
276 HB3 ASP 34 HB1 ASP 34 36.905 11.108 9.005
277 H HIS 35 HN HIS 35 35.137 13.697 11.582
278 HA HIS 35 HA HIS 35 36.481 15.572 9.971
279 HB2 HIS 35 HB2 HIS 35 35.317 17.299 11.153
280 HB3 HIS 35 HB1 HIS 35 34.215 15.936 11.112
281 HD2 HIS 35 HD2 HIS 35 34.483 18.457 13.491
282 HE1 HIS 35 HE1 HIS 35 35.051 15.096 16.007
283 HE2 HIS 35 HE2 HIS 35 34.563 17.557 15.910
284 H ASP 36 HN ASP 36 37.145 14.271 13.097
285 HA ASP 36 HA ASP 36 39.106 16.111 13.999
286 HB2 ASP 36 HB2 ASP 36 38.004 14.493 15.513
287 HB3 ASP 36 HB1 ASP 36 38.804 13.166 14.676
288 H LYS 37 HN LYS 37 39.209 13.328 11.915
289 HA LYS 37 HA LYS 37 42.043 12.995 11.806
290 HB2 LYS 37 HB2 LYS 37 40.118 12.284 9.604
291 HB3 LYS 37 HB1 LYS 37 41.630 11.497 10.020
292 HG2 LYS 37 HG2 LYS 37 39.210 11.476 11.792
293 HG3 LYS 37 HG1 LYS 37 39.547 10.236 10.585
294 HD2 LYS 37 HD2 LYS 37 41.751 9.875 11.732
295 HD3 LYS 37 HD1 LYS 37 41.173 10.948 13.012
296 HE2 LYS 37 HE2 LYS 37 40.808 8.574 13.540
297 HE3 LYS 37 HE1 LYS 37 39.304 9.486 13.450
298 HZ1 LYS 37 HZ1 LYS 37 40.390 7.830 11.236
299 HZ2 LYS 37 HZ2 LYS 37 38.874 8.584 11.273
300 HZ3 LYS 37 HZ3 LYS 37 39.214 7.303 12.323
301 H LYS 38 HN LYS 38 39.920 15.298 10.645
302 HA LYS 38 HA LYS 38 40.044 17.082 9.312
303 HB2 LYS 38 HB2 LYS 38 42.981 16.413 9.074
304 HB3 LYS 38 HB1 LYS 38 42.235 17.894 8.491
305 HG2 LYS 38 HG2 LYS 38 42.662 16.993 11.317
306 HG3 LYS 38 HG1 LYS 38 43.163 18.494 10.535
307 HD2 LYS 38 HD2 LYS 38 40.729 19.081 10.314
308 HD3 LYS 38 HD1 LYS 38 40.369 17.680 11.324
309 HE2 LYS 38 HE2 LYS 38 40.400 19.570 12.755
310 HE3 LYS 38 HE1 LYS 38 41.890 18.678 13.060
311 HZ1 LYS 38 HZ1 LYS 38 42.247 21.075 12.882
312 HZ2 LYS 38 HZ2 LYS 38 41.645 21.051 11.296
313 HZ3 LYS 38 HZ3 LYS 38 43.081 20.232 11.673
314 H GLU 39 HN GLU 39 39.655 14.296 8.355
315 HA GLU 39 HA GLU 39 40.306 14.557 5.529
316 HB2 GLU 39 HB2 GLU 39 38.744 12.413 6.996
317 HB3 GLU 39 HB1 GLU 39 39.177 12.368 5.294
318 HG2 GLU 39 HG2 GLU 39 41.555 12.387 5.927
319 HG3 GLU 39 HG1 GLU 39 41.079 12.335 7.622
320 H ALA 40 HN ALA 40 38.153 15.807 7.552
321 HA ALA 40 HA ALA 40 36.262 16.371 5.414
322 HB1 ALA 40 HB1 ALA 40 35.248 14.561 6.748
323 HB2 ALA 40 HB2 ALA 40 34.343 16.067 6.893
324 HB3 ALA 40 HB3 ALA 40 35.410 15.551 8.198
325 H GLU 41 HN GLU 41 36.540 17.046 8.905
326 HA GLU 41 HA GLU 41 36.596 18.924 10.114
327 HB2 GLU 41 HB2 GLU 41 38.835 19.081 8.935
328 HB3 GLU 41 HB1 GLU 41 38.075 20.189 7.801
329 HG2 GLU 41 HG2 GLU 41 37.498 21.663 9.719
330 HG3 GLU 41 HG1 GLU 41 38.414 20.585 10.765
331 H ARG 42 HN ARG 42 34.345 19.142 9.968
332 HA ARG 42 HA ARG 42 33.457 21.566 8.959
333 HB2 ARG 42 HB2 ARG 42 31.776 20.667 7.377
334 HB3 ARG 42 HB1 ARG 42 33.423 20.419 6.818
335 HG2 ARG 42 HG2 ARG 42 33.323 18.089 7.570
336 HG3 ARG 42 HG1 ARG 42 31.664 18.342 8.114
337 HD2 ARG 42 HD2 ARG 42 31.645 17.268 5.962
338 HD3 ARG 42 HD1 ARG 42 31.036 18.915 5.795
339 HE ARG 42 HE ARG 42 33.662 19.174 5.220
340 HH11 ARG 42 HH11 ARG 42 31.140 17.041 4.016
341 HH12 ARG 42 HH12 ARG 42 31.852 16.885 2.447
342 HH21 ARG 42 HH21 ARG 42 34.600 18.963 3.137
343 HH22 ARG 42 HH22 ARG 42 33.820 17.979 1.948
344 H LYS 43 HN LYS 43 32.073 22.112 10.287
345 HA LYS 43 HA LYS 43 30.871 20.472 12.276
346 HB2 LYS 43 HB2 LYS 43 30.452 23.357 11.499
347 HB3 LYS 43 HB1 LYS 43 29.390 22.576 12.654
348 HG2 LYS 43 HG2 LYS 43 32.351 22.487 13.037
349 HG3 LYS 43 HG1 LYS 43 31.411 23.899 13.529
350 HD2 LYS 43 HD2 LYS 43 30.078 22.584 15.016
351 HD3 LYS 43 HD1 LYS 43 30.758 21.084 14.388
352 HE2 LYS 43 HE2 LYS 43 32.361 23.201 15.814
353 HE3 LYS 43 HE1 LYS 43 31.665 21.790 16.607
354 HZ1 LYS 43 HZ1 LYS 43 33.750 21.821 14.499
355 HZ2 LYS 43 HZ2 LYS 43 32.944 20.417 14.987
356 HZ3 LYS 43 HZ3 LYS 43 33.903 21.269 16.092
357 H ALA 44 HN ALA 44 30.055 21.054 9.089
358 HA ALA 44 HA ALA 44 27.298 21.039 8.970
359 HB1 ALA 44 HB1 ALA 44 29.163 19.576 7.090
360 HB2 ALA 44 HB2 ALA 44 28.649 21.261 6.956
361 HB3 ALA 44 HB3 ALA 44 27.477 19.965 6.772
362 H LEU 45 HN LEU 45 29.385 18.128 9.146
363 HA LEU 45 HA LEU 45 27.289 16.276 9.287
364 HB2 LEU 45 HB2 LEU 45 30.100 16.092 10.369
365 HB3 LEU 45 HB1 LEU 45 28.997 14.741 10.223
366 HG LEU 45 HG LEU 45 30.009 16.367 7.890
367 HD11 LEU 45 HD11 LEU 45 31.411 14.432 7.392
368 HD12 LEU 45 HD12 LEU 45 30.875 13.656 8.881
369 HD13 LEU 45 HD13 LEU 45 31.825 15.141 8.952
370 HD21 LEU 45 HD21 LEU 45 27.851 15.341 7.464
371 HD22 LEU 45 HD22 LEU 45 28.454 13.787 8.038
372 HD23 LEU 45 HD23 LEU 45 29.111 14.497 6.564
373 H GLU 46 HN GLU 46 28.627 18.350 11.712
374 HA GLU 46 HA GLU 46 27.587 16.776 13.901
375 HB2 GLU 46 HB2 GLU 46 28.920 19.495 13.922
376 HB3 GLU 46 HB1 GLU 46 28.542 18.524 15.338
377 HG2 GLU 46 HG2 GLU 46 30.054 16.768 14.537
378 HG3 GLU 46 HG1 GLU 46 30.446 17.756 13.133
379 H ASP 47 HN ASP 47 26.893 19.928 12.395
380 HA ASP 47 HA ASP 47 24.722 20.643 14.003
381 HB2 ASP 47 HB2 ASP 47 25.324 21.370 11.132
382 HB3 ASP 47 HB1 ASP 47 23.985 22.056 12.037
383 H LYS 48 HN LYS 48 24.846 18.006 11.981
384 HA LYS 48 HA LYS 48 22.251 18.037 10.905
385 HB2 LYS 48 HB2 LYS 48 24.101 15.713 11.505
386 HB3 LYS 48 HB1 LYS 48 22.559 15.527 10.687
387 HG2 LYS 48 HG2 LYS 48 24.772 17.296 9.682
388 HG3 LYS 48 HG1 LYS 48 24.536 15.621 9.178
389 HD2 LYS 48 HD2 LYS 48 22.309 16.178 8.346
390 HD3 LYS 48 HD1 LYS 48 22.518 17.846 8.880
391 HE2 LYS 48 HE2 LYS 48 24.281 16.461 6.870
392 HE3 LYS 48 HE1 LYS 48 22.921 17.499 6.450
393 HZ1 LYS 48 HZ1 LYS 48 24.001 19.340 7.520
394 HZ2 LYS 48 HZ2 LYS 48 25.057 18.667 6.391
395 HZ3 LYS 48 HZ3 LYS 48 25.274 18.362 8.044
396 H LEU 49 HN LEU 49 20.352 16.524 11.662
397 HA LEU 49 HA LEU 49 19.889 16.901 14.408
398 HB2 LEU 49 HB2 LEU 49 17.803 15.560 13.942
399 HB3 LEU 49 HB1 LEU 49 18.015 17.026 13.012
400 HG LEU 49 HG LEU 49 18.877 15.531 11.123
401 HD11 LEU 49 HD11 LEU 49 18.133 13.209 11.141
402 HD12 LEU 49 HD12 LEU 49 17.598 13.391 12.812
403 HD13 LEU 49 HD13 LEU 49 19.312 13.522 12.414
404 HD21 LEU 49 HD21 LEU 49 16.013 15.266 12.020
405 HD22 LEU 49 HD22 LEU 49 16.612 14.970 10.388
406 HD23 LEU 49 HD23 LEU 49 16.694 16.592 11.076
407 H ALA 50 HN ALA 50 21.878 14.693 13.087
408 HA ALA 50 HA ALA 50 21.241 12.268 14.294
409 HB1 ALA 50 HB1 ALA 50 23.605 11.706 14.038
410 HB2 ALA 50 HB2 ALA 50 23.988 13.404 13.758
411 HB3 ALA 50 HB3 ALA 50 22.997 12.521 12.597
412 H ASP 51 HN ASP 51 23.848 14.401 15.444
413 HA ASP 51 HA ASP 51 22.854 14.248 18.177
414 HB2 ASP 51 HB2 ASP 51 25.685 13.407 17.478
415 HB3 ASP 51 HB1 ASP 51 25.026 13.563 19.098
416 H TYR 52 HN TYR 52 23.616 15.943 19.431
417 HA TYR 52 HA TYR 52 25.123 17.958 17.923
418 HB2 TYR 52 HB2 TYR 52 22.869 18.307 19.887
419 HB3 TYR 52 HB1 TYR 52 23.934 19.632 19.424
420 HD1 TYR 52 HD1 TYR 52 21.182 17.492 18.391
421 HD2 TYR 52 HD2 TYR 52 23.948 20.459 17.117
422 HE1 TYR 52 HE1 TYR 52 19.810 17.908 16.394
423 HE2 TYR 52 HE2 TYR 52 22.587 20.884 15.123
424 HH TYR 52 HH TYR 52 20.937 19.676 13.746
Start of MODEL 11
1 H1 GLY 1 HT1 GLY 1 5.003 -19.340 11.511
2 H2 GLY 1 HT2 GLY 1 4.641 -20.533 10.372
3 H3 GLY 1 HT3 GLY 1 4.397 -20.829 12.018
4 HA2 GLY 1 HA1 GLY 1 2.304 -20.384 10.895
5 HA3 GLY 1 HA2 GLY 1 2.671 -19.192 12.134
6 H SER 2 HN SER 2 4.184 -19.377 8.958
7 HA SER 2 HA SER 2 3.514 -16.630 8.483
8 HB2 SER 2 HB2 SER 2 4.816 -17.060 6.342
9 HB3 SER 2 HB1 SER 2 5.710 -17.300 7.844
10 HG SER 2 HG SER 2 4.476 -19.315 6.269
11 H VAL 3 HN VAL 3 1.343 -16.476 8.122
12 HA VAL 3 HA VAL 3 -0.050 -18.239 6.369
13 HB VAL 3 HB VAL 3 -1.926 -16.621 6.560
14 HG11 VAL 3 HG11 VAL 3 -2.275 -16.891 8.987
15 HG12 VAL 3 HG12 VAL 3 -0.587 -17.367 9.157
16 HG13 VAL 3 HG13 VAL 3 -1.696 -18.367 8.219
17 HG21 VAL 3 HG21 VAL 3 -0.630 -14.549 6.683
18 HG22 VAL 3 HG22 VAL 3 0.004 -15.031 8.257
19 HG23 VAL 3 HG23 VAL 3 -1.716 -14.693 8.066
20 H GLU 4 HN GLU 4 1.595 -15.249 6.072
21 HA GLU 4 HA GLU 4 2.248 -13.929 4.307
22 HB2 GLU 4 HB2 GLU 4 1.687 -16.388 2.640
23 HB3 GLU 4 HB1 GLU 4 2.690 -15.019 2.189
24 HG2 GLU 4 HG2 GLU 4 3.248 -16.961 4.424
25 HG3 GLU 4 HG1 GLU 4 4.044 -16.925 2.853
26 H LYS 5 HN LYS 5 0.048 -12.867 4.849
27 HA LYS 5 HA LYS 5 -1.729 -12.976 2.518
28 HB2 LYS 5 HB2 LYS 5 -2.583 -12.953 5.420
29 HB3 LYS 5 HB1 LYS 5 -3.668 -12.672 4.069
30 HG2 LYS 5 HG2 LYS 5 -3.027 -14.958 3.226
31 HG3 LYS 5 HG1 LYS 5 -2.206 -15.204 4.766
32 HD2 LYS 5 HD2 LYS 5 -5.128 -14.510 4.459
33 HD3 LYS 5 HD1 LYS 5 -4.504 -16.137 4.725
34 HE2 LYS 5 HE2 LYS 5 -3.617 -15.493 6.873
35 HE3 LYS 5 HE1 LYS 5 -4.056 -13.811 6.593
36 HZ1 LYS 5 HZ1 LYS 5 -6.000 -16.044 6.767
37 HZ2 LYS 5 HZ2 LYS 5 -6.357 -14.393 6.658
38 HZ3 LYS 5 HZ3 LYS 5 -5.611 -15.010 8.045
39 H LEU 6 HN LEU 6 0.381 -11.172 3.004
40 HA LEU 6 HA LEU 6 0.864 -8.957 2.955
41 HB2 LEU 6 HB2 LEU 6 -2.138 -8.590 2.904
42 HB3 LEU 6 HB1 LEU 6 -0.966 -7.317 2.628
43 HG LEU 6 HG LEU 6 -1.402 -9.739 0.877
44 HD11 LEU 6 HD11 LEU 6 -1.995 -6.823 0.416
45 HD12 LEU 6 HD12 LEU 6 -3.185 -8.089 0.717
46 HD13 LEU 6 HD13 LEU 6 -2.213 -8.123 -0.755
47 HD21 LEU 6 HD21 LEU 6 0.491 -7.411 0.557
48 HD22 LEU 6 HD22 LEU 6 0.183 -8.655 -0.652
49 HD23 LEU 6 HD23 LEU 6 0.943 -9.086 0.877
50 H THR 7 HN THR 7 0.527 -10.438 5.459
51 HA THR 7 HA THR 7 0.289 -8.224 7.165
52 HB THR 7 HB THR 7 -1.861 -9.348 7.416
53 HG1 THR 7 HG1 THR 7 -1.074 -8.709 9.388
54 HG21 THR 7 HG21 THR 7 -2.048 -11.716 8.011
55 HG22 THR 7 HG22 THR 7 -0.297 -11.889 7.904
56 HG23 THR 7 HG23 THR 7 -1.236 -11.523 6.458
57 H ALA 8 HN ALA 8 1.609 -8.777 9.090
58 HA ALA 8 HA ALA 8 3.429 -9.516 10.242
59 HB1 ALA 8 HB1 ALA 8 3.332 -11.961 8.468
60 HB2 ALA 8 HB2 ALA 8 2.527 -11.799 10.029
61 HB3 ALA 8 HB3 ALA 8 4.288 -11.781 9.938
62 H ASP 9 HN ASP 9 3.489 -9.776 6.814
63 HA ASP 9 HA ASP 9 6.265 -9.578 6.363
64 HB2 ASP 9 HB2 ASP 9 4.104 -8.470 4.557
65 HB3 ASP 9 HB1 ASP 9 5.728 -8.961 4.098
66 H ALA 10 HN ALA 10 3.711 -7.179 6.633
67 HA ALA 10 HA ALA 10 5.232 -4.892 6.164
68 HB1 ALA 10 HB1 ALA 10 3.466 -3.642 7.280
69 HB2 ALA 10 HB2 ALA 10 2.804 -5.126 7.952
70 HB3 ALA 10 HB3 ALA 10 2.778 -4.854 6.205
71 H GLU 11 HN GLU 11 4.904 -6.838 9.067
72 HA GLU 11 HA GLU 11 6.019 -4.864 10.814
73 HB2 GLU 11 HB2 GLU 11 4.575 -6.623 11.717
74 HB3 GLU 11 HB1 GLU 11 5.706 -7.861 11.185
75 HG2 GLU 11 HG2 GLU 11 7.334 -7.151 12.750
76 HG3 GLU 11 HG1 GLU 11 6.395 -5.718 13.163
77 H LEU 12 HN LEU 12 7.236 -7.735 9.204
78 HA LEU 12 HA LEU 12 9.910 -7.426 10.130
79 HB2 LEU 12 HB2 LEU 12 10.564 -9.082 8.437
80 HB3 LEU 12 HB1 LEU 12 9.177 -9.608 9.356
81 HG LEU 12 HG LEU 12 7.818 -8.725 7.272
82 HD11 LEU 12 HD11 LEU 12 10.488 -9.255 6.020
83 HD12 LEU 12 HD12 LEU 12 9.706 -7.678 6.160
84 HD13 LEU 12 HD13 LEU 12 8.965 -8.944 5.183
85 HD21 LEU 12 HD21 LEU 12 8.014 -10.933 6.247
86 HD22 LEU 12 HD22 LEU 12 7.868 -11.029 8.001
87 HD23 LEU 12 HD23 LEU 12 9.440 -11.256 7.233
88 H GLN 13 HN GLN 13 8.124 -6.116 7.492
89 HA GLN 13 HA GLN 13 10.308 -5.032 6.026
90 HB2 GLN 13 HB2 GLN 13 8.078 -5.259 5.005
91 HB3 GLN 13 HB1 GLN 13 7.424 -4.091 6.147
92 HG2 GLN 13 HG2 GLN 13 8.924 -2.381 5.198
93 HG3 GLN 13 HG1 GLN 13 9.464 -3.560 4.003
94 HE21 GLN 13 HE21 GLN 13 8.095 -1.004 3.648
95 HE22 GLN 13 HE22 GLN 13 6.644 -1.360 2.776
96 H ARG 14 HN ARG 14 8.114 -3.663 8.463
97 HA ARG 14 HA ARG 14 9.316 -1.118 8.590
98 HB2 ARG 14 HB2 ARG 14 7.753 -2.638 10.696
99 HB3 ARG 14 HB1 ARG 14 8.251 -0.964 10.862
100 HG2 ARG 14 HG2 ARG 14 6.461 -2.005 8.679
101 HG3 ARG 14 HG1 ARG 14 5.908 -1.215 10.156
102 HD2 ARG 14 HD2 ARG 14 7.716 0.010 8.076
103 HD3 ARG 14 HD1 ARG 14 5.994 0.333 8.253
104 HE ARG 14 HE ARG 14 6.840 0.999 10.667
105 HH11 ARG 14 HH11 ARG 14 8.255 1.746 7.550
106 HH12 ARG 14 HH12 ARG 14 8.923 3.253 8.073
107 HH21 ARG 14 HH21 ARG 14 7.721 2.991 11.361
108 HH22 ARG 14 HH22 ARG 14 8.629 3.961 10.251
109 H LEU 15 HN LEU 15 9.836 -4.045 10.467
110 HA LEU 15 HA LEU 15 11.723 -3.109 12.295
111 HB2 LEU 15 HB2 LEU 15 10.659 -5.342 12.376
112 HB3 LEU 15 HB1 LEU 15 11.624 -5.839 11.001
113 HG LEU 15 HG LEU 15 13.669 -5.469 12.403
114 HD11 LEU 15 HD11 LEU 15 11.637 -5.189 14.609
115 HD12 LEU 15 HD12 LEU 15 12.735 -3.935 14.033
116 HD13 LEU 15 HD13 LEU 15 13.377 -5.369 14.831
117 HD21 LEU 15 HD21 LEU 15 12.750 -7.695 12.051
118 HD22 LEU 15 HD22 LEU 15 11.652 -7.471 13.413
119 HD23 LEU 15 HD23 LEU 15 13.392 -7.538 13.685
120 H LYS 16 HN LYS 16 12.153 -4.274 9.022
121 HA LYS 16 HA LYS 16 15.026 -4.046 9.112
122 HB2 LYS 16 HB2 LYS 16 13.929 -5.715 7.644
123 HB3 LYS 16 HB1 LYS 16 13.247 -4.411 6.681
124 HG2 LYS 16 HG2 LYS 16 15.537 -3.672 6.131
125 HG3 LYS 16 HG1 LYS 16 16.166 -5.058 7.021
126 HD2 LYS 16 HD2 LYS 16 14.355 -5.179 4.607
127 HD3 LYS 16 HD1 LYS 16 16.088 -5.495 4.611
128 HE2 LYS 16 HE2 LYS 16 15.705 -7.360 6.189
129 HE3 LYS 16 HE1 LYS 16 13.971 -7.066 6.078
130 HZ1 LYS 16 HZ1 LYS 16 14.128 -7.510 3.681
131 HZ2 LYS 16 HZ2 LYS 16 14.587 -8.837 4.615
132 HZ3 LYS 16 HZ3 LYS 16 15.767 -7.890 3.867
133 H ASN 17 HN ASN 17 12.408 -2.218 7.534
134 HA ASN 17 HA ASN 17 14.013 -0.316 6.247
135 HB2 ASN 17 HB2 ASN 17 11.556 -0.635 5.811
136 HB3 ASN 17 HB1 ASN 17 11.227 0.193 7.332
