Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
647297 | 6o8j RC | 30586 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 H1 ALA 1 HT1 ALA 1 42.824 2.411 -8.741
2 H2 ALA 1 HT2 ALA 1 43.446 2.802 -7.209
3 H3 ALA 1 HT3 ALA 1 44.415 1.984 -8.341
4 HA ALA 1 HA ALA 1 45.237 3.972 -8.763
5 HB1 ALA 1 HB1 ALA 1 42.568 4.459 -10.115
6 HB2 ALA 1 HB2 ALA 1 43.751 3.275 -10.726
7 HB3 ALA 1 HB3 ALA 1 44.184 4.999 -10.629
8 H GLY 2 HN GLY 2 45.304 6.227 -8.391
9 HA2 GLY 2 HA1 GLY 2 43.681 7.051 -6.069
10 HA3 GLY 2 HA2 GLY 2 44.993 7.974 -6.847
11 H LYS 3 HN LYS 3 42.092 6.469 -8.176
12 HA LYS 3 HA LYS 3 41.228 9.174 -9.010
13 HB2 LYS 3 HB2 LYS 3 40.264 6.399 -9.813
14 HB3 LYS 3 HB1 LYS 3 39.406 7.887 -10.280
15 HG2 LYS 3 HG2 LYS 3 41.355 8.706 -11.487
16 HG3 LYS 3 HG1 LYS 3 42.341 7.345 -10.900
17 HD2 LYS 3 HD2 LYS 3 40.719 5.778 -12.058
18 HD3 LYS 3 HD1 LYS 3 39.947 7.210 -12.781
19 HE2 LYS 3 HE2 LYS 3 42.768 6.169 -13.202
20 HE3 LYS 3 HE1 LYS 3 41.514 6.502 -14.421
21 HZ1 LYS 3 HZ1 LYS 3 43.021 8.481 -12.790
22 HZ2 LYS 3 HZ2 LYS 3 41.669 8.881 -13.737
23 HZ3 LYS 3 HZ3 LYS 3 43.075 8.275 -14.472
24 H GLU 4 HN GLU 4 40.868 6.736 -6.812
25 HA GLU 4 HA GLU 4 38.296 7.714 -5.752
26 HB2 GLU 4 HB2 GLU 4 40.439 6.360 -4.046
27 HB3 GLU 4 HB1 GLU 4 38.660 6.177 -3.991
28 HG2 GLU 4 HG2 GLU 4 40.501 5.071 -6.157
29 HG3 GLU 4 HG1 GLU 4 39.670 4.129 -4.897
30 H THR 5 HN THR 5 41.504 8.641 -6.357
31 HA THR 5 HA THR 5 43.010 9.825 -4.936
32 HB THR 5 HB THR 5 40.982 12.079 -5.334
33 HG1 THR 5 HG1 THR 5 40.877 11.598 -7.352
34 HG21 THR 5 HG21 THR 5 42.952 13.386 -5.860
35 HG22 THR 5 HG22 THR 5 43.970 11.926 -5.906
36 HG23 THR 5 HG23 THR 5 43.282 12.485 -4.362
37 H ILE 6 HN ILE 6 42.695 8.731 -3.266
38 HA ILE 6 HA ILE 6 42.896 9.679 -0.819
39 HB ILE 6 HB ILE 6 39.956 9.782 -1.564
40 HG12 ILE 6 HG12 ILE 6 41.545 11.750 -0.829
41 HG13 ILE 6 HG11 ILE 6 39.897 11.691 -0.177
42 HG21 ILE 6 HG21 ILE 6 40.893 8.627 1.095
43 HG22 ILE 6 HG22 ILE 6 39.812 7.876 -0.102
44 HG23 ILE 6 HG23 ILE 6 39.270 9.295 0.816
45 HD11 ILE 6 HD1 ILE 6 40.677 10.839 1.938
46 HD12 ILE 6 HD2 ILE 6 41.755 12.185 1.509
47 HD13 ILE 6 HD3 ILE 6 42.298 10.509 1.286
48 H ARG 7 HN ARG 7 42.468 7.688 -3.347
49 HA ARG 7 HA ARG 7 41.595 5.143 -2.264
50 HB2 ARG 7 HB2 ARG 7 42.435 5.613 -4.683
51 HB3 ARG 7 HB1 ARG 7 44.073 5.451 -4.030
52 HG2 ARG 7 HG2 ARG 7 42.962 3.162 -3.000
53 HG3 ARG 7 HG1 ARG 7 41.961 3.340 -4.458
54 HD2 ARG 7 HD2 ARG 7 43.824 2.006 -5.126
55 HD3 ARG 7 HD1 ARG 7 44.180 3.637 -5.743
56 HE ARG 7 HE ARG 7 45.279 3.135 -3.072
57 HH11 ARG 7 HH11 ARG 7 47.090 1.398 -3.579
58 HH12 ARG 7 HH12 ARG 7 48.212 1.985 -4.760
59 HH21 ARG 7 HH21 ARG 7 46.136 4.539 -5.853
60 HH22 ARG 7 HH22 ARG 7 47.672 3.762 -6.049
61 H GLN 8 HN GLN 8 44.300 7.087 -1.868
62 HA GLN 8 HA GLN 8 45.393 6.841 0.436
63 HB2 GLN 8 HB2 GLN 8 45.889 4.121 -0.842
64 HB3 GLN 8 HB1 GLN 8 47.156 4.837 0.168
65 HG2 GLN 8 HG2 GLN 8 45.822 4.835 2.117
66 HG3 GLN 8 HG1 GLN 8 44.305 4.676 1.211
67 HE21 GLN 8 HE21 GLN 8 44.950 2.521 -0.543
68 HE22 GLN 8 HE22 GLN 8 45.242 1.079 0.434
69 H TYR 9 HN TYR 9 45.346 7.157 -2.729
70 HA TYR 9 HA TYR 9 48.152 7.581 -3.360
71 HB2 TYR 9 HB2 TYR 9 46.282 7.145 -5.040
72 HB3 TYR 9 HB1 TYR 9 45.728 8.809 -4.734
73 HD1 TYR 9 HD1 TYR 9 47.145 10.750 -5.347
74 HD2 TYR 9 HD2 TYR 9 48.345 6.706 -6.259
75 HE1 TYR 9 HE1 TYR 9 48.862 11.616 -6.932
76 HE2 TYR 9 HE2 TYR 9 50.060 7.571 -7.845
77 HH TYR 9 HH TYR 9 50.309 10.311 -9.130
78 H LEU 10 HN LEU 10 45.579 9.300 -1.763
79 HA LEU 10 HA LEU 10 46.793 11.966 -2.073
80 HB2 LEU 10 HB2 LEU 10 44.384 11.655 -1.536
81 HB3 LEU 10 HB1 LEU 10 44.825 10.890 0.004
82 HG LEU 10 HG LEU 10 46.110 13.570 -0.424
83 HD11 LEU 10 HD11 LEU 10 43.089 13.376 -0.051
84 HD12 LEU 10 HD12 LEU 10 43.924 14.025 -1.481
85 HD13 LEU 10 HD13 LEU 10 44.061 14.860 0.085
86 HD21 LEU 10 HD21 LEU 10 44.342 12.615 1.869
87 HD22 LEU 10 HD22 LEU 10 45.617 13.858 1.904
88 HD23 LEU 10 HD23 LEU 10 46.050 12.142 1.723
89 H LYS 11 HN LYS 11 47.529 9.136 -0.633
90 HA LYS 11 HA LYS 11 49.470 10.334 1.344
91 HB2 LYS 11 HB2 LYS 11 47.937 7.720 1.541
92 HB3 LYS 11 HB1 LYS 11 49.097 8.369 2.723
93 HG2 LYS 11 HG2 LYS 11 47.618 10.197 3.291
94 HG3 LYS 11 HG1 LYS 11 46.550 9.835 1.919
95 HD2 LYS 11 HD2 LYS 11 45.626 9.019 4.097
96 HD3 LYS 11 HD1 LYS 11 45.894 7.706 2.927
97 HE2 LYS 11 HE2 LYS 11 47.814 6.916 4.069
98 HE3 LYS 11 HE1 LYS 11 48.030 8.444 4.959
99 HZ1 LYS 11 HZ1 LYS 11 46.686 7.728 6.553
100 HZ2 LYS 11 HZ2 LYS 11 46.696 6.195 5.824
101 HZ3 LYS 11 HZ3 LYS 11 45.466 7.306 5.454
102 H ASN 12 HN ASN 12 48.993 8.779 -1.552
103 HA ASN 12 HA ASN 12 50.418 7.363 -2.743
104 HB2 ASN 12 HB2 ASN 12 51.865 9.327 -2.451
105 HB3 ASN 12 HB1 ASN 12 52.502 8.601 -0.960
106 HD21 ASN 12 HD21 ASN 12 54.681 8.333 -1.794
107 HD22 ASN 12 HD22 ASN 12 55.034 7.170 -3.076
108 H GLU 13 HN GLU 13 49.401 6.675 0.166
109 HA GLU 13 HA GLU 13 49.412 4.713 1.435
110 HB2 GLU 13 HB2 GLU 13 50.026 3.648 -0.902
111 HB3 GLU 13 HB1 GLU 13 51.665 3.537 -0.224
112 HG2 GLU 13 HG2 GLU 13 50.790 2.273 1.716
113 HG3 GLU 13 HG1 GLU 13 49.143 2.383 1.048
114 H ILE 14 HN ILE 14 51.786 6.847 0.882
115 HA ILE 14 HA ILE 14 53.442 6.231 3.282
116 HB ILE 14 HB ILE 14 55.118 7.453 1.385
117 HG12 ILE 14 HG12 ILE 14 53.680 5.045 0.251
118 HG13 ILE 14 HG11 ILE 14 53.682 6.703 -0.385
119 HG21 ILE 14 HG21 ILE 14 56.579 5.617 1.748
120 HG22 ILE 14 HG22 ILE 14 55.232 4.505 2.083
121 HG23 ILE 14 HG23 ILE 14 55.675 5.749 3.267
122 HD11 ILE 14 HD1 ILE 14 56.266 6.451 -0.510
123 HD12 ILE 14 HD2 ILE 14 55.288 5.594 -1.726
124 HD13 ILE 14 HD3 ILE 14 55.957 4.706 -0.337
125 H LYS 15 HN LYS 15 51.601 8.676 1.585
126 HA LYS 15 HA LYS 15 51.635 10.910 2.215
127 HB2 LYS 15 HB2 LYS 15 52.697 9.864 4.855
128 HB3 LYS 15 HB1 LYS 15 52.064 11.484 4.577
129 HG2 LYS 15 HG2 LYS 15 49.899 10.360 3.836
130 HG3 LYS 15 HG1 LYS 15 50.576 8.846 4.477
131 HD2 LYS 15 HD2 LYS 15 50.463 11.345 6.219
132 HD3 LYS 15 HD1 LYS 15 49.038 10.304 6.034
133 HE2 LYS 15 HE2 LYS 15 50.239 8.380 6.899
134 HE3 LYS 15 HE1 LYS 15 51.773 9.277 6.909
135 HZ1 LYS 15 HZ1 LYS 15 50.888 10.768 8.553
136 HZ2 LYS 15 HZ2 LYS 15 50.705 9.172 9.105
137 HZ3 LYS 15 HZ3 LYS 15 49.367 10.021 8.493
138 H LYS 16 HN LYS 16 53.408 9.248 0.813
139 HA LYS 16 HA LYS 16 55.568 9.205 -0.036
140 HB2 LYS 16 HB2 LYS 16 55.226 12.109 0.786
141 HB3 LYS 16 HB1 LYS 16 56.655 11.506 -0.106
142 HG2 LYS 16 HG2 LYS 16 53.870 10.828 -1.142
143 HG3 LYS 16 HG1 LYS 16 54.513 12.442 -1.462
144 HD2 LYS 16 HD2 LYS 16 56.600 11.295 -2.432
145 HD3 LYS 16 HD1 LYS 16 55.704 9.766 -2.305
146 HE2 LYS 16 HE2 LYS 16 53.878 10.754 -3.695
147 HE3 LYS 16 HE1 LYS 16 54.860 12.227 -3.888
148 HZ1 LYS 16 HZ1 LYS 16 56.628 10.810 -4.836
149 HZ2 LYS 16 HZ2 LYS 16 55.203 10.793 -5.763
150 HZ3 LYS 16 HZ3 LYS 16 55.585 9.474 -4.762
151 H LYS 17 HN LYS 17 54.830 8.523 2.691
152 HA LYS 17 HA LYS 17 56.047 7.681 4.465
153 HB2 LYS 17 HB2 LYS 17 58.180 8.148 2.964
154 HB3 LYS 17 HB1 LYS 17 58.379 9.557 4.025
155 HG2 LYS 17 HG2 LYS 17 58.401 8.103 6.011
156 HG3 LYS 17 HG1 LYS 17 58.099 6.674 4.994
157 HD2 LYS 17 HD2 LYS 17 60.248 7.272 3.734
158 HD3 LYS 17 HD1 LYS 17 60.574 8.444 5.032
159 HE2 LYS 17 HE2 LYS 17 60.191 5.438 5.358
160 HE3 LYS 17 HE1 LYS 17 61.713 6.341 5.547
161 HZ1 LYS 17 HZ1 LYS 17 60.843 6.024 7.700
162 HZ2 LYS 17 HZ2 LYS 17 59.276 6.494 7.240
163 HZ3 LYS 17 HZ3 LYS 17 60.525 7.645 7.318
164 H GLY 18 HN GLY 18 54.278 10.315 4.136
165 HA2 GLY 18 HA1 GLY 18 53.610 11.241 6.474
166 HA3 GLY 18 HA2 GLY 18 55.331 11.622 6.688
167 H ARG 19 HN ARG 19 53.523 12.017 3.682
168 HA ARG 19 HA ARG 19 53.483 13.902 2.373
169 HB2 ARG 19 HB2 ARG 19 53.017 15.034 5.156
170 HB3 ARG 19 HB1 ARG 19 53.438 16.168 3.856
171 HG2 ARG 19 HG2 ARG 19 51.229 14.123 3.408
172 HG3 ARG 19 HG1 ARG 19 50.887 15.596 4.343
173 HD2 ARG 19 HD2 ARG 19 51.722 16.980 2.443
174 HD3 ARG 19 HD1 ARG 19 51.997 15.497 1.499
175 HE ARG 19 HE ARG 19 49.310 15.395 2.323
176 HH11 ARG 19 HH11 ARG 19 51.406 16.857 0.064
177 HH12 ARG 19 HH12 ARG 19 50.153 17.705 -0.778
178 HH21 ARG 19 HH21 ARG 19 47.659 16.758 1.438
179 HH22 ARG 19 HH22 ARG 19 48.031 17.649 0.000
180 H LYS 20 HN LYS 20 55.820 12.455 3.814
181 HA LYS 20 HA LYS 20 57.738 14.481 4.477
182 HB2 LYS 20 HB2 LYS 20 58.398 11.903 3.196
183 HB3 LYS 20 HB1 LYS 20 59.518 13.262 3.512
184 HG2 LYS 20 HG2 LYS 20 58.797 13.113 5.981
185 HG3 LYS 20 HG1 LYS 20 58.040 11.567 5.574
186 HD2 LYS 20 HD2 LYS 20 60.253 10.759 4.702
187 HD3 LYS 20 HD1 LYS 20 60.975 12.282 5.247
188 HE2 LYS 20 HE2 LYS 20 61.260 10.405 6.896
189 HE3 LYS 20 HE1 LYS 20 60.387 11.805 7.562
190 HZ1 LYS 20 HZ1 LYS 20 59.516 9.227 7.585
191 HZ2 LYS 20 HZ2 LYS 20 58.657 9.899 6.283
192 HZ3 LYS 20 HZ3 LYS 20 58.549 10.599 7.829
193 H ALA 21 HN ALA 21 56.447 13.159 1.634
194 HA ALA 21 HA ALA 21 58.432 14.112 -0.212
195 HB1 ALA 21 HB1 ALA 21 56.564 13.371 -1.364
196 HB2 ALA 21 HB2 ALA 21 56.287 15.110 -1.493
197 HB3 ALA 21 HB3 ALA 21 55.476 14.178 -0.224
198 H VAL 22 HN VAL 22 58.065 15.319 2.186
199 HA VAL 22 HA VAL 22 59.239 17.746 1.931
200 HB VAL 22 HB VAL 22 57.431 18.812 0.663
201 HG11 VAL 22 HG11 VAL 22 55.693 18.009 3.035
202 HG12 VAL 22 HG12 VAL 22 55.596 17.351 1.384
203 HG13 VAL 22 HG13 VAL 22 55.168 19.051 1.693
204 HG21 VAL 22 HG21 VAL 22 57.095 20.784 1.972
205 HG22 VAL 22 HG22 VAL 22 58.657 20.121 2.506
206 HG23 VAL 22 HG23 VAL 22 57.202 19.882 3.503
207 H ILE 23 HN ILE 23 56.899 15.969 4.114
208 HA ILE 23 HA ILE 23 57.825 17.744 6.246
209 HB ILE 23 HB ILE 23 56.966 14.815 6.517
210 HG12 ILE 23 HG12 ILE 23 55.173 16.100 5.460
211 HG13 ILE 23 HG11 ILE 23 54.741 15.785 7.153
212 HG21 ILE 23 HG21 ILE 23 56.328 15.880 8.887
213 HG22 ILE 23 HG22 ILE 23 57.625 17.023 8.472
214 HG23 ILE 23 HG23 ILE 23 57.969 15.284 8.560
215 HD11 ILE 23 HD1 ILE 23 55.609 18.386 5.851
216 HD12 ILE 23 HD2 ILE 23 55.812 18.149 7.600
217 HD13 ILE 23 HD3 ILE 23 54.195 18.065 6.877
218 H ALA 24 HN ALA 24 59.530 15.966 3.967
219 HA ALA 24 HA ALA 24 62.019 16.321 4.853
220 HB1 ALA 24 HB1 ALA 24 62.623 14.078 6.166
221 HB2 ALA 24 HB2 ALA 24 60.914 14.164 6.648
222 HB3 ALA 24 HB3 ALA 24 62.021 15.499 7.042
223 H TRP 25 HN TRP 25 60.637 15.715 2.608
224 HA TRP 25 HA TRP 25 60.767 14.469 0.639
225 HB2 TRP 25 HB2 TRP 25 63.601 14.047 1.669
226 HB3 TRP 25 HB1 TRP 25 63.059 13.815 -0.011
227 HD1 TRP 25 HD1 TRP 25 63.848 16.507 2.559
228 HE1 TRP 25 HE1 TRP 25 63.913 18.839 1.409
229 HE3 TRP 25 HE3 TRP 25 62.064 15.182 -2.054
230 HZ2 TRP 25 HZ2 TRP 25 63.270 19.945 -1.172
231 HZ3 TRP 25 HZ3 TRP 25 61.798 16.892 -3.844
232 HH2 TRP 25 HH2 TRP 25 62.399 19.269 -3.408
Start of MODEL 2
1 H1 ALA 1 HT1 ALA 1 45.979 2.620 -7.589
2 H2 ALA 1 HT2 ALA 1 44.476 1.869 -7.333
3 H3 ALA 1 HT3 ALA 1 45.094 2.958 -6.184
4 HA ALA 1 HA ALA 1 44.961 4.148 -8.736
5 HB1 ALA 1 HB1 ALA 1 42.387 4.250 -8.664
6 HB2 ALA 1 HB2 ALA 1 42.484 2.825 -7.603
7 HB3 ALA 1 HB3 ALA 1 43.125 2.745 -9.259
8 H GLY 2 HN GLY 2 43.000 5.952 -8.306
9 HA2 GLY 2 HA1 GLY 2 43.002 6.957 -5.561
10 HA3 GLY 2 HA2 GLY 2 44.085 7.867 -6.641
11 H LYS 3 HN LYS 3 41.012 6.222 -7.234
12 HA LYS 3 HA LYS 3 39.918 8.850 -8.036
13 HB2 LYS 3 HB2 LYS 3 39.582 6.784 -9.553
14 HB3 LYS 3 HB1 LYS 3 38.512 6.165 -8.272
15 HG2 LYS 3 HG2 LYS 3 37.103 8.191 -8.461
16 HG3 LYS 3 HG1 LYS 3 38.175 8.822 -9.735
17 HD2 LYS 3 HD2 LYS 3 37.687 6.752 -11.088
18 HD3 LYS 3 HD1 LYS 3 36.498 6.277 -9.850
19 HE2 LYS 3 HE2 LYS 3 35.185 8.286 -10.252
20 HE3 LYS 3 HE1 LYS 3 36.428 8.929 -11.351
21 HZ1 LYS 3 HZ1 LYS 3 34.282 7.411 -12.074
22 HZ2 LYS 3 HZ2 LYS 3 35.557 6.288 -12.070
23 HZ3 LYS 3 HZ3 LYS 3 35.662 7.693 -13.020
24 H GLU 4 HN GLU 4 40.054 6.538 -5.683
25 HA GLU 4 HA GLU 4 37.754 7.605 -4.169
26 HB2 GLU 4 HB2 GLU 4 40.166 6.268 -2.859
27 HB3 GLU 4 HB1 GLU 4 38.427 6.114 -2.469
28 HG2 GLU 4 HG2 GLU 4 39.826 4.901 -4.894
29 HG3 GLU 4 HG1 GLU 4 39.222 4.020 -3.471
30 H THR 5 HN THR 5 40.760 8.480 -5.476
31 HA THR 5 HA THR 5 42.549 9.673 -4.419
32 HB THR 5 HB THR 5 41.599 11.273 -5.973
33 HG1 THR 5 HG1 THR 5 41.682 12.582 -3.455
34 HG21 THR 5 HG21 THR 5 39.533 12.012 -3.863
35 HG22 THR 5 HG22 THR 5 39.217 10.859 -5.181
36 HG23 THR 5 HG23 THR 5 39.599 12.556 -5.555
37 H ILE 6 HN ILE 6 42.578 8.603 -2.705
38 HA ILE 6 HA ILE 6 43.298 9.551 -0.356
39 HB ILE 6 HB ILE 6 40.257 9.683 -0.472
40 HG12 ILE 6 HG12 ILE 6 41.975 11.165 1.545
41 HG13 ILE 6 HG11 ILE 6 42.124 11.635 -0.158
42 HG21 ILE 6 HG21 ILE 6 40.200 9.365 2.059
43 HG22 ILE 6 HG22 ILE 6 41.836 8.686 1.936
44 HG23 ILE 6 HG23 ILE 6 40.472 7.883 1.116
45 HD11 ILE 6 HD1 ILE 6 39.653 11.968 -0.271
46 HD12 ILE 6 HD2 ILE 6 40.414 13.008 0.957
47 HD13 ILE 6 HD3 ILE 6 39.531 11.545 1.453
48 H ARG 7 HN ARG 7 42.323 7.571 -2.714
49 HA ARG 7 HA ARG 7 41.652 5.049 -1.445
50 HB2 ARG 7 HB2 ARG 7 41.920 5.566 -4.001
51 HB3 ARG 7 HB1 ARG 7 43.648 5.279 -3.749
52 HG2 ARG 7 HG2 ARG 7 43.189 3.025 -2.897
53 HG3 ARG 7 HG1 ARG 7 41.437 3.302 -3.038
54 HD2 ARG 7 HD2 ARG 7 41.848 3.762 -5.531
55 HD3 ARG 7 HD1 ARG 7 43.488 3.118 -5.277
56 HE ARG 7 HE ARG 7 42.551 0.944 -5.088
57 HH11 ARG 7 HH11 ARG 7 40.348 2.466 -6.770
58 HH12 ARG 7 HH12 ARG 7 38.929 1.784 -6.045
