Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
27166 | 2pco RC | 7402 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 HA SER 1 HA SER 1 11.558 6.010 7.873
2 HG SER 1 HG SER 1 14.292 5.347 10.310
3 H1 SER 1 1H SER 1 11.549 3.280 7.034
4 HB2 SER 1 1HB SER 1 11.749 4.961 10.058
5 HB3 SER 1 2HB SER 1 12.974 3.848 9.483
6 H MET 2 H MET 2 13.507 7.116 7.170
7 HA MET 2 HA MET 2 14.989 5.640 5.210
8 HB2 MET 2 1HB MET 2 15.050 8.547 6.186
9 HB3 MET 2 2HB MET 2 16.087 7.958 4.903
10 HG2 MET 2 1HG MET 2 14.072 7.288 3.576
11 HG3 MET 2 2HG MET 2 13.030 7.865 4.861
12 HE1 MET 2 3HE MET 2 12.819 8.844 1.866
13 HE2 MET 2 1HE MET 2 11.773 9.435 3.178
14 HE3 MET 2 2HE MET 2 12.587 10.593 2.100
15 H TRP 3 H TRP 3 15.300 6.638 8.558
16 HA TRP 3 HA TRP 3 18.197 6.197 8.461
17 HD1 TRP 3 HD1 TRP 3 16.580 6.587 12.649
18 HE1 TRP 3 HE1 TRP 3 14.218 7.399 13.502
19 HE3 TRP 3 HE3 TRP 3 15.376 9.190 8.450
20 HZ2 TRP 3 HZ2 TRP 3 12.158 9.003 12.350
21 HZ3 TRP 3 HZ3 TRP 3 13.170 10.350 8.396
22 HH2 TRP 3 HH2 TRP 3 11.586 10.286 10.256
23 HB2 TRP 3 1HB TRP 3 18.247 7.299 10.638
24 HB3 TRP 3 2HB TRP 3 17.575 8.323 9.384
25 H SER 4 H SER 4 19.126 4.520 9.704
26 HA SER 4 HA SER 4 17.383 2.454 10.513
27 HG SER 4 HG SER 4 20.742 3.464 11.686
28 HB2 SER 4 1HB SER 4 19.575 1.456 11.422
29 HB3 SER 4 2HB SER 4 19.503 1.758 9.698
30 H GLY 5 H GLY 5 17.643 1.452 12.826
31 HA2 GLY 5 1HA GLY 5 16.648 3.153 14.742
32 HA3 GLY 5 2HA GLY 5 17.455 1.631 15.060
33 H MET 6 H MET 6 20.095 2.047 14.314
34 HA MET 6 HA MET 6 21.013 4.003 16.155
35 HB2 MET 6 1HB MET 6 22.120 1.742 15.465
36 HB3 MET 6 2HB MET 6 22.614 2.545 13.988
37 HG2 MET 6 1HG MET 6 23.731 4.337 15.443
38 HG3 MET 6 2HG MET 6 23.384 3.334 16.837
39 HE1 MET 6 3HE MET 6 25.877 3.044 17.535
40 HE2 MET 6 1HE MET 6 27.183 2.686 16.380
41 HE3 MET 6 2HE MET 6 26.261 4.203 16.239
42 H TRP 7 H TRP 7 21.417 6.142 15.767
43 HA TRP 7 HA TRP 7 22.150 7.008 13.120
44 HD1 TRP 7 HD1 TRP 7 22.260 8.828 11.807
45 HE1 TRP 7 HE1 TRP 7 21.617 10.943 10.367
46 HE3 TRP 7 HE3 TRP 7 17.430 9.079 13.376
47 HZ2 TRP 7 HZ2 TRP 7 19.214 12.450 10.052
48 HZ3 TRP 7 HZ3 TRP 7 16.003 10.902 12.454
49 HH2 TRP 7 HH2 TRP 7 16.822 12.552 10.847
50 HB2 TRP 7 1HB TRP 7 19.688 6.844 12.978
51 HB3 TRP 7 2HB TRP 7 19.544 7.947 14.331
52 H ARG 8 H ARG 8 20.740 8.161 16.277
53 HA ARG 8 HA ARG 8 22.248 10.490 16.258
54 HE ARG 8 HE ARG 8 17.700 11.856 17.082
55 HB2 ARG 8 1HB ARG 8 20.818 8.972 18.488
56 HB3 ARG 8 2HB ARG 8 21.600 10.514 18.772
57 HG2 ARG 8 1HG ARG 8 20.185 11.544 16.963
58 HG3 ARG 8 2HG ARG 8 19.380 10.004 16.735
59 HD2 ARG 8 1HD ARG 8 18.592 10.055 19.108
60 HD3 ARG 8 2HD ARG 8 19.412 11.585 19.353
61 HH11 ARG 8 1HH1 ARG 8 17.477 11.429 20.568
62 HH12 ARG 8 2HH1 ARG 8 15.952 12.240 20.698
63 HH21 ARG 8 1HH2 ARG 8 15.688 12.926 17.253
64 HH22 ARG 8 2HH2 ARG 8 14.927 13.095 18.800
65 H ARG 9 H ARG 9 22.760 7.214 17.633
66 HA ARG 9 HA ARG 9 25.003 7.946 19.143
67 HE ARG 9 HE ARG 9 22.100 5.443 22.107
68 HB2 ARG 9 1HB ARG 9 24.007 5.261 18.077
69 HB3 ARG 9 2HB ARG 9 25.416 5.395 19.111
70 HG2 ARG 9 1HG ARG 9 24.019 6.512 20.866
71 HG3 ARG 9 2HG ARG 9 22.611 6.371 19.832
72 HD2 ARG 9 1HD ARG 9 22.863 3.871 19.844
73 HD3 ARG 9 2HD ARG 9 24.257 4.023 20.897
74 HH11 ARG 9 1HH1 ARG 9 23.017 2.137 21.326
75 HH12 ARG 9 2HH1 ARG 9 22.094 1.441 22.615
76 HH21 ARG 9 1HH2 ARG 9 20.881 4.525 23.808
77 HH22 ARG 9 2HH2 ARG 9 20.874 2.808 24.039
78 H LYS 10 H LYS 10 24.418 7.037 15.764
79 HA LYS 10 HA LYS 10 27.135 6.416 15.176
80 HB2 LYS 10 1HB LYS 10 24.715 5.970 13.955
81 HB3 LYS 10 2HB LYS 10 25.377 7.252 12.961
82 HG2 LYS 10 1HG LYS 10 27.522 5.929 12.750
83 HG3 LYS 10 2HG LYS 10 26.781 4.630 13.663
84 HD2 LYS 10 1HD LYS 10 24.994 4.420 11.931
85 HD3 LYS 10 2HD LYS 10 25.709 5.738 11.023
86 HE2 LYS 10 1HE LYS 10 27.828 4.406 10.786
87 HE3 LYS 10 2HE LYS 10 27.086 3.084 11.664
88 HZ1 LYS 10 3HZ LYS 10 26.889 2.781 9.306
89 HZ2 LYS 10 1HZ LYS 10 25.401 2.974 9.950
90 HZ3 LYS 10 2HZ LYS 10 26.101 4.200 9.130
91 H LEU 11 H LEU 11 25.048 9.327 15.099
92 HA LEU 11 HA LEU 11 26.974 10.927 13.765
93 HG LEU 11 HG LEU 11 24.293 10.562 13.013
94 HB2 LEU 11 1HB LEU 11 24.502 11.543 15.378
95 HB3 LEU 11 2HB LEU 11 25.501 12.790 14.658
96 HD11 LEU 11 1HD1 LEU 11 22.490 12.175 12.415
97 HD12 LEU 11 2HD1 LEU 11 22.425 11.606 14.101
98 HD13 LEU 11 3HD1 LEU 11 23.054 13.230 13.733
99 HD21 LEU 11 3HD2 LEU 11 25.415 13.290 12.331
100 HD22 LEU 11 1HD2 LEU 11 26.085 11.698 11.900
101 HD23 LEU 11 2HD2 LEU 11 24.549 12.241 11.183
102 H LYS 12 H LYS 12 26.261 10.060 17.158
103 HA LYS 12 HA LYS 12 27.980 11.983 18.295
104 HB2 LYS 12 1HB LYS 12 26.161 10.836 19.511
105 HB3 LYS 12 2HB LYS 12 27.025 9.318 19.385
106 HG2 LYS 12 1HG LYS 12 28.933 10.266 20.663
107 HG3 LYS 12 2HG LYS 12 28.134 11.823 20.737
108 HD2 LYS 12 1HD LYS 12 26.243 10.798 22.011
109 HD3 LYS 12 2HD LYS 12 27.029 9.234 21.927
110 HE2 LYS 12 1HE LYS 12 28.993 10.154 23.180
111 HE3 LYS 12 2HE LYS 12 28.209 11.719 23.262
112 HZ1 LYS 12 3HZ LYS 12 27.833 10.445 25.247
113 HZ2 LYS 12 1HZ LYS 12 26.412 10.687 24.480
114 HZ3 LYS 12 2HZ LYS 12 27.143 9.229 24.404
115 H LYS 13 H LYS 13 28.408 8.608 17.117
116 HA LYS 13 HA LYS 13 31.049 8.359 18.054
117 HB2 LYS 13 1HB LYS 13 29.575 6.459 17.495
118 HB3 LYS 13 2HB LYS 13 29.626 6.909 15.802
119 HG2 LYS 13 1HG LYS 13 32.071 6.562 15.736
120 HG3 LYS 13 2HG LYS 13 32.105 6.246 17.459
121 HD2 LYS 13 1HD LYS 13 30.629 4.250 17.120
122 HD3 LYS 13 2HD LYS 13 30.602 4.565 15.396
123 HE2 LYS 13 1HE LYS 13 33.078 4.274 15.290
124 HE3 LYS 13 2HE LYS 13 33.129 3.996 17.019
125 HZ1 LYS 13 3HZ LYS 13 31.666 2.337 15.084
126 HZ2 LYS 13 1HZ LYS 13 33.081 1.943 15.799
127 HZ3 LYS 13 2HZ LYS 13 31.722 2.077 16.695
128 H LEU 14 H LEU 14 29.585 9.549 14.991
129 HA LEU 14 HA LEU 14 31.982 9.813 13.587
130 HG LEU 14 HG LEU 14 31.324 12.342 12.028
131 HB2 LEU 14 1HB LEU 14 29.733 9.829 12.603
132 HB3 LEU 14 2HB LEU 14 29.410 11.381 13.350
133 HD11 LEU 14 1HD1 LEU 14 32.636 10.423 11.532
134 HD12 LEU 14 2HD1 LEU 14 31.265 9.601 10.749
135 HD13 LEU 14 3HD1 LEU 14 31.999 11.032 9.985
136 HD21 LEU 14 3HD2 LEU 14 30.061 12.491 9.929
137 HD22 LEU 14 1HD2 LEU 14 29.030 11.138 10.454
138 HD23 LEU 14 2HD2 LEU 14 29.007 12.675 11.352
139 H ARG 15 H ARG 15 30.125 12.186 15.607
140 HA ARG 15 HA ARG 15 31.801 14.290 15.292
141 HE ARG 15 HE ARG 15 28.155 17.134 15.688
142 HB2 ARG 15 1HB ARG 15 29.869 13.376 17.381
143 HB3 ARG 15 2HB ARG 15 31.032 14.563 17.937
144 HG2 ARG 15 1HG ARG 15 30.404 16.084 16.068
145 HG3 ARG 15 2HG ARG 15 29.277 14.890 15.457
146 HD2 ARG 15 1HD ARG 15 27.974 15.018 17.589
147 HD3 ARG 15 2HD ARG 15 29.108 16.198 18.216
148 HH11 ARG 15 1HH1 ARG 15 26.973 16.569 18.954
149 HH12 ARG 15 2HH1 ARG 15 25.772 17.814 18.872
150 HH21 ARG 15 1HH2 ARG 15 26.572 18.780 15.581
151 HH22 ARG 15 2HH2 ARG 15 25.539 19.076 16.939
152 H ASN 16 H ASN 16 31.897 11.717 17.866
153 HA ASN 16 HA ASN 16 33.973 12.736 19.289
154 HB2 ASN 16 1HB ASN 16 32.547 10.768 19.955
155 HB3 ASN 16 2HB ASN 16 33.353 9.783 18.750
156 HD21 ASN 16 1HD2 ASN 16 33.794 11.671 21.689
157 HD22 ASN 16 2HD2 ASN 16 35.201 10.855 22.285
158 H ALA 17 H ALA 17 33.947 10.495 16.439
159 HA ALA 17 HA ALA 17 36.692 9.890 16.545
160 HB1 ALA 17 3HB ALA 17 36.270 8.966 14.278
161 HB2 ALA 17 1HB ALA 17 35.023 8.465 15.445
162 HB3 ALA 17 2HB ALA 17 34.674 9.753 14.267
163 H LEU 18 H LEU 18 34.748 12.436 14.924
164 HA LEU 18 HA LEU 18 36.819 13.306 13.229
165 HG LEU 18 HG LEU 18 35.925 16.334 13.307
166 HB2 LEU 18 1HB LEU 18 34.480 13.722 12.776
167 HB3 LEU 18 2HB LEU 18 34.322 14.671 14.241
168 HD11 LEU 18 1HD1 LEU 18 35.786 14.548 10.869
169 HD12 LEU 18 2HD1 LEU 18 36.344 16.237 10.827
170 HD13 LEU 18 3HD1 LEU 18 37.225 15.033 11.799
171 HD21 LEU 18 3HD2 LEU 18 33.518 16.689 13.140
172 HD22 LEU 18 1HD2 LEU 18 34.359 17.331 11.708
173 HD23 LEU 18 2HD2 LEU 18 33.477 15.789 11.605
174 H LYS 19 H LYS 19 35.774 14.179 16.556
175 HA LYS 19 HA LYS 19 37.497 16.410 16.744
176 HB2 LYS 19 1HB LYS 19 35.447 16.085 18.100
177 HB3 LYS 19 2HB LYS 19 36.214 14.747 18.931
178 HG2 LYS 19 1HG LYS 19 37.995 16.240 19.778
179 HG3 LYS 19 2HG LYS 19 37.345 17.584 18.861
180 HD2 LYS 19 1HD LYS 19 35.212 17.441 20.165
181 HD3 LYS 19 2HD LYS 19 35.864 16.099 21.084
182 HE2 LYS 19 1HE LYS 19 37.716 17.564 21.915
183 HE3 LYS 19 2HE LYS 19 37.073 18.906 20.990
184 HZ1 LYS 19 3HZ LYS 19 35.643 17.486 23.129
185 HZ2 LYS 19 1HZ LYS 19 36.324 18.965 23.256
186 HZ3 LYS 19 2HZ LYS 19 35.044 18.737 22.267
187 H LYS 20 H LYS 20 37.802 12.907 17.412
188 HA LYS 20 HA LYS 20 40.243 13.072 18.783
189 HB2 LYS 20 1HB LYS 20 38.614 11.128 18.689
190 HB3 LYS 20 2HB LYS 20 39.250 10.760 17.099
191 HG2 LYS 20 1HG LYS 20 41.557 10.584 18.070
192 HG3 LYS 20 2HG LYS 20 40.908 10.931 19.661
193 HD2 LYS 20 1HD LYS 20 39.485 8.892 19.549
194 HD3 LYS 20 2HD LYS 20 40.068 8.556 17.931
195 HE2 LYS 20 1HE LYS 20 42.398 8.332 18.807
196 HE3 LYS 20 2HE LYS 20 41.832 8.696 20.425
197 HZ1 LYS 20 3HZ LYS 20 41.999 6.340 20.059
198 HZ2 LYS 20 1HZ LYS 20 40.437 6.743 20.314
199 HZ3 LYS 20 2HZ LYS 20 40.957 6.405 18.804
200 H LYS 21 H LYS 21 39.376 12.826 15.297