137 HD21 ASN 17 HD21 ASN 17 11.526 2.422 7.453
138 HD22 ASN 17 HD22 ASN 17 11.780 3.394 6.049
139 H GLU 18 HN GLU 18 12.520 -0.216 9.459
140 HA GLU 18 HA GLU 18 13.393 2.362 10.118
141 HB2 GLU 18 HB2 GLU 18 12.688 -0.002 11.850
142 HB3 GLU 18 HB1 GLU 18 13.080 1.581 12.503
143 HG2 GLU 18 HG2 GLU 18 11.195 2.557 11.310
144 HG3 GLU 18 HG1 GLU 18 10.815 0.985 10.609
145 H ARG 19 HN ARG 19 14.996 -0.774 10.340
146 HA ARG 19 HA ARG 19 17.149 0.249 11.892
147 HB2 ARG 19 HB2 ARG 19 16.638 -2.198 11.791
148 HB3 ARG 19 HB1 ARG 19 17.253 -2.218 10.141
149 HG2 ARG 19 HG2 ARG 19 18.961 -3.005 11.655
150 HG3 ARG 19 HG1 ARG 19 19.446 -1.449 10.976
151 HD2 ARG 19 HD2 ARG 19 18.376 -0.433 13.095
152 HD3 ARG 19 HD1 ARG 19 18.443 -2.063 13.737
153 HE ARG 19 HE ARG 19 20.828 -0.575 12.844
154 HH11 ARG 19 HH11 ARG 19 19.244 -2.769 15.067
155 HH12 ARG 19 HH12 ARG 19 20.574 -2.845 16.162
156 HH21 ARG 19 HH21 ARG 19 22.599 -0.618 14.313
157 HH22 ARG 19 HH22 ARG 19 22.502 -1.622 15.725
158 H HIS 20 HN HIS 20 16.489 0.163 8.479
159 HA HIS 20 HA HIS 20 19.145 0.739 7.635
160 HB2 HIS 20 HB2 HIS 20 16.487 1.239 6.271
161 HB3 HIS 20 HB1 HIS 20 18.021 1.695 5.547
162 HD1 HIS 20 HD1 HIS 20 19.738 -0.362 5.138
163 HD2 HIS 20 HD2 HIS 20 15.769 -1.361 5.844
164 HE1 HIS 20 HE1 HIS 20 19.498 -2.739 4.368
165 H GLU 21 HN GLU 21 16.433 2.772 8.578
166 HA GLU 21 HA GLU 21 17.694 5.267 8.114
167 HB2 GLU 21 HB2 GLU 21 15.651 4.610 10.232
168 HB3 GLU 21 HB1 GLU 21 15.985 6.192 9.553
169 HG2 GLU 21 HG2 GLU 21 15.110 5.485 7.411
170 HG3 GLU 21 HG1 GLU 21 14.837 3.861 8.043
171 H GLU 22 HN GLU 22 17.653 2.983 10.750
172 HA GLU 22 HA GLU 22 18.986 4.583 12.697
173 HB2 GLU 22 HB2 GLU 22 17.654 2.681 13.425
174 HB3 GLU 22 HB1 GLU 22 18.608 1.580 12.445
175 HG2 GLU 22 HG2 GLU 22 19.203 1.297 14.731
176 HG3 GLU 22 HG1 GLU 22 20.555 2.044 13.885
177 H ALA 23 HN ALA 23 20.022 2.652 9.991
178 HA ALA 23 HA ALA 23 22.702 2.283 11.004
179 HB1 ALA 23 HB1 ALA 23 21.644 0.535 9.590
180 HB2 ALA 23 HB2 ALA 23 23.149 1.145 8.912
181 HB3 ALA 23 HB3 ALA 23 21.611 1.677 8.242
182 H GLU 24 HN GLU 24 20.898 4.529 9.239
183 HA GLU 24 HA GLU 24 23.050 5.756 7.800
184 HB2 GLU 24 HB2 GLU 24 20.750 6.113 7.052
185 HB3 GLU 24 HB1 GLU 24 20.325 6.850 8.591
186 HG2 GLU 24 HG2 GLU 24 21.886 8.681 8.116
187 HG3 GLU 24 HG1 GLU 24 22.237 7.948 6.551
188 H LEU 25 HN LEU 25 21.365 6.393 10.808
189 HA LEU 25 HA LEU 25 22.947 8.597 11.605
190 HB2 LEU 25 HB2 LEU 25 21.053 6.760 13.002
191 HB3 LEU 25 HB1 LEU 25 22.107 7.762 13.977
192 HG LEU 25 HG LEU 25 21.166 9.783 12.925
193 HD11 LEU 25 HD11 LEU 25 20.542 8.876 10.756
194 HD12 LEU 25 HD12 LEU 25 19.166 9.644 11.541
195 HD13 LEU 25 HD13 LEU 25 19.292 7.888 11.517
196 HD21 LEU 25 HD21 LEU 25 20.197 8.963 14.992
197 HD22 LEU 25 HD22 LEU 25 19.105 7.918 14.086
198 HD23 LEU 25 HD23 LEU 25 18.953 9.670 13.964
199 H GLU 26 HN GLU 26 23.203 5.136 12.153
200 HA GLU 26 HA GLU 26 25.441 5.315 13.899
201 HB2 GLU 26 HB2 GLU 26 24.482 3.000 12.205
202 HB3 GLU 26 HB1 GLU 26 25.742 2.888 13.425
203 HG2 GLU 26 HG2 GLU 26 24.021 3.707 15.089
204 HG3 GLU 26 HG1 GLU 26 22.812 3.439 13.837
205 H ARG 27 HN ARG 27 25.081 4.920 10.431
206 HA ARG 27 HA ARG 27 27.810 4.579 9.764
207 HB2 ARG 27 HB2 ARG 27 26.002 4.137 8.149
208 HB3 ARG 27 HB1 ARG 27 25.581 5.844 8.135
209 HG2 ARG 27 HG2 ARG 27 27.724 6.373 7.126
210 HG3 ARG 27 HG1 ARG 27 28.173 4.666 7.171
211 HD2 ARG 27 HD2 ARG 27 27.372 5.260 4.958
212 HD3 ARG 27 HD1 ARG 27 26.255 4.138 5.733
213 HE ARG 27 HE ARG 27 25.699 7.016 5.862
214 HH11 ARG 27 HH11 ARG 27 24.824 3.823 4.686
215 HH12 ARG 27 HH12 ARG 27 23.289 4.322 4.079
216 HH21 ARG 27 HH21 ARG 27 23.643 7.679 5.068
217 HH22 ARG 27 HH22 ARG 27 22.601 6.524 4.310
218 H LEU 28 HN LEU 28 25.888 7.353 10.509
219 HA LEU 28 HA LEU 28 27.844 9.265 9.591
220 HB2 LEU 28 HB2 LEU 28 25.388 9.753 9.598
221 HB3 LEU 28 HB1 LEU 28 25.425 9.734 11.351
222 HG LEU 28 HG LEU 28 26.921 11.672 11.346
223 HD11 LEU 28 HD11 LEU 28 26.587 11.551 8.354
224 HD12 LEU 28 HD12 LEU 28 28.084 11.313 9.258
225 HD13 LEU 28 HD13 LEU 28 27.304 12.892 9.242
226 HD21 LEU 28 HD21 LEU 28 24.423 12.029 9.697
227 HD22 LEU 28 HD22 LEU 28 25.293 13.314 10.534
228 HD23 LEU 28 HD23 LEU 28 24.519 12.028 11.458
229 H LYS 29 HN LYS 29 27.272 7.415 12.425
230 HA LYS 29 HA LYS 29 28.797 9.191 14.147
231 HB2 LYS 29 HB2 LYS 29 26.894 8.086 15.185
232 HB3 LYS 29 HB1 LYS 29 27.455 6.509 14.647
233 HG2 LYS 29 HG2 LYS 29 29.489 6.853 16.074
234 HG3 LYS 29 HG1 LYS 29 28.693 8.283 16.731
235 HD2 LYS 29 HD2 LYS 29 27.489 5.519 16.767
236 HD3 LYS 29 HD1 LYS 29 28.418 6.202 18.101
237 HE2 LYS 29 HE2 LYS 29 25.921 7.436 16.943
238 HE3 LYS 29 HE1 LYS 29 25.956 6.412 18.376
239 HZ1 LYS 29 HZ1 LYS 29 25.963 8.757 18.940
240 HZ2 LYS 29 HZ2 LYS 29 27.392 8.991 18.080
241 HZ3 LYS 29 HZ3 LYS 29 27.386 8.009 19.455
242 H SER 30 HN SER 30 29.087 6.376 12.184
243 HA SER 30 HA SER 30 31.434 5.367 13.500
244 HB2 SER 30 HB2 SER 30 29.813 3.829 12.360
245 HB3 SER 30 HB1 SER 30 30.315 4.515 10.811
246 HG SER 30 HG SER 30 31.462 2.591 11.323
247 H GLU 31 HN GLU 31 30.705 7.600 11.000
248 HA GLU 31 HA GLU 31 33.171 7.511 9.629
249 HB2 GLU 31 HB2 GLU 31 31.110 8.606 8.763
250 HB3 GLU 31 HB1 GLU 31 31.315 9.870 9.967
251 HG2 GLU 31 HG2 GLU 31 32.119 10.534 7.750
252 HG3 GLU 31 HG1 GLU 31 33.395 10.551 8.967
253 H ARG 32 HN ARG 32 32.049 9.249 12.488
254 HA ARG 32 HA ARG 32 34.533 10.694 12.731
255 HB2 ARG 32 HB2 ARG 32 31.968 10.595 14.282
256 HB3 ARG 32 HB1 ARG 32 33.401 11.333 14.986
257 HG2 ARG 32 HG2 ARG 32 33.467 13.023 13.381
258 HG3 ARG 32 HG1 ARG 32 32.405 12.146 12.281
259 HD2 ARG 32 HD2 ARG 32 31.486 13.084 14.981
260 HD3 ARG 32 HD1 ARG 32 31.409 14.123 13.557
261 HE ARG 32 HE ARG 32 30.174 11.891 12.711
262 HH11 ARG 32 HH11 ARG 32 29.721 13.864 15.583
263 HH12 ARG 32 HH12 ARG 32 28.029 13.531 15.704
264 HH21 ARG 32 HH21 ARG 32 27.956 11.441 12.876
265 HH22 ARG 32 HH22 ARG 32 27.012 12.148 14.144
266 H HIS 33 HN HIS 33 32.890 7.964 14.207
267 HA HIS 33 HA HIS 33 34.851 7.454 16.207
268 HB2 HIS 33 HB2 HIS 33 32.584 6.563 16.421
269 HB3 HIS 33 HB1 HIS 33 32.768 5.652 14.931
270 HD1 HIS 33 HD1 HIS 33 33.767 5.618 18.555
271 HD2 HIS 33 HD2 HIS 33 34.088 3.211 15.182
272 HE1 HIS 33 HE1 HIS 33 34.574 3.396 19.391
273 H ASP 34 HN ASP 34 34.797 7.057 12.860
274 HA ASP 34 HA ASP 34 36.494 4.778 12.616
275 HB2 ASP 34 HB2 ASP 34 35.021 5.504 10.758
276 HB3 ASP 34 HB1 ASP 34 35.990 6.964 10.574
277 H HIS 35 HN HIS 35 37.071 7.973 13.548
278 HA HIS 35 HA HIS 35 39.635 8.397 12.470
279 HB2 HIS 35 HB2 HIS 35 38.225 10.152 13.624
280 HB3 HIS 35 HB1 HIS 35 38.637 9.395 15.160
281 HD2 HIS 35 HD2 HIS 35 41.321 9.817 15.993
282 HE1 HIS 35 HE1 HIS 35 42.111 12.810 13.098
283 HE2 HIS 35 HE2 HIS 35 42.830 11.789 15.277
284 H ASP 36 HN ASP 36 38.526 6.355 15.017
285 HA ASP 36 HA ASP 36 41.167 6.031 16.169
286 HB2 ASP 36 HB2 ASP 36 38.556 4.655 16.829
287 HB3 ASP 36 HB1 ASP 36 40.070 4.407 17.689
288 H LYS 37 HN LYS 37 38.944 4.133 14.161
289 HA LYS 37 HA LYS 37 40.866 1.940 14.167
290 HB2 LYS 37 HB2 LYS 37 39.184 0.547 13.194
291 HB3 LYS 37 HB1 LYS 37 38.434 1.457 14.489
292 HG2 LYS 37 HG2 LYS 37 37.570 3.032 12.705
293 HG3 LYS 37 HG1 LYS 37 38.118 1.842 11.523
294 HD2 LYS 37 HD2 LYS 37 36.753 0.164 12.988
295 HD3 LYS 37 HD1 LYS 37 35.943 1.617 13.573
296 HE2 LYS 37 HE2 LYS 37 36.114 0.667 10.711
297 HE3 LYS 37 HE1 LYS 37 34.687 0.642 11.742
298 HZ1 LYS 37 HZ1 LYS 37 34.665 2.483 10.179
299 HZ2 LYS 37 HZ2 LYS 37 36.111 3.084 10.808
300 HZ3 LYS 37 HZ3 LYS 37 34.707 3.057 11.768
301 H LYS 38 HN LYS 38 39.640 4.397 12.028
302 HA LYS 38 HA LYS 38 40.270 5.162 10.002
303 HB2 LYS 38 HB2 LYS 38 42.882 3.842 10.733
304 HB3 LYS 38 HB1 LYS 38 42.664 5.039 9.466
305 HG2 LYS 38 HG2 LYS 38 41.997 6.689 11.141
306 HG3 LYS 38 HG1 LYS 38 42.222 5.483 12.411
307 HD2 LYS 38 HD2 LYS 38 44.585 5.281 11.789
308 HD3 LYS 38 HD1 LYS 38 44.356 6.498 10.536
309 HE2 LYS 38 HE2 LYS 38 45.357 7.498 12.498
310 HE3 LYS 38 HE1 LYS 38 43.731 8.131 12.257
311 HZ1 LYS 38 HZ1 LYS 38 44.346 5.907 14.113
312 HZ2 LYS 38 HZ2 LYS 38 42.905 6.798 14.004
313 HZ3 LYS 38 HZ3 LYS 38 44.312 7.529 14.584
314 H GLU 39 HN GLU 39 38.990 2.554 9.965
315 HA GLU 39 HA GLU 39 39.747 1.780 7.314
316 HB2 GLU 39 HB2 GLU 39 41.435 0.542 8.556
317 HB3 GLU 39 HB1 GLU 39 40.187 -0.191 9.555
318 HG2 GLU 39 HG2 GLU 39 39.256 -1.282 7.574
319 HG3 GLU 39 HG1 GLU 39 40.530 -0.568 6.592
320 H ALA 40 HN ALA 40 37.979 1.319 6.271
321 HA ALA 40 HA ALA 40 35.930 0.612 5.702
322 HB1 ALA 40 HB1 ALA 40 36.787 -1.568 6.452
323 HB2 ALA 40 HB2 ALA 40 35.053 -1.418 6.722
324 HB3 ALA 40 HB3 ALA 40 36.173 -1.243 8.072
325 H GLU 41 HN GLU 41 33.681 -0.203 7.229
326 HA GLU 41 HA GLU 41 33.133 2.294 8.684
327 HB2 GLU 41 HB2 GLU 41 31.942 2.102 6.529
328 HB3 GLU 41 HB1 GLU 41 31.203 0.606 7.083
329 HG2 GLU 41 HG2 GLU 41 30.170 1.895 8.946
330 HG3 GLU 41 HG1 GLU 41 30.789 3.366 8.195
331 H ARG 42 HN ARG 42 32.301 -1.167 8.468
332 HA ARG 42 HA ARG 42 32.202 -1.555 11.210
333 HB2 ARG 42 HB2 ARG 42 29.699 -0.831 9.828
334 HB3 ARG 42 HB1 ARG 42 29.624 -2.304 10.775
335 HG2 ARG 42 HG2 ARG 42 30.407 -1.024 12.744
336 HG3 ARG 42 HG1 ARG 42 30.339 0.446 11.764
337 HD2 ARG 42 HD2 ARG 42 27.987 0.160 11.407
338 HD3 ARG 42 HD1 ARG 42 28.013 -1.405 12.207
339 HE ARG 42 HE ARG 42 28.938 0.481 14.029
340 HH11 ARG 42 HH11 ARG 42 26.016 -0.228 12.250
341 HH12 ARG 42 HH12 ARG 42 24.944 0.370 13.472
342 HH21 ARG 42 HH21 ARG 42 27.554 1.277 15.675
343 HH22 ARG 42 HH22 ARG 42 25.833 1.236 15.446
344 H LYS 43 HN LYS 43 32.766 -3.498 11.321
345 HA LYS 43 HA LYS 43 32.651 -5.367 9.155
346 HB2 LYS 43 HB2 LYS 43 33.639 -6.978 10.787
347 HB3 LYS 43 HB1 LYS 43 34.547 -5.482 10.627
348 HG2 LYS 43 HG2 LYS 43 33.539 -4.656 12.700
349 HG3 LYS 43 HG1 LYS 43 32.647 -6.167 12.859
350 HD2 LYS 43 HD2 LYS 43 34.705 -7.409 13.065
351 HD3 LYS 43 HD1 LYS 43 35.653 -5.954 12.752
352 HE2 LYS 43 HE2 LYS 43 33.808 -6.362 15.105
353 HE3 LYS 43 HE1 LYS 43 35.564 -6.528 15.149
354 HZ1 LYS 43 HZ1 LYS 43 34.868 -4.361 15.947
355 HZ2 LYS 43 HZ2 LYS 43 34.072 -4.042 14.499
356 HZ3 LYS 43 HZ3 LYS 43 35.756 -4.201 14.522
357 H ALA 44 HN ALA 44 30.662 -4.614 11.847
358 HA ALA 44 HA ALA 44 29.335 -7.009 12.350
359 HB1 ALA 44 HB1 ALA 44 28.141 -4.231 12.447
360 HB2 ALA 44 HB2 ALA 44 29.015 -5.035 13.757
361 HB3 ALA 44 HB3 ALA 44 27.473 -5.672 13.204
362 H LEU 45 HN LEU 45 28.642 -4.596 9.853
363 HA LEU 45 HA LEU 45 26.303 -5.908 8.910
364 HB2 LEU 45 HB2 LEU 45 28.068 -3.805 7.649
365 HB3 LEU 45 HB1 LEU 45 26.686 -4.486 6.828
366 HG LEU 45 HG LEU 45 25.237 -3.657 8.699
367 HD11 LEU 45 HD11 LEU 45 27.731 -2.184 9.520
368 HD12 LEU 45 HD12 LEU 45 26.926 -3.458 10.434
369 HD13 LEU 45 HD13 LEU 45 26.111 -1.918 10.164
370 HD21 LEU 45 HD21 LEU 45 25.408 -2.456 6.594
371 HD22 LEU 45 HD22 LEU 45 26.831 -1.595 7.184
372 HD23 LEU 45 HD23 LEU 45 25.262 -1.329 7.943
373 H GLU 46 HN GLU 46 29.711 -6.007 7.950
374 HA GLU 46 HA GLU 46 29.371 -7.500 5.592
375 HB2 GLU 46 HB2 GLU 46 31.763 -7.322 7.433
376 HB3 GLU 46 HB1 GLU 46 31.777 -7.959 5.797
377 HG2 GLU 46 HG2 GLU 46 31.056 -5.135 6.529
378 HG3 GLU 46 HG1 GLU 46 32.637 -5.664 5.955
379 H ASP 47 HN ASP 47 29.835 -8.402 8.943
380 HA ASP 47 HA ASP 47 30.065 -11.206 8.308
381 HB2 ASP 47 HB2 ASP 47 29.831 -9.774 10.963
382 HB3 ASP 47 HB1 ASP 47 29.937 -11.521 10.806
383 H LYS 48 HN LYS 48 27.577 -9.026 9.390
384 HA LYS 48 HA LYS 48 25.651 -10.913 10.145
385 HB2 LYS 48 HB2 LYS 48 25.279 -8.585 10.678
386 HB3 LYS 48 HB1 LYS 48 25.194 -8.154 8.974
387 HG2 LYS 48 HG2 LYS 48 23.158 -9.394 8.712
388 HG3 LYS 48 HG1 LYS 48 23.275 -9.999 10.363
389 HD2 LYS 48 HD2 LYS 48 23.007 -7.744 11.228
390 HD3 LYS 48 HD1 LYS 48 22.958 -7.102 9.583
391 HE2 LYS 48 HE2 LYS 48 20.712 -7.366 10.606
392 HE3 LYS 48 HE1 LYS 48 20.923 -8.290 9.120
393 HZ1 LYS 48 HZ1 LYS 48 19.820 -9.610 10.812
394 HZ2 LYS 48 HZ2 LYS 48 21.107 -9.387 11.877
395 HZ3 LYS 48 HZ3 LYS 48 21.332 -10.269 10.459
396 H LEU 49 HN LEU 49 25.923 -9.302 6.918
397 HA LEU 49 HA LEU 49 24.012 -11.034 5.773
398 HB2 LEU 49 HB2 LEU 49 24.795 -10.066 3.611
399 HB3 LEU 49 HB1 LEU 49 24.281 -8.893 4.800
400 HG LEU 49 HG LEU 49 26.784 -8.600 5.330
401 HD11 LEU 49 HD11 LEU 49 27.617 -10.566 4.170
402 HD12 LEU 49 HD12 LEU 49 28.314 -9.094 3.494
403 HD13 LEU 49 HD13 LEU 49 27.020 -9.932 2.636
404 HD21 LEU 49 HD21 LEU 49 27.047 -6.991 3.518
405 HD22 LEU 49 HD22 LEU 49 25.422 -6.930 4.199
406 HD23 LEU 49 HD23 LEU 49 25.701 -7.734 2.656
407 H ALA 50 HN ALA 50 26.812 -11.967 6.928
408 HA ALA 50 HA ALA 50 27.409 -13.807 4.716
409 HB1 ALA 50 HB1 ALA 50 29.656 -14.025 5.670
410 HB2 ALA 50 HB2 ALA 50 29.228 -12.884 6.946
411 HB3 ALA 50 HB3 ALA 50 29.295 -12.346 5.267
412 H ASP 51 HN ASP 51 28.484 -15.871 5.719
413 HA ASP 51 HA ASP 51 27.187 -16.625 8.221
414 HB2 ASP 51 HB2 ASP 51 25.606 -17.287 6.463
415 HB3 ASP 51 HB1 ASP 51 26.878 -18.195 5.657
416 H TYR 52 HN TYR 52 28.528 -17.720 9.487
417 HA TYR 52 HA TYR 52 31.111 -18.466 8.514
418 HB2 TYR 52 HB2 TYR 52 29.828 -18.828 11.229