59 HH21 ARG 7 HH21 ARG 7 40.635 0.454 -3.332
60 HH22 ARG 7 HH22 ARG 7 39.092 0.644 -4.098
61 H GLN 8 HN GLN 8 44.365 6.995 -1.628
62 HA GLN 8 HA GLN 8 45.958 6.730 0.335
63 HB2 GLN 8 HB2 GLN 8 46.174 4.006 -1.024
64 HB3 GLN 8 HB1 GLN 8 47.591 4.712 -0.231
65 HG2 GLN 8 HG2 GLN 8 46.644 4.628 1.914
66 HG3 GLN 8 HG1 GLN 8 44.976 4.611 1.308
67 HE21 GLN 8 HE21 GLN 8 45.035 2.676 2.996
68 HE22 GLN 8 HE22 GLN 8 45.434 1.099 2.307
69 H TYR 9 HN TYR 9 45.183 7.366 -2.555
70 HA TYR 9 HA TYR 9 47.861 7.693 -3.805
71 HB2 TYR 9 HB2 TYR 9 45.838 7.134 -5.176
72 HB3 TYR 9 HB1 TYR 9 45.128 8.696 -4.701
73 HD1 TYR 9 HD1 TYR 9 45.876 10.768 -5.691
74 HD2 TYR 9 HD2 TYR 9 47.960 7.080 -6.519
75 HE1 TYR 9 HE1 TYR 9 47.155 11.898 -7.507
76 HE2 TYR 9 HE2 TYR 9 49.240 8.210 -8.334
77 HH TYR 9 HH TYR 9 49.684 10.144 -9.339
78 H LEU 10 HN LEU 10 45.651 9.300 -1.720
79 HA LEU 10 HA LEU 10 46.849 11.997 -2.271
80 HB2 LEU 10 HB2 LEU 10 44.320 11.266 -1.559
81 HB3 LEU 10 HB1 LEU 10 44.997 11.501 0.060
82 HG LEU 10 HG LEU 10 43.951 13.568 -0.681
83 HD11 LEU 10 HD11 LEU 10 46.109 13.676 0.607
84 HD12 LEU 10 HD12 LEU 10 45.775 15.119 -0.376
85 HD13 LEU 10 HD13 LEU 10 46.966 13.925 -0.931
86 HD21 LEU 10 HD21 LEU 10 44.461 12.899 -3.243
87 HD22 LEU 10 HD22 LEU 10 45.869 13.955 -2.997
88 HD23 LEU 10 HD23 LEU 10 44.229 14.592 -2.759
89 H LYS 11 HN LYS 11 47.563 9.214 -0.890
90 HA LYS 11 HA LYS 11 49.420 10.370 1.188
91 HB2 LYS 11 HB2 LYS 11 47.843 7.780 1.339
92 HB3 LYS 11 HB1 LYS 11 48.992 8.398 2.550
93 HG2 LYS 11 HG2 LYS 11 47.545 10.323 3.003
94 HG3 LYS 11 HG1 LYS 11 46.438 9.836 1.697
95 HD2 LYS 11 HD2 LYS 11 46.128 7.625 2.961
96 HD3 LYS 11 HD1 LYS 11 46.976 8.392 4.323
97 HE2 LYS 11 HE2 LYS 11 44.394 9.341 3.011
98 HE3 LYS 11 HE1 LYS 11 44.578 8.670 4.649
99 HZ1 LYS 11 HZ1 LYS 11 44.545 10.977 4.929
100 HZ2 LYS 11 HZ2 LYS 11 45.557 11.263 3.594
101 HZ3 LYS 11 HZ3 LYS 11 46.192 10.579 5.014
102 H ASN 12 HN ASN 12 48.993 8.838 -1.719
103 HA ASN 12 HA ASN 12 50.415 7.416 -2.886
104 HB2 ASN 12 HB2 ASN 12 51.859 9.376 -2.580
105 HB3 ASN 12 HB1 ASN 12 52.484 8.652 -1.085
106 HD21 ASN 12 HD21 ASN 12 51.703 6.325 -3.559
107 HD22 ASN 12 HD22 ASN 12 53.355 6.060 -4.123
108 H GLU 13 HN GLU 13 49.405 6.720 0.051
109 HA GLU 13 HA GLU 13 49.406 4.741 1.293
110 HB2 GLU 13 HB2 GLU 13 50.032 3.721 -1.079
111 HB3 GLU 13 HB1 GLU 13 51.651 3.556 -0.366
112 HG2 GLU 13 HG2 GLU 13 50.636 2.316 1.564
113 HG3 GLU 13 HG1 GLU 13 49.059 2.397 0.744
114 H ILE 14 HN ILE 14 51.720 6.906 0.795
115 HA ILE 14 HA ILE 14 53.409 6.248 3.156
116 HB ILE 14 HB ILE 14 55.032 7.544 1.232
117 HG12 ILE 14 HG12 ILE 14 53.647 5.084 0.144
118 HG13 ILE 14 HG11 ILE 14 53.611 6.734 -0.505
119 HG21 ILE 14 HG21 ILE 14 55.257 4.611 1.965
120 HG22 ILE 14 HG22 ILE 14 55.674 5.884 3.128
121 HG23 ILE 14 HG23 ILE 14 56.561 5.763 1.599
122 HD11 ILE 14 HD1 ILE 14 55.221 5.641 -1.854
123 HD12 ILE 14 HD2 ILE 14 55.927 4.790 -0.461
124 HD13 ILE 14 HD3 ILE 14 56.193 6.539 -0.664
125 H LYS 15 HN LYS 15 51.528 8.696 1.494
126 HA LYS 15 HA LYS 15 51.517 10.925 2.132
127 HB2 LYS 15 HB2 LYS 15 52.565 9.856 4.777
128 HB3 LYS 15 HB1 LYS 15 51.989 11.504 4.507
129 HG2 LYS 15 HG2 LYS 15 49.787 10.489 3.760
130 HG3 LYS 15 HG1 LYS 15 50.406 8.927 4.352
131 HD2 LYS 15 HD2 LYS 15 50.723 9.883 6.603
132 HD3 LYS 15 HD1 LYS 15 50.148 11.465 6.026
133 HE2 LYS 15 HE2 LYS 15 47.965 10.428 5.418
134 HE3 LYS 15 HE1 LYS 15 48.539 8.873 6.064
135 HZ1 LYS 15 HZ1 LYS 15 48.797 9.885 8.225
136 HZ2 LYS 15 HZ2 LYS 15 47.209 10.134 7.675
137 HZ3 LYS 15 HZ3 LYS 15 48.338 11.403 7.624
138 H LYS 16 HN LYS 16 53.328 9.334 0.717
139 HA LYS 16 HA LYS 16 55.502 9.340 -0.118
140 HB2 LYS 16 HB2 LYS 16 55.221 12.229 0.788
141 HB3 LYS 16 HB1 LYS 16 56.568 11.594 -0.183
142 HG2 LYS 16 HG2 LYS 16 55.153 12.361 -1.917
143 HG3 LYS 16 HG1 LYS 16 54.592 10.691 -1.775
144 HD2 LYS 16 HD2 LYS 16 52.707 11.380 -0.392
145 HD3 LYS 16 HD1 LYS 16 53.324 13.046 -0.302
146 HE2 LYS 16 HE2 LYS 16 53.007 13.354 -2.693
147 HE3 LYS 16 HE1 LYS 16 52.564 11.642 -2.897
148 HZ1 LYS 16 HZ1 LYS 16 50.545 12.789 -2.791
149 HZ2 LYS 16 HZ2 LYS 16 51.053 13.788 -1.514
150 HZ3 LYS 16 HZ3 LYS 16 50.728 12.144 -1.233
151 H LYS 17 HN LYS 17 54.804 8.530 2.562
152 HA LYS 17 HA LYS 17 55.968 7.789 4.385
153 HB2 LYS 17 HB2 LYS 17 58.070 8.100 2.868
154 HB3 LYS 17 HB1 LYS 17 58.335 9.578 3.798
155 HG2 LYS 17 HG2 LYS 17 58.235 8.215 5.912
156 HG3 LYS 17 HG1 LYS 17 58.107 6.752 4.910
157 HD2 LYS 17 HD2 LYS 17 60.411 8.754 4.823
158 HD3 LYS 17 HD1 LYS 17 60.452 7.175 5.638
159 HE2 LYS 17 HE2 LYS 17 59.740 6.237 3.264
160 HE3 LYS 17 HE1 LYS 17 60.389 7.787 2.673
161 HZ1 LYS 17 HZ1 LYS 17 62.407 6.935 2.859
162 HZ2 LYS 17 HZ2 LYS 17 61.790 5.487 3.500
163 HZ3 LYS 17 HZ3 LYS 17 62.199 6.772 4.535
164 H GLY 18 HN GLY 18 54.133 10.306 4.080
165 HA2 GLY 18 HA1 GLY 18 53.477 11.341 6.338
166 HA3 GLY 18 HA2 GLY 18 55.194 11.707 6.584
167 H ARG 19 HN ARG 19 53.353 12.144 3.572
168 HA ARG 19 HA ARG 19 53.427 14.044 2.239
169 HB2 ARG 19 HB2 ARG 19 52.704 15.005 4.988
170 HB3 ARG 19 HB1 ARG 19 53.461 16.254 3.972
171 HG2 ARG 19 HG2 ARG 19 51.769 15.775 2.188
172 HG3 ARG 19 HG1 ARG 19 50.994 14.588 3.264
173 HD2 ARG 19 HD2 ARG 19 49.868 16.821 3.342
174 HD3 ARG 19 HD1 ARG 19 50.534 16.339 4.921
175 HE ARG 19 HE ARG 19 52.501 17.877 3.519
176 HH11 ARG 19 HH11 ARG 19 49.639 19.178 3.209
177 HH12 ARG 19 HH12 ARG 19 49.742 20.374 4.458
178 HH21 ARG 19 HH21 ARG 19 52.553 18.976 5.930
179 HH22 ARG 19 HH22 ARG 19 51.393 20.260 5.999
180 H LYS 20 HN LYS 20 55.679 12.559 3.747
181 HA LYS 20 HA LYS 20 57.545 14.605 4.502
182 HB2 LYS 20 HB2 LYS 20 58.183 11.896 3.591
183 HB3 LYS 20 HB1 LYS 20 59.362 13.227 3.858
184 HG2 LYS 20 HG2 LYS 20 58.662 13.465 6.200
185 HG3 LYS 20 HG1 LYS 20 57.407 12.235 6.010
186 HD2 LYS 20 HD2 LYS 20 59.078 10.492 5.729
187 HD3 LYS 20 HD1 LYS 20 60.383 11.691 5.633
188 HE2 LYS 20 HE2 LYS 20 60.365 10.721 7.870
189 HE3 LYS 20 HE1 LYS 20 59.801 12.403 7.982
190 HZ1 LYS 20 HZ1 LYS 20 58.483 10.464 9.112
191 HZ2 LYS 20 HZ2 LYS 20 57.818 10.275 7.560
192 HZ3 LYS 20 HZ3 LYS 20 57.663 11.755 8.378
193 H ALA 21 HN ALA 21 56.625 13.106 1.589
194 HA ALA 21 HA ALA 21 58.891 13.927 0.030
195 HB1 ALA 21 HB1 ALA 21 57.262 13.211 -1.451
196 HB2 ALA 21 HB2 ALA 21 56.975 14.946 -1.602
197 HB3 ALA 21 HB3 ALA 21 55.997 13.992 -0.485
198 H VAL 22 HN VAL 22 58.151 15.254 2.277
199 HA VAL 22 HA VAL 22 59.403 17.674 1.972
200 HB VAL 22 HB VAL 22 56.966 18.199 0.727
201 HG11 VAL 22 HG11 VAL 22 55.859 18.052 3.018
202 HG12 VAL 22 HG12 VAL 22 55.581 19.561 2.123
203 HG13 VAL 22 HG13 VAL 22 56.760 19.520 3.456
204 HG21 VAL 22 HG21 VAL 22 58.728 20.205 2.200
205 HG22 VAL 22 HG22 VAL 22 57.578 20.594 0.898
206 HG23 VAL 22 HG23 VAL 22 59.005 19.587 0.554
207 H ILE 23 HN ILE 23 56.870 16.098 4.162
208 HA ILE 23 HA ILE 23 57.872 17.888 6.238
209 HB ILE 23 HB ILE 23 56.752 15.047 6.538
210 HG12 ILE 23 HG12 ILE 23 55.563 17.829 6.981
211 HG13 ILE 23 HG11 ILE 23 55.188 16.757 5.616
212 HG21 ILE 23 HG21 ILE 23 58.011 15.349 8.509
213 HG22 ILE 23 HG22 ILE 23 56.443 16.019 8.986
214 HG23 ILE 23 HG23 ILE 23 57.764 17.110 8.523
215 HD11 ILE 23 HD1 ILE 23 53.421 16.099 6.960
216 HD12 ILE 23 HD2 ILE 23 54.223 16.637 8.451
217 HD13 ILE 23 HD3 ILE 23 54.645 15.066 7.736
218 H ALA 24 HN ALA 24 59.556 15.951 4.072
219 HA ALA 24 HA ALA 24 62.054 16.226 4.981
220 HB1 ALA 24 HB1 ALA 24 60.826 14.193 6.844
221 HB2 ALA 24 HB2 ALA 24 61.950 15.522 7.212
222 HB3 ALA 24 HB3 ALA 24 62.546 14.055 6.418
223 H TRP 25 HN TRP 25 60.827 15.603 2.655
224 HA TRP 25 HA TRP 25 61.101 14.295 0.758
225 HB2 TRP 25 HB2 TRP 25 63.491 13.089 2.192
226 HB3 TRP 25 HB1 TRP 25 63.225 13.225 0.438
227 HD1 TRP 25 HD1 TRP 25 64.442 15.151 3.443
228 HE1 TRP 25 HE1 TRP 25 65.302 17.498 2.728
229 HE3 TRP 25 HE3 TRP 25 62.782 15.178 -1.400
230 HZ2 TRP 25 HZ2 TRP 25 65.258 19.138 0.362
231 HZ3 TRP 25 HZ3 TRP 25 63.202 17.144 -2.867
232 HH2 TRP 25 HH2 TRP 25 64.437 19.122 -1.993
Start of MODEL 3
1 H1 ALA 1 HT1 ALA 1 43.709 3.784 -8.577
2 H2 ALA 1 HT2 ALA 1 42.216 3.939 -9.373
3 H3 ALA 1 HT3 ALA 1 42.351 4.336 -7.726
4 HA ALA 1 HA ALA 1 44.233 5.777 -9.238
5 HB1 ALA 1 HB1 ALA 1 42.455 5.375 -10.998
6 HB2 ALA 1 HB2 ALA 1 42.770 7.084 -10.610
7 HB3 ALA 1 HB3 ALA 1 41.327 6.273 -9.954
8 H GLY 2 HN GLY 2 44.374 7.895 -8.445
9 HA2 GLY 2 HA1 GLY 2 43.183 8.224 -5.767
10 HA3 GLY 2 HA2 GLY 2 44.340 9.318 -6.575
11 H LYS 3 HN LYS 3 41.284 8.014 -7.678
12 HA LYS 3 HA LYS 3 40.231 10.789 -7.718
13 HB2 LYS 3 HB2 LYS 3 39.316 8.251 -9.132
14 HB3 LYS 3 HB1 LYS 3 38.296 9.706 -9.042
15 HG2 LYS 3 HG2 LYS 3 40.012 11.028 -10.189
16 HG3 LYS 3 HG1 LYS 3 41.116 9.631 -10.202
17 HD2 LYS 3 HD2 LYS 3 39.478 8.359 -11.572
18 HD3 LYS 3 HD1 LYS 3 38.401 9.777 -11.584
19 HE2 LYS 3 HE2 LYS 3 40.321 11.101 -12.602
20 HE3 LYS 3 HE1 LYS 3 41.190 9.558 -12.788
21 HZ1 LYS 3 HZ1 LYS 3 39.958 9.039 -14.547
22 HZ2 LYS 3 HZ2 LYS 3 39.364 10.630 -14.536
23 HZ3 LYS 3 HZ3 LYS 3 38.504 9.394 -13.751
24 H GLU 4 HN GLU 4 40.285 7.826 -6.265
25 HA GLU 4 HA GLU 4 37.849 8.251 -4.674
26 HB2 GLU 4 HB2 GLU 4 39.665 6.092 -5.069
27 HB3 GLU 4 HB1 GLU 4 40.089 6.674 -3.438
28 HG2 GLU 4 HG2 GLU 4 37.621 6.546 -2.852
29 HG3 GLU 4 HG1 GLU 4 37.336 5.771 -4.429
30 H THR 5 HN THR 5 40.893 9.611 -5.359
31 HA THR 5 HA THR 5 42.510 10.517 -3.819
32 HB THR 5 HB THR 5 40.229 12.541 -3.512
33 HG1 THR 5 HG1 THR 5 40.868 11.489 -5.738
34 HG21 THR 5 HG21 THR 5 43.251 12.765 -3.800
35 HG22 THR 5 HG22 THR 5 42.271 13.160 -2.369
36 HG23 THR 5 HG23 THR 5 42.141 14.154 -3.839
37 H ILE 6 HN ILE 6 42.254 8.900 -2.575
38 HA ILE 6 HA ILE 6 42.650 9.204 0.078
39 HB ILE 6 HB ILE 6 39.921 9.725 -0.044
40 HG12 ILE 6 HG12 ILE 6 39.851 8.534 2.325
41 HG13 ILE 6 HG11 ILE 6 41.585 8.268 2.033
42 HG21 ILE 6 HG21 ILE 6 38.559 7.809 0.263
43 HG22 ILE 6 HG22 ILE 6 39.962 6.738 0.476
44 HG23 ILE 6 HG23 ILE 6 39.590 7.407 -1.128
45 HD11 ILE 6 HD1 ILE 6 41.241 10.357 3.288
46 HD12 ILE 6 HD2 ILE 6 40.143 10.959 2.027
47 HD13 ILE 6 HD3 ILE 6 41.869 10.730 1.668
48 H ARG 7 HN ARG 7 42.354 7.970 -2.892
49 HA ARG 7 HA ARG 7 42.044 5.091 -2.367
50 HB2 ARG 7 HB2 ARG 7 41.983 6.336 -4.663
51 HB3 ARG 7 HB1 ARG 7 43.750 6.274 -4.596
52 HG2 ARG 7 HG2 ARG 7 42.828 3.603 -3.966
53 HG3 ARG 7 HG1 ARG 7 41.880 4.146 -5.364
54 HD2 ARG 7 HD2 ARG 7 44.107 4.834 -6.436
55 HD3 ARG 7 HD1 ARG 7 44.909 3.959 -5.113
56 HE ARG 7 HE ARG 7 43.503 2.751 -7.378
57 HH11 ARG 7 HH11 ARG 7 45.785 1.301 -6.602
58 HH12 ARG 7 HH12 ARG 7 45.216 0.068 -5.526
59 HH21 ARG 7 HH21 ARG 7 42.188 1.641 -4.903
60 HH22 ARG 7 HH22 ARG 7 43.180 0.261 -4.566
61 H GLN 8 HN GLN 8 43.994 6.845 -0.765
62 HA GLN 8 HA GLN 8 45.920 6.482 0.360
63 HB2 GLN 8 HB2 GLN 8 46.462 3.980 -1.315
64 HB3 GLN 8 HB1 GLN 8 47.201 4.436 0.228
65 HG2 GLN 8 HG2 GLN 8 45.045 4.202 1.380
66 HG3 GLN 8 HG1 GLN 8 44.242 3.806 -0.155
67 HE21 GLN 8 HE21 GLN 8 45.964 2.487 2.543
68 HE22 GLN 8 HE22 GLN 8 46.186 0.863 1.880
69 H TYR 9 HN TYR 9 45.152 7.505 -2.306
70 HA TYR 9 HA TYR 9 47.866 7.894 -3.520
71 HB2 TYR 9 HB2 TYR 9 46.021 7.377 -5.089
72 HB3 TYR 9 HB1 TYR 9 45.077 8.733 -4.426
73 HD1 TYR 9 HD1 TYR 9 45.635 11.045 -4.957
74 HD2 TYR 9 HD2 TYR 9 48.079 7.796 -6.409
75 HE1 TYR 9 HE1 TYR 9 46.789 12.609 -6.517
76 HE2 TYR 9 HE2 TYR 9 49.232 9.360 -7.967
77 HH TYR 9 HH TYR 9 48.343 12.822 -8.106
78 H LEU 10 HN LEU 10 45.363 9.166 -1.489
79 HA LEU 10 HA LEU 10 46.369 11.971 -1.656
80 HB2 LEU 10 HB2 LEU 10 43.939 10.937 -0.925
81 HB3 LEU 10 HB1 LEU 10 44.685 11.048 0.681
82 HG LEU 10 HG LEU 10 44.388 13.331 -1.332
83 HD11 LEU 10 HD11 LEU 10 42.734 14.214 0.179
84 HD12 LEU 10 HD12 LEU 10 43.121 12.999 1.420
85 HD13 LEU 10 HD13 LEU 10 42.312 12.508 -0.084
86 HD21 LEU 10 HD21 LEU 10 45.144 14.703 0.713
87 HD22 LEU 10 HD22 LEU 10 46.403 13.747 -0.098
88 HD23 LEU 10 HD23 LEU 10 45.679 13.161 1.422
89 H LYS 11 HN LYS 11 47.261 9.040 -0.483
90 HA LYS 11 HA LYS 11 49.182 10.211 1.524
91 HB2 LYS 11 HB2 LYS 11 47.626 7.608 1.754
92 HB3 LYS 11 HB1 LYS 11 48.924 8.154 2.845
93 HG2 LYS 11 HG2 LYS 11 47.590 10.093 3.527
94 HG3 LYS 11 HG1 LYS 11 46.326 9.679 2.344
95 HD2 LYS 11 HD2 LYS 11 45.921 7.537 3.517
96 HD3 LYS 11 HD1 LYS 11 47.187 7.944 4.700
97 HE2 LYS 11 HE2 LYS 11 45.030 8.521 5.665
98 HE3 LYS 11 HE1 LYS 11 45.885 10.030 5.272
99 HZ1 LYS 11 HZ1 LYS 11 44.529 9.388 2.984
100 HZ2 LYS 11 HZ2 LYS 11 44.078 10.568 4.120
101 HZ3 LYS 11 HZ3 LYS 11 43.431 8.999 4.217
102 H ASN 12 HN ASN 12 48.635 8.613 -1.377
103 HA ASN 12 HA ASN 12 50.093 7.237 -2.592
104 HB2 ASN 12 HB2 ASN 12 51.964 8.892 -0.933
105 HB3 ASN 12 HB1 ASN 12 52.601 7.664 -2.053
106 HD21 ASN 12 HD21 ASN 12 49.960 10.183 -2.179
107 HD22 ASN 12 HD22 ASN 12 50.468 10.818 -3.748
108 H GLU 13 HN GLU 13 49.246 6.562 0.413
109 HA GLU 13 HA GLU 13 49.394 4.611 1.689
110 HB2 GLU 13 HB2 GLU 13 49.898 3.522 -0.671
111 HB3 GLU 13 HB1 GLU 13 51.579 3.481 -0.096
112 HG2 GLU 13 HG2 GLU 13 50.621 1.371 0.518
113 HG3 GLU 13 HG1 GLU 13 50.709 2.330 2.014
114 H ILE 14 HN ILE 14 51.640 6.830 0.949
115 HA ILE 14 HA ILE 14 53.413 6.353 3.280
116 HB ILE 14 HB ILE 14 55.362 6.945 1.948
117 HG12 ILE 14 HG12 ILE 14 53.703 6.223 -0.476
