Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
648183 | 6o8s RC | 30588 | 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 45.807 3.360 12.766
2 H2 ALA 1 HT2 ALA 1 46.339 2.745 14.258
3 H3 ALA 1 HT3 ALA 1 47.421 2.875 12.954
4 HA ALA 1 HA ALA 1 46.057 5.180 14.176
5 HB1 ALA 1 HB1 ALA 1 48.279 5.591 15.277
6 HB2 ALA 1 HB2 ALA 1 48.768 3.953 14.779
7 HB3 ALA 1 HB3 ALA 1 47.405 4.171 15.903
8 H GLY 2 HN GLY 2 48.154 3.694 11.825
9 HA2 GLY 2 HA1 GLY 2 48.076 5.947 10.090
10 HA3 GLY 2 HA2 GLY 2 49.613 5.986 10.976
11 H LYS 3 HN LYS 3 48.597 2.810 10.767
12 HA LYS 3 HA LYS 3 50.741 2.028 9.061
13 HB2 LYS 3 HB2 LYS 3 49.553 0.546 10.698
14 HB3 LYS 3 HB1 LYS 3 48.157 0.510 9.596
15 HG2 LYS 3 HG2 LYS 3 49.460 -0.545 7.853
16 HG3 LYS 3 HG1 LYS 3 50.971 -0.310 8.764
17 HD2 LYS 3 HD2 LYS 3 50.156 -1.811 10.542
18 HD3 LYS 3 HD1 LYS 3 48.617 -2.024 9.673
19 HE2 LYS 3 HE2 LYS 3 49.851 -2.983 7.741
20 HE3 LYS 3 HE1 LYS 3 51.379 -2.800 8.635
21 HZ1 LYS 3 HZ1 LYS 3 49.355 -4.150 10.156
22 HZ2 LYS 3 HZ2 LYS 3 50.956 -4.613 9.829
23 HZ3 LYS 3 HZ3 LYS 3 49.721 -4.966 8.716
24 H GLU 4 HN GLU 4 47.361 2.852 8.406
25 HA GLU 4 HA GLU 4 47.966 3.294 5.598
26 HB2 GLU 4 HB2 GLU 4 47.689 0.735 5.804
27 HB3 GLU 4 HB1 GLU 4 45.977 1.061 6.151
28 HG2 GLU 4 HG2 GLU 4 46.120 0.683 3.780
29 HG3 GLU 4 HG1 GLU 4 45.927 2.440 3.992
30 H LYS 5 HN LYS 5 47.127 5.108 7.316
31 HA LYS 5 HA LYS 5 44.297 5.600 6.468
32 HB2 LYS 5 HB2 LYS 5 45.321 5.852 9.329
33 HB3 LYS 5 HB1 LYS 5 43.722 6.377 8.747
34 HG2 LYS 5 HG2 LYS 5 43.272 4.014 8.012
35 HG3 LYS 5 HG1 LYS 5 44.814 3.530 8.756
36 HD2 LYS 5 HD2 LYS 5 44.013 4.413 10.947
37 HD3 LYS 5 HD1 LYS 5 42.452 4.818 10.191
38 HE2 LYS 5 HE2 LYS 5 43.647 2.015 10.214
39 HE3 LYS 5 HE1 LYS 5 42.469 2.599 11.414
40 HZ1 LYS 5 HZ1 LYS 5 42.048 1.752 8.709
41 HZ2 LYS 5 HZ2 LYS 5 41.378 3.286 9.005
42 HZ3 LYS 5 HZ3 LYS 5 40.926 1.958 9.965
43 H ILE 6 HN ILE 6 47.491 6.627 7.359
44 HA ILE 6 HA ILE 6 47.194 9.124 5.975
45 HB ILE 6 HB ILE 6 45.946 9.911 7.896
46 HG12 ILE 6 HG12 ILE 6 48.813 10.920 8.211
47 HG13 ILE 6 HG11 ILE 6 47.727 11.405 6.889
48 HG21 ILE 6 HG21 ILE 6 48.241 9.281 9.786
49 HG22 ILE 6 HG22 ILE 6 46.996 8.061 9.439
50 HG23 ILE 6 HG23 ILE 6 46.536 9.619 10.156
51 HD11 ILE 6 HD1 ILE 6 47.304 11.842 9.875
52 HD12 ILE 6 HD2 ILE 6 46.056 12.149 8.642
53 HD13 ILE 6 HD3 ILE 6 47.571 13.085 8.630
54 H ARG 7 HN ARG 7 48.997 8.413 4.915
55 HA ARG 7 HA ARG 7 51.547 9.229 5.956
56 HB2 ARG 7 HB2 ARG 7 51.335 7.182 7.434
57 HB3 ARG 7 HB1 ARG 7 51.152 6.193 5.968
58 HG2 ARG 7 HG2 ARG 7 53.364 6.765 5.202
59 HG3 ARG 7 HG1 ARG 7 53.537 8.023 6.449
60 HD2 ARG 7 HD2 ARG 7 53.433 6.288 8.216
61 HD3 ARG 7 HD1 ARG 7 53.267 5.029 6.969
62 HE ARG 7 HE ARG 7 55.636 6.670 6.558
63 HH11 ARG 7 HH11 ARG 7 57.090 4.801 6.010
64 HH12 ARG 7 HH12 ARG 7 57.360 3.691 7.312
65 HH21 ARG 7 HH21 ARG 7 54.756 4.914 9.247
66 HH22 ARG 7 HH22 ARG 7 56.038 3.755 9.143
67 H LYS 8 HN LYS 8 49.285 7.797 4.124
68 HA LYS 8 HA LYS 8 50.123 8.614 1.652
69 HB2 LYS 8 HB2 LYS 8 50.365 6.092 0.740
70 HB3 LYS 8 HB1 LYS 8 51.786 7.054 1.202
71 HG2 LYS 8 HG2 LYS 8 52.150 5.868 3.185
72 HG3 LYS 8 HG1 LYS 8 50.439 5.435 3.379
73 HD2 LYS 8 HD2 LYS 8 50.596 3.769 1.617
74 HD3 LYS 8 HD1 LYS 8 52.243 4.300 1.200
75 HE2 LYS 8 HE2 LYS 8 53.018 3.643 3.471
76 HE3 LYS 8 HE1 LYS 8 51.375 3.077 3.857
77 HZ1 LYS 8 HZ1 LYS 8 51.540 1.333 2.383
78 HZ2 LYS 8 HZ2 LYS 8 53.132 1.413 2.973
79 HZ3 LYS 8 HZ3 LYS 8 52.752 2.067 1.451
80 H LYS 9 HN LYS 9 48.750 5.492 2.910
81 HA LYS 9 HA LYS 9 46.556 4.711 2.698
82 HB2 LYS 9 HB2 LYS 9 46.213 7.056 3.818
83 HB3 LYS 9 HB1 LYS 9 45.645 7.545 2.212
84 HG2 LYS 9 HG2 LYS 9 44.031 5.584 2.276
85 HG3 LYS 9 HG1 LYS 9 44.502 5.337 3.975
86 HD2 LYS 9 HD2 LYS 9 43.757 7.607 4.545
87 HD3 LYS 9 HD1 LYS 9 43.362 7.928 2.839
88 HE2 LYS 9 HE2 LYS 9 42.068 5.829 4.635
89 HE3 LYS 9 HE1 LYS 9 41.314 7.330 4.047
90 HZ1 LYS 9 HZ1 LYS 9 42.131 6.238 1.755
91 HZ2 LYS 9 HZ2 LYS 9 40.590 5.977 2.420
92 HZ3 LYS 9 HZ3 LYS 9 41.823 4.830 2.648
93 H LEU 10 HN LEU 10 48.383 6.056 0.577
94 HA LEU 10 HA LEU 10 48.590 5.619 -1.710
95 HB2 LEU 10 HB2 LEU 10 46.401 4.132 -1.467
96 HB3 LEU 10 HB1 LEU 10 45.570 5.588 -2.058
97 HG LEU 10 HG LEU 10 47.474 5.531 -3.946
98 HD11 LEU 10 HD11 LEU 10 48.178 3.272 -4.536
99 HD12 LEU 10 HD12 LEU 10 47.235 2.582 -3.193
100 HD13 LEU 10 HD13 LEU 10 48.664 3.583 -2.854
101 HD21 LEU 10 HD21 LEU 10 45.102 3.608 -3.887
102 HD22 LEU 10 HD22 LEU 10 45.967 4.129 -5.353
103 HD23 LEU 10 HD23 LEU 10 45.057 5.315 -4.388
104 H LYS 11 HN LYS 11 48.519 8.025 -0.061
105 HA LYS 11 HA LYS 11 48.734 10.179 -1.617
106 HB2 LYS 11 HB2 LYS 11 46.459 11.248 -1.947
107 HB3 LYS 11 HB1 LYS 11 46.661 9.835 -2.985
108 HG2 LYS 11 HG2 LYS 11 44.732 8.963 -2.100
109 HG3 LYS 11 HG1 LYS 11 45.558 8.808 -0.537
110 HD2 LYS 11 HD2 LYS 11 44.890 11.135 0.038
111 HD3 LYS 11 HD1 LYS 11 44.042 11.268 -1.521
112 HE2 LYS 11 HE2 LYS 11 42.675 9.240 -0.855
113 HE3 LYS 11 HE1 LYS 11 43.415 9.349 0.761
114 HZ1 LYS 11 HZ1 LYS 11 41.168 10.606 0.079
115 HZ2 LYS 11 HZ2 LYS 11 42.297 11.818 -0.302
116 HZ3 LYS 11 HZ3 LYS 11 42.231 11.178 1.270
117 H ASN 12 HN ASN 12 46.299 9.419 1.021
118 HA ASN 12 HA ASN 12 46.300 10.716 3.046
119 HB2 ASN 12 HB2 ASN 12 48.534 9.618 3.243
120 HB3 ASN 12 HB1 ASN 12 49.317 10.879 2.194
121 HD21 ASN 12 HD21 ASN 12 46.882 12.396 4.046
122 HD22 ASN 12 HD22 ASN 12 47.888 12.942 5.392
123 H GLU 13 HN GLU 13 48.790 11.885 1.288
124 HA GLU 13 HA GLU 13 48.617 13.727 -0.356
125 HB2 GLU 13 HB2 GLU 13 47.680 14.960 2.305
126 HB3 GLU 13 HB1 GLU 13 48.734 15.931 1.269
127 HG2 GLU 13 HG2 GLU 13 46.205 14.592 0.226
128 HG3 GLU 13 HG1 GLU 13 46.210 16.235 0.911
129 H ILE 14 HN ILE 14 50.281 11.917 -0.165
130 HA ILE 14 HA ILE 14 52.801 13.325 0.519
131 HB ILE 14 HB ILE 14 51.844 12.998 2.999
132 HG12 ILE 14 HG12 ILE 14 54.658 12.099 2.251
133 HG13 ILE 14 HG11 ILE 14 54.124 13.789 2.409
134 HG21 ILE 14 HG21 ILE 14 51.908 10.920 4.001
135 HG22 ILE 14 HG22 ILE 14 53.234 10.339 2.974
136 HG23 ILE 14 HG23 ILE 14 51.575 10.373 2.345
137 HD11 ILE 14 HD1 ILE 14 55.138 13.257 4.503
138 HD12 ILE 14 HD2 ILE 14 54.328 11.676 4.586
139 HD13 ILE 14 HD3 ILE 14 53.386 13.171 4.801
140 H LYS 15 HN LYS 15 51.401 11.963 -1.192
141 HA LYS 15 HA LYS 15 53.026 9.664 -1.916
142 HB2 LYS 15 HB2 LYS 15 51.563 9.006 -0.134
143 HB3 LYS 15 HB1 LYS 15 50.331 10.102 -0.926
144 HG2 LYS 15 HG2 LYS 15 50.036 7.453 -1.166
145 HG3 LYS 15 HG1 LYS 15 50.002 8.362 -2.694
146 HD2 LYS 15 HD2 LYS 15 52.335 7.750 -3.129
147 HD3 LYS 15 HD1 LYS 15 52.494 7.057 -1.503
148 HE2 LYS 15 HE2 LYS 15 50.441 6.029 -3.497
149 HE3 LYS 15 HE1 LYS 15 52.106 5.403 -3.441
150 HZ1 LYS 15 HZ1 LYS 15 51.812 4.630 -1.270
151 HZ2 LYS 15 HZ2 LYS 15 50.364 4.211 -2.054
152 HZ3 LYS 15 HZ3 LYS 15 50.412 5.553 -1.014
153 H LYS 16 HN LYS 16 50.803 11.916 -2.070
154 HA LYS 16 HA LYS 16 50.135 11.862 -4.993
155 HB2 LYS 16 HB2 LYS 16 48.454 11.054 -3.531
156 HB3 LYS 16 HB1 LYS 16 49.184 12.232 -2.352
157 HG2 LYS 16 HG2 LYS 16 47.085 13.311 -2.914
158 HG3 LYS 16 HG1 LYS 16 48.163 14.040 -4.110
159 HD2 LYS 16 HD2 LYS 16 47.461 12.371 -5.791
160 HD3 LYS 16 HD1 LYS 16 46.399 11.602 -4.587
161 HE2 LYS 16 HE2 LYS 16 45.139 13.735 -4.353
162 HE3 LYS 16 HE1 LYS 16 46.180 14.473 -5.593
163 HZ1 LYS 16 HZ1 LYS 16 45.316 13.116 -7.238
164 HZ2 LYS 16 HZ2 LYS 16 43.942 13.458 -6.298
165 HZ3 LYS 16 HZ3 LYS 16 44.727 11.958 -6.146
166 H LYS 17 HN LYS 17 50.635 12.774 -1.677
167 HA LYS 17 HA LYS 17 51.414 15.626 -2.843
168 HB2 LYS 17 HB2 LYS 17 50.094 15.542 -0.528
169 HB3 LYS 17 HB1 LYS 17 51.718 15.198 0.091
170 HG2 LYS 17 HG2 LYS 17 52.552 17.208 -1.117
171 HG3 LYS 17 HG1 LYS 17 50.873 17.581 -1.573
172 HD2 LYS 17 HD2 LYS 17 50.221 17.817 0.753
173 HD3 LYS 17 HD1 LYS 17 51.808 17.233 1.307
174 HE2 LYS 17 HE2 LYS 17 51.592 19.733 1.406
175 HE3 LYS 17 HE1 LYS 17 52.916 19.188 0.349
176 HZ1 LYS 17 HZ1 LYS 17 50.232 19.639 -0.783
177 HZ2 LYS 17 HZ2 LYS 17 51.750 19.736 -1.538
178 HZ3 LYS 17 HZ3 LYS 17 51.242 20.968 -0.484
179 H TRP 18 HN TRP 18 51.853 12.566 -3.033
180 HA TRP 18 HA TRP 18 54.807 13.233 -3.231
181 HB2 TRP 18 HB2 TRP 18 54.620 12.487 -0.740
182 HB3 TRP 18 HB1 TRP 18 54.557 10.856 -1.409
183 HD1 TRP 18 HD1 TRP 18 56.838 13.823 -0.954
184 HE1 TRP 18 HE1 TRP 18 59.286 13.140 -1.496
185 HE3 TRP 18 HE3 TRP 18 55.979 9.125 -2.812
186 HZ2 TRP 18 HZ2 TRP 18 60.654 10.855 -2.583
187 HZ3 TRP 18 HZ3 TRP 18 57.873 7.712 -3.589
188 HH2 TRP 18 HH2 TRP 18 60.208 8.569 -3.472
189 H ARG 19 HN ARG 19 52.246 12.259 -4.612
190 HA ARG 19 HA ARG 19 53.475 9.920 -5.829
191 HB2 ARG 19 HB2 ARG 19 50.843 9.904 -5.755
192 HB3 ARG 19 HB1 ARG 19 50.994 11.074 -7.057
193 HG2 ARG 19 HG2 ARG 19 52.163 9.451 -8.442
194 HG3 ARG 19 HG1 ARG 19 52.270 8.311 -7.084
195 HD2 ARG 19 HD2 ARG 19 49.851 8.042 -7.046
196 HD3 ARG 19 HD1 ARG 19 49.650 9.319 -8.269
197 HE ARG 19 HE ARG 19 50.228 6.569 -8.839
198 HH11 ARG 19 HH11 ARG 19 52.783 7.186 -9.805
199 HH12 ARG 19 HH12 ARG 19 52.543 7.916 -11.358
200 HH21 ARG 19 HH21 ARG 19 49.196 8.631 -10.798
201 HH22 ARG 19 HH22 ARG 19 50.512 8.732 -11.920
202 H LYS 20 HN LYS 20 54.730 12.124 -5.517
203 HA LYS 20 HA LYS 20 56.232 13.178 -7.230
204 HB2 LYS 20 HB2 LYS 20 53.561 13.519 -8.245
205 HB3 LYS 20 HB1 LYS 20 54.994 14.512 -8.800
206 HG2 LYS 20 HG2 LYS 20 55.224 11.483 -9.080
207 HG3 LYS 20 HG1 LYS 20 54.176 12.321 -10.248
208 HD2 LYS 20 HD2 LYS 20 56.037 13.812 -10.878
209 HD3 LYS 20 HD1 LYS 20 57.087 13.031 -9.672
210 HE2 LYS 20 HE2 LYS 20 55.795 11.668 -12.076
211 HE3 LYS 20 HE1 LYS 20 57.515 12.092 -11.912
212 HZ1 LYS 20 HZ1 LYS 20 57.042 10.700 -9.652
213 HZ2 LYS 20 HZ2 LYS 20 57.693 10.038 -11.076
214 HZ3 LYS 20 HZ3 LYS 20 56.032 9.896 -10.752
215 H ALA 21 HN ALA 21 54.365 13.288 -4.972
216 HA ALA 21 HA ALA 21 53.619 14.993 -4.073
217 HB1 ALA 21 HB1 ALA 21 54.389 17.086 -3.644
218 HB2 ALA 21 HB2 ALA 21 54.532 17.261 -5.391
219 HB3 ALA 21 HB3 ALA 21 55.753 16.348 -4.491
220 H VAL 22 HN VAL 22 52.721 13.167 -5.603
221 HA VAL 22 HA VAL 22 51.570 13.225 -7.543
222 HB VAL 22 HB VAL 22 49.447 13.646 -6.044
223 HG11 VAL 22 HG11 VAL 22 50.046 16.124 -5.758
224 HG12 VAL 22 HG12 VAL 22 48.357 15.759 -6.161
225 HG13 VAL 22 HG13 VAL 22 49.465 16.345 -7.419
226 HG21 VAL 22 HG21 VAL 22 47.976 13.582 -7.864
227 HG22 VAL 22 HG22 VAL 22 49.483 12.927 -8.537
228 HG23 VAL 22 HG23 VAL 22 49.011 14.605 -8.873
229 H ILE 23 HN ILE 23 53.644 15.253 -6.830
230 HA ILE 23 HA ILE 23 53.294 16.377 -9.742
231 HB ILE 23 HB ILE 23 51.753 17.820 -7.921
232 HG12 ILE 23 HG12 ILE 23 52.974 18.802 -10.541
233 HG13 ILE 23 HG11 ILE 23 51.509 17.807 -10.379
234 HG21 ILE 23 HG21 ILE 23 52.717 19.963 -7.511
235 HG22 ILE 23 HG22 ILE 23 54.121 19.622 -8.549
236 HG23 ILE 23 HG23 ILE 23 53.942 18.794 -6.992
237 HD11 ILE 23 HD1 ILE 23 50.644 19.748 -8.834
238 HD12 ILE 23 HD2 ILE 23 50.642 19.995 -10.597
239 HD13 ILE 23 HD3 ILE 23 51.932 20.709 -9.601
240 H ALA 24 HN ALA 24 55.040 16.474 -6.731
241 HA ALA 24 HA ALA 24 57.379 17.026 -8.202
242 HB1 ALA 24 HB1 ALA 24 58.099 18.671 -6.553
243 HB2 ALA 24 HB2 ALA 24 56.553 18.229 -5.759
244 HB3 ALA 24 HB3 ALA 24 56.535 19.114 -7.307
245 H TRP 25 HN TRP 25 55.924 15.493 -6.433
246 HA TRP 25 HA TRP 25 56.638 13.563 -4.927
247 HB2 TRP 25 HB2 TRP 25 58.473 12.377 -5.647
248 HB3 TRP 25 HB1 TRP 25 58.502 13.569 -6.957
249 HD1 TRP 25 HD1 TRP 25 60.036 13.101 -3.425
250 HE1 TRP 25 HE1 TRP 25 62.424 14.127 -3.403
251 HE3 TRP 25 HE3 TRP 25 60.140 15.003 -8.176
252 HZ2 TRP 25 HZ2 TRP 25 64.124 15.570 -5.222
253 HZ3 TRP 25 HZ3 TRP 25 62.157 16.199 -9.012
254 HH2 TRP 25 HH2 TRP 25 64.146 16.484 -7.542
Start of MODEL 2
1 H1 ALA 1 HT1 ALA 1 46.110 1.942 14.670
2 H2 ALA 1 HT2 ALA 1 44.749 2.794 14.118
3 H3 ALA 1 HT3 ALA 1 46.205 3.616 14.421
4 HA ALA 1 HA ALA 1 46.694 1.532 12.630
5 HB1 ALA 1 HB1 ALA 1 44.466 3.451 11.862
6 HB2 ALA 1 HB2 ALA 1 44.309 1.692 12.089
7 HB3 ALA 1 HB3 ALA 1 45.298 2.334 10.756
8 H GLY 2 HN GLY 2 47.236 2.772 10.381
9 HA2 GLY 2 HA1 GLY 2 48.065 5.487 10.515
10 HA3 GLY 2 HA2 GLY 2 49.429 4.474 11.029
11 H LYS 3 HN LYS 3 48.997 2.225 9.397
12 HA LYS 3 HA LYS 3 50.387 2.939 7.064
13 HB2 LYS 3 HB2 LYS 3 48.437 0.622 7.398
14 HB3 LYS 3 HB1 LYS 3 49.738 0.741 6.187
15 HG2 LYS 3 HG2 LYS 3 51.426 0.835 7.984
16 HG3 LYS 3 HG1 LYS 3 50.137 0.765 9.212
17 HD2 LYS 3 HD2 LYS 3 49.399 -1.436 8.163
18 HD3 LYS 3 HD1 LYS 3 50.888 -1.384 7.189
19 HE2 LYS 3 HE2 LYS 3 50.811 -1.267 10.236
20 HE3 LYS 3 HE1 LYS 3 51.143 -2.735 9.288
21 HZ1 LYS 3 HZ1 LYS 3 52.739 -0.488 8.475
22 HZ2 LYS 3 HZ2 LYS 3 53.214 -2.067 8.881
23 HZ3 LYS 3 HZ3 LYS 3 52.991 -0.904 10.099
24 H GLU 4 HN GLU 4 47.089 1.609 6.734
25 HA GLU 4 HA GLU 4 46.636 3.460 4.446
26 HB2 GLU 4 HB2 GLU 4 44.785 1.293 5.508
27 HB3 GLU 4 HB1 GLU 4 44.792 2.037 3.892
28 HG2 GLU 4 HG2 GLU 4 47.001 0.297 5.079
29 HG3 GLU 4 HG1 GLU 4 45.851 -0.187 3.810
30 H LYS 5 HN LYS 5 46.755 5.131 6.367
31 HA LYS 5 HA LYS 5 43.939 5.941 6.843
32 HB2 LYS 5 HB2 LYS 5 45.059 4.519 8.844
33 HB3 LYS 5 HB1 LYS 5 45.790 6.089 9.235
34 HG2 LYS 5 HG2 LYS 5 42.807 5.503 8.933
35 HG3 LYS 5 HG1 LYS 5 43.675 5.805 10.458
36 HD2 LYS 5 HD2 LYS 5 44.367 8.071 9.429
37 HD3 LYS 5 HD1 LYS 5 43.140 7.748 8.179
38 HE2 LYS 5 HE2 LYS 5 41.470 7.383 10.081
39 HE3 LYS 5 HE1 LYS 5 42.710 8.036 11.178
40 HZ1 LYS 5 HZ1 LYS 5 42.225 10.086 10.527
41 HZ2 LYS 5 HZ2 LYS 5 40.909 9.470 9.649
42 HZ3 LYS 5 HZ3 LYS 5 42.412 9.693 8.888
43 H ILE 6 HN ILE 6 47.400 6.587 7.436
44 HA ILE 6 HA ILE 6 47.324 9.055 5.974
45 HB ILE 6 HB ILE 6 46.158 9.973 7.913
46 HG12 ILE 6 HG12 ILE 6 49.102 10.787 8.046
47 HG13 ILE 6 HG11 ILE 6 47.950 11.341 6.806
48 HG21 ILE 6 HG21 ILE 6 48.476 9.276 9.747
49 HG22 ILE 6 HG22 ILE 6 47.166 8.104 9.478
50 HG23 ILE 6 HG23 ILE 6 46.802 9.705 10.159
51 HD11 ILE 6 HD1 ILE 6 48.029 13.038 8.526
52 HD12 ILE 6 HD2 ILE 6 47.812 11.826 9.810
53 HD13 ILE 6 HD3 ILE 6 46.475 12.189 8.692
54 H ARG 7 HN ARG 7 49.040 8.352 4.921
55 HA ARG 7 HA ARG 7 51.663 8.865 5.825
56 HB2 ARG 7 HB2 ARG 7 51.604 7.064 7.451
57 HB3 ARG 7 HB1 ARG 7 50.789 5.973 6.307
58 HG2 ARG 7 HG2 ARG 7 52.767 5.763 4.957
59 HG3 ARG 7 HG1 ARG 7 53.562 7.120 5.788
60 HD2 ARG 7 HD2 ARG 7 53.646 5.820 7.879
61 HD3 ARG 7 HD1 ARG 7 52.790 4.472 7.092
62 HE ARG 7 HE ARG 7 54.857 3.836 6.159
63 HH11 ARG 7 HH11 ARG 7 56.543 4.679 4.696
64 HH12 ARG 7 HH12 ARG 7 57.466 6.014 5.299
65 HH21 ARG 7 HH21 ARG 7 55.324 6.641 7.952