201 HA LYS 21 HA LYS 21 42.068 12.446 14.483
202 HB2 LYS 21 1HB LYS 21 39.497 13.094 13.033
203 HB3 LYS 21 2HB LYS 21 41.034 12.994 12.199
204 HG2 LYS 21 1HG LYS 21 41.360 10.674 12.979
205 HG3 LYS 21 2HG LYS 21 39.907 10.763 13.955
206 HD2 LYS 21 1HD LYS 21 38.532 11.094 11.901
207 HD3 LYS 21 2HD LYS 21 39.978 11.051 10.913
208 HE2 LYS 21 1HE LYS 21 40.447 8.715 11.759
209 HE3 LYS 21 2HE LYS 21 38.944 8.765 12.659
210 HZ1 LYS 21 3HZ LYS 21 39.186 9.043 9.743
211 HZ2 LYS 21 1HZ LYS 21 38.649 7.720 10.536
212 HZ3 LYS 21 2HZ LYS 21 37.784 9.104 10.577
213 H LEU 22 H LEU 22 39.932 15.242 15.061
214 HA LEU 22 HA LEU 22 41.547 17.064 13.606
215 HG LEU 22 HG LEU 22 40.813 19.520 15.343
216 HB2 LEU 22 1HB LEU 22 39.169 17.398 13.939
217 HB3 LEU 22 2HB LEU 22 39.386 17.470 15.676
218 HD11 LEU 22 1HD1 LEU 22 41.514 19.271 13.073
219 HD12 LEU 22 2HD1 LEU 22 39.831 19.234 12.494
220 HD13 LEU 22 3HD1 LEU 22 40.505 20.734 13.174
221 HD21 LEU 22 3HD2 LEU 22 38.907 21.027 14.990
222 HD22 LEU 22 1HD2 LEU 22 37.939 19.659 14.389
223 HD23 LEU 22 2HD2 LEU 22 38.498 19.680 16.079
224 H LYS 23 H LYS 23 41.295 16.033 17.045
225 HA LYS 23 HA LYS 23 43.125 18.063 17.893
226 HB2 LYS 23 1HB LYS 23 41.277 17.279 19.316
227 HB3 LYS 23 2HB LYS 23 41.967 15.669 19.353
228 HG2 LYS 23 1HG LYS 23 44.054 16.599 20.395
229 HG3 LYS 23 2HG LYS 23 43.340 18.199 20.380
230 HD2 LYS 23 1HD LYS 23 41.491 17.406 21.851
231 HD3 LYS 23 2HD LYS 23 42.160 15.787 21.839
232 HE2 LYS 23 1HE LYS 23 44.302 16.730 22.839
233 HE3 LYS 23 2HE LYS 23 43.507 18.287 22.968
234 HZ1 LYS 23 3HZ LYS 23 41.825 17.231 24.340
235 HZ2 LYS 23 1HZ LYS 23 42.604 15.799 24.246
236 HZ3 LYS 23 2HZ LYS 23 43.311 17.065 24.997
237 H GLY 24 H GLY 24 43.228 14.433 17.691
238 HA2 GLY 24 1HA GLY 24 45.648 14.037 16.593
239 HA3 GLY 24 2HA GLY 24 46.072 14.465 18.238
240 H GLU 25 H GLU 25 44.827 13.242 20.036
241 HA GLU 25 HA GLU 25 43.722 10.748 19.301
242 HB2 GLU 25 1HB GLU 25 46.086 10.172 18.949
243 HB3 GLU 25 2HB GLU 25 46.509 10.783 20.536
244 HG2 GLU 25 1HG GLU 25 45.204 9.041 21.641
245 HG3 GLU 25 2HG GLU 25 44.501 8.524 20.122
246 H LYS 26 H LYS 26 45.596 12.341 21.991
247 HA LYS 26 HA LYS 26 44.099 11.039 23.983
248 HB2 LYS 26 1HB LYS 26 45.966 13.422 24.037
249 HB3 LYS 26 2HB LYS 26 45.242 12.739 25.478
250 HG2 LYS 26 1HG LYS 26 46.234 10.501 24.892
251 HG3 LYS 26 2HG LYS 26 46.993 11.221 23.486
252 HD2 LYS 26 1HD LYS 26 47.462 12.355 26.270
253 HD3 LYS 26 2HD LYS 26 48.403 11.001 25.679
254 HE2 LYS 26 1HE LYS 26 49.044 12.387 23.655
255 HE3 LYS 26 2HE LYS 26 48.188 13.747 24.354
256 HZ1 LYS 26 3HZ LYS 26 50.508 13.816 24.897
257 HZ2 LYS 26 1HZ LYS 26 49.645 13.596 26.266
258 HZ3 LYS 26 2HZ LYS 26 50.451 12.342 25.598
Start of MODEL 2
1 HA SER 1 HA SER 1 14.581 3.775 6.437
2 HG SER 1 HG SER 1 16.417 2.148 9.359
3 H1 SER 1 1H SER 1 14.745 0.925 6.604
4 HB2 SER 1 1HB SER 1 15.634 4.112 8.700
5 HB3 SER 1 2HB SER 1 13.982 3.532 8.771
6 H MET 2 H MET 2 16.828 4.765 6.512
7 HA MET 2 HA MET 2 18.607 3.054 5.133
8 HB2 MET 2 1HB MET 2 18.800 5.920 6.204
9 HB3 MET 2 2HB MET 2 20.089 5.180 5.276
10 HG2 MET 2 1HG MET 2 18.543 4.826 3.360
11 HG3 MET 2 2HG MET 2 17.211 5.487 4.288
12 HE1 MET 2 3HE MET 2 17.938 8.325 1.707
13 HE2 MET 2 1HE MET 2 18.047 6.567 1.447
14 HE3 MET 2 2HE MET 2 16.712 7.243 2.409
15 H TRP 3 H TRP 3 18.242 4.226 8.470
16 HA TRP 3 HA TRP 3 20.924 3.223 9.106
17 HD1 TRP 3 HD1 TRP 3 22.628 6.004 9.517
18 HE1 TRP 3 HE1 TRP 3 22.508 8.184 8.035
19 HE3 TRP 3 HE3 TRP 3 17.553 6.187 9.267
20 HZ2 TRP 3 HZ2 TRP 3 20.351 9.706 6.949
21 HZ3 TRP 3 HZ3 TRP 3 16.520 8.053 7.976
22 HH2 TRP 3 HH2 TRP 3 17.833 9.773 6.841
23 HB2 TRP 3 1HB TRP 3 19.166 4.987 10.810
24 HB3 TRP 3 2HB TRP 3 20.864 4.616 11.039
25 H SER 4 H SER 4 21.132 1.875 11.071
26 HA SER 4 HA SER 4 18.681 0.899 12.186
27 HG SER 4 HG SER 4 19.046 -2.610 11.377
28 HB2 SER 4 1HB SER 4 19.025 -0.583 10.214
29 HB3 SER 4 2HB SER 4 20.628 -0.991 10.791
30 H GLY 5 H GLY 5 19.011 -0.034 14.299
31 HA2 GLY 5 1HA GLY 5 20.101 -0.334 16.253
32 HA3 GLY 5 2HA GLY 5 21.617 -0.441 15.379
33 H MET 6 H MET 6 22.692 1.611 14.678
34 HA MET 6 HA MET 6 22.074 3.696 16.612
35 HB2 MET 6 1HB MET 6 24.608 3.097 14.984
36 HB3 MET 6 2HB MET 6 24.464 4.422 16.123
37 HG2 MET 6 1HG MET 6 23.927 2.713 17.938
38 HG3 MET 6 2HG MET 6 24.260 1.443 16.778
39 HE1 MET 6 3HE MET 6 25.786 1.517 19.449
40 HE2 MET 6 1HE MET 6 26.160 0.360 18.149
41 HE3 MET 6 2HE MET 6 27.472 1.275 18.931
42 H TRP 7 H TRP 7 21.822 5.896 15.951
43 HA TRP 7 HA TRP 7 22.510 6.515 13.200
44 HD1 TRP 7 HD1 TRP 7 22.290 8.520 11.976
45 HE1 TRP 7 HE1 TRP 7 21.234 10.296 10.335
46 HE3 TRP 7 HE3 TRP 7 17.446 7.403 13.046
47 HZ2 TRP 7 HZ2 TRP 7 18.551 11.019 9.684
48 HZ3 TRP 7 HZ3 TRP 7 15.669 8.690 11.863
49 HH2 TRP 7 HH2 TRP 7 16.157 10.445 10.233
50 HB2 TRP 7 1HB TRP 7 20.148 5.928 13.063
51 HB3 TRP 7 2HB TRP 7 19.767 7.058 14.349
52 H ARG 8 H ARG 8 20.838 7.910 16.125
53 HA ARG 8 HA ARG 8 22.234 10.317 15.934
54 HE ARG 8 HE ARG 8 17.570 11.508 16.304
55 HB2 ARG 8 1HB ARG 8 20.721 8.978 18.225
56 HB3 ARG 8 2HB ARG 8 21.407 10.583 18.374
57 HG2 ARG 8 1HG ARG 8 20.065 11.329 16.385
58 HG3 ARG 8 2HG ARG 8 19.365 9.727 16.267
59 HD2 ARG 8 1HD ARG 8 18.404 9.971 18.566
60 HD3 ARG 8 2HD ARG 8 19.118 11.565 18.699
61 HH11 ARG 8 1HH1 ARG 8 17.110 11.412 19.792
62 HH12 ARG 8 2HH1 ARG 8 15.521 12.098 19.730
63 HH21 ARG 8 1HH2 ARG 8 15.465 12.396 16.221
64 HH22 ARG 8 2HH2 ARG 8 14.597 12.701 17.687
65 H ARG 9 H ARG 9 22.768 7.225 17.681
66 HA ARG 9 HA ARG 9 24.950 8.202 19.161
67 HE ARG 9 HE ARG 9 22.027 6.032 22.360
68 HB2 ARG 9 1HB ARG 9 24.030 5.381 18.425
69 HB3 ARG 9 2HB ARG 9 25.412 5.676 19.464
70 HG2 ARG 9 1HG ARG 9 23.958 6.967 21.037
71 HG3 ARG 9 2HG ARG 9 22.575 6.684 19.998
72 HD2 ARG 9 1HD ARG 9 22.858 4.207 20.316
73 HD3 ARG 9 2HD ARG 9 24.220 4.505 21.377
74 HH11 ARG 9 1HH1 ARG 9 22.971 2.663 21.984
75 HH12 ARG 9 2HH1 ARG 9 22.001 2.110 23.309
76 HH21 ARG 9 1HH2 ARG 9 20.748 5.303 24.109
77 HH22 ARG 9 2HH2 ARG 9 20.736 3.623 24.531
78 H LYS 10 H LYS 10 24.456 6.941 15.897
79 HA LYS 10 HA LYS 10 27.188 6.307 15.412
80 HB2 LYS 10 1HB LYS 10 24.797 5.757 14.175
81 HB3 LYS 10 2HB LYS 10 25.474 6.969 13.105
82 HG2 LYS 10 1HG LYS 10 27.620 5.656 13.006
83 HG3 LYS 10 2HG LYS 10 26.903 4.432 14.036
84 HD2 LYS 10 1HD LYS 10 25.119 4.033 12.331
85 HD3 LYS 10 2HD LYS 10 25.818 5.269 11.304
86 HE2 LYS 10 1HE LYS 10 27.943 3.960 11.164
87 HE3 LYS 10 2HE LYS 10 27.260 2.729 12.206
88 HZ1 LYS 10 3HZ LYS 10 27.030 2.152 9.900
89 HZ2 LYS 10 1HZ LYS 10 25.550 2.364 10.558
90 HZ3 LYS 10 2HZ LYS 10 26.185 3.514 9.586
91 H LEU 11 H LEU 11 25.074 9.183 15.033
92 HA LEU 11 HA LEU 11 27.045 10.684 13.645
93 HG LEU 11 HG LEU 11 24.459 10.214 12.762
94 HB2 LEU 11 1HB LEU 11 24.482 11.398 15.061
95 HB3 LEU 11 2HB LEU 11 25.504 12.596 14.292
96 HD11 LEU 11 1HD1 LEU 11 22.598 11.649 11.979
97 HD12 LEU 11 2HD1 LEU 11 22.496 11.247 13.711
98 HD13 LEU 11 3HD1 LEU 11 23.052 12.860 13.203
99 HD21 LEU 11 3HD2 LEU 11 25.442 12.958 11.935
100 HD22 LEU 11 1HD2 LEU 11 26.262 11.399 11.688
101 HD23 LEU 11 2HD2 LEU 11 24.742 11.749 10.833
102 H LYS 12 H LYS 12 26.197 10.087 17.058
103 HA LYS 12 HA LYS 12 27.862 12.096 18.119
104 HB2 LYS 12 1HB LYS 12 26.022 10.979 19.347
105 HB3 LYS 12 2HB LYS 12 26.936 9.484 19.353
106 HG2 LYS 12 1HG LYS 12 28.776 10.590 20.613
107 HG3 LYS 12 2HG LYS 12 27.913 12.115 20.565
108 HD2 LYS 12 1HD LYS 12 26.027 11.095 21.851
109 HD3 LYS 12 2HD LYS 12 26.877 9.564 21.890
110 HE2 LYS 12 1HE LYS 12 28.765 10.642 23.135
111 HE3 LYS 12 2HE LYS 12 27.917 12.175 23.092
112 HZ1 LYS 12 3HZ LYS 12 26.126 11.151 24.324
113 HZ2 LYS 12 1HZ LYS 12 26.915 9.722 24.364
114 HZ3 LYS 12 2HZ LYS 12 27.532 11.017 25.144
115 H LYS 13 H LYS 13 28.367 8.664 17.158
116 HA LYS 13 HA LYS 13 30.993 8.515 18.154
117 HB2 LYS 13 1HB LYS 13 29.560 6.561 17.671
118 HB3 LYS 13 2HB LYS 13 29.641 6.919 15.957
119 HG2 LYS 13 1HG LYS 13 32.099 6.623 15.972
120 HG3 LYS 13 2HG LYS 13 32.086 6.378 17.707
121 HD2 LYS 13 1HD LYS 13 30.655 4.345 17.408
122 HD3 LYS 13 2HD LYS 13 30.668 4.590 15.673
123 HE2 LYS 13 1HE LYS 13 33.162 4.354 15.659
124 HE3 LYS 13 2HE LYS 13 33.149 4.108 17.394
125 HZ1 LYS 13 3HZ LYS 13 31.811 2.391 15.420
126 HZ2 LYS 13 1HZ LYS 13 33.175 2.028 16.240
127 HZ3 LYS 13 2HZ LYS 13 31.757 2.171 17.037
128 H LEU 14 H LEU 14 29.556 9.597 15.052
129 HA LEU 14 HA LEU 14 31.956 9.831 13.645
130 HG LEU 14 HG LEU 14 31.401 12.216 11.970
131 HB2 LEU 14 1HB LEU 14 29.660 9.850 12.704
132 HB3 LEU 14 2HB LEU 14 29.425 11.456 13.364
133 HD11 LEU 14 1HD1 LEU 14 32.529 10.171 11.522
134 HD12 LEU 14 2HD1 LEU 14 31.069 9.441 10.811
135 HD13 LEU 14 3HD1 LEU 14 31.900 10.772 9.969
136 HD21 LEU 14 3HD2 LEU 14 30.088 12.383 9.903
137 HD22 LEU 14 1HD2 LEU 14 28.962 11.150 10.520
138 HD23 LEU 14 2HD2 LEU 14 29.104 12.721 11.346
139 H ARG 15 H ARG 15 30.106 12.229 15.644
140 HA ARG 15 HA ARG 15 31.811 14.314 15.378
141 HE ARG 15 HE ARG 15 30.039 18.173 17.238
142 HB2 ARG 15 1HB ARG 15 29.578 13.733 16.924
143 HB3 ARG 15 2HB ARG 15 30.814 13.883 18.157
144 HG2 ARG 15 1HG ARG 15 31.477 16.115 17.165
145 HG3 ARG 15 2HG ARG 15 30.155 15.968 16.024