419 HB3 TYR 52 HB1 TYR 52 31.507 -19.181 10.859
420 HD1 TYR 52 HD1 TYR 52 29.274 -16.756 12.085
421 HD2 TYR 52 HD2 TYR 52 32.873 -17.169 9.852
422 HE1 TYR 52 HE1 TYR 52 29.871 -14.434 12.625
423 HE2 TYR 52 HE2 TYR 52 33.478 -14.847 10.388
424 HH TYR 52 HH TYR 52 32.308 -12.740 11.027
Start of MODEL 12
1 H1 GLY 1 HT1 GLY 1 -4.846 -19.321 13.793
2 H2 GLY 1 HT2 GLY 1 -4.387 -19.057 15.395
3 H3 GLY 1 HT3 GLY 1 -3.244 -18.931 14.156
4 HA2 GLY 1 HA1 GLY 1 -5.588 -17.166 14.506
5 HA3 GLY 1 HA2 GLY 1 -3.937 -16.759 14.952
6 H SER 2 HN SER 2 -6.201 -16.285 12.672
7 HA SER 2 HA SER 2 -4.640 -16.500 10.283
8 HB2 SER 2 HB2 SER 2 -7.119 -16.624 10.302
9 HB3 SER 2 HB1 SER 2 -7.181 -14.935 10.795
10 HG SER 2 HG SER 2 -7.430 -14.979 8.608
11 H VAL 3 HN VAL 3 -5.130 -14.132 12.739
12 HA VAL 3 HA VAL 3 -4.447 -11.774 11.464
13 HB VAL 3 HB VAL 3 -3.547 -10.978 13.684
14 HG11 VAL 3 HG11 VAL 3 -5.870 -10.674 13.080
15 HG12 VAL 3 HG12 VAL 3 -5.740 -11.063 14.795
16 HG13 VAL 3 HG13 VAL 3 -6.258 -12.296 13.647
17 HG21 VAL 3 HG21 VAL 3 -2.696 -13.095 14.538
18 HG22 VAL 3 HG22 VAL 3 -4.326 -13.765 14.553
19 HG23 VAL 3 HG23 VAL 3 -3.909 -12.437 15.636
20 H GLU 4 HN GLU 4 -2.191 -14.241 12.778
21 HA GLU 4 HA GLU 4 0.147 -12.815 12.329
22 HB2 GLU 4 HB2 GLU 4 -0.210 -15.807 12.250
23 HB3 GLU 4 HB1 GLU 4 1.273 -14.928 12.600
24 HG2 GLU 4 HG2 GLU 4 -1.217 -14.962 14.293
25 HG3 GLU 4 HG1 GLU 4 0.290 -15.813 14.624
26 H LYS 5 HN LYS 5 -1.984 -13.973 10.038
27 HA LYS 5 HA LYS 5 0.143 -14.122 8.009
28 HB2 LYS 5 HB2 LYS 5 -1.257 -16.154 8.177
29 HB3 LYS 5 HB1 LYS 5 -2.688 -15.186 7.856
30 HG2 LYS 5 HG2 LYS 5 -1.863 -14.653 5.640
31 HG3 LYS 5 HG1 LYS 5 -0.378 -15.548 5.958
32 HD2 LYS 5 HD2 LYS 5 -1.660 -17.605 6.204
33 HD3 LYS 5 HD1 LYS 5 -3.159 -16.716 5.935
34 HE2 LYS 5 HE2 LYS 5 -2.407 -16.122 3.686
35 HE3 LYS 5 HE1 LYS 5 -0.894 -16.984 3.961
36 HZ1 LYS 5 HZ1 LYS 5 -2.141 -19.031 4.198
37 HZ2 LYS 5 HZ2 LYS 5 -2.476 -18.317 2.704
38 HZ3 LYS 5 HZ3 LYS 5 -3.596 -18.207 3.957
39 H LEU 6 HN LEU 6 -3.062 -12.830 8.725
40 HA LEU 6 HA LEU 6 -3.325 -11.185 6.456
41 HB2 LEU 6 HB2 LEU 6 -4.516 -10.838 9.208
42 HB3 LEU 6 HB1 LEU 6 -5.044 -10.004 7.763
43 HG LEU 6 HG LEU 6 -5.178 -12.996 8.133
44 HD11 LEU 6 HD11 LEU 6 -7.570 -12.667 8.445
45 HD12 LEU 6 HD12 LEU 6 -7.345 -10.920 8.375
46 HD13 LEU 6 HD13 LEU 6 -6.648 -11.846 9.704
47 HD21 LEU 6 HD21 LEU 6 -6.386 -11.175 6.055
48 HD22 LEU 6 HD22 LEU 6 -6.627 -12.918 6.173
49 HD23 LEU 6 HD23 LEU 6 -5.029 -12.270 5.803
50 H THR 7 HN THR 7 -1.488 -10.778 9.369
51 HA THR 7 HA THR 7 -0.615 -8.201 8.460
52 HB THR 7 HB THR 7 -0.744 -7.411 10.914
53 HG1 THR 7 HG1 THR 7 -1.734 -9.791 11.269
54 HG21 THR 7 HG21 THR 7 -3.300 -7.711 9.326
55 HG22 THR 7 HG22 THR 7 -2.096 -6.442 9.110
56 HG23 THR 7 HG23 THR 7 -3.015 -6.539 10.612
57 H ALA 8 HN ALA 8 1.488 -9.096 8.199
58 HA ALA 8 HA ALA 8 3.056 -9.470 10.589
59 HB1 ALA 8 HB1 ALA 8 2.251 -11.750 10.173
60 HB2 ALA 8 HB2 ALA 8 3.991 -11.630 9.908
61 HB3 ALA 8 HB3 ALA 8 2.889 -11.678 8.532
62 H ASP 9 HN ASP 9 2.877 -9.545 7.075
63 HA ASP 9 HA ASP 9 5.597 -9.152 6.504
64 HB2 ASP 9 HB2 ASP 9 3.236 -8.177 4.877
65 HB3 ASP 9 HB1 ASP 9 4.873 -8.436 4.290
66 H ALA 10 HN ALA 10 2.960 -6.918 7.059
67 HA ALA 10 HA ALA 10 4.199 -4.495 6.531
68 HB1 ALA 10 HB1 ALA 10 1.796 -4.670 7.025
69 HB2 ALA 10 HB2 ALA 10 2.574 -3.445 8.020
70 HB3 ALA 10 HB3 ALA 10 2.171 -5.011 8.717
71 H GLU 11 HN GLU 11 4.448 -6.479 9.446
72 HA GLU 11 HA GLU 11 5.776 -4.422 10.950
73 HB2 GLU 11 HB2 GLU 11 5.414 -7.374 11.510
74 HB3 GLU 11 HB1 GLU 11 6.204 -6.250 12.605
75 HG2 GLU 11 HG2 GLU 11 3.348 -6.077 11.673
76 HG3 GLU 11 HG1 GLU 11 3.898 -6.638 13.252
77 H LEU 12 HN LEU 12 6.781 -7.402 9.350
78 HA LEU 12 HA LEU 12 9.521 -7.099 9.957
79 HB2 LEU 12 HB2 LEU 12 9.985 -8.758 8.215
80 HB3 LEU 12 HB1 LEU 12 8.681 -9.267 9.258
81 HG LEU 12 HG LEU 12 7.145 -8.377 7.320
82 HD11 LEU 12 HD11 LEU 12 8.895 -7.307 6.031
83 HD12 LEU 12 HD12 LEU 12 8.100 -8.588 5.120
84 HD13 LEU 12 HD13 LEU 12 9.698 -8.865 5.818
85 HD21 LEU 12 HD21 LEU 12 7.227 -10.576 6.263
86 HD22 LEU 12 HD22 LEU 12 7.293 -10.700 8.022
87 HD23 LEU 12 HD23 LEU 12 8.761 -10.904 7.068
88 H GLN 13 HN GLN 13 7.515 -5.675 7.545
89 HA GLN 13 HA GLN 13 9.620 -4.674 5.885
90 HB2 GLN 13 HB2 GLN 13 7.269 -4.900 5.079
91 HB3 GLN 13 HB1 GLN 13 6.788 -3.621 6.189
92 HG2 GLN 13 HG2 GLN 13 8.264 -2.066 4.994
93 HG3 GLN 13 HG1 GLN 13 8.676 -3.355 3.864
94 HE21 GLN 13 HE21 GLN 13 7.849 -2.261 2.105
95 HE22 GLN 13 HE22 GLN 13 6.151 -2.042 1.861
96 H ARG 14 HN ARG 14 7.793 -3.438 8.630
97 HA ARG 14 HA ARG 14 8.865 -0.815 8.628
98 HB2 ARG 14 HB2 ARG 14 7.726 -2.465 10.901
99 HB3 ARG 14 HB1 ARG 14 8.143 -0.766 11.023
100 HG2 ARG 14 HG2 ARG 14 6.459 -0.154 9.462
101 HG3 ARG 14 HG1 ARG 14 6.145 -1.842 9.054
102 HD2 ARG 14 HD2 ARG 14 4.435 -0.942 10.558
103 HD3 ARG 14 HD1 ARG 14 5.336 -2.256 11.310
104 HE ARG 14 HE ARG 14 6.445 0.297 11.940
105 HH11 ARG 14 HH11 ARG 14 3.913 -1.982 12.799
106 HH12 ARG 14 HH12 ARG 14 3.713 -1.339 14.395
107 HH21 ARG 14 HH21 ARG 14 6.192 1.127 14.066
108 HH22 ARG 14 HH22 ARG 14 5.005 0.432 15.118
109 H LEU 15 HN LEU 15 9.786 -3.796 10.295
110 HA LEU 15 HA LEU 15 11.950 -2.740 11.750
111 HB2 LEU 15 HB2 LEU 15 10.910 -4.894 12.268
112 HB3 LEU 15 HB1 LEU 15 11.472 -5.547 10.743
113 HG LEU 15 HG LEU 15 13.810 -5.271 11.520
114 HD11 LEU 15 HD11 LEU 15 14.223 -4.875 13.904
115 HD12 LEU 15 HD12 LEU 15 12.509 -4.529 14.137
116 HD13 LEU 15 HD13 LEU 15 13.492 -3.476 13.117
117 HD21 LEU 15 HD21 LEU 15 12.678 -7.414 11.738
118 HD22 LEU 15 HD22 LEU 15 12.023 -6.925 13.301
119 HD23 LEU 15 HD23 LEU 15 13.762 -7.144 13.104
120 H LYS 16 HN LYS 16 11.617 -3.817 8.479
121 HA LYS 16 HA LYS 16 14.395 -4.096 7.901
122 HB2 LYS 16 HB2 LYS 16 12.574 -5.117 6.507
123 HB3 LYS 16 HB1 LYS 16 12.158 -3.504 5.939
124 HG2 LYS 16 HG2 LYS 16 14.286 -3.285 4.860
125 HG3 LYS 16 HG1 LYS 16 14.834 -4.815 5.547
126 HD2 LYS 16 HD2 LYS 16 13.033 -5.974 4.331
127 HD3 LYS 16 HD1 LYS 16 12.567 -4.437 3.600
128 HE2 LYS 16 HE2 LYS 16 14.743 -4.255 2.541
129 HE3 LYS 16 HE1 LYS 16 15.268 -5.745 3.325
130 HZ1 LYS 16 HZ1 LYS 16 13.532 -6.927 2.116
131 HZ2 LYS 16 HZ2 LYS 16 14.606 -6.170 1.061
132 HZ3 LYS 16 HZ3 LYS 16 13.079 -5.500 1.334
133 H ASN 17 HN ASN 17 12.074 -1.464 7.545
134 HA ASN 17 HA ASN 17 13.902 0.390 6.420
135 HB2 ASN 17 HB2 ASN 17 11.362 0.866 8.006
136 HB3 ASN 17 HB1 ASN 17 12.289 2.145 7.239
137 HD21 ASN 17 HD21 ASN 17 12.971 0.471 4.917
138 HD22 ASN 17 HD22 ASN 17 11.528 0.392 3.975
139 H GLU 18 HN GLU 18 12.885 -0.241 9.747
140 HA GLU 18 HA GLU 18 14.411 1.754 10.997
141 HB2 GLU 18 HB2 GLU 18 13.552 -0.946 12.027
142 HB3 GLU 18 HB1 GLU 18 14.219 0.338 13.025
143 HG2 GLU 18 HG2 GLU 18 12.343 1.758 12.522
144 HG3 GLU 18 HG1 GLU 18 11.695 0.550 11.409
145 H ARG 19 HN ARG 19 15.219 -1.520 10.030
146 HA ARG 19 HA ARG 19 17.693 -1.773 11.321
147 HB2 ARG 19 HB2 ARG 19 16.580 -3.676 10.202
148 HB3 ARG 19 HB1 ARG 19 16.888 -2.936 8.635
149 HG2 ARG 19 HG2 ARG 19 18.478 -4.678 9.008
150 HG3 ARG 19 HG1 ARG 19 19.314 -3.125 9.078
151 HD2 ARG 19 HD2 ARG 19 19.191 -3.205 11.538
152 HD3 ARG 19 HD1 ARG 19 18.422 -4.787 11.431
153 HE ARG 19 HE ARG 19 20.940 -4.638 10.068
154 HH11 ARG 19 HH11 ARG 19 19.368 -5.270 13.144
155 HH12 ARG 19 HH12 ARG 19 20.708 -6.156 13.792
156 HH21 ARG 19 HH21 ARG 19 22.723 -5.793 10.935
157 HH22 ARG 19 HH22 ARG 19 22.623 -6.442 12.535
158 H HIS 20 HN HIS 20 16.963 -0.567 8.073
159 HA HIS 20 HA HIS 20 19.693 0.111 7.514
160 HB2 HIS 20 HB2 HIS 20 17.895 -0.347 5.748
161 HB3 HIS 20 HB1 HIS 20 17.296 1.277 6.082
162 HD1 HIS 20 HD1 HIS 20 19.126 3.269 5.607
163 HD2 HIS 20 HD2 HIS 20 19.915 -0.473 3.951
164 HE1 HIS 20 HE1 HIS 20 20.841 3.665 3.825
165 H GLU 21 HN GLU 21 16.985 1.749 8.904
166 HA GLU 21 HA GLU 21 17.934 4.418 8.564
167 HB2 GLU 21 HB2 GLU 21 15.566 4.005 9.008
168 HB3 GLU 21 HB1 GLU 21 15.958 3.329 10.585
169 HG2 GLU 21 HG2 GLU 21 16.672 5.448 11.395
170 HG3 GLU 21 HG1 GLU 21 16.557 6.161 9.788
171 H GLU 22 HN GLU 22 18.131 2.101 11.197
172 HA GLU 22 HA GLU 22 19.505 3.846 12.949
173 HB2 GLU 22 HB2 GLU 22 18.367 1.845 13.802
174 HB3 GLU 22 HB1 GLU 22 19.497 0.809 12.940
175 HG2 GLU 22 HG2 GLU 22 21.327 1.788 14.288
176 HG3 GLU 22 HG1 GLU 22 20.115 2.676 15.209
177 H ALA 23 HN ALA 23 20.747 1.161 10.870
178 HA ALA 23 HA ALA 23 23.411 1.501 11.480
179 HB1 ALA 23 HB1 ALA 23 22.517 -0.474 10.327
180 HB2 ALA 23 HB2 ALA 23 23.893 0.224 9.482
181 HB3 ALA 23 HB3 ALA 23 22.266 0.498 8.873
182 H GLU 24 HN GLU 24 21.473 3.341 9.165
183 HA GLU 24 HA GLU 24 23.812 4.381 7.852
184 HB2 GLU 24 HB2 GLU 24 22.295 5.844 6.612
185 HB3 GLU 24 HB1 GLU 24 21.724 4.185 6.583
186 HG2 GLU 24 HG2 GLU 24 20.097 4.751 8.347
187 HG3 GLU 24 HG1 GLU 24 20.645 6.425 8.279
188 H LEU 25 HN LEU 25 21.578 5.474 10.332
189 HA LEU 25 HA LEU 25 22.673 8.046 10.691
190 HB2 LEU 25 HB2 LEU 25 20.490 7.302 11.596
191 HB3 LEU 25 HB1 LEU 25 21.329 6.244 12.711
192 HG LEU 25 HG LEU 25 22.372 8.247 13.754
193 HD11 LEU 25 HD11 LEU 25 21.394 10.444 13.281
194 HD12 LEU 25 HD12 LEU 25 20.467 9.740 11.958
195 HD13 LEU 25 HD13 LEU 25 22.228 9.779 11.878
196 HD21 LEU 25 HD21 LEU 25 20.350 8.960 14.935
197 HD22 LEU 25 HD22 LEU 25 20.400 7.210 14.730
198 HD23 LEU 25 HD23 LEU 25 19.358 8.189 13.698
199 H GLU 26 HN GLU 26 23.205 5.040 12.332
200 HA GLU 26 HA GLU 26 25.272 5.745 14.078
201 HB2 GLU 26 HB2 GLU 26 24.946 3.106 12.640
202 HB3 GLU 26 HB1 GLU 26 26.103 3.374 13.933
203 HG2 GLU 26 HG2 GLU 26 24.112 4.061 15.360
204 HG3 GLU 26 HG1 GLU 26 23.103 3.374 14.089
205 H ARG 27 HN ARG 27 25.541 4.826 10.687
206 HA ARG 27 HA ARG 27 28.388 4.975 10.530
207 HB2 ARG 27 HB2 ARG 27 26.956 3.813 8.833
208 HB3 ARG 27 HB1 ARG 27 26.395 5.388 8.282
209 HG2 ARG 27 HG2 ARG 27 28.940 5.854 7.951
210 HG3 ARG 27 HG1 ARG 27 29.056 4.092 7.948
211 HD2 ARG 27 HD2 ARG 27 28.802 4.821 5.685
212 HD3 ARG 27 HD1 ARG 27 27.292 4.055 6.187
213 HE ARG 27 HE ARG 27 27.523 6.966 6.387
214 HH11 ARG 27 HH11 ARG 27 26.142 4.190 4.751
215 HH12 ARG 27 HH12 ARG 27 24.897 5.101 3.974
216 HH21 ARG 27 HH21 ARG 27 25.886 8.178 5.364
217 HH22 ARG 27 HH22 ARG 27 24.743 7.379 4.339
218 H LEU 28 HN LEU 28 25.878 7.307 10.497
219 HA LEU 28 HA LEU 28 27.421 9.407 9.230
220 HB2 LEU 28 HB2 LEU 28 24.966 9.326 8.954
221 HB3 LEU 28 HB1 LEU 28 24.759 9.524 10.682
222 HG LEU 28 HG LEU 28 25.752 11.768 10.527
223 HD11 LEU 28 HD11 LEU 28 27.154 11.452 8.567
224 HD12 LEU 28 HD12 LEU 28 26.047 12.804 8.327
225 HD13 LEU 28 HD13 LEU 28 25.721 11.251 7.559
226 HD21 LEU 28 HD21 LEU 28 23.421 11.290 8.677
227 HD22 LEU 28 HD22 LEU 28 23.847 12.826 9.433
228 HD23 LEU 28 HD23 LEU 28 23.334 11.465 10.428
229 H LYS 29 HN LYS 29 26.611 8.314 12.428
230 HA LYS 29 HA LYS 29 27.540 10.567 13.875
231 HB2 LYS 29 HB2 LYS 29 27.436 7.669 14.738
232 HB3 LYS 29 HB1 LYS 29 27.614 9.051 15.806
233 HG2 LYS 29 HG2 LYS 29 25.215 8.508 14.068
234 HG3 LYS 29 HG1 LYS 29 25.333 8.136 15.787
235 HD2 LYS 29 HD2 LYS 29 25.689 10.534 16.251
236 HD3 LYS 29 HD1 LYS 29 25.500 10.875 14.529
237 HE2 LYS 29 HE2 LYS 29 23.234 9.982 14.590
238 HE3 LYS 29 HE1 LYS 29 23.418 9.602 16.300
239 HZ1 LYS 29 HZ1 LYS 29 23.701 11.973 16.737
240 HZ2 LYS 29 HZ2 LYS 29 22.215 11.655 16.001
241 HZ3 LYS 29 HZ3 LYS 29 23.475 12.310 15.095
242 H SER 30 HN SER 30 29.068 7.515 12.870
243 HA SER 30 HA SER 30 31.581 7.999 14.006
244 HB2 SER 30 HB2 SER 30 30.904 6.384 11.534
245 HB3 SER 30 HB1 SER 30 32.349 6.217 12.533
246 HG SER 30 HG SER 30 31.262 4.992 13.819
247 H GLU 31 HN GLU 31 30.151 8.839 10.901
248 HA GLU 31 HA GLU 31 32.403 9.790 9.565
249 HB2 GLU 31 HB2 GLU 31 30.148 9.450 8.560
250 HB3 GLU 31 HB1 GLU 31 29.584 10.877 9.414
251 HG2 GLU 31 HG2 GLU 31 30.049 11.427 7.128
252 HG3 GLU 31 HG1 GLU 31 31.216 12.234 8.175
253 H ARG 32 HN ARG 32 30.198 11.420 11.807
254 HA ARG 32 HA ARG 32 31.398 13.973 11.657
255 HB2 ARG 32 HB2 ARG 32 29.172 13.699 12.595
256 HB3 ARG 32 HB1 ARG 32 29.803 12.687 13.884
257 HG2 ARG 32 HG2 ARG 32 31.076 14.595 14.743
258 HG3 ARG 32 HG1 ARG 32 30.407 15.606 13.461
259 HD2 ARG 32 HD2 ARG 32 28.169 15.263 14.325
260 HD3 ARG 32 HD1 ARG 32 28.787 14.163 15.556
261 HE ARG 32 HE ARG 32 30.158 16.516 15.909
262 HH11 ARG 32 HH11 ARG 32 26.781 15.527 15.992
263 HH12 ARG 32 HH12 ARG 32 26.327 16.747 17.130
264 HH21 ARG 32 HH21 ARG 32 29.543 18.125 17.433
265 HH22 ARG 32 HH22 ARG 32 27.897 18.219 17.953
266 H HIS 33 HN HIS 33 31.780 11.299 13.943
267 HA HIS 33 HA HIS 33 33.658 12.393 15.669
268 HB2 HIS 33 HB2 HIS 33 32.629 10.304 16.215
269 HB3 HIS 33 HB1 HIS 33 33.224 9.550 14.743
270 HD1 HIS 33 HD1 HIS 33 35.748 8.823 14.709
271 HD2 HIS 33 HD2 HIS 33 34.391 10.295 18.368
272 HE1 HIS 33 HE1 HIS 33 37.491 8.167 16.395
273 H ASP 34 HN ASP 34 34.126 10.908 12.552
274 HA ASP 34 HA ASP 34 36.996 10.898 12.827
275 HB2 ASP 34 HB2 ASP 34 35.173 9.895 10.657
276 HB3 ASP 34 HB1 ASP 34 36.914 9.988 10.445
277 H HIS 35 HN HIS 35 34.839 13.248 11.908
278 HA HIS 35 HA HIS 35 35.885 14.408 9.625
279 HB2 HIS 35 HB2 HIS 35 34.811 16.427 10.149