118 HG13 ILE 14 HG11 ILE 14 53.824 7.896 0.044
119 HG21 ILE 14 HG21 ILE 14 55.651 4.722 0.980
120 HG22 ILE 14 HG22 ILE 14 53.896 4.446 1.058
121 HG23 ILE 14 HG23 ILE 14 54.839 4.616 2.557
122 HD11 ILE 14 HD1 ILE 14 56.400 7.540 -0.023
123 HD12 ILE 14 HD2 ILE 14 55.551 7.616 -1.583
124 HD13 ILE 14 HD3 ILE 14 56.032 6.045 -0.914
125 H LYS 15 HN LYS 15 51.376 8.633 1.678
126 HA LYS 15 HA LYS 15 51.375 10.902 2.168
127 HB2 LYS 15 HB2 LYS 15 52.573 9.897 4.757
128 HB3 LYS 15 HB1 LYS 15 52.136 11.587 4.480
129 HG2 LYS 15 HG2 LYS 15 49.804 10.816 3.932
130 HG3 LYS 15 HG1 LYS 15 50.290 9.187 4.462
131 HD2 LYS 15 HD2 LYS 15 50.833 10.025 6.694
132 HD3 LYS 15 HD1 LYS 15 50.496 11.696 6.183
133 HE2 LYS 15 HE2 LYS 15 48.142 11.104 5.740
134 HE3 LYS 15 HE1 LYS 15 48.466 9.419 6.209
135 HZ1 LYS 15 HZ1 LYS 15 47.500 10.734 8.022
136 HZ2 LYS 15 HZ2 LYS 15 48.832 11.789 7.977
137 HZ3 LYS 15 HZ3 LYS 15 49.047 10.162 8.416
138 H LYS 16 HN LYS 16 53.191 9.402 0.700
139 HA LYS 16 HA LYS 16 55.266 9.587 -0.308
140 HB2 LYS 16 HB2 LYS 16 55.356 12.427 0.733
141 HB3 LYS 16 HB1 LYS 16 55.960 11.748 -0.800
142 HG2 LYS 16 HG2 LYS 16 53.522 11.237 -1.403
143 HG3 LYS 16 HG1 LYS 16 53.070 12.259 -0.022
144 HD2 LYS 16 HD2 LYS 16 54.120 14.198 -1.004
145 HD3 LYS 16 HD1 LYS 16 54.868 13.213 -2.288
146 HE2 LYS 16 HE2 LYS 16 52.878 14.374 -3.156
147 HE3 LYS 16 HE1 LYS 16 52.600 12.616 -3.125
148 HZ1 LYS 16 HZ1 LYS 16 51.437 12.881 -1.021
149 HZ2 LYS 16 HZ2 LYS 16 50.713 13.834 -2.227
150 HZ3 LYS 16 HZ3 LYS 16 51.702 14.556 -1.050
151 H LYS 17 HN LYS 17 54.757 8.544 2.319
152 HA LYS 17 HA LYS 17 56.002 7.769 4.048
153 HB2 LYS 17 HB2 LYS 17 58.022 8.296 2.407
154 HB3 LYS 17 HB1 LYS 17 58.305 9.636 3.518
155 HG2 LYS 17 HG2 LYS 17 59.618 7.957 4.507
156 HG3 LYS 17 HG1 LYS 17 58.093 7.777 5.403
157 HD2 LYS 17 HD2 LYS 17 57.416 5.916 3.951
158 HD3 LYS 17 HD1 LYS 17 58.848 6.157 2.924
159 HE2 LYS 17 HE2 LYS 17 59.311 4.323 4.446
160 HE3 LYS 17 HE1 LYS 17 60.287 5.722 4.952
161 HZ1 LYS 17 HZ1 LYS 17 58.818 4.363 6.649
162 HZ2 LYS 17 HZ2 LYS 17 57.610 5.429 6.109
163 HZ3 LYS 17 HZ3 LYS 17 59.035 6.038 6.805
164 H GLY 18 HN GLY 18 54.174 10.418 3.890
165 HA2 GLY 18 HA1 GLY 18 53.640 11.318 6.270
166 HA3 GLY 18 HA2 GLY 18 55.380 11.642 6.425
167 H ARG 19 HN ARG 19 53.510 12.174 3.520
168 HA ARG 19 HA ARG 19 53.581 14.078 2.195
169 HB2 ARG 19 HB2 ARG 19 53.080 15.170 4.989
170 HB3 ARG 19 HB1 ARG 19 53.528 16.314 3.702
171 HG2 ARG 19 HG2 ARG 19 51.626 15.588 2.338
172 HG3 ARG 19 HG1 ARG 19 51.217 14.321 3.520
173 HD2 ARG 19 HD2 ARG 19 49.786 16.357 3.773
174 HD3 ARG 19 HD1 ARG 19 50.750 16.020 5.230
175 HE ARG 19 HE ARG 19 52.322 17.775 3.734
176 HH11 ARG 19 HH11 ARG 19 50.979 18.357 6.422
177 HH12 ARG 19 HH12 ARG 19 50.074 19.783 6.035
178 HH21 ARG 19 HH21 ARG 19 50.350 19.346 2.607
179 HH22 ARG 19 HH22 ARG 19 49.717 20.342 3.874
180 H LYS 20 HN LYS 20 55.806 12.533 3.622
181 HA LYS 20 HA LYS 20 57.687 14.612 4.431
182 HB2 LYS 20 HB2 LYS 20 58.419 11.892 3.567
183 HB3 LYS 20 HB1 LYS 20 59.543 13.266 3.871
184 HG2 LYS 20 HG2 LYS 20 58.444 13.453 6.215
185 HG3 LYS 20 HG1 LYS 20 57.762 11.855 5.925
186 HD2 LYS 20 HD2 LYS 20 60.731 12.495 5.745
187 HD3 LYS 20 HD1 LYS 20 59.945 11.840 7.197
188 HE2 LYS 20 HE2 LYS 20 59.126 9.924 5.716
189 HE3 LYS 20 HE1 LYS 20 60.245 10.533 4.472
190 HZ1 LYS 20 HZ1 LYS 20 61.275 10.142 7.189
191 HZ2 LYS 20 HZ2 LYS 20 62.054 9.951 5.691
192 HZ3 LYS 20 HZ3 LYS 20 60.983 8.758 6.252
193 H ALA 21 HN ALA 21 56.907 13.001 1.482
194 HA ALA 21 HA ALA 21 59.275 13.823 0.079
195 HB1 ALA 21 HB1 ALA 21 57.679 12.895 -1.339
196 HB2 ALA 21 HB2 ALA 21 57.644 14.603 -1.814
197 HB3 ALA 21 HB3 ALA 21 56.426 13.971 -0.693
198 H VAL 22 HN VAL 22 58.361 15.233 2.202
199 HA VAL 22 HA VAL 22 59.552 17.668 1.873
200 HB VAL 22 HB VAL 22 57.792 18.479 0.325
201 HG11 VAL 22 HG11 VAL 22 55.486 18.780 1.144
202 HG12 VAL 22 HG12 VAL 22 55.938 18.065 2.710
203 HG13 VAL 22 HG13 VAL 22 55.960 17.067 1.235
204 HG21 VAL 22 HG21 VAL 22 58.931 20.037 2.013
205 HG22 VAL 22 HG22 VAL 22 57.456 19.899 2.998
206 HG23 VAL 22 HG23 VAL 22 57.373 20.601 1.365
207 H ILE 23 HN ILE 23 56.985 16.054 3.987
208 HA ILE 23 HA ILE 23 57.781 18.020 6.007
209 HB ILE 23 HB ILE 23 56.813 15.144 6.432
210 HG12 ILE 23 HG12 ILE 23 55.257 16.872 5.228
211 HG13 ILE 23 HG11 ILE 23 54.605 15.977 6.612
212 HG21 ILE 23 HG21 ILE 23 56.171 16.202 8.732
213 HG22 ILE 23 HG22 ILE 23 57.389 17.433 8.324
214 HG23 ILE 23 HG23 ILE 23 57.855 15.723 8.454
215 HD11 ILE 23 HD1 ILE 23 55.884 18.700 7.038
216 HD12 ILE 23 HD2 ILE 23 54.683 17.860 8.036
217 HD13 ILE 23 HD3 ILE 23 54.206 18.567 6.480
218 H ALA 24 HN ALA 24 59.614 16.003 4.027
219 HA ALA 24 HA ALA 24 62.049 16.426 5.062
220 HB1 ALA 24 HB1 ALA 24 62.508 14.315 6.631
221 HB2 ALA 24 HB2 ALA 24 60.773 14.478 6.978
222 HB3 ALA 24 HB3 ALA 24 61.879 15.830 7.310
223 H TRP 25 HN TRP 25 60.972 15.648 2.709
224 HA TRP 25 HA TRP 25 61.420 14.288 0.886
225 HB2 TRP 25 HB2 TRP 25 63.774 14.830 1.616
226 HB3 TRP 25 HB1 TRP 25 63.789 13.294 2.513
227 HD1 TRP 25 HD1 TRP 25 63.934 11.066 1.142
228 HE1 TRP 25 HE1 TRP 25 64.464 10.502 -1.340
229 HE3 TRP 25 HE3 TRP 25 63.467 15.751 -0.866
230 HZ2 TRP 25 HZ2 TRP 25 64.650 11.919 -3.839
231 HZ3 TRP 25 HZ3 TRP 25 63.825 16.123 -3.301
232 HH2 TRP 25 HH2 TRP 25 64.415 14.214 -4.789
Start of MODEL 4
1 H1 ALA 1 HT1 ALA 1 45.837 2.880 -8.295
2 H2 ALA 1 HT2 ALA 1 44.340 2.075 -8.306
3 H3 ALA 1 HT3 ALA 1 44.844 2.925 -6.924
4 HA ALA 1 HA ALA 1 44.737 4.455 -9.359
5 HB1 ALA 1 HB1 ALA 1 42.287 3.257 -8.040
6 HB2 ALA 1 HB2 ALA 1 42.748 3.209 -9.758
7 HB3 ALA 1 HB3 ALA 1 42.219 4.741 -9.019
8 H GLY 2 HN GLY 2 42.975 6.334 -8.549
9 HA2 GLY 2 HA1 GLY 2 43.136 7.107 -5.792
10 HA3 GLY 2 HA2 GLY 2 44.454 7.881 -6.708
11 H LYS 3 HN LYS 3 41.204 6.954 -7.676
12 HA LYS 3 HA LYS 3 40.703 9.822 -8.225
13 HB2 LYS 3 HB2 LYS 3 39.181 7.307 -9.024
14 HB3 LYS 3 HB1 LYS 3 38.523 8.943 -9.266
15 HG2 LYS 3 HG2 LYS 3 40.545 9.523 -10.619
16 HG3 LYS 3 HG1 LYS 3 41.118 7.846 -10.436
17 HD2 LYS 3 HD2 LYS 3 39.083 7.011 -11.551
18 HD3 LYS 3 HD1 LYS 3 38.468 8.674 -11.702
19 HE2 LYS 3 HE2 LYS 3 41.134 7.773 -12.868
20 HE3 LYS 3 HE1 LYS 3 39.609 7.746 -13.787
21 HZ1 LYS 3 HZ1 LYS 3 40.498 9.809 -14.282
22 HZ2 LYS 3 HZ2 LYS 3 41.093 10.066 -12.713
23 HZ3 LYS 3 HZ3 LYS 3 39.426 10.181 -13.022
24 H GLU 4 HN GLU 4 40.243 7.311 -6.133
25 HA GLU 4 HA GLU 4 38.044 8.598 -4.656
26 HB2 GLU 4 HB2 GLU 4 40.158 6.774 -3.407
27 HB3 GLU 4 HB1 GLU 4 38.411 6.898 -3.046
28 HG2 GLU 4 HG2 GLU 4 39.641 5.678 -5.558
29 HG3 GLU 4 HG1 GLU 4 38.858 4.792 -4.227
30 H THR 5 HN THR 5 41.260 9.061 -5.673
31 HA THR 5 HA THR 5 43.123 9.865 -4.378
32 HB THR 5 HB THR 5 42.611 11.691 -5.900
33 HG1 THR 5 HG1 THR 5 43.052 13.520 -4.559
34 HG21 THR 5 HG21 THR 5 40.232 11.858 -5.699
35 HG22 THR 5 HG22 THR 5 40.875 13.439 -5.195
36 HG23 THR 5 HG23 THR 5 40.333 12.267 -3.970
37 H ILE 6 HN ILE 6 42.534 8.654 -2.814
38 HA ILE 6 HA ILE 6 43.125 9.465 -0.275
39 HB ILE 6 HB ILE 6 40.552 10.436 -0.560
40 HG12 ILE 6 HG12 ILE 6 40.281 9.790 1.999
41 HG13 ILE 6 HG11 ILE 6 41.924 9.135 1.817
42 HG21 ILE 6 HG21 ILE 6 39.783 8.043 -1.160
43 HG22 ILE 6 HG22 ILE 6 38.855 8.905 0.088
44 HG23 ILE 6 HG23 ILE 6 40.036 7.660 0.558
45 HD11 ILE 6 HD1 ILE 6 41.908 11.499 2.633
46 HD12 ILE 6 HD2 ILE 6 41.095 11.993 1.130
47 HD13 ILE 6 HD3 ILE 6 42.746 11.334 1.075
48 H ARG 7 HN ARG 7 42.450 7.671 -2.923
49 HA ARG 7 HA ARG 7 41.679 5.080 -1.775
50 HB2 ARG 7 HB2 ARG 7 41.900 5.663 -4.299
51 HB3 ARG 7 HB1 ARG 7 43.643 5.420 -4.093
52 HG2 ARG 7 HG2 ARG 7 43.294 3.123 -3.356
53 HG3 ARG 7 HG1 ARG 7 41.530 3.345 -3.355
54 HD2 ARG 7 HD2 ARG 7 41.688 3.867 -5.833
55 HD3 ARG 7 HD1 ARG 7 43.396 3.371 -5.758
56 HE ARG 7 HE ARG 7 41.510 1.383 -4.685
57 HH11 ARG 7 HH11 ARG 7 44.242 1.518 -6.415
58 HH12 ARG 7 HH12 ARG 7 43.734 0.517 -7.735
59 HH21 ARG 7 HH21 ARG 7 40.389 0.556 -6.822
60 HH22 ARG 7 HH22 ARG 7 41.552 -0.026 -7.966
61 H GLN 8 HN GLN 8 44.249 7.087 -1.505
62 HA GLN 8 HA GLN 8 45.817 6.717 0.344
63 HB2 GLN 8 HB2 GLN 8 47.255 4.779 0.403
64 HB3 GLN 8 HB1 GLN 8 45.601 4.160 0.321
65 HG2 GLN 8 HG2 GLN 8 46.109 4.239 -2.348
66 HG3 GLN 8 HG1 GLN 8 47.785 4.132 -1.779
67 HE21 GLN 8 HE21 GLN 8 45.379 2.192 -2.911
68 HE22 GLN 8 HE22 GLN 8 45.724 0.722 -1.995
69 H TYR 9 HN TYR 9 45.188 7.451 -2.515
70 HA TYR 9 HA TYR 9 47.932 7.790 -3.629
71 HB2 TYR 9 HB2 TYR 9 46.094 7.261 -5.164
72 HB3 TYR 9 HB1 TYR 9 45.192 8.693 -4.609
73 HD1 TYR 9 HD1 TYR 9 45.970 10.972 -5.167
74 HD2 TYR 9 HD2 TYR 9 48.050 7.475 -6.608
75 HE1 TYR 9 HE1 TYR 9 47.195 12.381 -6.816
76 HE2 TYR 9 HE2 TYR 9 49.276 8.885 -8.257
77 HH TYR 9 HH TYR 9 49.148 12.392 -8.076
78 H LEU 10 HN LEU 10 45.544 9.349 -1.639
79 HA LEU 10 HA LEU 10 46.729 12.067 -2.072
80 HB2 LEU 10 HB2 LEU 10 44.238 11.284 -1.253
81 HB3 LEU 10 HB1 LEU 10 44.997 11.492 0.338
82 HG LEU 10 HG LEU 10 44.841 13.586 -1.888
83 HD11 LEU 10 HD11 LEU 10 43.276 14.731 -0.455
84 HD12 LEU 10 HD12 LEU 10 43.583 13.604 0.888
85 HD13 LEU 10 HD13 LEU 10 42.726 13.045 -0.565
86 HD21 LEU 10 HD21 LEU 10 45.719 15.102 -0.009
87 HD22 LEU 10 HD22 LEU 10 46.899 13.969 -0.699
88 HD23 LEU 10 HD23 LEU 10 46.134 13.614 0.872
89 H LYS 11 HN LYS 11 47.470 9.221 -0.691
90 HA LYS 11 HA LYS 11 49.426 10.390 1.287
91 HB2 LYS 11 HB2 LYS 11 47.814 7.831 1.490
92 HB3 LYS 11 HB1 LYS 11 49.061 8.382 2.633
93 HG2 LYS 11 HG2 LYS 11 47.619 10.514 2.924
94 HG3 LYS 11 HG1 LYS 11 46.336 9.624 2.071
95 HD2 LYS 11 HD2 LYS 11 47.739 8.681 4.613
96 HD3 LYS 11 HD1 LYS 11 46.120 9.414 4.545
97 HE2 LYS 11 HE2 LYS 11 45.542 7.524 2.855
98 HE3 LYS 11 HE1 LYS 11 47.030 6.738 3.436
99 HZ1 LYS 11 HZ1 LYS 11 45.323 7.733 5.540
100 HZ2 LYS 11 HZ2 LYS 11 46.082 6.222 5.374
101 HZ3 LYS 11 HZ3 LYS 11 44.601 6.522 4.597
102 H ASN 12 HN ASN 12 48.931 8.842 -1.603
103 HA ASN 12 HA ASN 12 50.335 7.401 -2.781
104 HB2 ASN 12 HB2 ASN 12 52.358 8.729 -0.999
105 HB3 ASN 12 HB1 ASN 12 52.760 7.758 -2.441
106 HD21 ASN 12 HD21 ASN 12 51.631 8.516 -4.551
107 HD22 ASN 12 HD22 ASN 12 51.439 10.261 -4.752
108 H GLU 13 HN GLU 13 49.347 6.726 0.175
109 HA GLU 13 HA GLU 13 49.366 4.747 1.431
110 HB2 GLU 13 HB2 GLU 13 49.965 3.713 -0.947
111 HB3 GLU 13 HB1 GLU 13 51.589 3.548 -0.248
112 HG2 GLU 13 HG2 GLU 13 50.650 2.278 1.660
113 HG3 GLU 13 HG1 GLU 13 49.018 2.442 0.968
114 H ILE 14 HN ILE 14 51.686 6.897 0.857
115 HA ILE 14 HA ILE 14 53.410 6.276 3.206
116 HB ILE 14 HB ILE 14 55.031 7.526 1.278
117 HG12 ILE 14 HG12 ILE 14 53.601 5.117 0.148
118 HG13 ILE 14 HG11 ILE 14 53.516 6.790 -0.446
119 HG21 ILE 14 HG21 ILE 14 56.495 5.672 1.555
120 HG22 ILE 14 HG22 ILE 14 55.152 4.574 1.949
121 HG23 ILE 14 HG23 ILE 14 55.658 5.816 3.112
122 HD11 ILE 14 HD1 ILE 14 55.112 5.798 -1.880
123 HD12 ILE 14 HD2 ILE 14 55.847 4.861 -0.559
124 HD13 ILE 14 HD3 ILE 14 56.116 6.618 -0.662
125 H LYS 15 HN LYS 15 51.554 8.728 1.498
126 HA LYS 15 HA LYS 15 51.588 10.965 2.116
127 HB2 LYS 15 HB2 LYS 15 52.625 9.935 4.776
128 HB3 LYS 15 HB1 LYS 15 51.979 11.551 4.480
129 HG2 LYS 15 HG2 LYS 15 49.835 10.402 3.721
130 HG3 LYS 15 HG1 LYS 15 50.524 8.899 4.366
131 HD2 LYS 15 HD2 LYS 15 50.265 11.429 6.047
132 HD3 LYS 15 HD1 LYS 15 48.977 10.210 5.946
133 HE2 LYS 15 HE2 LYS 15 50.706 8.470 6.654
134 HE3 LYS 15 HE1 LYS 15 51.813 9.821 6.986
135 HZ1 LYS 15 HZ1 LYS 15 50.773 9.455 9.006
136 HZ2 LYS 15 HZ2 LYS 15 49.257 9.148 8.306
137 HZ3 LYS 15 HZ3 LYS 15 49.866 10.733 8.359
138 H LYS 16 HN LYS 16 53.371 9.318 0.719
139 HA LYS 16 HA LYS 16 55.549 9.280 -0.106
140 HB2 LYS 16 HB2 LYS 16 55.163 12.180 0.706
141 HB3 LYS 16 HB1 LYS 16 56.660 11.596 -0.067
142 HG2 LYS 16 HG2 LYS 16 53.951 10.929 -1.304
143 HG3 LYS 16 HG1 LYS 16 54.662 12.517 -1.605
144 HD2 LYS 16 HD2 LYS 16 56.819 11.164 -2.308
145 HD3 LYS 16 HD1 LYS 16 55.711 9.780 -2.404
146 HE2 LYS 16 HE2 LYS 16 55.704 12.338 -4.031
147 HE3 LYS 16 HE1 LYS 16 55.669 10.651 -4.599
148 HZ1 LYS 16 HZ1 LYS 16 53.444 10.853 -3.054
149 HZ2 LYS 16 HZ2 LYS 16 53.481 10.955 -4.750
150 HZ3 LYS 16 HZ3 LYS 16 53.500 12.370 -3.808
151 H LYS 17 HN LYS 17 54.788 8.566 2.604
152 HA LYS 17 HA LYS 17 55.957 7.727 4.399
153 HB2 LYS 17 HB2 LYS 17 58.113 8.127 2.933
154 HB3 LYS 17 HB1 LYS 17 58.320 9.565 3.951
155 HG2 LYS 17 HG2 LYS 17 58.326 8.184 5.979
156 HG3 LYS 17 HG1 LYS 17 57.980 6.725 5.021
157 HD2 LYS 17 HD2 LYS 17 60.116 6.961 3.833
158 HD3 LYS 17 HD1 LYS 17 60.464 8.468 4.714
159 HE2 LYS 17 HE2 LYS 17 60.395 7.210 6.862
160 HE3 LYS 17 HE1 LYS 17 60.104 5.705 5.956
161 HZ1 LYS 17 HZ1 LYS 17 62.552 7.189 6.333
162 HZ2 LYS 17 HZ2 LYS 17 62.270 6.749 4.716
163 HZ3 LYS 17 HZ3 LYS 17 62.321 5.558 5.927
164 H GLY 18 HN GLY 18 54.208 10.360 4.064
165 HA2 GLY 18 HA1 GLY 18 53.541 11.321 6.384
166 HA3 GLY 18 HA2 GLY 18 55.262 11.684 6.608
167 H ARG 19 HN ARG 19 53.454 12.083 3.600
168 HA ARG 19 HA ARG 19 53.474 13.962 2.261
169 HB2 ARG 19 HB2 ARG 19 53.028 15.145 5.032
170 HB3 ARG 19 HB1 ARG 19 53.401 16.234 3.679
171 HG2 ARG 19 HG2 ARG 19 51.481 15.207 2.401
172 HG3 ARG 19 HG1 ARG 19 51.074 14.262 3.853
173 HD2 ARG 19 HD2 ARG 19 51.015 17.279 3.495
174 HD3 ARG 19 HD1 ARG 19 49.678 16.197 3.951