146 HD2 ARG 15 1HD ARG 15 28.524 15.859 17.916
147 HD3 ARG 15 2HD ARG 15 29.841 15.980 19.066
148 HH11 ARG 15 1HH1 ARG 15 27.941 17.014 19.813
149 HH12 ARG 15 2HH1 ARG 15 27.441 18.601 20.295
150 HH21 ARG 15 1HH2 ARG 15 29.385 20.268 17.877
151 HH22 ARG 15 2HH2 ARG 15 28.261 20.463 19.180
152 H ASN 16 H ASN 16 31.895 11.658 17.866
153 HA ASN 16 HA ASN 16 33.944 12.677 19.343
154 HB2 ASN 16 1HB ASN 16 32.485 10.703 19.954
155 HB3 ASN 16 2HB ASN 16 33.350 9.723 18.785
156 HD21 ASN 16 1HD2 ASN 16 33.590 11.547 21.772
157 HD22 ASN 16 2HD2 ASN 16 34.998 10.769 22.415
158 H ALA 17 H ALA 17 33.953 10.451 16.482
159 HA ALA 17 HA ALA 17 36.706 9.879 16.587
160 HB1 ALA 17 3HB ALA 17 36.301 8.975 14.311
161 HB2 ALA 17 1HB ALA 17 35.055 8.447 15.467
162 HB3 ALA 17 2HB ALA 17 34.696 9.745 14.302
163 H LEU 18 H LEU 18 34.726 12.404 14.969
164 HA LEU 18 HA LEU 18 36.775 13.303 13.272
165 HG LEU 18 HG LEU 18 35.840 16.335 13.402
166 HB2 LEU 18 1HB LEU 18 34.439 13.708 12.831
167 HB3 LEU 18 2HB LEU 18 34.271 14.632 14.310
168 HD11 LEU 18 1HD1 LEU 18 35.744 14.583 10.937
169 HD12 LEU 18 2HD1 LEU 18 36.278 16.280 10.927
170 HD13 LEU 18 3HD1 LEU 18 37.170 15.074 11.884
171 HD21 LEU 18 3HD2 LEU 18 33.426 16.646 13.225
172 HD22 LEU 18 1HD2 LEU 18 34.263 17.325 11.808
173 HD23 LEU 18 2HD2 LEU 18 33.412 15.767 11.677
174 H LYS 19 H LYS 19 35.789 14.116 16.625
175 HA LYS 19 HA LYS 19 37.422 16.404 16.814
176 HB2 LYS 19 1HB LYS 19 35.460 15.954 18.249
177 HB3 LYS 19 2HB LYS 19 36.306 14.610 18.992
178 HG2 LYS 19 1HG LYS 19 38.062 16.120 19.842
179 HG3 LYS 19 2HG LYS 19 37.355 17.479 18.992
180 HD2 LYS 19 1HD LYS 19 35.268 17.253 20.353
181 HD3 LYS 19 2HD LYS 19 35.965 15.885 21.199
182 HE2 LYS 19 1HE LYS 19 37.822 17.346 22.032
183 HE3 LYS 19 2HE LYS 19 37.126 18.713 21.187
184 HZ1 LYS 19 3HZ LYS 19 35.792 17.175 23.306
185 HZ2 LYS 19 1HZ LYS 19 36.448 18.661 23.476
186 HZ3 LYS 19 2HZ LYS 19 35.141 18.450 22.519
187 H LYS 20 H LYS 20 37.938 12.904 17.343
188 HA LYS 20 HA LYS 20 40.433 13.232 18.637
189 HB2 LYS 20 1HB LYS 20 39.008 10.907 17.340
190 HB3 LYS 20 2HB LYS 20 40.635 10.748 17.972
191 HG2 LYS 20 1HG LYS 20 39.905 11.422 20.211
192 HG3 LYS 20 2HG LYS 20 38.308 11.836 19.620
193 HD2 LYS 20 1HD LYS 20 38.133 9.658 20.659
194 HD3 LYS 20 2HD LYS 20 37.994 9.412 18.929
195 HE2 LYS 20 1HE LYS 20 40.292 8.642 18.762
196 HE3 LYS 20 2HE LYS 20 40.660 9.170 20.391
197 HZ1 LYS 20 3HZ LYS 20 39.133 7.535 21.224
198 HZ2 LYS 20 1HZ LYS 20 38.720 7.068 19.713
199 HZ3 LYS 20 2HZ LYS 20 40.236 6.807 20.263
200 H LYS 21 H LYS 21 39.327 13.064 15.257
201 HA LYS 21 HA LYS 21 41.917 12.626 14.182
202 HB2 LYS 21 1HB LYS 21 39.256 13.478 13.039
203 HB3 LYS 21 2HB LYS 21 40.704 13.447 12.053
204 HG2 LYS 21 1HG LYS 21 41.050 11.058 12.540
205 HG3 LYS 21 2HG LYS 21 39.721 11.058 13.681
206 HD2 LYS 21 1HD LYS 21 38.129 11.624 11.842
207 HD3 LYS 21 2HD LYS 21 39.455 11.651 10.695
208 HE2 LYS 21 1HE LYS 21 39.948 9.234 11.273
209 HE3 LYS 21 2HE LYS 21 38.538 9.227 12.315
210 HZ1 LYS 21 3HZ LYS 21 38.516 9.773 9.428
211 HZ2 LYS 21 1HZ LYS 21 38.006 8.399 10.148
212 HZ3 LYS 21 2HZ LYS 21 37.200 9.798 10.393
213 H LEU 22 H LEU 22 39.898 15.503 14.942
214 HA LEU 22 HA LEU 22 41.673 17.316 13.678
215 HG LEU 22 HG LEU 22 38.888 17.007 13.239
216 HB2 LEU 22 1HB LEU 22 39.426 17.656 15.662
217 HB3 LEU 22 2HB LEU 22 40.332 19.000 14.994
218 HD11 LEU 22 1HD1 LEU 22 37.788 19.588 14.387
219 HD12 LEU 22 2HD1 LEU 22 37.019 18.602 13.120
220 HD13 LEU 22 3HD1 LEU 22 37.234 17.939 14.758
221 HD21 LEU 22 3HD2 LEU 22 38.920 18.929 11.637
222 HD22 LEU 22 1HD2 LEU 22 39.967 19.799 12.785
223 HD23 LEU 22 2HD2 LEU 22 40.525 18.278 12.048
224 H LYS 23 H LYS 23 41.340 15.916 16.951
225 HA LYS 23 HA LYS 23 43.235 17.697 18.109
226 HB2 LYS 23 1HB LYS 23 41.518 16.709 19.482
227 HB3 LYS 23 2HB LYS 23 42.010 15.087 19.037
228 HG2 LYS 23 1HG LYS 23 44.171 15.362 20.165
229 HG3 LYS 23 2HG LYS 23 43.856 17.060 20.458
230 HD2 LYS 23 1HD LYS 23 42.052 16.553 22.005
231 HD3 LYS 23 2HD LYS 23 42.044 14.863 21.545
232 HE2 LYS 23 1HE LYS 23 44.379 14.622 22.456
233 HE3 LYS 23 2HE LYS 23 44.342 16.302 22.955
234 HZ1 LYS 23 3HZ LYS 23 43.723 14.859 24.746
235 HZ2 LYS 23 1HZ LYS 23 42.438 15.781 24.337
236 HZ3 LYS 23 2HZ LYS 23 42.496 14.213 23.884
237 H GLY 24 H GLY 24 43.326 14.555 16.417
238 HA2 GLY 24 1HA GLY 24 45.117 13.331 15.731
239 HA3 GLY 24 2HA GLY 24 46.208 14.519 16.418
240 H GLU 25 H GLU 25 43.508 12.742 18.054
241 HA GLU 25 HA GLU 25 45.241 12.344 20.262
242 HB2 GLU 25 1HB GLU 25 42.792 12.909 20.446
243 HB3 GLU 25 2HB GLU 25 42.402 11.321 19.816
244 HG2 GLU 25 1HG GLU 25 43.513 10.231 21.726
245 HG3 GLU 25 2HG GLU 25 44.089 11.775 22.321
246 H LYS 26 H LYS 26 43.338 10.116 18.098
247 HA LYS 26 HA LYS 26 45.455 8.234 18.015
248 HB2 LYS 26 1HB LYS 26 44.663 7.850 20.337
249 HB3 LYS 26 2HB LYS 26 43.064 7.483 19.722
250 HG2 LYS 26 1HG LYS 26 43.923 5.565 18.451
251 HG3 LYS 26 2HG LYS 26 45.578 5.987 18.847
252 HD2 LYS 26 1HD LYS 26 45.086 5.618 21.276
253 HD3 LYS 26 2HD LYS 26 43.436 5.188 20.876
254 HE2 LYS 26 1HE LYS 26 44.258 3.277 19.493
255 HE3 LYS 26 2HE LYS 26 45.915 3.713 19.862
256 HZ1 LYS 26 3HZ LYS 26 45.429 3.349 22.188
257 HZ2 LYS 26 1HZ LYS 26 43.886 2.941 21.843
258 HZ3 LYS 26 2HZ LYS 26 45.115 2.001 21.321
Start of MODEL 3
1 HA SER 1 HA SER 1 11.162 13.029 15.119
2 HG SER 1 HG SER 1 12.158 11.587 18.271
3 H1 SER 1 1H SER 1 9.345 11.732 14.481
4 HB2 SER 1 1HB SER 1 12.337 10.443 16.233
5 HB3 SER 1 2HB SER 1 13.162 11.989 16.205
6 H MET 2 H MET 2 13.380 13.101 13.984
7 HA MET 2 HA MET 2 13.045 11.898 11.443
8 HB2 MET 2 1HB MET 2 15.242 13.610 12.723
9 HB3 MET 2 2HB MET 2 15.311 13.102 11.048
10 HG2 MET 2 1HG MET 2 13.153 14.251 10.585
11 HG3 MET 2 2HG MET 2 13.015 14.711 12.271
12 HE1 MET 2 3HE MET 2 13.888 18.093 10.516
13 HE2 MET 2 1HE MET 2 12.889 16.768 9.873
14 HE3 MET 2 2HE MET 2 12.757 17.232 11.587
15 H TRP 3 H TRP 3 14.904 11.199 14.379
16 HA TRP 3 HA TRP 3 16.693 9.450 12.860
17 HD1 TRP 3 HD1 TRP 3 19.518 11.108 12.943
18 HE1 TRP 3 HE1 TRP 3 19.846 13.703 12.586
19 HE3 TRP 3 HE3 TRP 3 15.674 12.539 15.948
20 HZ2 TRP 3 HZ2 TRP 3 18.489 16.010 13.578
21 HZ3 TRP 3 HZ3 TRP 3 15.243 14.980 16.199
22 HH2 TRP 3 HH2 TRP 3 16.577 16.692 15.074
23 HB2 TRP 3 1HB TRP 3 16.976 10.378 15.719
24 HB3 TRP 3 2HB TRP 3 18.178 9.570 14.732
25 H SER 4 H SER 4 17.030 7.241 13.636
26 HA SER 4 HA SER 4 15.242 6.280 15.639
27 HG SER 4 HG SER 4 14.489 3.565 14.000
28 HB2 SER 4 1HB SER 4 13.766 6.322 13.640
29 HB3 SER 4 2HB SER 4 14.929 5.361 12.747
30 H GLY 5 H GLY 5 15.695 3.939 16.142
31 HA2 GLY 5 1HA GLY 5 16.991 2.076 16.204
32 HA3 GLY 5 2HA GLY 5 17.868 2.631 14.793
33 H MET 6 H MET 6 19.734 3.995 15.022
34 HA MET 6 HA MET 6 20.446 4.914 17.612
35 HB2 MET 6 1HB MET 6 22.599 3.573 17.689
36 HB3 MET 6 2HB MET 6 21.173 2.565 17.839
37 HG2 MET 6 1HG MET 6 21.296 2.136 15.327
38 HG3 MET 6 2HG MET 6 22.815 3.010 15.299
39 HE1 MET 6 3HE MET 6 25.289 0.851 17.181
40 HE2 MET 6 1HE MET 6 24.946 2.317 16.232
41 HE3 MET 6 2HE MET 6 24.397 2.202 17.921
42 H TRP 7 H TRP 7 19.944 6.136 15.046
43 HA TRP 7 HA TRP 7 22.353 6.450 13.593
44 HD1 TRP 7 HD1 TRP 7 23.337 7.913 12.181
45 HE1 TRP 7 HE1 TRP 7 23.702 9.458 10.073
46 HE3 TRP 7 HE3 TRP 7 18.417 8.958 11.441
47 HZ2 TRP 7 HZ2 TRP 7 21.931 10.912 8.372
48 HZ3 TRP 7 HZ3 TRP 7 17.820 10.447 9.534
49 HH2 TRP 7 HH2 TRP 7 19.484 11.413 8.027
50 HB2 TRP 7 1HB TRP 7 20.066 6.661 12.652
51 HB3 TRP 7 2HB TRP 7 19.849 8.143 13.560
52 H ARG 8 H ARG 8 20.760 8.064 16.345
53 HA ARG 8 HA ARG 8 22.233 10.414 16.215
54 HE ARG 8 HE ARG 8 20.236 12.537 18.920
55 HB2 ARG 8 1HB ARG 8 20.846 8.987 18.534
56 HB3 ARG 8 2HB ARG 8 21.571 10.574 18.707
57 HG2 ARG 8 1HG ARG 8 20.110 11.414 16.829
58 HG3 ARG 8 2HG ARG 8 19.354 9.836 16.737
59 HD2 ARG 8 1HD ARG 8 17.900 11.174 18.109
60 HD3 ARG 8 2HD ARG 8 18.729 10.097 19.214
61 HH11 ARG 8 1HH1 ARG 8 17.253 11.345 20.355
62 HH12 ARG 8 2HH1 ARG 8 17.295 12.458 21.682
63 HH21 ARG 8 1HH2 ARG 8 20.289 14.013 20.667
64 HH22 ARG 8 2HH2 ARG 8 19.016 14.009 21.841
65 H ARG 9 H ARG 9 22.812 7.195 17.670
66 HA ARG 9 HA ARG 9 25.012 8.055 19.201
67 HE ARG 9 HE ARG 9 21.878 5.690 22.119
68 HB2 ARG 9 1HB ARG 9 24.121 5.275 18.286
69 HB3 ARG 9 2HB ARG 9 25.433 5.543 19.415
70 HG2 ARG 9 1HG ARG 9 23.814 6.808 20.910
71 HG3 ARG 9 2HG ARG 9 22.520 6.373 19.811
72 HD2 ARG 9 1HD ARG 9 23.029 3.940 20.192
73 HD3 ARG 9 2HD ARG 9 24.301 4.390 21.312
74 HH11 ARG 9 1HH1 ARG 9 23.283 2.467 21.959
75 HH12 ARG 9 2HH1 ARG 9 22.385 1.869 23.314
76 HH21 ARG 9 1HH2 ARG 9 20.682 4.898 23.898
77 HH22 ARG 9 2HH2 ARG 9 20.885 3.257 24.414
78 H LYS 10 H LYS 10 24.488 6.777 15.909
79 HA LYS 10 HA LYS 10 27.206 6.253 15.344
80 HB2 LYS 10 1HB LYS 10 24.676 6.532 13.765
81 HB3 LYS 10 2HB LYS 10 26.204 6.595 12.912
82 HG2 LYS 10 1HG LYS 10 26.877 4.417 13.895
83 HG3 LYS 10 2HG LYS 10 25.400 4.362 14.836
84 HD2 LYS 10 1HD LYS 10 24.044 4.309 12.754
85 HD3 LYS 10 2HD LYS 10 25.497 4.447 11.783
86 HE2 LYS 10 1HE LYS 10 26.331 2.281 12.764
87 HE3 LYS 10 2HE LYS 10 24.840 2.137 13.674
88 HZ1 LYS 10 3HZ LYS 10 25.033 2.263 10.743
89 HZ2 LYS 10 1HZ LYS 10 24.727 0.923 11.624