66 HH22 ARG 7 HH22 ARG 7 56.776 7.126 7.143
67 H LYS 8 HN LYS 8 49.183 7.750 4.098
68 HA LYS 8 HA LYS 8 50.068 8.291 1.609
69 HB2 LYS 8 HB2 LYS 8 50.188 5.998 0.585
70 HB3 LYS 8 HB1 LYS 8 51.627 6.520 1.487
71 HG2 LYS 8 HG2 LYS 8 50.333 5.239 3.514
72 HG3 LYS 8 HG1 LYS 8 49.626 4.351 2.146
73 HD2 LYS 8 HD2 LYS 8 51.957 3.909 1.301
74 HD3 LYS 8 HD1 LYS 8 52.588 4.655 2.789
75 HE2 LYS 8 HE2 LYS 8 51.243 2.990 4.121
76 HE3 LYS 8 HE1 LYS 8 50.803 2.192 2.593
77 HZ1 LYS 8 HZ1 LYS 8 53.617 2.661 2.789
78 HZ2 LYS 8 HZ2 LYS 8 52.780 1.212 2.491
79 HZ3 LYS 8 HZ3 LYS 8 53.055 1.726 4.088
80 H LYS 9 HN LYS 9 48.370 5.318 2.816
81 HA LYS 9 HA LYS 9 46.110 4.778 2.483
82 HB2 LYS 9 HB2 LYS 9 45.981 7.073 3.742
83 HB3 LYS 9 HB1 LYS 9 45.518 7.711 2.155
84 HG2 LYS 9 HG2 LYS 9 43.652 6.080 2.031
85 HG3 LYS 9 HG1 LYS 9 44.112 5.436 3.626
86 HD2 LYS 9 HD2 LYS 9 43.736 7.688 4.625
87 HD3 LYS 9 HD1 LYS 9 43.222 8.293 3.031
88 HE2 LYS 9 HE2 LYS 9 41.423 6.538 2.998
89 HE3 LYS 9 HE1 LYS 9 41.891 6.079 4.654
90 HZ1 LYS 9 HZ1 LYS 9 41.009 7.955 5.516
91 HZ2 LYS 9 HZ2 LYS 9 40.036 7.896 4.124
92 HZ3 LYS 9 HZ3 LYS 9 41.395 8.915 4.171
93 H LEU 10 HN LEU 10 48.138 6.050 0.493
94 HA LEU 10 HA LEU 10 48.404 5.873 -1.817
95 HB2 LEU 10 HB2 LEU 10 46.098 4.448 -1.664
96 HB3 LEU 10 HB1 LEU 10 45.415 5.939 -2.347
97 HG LEU 10 HG LEU 10 47.771 4.397 -3.538
98 HD11 LEU 10 HD11 LEU 10 45.545 3.195 -3.603
99 HD12 LEU 10 HD12 LEU 10 46.204 3.596 -5.208
100 HD13 LEU 10 HD13 LEU 10 44.890 4.576 -4.515
101 HD21 LEU 10 HD21 LEU 10 47.267 5.860 -5.523
102 HD22 LEU 10 HD22 LEU 10 47.826 6.778 -4.106
103 HD23 LEU 10 HD23 LEU 10 46.096 6.749 -4.525
104 H LYS 11 HN LYS 11 48.456 8.052 -0.049
105 HA LYS 11 HA LYS 11 48.498 10.410 -1.450
106 HB2 LYS 11 HB2 LYS 11 46.275 11.503 -1.063
107 HB3 LYS 11 HB1 LYS 11 46.109 10.214 -2.248
108 HG2 LYS 11 HG2 LYS 11 45.570 8.767 0.008
109 HG3 LYS 11 HG1 LYS 11 45.048 10.375 0.559
110 HD2 LYS 11 HD2 LYS 11 43.648 10.560 -1.539
111 HD3 LYS 11 HD1 LYS 11 44.051 8.863 -1.890
112 HE2 LYS 11 HE2 LYS 11 41.929 8.867 -0.732
113 HE3 LYS 11 HE1 LYS 11 43.155 8.273 0.415
114 HZ1 LYS 11 HZ1 LYS 11 41.716 10.830 0.373
115 HZ2 LYS 11 HZ2 LYS 11 43.311 10.830 0.956
116 HZ3 LYS 11 HZ3 LYS 11 42.136 9.844 1.687
117 H ASN 12 HN ASN 12 46.421 9.666 1.447
118 HA ASN 12 HA ASN 12 46.920 10.627 3.614
119 HB2 ASN 12 HB2 ASN 12 49.286 9.726 3.267
120 HB3 ASN 12 HB1 ASN 12 49.733 11.211 2.361
121 HD21 ASN 12 HD21 ASN 12 48.737 13.272 3.820
122 HD22 ASN 12 HD22 ASN 12 49.312 13.227 5.489
123 H GLU 13 HN GLU 13 48.685 11.802 1.202
124 HA GLU 13 HA GLU 13 48.478 13.521 -0.368
125 HB2 GLU 13 HB2 GLU 13 47.723 15.101 2.222
126 HB3 GLU 13 HB1 GLU 13 48.176 15.892 0.710
127 HG2 GLU 13 HG2 GLU 13 46.280 14.894 -0.458
128 HG3 GLU 13 HG1 GLU 13 45.850 13.948 0.986
129 H ILE 14 HN ILE 14 50.283 12.072 -0.199
130 HA ILE 14 HA ILE 14 52.686 13.596 0.463
131 HB ILE 14 HB ILE 14 51.642 13.155 2.977
132 HG12 ILE 14 HG12 ILE 14 54.592 12.891 2.288
133 HG13 ILE 14 HG11 ILE 14 53.697 14.423 2.433
134 HG21 ILE 14 HG21 ILE 14 53.566 10.838 2.958
135 HG22 ILE 14 HG22 ILE 14 51.900 10.534 2.432
136 HG23 ILE 14 HG23 ILE 14 52.210 11.187 4.050
137 HD11 ILE 14 HD1 ILE 14 54.271 12.382 4.618
138 HD12 ILE 14 HD2 ILE 14 53.068 13.681 4.804
139 HD13 ILE 14 HD3 ILE 14 54.783 14.084 4.548
140 H LYS 15 HN LYS 15 51.287 12.028 -1.172
141 HA LYS 15 HA LYS 15 53.076 9.779 -1.706
142 HB2 LYS 15 HB2 LYS 15 51.391 9.222 -0.049
143 HB3 LYS 15 HB1 LYS 15 50.252 10.128 -1.120
144 HG2 LYS 15 HG2 LYS 15 50.080 7.517 -1.190
145 HG3 LYS 15 HG1 LYS 15 50.326 8.282 -2.763
146 HD2 LYS 15 HD2 LYS 15 52.659 7.722 -2.793
147 HD3 LYS 15 HD1 LYS 15 52.636 7.263 -1.073
148 HE2 LYS 15 HE2 LYS 15 51.141 5.370 -1.578
149 HE3 LYS 15 HE1 LYS 15 51.100 5.843 -3.293
150 HZ1 LYS 15 HZ1 LYS 15 52.831 4.085 -2.288
151 HZ2 LYS 15 HZ2 LYS 15 53.744 5.508 -2.122
152 HZ3 LYS 15 HZ3 LYS 15 53.160 5.043 -3.648
153 H LYS 16 HN LYS 16 50.771 11.937 -2.172
154 HA LYS 16 HA LYS 16 50.520 11.726 -5.171
155 HB2 LYS 16 HB2 LYS 16 49.211 11.823 -2.720
156 HB3 LYS 16 HB1 LYS 16 48.219 12.536 -4.066
157 HG2 LYS 16 HG2 LYS 16 49.392 9.690 -4.289
158 HG3 LYS 16 HG1 LYS 16 47.792 9.937 -3.599
159 HD2 LYS 16 HD2 LYS 16 47.125 11.180 -5.671
160 HD3 LYS 16 HD1 LYS 16 48.709 10.765 -6.370
161 HE2 LYS 16 HE2 LYS 16 48.142 8.317 -5.896
162 HE3 LYS 16 HE1 LYS 16 46.487 8.863 -5.531
163 HZ1 LYS 16 HZ1 LYS 16 46.147 9.539 -7.699
164 HZ2 LYS 16 HZ2 LYS 16 47.072 8.131 -7.917
165 HZ3 LYS 16 HZ3 LYS 16 47.801 9.660 -8.053
166 H LYS 17 HN LYS 17 50.520 12.789 -1.895
167 HA LYS 17 HA LYS 17 51.103 15.649 -3.075
168 HB2 LYS 17 HB2 LYS 17 49.710 15.418 -0.821
169 HB3 LYS 17 HB1 LYS 17 51.329 15.241 -0.137
170 HG2 LYS 17 HG2 LYS 17 51.983 17.331 -1.391
171 HG3 LYS 17 HG1 LYS 17 50.260 17.548 -1.778
172 HD2 LYS 17 HD2 LYS 17 49.680 17.723 0.569
173 HD3 LYS 17 HD1 LYS 17 51.327 17.262 1.064
174 HE2 LYS 17 HE2 LYS 17 50.686 19.737 -0.592
175 HE3 LYS 17 HE1 LYS 17 50.880 19.748 1.177
176 HZ1 LYS 17 HZ1 LYS 17 53.085 19.596 0.993
177 HZ2 LYS 17 HZ2 LYS 17 52.882 20.033 -0.636
178 HZ3 LYS 17 HZ3 LYS 17 53.014 18.395 -0.203
179 H TRP 18 HN TRP 18 51.859 12.539 -3.106
180 HA TRP 18 HA TRP 18 54.742 13.480 -3.233
181 HB2 TRP 18 HB2 TRP 18 54.479 12.803 -0.721
182 HB3 TRP 18 HB1 TRP 18 54.656 11.159 -1.346
183 HD1 TRP 18 HD1 TRP 18 57.005 10.603 -2.588
184 HE1 TRP 18 HE1 TRP 18 59.369 11.640 -2.291
185 HE3 TRP 18 HE3 TRP 18 55.699 14.933 -0.187
186 HZ2 TRP 18 HZ2 TRP 18 60.510 14.026 -1.159
187 HZ3 TRP 18 HZ3 TRP 18 57.444 16.572 0.498
188 HH2 TRP 18 HH2 TRP 18 59.846 16.122 0.015
189 H ARG 19 HN ARG 19 52.358 12.209 -4.685
190 HA ARG 19 HA ARG 19 53.847 9.912 -5.673
191 HB2 ARG 19 HB2 ARG 19 51.224 9.663 -5.743
192 HB3 ARG 19 HB1 ARG 19 51.358 10.750 -7.119
193 HG2 ARG 19 HG2 ARG 19 53.072 9.052 -8.057
194 HG3 ARG 19 HG1 ARG 19 52.492 7.953 -6.788
195 HD2 ARG 19 HD2 ARG 19 51.210 7.487 -8.784
196 HD3 ARG 19 HD1 ARG 19 50.136 8.342 -7.652
197 HE ARG 19 HE ARG 19 51.216 10.380 -9.189
198 HH11 ARG 19 HH11 ARG 19 48.329 9.663 -9.373
199 HH12 ARG 19 HH12 ARG 19 48.163 9.211 -11.037
200 HH21 ARG 19 HH21 ARG 19 51.572 8.816 -11.543
201 HH22 ARG 19 HH22 ARG 19 50.000 8.730 -12.266
202 H LYS 20 HN LYS 20 54.910 12.200 -5.457
203 HA LYS 20 HA LYS 20 56.402 13.269 -7.182
204 HB2 LYS 20 HB2 LYS 20 53.743 13.354 -8.282
205 HB3 LYS 20 HB1 LYS 20 55.110 14.434 -8.834
206 HG2 LYS 20 HG2 LYS 20 55.602 11.433 -8.980
207 HG3 LYS 20 HG1 LYS 20 54.517 12.123 -10.206
208 HD2 LYS 20 HD2 LYS 20 56.239 13.712 -10.905
209 HD3 LYS 20 HD1 LYS 20 57.316 13.170 -9.595
210 HE2 LYS 20 HE2 LYS 20 57.887 12.135 -11.806
211 HE3 LYS 20 HE1 LYS 20 57.445 10.929 -10.575
212 HZ1 LYS 20 HZ1 LYS 20 55.295 12.013 -12.240
213 HZ2 LYS 20 HZ2 LYS 20 55.502 10.447 -11.613
214 HZ3 LYS 20 HZ3 LYS 20 56.380 10.941 -12.982
215 H ALA 21 HN ALA 21 54.397 13.351 -5.004
216 HA ALA 21 HA ALA 21 53.493 15.045 -4.219
217 HB1 ALA 21 HB1 ALA 21 54.319 17.311 -5.603
218 HB2 ALA 21 HB2 ALA 21 55.556 16.526 -4.614
219 HB3 ALA 21 HB3 ALA 21 54.115 17.199 -3.855
220 H VAL 22 HN VAL 22 52.801 13.085 -5.665
221 HA VAL 22 HA VAL 22 51.748 12.961 -7.662
222 HB VAL 22 HB VAL 22 49.522 13.359 -6.287
223 HG11 VAL 22 HG11 VAL 22 49.962 15.879 -6.138
224 HG12 VAL 22 HG12 VAL 22 48.325 15.394 -6.620
225 HG13 VAL 22 HG13 VAL 22 49.482 15.960 -7.843
226 HG21 VAL 22 HG21 VAL 22 49.192 14.102 -9.197
227 HG22 VAL 22 HG22 VAL 22 48.153 13.099 -8.170
228 HG23 VAL 22 HG23 VAL 22 49.724 12.478 -8.718
229 H ILE 23 HN ILE 23 53.660 15.168 -6.980
230 HA ILE 23 HA ILE 23 53.432 16.092 -9.963
231 HB ILE 23 HB ILE 23 51.672 17.533 -8.362
232 HG12 ILE 23 HG12 ILE 23 53.038 18.470 -10.928
233 HG13 ILE 23 HG11 ILE 23 51.644 17.369 -10.834
234 HG21 ILE 23 HG21 ILE 23 52.464 19.752 -8.000
235 HG22 ILE 23 HG22 ILE 23 53.962 19.457 -8.914
236 HG23 ILE 23 HG23 ILE 23 53.720 18.697 -7.329
237 HD11 ILE 23 HD1 ILE 23 50.640 19.471 -11.239
238 HD12 ILE 23 HD2 ILE 23 51.776 20.327 -10.173
239 HD13 ILE 23 HD3 ILE 23 50.500 19.299 -9.473
240 H ALA 24 HN ALA 24 54.970 16.473 -6.862
241 HA ALA 24 HA ALA 24 57.365 17.102 -8.213
242 HB1 ALA 24 HB1 ALA 24 57.881 18.850 -6.595
243 HB2 ALA 24 HB2 ALA 24 56.316 18.347 -5.883
244 HB3 ALA 24 HB3 ALA 24 56.347 19.166 -7.465
245 H TRP 25 HN TRP 25 55.896 15.550 -6.474
246 HA TRP 25 HA TRP 25 56.648 13.662 -4.892
247 HB2 TRP 25 HB2 TRP 25 58.641 13.696 -6.690
248 HB3 TRP 25 HB1 TRP 25 59.564 14.354 -5.332
249 HD1 TRP 25 HD1 TRP 25 56.997 11.448 -5.682
250 HE1 TRP 25 HE1 TRP 25 57.949 9.346 -4.483
251 HE3 TRP 25 HE3 TRP 25 61.451 13.389 -4.069
252 HZ2 TRP 25 HZ2 TRP 25 60.331 8.637 -3.025
253 HZ3 TRP 25 HZ3 TRP 25 63.048 11.983 -2.777
254 HH2 TRP 25 HH2 TRP 25 62.493 9.611 -2.255
Start of MODEL 3
1 H1 ALA 1 HT1 ALA 1 48.094 2.801 14.990
2 H2 ALA 1 HT2 ALA 1 48.840 2.039 13.667
3 H3 ALA 1 HT3 ALA 1 47.441 1.370 14.360
4 HA ALA 1 HA ALA 1 46.591 2.356 12.526
5 HB1 ALA 1 HB1 ALA 1 46.556 4.388 14.780
6 HB2 ALA 1 HB2 ALA 1 45.346 3.129 14.433
7 HB3 ALA 1 HB3 ALA 1 45.544 4.505 13.321
8 H GLY 2 HN GLY 2 46.319 4.661 11.405
9 HA2 GLY 2 HA1 GLY 2 47.332 6.306 10.126
10 HA3 GLY 2 HA2 GLY 2 48.656 6.337 11.306
11 H LYS 3 HN LYS 3 48.065 3.214 10.097
12 HA LYS 3 HA LYS 3 50.599 3.312 8.577
13 HB2 LYS 3 HB2 LYS 3 49.799 1.443 10.202
14 HB3 LYS 3 HB1 LYS 3 48.770 0.903 8.855
15 HG2 LYS 3 HG2 LYS 3 50.781 0.734 7.399
16 HG3 LYS 3 HG1 LYS 3 51.802 1.260 8.757
17 HD2 LYS 3 HD2 LYS 3 51.038 -0.707 10.077
18 HD3 LYS 3 HD1 LYS 3 50.061 -1.244 8.689
19 HE2 LYS 3 HE2 LYS 3 52.200 -2.445 8.694
20 HE3 LYS 3 HE1 LYS 3 52.145 -1.336 7.303
21 HZ1 LYS 3 HZ1 LYS 3 53.525 -0.881 9.902
22 HZ2 LYS 3 HZ2 LYS 3 53.362 0.296 8.688
23 HZ3 LYS 3 HZ3 LYS 3 54.252 -1.120 8.388
24 H GLU 4 HN GLU 4 47.136 2.621 7.976
25 HA GLU 4 HA GLU 4 47.642 3.112 5.039
26 HB2 GLU 4 HB2 GLU 4 46.191 0.842 6.418
27 HB3 GLU 4 HB1 GLU 4 45.570 1.416 4.855
28 HG2 GLU 4 HG2 GLU 4 47.160 -0.444 4.535
29 HG3 GLU 4 HG1 GLU 4 47.799 1.062 3.833
30 H LYS 5 HN LYS 5 46.663 4.717 7.462
31 HA LYS 5 HA LYS 5 43.928 5.436 6.404
32 HB2 LYS 5 HB2 LYS 5 45.219 6.011 9.100
33 HB3 LYS 5 HB1 LYS 5 43.589 6.513 8.596
34 HG2 LYS 5 HG2 LYS 5 42.837 4.230 8.428
35 HG3 LYS 5 HG1 LYS 5 44.491 3.604 8.581
36 HD2 LYS 5 HD2 LYS 5 43.512 3.276 10.730
37 HD3 LYS 5 HD1 LYS 5 44.536 4.715 10.914
38 HE2 LYS 5 HE2 LYS 5 42.272 4.986 11.954
39 HE3 LYS 5 HE1 LYS 5 42.585 6.183 10.680
40 HZ1 LYS 5 HZ1 LYS 5 41.035 5.278 9.336
41 HZ2 LYS 5 HZ2 LYS 5 40.386 4.690 10.793
42 HZ3 LYS 5 HZ3 LYS 5 41.355 3.685 9.823
43 H ILE 6 HN ILE 6 46.765 6.974 7.996
44 HA ILE 6 HA ILE 6 46.763 9.071 5.878
45 HB ILE 6 HB ILE 6 46.772 9.867 8.826
46 HG12 ILE 6 HG12 ILE 6 44.450 9.821 6.842
47 HG13 ILE 6 HG11 ILE 6 44.578 8.885 8.350
48 HG21 ILE 6 HG21 ILE 6 47.812 11.330 6.974
49 HG22 ILE 6 HG22 ILE 6 46.567 12.100 7.983
50 HG23 ILE 6 HG23 ILE 6 46.158 11.528 6.348
51 HD11 ILE 6 HD1 ILE 6 43.211 10.737 8.932
52 HD12 ILE 6 HD2 ILE 6 44.214 11.880 8.010
53 HD13 ILE 6 HD3 ILE 6 44.823 11.188 9.534
54 H ARG 7 HN ARG 7 48.675 8.523 5.109
55 HA ARG 7 HA ARG 7 51.071 9.474 6.277
56 HB2 ARG 7 HB2 ARG 7 50.951 7.701 7.990
57 HB3 ARG 7 HB1 ARG 7 50.651 6.474 6.736
58 HG2 ARG 7 HG2 ARG 7 52.854 6.706 5.832
59 HG3 ARG 7 HG1 ARG 7 53.145 8.222 6.718
60 HD2 ARG 7 HD2 ARG 7 54.345 6.404 7.827
61 HD3 ARG 7 HD1 ARG 7 53.009 6.940 8.873
62 HE ARG 7 HE ARG 7 52.079 4.789 7.231
63 HH11 ARG 7 HH11 ARG 7 54.346 3.230 7.695
64 HH12 ARG 7 HH12 ARG 7 54.209 2.650 9.321
65 HH21 ARG 7 HH21 ARG 7 51.854 5.020 10.250
66 HH22 ARG 7 HH22 ARG 7 52.799 3.663 10.768
67 H LYS 8 HN LYS 8 49.010 7.875 4.377
68 HA LYS 8 HA LYS 8 50.171 8.433 1.967
69 HB2 LYS 8 HB2 LYS 8 50.359 5.863 1.277
70 HB3 LYS 8 HB1 LYS 8 51.777 6.772 1.851
71 HG2 LYS 8 HG2 LYS 8 51.820 5.717 3.940
72 HG3 LYS 8 HG1 LYS 8 50.073 5.400 3.950
73 HD2 LYS 8 HD2 LYS 8 51.334 3.300 3.662
74 HD3 LYS 8 HD1 LYS 8 50.388 3.660 2.199
75 HE2 LYS 8 HE2 LYS 8 52.760 2.928 1.728
76 HE3 LYS 8 HE1 LYS 8 52.356 4.530 1.066
77 HZ1 LYS 8 HZ1 LYS 8 53.684 4.101 3.693
78 HZ2 LYS 8 HZ2 LYS 8 53.445 5.580 2.891
79 HZ3 LYS 8 HZ3 LYS 8 54.519 4.427 2.254
80 H LYS 9 HN LYS 9 48.574 5.361 3.055
81 HA LYS 9 HA LYS 9 46.404 4.622 2.532
82 HB2 LYS 9 HB2 LYS 9 45.946 7.010 3.555
83 HB3 LYS 9 HB1 LYS 9 45.626 7.453 1.872
84 HG2 LYS 9 HG2 LYS 9 44.024 5.438 1.792
85 HG3 LYS 9 HG1 LYS 9 44.179 5.378 3.563
86 HD2 LYS 9 HD2 LYS 9 43.430 7.760 3.683
87 HD3 LYS 9 HD1 LYS 9 43.202 7.755 1.919
88 HE2 LYS 9 HE2 LYS 9 41.051 7.318 2.985
89 HE3 LYS 9 HE1 LYS 9 41.606 5.828 2.185
90 HZ1 LYS 9 HZ1 LYS 9 41.492 4.811 4.134
91 HZ2 LYS 9 HZ2 LYS 9 41.019 6.248 4.908
92 HZ3 LYS 9 HZ3 LYS 9 42.667 5.858 4.769
93 H LEU 10 HN LEU 10 48.603 5.835 0.832
94 HA LEU 10 HA LEU 10 49.354 5.683 -1.328
95 HB2 LEU 10 HB2 LEU 10 46.500 4.822 -2.020
96 HB3 LEU 10 HB1 LEU 10 47.782 5.067 -3.210
97 HG LEU 10 HG LEU 10 49.197 3.399 -1.916
98 HD11 LEU 10 HD11 LEU 10 46.560 3.104 -0.423
99 HD12 LEU 10 HD12 LEU 10 48.196 3.316 0.245
100 HD13 LEU 10 HD13 LEU 10 47.739 1.774 -0.508
101 HD21 LEU 10 HD21 LEU 10 46.528 2.426 -3.031
102 HD22 LEU 10 HD22 LEU 10 47.999 1.441 -2.853
103 HD23 LEU 10 HD23 LEU 10 47.977 2.810 -3.990
104 H LYS 11 HN LYS 11 48.836 7.926 0.135
105 HA LYS 11 HA LYS 11 48.756 10.145 -1.575
106 HB2 LYS 11 HB2 LYS 11 46.746 9.657 -2.791
107 HB3 LYS 11 HB1 LYS 11 45.931 8.984 -1.375
108 HG2 LYS 11 HG2 LYS 11 46.629 11.889 -1.094
109 HG3 LYS 11 HG1 LYS 11 45.524 11.557 -2.429
110 HD2 LYS 11 HD2 LYS 11 44.981 10.341 0.301
111 HD3 LYS 11 HD1 LYS 11 44.531 12.027 -0.034
112 HE2 LYS 11 HE2 LYS 11 43.109 11.353 -1.876
113 HE3 LYS 11 HE1 LYS 11 43.703 9.677 -1.792
114 HZ1 LYS 11 HZ1 LYS 11 41.628 9.752 -0.681
115 HZ2 LYS 11 HZ2 LYS 11 42.061 11.125 0.220
116 HZ3 LYS 11 HZ3 LYS 11 42.810 9.633 0.530
117 H ASN 12 HN ASN 12 46.425 9.438 1.174
118 HA ASN 12 HA ASN 12 46.517 10.760 3.181
119 HB2 ASN 12 HB2 ASN 12 48.781 9.750 3.385
120 HB3 ASN 12 HB1 ASN 12 49.519 10.954 2.239
121 HD21 ASN 12 HD21 ASN 12 47.061 12.453 4.131
122 HD22 ASN 12 HD22 ASN 12 48.103 13.130 5.387
123 H GLU 13 HN GLU 13 48.950 11.873 1.369
124 HA GLU 13 HA GLU 13 48.721 13.686 -0.346
125 HB2 GLU 13 HB2 GLU 13 47.850 14.940 2.316
126 HB3 GLU 13 HB1 GLU 13 48.973 15.883 1.329
127 HG2 GLU 13 HG2 GLU 13 47.424 15.733 -0.600
128 HG3 GLU 13 HG1 GLU 13 46.293 14.773 0.384
129 H ILE 14 HN ILE 14 50.388 11.872 -0.212
130 HA ILE 14 HA ILE 14 52.940 13.218 0.425
131 HB ILE 14 HB ILE 14 52.047 12.826 2.909