175 HE ARG 19 HE ARG 19 51.571 15.865 5.973
176 HH11 ARG 19 HH11 ARG 19 52.329 18.703 5.459
177 HH12 ARG 19 HH12 ARG 19 51.227 19.571 6.475
178 HH21 ARG 19 HH21 ARG 19 49.074 16.884 6.886
179 HH22 ARG 19 HH22 ARG 19 49.384 18.541 7.283
180 H LYS 20 HN LYS 20 55.768 12.511 3.751
181 HA LYS 20 HA LYS 20 57.672 14.542 4.440
182 HB2 LYS 20 HB2 LYS 20 58.322 11.908 3.295
183 HB3 LYS 20 HB1 LYS 20 59.470 13.255 3.585
184 HG2 LYS 20 HG2 LYS 20 58.731 13.269 6.018
185 HG3 LYS 20 HG1 LYS 20 57.826 11.784 5.704
186 HD2 LYS 20 HD2 LYS 20 60.058 10.797 4.847
187 HD3 LYS 20 HD1 LYS 20 60.827 12.219 5.575
188 HE2 LYS 20 HE2 LYS 20 59.886 11.643 7.774
189 HE3 LYS 20 HE1 LYS 20 59.040 10.246 7.064
190 HZ1 LYS 20 HZ1 LYS 20 61.991 10.647 7.097
191 HZ2 LYS 20 HZ2 LYS 20 61.173 9.306 6.450
192 HZ3 LYS 20 HZ3 LYS 20 61.130 9.606 8.121
193 H ALA 21 HN ALA 21 56.502 13.172 1.576
194 HA ALA 21 HA ALA 21 58.592 14.067 -0.184
195 HB1 ALA 21 HB1 ALA 21 56.773 13.345 -1.434
196 HB2 ALA 21 HB2 ALA 21 56.537 15.088 -1.590
197 HB3 ALA 21 HB3 ALA 21 55.646 14.184 -0.355
198 H VAL 22 HN VAL 22 58.119 15.317 2.173
199 HA VAL 22 HA VAL 22 59.342 17.725 1.931
200 HB VAL 22 HB VAL 22 57.592 18.795 0.590
201 HG11 VAL 22 HG11 VAL 22 55.735 17.323 1.302
202 HG12 VAL 22 HG12 VAL 22 55.293 19.037 1.476
203 HG13 VAL 22 HG13 VAL 22 55.745 18.085 2.910
204 HG21 VAL 22 HG21 VAL 22 57.219 20.783 1.871
205 HG22 VAL 22 HG22 VAL 22 58.758 20.114 2.464
206 HG23 VAL 22 HG23 VAL 22 57.267 19.893 3.411
207 H ILE 23 HN ILE 23 56.873 16.034 4.065
208 HA ILE 23 HA ILE 23 57.772 17.805 6.202
209 HB ILE 23 HB ILE 23 56.902 14.881 6.479
210 HG12 ILE 23 HG12 ILE 23 55.140 16.165 5.363
211 HG13 ILE 23 HG11 ILE 23 54.661 15.852 7.042
212 HG21 ILE 23 HG21 ILE 23 57.517 17.103 8.431
213 HG22 ILE 23 HG22 ILE 23 57.849 15.364 8.544
214 HG23 ILE 23 HG23 ILE 23 56.202 15.970 8.822
215 HD11 ILE 23 HD1 ILE 23 54.120 18.130 6.743
216 HD12 ILE 23 HD2 ILE 23 55.569 18.451 5.765
217 HD13 ILE 23 HD3 ILE 23 55.713 18.218 7.520
218 H ALA 24 HN ALA 24 59.539 15.965 3.999
219 HA ALA 24 HA ALA 24 62.019 16.303 4.908
220 HB1 ALA 24 HB1 ALA 24 61.927 15.619 7.152
221 HB2 ALA 24 HB2 ALA 24 62.595 14.177 6.367
222 HB3 ALA 24 HB3 ALA 24 60.868 14.236 6.791
223 H TRP 25 HN TRP 25 60.743 15.609 2.628
224 HA TRP 25 HA TRP 25 60.765 14.126 0.819
225 HB2 TRP 25 HB2 TRP 25 63.160 13.371 0.279
226 HB3 TRP 25 HB1 TRP 25 62.895 15.119 0.469
227 HD1 TRP 25 HD1 TRP 25 64.689 12.166 2.012
228 HE1 TRP 25 HE1 TRP 25 66.221 12.965 3.956
229 HE3 TRP 25 HE3 TRP 25 63.077 17.013 2.372
230 HZ2 TRP 25 HZ2 TRP 25 66.663 15.391 5.441
231 HZ3 TRP 25 HZ3 TRP 25 64.070 18.552 4.059
232 HH2 TRP 25 HH2 TRP 25 65.860 17.747 5.592
Start of MODEL 5
1 H1 ALA 1 HT1 ALA 1 46.212 2.803 -7.587
2 H2 ALA 1 HT2 ALA 1 44.607 2.568 -7.079
3 H3 ALA 1 HT3 ALA 1 45.646 3.577 -6.189
4 HA ALA 1 HA ALA 1 45.677 4.537 -8.760
5 HB1 ALA 1 HB1 ALA 1 42.917 3.779 -7.759
6 HB2 ALA 1 HB2 ALA 1 43.673 3.360 -9.313
7 HB3 ALA 1 HB3 ALA 1 43.192 5.042 -8.981
8 H GLY 2 HN GLY 2 43.993 6.643 -8.609
9 HA2 GLY 2 HA1 GLY 2 43.905 7.827 -5.947
10 HA3 GLY 2 HA2 GLY 2 45.236 8.473 -6.942
11 H LYS 3 HN LYS 3 42.019 7.311 -7.812
12 HA LYS 3 HA LYS 3 41.454 10.046 -8.814
13 HB2 LYS 3 HB2 LYS 3 40.177 7.344 -9.370
14 HB3 LYS 3 HB1 LYS 3 39.313 8.854 -9.743
15 HG2 LYS 3 HG2 LYS 3 40.507 8.054 -11.737
16 HG3 LYS 3 HG1 LYS 3 41.230 9.577 -11.166
17 HD2 LYS 3 HD2 LYS 3 43.102 8.449 -10.194
18 HD3 LYS 3 HD1 LYS 3 42.312 6.859 -10.321
19 HE2 LYS 3 HE2 LYS 3 44.039 7.166 -12.083
20 HE3 LYS 3 HE1 LYS 3 42.412 6.991 -12.784
21 HZ1 LYS 3 HZ1 LYS 3 42.776 9.694 -12.266
22 HZ2 LYS 3 HZ2 LYS 3 42.730 8.928 -13.782
23 HZ3 LYS 3 HZ3 LYS 3 44.216 9.165 -12.991
24 H GLU 4 HN GLU 4 40.983 7.801 -6.438
25 HA GLU 4 HA GLU 4 38.677 9.170 -5.222
26 HB2 GLU 4 HB2 GLU 4 40.063 6.725 -4.755
27 HB3 GLU 4 HB1 GLU 4 40.603 7.763 -3.404
28 HG2 GLU 4 HG2 GLU 4 38.592 6.546 -2.723
29 HG3 GLU 4 HG1 GLU 4 38.169 8.264 -2.923
30 H THR 5 HN THR 5 41.911 9.653 -6.161
31 HA THR 5 HA THR 5 43.676 10.688 -4.906
32 HB THR 5 HB THR 5 41.807 13.077 -5.365
33 HG1 THR 5 HG1 THR 5 41.718 12.124 -7.278
34 HG21 THR 5 HG21 THR 5 43.858 13.750 -4.333
35 HG22 THR 5 HG22 THR 5 44.024 14.133 -6.064
36 HG23 THR 5 HG23 THR 5 44.821 12.691 -5.391
37 H ILE 6 HN ILE 6 43.354 9.701 -3.154
38 HA ILE 6 HA ILE 6 43.867 10.674 -0.766
39 HB ILE 6 HB ILE 6 40.924 11.213 -1.305
40 HG12 ILE 6 HG12 ILE 6 42.852 12.948 -0.826
41 HG13 ILE 6 HG11 ILE 6 41.275 13.181 -0.048
42 HG21 ILE 6 HG21 ILE 6 40.620 9.435 0.281
43 HG22 ILE 6 HG22 ILE 6 40.394 10.965 1.155
44 HG23 ILE 6 HG23 ILE 6 41.913 10.059 1.333
45 HD11 ILE 6 HD1 ILE 6 43.326 13.468 1.454
46 HD12 ILE 6 HD2 ILE 6 43.584 11.716 1.304
47 HD13 ILE 6 HD3 ILE 6 42.094 12.335 2.053
48 H ARG 7 HN ARG 7 42.954 8.725 -3.170
49 HA ARG 7 HA ARG 7 41.780 6.408 -1.854
50 HB2 ARG 7 HB2 ARG 7 42.399 6.821 -4.422
51 HB3 ARG 7 HB1 ARG 7 43.940 6.070 -3.977
52 HG2 ARG 7 HG2 ARG 7 42.722 4.099 -3.079
53 HG3 ARG 7 HG1 ARG 7 41.176 4.845 -3.552
54 HD2 ARG 7 HD2 ARG 7 41.828 4.810 -5.907
55 HD3 ARG 7 HD1 ARG 7 43.447 4.206 -5.482
56 HE ARG 7 HE ARG 7 42.440 2.083 -5.614
57 HH11 ARG 7 HH11 ARG 7 39.765 3.886 -5.914
58 HH12 ARG 7 HH12 ARG 7 38.741 2.960 -4.868
59 HH21 ARG 7 HH21 ARG 7 41.340 1.092 -3.538
60 HH22 ARG 7 HH22 ARG 7 39.631 1.378 -3.524
61 H GLN 8 HN GLN 8 44.877 7.797 -2.026
62 HA GLN 8 HA GLN 8 46.176 7.341 0.161
63 HB2 GLN 8 HB2 GLN 8 45.954 4.598 -1.128
64 HB3 GLN 8 HB1 GLN 8 47.470 5.024 -0.317
65 HG2 GLN 8 HG2 GLN 8 46.508 5.116 1.807
66 HG3 GLN 8 HG1 GLN 8 44.899 5.548 1.196
67 HE21 GLN 8 HE21 GLN 8 43.710 3.839 2.202
68 HE22 GLN 8 HE22 GLN 8 43.982 2.140 1.800
69 H TYR 9 HN TYR 9 45.846 7.964 -2.842
70 HA TYR 9 HA TYR 9 48.663 7.840 -3.754
71 HB2 TYR 9 HB2 TYR 9 46.720 7.594 -5.338
72 HB3 TYR 9 HB1 TYR 9 46.272 9.280 -4.977
73 HD1 TYR 9 HD1 TYR 9 48.801 7.072 -6.558
74 HD2 TYR 9 HD2 TYR 9 47.636 11.151 -5.760
75 HE1 TYR 9 HE1 TYR 9 50.469 7.875 -8.224
76 HE2 TYR 9 HE2 TYR 9 49.304 11.953 -7.427
77 HH TYR 9 HH TYR 9 51.831 10.387 -8.274
78 H LEU 10 HN LEU 10 46.444 9.837 -1.991
79 HA LEU 10 HA LEU 10 48.110 12.303 -2.370
80 HB2 LEU 10 HB2 LEU 10 45.445 11.973 -1.893
81 HB3 LEU 10 HB1 LEU 10 46.002 12.117 -0.216
82 HG LEU 10 HG LEU 10 45.354 14.312 -1.055
83 HD11 LEU 10 HD11 LEU 10 47.367 14.077 0.449
84 HD12 LEU 10 HD12 LEU 10 47.342 15.563 -0.528
85 HD13 LEU 10 HD13 LEU 10 48.398 14.212 -0.994
86 HD21 LEU 10 HD21 LEU 10 45.960 15.232 -3.104
87 HD22 LEU 10 HD22 LEU 10 46.074 13.519 -3.557
88 HD23 LEU 10 HD23 LEU 10 47.542 14.427 -3.143
89 H LYS 11 HN LYS 11 48.260 9.454 -0.904
90 HA LYS 11 HA LYS 11 50.076 10.380 1.316
91 HB2 LYS 11 HB2 LYS 11 48.096 8.082 1.305
92 HB3 LYS 11 HB1 LYS 11 49.289 8.409 2.581
93 HG2 LYS 11 HG2 LYS 11 48.231 10.629 2.985
94 HG3 LYS 11 HG1 LYS 11 47.027 10.274 1.723
95 HD2 LYS 11 HD2 LYS 11 46.144 8.406 2.985
96 HD3 LYS 11 HD1 LYS 11 47.462 8.521 4.176
97 HE2 LYS 11 HE2 LYS 11 46.669 10.763 4.854
98 HE3 LYS 11 HE1 LYS 11 45.360 10.670 3.651
99 HZ1 LYS 11 HZ1 LYS 11 45.593 9.390 6.240
100 HZ2 LYS 11 HZ2 LYS 11 45.047 8.366 4.999
101 HZ3 LYS 11 HZ3 LYS 11 44.209 9.800 5.349
102 H ASN 12 HN ASN 12 49.727 8.896 -1.617
103 HA ASN 12 HA ASN 12 51.013 7.258 -2.647
104 HB2 ASN 12 HB2 ASN 12 52.677 9.005 -2.305
105 HB3 ASN 12 HB1 ASN 12 53.083 8.298 -0.727
106 HD21 ASN 12 HD21 ASN 12 55.332 8.017 -1.677
107 HD22 ASN 12 HD22 ASN 12 55.627 6.621 -2.717
108 H GLU 13 HN GLU 13 49.664 6.723 0.147
109 HA GLU 13 HA GLU 13 49.309 4.770 1.385
110 HB2 GLU 13 HB2 GLU 13 50.095 3.649 -0.895
111 HB3 GLU 13 HB1 GLU 13 51.592 3.322 0.006
112 HG2 GLU 13 HG2 GLU 13 50.273 2.194 1.785
113 HG3 GLU 13 HG1 GLU 13 48.781 2.499 0.864
114 H ILE 14 HN ILE 14 51.968 6.603 1.088
115 HA ILE 14 HA ILE 14 53.302 5.810 3.637
116 HB ILE 14 HB ILE 14 55.188 6.994 1.900
117 HG12 ILE 14 HG12 ILE 14 53.738 4.646 0.666
118 HG13 ILE 14 HG11 ILE 14 53.884 6.294 0.032
119 HG21 ILE 14 HG21 ILE 14 55.128 4.053 2.630
120 HG22 ILE 14 HG22 ILE 14 55.530 5.297 3.829
121 HG23 ILE 14 HG23 ILE 14 56.543 5.103 2.389
122 HD11 ILE 14 HD1 ILE 14 55.529 5.091 -1.173
123 HD12 ILE 14 HD2 ILE 14 56.038 4.186 0.271
124 HD13 ILE 14 HD3 ILE 14 56.449 5.912 0.111
125 H LYS 15 HN LYS 15 51.930 8.465 1.795
126 HA LYS 15 HA LYS 15 52.055 10.656 2.557
127 HB2 LYS 15 HB2 LYS 15 52.853 9.744 5.308
128 HB3 LYS 15 HB1 LYS 15 51.890 11.146 4.854
129 HG2 LYS 15 HG2 LYS 15 49.995 9.803 4.325
130 HG3 LYS 15 HG1 LYS 15 50.923 8.294 4.477
131 HD2 LYS 15 HD2 LYS 15 51.210 8.621 6.854
132 HD3 LYS 15 HD1 LYS 15 50.547 10.270 6.761
133 HE2 LYS 15 HE2 LYS 15 48.348 9.429 6.180
134 HE3 LYS 15 HE1 LYS 15 48.973 7.771 6.010
135 HZ1 LYS 15 HZ1 LYS 15 49.156 7.514 8.255
136 HZ2 LYS 15 HZ2 LYS 15 47.829 8.574 8.213
137 HZ3 LYS 15 HZ3 LYS 15 49.383 9.166 8.561
138 H LYS 16 HN LYS 16 53.790 8.828 1.221
139 HA LYS 16 HA LYS 16 56.081 8.724 0.628
140 HB2 LYS 16 HB2 LYS 16 55.463 11.186 0.306
141 HB3 LYS 16 HB1 LYS 16 56.186 11.443 1.889
142 HG2 LYS 16 HG2 LYS 16 58.039 11.888 0.495
143 HG3 LYS 16 HG1 LYS 16 58.279 10.158 0.808
144 HD2 LYS 16 HD2 LYS 16 57.115 9.604 -1.307
145 HD3 LYS 16 HD1 LYS 16 56.854 11.337 -1.619
146 HE2 LYS 16 HE2 LYS 16 59.369 11.645 -1.504
147 HE3 LYS 16 HE1 LYS 16 59.519 9.873 -1.444
148 HZ1 LYS 16 HZ1 LYS 16 58.489 9.684 -3.558
149 HZ2 LYS 16 HZ2 LYS 16 59.690 10.877 -3.710
150 HZ3 LYS 16 HZ3 LYS 16 58.054 11.323 -3.588
151 H LYS 17 HN LYS 17 54.868 8.034 3.278
152 HA LYS 17 HA LYS 17 55.748 7.111 5.240
153 HB2 LYS 17 HB2 LYS 17 58.043 7.067 3.933
154 HB3 LYS 17 HB1 LYS 17 58.424 8.491 4.918
155 HG2 LYS 17 HG2 LYS 17 59.252 6.752 6.263
156 HG3 LYS 17 HG1 LYS 17 57.636 7.010 6.951
157 HD2 LYS 17 HD2 LYS 17 56.745 5.076 5.831
158 HD3 LYS 17 HD1 LYS 17 58.182 4.923 4.792
159 HE2 LYS 17 HE2 LYS 17 59.568 4.417 6.772
160 HE3 LYS 17 HE1 LYS 17 58.144 4.597 7.824
161 HZ1 LYS 17 HZ1 LYS 17 58.594 2.555 5.709
162 HZ2 LYS 17 HZ2 LYS 17 57.084 2.816 6.445
163 HZ3 LYS 17 HZ3 LYS 17 58.408 2.299 7.376
164 H GLY 18 HN GLY 18 54.401 9.932 4.803
165 HA2 GLY 18 HA1 GLY 18 54.192 10.809 7.411
166 HA3 GLY 18 HA2 GLY 18 55.839 11.392 7.061
167 H ARG 19 HN ARG 19 53.830 11.308 4.373
168 HA ARG 19 HA ARG 19 52.959 13.051 3.158
169 HB2 ARG 19 HB2 ARG 19 52.149 13.797 5.721
170 HB3 ARG 19 HB1 ARG 19 53.251 15.133 5.318
171 HG2 ARG 19 HG2 ARG 19 51.991 15.596 3.259
172 HG3 ARG 19 HG1 ARG 19 50.932 14.198 3.559
173 HD2 ARG 19 HD2 ARG 19 49.716 16.112 4.333
174 HD3 ARG 19 HD1 ARG 19 50.329 15.307 5.796
175 HE ARG 19 HE ARG 19 51.711 17.190 6.182
176 HH11 ARG 19 HH11 ARG 19 49.587 18.724 4.634
177 HH12 ARG 19 HH12 ARG 19 50.562 19.607 3.508
178 HH21 ARG 19 HH21 ARG 19 53.381 17.648 4.006
179 HH22 ARG 19 HH22 ARG 19 52.710 18.999 3.152
180 H LYS 20 HN LYS 20 55.766 12.197 4.348
181 HA LYS 20 HA LYS 20 57.494 14.406 4.342
182 HB2 LYS 20 HB2 LYS 20 58.080 11.867 2.928
183 HB3 LYS 20 HB1 LYS 20 59.112 13.321 3.063
184 HG2 LYS 20 HG2 LYS 20 58.670 12.952 5.713
185 HG3 LYS 20 HG1 LYS 20 58.353 11.277 5.210
186 HD2 LYS 20 HD2 LYS 20 60.894 12.762 4.409
187 HD3 LYS 20 HD1 LYS 20 60.762 11.836 5.916
188 HE2 LYS 20 HE2 LYS 20 59.947 10.479 3.340
189 HE3 LYS 20 HE1 LYS 20 61.680 10.680 3.692
190 HZ1 LYS 20 HZ1 LYS 20 61.544 9.386 5.566
191 HZ2 LYS 20 HZ2 LYS 20 60.424 8.605 4.553
192 HZ3 LYS 20 HZ3 LYS 20 59.881 9.643 5.784
193 H ALA 21 HN ALA 21 55.654 12.813 1.934
194 HA ALA 21 HA ALA 21 56.962 13.780 -0.404
195 HB1 ALA 21 HB1 ALA 21 54.237 13.211 0.433
196 HB2 ALA 21 HB2 ALA 21 54.978 12.895 -1.154
197 HB3 ALA 21 HB3 ALA 21 54.266 14.480 -0.795
198 H VAL 22 HN VAL 22 57.110 15.073 1.970
199 HA VAL 22 HA VAL 22 57.890 17.584 1.365
200 HB VAL 22 HB VAL 22 54.924 17.710 1.275
201 HG11 VAL 22 HG11 VAL 22 55.113 18.678 3.517
202 HG12 VAL 22 HG12 VAL 22 54.728 19.958 2.342
203 HG13 VAL 22 HG13 VAL 22 56.387 19.790 2.960
204 HG21 VAL 22 HG21 VAL 22 56.875 19.934 0.565
205 HG22 VAL 22 HG22 VAL 22 55.299 19.555 -0.171
206 HG23 VAL 22 HG23 VAL 22 56.699 18.497 -0.464
207 H ILE 23 HN ILE 23 56.330 15.732 4.118
208 HA ILE 23 HA ILE 23 57.463 17.788 5.875
209 HB ILE 23 HB ILE 23 56.791 14.842 6.425
210 HG12 ILE 23 HG12 ILE 23 55.711 17.510 7.457
211 HG13 ILE 23 HG11 ILE 23 54.946 16.521 6.199
212 HG21 ILE 23 HG21 ILE 23 57.291 15.610 8.886
213 HG22 ILE 23 HG22 ILE 23 58.251 16.894 8.134
214 HG23 ILE 23 HG23 ILE 23 58.666 15.187 7.851
215 HD11 ILE 23 HD1 ILE 23 55.258 14.684 8.308
216 HD12 ILE 23 HD2 ILE 23 53.759 15.558 7.925
217 HD13 ILE 23 HD3 ILE 23 54.874 16.196 9.156
218 H ALA 24 HN ALA 24 58.852 16.030 3.377
219 HA ALA 24 HA ALA 24 61.396 16.808 3.611
220 HB1 ALA 24 HB1 ALA 24 62.625 14.807 4.877
221 HB2 ALA 24 HB2 ALA 24 61.078 14.703 5.746
222 HB3 ALA 24 HB3 ALA 24 62.022 16.210 5.782
223 H TRP 25 HN TRP 25 59.660 15.807 1.794
224 HA TRP 25 HA TRP 25 59.400 14.168 0.096
225 HB2 TRP 25 HB2 TRP 25 60.981 15.966 -0.658
226 HB3 TRP 25 HB1 TRP 25 62.334 14.904 -0.202
227 HD1 TRP 25 HD1 TRP 25 59.115 14.640 -2.365
228 HE1 TRP 25 HE1 TRP 25 59.644 13.232 -4.486
229 HE3 TRP 25 HE3 TRP 25 64.008 13.500 -1.378
230 HZ2 TRP 25 HZ2 TRP 25 61.901 11.816 -5.579
231 HZ3 TRP 25 HZ3 TRP 25 65.329 12.119 -2.975