90 HZ3 LYS 10 2HZ LYS 10 23.641 2.141 11.587
91 H LEU 11 H LEU 11 25.071 9.130 15.098
92 HA LEU 11 HA LEU 11 26.990 10.676 13.693
93 HG LEU 11 HG LEU 11 24.411 10.230 12.843
94 HB2 LEU 11 1HB LEU 11 24.456 11.322 15.190
95 HB3 LEU 11 2HB LEU 11 25.451 12.562 14.451
96 HD11 LEU 11 1HD1 LEU 11 22.451 11.192 13.871
97 HD12 LEU 11 2HD1 LEU 11 22.972 12.834 13.419
98 HD13 LEU 11 3HD1 LEU 11 22.513 11.666 12.156
99 HD21 LEU 11 3HD2 LEU 11 24.624 11.867 10.980
100 HD22 LEU 11 1HD2 LEU 11 25.355 13.017 12.126
101 HD23 LEU 11 2HD2 LEU 11 26.166 11.472 11.774
102 H LYS 12 H LYS 12 26.229 10.034 17.124
103 HA LYS 12 HA LYS 12 27.893 12.043 18.173
104 HB2 LYS 12 1HB LYS 12 26.113 10.899 19.440
105 HB3 LYS 12 2HB LYS 12 27.018 9.399 19.375
106 HG2 LYS 12 1HG LYS 12 28.903 10.457 20.607
107 HG3 LYS 12 2HG LYS 12 28.052 11.988 20.627
108 HD2 LYS 12 1HD LYS 12 26.201 10.952 21.947
109 HD3 LYS 12 2HD LYS 12 27.031 9.409 21.912
110 HE2 LYS 12 1HE LYS 12 28.975 10.430 23.121
111 HE3 LYS 12 2HE LYS 12 28.141 11.970 23.159
112 HZ1 LYS 12 3HZ LYS 12 27.162 9.484 24.384
113 HZ2 LYS 12 1HZ LYS 12 27.816 10.747 25.185
114 HZ3 LYS 12 2HZ LYS 12 26.384 10.919 24.420
115 H LYS 13 H LYS 13 28.437 8.634 17.150
116 HA LYS 13 HA LYS 13 31.082 8.515 18.100
117 HB2 LYS 13 1HB LYS 13 29.677 6.545 17.624
118 HB3 LYS 13 2HB LYS 13 29.712 6.921 15.913
119 HG2 LYS 13 1HG LYS 13 32.180 6.673 15.877
120 HG3 LYS 13 2HG LYS 13 32.200 6.391 17.605
121 HD2 LYS 13 1HD LYS 13 30.802 4.342 17.292
122 HD3 LYS 13 2HD LYS 13 30.769 4.626 15.563
123 HE2 LYS 13 1HE LYS 13 33.264 4.431 15.483
124 HE3 LYS 13 2HE LYS 13 33.299 4.150 17.212
125 HZ1 LYS 13 3HZ LYS 13 31.919 2.453 15.248
126 HZ2 LYS 13 1HZ LYS 13 33.331 2.099 15.990
127 HZ3 LYS 13 2HZ LYS 13 31.951 2.191 16.859
128 H LEU 14 H LEU 14 29.576 9.591 15.025
129 HA LEU 14 HA LEU 14 31.947 9.875 13.581
130 HG LEU 14 HG LEU 14 31.324 12.267 11.936
131 HB2 LEU 14 1HB LEU 14 29.635 9.868 12.681
132 HB3 LEU 14 2HB LEU 14 29.389 11.465 13.357
133 HD11 LEU 14 1HD1 LEU 14 31.028 9.493 10.767
134 HD12 LEU 14 2HD1 LEU 14 31.816 10.844 9.917
135 HD13 LEU 14 3HD1 LEU 14 32.485 10.249 11.455
136 HD21 LEU 14 3HD2 LEU 14 29.008 12.733 11.350
137 HD22 LEU 14 1HD2 LEU 14 29.976 12.421 9.889
138 HD23 LEU 14 2HD2 LEU 14 28.883 11.164 10.516
139 H ARG 15 H ARG 15 30.098 12.238 15.620
140 HA ARG 15 HA ARG 15 31.764 14.350 15.316
141 HE ARG 15 HE ARG 15 29.938 18.191 17.159
142 HB2 ARG 15 1HB ARG 15 29.561 13.745 16.895
143 HB3 ARG 15 2HB ARG 15 30.811 13.922 18.110
144 HG2 ARG 15 1HG ARG 15 31.424 16.158 17.100
145 HG3 ARG 15 2HG ARG 15 30.095 15.982 15.971
146 HD2 ARG 15 1HD ARG 15 28.485 15.845 17.889
147 HD3 ARG 15 2HD ARG 15 29.814 16.024 19.016
148 HH11 ARG 15 1HH1 ARG 15 27.888 17.015 19.766
149 HH12 ARG 15 2HH1 ARG 15 27.319 18.592 20.201
150 HH21 ARG 15 1HH2 ARG 15 29.188 20.272 17.735
151 HH22 ARG 15 2HH2 ARG 15 28.062 20.457 19.037
152 H ASN 16 H ASN 16 31.918 11.720 17.829
153 HA ASN 16 HA ASN 16 33.995 12.759 19.250
154 HB2 ASN 16 1HB ASN 16 32.576 10.780 19.915
155 HB3 ASN 16 2HB ASN 16 33.394 9.801 18.715
156 HD21 ASN 16 1HD2 ASN 16 33.781 11.664 21.670
157 HD22 ASN 16 2HD2 ASN 16 35.204 10.874 22.265
158 H ALA 17 H ALA 17 33.946 10.563 16.371
159 HA ALA 17 HA ALA 17 36.702 9.960 16.463
160 HB1 ALA 17 3HB ALA 17 34.659 9.781 14.212
161 HB2 ALA 17 1HB ALA 17 36.260 9.005 14.215
162 HB3 ALA 17 2HB ALA 17 35.029 8.509 15.401
163 H LEU 18 H LEU 18 34.716 12.503 14.912
164 HA LEU 18 HA LEU 18 36.749 13.404 13.179
165 HG LEU 18 HG LEU 18 35.805 16.437 13.350
166 HB2 LEU 18 1HB LEU 18 34.408 13.812 12.759
167 HB3 LEU 18 2HB LEU 18 34.252 14.721 14.249
168 HD11 LEU 18 1HD1 LEU 18 37.146 15.201 11.825
169 HD12 LEU 18 2HD1 LEU 18 35.727 14.700 10.875
170 HD13 LEU 18 3HD1 LEU 18 36.244 16.404 10.872
171 HD21 LEU 18 3HD2 LEU 18 33.385 15.872 11.614
172 HD22 LEU 18 1HD2 LEU 18 33.389 16.736 13.171
173 HD23 LEU 18 2HD2 LEU 18 34.227 17.433 11.764
174 H LYS 19 H LYS 19 35.733 14.245 16.527
175 HA LYS 19 HA LYS 19 37.461 16.470 16.722
176 HB2 LYS 19 1HB LYS 19 35.422 16.112 18.098
177 HB3 LYS 19 2HB LYS 19 36.219 14.783 18.914
178 HG2 LYS 19 1HG LYS 19 38.000 16.304 19.726
179 HG3 LYS 19 2HG LYS 19 37.295 17.642 18.838
180 HD2 LYS 19 1HD LYS 19 35.201 17.441 20.195
181 HD3 LYS 19 2HD LYS 19 35.902 16.100 21.079
182 HE2 LYS 19 1HE LYS 19 37.751 17.597 21.874
183 HE3 LYS 19 2HE LYS 19 37.039 18.936 20.997
184 HZ1 LYS 19 3HZ LYS 19 35.059 18.681 22.338
185 HZ2 LYS 19 1HZ LYS 19 35.727 17.435 23.157
186 HZ3 LYS 19 2HZ LYS 19 36.364 18.933 23.287
187 H LYS 20 H LYS 20 37.778 12.961 17.340
188 HA LYS 20 HA LYS 20 40.266 13.157 18.657
189 HB2 LYS 20 1HB LYS 20 38.615 11.230 18.715
190 HB3 LYS 20 2HB LYS 20 39.179 10.787 17.117
191 HG2 LYS 20 1HG LYS 20 41.517 10.606 17.988
192 HG3 LYS 20 2HG LYS 20 40.960 11.061 19.586
193 HD2 LYS 20 1HD LYS 20 39.459 9.050 19.624
194 HD3 LYS 20 2HD LYS 20 40.043 8.590 18.038
195 HE2 LYS 20 1HE LYS 20 42.370 8.414 18.940
196 HE3 LYS 20 2HE LYS 20 41.795 8.887 20.526
197 HZ1 LYS 20 3HZ LYS 20 41.946 6.513 20.322
198 HZ2 LYS 20 1HZ LYS 20 40.384 6.941 20.531
199 HZ3 LYS 20 2HZ LYS 20 40.919 6.500 19.052
200 H LYS 21 H LYS 21 39.226 12.984 15.241
201 HA LYS 21 HA LYS 21 41.791 12.456 14.203
202 HB2 LYS 21 1HB LYS 21 39.965 11.932 12.823
203 HB3 LYS 21 2HB LYS 21 39.199 13.489 13.062
204 HG2 LYS 21 1HG LYS 21 40.939 14.622 11.758
205 HG3 LYS 21 2HG LYS 21 41.893 13.154 11.663
206 HD2 LYS 21 1HD LYS 21 40.053 12.045 10.374
207 HD3 LYS 21 2HD LYS 21 39.106 13.518 10.461
208 HE2 LYS 21 1HE LYS 21 40.897 14.751 9.228
209 HE3 LYS 21 2HE LYS 21 41.859 13.289 9.152
210 HZ1 LYS 21 3HZ LYS 21 39.183 13.615 7.982
211 HZ2 LYS 21 1HZ LYS 21 40.590 13.610 7.154
212 HZ3 LYS 21 2HZ LYS 21 40.082 12.254 7.908
213 H LEU 22 H LEU 22 39.980 15.454 15.022
214 HA LEU 22 HA LEU 22 41.832 17.127 13.662
215 HG LEU 22 HG LEU 22 39.082 16.950 13.172
216 HB2 LEU 22 1HB LEU 22 39.584 17.648 15.603
217 HB3 LEU 22 2HB LEU 22 40.562 18.926 14.909
218 HD11 LEU 22 1HD1 LEU 22 37.250 18.585 13.003
219 HD12 LEU 22 2HD1 LEU 22 37.420 17.928 14.648
220 HD13 LEU 22 3HD1 LEU 22 38.016 19.563 14.278
221 HD21 LEU 22 3HD2 LEU 22 40.783 18.190 12.016
222 HD22 LEU 22 1HD2 LEU 22 39.191 18.826 11.537
223 HD23 LEU 22 2HD2 LEU 22 40.197 19.726 12.699
224 H LYS 23 H LYS 23 41.282 16.136 17.091
225 HA LYS 23 HA LYS 23 43.284 17.973 18.002
226 HB2 LYS 23 1HB LYS 23 41.255 17.518 19.307
227 HB3 LYS 23 2HB LYS 23 41.704 15.831 19.456
228 HG2 LYS 23 1HG LYS 23 43.737 16.423 20.708
229 HG3 LYS 23 2HG LYS 23 43.458 18.131 20.435
230 HD2 LYS 23 1HD LYS 23 41.377 18.048 21.765
231 HD3 LYS 23 2HD LYS 23 41.528 16.312 21.952
232 HE2 LYS 23 1HE LYS 23 43.754 16.693 23.125
233 HE3 LYS 23 2HE LYS 23 43.455 18.418 23.042
234 HZ1 LYS 23 3HZ LYS 23 42.709 17.575 25.116
235 HZ2 LYS 23 1HZ LYS 23 41.389 18.016 24.260
236 HZ3 LYS 23 2HZ LYS 23 41.773 16.437 24.411
237 H GLY 24 H GLY 24 42.929 14.378 17.718
238 HA2 GLY 24 1HA GLY 24 44.616 12.933 17.097
239 HA3 GLY 24 2HA GLY 24 45.817 14.181 17.369
240 H GLU 25 H GLU 25 43.214 12.667 19.423
241 HA GLU 25 HA GLU 25 45.118 12.469 21.563
242 HB2 GLU 25 1HB GLU 25 42.185 11.645 21.413
243 HB3 GLU 25 2HB GLU 25 43.157 11.633 22.871
244 HG2 GLU 25 1HG GLU 25 43.603 14.138 22.447
245 HG3 GLU 25 2HG GLU 25 42.375 14.061 21.199
246 H LYS 26 H LYS 26 45.502 10.379 22.716
247 HA LYS 26 HA LYS 26 46.015 8.243 20.963
248 HB2 LYS 26 1HB LYS 26 47.283 8.717 23.036
249 HB3 LYS 26 2HB LYS 26 45.882 8.282 23.993
250 HG2 LYS 26 1HG LYS 26 45.907 5.988 23.027
251 HG3 LYS 26 2HG LYS 26 47.267 6.417 22.008
252 HD2 LYS 26 1HD LYS 26 48.650 6.875 24.041
253 HD3 LYS 26 2HD LYS 26 47.289 6.459 25.064
254 HE2 LYS 26 1HE LYS 26 47.265 4.150 24.092
255 HE3 LYS 26 2HE LYS 26 48.625 4.566 23.067
256 HZ1 LYS 26 3HZ LYS 26 48.644 4.609 26.006
257 HZ2 LYS 26 1HZ LYS 26 49.336 3.468 25.065
258 HZ3 LYS 26 2HZ LYS 26 49.911 4.997 25.052
Start of MODEL 4
1 HA SER 1 HA SER 1 11.286 9.816 13.758
2 HG SER 1 HG SER 1 9.790 9.447 15.887
3 H1 SER 1 1H SER 1 12.601 7.238 13.628
4 HB2 SER 1 1HB SER 1 12.430 8.334 16.167
5 HB3 SER 1 2HB SER 1 11.946 10.018 16.186
6 H MET 2 H MET 2 12.827 11.609 14.158
7 HA MET 2 HA MET 2 15.248 11.064 12.810
8 HB2 MET 2 1HB MET 2 14.029 13.527 14.157
9 HB3 MET 2 2HB MET 2 15.605 13.595 13.397
10 HG2 MET 2 1HG MET 2 13.155 12.571 11.901
11 HG3 MET 2 2HG MET 2 13.556 14.277 11.950
12 HE1 MET 2 3HE MET 2 14.733 13.210 8.378
13 HE2 MET 2 1HE MET 2 13.320 12.605 9.279
14 HE3 MET 2 2HE MET 2 13.736 14.335 9.331
15 H TRP 3 H TRP 3 17.331 10.831 13.609
16 HA TRP 3 HA TRP 3 18.971 10.543 15.068
17 HD1 TRP 3 HD1 TRP 3 17.047 14.856 16.303
18 HE1 TRP 3 HE1 TRP 3 17.062 16.394 14.159
19 HE3 TRP 3 HE3 TRP 3 19.802 11.703 13.418
20 HZ2 TRP 3 HZ2 TRP 3 18.199 16.125 11.555
21 HZ3 TRP 3 HZ3 TRP 3 20.320 12.417 11.087
22 HH2 TRP 3 HH2 TRP 3 19.567 14.543 10.146
23 HB2 TRP 3 1HB TRP 3 17.872 12.489 17.023
24 HB3 TRP 3 2HB TRP 3 19.502 12.302 16.405
25 H SER 4 H SER 4 17.241 8.512 15.206
26 HA SER 4 HA SER 4 17.107 8.035 18.061
27 HG SER 4 HG SER 4 14.907 7.069 18.975
28 HB2 SER 4 1HB SER 4 14.819 8.686 17.339
29 HB3 SER 4 2HB SER 4 14.841 7.442 16.106