132 HG12 ILE 14 HG12 ILE 14 54.813 11.861 2.066
133 HG13 ILE 14 HG11 ILE 14 54.337 13.562 2.289
134 HG21 ILE 14 HG21 ILE 14 52.074 10.712 3.841
135 HG22 ILE 14 HG22 ILE 14 53.346 10.116 2.754
136 HG23 ILE 14 HG23 ILE 14 51.675 10.242 2.181
137 HD11 ILE 14 HD1 ILE 14 53.638 12.907 4.674
138 HD12 ILE 14 HD2 ILE 14 55.386 12.913 4.340
139 HD13 ILE 14 HD3 ILE 14 54.496 11.373 4.396
140 H LYS 15 HN LYS 15 51.477 11.929 -1.297
141 HA LYS 15 HA LYS 15 53.031 9.626 -2.154
142 HB2 LYS 15 HB2 LYS 15 50.509 10.086 -0.907
143 HB3 LYS 15 HB1 LYS 15 50.466 8.776 -2.171
144 HG2 LYS 15 HG2 LYS 15 51.974 8.692 0.480
145 HG3 LYS 15 HG1 LYS 15 50.749 7.603 -0.138
146 HD2 LYS 15 HD2 LYS 15 53.646 7.805 -1.027
147 HD3 LYS 15 HD1 LYS 15 52.789 6.413 -0.354
148 HE2 LYS 15 HE2 LYS 15 51.247 6.553 -2.427
149 HE3 LYS 15 HE1 LYS 15 52.487 7.613 -3.128
150 HZ1 LYS 15 HZ1 LYS 15 52.875 4.836 -2.142
151 HZ2 LYS 15 HZ2 LYS 15 54.128 5.853 -2.669
152 HZ3 LYS 15 HZ3 LYS 15 52.920 5.356 -3.754
153 H LYS 16 HN LYS 16 50.812 11.856 -2.151
154 HA LYS 16 HA LYS 16 50.061 11.929 -5.037
155 HB2 LYS 16 HB2 LYS 16 48.447 11.065 -3.497
156 HB3 LYS 16 HB1 LYS 16 49.212 12.259 -2.354
157 HG2 LYS 16 HG2 LYS 16 47.070 13.313 -2.880
158 HG3 LYS 16 HG1 LYS 16 48.133 14.060 -4.076
159 HD2 LYS 16 HD2 LYS 16 47.417 12.466 -5.788
160 HD3 LYS 16 HD1 LYS 16 46.436 11.582 -4.597
161 HE2 LYS 16 HE2 LYS 16 45.126 13.701 -4.197
162 HE3 LYS 16 HE1 LYS 16 46.027 14.453 -5.535
163 HZ1 LYS 16 HZ1 LYS 16 44.824 13.352 -7.037
164 HZ2 LYS 16 HZ2 LYS 16 43.733 13.019 -5.779
165 HZ3 LYS 16 HZ3 LYS 16 44.921 11.880 -6.201
166 H LYS 17 HN LYS 17 50.737 12.751 -1.739
167 HA LYS 17 HA LYS 17 51.487 15.618 -2.864
168 HB2 LYS 17 HB2 LYS 17 50.223 15.502 -0.521
169 HB3 LYS 17 HB1 LYS 17 51.865 15.148 0.050
170 HG2 LYS 17 HG2 LYS 17 52.661 17.172 -1.172
171 HG3 LYS 17 HG1 LYS 17 50.965 17.555 -1.551
172 HD2 LYS 17 HD2 LYS 17 50.421 17.704 0.831
173 HD3 LYS 17 HD1 LYS 17 52.071 17.200 1.268
174 HE2 LYS 17 HE2 LYS 17 52.925 19.228 -0.006
175 HE3 LYS 17 HE1 LYS 17 51.234 19.763 -0.146
176 HZ1 LYS 17 HZ1 LYS 17 52.135 20.792 1.767
177 HZ2 LYS 17 HZ2 LYS 17 52.810 19.342 2.338
178 HZ3 LYS 17 HZ3 LYS 17 51.124 19.555 2.335
179 H TRP 18 HN TRP 18 51.858 12.578 -3.128
180 HA TRP 18 HA TRP 18 54.823 13.204 -3.400
181 HB2 TRP 18 HB2 TRP 18 54.656 12.381 -0.922
182 HB3 TRP 18 HB1 TRP 18 54.638 10.775 -1.657
183 HD1 TRP 18 HD1 TRP 18 56.802 10.090 -3.118
184 HE1 TRP 18 HE1 TRP 18 59.280 10.851 -2.934
185 HE3 TRP 18 HE3 TRP 18 56.141 14.335 -0.335
186 HZ2 TRP 18 HZ2 TRP 18 60.747 13.018 -1.735
187 HZ3 TRP 18 HZ3 TRP 18 58.095 15.731 0.323
188 HH2 TRP 18 HH2 TRP 18 60.396 15.076 -0.373
189 H ARG 19 HN ARG 19 52.260 12.365 -4.767
190 HA ARG 19 HA ARG 19 53.380 10.026 -6.102
191 HB2 ARG 19 HB2 ARG 19 50.762 10.037 -5.923
192 HB3 ARG 19 HB1 ARG 19 50.866 11.289 -7.157
193 HG2 ARG 19 HG2 ARG 19 51.873 9.753 -8.724
194 HG3 ARG 19 HG1 ARG 19 52.143 8.541 -7.454
195 HD2 ARG 19 HD2 ARG 19 50.180 7.954 -8.838
196 HD3 ARG 19 HD1 ARG 19 49.692 8.306 -7.163
197 HE ARG 19 HE ARG 19 49.461 10.742 -8.535
198 HH11 ARG 19 HH11 ARG 19 47.035 9.894 -7.350
199 HH12 ARG 19 HH12 ARG 19 46.049 9.341 -8.664
200 HH21 ARG 19 HH21 ARG 19 48.708 9.013 -10.866
201 HH22 ARG 19 HH22 ARG 19 46.997 8.845 -10.656
202 H LYS 20 HN LYS 20 54.644 12.211 -5.731
203 HA LYS 20 HA LYS 20 56.105 13.322 -7.446
204 HB2 LYS 20 HB2 LYS 20 53.417 13.766 -8.343
205 HB3 LYS 20 HB1 LYS 20 54.855 14.749 -8.876
206 HG2 LYS 20 HG2 LYS 20 55.038 11.754 -9.347
207 HG3 LYS 20 HG1 LYS 20 53.940 12.654 -10.417
208 HD2 LYS 20 HD2 LYS 20 55.730 14.116 -11.145
209 HD3 LYS 20 HD1 LYS 20 56.838 13.455 -9.919
210 HE2 LYS 20 HE2 LYS 20 57.354 12.432 -12.076
211 HE3 LYS 20 HE1 LYS 20 56.624 11.201 -11.019
212 HZ1 LYS 20 HZ1 LYS 20 54.847 11.031 -12.339
213 HZ2 LYS 20 HZ2 LYS 20 55.785 11.818 -13.517
214 HZ3 LYS 20 HZ3 LYS 20 54.704 12.707 -12.555
215 H ALA 21 HN ALA 21 54.307 13.329 -5.111
216 HA ALA 21 HA ALA 21 53.656 15.014 -4.079
217 HB1 ALA 21 HB1 ALA 21 55.789 16.360 -4.602
218 HB2 ALA 21 HB2 ALA 21 54.510 17.076 -3.619
219 HB3 ALA 21 HB3 ALA 21 54.526 17.340 -5.367
220 H VAL 22 HN VAL 22 52.662 13.262 -5.699
221 HA VAL 22 HA VAL 22 51.480 13.451 -7.654
222 HB VAL 22 HB VAL 22 49.403 13.716 -6.055
223 HG11 VAL 22 HG11 VAL 22 48.307 15.770 -5.876
224 HG12 VAL 22 HG12 VAL 22 49.107 16.434 -7.315
225 HG13 VAL 22 HG13 VAL 22 50.009 16.267 -5.795
226 HG21 VAL 22 HG21 VAL 22 49.319 13.015 -8.465
227 HG22 VAL 22 HG22 VAL 22 49.029 14.716 -8.887
228 HG23 VAL 22 HG23 VAL 22 47.865 13.845 -7.872
229 H ILE 23 HN ILE 23 53.579 15.419 -6.814
230 HA ILE 23 HA ILE 23 53.040 17.053 -9.512
231 HB ILE 23 HB ILE 23 53.225 18.607 -6.873
232 HG12 ILE 23 HG12 ILE 23 51.043 18.335 -8.998
233 HG13 ILE 23 HG11 ILE 23 50.949 17.839 -7.301
234 HG21 ILE 23 HG21 ILE 23 54.564 19.637 -8.804
235 HG22 ILE 23 HG22 ILE 23 53.243 20.644 -8.221
236 HG23 ILE 23 HG23 ILE 23 53.046 19.711 -9.721
237 HD11 ILE 23 HD1 ILE 23 51.417 20.354 -6.760
238 HD12 ILE 23 HD2 ILE 23 49.787 19.880 -7.295
239 HD13 ILE 23 HD3 ILE 23 50.914 20.635 -8.446
240 H ALA 24 HN ALA 24 55.116 16.660 -6.644
241 HA ALA 24 HA ALA 24 57.395 16.903 -8.319
242 HB1 ALA 24 HB1 ALA 24 58.397 18.408 -6.648
243 HB2 ALA 24 HB2 ALA 24 56.825 18.140 -5.812
244 HB3 ALA 24 HB3 ALA 24 56.878 19.052 -7.351
245 H TRP 25 HN TRP 25 55.926 15.480 -6.477
246 HA TRP 25 HA TRP 25 56.528 13.365 -5.150
247 HB2 TRP 25 HB2 TRP 25 58.430 13.349 -7.057
248 HB3 TRP 25 HB1 TRP 25 59.483 13.732 -5.686
249 HD1 TRP 25 HD1 TRP 25 56.540 11.227 -6.175
250 HE1 TRP 25 HE1 TRP 25 57.271 8.901 -5.276
251 HE3 TRP 25 HE3 TRP 25 61.299 12.395 -4.694
252 HZ2 TRP 25 HZ2 TRP 25 59.615 7.736 -4.082
253 HZ3 TRP 25 HZ3 TRP 25 62.767 10.658 -3.679
254 HH2 TRP 25 HH2 TRP 25 61.931 8.332 -3.371
Start of MODEL 4
1 H1 ALA 1 HT1 ALA 1 43.704 4.054 12.399
2 H2 ALA 1 HT2 ALA 1 44.614 4.374 13.799
3 H3 ALA 1 HT3 ALA 1 45.397 4.006 12.337
4 HA ALA 1 HA ALA 1 43.930 6.076 11.588
5 HB1 ALA 1 HB1 ALA 1 43.213 6.308 14.004
6 HB2 ALA 1 HB2 ALA 1 43.974 7.755 13.298
7 HB3 ALA 1 HB3 ALA 1 44.904 6.703 14.392
8 H GLY 2 HN GLY 2 46.168 4.693 10.810
9 HA2 GLY 2 HA1 GLY 2 47.999 6.841 10.286
10 HA3 GLY 2 HA2 GLY 2 48.667 5.777 11.539
11 H LYS 3 HN LYS 3 47.532 3.326 10.600
12 HA LYS 3 HA LYS 3 49.556 2.601 8.682
13 HB2 LYS 3 HB2 LYS 3 47.087 1.228 9.794
14 HB3 LYS 3 HB1 LYS 3 48.060 0.463 8.516
15 HG2 LYS 3 HG2 LYS 3 48.745 -0.255 10.813
16 HG3 LYS 3 HG1 LYS 3 50.060 0.549 9.924
17 HD2 LYS 3 HD2 LYS 3 49.804 2.579 11.159
18 HD3 LYS 3 HD1 LYS 3 48.224 2.077 11.813
19 HE2 LYS 3 HE2 LYS 3 49.984 1.840 13.527
20 HE3 LYS 3 HE1 LYS 3 49.343 0.244 13.069
21 HZ1 LYS 3 HZ1 LYS 3 51.982 1.092 12.976
22 HZ2 LYS 3 HZ2 LYS 3 51.478 0.971 11.357
23 HZ3 LYS 3 HZ3 LYS 3 51.348 -0.370 12.393
24 H GLU 4 HN GLU 4 46.087 3.374 8.434
25 HA GLU 4 HA GLU 4 46.453 3.831 5.509
26 HB2 GLU 4 HB2 GLU 4 44.317 1.986 6.659
27 HB3 GLU 4 HB1 GLU 4 44.437 2.513 4.964
28 HG2 GLU 4 HG2 GLU 4 46.787 1.515 4.938
29 HG3 GLU 4 HG1 GLU 4 46.412 0.796 6.524
30 H LYS 5 HN LYS 5 46.310 6.021 6.479
31 HA LYS 5 HA LYS 5 43.590 7.006 6.196
32 HB2 LYS 5 HB2 LYS 5 43.609 6.116 8.574
33 HB3 LYS 5 HB1 LYS 5 44.851 7.334 8.943
34 HG2 LYS 5 HG2 LYS 5 43.282 9.117 8.123
35 HG3 LYS 5 HG1 LYS 5 42.032 7.867 7.908
36 HD2 LYS 5 HD2 LYS 5 42.286 7.275 10.343
37 HD3 LYS 5 HD1 LYS 5 43.398 8.654 10.518
38 HE2 LYS 5 HE2 LYS 5 41.568 10.150 9.620
39 HE3 LYS 5 HE1 LYS 5 40.468 8.752 9.686
40 HZ1 LYS 5 HZ1 LYS 5 40.106 9.362 11.783
41 HZ2 LYS 5 HZ2 LYS 5 41.430 10.426 11.811
42 HZ3 LYS 5 HZ3 LYS 5 41.658 8.775 12.139
43 H ILE 6 HN ILE 6 46.815 7.688 7.617
44 HA ILE 6 HA ILE 6 47.107 10.002 5.800
45 HB ILE 6 HB ILE 6 47.807 11.438 7.910
46 HG12 ILE 6 HG12 ILE 6 45.806 9.495 9.164
47 HG13 ILE 6 HG11 ILE 6 47.552 9.469 9.482
48 HG21 ILE 6 HG21 ILE 6 44.834 10.889 7.509
49 HG22 ILE 6 HG22 ILE 6 45.814 11.843 6.370
50 HG23 ILE 6 HG23 ILE 6 45.596 12.403 8.041
51 HD11 ILE 6 HD1 ILE 6 46.699 10.751 11.275
52 HD12 ILE 6 HD2 ILE 6 45.517 11.586 10.242
53 HD13 ILE 6 HD3 ILE 6 47.246 11.995 10.127
54 H ARG 7 HN ARG 7 48.817 8.796 4.901
55 HA ARG 7 HA ARG 7 51.399 9.316 6.030
56 HB2 ARG 7 HB2 ARG 7 50.918 7.613 7.745
57 HB3 ARG 7 HB1 ARG 7 50.370 6.472 6.497
58 HG2 ARG 7 HG2 ARG 7 52.595 6.300 5.567
59 HG3 ARG 7 HG1 ARG 7 53.179 7.651 6.569
60 HD2 ARG 7 HD2 ARG 7 52.144 4.990 7.645
61 HD3 ARG 7 HD1 ARG 7 53.862 5.433 7.488
62 HE ARG 7 HE ARG 7 52.434 7.426 9.020
63 HH11 ARG 7 HH11 ARG 7 52.509 7.311 11.287
64 HH12 ARG 7 HH12 ARG 7 53.334 5.987 12.038
65 HH21 ARG 7 HH21 ARG 7 54.038 4.382 9.047
66 HH22 ARG 7 HH22 ARG 7 54.200 4.328 10.770
67 H LYS 8 HN LYS 8 49.078 7.827 4.210
68 HA LYS 8 HA LYS 8 49.465 8.191 1.754
69 HB2 LYS 8 HB2 LYS 8 50.943 6.697 0.611
70 HB3 LYS 8 HB1 LYS 8 51.863 7.773 1.676
71 HG2 LYS 8 HG2 LYS 8 51.538 5.668 3.398
72 HG3 LYS 8 HG1 LYS 8 51.458 4.783 1.861
73 HD2 LYS 8 HD2 LYS 8 53.616 5.934 1.182
74 HD3 LYS 8 HD1 LYS 8 53.730 6.554 2.846
75 HE2 LYS 8 HE2 LYS 8 53.564 3.614 2.050
76 HE3 LYS 8 HE1 LYS 8 55.029 4.464 2.597
77 HZ1 LYS 8 HZ1 LYS 8 54.170 3.419 4.491
78 HZ2 LYS 8 HZ2 LYS 8 52.568 3.860 4.139
79 HZ3 LYS 8 HZ3 LYS 8 53.681 5.036 4.650
80 H LYS 9 HN LYS 9 47.364 7.528 2.702
81 HA LYS 9 HA LYS 9 46.733 4.710 2.816
82 HB2 LYS 9 HB2 LYS 9 45.273 6.493 3.776
83 HB3 LYS 9 HB1 LYS 9 44.959 7.087 2.129
84 HG2 LYS 9 HG2 LYS 9 43.722 5.153 1.529
85 HG3 LYS 9 HG1 LYS 9 44.397 4.189 2.864
86 HD2 LYS 9 HD2 LYS 9 43.100 5.376 4.501
87 HD3 LYS 9 HD1 LYS 9 42.647 6.636 3.329
88 HE2 LYS 9 HE2 LYS 9 40.799 4.995 3.734
89 HE3 LYS 9 HE1 LYS 9 41.333 5.017 2.036
90 HZ1 LYS 9 HZ1 LYS 9 42.569 3.133 3.942
91 HZ2 LYS 9 HZ2 LYS 9 42.397 3.004 2.257
92 HZ3 LYS 9 HZ3 LYS 9 41.054 2.771 3.270
93 H LEU 10 HN LEU 10 48.022 6.547 0.622
94 HA LEU 10 HA LEU 10 48.669 5.613 -1.528
95 HB2 LEU 10 HB2 LEU 10 46.664 4.016 -1.638
96 HB3 LEU 10 HB1 LEU 10 45.662 5.431 -2.041
97 HG LEU 10 HG LEU 10 47.575 5.792 -3.920
98 HD11 LEU 10 HD11 LEU 10 48.528 3.750 -4.750
99 HD12 LEU 10 HD12 LEU 10 47.563 2.763 -3.626
100 HD13 LEU 10 HD13 LEU 10 48.875 3.792 -3.005
101 HD21 LEU 10 HD21 LEU 10 45.298 3.767 -4.046
102 HD22 LEU 10 HD22 LEU 10 46.188 4.349 -5.475
103 HD23 LEU 10 HD23 LEU 10 45.236 5.488 -4.494
104 H LYS 11 HN LYS 11 48.575 8.008 -0.042
105 HA LYS 11 HA LYS 11 48.798 10.142 -1.638
106 HB2 LYS 11 HB2 LYS 11 46.621 11.247 -2.021
107 HB3 LYS 11 HB1 LYS 11 46.646 9.738 -2.931
108 HG2 LYS 11 HG2 LYS 11 45.490 8.711 -0.790
109 HG3 LYS 11 HG1 LYS 11 45.172 10.402 -0.357
110 HD2 LYS 11 HD2 LYS 11 44.081 10.724 -2.597
111 HD3 LYS 11 HD1 LYS 11 44.298 8.985 -2.912
112 HE2 LYS 11 HE2 LYS 11 42.693 10.235 -0.641
113 HE3 LYS 11 HE1 LYS 11 42.041 9.359 -2.047
114 HZ1 LYS 11 HZ1 LYS 11 42.114 7.828 -0.275
115 HZ2 LYS 11 HZ2 LYS 11 43.687 8.280 0.179
116 HZ3 LYS 11 HZ3 LYS 11 43.429 7.427 -1.267
117 H ASN 12 HN ASN 12 46.431 9.383 1.052
118 HA ASN 12 HA ASN 12 46.421 10.719 3.057
119 HB2 ASN 12 HB2 ASN 12 48.657 9.696 3.326
120 HB3 ASN 12 HB1 ASN 12 49.419 10.865 2.166
121 HD21 ASN 12 HD21 ASN 12 48.766 13.331 2.972
122 HD22 ASN 12 HD22 ASN 12 49.079 13.605 4.686
123 H GLU 13 HN GLU 13 48.888 11.888 1.295
124 HA GLU 13 HA GLU 13 48.709 13.744 -0.358
125 HB2 GLU 13 HB2 GLU 13 47.799 14.939 2.325
126 HB3 GLU 13 HB1 GLU 13 48.913 15.905 1.345
127 HG2 GLU 13 HG2 GLU 13 47.375 15.849 -0.555
128 HG3 GLU 13 HG1 GLU 13 46.287 14.744 0.318
129 H ILE 14 HN ILE 14 50.359 11.886 -0.210
130 HA ILE 14 HA ILE 14 52.897 13.215 0.619
131 HB ILE 14 HB ILE 14 51.817 12.697 3.013
132 HG12 ILE 14 HG12 ILE 14 54.655 11.811 2.335
133 HG13 ILE 14 HG11 ILE 14 54.136 13.492 2.596
134 HG21 ILE 14 HG21 ILE 14 51.780 10.539 3.828
135 HG22 ILE 14 HG22 ILE 14 53.174 10.020 2.855
136 HG23 ILE 14 HG23 ILE 14 51.568 10.125 2.116
137 HD11 ILE 14 HD1 ILE 14 55.030 12.790 4.693
138 HD12 ILE 14 HD2 ILE 14 54.205 11.216 4.611
139 HD13 ILE 14 HD3 ILE 14 53.265 12.701 4.895
140 H LYS 15 HN LYS 15 51.453 11.937 -1.215
141 HA LYS 15 HA LYS 15 53.087 9.675 -2.064
142 HB2 LYS 15 HB2 LYS 15 51.620 8.952 -0.310
143 HB3 LYS 15 HB1 LYS 15 50.396 10.081 -1.056
144 HG2 LYS 15 HG2 LYS 15 50.082 7.462 -1.415
145 HG3 LYS 15 HG1 LYS 15 50.074 8.421 -2.904
146 HD2 LYS 15 HD2 LYS 15 52.354 7.768 -3.400
147 HD3 LYS 15 HD1 LYS 15 52.590 7.122 -1.765
148 HE2 LYS 15 HE2 LYS 15 50.486 5.997 -3.650
149 HE3 LYS 15 HE1 LYS 15 52.165 5.408 -3.643
150 HZ1 LYS 15 HZ1 LYS 15 50.690 5.622 -1.100
151 HZ2 LYS 15 HZ2 LYS 15 51.958 4.575 -1.528
152 HZ3 LYS 15 HZ3 LYS 15 50.390 4.303 -2.123
153 H LYS 16 HN LYS 16 50.838 11.901 -2.105
154 HA LYS 16 HA LYS 16 50.100 11.936 -5.003
155 HB2 LYS 16 HB2 LYS 16 48.463 11.098 -3.506
156 HB3 LYS 16 HB1 LYS 16 49.239 12.257 -2.329
157 HG2 LYS 16 HG2 LYS 16 47.154 13.394 -2.799
158 HG3 LYS 16 HG1 LYS 16 48.168 14.086 -4.071
159 HD2 LYS 16 HD2 LYS 16 47.357 12.333 -5.651
160 HD3 LYS 16 HD1 LYS 16 46.288 11.708 -4.373
161 HE2 LYS 16 HE2 LYS 16 45.154 13.906 -4.241
162 HE3 LYS 16 HE1 LYS 16 46.225 14.538 -5.515
163 HZ1 LYS 16 HZ1 LYS 16 44.188 13.842 -6.513
164 HZ2 LYS 16 HZ2 LYS 16 44.251 12.322 -5.757
165 HZ3 LYS 16 HZ3 LYS 16 45.380 12.722 -6.961
166 H LYS 17 HN LYS 17 50.730 12.773 -1.713
167 HA LYS 17 HA LYS 17 51.481 15.654 -2.814
168 HB2 LYS 17 HB2 LYS 17 50.217 15.541 -0.485
169 HB3 LYS 17 HB1 LYS 17 51.835 15.112 0.102
170 HG2 LYS 17 HG2 LYS 17 52.715 17.131 -1.110
171 HG3 LYS 17 HG1 LYS 17 51.026 17.599 -1.420
172 HD2 LYS 17 HD2 LYS 17 50.577 17.618 1.016
173 HD3 LYS 17 HD1 LYS 17 52.264 17.144 1.332
174 HE2 LYS 17 HE2 LYS 17 52.141 19.541 1.599
175 HE3 LYS 17 HE1 LYS 17 52.985 19.228 0.064
176 HZ1 LYS 17 HZ1 LYS 17 50.280 19.293 -0.528
177 HZ2 LYS 17 HZ2 LYS 17 51.448 20.464 -0.917
178 HZ3 LYS 17 HZ3 LYS 17 50.544 20.604 0.514
179 H TRP 18 HN TRP 18 51.886 12.599 -3.090
180 HA TRP 18 HA TRP 18 54.861 13.239 -3.327
181 HB2 TRP 18 HB2 TRP 18 54.577 12.433 -0.834
182 HB3 TRP 18 HB1 TRP 18 54.643 10.830 -1.561
183 HD1 TRP 18 HD1 TRP 18 56.912 10.346 -3.091
184 HE1 TRP 18 HE1 TRP 18 59.351 11.102 -2.638
185 HE3 TRP 18 HE3 TRP 18 55.973 14.195 0.151
186 HZ2 TRP 18 HZ2 TRP 18 60.688 13.108 -1.066
187 HZ3 TRP 18 HZ3 TRP 18 57.851 15.512 1.122
188 HH2 TRP 18 HH2 TRP 18 60.206 14.971 0.518
189 H ARG 19 HN ARG 19 52.337 12.399 -4.719
190 HA ARG 19 HA ARG 19 53.477 10.059 -6.047
191 HB2 ARG 19 HB2 ARG 19 50.852 9.996 -5.859
192 HB3 ARG 19 HB1 ARG 19 50.920 11.279 -7.063