232 HH2 TRP 25 HH2 TRP 25 64.282 11.276 -5.071
Start of MODEL 6
1 H1 ALA 1 HT1 ALA 1 41.068 2.085 -5.953
2 H2 ALA 1 HT2 ALA 1 42.686 2.492 -5.636
3 H3 ALA 1 HT3 ALA 1 42.257 1.797 -7.126
4 HA ALA 1 HA ALA 1 41.785 3.721 -8.008
5 HB1 ALA 1 HB1 ALA 1 40.191 5.273 -6.963
6 HB2 ALA 1 HB2 ALA 1 40.256 4.314 -5.460
7 HB3 ALA 1 HB3 ALA 1 39.588 3.597 -6.945
8 H GLY 2 HN GLY 2 41.604 6.253 -7.079
9 HA2 GLY 2 HA1 GLY 2 43.518 7.121 -5.171
10 HA3 GLY 2 HA2 GLY 2 44.276 6.957 -6.793
11 H LYS 3 HN LYS 3 41.806 7.324 -7.874
12 HA LYS 3 HA LYS 3 41.876 10.273 -7.792
13 HB2 LYS 3 HB2 LYS 3 41.443 9.061 -10.025
14 HB3 LYS 3 HB1 LYS 3 39.882 8.544 -9.342
15 HG2 LYS 3 HG2 LYS 3 39.183 10.872 -9.064
16 HG3 LYS 3 HG1 LYS 3 40.777 11.447 -9.610
17 HD2 LYS 3 HD2 LYS 3 40.418 10.431 -11.821
18 HD3 LYS 3 HD1 LYS 3 38.850 9.779 -11.286
19 HE2 LYS 3 HE2 LYS 3 38.541 11.869 -12.576
20 HE3 LYS 3 HE1 LYS 3 38.028 12.083 -10.886
21 HZ1 LYS 3 HZ1 LYS 3 39.705 13.500 -10.472
22 HZ2 LYS 3 HZ2 LYS 3 39.712 13.723 -12.156
23 HZ3 LYS 3 HZ3 LYS 3 40.823 12.661 -11.433
24 H GLU 4 HN GLU 4 40.724 7.723 -6.244
25 HA GLU 4 HA GLU 4 38.335 8.933 -5.085
26 HB2 GLU 4 HB2 GLU 4 39.243 6.398 -5.072
27 HB3 GLU 4 HB1 GLU 4 40.193 6.979 -3.676
28 HG2 GLU 4 HG2 GLU 4 37.872 7.899 -2.812
29 HG3 GLU 4 HG1 GLU 4 37.158 6.803 -4.016
30 H THR 5 HN THR 5 41.728 9.162 -5.310
31 HA THR 5 HA THR 5 43.291 9.861 -3.699
32 HB THR 5 HB THR 5 41.660 12.429 -4.110
33 HG1 THR 5 HG1 THR 5 43.710 11.322 -5.736
34 HG21 THR 5 HG21 THR 5 44.545 11.841 -3.365
35 HG22 THR 5 HG22 THR 5 43.393 12.965 -2.601
36 HG23 THR 5 HG23 THR 5 44.102 13.358 -4.182
37 H ILE 6 HN ILE 6 42.605 8.616 -2.318
38 HA ILE 6 HA ILE 6 42.747 9.390 0.318
39 HB ILE 6 HB ILE 6 40.305 10.278 -0.098
40 HG12 ILE 6 HG12 ILE 6 40.752 8.102 1.993
41 HG13 ILE 6 HG11 ILE 6 41.274 9.796 2.143
42 HG21 ILE 6 HG21 ILE 6 39.799 8.097 -1.482
43 HG22 ILE 6 HG22 ILE 6 38.539 8.745 -0.407
44 HG23 ILE 6 HG23 ILE 6 39.520 7.352 0.108
45 HD11 ILE 6 HD1 ILE 6 38.427 8.734 1.966
46 HD12 ILE 6 HD2 ILE 6 38.830 10.457 1.770
47 HD13 ILE 6 HD3 ILE 6 39.175 9.630 3.308
48 H ARG 7 HN ARG 7 42.392 7.610 -2.470
49 HA ARG 7 HA ARG 7 42.268 4.971 -0.934
50 HB2 ARG 7 HB2 ARG 7 40.920 4.993 -2.948
51 HB3 ARG 7 HB1 ARG 7 42.286 5.546 -3.934
52 HG2 ARG 7 HG2 ARG 7 41.632 3.030 -4.029
53 HG3 ARG 7 HG1 ARG 7 43.345 3.400 -3.826
54 HD2 ARG 7 HD2 ARG 7 42.440 1.569 -2.315
55 HD3 ARG 7 HD1 ARG 7 43.240 2.898 -1.451
56 HE ARG 7 HE ARG 7 41.154 3.387 -0.460
57 HH11 ARG 7 HH11 ARG 7 40.828 1.240 -3.127
58 HH12 ARG 7 HH12 ARG 7 39.098 1.196 -3.055
59 HH21 ARG 7 HH21 ARG 7 38.880 3.479 -0.456
60 HH22 ARG 7 HH22 ARG 7 37.996 2.463 -1.545
61 H GLN 8 HN GLN 8 44.220 6.471 -0.141
62 HA GLN 8 HA GLN 8 46.449 6.364 0.332
63 HB2 GLN 8 HB2 GLN 8 46.686 4.017 -1.591
64 HB3 GLN 8 HB1 GLN 8 47.790 4.457 -0.276
65 HG2 GLN 8 HG2 GLN 8 46.041 4.026 1.393
66 HG3 GLN 8 HG1 GLN 8 44.874 3.655 0.102
67 HE21 GLN 8 HE21 GLN 8 46.827 2.147 2.336
68 HE22 GLN 8 HE22 GLN 8 47.153 0.649 1.459
69 H TYR 9 HN TYR 9 45.174 7.478 -2.329
70 HA TYR 9 HA TYR 9 47.828 7.994 -3.682
71 HB2 TYR 9 HB2 TYR 9 45.866 7.263 -5.096
72 HB3 TYR 9 HB1 TYR 9 45.060 8.779 -4.649
73 HD1 TYR 9 HD1 TYR 9 45.905 10.953 -5.424
74 HD2 TYR 9 HD2 TYR 9 47.846 7.264 -6.543
75 HE1 TYR 9 HE1 TYR 9 47.178 12.161 -7.192
76 HE2 TYR 9 HE2 TYR 9 49.118 8.472 -8.313
77 HH TYR 9 HH TYR 9 49.619 10.497 -9.179
78 H LEU 10 HN LEU 10 45.720 9.119 -1.342
79 HA LEU 10 HA LEU 10 46.334 12.025 -1.794
80 HB2 LEU 10 HB2 LEU 10 44.097 11.439 -0.947
81 HB3 LEU 10 HB1 LEU 10 44.811 10.542 0.404
82 HG LEU 10 HG LEU 10 45.767 13.382 0.182
83 HD11 LEU 10 HD11 LEU 10 43.624 14.228 1.304
84 HD12 LEU 10 HD12 LEU 10 42.845 12.733 0.732
85 HD13 LEU 10 HD13 LEU 10 43.509 13.895 -0.438
86 HD21 LEU 10 HD21 LEU 10 45.598 13.322 2.578
87 HD22 LEU 10 HD22 LEU 10 46.179 11.710 2.102
88 HD23 LEU 10 HD23 LEU 10 44.474 11.943 2.540
89 H LYS 11 HN LYS 11 47.601 9.235 -0.631
90 HA LYS 11 HA LYS 11 49.509 10.550 1.292
91 HB2 LYS 11 HB2 LYS 11 48.278 7.788 1.186
92 HB3 LYS 11 HB1 LYS 11 49.688 8.183 2.187
93 HG2 LYS 11 HG2 LYS 11 48.354 9.974 3.313
94 HG3 LYS 11 HG1 LYS 11 46.941 9.492 2.345
95 HD2 LYS 11 HD2 LYS 11 47.240 7.137 3.294
96 HD3 LYS 11 HD1 LYS 11 48.417 7.838 4.430
97 HE2 LYS 11 HE2 LYS 11 45.511 8.712 4.121
98 HE3 LYS 11 HE1 LYS 11 46.162 7.722 5.449
99 HZ1 LYS 11 HZ1 LYS 11 45.995 10.100 6.005
100 HZ2 LYS 11 HZ2 LYS 11 47.096 10.465 4.764
101 HZ3 LYS 11 HZ3 LYS 11 47.589 9.526 6.092
102 H ASN 12 HN ASN 12 48.960 7.886 -0.837
103 HA ASN 12 HA ASN 12 50.293 7.292 -2.695
104 HB2 ASN 12 HB2 ASN 12 52.725 8.403 -1.285
105 HB3 ASN 12 HB1 ASN 12 52.645 7.742 -2.924
106 HD21 ASN 12 HD21 ASN 12 49.745 9.400 -2.376
107 HD22 ASN 12 HD22 ASN 12 50.208 10.951 -3.085
108 H GLU 13 HN GLU 13 49.467 6.573 0.081
109 HA GLU 13 HA GLU 13 49.485 4.599 1.336
110 HB2 GLU 13 HB2 GLU 13 50.108 3.584 -1.032
111 HB3 GLU 13 HB1 GLU 13 51.738 3.452 -0.341
112 HG2 GLU 13 HG2 GLU 13 50.695 2.236 1.638
113 HG3 GLU 13 HG1 GLU 13 49.171 2.194 0.718
114 H ILE 14 HN ILE 14 51.556 6.898 0.984
115 HA ILE 14 HA ILE 14 53.251 6.311 3.328
116 HB ILE 14 HB ILE 14 55.050 7.417 1.481
117 HG12 ILE 14 HG12 ILE 14 53.703 4.979 0.293
118 HG13 ILE 14 HG11 ILE 14 53.649 6.631 -0.333
119 HG21 ILE 14 HG21 ILE 14 56.413 5.501 1.926
120 HG22 ILE 14 HG22 ILE 14 54.993 4.498 2.298
121 HG23 ILE 14 HG23 ILE 14 55.489 5.790 3.413
122 HD11 ILE 14 HD1 ILE 14 56.267 6.483 -0.321
123 HD12 ILE 14 HD2 ILE 14 55.367 5.667 -1.619
124 HD13 ILE 14 HD3 ILE 14 55.987 4.726 -0.245
125 H LYS 15 HN LYS 15 51.441 8.649 1.396
126 HA LYS 15 HA LYS 15 51.600 10.950 1.871
127 HB2 LYS 15 HB2 LYS 15 52.401 11.168 4.504
128 HB3 LYS 15 HB1 LYS 15 50.767 11.298 3.940
129 HG2 LYS 15 HG2 LYS 15 50.807 8.646 4.135
130 HG3 LYS 15 HG1 LYS 15 52.169 8.941 5.231
131 HD2 LYS 15 HD2 LYS 15 50.624 10.645 6.409
132 HD3 LYS 15 HD1 LYS 15 49.300 9.890 5.493
133 HE2 LYS 15 HE2 LYS 15 51.116 8.630 7.577
134 HE3 LYS 15 HE1 LYS 15 49.338 8.710 7.558
135 HZ1 LYS 15 HZ1 LYS 15 51.085 6.785 6.363
136 HZ2 LYS 15 HZ2 LYS 15 50.009 7.438 5.223
137 HZ3 LYS 15 HZ3 LYS 15 49.413 6.703 6.634
138 H LYS 16 HN LYS 16 53.387 9.273 0.717
139 HA LYS 16 HA LYS 16 55.614 9.165 0.062
140 HB2 LYS 16 HB2 LYS 16 55.153 12.096 0.679
141 HB3 LYS 16 HB1 LYS 16 56.729 11.501 0.092
142 HG2 LYS 16 HG2 LYS 16 54.140 10.776 -1.362
143 HG3 LYS 16 HG1 LYS 16 54.950 12.309 -1.708
144 HD2 LYS 16 HD2 LYS 16 57.104 10.784 -2.054
145 HD3 LYS 16 HD1 LYS 16 55.916 9.478 -2.229
146 HE2 LYS 16 HE2 LYS 16 54.738 10.984 -3.953
147 HE3 LYS 16 HE1 LYS 16 56.211 11.981 -3.924
148 HZ1 LYS 16 HZ1 LYS 16 56.039 10.089 -5.630
149 HZ2 LYS 16 HZ2 LYS 16 56.366 9.053 -4.322
150 HZ3 LYS 16 HZ3 LYS 16 57.486 10.253 -4.761
151 H LYS 17 HN LYS 17 54.726 8.528 2.689
152 HA LYS 17 HA LYS 17 55.692 7.803 4.616
153 HB2 LYS 17 HB2 LYS 17 58.179 9.422 3.948
154 HB3 LYS 17 HB1 LYS 17 58.012 8.210 5.226
155 HG2 LYS 17 HG2 LYS 17 57.754 6.429 3.653
156 HG3 LYS 17 HG1 LYS 17 57.518 7.556 2.298
157 HD2 LYS 17 HD2 LYS 17 59.829 8.326 2.473
158 HD3 LYS 17 HD1 LYS 17 60.083 7.336 3.930
159 HE2 LYS 17 HE2 LYS 17 59.269 6.169 1.238
160 HE3 LYS 17 HE1 LYS 17 60.960 6.310 1.770
161 HZ1 LYS 17 HZ1 LYS 17 59.373 4.207 2.292
162 HZ2 LYS 17 HZ2 LYS 17 59.164 5.121 3.709
163 HZ3 LYS 17 HZ3 LYS 17 60.721 4.641 3.227
164 H GLY 18 HN GLY 18 53.996 10.455 4.127
165 HA2 GLY 18 HA1 GLY 18 53.433 11.547 6.475
166 HA3 GLY 18 HA2 GLY 18 55.166 11.889 6.603
167 H ARG 19 HN ARG 19 53.408 12.167 3.556
168 HA ARG 19 HA ARG 19 53.448 13.995 2.146
169 HB2 ARG 19 HB2 ARG 19 52.894 15.261 4.851
170 HB3 ARG 19 HB1 ARG 19 53.436 16.333 3.544
171 HG2 ARG 19 HG2 ARG 19 51.161 14.369 3.049
172 HG3 ARG 19 HG1 ARG 19 50.840 15.894 3.903
173 HD2 ARG 19 HD2 ARG 19 51.498 17.215 2.040
174 HD3 ARG 19 HD1 ARG 19 52.326 15.853 1.249
175 HE ARG 19 HE ARG 19 49.603 15.122 1.503
176 HH11 ARG 19 HH11 ARG 19 51.790 17.026 -0.316
177 HH12 ARG 19 HH12 ARG 19 50.630 17.466 -1.523
178 HH21 ARG 19 HH21 ARG 19 47.981 15.899 0.075
179 HH22 ARG 19 HH22 ARG 19 48.472 16.828 -1.302
180 H LYS 20 HN LYS 20 55.650 12.560 3.752
181 HA LYS 20 HA LYS 20 57.544 14.602 4.438
182 HB2 LYS 20 HB2 LYS 20 58.195 11.876 3.567
183 HB3 LYS 20 HB1 LYS 20 59.360 13.211 3.844
184 HG2 LYS 20 HG2 LYS 20 58.544 13.457 6.183
185 HG3 LYS 20 HG1 LYS 20 57.419 12.115 5.951
186 HD2 LYS 20 HD2 LYS 20 59.300 10.565 5.601
187 HD3 LYS 20 HD1 LYS 20 60.450 11.915 5.709
188 HE2 LYS 20 HE2 LYS 20 60.190 10.566 7.846
189 HE3 LYS 20 HE1 LYS 20 59.883 12.309 8.025
190 HZ1 LYS 20 HZ1 LYS 20 57.516 11.878 7.833
191 HZ2 LYS 20 HZ2 LYS 20 58.174 10.972 9.110
192 HZ3 LYS 20 HZ3 LYS 20 57.797 10.218 7.634
193 H ALA 21 HN ALA 21 56.601 13.049 1.578
194 HA ALA 21 HA ALA 21 58.843 13.788 -0.047
195 HB1 ALA 21 HB1 ALA 21 56.923 14.783 -1.669
196 HB2 ALA 21 HB2 ALA 21 55.928 13.959 -0.468
197 HB3 ALA 21 HB3 ALA 21 57.122 13.045 -1.419
198 H VAL 22 HN VAL 22 58.216 15.205 2.177
199 HA VAL 22 HA VAL 22 59.503 17.596 1.822
200 HB VAL 22 HB VAL 22 57.718 18.539 0.378
201 HG11 VAL 22 HG11 VAL 22 55.978 18.042 2.828
202 HG12 VAL 22 HG12 VAL 22 55.819 17.269 1.231
203 HG13 VAL 22 HG13 VAL 22 55.481 19.006 1.417
204 HG21 VAL 22 HG21 VAL 22 57.464 20.653 1.483
205 HG22 VAL 22 HG22 VAL 22 59.017 19.989 2.044
206 HG23 VAL 22 HG23 VAL 22 57.582 19.905 3.094
207 H ILE 23 HN ILE 23 56.873 16.127 3.959
208 HA ILE 23 HA ILE 23 57.830 17.928 6.043
209 HB ILE 23 HB ILE 23 56.800 15.070 6.455
210 HG12 ILE 23 HG12 ILE 23 55.119 16.328 5.212
211 HG13 ILE 23 HG11 ILE 23 54.590 16.191 6.896
212 HG21 ILE 23 HG21 ILE 23 57.717 15.659 8.510
213 HG22 ILE 23 HG22 ILE 23 56.077 16.315 8.700
214 HG23 ILE 23 HG23 ILE 23 57.427 17.396 8.284
215 HD11 ILE 23 HD1 ILE 23 55.742 18.529 7.202
216 HD12 ILE 23 HD2 ILE 23 54.177 18.458 6.369
217 HD13 ILE 23 HD3 ILE 23 55.677 18.615 5.427
218 H ALA 24 HN ALA 24 59.572 15.939 3.979
219 HA ALA 24 HA ALA 24 62.032 16.165 4.976
220 HB1 ALA 24 HB1 ALA 24 61.811 15.519 7.223
221 HB2 ALA 24 HB2 ALA 24 62.438 14.036 6.483
222 HB3 ALA 24 HB3 ALA 24 60.701 14.187 6.833
223 H TRP 25 HN TRP 25 60.824 15.508 2.650
224 HA TRP 25 HA TRP 25 61.061 14.135 0.790
225 HB2 TRP 25 HB2 TRP 25 63.451 14.607 1.191
226 HB3 TRP 25 HB1 TRP 25 63.545 13.207 2.287
227 HD1 TRP 25 HD1 TRP 25 62.179 13.757 -1.314
228 HE1 TRP 25 HE1 TRP 25 62.980 11.796 -2.821
229 HE3 TRP 25 HE3 TRP 25 64.848 11.106 2.160
230 HZ2 TRP 25 HZ2 TRP 25 64.567 9.411 -2.527
231 HZ3 TRP 25 HZ3 TRP 25 65.996 8.990 1.525
232 HH2 TRP 25 HH2 TRP 25 65.858 8.141 -0.814
Start of MODEL 7
1 H1 ALA 1 HT1 ALA 1 41.211 3.720 -7.346
2 H2 ALA 1 HT2 ALA 1 42.631 2.799 -7.487
3 H3 ALA 1 HT3 ALA 1 41.492 2.811 -8.748
4 HA ALA 1 HA ALA 1 43.649 4.239 -8.836
5 HB1 ALA 1 HB1 ALA 1 42.555 5.602 -10.462
6 HB2 ALA 1 HB2 ALA 1 40.973 5.398 -9.671
7 HB3 ALA 1 HB3 ALA 1 41.739 4.021 -10.501
8 H GLY 2 HN GLY 2 44.351 6.388 -8.501
9 HA2 GLY 2 HA1 GLY 2 43.394 7.514 -5.935
10 HA3 GLY 2 HA2 GLY 2 44.807 8.042 -6.886
11 H LYS 3 HN LYS 3 41.472 7.531 -7.835
12 HA LYS 3 HA LYS 3 41.325 10.438 -8.415
13 HB2 LYS 3 HB2 LYS 3 40.597 8.398 -10.099
14 HB3 LYS 3 HB1 LYS 3 39.065 8.619 -9.229
15 HG2 LYS 3 HG2 LYS 3 40.609 10.781 -10.737
16 HG3 LYS 3 HG1 LYS 3 39.105 9.995 -11.272
17 HD2 LYS 3 HD2 LYS 3 38.118 10.842 -8.991
18 HD3 LYS 3 HD1 LYS 3 39.528 11.930 -8.969
19 HE2 LYS 3 HE2 LYS 3 37.338 11.775 -11.078
20 HE3 LYS 3 HE1 LYS 3 37.726 13.144 -10.009
21 HZ1 LYS 3 HZ1 LYS 3 39.730 12.043 -11.891
22 HZ2 LYS 3 HZ2 LYS 3 39.692 13.571 -11.151
23 HZ3 LYS 3 HZ3 LYS 3 38.597 13.199 -12.396
24 H GLU 4 HN GLU 4 40.481 7.947 -6.422
25 HA GLU 4 HA GLU 4 38.320 9.397 -5.060
26 HB2 GLU 4 HB2 GLU 4 40.252 7.395 -3.766
27 HB3 GLU 4 HB1 GLU 4 38.527 7.703 -3.394
28 HG2 GLU 4 HG2 GLU 4 39.606 6.343 -5.901
29 HG3 GLU 4 HG1 GLU 4 38.685 5.577 -4.587
30 H THR 5 HN THR 5 41.644 9.583 -5.851
31 HA THR 5 HA THR 5 43.465 10.297 -4.484
32 HB THR 5 HB THR 5 41.969 12.962 -4.536
33 HG1 THR 5 HG1 THR 5 41.485 11.910 -6.485
34 HG21 THR 5 HG21 THR 5 44.110 13.890 -4.991
35 HG22 THR 5 HG22 THR 5 44.778 12.319 -5.493
36 HG23 THR 5 HG23 THR 5 44.428 12.629 -3.776
37 H ILE 6 HN ILE 6 42.650 9.055 -3.010
38 HA ILE 6 HA ILE 6 43.165 9.822 -0.418
39 HB ILE 6 HB ILE 6 40.701 10.865 -0.777
40 HG12 ILE 6 HG12 ILE 6 40.114 9.975 1.641
41 HG13 ILE 6 HG11 ILE 6 41.702 9.182 1.555
42 HG21 ILE 6 HG21 ILE 6 39.873 8.048 -0.009
43 HG22 ILE 6 HG22 ILE 6 39.950 8.537 -1.714
44 HG23 ILE 6 HG23 ILE 6 38.866 9.392 -0.596
45 HD11 ILE 6 HD1 ILE 6 41.649 11.501 2.646
46 HD12 ILE 6 HD2 ILE 6 41.323 12.164 1.030
47 HD13 ILE 6 HD3 ILE 6 42.842 11.292 1.348
48 H ARG 7 HN ARG 7 42.734 8.062 -3.126
49 HA ARG 7 HA ARG 7 42.030 5.433 -1.874
50 HB2 ARG 7 HB2 ARG 7 41.896 6.073 -4.441
51 HB3 ARG 7 HB1 ARG 7 43.625 5.709 -4.458
52 HG2 ARG 7 HG2 ARG 7 42.563 3.667 -5.062
53 HG3 ARG 7 HG1 ARG 7 43.014 3.462 -3.360
54 HD2 ARG 7 HD2 ARG 7 40.394 4.616 -3.311
55 HD3 ARG 7 HD1 ARG 7 40.350 3.344 -4.552
56 HE ARG 7 HE ARG 7 41.681 2.326 -2.232
57 HH11 ARG 7 HH11 ARG 7 38.622 3.633 -3.107
58 HH12 ARG 7 HH12 ARG 7 37.715 2.492 -2.171
59 HH21 ARG 7 HH21 ARG 7 40.510 0.729 -1.122