280 HB3 HIS 35 HB1 HIS 35 33.865 15.258 11.049
281 HD2 HIS 35 HD2 HIS 35 34.282 15.405 13.913
282 HE1 HIS 35 HE1 HIS 35 36.121 19.215 13.757
283 HE2 HIS 35 HE2 HIS 35 34.921 17.551 15.197
284 H ASP 36 HN ASP 36 37.248 14.656 12.888
285 HA ASP 36 HA ASP 36 39.209 16.597 12.104
286 HB2 ASP 36 HB2 ASP 36 40.178 16.302 14.318
287 HB3 ASP 36 HB1 ASP 36 38.430 16.431 14.454
288 H LYS 37 HN LYS 37 39.064 13.137 12.353
289 HA LYS 37 HA LYS 37 41.840 12.583 12.059
290 HB2 LYS 37 HB2 LYS 37 40.348 10.877 12.936
291 HB3 LYS 37 HB1 LYS 37 39.416 10.868 11.442
292 HG2 LYS 37 HG2 LYS 37 41.547 10.124 10.297
293 HG3 LYS 37 HG1 LYS 37 42.190 9.845 11.917
294 HD2 LYS 37 HD2 LYS 37 40.376 8.314 12.399
295 HD3 LYS 37 HD1 LYS 37 39.656 8.635 10.820
296 HE2 LYS 37 HE2 LYS 37 41.742 7.763 9.779
297 HE3 LYS 37 HE1 LYS 37 42.301 7.311 11.387
298 HZ1 LYS 37 HZ1 LYS 37 40.303 5.918 11.599
299 HZ2 LYS 37 HZ2 LYS 37 41.305 5.431 10.328
300 HZ3 LYS 37 HZ3 LYS 37 39.888 6.286 10.000
301 H LYS 38 HN LYS 38 39.175 12.876 9.781
302 HA LYS 38 HA LYS 38 40.636 12.120 7.467
303 HB2 LYS 38 HB2 LYS 38 38.155 12.204 7.502
304 HB3 LYS 38 HB1 LYS 38 38.225 13.960 7.632
305 HG2 LYS 38 HG2 LYS 38 39.261 14.101 5.449
306 HG3 LYS 38 HG1 LYS 38 39.277 12.342 5.327
307 HD2 LYS 38 HD2 LYS 38 36.825 12.329 5.453
308 HD3 LYS 38 HD1 LYS 38 36.830 14.092 5.531
309 HE2 LYS 38 HE2 LYS 38 37.877 14.198 3.336
310 HE3 LYS 38 HE1 LYS 38 37.931 12.439 3.262
311 HZ1 LYS 38 HZ1 LYS 38 35.471 14.076 3.418
312 HZ2 LYS 38 HZ2 LYS 38 35.531 12.393 3.312
313 HZ3 LYS 38 HZ3 LYS 38 36.068 13.343 2.016
314 H GLU 39 HN GLU 39 40.210 15.097 9.167
315 HA GLU 39 HA GLU 39 41.403 16.823 7.255
316 HB2 GLU 39 HB2 GLU 39 39.963 17.676 9.049
317 HB3 GLU 39 HB1 GLU 39 41.119 17.134 10.256
318 HG2 GLU 39 HG2 GLU 39 42.721 18.745 9.519
319 HG3 GLU 39 HG1 GLU 39 41.692 19.208 8.164
320 H ALA 40 HN ALA 40 42.658 15.282 10.207
321 HA ALA 40 HA ALA 40 45.162 14.644 9.160
322 HB1 ALA 40 HB1 ALA 40 46.611 16.266 10.286
323 HB2 ALA 40 HB2 ALA 40 45.196 17.132 10.887
324 HB3 ALA 40 HB3 ALA 40 45.530 17.083 9.157
325 H GLU 41 HN GLU 41 46.724 14.875 11.537
326 HA GLU 41 HA GLU 41 45.462 12.871 13.171
327 HB2 GLU 41 HB2 GLU 41 48.092 14.345 13.511
328 HB3 GLU 41 HB1 GLU 41 47.561 12.990 14.490
329 HG2 GLU 41 HG2 GLU 41 47.663 11.498 12.650
330 HG3 GLU 41 HG1 GLU 41 47.906 12.823 11.512
331 H ARG 42 HN ARG 42 46.311 16.271 13.403
332 HA ARG 42 HA ARG 42 44.206 16.909 15.050
333 HB2 ARG 42 HB2 ARG 42 45.639 15.853 16.791
334 HB3 ARG 42 HB1 ARG 42 46.946 16.937 16.343
335 HG2 ARG 42 HG2 ARG 42 45.721 18.837 17.123
336 HG3 ARG 42 HG1 ARG 42 44.288 17.846 17.401
337 HD2 ARG 42 HD2 ARG 42 45.533 18.346 19.477
338 HD3 ARG 42 HD1 ARG 42 45.413 16.622 19.143
339 HE ARG 42 HE ARG 42 47.736 16.786 18.287
340 HH11 ARG 42 HH11 ARG 42 46.570 19.198 20.579
341 HH12 ARG 42 HH12 ARG 42 48.146 19.533 21.206
342 HH21 ARG 42 HH21 ARG 42 49.816 17.246 19.140
343 HH22 ARG 42 HH22 ARG 42 49.979 18.432 20.389
344 H LYS 43 HN LYS 43 43.813 18.798 14.336
345 HA LYS 43 HA LYS 43 45.467 20.203 12.549
346 HB2 LYS 43 HB2 LYS 43 43.803 21.901 12.431
347 HB3 LYS 43 HB1 LYS 43 42.973 20.363 12.580
348 HG2 LYS 43 HG2 LYS 43 42.563 20.791 14.933
349 HG3 LYS 43 HG1 LYS 43 43.457 22.308 14.826
350 HD2 LYS 43 HD2 LYS 43 41.808 23.045 13.086
351 HD3 LYS 43 HD1 LYS 43 40.867 21.598 13.459
352 HE2 LYS 43 HE2 LYS 43 39.941 23.398 14.712
353 HE3 LYS 43 HE1 LYS 43 40.806 22.354 15.837
354 HZ1 LYS 43 HZ1 LYS 43 41.490 24.457 16.449
355 HZ2 LYS 43 HZ2 LYS 43 41.517 25.033 14.870
356 HZ3 LYS 43 HZ3 LYS 43 42.750 24.012 15.398
357 H ALA 44 HN ALA 44 45.469 20.228 15.916
358 HA ALA 44 HA ALA 44 46.246 22.805 16.597
359 HB1 ALA 44 HB1 ALA 44 47.338 20.255 17.804
360 HB2 ALA 44 HB2 ALA 44 45.851 21.070 18.293
361 HB3 ALA 44 HB3 ALA 44 47.406 21.859 18.525
362 H LEU 45 HN LEU 45 48.182 20.213 15.190
363 HA LEU 45 HA LEU 45 50.664 21.594 15.389
364 HB2 LEU 45 HB2 LEU 45 49.842 19.315 13.585
365 HB3 LEU 45 HB1 LEU 45 51.484 19.872 13.827
366 HG LEU 45 HG LEU 45 49.725 18.647 15.952
367 HD11 LEU 45 HD11 LEU 45 52.098 17.531 14.470
368 HD12 LEU 45 HD12 LEU 45 50.419 17.024 14.282
369 HD13 LEU 45 HD13 LEU 45 51.259 16.751 15.809
370 HD21 LEU 45 HD21 LEU 45 51.277 20.263 16.901
371 HD22 LEU 45 HD22 LEU 45 52.616 19.517 16.028
372 HD23 LEU 45 HD23 LEU 45 51.785 18.623 17.300
373 H GLU 46 HN GLU 46 48.144 21.361 12.921
374 HA GLU 46 HA GLU 46 49.642 22.723 10.920
375 HB2 GLU 46 HB2 GLU 46 46.698 22.064 11.190
376 HB3 GLU 46 HB1 GLU 46 47.317 23.041 9.877
377 HG2 GLU 46 HG2 GLU 46 47.012 20.687 9.254
378 HG3 GLU 46 HG1 GLU 46 48.672 21.240 9.071
379 H ASP 47 HN ASP 47 47.262 23.672 13.342
380 HA ASP 47 HA ASP 47 47.004 26.379 12.573
381 HB2 ASP 47 HB2 ASP 47 46.735 25.132 15.322
382 HB3 ASP 47 HB1 ASP 47 46.280 26.783 14.935
383 H LYS 48 HN LYS 48 49.124 24.739 14.797
384 HA LYS 48 HA LYS 48 50.619 26.895 15.749
385 HB2 LYS 48 HB2 LYS 48 50.835 24.543 16.597
386 HB3 LYS 48 HB1 LYS 48 51.739 24.125 15.153
387 HG2 LYS 48 HG2 LYS 48 53.482 25.691 15.791
388 HG3 LYS 48 HG1 LYS 48 52.552 26.149 17.219
389 HD2 LYS 48 HD2 LYS 48 52.634 23.745 17.931
390 HD3 LYS 48 HD1 LYS 48 53.746 23.452 16.596
391 HE2 LYS 48 HE2 LYS 48 54.175 25.345 18.901
392 HE3 LYS 48 HE1 LYS 48 54.970 23.789 18.666
393 HZ1 LYS 48 HZ1 LYS 48 56.413 25.546 17.967
394 HZ2 LYS 48 HZ2 LYS 48 55.234 26.184 16.946
395 HZ3 LYS 48 HZ3 LYS 48 55.923 24.683 16.599
396 H LEU 49 HN LEU 49 51.367 24.833 12.901
397 HA LEU 49 HA LEU 49 52.183 25.295 10.882
398 HB2 LEU 49 HB2 LEU 49 50.558 27.145 11.030
399 HB3 LEU 49 HB1 LEU 49 51.827 28.177 11.648
400 HG LEU 49 HG LEU 49 53.018 28.006 9.521
401 HD11 LEU 49 HD11 LEU 49 50.658 26.335 8.657
402 HD12 LEU 49 HD12 LEU 49 52.318 25.768 8.847
403 HD13 LEU 49 HD13 LEU 49 51.924 26.945 7.595
404 HD21 LEU 49 HD21 LEU 49 51.421 29.776 9.877
405 HD22 LEU 49 HD22 LEU 49 50.120 28.736 9.305
406 HD23 LEU 49 HD23 LEU 49 51.389 29.257 8.190
407 H ALA 50 HN ALA 50 53.880 25.891 13.606
408 HA ALA 50 HA ALA 50 56.289 26.495 12.057
409 HB1 ALA 50 HB1 ALA 50 57.123 27.928 13.843
410 HB2 ALA 50 HB2 ALA 50 55.627 27.684 14.747
411 HB3 ALA 50 HB3 ALA 50 55.596 28.542 13.206
412 H ASP 51 HN ASP 51 58.042 25.312 12.550
413 HA ASP 51 HA ASP 51 58.216 23.868 15.033
414 HB2 ASP 51 HB2 ASP 51 58.365 21.652 14.112
415 HB3 ASP 51 HB1 ASP 51 56.859 22.354 13.543
416 H TYR 52 HN TYR 52 60.311 23.041 15.401
417 HA TYR 52 HA TYR 52 62.305 24.457 13.792
418 HB2 TYR 52 HB2 TYR 52 62.557 23.332 16.593
419 HB3 TYR 52 HB1 TYR 52 63.795 24.248 15.738
420 HD1 TYR 52 HD1 TYR 52 61.094 24.455 17.998
421 HD2 TYR 52 HD2 TYR 52 63.062 26.634 14.927
422 HE1 TYR 52 HE1 TYR 52 60.115 26.537 18.854
423 HE2 TYR 52 HE2 TYR 52 62.092 28.725 15.775
424 HH TYR 52 HH TYR 52 60.091 29.410 17.094
Start of MODEL 13
1 H1 GLY 1 HT1 GLY 1 -3.023 -6.205 18.890
2 H2 GLY 1 HT2 GLY 1 -1.699 -6.857 19.716
3 H3 GLY 1 HT3 GLY 1 -2.806 -7.882 18.953
4 HA2 GLY 1 HA1 GLY 1 -1.002 -5.962 17.606
5 HA3 GLY 1 HA2 GLY 1 -0.787 -7.705 17.669
6 H SER 2 HN SER 2 -2.316 -9.053 16.584
7 HA SER 2 HA SER 2 -3.653 -9.697 14.879
8 HB2 SER 2 HB2 SER 2 -4.704 -6.859 14.957
9 HB3 SER 2 HB1 SER 2 -5.454 -8.208 14.105
10 HG SER 2 HG SER 2 -6.230 -8.932 15.925
11 H VAL 3 HN VAL 3 -1.060 -8.034 14.561
12 HA VAL 3 HA VAL 3 -1.231 -6.983 11.880
13 HB VAL 3 HB VAL 3 1.297 -7.586 13.430
14 HG11 VAL 3 HG11 VAL 3 2.178 -5.691 12.124
15 HG12 VAL 3 HG12 VAL 3 0.640 -5.585 11.269
16 HG13 VAL 3 HG13 VAL 3 1.645 -7.026 11.102
17 HG21 VAL 3 HG21 VAL 3 -0.397 -5.094 13.562
18 HG22 VAL 3 HG22 VAL 3 1.182 -5.314 14.316
19 HG23 VAL 3 HG23 VAL 3 -0.195 -6.274 14.856
20 H GLU 4 HN GLU 4 -2.177 -9.345 11.422
21 HA GLU 4 HA GLU 4 -0.066 -10.872 10.169
22 HB2 GLU 4 HB2 GLU 4 -1.104 -13.027 11.107
23 HB3 GLU 4 HB1 GLU 4 -0.086 -12.083 12.186
24 HG2 GLU 4 HG2 GLU 4 -2.049 -11.144 13.259
25 HG3 GLU 4 HG1 GLU 4 -3.097 -12.009 12.138
26 H LYS 5 HN LYS 5 -3.540 -10.836 10.894
27 HA LYS 5 HA LYS 5 -4.289 -12.097 8.460
28 HB2 LYS 5 HB2 LYS 5 -5.686 -12.083 10.511
29 HB3 LYS 5 HB1 LYS 5 -5.923 -10.356 10.314
30 HG2 LYS 5 HG2 LYS 5 -7.076 -10.745 8.206
31 HG3 LYS 5 HG1 LYS 5 -6.827 -12.482 8.390
32 HD2 LYS 5 HD2 LYS 5 -8.151 -12.479 10.425
33 HD3 LYS 5 HD1 LYS 5 -8.355 -10.731 10.312
34 HE2 LYS 5 HE2 LYS 5 -9.357 -12.785 8.346
35 HE3 LYS 5 HE1 LYS 5 -10.336 -11.883 9.504
36 HZ1 LYS 5 HZ1 LYS 5 -8.811 -10.722 7.229
37 HZ2 LYS 5 HZ2 LYS 5 -9.699 -9.833 8.356
38 HZ3 LYS 5 HZ3 LYS 5 -10.488 -10.909 7.320
39 H LEU 6 HN LEU 6 -3.712 -8.876 9.502
40 HA LEU 6 HA LEU 6 -4.803 -7.687 7.118
41 HB2 LEU 6 HB2 LEU 6 -3.180 -6.371 9.326
42 HB3 LEU 6 HB1 LEU 6 -4.031 -5.543 8.038
43 HG LEU 6 HG LEU 6 -5.317 -7.195 10.208
44 HD11 LEU 6 HD11 LEU 6 -4.323 -5.162 11.092
45 HD12 LEU 6 HD12 LEU 6 -6.084 -5.051 11.091
46 HD13 LEU 6 HD13 LEU 6 -5.147 -4.209 9.858
47 HD21 LEU 6 HD21 LEU 6 -6.518 -5.444 8.067
48 HD22 LEU 6 HD22 LEU 6 -7.405 -6.202 9.387
49 HD23 LEU 6 HD23 LEU 6 -6.626 -7.201 8.161
50 H THR 7 HN THR 7 -1.438 -7.396 8.489
51 HA THR 7 HA THR 7 -0.346 -7.986 5.961
52 HB THR 7 HB THR 7 1.060 -5.838 6.134
53 HG1 THR 7 HG1 THR 7 0.166 -5.286 8.242
54 HG21 THR 7 HG21 THR 7 -1.855 -5.599 5.380
55 HG22 THR 7 HG22 THR 7 -0.572 -6.226 4.348
56 HG23 THR 7 HG23 THR 7 -0.556 -4.535 4.842
57 H ALA 8 HN ALA 8 0.927 -9.632 7.118
58 HA ALA 8 HA ALA 8 2.302 -8.924 9.547
59 HB1 ALA 8 HB1 ALA 8 2.707 -11.371 7.801
60 HB2 ALA 8 HB2 ALA 8 1.553 -11.261 9.131
61 HB3 ALA 8 HB3 ALA 8 3.279 -11.149 9.451
62 H ASP 9 HN ASP 9 2.996 -9.259 6.191
63 HA ASP 9 HA ASP 9 5.813 -9.106 6.263
64 HB2 ASP 9 HB2 ASP 9 5.750 -8.656 3.918
65 HB3 ASP 9 HB1 ASP 9 4.453 -9.791 4.261
66 H ALA 10 HN ALA 10 3.374 -6.675 6.141
67 HA ALA 10 HA ALA 10 4.939 -4.398 5.694
68 HB1 ALA 10 HB1 ALA 10 2.391 -4.523 7.317
69 HB2 ALA 10 HB2 ALA 10 2.495 -4.317 5.563
70 HB3 ALA 10 HB3 ALA 10 3.122 -3.073 6.636
71 H GLU 11 HN GLU 11 4.545 -6.270 8.607
72 HA GLU 11 HA GLU 11 5.672 -4.175 10.271
73 HB2 GLU 11 HB2 GLU 11 3.927 -5.660 11.198
74 HB3 GLU 11 HB1 GLU 11 4.961 -7.056 10.926
75 HG2 GLU 11 HG2 GLU 11 6.551 -6.235 12.539
76 HG3 GLU 11 HG1 GLU 11 5.605 -4.762 12.759
77 H LEU 12 HN LEU 12 6.624 -6.810 8.380
78 HA LEU 12 HA LEU 12 9.123 -7.363 9.710
79 HB2 LEU 12 HB2 LEU 12 8.468 -8.058 6.852
80 HB3 LEU 12 HB1 LEU 12 9.596 -8.858 7.922
81 HG LEU 12 HG LEU 12 6.591 -9.035 7.939
82 HD11 LEU 12 HD11 LEU 12 8.734 -11.098 7.658
83 HD12 LEU 12 HD12 LEU 12 7.712 -10.446 6.374
84 HD13 LEU 12 HD13 LEU 12 6.994 -11.382 7.682
85 HD21 LEU 12 HD21 LEU 12 6.778 -10.451 9.905
86 HD22 LEU 12 HD22 LEU 12 7.267 -8.791 10.229
87 HD23 LEU 12 HD23 LEU 12 8.495 -10.052 10.035
88 H GLN 13 HN GLN 13 8.045 -5.702 6.794
89 HA GLN 13 HA GLN 13 10.581 -4.720 6.023
90 HB2 GLN 13 HB2 GLN 13 7.849 -3.552 5.450
91 HB3 GLN 13 HB1 GLN 13 9.331 -3.181 4.584
92 HG2 GLN 13 HG2 GLN 13 7.907 -5.835 4.649
93 HG3 GLN 13 HG1 GLN 13 7.963 -4.702 3.300
94 HE21 GLN 13 HE21 GLN 13 9.704 -7.081 5.120
95 HE22 GLN 13 HE22 GLN 13 11.030 -7.248 4.024
96 H ARG 14 HN ARG 14 8.113 -3.635 8.203
97 HA ARG 14 HA ARG 14 9.012 -1.004 8.652
98 HB2 ARG 14 HB2 ARG 14 6.805 -1.848 9.426
99 HB3 ARG 14 HB1 ARG 14 7.623 -2.848 10.619
100 HG2 ARG 14 HG2 ARG 14 8.380 -0.914 11.804
101 HG3 ARG 14 HG1 ARG 14 7.771 0.154 10.534
102 HD2 ARG 14 HD2 ARG 14 6.094 -1.672 12.249
103 HD3 ARG 14 HD1 ARG 14 6.251 0.071 12.459
104 HE ARG 14 HE ARG 14 5.339 0.141 10.066
105 HH11 ARG 14 HH11 ARG 14 4.395 -2.240 12.467
106 HH12 ARG 14 HH12 ARG 14 2.829 -2.497 11.781
107 HH21 ARG 14 HH21 ARG 14 3.268 -0.221 9.135
108 HH22 ARG 14 HH22 ARG 14 2.186 -1.351 9.873
109 H LEU 15 HN LEU 15 9.914 -4.097 10.183
110 HA LEU 15 HA LEU 15 11.689 -2.934 12.068
111 HB2 LEU 15 HB2 LEU 15 11.646 -5.739 10.945
112 HB3 LEU 15 HB1 LEU 15 12.522 -5.222 12.370
113 HG LEU 15 HG LEU 15 9.529 -5.345 12.055
114 HD11 LEU 15 HD11 LEU 15 9.650 -7.090 13.743
115 HD12 LEU 15 HD12 LEU 15 11.408 -6.961 13.760
116 HD13 LEU 15 HD13 LEU 15 10.580 -7.524 12.308
117 HD21 LEU 15 HD21 LEU 15 10.120 -3.454 13.453
118 HD22 LEU 15 HD22 LEU 15 11.201 -4.467 14.408
119 HD23 LEU 15 HD23 LEU 15 9.461 -4.751 14.449
120 H LYS 16 HN LYS 16 11.920 -4.069 8.822
121 HA LYS 16 HA LYS 16 14.765 -4.058 8.610
122 HB2 LYS 16 HB2 LYS 16 13.450 -5.229 6.912
123 HB3 LYS 16 HB1 LYS 16 12.687 -3.722 6.422
124 HG2 LYS 16 HG2 LYS 16 14.749 -2.884 5.549
125 HG3 LYS 16 HG1 LYS 16 15.638 -4.256 6.207
126 HD2 LYS 16 HD2 LYS 16 13.447 -4.509 4.150
127 HD3 LYS 16 HD1 LYS 16 15.160 -4.381 3.746
128 HE2 LYS 16 HE2 LYS 16 13.892 -6.542 5.433
129 HE3 LYS 16 HE1 LYS 16 14.413 -6.711 3.760
130 HZ1 LYS 16 HZ1 LYS 16 16.056 -7.602 5.281
131 HZ2 LYS 16 HZ2 LYS 16 16.182 -6.116 6.074
132 HZ3 LYS 16 HZ3 LYS 16 16.687 -6.262 4.468
133 H ASN 17 HN ASN 17 12.281 -1.657 7.936
134 HA ASN 17 HA ASN 17 14.003 0.414 7.071
135 HB2 ASN 17 HB2 ASN 17 11.240 0.475 8.305
136 HB3 ASN 17 HB1 ASN 17 12.113 1.946 7.911
137 HD21 ASN 17 HD21 ASN 17 10.524 2.511 6.450
138 HD22 ASN 17 HD22 ASN 17 10.399 1.759 4.895
139 H GLU 18 HN GLU 18 12.786 -0.504 10.239