30 H GLY 5 H GLY 5 17.253 5.726 18.618
31 HA2 GLY 5 1HA GLY 5 18.031 3.630 18.336
32 HA3 GLY 5 2HA GLY 5 17.605 3.724 16.639
33 H MET 6 H MET 6 19.538 2.730 15.880
34 HA MET 6 HA MET 6 22.047 3.862 16.553
35 HB2 MET 6 1HB MET 6 21.094 1.935 14.367
36 HB3 MET 6 2HB MET 6 22.781 2.358 14.575
37 HG2 MET 6 1HG MET 6 22.673 1.519 16.953
38 HG3 MET 6 2HG MET 6 21.007 1.043 16.691
39 HE1 MET 6 3HE MET 6 23.288 -0.934 17.655
40 HE2 MET 6 1HE MET 6 21.595 -1.419 17.398
41 HE3 MET 6 2HE MET 6 22.914 -2.373 16.676
42 H TRP 7 H TRP 7 21.413 6.167 16.051
43 HA TRP 7 HA TRP 7 22.157 6.774 13.322
44 HD1 TRP 7 HD1 TRP 7 22.266 8.707 12.114
45 HE1 TRP 7 HE1 TRP 7 21.524 10.268 10.120
46 HE3 TRP 7 HE3 TRP 7 17.270 7.988 12.722
47 HZ2 TRP 7 HZ2 TRP 7 18.986 11.011 9.046
48 HZ3 TRP 7 HZ3 TRP 7 15.728 9.167 11.159
49 HH2 TRP 7 HH2 TRP 7 16.513 10.637 9.370
50 HB2 TRP 7 1HB TRP 7 19.657 6.473 13.332
51 HB3 TRP 7 2HB TRP 7 19.555 7.838 14.425
52 H ARG 8 H ARG 8 20.690 8.228 16.329
53 HA ARG 8 HA ARG 8 22.279 10.488 16.258
54 HE ARG 8 HE ARG 8 21.919 13.277 20.231
55 HB2 ARG 8 1HB ARG 8 20.171 10.102 17.651
56 HB3 ARG 8 2HB ARG 8 21.129 9.122 18.743
57 HG2 ARG 8 1HG ARG 8 22.591 11.040 19.261
58 HG3 ARG 8 2HG ARG 8 21.777 12.029 18.065
59 HD2 ARG 8 1HD ARG 8 19.630 11.800 19.357
60 HD3 ARG 8 2HD ARG 8 20.468 10.846 20.564
61 HH11 ARG 8 1HH1 ARG 8 18.812 12.168 21.456
62 HH12 ARG 8 2HH1 ARG 8 18.642 13.480 22.576
63 HH21 ARG 8 1HH2 ARG 8 21.691 15.011 21.702
64 HH22 ARG 8 2HH2 ARG 8 20.291 15.106 22.717
65 H ARG 9 H ARG 9 22.746 7.212 17.639
66 HA ARG 9 HA ARG 9 24.987 7.892 19.159
67 HE ARG 9 HE ARG 9 22.029 5.360 22.047
68 HB2 ARG 9 1HB ARG 9 23.988 5.233 18.033
69 HB3 ARG 9 2HB ARG 9 25.378 5.341 19.095
70 HG2 ARG 9 1HG ARG 9 23.907 6.517 20.803
71 HG3 ARG 9 2HG ARG 9 22.532 6.232 19.755
72 HD2 ARG 9 1HD ARG 9 22.943 3.764 19.883
73 HD3 ARG 9 2HD ARG 9 24.323 4.046 20.926
74 HH11 ARG 9 1HH1 ARG 9 23.286 2.121 21.492
75 HH12 ARG 9 2HH1 ARG 9 22.488 1.437 22.868
76 HH21 ARG 9 1HH2 ARG 9 20.965 4.456 23.855
77 HH22 ARG 9 2HH2 ARG 9 21.145 2.771 24.211
78 H LYS 10 H LYS 10 24.438 6.882 15.776
79 HA LYS 10 HA LYS 10 27.160 6.318 15.211
80 HB2 LYS 10 1HB LYS 10 24.635 6.649 13.634
81 HB3 LYS 10 2HB LYS 10 26.165 6.724 12.785
82 HG2 LYS 10 1HG LYS 10 26.820 4.522 13.827
83 HG3 LYS 10 2HG LYS 10 25.249 4.442 14.600
84 HD2 LYS 10 1HD LYS 10 24.121 4.430 12.399
85 HD3 LYS 10 2HD LYS 10 25.653 4.646 11.578
86 HE2 LYS 10 1HE LYS 10 26.447 2.455 12.564
87 HE3 LYS 10 2HE LYS 10 24.863 2.233 13.280
88 HZ1 LYS 10 3HZ LYS 10 25.026 1.120 11.178
89 HZ2 LYS 10 1HZ LYS 10 23.923 2.319 11.065
90 HZ3 LYS 10 2HZ LYS 10 25.404 2.507 10.404
91 H LEU 11 H LEU 11 25.049 9.216 15.045
92 HA LEU 11 HA LEU 11 26.976 10.782 13.675
93 HG LEU 11 HG LEU 11 24.365 10.353 12.856
94 HB2 LEU 11 1HB LEU 11 24.463 11.427 15.208
95 HB3 LEU 11 2HB LEU 11 25.459 12.661 14.462
96 HD11 LEU 11 1HD1 LEU 11 22.472 11.800 12.211
97 HD12 LEU 11 2HD1 LEU 11 22.440 11.350 13.933
98 HD13 LEU 11 3HD1 LEU 11 22.972 12.977 13.449
99 HD21 LEU 11 3HD2 LEU 11 24.582 11.981 10.994
100 HD22 LEU 11 1HD2 LEU 11 25.318 13.136 12.131
101 HD23 LEU 11 2HD2 LEU 11 26.131 11.592 11.781
102 H LYS 12 H LYS 12 26.232 10.037 17.085
103 HA LYS 12 HA LYS 12 27.904 12.028 18.174
104 HB2 LYS 12 1HB LYS 12 26.103 10.907 19.422
105 HB3 LYS 12 2HB LYS 12 26.968 9.386 19.332
106 HG2 LYS 12 1HG LYS 12 28.873 10.363 20.592
107 HG3 LYS 12 2HG LYS 12 28.074 11.922 20.630
108 HD2 LYS 12 1HD LYS 12 26.185 10.935 21.928
109 HD3 LYS 12 2HD LYS 12 26.956 9.362 21.871
110 HE2 LYS 12 1HE LYS 12 28.933 10.289 23.103
111 HE3 LYS 12 2HE LYS 12 28.157 11.860 23.164
112 HZ1 LYS 12 3HZ LYS 12 27.779 10.617 25.168
113 HZ2 LYS 12 1HZ LYS 12 26.358 10.857 24.401
114 HZ3 LYS 12 2HZ LYS 12 27.079 9.394 24.344
115 H LYS 13 H LYS 13 28.402 8.621 17.121
116 HA LYS 13 HA LYS 13 31.046 8.448 18.054
117 HB2 LYS 13 1HB LYS 13 29.630 6.505 17.519
118 HB3 LYS 13 2HB LYS 13 29.647 6.942 15.822
119 HG2 LYS 13 1HG LYS 13 32.109 6.670 15.740
120 HG3 LYS 13 2HG LYS 13 32.155 6.338 17.461
121 HD2 LYS 13 1HD LYS 13 30.733 4.310 17.110
122 HD3 LYS 13 2HD LYS 13 30.678 4.643 15.391
123 HE2 LYS 13 1HE LYS 13 33.170 4.430 15.267
124 HE3 LYS 13 2HE LYS 13 33.228 4.102 16.988
125 HZ1 LYS 13 3HZ LYS 13 31.861 2.163 16.605
126 HZ2 LYS 13 1HZ LYS 13 31.806 2.468 15.002
127 HZ3 LYS 13 2HZ LYS 13 33.225 2.084 15.711
128 H LEU 14 H LEU 14 29.562 9.615 14.997
129 HA LEU 14 HA LEU 14 31.943 9.896 13.573
130 HG LEU 14 HG LEU 14 31.337 12.337 11.969
131 HB2 LEU 14 1HB LEU 14 29.644 9.921 12.650
132 HB3 LEU 14 2HB LEU 14 29.394 11.503 13.358
133 HD11 LEU 14 1HD1 LEU 14 32.508 10.331 11.462
134 HD12 LEU 14 2HD1 LEU 14 31.061 9.586 10.742
135 HD13 LEU 14 3HD1 LEU 14 31.855 10.955 9.928
136 HD21 LEU 14 3HD2 LEU 14 29.025 12.807 11.370
137 HD22 LEU 14 1HD2 LEU 14 30.009 12.528 9.913
138 HD23 LEU 14 2HD2 LEU 14 28.914 11.255 10.504
139 H ARG 15 H ARG 15 30.105 12.242 15.642
140 HA ARG 15 HA ARG 15 31.789 14.347 15.363
141 HE ARG 15 HE ARG 15 29.993 18.188 17.238
142 HB2 ARG 15 1HB ARG 15 29.571 13.745 16.921
143 HB3 ARG 15 2HB ARG 15 30.814 13.901 18.146
144 HG2 ARG 15 1HG ARG 15 31.453 16.141 17.149
145 HG3 ARG 15 2HG ARG 15 30.117 15.986 16.025
146 HD2 ARG 15 1HD ARG 15 28.513 15.859 17.942
147 HD3 ARG 15 2HD ARG 15 29.845 15.994 19.071
148 HH11 ARG 15 1HH1 ARG 15 27.954 17.009 19.852
149 HH12 ARG 15 2HH1 ARG 15 27.445 18.591 20.341
150 HH21 ARG 15 1HH2 ARG 15 29.324 20.276 17.883
151 HH22 ARG 15 2HH2 ARG 15 28.222 20.461 19.207
152 H ASN 16 H ASN 16 31.911 11.683 17.840
153 HA ASN 16 HA ASN 16 33.966 12.732 19.299
154 HB2 ASN 16 1HB ASN 16 32.491 10.751 19.917
155 HB3 ASN 16 2HB ASN 16 33.404 9.763 18.793
156 HD21 ASN 16 1HD2 ASN 16 33.861 8.452 20.646
157 HD22 ASN 16 2HD2 ASN 16 35.175 8.843 21.704
158 H ALA 17 H ALA 17 33.941 10.526 16.433
159 HA ALA 17 HA ALA 17 36.691 9.913 16.531
160 HB1 ALA 17 3HB ALA 17 34.663 9.798 14.262
161 HB2 ALA 17 1HB ALA 17 36.263 9.020 14.252
162 HB3 ALA 17 2HB ALA 17 35.025 8.495 15.418
163 H LEU 18 H LEU 18 34.725 12.448 14.905
164 HA LEU 18 HA LEU 18 36.790 13.383 13.254
165 HG LEU 18 HG LEU 18 35.880 16.411 13.448
166 HB2 LEU 18 1HB LEU 18 34.458 13.811 12.810
167 HB3 LEU 18 2HB LEU 18 34.287 14.701 14.311
168 HD11 LEU 18 1HD1 LEU 18 36.313 16.417 10.973
169 HD12 LEU 18 2HD1 LEU 18 37.193 15.174 11.895
170 HD13 LEU 18 3HD1 LEU 18 35.759 14.726 10.939
171 HD21 LEU 18 3HD2 LEU 18 33.442 15.914 11.719
172 HD22 LEU 18 1HD2 LEU 18 33.471 16.755 13.287
173 HD23 LEU 18 2HD2 LEU 18 34.310 17.458 11.885
174 H LYS 19 H LYS 19 35.769 14.143 16.613
175 HA LYS 19 HA LYS 19 37.459 16.380 16.882
176 HB2 LYS 19 1HB LYS 19 35.487 15.996 18.286
177 HB3 LYS 19 2HB LYS 19 36.223 14.560 18.968
178 HG2 LYS 19 1HG LYS 19 38.069 15.905 19.917
179 HG3 LYS 19 2HG LYS 19 37.449 17.353 19.146
180 HD2 LYS 19 1HD LYS 19 35.344 17.170 20.477
181 HD3 LYS 19 2HD LYS 19 35.944 15.710 21.237
182 HE2 LYS 19 1HE LYS 19 37.885 17.000 22.169
183 HE3 LYS 19 2HE LYS 19 37.265 18.460 21.422
184 HZ1 LYS 19 3HZ LYS 19 35.857 16.850 23.438
185 HZ2 LYS 19 1HZ LYS 19 36.572 18.295 23.696
186 HZ3 LYS 19 2HZ LYS 19 35.260 18.195 22.730
187 H LYS 20 H LYS 20 37.832 12.860 17.555
188 HA LYS 20 HA LYS 20 40.286 13.079 18.870
189 HB2 LYS 20 1HB LYS 20 38.679 11.114 18.822
190 HB3 LYS 20 2HB LYS 20 39.313 10.723 17.235
191 HG2 LYS 20 1HG LYS 20 41.645 10.665 18.244
192 HG3 LYS 20 2HG LYS 20 40.926 10.908 19.823
193 HD2 LYS 20 1HD LYS 20 39.620 8.811 19.585
194 HD3 LYS 20 2HD LYS 20 40.244 8.582 17.963
195 HE2 LYS 20 1HE LYS 20 42.558 8.390 18.849
196 HE3 LYS 20 2HE LYS 20 41.982 8.703 20.475
197 HZ1 LYS 20 3HZ LYS 20 42.230 6.359 20.045
198 HZ2 LYS 20 1HZ LYS 20 40.662 6.709 20.338
199 HZ3 LYS 20 2HZ LYS 20 41.163 6.423 18.810
200 H LYS 21 H LYS 21 39.382 12.910 15.407
201 HA LYS 21 HA LYS 21 42.084 12.490 14.576
202 HB2 LYS 21 1HB LYS 21 39.493 13.064 13.128
203 HB3 LYS 21 2HB LYS 21 41.027 12.957 12.288
204 HG2 LYS 21 1HG LYS 21 41.381 10.663 13.132
205 HG3 LYS 21 2HG LYS 21 39.929 10.763 14.107
206 HD2 LYS 21 1HD LYS 21 38.548 11.025 12.047
207 HD3 LYS 21 2HD LYS 21 39.994 10.967 11.059
208 HE2 LYS 21 1HE LYS 21 40.483 8.660 11.968
209 HE3 LYS 21 2HE LYS 21 38.983 8.723 12.871
210 HZ1 LYS 21 3HZ LYS 21 38.690 7.616 10.781
211 HZ2 LYS 21 1HZ LYS 21 37.812 8.993 10.786
212 HZ3 LYS 21 2HZ LYS 21 39.212 8.921 9.948
213 H LEU 22 H LEU 22 39.907 15.253 15.132
214 HA LEU 22 HA LEU 22 41.431 17.086 13.611
215 HG LEU 22 HG LEU 22 40.740 19.540 15.392
216 HB2 LEU 22 1HB LEU 22 39.072 17.395 14.053
217 HB3 LEU 22 2HB LEU 22 39.363 17.468 15.779
218 HD11 LEU 22 1HD1 LEU 22 39.660 19.236 12.581
219 HD12 LEU 22 2HD1 LEU 22 40.330 20.750 13.237
220 HD13 LEU 22 3HD1 LEU 22 41.362 19.306 13.100
221 HD21 LEU 22 3HD2 LEU 22 38.801 21.019 15.113
222 HD22 LEU 22 1HD2 LEU 22 37.831 19.639 14.544
223 HD23 LEU 22 2HD2 LEU 22 38.451 19.664 16.213
224 H LYS 23 H LYS 23 41.309 16.165 17.099
225 HA LYS 23 HA LYS 23 43.347 18.014 17.814
226 HB2 LYS 23 1HB LYS 23 41.677 17.252 19.419
227 HB3 LYS 23 2HB LYS 23 42.212 15.593 19.243
228 HG2 LYS 23 1HG LYS 23 44.444 16.170 20.135
229 HG3 LYS 23 2HG LYS 23 44.012 17.868 20.200