60 HH22 ARG 7 HH22 ARG 7 38.784 0.848 -1.047
61 H GLN 8 HN GLN 8 44.064 7.120 -0.666
62 HA GLN 8 HA GLN 8 45.980 6.809 0.464
63 HB2 GLN 8 HB2 GLN 8 46.514 4.180 -0.988
64 HB3 GLN 8 HB1 GLN 8 47.183 4.747 0.552
65 HG2 GLN 8 HG2 GLN 8 44.314 3.866 0.013
66 HG3 GLN 8 HG1 GLN 8 45.506 3.098 1.081
67 HE21 GLN 8 HE21 GLN 8 46.120 4.250 3.096
68 HE22 GLN 8 HE22 GLN 8 45.025 5.465 3.766
69 H TYR 9 HN TYR 9 45.203 7.641 -2.318
70 HA TYR 9 HA TYR 9 47.954 7.752 -3.530
71 HB2 TYR 9 HB2 TYR 9 45.892 7.262 -4.950
72 HB3 TYR 9 HB1 TYR 9 45.351 8.916 -4.592
73 HD1 TYR 9 HD1 TYR 9 47.736 6.845 -6.468
74 HD2 TYR 9 HD2 TYR 9 46.693 10.882 -5.355
75 HE1 TYR 9 HE1 TYR 9 49.218 7.724 -8.269
76 HE2 TYR 9 HE2 TYR 9 48.173 11.762 -7.156
77 HH TYR 9 HH TYR 9 49.962 11.114 -8.579
78 H LEU 10 HN LEU 10 45.614 9.377 -1.585
79 HA LEU 10 HA LEU 10 46.886 12.063 -1.954
80 HB2 LEU 10 HB2 LEU 10 44.387 11.650 -1.368
81 HB3 LEU 10 HB1 LEU 10 44.959 11.226 0.255
82 HG LEU 10 HG LEU 10 46.258 13.565 0.069
83 HD11 LEU 10 HD11 LEU 10 44.934 15.237 -1.210
84 HD12 LEU 10 HD12 LEU 10 43.924 13.926 -1.863
85 HD13 LEU 10 HD13 LEU 10 45.651 14.014 -2.284
86 HD21 LEU 10 HD21 LEU 10 44.347 14.691 1.122
87 HD22 LEU 10 HD22 LEU 10 44.447 13.013 1.706
88 HD23 LEU 10 HD23 LEU 10 43.237 13.459 0.478
89 H LYS 11 HN LYS 11 47.459 9.153 -0.580
90 HA LYS 11 HA LYS 11 49.408 10.252 1.439
91 HB2 LYS 11 HB2 LYS 11 47.773 7.704 1.707
92 HB3 LYS 11 HB1 LYS 11 48.946 8.357 2.871
93 HG2 LYS 11 HG2 LYS 11 47.536 10.304 3.285
94 HG3 LYS 11 HG1 LYS 11 46.411 9.808 1.997
95 HD2 LYS 11 HD2 LYS 11 45.953 7.694 3.267
96 HD3 LYS 11 HD1 LYS 11 46.986 8.299 4.585
97 HE2 LYS 11 HE2 LYS 11 44.569 9.810 3.510
98 HE3 LYS 11 HE1 LYS 11 44.507 8.723 4.918
99 HZ1 LYS 11 HZ1 LYS 11 45.858 10.106 6.148
100 HZ2 LYS 11 HZ2 LYS 11 44.941 11.233 5.268
101 HZ3 LYS 11 HZ3 LYS 11 46.530 10.869 4.792
102 H ASN 12 HN ASN 12 48.788 8.597 -1.415
103 HA ASN 12 HA ASN 12 50.180 7.126 -2.573
104 HB2 ASN 12 HB2 ASN 12 52.251 8.550 -0.924
105 HB3 ASN 12 HB1 ASN 12 52.629 7.475 -2.292
106 HD21 ASN 12 HD21 ASN 12 50.492 10.326 -1.538
107 HD22 ASN 12 HD22 ASN 12 50.730 11.083 -3.116
108 H GLU 13 HN GLU 13 49.267 6.589 0.406
109 HA GLU 13 HA GLU 13 49.249 4.682 1.757
110 HB2 GLU 13 HB2 GLU 13 51.395 3.463 -0.018
111 HB3 GLU 13 HB1 GLU 13 50.354 2.635 1.145
112 HG2 GLU 13 HG2 GLU 13 48.414 2.883 -0.198
113 HG3 GLU 13 HG1 GLU 13 49.154 4.149 -1.202
114 H ILE 14 HN ILE 14 51.672 6.705 1.019
115 HA ILE 14 HA ILE 14 53.389 6.130 3.393
116 HB ILE 14 HB ILE 14 54.958 7.388 1.425
117 HG12 ILE 14 HG12 ILE 14 53.526 4.960 0.344
118 HG13 ILE 14 HG11 ILE 14 53.401 6.630 -0.255
119 HG21 ILE 14 HG21 ILE 14 55.628 5.686 3.255
120 HG22 ILE 14 HG22 ILE 14 56.443 5.553 1.687
121 HG23 ILE 14 HG23 ILE 14 55.118 4.438 2.098
122 HD11 ILE 14 HD1 ILE 14 54.975 5.650 -1.724
123 HD12 ILE 14 HD2 ILE 14 55.760 4.736 -0.417
124 HD13 ILE 14 HD3 ILE 14 55.996 6.498 -0.539
125 H LYS 15 HN LYS 15 51.466 8.518 1.742
126 HA LYS 15 HA LYS 15 51.476 10.769 2.340
127 HB2 LYS 15 HB2 LYS 15 52.628 9.806 4.973
128 HB3 LYS 15 HB1 LYS 15 51.901 11.386 4.678
129 HG2 LYS 15 HG2 LYS 15 49.771 10.217 4.080
130 HG3 LYS 15 HG1 LYS 15 50.533 8.686 4.575
131 HD2 LYS 15 HD2 LYS 15 50.923 9.592 6.838
132 HD3 LYS 15 HD1 LYS 15 50.189 11.139 6.353
133 HE2 LYS 15 HE2 LYS 15 48.562 9.707 7.565
134 HE3 LYS 15 HE1 LYS 15 48.050 9.991 5.885
135 HZ1 LYS 15 HZ1 LYS 15 48.835 7.854 5.256
136 HZ2 LYS 15 HZ2 LYS 15 47.890 7.638 6.651
137 HZ3 LYS 15 HZ3 LYS 15 49.585 7.597 6.755
138 H LYS 16 HN LYS 16 53.212 9.141 0.877
139 HA LYS 16 HA LYS 16 55.362 9.130 -0.020
140 HB2 LYS 16 HB2 LYS 16 54.930 12.029 0.765
141 HB3 LYS 16 HB1 LYS 16 56.431 11.478 -0.030
142 HG2 LYS 16 HG2 LYS 16 53.715 10.738 -1.209
143 HG3 LYS 16 HG1 LYS 16 54.402 12.332 -1.547
144 HD2 LYS 16 HD2 LYS 16 56.557 11.014 -2.277
145 HD3 LYS 16 HD1 LYS 16 55.489 9.596 -2.308
146 HE2 LYS 16 HE2 LYS 16 55.480 10.493 -4.532
147 HE3 LYS 16 HE1 LYS 16 53.925 10.958 -3.802
148 HZ1 LYS 16 HZ1 LYS 16 54.579 13.132 -3.586
149 HZ2 LYS 16 HZ2 LYS 16 55.390 12.715 -5.020
150 HZ3 LYS 16 HZ3 LYS 16 56.235 12.768 -3.548
151 H LYS 17 HN LYS 17 54.735 8.424 2.732
152 HA LYS 17 HA LYS 17 56.030 7.634 4.476
153 HB2 LYS 17 HB2 LYS 17 58.091 8.086 2.923
154 HB3 LYS 17 HB1 LYS 17 58.277 9.563 3.877
155 HG2 LYS 17 HG2 LYS 17 59.591 8.150 5.184
156 HG3 LYS 17 HG1 LYS 17 58.016 7.848 5.946
157 HD2 LYS 17 HD2 LYS 17 58.756 5.654 5.560
158 HD3 LYS 17 HD1 LYS 17 57.803 5.949 4.091
159 HE2 LYS 17 HE2 LYS 17 60.046 6.784 3.049
160 HE3 LYS 17 HE1 LYS 17 60.820 5.971 4.429
161 HZ1 LYS 17 HZ1 LYS 17 58.872 4.636 2.622
162 HZ2 LYS 17 HZ2 LYS 17 59.869 3.911 3.790
163 HZ3 LYS 17 HZ3 LYS 17 60.551 4.580 2.386
164 H GLY 18 HN GLY 18 54.171 10.233 4.204
165 HA2 GLY 18 HA1 GLY 18 53.603 11.147 6.594
166 HA3 GLY 18 HA2 GLY 18 55.317 11.613 6.683
167 H ARG 19 HN ARG 19 53.382 11.901 3.749
168 HA ARG 19 HA ARG 19 53.198 13.805 2.457
169 HB2 ARG 19 HB2 ARG 19 52.208 14.565 5.042
170 HB3 ARG 19 HB1 ARG 19 53.384 15.833 4.615
171 HG2 ARG 19 HG2 ARG 19 52.199 16.045 2.375
172 HG3 ARG 19 HG1 ARG 19 50.948 14.942 2.997
173 HD2 ARG 19 HD2 ARG 19 50.458 16.485 4.843
174 HD3 ARG 19 HD1 ARG 19 51.767 17.569 4.313
175 HE ARG 19 HE ARG 19 50.231 18.455 2.769
176 HH11 ARG 19 HH11 ARG 19 47.826 17.425 4.058
177 HH12 ARG 19 HH12 ARG 19 47.121 16.406 2.849
178 HH21 ARG 19 HH21 ARG 19 50.025 16.171 0.969
179 HH22 ARG 19 HH22 ARG 19 48.364 15.696 1.100
180 H LYS 20 HN LYS 20 55.598 12.423 3.815
181 HA LYS 20 HA LYS 20 57.447 14.515 4.460
182 HB2 LYS 20 HB2 LYS 20 58.100 11.855 3.392
183 HB3 LYS 20 HB1 LYS 20 59.250 13.217 3.569
184 HG2 LYS 20 HG2 LYS 20 58.605 13.355 6.030
185 HG3 LYS 20 HG1 LYS 20 57.690 11.856 5.833
186 HD2 LYS 20 HD2 LYS 20 59.794 10.699 5.130
187 HD3 LYS 20 HD1 LYS 20 60.679 12.215 5.371
188 HE2 LYS 20 HE2 LYS 20 60.245 12.209 7.728
189 HE3 LYS 20 HE1 LYS 20 59.031 10.916 7.573
190 HZ1 LYS 20 HZ1 LYS 20 61.552 10.464 8.257
191 HZ2 LYS 20 HZ2 LYS 20 61.707 10.324 6.572
192 HZ3 LYS 20 HZ3 LYS 20 60.613 9.333 7.412
193 H ALA 21 HN ALA 21 56.297 13.062 1.608
194 HA ALA 21 HA ALA 21 58.335 13.936 -0.170
195 HB1 ALA 21 HB1 ALA 21 56.245 14.935 -1.572
196 HB2 ALA 21 HB2 ALA 21 55.392 14.016 -0.328
197 HB3 ALA 21 HB3 ALA 21 56.530 13.197 -1.423
198 H VAL 22 HN VAL 22 57.861 15.250 2.155
199 HA VAL 22 HA VAL 22 59.081 17.657 1.803
200 HB VAL 22 HB VAL 22 56.904 19.283 2.441
201 HG11 VAL 22 HG11 VAL 22 57.068 19.990 -0.083
202 HG12 VAL 22 HG12 VAL 22 58.380 18.791 -0.160
203 HG13 VAL 22 HG13 VAL 22 58.497 20.161 0.962
204 HG21 VAL 22 HG21 VAL 22 55.571 17.067 1.496
205 HG22 VAL 22 HG22 VAL 22 55.789 17.962 -0.020
206 HG23 VAL 22 HG23 VAL 22 54.953 18.719 1.346
207 H ILE 23 HN ILE 23 56.708 16.011 4.123
208 HA ILE 23 HA ILE 23 57.779 17.852 6.132
209 HB ILE 23 HB ILE 23 56.624 15.030 6.460
210 HG12 ILE 23 HG12 ILE 23 55.629 17.809 7.241
211 HG13 ILE 23 HG11 ILE 23 55.108 16.926 5.793
212 HG21 ILE 23 HG21 ILE 23 57.908 16.931 8.448
213 HG22 ILE 23 HG22 ILE 23 58.090 15.166 8.308
214 HG23 ILE 23 HG23 ILE 23 56.596 15.853 8.968
215 HD11 ILE 23 HD1 ILE 23 53.426 16.076 7.119
216 HD12 ILE 23 HD2 ILE 23 54.239 16.587 8.615
217 HD13 ILE 23 HD3 ILE 23 54.680 15.048 7.850
218 H ALA 24 HN ALA 24 59.365 15.935 3.889
219 HA ALA 24 HA ALA 24 61.899 16.262 4.651
220 HB1 ALA 24 HB1 ALA 24 61.945 15.575 6.888
221 HB2 ALA 24 HB2 ALA 24 62.522 14.111 6.073
222 HB3 ALA 24 HB3 ALA 24 60.827 14.223 6.603
223 H TRP 25 HN TRP 25 60.538 15.593 2.414
224 HA TRP 25 HA TRP 25 60.418 13.162 1.264
225 HB2 TRP 25 HB2 TRP 25 60.264 15.253 -0.020
226 HB3 TRP 25 HB1 TRP 25 62.018 15.487 0.125
227 HD1 TRP 25 HD1 TRP 25 59.931 12.360 -0.900
228 HE1 TRP 25 HE1 TRP 25 60.867 11.433 -3.138
229 HE3 TRP 25 HE3 TRP 25 63.575 15.853 -1.761
230 HZ2 TRP 25 HZ2 TRP 25 62.923 12.134 -5.025
231 HZ3 TRP 25 HZ3 TRP 25 65.013 15.702 -3.787
232 HH2 TRP 25 HH2 TRP 25 64.691 13.847 -5.419
Start of MODEL 8
1 H1 ALA 1 HT1 ALA 1 39.638 2.976 -7.601
2 H2 ALA 1 HT2 ALA 1 39.356 4.572 -7.092
3 H3 ALA 1 HT3 ALA 1 39.721 3.365 -5.953
4 HA ALA 1 HA ALA 1 41.893 3.401 -6.347
5 HB1 ALA 1 HB1 ALA 1 41.365 2.708 -8.768
6 HB2 ALA 1 HB2 ALA 1 42.880 3.601 -8.489
7 HB3 ALA 1 HB3 ALA 1 41.461 4.444 -9.160
8 H GLY 2 HN GLY 2 43.567 5.130 -7.028
9 HA2 GLY 2 HA1 GLY 2 43.553 7.402 -5.540
10 HA3 GLY 2 HA2 GLY 2 44.206 7.332 -7.197
11 H LYS 3 HN LYS 3 41.683 7.071 -8.194
12 HA LYS 3 HA LYS 3 41.284 9.953 -8.250
13 HB2 LYS 3 HB2 LYS 3 39.801 7.662 -9.568
14 HB3 LYS 3 HB1 LYS 3 39.124 9.305 -9.630
15 HG2 LYS 3 HG2 LYS 3 40.485 8.812 -11.651
16 HG3 LYS 3 HG1 LYS 3 41.194 10.135 -10.696
17 HD2 LYS 3 HD2 LYS 3 42.886 8.705 -9.781
18 HD3 LYS 3 HD1 LYS 3 42.061 7.236 -10.356
19 HE2 LYS 3 HE2 LYS 3 43.189 9.400 -12.185
20 HE3 LYS 3 HE1 LYS 3 44.040 7.893 -11.770
21 HZ1 LYS 3 HZ1 LYS 3 41.494 7.147 -12.543
22 HZ2 LYS 3 HZ2 LYS 3 42.934 6.942 -13.423
23 HZ3 LYS 3 HZ3 LYS 3 41.970 8.321 -13.672
24 H GLU 4 HN GLU 4 40.659 7.750 -6.185
25 HA GLU 4 HA GLU 4 38.215 8.962 -5.039
26 HB2 GLU 4 HB2 GLU 4 39.154 6.415 -4.786
27 HB3 GLU 4 HB1 GLU 4 40.127 7.156 -3.483
28 HG2 GLU 4 HG2 GLU 4 38.121 6.429 -2.406
29 HG3 GLU 4 HG1 GLU 4 37.852 8.167 -2.671
30 H THR 5 HN THR 5 41.565 9.262 -5.624
31 HA THR 5 HA THR 5 43.245 10.123 -4.176
32 HB THR 5 HB THR 5 43.359 12.507 -4.415
33 HG1 THR 5 HG1 THR 5 41.782 13.652 -3.691
34 HG21 THR 5 HG21 THR 5 41.382 11.426 -6.450
35 HG22 THR 5 HG22 THR 5 43.136 11.675 -6.642
36 HG23 THR 5 HG23 THR 5 42.042 13.071 -6.539
37 H ILE 6 HN ILE 6 42.627 8.870 -2.678
38 HA ILE 6 HA ILE 6 43.034 9.663 -0.103
39 HB ILE 6 HB ILE 6 40.581 10.649 -0.312
40 HG12 ILE 6 HG12 ILE 6 41.257 8.592 1.835
41 HG13 ILE 6 HG11 ILE 6 41.762 10.298 1.829
42 HG21 ILE 6 HG21 ILE 6 39.708 7.789 0.194
43 HG22 ILE 6 HG22 ILE 6 39.866 8.373 -1.474
44 HG23 ILE 6 HG23 ILE 6 38.745 9.184 -0.356
45 HD11 ILE 6 HD1 ILE 6 39.285 10.910 1.710
46 HD12 ILE 6 HD2 ILE 6 39.814 10.164 3.238
47 HD13 ILE 6 HD3 ILE 6 38.932 9.196 2.033
48 H ARG 7 HN ARG 7 42.553 7.891 -2.788
49 HA ARG 7 HA ARG 7 42.062 5.244 -1.425
50 HB2 ARG 7 HB2 ARG 7 42.067 6.251 -4.183
51 HB3 ARG 7 HB1 ARG 7 43.062 4.803 -4.095
52 HG2 ARG 7 HG2 ARG 7 40.276 4.858 -2.858
53 HG3 ARG 7 HG1 ARG 7 40.515 4.513 -4.581
54 HD2 ARG 7 HD2 ARG 7 40.442 2.395 -3.410
55 HD3 ARG 7 HD1 ARG 7 42.119 2.668 -3.932
56 HE ARG 7 HE ARG 7 42.739 2.815 -1.650
57 HH11 ARG 7 HH11 ARG 7 39.331 3.082 -2.093
58 HH12 ARG 7 HH12 ARG 7 38.973 3.040 -0.398
59 HH21 ARG 7 HH21 ARG 7 42.293 2.774 0.565
60 HH22 ARG 7 HH22 ARG 7 40.651 2.865 1.106
61 H GLN 8 HN GLN 8 44.177 6.883 -0.485
62 HA GLN 8 HA GLN 8 46.246 6.541 0.355
63 HB2 GLN 8 HB2 GLN 8 46.629 4.060 -1.376
64 HB3 GLN 8 HB1 GLN 8 47.506 4.522 0.090
65 HG2 GLN 8 HG2 GLN 8 44.606 3.601 -0.099
66 HG3 GLN 8 HG1 GLN 8 45.955 2.793 0.724
67 HE21 GLN 8 HE21 GLN 8 47.099 4.346 2.453
68 HE22 GLN 8 HE22 GLN 8 45.971 5.239 3.479
69 H TYR 9 HN TYR 9 45.178 7.543 -2.344
70 HA TYR 9 HA TYR 9 47.868 7.849 -3.681
71 HB2 TYR 9 HB2 TYR 9 45.823 7.234 -5.062
72 HB3 TYR 9 HB1 TYR 9 45.162 8.836 -4.655
73 HD1 TYR 9 HD1 TYR 9 46.312 10.910 -5.416
74 HD2 TYR 9 HD2 TYR 9 47.669 6.994 -6.620
75 HE1 TYR 9 HE1 TYR 9 47.676 11.940 -7.229
76 HE2 TYR 9 HE2 TYR 9 49.032 8.023 -8.434
77 HH TYR 9 HH TYR 9 48.894 10.188 -9.804
78 H LEU 10 HN LEU 10 45.686 9.227 -1.488
79 HA LEU 10 HA LEU 10 46.726 12.020 -1.935
80 HB2 LEU 10 HB2 LEU 10 44.239 11.414 -1.349
81 HB3 LEU 10 HB1 LEU 10 44.850 11.121 0.288
82 HG LEU 10 HG LEU 10 45.961 13.522 0.009
83 HD11 LEU 10 HD11 LEU 10 43.709 13.582 -2.056
84 HD12 LEU 10 HD12 LEU 10 45.434 13.907 -2.345
85 HD13 LEU 10 HD13 LEU 10 44.470 15.031 -1.363
86 HD21 LEU 10 HD21 LEU 10 44.205 12.996 1.653
87 HD22 LEU 10 HD22 LEU 10 42.958 13.126 0.389
88 HD23 LEU 10 HD23 LEU 10 43.873 14.569 0.889
89 H LYS 11 HN LYS 11 47.519 9.168 -0.673
90 HA LYS 11 HA LYS 11 49.401 10.312 1.369
91 HB2 LYS 11 HB2 LYS 11 47.786 7.750 1.675
92 HB3 LYS 11 HB1 LYS 11 48.984 8.397 2.816
93 HG2 LYS 11 HG2 LYS 11 47.595 10.335 3.281
94 HG3 LYS 11 HG1 LYS 11 46.448 9.875 2.001
95 HD2 LYS 11 HD2 LYS 11 46.012 7.726 3.250
96 HD3 LYS 11 HD1 LYS 11 47.018 8.354 4.578
97 HE2 LYS 11 HE2 LYS 11 44.416 9.515 3.507
98 HE3 LYS 11 HE1 LYS 11 44.734 8.879 5.138
99 HZ1 LYS 11 HZ1 LYS 11 45.434 11.453 3.972
100 HZ2 LYS 11 HZ2 LYS 11 46.632 10.739 4.944
101 HZ3 LYS 11 HZ3 LYS 11 45.087 11.045 5.582
102 H ASN 12 HN ASN 12 48.759 8.640 -1.467
103 HA ASN 12 HA ASN 12 50.166 7.218 -2.662
104 HB2 ASN 12 HB2 ASN 12 52.247 8.636 -1.023
105 HB3 ASN 12 HB1 ASN 12 52.604 7.595 -2.424
106 HD21 ASN 12 HD21 ASN 12 53.224 9.059 -4.036
107 HD22 ASN 12 HD22 ASN 12 52.231 10.433 -4.536
108 H GLU 13 HN GLU 13 49.305 6.655 0.345
109 HA GLU 13 HA GLU 13 49.347 4.727 1.662
110 HB2 GLU 13 HB2 GLU 13 49.796 3.600 -0.696
111 HB3 GLU 13 HB1 GLU 13 51.458 3.434 -0.091
112 HG2 GLU 13 HG2 GLU 13 50.629 2.237 1.907
113 HG3 GLU 13 HG1 GLU 13 48.955 2.411 1.326
114 H ILE 14 HN ILE 14 51.652 6.827 0.953
115 HA ILE 14 HA ILE 14 53.508 6.198 3.198
116 HB ILE 14 HB ILE 14 54.954 7.538 1.167
117 HG12 ILE 14 HG12 ILE 14 53.557 5.050 0.175
118 HG13 ILE 14 HG11 ILE 14 53.379 6.706 -0.437