140 HA GLU 18 HA GLU 18 13.840 1.605 11.735
141 HB2 GLU 18 HB2 GLU 18 12.226 -0.269 12.446
142 HB3 GLU 18 HB1 GLU 18 13.663 -1.233 12.737
143 HG2 GLU 18 HG2 GLU 18 12.999 -0.297 14.805
144 HG3 GLU 18 HG1 GLU 18 14.451 0.558 14.283
145 H ARG 19 HN ARG 19 15.233 -1.538 10.865
146 HA ARG 19 HA ARG 19 17.721 -1.116 12.159
147 HB2 ARG 19 HB2 ARG 19 16.957 -2.982 9.905
148 HB3 ARG 19 HB1 ARG 19 18.548 -2.951 10.639
149 HG2 ARG 19 HG2 ARG 19 17.558 -3.508 12.806
150 HG3 ARG 19 HG1 ARG 19 15.966 -3.578 12.046
151 HD2 ARG 19 HD2 ARG 19 16.621 -5.422 10.681
152 HD3 ARG 19 HD1 ARG 19 18.305 -5.264 11.182
153 HE ARG 19 HE ARG 19 16.761 -5.668 13.463
154 HH11 ARG 19 HH11 ARG 19 17.653 -7.442 10.572
155 HH12 ARG 19 HH12 ARG 19 17.623 -8.986 11.347
156 HH21 ARG 19 HH21 ARG 19 16.720 -7.713 14.500
157 HH22 ARG 19 HH22 ARG 19 17.075 -9.143 13.597
158 H HIS 20 HN HIS 20 16.678 -0.724 8.781
159 HA HIS 20 HA HIS 20 19.074 0.086 7.653
160 HB2 HIS 20 HB2 HIS 20 16.929 -0.417 6.409
161 HB3 HIS 20 HB1 HIS 20 16.309 1.144 6.920
162 HD1 HIS 20 HD1 HIS 20 17.888 -0.472 4.181
163 HD2 HIS 20 HD2 HIS 20 18.117 3.324 5.853
164 HE1 HIS 20 HE1 HIS 20 18.813 0.995 2.374
165 H GLU 21 HN GLU 21 16.557 2.103 9.143
166 HA GLU 21 HA GLU 21 17.817 4.581 8.794
167 HB2 GLU 21 HB2 GLU 21 15.412 4.177 9.537
168 HB3 GLU 21 HB1 GLU 21 16.051 3.891 11.152
169 HG2 GLU 21 HG2 GLU 21 15.234 6.136 10.966
170 HG3 GLU 21 HG1 GLU 21 16.988 6.155 11.149
171 H GLU 22 HN GLU 22 18.053 2.268 11.499
172 HA GLU 22 HA GLU 22 19.734 3.939 13.096
173 HB2 GLU 22 HB2 GLU 22 18.275 2.145 14.042
174 HB3 GLU 22 HB1 GLU 22 19.287 0.936 13.264
175 HG2 GLU 22 HG2 GLU 22 19.812 1.108 15.604
176 HG3 GLU 22 HG1 GLU 22 21.176 1.654 14.633
177 H ALA 23 HN ALA 23 20.255 1.956 10.407
178 HA ALA 23 HA ALA 23 22.999 1.246 11.022
179 HB1 ALA 23 HB1 ALA 23 21.607 -0.275 9.651
180 HB2 ALA 23 HB2 ALA 23 23.075 0.227 8.822
181 HB3 ALA 23 HB3 ALA 23 21.534 0.955 8.387
182 H GLU 24 HN GLU 24 21.319 3.440 8.818
183 HA GLU 24 HA GLU 24 23.703 4.583 7.788
184 HB2 GLU 24 HB2 GLU 24 20.916 5.741 7.869
185 HB3 GLU 24 HB1 GLU 24 22.248 6.345 6.894
186 HG2 GLU 24 HG2 GLU 24 22.321 4.072 5.807
187 HG3 GLU 24 HG1 GLU 24 20.794 3.736 6.623
188 H LEU 25 HN LEU 25 21.496 5.462 10.384
189 HA LEU 25 HA LEU 25 22.621 7.871 11.175
190 HB2 LEU 25 HB2 LEU 25 20.545 6.941 12.104
191 HB3 LEU 25 HB1 LEU 25 21.467 5.708 12.936
192 HG LEU 25 HG LEU 25 22.558 7.456 14.293
193 HD11 LEU 25 HD11 LEU 25 22.411 9.321 12.748
194 HD12 LEU 25 HD12 LEU 25 21.645 9.732 14.282
195 HD13 LEU 25 HD13 LEU 25 20.652 9.319 12.883
196 HD21 LEU 25 HD21 LEU 25 20.610 7.993 15.667
197 HD22 LEU 25 HD22 LEU 25 20.578 6.315 15.128
198 HD23 LEU 25 HD23 LEU 25 19.545 7.512 14.347
199 H GLU 26 HN GLU 26 23.652 4.576 11.886
200 HA GLU 26 HA GLU 26 25.651 5.198 13.766
201 HB2 GLU 26 HB2 GLU 26 24.749 2.941 13.478
202 HB3 GLU 26 HB1 GLU 26 25.416 2.862 11.855
203 HG2 GLU 26 HG2 GLU 26 27.414 3.437 13.897
204 HG3 GLU 26 HG1 GLU 26 26.589 1.897 14.133
205 H ARG 27 HN ARG 27 25.726 4.847 10.248
206 HA ARG 27 HA ARG 27 28.522 5.298 9.983
207 HB2 ARG 27 HB2 ARG 27 26.324 5.700 7.944
208 HB3 ARG 27 HB1 ARG 27 28.044 5.643 7.596
209 HG2 ARG 27 HG2 ARG 27 26.357 3.385 8.657
210 HG3 ARG 27 HG1 ARG 27 27.008 3.544 7.025
211 HD2 ARG 27 HD2 ARG 27 29.299 3.539 8.025
212 HD3 ARG 27 HD1 ARG 27 28.560 3.174 9.583
213 HE ARG 27 HE ARG 27 27.897 1.381 7.406
214 HH11 ARG 27 HH11 ARG 27 29.903 1.967 10.226
215 HH12 ARG 27 HH12 ARG 27 30.413 0.321 10.370
216 HH21 ARG 27 HH21 ARG 27 28.552 -0.813 7.618
217 HH22 ARG 27 HH22 ARG 27 29.627 -1.269 8.896
218 H LEU 28 HN LEU 28 25.704 7.351 10.010
219 HA LEU 28 HA LEU 28 26.881 9.763 9.147
220 HB2 LEU 28 HB2 LEU 28 24.436 9.468 9.362
221 HB3 LEU 28 HB1 LEU 28 24.593 9.388 11.105
222 HG LEU 28 HG LEU 28 25.419 11.730 11.089
223 HD11 LEU 28 HD11 LEU 28 24.646 11.620 8.178
224 HD12 LEU 28 HD12 LEU 28 26.277 11.819 8.821
225 HD13 LEU 28 HD13 LEU 28 25.069 13.076 9.078
226 HD21 LEU 28 HD21 LEU 28 23.091 11.225 11.567
227 HD22 LEU 28 HD22 LEU 28 22.715 11.255 9.844
228 HD23 LEU 28 HD23 LEU 28 23.225 12.732 10.659
229 H LYS 29 HN LYS 29 26.477 8.404 12.371
230 HA LYS 29 HA LYS 29 27.820 10.466 13.769
231 HB2 LYS 29 HB2 LYS 29 27.472 7.548 14.502
232 HB3 LYS 29 HB1 LYS 29 28.069 8.789 15.595
233 HG2 LYS 29 HG2 LYS 29 25.968 9.964 15.487
234 HG3 LYS 29 HG1 LYS 29 25.363 8.831 14.279
235 HD2 LYS 29 HD2 LYS 29 25.472 7.018 15.893
236 HD3 LYS 29 HD1 LYS 29 26.159 8.109 17.099
237 HE2 LYS 29 HE2 LYS 29 24.133 9.432 17.102
238 HE3 LYS 29 HE1 LYS 29 23.450 8.442 15.817
239 HZ1 LYS 29 HZ1 LYS 29 23.452 6.552 17.312
240 HZ2 LYS 29 HZ2 LYS 29 22.585 7.831 17.988
241 HZ3 LYS 29 HZ3 LYS 29 24.141 7.485 18.540
242 H SER 30 HN SER 30 28.973 7.277 12.660
243 HA SER 30 HA SER 30 31.595 7.325 13.186
244 HB2 SER 30 HB2 SER 30 30.530 5.507 11.907
245 HB3 SER 30 HB1 SER 30 30.425 6.557 10.493
246 HG SER 30 HG SER 30 32.927 6.648 11.057
247 H GLU 31 HN GLU 31 30.188 9.040 10.379
248 HA GLU 31 HA GLU 31 32.516 10.040 9.271
249 HB2 GLU 31 HB2 GLU 31 29.778 11.293 9.405
250 HB3 GLU 31 HB1 GLU 31 31.087 11.930 8.421
251 HG2 GLU 31 HG2 GLU 31 29.827 9.210 8.164
252 HG3 GLU 31 HG1 GLU 31 29.580 10.587 7.090
253 H ARG 32 HN ARG 32 30.535 11.553 11.793
254 HA ARG 32 HA ARG 32 32.102 13.863 12.132
255 HB2 ARG 32 HB2 ARG 32 29.827 13.638 13.032
256 HB3 ARG 32 HB1 ARG 32 30.386 12.420 14.163
257 HG2 ARG 32 HG2 ARG 32 30.102 14.528 15.299
258 HG3 ARG 32 HG1 ARG 32 31.814 14.109 15.248
259 HD2 ARG 32 HD2 ARG 32 32.178 15.655 13.421
260 HD3 ARG 32 HD1 ARG 32 30.451 15.997 13.326
261 HE ARG 32 HE ARG 32 31.235 16.605 15.916
262 HH11 ARG 32 HH11 ARG 32 32.026 17.720 12.688
263 HH12 ARG 32 HH12 ARG 32 32.340 19.346 13.184
264 HH21 ARG 32 HH21 ARG 32 31.658 18.764 16.581
265 HH22 ARG 32 HH22 ARG 32 32.138 19.943 15.408
266 H HIS 33 HN HIS 33 32.406 10.640 13.468
267 HA HIS 33 HA HIS 33 34.435 11.327 15.381
268 HB2 HIS 33 HB2 HIS 33 33.415 8.697 14.327
269 HB3 HIS 33 HB1 HIS 33 34.767 8.794 15.448
270 HD1 HIS 33 HD1 HIS 33 31.054 9.415 15.244
271 HD2 HIS 33 HD2 HIS 33 34.086 9.290 18.085
272 HE1 HIS 33 HE1 HIS 33 29.892 9.430 17.466
273 H ASP 34 HN ASP 34 34.400 9.858 12.178
274 HA ASP 34 HA ASP 34 37.195 9.406 12.011
275 HB2 ASP 34 HB2 ASP 34 35.072 9.588 9.866
276 HB3 ASP 34 HB1 ASP 34 36.765 9.300 9.499
277 H HIS 35 HN HIS 35 35.549 12.220 12.107
278 HA HIS 35 HA HIS 35 37.345 13.718 10.332
279 HB2 HIS 35 HB2 HIS 35 34.860 14.241 10.387
280 HB3 HIS 35 HB1 HIS 35 35.080 14.819 12.034
281 HD2 HIS 35 HD2 HIS 35 35.796 17.447 12.208
282 HE1 HIS 35 HE1 HIS 35 36.769 18.035 8.121
283 HE2 HIS 35 HE2 HIS 35 36.171 19.145 10.290
284 H ASP 36 HN ASP 36 37.040 12.705 13.494
285 HA ASP 36 HA ASP 36 38.756 14.816 14.602
286 HB2 ASP 36 HB2 ASP 36 36.886 14.300 16.010
287 HB3 ASP 36 HB1 ASP 36 37.193 12.570 15.910
288 H LYS 37 HN LYS 37 38.810 11.609 13.447
289 HA LYS 37 HA LYS 37 41.112 10.705 14.880
290 HB2 LYS 37 HB2 LYS 37 39.882 9.545 12.380
291 HB3 LYS 37 HB1 LYS 37 40.966 8.728 13.495
292 HG2 LYS 37 HG2 LYS 37 38.152 9.633 14.086
293 HG3 LYS 37 HG1 LYS 37 38.671 7.978 13.772
294 HD2 LYS 37 HD2 LYS 37 40.080 8.053 15.780
295 HD3 LYS 37 HD1 LYS 37 39.547 9.708 16.085
296 HE2 LYS 37 HE2 LYS 37 38.287 8.180 17.473
297 HE3 LYS 37 HE1 LYS 37 37.226 8.896 16.265
298 HZ1 LYS 37 HZ1 LYS 37 38.435 6.187 16.124
299 HZ2 LYS 37 HZ2 LYS 37 37.423 6.866 14.955
300 HZ3 LYS 37 HZ3 LYS 37 36.823 6.531 16.495
301 H LYS 38 HN LYS 38 40.469 12.467 12.005
302 HA LYS 38 HA LYS 38 43.026 11.958 10.804
303 HB2 LYS 38 HB2 LYS 38 40.972 14.081 10.131
304 HB3 LYS 38 HB1 LYS 38 42.392 13.679 9.178
305 HG2 LYS 38 HG2 LYS 38 40.070 11.848 9.724
306 HG3 LYS 38 HG1 LYS 38 40.391 12.709 8.218
307 HD2 LYS 38 HD2 LYS 38 42.568 11.499 8.073
308 HD3 LYS 38 HD1 LYS 38 42.076 10.549 9.477
309 HE2 LYS 38 HE2 LYS 38 40.693 10.676 6.804
310 HE3 LYS 38 HE1 LYS 38 41.611 9.318 7.447
311 HZ1 LYS 38 HZ1 LYS 38 39.070 10.396 8.539
312 HZ2 LYS 38 HZ2 LYS 38 39.971 9.150 9.238
313 HZ3 LYS 38 HZ3 LYS 38 39.272 8.931 7.720
314 H GLU 39 HN GLU 39 43.994 12.500 12.906
315 HA GLU 39 HA GLU 39 44.401 15.355 13.366
316 HB2 GLU 39 HB2 GLU 39 45.539 14.763 15.392
317 HB3 GLU 39 HB1 GLU 39 44.099 13.766 15.286
318 HG2 GLU 39 HG2 GLU 39 45.478 11.866 14.533
319 HG3 GLU 39 HG1 GLU 39 46.909 12.888 14.635
320 H ALA 40 HN ALA 40 46.850 15.858 14.028
321 HA ALA 40 HA ALA 40 48.982 16.238 13.376
322 HB1 ALA 40 HB1 ALA 40 48.781 13.521 12.096
323 HB2 ALA 40 HB2 ALA 40 49.293 13.866 13.748
324 HB3 ALA 40 HB3 ALA 40 50.270 14.419 12.390
325 H GLU 41 HN GLU 41 48.359 18.078 11.859
326 HA GLU 41 HA GLU 41 48.389 19.172 9.917
327 HB2 GLU 41 HB2 GLU 41 49.635 16.648 8.805
328 HB3 GLU 41 HB1 GLU 41 49.512 18.170 7.938
329 HG2 GLU 41 HG2 GLU 41 51.079 17.654 10.450
330 HG3 GLU 41 HG1 GLU 41 51.729 17.884 8.829
331 H ARG 42 HN ARG 42 46.125 19.202 9.976
332 HA ARG 42 HA ARG 42 44.841 18.187 7.748
333 HB2 ARG 42 HB2 ARG 42 45.025 16.141 9.286
334 HB3 ARG 42 HB1 ARG 42 43.920 16.992 10.353
335 HG2 ARG 42 HG2 ARG 42 42.605 15.530 9.083
336 HG3 ARG 42 HG1 ARG 42 42.339 17.132 8.404
337 HD2 ARG 42 HD2 ARG 42 43.721 16.686 6.546
338 HD3 ARG 42 HD1 ARG 42 44.379 15.230 7.291
339 HE ARG 42 HE ARG 42 41.533 15.387 6.576
340 HH11 ARG 42 HH11 ARG 42 44.698 13.909 6.166
341 HH12 ARG 42 HH12 ARG 42 44.079 12.535 5.316
342 HH21 ARG 42 HH21 ARG 42 40.730 13.572 5.432
343 HH22 ARG 42 HH22 ARG 42 41.823 12.338 4.896
344 H LYS 43 HN LYS 43 43.441 19.641 7.415
345 HA LYS 43 HA LYS 43 42.756 21.790 9.073
346 HB2 LYS 43 HB2 LYS 43 42.384 21.702 6.565
347 HB3 LYS 43 HB1 LYS 43 40.949 20.734 6.877
348 HG2 LYS 43 HG2 LYS 43 40.034 22.606 8.202
349 HG3 LYS 43 HG1 LYS 43 41.446 23.565 7.763
350 HD2 LYS 43 HD2 LYS 43 40.862 23.283 5.382
351 HD3 LYS 43 HD1 LYS 43 39.412 22.399 5.862
352 HE2 LYS 43 HE2 LYS 43 38.836 24.698 5.380
353 HE3 LYS 43 HE1 LYS 43 38.648 24.390 7.105
354 HZ1 LYS 43 HZ1 LYS 43 40.986 25.714 5.843
355 HZ2 LYS 43 HZ2 LYS 43 40.776 25.455 7.498
356 HZ3 LYS 43 HZ3 LYS 43 39.745 26.506 6.673
357 H ALA 44 HN ALA 44 41.462 18.614 8.965
358 HA ALA 44 HA ALA 44 39.004 18.847 10.224
359 HB1 ALA 44 HB1 ALA 44 39.854 16.699 9.392
360 HB2 ALA 44 HB2 ALA 44 39.327 16.572 11.066
361 HB3 ALA 44 HB3 ALA 44 41.045 16.663 10.695
362 H LEU 45 HN LEU 45 42.238 19.089 11.651
363 HA LEU 45 HA LEU 45 41.663 18.957 14.351
364 HB2 LEU 45 HB2 LEU 45 43.697 20.653 12.912
365 HB3 LEU 45 HB1 LEU 45 43.678 20.386 14.642
366 HG LEU 45 HG LEU 45 44.042 18.219 12.571
367 HD11 LEU 45 HD11 LEU 45 46.055 19.558 14.372
368 HD12 LEU 45 HD12 LEU 45 45.941 19.745 12.622
369 HD13 LEU 45 HD13 LEU 45 46.365 18.179 13.316
370 HD21 LEU 45 HD21 LEU 45 44.742 16.888 14.551
371 HD22 LEU 45 HD22 LEU 45 43.036 17.333 14.556
372 HD23 LEU 45 HD23 LEU 45 44.179 18.205 15.580
373 H GLU 46 HN GLU 46 40.526 21.231 12.183
374 HA GLU 46 HA GLU 46 40.510 23.523 13.967
375 HB2 GLU 46 HB2 GLU 46 40.580 23.672 11.409
376 HB3 GLU 46 HB1 GLU 46 38.889 23.187 11.428
377 HG2 GLU 46 HG2 GLU 46 38.931 25.527 11.217
378 HG3 GLU 46 HG1 GLU 46 38.452 25.185 12.880
379 H ASP 47 HN ASP 47 38.419 20.895 13.015
380 HA ASP 47 HA ASP 47 36.153 22.025 14.512
381 HB2 ASP 47 HB2 ASP 47 36.270 19.679 12.603
382 HB3 ASP 47 HB1 ASP 47 34.841 20.139 13.514
383 H LYS 48 HN LYS 48 38.115 19.133 14.178
384 HA LYS 48 HA LYS 48 38.458 17.289 15.473
385 HB2 LYS 48 HB2 LYS 48 39.155 19.451 16.929
386 HB3 LYS 48 HB1 LYS 48 37.928 18.792 17.997
387 HG2 LYS 48 HG2 LYS 48 40.097 17.988 18.661
388 HG3 LYS 48 HG1 LYS 48 39.158 16.641 18.015
389 HD2 LYS 48 HD2 LYS 48 40.335 16.825 15.879
390 HD3 LYS 48 HD1 LYS 48 41.239 18.213 16.484
391 HE2 LYS 48 HE2 LYS 48 42.645 16.282 16.627
392 HE3 LYS 48 HE1 LYS 48 42.180 16.741 18.261
393 HZ1 LYS 48 HZ1 LYS 48 41.235 14.443 16.655
394 HZ2 LYS 48 HZ2 LYS 48 40.335 15.009 17.960
395 HZ3 LYS 48 HZ3 LYS 48 41.915 14.442 18.208
396 H LEU 49 HN LEU 49 37.286 16.426 17.984
397 HA LEU 49 HA LEU 49 34.527 15.992 17.089
398 HB2 LEU 49 HB2 LEU 49 36.022 14.043 17.707
399 HB3 LEU 49 HB1 LEU 49 35.983 14.618 19.360
400 HG LEU 49 HG LEU 49 33.532 14.276 19.386
401 HD11 LEU 49 HD11 LEU 49 33.050 14.488 17.032
402 HD12 LEU 49 HD12 LEU 49 32.518 12.908 17.609
403 HD13 LEU 49 HD13 LEU 49 34.010 13.053 16.677
404 HD21 LEU 49 HD21 LEU 49 33.612 11.858 19.545
405 HD22 LEU 49 HD22 LEU 49 35.073 12.569 20.235
406 HD23 LEU 49 HD23 LEU 49 35.120 11.832 18.634
407 H ALA 50 HN ALA 50 35.644 18.436 18.520
408 HA ALA 50 HA ALA 50 33.623 18.483 20.651
409 HB1 ALA 50 HB1 ALA 50 35.828 18.171 21.677
410 HB2 ALA 50 HB2 ALA 50 35.112 19.722 22.111
411 HB3 ALA 50 HB3 ALA 50 36.392 19.649 20.899
412 H ASP 51 HN ASP 51 35.711 20.404 18.534
413 HA ASP 51 HA ASP 51 35.454 22.379 17.471
414 HB2 ASP 51 HB2 ASP 51 33.216 21.536 16.807
415 HB3 ASP 51 HB1 ASP 51 32.539 22.206 18.286
416 H TYR 52 HN TYR 52 36.163 24.314 18.169
417 HA TYR 52 HA TYR 52 35.223 25.230 20.768
418 HB2 TYR 52 HB2 TYR 52 37.381 23.902 20.989
419 HB3 TYR 52 HB1 TYR 52 38.160 25.177 20.058
420 HD1 TYR 52 HD1 TYR 52 36.134 24.634 23.135