193 HG2 ARG 19 HG2 ARG 19 52.393 9.631 -8.435
194 HG3 ARG 19 HG1 ARG 19 51.826 8.392 -7.297
195 HD2 ARG 19 HD2 ARG 19 50.357 8.405 -9.246
196 HD3 ARG 19 HD1 ARG 19 49.460 9.038 -7.844
197 HE ARG 19 HE ARG 19 50.645 11.250 -9.189
198 HH11 ARG 19 HH11 ARG 19 48.433 8.689 -9.836
199 HH12 ARG 19 HH12 ARG 19 47.400 9.656 -10.836
200 HH21 ARG 19 HH21 ARG 19 49.254 12.555 -10.409
201 HH22 ARG 19 HH22 ARG 19 47.865 11.845 -11.160
202 H LYS 20 HN LYS 20 54.835 12.147 -5.720
203 HA LYS 20 HA LYS 20 56.189 13.381 -7.416
204 HB2 LYS 20 HB2 LYS 20 53.579 13.899 -8.223
205 HB3 LYS 20 HB1 LYS 20 54.976 14.667 -9.042
206 HG2 LYS 20 HG2 LYS 20 54.951 11.639 -9.229
207 HG3 LYS 20 HG1 LYS 20 53.753 12.496 -10.234
208 HD2 LYS 20 HD2 LYS 20 55.563 13.874 -11.204
209 HD3 LYS 20 HD1 LYS 20 56.755 13.021 -10.195
210 HE2 LYS 20 HE2 LYS 20 54.901 11.610 -12.157
211 HE3 LYS 20 HE1 LYS 20 56.549 12.137 -12.570
212 HZ1 LYS 20 HZ1 LYS 20 57.465 10.525 -11.321
213 HZ2 LYS 20 HZ2 LYS 20 55.965 9.752 -11.523
214 HZ3 LYS 20 HZ3 LYS 20 56.292 10.624 -10.101
215 H ALA 21 HN ALA 21 54.385 13.322 -5.089
216 HA ALA 21 HA ALA 21 53.589 14.957 -4.072
217 HB1 ALA 21 HB1 ALA 21 54.433 16.999 -3.501
218 HB2 ALA 21 HB2 ALA 21 54.521 17.339 -5.234
219 HB3 ALA 21 HB3 ALA 21 55.758 16.330 -4.459
220 H VAL 22 HN VAL 22 52.676 13.276 -5.666
221 HA VAL 22 HA VAL 22 51.469 13.445 -7.651
222 HB VAL 22 HB VAL 22 49.418 13.708 -6.033
223 HG11 VAL 22 HG11 VAL 22 48.333 15.763 -5.823
224 HG12 VAL 22 HG12 VAL 22 49.102 16.430 -7.279
225 HG13 VAL 22 HG13 VAL 22 50.036 16.262 -5.777
226 HG21 VAL 22 HG21 VAL 22 49.010 14.720 -8.855
227 HG22 VAL 22 HG22 VAL 22 47.859 13.845 -7.830
228 HG23 VAL 22 HG23 VAL 22 49.306 13.019 -8.446
229 H ILE 23 HN ILE 23 53.581 15.389 -6.806
230 HA ILE 23 HA ILE 23 53.053 17.007 -9.521
231 HB ILE 23 HB ILE 23 53.230 18.600 -6.904
232 HG12 ILE 23 HG12 ILE 23 51.025 18.299 -9.003
233 HG13 ILE 23 HG11 ILE 23 50.948 17.823 -7.299
234 HG21 ILE 23 HG21 ILE 23 52.992 19.668 -9.761
235 HG22 ILE 23 HG22 ILE 23 54.540 19.582 -8.895
236 HG23 ILE 23 HG23 ILE 23 53.249 20.610 -8.277
237 HD11 ILE 23 HD1 ILE 23 50.912 20.603 -8.479
238 HD12 ILE 23 HD2 ILE 23 51.428 20.342 -6.794
239 HD13 ILE 23 HD3 ILE 23 49.792 19.869 -7.309
240 H ALA 24 HN ALA 24 55.026 16.767 -6.571
241 HA ALA 24 HA ALA 24 57.362 16.999 -8.176
242 HB1 ALA 24 HB1 ALA 24 56.702 18.142 -5.661
243 HB2 ALA 24 HB2 ALA 24 56.748 19.105 -7.173
244 HB3 ALA 24 HB3 ALA 24 58.270 18.493 -6.452
245 H TRP 25 HN TRP 25 55.894 15.473 -6.415
246 HA TRP 25 HA TRP 25 56.551 13.424 -5.047
247 HB2 TRP 25 HB2 TRP 25 58.394 12.231 -5.759
248 HB3 TRP 25 HB1 TRP 25 58.422 13.441 -7.049
249 HD1 TRP 25 HD1 TRP 25 59.983 12.967 -3.527
250 HE1 TRP 25 HE1 TRP 25 62.388 13.940 -3.537
251 HE3 TRP 25 HE3 TRP 25 60.085 14.779 -8.304
252 HZ2 TRP 25 HZ2 TRP 25 64.105 15.310 -5.396
253 HZ3 TRP 25 HZ3 TRP 25 62.121 15.912 -9.181
254 HH2 TRP 25 HH2 TRP 25 64.131 16.178 -7.732
Start of MODEL 5
1 H1 ALA 1 HT1 ALA 1 46.292 0.773 13.394
2 H2 ALA 1 HT2 ALA 1 46.993 1.089 11.879
3 H3 ALA 1 HT3 ALA 1 45.327 0.784 12.001
4 HA ALA 1 HA ALA 1 44.988 2.919 12.120
5 HB1 ALA 1 HB1 ALA 1 45.584 4.028 14.263
6 HB2 ALA 1 HB2 ALA 1 46.599 2.626 14.678
7 HB3 ALA 1 HB3 ALA 1 44.839 2.430 14.503
8 H GLY 2 HN GLY 2 45.753 4.581 10.996
9 HA2 GLY 2 HA1 GLY 2 47.281 6.217 10.313
10 HA3 GLY 2 HA2 GLY 2 48.519 5.507 11.367
11 H LYS 3 HN LYS 3 48.252 2.806 10.315
12 HA LYS 3 HA LYS 3 50.135 3.032 8.148
13 HB2 LYS 3 HB2 LYS 3 49.733 0.552 7.912
14 HB3 LYS 3 HB1 LYS 3 50.164 1.072 9.559
15 HG2 LYS 3 HG2 LYS 3 47.815 1.028 10.239
16 HG3 LYS 3 HG1 LYS 3 47.308 0.646 8.575
17 HD2 LYS 3 HD2 LYS 3 48.499 -1.490 8.657
18 HD3 LYS 3 HD1 LYS 3 49.141 -1.103 10.272
19 HE2 LYS 3 HE2 LYS 3 46.824 -1.013 11.164
20 HE3 LYS 3 HE1 LYS 3 46.195 -1.431 9.552
21 HZ1 LYS 3 HZ1 LYS 3 46.607 -3.284 11.301
22 HZ2 LYS 3 HZ2 LYS 3 48.230 -3.149 10.816
23 HZ3 LYS 3 HZ3 LYS 3 47.032 -3.552 9.681
24 H GLU 4 HN GLU 4 46.863 3.637 8.195
25 HA GLU 4 HA GLU 4 46.724 3.677 5.284
26 HB2 GLU 4 HB2 GLU 4 46.281 1.244 5.816
27 HB3 GLU 4 HB1 GLU 4 44.839 1.769 6.717
28 HG2 GLU 4 HG2 GLU 4 43.949 2.853 4.678
29 HG3 GLU 4 HG1 GLU 4 45.398 2.349 3.773
30 H LYS 5 HN LYS 5 46.483 5.891 6.277
31 HA LYS 5 HA LYS 5 43.697 6.648 6.143
32 HB2 LYS 5 HB2 LYS 5 43.881 5.674 8.498
33 HB3 LYS 5 HB1 LYS 5 44.979 7.022 8.875
34 HG2 LYS 5 HG2 LYS 5 43.211 8.639 8.199
35 HG3 LYS 5 HG1 LYS 5 42.111 7.278 7.865
36 HD2 LYS 5 HD2 LYS 5 42.294 6.548 10.226
37 HD3 LYS 5 HD1 LYS 5 43.385 7.913 10.563
38 HE2 LYS 5 HE2 LYS 5 40.580 8.275 9.437
39 HE3 LYS 5 HE1 LYS 5 40.936 8.292 11.180
40 HZ1 LYS 5 HZ1 LYS 5 42.797 9.952 9.950
41 HZ2 LYS 5 HZ2 LYS 5 41.510 10.405 10.963
42 HZ3 LYS 5 HZ3 LYS 5 41.292 10.353 9.278
43 H ILE 6 HN ILE 6 46.868 7.550 7.551
44 HA ILE 6 HA ILE 6 46.988 9.903 5.779
45 HB ILE 6 HB ILE 6 47.661 11.241 8.092
46 HG12 ILE 6 HG12 ILE 6 45.906 10.769 9.793
47 HG13 ILE 6 HG11 ILE 6 45.374 9.359 8.855
48 HG21 ILE 6 HG21 ILE 6 46.077 12.016 6.330
49 HG22 ILE 6 HG22 ILE 6 45.468 12.336 7.971
50 HG23 ILE 6 HG23 ILE 6 44.814 10.976 7.029
51 HD11 ILE 6 HD1 ILE 6 48.177 9.752 9.999
52 HD12 ILE 6 HD2 ILE 6 47.587 8.309 9.137
53 HD13 ILE 6 HD3 ILE 6 46.909 8.738 10.724
54 H ARG 7 HN ARG 7 48.734 8.702 4.903
55 HA ARG 7 HA ARG 7 51.288 9.404 6.004
56 HB2 ARG 7 HB2 ARG 7 50.220 7.194 7.398
57 HB3 ARG 7 HB1 ARG 7 51.210 6.414 6.153
58 HG2 ARG 7 HG2 ARG 7 52.220 8.617 8.013
59 HG3 ARG 7 HG1 ARG 7 52.444 6.877 8.300
60 HD2 ARG 7 HD2 ARG 7 53.624 6.683 6.115
61 HD3 ARG 7 HD1 ARG 7 53.445 8.437 5.877
62 HE ARG 7 HE ARG 7 54.688 8.078 8.393
63 HH11 ARG 7 HH11 ARG 7 55.243 7.974 5.013
64 HH12 ARG 7 HH12 ARG 7 56.963 7.843 5.155
65 HH21 ARG 7 HH21 ARG 7 56.928 7.663 8.618
66 HH22 ARG 7 HH22 ARG 7 57.918 7.667 7.197
67 H LYS 8 HN LYS 8 49.052 7.770 4.196
68 HA LYS 8 HA LYS 8 49.456 8.241 1.720
69 HB2 LYS 8 HB2 LYS 8 50.919 6.721 0.590
70 HB3 LYS 8 HB1 LYS 8 51.840 7.794 1.655
71 HG2 LYS 8 HG2 LYS 8 51.461 5.711 3.395
72 HG3 LYS 8 HG1 LYS 8 51.413 4.813 1.862
73 HD2 LYS 8 HD2 LYS 8 53.603 5.738 1.221
74 HD3 LYS 8 HD1 LYS 8 53.654 6.695 2.722
75 HE2 LYS 8 HE2 LYS 8 53.450 3.654 2.618
76 HE3 LYS 8 HE1 LYS 8 54.962 4.557 2.881
77 HZ1 LYS 8 HZ1 LYS 8 54.426 4.895 4.997
78 HZ2 LYS 8 HZ2 LYS 8 53.148 3.792 4.799
79 HZ3 LYS 8 HZ3 LYS 8 52.873 5.457 4.608
80 H LYS 9 HN LYS 9 47.356 7.481 2.881
81 HA LYS 9 HA LYS 9 46.719 4.718 2.952
82 HB2 LYS 9 HB2 LYS 9 45.140 6.392 3.772
83 HB3 LYS 9 HB1 LYS 9 45.006 7.095 2.142
84 HG2 LYS 9 HG2 LYS 9 43.925 5.126 1.280
85 HG3 LYS 9 HG1 LYS 9 44.300 4.196 2.750
86 HD2 LYS 9 HD2 LYS 9 42.863 5.752 4.072
87 HD3 LYS 9 HD1 LYS 9 42.444 6.610 2.570
88 HE2 LYS 9 HE2 LYS 9 41.376 4.646 1.652
89 HE3 LYS 9 HE1 LYS 9 41.988 3.627 2.977
90 HZ1 LYS 9 HZ1 LYS 9 40.468 5.943 3.822
91 HZ2 LYS 9 HZ2 LYS 9 40.392 4.334 4.360
92 HZ3 LYS 9 HZ3 LYS 9 39.570 4.800 2.947
93 H LEU 10 HN LEU 10 47.665 6.803 0.638
94 HA LEU 10 HA LEU 10 48.515 5.641 -1.464
95 HB2 LEU 10 HB2 LEU 10 45.505 5.161 -1.566
96 HB3 LEU 10 HB1 LEU 10 46.399 5.421 -3.072
97 HG LEU 10 HG LEU 10 47.490 3.383 -1.102
98 HD11 LEU 10 HD11 LEU 10 45.129 2.749 -1.270
99 HD12 LEU 10 HD12 LEU 10 46.107 1.630 -2.249
100 HD13 LEU 10 HD13 LEU 10 45.176 2.925 -3.040
101 HD21 LEU 10 HD21 LEU 10 48.678 4.113 -3.243
102 HD22 LEU 10 HD22 LEU 10 47.339 3.367 -4.146
103 HD23 LEU 10 HD23 LEU 10 48.376 2.366 -3.102
104 H LYS 11 HN LYS 11 48.554 8.043 -0.060
105 HA LYS 11 HA LYS 11 48.789 10.180 -1.635
106 HB2 LYS 11 HB2 LYS 11 46.622 11.317 -2.030
107 HB3 LYS 11 HB1 LYS 11 46.627 9.805 -2.938
108 HG2 LYS 11 HG2 LYS 11 45.474 8.848 -0.700
109 HG3 LYS 11 HG1 LYS 11 45.087 10.558 -0.436
110 HD2 LYS 11 HD2 LYS 11 43.972 10.671 -2.630
111 HD3 LYS 11 HD1 LYS 11 44.402 8.973 -2.952
112 HE2 LYS 11 HE2 LYS 11 43.143 8.358 -0.825
113 HE3 LYS 11 HE1 LYS 11 42.553 10.037 -0.778
114 HZ1 LYS 11 HZ1 LYS 11 42.236 8.277 -3.152
115 HZ2 LYS 11 HZ2 LYS 11 41.467 9.759 -2.840
116 HZ3 LYS 11 HZ3 LYS 11 41.070 8.384 -1.924
117 H ASN 12 HN ASN 12 46.475 9.350 1.073
118 HA ASN 12 HA ASN 12 46.426 10.710 3.067
119 HB2 ASN 12 HB2 ASN 12 48.623 9.651 3.338
120 HB3 ASN 12 HB1 ASN 12 49.417 10.805 2.166
121 HD21 ASN 12 HD21 ASN 12 50.771 11.977 3.550
122 HD22 ASN 12 HD22 ASN 12 50.246 12.825 5.006
123 H GLU 13 HN GLU 13 48.946 11.880 1.349
124 HA GLU 13 HA GLU 13 48.755 13.765 -0.279
125 HB2 GLU 13 HB2 GLU 13 48.686 15.984 0.993
126 HB3 GLU 13 HB1 GLU 13 47.157 15.122 1.169
127 HG2 GLU 13 HG2 GLU 13 47.431 15.447 3.434
128 HG3 GLU 13 HG1 GLU 13 48.629 14.139 3.351
129 H ILE 14 HN ILE 14 50.380 11.875 -0.180
130 HA ILE 14 HA ILE 14 52.962 13.193 0.465
131 HB ILE 14 HB ILE 14 52.157 12.846 2.958
132 HG12 ILE 14 HG12 ILE 14 54.822 11.681 2.045
133 HG13 ILE 14 HG11 ILE 14 54.472 13.414 2.246
134 HG21 ILE 14 HG21 ILE 14 51.626 10.255 2.213
135 HG22 ILE 14 HG22 ILE 14 52.013 10.725 3.878
136 HG23 ILE 14 HG23 ILE 14 53.277 10.060 2.825
137 HD11 ILE 14 HD1 ILE 14 54.564 11.262 4.393
138 HD12 ILE 14 HD2 ILE 14 53.801 12.847 4.667
139 HD13 ILE 14 HD3 ILE 14 55.534 12.747 4.279
140 H LYS 15 HN LYS 15 51.486 11.930 -1.246
141 HA LYS 15 HA LYS 15 53.028 9.617 -2.100
142 HB2 LYS 15 HB2 LYS 15 51.590 8.931 -0.317
143 HB3 LYS 15 HB1 LYS 15 50.376 10.099 -1.016
144 HG2 LYS 15 HG2 LYS 15 49.973 7.488 -1.384
145 HG3 LYS 15 HG1 LYS 15 49.951 8.458 -2.867
146 HD2 LYS 15 HD2 LYS 15 52.235 7.763 -3.383
147 HD3 LYS 15 HD1 LYS 15 52.414 7.016 -1.785
148 HE2 LYS 15 HE2 LYS 15 50.824 5.295 -2.308
149 HE3 LYS 15 HE1 LYS 15 50.301 6.134 -3.787
150 HZ1 LYS 15 HZ1 LYS 15 51.769 4.459 -4.482
151 HZ2 LYS 15 HZ2 LYS 15 52.895 4.793 -3.254
152 HZ3 LYS 15 HZ3 LYS 15 52.687 5.884 -4.540
153 H LYS 16 HN LYS 16 50.834 11.921 -2.090
154 HA LYS 16 HA LYS 16 50.085 11.991 -4.994
155 HB2 LYS 16 HB2 LYS 16 48.431 11.170 -3.512
156 HB3 LYS 16 HB1 LYS 16 49.236 12.279 -2.308
157 HG2 LYS 16 HG2 LYS 16 47.178 13.477 -2.736
158 HG3 LYS 16 HG1 LYS 16 48.202 14.179 -3.993
159 HD2 LYS 16 HD2 LYS 16 47.348 12.438 -5.598
160 HD3 LYS 16 HD1 LYS 16 46.221 11.894 -4.332
161 HE2 LYS 16 HE2 LYS 16 45.302 14.228 -4.212
162 HE3 LYS 16 HE1 LYS 16 46.353 14.674 -5.577
163 HZ1 LYS 16 HZ1 LYS 16 45.204 13.279 -7.013
164 HZ2 LYS 16 HZ2 LYS 16 43.960 13.948 -6.068
165 HZ3 LYS 16 HZ3 LYS 16 44.507 12.368 -5.763
166 H LYS 17 HN LYS 17 50.738 12.784 -1.680
167 HA LYS 17 HA LYS 17 51.563 15.643 -2.784
168 HB2 LYS 17 HB2 LYS 17 50.321 15.512 -0.423
169 HB3 LYS 17 HB1 LYS 17 51.956 15.126 0.122
170 HG2 LYS 17 HG2 LYS 17 51.994 17.451 0.281
171 HG3 LYS 17 HG1 LYS 17 52.626 17.212 -1.363
172 HD2 LYS 17 HD2 LYS 17 50.254 17.500 -2.227
173 HD3 LYS 17 HD1 LYS 17 49.764 17.921 -0.569
174 HE2 LYS 17 HE2 LYS 17 50.210 19.978 -1.810
175 HE3 LYS 17 HE1 LYS 17 51.476 19.756 -0.578
176 HZ1 LYS 17 HZ1 LYS 17 53.030 19.200 -2.151
177 HZ2 LYS 17 HZ2 LYS 17 52.105 20.322 -3.028
178 HZ3 LYS 17 HZ3 LYS 17 51.887 18.656 -3.280
179 H TRP 18 HN TRP 18 51.886 12.582 -3.071
180 HA TRP 18 HA TRP 18 54.856 13.176 -3.349
181 HB2 TRP 18 HB2 TRP 18 54.714 12.356 -0.872
182 HB3 TRP 18 HB1 TRP 18 54.615 10.750 -1.593
183 HD1 TRP 18 HD1 TRP 18 56.940 13.689 -1.111
184 HE1 TRP 18 HE1 TRP 18 59.370 12.994 -1.725
185 HE3 TRP 18 HE3 TRP 18 55.989 9.043 -3.050
186 HZ2 TRP 18 HZ2 TRP 18 60.689 10.715 -2.886
187 HZ3 TRP 18 HZ3 TRP 18 57.850 7.625 -3.895
188 HH2 TRP 18 HH2 TRP 18 60.198 8.454 -3.811
189 H ARG 19 HN ARG 19 52.265 12.351 -4.700
190 HA ARG 19 HA ARG 19 53.375 10.014 -6.034
191 HB2 ARG 19 HB2 ARG 19 50.753 10.056 -5.858
192 HB3 ARG 19 HB1 ARG 19 50.878 11.279 -7.112
193 HG2 ARG 19 HG2 ARG 19 51.931 9.698 -8.625
194 HG3 ARG 19 HG1 ARG 19 52.091 8.497 -7.325
195 HD2 ARG 19 HD2 ARG 19 49.440 9.590 -8.362
196 HD3 ARG 19 HD1 ARG 19 50.155 8.032 -8.844
197 HE ARG 19 HE ARG 19 49.944 8.227 -5.962
198 HH11 ARG 19 HH11 ARG 19 47.303 8.967 -7.591
199 HH12 ARG 19 HH12 ARG 19 46.459 7.465 -7.414
200 HH21 ARG 19 HH21 ARG 19 49.238 5.732 -6.280
201 HH22 ARG 19 HH22 ARG 19 47.554 5.634 -6.671
202 H LYS 20 HN LYS 20 54.679 12.190 -5.675
203 HA LYS 20 HA LYS 20 56.140 13.298 -7.409
204 HB2 LYS 20 HB2 LYS 20 53.443 13.714 -8.295
205 HB3 LYS 20 HB1 LYS 20 54.868 14.716 -8.844
206 HG2 LYS 20 HG2 LYS 20 55.064 11.712 -9.288
207 HG3 LYS 20 HG1 LYS 20 53.961 12.597 -10.365
208 HD2 LYS 20 HD2 LYS 20 56.779 13.637 -9.903
209 HD3 LYS 20 HD1 LYS 20 56.503 12.308 -11.049
210 HE2 LYS 20 HE2 LYS 20 55.121 13.642 -12.449
211 HE3 LYS 20 HE1 LYS 20 54.884 14.878 -11.191
212 HZ1 LYS 20 HZ1 LYS 20 57.094 15.605 -11.417
213 HZ2 LYS 20 HZ2 LYS 20 56.527 15.422 -13.008
214 HZ3 LYS 20 HZ3 LYS 20 57.553 14.251 -12.328
215 H ALA 21 HN ALA 21 54.333 13.313 -5.081
216 HA ALA 21 HA ALA 21 53.645 14.978 -4.079
217 HB1 ALA 21 HB1 ALA 21 54.477 17.020 -3.543
218 HB2 ALA 21 HB2 ALA 21 54.552 17.305 -5.278
219 HB3 ALA 21 HB3 ALA 21 55.786 16.319 -4.494
220 H VAL 22 HN VAL 22 52.677 13.259 -5.648
221 HA VAL 22 HA VAL 22 51.478 13.420 -7.549
222 HB VAL 22 HB VAL 22 49.409 13.830 -5.973
223 HG11 VAL 22 HG11 VAL 22 49.471 16.574 -7.262
224 HG12 VAL 22 HG12 VAL 22 50.051 16.281 -5.614
225 HG13 VAL 22 HG13 VAL 22 48.351 15.974 -6.022
226 HG21 VAL 22 HG21 VAL 22 49.359 13.194 -8.489
227 HG22 VAL 22 HG22 VAL 22 48.912 14.890 -8.757
228 HG23 VAL 22 HG23 VAL 22 47.885 13.853 -7.752
229 H ILE 23 HN ILE 23 53.606 15.391 -6.816
230 HA ILE 23 HA ILE 23 53.304 16.550 -9.688
231 HB ILE 23 HB ILE 23 51.589 17.996 -8.237
232 HG12 ILE 23 HG12 ILE 23 52.364 20.055 -9.774
233 HG13 ILE 23 HG11 ILE 23 53.472 18.847 -10.461
234 HG21 ILE 23 HG21 ILE 23 53.325 18.706 -6.565
235 HG22 ILE 23 HG22 ILE 23 52.498 20.054 -7.358
236 HG23 ILE 23 HG23 ILE 23 54.146 19.613 -7.853
237 HD11 ILE 23 HD1 ILE 23 51.351 17.339 -10.691
238 HD12 ILE 23 HD2 ILE 23 51.533 18.699 -11.822
239 HD13 ILE 23 HD3 ILE 23 50.435 18.839 -10.429
240 H ALA 24 HN ALA 24 55.011 16.545 -6.679
241 HA ALA 24 HA ALA 24 57.355 17.210 -8.104
242 HB1 ALA 24 HB1 ALA 24 56.557 18.211 -5.573
243 HB2 ALA 24 HB2 ALA 24 56.489 19.209 -7.046
244 HB3 ALA 24 HB3 ALA 24 58.068 18.731 -6.352
245 H TRP 25 HN TRP 25 55.913 15.534 -6.462
246 HA TRP 25 HA TRP 25 56.632 13.444 -5.131
247 HB2 TRP 25 HB2 TRP 25 59.119 14.066 -6.709
248 HB3 TRP 25 HB1 TRP 25 59.402 13.183 -5.204
249 HD1 TRP 25 HD1 TRP 25 57.195 11.130 -5.059
250 HE1 TRP 25 HE1 TRP 25 56.852 9.272 -6.842
251 HE3 TRP 25 HE3 TRP 25 59.610 13.341 -8.986
252 HZ2 TRP 25 HZ2 TRP 25 57.546 8.839 -9.606
253 HZ3 TRP 25 HZ3 TRP 25 59.757 12.191 -11.189