119 HG21 ILE 14 HG21 ILE 14 56.532 5.775 1.385
120 HG22 ILE 14 HG22 ILE 14 55.278 4.595 1.836
121 HG23 ILE 14 HG23 ILE 14 55.768 5.855 2.982
122 HD11 ILE 14 HD1 ILE 14 54.910 5.730 -1.955
123 HD12 ILE 14 HD2 ILE 14 55.773 4.870 -0.660
124 HD13 ILE 14 HD3 ILE 14 55.952 6.634 -0.831
125 H LYS 15 HN LYS 15 51.489 8.613 1.669
126 HA LYS 15 HA LYS 15 51.464 10.835 2.328
127 HB2 LYS 15 HB2 LYS 15 52.695 9.764 4.889
128 HB3 LYS 15 HB1 LYS 15 52.079 11.406 4.675
129 HG2 LYS 15 HG2 LYS 15 49.849 10.391 4.080
130 HG3 LYS 15 HG1 LYS 15 50.520 8.811 4.556
131 HD2 LYS 15 HD2 LYS 15 51.093 9.814 6.805
132 HD3 LYS 15 HD1 LYS 15 50.204 11.277 6.318
133 HE2 LYS 15 HE2 LYS 15 48.162 9.911 5.961
134 HE3 LYS 15 HE1 LYS 15 49.052 8.457 6.475
135 HZ1 LYS 15 HZ1 LYS 15 48.458 8.982 8.535
136 HZ2 LYS 15 HZ2 LYS 15 47.850 10.498 8.063
137 HZ3 LYS 15 HZ3 LYS 15 49.495 10.322 8.449
138 H LYS 16 HN LYS 16 53.180 9.292 0.768
139 HA LYS 16 HA LYS 16 55.282 9.351 -0.224
140 HB2 LYS 16 HB2 LYS 16 55.045 12.215 0.765
141 HB3 LYS 16 HB1 LYS 16 56.286 11.623 -0.366
142 HG2 LYS 16 HG2 LYS 16 54.589 12.502 -1.821
143 HG3 LYS 16 HG1 LYS 16 54.298 10.758 -1.826
144 HD2 LYS 16 HD2 LYS 16 52.367 10.936 -0.478
145 HD3 LYS 16 HD1 LYS 16 52.851 12.505 0.200
146 HE2 LYS 16 HE2 LYS 16 50.948 12.496 -1.558
147 HE3 LYS 16 HE1 LYS 16 52.262 13.675 -1.780
148 HZ1 LYS 16 HZ1 LYS 16 51.439 11.616 -3.513
149 HZ2 LYS 16 HZ2 LYS 16 53.031 11.291 -3.018
150 HZ3 LYS 16 HZ3 LYS 16 52.652 12.776 -3.750
151 H LYS 17 HN LYS 17 54.784 8.528 2.525
152 HA LYS 17 HA LYS 17 56.114 7.746 4.221
153 HB2 LYS 17 HB2 LYS 17 58.113 8.161 2.587
154 HB3 LYS 17 HB1 LYS 17 58.379 9.632 3.532
155 HG2 LYS 17 HG2 LYS 17 58.589 8.309 5.599
156 HG3 LYS 17 HG1 LYS 17 58.228 6.818 4.696
157 HD2 LYS 17 HD2 LYS 17 60.252 7.085 3.354
158 HD3 LYS 17 HD1 LYS 17 60.589 8.658 4.117
159 HE2 LYS 17 HE2 LYS 17 60.712 7.485 6.343
160 HE3 LYS 17 HE1 LYS 17 60.544 5.934 5.486
161 HZ1 LYS 17 HZ1 LYS 17 62.644 7.894 4.756
162 HZ2 LYS 17 HZ2 LYS 17 62.576 6.232 4.410
163 HZ3 LYS 17 HZ3 LYS 17 62.886 6.761 5.994
164 H GLY 18 HN GLY 18 54.221 10.256 4.085
165 HA2 GLY 18 HA1 GLY 18 53.682 11.216 6.406
166 HA3 GLY 18 HA2 GLY 18 55.409 11.583 6.570
167 H ARG 19 HN ARG 19 53.407 12.052 3.686
168 HA ARG 19 HA ARG 19 53.366 13.961 2.375
169 HB2 ARG 19 HB2 ARG 19 53.063 15.053 5.199
170 HB3 ARG 19 HB1 ARG 19 53.387 16.194 3.872
171 HG2 ARG 19 HG2 ARG 19 51.400 15.371 2.659
172 HG3 ARG 19 HG1 ARG 19 51.093 14.174 3.942
173 HD2 ARG 19 HD2 ARG 19 50.863 16.041 5.587
174 HD3 ARG 19 HD1 ARG 19 51.077 17.208 4.261
175 HE ARG 19 HE ARG 19 48.802 16.865 3.781
176 HH11 ARG 19 HH11 ARG 19 48.529 14.416 2.551
177 HH12 ARG 19 HH12 ARG 19 47.786 13.353 3.700
178 HH21 ARG 19 HH21 ARG 19 48.553 15.341 6.434
179 HH22 ARG 19 HH22 ARG 19 47.801 13.876 5.898
180 H LYS 20 HN LYS 20 55.734 12.470 3.685
181 HA LYS 20 HA LYS 20 57.655 14.497 4.356
182 HB2 LYS 20 HB2 LYS 20 58.360 11.954 3.045
183 HB3 LYS 20 HB1 LYS 20 59.448 13.287 3.585
184 HG2 LYS 20 HG2 LYS 20 57.524 12.202 5.663
185 HG3 LYS 20 HG1 LYS 20 58.834 11.101 5.195
186 HD2 LYS 20 HD2 LYS 20 60.485 12.911 5.660
187 HD3 LYS 20 HD1 LYS 20 59.145 13.915 6.251
188 HE2 LYS 20 HE2 LYS 20 58.586 12.150 7.924
189 HE3 LYS 20 HE1 LYS 20 59.996 11.217 7.368
190 HZ1 LYS 20 HZ1 LYS 20 61.454 12.907 8.088
191 HZ2 LYS 20 HZ2 LYS 20 60.359 12.675 9.367
192 HZ3 LYS 20 HZ3 LYS 20 60.197 14.017 8.338
193 H ALA 21 HN ALA 21 56.389 13.174 1.504
194 HA ALA 21 HA ALA 21 58.470 14.055 -0.279
195 HB1 ALA 21 HB1 ALA 21 56.339 15.128 -1.602
196 HB2 ALA 21 HB2 ALA 21 55.539 14.093 -0.425
197 HB3 ALA 21 HB3 ALA 21 56.692 13.396 -1.589
198 H VAL 22 HN VAL 22 58.013 15.283 2.095
199 HA VAL 22 HA VAL 22 59.252 17.694 1.833
200 HB VAL 22 HB VAL 22 57.491 18.754 0.487
201 HG11 VAL 22 HG11 VAL 22 55.225 19.103 1.484
202 HG12 VAL 22 HG12 VAL 22 55.702 18.077 2.858
203 HG13 VAL 22 HG13 VAL 22 55.600 17.384 1.222
204 HG21 VAL 22 HG21 VAL 22 57.255 19.935 3.280
205 HG22 VAL 22 HG22 VAL 22 57.206 20.780 1.715
206 HG23 VAL 22 HG23 VAL 22 58.735 20.086 2.303
207 H ILE 23 HN ILE 23 56.868 15.999 4.045
208 HA ILE 23 HA ILE 23 57.672 17.878 6.116
209 HB ILE 23 HB ILE 23 57.028 14.901 6.448
210 HG12 ILE 23 HG12 ILE 23 55.149 16.114 5.450
211 HG13 ILE 23 HG11 ILE 23 54.779 15.715 7.138
212 HG21 ILE 23 HG21 ILE 23 57.653 17.130 8.383
213 HG22 ILE 23 HG22 ILE 23 58.061 15.404 8.465
214 HG23 ILE 23 HG23 ILE 23 56.409 15.941 8.841
215 HD11 ILE 23 HD1 ILE 23 55.407 18.410 5.897
216 HD12 ILE 23 HD2 ILE 23 55.724 18.144 7.625
217 HD13 ILE 23 HD3 ILE 23 54.080 17.957 6.986
218 H ALA 24 HN ALA 24 59.499 16.005 3.952
219 HA ALA 24 HA ALA 24 61.980 16.601 4.573
220 HB1 ALA 24 HB1 ALA 24 62.078 16.332 6.911
221 HB2 ALA 24 HB2 ALA 24 62.904 14.889 6.295
222 HB3 ALA 24 HB3 ALA 24 61.230 14.773 6.871
223 H TRP 25 HN TRP 25 60.721 15.468 2.491
224 HA TRP 25 HA TRP 25 60.759 13.682 0.972
225 HB2 TRP 25 HB2 TRP 25 63.664 13.854 1.852
226 HB3 TRP 25 HB1 TRP 25 63.090 13.056 0.369
227 HD1 TRP 25 HD1 TRP 25 63.990 16.397 1.781
228 HE1 TRP 25 HE1 TRP 25 63.584 18.281 0.034
229 HE3 TRP 25 HE3 TRP 25 61.348 13.720 -1.692
230 HZ2 TRP 25 HZ2 TRP 25 62.280 18.554 -2.519
231 HZ3 TRP 25 HZ3 TRP 25 60.532 14.812 -3.776
232 HH2 TRP 25 HH2 TRP 25 60.996 17.224 -4.192
Start of MODEL 9
1 H1 ALA 1 HT1 ALA 1 42.068 4.171 -9.668
2 H2 ALA 1 HT2 ALA 1 41.300 5.165 -8.524
3 H3 ALA 1 HT3 ALA 1 42.647 4.232 -8.077
4 HA ALA 1 HA ALA 1 44.106 5.501 -9.348
5 HB1 ALA 1 HB1 ALA 1 43.416 7.157 -10.907
6 HB2 ALA 1 HB2 ALA 1 41.735 7.122 -10.319
7 HB3 ALA 1 HB3 ALA 1 42.393 5.738 -11.228
8 H GLY 2 HN GLY 2 45.001 7.489 -8.653
9 HA2 GLY 2 HA1 GLY 2 43.916 8.385 -6.060
10 HA3 GLY 2 HA2 GLY 2 45.418 8.925 -6.852
11 H LYS 3 HN LYS 3 42.140 8.790 -8.060
12 HA LYS 3 HA LYS 3 42.243 11.741 -8.310
13 HB2 LYS 3 HB2 LYS 3 40.284 9.707 -9.467
14 HB3 LYS 3 HB1 LYS 3 40.090 11.469 -9.632
15 HG2 LYS 3 HG2 LYS 3 42.461 11.471 -10.662
16 HG3 LYS 3 HG1 LYS 3 42.289 9.703 -10.775
17 HD2 LYS 3 HD2 LYS 3 40.361 11.737 -11.984
18 HD3 LYS 3 HD1 LYS 3 41.609 10.846 -12.886
19 HE2 LYS 3 HE2 LYS 3 40.487 8.697 -11.962
20 HE3 LYS 3 HE1 LYS 3 39.122 9.753 -11.523
21 HZ1 LYS 3 HZ1 LYS 3 39.835 10.410 -14.122
22 HZ2 LYS 3 HZ2 LYS 3 38.440 9.586 -13.609
23 HZ3 LYS 3 HZ3 LYS 3 39.827 8.715 -14.062
24 H GLU 4 HN GLU 4 41.181 9.170 -6.534
25 HA GLU 4 HA GLU 4 39.107 10.672 -5.087
26 HB2 GLU 4 HB2 GLU 4 40.844 8.447 -3.886
27 HB3 GLU 4 HB1 GLU 4 39.124 8.838 -3.575
28 HG2 GLU 4 HG2 GLU 4 40.195 7.653 -6.168
29 HG3 GLU 4 HG1 GLU 4 39.324 6.760 -4.902
30 H THR 5 HN THR 5 42.451 10.653 -5.824
31 HA THR 5 HA THR 5 44.307 11.087 -4.364
32 HB THR 5 HB THR 5 44.118 13.098 -5.744
33 HG1 THR 5 HG1 THR 5 44.241 13.984 -3.048
34 HG21 THR 5 HG21 THR 5 41.802 13.648 -5.584
35 HG22 THR 5 HG22 THR 5 42.660 15.032 -4.870
36 HG23 THR 5 HG23 THR 5 41.882 13.827 -3.817
37 H ILE 6 HN ILE 6 43.323 9.820 -3.029
38 HA ILE 6 HA ILE 6 43.789 10.330 -0.365
39 HB ILE 6 HB ILE 6 41.445 11.642 -0.749
40 HG12 ILE 6 HG12 ILE 6 41.909 9.692 1.553
41 HG13 ILE 6 HG11 ILE 6 42.594 11.329 1.427
42 HG21 ILE 6 HG21 ILE 6 40.362 8.882 -0.087
43 HG22 ILE 6 HG22 ILE 6 40.483 9.433 -1.768
44 HG23 ILE 6 HG23 ILE 6 39.480 10.335 -0.614
45 HD11 ILE 6 HD1 ILE 6 39.675 10.536 1.737
46 HD12 ILE 6 HD2 ILE 6 40.166 12.164 1.210
47 HD13 ILE 6 HD3 ILE 6 40.658 11.558 2.810
48 H ARG 7 HN ARG 7 43.330 8.834 -3.207
49 HA ARG 7 HA ARG 7 42.357 6.189 -2.151
50 HB2 ARG 7 HB2 ARG 7 42.332 7.005 -4.685
51 HB3 ARG 7 HB1 ARG 7 44.021 6.477 -4.692
52 HG2 ARG 7 HG2 ARG 7 43.273 4.234 -3.833
53 HG3 ARG 7 HG1 ARG 7 41.588 4.778 -3.983
54 HD2 ARG 7 HD2 ARG 7 41.765 4.987 -6.367
55 HD3 ARG 7 HD1 ARG 7 43.538 4.832 -6.319
56 HE ARG 7 HE ARG 7 43.293 2.463 -5.970
57 HH11 ARG 7 HH11 ARG 7 40.474 3.481 -4.621
58 HH12 ARG 7 HH12 ARG 7 39.435 2.356 -5.429
59 HH21 ARG 7 HH21 ARG 7 41.876 1.288 -7.647
60 HH22 ARG 7 HH22 ARG 7 40.228 1.115 -7.142
61 H GLN 8 HN GLN 8 44.413 7.611 -0.768
62 HA GLN 8 HA GLN 8 46.336 7.192 0.333
63 HB2 GLN 8 HB2 GLN 8 46.622 4.539 -1.151
64 HB3 GLN 8 HB1 GLN 8 47.327 5.002 0.409
65 HG2 GLN 8 HG2 GLN 8 44.956 5.224 1.308
66 HG3 GLN 8 HG1 GLN 8 44.393 4.473 -0.202
67 HE21 GLN 8 HE21 GLN 8 45.264 2.246 -0.716
68 HE22 GLN 8 HE22 GLN 8 45.716 1.201 0.635
69 H TYR 9 HN TYR 9 45.760 8.221 -2.331
70 HA TYR 9 HA TYR 9 48.514 8.077 -3.537
71 HB2 TYR 9 HB2 TYR 9 46.586 7.753 -5.076
72 HB3 TYR 9 HB1 TYR 9 45.947 9.340 -4.582
73 HD1 TYR 9 HD1 TYR 9 46.885 11.389 -5.441
74 HD2 TYR 9 HD2 TYR 9 48.811 7.611 -6.246
75 HE1 TYR 9 HE1 TYR 9 48.365 12.499 -7.109
76 HE2 TYR 9 HE2 TYR 9 50.291 8.721 -7.913
77 HH TYR 9 HH TYR 9 49.877 12.066 -8.863
78 H LEU 10 HN LEU 10 46.298 9.885 -1.589
79 HA LEU 10 HA LEU 10 47.764 12.468 -2.027
80 HB2 LEU 10 HB2 LEU 10 45.365 12.553 -1.460
81 HB3 LEU 10 HB1 LEU 10 45.663 11.624 0.021
82 HG LEU 10 HG LEU 10 46.916 13.437 1.008
83 HD11 LEU 10 HD11 LEU 10 46.788 14.621 -1.790
84 HD12 LEU 10 HD12 LEU 10 48.210 14.381 -0.748
85 HD13 LEU 10 HD13 LEU 10 47.041 15.663 -0.370
86 HD21 LEU 10 HD21 LEU 10 44.405 13.556 1.017
87 HD22 LEU 10 HD22 LEU 10 44.491 14.620 -0.407
88 HD23 LEU 10 HD23 LEU 10 45.188 15.148 1.144
89 H LYS 11 HN LYS 11 48.161 9.569 -0.612
90 HA LYS 11 HA LYS 11 50.029 10.509 1.558
91 HB2 LYS 11 HB2 LYS 11 48.607 7.853 1.231
92 HB3 LYS 11 HB1 LYS 11 49.554 8.395 2.632
93 HG2 LYS 11 HG2 LYS 11 47.907 10.233 3.007
94 HG3 LYS 11 HG1 LYS 11 46.961 9.646 1.620
95 HD2 LYS 11 HD2 LYS 11 46.732 7.426 2.766
96 HD3 LYS 11 HD1 LYS 11 47.560 8.111 4.186
97 HE2 LYS 11 HE2 LYS 11 44.996 9.224 2.962
98 HE3 LYS 11 HE1 LYS 11 45.066 8.182 4.403
99 HZ1 LYS 11 HZ1 LYS 11 45.003 10.682 4.771
100 HZ2 LYS 11 HZ2 LYS 11 46.610 10.707 4.220
101 HZ3 LYS 11 HZ3 LYS 11 46.198 9.816 5.606
102 H ASN 12 HN ASN 12 49.303 7.972 -0.691
103 HA ASN 12 HA ASN 12 50.724 7.086 -2.333
104 HB2 ASN 12 HB2 ASN 12 52.464 8.932 -1.933
105 HB3 ASN 12 HB1 ASN 12 53.171 7.842 -0.731
106 HD21 ASN 12 HD21 ASN 12 53.839 5.611 -1.526
107 HD22 ASN 12 HD22 ASN 12 54.354 5.466 -3.210
108 H GLU 13 HN GLU 13 49.614 6.608 0.427
109 HA GLU 13 HA GLU 13 49.255 4.689 1.719
110 HB2 GLU 13 HB2 GLU 13 49.925 3.505 -0.547
111 HB3 GLU 13 HB1 GLU 13 51.471 3.205 0.273
112 HG2 GLU 13 HG2 GLU 13 50.196 2.170 2.185
113 HG3 GLU 13 HG1 GLU 13 48.704 2.347 1.230
114 H ILE 14 HN ILE 14 51.588 6.709 1.571
115 HA ILE 14 HA ILE 14 53.017 5.960 4.043
116 HB ILE 14 HB ILE 14 55.036 6.825 2.284
117 HG12 ILE 14 HG12 ILE 14 53.601 4.408 1.173
118 HG13 ILE 14 HG11 ILE 14 53.668 6.016 0.444
119 HG21 ILE 14 HG21 ILE 14 55.187 5.260 4.340
120 HG22 ILE 14 HG22 ILE 14 56.226 4.884 2.956
121 HG23 ILE 14 HG23 ILE 14 54.728 3.960 3.222
122 HD11 ILE 14 HD1 ILE 14 55.903 4.017 0.803
123 HD12 ILE 14 HD2 ILE 14 56.265 5.748 0.592
124 HD13 ILE 14 HD3 ILE 14 55.392 4.860 -0.677
125 H LYS 15 HN LYS 15 51.737 8.431 1.891
126 HA LYS 15 HA LYS 15 52.058 10.715 2.425
127 HB2 LYS 15 HB2 LYS 15 52.729 10.095 5.267
128 HB3 LYS 15 HB1 LYS 15 51.791 11.439 4.630
129 HG2 LYS 15 HG2 LYS 15 49.895 10.043 4.238
130 HG3 LYS 15 HG1 LYS 15 50.808 8.567 4.619
131 HD2 LYS 15 HD2 LYS 15 51.174 9.422 6.934
132 HD3 LYS 15 HD1 LYS 15 50.181 10.847 6.541
133 HE2 LYS 15 HE2 LYS 15 48.851 9.103 7.709
134 HE3 LYS 15 HE1 LYS 15 48.250 9.388 6.059
135 HZ1 LYS 15 HZ1 LYS 15 48.930 7.364 5.371
136 HZ2 LYS 15 HZ2 LYS 15 48.794 6.972 7.019
137 HZ3 LYS 15 HZ3 LYS 15 50.312 7.348 6.355
138 H LYS 16 HN LYS 16 53.713 8.703 1.351
139 HA LYS 16 HA LYS 16 55.991 8.397 0.829
140 HB2 LYS 16 HB2 LYS 16 55.553 10.861 0.243
141 HB3 LYS 16 HB1 LYS 16 56.289 11.219 1.804
142 HG2 LYS 16 HG2 LYS 16 58.200 11.347 0.426
143 HG3 LYS 16 HG1 LYS 16 58.262 9.632 0.877
144 HD2 LYS 16 HD2 LYS 16 56.889 9.144 -1.224
145 HD3 LYS 16 HD1 LYS 16 57.162 10.837 -1.696
146 HE2 LYS 16 HE2 LYS 16 59.382 8.845 -1.058
147 HE3 LYS 16 HE1 LYS 16 58.834 9.255 -2.700
148 HZ1 LYS 16 HZ1 LYS 16 60.759 10.566 -1.316
149 HZ2 LYS 16 HZ2 LYS 16 59.401 11.554 -1.059
150 HZ3 LYS 16 HZ3 LYS 16 59.907 11.195 -2.641
151 H LYS 17 HN LYS 17 54.703 8.056 3.499
152 HA LYS 17 HA LYS 17 55.522 7.206 5.506
153 HB2 LYS 17 HB2 LYS 17 57.869 7.090 4.270
154 HB3 LYS 17 HB1 LYS 17 58.234 8.531 5.249
155 HG2 LYS 17 HG2 LYS 17 57.401 7.167 7.277
156 HG3 LYS 17 HG1 LYS 17 57.481 5.743 6.215
157 HD2 LYS 17 HD2 LYS 17 59.784 7.619 6.916
158 HD3 LYS 17 HD1 LYS 17 59.578 5.941 7.470
159 HE2 LYS 17 HE2 LYS 17 60.196 6.947 4.673
160 HE3 LYS 17 HE1 LYS 17 61.092 5.762 5.651
161 HZ1 LYS 17 HZ1 LYS 17 58.807 4.505 5.526
162 HZ2 LYS 17 HZ2 LYS 17 59.946 4.379 4.273
163 HZ3 LYS 17 HZ3 LYS 17 58.614 5.422 4.112
164 H GLY 18 HN GLY 18 54.279 10.055 4.815
165 HA2 GLY 18 HA1 GLY 18 53.966 11.022 7.403
166 HA3 GLY 18 HA2 GLY 18 55.627 11.581 7.080
167 H ARG 19 HN ARG 19 53.939 11.408 4.290
168 HA ARG 19 HA ARG 19 53.041 13.060 2.950
169 HB2 ARG 19 HB2 ARG 19 52.080 14.038 5.344
170 HB3 ARG 19 HB1 ARG 19 53.350 15.247 5.028
171 HG2 ARG 19 HG2 ARG 19 52.369 15.678 2.785
172 HG3 ARG 19 HG1 ARG 19 51.091 14.483 3.116
173 HD2 ARG 19 HD2 ARG 19 50.234 15.805 4.957
174 HD3 ARG 19 HD1 ARG 19 51.619 16.919 4.868
175 HE ARG 19 HE ARG 19 50.545 18.012 3.068