230 HD2 LYS 23 1HD LYS 23 42.293 17.433 21.896
231 HD3 LYS 23 2HD LYS 23 42.502 15.702 21.734
232 HE2 LYS 23 1HE LYS 23 44.932 16.008 22.472
233 HE3 LYS 23 2HE LYS 23 44.561 17.687 22.805
234 HZ1 LYS 23 3HZ LYS 23 43.283 15.352 24.047
235 HZ2 LYS 23 1HZ LYS 23 44.294 16.411 24.769
236 HZ3 LYS 23 2HZ LYS 23 42.807 16.894 24.297
237 H GLY 24 H GLY 24 43.207 14.555 16.844
238 HA2 GLY 24 1HA GLY 24 44.873 13.453 15.706
239 HA3 GLY 24 2HA GLY 24 46.017 14.719 16.108
240 H GLU 25 H GLU 25 43.841 12.669 18.179
241 HA GLU 25 HA GLU 25 46.094 12.150 19.880
242 HB2 GLU 25 1HB GLU 25 43.173 11.294 20.094
243 HB3 GLU 25 2HB GLU 25 44.387 11.018 21.328
244 HG2 GLU 25 1HG GLU 25 44.788 13.560 21.345
245 HG3 GLU 25 2HG GLU 25 43.375 13.714 20.321
246 H LYS 26 H LYS 26 46.721 9.924 20.523
247 HA LYS 26 HA LYS 26 47.001 8.248 18.284
248 HB2 LYS 26 1HB LYS 26 47.556 7.861 21.235
249 HB3 LYS 26 2HB LYS 26 47.928 6.649 20.026
250 HG2 LYS 26 1HG LYS 26 49.344 8.307 18.797
251 HG3 LYS 26 2HG LYS 26 48.969 9.523 20.002
252 HD2 LYS 26 1HD LYS 26 50.007 8.088 21.772
253 HD3 LYS 26 2HD LYS 26 50.383 6.873 20.567
254 HE2 LYS 26 1HE LYS 26 51.800 8.534 19.336
255 HE3 LYS 26 2HE LYS 26 51.424 9.748 20.542
256 HZ1 LYS 26 3HZ LYS 26 52.437 8.329 22.198
257 HZ2 LYS 26 1HZ LYS 26 52.787 7.198 21.073
258 HZ3 LYS 26 2HZ LYS 26 53.501 8.665 21.005
Start of MODEL 5
1 HA SER 1 HA SER 1 13.480 9.970 3.910
2 HG SER 1 HG SER 1 17.085 10.077 3.198
3 H1 SER 1 1H SER 1 13.719 11.871 2.564
4 HB2 SER 1 1HB SER 1 15.342 8.526 3.053
5 HB3 SER 1 2HB SER 1 14.607 9.513 1.805
6 H MET 2 H MET 2 13.506 10.286 6.177
7 HA MET 2 HA MET 2 15.868 10.982 7.527
8 HB2 MET 2 1HB MET 2 13.159 9.834 8.367
9 HB3 MET 2 2HB MET 2 14.406 10.169 9.552
10 HG2 MET 2 1HG MET 2 13.412 12.273 7.575
11 HG3 MET 2 2HG MET 2 12.691 12.049 9.156
12 HE1 MET 2 3HE MET 2 13.217 14.552 9.703
13 HE2 MET 2 1HE MET 2 14.840 15.280 9.629
14 HE3 MET 2 2HE MET 2 14.020 14.780 8.131
15 H TRP 3 H TRP 3 16.973 9.619 9.208
16 HA TRP 3 HA TRP 3 17.186 6.872 8.186
17 HD1 TRP 3 HD1 TRP 3 20.089 6.375 6.544
18 HE1 TRP 3 HE1 TRP 3 20.590 7.734 4.337
19 HE3 TRP 3 HE3 TRP 3 18.490 10.864 8.318
20 HZ2 TRP 3 HZ2 TRP 3 20.271 10.471 3.599
21 HZ3 TRP 3 HZ3 TRP 3 18.620 12.830 6.790
22 HH2 TRP 3 HH2 TRP 3 19.472 12.686 4.504
23 HB2 TRP 3 1HB TRP 3 19.266 8.654 9.467
24 HB3 TRP 3 2HB TRP 3 19.503 6.960 9.086
25 H SER 4 H SER 4 17.885 5.263 9.945
26 HA SER 4 HA SER 4 17.199 6.043 12.604
27 HG SER 4 HG SER 4 15.556 4.145 9.979
28 HB2 SER 4 1HB SER 4 15.407 4.335 12.868
29 HB3 SER 4 2HB SER 4 14.958 5.589 11.729
30 H GLY 5 H GLY 5 17.497 4.080 14.141
31 HA2 GLY 5 1HA GLY 5 18.447 2.004 14.592
32 HA3 GLY 5 2HA GLY 5 19.166 1.964 12.994
33 H MET 6 H MET 6 19.377 3.455 16.255
34 HA MET 6 HA MET 6 21.009 4.395 17.343
35 HB2 MET 6 1HB MET 6 22.803 2.718 15.500
36 HB3 MET 6 2HB MET 6 23.281 3.368 17.056
37 HG2 MET 6 1HG MET 6 21.446 2.013 18.148
38 HG3 MET 6 2HG MET 6 21.063 1.315 16.586
39 HE1 MET 6 3HE MET 6 21.692 -0.540 18.941
40 HE2 MET 6 1HE MET 6 21.467 -1.135 17.279
41 HE3 MET 6 2HE MET 6 22.864 -1.680 18.239
42 H TRP 7 H TRP 7 20.047 5.940 15.137
43 HA TRP 7 HA TRP 7 22.119 6.698 13.382
44 HD1 TRP 7 HD1 TRP 7 22.636 8.424 11.893
45 HE1 TRP 7 HE1 TRP 7 22.492 10.582 10.381
46 HE3 TRP 7 HE3 TRP 7 17.783 9.493 12.969
47 HZ2 TRP 7 HZ2 TRP 7 20.411 12.452 9.818
48 HZ3 TRP 7 HZ3 TRP 7 16.771 11.503 11.896
49 HH2 TRP 7 HH2 TRP 7 18.004 12.960 10.369
50 HB2 TRP 7 1HB TRP 7 19.770 6.862 12.791
51 HB3 TRP 7 2HB TRP 7 19.491 8.025 14.071
52 H ARG 8 H ARG 8 20.732 8.042 16.439
53 HA ARG 8 HA ARG 8 22.180 10.414 16.279
54 HE ARG 8 HE ARG 8 17.597 11.676 17.133
55 HB2 ARG 8 1HB ARG 8 20.829 8.965 18.604
56 HB3 ARG 8 2HB ARG 8 21.578 10.538 18.799
57 HG2 ARG 8 1HG ARG 8 20.098 11.461 16.998
58 HG3 ARG 8 2HG ARG 8 19.344 9.890 16.817
59 HD2 ARG 8 1HD ARG 8 18.585 9.976 19.203
60 HD3 ARG 8 2HD ARG 8 19.344 11.546 19.389
61 HH11 ARG 8 1HH1 ARG 8 17.431 11.349 20.633
62 HH12 ARG 8 2HH1 ARG 8 15.871 12.093 20.756
63 HH21 ARG 8 1HH2 ARG 8 15.541 12.659 17.295
64 HH22 ARG 8 2HH2 ARG 8 14.789 12.844 18.846
65 H ARG 9 H ARG 9 22.826 7.181 17.654
66 HA ARG 9 HA ARG 9 25.041 8.047 19.170
67 HE ARG 9 HE ARG 9 21.920 5.555 22.081
68 HB2 ARG 9 1HB ARG 9 24.136 5.273 18.249
69 HB3 ARG 9 2HB ARG 9 25.486 5.529 19.337
70 HG2 ARG 9 1HG ARG 9 23.882 6.820 20.868
71 HG3 ARG 9 2HG ARG 9 22.573 6.287 19.833
72 HD2 ARG 9 1HD ARG 9 23.204 3.899 20.268
73 HD3 ARG 9 2HD ARG 9 24.509 4.435 21.309
74 HH11 ARG 9 1HH1 ARG 9 23.783 2.582 22.233
75 HH12 ARG 9 2HH1 ARG 9 23.273 2.186 23.839
76 HH21 ARG 9 1HH2 ARG 9 21.216 5.025 24.200
77 HH22 ARG 9 2HH2 ARG 9 21.726 3.537 24.926
78 H LYS 10 H LYS 10 24.456 6.895 15.858
79 HA LYS 10 HA LYS 10 27.171 6.359 15.245
80 HB2 LYS 10 1HB LYS 10 24.614 6.655 13.712
81 HB3 LYS 10 2HB LYS 10 26.128 6.742 12.835
82 HG2 LYS 10 1HG LYS 10 26.821 4.546 13.685
83 HG3 LYS 10 2HG LYS 10 25.440 4.475 14.761
84 HD2 LYS 10 1HD LYS 10 23.897 4.475 12.798
85 HD3 LYS 10 2HD LYS 10 25.268 4.577 11.711
86 HE2 LYS 10 1HE LYS 10 26.131 2.394 12.649
87 HE3 LYS 10 2HE LYS 10 24.698 2.286 13.652
88 HZ1 LYS 10 3HZ LYS 10 24.705 2.407 10.716
89 HZ2 LYS 10 1HZ LYS 10 24.430 1.072 11.615
90 HZ3 LYS 10 2HZ LYS 10 23.368 2.313 11.649
91 H LEU 11 H LEU 11 25.026 9.233 15.112
92 HA LEU 11 HA LEU 11 26.902 10.862 13.769
93 HG LEU 11 HG LEU 11 24.205 10.507 13.070
94 HB2 LEU 11 1HB LEU 11 24.460 11.419 15.442
95 HB3 LEU 11 2HB LEU 11 25.432 12.702 14.749
96 HD11 LEU 11 1HD1 LEU 11 22.438 12.193 12.502
97 HD12 LEU 11 2HD1 LEU 11 22.350 11.539 14.155
98 HD13 LEU 11 3HD1 LEU 11 23.012 13.168 13.876
99 HD21 LEU 11 3HD2 LEU 11 25.388 13.217 12.424
100 HD22 LEU 11 1HD2 LEU 11 25.988 11.614 11.934
101 HD23 LEU 11 2HD2 LEU 11 24.459 12.233 11.267
102 H LYS 12 H LYS 12 26.264 10.026 17.194
103 HA LYS 12 HA LYS 12 27.981 11.978 18.273
104 HB2 LYS 12 1HB LYS 12 26.183 10.801 19.516
105 HB3 LYS 12 2HB LYS 12 27.107 9.316 19.432
106 HG2 LYS 12 1HG LYS 12 28.991 10.408 20.655
107 HG3 LYS 12 2HG LYS 12 28.086 11.907 20.722
108 HD2 LYS 12 1HD LYS 12 26.281 10.759 22.026
109 HD3 LYS 12 2HD LYS 12 27.189 9.262 21.962
110 HE2 LYS 12 1HE LYS 12 29.084 10.360 23.179
111 HE3 LYS 12 2HE LYS 12 28.175 11.857 23.244
112 HZ1 LYS 12 3HZ LYS 12 27.327 9.307 24.435
113 HZ2 LYS 12 1HZ LYS 12 27.922 10.590 25.252
114 HZ3 LYS 12 2HZ LYS 12 26.479 10.702 24.495
115 H LYS 13 H LYS 13 28.440 8.603 17.120
116 HA LYS 13 HA LYS 13 31.087 8.387 18.052
117 HB2 LYS 13 1HB LYS 13 29.634 6.466 17.521
118 HB3 LYS 13 2HB LYS 13 29.664 6.899 15.824
119 HG2 LYS 13 1HG LYS 13 32.119 6.587 15.748
120 HG3 LYS 13 2HG LYS 13 32.160 6.267 17.470
121 HD2 LYS 13 1HD LYS 13 30.704 4.258 17.131
122 HD3 LYS 13 2HD LYS 13 30.666 4.577 15.408
123 HE2 LYS 13 1HE LYS 13 33.150 4.317 15.298
124 HE3 LYS 13 2HE LYS 13 33.201 4.021 17.024
125 HZ1 LYS 13 3HZ LYS 13 33.171 1.980 15.785
126 HZ2 LYS 13 1HZ LYS 13 31.808 2.094 16.677
127 HZ3 LYS 13 2HZ LYS 13 31.756 2.370 15.069
128 H LEU 14 H LEU 14 29.601 9.524 14.979
129 HA LEU 14 HA LEU 14 31.995 9.781 13.564
130 HG LEU 14 HG LEU 14 31.333 12.237 11.934
131 HB2 LEU 14 1HB LEU 14 29.734 9.750 12.592
132 HB3 LEU 14 2HB LEU 14 29.412 11.324 13.292
133 HD11 LEU 14 1HD1 LEU 14 32.615 10.287 11.473
134 HD12 LEU 14 2HD1 LEU 14 31.226 9.467 10.722
135 HD13 LEU 14 3HD1 LEU 14 31.973 10.870 9.919
136 HD21 LEU 14 3HD2 LEU 14 30.049 12.346 9.845
137 HD22 LEU 14 1HD2 LEU 14 29.006 11.023 10.418
138 HD23 LEU 14 2HD2 LEU 14 29.015 12.583 11.275
139 H ARG 15 H ARG 15 30.114 12.171 15.541
140 HA ARG 15 HA ARG 15 31.774 14.285 15.164
141 HE ARG 15 HE ARG 15 28.096 17.105 15.437
142 HB2 ARG 15 1HB ARG 15 29.829 13.420 17.262
143 HB3 ARG 15 2HB ARG 15 30.978 14.632 17.792
144 HG2 ARG 15 1HG ARG 15 30.356 16.093 15.876
145 HG3 ARG 15 2HG ARG 15 29.246 14.871 15.286
146 HD2 ARG 15 1HD ARG 15 27.921 15.047 17.404
147 HD3 ARG 15 2HD ARG 15 29.033 16.262 18.002
148 HH11 ARG 15 1HH1 ARG 15 26.885 16.625 18.705
149 HH12 ARG 15 2HH1 ARG 15 25.661 17.844 18.568
150 HH21 ARG 15 1HH2 ARG 15 26.483 18.713 15.255
151 HH22 ARG 15 2HH2 ARG 15 25.429 19.036 16.591
152 H ASN 16 H ASN 16 31.860 11.803 17.827
153 HA ASN 16 HA ASN 16 33.925 12.870 19.227
154 HB2 ASN 16 1HB ASN 16 32.504 10.915 19.943
155 HB3 ASN 16 2HB ASN 16 33.321 9.899 18.772
156 HD21 ASN 16 1HD2 ASN 16 33.696 11.822 21.687
157 HD22 ASN 16 2HD2 ASN 16 35.115 11.045 22.305
158 H ALA 17 H ALA 17 33.928 10.539 16.449
159 HA ALA 17 HA ALA 17 36.672 9.948 16.590
160 HB1 ALA 17 3HB ALA 17 34.672 9.745 14.302
161 HB2 ALA 17 1HB ALA 17 36.271 8.963 14.343
162 HB3 ALA 17 2HB ALA 17 35.017 8.489 15.516
163 H LEU 18 H LEU 18 34.735 12.429 14.856
164 HA LEU 18 HA LEU 18 36.828 13.257 13.168
165 HG LEU 18 HG LEU 18 35.903 16.288 13.142
166 HB2 LEU 18 1HB LEU 18 34.495 13.646 12.664
167 HB3 LEU 18 2HB LEU 18 34.308 14.638 14.096
168 HD11 LEU 18 1HD1 LEU 18 37.263 14.959 11.715
169 HD12 LEU 18 2HD1 LEU 18 35.859 14.415 10.766
170 HD13 LEU 18 3HD1 LEU 18 36.390 16.112 10.677
171 HD21 LEU 18 3HD2 LEU 18 33.513 15.650 11.389
172 HD22 LEU 18 1HD2 LEU 18 33.495 16.600 12.895
173 HD23 LEU 18 2HD2 LEU 18 34.368 17.209 11.469
174 H LYS 19 H LYS 19 35.719 14.248 16.443