254 HH2 TRP 25 HH2 TRP 25 58.729 9.944 -11.502
Start of MODEL 6
1 H1 ALA 1 HT1 ALA 1 45.987 2.387 11.247
2 H2 ALA 1 HT2 ALA 1 45.416 1.695 12.692
3 H3 ALA 1 HT3 ALA 1 46.952 1.279 12.093
4 HA ALA 1 HA ALA 1 46.067 3.853 13.215
5 HB1 ALA 1 HB1 ALA 1 48.340 1.990 13.979
6 HB2 ALA 1 HB2 ALA 1 46.744 2.006 14.767
7 HB3 ALA 1 HB3 ALA 1 47.795 3.439 14.856
8 H GLY 2 HN GLY 2 46.477 5.091 11.349
9 HA2 GLY 2 HA1 GLY 2 47.880 6.526 10.178
10 HA3 GLY 2 HA2 GLY 2 49.258 5.889 11.097
11 H LYS 3 HN LYS 3 48.217 3.098 10.180
12 HA LYS 3 HA LYS 3 50.038 2.921 7.919
13 HB2 LYS 3 HB2 LYS 3 48.032 0.901 8.999
14 HB3 LYS 3 HB1 LYS 3 49.356 0.553 7.859
15 HG2 LYS 3 HG2 LYS 3 50.944 1.523 9.644
16 HG3 LYS 3 HG1 LYS 3 49.564 1.437 10.765
17 HD2 LYS 3 HD2 LYS 3 50.754 -0.900 9.204
18 HD3 LYS 3 HD1 LYS 3 50.959 -0.594 10.944
19 HE2 LYS 3 HE2 LYS 3 48.359 -0.635 11.062
20 HE3 LYS 3 HE1 LYS 3 48.438 -1.386 9.449
21 HZ1 LYS 3 HZ1 LYS 3 48.530 -3.217 10.786
22 HZ2 LYS 3 HZ2 LYS 3 49.353 -2.423 12.042
23 HZ3 LYS 3 HZ3 LYS 3 50.188 -2.897 10.641
24 H GLU 4 HN GLU 4 46.628 3.506 8.318
25 HA GLU 4 HA GLU 4 46.346 3.792 5.379
26 HB2 GLU 4 HB2 GLU 4 44.684 1.827 7.008
27 HB3 GLU 4 HB1 GLU 4 44.238 2.406 5.386
28 HG2 GLU 4 HG2 GLU 4 46.544 1.582 4.606
29 HG3 GLU 4 HG1 GLU 4 46.681 0.770 6.182
30 H LYS 5 HN LYS 5 46.423 5.676 7.498
31 HA LYS 5 HA LYS 5 43.593 6.715 7.364
32 HB2 LYS 5 HB2 LYS 5 45.498 6.989 9.727
33 HB3 LYS 5 HB1 LYS 5 43.839 7.614 9.622
34 HG2 LYS 5 HG2 LYS 5 44.463 4.647 9.318
35 HG3 LYS 5 HG1 LYS 5 44.190 5.390 10.906
36 HD2 LYS 5 HD2 LYS 5 41.968 6.269 9.999
37 HD3 LYS 5 HD1 LYS 5 42.237 5.243 8.570
38 HE2 LYS 5 HE2 LYS 5 42.502 3.272 10.138
39 HE3 LYS 5 HE1 LYS 5 41.984 4.339 11.465
40 HZ1 LYS 5 HZ1 LYS 5 39.993 3.467 10.811
41 HZ2 LYS 5 HZ2 LYS 5 40.445 3.313 9.180
42 HZ3 LYS 5 HZ3 LYS 5 40.035 4.836 9.810
43 H ILE 6 HN ILE 6 47.075 7.374 7.709
44 HA ILE 6 HA ILE 6 46.972 9.615 5.914
45 HB ILE 6 HB ILE 6 45.848 10.810 7.719
46 HG12 ILE 6 HG12 ILE 6 48.791 11.632 7.664
47 HG13 ILE 6 HG11 ILE 6 47.609 11.995 6.386
48 HG21 ILE 6 HG21 ILE 6 48.198 10.429 9.603
49 HG22 ILE 6 HG22 ILE 6 46.928 9.186 9.523
50 HG23 ILE 6 HG23 ILE 6 46.512 10.855 9.967
51 HD11 ILE 6 HD1 ILE 6 47.509 12.904 9.289
52 HD12 ILE 6 HD2 ILE 6 46.175 13.126 8.132
53 HD13 ILE 6 HD3 ILE 6 47.741 13.924 7.850
54 H ARG 7 HN ARG 7 48.763 8.704 4.943
55 HA ARG 7 HA ARG 7 51.347 9.384 5.981
56 HB2 ARG 7 HB2 ARG 7 51.083 7.637 7.678
57 HB3 ARG 7 HB1 ARG 7 50.507 6.481 6.455
58 HG2 ARG 7 HG2 ARG 7 52.668 6.385 5.400
59 HG3 ARG 7 HG1 ARG 7 53.255 7.787 6.327
60 HD2 ARG 7 HD2 ARG 7 52.436 5.109 7.538
61 HD3 ARG 7 HD1 ARG 7 54.114 5.622 7.235
62 HE ARG 7 HE ARG 7 52.460 6.474 9.458
63 HH11 ARG 7 HH11 ARG 7 52.700 9.133 8.718
64 HH12 ARG 7 HH12 ARG 7 54.325 9.605 9.088
65 HH21 ARG 7 HH21 ARG 7 55.507 6.352 9.292
66 HH22 ARG 7 HH22 ARG 7 55.913 8.031 9.413
67 H LYS 8 HN LYS 8 49.062 7.816 4.186
68 HA LYS 8 HA LYS 8 49.448 8.281 1.709
69 HB2 LYS 8 HB2 LYS 8 50.887 6.748 0.561
70 HB3 LYS 8 HB1 LYS 8 51.833 7.801 1.623
71 HG2 LYS 8 HG2 LYS 8 51.426 5.707 3.352
72 HG3 LYS 8 HG1 LYS 8 51.366 4.825 1.813
73 HD2 LYS 8 HD2 LYS 8 53.566 5.751 1.176
74 HD3 LYS 8 HD1 LYS 8 53.636 6.652 2.710
75 HE2 LYS 8 HE2 LYS 8 53.537 4.536 3.977
76 HE3 LYS 8 HE1 LYS 8 53.426 3.619 2.456
77 HZ1 LYS 8 HZ1 LYS 8 55.718 4.020 3.631
78 HZ2 LYS 8 HZ2 LYS 8 55.654 5.504 2.804
79 HZ3 LYS 8 HZ3 LYS 8 55.594 4.042 1.940
80 H LYS 9 HN LYS 9 47.341 7.524 2.893
81 HA LYS 9 HA LYS 9 46.676 4.774 2.980
82 HB2 LYS 9 HB2 LYS 9 45.205 6.795 3.605
83 HB3 LYS 9 HB1 LYS 9 44.838 6.923 1.868
84 HG2 LYS 9 HG2 LYS 9 44.209 4.384 2.041
85 HG3 LYS 9 HG1 LYS 9 44.163 4.670 3.796
86 HD2 LYS 9 HD2 LYS 9 42.525 6.120 1.669
87 HD3 LYS 9 HD1 LYS 9 41.916 4.965 2.877
88 HE2 LYS 9 HE2 LYS 9 43.048 7.747 3.351
89 HE3 LYS 9 HE1 LYS 9 41.426 7.137 3.757
90 HZ1 LYS 9 HZ1 LYS 9 42.618 7.092 5.752
91 HZ2 LYS 9 HZ2 LYS 9 44.020 6.462 5.026
92 HZ3 LYS 9 HZ3 LYS 9 42.647 5.482 5.220
93 H LEU 10 HN LEU 10 47.621 6.846 0.638
94 HA LEU 10 HA LEU 10 48.524 5.647 -1.432
95 HB2 LEU 10 HB2 LEU 10 45.520 5.150 -1.555
96 HB3 LEU 10 HB1 LEU 10 46.411 5.419 -3.061
97 HG LEU 10 HG LEU 10 47.520 3.391 -1.088
98 HD11 LEU 10 HD11 LEU 10 45.175 2.726 -1.254
99 HD12 LEU 10 HD12 LEU 10 46.159 1.626 -2.249
100 HD13 LEU 10 HD13 LEU 10 45.208 2.918 -3.022
101 HD21 LEU 10 HD21 LEU 10 48.278 2.321 -3.187
102 HD22 LEU 10 HD22 LEU 10 48.806 4.019 -3.118
103 HD23 LEU 10 HD23 LEU 10 47.420 3.558 -4.135
104 H LYS 11 HN LYS 11 48.504 8.064 -0.021
105 HA LYS 11 HA LYS 11 48.760 10.187 -1.648
106 HB2 LYS 11 HB2 LYS 11 46.585 11.313 -2.020
107 HB3 LYS 11 HB1 LYS 11 46.590 9.799 -2.922
108 HG2 LYS 11 HG2 LYS 11 45.464 8.822 -0.697
109 HG3 LYS 11 HG1 LYS 11 45.104 10.526 -0.375
110 HD2 LYS 11 HD2 LYS 11 44.359 9.121 -2.978
111 HD3 LYS 11 HD1 LYS 11 43.267 9.258 -1.583
112 HE2 LYS 11 HE2 LYS 11 43.534 11.752 -1.670
113 HE3 LYS 11 HE1 LYS 11 44.509 11.563 -3.146
114 HZ1 LYS 11 HZ1 LYS 11 41.640 11.248 -2.755
115 HZ2 LYS 11 HZ2 LYS 11 42.376 10.112 -3.782
116 HZ3 LYS 11 HZ3 LYS 11 42.502 11.773 -4.118
117 H ASN 12 HN ASN 12 46.442 9.399 1.080
118 HA ASN 12 HA ASN 12 46.419 10.758 3.074
119 HB2 ASN 12 HB2 ASN 12 48.629 9.703 3.330
120 HB3 ASN 12 HB1 ASN 12 49.408 10.848 2.152
121 HD21 ASN 12 HD21 ASN 12 50.331 10.460 4.893
122 HD22 ASN 12 HD22 ASN 12 50.044 11.966 5.769
123 H GLU 13 HN GLU 13 48.909 11.921 1.334
124 HA GLU 13 HA GLU 13 48.706 13.769 -0.331
125 HB2 GLU 13 HB2 GLU 13 47.817 14.967 2.352
126 HB3 GLU 13 HB1 GLU 13 48.949 15.929 1.387
127 HG2 GLU 13 HG2 GLU 13 47.433 15.983 -0.494
128 HG3 GLU 13 HG1 GLU 13 46.361 14.781 0.264
129 H ILE 14 HN ILE 14 50.340 11.905 -0.211
130 HA ILE 14 HA ILE 14 52.900 13.237 0.538
131 HB ILE 14 HB ILE 14 51.898 12.751 2.971
132 HG12 ILE 14 HG12 ILE 14 54.706 11.830 2.215
133 HG13 ILE 14 HG11 ILE 14 54.211 13.521 2.467
134 HG21 ILE 14 HG21 ILE 14 51.593 10.177 2.113
135 HG22 ILE 14 HG22 ILE 14 51.874 10.602 3.811
136 HG23 ILE 14 HG23 ILE 14 53.227 10.061 2.794
137 HD11 ILE 14 HD1 ILE 14 54.305 11.273 4.513
138 HD12 ILE 14 HD2 ILE 14 53.410 12.785 4.801
139 HD13 ILE 14 HD3 ILE 14 55.171 12.828 4.543
140 H LYS 15 HN LYS 15 51.417 11.953 -1.243
141 HA LYS 15 HA LYS 15 53.032 9.681 -2.100
142 HB2 LYS 15 HB2 LYS 15 51.576 8.963 -0.343
143 HB3 LYS 15 HB1 LYS 15 50.357 10.117 -1.059
144 HG2 LYS 15 HG2 LYS 15 49.982 7.504 -1.441
145 HG3 LYS 15 HG1 LYS 15 49.977 8.476 -2.921
146 HD2 LYS 15 HD2 LYS 15 52.315 7.822 -3.356
147 HD3 LYS 15 HD1 LYS 15 52.395 6.989 -1.791
148 HE2 LYS 15 HE2 LYS 15 50.739 5.365 -2.491
149 HE3 LYS 15 HE1 LYS 15 50.421 6.266 -3.993
150 HZ1 LYS 15 HZ1 LYS 15 51.880 4.544 -4.580
151 HZ2 LYS 15 HZ2 LYS 15 52.873 4.782 -3.223
152 HZ3 LYS 15 HZ3 LYS 15 52.866 5.921 -4.485
153 H LYS 16 HN LYS 16 50.799 11.934 -2.132
154 HA LYS 16 HA LYS 16 50.060 11.981 -5.036
155 HB2 LYS 16 HB2 LYS 16 48.401 11.153 -3.538
156 HB3 LYS 16 HB1 LYS 16 49.185 12.303 -2.358
157 HG2 LYS 16 HG2 LYS 16 47.079 13.424 -2.864
158 HG3 LYS 16 HG1 LYS 16 48.159 14.166 -4.049
159 HD2 LYS 16 HD2 LYS 16 47.418 12.576 -5.774
160 HD3 LYS 16 HD1 LYS 16 46.370 11.760 -4.589
161 HE2 LYS 16 HE2 LYS 16 45.113 13.880 -4.254
162 HE3 LYS 16 HE1 LYS 16 46.142 14.671 -5.472
163 HZ1 LYS 16 HZ1 LYS 16 44.322 12.355 -5.907
164 HZ2 LYS 16 HZ2 LYS 16 45.396 12.965 -7.074
165 HZ3 LYS 16 HZ3 LYS 16 44.121 13.930 -6.499
166 H LYS 17 HN LYS 17 50.666 12.808 -1.724
167 HA LYS 17 HA LYS 17 51.471 15.668 -2.838
168 HB2 LYS 17 HB2 LYS 17 50.199 15.554 -0.495
169 HB3 LYS 17 HB1 LYS 17 51.828 15.158 0.072
170 HG2 LYS 17 HG2 LYS 17 51.859 17.488 0.232
171 HG3 LYS 17 HG1 LYS 17 52.545 17.232 -1.387
172 HD2 LYS 17 HD2 LYS 17 50.362 17.683 -2.423
173 HD3 LYS 17 HD1 LYS 17 49.594 17.800 -0.821
174 HE2 LYS 17 HE2 LYS 17 51.898 19.588 -1.693
175 HE3 LYS 17 HE1 LYS 17 50.187 20.029 -1.906
176 HZ1 LYS 17 HZ1 LYS 17 49.966 19.534 0.558
177 HZ2 LYS 17 HZ2 LYS 17 50.819 20.943 0.139
178 HZ3 LYS 17 HZ3 LYS 17 51.662 19.550 0.624
179 H TRP 18 HN TRP 18 51.838 12.614 -3.104
180 HA TRP 18 HA TRP 18 54.786 13.244 -3.353
181 HB2 TRP 18 HB2 TRP 18 54.643 12.453 -0.865
182 HB3 TRP 18 HB1 TRP 18 54.627 10.835 -1.582
183 HD1 TRP 18 HD1 TRP 18 56.778 13.924 -1.160
184 HE1 TRP 18 HE1 TRP 18 59.246 13.373 -1.764
185 HE3 TRP 18 HE3 TRP 18 56.127 9.182 -2.988
186 HZ2 TRP 18 HZ2 TRP 18 60.707 11.161 -2.882
187 HZ3 TRP 18 HZ3 TRP 18 58.075 7.871 -3.813
188 HH2 TRP 18 HH2 TRP 18 60.363 8.854 -3.759
189 H ARG 19 HN ARG 19 52.301 12.412 -4.737
190 HA ARG 19 HA ARG 19 53.421 10.060 -6.041
191 HB2 ARG 19 HB2 ARG 19 50.795 10.029 -5.873
192 HB3 ARG 19 HB1 ARG 19 50.886 11.284 -7.099
193 HG2 ARG 19 HG2 ARG 19 52.301 9.640 -8.469
194 HG3 ARG 19 HG1 ARG 19 51.848 8.410 -7.271
195 HD2 ARG 19 HD2 ARG 19 49.877 10.084 -8.888
196 HD3 ARG 19 HD1 ARG 19 50.327 8.400 -9.246
197 HE ARG 19 HE ARG 19 49.460 8.445 -6.557
198 HH11 ARG 19 HH11 ARG 19 48.318 8.846 -9.779
199 HH12 ARG 19 HH12 ARG 19 46.661 8.548 -9.373
200 HH21 ARG 19 HH21 ARG 19 47.282 8.181 -5.982
201 HH22 ARG 19 HH22 ARG 19 46.074 8.172 -7.223
202 H LYS 20 HN LYS 20 54.804 12.121 -5.715
203 HA LYS 20 HA LYS 20 56.207 13.339 -7.411
204 HB2 LYS 20 HB2 LYS 20 53.589 13.861 -8.230
205 HB3 LYS 20 HB1 LYS 20 54.994 14.626 -9.050
206 HG2 LYS 20 HG2 LYS 20 54.959 11.599 -9.226
207 HG3 LYS 20 HG1 LYS 20 53.745 12.441 -10.219
208 HD2 LYS 20 HD2 LYS 20 56.637 13.362 -10.255
209 HD3 LYS 20 HD1 LYS 20 56.143 11.953 -11.216
210 HE2 LYS 20 HE2 LYS 20 54.367 13.351 -12.300
211 HE3 LYS 20 HE1 LYS 20 54.962 14.764 -11.396
212 HZ1 LYS 20 HZ1 LYS 20 56.014 13.544 -13.754
213 HZ2 LYS 20 HZ2 LYS 20 57.196 13.653 -12.538
214 HZ3 LYS 20 HZ3 LYS 20 56.381 15.048 -13.063
215 H ALA 21 HN ALA 21 54.323 13.294 -5.123
216 HA ALA 21 HA ALA 21 53.522 14.926 -4.124
217 HB1 ALA 21 HB1 ALA 21 55.711 16.262 -4.387
218 HB2 ALA 21 HB2 ALA 21 54.354 16.945 -3.488
219 HB3 ALA 21 HB3 ALA 21 54.532 17.285 -5.208
220 H VAL 22 HN VAL 22 52.639 13.286 -5.679
221 HA VAL 22 HA VAL 22 51.438 13.436 -7.618
222 HB VAL 22 HB VAL 22 49.389 13.863 -6.040
223 HG11 VAL 22 HG11 VAL 22 49.512 16.625 -7.306
224 HG12 VAL 22 HG12 VAL 22 50.057 16.300 -5.650
225 HG13 VAL 22 HG13 VAL 22 48.358 16.037 -6.091
226 HG21 VAL 22 HG21 VAL 22 47.859 13.940 -7.816
227 HG22 VAL 22 HG22 VAL 22 49.318 13.256 -8.563
228 HG23 VAL 22 HG23 VAL 22 48.905 14.965 -8.816
229 H ILE 23 HN ILE 23 53.597 15.354 -6.860
230 HA ILE 23 HA ILE 23 53.366 16.512 -9.736
231 HB ILE 23 HB ILE 23 51.662 18.012 -8.341
232 HG12 ILE 23 HG12 ILE 23 53.715 19.156 -10.291
233 HG13 ILE 23 HG11 ILE 23 52.210 18.316 -10.729
234 HG21 ILE 23 HG21 ILE 23 52.574 19.993 -7.362
235 HG22 ILE 23 HG22 ILE 23 54.215 19.614 -7.935
236 HG23 ILE 23 HG23 ILE 23 53.471 18.644 -6.655
237 HD11 ILE 23 HD1 ILE 23 52.563 21.052 -9.466
238 HD12 ILE 23 HD2 ILE 23 51.036 20.158 -9.266
239 HD13 ILE 23 HD3 ILE 23 51.608 20.594 -10.894
240 H ALA 24 HN ALA 24 54.971 16.552 -6.644
241 HA ALA 24 HA ALA 24 57.389 17.112 -8.007
242 HB1 ALA 24 HB1 ALA 24 58.075 18.638 -6.265
243 HB2 ALA 24 HB2 ALA 24 56.537 18.123 -5.508
244 HB3 ALA 24 HB3 ALA 24 56.505 19.125 -6.977
245 H TRP 25 HN TRP 25 55.884 15.448 -6.407
246 HA TRP 25 HA TRP 25 56.499 13.518 -4.846
247 HB2 TRP 25 HB2 TRP 25 58.957 12.605 -5.076
248 HB3 TRP 25 HB1 TRP 25 57.833 12.341 -6.401
249 HD1 TRP 25 HD1 TRP 25 58.114 14.058 -8.550
250 HE1 TRP 25 HE1 TRP 25 60.236 15.194 -9.519
251 HE3 TRP 25 HE3 TRP 25 61.211 13.578 -4.497
252 HZ2 TRP 25 HZ2 TRP 25 62.904 15.795 -8.634
253 HZ3 TRP 25 HZ3 TRP 25 63.542 14.440 -4.587
254 HH2 TRP 25 HH2 TRP 25 64.393 15.546 -6.651
Start of MODEL 7
1 H1 ALA 1 HT1 ALA 1 46.116 4.382 13.854
2 H2 ALA 1 HT2 ALA 1 45.268 3.752 12.523
3 H3 ALA 1 HT3 ALA 1 46.291 5.094 12.327
4 HA ALA 1 HA ALA 1 47.707 2.966 13.486
5 HB1 ALA 1 HB1 ALA 1 46.232 2.415 10.889
6 HB2 ALA 1 HB2 ALA 1 46.103 1.506 12.414
7 HB3 ALA 1 HB3 ALA 1 47.619 1.469 11.479
8 H GLY 2 HN GLY 2 47.782 3.047 10.049
9 HA2 GLY 2 HA1 GLY 2 49.105 5.395 9.396
10 HA3 GLY 2 HA2 GLY 2 50.375 4.369 10.090
11 H LYS 3 HN LYS 3 49.628 1.856 9.226
12 HA LYS 3 HA LYS 3 50.777 1.701 6.676
13 HB2 LYS 3 HB2 LYS 3 49.784 -0.560 6.538
14 HB3 LYS 3 HB1 LYS 3 50.462 -0.243 8.153
15 HG2 LYS 3 HG2 LYS 3 48.141 0.453 8.900
16 HG3 LYS 3 HG1 LYS 3 47.532 -0.117 7.327
17 HD2 LYS 3 HD2 LYS 3 48.444 -2.375 7.788
18 HD3 LYS 3 HD1 LYS 3 49.049 -1.807 9.363
19 HE2 LYS 3 HE2 LYS 3 46.121 -1.717 8.519
20 HE3 LYS 3 HE1 LYS 3 46.839 -3.007 9.514
21 HZ1 LYS 3 HZ1 LYS 3 46.953 -0.120 10.221
22 HZ2 LYS 3 HZ2 LYS 3 47.385 -1.442 11.197
23 HZ3 LYS 3 HZ3 LYS 3 45.756 -1.178 10.791
24 H GLU 4 HN GLU 4 47.567 2.676 7.561
25 HA GLU 4 HA GLU 4 46.976 3.463 4.840
26 HB2 GLU 4 HB2 GLU 4 46.568 0.940 4.783
27 HB3 GLU 4 HB1 GLU 4 45.231 1.219 5.924
28 HG2 GLU 4 HG2 GLU 4 44.209 2.818 4.308
29 HG3 GLU 4 HG1 GLU 4 45.529 2.485 3.161
30 H LYS 5 HN LYS 5 46.881 5.338 6.312
31 HA LYS 5 HA LYS 5 44.094 5.914 6.973
32 HB2 LYS 5 HB2 LYS 5 44.874 4.651 9.006
33 HB3 LYS 5 HB1 LYS 5 46.117 5.902 9.248
34 HG2 LYS 5 HG2 LYS 5 44.375 7.633 9.426
35 HG3 LYS 5 HG1 LYS 5 43.112 6.414 9.124
36 HD2 LYS 5 HD2 LYS 5 43.864 5.177 11.166
37 HD3 LYS 5 HD1 LYS 5 45.040 6.474 11.488
38 HE2 LYS 5 HE2 LYS 5 43.052 6.913 12.816
39 HE3 LYS 5 HE1 LYS 5 43.116 8.113 11.504
40 HZ1 LYS 5 HZ1 LYS 5 40.915 6.911 11.937
41 HZ2 LYS 5 HZ2 LYS 5 41.636 5.570 11.182
42 HZ3 LYS 5 HZ3 LYS 5 41.447 7.029 10.331
43 H ILE 6 HN ILE 6 47.524 6.773 7.397
44 HA ILE 6 HA ILE 6 47.270 9.226 5.963
45 HB ILE 6 HB ILE 6 46.042 10.113 7.865
46 HG12 ILE 6 HG12 ILE 6 48.927 11.090 8.097
47 HG13 ILE 6 HG11 ILE 6 47.835 11.524 6.763
48 HG21 ILE 6 HG21 ILE 6 48.351 9.544 9.757
49 HG22 ILE 6 HG22 ILE 6 47.101 8.314 9.474
50 HG23 ILE 6 HG23 ILE 6 46.651 9.903 10.128
51 HD11 ILE 6 HD1 ILE 6 46.195 12.396 8.475
52 HD12 ILE 6 HD2 ILE 6 47.735 13.288 8.434
53 HD13 ILE 6 HD3 ILE 6 47.426 12.105 9.727
54 H ARG 7 HN ARG 7 49.055 8.566 4.923
55 HA ARG 7 HA ARG 7 51.625 9.297 5.922
56 HB2 ARG 7 HB2 ARG 7 51.583 7.430 7.499
57 HB3 ARG 7 HB1 ARG 7 50.962 6.326 6.250
58 HG2 ARG 7 HG2 ARG 7 53.040 6.396 5.033
59 HG3 ARG 7 HG1 ARG 7 53.643 7.753 6.016
60 HD2 ARG 7 HD2 ARG 7 53.591 6.276 8.032
61 HD3 ARG 7 HD1 ARG 7 53.075 4.921 7.000
62 HE ARG 7 HE ARG 7 55.398 5.823 5.783
63 HH11 ARG 7 HH11 ARG 7 55.207 3.169 7.183
64 HH12 ARG 7 HH12 ARG 7 56.450 3.306 8.380
65 HH21 ARG 7 HH21 ARG 7 56.704 6.753 8.103
66 HH22 ARG 7 HH22 ARG 7 57.297 5.336 8.902
67 H LYS 8 HN LYS 8 49.300 7.839 4.166