421 HD2 TYR 52 HD2 TYR 52 39.045 27.026 21.166
422 HE1 TYR 52 HE1 TYR 52 36.474 25.908 25.205
423 HE2 TYR 52 HE2 TYR 52 39.396 28.309 23.231
424 HH TYR 52 HH TYR 52 38.279 27.294 26.241
Start of MODEL 14
1 H1 GLY 1 HT1 GLY 1 -4.509 -18.271 10.266
2 H2 GLY 1 HT2 GLY 1 -5.201 -16.854 10.879
3 H3 GLY 1 HT3 GLY 1 -5.153 -18.245 11.831
4 HA2 GLY 1 HA1 GLY 1 -2.746 -18.152 11.904
5 HA3 GLY 1 HA2 GLY 1 -2.796 -16.717 10.890
6 H SER 2 HN SER 2 -2.001 -17.408 13.793
7 HA SER 2 HA SER 2 -3.704 -15.574 15.259
8 HB2 SER 2 HB2 SER 2 -1.311 -17.175 16.174
9 HB3 SER 2 HB1 SER 2 -2.433 -16.298 17.216
10 HG SER 2 HG SER 2 -3.757 -17.906 17.096
11 H VAL 3 HN VAL 3 -0.332 -15.785 14.158
12 HA VAL 3 HA VAL 3 0.287 -13.208 15.348
13 HB VAL 3 HB VAL 3 1.936 -15.133 15.249
14 HG11 VAL 3 HG11 VAL 3 1.539 -15.866 12.977
15 HG12 VAL 3 HG12 VAL 3 3.233 -15.432 13.200
16 HG13 VAL 3 HG13 VAL 3 2.145 -14.332 12.355
17 HG21 VAL 3 HG21 VAL 3 3.884 -13.695 14.800
18 HG22 VAL 3 HG22 VAL 3 2.673 -12.885 15.794
19 HG23 VAL 3 HG23 VAL 3 2.813 -12.492 14.081
20 H GLU 4 HN GLU 4 -1.127 -14.255 12.546
21 HA GLU 4 HA GLU 4 -0.031 -12.448 10.643
22 HB2 GLU 4 HB2 GLU 4 -2.681 -13.925 10.628
23 HB3 GLU 4 HB1 GLU 4 -2.052 -12.983 9.282
24 HG2 GLU 4 HG2 GLU 4 -0.736 -15.388 10.513
25 HG3 GLU 4 HG1 GLU 4 -1.674 -15.375 9.019
26 H LYS 5 HN LYS 5 -3.387 -12.264 11.980
27 HA LYS 5 HA LYS 5 -4.597 -10.498 12.647
28 HB2 LYS 5 HB2 LYS 5 -1.925 -9.087 12.873
29 HB3 LYS 5 HB1 LYS 5 -3.450 -8.475 13.493
30 HG2 LYS 5 HG2 LYS 5 -3.592 -10.315 15.059
31 HG3 LYS 5 HG1 LYS 5 -2.116 -11.020 14.394
32 HD2 LYS 5 HD2 LYS 5 -0.871 -9.010 15.072
33 HD3 LYS 5 HD1 LYS 5 -2.346 -8.343 15.770
34 HE2 LYS 5 HE2 LYS 5 -1.084 -10.948 16.611
35 HE3 LYS 5 HE1 LYS 5 -0.825 -9.410 17.428
36 HZ1 LYS 5 HZ1 LYS 5 -2.539 -10.798 18.478
37 HZ2 LYS 5 HZ2 LYS 5 -3.481 -10.692 17.078
38 HZ3 LYS 5 HZ3 LYS 5 -3.138 -9.301 17.970
39 H LEU 6 HN LEU 6 -3.675 -11.043 9.863
40 HA LEU 6 HA LEU 6 -4.313 -10.321 7.841
41 HB2 LEU 6 HB2 LEU 6 -5.085 -7.760 9.228
42 HB3 LEU 6 HB1 LEU 6 -5.308 -8.056 7.517
43 HG LEU 6 HG LEU 6 -6.592 -9.676 9.712
44 HD11 LEU 6 HD11 LEU 6 -8.646 -8.519 9.104
45 HD12 LEU 6 HD12 LEU 6 -7.750 -7.518 7.961
46 HD13 LEU 6 HD13 LEU 6 -7.427 -7.388 9.691
47 HD21 LEU 6 HD21 LEU 6 -6.283 -10.941 7.662
48 HD22 LEU 6 HD22 LEU 6 -7.006 -9.635 6.725
49 HD23 LEU 6 HD23 LEU 6 -7.985 -10.540 7.878
50 H THR 7 HN THR 7 -1.946 -8.731 9.762
51 HA THR 7 HA THR 7 -0.523 -8.141 7.419
52 HB THR 7 HB THR 7 -1.685 -6.096 7.451
53 HG1 THR 7 HG1 THR 7 0.578 -5.904 7.145
54 HG21 THR 7 HG21 THR 7 -1.777 -4.591 9.408
55 HG22 THR 7 HG22 THR 7 -0.979 -5.832 10.375
56 HG23 THR 7 HG23 THR 7 -2.583 -6.130 9.709
57 H ALA 8 HN ALA 8 1.127 -9.522 8.290
58 HA ALA 8 HA ALA 8 2.506 -8.476 10.662
59 HB1 ALA 8 HB1 ALA 8 1.655 -10.779 10.932
60 HB2 ALA 8 HB2 ALA 8 3.414 -10.706 10.999
61 HB3 ALA 8 HB3 ALA 8 2.613 -11.283 9.539
62 H ASP 9 HN ASP 9 2.676 -9.248 7.335
63 HA ASP 9 HA ASP 9 5.507 -9.387 7.041
64 HB2 ASP 9 HB2 ASP 9 3.991 -10.319 5.330
65 HB3 ASP 9 HB1 ASP 9 3.412 -8.698 4.953
66 H ALA 10 HN ALA 10 3.163 -6.812 6.804
67 HA ALA 10 HA ALA 10 4.917 -4.811 5.852
68 HB1 ALA 10 HB1 ALA 10 2.471 -4.572 5.713
69 HB2 ALA 10 HB2 ALA 10 3.221 -3.194 6.510
70 HB3 ALA 10 HB3 ALA 10 2.392 -4.414 7.471
71 H GLU 11 HN GLU 11 4.471 -6.153 9.022
72 HA GLU 11 HA GLU 11 5.658 -3.867 10.345
73 HB2 GLU 11 HB2 GLU 11 3.982 -5.161 11.582
74 HB3 GLU 11 HB1 GLU 11 4.968 -6.613 11.442
75 HG2 GLU 11 HG2 GLU 11 6.697 -5.603 12.796
76 HG3 GLU 11 HG1 GLU 11 5.774 -4.105 12.890
77 H LEU 12 HN LEU 12 6.542 -7.178 9.575
78 HA LEU 12 HA LEU 12 9.173 -7.007 10.564
79 HB2 LEU 12 HB2 LEU 12 9.696 -9.016 9.254
80 HB3 LEU 12 HB1 LEU 12 8.208 -9.189 10.149
81 HG LEU 12 HG LEU 12 7.065 -8.592 7.862
82 HD11 LEU 12 HD11 LEU 12 9.082 -7.934 6.694
83 HD12 LEU 12 HD12 LEU 12 8.290 -9.304 5.919
84 HD13 LEU 12 HD13 LEU 12 9.738 -9.560 6.897
85 HD21 LEU 12 HD21 LEU 12 7.065 -10.957 7.252
86 HD22 LEU 12 HD22 LEU 12 6.868 -10.737 8.991
87 HD23 LEU 12 HD23 LEU 12 8.429 -11.237 8.336
88 H GLN 13 HN GLN 13 7.753 -5.958 7.591
89 HA GLN 13 HA GLN 13 10.264 -5.430 6.296
90 HB2 GLN 13 HB2 GLN 13 8.155 -5.806 5.006
91 HB3 GLN 13 HB1 GLN 13 7.547 -4.271 5.617
92 HG2 GLN 13 HG2 GLN 13 9.254 -3.065 4.465
93 HG3 GLN 13 HG1 GLN 13 10.062 -4.561 3.995
94 HE21 GLN 13 HE21 GLN 13 7.408 -2.428 3.400
95 HE22 GLN 13 HE22 GLN 13 6.901 -3.153 1.913
96 H ARG 14 HN ARG 14 7.943 -3.584 8.182
97 HA ARG 14 HA ARG 14 9.193 -1.050 7.955
98 HB2 ARG 14 HB2 ARG 14 6.892 -1.369 8.903
99 HB3 ARG 14 HB1 ARG 14 7.592 -2.151 10.309
100 HG2 ARG 14 HG2 ARG 14 8.315 0.668 9.579
101 HG3 ARG 14 HG1 ARG 14 6.851 0.301 10.486
102 HD2 ARG 14 HD2 ARG 14 9.679 -0.403 11.290
103 HD3 ARG 14 HD1 ARG 14 8.692 0.883 11.985
104 HE ARG 14 HE ARG 14 7.167 -1.299 12.381
105 HH11 ARG 14 HH11 ARG 14 10.543 -0.639 13.096
106 HH12 ARG 14 HH12 ARG 14 10.592 -1.667 14.483
107 HH21 ARG 14 HH21 ARG 14 7.230 -2.673 14.238
108 HH22 ARG 14 HH22 ARG 14 8.696 -2.838 15.133
109 H LEU 15 HN LEU 15 9.654 -3.787 10.051
110 HA LEU 15 HA LEU 15 11.577 -2.747 11.809
111 HB2 LEU 15 HB2 LEU 15 10.392 -4.876 12.129
112 HB3 LEU 15 HB1 LEU 15 11.249 -5.559 10.762
113 HG LEU 15 HG LEU 15 13.375 -5.246 12.035
114 HD11 LEU 15 HD11 LEU 15 13.208 -4.906 14.458
115 HD12 LEU 15 HD12 LEU 15 11.482 -4.593 14.288
116 HD13 LEU 15 HD13 LEU 15 12.654 -3.497 13.555
117 HD21 LEU 15 HD21 LEU 15 11.252 -6.960 13.313
118 HD22 LEU 15 HD22 LEU 15 12.994 -7.166 13.486
119 HD23 LEU 15 HD23 LEU 15 12.233 -7.393 11.914
120 H LYS 16 HN LYS 16 11.834 -4.217 8.634
121 HA LYS 16 HA LYS 16 14.672 -4.318 8.486
122 HB2 LYS 16 HB2 LYS 16 13.172 -5.603 6.957
123 HB3 LYS 16 HB1 LYS 16 12.693 -4.095 6.195
124 HG2 LYS 16 HG2 LYS 16 15.023 -3.744 5.494
125 HG3 LYS 16 HG1 LYS 16 15.444 -5.306 6.201
126 HD2 LYS 16 HD2 LYS 16 13.846 -6.405 4.694
127 HD3 LYS 16 HD1 LYS 16 13.457 -4.841 3.976
128 HE2 LYS 16 HE2 LYS 16 15.812 -4.602 3.299
129 HE3 LYS 16 HE1 LYS 16 16.148 -6.199 3.961
130 HZ1 LYS 16 HZ1 LYS 16 14.651 -7.167 2.356
131 HZ2 LYS 16 HZ2 LYS 16 15.801 -6.224 1.553
132 HZ3 LYS 16 HZ3 LYS 16 14.234 -5.641 1.760
133 H ASN 17 HN ASN 17 12.279 -1.913 7.665
134 HA ASN 17 HA ASN 17 14.025 -0.057 6.379
135 HB2 ASN 17 HB2 ASN 17 11.437 0.513 7.849
136 HB3 ASN 17 HB1 ASN 17 12.245 1.600 6.733
137 HD21 ASN 17 HD21 ASN 17 9.575 0.593 6.636
138 HD22 ASN 17 HD22 ASN 17 9.409 -0.277 5.151
139 H GLU 18 HN GLU 18 12.708 -0.331 9.637
140 HA GLU 18 HA GLU 18 13.928 1.889 10.814
141 HB2 GLU 18 HB2 GLU 18 12.118 0.300 11.737
142 HB3 GLU 18 HB1 GLU 18 13.455 -0.716 12.253
143 HG2 GLU 18 HG2 GLU 18 12.803 0.597 14.109
144 HG3 GLU 18 HG1 GLU 18 14.337 1.245 13.527
145 H ARG 19 HN ARG 19 15.071 -1.371 10.269
146 HA ARG 19 HA ARG 19 17.434 -1.254 11.792
147 HB2 ARG 19 HB2 ARG 19 16.417 -3.348 10.748
148 HB3 ARG 19 HB1 ARG 19 17.120 -2.826 9.221
149 HG2 ARG 19 HG2 ARG 19 18.530 -4.471 10.240
150 HG3 ARG 19 HG1 ARG 19 19.350 -2.908 10.275
151 HD2 ARG 19 HD2 ARG 19 18.726 -2.594 12.592
152 HD3 ARG 19 HD1 ARG 19 17.794 -4.090 12.571
153 HE ARG 19 HE ARG 19 20.574 -4.419 11.897
154 HH11 ARG 19 HH11 ARG 19 18.222 -4.305 14.501
155 HH12 ARG 19 HH12 ARG 19 19.209 -5.206 15.597
156 HH21 ARG 19 HH21 ARG 19 21.874 -5.605 13.354
157 HH22 ARG 19 HH22 ARG 19 21.292 -5.946 14.943
158 H HIS 20 HN HIS 20 16.772 -0.392 8.426
159 HA HIS 20 HA HIS 20 19.452 0.331 7.801
160 HB2 HIS 20 HB2 HIS 20 16.846 1.107 6.468
161 HB3 HIS 20 HB1 HIS 20 18.433 1.541 5.851
162 HD1 HIS 20 HD1 HIS 20 16.042 -0.581 4.817
163 HD2 HIS 20 HD2 HIS 20 19.938 -1.318 6.062
164 HE1 HIS 20 HE1 HIS 20 16.670 -2.776 3.792
165 H GLU 21 HN GLU 21 16.716 2.089 9.112
166 HA GLU 21 HA GLU 21 17.785 4.683 8.866
167 HB2 GLU 21 HB2 GLU 21 15.884 3.610 10.957
168 HB3 GLU 21 HB1 GLU 21 16.186 5.312 10.629
169 HG2 GLU 21 HG2 GLU 21 15.000 3.335 8.697
170 HG3 GLU 21 HG1 GLU 21 14.111 4.544 9.618
171 H GLU 22 HN GLU 22 18.083 2.225 11.362
172 HA GLU 22 HA GLU 22 19.574 3.901 13.134
173 HB2 GLU 22 HB2 GLU 22 18.284 1.922 13.932
174 HB3 GLU 22 HB1 GLU 22 19.427 0.872 13.103
175 HG2 GLU 22 HG2 GLU 22 19.905 0.979 15.473
176 HG3 GLU 22 HG1 GLU 22 21.222 1.689 14.538
177 H ALA 23 HN ALA 23 20.386 1.851 10.381
178 HA ALA 23 HA ALA 23 23.166 1.668 11.066
179 HB1 ALA 23 HB1 ALA 23 22.036 -0.097 9.727
180 HB2 ALA 23 HB2 ALA 23 23.428 0.597 8.907
181 HB3 ALA 23 HB3 ALA 23 21.806 1.072 8.421
182 H GLU 24 HN GLU 24 21.086 3.857 9.497
183 HA GLU 24 HA GLU 24 23.056 5.246 7.950
184 HB2 GLU 24 HB2 GLU 24 20.642 5.496 7.449
185 HB3 GLU 24 HB1 GLU 24 20.375 6.246 9.014
186 HG2 GLU 24 HG2 GLU 24 20.427 7.966 7.404
187 HG3 GLU 24 HG1 GLU 24 21.937 8.064 8.306
188 H LEU 25 HN LEU 25 21.527 5.736 11.088
189 HA LEU 25 HA LEU 25 22.992 7.963 11.921
190 HB2 LEU 25 HB2 LEU 25 21.933 5.744 13.667
191 HB3 LEU 25 HB1 LEU 25 22.291 7.388 14.160
192 HG LEU 25 HG LEU 25 20.099 6.575 12.250
193 HD11 LEU 25 HD11 LEU 25 19.633 5.889 14.535
194 HD12 LEU 25 HD12 LEU 25 18.582 7.216 14.044
195 HD13 LEU 25 HD13 LEU 25 19.957 7.526 15.104
196 HD21 LEU 25 HD21 LEU 25 20.992 8.788 11.737
197 HD22 LEU 25 HD22 LEU 25 20.789 9.271 13.421
198 HD23 LEU 25 HD23 LEU 25 19.376 8.906 12.431
199 H GLU 26 HN GLU 26 23.607 4.565 12.215
200 HA GLU 26 HA GLU 26 25.970 4.543 13.710
201 HB2 GLU 26 HB2 GLU 26 25.199 2.768 11.399
202 HB3 GLU 26 HB1 GLU 26 26.658 2.509 12.342
203 HG2 GLU 26 HG2 GLU 26 25.256 2.274 14.362
204 HG3 GLU 26 HG1 GLU 26 23.821 2.406 13.347
205 H ARG 27 HN ARG 27 25.746 4.671 10.182
206 HA ARG 27 HA ARG 27 28.498 5.215 9.735
207 HB2 ARG 27 HB2 ARG 27 27.161 4.297 7.940
208 HB3 ARG 27 HB1 ARG 27 26.071 5.675 7.976
209 HG2 ARG 27 HG2 ARG 27 27.835 7.119 7.156
210 HG3 ARG 27 HG1 ARG 27 28.968 5.763 7.171
211 HD2 ARG 27 HD2 ARG 27 28.016 6.240 4.926
212 HD3 ARG 27 HD1 ARG 27 27.696 4.605 5.498
213 HE ARG 27 HE ARG 27 25.633 6.643 5.916
214 HH11 ARG 27 HH11 ARG 27 26.725 3.800 4.177
215 HH12 ARG 27 HH12 ARG 27 25.161 3.434 3.538
216 HH21 ARG 27 HH21 ARG 27 23.561 6.155 5.082
217 HH22 ARG 27 HH22 ARG 27 23.353 4.777 4.043
218 H LEU 28 HN LEU 28 25.714 7.236 10.229
219 HA LEU 28 HA LEU 28 26.789 9.714 9.416
220 HB2 LEU 28 HB2 LEU 28 24.379 9.356 9.799
221 HB3 LEU 28 HB1 LEU 28 24.673 9.191 11.519
222 HG LEU 28 HG LEU 28 25.481 11.554 11.536
223 HD11 LEU 28 HD11 LEU 28 24.888 12.979 9.640
224 HD12 LEU 28 HD12 LEU 28 24.394 11.555 8.725
225 HD13 LEU 28 HD13 LEU 28 26.083 11.763 9.192
226 HD21 LEU 28 HD21 LEU 28 22.667 11.085 10.560
227 HD22 LEU 28 HD22 LEU 28 23.242 12.515 11.416
228 HD23 LEU 28 HD23 LEU 28 23.223 10.950 12.227
229 H LYS 29 HN LYS 29 26.638 8.218 12.639
230 HA LYS 29 HA LYS 29 27.984 10.337 13.957
231 HB2 LYS 29 HB2 LYS 29 27.769 7.447 14.813
232 HB3 LYS 29 HB1 LYS 29 28.249 8.788 15.841
233 HG2 LYS 29 HG2 LYS 29 25.970 9.789 15.368
234 HG3 LYS 29 HG1 LYS 29 25.545 8.231 14.657
235 HD2 LYS 29 HD2 LYS 29 26.419 8.744 17.505
236 HD3 LYS 29 HD1 LYS 29 24.802 8.307 16.964
237 HE2 LYS 29 HE2 LYS 29 27.255 6.570 16.663
238 HE3 LYS 29 HE1 LYS 29 26.058 6.407 17.945
239 HZ1 LYS 29 HZ1 LYS 29 25.709 4.843 16.123
240 HZ2 LYS 29 HZ2 LYS 29 25.487 6.123 15.044
241 HZ3 LYS 29 HZ3 LYS 29 24.389 5.881 16.311
242 H SER 30 HN SER 30 29.102 7.732 12.026
243 HA SER 30 HA SER 30 31.768 7.692 13.115
244 HB2 SER 30 HB2 SER 30 30.769 5.662 12.061
245 HB3 SER 30 HB1 SER 30 30.755 6.497 10.507
246 HG SER 30 HG SER 30 32.990 6.558 10.547
247 H GLU 31 HN GLU 31 30.110 9.249 10.455
248 HA GLU 31 HA GLU 31 32.565 10.301 9.342
249 HB2 GLU 31 HB2 GLU 31 29.696 10.921 8.632
250 HB3 GLU 31 HB1 GLU 31 31.114 11.395 7.708
251 HG2 GLU 31 HG2 GLU 31 30.140 8.591 8.193
252 HG3 GLU 31 HG1 GLU 31 30.053 9.492 6.680
253 H ARG 32 HN ARG 32 29.644 11.631 10.859
254 HA ARG 32 HA ARG 32 30.493 14.303 10.981
255 HB2 ARG 32 HB2 ARG 32 28.539 12.814 12.733
256 HB3 ARG 32 HB1 ARG 32 28.756 14.555 12.757
257 HG2 ARG 32 HG2 ARG 32 27.840 12.950 10.373
258 HG3 ARG 32 HG1 ARG 32 26.787 13.848 11.463
259 HD2 ARG 32 HD2 ARG 32 27.022 15.487 9.931
260 HD3 ARG 32 HD1 ARG 32 28.544 15.785 10.765
261 HE ARG 32 HE ARG 32 28.962 13.863 8.750
262 HH11 ARG 32 HH11 ARG 32 28.237 17.287 9.071
263 HH12 ARG 32 HH12 ARG 32 28.969 17.716 7.565
264 HH21 ARG 32 HH21 ARG 32 29.922 14.442 6.729
265 HH22 ARG 32 HH22 ARG 32 29.912 16.100 6.234
266 H HIS 33 HN HIS 33 31.465 11.601 12.797
267 HA HIS 33 HA HIS 33 32.079 12.523 15.312
268 HB2 HIS 33 HB2 HIS 33 32.363 10.186 14.263
269 HB3 HIS 33 HB1 HIS 33 33.957 10.746 13.781
270 HD1 HIS 33 HD1 HIS 33 32.270 9.055 16.440
271 HD2 HIS 33 HD2 HIS 33 35.509 11.640 16.184
272 HE1 HIS 33 HE1 HIS 33 33.557 8.729 18.569
273 H ASP 34 HN ASP 34 33.845 13.134 12.323
274 HA ASP 34 HA ASP 34 36.024 14.483 13.768
275 HB2 ASP 34 HB2 ASP 34 36.615 13.051 11.824
276 HB3 ASP 34 HB1 ASP 34 35.643 14.074 10.775
277 H HIS 35 HN HIS 35 33.074 15.256 12.713
278 HA HIS 35 HA HIS 35 33.729 18.006 11.904
279 HB2 HIS 35 HB2 HIS 35 31.078 16.550 11.829
280 HB3 HIS 35 HB1 HIS 35 31.337 18.206 11.291
281 HD2 HIS 35 HD2 HIS 35 32.904 18.437 8.919