175 HA LYS 19 HA LYS 19 37.434 16.483 16.593
176 HB2 LYS 19 1HB LYS 19 35.376 16.178 17.941
177 HB3 LYS 19 2HB LYS 19 36.143 14.864 18.810
178 HG2 LYS 19 1HG LYS 19 37.900 16.379 19.651
179 HG3 LYS 19 2HG LYS 19 37.275 17.699 18.680
180 HD2 LYS 19 1HD LYS 19 35.117 17.607 19.946
181 HD3 LYS 19 2HD LYS 19 35.742 16.289 20.917
182 HE2 LYS 19 1HE LYS 19 37.586 17.765 21.743
183 HE3 LYS 19 2HE LYS 19 36.972 19.084 20.764
184 HZ1 LYS 19 3HZ LYS 19 36.178 19.214 23.013
185 HZ2 LYS 19 1HZ LYS 19 34.917 18.967 22.005
186 HZ3 LYS 19 2HZ LYS 19 35.488 17.738 22.915
187 H LYS 20 H LYS 20 37.774 12.998 17.293
188 HA LYS 20 HA LYS 20 40.199 13.244 18.713
189 HB2 LYS 20 1HB LYS 20 38.572 11.295 18.718
190 HB3 LYS 20 2HB LYS 20 39.216 10.843 17.153
191 HG2 LYS 20 1HG LYS 20 41.491 10.637 18.100
192 HG3 LYS 20 2HG LYS 20 40.926 11.211 19.657
193 HD2 LYS 20 1HD LYS 20 39.407 9.236 19.843
194 HD3 LYS 20 2HD LYS 20 39.948 8.665 18.277
195 HE2 LYS 20 1HE LYS 20 41.978 9.210 20.467
196 HE3 LYS 20 2HE LYS 20 41.073 7.710 20.471
197 HZ1 LYS 20 3HZ LYS 20 41.859 7.301 18.235
198 HZ2 LYS 20 1HZ LYS 20 42.705 8.698 18.235
199 HZ3 LYS 20 2HZ LYS 20 43.117 7.494 19.258
200 H LYS 21 H LYS 21 39.325 12.955 15.250
201 HA LYS 21 HA LYS 21 41.969 12.503 14.371
202 HB2 LYS 21 1HB LYS 21 39.413 13.379 13.025
203 HB3 LYS 21 2HB LYS 21 40.925 13.286 12.145
204 HG2 LYS 21 1HG LYS 21 41.174 10.906 12.700
205 HG3 LYS 21 2HG LYS 21 39.785 10.964 13.767
206 HD2 LYS 21 1HD LYS 21 38.308 11.516 11.830
207 HD3 LYS 21 2HD LYS 21 39.695 11.490 10.757
208 HE2 LYS 21 1HE LYS 21 40.102 9.080 11.384
209 HE3 LYS 21 2HE LYS 21 38.670 9.119 12.393
210 HZ1 LYS 21 3HZ LYS 21 38.719 9.615 9.496
211 HZ2 LYS 21 1HZ LYS 21 38.181 8.256 10.224
212 HZ3 LYS 21 2HZ LYS 21 37.383 9.665 10.433
213 H LEU 22 H LEU 22 39.947 15.429 14.908
214 HA LEU 22 HA LEU 22 41.833 17.179 13.721
215 HG LEU 22 HG LEU 22 39.086 16.890 13.100
216 HB2 LEU 22 1HB LEU 22 39.463 17.612 15.538
217 HB3 LEU 22 2HB LEU 22 40.430 18.921 14.888
218 HD11 LEU 22 1HD1 LEU 22 37.241 18.493 12.815
219 HD12 LEU 22 2HD1 LEU 22 37.338 17.863 14.476
220 HD13 LEU 22 3HD1 LEU 22 37.928 19.502 14.110
221 HD21 LEU 22 3HD2 LEU 22 40.196 19.671 12.642
222 HD22 LEU 22 1HD2 LEU 22 40.814 18.131 11.997
223 HD23 LEU 22 2HD2 LEU 22 39.240 18.758 11.449
224 H LYS 23 H LYS 23 41.312 15.819 16.973
225 HA LYS 23 HA LYS 23 43.077 17.599 18.283
226 HB2 LYS 23 1HB LYS 23 41.326 16.348 19.455
227 HB3 LYS 23 2HB LYS 23 42.098 14.830 19.041
228 HG2 LYS 23 1HG LYS 23 44.157 15.550 20.287
229 HG3 LYS 23 2HG LYS 23 43.361 17.049 20.721
230 HD2 LYS 23 1HD LYS 23 41.599 15.794 21.941
231 HD3 LYS 23 2HD LYS 23 42.316 14.272 21.451
232 HE2 LYS 23 1HE LYS 23 44.447 14.943 22.651
233 HE3 LYS 23 2HE LYS 23 43.636 16.390 23.215
234 HZ1 LYS 23 3HZ LYS 23 43.505 14.640 24.828
235 HZ2 LYS 23 1HZ LYS 23 42.004 14.982 24.285
236 HZ3 LYS 23 2HZ LYS 23 42.773 13.636 23.769
237 H GLY 24 H GLY 24 43.427 14.398 16.666
238 HA2 GLY 24 1HA GLY 24 45.356 13.516 15.784
239 HA3 GLY 24 2HA GLY 24 46.307 14.774 16.546
240 H GLU 25 H GLU 25 46.214 14.692 19.123
241 HA GLU 25 HA GLU 25 46.589 13.637 20.983
242 HB2 GLU 25 1HB GLU 25 44.166 12.911 20.492
243 HB3 GLU 25 2HB GLU 25 44.823 11.369 19.979
244 HG2 GLU 25 1HG GLU 25 45.866 11.037 22.206
245 HG3 GLU 25 2HG GLU 25 45.311 12.617 22.726
246 H LYS 26 H LYS 26 48.856 13.381 20.104
247 HA LYS 26 HA LYS 26 49.737 10.691 20.233
248 HB2 LYS 26 1HB LYS 26 50.589 10.509 17.923
249 HB3 LYS 26 2HB LYS 26 48.839 10.518 18.001
250 HG2 LYS 26 1HG LYS 26 48.826 12.957 17.438
251 HG3 LYS 26 2HG LYS 26 50.577 12.950 17.363
252 HD2 LYS 26 1HD LYS 26 50.477 11.236 15.526
253 HD3 LYS 26 2HD LYS 26 48.727 11.288 15.587
254 HE2 LYS 26 1HE LYS 26 48.777 13.727 15.019
255 HE3 LYS 26 2HE LYS 26 50.528 13.677 14.960
256 HZ1 LYS 26 3HZ LYS 26 50.363 12.058 13.192
257 HZ2 LYS 26 1HZ LYS 26 48.732 12.104 13.246
258 HZ3 LYS 26 2HZ LYS 26 49.570 13.427 12.787
Start of MODEL 6
1 HA SER 1 HA SER 1 16.609 3.836 3.078
2 HG SER 1 HG SER 1 17.641 6.032 0.411
3 H1 SER 1 1H SER 1 14.789 4.377 1.607
4 HB2 SER 1 1HB SER 1 16.503 6.789 2.318
5 HB3 SER 1 2HB SER 1 17.964 5.907 2.714
6 H MET 2 H MET 2 17.765 4.277 5.073
7 HA MET 2 HA MET 2 16.792 6.290 6.812
8 HB2 MET 2 1HB MET 2 15.048 4.437 7.023
9 HB3 MET 2 2HB MET 2 16.316 3.345 7.541
10 HG2 MET 2 1HG MET 2 16.780 4.744 9.523
11 HG3 MET 2 2HG MET 2 15.639 5.957 8.977
12 HE1 MET 2 3HE MET 2 13.776 4.369 12.014
13 HE2 MET 2 1HE MET 2 15.521 4.672 11.840
14 HE3 MET 2 2HE MET 2 14.346 5.872 11.250
15 H TRP 3 H TRP 3 18.310 6.752 8.448
16 HA TRP 3 HA TRP 3 20.791 5.307 8.337
17 HD1 TRP 3 HD1 TRP 3 22.920 7.478 7.706
18 HE1 TRP 3 HE1 TRP 3 22.753 9.358 5.863
19 HE3 TRP 3 HE3 TRP 3 18.214 8.975 8.915
20 HZ2 TRP 3 HZ2 TRP 3 20.715 11.219 5.132
21 HZ3 TRP 3 HZ3 TRP 3 17.209 10.829 7.587
22 HH2 TRP 3 HH2 TRP 3 18.380 11.942 5.752
23 HB2 TRP 3 1HB TRP 3 19.886 7.595 10.096
24 HB3 TRP 3 2HB TRP 3 21.515 6.952 10.022
25 H SER 4 H SER 4 19.768 3.179 8.933
26 HA SER 4 HA SER 4 18.452 2.951 11.397
27 HG SER 4 HG SER 4 17.023 1.645 9.781
28 HB2 SER 4 1HB SER 4 19.793 0.799 9.698
29 HB3 SER 4 2HB SER 4 18.649 0.500 10.992
30 H GLY 5 H GLY 5 19.225 1.797 13.344
31 HA2 GLY 5 1HA GLY 5 20.848 0.880 14.701
32 HA3 GLY 5 2HA GLY 5 22.092 1.315 13.546
33 H MET 6 H MET 6 19.516 3.169 15.335
34 HA MET 6 HA MET 6 19.591 5.108 16.336
35 HB2 MET 6 1HB MET 6 22.213 3.887 17.357
36 HB3 MET 6 2HB MET 6 21.486 5.311 18.073
37 HG2 MET 6 1HG MET 6 20.002 2.656 17.793
38 HG3 MET 6 2HG MET 6 20.921 3.086 19.221
39 HE1 MET 6 3HE MET 6 18.658 2.699 20.585
40 HE2 MET 6 1HE MET 6 17.142 3.571 20.246
41 HE3 MET 6 2HE MET 6 17.771 2.388 19.074
42 H TRP 7 H TRP 7 19.807 6.410 14.391
43 HA TRP 7 HA TRP 7 22.150 7.079 13.142
44 HD1 TRP 7 HD1 TRP 7 23.155 8.616 11.925
45 HE1 TRP 7 HE1 TRP 7 23.556 10.508 10.131
46 HE3 TRP 7 HE3 TRP 7 18.363 10.314 11.877
47 HZ2 TRP 7 HZ2 TRP 7 21.862 12.460 8.920
48 HZ3 TRP 7 HZ3 TRP 7 17.820 12.217 10.361
49 HH2 TRP 7 HH2 TRP 7 19.478 13.283 8.916
50 HB2 TRP 7 1HB TRP 7 19.807 7.644 12.457
51 HB3 TRP 7 2HB TRP 7 19.818 8.935 13.641
52 H ARG 8 H ARG 8 20.702 8.296 16.208
53 HA ARG 8 HA ARG 8 22.175 10.637 16.247
54 HE ARG 8 HE ARG 8 17.551 11.783 17.092
55 HB2 ARG 8 1HB ARG 8 20.795 9.043 18.458
56 HB3 ARG 8 2HB ARG 8 21.530 10.606 18.757
57 HG2 ARG 8 1HG ARG 8 20.070 11.629 16.999
58 HG3 ARG 8 2HG ARG 8 19.335 10.067 16.700
59 HD2 ARG 8 1HD ARG 8 18.544 9.991 19.082
60 HD3 ARG 8 2HD ARG 8 19.264 11.563 19.366
61 HH11 ARG 8 1HH1 ARG 8 17.334 11.250 20.564
62 HH12 ARG 8 2HH1 ARG 8 15.757 11.953 20.702
63 HH21 ARG 8 1HH2 ARG 8 15.470 12.709 17.274
64 HH22 ARG 8 2HH2 ARG 8 14.689 12.786 18.818
65 H ARG 9 H ARG 9 22.756 7.348 17.567
66 HA ARG 9 HA ARG 9 24.972 8.157 19.104
67 HE ARG 9 HE ARG 9 22.152 5.815 22.247
68 HB2 ARG 9 1HB ARG 9 23.956 5.432 18.168
69 HB3 ARG 9 2HB ARG 9 25.379 5.597 19.179
70 HG2 ARG 9 1HG ARG 9 23.936 6.921 20.832
71 HG3 ARG 9 2HG ARG 9 22.541 6.489 19.863
72 HD2 ARG 9 1HD ARG 9 23.031 4.067 20.211
73 HD3 ARG 9 2HD ARG 9 24.457 4.478 21.143
74 HH11 ARG 9 1HH1 ARG 9 23.535 2.593 21.958
75 HH12 ARG 9 2HH1 ARG 9 22.917 2.051 23.483
76 HH21 ARG 9 1HH2 ARG 9 21.330 5.100 24.257
77 HH22 ARG 9 2HH2 ARG 9 21.623 3.475 24.782
78 H LYS 10 H LYS 10 24.408 7.054 15.774
79 HA LYS 10 HA LYS 10 27.118 6.468 15.185
80 HB2 LYS 10 1HB LYS 10 24.588 6.850 13.626
81 HB3 LYS 10 2HB LYS 10 26.114 6.916 12.769
82 HG2 LYS 10 1HG LYS 10 26.752 4.692 13.668
83 HG3 LYS 10 2HG LYS 10 25.279 4.630 14.616
84 HD2 LYS 10 1HD LYS 10 23.901 4.628 12.575
85 HD3 LYS 10 2HD LYS 10 25.319 4.865 11.571
86 HE2 LYS 10 1HE LYS 10 26.236 2.663 12.387
87 HE3 LYS 10 2HE LYS 10 24.780 2.424 13.332
88 HZ1 LYS 10 3HZ LYS 10 23.509 2.507 11.301
89 HZ2 LYS 10 1HZ LYS 10 24.857 2.753 10.413
90 HZ3 LYS 10 2HZ LYS 10 24.647 1.339 11.204
91 H LEU 11 H LEU 11 25.065 9.399 15.154
92 HA LEU 11 HA LEU 11 26.998 11.002 13.835
93 HG LEU 11 HG LEU 11 24.348 10.741 13.040
94 HB2 LEU 11 1HB LEU 11 24.529 11.582 15.458
95 HB3 LEU 11 2HB LEU 11 25.552 12.859 14.829
96 HD11 LEU 11 1HD1 LEU 11 22.477 11.753 14.156
97 HD12 LEU 11 2HD1 LEU 11 23.132 13.385 13.879
98 HD13 LEU 11 3HD1 LEU 11 22.574 12.404 12.503
99 HD21 LEU 11 3HD2 LEU 11 24.652 12.532 11.317
100 HD22 LEU 11 1HD2 LEU 11 25.535 13.480 12.537
101 HD23 LEU 11 2HD2 LEU 11 26.164 11.902 12.009
102 H LYS 12 H LYS 12 26.291 10.095 17.223
103 HA LYS 12 HA LYS 12 28.057 11.956 18.381
104 HB2 LYS 12 1HB LYS 12 26.228 10.798 19.582
105 HB3 LYS 12 2HB LYS 12 27.088 9.280 19.427
106 HG2 LYS 12 1HG LYS 12 29.008 10.210 20.706
107 HG3 LYS 12 2HG LYS 12 28.204 11.762 20.816
108 HD2 LYS 12 1HD LYS 12 26.327 10.706 22.085
109 HD3 LYS 12 2HD LYS 12 27.117 9.146 21.962
110 HE2 LYS 12 1HE LYS 12 29.090 10.048 23.217
111 HE3 LYS 12 2HE LYS 12 28.299 11.606 23.341
112 HZ1 LYS 12 3HZ LYS 12 26.517 10.538 24.551
113 HZ2 LYS 12 1HZ LYS 12 27.255 9.087 24.436
114 HZ3 LYS 12 2HZ LYS 12 27.947 10.288 25.300
115 H LYS 13 H LYS 13 28.425 8.620 17.091
116 HA LYS 13 HA LYS 13 31.068 8.296 17.999
117 HB2 LYS 13 1HB LYS 13 29.564 6.441 17.380
118 HB3 LYS 13 2HB LYS 13 29.606 6.954 15.706
119 HG2 LYS 13 1HG LYS 13 32.055 6.587 15.617