68 HA LYS 8 HA LYS 8 50.139 8.557 1.671
69 HB2 LYS 8 HB2 LYS 8 50.534 6.288 0.644
70 HB3 LYS 8 HB1 LYS 8 51.891 6.938 1.594
71 HG2 LYS 8 HG2 LYS 8 50.731 5.543 3.580
72 HG3 LYS 8 HG1 LYS 8 50.033 4.626 2.226
73 HD2 LYS 8 HD2 LYS 8 52.329 4.266 1.316
74 HD3 LYS 8 HD1 LYS 8 53.000 5.112 2.732
75 HE2 LYS 8 HE2 LYS 8 52.092 3.436 4.241
76 HE3 LYS 8 HE1 LYS 8 51.208 2.652 2.911
77 HZ1 LYS 8 HZ1 LYS 8 54.155 2.974 2.845
78 HZ2 LYS 8 HZ2 LYS 8 53.183 1.909 1.946
79 HZ3 LYS 8 HZ3 LYS 8 53.426 1.646 3.607
80 H LYS 9 HN LYS 9 48.733 5.484 2.984
81 HA LYS 9 HA LYS 9 46.544 4.697 2.722
82 HB2 LYS 9 HB2 LYS 9 46.200 7.045 3.832
83 HB3 LYS 9 HB1 LYS 9 45.664 7.539 2.216
84 HG2 LYS 9 HG2 LYS 9 44.010 5.635 2.241
85 HG3 LYS 9 HG1 LYS 9 44.477 5.312 3.929
86 HD2 LYS 9 HD2 LYS 9 43.784 7.580 4.583
87 HD3 LYS 9 HD1 LYS 9 43.377 7.962 2.893
88 HE2 LYS 9 HE2 LYS 9 41.333 7.360 4.106
89 HE3 LYS 9 HE1 LYS 9 41.708 6.094 2.912
90 HZ1 LYS 9 HZ1 LYS 9 42.848 5.789 5.586
91 HZ2 LYS 9 HZ2 LYS 9 42.245 4.613 4.518
92 HZ3 LYS 9 HZ3 LYS 9 41.175 5.556 5.440
93 H LEU 10 HN LEU 10 48.405 6.041 0.603
94 HA LEU 10 HA LEU 10 48.629 5.613 -1.693
95 HB2 LEU 10 HB2 LEU 10 46.450 4.111 -1.454
96 HB3 LEU 10 HB1 LEU 10 45.611 5.558 -2.051
97 HG LEU 10 HG LEU 10 47.493 5.525 -3.941
98 HD11 LEU 10 HD11 LEU 10 48.120 3.170 -4.538
99 HD12 LEU 10 HD12 LEU 10 47.443 2.622 -2.988
100 HD13 LEU 10 HD13 LEU 10 48.855 3.704 -3.011
101 HD21 LEU 10 HD21 LEU 10 45.180 3.534 -3.841
102 HD22 LEU 10 HD22 LEU 10 46.036 4.030 -5.322
103 HD23 LEU 10 HD23 LEU 10 45.098 5.225 -4.392
104 H LYS 11 HN LYS 11 48.504 8.027 -0.031
105 HA LYS 11 HA LYS 11 48.624 10.223 -1.638
106 HB2 LYS 11 HB2 LYS 11 46.229 11.164 -1.663
107 HB3 LYS 11 HB1 LYS 11 46.496 9.895 -2.858
108 HG2 LYS 11 HG2 LYS 11 44.788 8.650 -1.945
109 HG3 LYS 11 HG1 LYS 11 45.592 8.652 -0.362
110 HD2 LYS 11 HD2 LYS 11 44.570 10.831 0.176
111 HD3 LYS 11 HD1 LYS 11 43.802 10.881 -1.430
112 HE2 LYS 11 HE2 LYS 11 42.454 8.936 -0.931
113 HE3 LYS 11 HE1 LYS 11 43.352 8.632 0.576
114 HZ1 LYS 11 HZ1 LYS 11 41.473 10.841 -0.038
115 HZ2 LYS 11 HZ2 LYS 11 42.586 10.950 1.241
116 HZ3 LYS 11 HZ3 LYS 11 41.411 9.723 1.236
117 H ASN 12 HN ASN 12 46.296 9.428 1.109
118 HA ASN 12 HA ASN 12 46.369 10.701 3.144
119 HB2 ASN 12 HB2 ASN 12 48.636 9.653 3.261
120 HB3 ASN 12 HB1 ASN 12 49.354 10.942 2.207
121 HD21 ASN 12 HD21 ASN 12 50.267 10.384 4.928
122 HD22 ASN 12 HD22 ASN 12 49.868 11.793 5.916
123 H GLU 13 HN GLU 13 48.753 11.890 1.283
124 HA GLU 13 HA GLU 13 48.523 13.692 -0.383
125 HB2 GLU 13 HB2 GLU 13 47.628 14.983 2.265
126 HB3 GLU 13 HB1 GLU 13 48.655 15.934 1.180
127 HG2 GLU 13 HG2 GLU 13 47.049 15.690 -0.646
128 HG3 GLU 13 HG1 GLU 13 46.047 14.595 0.338
129 H ILE 14 HN ILE 14 50.223 11.932 -0.210
130 HA ILE 14 HA ILE 14 52.728 13.334 0.499
131 HB ILE 14 HB ILE 14 51.719 12.966 2.974
132 HG12 ILE 14 HG12 ILE 14 54.578 12.183 2.269
133 HG13 ILE 14 HG11 ILE 14 53.974 13.850 2.425
134 HG21 ILE 14 HG21 ILE 14 53.212 10.361 2.953
135 HG22 ILE 14 HG22 ILE 14 51.561 10.337 2.308
136 HG23 ILE 14 HG23 ILE 14 51.853 10.889 3.967
137 HD11 ILE 14 HD1 ILE 14 54.209 11.732 4.596
138 HD12 ILE 14 HD2 ILE 14 53.220 13.199 4.799
139 HD13 ILE 14 HD3 ILE 14 54.974 13.336 4.534
140 H LYS 15 HN LYS 15 51.344 11.970 -1.241
141 HA LYS 15 HA LYS 15 52.977 9.674 -1.918
142 HB2 LYS 15 HB2 LYS 15 51.464 9.006 -0.186
143 HB3 LYS 15 HB1 LYS 15 50.252 10.079 -1.025
144 HG2 LYS 15 HG2 LYS 15 50.003 7.444 -1.287
145 HG3 LYS 15 HG1 LYS 15 50.015 8.352 -2.809
146 HD2 LYS 15 HD2 LYS 15 52.354 7.762 -3.173
147 HD3 LYS 15 HD1 LYS 15 52.486 7.090 -1.536
148 HE2 LYS 15 HE2 LYS 15 52.186 5.380 -3.412
149 HE3 LYS 15 HE1 LYS 15 51.023 5.262 -2.070
150 HZ1 LYS 15 HZ1 LYS 15 50.169 7.069 -4.130
151 HZ2 LYS 15 HZ2 LYS 15 49.344 5.766 -3.419
152 HZ3 LYS 15 HZ3 LYS 15 50.405 5.496 -4.717
153 H LYS 16 HN LYS 16 50.640 11.810 -2.105
154 HA LYS 16 HA LYS 16 50.122 11.762 -5.063
155 HB2 LYS 16 HB2 LYS 16 48.318 11.106 -3.577
156 HB3 LYS 16 HB1 LYS 16 49.080 12.369 -2.496
157 HG2 LYS 16 HG2 LYS 16 48.236 14.148 -4.173
158 HG3 LYS 16 HG1 LYS 16 47.497 12.859 -5.139
159 HD2 LYS 16 HD2 LYS 16 45.846 12.422 -3.498
160 HD3 LYS 16 HD1 LYS 16 46.731 13.333 -2.243
161 HE2 LYS 16 HE2 LYS 16 44.809 14.636 -3.101
162 HE3 LYS 16 HE1 LYS 16 46.347 15.429 -3.515
163 HZ1 LYS 16 HZ1 LYS 16 46.014 13.847 -5.631
164 HZ2 LYS 16 HZ2 LYS 16 45.436 15.443 -5.559
165 HZ3 LYS 16 HZ3 LYS 16 44.389 14.143 -5.244
166 H LYS 17 HN LYS 17 50.531 12.758 -1.747
167 HA LYS 17 HA LYS 17 51.356 15.572 -2.943
168 HB2 LYS 17 HB2 LYS 17 49.991 15.480 -0.645
169 HB3 LYS 17 HB1 LYS 17 51.615 15.189 -0.002
170 HG2 LYS 17 HG2 LYS 17 51.533 17.522 0.062
171 HG3 LYS 17 HG1 LYS 17 52.278 17.241 -1.528
172 HD2 LYS 17 HD2 LYS 17 50.059 17.484 -2.616
173 HD3 LYS 17 HD1 LYS 17 49.301 17.720 -1.024
174 HE2 LYS 17 HE2 LYS 17 50.718 19.729 -0.657
175 HE3 LYS 17 HE1 LYS 17 51.440 19.503 -2.270
176 HZ1 LYS 17 HZ1 LYS 17 48.663 20.244 -1.566
177 HZ2 LYS 17 HZ2 LYS 17 49.016 19.536 -3.070
178 HZ3 LYS 17 HZ3 LYS 17 49.735 21.011 -2.633
179 H TRP 18 HN TRP 18 51.790 12.551 -3.091
180 HA TRP 18 HA TRP 18 54.763 13.228 -3.259
181 HB2 TRP 18 HB2 TRP 18 54.480 12.489 -0.764
182 HB3 TRP 18 HB1 TRP 18 54.541 10.861 -1.440
183 HD1 TRP 18 HD1 TRP 18 56.806 10.162 -2.704
184 HE1 TRP 18 HE1 TRP 18 59.247 11.002 -2.397
185 HE3 TRP 18 HE3 TRP 18 55.854 14.542 -0.236
186 HZ2 TRP 18 HZ2 TRP 18 60.576 13.282 -1.244
187 HZ3 TRP 18 HZ3 TRP 18 57.722 16.035 0.459
188 HH2 TRP 18 HH2 TRP 18 60.080 15.408 -0.041
189 H ARG 19 HN ARG 19 52.304 12.301 -4.720
190 HA ARG 19 HA ARG 19 53.553 9.949 -5.911
191 HB2 ARG 19 HB2 ARG 19 50.929 9.856 -5.830
192 HB3 ARG 19 HB1 ARG 19 51.040 11.054 -7.118
193 HG2 ARG 19 HG2 ARG 19 52.521 9.371 -8.358
194 HG3 ARG 19 HG1 ARG 19 52.075 8.197 -7.102
195 HD2 ARG 19 HD2 ARG 19 50.283 9.565 -9.132
196 HD3 ARG 19 HD1 ARG 19 50.485 7.824 -8.821
197 HE ARG 19 HE ARG 19 48.666 9.590 -7.421
198 HH11 ARG 19 HH11 ARG 19 48.326 9.116 -5.135
199 HH12 ARG 19 HH12 ARG 19 48.552 7.470 -4.642
200 HH21 ARG 19 HH21 ARG 19 50.027 6.501 -7.627
201 HH22 ARG 19 HH22 ARG 19 49.515 5.991 -6.054
202 H LYS 20 HN LYS 20 54.777 12.132 -5.592
203 HA LYS 20 HA LYS 20 56.238 13.242 -7.320
204 HB2 LYS 20 HB2 LYS 20 53.553 13.565 -8.279
205 HB3 LYS 20 HB1 LYS 20 54.954 14.622 -8.788
206 HG2 LYS 20 HG2 LYS 20 56.021 12.906 -10.039
207 HG3 LYS 20 HG1 LYS 20 55.116 11.599 -9.251
208 HD2 LYS 20 HD2 LYS 20 53.014 12.553 -10.371
209 HD3 LYS 20 HD1 LYS 20 54.099 13.606 -11.306
210 HE2 LYS 20 HE2 LYS 20 55.344 11.520 -12.044
211 HE3 LYS 20 HE1 LYS 20 54.049 10.562 -11.288
212 HZ1 LYS 20 HZ1 LYS 20 54.053 11.961 -13.781
213 HZ2 LYS 20 HZ2 LYS 20 52.745 12.435 -12.807
214 HZ3 LYS 20 HZ3 LYS 20 52.966 10.797 -13.199
215 H ALA 21 HN ALA 21 54.354 13.257 -5.041
216 HA ALA 21 HA ALA 21 53.574 14.917 -4.102
217 HB1 ALA 21 HB1 ALA 21 54.518 17.249 -5.248
218 HB2 ALA 21 HB2 ALA 21 55.727 16.277 -4.401
219 HB3 ALA 21 HB3 ALA 21 54.360 16.960 -3.518
220 H VAL 22 HN VAL 22 52.704 13.170 -5.645
221 HA VAL 22 HA VAL 22 51.582 13.260 -7.602
222 HB VAL 22 HB VAL 22 49.463 13.622 -6.128
223 HG11 VAL 22 HG11 VAL 22 50.063 16.073 -5.692
224 HG12 VAL 22 HG12 VAL 22 48.378 15.764 -6.161
225 HG13 VAL 22 HG13 VAL 22 49.533 16.402 -7.353
226 HG21 VAL 22 HG21 VAL 22 49.527 13.087 -8.699
227 HG22 VAL 22 HG22 VAL 22 48.968 14.763 -8.880
228 HG23 VAL 22 HG23 VAL 22 48.004 13.603 -7.947
229 H ILE 23 HN ILE 23 53.636 15.284 -6.845
230 HA ILE 23 HA ILE 23 53.392 16.404 -9.741
231 HB ILE 23 HB ILE 23 51.599 17.825 -8.361
232 HG12 ILE 23 HG12 ILE 23 53.590 19.041 -10.332
233 HG13 ILE 23 HG11 ILE 23 52.125 18.123 -10.752
234 HG21 ILE 23 HG21 ILE 23 54.057 19.575 -7.986
235 HG22 ILE 23 HG22 ILE 23 53.382 18.576 -6.686
236 HG23 ILE 23 HG23 ILE 23 52.401 19.859 -7.403
237 HD11 ILE 23 HD1 ILE 23 52.346 20.888 -9.521
238 HD12 ILE 23 HD2 ILE 23 50.862 19.925 -9.320
239 HD13 ILE 23 HD3 ILE 23 51.421 20.372 -10.949
240 H ALA 24 HN ALA 24 54.978 16.510 -6.659
241 HA ALA 24 HA ALA 24 57.347 17.242 -8.006
242 HB1 ALA 24 HB1 ALA 24 57.976 18.790 -6.276
243 HB2 ALA 24 HB2 ALA 24 56.493 18.198 -5.472
244 HB3 ALA 24 HB3 ALA 24 56.364 19.199 -6.936
245 H TRP 25 HN TRP 25 55.916 15.519 -6.399
246 HA TRP 25 HA TRP 25 56.709 13.440 -5.078
247 HB2 TRP 25 HB2 TRP 25 58.477 13.429 -7.020
248 HB3 TRP 25 HB1 TRP 25 59.568 14.163 -5.842
249 HD1 TRP 25 HD1 TRP 25 60.328 12.727 -3.772
250 HE1 TRP 25 HE1 TRP 25 60.410 10.168 -3.333
251 HE3 TRP 25 HE3 TRP 25 57.216 11.143 -7.528
252 HZ2 TRP 25 HZ2 TRP 25 59.273 7.787 -4.466
253 HZ3 TRP 25 HZ3 TRP 25 56.732 8.724 -7.825
254 HH2 TRP 25 HH2 TRP 25 57.759 7.044 -6.301
Start of MODEL 8
1 H1 ALA 1 HT1 ALA 1 46.671 3.625 16.135
2 H2 ALA 1 HT2 ALA 1 45.897 4.410 14.841
3 H3 ALA 1 HT3 ALA 1 47.459 4.882 15.315
4 HA ALA 1 HA ALA 1 48.170 2.551 14.788
5 HB1 ALA 1 HB1 ALA 1 46.723 1.469 13.063
6 HB2 ALA 1 HB2 ALA 1 45.472 2.691 13.398
7 HB3 ALA 1 HB3 ALA 1 45.966 1.548 14.670
8 H GLY 2 HN GLY 2 46.139 4.454 12.507
9 HA2 GLY 2 HA1 GLY 2 46.737 5.656 10.626
10 HA3 GLY 2 HA2 GLY 2 48.302 5.946 11.412
11 H LYS 3 HN LYS 3 47.076 2.717 10.711
12 HA LYS 3 HA LYS 3 49.482 2.060 9.234
13 HB2 LYS 3 HB2 LYS 3 48.027 0.469 10.604
14 HB3 LYS 3 HB1 LYS 3 46.870 0.503 9.252
15 HG2 LYS 3 HG2 LYS 3 48.831 -0.157 7.732
16 HG3 LYS 3 HG1 LYS 3 49.755 -0.472 9.219
17 HD2 LYS 3 HD2 LYS 3 47.938 -2.039 9.963
18 HD3 LYS 3 HD1 LYS 3 47.132 -1.792 8.395
19 HE2 LYS 3 HE2 LYS 3 48.426 -3.796 8.156
20 HE3 LYS 3 HE1 LYS 3 49.336 -2.528 7.301
21 HZ1 LYS 3 HZ1 LYS 3 50.244 -2.352 9.857
22 HZ2 LYS 3 HZ2 LYS 3 51.030 -3.158 8.583
23 HZ3 LYS 3 HZ3 LYS 3 50.040 -4.025 9.657
24 H GLU 4 HN GLU 4 46.117 2.833 8.355
25 HA GLU 4 HA GLU 4 47.028 3.450 5.588
26 HB2 GLU 4 HB2 GLU 4 44.800 1.462 6.203
27 HB3 GLU 4 HB1 GLU 4 45.181 2.120 4.594
28 HG2 GLU 4 HG2 GLU 4 47.556 1.218 4.926
29 HG3 GLU 4 HG1 GLU 4 46.931 0.351 6.351
30 H LYS 5 HN LYS 5 46.337 5.195 7.638
31 HA LYS 5 HA LYS 5 43.585 6.141 6.822
32 HB2 LYS 5 HB2 LYS 5 45.108 6.969 9.321
33 HB3 LYS 5 HB1 LYS 5 43.377 7.168 8.960
34 HG2 LYS 5 HG2 LYS 5 44.815 4.507 9.379
35 HG3 LYS 5 HG1 LYS 5 43.749 5.311 10.554
36 HD2 LYS 5 HD2 LYS 5 41.938 5.250 8.706
37 HD3 LYS 5 HD1 LYS 5 43.008 4.108 7.859
38 HE2 LYS 5 HE2 LYS 5 43.018 2.655 9.897
39 HE3 LYS 5 HE1 LYS 5 41.858 3.767 10.663
40 HZ1 LYS 5 HZ1 LYS 5 41.010 3.024 8.046
41 HZ2 LYS 5 HZ2 LYS 5 40.200 2.855 9.530
42 HZ3 LYS 5 HZ3 LYS 5 41.271 1.647 9.000
43 H ILE 6 HN ILE 6 46.737 7.370 8.026
44 HA ILE 6 HA ILE 6 46.875 9.264 5.769
45 HB ILE 6 HB ILE 6 47.318 11.196 7.519
46 HG12 ILE 6 HG12 ILE 6 45.530 9.323 9.146
47 HG13 ILE 6 HG11 ILE 6 47.233 9.678 9.509
48 HG21 ILE 6 HG21 ILE 6 44.444 10.226 7.198
49 HG22 ILE 6 HG22 ILE 6 45.362 11.020 5.895
50 HG23 ILE 6 HG23 ILE 6 45.007 11.901 7.395
51 HD11 ILE 6 HD1 ILE 6 44.826 11.510 9.703
52 HD12 ILE 6 HD2 ILE 6 46.455 12.197 9.490
53 HD13 ILE 6 HD3 ILE 6 46.089 11.190 10.911
54 H ARG 7 HN ARG 7 48.768 8.766 5.027
55 HA ARG 7 HA ARG 7 51.216 9.465 6.233
56 HB2 ARG 7 HB2 ARG 7 50.172 6.904 7.300
57 HB3 ARG 7 HB1 ARG 7 51.698 6.645 6.431
58 HG2 ARG 7 HG2 ARG 7 52.877 8.196 7.834
59 HG3 ARG 7 HG1 ARG 7 51.369 8.822 8.538
60 HD2 ARG 7 HD2 ARG 7 50.930 6.636 9.591
61 HD3 ARG 7 HD1 ARG 7 52.402 5.967 8.849
62 HE ARG 7 HE ARG 7 53.140 8.279 10.344
63 HH11 ARG 7 HH11 ARG 7 52.498 4.928 10.505
64 HH12 ARG 7 HH12 ARG 7 52.902 4.780 12.183
65 HH21 ARG 7 HH21 ARG 7 53.398 8.182 12.634
66 HH22 ARG 7 HH22 ARG 7 53.411 6.623 13.388
67 H LYS 8 HN LYS 8 49.040 7.867 4.387
68 HA LYS 8 HA LYS 8 50.159 8.401 1.940
69 HB2 LYS 8 HB2 LYS 8 50.333 5.833 1.270
70 HB3 LYS 8 HB1 LYS 8 51.759 6.738 1.830
71 HG2 LYS 8 HG2 LYS 8 51.791 5.726 3.947
72 HG3 LYS 8 HG1 LYS 8 50.057 5.348 3.922
73 HD2 LYS 8 HD2 LYS 8 50.418 3.577 2.273
74 HD3 LYS 8 HD1 LYS 8 52.139 4.015 2.137
75 HE2 LYS 8 HE2 LYS 8 51.922 2.083 3.624
76 HE3 LYS 8 HE1 LYS 8 52.416 3.502 4.579
77 HZ1 LYS 8 HZ1 LYS 8 50.198 1.893 4.983
78 HZ2 LYS 8 HZ2 LYS 8 49.589 3.363 4.388
79 HZ3 LYS 8 HZ3 LYS 8 50.570 3.346 5.774
80 H LYS 9 HN LYS 9 48.558 5.373 3.114
81 HA LYS 9 HA LYS 9 46.393 4.626 2.643
82 HB2 LYS 9 HB2 LYS 9 45.901 7.009 3.626
83 HB3 LYS 9 HB1 LYS 9 45.614 7.454 1.934
84 HG2 LYS 9 HG2 LYS 9 43.978 5.526 1.778
85 HG3 LYS 9 HG1 LYS 9 44.165 5.301 3.533
86 HD2 LYS 9 HD2 LYS 9 43.303 7.520 3.984
87 HD3 LYS 9 HD1 LYS 9 43.322 7.936 2.253
88 HE2 LYS 9 HE2 LYS 9 41.679 5.637 3.390
89 HE3 LYS 9 HE1 LYS 9 41.038 7.286 3.188
90 HZ1 LYS 9 HZ1 LYS 9 41.366 7.178 0.869
91 HZ2 LYS 9 HZ2 LYS 9 40.636 5.703 1.293
92 HZ3 LYS 9 HZ3 LYS 9 42.303 5.768 0.970
93 H LEU 10 HN LEU 10 48.563 5.888 0.820
94 HA LEU 10 HA LEU 10 49.177 5.517 -1.389
95 HB2 LEU 10 HB2 LEU 10 47.137 3.829 -1.477
96 HB3 LEU 10 HB1 LEU 10 46.263 5.191 -2.207
97 HG LEU 10 HG LEU 10 48.376 5.351 -3.807
98 HD11 LEU 10 HD11 LEU 10 48.534 2.476 -2.782
99 HD12 LEU 10 HD12 LEU 10 49.812 3.711 -2.708
100 HD13 LEU 10 HD13 LEU 10 49.308 3.048 -4.276
101 HD21 LEU 10 HD21 LEU 10 46.094 4.765 -4.550
102 HD22 LEU 10 HD22 LEU 10 46.340 3.085 -4.016
103 HD23 LEU 10 HD23 LEU 10 47.298 3.740 -5.366
104 H LYS 11 HN LYS 11 48.811 7.877 0.094
105 HA LYS 11 HA LYS 11 48.854 10.060 -1.615
106 HB2 LYS 11 HB2 LYS 11 46.483 10.908 -1.846
107 HB3 LYS 11 HB1 LYS 11 46.815 9.528 -2.891
108 HG2 LYS 11 HG2 LYS 11 45.030 8.424 -1.957
109 HG3 LYS 11 HG1 LYS 11 45.894 8.391 -0.409
110 HD2 LYS 11 HD2 LYS 11 43.839 9.449 0.103
111 HD3 LYS 11 HD1 LYS 11 44.980 10.803 -0.053
112 HE2 LYS 11 HE2 LYS 11 43.048 11.457 -1.303
113 HE3 LYS 11 HE1 LYS 11 44.230 10.935 -2.524
114 HZ1 LYS 11 HZ1 LYS 11 42.398 8.930 -1.410
115 HZ2 LYS 11 HZ2 LYS 11 43.076 9.037 -2.964
116 HZ3 LYS 11 HZ3 LYS 11 41.776 10.042 -2.531
117 H ASN 12 HN ASN 12 46.441 9.368 1.046
118 HA ASN 12 HA ASN 12 46.419 10.734 3.023
119 HB2 ASN 12 HB2 ASN 12 48.640 9.673 3.323
120 HB3 ASN 12 HB1 ASN 12 49.453 10.851 2.197
121 HD21 ASN 12 HD21 ASN 12 46.863 11.704 4.607
122 HD22 ASN 12 HD22 ASN 12 47.929 12.669 5.633
123 H GLU 13 HN GLU 13 48.973 11.844 1.354
124 HA GLU 13 HA GLU 13 48.776 13.696 -0.347
125 HB2 GLU 13 HB2 GLU 13 47.876 14.873 2.333
126 HB3 GLU 13 HB1 GLU 13 49.039 15.834 1.407
127 HG2 GLU 13 HG2 GLU 13 47.560 15.950 -0.499
128 HG3 GLU 13 HG1 GLU 13 46.460 14.743 0.207
129 H ILE 14 HN ILE 14 50.416 11.811 -0.202
130 HA ILE 14 HA ILE 14 52.981 13.159 0.451
131 HB ILE 14 HB ILE 14 52.100 12.755 2.920