176 HH11 ARG 19 HH11 ARG 19 48.878 18.269 1.564
177 HH12 ARG 19 HH12 ARG 19 47.711 17.005 1.359
178 HH21 ARG 19 HH21 ARG 19 49.171 14.914 3.709
179 HH22 ARG 19 HH22 ARG 19 47.878 15.105 2.572
180 H LYS 20 HN LYS 20 55.702 12.171 4.359
181 HA LYS 20 HA LYS 20 57.571 14.245 4.349
182 HB2 LYS 20 HB2 LYS 20 58.077 11.616 3.092
183 HB3 LYS 20 HB1 LYS 20 59.194 12.987 3.299
184 HG2 LYS 20 HG2 LYS 20 58.757 12.840 5.811
185 HG3 LYS 20 HG1 LYS 20 57.848 11.341 5.517
186 HD2 LYS 20 HD2 LYS 20 59.846 10.287 4.546
187 HD3 LYS 20 HD1 LYS 20 60.766 11.797 4.755
188 HE2 LYS 20 HE2 LYS 20 59.453 10.277 7.048
189 HE3 LYS 20 HE1 LYS 20 61.160 10.090 6.581
190 HZ1 LYS 20 HZ1 LYS 20 61.411 12.516 6.895
191 HZ2 LYS 20 HZ2 LYS 20 60.994 11.702 8.328
192 HZ3 LYS 20 HZ3 LYS 20 59.820 12.591 7.481
193 H ALA 21 HN ALA 21 55.803 12.693 1.905
194 HA ALA 21 HA ALA 21 57.325 13.365 -0.385
195 HB1 ALA 21 HB1 ALA 21 54.694 14.248 -0.948
196 HB2 ALA 21 HB2 ALA 21 54.543 13.004 0.297
197 HB3 ALA 21 HB3 ALA 21 55.338 12.621 -1.247
198 H VAL 22 HN VAL 22 57.429 14.802 1.908
199 HA VAL 22 HA VAL 22 58.482 17.203 1.257
200 HB VAL 22 HB VAL 22 56.540 18.109 0.047
201 HG11 VAL 22 HG11 VAL 22 54.827 16.784 1.350
202 HG12 VAL 22 HG12 VAL 22 54.403 18.497 1.138
203 HG13 VAL 22 HG13 VAL 22 55.043 17.925 2.695
204 HG21 VAL 22 HG21 VAL 22 56.416 20.259 1.083
205 HG22 VAL 22 HG22 VAL 22 58.022 19.613 1.494
206 HG23 VAL 22 HG23 VAL 22 56.716 19.584 2.702
207 H ILE 23 HN ILE 23 56.460 15.608 3.810
208 HA ILE 23 HA ILE 23 57.413 17.652 5.683
209 HB ILE 23 HB ILE 23 56.089 14.951 5.893
210 HG12 ILE 23 HG12 ILE 23 54.633 16.071 7.418
211 HG13 ILE 23 HG11 ILE 23 55.798 17.384 7.694
212 HG21 ILE 23 HG21 ILE 23 56.597 14.770 8.333
213 HG22 ILE 23 HG22 ILE 23 57.805 16.061 8.157
214 HG23 ILE 23 HG23 ILE 23 58.036 14.504 7.325
215 HD11 ILE 23 HD1 ILE 23 54.888 16.988 4.849
216 HD12 ILE 23 HD2 ILE 23 55.220 18.493 5.732
217 HD13 ILE 23 HD3 ILE 23 53.685 17.635 5.986
218 H ALA 24 HN ALA 24 59.012 15.714 3.466
219 HA ALA 24 HA ALA 24 61.516 16.288 4.163
220 HB1 ALA 24 HB1 ALA 24 61.764 15.575 6.361
221 HB2 ALA 24 HB2 ALA 24 62.318 14.109 5.534
222 HB3 ALA 24 HB3 ALA 24 60.651 14.210 6.141
223 H TRP 25 HN TRP 25 60.001 15.417 2.091
224 HA TRP 25 HA TRP 25 61.866 14.420 0.361
225 HB2 TRP 25 HB2 TRP 25 60.885 12.151 2.043
226 HB3 TRP 25 HB1 TRP 25 60.823 11.830 0.307
227 HD1 TRP 25 HD1 TRP 25 63.038 11.249 3.016
228 HE1 TRP 25 HE1 TRP 25 65.537 11.127 2.313
229 HE3 TRP 25 HE3 TRP 25 62.684 13.413 -1.615
230 HZ2 TRP 25 HZ2 TRP 25 67.136 11.876 0.041
231 HZ3 TRP 25 HZ3 TRP 25 64.711 13.696 -3.031
232 HH2 TRP 25 HH2 TRP 25 66.934 12.931 -2.210
Start of MODEL 10
1 H1 ALA 1 HT1 ALA 1 45.888 3.071 -7.366
2 H2 ALA 1 HT2 ALA 1 44.549 2.096 -7.748
3 H3 ALA 1 HT3 ALA 1 44.576 2.980 -6.297
4 HA ALA 1 HA ALA 1 44.708 4.262 -8.938
5 HB1 ALA 1 HB1 ALA 1 42.652 3.001 -8.922
6 HB2 ALA 1 HB2 ALA 1 42.258 4.706 -8.598
7 HB3 ALA 1 HB3 ALA 1 42.285 3.529 -7.264
8 H GLY 2 HN GLY 2 43.123 6.370 -8.411
9 HA2 GLY 2 HA1 GLY 2 43.506 7.557 -5.812
10 HA3 GLY 2 HA2 GLY 2 44.761 8.128 -6.951
11 H LYS 3 HN LYS 3 41.471 7.170 -7.550
12 HA LYS 3 HA LYS 3 40.873 9.994 -8.284
13 HB2 LYS 3 HB2 LYS 3 39.111 7.601 -8.937
14 HB3 LYS 3 HB1 LYS 3 39.078 9.215 -9.686
15 HG2 LYS 3 HG2 LYS 3 41.386 7.230 -9.918
16 HG3 LYS 3 HG1 LYS 3 40.142 7.499 -11.162
17 HD2 LYS 3 HD2 LYS 3 40.821 9.978 -11.110
18 HD3 LYS 3 HD1 LYS 3 42.230 9.469 -10.148
19 HE2 LYS 3 HE2 LYS 3 42.877 9.555 -12.500
20 HE3 LYS 3 HE1 LYS 3 42.832 7.853 -11.979
21 HZ1 LYS 3 HZ1 LYS 3 41.687 8.511 -14.170
22 HZ2 LYS 3 HZ2 LYS 3 40.449 9.125 -13.181
23 HZ3 LYS 3 HZ3 LYS 3 40.862 7.479 -13.107
24 H GLU 4 HN GLU 4 40.522 7.444 -6.219
25 HA GLU 4 HA GLU 4 38.225 8.575 -4.773
26 HB2 GLU 4 HB2 GLU 4 39.721 6.130 -4.704
27 HB3 GLU 4 HB1 GLU 4 40.176 6.954 -3.192
28 HG2 GLU 4 HG2 GLU 4 38.217 5.550 -2.778
29 HG3 GLU 4 HG1 GLU 4 37.715 7.257 -2.699
30 H THR 5 HN THR 5 41.416 9.279 -5.718
31 HA THR 5 HA THR 5 43.203 10.200 -4.374
32 HB THR 5 HB THR 5 42.521 11.965 -5.915
33 HG1 THR 5 HG1 THR 5 43.210 12.547 -3.330
34 HG21 THR 5 HG21 THR 5 40.056 11.769 -5.257
35 HG22 THR 5 HG22 THR 5 40.646 13.419 -5.561
36 HG23 THR 5 HG23 THR 5 40.428 12.845 -3.890
37 H ILE 6 HN ILE 6 42.657 8.915 -2.840
38 HA ILE 6 HA ILE 6 43.152 9.693 -0.277
39 HB ILE 6 HB ILE 6 40.529 10.547 -0.598
40 HG12 ILE 6 HG12 ILE 6 41.608 9.157 1.890
41 HG13 ILE 6 HG11 ILE 6 41.950 10.838 1.419
42 HG21 ILE 6 HG21 ILE 6 39.868 8.117 -1.154
43 HG22 ILE 6 HG22 ILE 6 38.917 8.945 0.095
44 HG23 ILE 6 HG23 ILE 6 40.165 7.766 0.563
45 HD11 ILE 6 HD1 ILE 6 40.162 11.046 2.959
46 HD12 ILE 6 HD2 ILE 6 39.320 9.617 2.318
47 HD13 ILE 6 HD3 ILE 6 39.350 11.130 1.378
48 H ARG 7 HN ARG 7 42.647 7.956 -2.953
49 HA ARG 7 HA ARG 7 42.120 5.287 -1.735
50 HB2 ARG 7 HB2 ARG 7 42.060 6.370 -4.355
51 HB3 ARG 7 HB1 ARG 7 43.458 5.292 -4.398
52 HG2 ARG 7 HG2 ARG 7 40.705 4.438 -3.385
53 HG3 ARG 7 HG1 ARG 7 41.275 4.193 -5.051
54 HD2 ARG 7 HD2 ARG 7 42.824 3.204 -2.626
55 HD3 ARG 7 HD1 ARG 7 41.607 2.213 -3.464
56 HE ARG 7 HE ARG 7 43.591 3.314 -5.295
57 HH11 ARG 7 HH11 ARG 7 44.588 1.638 -2.744
58 HH12 ARG 7 HH12 ARG 7 44.923 0.140 -3.546
59 HH21 ARG 7 HH21 ARG 7 43.280 1.031 -6.467
60 HH22 ARG 7 HH22 ARG 7 44.183 -0.204 -5.654
61 H GLN 8 HN GLN 8 44.211 6.996 -0.669
62 HA GLN 8 HA GLN 8 46.224 6.714 0.288
63 HB2 GLN 8 HB2 GLN 8 46.613 4.104 -1.252
64 HB3 GLN 8 HB1 GLN 8 47.517 4.669 0.163
65 HG2 GLN 8 HG2 GLN 8 44.519 4.124 0.204
66 HG3 GLN 8 HG1 GLN 8 45.751 2.939 0.694
67 HE21 GLN 8 HE21 GLN 8 47.020 3.369 2.644
68 HE22 GLN 8 HE22 GLN 8 46.490 4.592 3.803
69 H TYR 9 HN TYR 9 45.317 7.689 -2.331
70 HA TYR 9 HA TYR 9 47.983 7.890 -3.708
71 HB2 TYR 9 HB2 TYR 9 46.086 7.335 -5.172
72 HB3 TYR 9 HB1 TYR 9 45.190 8.754 -4.575
73 HD1 TYR 9 HD1 TYR 9 45.748 10.999 -5.312
74 HD2 TYR 9 HD2 TYR 9 48.150 7.630 -6.540
75 HE1 TYR 9 HE1 TYR 9 46.892 12.430 -7.000
76 HE2 TYR 9 HE2 TYR 9 49.293 9.061 -8.230
77 HH TYR 9 HH TYR 9 49.649 11.355 -8.818
78 H LEU 10 HN LEU 10 45.692 9.367 -1.613
79 HA LEU 10 HA LEU 10 46.895 12.102 -2.012
80 HB2 LEU 10 HB2 LEU 10 44.351 11.377 -1.354
81 HB3 LEU 10 HB1 LEU 10 45.020 11.504 0.285
82 HG LEU 10 HG LEU 10 45.036 13.681 -1.867
83 HD11 LEU 10 HD11 LEU 10 43.568 13.416 0.795
84 HD12 LEU 10 HD12 LEU 10 42.836 13.334 -0.823
85 HD13 LEU 10 HD13 LEU 10 43.544 14.857 -0.248
86 HD21 LEU 10 HD21 LEU 10 45.871 15.112 0.086
87 HD22 LEU 10 HD22 LEU 10 47.049 13.953 -0.563
88 HD23 LEU 10 HD23 LEU 10 46.188 13.595 0.956
89 H LYS 11 HN LYS 11 47.548 9.210 -0.713
90 HA LYS 11 HA LYS 11 49.441 10.320 1.348
91 HB2 LYS 11 HB2 LYS 11 47.822 7.770 1.659
92 HB3 LYS 11 HB1 LYS 11 48.968 8.475 2.819
93 HG2 LYS 11 HG2 LYS 11 47.522 10.416 3.149
94 HG3 LYS 11 HG1 LYS 11 46.419 9.856 1.869
95 HD2 LYS 11 HD2 LYS 11 46.064 7.739 3.241
96 HD3 LYS 11 HD1 LYS 11 46.958 8.534 4.560
97 HE2 LYS 11 HE2 LYS 11 44.392 9.527 3.243
98 HE3 LYS 11 HE1 LYS 11 44.561 8.885 4.895
99 HZ1 LYS 11 HZ1 LYS 11 45.024 10.938 5.547
100 HZ2 LYS 11 HZ2 LYS 11 45.019 11.516 3.949
101 HZ3 LYS 11 HZ3 LYS 11 46.449 10.898 4.628
102 H ASN 12 HN ASN 12 48.881 8.594 -1.493
103 HA ASN 12 HA ASN 12 50.316 7.115 -2.584
104 HB2 ASN 12 HB2 ASN 12 52.336 8.558 -0.887
105 HB3 ASN 12 HB1 ASN 12 52.747 7.475 -2.242
106 HD21 ASN 12 HD21 ASN 12 52.269 8.178 -4.427
107 HD22 ASN 12 HD22 ASN 12 51.817 9.852 -4.764
108 H GLU 13 HN GLU 13 49.352 6.641 0.436
109 HA GLU 13 HA GLU 13 49.320 4.738 1.791
110 HB2 GLU 13 HB2 GLU 13 49.811 3.562 -0.536
111 HB3 GLU 13 HB1 GLU 13 51.450 3.370 0.121
112 HG2 GLU 13 HG2 GLU 13 50.408 2.328 2.188
113 HG3 GLU 13 HG1 GLU 13 48.848 2.343 1.331
114 H ILE 14 HN ILE 14 51.581 6.842 1.207
115 HA ILE 14 HA ILE 14 53.383 6.247 3.492
116 HB ILE 14 HB ILE 14 54.965 7.436 1.490
117 HG12 ILE 14 HG12 ILE 14 53.519 4.983 0.474
118 HG13 ILE 14 HG11 ILE 14 53.411 6.632 -0.172
119 HG21 ILE 14 HG21 ILE 14 55.110 4.503 2.247
120 HG22 ILE 14 HG22 ILE 14 55.625 5.779 3.368
121 HG23 ILE 14 HG23 ILE 14 56.440 5.598 1.804
122 HD11 ILE 14 HD1 ILE 14 55.755 4.721 -0.272
123 HD12 ILE 14 HD2 ILE 14 56.003 6.476 -0.447
124 HD13 ILE 14 HD3 ILE 14 54.978 5.599 -1.609
125 H LYS 15 HN LYS 15 51.506 8.608 1.723
126 HA LYS 15 HA LYS 15 51.525 10.869 2.249
127 HB2 LYS 15 HB2 LYS 15 52.559 9.910 4.934
128 HB3 LYS 15 HB1 LYS 15 51.974 11.541 4.597
129 HG2 LYS 15 HG2 LYS 15 49.781 10.443 3.876
130 HG3 LYS 15 HG1 LYS 15 50.417 8.947 4.603
131 HD2 LYS 15 HD2 LYS 15 50.735 10.148 6.761
132 HD3 LYS 15 HD1 LYS 15 50.036 11.614 6.033
133 HE2 LYS 15 HE2 LYS 15 47.920 10.432 5.618
134 HE3 LYS 15 HE1 LYS 15 48.613 8.926 6.267
135 HZ1 LYS 15 HZ1 LYS 15 47.310 10.051 7.945
136 HZ2 LYS 15 HZ2 LYS 15 48.221 11.473 7.762
137 HZ3 LYS 15 HZ3 LYS 15 48.946 10.071 8.390
138 H LYS 16 HN LYS 16 53.287 9.198 0.878
139 HA LYS 16 HA LYS 16 55.450 9.153 0.016
140 HB2 LYS 16 HB2 LYS 16 55.134 12.069 0.814
141 HB3 LYS 16 HB1 LYS 16 56.545 11.443 -0.086
142 HG2 LYS 16 HG2 LYS 16 53.748 10.778 -1.093
143 HG3 LYS 16 HG1 LYS 16 54.383 12.395 -1.412
144 HD2 LYS 16 HD2 LYS 16 56.477 11.230 -2.387
145 HD3 LYS 16 HD1 LYS 16 55.541 9.720 -2.295
146 HE2 LYS 16 HE2 LYS 16 53.735 10.842 -3.657
147 HE3 LYS 16 HE1 LYS 16 54.821 12.236 -3.857
148 HZ1 LYS 16 HZ1 LYS 16 56.473 10.688 -4.811
149 HZ2 LYS 16 HZ2 LYS 16 55.048 10.782 -5.731
150 HZ3 LYS 16 HZ3 LYS 16 55.331 9.437 -4.733
151 H LYS 17 HN LYS 17 54.731 8.530 2.798
152 HA LYS 17 HA LYS 17 55.998 7.723 4.569
153 HB2 LYS 17 HB2 LYS 17 58.114 8.215 3.065
154 HB3 LYS 17 HB1 LYS 17 58.255 9.670 4.066
155 HG2 LYS 17 HG2 LYS 17 59.562 8.164 5.302
156 HG3 LYS 17 HG1 LYS 17 57.983 7.970 6.095
157 HD2 LYS 17 HD2 LYS 17 57.522 5.954 4.778
158 HD3 LYS 17 HD1 LYS 17 59.015 6.187 3.838
159 HE2 LYS 17 HE2 LYS 17 60.367 5.910 5.875
160 HE3 LYS 17 HE1 LYS 17 58.889 5.738 6.852
161 HZ1 LYS 17 HZ1 LYS 17 60.097 3.865 4.941
162 HZ2 LYS 17 HZ2 LYS 17 58.403 3.875 5.085
163 HZ3 LYS 17 HZ3 LYS 17 59.373 3.562 6.445
164 H GLY 18 HN GLY 18 54.163 10.337 4.194
165 HA2 GLY 18 HA1 GLY 18 53.474 11.313 6.499
166 HA3 GLY 18 HA2 GLY 18 55.192 11.680 6.739
167 H ARG 19 HN ARG 19 53.438 12.027 3.713
168 HA ARG 19 HA ARG 19 53.419 13.895 2.369
169 HB2 ARG 19 HB2 ARG 19 53.540 15.624 4.878
170 HB3 ARG 19 HB1 ARG 19 52.739 15.967 3.324
171 HG2 ARG 19 HG2 ARG 19 51.149 14.056 3.807
172 HG3 ARG 19 HG1 ARG 19 51.873 13.939 5.428
173 HD2 ARG 19 HD2 ARG 19 49.926 15.328 5.663
174 HD3 ARG 19 HD1 ARG 19 51.327 16.425 5.715
175 HE ARG 19 HE ARG 19 50.271 16.098 3.016
176 HH11 ARG 19 HH11 ARG 19 50.665 18.518 2.579
177 HH12 ARG 19 HH12 ARG 19 49.563 19.549 3.429
178 HH21 ARG 19 HH21 ARG 19 48.519 17.072 5.619
179 HH22 ARG 19 HH22 ARG 19 48.349 18.731 5.151
180 H LYS 20 HN LYS 20 55.751 12.426 3.815
181 HA LYS 20 HA LYS 20 57.694 14.440 4.480
182 HB2 LYS 20 HB2 LYS 20 58.335 11.865 3.170
183 HB3 LYS 20 HB1 LYS 20 59.465 13.222 3.462
184 HG2 LYS 20 HG2 LYS 20 58.795 13.062 5.948
185 HG3 LYS 20 HG1 LYS 20 58.044 11.512 5.549
186 HD2 LYS 20 HD2 LYS 20 60.246 10.730 4.619
187 HD3 LYS 20 HD1 LYS 20 60.967 12.254 5.172
188 HE2 LYS 20 HE2 LYS 20 60.477 11.742 7.483
189 HE3 LYS 20 HE1 LYS 20 59.489 10.336 7.019
190 HZ1 LYS 20 HZ1 LYS 20 61.998 10.090 7.735
191 HZ2 LYS 20 HZ2 LYS 20 62.271 10.431 6.093
192 HZ3 LYS 20 HZ3 LYS 20 61.318 9.097 6.540
193 H ALA 21 HN ALA 21 56.352 13.145 1.665
194 HA ALA 21 HA ALA 21 58.311 14.077 -0.220
195 HB1 ALA 21 HB1 ALA 21 56.146 15.068 -1.467
196 HB2 ALA 21 HB2 ALA 21 55.357 14.147 -0.180
197 HB3 ALA 21 HB3 ALA 21 56.431 13.329 -1.336
198 H VAL 22 HN VAL 22 57.988 15.290 2.181
199 HA VAL 22 HA VAL 22 59.162 17.714 1.869
200 HB VAL 22 HB VAL 22 57.268 18.755 0.681
201 HG11 VAL 22 HG11 VAL 22 55.104 19.078 1.935
202 HG12 VAL 22 HG12 VAL 22 55.723 17.973 3.187
203 HG13 VAL 22 HG13 VAL 22 55.451 17.380 1.531
204 HG21 VAL 22 HG21 VAL 22 57.282 19.890 3.505
205 HG22 VAL 22 HG22 VAL 22 57.062 20.761 1.968
206 HG23 VAL 22 HG23 VAL 22 58.654 20.084 2.388
207 H ILE 23 HN ILE 23 56.895 15.979 4.180
208 HA ILE 23 HA ILE 23 57.962 17.762 6.237
209 HB ILE 23 HB ILE 23 56.851 14.912 6.480
210 HG12 ILE 23 HG12 ILE 23 55.859 17.653 7.394
211 HG13 ILE 23 HG11 ILE 23 55.287 16.802 5.947
212 HG21 ILE 23 HG21 ILE 23 58.387 14.992 8.280
213 HG22 ILE 23 HG22 ILE 23 56.900 15.606 9.022
214 HG23 ILE 23 HG23 ILE 23 58.169 16.741 8.518
215 HD11 ILE 23 HD1 ILE 23 53.662 15.927 7.332
216 HD12 ILE 23 HD2 ILE 23 54.560 16.367 8.802
217 HD13 ILE 23 HD3 ILE 23 54.946 14.860 7.946
218 H ALA 24 HN ALA 24 59.523 15.929 3.891
219 HA ALA 24 HA ALA 24 62.067 16.295 4.629
220 HB1 ALA 24 HB1 ALA 24 62.729 14.061 5.936
221 HB2 ALA 24 HB2 ALA 24 61.053 14.175 6.517
222 HB3 ALA 24 HB3 ALA 24 62.196 15.503 6.822
223 H TRP 25 HN TRP 25 60.594 15.682 2.445
224 HA TRP 25 HA TRP 25 60.595 14.388 0.508
225 HB2 TRP 25 HB2 TRP 25 62.951 15.352 0.655
226 HB3 TRP 25 HB1 TRP 25 63.467 13.776 1.297
227 HD1 TRP 25 HD1 TRP 25 61.266 14.896 -1.710
228 HE1 TRP 25 HE1 TRP 25 61.964 13.534 -3.812
229 HE3 TRP 25 HE3 TRP 25 64.977 12.049 0.371
230 HZ2 TRP 25 HZ2 TRP 25 63.883 11.490 -4.467
231 HZ3 TRP 25 HZ3 TRP 25 66.229 10.399 -1.011
232 HH2 TRP 25 HH2 TRP 25 65.685 10.117 -3.426