282 HE1 HIS 35 HE1 HIS 35 32.540 14.340 7.895
283 HE2 HIS 35 HE2 HIS 35 33.394 16.588 7.178
284 H ASP 36 HN ASP 36 33.065 16.287 14.631
285 HA ASP 36 HA ASP 36 31.227 17.913 16.025
286 HB2 ASP 36 HB2 ASP 36 31.804 16.715 17.985
287 HB3 ASP 36 HB1 ASP 36 32.002 15.551 16.686
288 H LYS 37 HN LYS 37 34.721 18.001 15.741
289 HA LYS 37 HA LYS 37 35.121 20.023 17.697
290 HB2 LYS 37 HB2 LYS 37 36.960 18.570 16.885
291 HB3 LYS 37 HB1 LYS 37 36.895 19.382 15.325
292 HG2 LYS 37 HG2 LYS 37 37.532 21.475 16.375
293 HG3 LYS 37 HG1 LYS 37 37.560 20.683 17.952
294 HD2 LYS 37 HD2 LYS 37 39.325 19.174 17.128
295 HD3 LYS 37 HD1 LYS 37 39.322 20.043 15.591
296 HE2 LYS 37 HE2 LYS 37 39.967 22.092 16.718
297 HE3 LYS 37 HE1 LYS 37 39.896 21.281 18.281
298 HZ1 LYS 37 HZ1 LYS 37 41.759 20.620 16.070
299 HZ2 LYS 37 HZ2 LYS 37 41.697 19.840 17.572
300 HZ3 LYS 37 HZ3 LYS 37 42.153 21.469 17.481
301 H LYS 38 HN LYS 38 34.096 20.134 14.415
302 HA LYS 38 HA LYS 38 34.693 22.936 14.077
303 HB2 LYS 38 HB2 LYS 38 32.968 21.189 12.313
304 HB3 LYS 38 HB1 LYS 38 33.737 22.711 11.884
305 HG2 LYS 38 HG2 LYS 38 35.938 21.620 12.223
306 HG3 LYS 38 HG1 LYS 38 35.091 20.097 12.472
307 HD2 LYS 38 HD2 LYS 38 34.100 20.329 10.217
308 HD3 LYS 38 HD1 LYS 38 35.064 21.790 9.977
309 HE2 LYS 38 HE2 LYS 38 36.091 18.995 10.453
310 HE3 LYS 38 HE1 LYS 38 36.176 19.906 8.947
311 HZ1 LYS 38 HZ1 LYS 38 37.551 20.610 11.488
312 HZ2 LYS 38 HZ2 LYS 38 37.626 21.506 10.062
313 HZ3 LYS 38 HZ3 LYS 38 38.282 19.955 10.115
314 H GLU 39 HN GLU 39 31.783 20.929 14.467
315 HA GLU 39 HA GLU 39 30.445 22.813 16.055
316 HB2 GLU 39 HB2 GLU 39 30.288 24.010 13.847
317 HB3 GLU 39 HB1 GLU 39 29.365 22.651 13.228
318 HG2 GLU 39 HG2 GLU 39 27.944 24.533 13.906
319 HG3 GLU 39 HG1 GLU 39 27.603 23.065 14.820
320 H ALA 40 HN ALA 40 28.392 22.053 16.738
321 HA ALA 40 HA ALA 40 28.256 19.218 16.780
322 HB1 ALA 40 HB1 ALA 40 27.579 20.548 18.721
323 HB2 ALA 40 HB2 ALA 40 26.284 19.485 18.184
324 HB3 ALA 40 HB3 ALA 40 26.214 21.201 17.805
325 H GLU 41 HN GLU 41 27.171 17.930 15.109
326 HA GLU 41 HA GLU 41 25.238 19.344 13.426
327 HB2 GLU 41 HB2 GLU 41 26.838 16.830 12.914
328 HB3 GLU 41 HB1 GLU 41 25.664 17.519 11.805
329 HG2 GLU 41 HG2 GLU 41 28.179 18.874 12.740
330 HG3 GLU 41 HG1 GLU 41 27.953 18.074 11.182
331 H ARG 42 HN ARG 42 25.181 17.404 16.071
332 HA ARG 42 HA ARG 42 22.591 16.573 15.793
333 HB2 ARG 42 HB2 ARG 42 23.829 14.909 14.262
334 HB3 ARG 42 HB1 ARG 42 24.608 14.318 15.721
335 HG2 ARG 42 HG2 ARG 42 22.422 13.734 16.651
336 HG3 ARG 42 HG1 ARG 42 21.650 14.319 15.176
337 HD2 ARG 42 HD2 ARG 42 22.934 12.653 13.885
338 HD3 ARG 42 HD1 ARG 42 23.607 12.037 15.393
339 HE ARG 42 HE ARG 42 20.765 11.910 14.615
340 HH11 ARG 42 HH11 ARG 42 23.492 10.667 16.455
341 HH12 ARG 42 HH12 ARG 42 22.615 9.327 17.097
342 HH21 ARG 42 HH21 ARG 42 19.616 10.109 15.453
343 HH22 ARG 42 HH22 ARG 42 20.412 8.992 16.504
344 H LYS 43 HN LYS 43 21.968 15.970 17.739
345 HA LYS 43 HA LYS 43 23.085 16.785 20.079
346 HB2 LYS 43 HB2 LYS 43 21.348 14.342 19.745
347 HB3 LYS 43 HB1 LYS 43 21.708 15.088 21.292
348 HG2 LYS 43 HG2 LYS 43 20.645 17.171 20.480
349 HG3 LYS 43 HG1 LYS 43 20.193 16.322 19.005
350 HD2 LYS 43 HD2 LYS 43 19.372 15.531 21.798
351 HD3 LYS 43 HD1 LYS 43 18.354 16.393 20.647
352 HE2 LYS 43 HE2 LYS 43 19.513 13.632 20.236
353 HE3 LYS 43 HE1 LYS 43 17.863 13.975 20.739
354 HZ1 LYS 43 HZ1 LYS 43 17.531 15.164 18.648
355 HZ2 LYS 43 HZ2 LYS 43 17.942 13.550 18.383
356 HZ3 LYS 43 HZ3 LYS 43 19.096 14.765 18.154
357 H ALA 44 HN ALA 44 23.497 13.558 18.701
358 HA ALA 44 HA ALA 44 25.058 12.341 20.632
359 HB1 ALA 44 HB1 ALA 44 25.373 12.055 17.635
360 HB2 ALA 44 HB2 ALA 44 24.279 11.124 18.663
361 HB3 ALA 44 HB3 ALA 44 26.021 10.952 18.844
362 H LEU 45 HN LEU 45 26.086 14.641 18.178
363 HA LEU 45 HA LEU 45 28.882 14.402 18.934
364 HB2 LEU 45 HB2 LEU 45 27.510 16.248 16.964
365 HB3 LEU 45 HB1 LEU 45 29.226 16.284 17.294
366 HG LEU 45 HG LEU 45 28.995 15.104 15.279
367 HD11 LEU 45 HD11 LEU 45 29.253 13.012 17.426
368 HD12 LEU 45 HD12 LEU 45 30.543 14.064 16.847
369 HD13 LEU 45 HD13 LEU 45 29.814 12.883 15.759
370 HD21 LEU 45 HD21 LEU 45 26.839 13.452 16.590
371 HD22 LEU 45 HD22 LEU 45 27.500 13.174 14.979
372 HD23 LEU 45 HD23 LEU 45 26.619 14.662 15.325
373 H GLU 46 HN GLU 46 26.218 16.617 19.355
374 HA GLU 46 HA GLU 46 27.630 18.739 20.570
375 HB2 GLU 46 HB2 GLU 46 25.249 18.911 19.791
376 HB3 GLU 46 HB1 GLU 46 24.769 17.918 21.162
377 HG2 GLU 46 HG2 GLU 46 25.509 19.614 22.700
378 HG3 GLU 46 HG1 GLU 46 26.135 20.589 21.371
379 H ASP 47 HN ASP 47 26.183 15.832 21.875
380 HA ASP 47 HA ASP 47 26.660 16.344 24.625
381 HB2 ASP 47 HB2 ASP 47 25.106 14.585 23.973
382 HB3 ASP 47 HB1 ASP 47 26.387 13.709 23.141
383 H LYS 48 HN LYS 48 28.475 14.568 22.231
384 HA LYS 48 HA LYS 48 30.710 13.825 23.672
385 HB2 LYS 48 HB2 LYS 48 30.645 14.806 20.811
386 HB3 LYS 48 HB1 LYS 48 32.043 14.047 21.557
387 HG2 LYS 48 HG2 LYS 48 29.341 12.780 21.155
388 HG3 LYS 48 HG1 LYS 48 30.793 12.469 20.202
389 HD2 LYS 48 HD2 LYS 48 31.917 11.691 22.291
390 HD3 LYS 48 HD1 LYS 48 30.374 11.867 23.131
391 HE2 LYS 48 HE2 LYS 48 30.721 9.558 22.461
392 HE3 LYS 48 HE1 LYS 48 29.358 10.259 21.589
393 HZ1 LYS 48 HZ1 LYS 48 30.789 8.961 20.134
394 HZ2 LYS 48 HZ2 LYS 48 32.109 9.947 20.517
395 HZ3 LYS 48 HZ3 LYS 48 30.791 10.588 19.678
396 H LEU 49 HN LEU 49 30.298 16.961 22.005
397 HA LEU 49 HA LEU 49 32.642 18.140 23.004
398 HB2 LEU 49 HB2 LEU 49 30.047 19.478 22.236
399 HB3 LEU 49 HB1 LEU 49 31.602 20.267 22.390
400 HG LEU 49 HG LEU 49 30.954 18.142 20.349
401 HD11 LEU 49 HD11 LEU 49 30.951 19.977 18.737
402 HD12 LEU 49 HD12 LEU 49 31.162 21.134 20.051
403 HD13 LEU 49 HD13 LEU 49 29.684 20.180 19.946
404 HD21 LEU 49 HD21 LEU 49 33.315 18.208 20.942
405 HD22 LEU 49 HD22 LEU 49 33.347 19.951 20.677
406 HD23 LEU 49 HD23 LEU 49 33.064 18.858 19.322
407 H ALA 50 HN ALA 50 29.319 18.675 23.988
408 HA ALA 50 HA ALA 50 29.741 20.241 26.248
409 HB1 ALA 50 HB1 ALA 50 27.471 18.311 25.808
410 HB2 ALA 50 HB2 ALA 50 27.548 19.972 25.218
411 HB3 ALA 50 HB3 ALA 50 27.483 19.651 26.950
412 H ASP 51 HN ASP 51 31.337 19.568 27.566
413 HA ASP 51 HA ASP 51 31.175 16.932 28.772
414 HB2 ASP 51 HB2 ASP 51 33.391 17.819 28.148
415 HB3 ASP 51 HB1 ASP 51 33.192 19.107 29.336
416 H TYR 52 HN TYR 52 29.436 16.921 29.997
417 HA TYR 52 HA TYR 52 29.571 18.565 32.431
418 HB2 TYR 52 HB2 TYR 52 27.079 17.637 30.986
419 HB3 TYR 52 HB1 TYR 52 27.082 18.392 32.573
420 HD1 TYR 52 HD1 TYR 52 26.832 18.948 29.096
421 HD2 TYR 52 HD2 TYR 52 28.195 20.757 32.694
422 HE1 TYR 52 HE1 TYR 52 26.696 21.161 28.030
423 HE2 TYR 52 HE2 TYR 52 28.062 22.971 31.638
424 HH TYR 52 HH TYR 52 28.102 23.929 29.359
Start of MODEL 15
1 H1 GLY 1 HT1 GLY 1 -5.312 -4.174 15.804
2 H2 GLY 1 HT2 GLY 1 -4.012 -4.138 16.886
3 H3 GLY 1 HT3 GLY 1 -4.686 -5.618 16.417
4 HA2 GLY 1 HA1 GLY 1 -3.271 -3.725 14.634
5 HA3 GLY 1 HA2 GLY 1 -2.588 -5.210 15.287
6 H SER 2 HN SER 2 -5.225 -3.948 13.290
7 HA SER 2 HA SER 2 -6.014 -6.471 12.276
8 HB2 SER 2 HB2 SER 2 -6.441 -3.758 11.017
9 HB3 SER 2 HB1 SER 2 -7.403 -5.215 10.768
10 HG SER 2 HG SER 2 -8.133 -5.081 12.861
11 H VAL 3 HN VAL 3 -3.989 -3.855 10.963
12 HA VAL 3 HA VAL 3 -3.451 -5.138 8.484
13 HB VAL 3 HB VAL 3 -1.835 -3.005 9.916
14 HG11 VAL 3 HG11 VAL 3 -1.844 -3.803 7.005
15 HG12 VAL 3 HG12 VAL 3 -0.548 -4.111 8.160
16 HG13 VAL 3 HG13 VAL 3 -0.947 -2.455 7.702
17 HG21 VAL 3 HG21 VAL 3 -4.153 -2.318 9.539
18 HG22 VAL 3 HG22 VAL 3 -3.996 -2.721 7.830
19 HG23 VAL 3 HG23 VAL 3 -3.042 -1.406 8.519
20 H GLU 4 HN GLU 4 -1.980 -5.130 11.601
21 HA GLU 4 HA GLU 4 0.501 -6.350 11.044
22 HB2 GLU 4 HB2 GLU 4 0.031 -5.335 13.221
23 HB3 GLU 4 HB1 GLU 4 -1.202 -6.546 13.543
24 HG2 GLU 4 HG2 GLU 4 0.583 -8.271 13.465
25 HG3 GLU 4 HG1 GLU 4 1.762 -6.963 13.341
26 H LYS 5 HN LYS 5 -2.658 -7.726 11.741
27 HA LYS 5 HA LYS 5 -1.696 -10.436 11.682
28 HB2 LYS 5 HB2 LYS 5 -3.640 -9.734 13.059
29 HB3 LYS 5 HB1 LYS 5 -4.533 -9.414 11.579
30 HG2 LYS 5 HG2 LYS 5 -4.234 -11.818 10.971
31 HG3 LYS 5 HG1 LYS 5 -3.537 -12.074 12.571
32 HD2 LYS 5 HD2 LYS 5 -5.851 -12.684 12.659
33 HD3 LYS 5 HD1 LYS 5 -5.647 -11.176 13.553
34 HE2 LYS 5 HE2 LYS 5 -6.433 -9.920 11.600
35 HE3 LYS 5 HE1 LYS 5 -6.642 -11.427 10.713
36 HZ1 LYS 5 HZ1 LYS 5 -8.289 -12.104 12.356
37 HZ2 LYS 5 HZ2 LYS 5 -8.725 -10.646 11.621
38 HZ3 LYS 5 HZ3 LYS 5 -8.090 -10.642 13.179
39 H LEU 6 HN LEU 6 -3.743 -8.425 9.580
40 HA LEU 6 HA LEU 6 -4.148 -10.301 7.560
41 HB2 LEU 6 HB2 LEU 6 -4.050 -7.298 7.334
42 HB3 LEU 6 HB1 LEU 6 -4.710 -8.381 6.127
43 HG LEU 6 HG LEU 6 -5.790 -7.995 8.917
44 HD11 LEU 6 HD11 LEU 6 -7.693 -6.957 7.795
45 HD12 LEU 6 HD12 LEU 6 -6.869 -7.126 6.245
46 HD13 LEU 6 HD13 LEU 6 -6.197 -6.073 7.491
47 HD21 LEU 6 HD21 LEU 6 -6.169 -10.259 8.191
48 HD22 LEU 6 HD22 LEU 6 -6.758 -9.697 6.627
49 HD23 LEU 6 HD23 LEU 6 -7.683 -9.358 8.091
50 H THR 7 HN THR 7 -1.363 -8.261 8.168
51 HA THR 7 HA THR 7 -0.042 -9.503 5.938
52 HB THR 7 HB THR 7 0.077 -6.512 6.356
53 HG1 THR 7 HG1 THR 7 -1.928 -6.785 5.536
54 HG21 THR 7 HG21 THR 7 1.142 -6.540 4.142
55 HG22 THR 7 HG22 THR 7 0.994 -8.297 4.092
56 HG23 THR 7 HG23 THR 7 2.041 -7.535 5.288
57 H ALA 8 HN ALA 8 1.369 -10.537 7.529
58 HA ALA 8 HA ALA 8 2.633 -9.057 9.618
59 HB1 ALA 8 HB1 ALA 8 2.239 -11.490 9.819
60 HB2 ALA 8 HB2 ALA 8 3.935 -11.070 10.035
61 HB3 ALA 8 HB3 ALA 8 3.397 -11.774 8.516
62 H ASP 9 HN ASP 9 3.181 -9.541 6.371
63 HA ASP 9 HA ASP 9 6.000 -9.194 6.141
64 HB2 ASP 9 HB2 ASP 9 4.736 -9.898 4.171
65 HB3 ASP 9 HB1 ASP 9 3.818 -8.395 4.180
66 H ALA 10 HN ALA 10 3.326 -6.985 6.443
67 HA ALA 10 HA ALA 10 4.651 -4.554 6.045
68 HB1 ALA 10 HB1 ALA 10 2.848 -3.512 7.300
69 HB2 ALA 10 HB2 ALA 10 2.340 -5.074 7.928
70 HB3 ALA 10 HB3 ALA 10 2.202 -4.724 6.202
71 H GLU 11 HN GLU 11 4.513 -6.620 8.892
72 HA GLU 11 HA GLU 11 5.687 -4.712 10.672
73 HB2 GLU 11 HB2 GLU 11 5.474 -7.731 10.870
74 HB3 GLU 11 HB1 GLU 11 6.077 -6.692 12.149
75 HG2 GLU 11 HG2 GLU 11 3.289 -6.600 11.002
76 HG3 GLU 11 HG1 GLU 11 3.760 -7.351 12.522
77 H LEU 12 HN LEU 12 6.839 -7.324 8.653
78 HA LEU 12 HA LEU 12 9.550 -7.318 9.354
79 HB2 LEU 12 HB2 LEU 12 8.138 -7.979 6.764
80 HB3 LEU 12 HB1 LEU 12 9.877 -8.000 6.874
81 HG LEU 12 HG LEU 12 9.880 -9.849 8.365
82 HD11 LEU 12 HD11 LEU 12 7.870 -10.840 9.302
83 HD12 LEU 12 HD12 LEU 12 6.886 -9.583 8.554
84 HD13 LEU 12 HD13 LEU 12 8.038 -9.163 9.821
85 HD21 LEU 12 HD21 LEU 12 9.494 -10.409 6.040
86 HD22 LEU 12 HD22 LEU 12 7.753 -10.255 6.280
87 HD23 LEU 12 HD23 LEU 12 8.645 -11.540 7.098
88 H GLN 13 HN GLN 13 7.774 -5.427 6.957
89 HA GLN 13 HA GLN 13 9.900 -3.980 5.880
90 HB2 GLN 13 HB2 GLN 13 7.022 -3.144 6.268
91 HB3 GLN 13 HB1 GLN 13 8.190 -2.256 5.302
92 HG2 GLN 13 HG2 GLN 13 7.288 -5.081 4.803
93 HG3 GLN 13 HG1 GLN 13 6.753 -3.648 3.923
94 HE21 GLN 13 HE21 GLN 13 8.186 -2.618 2.534
95 HE22 GLN 13 HE22 GLN 13 9.605 -3.400 1.933
96 H ARG 14 HN ARG 14 7.893 -3.292 8.706
97 HA ARG 14 HA ARG 14 8.978 -0.789 9.342
98 HB2 ARG 14 HB2 ARG 14 7.858 -2.909 11.187
99 HB3 ARG 14 HB1 ARG 14 8.241 -1.269 11.678
100 HG2 ARG 14 HG2 ARG 14 6.598 -0.438 10.026
101 HG3 ARG 14 HG1 ARG 14 6.158 -2.114 9.684
102 HD2 ARG 14 HD2 ARG 14 5.416 -2.449 11.934
103 HD3 ARG 14 HD1 ARG 14 6.054 -0.882 12.428
104 HE ARG 14 HE ARG 14 3.782 -1.245 10.590
105 HH11 ARG 14 HH11 ARG 14 5.387 0.499 13.180
106 HH12 ARG 14 HH12 ARG 14 4.176 1.728 13.275
107 HH21 ARG 14 HH21 ARG 14 2.152 0.382 10.743
108 HH22 ARG 14 HH22 ARG 14 2.337 1.660 11.895
109 H LEU 15 HN LEU 15 9.952 -4.018 10.302
110 HA LEU 15 HA LEU 15 12.103 -3.208 11.969
111 HB2 LEU 15 HB2 LEU 15 11.132 -5.421 12.168
112 HB3 LEU 15 HB1 LEU 15 11.623 -5.826 10.538
113 HG LEU 15 HG LEU 15 14.001 -5.629 11.262
114 HD11 LEU 15 HD11 LEU 15 14.488 -5.656 13.660
115 HD12 LEU 15 HD12 LEU 15 12.778 -5.399 14.006
116 HD13 LEU 15 HD13 LEU 15 13.705 -4.156 13.166
117 HD21 LEU 15 HD21 LEU 15 12.899 -7.790 11.121
118 HD22 LEU 15 HD22 LEU 15 12.298 -7.604 12.768
119 HD23 LEU 15 HD23 LEU 15 14.031 -7.752 12.473
120 H LYS 16 HN LYS 16 12.035 -4.389 8.619
121 HA LYS 16 HA LYS 16 14.758 -4.263 8.051
122 HB2 LYS 16 HB2 LYS 16 12.390 -3.841 6.212
123 HB3 LYS 16 HB1 LYS 16 14.043 -4.056 5.663
124 HG2 LYS 16 HG2 LYS 16 14.111 -6.292 6.367
125 HG3 LYS 16 HG1 LYS 16 12.678 -6.106 7.377
126 HD2 LYS 16 HD2 LYS 16 12.182 -7.353 5.315
127 HD3 LYS 16 HD1 LYS 16 11.287 -5.836 5.390
128 HE2 LYS 16 HE2 LYS 16 12.991 -4.805 3.924
129 HE3 LYS 16 HE1 LYS 16 13.801 -6.365 3.809
130 HZ1 LYS 16 HZ1 LYS 16 12.361 -5.924 1.904
131 HZ2 LYS 16 HZ2 LYS 16 11.015 -5.817 2.924
132 HZ3 LYS 16 HZ3 LYS 16 11.836 -7.285 2.761
133 H ASN 17 HN ASN 17 12.284 -1.768 7.690
134 HA ASN 17 HA ASN 17 14.069 0.114 6.470
135 HB2 ASN 17 HB2 ASN 17 11.610 0.198 6.104
136 HB3 ASN 17 HB1 ASN 17 11.397 0.680 7.786
137 HD21 ASN 17 HD21 ASN 17 12.466 1.643 4.637
138 HD22 ASN 17 HD22 ASN 17 12.584 3.329 4.980
139 H GLU 18 HN GLU 18 12.745 -0.222 9.746
140 HA GLU 18 HA GLU 18 13.884 2.121 10.778
141 HB2 GLU 18 HB2 GLU 18 12.068 0.909 11.888