132 HG12 ILE 14 HG12 ILE 14 54.833 11.714 2.056
133 HG13 ILE 14 HG11 ILE 14 54.410 13.425 2.312
134 HG21 ILE 14 HG21 ILE 14 52.051 10.629 3.821
135 HG22 ILE 14 HG22 ILE 14 53.309 10.006 2.731
136 HG23 ILE 14 HG23 ILE 14 51.646 10.196 2.152
137 HD11 ILE 14 HD1 ILE 14 54.528 11.191 4.374
138 HD12 ILE 14 HD2 ILE 14 53.694 12.732 4.690
139 HD13 ILE 14 HD3 ILE 14 55.440 12.719 4.349
140 H LYS 15 HN LYS 15 51.502 11.872 -1.274
141 HA LYS 15 HA LYS 15 53.077 9.592 -2.178
142 HB2 LYS 15 HB2 LYS 15 50.557 10.040 -0.905
143 HB3 LYS 15 HB1 LYS 15 50.527 8.730 -2.181
144 HG2 LYS 15 HG2 LYS 15 52.049 8.644 0.462
145 HG3 LYS 15 HG1 LYS 15 50.805 7.570 -0.146
146 HD2 LYS 15 HD2 LYS 15 52.467 6.179 -0.847
147 HD3 LYS 15 HD1 LYS 15 52.781 7.349 -2.135
148 HE2 LYS 15 HE2 LYS 15 54.513 8.438 -0.786
149 HE3 LYS 15 HE1 LYS 15 54.075 7.460 0.632
150 HZ1 LYS 15 HZ1 LYS 15 55.235 5.734 -0.128
151 HZ2 LYS 15 HZ2 LYS 15 55.974 6.830 -1.196
152 HZ3 LYS 15 HZ3 LYS 15 54.653 5.895 -1.714
153 H LYS 16 HN LYS 16 50.849 11.823 -2.127
154 HA LYS 16 HA LYS 16 50.033 11.947 -4.995
155 HB2 LYS 16 HB2 LYS 16 48.445 11.062 -3.449
156 HB3 LYS 16 HB1 LYS 16 49.253 12.198 -2.279
157 HG2 LYS 16 HG2 LYS 16 47.067 13.215 -2.700
158 HG3 LYS 16 HG1 LYS 16 48.129 14.090 -3.814
159 HD2 LYS 16 HD2 LYS 16 47.498 12.407 -5.605
160 HD3 LYS 16 HD1 LYS 16 46.288 11.758 -4.473
161 HE2 LYS 16 HE2 LYS 16 45.285 14.051 -4.299
162 HE3 LYS 16 HE1 LYS 16 46.433 14.613 -5.536
163 HZ1 LYS 16 HZ1 LYS 16 44.261 13.978 -6.461
164 HZ2 LYS 16 HZ2 LYS 16 44.486 12.389 -5.904
165 HZ3 LYS 16 HZ3 LYS 16 45.522 13.034 -7.087
166 H LYS 17 HN LYS 17 50.758 12.721 -1.691
167 HA LYS 17 HA LYS 17 51.523 15.589 -2.814
168 HB2 LYS 17 HB2 LYS 17 50.308 15.503 -0.451
169 HB3 LYS 17 HB1 LYS 17 51.947 15.094 0.089
170 HG2 LYS 17 HG2 LYS 17 52.796 17.096 -1.117
171 HG3 LYS 17 HG1 LYS 17 51.112 17.534 -1.496
172 HD2 LYS 17 HD2 LYS 17 50.568 17.777 0.849
173 HD3 LYS 17 HD1 LYS 17 52.137 17.095 1.341
174 HE2 LYS 17 HE2 LYS 17 52.170 19.558 1.525
175 HE3 LYS 17 HE1 LYS 17 53.299 19.010 0.262
176 HZ1 LYS 17 HZ1 LYS 17 52.151 20.104 -1.274
177 HZ2 LYS 17 HZ2 LYS 17 51.254 20.830 -0.027
178 HZ3 LYS 17 HZ3 LYS 17 50.677 19.422 -0.784
179 H TRP 18 HN TRP 18 51.875 12.545 -3.111
180 HA TRP 18 HA TRP 18 54.821 13.179 -3.415
181 HB2 TRP 18 HB2 TRP 18 54.707 12.340 -0.938
182 HB3 TRP 18 HB1 TRP 18 54.700 10.737 -1.686
183 HD1 TRP 18 HD1 TRP 18 56.854 10.141 -3.262
184 HE1 TRP 18 HE1 TRP 18 59.315 10.957 -3.130
185 HE3 TRP 18 HE3 TRP 18 56.179 14.261 -0.296
186 HZ2 TRP 18 HZ2 TRP 18 60.768 13.109 -1.887
187 HZ3 TRP 18 HZ3 TRP 18 58.121 15.677 0.356
188 HH2 TRP 18 HH2 TRP 18 60.413 15.105 -0.435
189 H ARG 19 HN ARG 19 52.307 12.398 -4.764
190 HA ARG 19 HA ARG 19 53.379 10.066 -6.151
191 HB2 ARG 19 HB2 ARG 19 50.764 10.036 -5.901
192 HB3 ARG 19 HB1 ARG 19 50.817 11.326 -7.094
193 HG2 ARG 19 HG2 ARG 19 51.912 9.842 -8.697
194 HG3 ARG 19 HG1 ARG 19 52.046 8.568 -7.465
195 HD2 ARG 19 HD2 ARG 19 50.122 8.118 -8.924
196 HD3 ARG 19 HD1 ARG 19 49.557 8.517 -7.284
197 HE ARG 19 HE ARG 19 48.522 10.431 -8.196
198 HH11 ARG 19 HH11 ARG 19 48.234 9.252 -10.846
199 HH12 ARG 19 HH12 ARG 19 49.094 10.348 -11.876
200 HH21 ARG 19 HH21 ARG 19 50.829 11.850 -9.277
201 HH22 ARG 19 HH22 ARG 19 50.563 11.819 -10.989
202 H LYS 20 HN LYS 20 54.781 12.115 -5.814
203 HA LYS 20 HA LYS 20 56.131 13.376 -7.519
204 HB2 LYS 20 HB2 LYS 20 53.489 13.919 -8.249
205 HB3 LYS 20 HB1 LYS 20 54.871 14.708 -9.086
206 HG2 LYS 20 HG2 LYS 20 54.829 11.684 -9.339
207 HG3 LYS 20 HG1 LYS 20 53.599 12.556 -10.286
208 HD2 LYS 20 HD2 LYS 20 56.489 13.479 -10.353
209 HD3 LYS 20 HD1 LYS 20 55.982 12.088 -11.337
210 HE2 LYS 20 HE2 LYS 20 54.497 14.746 -11.405
211 HE3 LYS 20 HE1 LYS 20 55.875 14.394 -12.475
212 HZ1 LYS 20 HZ1 LYS 20 53.651 12.470 -12.267
213 HZ2 LYS 20 HZ2 LYS 20 54.725 12.743 -13.555
214 HZ3 LYS 20 HZ3 LYS 20 53.474 13.847 -13.239
215 H ALA 21 HN ALA 21 54.301 13.270 -5.182
216 HA ALA 21 HA ALA 21 53.516 14.864 -4.121
217 HB1 ALA 21 HB1 ALA 21 54.376 16.847 -3.418
218 HB2 ALA 21 HB2 ALA 21 54.490 17.274 -5.127
219 HB3 ALA 21 HB3 ALA 21 55.705 16.213 -4.395
220 H VAL 22 HN VAL 22 52.599 13.280 -5.692
221 HA VAL 22 HA VAL 22 51.355 13.484 -7.610
222 HB VAL 22 HB VAL 22 49.344 13.851 -5.962
223 HG11 VAL 22 HG11 VAL 22 48.313 16.017 -5.902
224 HG12 VAL 22 HG12 VAL 22 49.409 16.650 -7.148
225 HG13 VAL 22 HG13 VAL 22 50.027 16.285 -5.529
226 HG21 VAL 22 HG21 VAL 22 47.767 13.992 -7.699
227 HG22 VAL 22 HG22 VAL 22 49.204 13.314 -8.491
228 HG23 VAL 22 HG23 VAL 22 48.800 15.031 -8.697
229 H ILE 23 HN ILE 23 53.532 15.367 -6.844
230 HA ILE 23 HA ILE 23 53.205 16.693 -9.648
231 HB ILE 23 HB ILE 23 51.694 18.095 -7.789
232 HG12 ILE 23 HG12 ILE 23 51.944 20.057 -9.525
233 HG13 ILE 23 HG11 ILE 23 53.023 18.942 -10.394
234 HG21 ILE 23 HG21 ILE 23 53.872 18.841 -6.686
235 HG22 ILE 23 HG22 ILE 23 52.769 20.142 -7.177
236 HG23 ILE 23 HG23 ILE 23 54.203 19.770 -8.163
237 HD11 ILE 23 HD1 ILE 23 51.258 17.352 -10.740
238 HD12 ILE 23 HD2 ILE 23 50.553 18.940 -11.104
239 HD13 ILE 23 HD3 ILE 23 50.201 18.150 -9.553
240 H ALA 24 HN ALA 24 54.917 16.594 -6.591
241 HA ALA 24 HA ALA 24 57.313 17.147 -8.014
242 HB1 ALA 24 HB1 ALA 24 56.520 18.085 -5.468
243 HB2 ALA 24 HB2 ALA 24 56.488 19.137 -6.907
244 HB3 ALA 24 HB3 ALA 24 58.051 18.600 -6.217
245 H TRP 25 HN TRP 25 55.834 15.443 -6.436
246 HA TRP 25 HA TRP 25 56.455 13.437 -4.982
247 HB2 TRP 25 HB2 TRP 25 58.926 12.555 -5.240
248 HB3 TRP 25 HB1 TRP 25 57.794 12.323 -6.565
249 HD1 TRP 25 HD1 TRP 25 58.050 14.068 -8.673
250 HE1 TRP 25 HE1 TRP 25 60.147 15.269 -9.620
251 HE3 TRP 25 HE3 TRP 25 61.153 13.586 -4.627
252 HZ2 TRP 25 HZ2 TRP 25 62.803 15.917 -8.721
253 HZ3 TRP 25 HZ3 TRP 25 63.466 14.504 -4.698
254 HH2 TRP 25 HH2 TRP 25 64.294 15.666 -6.739
Start of MODEL 9
1 H1 ALA 1 HT1 ALA 1 44.872 1.610 12.678
2 H2 ALA 1 HT2 ALA 1 44.775 2.482 11.223
3 H3 ALA 1 HT3 ALA 1 43.398 2.297 12.201
4 HA ALA 1 HA ALA 1 43.957 4.363 12.799
5 HB1 ALA 1 HB1 ALA 1 45.791 2.661 14.525
6 HB2 ALA 1 HB2 ALA 1 44.047 2.904 14.791
7 HB3 ALA 1 HB3 ALA 1 45.168 4.279 14.928
8 H GLY 2 HN GLY 2 45.980 2.962 10.778
9 HA2 GLY 2 HA1 GLY 2 47.528 5.256 10.246
10 HA3 GLY 2 HA2 GLY 2 48.514 4.214 11.292
11 H LYS 3 HN LYS 3 47.153 1.775 10.174
12 HA LYS 3 HA LYS 3 49.083 1.060 8.252
13 HB2 LYS 3 HB2 LYS 3 47.464 -0.453 9.517
14 HB3 LYS 3 HB1 LYS 3 46.239 -0.012 8.306
15 HG2 LYS 3 HG2 LYS 3 47.967 -0.742 6.528
16 HG3 LYS 3 HG1 LYS 3 48.871 -1.478 7.871
17 HD2 LYS 3 HD2 LYS 3 46.000 -2.108 7.052
18 HD3 LYS 3 HD1 LYS 3 47.417 -3.163 6.842
19 HE2 LYS 3 HE2 LYS 3 46.039 -2.338 9.419
20 HE3 LYS 3 HE1 LYS 3 46.374 -3.977 8.815
21 HZ1 LYS 3 HZ1 LYS 3 48.727 -3.587 9.125
22 HZ2 LYS 3 HZ2 LYS 3 47.903 -3.310 10.584
23 HZ3 LYS 3 HZ3 LYS 3 48.440 -2.000 9.645
24 H GLU 4 HN GLU 4 45.955 2.674 7.863
25 HA GLU 4 HA GLU 4 46.749 3.563 5.168
26 HB2 GLU 4 HB2 GLU 4 44.588 2.679 4.155
27 HB3 GLU 4 HB1 GLU 4 45.820 1.444 4.511
28 HG2 GLU 4 HG2 GLU 4 44.685 0.849 6.595
29 HG3 GLU 4 HG1 GLU 4 43.508 2.163 6.365
30 H LYS 5 HN LYS 5 46.525 5.158 7.245
31 HA LYS 5 HA LYS 5 43.819 6.473 6.953
32 HB2 LYS 5 HB2 LYS 5 44.345 5.559 9.258
33 HB3 LYS 5 HB1 LYS 5 45.732 6.673 9.317
34 HG2 LYS 5 HG2 LYS 5 44.242 8.601 9.032
35 HG3 LYS 5 HG1 LYS 5 42.838 7.521 8.859
36 HD2 LYS 5 HD2 LYS 5 43.323 6.619 11.162
37 HD3 LYS 5 HD1 LYS 5 44.597 7.852 11.327
38 HE2 LYS 5 HE2 LYS 5 42.959 9.647 11.045
39 HE3 LYS 5 HE1 LYS 5 41.669 8.461 10.731
40 HZ1 LYS 5 HZ1 LYS 5 41.449 8.031 12.899
41 HZ2 LYS 5 HZ2 LYS 5 42.297 9.480 13.157
42 HZ3 LYS 5 HZ3 LYS 5 43.122 7.994 13.180
43 H ILE 6 HN ILE 6 47.268 7.007 7.733
44 HA ILE 6 HA ILE 6 47.451 9.113 5.719
45 HB ILE 6 HB ILE 6 48.409 10.776 7.542
46 HG12 ILE 6 HG12 ILE 6 46.574 9.021 9.245
47 HG13 ILE 6 HG11 ILE 6 48.333 9.183 9.436
48 HG21 ILE 6 HG21 ILE 6 46.219 11.002 6.177
49 HG22 ILE 6 HG22 ILE 6 46.322 11.908 7.701
50 HG23 ILE 6 HG23 ILE 6 45.391 10.394 7.631
51 HD11 ILE 6 HD1 ILE 6 47.866 11.735 9.695
52 HD12 ILE 6 HD2 ILE 6 47.448 10.668 11.058
53 HD13 ILE 6 HD3 ILE 6 46.174 11.249 9.962
54 H ARG 7 HN ARG 7 49.036 8.191 4.758
55 HA ARG 7 HA ARG 7 51.738 8.363 5.624
56 HB2 ARG 7 HB2 ARG 7 51.284 6.620 7.285
57 HB3 ARG 7 HB1 ARG 7 50.398 5.662 6.076
58 HG2 ARG 7 HG2 ARG 7 52.383 5.085 4.903
59 HG3 ARG 7 HG1 ARG 7 53.324 6.387 5.671
60 HD2 ARG 7 HD2 ARG 7 53.257 5.240 7.821
61 HD3 ARG 7 HD1 ARG 7 52.154 4.002 7.172
62 HE ARG 7 HE ARG 7 54.539 4.052 5.582
63 HH11 ARG 7 HH11 ARG 7 56.552 3.419 6.813
64 HH12 ARG 7 HH12 ARG 7 56.330 2.099 7.914
65 HH21 ARG 7 HH21 ARG 7 52.866 2.261 7.825
66 HH22 ARG 7 HH22 ARG 7 54.243 1.442 8.485
67 H LYS 8 HN LYS 8 49.130 7.761 3.863
68 HA LYS 8 HA LYS 8 50.025 8.032 1.379
69 HB2 LYS 8 HB2 LYS 8 49.877 5.645 0.467
70 HB3 LYS 8 HB1 LYS 8 51.408 6.144 1.214
71 HG2 LYS 8 HG2 LYS 8 51.275 4.425 2.729
72 HG3 LYS 8 HG1 LYS 8 49.719 5.029 3.325
73 HD2 LYS 8 HD2 LYS 8 48.548 3.804 1.510
74 HD3 LYS 8 HD1 LYS 8 50.112 3.197 0.916
75 HE2 LYS 8 HE2 LYS 8 50.517 2.066 3.066
76 HE3 LYS 8 HE1 LYS 8 48.987 2.708 3.709
77 HZ1 LYS 8 HZ1 LYS 8 48.273 0.701 2.965
78 HZ2 LYS 8 HZ2 LYS 8 49.447 0.587 1.741
79 HZ3 LYS 8 HZ3 LYS 8 48.079 1.570 1.521
80 H LYS 9 HN LYS 9 48.094 5.225 2.633
81 HA LYS 9 HA LYS 9 45.802 4.870 2.267
82 HB2 LYS 9 HB2 LYS 9 45.903 7.031 3.687
83 HB3 LYS 9 HB1 LYS 9 45.496 7.839 2.174
84 HG2 LYS 9 HG2 LYS 9 43.513 6.216 1.979
85 HG3 LYS 9 HG1 LYS 9 43.860 5.746 3.659
86 HD2 LYS 9 HD2 LYS 9 43.530 8.049 4.416
87 HD3 LYS 9 HD1 LYS 9 43.309 8.602 2.740
88 HE2 LYS 9 HE2 LYS 9 41.129 8.289 3.905
89 HE3 LYS 9 HE1 LYS 9 41.301 7.186 2.518
90 HZ1 LYS 9 HZ1 LYS 9 42.333 6.133 5.002
91 HZ2 LYS 9 HZ2 LYS 9 41.317 5.407 3.849
92 HZ3 LYS 9 HZ3 LYS 9 40.665 6.433 5.036
93 H LEU 10 HN LEU 10 47.861 5.965 0.340
94 HA LEU 10 HA LEU 10 48.165 6.026 -1.969
95 HB2 LEU 10 HB2 LEU 10 45.127 6.160 -2.311
96 HB3 LEU 10 HB1 LEU 10 46.346 5.809 -3.548
97 HG LEU 10 HG LEU 10 45.553 4.032 -1.201
98 HD11 LEU 10 HD11 LEU 10 44.940 2.464 -2.995
99 HD12 LEU 10 HD12 LEU 10 45.491 3.631 -4.222
100 HD13 LEU 10 HD13 LEU 10 44.081 4.008 -3.204
101 HD21 LEU 10 HD21 LEU 10 47.904 3.888 -3.132
102 HD22 LEU 10 HD22 LEU 10 47.257 2.436 -2.330
103 HD23 LEU 10 HD23 LEU 10 47.927 3.766 -1.357
104 H LYS 11 HN LYS 11 48.559 7.997 -0.224
105 HA LYS 11 HA LYS 11 48.596 10.448 -1.361
106 HB2 LYS 11 HB2 LYS 11 46.544 11.663 -0.663
107 HB3 LYS 11 HB1 LYS 11 46.237 10.553 -1.995
108 HG2 LYS 11 HG2 LYS 11 45.650 8.900 0.123
109 HG3 LYS 11 HG1 LYS 11 45.255 10.468 0.847
110 HD2 LYS 11 HD2 LYS 11 43.821 10.965 -1.167
111 HD3 LYS 11 HD1 LYS 11 44.115 9.301 -1.727
112 HE2 LYS 11 HE2 LYS 11 43.151 8.421 0.379
113 HE3 LYS 11 HE1 LYS 11 42.853 10.085 0.938
114 HZ1 LYS 11 HZ1 LYS 11 40.885 9.061 -0.075
115 HZ2 LYS 11 HZ2 LYS 11 41.723 8.881 -1.542
116 HZ3 LYS 11 HZ3 LYS 11 41.392 10.431 -0.934
117 H ASN 12 HN ASN 12 46.670 9.769 1.677
118 HA ASN 12 HA ASN 12 47.495 10.579 3.851
119 HB2 ASN 12 HB2 ASN 12 49.787 9.528 3.148
120 HB3 ASN 12 HB1 ASN 12 50.207 11.099 2.388
121 HD21 ASN 12 HD21 ASN 12 48.217 11.917 4.947
122 HD22 ASN 12 HD22 ASN 12 49.438 12.125 6.206
123 H GLU 13 HN GLU 13 48.087 11.624 0.847
124 HA GLU 13 HA GLU 13 48.349 13.410 -0.435
125 HB2 GLU 13 HB2 GLU 13 47.455 14.978 2.104
126 HB3 GLU 13 HB1 GLU 13 47.667 15.691 0.490
127 HG2 GLU 13 HG2 GLU 13 45.894 14.208 -0.403
128 HG3 GLU 13 HG1 GLU 13 45.684 13.489 1.213
129 H ILE 14 HN ILE 14 50.316 12.185 -0.144
130 HA ILE 14 HA ILE 14 52.534 13.901 0.397
131 HB ILE 14 HB ILE 14 51.300 13.103 2.968
132 HG12 ILE 14 HG12 ILE 14 52.263 15.371 2.241
133 HG13 ILE 14 HG11 ILE 14 52.640 14.833 3.889
134 HG21 ILE 14 HG21 ILE 14 53.339 12.406 4.186
135 HG22 ILE 14 HG22 ILE 14 54.176 12.166 2.643
136 HG23 ILE 14 HG23 ILE 14 52.750 11.176 3.053
137 HD11 ILE 14 HD1 ILE 14 54.574 15.809 2.424
138 HD12 ILE 14 HD2 ILE 14 54.532 14.240 1.587
139 HD13 ILE 14 HD3 ILE 14 54.883 14.309 3.330
140 H LYS 15 HN LYS 15 51.274 12.115 -1.112
141 HA LYS 15 HA LYS 15 53.216 9.971 -1.438
142 HB2 LYS 15 HB2 LYS 15 51.443 9.417 0.170
143 HB3 LYS 15 HB1 LYS 15 50.350 10.080 -1.102
144 HG2 LYS 15 HG2 LYS 15 50.508 7.454 -0.896
145 HG3 LYS 15 HG1 LYS 15 50.730 8.131 -2.516
146 HD2 LYS 15 HD2 LYS 15 53.098 7.857 -2.439
147 HD3 LYS 15 HD1 LYS 15 53.090 7.596 -0.678
148 HE2 LYS 15 HE2 LYS 15 51.821 5.475 -1.026
149 HE3 LYS 15 HE1 LYS 15 51.900 5.735 -2.784
150 HZ1 LYS 15 HZ1 LYS 15 54.432 5.940 -2.313
151 HZ2 LYS 15 HZ2 LYS 15 53.716 4.403 -2.413
152 HZ3 LYS 15 HZ3 LYS 15 54.068 5.082 -0.895
153 H LYS 16 HN LYS 16 50.776 11.888 -2.111
154 HA LYS 16 HA LYS 16 50.629 11.508 -5.103
155 HB2 LYS 16 HB2 LYS 16 49.251 11.747 -2.698
156 HB3 LYS 16 HB1 LYS 16 48.272 12.279 -4.133
157 HG2 LYS 16 HG2 LYS 16 49.537 9.464 -3.954
158 HG3 LYS 16 HG1 LYS 16 47.874 9.763 -3.430
159 HD2 LYS 16 HD2 LYS 16 47.392 10.739 -5.702
160 HD3 LYS 16 HD1 LYS 16 49.013 10.212 -6.211
161 HE2 LYS 16 HE2 LYS 16 48.462 7.883 -5.739
162 HE3 LYS 16 HE1 LYS 16 46.884 8.355 -5.063
163 HZ1 LYS 16 HZ1 LYS 16 47.775 8.776 -7.875
164 HZ2 LYS 16 HZ2 LYS 16 46.275 9.247 -7.231
165 HZ3 LYS 16 HZ3 LYS 16 46.673 7.599 -7.347
166 H LYS 17 HN LYS 17 50.469 12.750 -1.906
167 HA LYS 17 HA LYS 17 50.895 15.582 -3.205
168 HB2 LYS 17 HB2 LYS 17 49.424 15.335 -0.979
169 HB3 LYS 17 HB1 LYS 17 51.029 15.351 -0.240
170 HG2 LYS 17 HG2 LYS 17 51.528 17.427 -1.578
171 HG3 LYS 17 HG1 LYS 17 49.807 17.453 -2.038
172 HD2 LYS 17 HD2 LYS 17 49.148 17.576 0.331
173 HD3 LYS 17 HD1 LYS 17 50.854 17.475 0.829
174 HE2 LYS 17 HE2 LYS 17 51.352 19.593 -0.295
175 HE3 LYS 17 HE1 LYS 17 49.691 19.681 -0.929
176 HZ1 LYS 17 HZ1 LYS 17 49.642 19.285 1.873
177 HZ2 LYS 17 HZ2 LYS 17 49.017 20.578 0.966
178 HZ3 LYS 17 HZ3 LYS 17 50.624 20.620 1.513
179 H TRP 18 HN TRP 18 51.880 12.546 -3.069
180 HA TRP 18 HA TRP 18 54.690 13.681 -3.154
181 HB2 TRP 18 HB2 TRP 18 54.422 13.130 -0.624
182 HB3 TRP 18 HB1 TRP 18 54.676 11.461 -1.142
183 HD1 TRP 18 HD1 TRP 18 57.064 10.904 -2.278
184 HE1 TRP 18 HE1 TRP 18 59.384 12.039 -2.010
185 HE3 TRP 18 HE3 TRP 18 55.566 15.354 -0.229
186 HZ2 TRP 18 HZ2 TRP 18 60.424 14.536 -1.032
187 HZ3 TRP 18 HZ3 TRP 18 57.243 17.093 0.372
188 HH2 TRP 18 HH2 TRP 18 59.668 16.689 -0.028
189 H ARG 19 HN ARG 19 52.427 12.158 -4.586
190 HA ARG 19 HA ARG 19 54.101 9.919 -5.415
191 HB2 ARG 19 HB2 ARG 19 51.491 9.497 -5.513
192 HB3 ARG 19 HB1 ARG 19 51.596 10.491 -6.965
193 HG2 ARG 19 HG2 ARG 19 53.357 8.876 -7.820