142 HB3 GLU 18 HB1 GLU 18 13.172 -0.409 12.256
143 HG2 GLU 18 HG2 GLU 18 14.479 1.029 13.679
144 HG3 GLU 18 HG1 GLU 18 13.480 2.415 13.243
145 H ARG 19 HN ARG 19 15.097 -1.245 10.904
146 HA ARG 19 HA ARG 19 17.398 -0.545 12.385
147 HB2 ARG 19 HB2 ARG 19 18.243 -2.739 11.953
148 HB3 ARG 19 HB1 ARG 19 16.510 -2.884 12.180
149 HG2 ARG 19 HG2 ARG 19 16.228 -3.024 9.738
150 HG3 ARG 19 HG1 ARG 19 17.982 -2.934 9.552
151 HD2 ARG 19 HD2 ARG 19 18.107 -4.954 11.074
152 HD3 ARG 19 HD1 ARG 19 16.363 -5.099 10.871
153 HE ARG 19 HE ARG 19 17.422 -4.958 8.326
154 HH11 ARG 19 HH11 ARG 19 17.644 -7.106 11.102
155 HH12 ARG 19 HH12 ARG 19 18.070 -8.488 10.153
156 HH21 ARG 19 HH21 ARG 19 17.983 -6.827 7.067
157 HH22 ARG 19 HH22 ARG 19 18.257 -8.333 7.873
158 H HIS 20 HN HIS 20 16.818 -0.822 8.919
159 HA HIS 20 HA HIS 20 19.429 -0.264 8.053
160 HB2 HIS 20 HB2 HIS 20 17.581 -1.016 6.528
161 HB3 HIS 20 HB1 HIS 20 16.879 0.596 6.646
162 HD1 HIS 20 HD1 HIS 20 17.792 2.352 5.097
163 HD2 HIS 20 HD2 HIS 20 20.101 -1.101 5.149
164 HE1 HIS 20 HE1 HIS 20 19.458 2.637 3.245
165 H GLU 21 HN GLU 21 16.793 1.903 8.948
166 HA GLU 21 HA GLU 21 18.110 4.329 8.303
167 HB2 GLU 21 HB2 GLU 21 15.663 4.213 8.714
168 HB3 GLU 21 HB1 GLU 21 15.973 3.866 10.410
169 HG2 GLU 21 HG2 GLU 21 17.060 6.054 10.634
170 HG3 GLU 21 HG1 GLU 21 16.680 6.396 8.947
171 H GLU 22 HN GLU 22 17.973 2.381 11.230
172 HA GLU 22 HA GLU 22 19.468 4.142 12.859
173 HB2 GLU 22 HB2 GLU 22 19.125 1.135 13.052
174 HB3 GLU 22 HB1 GLU 22 19.951 2.107 14.255
175 HG2 GLU 22 HG2 GLU 22 17.905 3.336 14.698
176 HG3 GLU 22 HG1 GLU 22 17.058 2.407 13.465
177 H ALA 23 HN ALA 23 20.493 1.240 11.018
178 HA ALA 23 HA ALA 23 23.222 1.470 11.355
179 HB1 ALA 23 HB1 ALA 23 23.475 0.212 9.271
180 HB2 ALA 23 HB2 ALA 23 21.797 0.532 8.855
181 HB3 ALA 23 HB3 ALA 23 22.186 -0.463 10.262
182 H GLU 24 HN GLU 24 21.178 3.562 9.596
183 HA GLU 24 HA GLU 24 23.293 4.663 7.955
184 HB2 GLU 24 HB2 GLU 24 21.015 4.782 7.083
185 HB3 GLU 24 HB1 GLU 24 20.495 5.716 8.480
186 HG2 GLU 24 HG2 GLU 24 21.911 7.552 7.825
187 HG3 GLU 24 HG1 GLU 24 22.544 6.614 6.476
188 H LEU 25 HN LEU 25 21.431 5.701 10.792
189 HA LEU 25 HA LEU 25 22.851 8.051 11.351
190 HB2 LEU 25 HB2 LEU 25 20.742 7.438 12.453
191 HB3 LEU 25 HB1 LEU 25 21.544 6.113 13.271
192 HG LEU 25 HG LEU 25 22.948 7.754 14.490
193 HD11 LEU 25 HD11 LEU 25 22.888 9.584 12.901
194 HD12 LEU 25 HD12 LEU 25 22.291 10.114 14.473
195 HD13 LEU 25 HD13 LEU 25 21.154 9.782 13.166
196 HD21 LEU 25 HD21 LEU 25 20.921 6.862 15.505
197 HD22 LEU 25 HD22 LEU 25 19.970 8.148 14.762
198 HD23 LEU 25 HD23 LEU 25 21.177 8.539 15.985
199 H GLU 26 HN GLU 26 23.417 4.749 12.193
200 HA GLU 26 HA GLU 26 25.654 4.983 13.884
201 HB2 GLU 26 HB2 GLU 26 24.920 2.819 11.910
202 HB3 GLU 26 HB1 GLU 26 26.301 2.687 12.986
203 HG2 GLU 26 HG2 GLU 26 23.531 3.177 14.035
204 HG3 GLU 26 HG1 GLU 26 24.129 1.559 13.688
205 H ARG 27 HN ARG 27 25.415 4.955 10.389
206 HA ARG 27 HA ARG 27 28.256 5.138 9.950
207 HB2 ARG 27 HB2 ARG 27 25.896 5.448 8.093
208 HB3 ARG 27 HB1 ARG 27 27.555 5.670 7.579
209 HG2 ARG 27 HG2 ARG 27 28.096 3.407 8.125
210 HG3 ARG 27 HG1 ARG 27 26.490 3.151 8.808
211 HD2 ARG 27 HD2 ARG 27 25.458 3.225 6.729
212 HD3 ARG 27 HD1 ARG 27 26.818 4.055 5.975
213 HE ARG 27 HE ARG 27 27.791 2.048 5.565
214 HH11 ARG 27 HH11 ARG 27 25.276 1.553 7.971
215 HH12 ARG 27 HH12 ARG 27 25.353 -0.175 7.890
216 HH21 ARG 27 HH21 ARG 27 27.914 -0.247 5.469
217 HH22 ARG 27 HH22 ARG 27 26.861 -1.190 6.459
218 H LEU 28 HN LEU 28 25.577 7.354 10.136
219 HA LEU 28 HA LEU 28 26.863 9.626 9.064
220 HB2 LEU 28 HB2 LEU 28 24.429 9.542 9.400
221 HB3 LEU 28 HB1 LEU 28 24.653 9.511 11.138
222 HG LEU 28 HG LEU 28 25.644 11.776 11.013
223 HD11 LEU 28 HD11 LEU 28 24.777 11.651 8.132
224 HD12 LEU 28 HD12 LEU 28 26.440 11.695 8.712
225 HD13 LEU 28 HD13 LEU 28 25.378 13.078 8.975
226 HD21 LEU 28 HD21 LEU 28 23.284 11.447 11.541
227 HD22 LEU 28 HD22 LEU 28 22.890 11.502 9.823
228 HD23 LEU 28 HD23 LEU 28 23.535 12.934 10.626
229 H LYS 29 HN LYS 29 26.507 8.514 12.389
230 HA LYS 29 HA LYS 29 28.008 10.548 13.620
231 HB2 LYS 29 HB2 LYS 29 27.535 7.692 14.488
232 HB3 LYS 29 HB1 LYS 29 28.315 8.906 15.487
233 HG2 LYS 29 HG2 LYS 29 26.310 10.245 15.507
234 HG3 LYS 29 HG1 LYS 29 25.515 9.114 14.406
235 HD2 LYS 29 HD2 LYS 29 25.563 7.377 16.050
236 HD3 LYS 29 HD1 LYS 29 26.579 8.344 17.120
237 HE2 LYS 29 HE2 LYS 29 23.761 9.033 16.291
238 HE3 LYS 29 HE1 LYS 29 24.220 8.305 17.831
239 HZ1 LYS 29 HZ1 LYS 29 25.541 10.275 18.321
240 HZ2 LYS 29 HZ2 LYS 29 23.930 10.689 18.039
241 HZ3 LYS 29 HZ3 LYS 29 25.087 10.971 16.852
242 H SER 30 HN SER 30 29.055 7.220 12.796
243 HA SER 30 HA SER 30 31.713 7.523 13.454
244 HB2 SER 30 HB2 SER 30 32.080 5.647 11.761
245 HB3 SER 30 HB1 SER 30 30.929 5.330 13.059
246 HG SER 30 HG SER 30 29.325 5.332 11.671
247 H GLU 31 HN GLU 31 30.173 8.103 10.293
248 HA GLU 31 HA GLU 31 32.496 8.791 8.901
249 HB2 GLU 31 HB2 GLU 31 30.442 8.366 7.715
250 HB3 GLU 31 HB1 GLU 31 29.653 9.723 8.506
251 HG2 GLU 31 HG2 GLU 31 31.174 11.264 7.372
252 HG3 GLU 31 HG1 GLU 31 31.953 9.898 6.574
253 H ARG 32 HN ARG 32 30.162 10.913 10.563
254 HA ARG 32 HA ARG 32 31.447 13.320 10.036
255 HB2 ARG 32 HB2 ARG 32 29.144 12.926 11.076
256 HB3 ARG 32 HB1 ARG 32 29.989 12.782 12.612
257 HG2 ARG 32 HG2 ARG 32 30.945 15.054 12.213
258 HG3 ARG 32 HG1 ARG 32 29.892 15.184 10.803
259 HD2 ARG 32 HD2 ARG 32 29.101 14.919 13.691
260 HD3 ARG 32 HD1 ARG 32 28.794 16.274 12.611
261 HE ARG 32 HE ARG 32 27.483 13.636 12.466
262 HH11 ARG 32 HH11 ARG 32 27.511 17.063 11.688
263 HH12 ARG 32 HH12 ARG 32 25.857 17.089 11.190
264 HH21 ARG 32 HH21 ARG 32 25.299 13.679 11.808
265 HH22 ARG 32 HH22 ARG 32 24.596 15.154 11.241
266 H HIS 33 HN HIS 33 31.934 11.084 12.744
267 HA HIS 33 HA HIS 33 33.830 12.795 14.040
268 HB2 HIS 33 HB2 HIS 33 32.431 11.054 15.210
269 HB3 HIS 33 HB1 HIS 33 33.459 9.827 14.478
270 HD1 HIS 33 HD1 HIS 33 35.478 9.185 15.787
271 HD2 HIS 33 HD2 HIS 33 33.962 12.871 16.961
272 HE1 HIS 33 HE1 HIS 33 36.842 9.863 17.782
273 H ASP 34 HN ASP 34 33.994 10.299 11.650
274 HA ASP 34 HA ASP 34 36.888 10.050 11.835
275 HB2 ASP 34 HB2 ASP 34 35.432 8.094 11.235
276 HB3 ASP 34 HB1 ASP 34 35.025 8.907 9.728
277 H HIS 35 HN HIS 35 34.734 12.134 10.480
278 HA HIS 35 HA HIS 35 35.904 12.759 7.958
279 HB2 HIS 35 HB2 HIS 35 33.544 13.403 8.781
280 HB3 HIS 35 HB1 HIS 35 34.324 14.723 9.641
281 HD2 HIS 35 HD2 HIS 35 35.397 16.755 7.917
282 HE1 HIS 35 HE1 HIS 35 33.206 15.436 4.538
283 HE2 HIS 35 HE2 HIS 35 34.471 17.341 5.570
284 H ASP 36 HN ASP 36 37.022 13.238 11.054
285 HA ASP 36 HA ASP 36 38.462 15.683 10.624
286 HB2 ASP 36 HB2 ASP 36 38.716 13.572 12.782
287 HB3 ASP 36 HB1 ASP 36 39.690 15.031 12.725
288 H LYS 37 HN LYS 37 38.877 12.527 9.569
289 HA LYS 37 HA LYS 37 41.577 13.195 8.699
290 HB2 LYS 37 HB2 LYS 37 41.829 11.810 10.732
291 HB3 LYS 37 HB1 LYS 37 40.903 10.532 9.962
292 HG2 LYS 37 HG2 LYS 37 42.611 10.327 8.233
293 HG3 LYS 37 HG1 LYS 37 43.534 11.619 8.996
294 HD2 LYS 37 HD2 LYS 37 43.653 10.224 11.058
295 HD3 LYS 37 HD1 LYS 37 42.883 8.919 10.158
296 HE2 LYS 37 HE2 LYS 37 45.322 8.670 10.221
297 HE3 LYS 37 HE1 LYS 37 44.721 8.879 8.579
298 HZ1 LYS 37 HZ1 LYS 37 45.883 11.058 10.235
299 HZ2 LYS 37 HZ2 LYS 37 45.410 11.166 8.615
300 HZ3 LYS 37 HZ3 LYS 37 46.718 10.198 9.046
301 H LYS 38 HN LYS 38 38.977 10.752 8.461
302 HA LYS 38 HA LYS 38 39.504 10.669 5.570
303 HB2 LYS 38 HB2 LYS 38 38.675 8.380 7.369
304 HB3 LYS 38 HB1 LYS 38 38.757 8.298 5.616
305 HG2 LYS 38 HG2 LYS 38 41.159 8.689 5.686
306 HG3 LYS 38 HG1 LYS 38 41.092 8.844 7.443
307 HD2 LYS 38 HD2 LYS 38 40.302 6.538 7.613
308 HD3 LYS 38 HD1 LYS 38 40.365 6.380 5.858
309 HE2 LYS 38 HE2 LYS 38 42.716 6.958 7.659
310 HE3 LYS 38 HE1 LYS 38 42.317 5.380 6.982
311 HZ1 LYS 38 HZ1 LYS 38 43.994 6.399 5.657
312 HZ2 LYS 38 HZ2 LYS 38 43.093 7.815 5.476
313 HZ3 LYS 38 HZ3 LYS 38 42.563 6.379 4.751
314 H GLU 39 HN GLU 39 37.917 11.806 4.725
315 HA GLU 39 HA GLU 39 35.349 12.026 5.959
316 HB2 GLU 39 HB2 GLU 39 34.735 13.493 4.155
317 HB3 GLU 39 HB1 GLU 39 36.358 13.887 4.687
318 HG2 GLU 39 HG2 GLU 39 37.300 12.790 2.736
319 HG3 GLU 39 HG1 GLU 39 35.695 12.248 2.248
320 H ALA 40 HN ALA 40 36.608 10.161 3.274
321 HA ALA 40 HA ALA 40 34.110 8.642 3.206
322 HB1 ALA 40 HB1 ALA 40 33.856 10.393 1.523
323 HB2 ALA 40 HB2 ALA 40 33.938 8.790 0.794
324 HB3 ALA 40 HB3 ALA 40 35.341 9.856 0.737
325 H GLU 41 HN GLU 41 36.136 7.375 4.368
326 HA GLU 41 HA GLU 41 36.985 5.439 2.480
327 HB2 GLU 41 HB2 GLU 41 38.730 7.233 2.255
328 HB3 GLU 41 HB1 GLU 41 39.112 7.006 3.955
329 HG2 GLU 41 HG2 GLU 41 39.722 4.679 3.497
330 HG3 GLU 41 HG1 GLU 41 39.367 4.934 1.789
331 H ARG 42 HN ARG 42 35.844 4.070 3.764
332 HA ARG 42 HA ARG 42 37.113 3.274 6.201
333 HB2 ARG 42 HB2 ARG 42 34.215 4.030 5.884
334 HB3 ARG 42 HB1 ARG 42 34.740 2.899 7.120
335 HG2 ARG 42 HG2 ARG 42 35.923 4.525 8.277
336 HG3 ARG 42 HG1 ARG 42 35.977 5.609 6.886
337 HD2 ARG 42 HD2 ARG 42 33.467 4.854 8.367
338 HD3 ARG 42 HD1 ARG 42 34.400 6.319 8.670
339 HE ARG 42 HE ARG 42 32.727 5.743 6.361
340 HH11 ARG 42 HH11 ARG 42 35.174 7.824 7.795
341 HH12 ARG 42 HH12 ARG 42 34.782 9.189 6.817
342 HH21 ARG 42 HH21 ARG 42 32.212 7.559 5.022
343 HH22 ARG 42 HH22 ARG 42 33.086 9.038 5.223
344 H LYS 43 HN LYS 43 37.431 1.353 6.045
345 HA LYS 43 HA LYS 43 36.383 -0.379 4.000
346 HB2 LYS 43 HB2 LYS 43 38.237 -1.027 6.300
347 HB3 LYS 43 HB1 LYS 43 37.917 -2.057 4.915
348 HG2 LYS 43 HG2 LYS 43 38.931 -0.395 3.437
349 HG3 LYS 43 HG1 LYS 43 39.233 0.654 4.823
350 HD2 LYS 43 HD2 LYS 43 40.700 -1.018 5.795
351 HD3 LYS 43 HD1 LYS 43 40.348 -2.126 4.472
352 HE2 LYS 43 HE2 LYS 43 41.339 -0.545 2.888
353 HE3 LYS 43 HE1 LYS 43 41.693 0.560 4.216
354 HZ1 LYS 43 HZ1 LYS 43 42.793 -2.182 3.911
355 HZ2 LYS 43 HZ2 LYS 43 43.141 -1.118 5.174
356 HZ3 LYS 43 HZ3 LYS 43 43.631 -0.747 3.602
357 H ALA 44 HN ALA 44 35.602 0.352 7.224
358 HA ALA 44 HA ALA 44 34.501 -2.204 7.948
359 HB1 ALA 44 HB1 ALA 44 34.020 0.475 9.266
360 HB2 ALA 44 HB2 ALA 44 35.329 -0.640 9.669
361 HB3 ALA 44 HB3 ALA 44 33.653 -1.110 9.940
362 H LEU 45 HN LEU 45 33.213 0.772 6.566
363 HA LEU 45 HA LEU 45 30.491 -0.179 6.808
364 HB2 LEU 45 HB2 LEU 45 31.566 2.317 5.499
365 HB3 LEU 45 HB1 LEU 45 29.882 1.972 5.844
366 HG LEU 45 HG LEU 45 32.060 2.454 7.874
367 HD11 LEU 45 HD11 LEU 45 31.373 4.491 6.825
368 HD12 LEU 45 HD12 LEU 45 30.683 4.428 8.447
369 HD13 LEU 45 HD13 LEU 45 29.675 4.085 7.043
370 HD21 LEU 45 HD21 LEU 45 30.558 0.814 8.767
371 HD22 LEU 45 HD22 LEU 45 29.156 1.743 8.250
372 HD23 LEU 45 HD23 LEU 45 30.201 2.365 9.529
373 H GLU 46 HN GLU 46 33.009 -0.469 4.706
374 HA GLU 46 HA GLU 46 31.372 -0.633 2.273
375 HB2 GLU 46 HB2 GLU 46 33.672 0.429 2.204
376 HB3 GLU 46 HB1 GLU 46 34.342 -1.177 2.473
377 HG2 GLU 46 HG2 GLU 46 33.212 -1.943 0.409
378 HG3 GLU 46 HG1 GLU 46 32.682 -0.285 0.126
379 H ASP 47 HN ASP 47 32.767 -2.569 4.695
380 HA ASP 47 HA ASP 47 33.146 -5.021 3.400
381 HB2 ASP 47 HB2 ASP 47 34.054 -4.737 5.603
382 HB3 ASP 47 HB1 ASP 47 32.460 -4.439 6.290
383 H LYS 48 HN LYS 48 30.188 -3.647 4.783
384 HA LYS 48 HA LYS 48 28.764 -5.813 3.518
385 HB2 LYS 48 HB2 LYS 48 29.114 -6.461 5.886
386 HB3 LYS 48 HB1 LYS 48 28.297 -4.997 6.403
387 HG2 LYS 48 HG2 LYS 48 26.222 -5.765 5.465
388 HG3 LYS 48 HG1 LYS 48 27.016 -7.183 4.779
389 HD2 LYS 48 HD2 LYS 48 26.888 -6.586 7.735
390 HD3 LYS 48 HD1 LYS 48 25.750 -7.633 6.892
391 HE2 LYS 48 HE2 LYS 48 28.736 -8.046 7.038
392 HE3 LYS 48 HE1 LYS 48 27.542 -8.887 8.020
393 HZ1 LYS 48 HZ1 LYS 48 28.266 -10.189 6.113
394 HZ2 LYS 48 HZ2 LYS 48 27.682 -9.009 5.056
395 HZ3 LYS 48 HZ3 LYS 48 26.613 -9.863 6.049
396 H LEU 49 HN LEU 49 26.342 -5.168 3.133
397 HA LEU 49 HA LEU 49 26.213 -2.443 2.375
398 HB2 LEU 49 HB2 LEU 49 25.062 -4.358 1.183
399 HB3 LEU 49 HB1 LEU 49 23.928 -4.442 2.516
400 HG LEU 49 HG LEU 49 23.132 -3.286 0.414
401 HD11 LEU 49 HD11 LEU 49 23.042 -1.704 2.973
402 HD12 LEU 49 HD12 LEU 49 21.946 -3.003 2.501
403 HD13 LEU 49 HD13 LEU 49 21.963 -1.491 1.594
404 HD21 LEU 49 HD21 LEU 49 25.156 -2.058 -0.121
405 HD22 LEU 49 HD22 LEU 49 25.002 -1.124 1.366
406 HD23 LEU 49 HD23 LEU 49 23.799 -0.954 0.091
407 H ALA 50 HN ALA 50 24.141 -4.247 4.649
408 HA ALA 50 HA ALA 50 23.240 -1.772 5.815
409 HB1 ALA 50 HB1 ALA 50 21.713 -3.684 5.573
410 HB2 ALA 50 HB2 ALA 50 21.863 -3.174 7.254
411 HB3 ALA 50 HB3 ALA 50 22.711 -4.613 6.691
412 H ASP 51 HN ASP 51 25.463 -4.329 6.559
413 HA ASP 51 HA ASP 51 26.819 -4.816 8.333
414 HB2 ASP 51 HB2 ASP 51 28.013 -2.943 7.222
415 HB3 ASP 51 HB1 ASP 51 27.236 -1.825 8.340
416 H TYR 52 HN TYR 52 25.569 -5.622 9.942
417 HA TYR 52 HA TYR 52 24.188 -3.762 11.691
418 HB2 TYR 52 HB2 TYR 52 23.069 -5.796 10.645
419 HB3 TYR 52 HB1 TYR 52 24.095 -6.784 11.672
420 HD1 TYR 52 HD1 TYR 52 21.431 -4.210 11.718
421 HD2 TYR 52 HD2 TYR 52 23.494 -7.211 13.915
422 HE1 TYR 52 HE1 TYR 52 19.749 -4.053 13.499
423 HE2 TYR 52 HE2 TYR 52 21.818 -7.059 15.706
424 HH TYR 52 HH TYR 52 20.185 -5.368 16.556