194 HG3 ARG 19 HG1 ARG 19 52.998 7.850 -6.413
195 HD2 ARG 19 HD2 ARG 19 50.626 7.715 -7.108
196 HD3 ARG 19 HD1 ARG 19 50.979 8.746 -8.517
197 HE ARG 19 HE ARG 19 52.755 6.515 -8.579
198 HH11 ARG 19 HH11 ARG 19 51.668 6.749 -11.069
199 HH12 ARG 19 HH12 ARG 19 50.310 5.676 -11.149
200 HH21 ARG 19 HH21 ARG 19 50.023 5.357 -7.708
201 HH22 ARG 19 HH22 ARG 19 49.378 4.889 -9.245
202 H LYS 20 HN LYS 20 55.000 12.273 -5.308
203 HA LYS 20 HA LYS 20 56.469 13.340 -7.046
204 HB2 LYS 20 HB2 LYS 20 53.854 13.190 -8.235
205 HB3 LYS 20 HB1 LYS 20 55.174 14.311 -8.802
206 HG2 LYS 20 HG2 LYS 20 55.828 11.340 -8.736
207 HG3 LYS 20 HG1 LYS 20 54.785 11.902 -10.060
208 HD2 LYS 20 HD2 LYS 20 57.365 13.380 -9.423
209 HD3 LYS 20 HD1 LYS 20 57.411 11.886 -10.384
210 HE2 LYS 20 HE2 LYS 20 55.743 12.901 -11.967
211 HE3 LYS 20 HE1 LYS 20 55.840 14.419 -11.045
212 HZ1 LYS 20 HZ1 LYS 20 58.418 13.932 -11.455
213 HZ2 LYS 20 HZ2 LYS 20 57.465 14.842 -12.526
214 HZ3 LYS 20 HZ3 LYS 20 57.779 13.203 -12.847
215 H ALA 21 HN ALA 21 54.410 13.425 -4.921
216 HA ALA 21 HA ALA 21 53.385 15.113 -4.260
217 HB1 ALA 21 HB1 ALA 21 53.856 17.330 -4.061
218 HB2 ALA 21 HB2 ALA 21 54.095 17.327 -5.812
219 HB3 ALA 21 HB3 ALA 21 55.355 16.691 -4.736
220 H VAL 22 HN VAL 22 52.862 13.014 -5.627
221 HA VAL 22 HA VAL 22 51.864 12.706 -7.631
222 HB VAL 22 HB VAL 22 49.583 13.035 -6.338
223 HG11 VAL 22 HG11 VAL 22 49.444 15.555 -8.023
224 HG12 VAL 22 HG12 VAL 22 49.843 15.577 -6.296
225 HG13 VAL 22 HG13 VAL 22 48.265 14.970 -6.832
226 HG21 VAL 22 HG21 VAL 22 48.286 12.594 -8.239
227 HG22 VAL 22 HG22 VAL 22 49.908 12.050 -8.716
228 HG23 VAL 22 HG23 VAL 22 49.287 13.612 -9.289
229 H ILE 23 HN ILE 23 53.616 15.078 -7.020
230 HA ILE 23 HA ILE 23 53.398 15.844 -10.067
231 HB ILE 23 HB ILE 23 51.661 17.335 -8.388
232 HG12 ILE 23 HG12 ILE 23 51.388 16.814 -10.822
233 HG13 ILE 23 HG11 ILE 23 51.007 18.493 -10.397
234 HG21 ILE 23 HG21 ILE 23 53.914 19.162 -9.325
235 HG22 ILE 23 HG22 ILE 23 53.547 18.739 -7.639
236 HG23 ILE 23 HG23 ILE 23 52.371 19.664 -8.598
237 HD11 ILE 23 HD1 ILE 23 52.938 19.339 -11.449
238 HD12 ILE 23 HD2 ILE 23 52.494 17.995 -12.524
239 HD13 ILE 23 HD3 ILE 23 53.800 17.788 -11.341
240 H ALA 24 HN ALA 24 54.864 16.469 -6.948
241 HA ALA 24 HA ALA 24 57.277 17.082 -8.286
242 HB1 ALA 24 HB1 ALA 24 56.095 18.439 -6.083
243 HB2 ALA 24 HB2 ALA 24 56.180 19.154 -7.717
244 HB3 ALA 24 HB3 ALA 24 57.670 18.949 -6.745
245 H TRP 25 HN TRP 25 55.824 15.590 -6.483
246 HA TRP 25 HA TRP 25 56.609 13.830 -4.772
247 HB2 TRP 25 HB2 TRP 25 58.678 13.900 -6.496
248 HB3 TRP 25 HB1 TRP 25 59.502 14.642 -5.119
249 HD1 TRP 25 HD1 TRP 25 57.075 11.613 -5.457
250 HE1 TRP 25 HE1 TRP 25 58.077 9.595 -4.163
251 HE3 TRP 25 HE3 TRP 25 61.402 13.789 -3.798
252 HZ2 TRP 25 HZ2 TRP 25 60.446 9.031 -2.627
253 HZ3 TRP 25 HZ3 TRP 25 63.020 12.490 -2.421
254 HH2 TRP 25 HH2 TRP 25 62.547 10.116 -1.835
Start of MODEL 10
1 H1 ALA 1 HT1 ALA 1 45.215 4.611 15.168
2 H2 ALA 1 HT2 ALA 1 43.721 4.119 14.525
3 H3 ALA 1 HT3 ALA 1 44.260 5.716 14.307
4 HA ALA 1 HA ALA 1 45.823 3.442 13.322
5 HB1 ALA 1 HB1 ALA 1 43.644 4.900 11.791
6 HB2 ALA 1 HB2 ALA 1 43.470 3.268 12.480
7 HB3 ALA 1 HB3 ALA 1 44.670 3.572 11.200
8 H GLY 2 HN GLY 2 46.476 4.411 10.918
9 HA2 GLY 2 HA1 GLY 2 47.023 7.210 10.785
10 HA3 GLY 2 HA2 GLY 2 48.424 6.390 11.504
11 H LYS 3 HN LYS 3 48.160 3.919 10.068
12 HA LYS 3 HA LYS 3 49.654 4.595 7.719
13 HB2 LYS 3 HB2 LYS 3 48.153 2.043 8.431
14 HB3 LYS 3 HB1 LYS 3 49.349 2.198 7.121
15 HG2 LYS 3 HG2 LYS 3 50.984 3.054 8.929
16 HG3 LYS 3 HG1 LYS 3 49.799 2.467 10.120
17 HD2 LYS 3 HD2 LYS 3 51.177 0.803 7.965
18 HD3 LYS 3 HD1 LYS 3 51.492 0.735 9.714
19 HE2 LYS 3 HE2 LYS 3 48.964 0.178 9.956
20 HE3 LYS 3 HE1 LYS 3 49.009 -0.146 8.206
21 HZ1 LYS 3 HZ1 LYS 3 49.424 -2.141 9.536
22 HZ2 LYS 3 HZ2 LYS 3 50.791 -1.408 10.230
23 HZ3 LYS 3 HZ3 LYS 3 50.759 -1.750 8.566
24 H GLU 4 HN GLU 4 46.630 2.697 7.601
25 HA GLU 4 HA GLU 4 45.997 3.854 4.976
26 HB2 GLU 4 HB2 GLU 4 44.513 1.921 6.802
27 HB3 GLU 4 HB1 GLU 4 43.944 2.406 5.187
28 HG2 GLU 4 HG2 GLU 4 45.158 0.314 4.957
29 HG3 GLU 4 HG1 GLU 4 46.158 1.607 4.253
30 H LYS 5 HN LYS 5 46.132 6.027 6.426
31 HA LYS 5 HA LYS 5 43.367 7.001 6.440
32 HB2 LYS 5 HB2 LYS 5 43.585 5.947 8.711
33 HB3 LYS 5 HB1 LYS 5 44.928 7.065 9.052
34 HG2 LYS 5 HG2 LYS 5 43.452 8.997 8.710
35 HG3 LYS 5 HG1 LYS 5 42.107 7.918 8.267
36 HD2 LYS 5 HD2 LYS 5 42.088 6.937 10.498
37 HD3 LYS 5 HD1 LYS 5 43.543 7.854 10.955
38 HE2 LYS 5 HE2 LYS 5 42.363 9.956 10.809
39 HE3 LYS 5 HE1 LYS 5 40.946 9.174 10.069
40 HZ1 LYS 5 HZ1 LYS 5 40.850 9.672 12.547
41 HZ2 LYS 5 HZ2 LYS 5 41.941 8.385 12.748
42 HZ3 LYS 5 HZ3 LYS 5 40.412 8.108 12.060
43 H ILE 6 HN ILE 6 46.758 7.563 7.427
44 HA ILE 6 HA ILE 6 46.914 9.933 5.761
45 HB ILE 6 HB ILE 6 45.640 10.950 7.589
46 HG12 ILE 6 HG12 ILE 6 48.585 11.749 7.753
47 HG13 ILE 6 HG11 ILE 6 47.445 12.271 6.490
48 HG21 ILE 6 HG21 ILE 6 47.848 10.446 9.599
49 HG22 ILE 6 HG22 ILE 6 46.664 9.154 9.297
50 HG23 ILE 6 HG23 ILE 6 46.118 10.747 9.863
51 HD11 ILE 6 HD1 ILE 6 47.277 12.848 9.475
52 HD12 ILE 6 HD2 ILE 6 45.966 13.200 8.323
53 HD13 ILE 6 HD3 ILE 6 47.538 14.021 8.162
54 H ARG 7 HN ARG 7 48.671 8.727 4.922
55 HA ARG 7 HA ARG 7 51.222 9.365 6.087
56 HB2 ARG 7 HB2 ARG 7 50.461 7.504 7.725
57 HB3 ARG 7 HB1 ARG 7 50.518 6.401 6.338
58 HG2 ARG 7 HG2 ARG 7 52.671 6.112 7.227
59 HG3 ARG 7 HG1 ARG 7 52.975 7.379 6.020
60 HD2 ARG 7 HD2 ARG 7 52.823 9.114 7.770
61 HD3 ARG 7 HD1 ARG 7 52.426 7.876 8.984
62 HE ARG 7 HE ARG 7 54.835 6.999 7.946
63 HH11 ARG 7 HH11 ARG 7 55.740 7.406 10.333
64 HH12 ARG 7 HH12 ARG 7 56.356 9.017 10.490
65 HH21 ARG 7 HH21 ARG 7 54.732 10.195 7.661
66 HH22 ARG 7 HH22 ARG 7 55.784 10.597 8.976
67 H LYS 8 HN LYS 8 48.993 7.785 4.223
68 HA LYS 8 HA LYS 8 49.444 8.187 1.767
69 HB2 LYS 8 HB2 LYS 8 50.944 6.665 0.676
70 HB3 LYS 8 HB1 LYS 8 51.835 7.767 1.736
71 HG2 LYS 8 HG2 LYS 8 51.459 5.690 3.495
72 HG3 LYS 8 HG1 LYS 8 51.448 4.781 1.970
73 HD2 LYS 8 HD2 LYS 8 53.623 5.941 1.362
74 HD3 LYS 8 HD1 LYS 8 53.660 6.592 3.018
75 HE2 LYS 8 HE2 LYS 8 54.986 4.541 2.947
76 HE3 LYS 8 HE1 LYS 8 53.509 4.241 3.893
77 HZ1 LYS 8 HZ1 LYS 8 52.903 3.722 1.225
78 HZ2 LYS 8 HZ2 LYS 8 53.037 2.604 2.498
79 HZ3 LYS 8 HZ3 LYS 8 54.388 2.963 1.532
80 H LYS 9 HN LYS 9 47.320 7.513 2.690
81 HA LYS 9 HA LYS 9 46.700 4.691 2.777
82 HB2 LYS 9 HB2 LYS 9 45.248 6.583 3.675
83 HB3 LYS 9 HB1 LYS 9 44.864 6.983 1.985
84 HG2 LYS 9 HG2 LYS 9 43.763 4.884 1.628
85 HG3 LYS 9 HG1 LYS 9 44.427 4.192 3.126
86 HD2 LYS 9 HD2 LYS 9 43.077 5.701 4.480
87 HD3 LYS 9 HD1 LYS 9 42.515 6.564 3.028
88 HE2 LYS 9 HE2 LYS 9 42.007 3.615 3.622
89 HE3 LYS 9 HE1 LYS 9 40.825 4.925 3.856
90 HZ1 LYS 9 HZ1 LYS 9 41.550 3.562 1.465
91 HZ2 LYS 9 HZ2 LYS 9 41.795 5.234 1.291
92 HZ3 LYS 9 HZ3 LYS 9 40.268 4.639 1.740
93 H LEU 10 HN LEU 10 48.022 6.531 0.615
94 HA LEU 10 HA LEU 10 48.702 5.619 -1.528
95 HB2 LEU 10 HB2 LEU 10 46.706 4.015 -1.679
96 HB3 LEU 10 HB1 LEU 10 45.704 5.428 -2.088
97 HG LEU 10 HG LEU 10 47.583 5.827 -3.956
98 HD11 LEU 10 HD11 LEU 10 49.113 4.049 -3.214
99 HD12 LEU 10 HD12 LEU 10 48.466 3.665 -4.824
100 HD13 LEU 10 HD13 LEU 10 47.821 2.838 -3.388
101 HD21 LEU 10 HD21 LEU 10 46.275 4.421 -5.529
102 HD22 LEU 10 HD22 LEU 10 45.207 5.323 -4.427
103 HD23 LEU 10 HD23 LEU 10 45.515 3.591 -4.151
104 H LYS 11 HN LYS 11 48.598 7.993 -0.034
105 HA LYS 11 HA LYS 11 48.832 10.142 -1.612
106 HB2 LYS 11 HB2 LYS 11 46.647 11.255 -1.970
107 HB3 LYS 11 HB1 LYS 11 46.671 9.756 -2.897
108 HG2 LYS 11 HG2 LYS 11 45.529 8.707 -0.756
109 HG3 LYS 11 HG1 LYS 11 45.202 10.394 -0.315
110 HD2 LYS 11 HD2 LYS 11 44.123 10.709 -2.575
111 HD3 LYS 11 HD1 LYS 11 44.314 8.961 -2.854
112 HE2 LYS 11 HE2 LYS 11 42.968 8.476 -0.843
113 HE3 LYS 11 HE1 LYS 11 42.799 10.219 -0.524
114 HZ1 LYS 11 HZ1 LYS 11 41.637 10.479 -2.598
115 HZ2 LYS 11 HZ2 LYS 11 40.877 9.257 -1.696
116 HZ3 LYS 11 HZ3 LYS 11 41.880 8.851 -3.005
117 H ASN 12 HN ASN 12 46.455 9.393 1.080
118 HA ASN 12 HA ASN 12 46.463 10.722 3.092
119 HB2 ASN 12 HB2 ASN 12 48.685 9.685 3.360
120 HB3 ASN 12 HB1 ASN 12 49.463 10.838 2.195
121 HD21 ASN 12 HD21 ASN 12 48.751 13.325 3.034
122 HD22 ASN 12 HD22 ASN 12 49.119 13.581 4.739
123 H GLU 13 HN GLU 13 48.944 11.874 1.342
124 HA GLU 13 HA GLU 13 48.758 13.739 -0.316
125 HB2 GLU 13 HB2 GLU 13 47.865 14.924 2.375
126 HB3 GLU 13 HB1 GLU 13 48.975 15.893 1.394
127 HG2 GLU 13 HG2 GLU 13 47.437 15.913 -0.474
128 HG3 GLU 13 HG1 GLU 13 46.381 14.717 0.315
129 H ILE 14 HN ILE 14 50.401 11.870 -0.175
130 HA ILE 14 HA ILE 14 52.954 13.207 0.620
131 HB ILE 14 HB ILE 14 51.894 12.695 3.028
132 HG12 ILE 14 HG12 ILE 14 54.728 11.805 2.339
133 HG13 ILE 14 HG11 ILE 14 54.212 13.491 2.580
134 HG21 ILE 14 HG21 ILE 14 51.633 10.125 2.142
135 HG22 ILE 14 HG22 ILE 14 51.874 10.537 3.850
136 HG23 ILE 14 HG23 ILE 14 53.253 10.019 2.858
137 HD11 ILE 14 HD1 ILE 14 55.131 12.778 4.676
138 HD12 ILE 14 HD2 ILE 14 54.239 11.240 4.627
139 HD13 ILE 14 HD3 ILE 14 53.365 12.768 4.888
140 H LYS 15 HN LYS 15 51.483 11.922 -1.188
141 HA LYS 15 HA LYS 15 53.114 9.663 -2.048
142 HB2 LYS 15 HB2 LYS 15 51.671 8.938 -0.280
143 HB3 LYS 15 HB1 LYS 15 50.439 10.079 -1.000
144 HG2 LYS 15 HG2 LYS 15 50.104 7.463 -1.356
145 HG3 LYS 15 HG1 LYS 15 50.065 8.426 -2.842
146 HD2 LYS 15 HD2 LYS 15 52.399 7.797 -3.310
147 HD3 LYS 15 HD1 LYS 15 52.525 6.994 -1.733
148 HE2 LYS 15 HE2 LYS 15 50.956 5.292 -2.371
149 HE3 LYS 15 HE1 LYS 15 50.480 6.186 -3.835
150 HZ1 LYS 15 HZ1 LYS 15 51.967 4.627 -4.631
151 HZ2 LYS 15 HZ2 LYS 15 52.990 4.729 -3.278
152 HZ3 LYS 15 HZ3 LYS 15 52.966 5.983 -4.425
153 H LYS 16 HN LYS 16 50.877 11.897 -2.077
154 HA LYS 16 HA LYS 16 50.108 11.972 -4.973
155 HB2 LYS 16 HB2 LYS 16 48.468 11.124 -3.480
156 HB3 LYS 16 HB1 LYS 16 49.274 12.235 -2.280
157 HG2 LYS 16 HG2 LYS 16 47.207 13.416 -2.676
158 HG3 LYS 16 HG1 LYS 16 48.203 14.130 -3.947
159 HD2 LYS 16 HD2 LYS 16 47.335 12.403 -5.549
160 HD3 LYS 16 HD1 LYS 16 46.250 11.817 -4.264
161 HE2 LYS 16 HE2 LYS 16 45.157 14.000 -4.127
162 HE3 LYS 16 HE1 LYS 16 46.308 14.686 -5.300
163 HZ1 LYS 16 HZ1 LYS 16 44.268 14.095 -6.405
164 HZ2 LYS 16 HZ2 LYS 16 44.343 12.506 -5.809
165 HZ3 LYS 16 HZ3 LYS 16 45.498 13.051 -6.929
166 H LYS 17 HN LYS 17 50.756 12.771 -1.662
167 HA LYS 17 HA LYS 17 51.516 15.646 -2.775
168 HB2 LYS 17 HB2 LYS 17 50.283 15.535 -0.434
169 HB3 LYS 17 HB1 LYS 17 51.908 15.108 0.132
170 HG2 LYS 17 HG2 LYS 17 52.782 17.126 -1.057
171 HG3 LYS 17 HG1 LYS 17 51.099 17.582 -1.415
172 HD2 LYS 17 HD2 LYS 17 50.593 17.625 1.012
173 HD3 LYS 17 HD1 LYS 17 52.278 17.174 1.369
174 HE2 LYS 17 HE2 LYS 17 53.106 19.233 0.378
175 HE3 LYS 17 HE1 LYS 17 51.478 19.660 -0.203
176 HZ1 LYS 17 HZ1 LYS 17 51.043 20.582 1.749
177 HZ2 LYS 17 HZ2 LYS 17 52.627 20.252 2.269
178 HZ3 LYS 17 HZ3 LYS 17 51.381 19.135 2.567
179 H TRP 18 HN TRP 18 51.912 12.591 -3.061
180 HA TRP 18 HA TRP 18 54.879 13.236 -3.333
181 HB2 TRP 18 HB2 TRP 18 54.689 12.463 -0.841
182 HB3 TRP 18 HB1 TRP 18 54.641 10.844 -1.535
183 HD1 TRP 18 HD1 TRP 18 56.849 13.989 -1.767
184 HE1 TRP 18 HE1 TRP 18 59.327 13.231 -1.998
185 HE3 TRP 18 HE3 TRP 18 56.126 8.930 -1.928
186 HZ2 TRP 18 HZ2 TRP 18 60.767 10.742 -2.208
187 HZ3 TRP 18 HZ3 TRP 18 58.063 7.378 -2.134
188 HH2 TRP 18 HH2 TRP 18 60.381 8.279 -2.274
189 H ARG 19 HN ARG 19 52.364 12.403 -4.699
190 HA ARG 19 HA ARG 19 53.502 10.075 -6.042
191 HB2 ARG 19 HB2 ARG 19 50.826 10.119 -5.751
192 HB3 ARG 19 HB1 ARG 19 50.930 11.173 -7.143
193 HG2 ARG 19 HG2 ARG 19 52.215 8.409 -7.048
194 HG3 ARG 19 HG1 ARG 19 50.544 8.673 -7.584
195 HD2 ARG 19 HD2 ARG 19 51.494 10.356 -9.277
196 HD3 ARG 19 HD1 ARG 19 53.102 9.705 -8.862
197 HE ARG 19 HE ARG 19 51.137 8.405 -10.532
198 HH11 ARG 19 HH11 ARG 19 54.156 7.971 -10.471
199 HH12 ARG 19 HH12 ARG 19 54.245 6.326 -9.934
200 HH21 ARG 19 HH21 ARG 19 50.963 6.235 -8.816
201 HH22 ARG 19 HH22 ARG 19 52.438 5.343 -8.996
202 H LYS 20 HN LYS 20 54.845 12.147 -5.739
203 HA LYS 20 HA LYS 20 56.159 13.403 -7.467
204 HB2 LYS 20 HB2 LYS 20 53.528 13.900 -8.214
205 HB3 LYS 20 HB1 LYS 20 54.898 14.689 -9.057
206 HG2 LYS 20 HG2 LYS 20 54.889 11.660 -9.253
207 HG3 LYS 20 HG1 LYS 20 53.671 12.517 -10.233
208 HD2 LYS 20 HD2 LYS 20 55.410 13.855 -11.297
209 HD3 LYS 20 HD1 LYS 20 56.652 13.151 -10.234
210 HE2 LYS 20 HE2 LYS 20 56.481 12.121 -12.572
211 HE3 LYS 20 HE1 LYS 20 56.389 10.974 -11.214
212 HZ1 LYS 20 HZ1 LYS 20 54.604 11.087 -13.202
213 HZ2 LYS 20 HZ2 LYS 20 53.855 12.107 -12.068
214 HZ3 LYS 20 HZ3 LYS 20 54.249 10.509 -11.647
215 H ALA 21 HN ALA 21 54.373 13.329 -5.107
216 HA ALA 21 HA ALA 21 53.574 14.959 -4.081
217 HB1 ALA 21 HB1 ALA 21 54.422 16.980 -3.487
218 HB2 ALA 21 HB2 ALA 21 54.410 17.372 -5.215
219 HB3 ALA 21 HB3 ALA 21 55.695 16.370 -4.537
220 H VAL 22 HN VAL 22 52.663 13.282 -5.644
221 HA VAL 22 HA VAL 22 51.410 13.425 -7.558
222 HB VAL 22 HB VAL 22 49.374 13.795 -5.939
223 HG11 VAL 22 HG11 VAL 22 49.383 16.564 -7.179
224 HG12 VAL 22 HG12 VAL 22 49.998 16.250 -5.548
225 HG13 VAL 22 HG13 VAL 22 48.295 15.930 -5.928
226 HG21 VAL 22 HG21 VAL 22 49.276 13.197 -8.456
227 HG22 VAL 22 HG22 VAL 22 48.830 14.898 -8.698
228 HG23 VAL 22 HG23 VAL 22 47.815 13.853 -7.689
229 H ILE 23 HN ILE 23 53.545 15.383 -6.818
230 HA ILE 23 HA ILE 23 53.124 16.682 -9.648
231 HB ILE 23 HB ILE 23 51.774 18.070 -7.578
232 HG12 ILE 23 HG12 ILE 23 51.227 18.031 -10.018
233 HG13 ILE 23 HG11 ILE 23 51.142 19.649 -9.292
234 HG21 ILE 23 HG21 ILE 23 52.797 20.289 -7.474
235 HG22 ILE 23 HG22 ILE 23 54.184 19.730 -8.434
236 HG23 ILE 23 HG23 ILE 23 53.901 19.065 -6.810
237 HD11 ILE 23 HD1 ILE 23 53.083 20.394 -10.396
238 HD12 ILE 23 HD2 ILE 23 52.358 19.326 -11.617
239 HD13 ILE 23 HD3 ILE 23 53.710 18.747 -10.625
240 H ALA 24 HN ALA 24 54.910 16.687 -6.606
241 HA ALA 24 HA ALA 24 57.255 17.203 -8.110
242 HB1 ALA 24 HB1 ALA 24 58.062 18.663 -6.343
243 HB2 ALA 24 HB2 ALA 24 56.524 18.184 -5.565
244 HB3 ALA 24 HB3 ALA 24 56.495 19.212 -7.016
245 H TRP 25 HN TRP 25 55.847 15.514 -6.445
246 HA TRP 25 HA TRP 25 56.662 13.402 -5.196
247 HB2 TRP 25 HB2 TRP 25 58.369 13.553 -7.306
248 HB3 TRP 25 HB1 TRP 25 59.534 13.940 -6.043
249 HD1 TRP 25 HD1 TRP 25 59.951 12.070 -4.143
250 HE1 TRP 25 HE1 TRP 25 59.753 9.488 -4.188
251 HE3 TRP 25 HE3 TRP 25 57.089 11.525 -8.372
252 HZ2 TRP 25 HZ2 TRP 25 58.530 7.484 -5.832
253 HZ3 TRP 25 HZ3 TRP 25 56.430 9.264 -9.152
254 HH2 TRP 25 HH2 TRP 25 57.150 7.242 -7.893