120 HG3 LYS 13 2HG LYS 13 32.079 6.174 17.319
121 HD2 LYS 13 1HD LYS 13 30.575 4.225 16.869
122 HD3 LYS 13 2HD LYS 13 30.548 4.639 15.166
123 HE2 LYS 13 1HE LYS 13 33.027 4.325 15.045
124 HE3 LYS 13 2HE LYS 13 33.063 3.923 16.751
125 HZ1 LYS 13 3HZ LYS 13 32.984 1.962 15.389
126 HZ2 LYS 13 1HZ LYS 13 31.619 2.059 16.281
127 HZ3 LYS 13 2HZ LYS 13 31.585 2.434 14.692
128 H LEU 14 H LEU 14 29.602 9.612 14.987
129 HA LEU 14 HA LEU 14 31.984 9.916 13.577
130 HG LEU 14 HG LEU 14 31.340 12.553 12.172
131 HB2 LEU 14 1HB LEU 14 29.732 10.025 12.616
132 HB3 LEU 14 2HB LEU 14 29.435 11.533 13.456
133 HD11 LEU 14 1HD1 LEU 14 31.994 11.354 10.056
134 HD12 LEU 14 2HD1 LEU 14 32.640 10.660 11.562
135 HD13 LEU 14 3HD1 LEU 14 31.259 9.887 10.746
136 HD21 LEU 14 3HD2 LEU 14 29.020 12.932 11.531
137 HD22 LEU 14 1HD2 LEU 14 30.065 12.825 10.093
138 HD23 LEU 14 2HD2 LEU 14 29.031 11.449 10.547
139 H ARG 15 H ARG 15 30.187 12.246 15.703
140 HA ARG 15 HA ARG 15 31.912 14.315 15.493
141 HE ARG 15 HE ARG 15 28.307 17.189 16.051
142 HB2 ARG 15 1HB ARG 15 29.976 13.338 17.551
143 HB3 ARG 15 2HB ARG 15 31.170 14.469 18.155
144 HG2 ARG 15 1HG ARG 15 30.558 16.106 16.394
145 HG3 ARG 15 2HG ARG 15 29.422 14.967 15.700
146 HD2 ARG 15 1HD ARG 15 28.116 14.971 17.844
147 HD3 ARG 15 2HD ARG 15 29.247 16.123 18.525
148 HH11 ARG 15 1HH1 ARG 15 27.094 16.437 19.269
149 HH12 ARG 15 2HH1 ARG 15 25.861 17.652 19.226
150 HH21 ARG 15 1HH2 ARG 15 26.680 18.792 15.996
151 HH22 ARG 15 2HH2 ARG 15 25.625 19.002 17.353
152 H ASN 16 H ASN 16 31.968 11.616 17.937
153 HA ASN 16 HA ASN 16 34.077 12.506 19.392
154 HB2 ASN 16 1HB ASN 16 32.591 10.508 19.903
155 HB3 ASN 16 2HB ASN 16 33.458 9.588 18.688
156 HD21 ASN 16 1HD2 ASN 16 33.588 11.106 21.817
157 HD22 ASN 16 2HD2 ASN 16 35.031 10.346 22.404
158 H ALA 17 H ALA 17 33.994 10.418 16.424
159 HA ALA 17 HA ALA 17 36.743 9.777 16.518
160 HB1 ALA 17 3HB ALA 17 35.053 8.362 15.431
161 HB2 ALA 17 1HB ALA 17 34.705 9.655 14.257
162 HB3 ALA 17 2HB ALA 17 36.296 8.857 14.258
163 H LEU 18 H LEU 18 34.808 12.411 15.087
164 HA LEU 18 HA LEU 18 36.810 13.226 13.261
165 HG LEU 18 HG LEU 18 36.019 16.214 13.244
166 HB2 LEU 18 1HB LEU 18 34.432 13.651 12.939
167 HB3 LEU 18 2HB LEU 18 34.397 14.667 14.367
168 HD11 LEU 18 1HD1 LEU 18 37.096 14.808 11.664
169 HD12 LEU 18 2HD1 LEU 18 35.551 14.354 10.906
170 HD13 LEU 18 3HD1 LEU 18 36.172 16.013 10.735
171 HD21 LEU 18 3HD2 LEU 18 33.631 16.700 13.301
172 HD22 LEU 18 1HD2 LEU 18 34.353 17.244 11.768
173 HD23 LEU 18 2HD2 LEU 18 33.386 15.751 11.816
174 H LYS 19 H LYS 19 35.917 14.101 16.628
175 HA LYS 19 HA LYS 19 37.748 16.240 16.810
176 HB2 LYS 19 1HB LYS 19 35.773 15.927 18.279
177 HB3 LYS 19 2HB LYS 19 36.537 14.524 18.998
178 HG2 LYS 19 1HG LYS 19 38.455 15.937 19.745
179 HG3 LYS 19 2HG LYS 19 37.719 17.343 19.002
180 HD2 LYS 19 1HD LYS 19 36.250 15.700 21.105
181 HD3 LYS 19 2HD LYS 19 37.345 16.992 21.554
182 HE2 LYS 19 1HE LYS 19 35.999 18.559 20.058
183 HE3 LYS 19 2HE LYS 19 34.851 17.258 19.811
184 HZ1 LYS 19 3HZ LYS 19 35.570 18.419 22.412
185 HZ2 LYS 19 1HZ LYS 19 34.174 18.672 21.604
186 HZ3 LYS 19 2HZ LYS 19 34.518 17.189 22.196
187 H LYS 20 H LYS 20 37.941 12.700 17.327
188 HA LYS 20 HA LYS 20 40.447 12.694 18.567
189 HB2 LYS 20 1HB LYS 20 38.738 10.821 18.433
190 HB3 LYS 20 2HB LYS 20 39.295 10.523 16.799
191 HG2 LYS 20 1HG LYS 20 41.650 10.259 17.698
192 HG3 LYS 20 2HG LYS 20 41.016 10.439 19.322
193 HD2 LYS 20 1HD LYS 20 39.498 8.455 18.904
194 HD3 LYS 20 2HD LYS 20 40.251 8.247 17.334
195 HE2 LYS 20 1HE LYS 20 41.851 8.268 19.933
196 HE3 LYS 20 2HE LYS 20 41.195 6.798 19.240
197 HZ1 LYS 20 3HZ LYS 20 43.386 7.072 18.463
198 HZ2 LYS 20 1HZ LYS 20 42.411 7.381 17.189
199 HZ3 LYS 20 2HZ LYS 20 43.130 8.613 17.985
200 H LYS 21 H LYS 21 39.411 12.907 15.154
201 HA LYS 21 HA LYS 21 42.020 12.393 14.135
202 HB2 LYS 21 1HB LYS 21 39.427 13.373 12.935
203 HB3 LYS 21 2HB LYS 21 40.904 13.302 11.997
204 HG2 LYS 21 1HG LYS 21 41.130 10.893 12.414
205 HG3 LYS 21 2HG LYS 21 39.788 10.916 13.541
206 HD2 LYS 21 1HD LYS 21 38.242 11.590 11.700
207 HD3 LYS 21 2HD LYS 21 39.580 11.602 10.570
208 HE2 LYS 21 1HE LYS 21 39.974 9.158 11.045
209 HE3 LYS 21 2HE LYS 21 38.591 9.161 12.121
210 HZ1 LYS 21 3HZ LYS 21 37.990 8.422 9.933
211 HZ2 LYS 21 1HZ LYS 21 37.223 9.827 10.257
212 HZ3 LYS 21 2HZ LYS 21 38.513 9.813 9.255
213 H LEU 22 H LEU 22 39.991 15.361 14.652
214 HA LEU 22 HA LEU 22 41.979 16.938 13.323
215 HG LEU 22 HG LEU 22 39.030 16.374 12.649
216 HB2 LEU 22 1HB LEU 22 39.401 17.664 14.721
217 HB3 LEU 22 2HB LEU 22 40.412 18.794 13.841
218 HD11 LEU 22 1HD1 LEU 22 38.372 19.319 12.364
219 HD12 LEU 22 2HD1 LEU 22 37.544 17.964 11.561
220 HD13 LEU 22 3HD1 LEU 22 37.459 18.136 13.331
221 HD21 LEU 22 3HD2 LEU 22 40.968 16.703 11.363
222 HD22 LEU 22 1HD2 LEU 22 39.673 17.537 10.470
223 HD23 LEU 22 2HD2 LEU 22 40.830 18.476 11.444
224 H LYS 23 H LYS 23 40.648 16.697 16.692
225 HA LYS 23 HA LYS 23 42.546 18.676 17.566
226 HB2 LYS 23 1HB LYS 23 40.130 18.493 18.332
227 HB3 LYS 23 2HB LYS 23 40.601 17.071 19.241
228 HG2 LYS 23 1HG LYS 23 42.397 18.476 20.379
229 HG3 LYS 23 2HG LYS 23 41.750 19.884 19.560
230 HD2 LYS 23 1HD LYS 23 39.469 19.296 20.610
231 HD3 LYS 23 2HD LYS 23 40.317 18.115 21.589
232 HE2 LYS 23 1HE LYS 23 40.920 21.111 21.518
233 HE3 LYS 23 2HE LYS 23 40.048 20.282 22.792
234 HZ1 LYS 23 3HZ LYS 23 42.862 19.944 22.053
235 HZ2 LYS 23 1HZ LYS 23 42.250 20.436 23.486
236 HZ3 LYS 23 2HZ LYS 23 42.088 18.878 23.019
237 H GLY 24 H GLY 24 41.943 15.139 17.980
238 HA2 GLY 24 1HA GLY 24 44.190 13.942 18.060
239 HA3 GLY 24 2HA GLY 24 44.491 14.956 19.457
240 H GLU 25 H GLU 25 42.069 15.029 20.810
241 HA GLU 25 HA GLU 25 40.956 12.431 20.970
242 HB2 GLU 25 1HB GLU 25 43.092 12.065 22.202
243 HB3 GLU 25 2HB GLU 25 42.699 13.386 23.285
244 HG2 GLU 25 1HG GLU 25 40.688 12.190 24.082
245 HG3 GLU 25 2HG GLU 25 40.953 10.905 22.920
246 H LYS 26 H LYS 26 41.600 15.417 22.963
247 HA LYS 26 HA LYS 26 38.843 16.045 23.145
248 HB2 LYS 26 1HB LYS 26 38.470 15.514 25.486
249 HB3 LYS 26 2HB LYS 26 38.812 14.057 24.575
250 HG2 LYS 26 1HG LYS 26 41.259 14.286 25.310
251 HG3 LYS 26 2HG LYS 26 40.751 15.585 26.370
252 HD2 LYS 26 1HD LYS 26 39.134 14.012 27.489
253 HD3 LYS 26 2HD LYS 26 39.699 12.716 26.454
254 HE2 LYS 26 1HE LYS 26 42.035 13.057 27.360
255 HE3 LYS 26 2HE LYS 26 41.409 14.279 28.447
256 HZ1 LYS 26 3HZ LYS 26 39.956 12.603 29.387
257 HZ2 LYS 26 1HZ LYS 26 40.562 11.466 28.384
258 HZ3 LYS 26 2HZ LYS 26 41.519 12.152 29.515
Start of MODEL 7
1 HA SER 1 HA SER 1 12.781 0.974 8.296
2 HG SER 1 HG SER 1 10.375 1.763 8.852
3 H1 SER 1 1H SER 1 13.341 -0.028 10.971
4 HB2 SER 1 1HB SER 1 12.274 2.457 10.914
5 HB3 SER 1 2HB SER 1 12.112 3.160 9.317
6 H MET 2 H MET 2 14.298 2.584 7.525
7 HA MET 2 HA MET 2 16.858 2.261 8.699
8 HB2 MET 2 1HB MET 2 15.780 3.938 6.368
9 HB3 MET 2 2HB MET 2 17.484 3.872 6.772
10 HG2 MET 2 1HG MET 2 17.409 1.353 6.494
11 HG3 MET 2 2HG MET 2 15.738 1.489 5.985
12 HE1 MET 2 3HE MET 2 18.017 0.140 4.246
13 HE2 MET 2 1HE MET 2 16.319 0.273 3.729
14 HE3 MET 2 2HE MET 2 17.625 0.783 2.633
15 H TRP 3 H TRP 3 18.326 4.156 9.202
16 HA TRP 3 HA TRP 3 18.799 5.944 10.418
17 HD1 TRP 3 HD1 TRP 3 15.582 7.586 7.139
18 HE1 TRP 3 HE1 TRP 3 16.521 7.026 4.737
19 HE3 TRP 3 HE3 TRP 3 20.157 6.026 8.716
20 HZ2 TRP 3 HZ2 TRP 3 19.014 6.015 3.788
21 HZ3 TRP 3 HZ3 TRP 3 21.786 5.268 6.987
22 HH2 TRP 3 HH2 TRP 3 21.277 5.247 4.596
23 HB2 TRP 3 1HB TRP 3 16.336 7.407 9.629
24 HB3 TRP 3 2HB TRP 3 18.001 7.952 9.709
25 H SER 4 H SER 4 18.088 4.162 12.114
26 HA SER 4 HA SER 4 16.546 5.602 14.015
27 HG SER 4 HG SER 4 15.669 2.600 11.959
28 HB2 SER 4 1HB SER 4 14.900 3.809 14.455
29 HB3 SER 4 2HB SER 4 14.725 4.443 12.830
30 H GLY 5 H GLY 5 16.777 4.640 16.214
31 HA2 GLY 5 1HA GLY 5 17.919 3.566 17.828
32 HA3 GLY 5 2HA GLY 5 18.286 2.297 16.676
33 H MET 6 H MET 6 20.320 2.197 15.687
34 HA MET 6 HA MET 6 22.313 3.901 16.764
35 HB2 MET 6 1HB MET 6 22.541 1.415 16.101
36 HB3 MET 6 2HB MET 6 22.504 1.925 14.425
37 HG2 MET 6 1HG MET 6 24.829 1.769 14.945
38 HG3 MET 6 2HG MET 6 24.488 3.487 14.996
39 HE1 MET 6 3HE MET 6 27.026 2.352 16.311
40 HE2 MET 6 1HE MET 6 26.560 4.062 16.472
41 HE3 MET 6 2HE MET 6 27.030 3.129 17.912
42 H TRP 7 H TRP 7 21.468 6.011 16.009
43 HA TRP 7 HA TRP 7 22.468 6.567 13.325
44 HD1 TRP 7 HD1 TRP 7 22.450 8.373 11.845
45 HE1 TRP 7 HE1 TRP 7 21.655 10.348 10.285
46 HE3 TRP 7 HE3 TRP 7 17.565 8.215 13.247
47 HZ2 TRP 7 HZ2 TRP 7 19.129 11.594 9.823
48 HZ3 TRP 7 HZ3 TRP 7 16.000 9.844 12.195
49 HH2 TRP 7 HH2 TRP 7 16.713 11.494 10.537
50 HB2 TRP 7 1HB TRP 7 20.091 6.187 13.013
51 HB3 TRP 7 2HB TRP 7 19.706 7.318 14.296
52 H ARG 8 H ARG 8 20.780 8.062 16.193
53 HA ARG 8 HA ARG 8 22.285 10.381 16.120
54 HE ARG 8 HE ARG 8 17.725 11.792 16.728
55 HB2 ARG 8 1HB ARG 8 20.779 8.964 18.366
56 HB3 ARG 8 2HB ARG 8 21.554 10.517 18.615
57 HG2 ARG 8 1HG ARG 8 20.208 11.483 16.732
58 HG3 ARG 8 2HG ARG 8 19.423 9.932 16.503
59 HD2 ARG 8 1HD ARG 8 18.522 10.036 18.834
60 HD3 ARG 8 2HD ARG 8 19.324 11.575 19.081
61 HH11 ARG 8 1HH1 ARG 8 17.331 11.433 20.205
62 HH12 ARG 8 2HH1 ARG 8 15.790 12.222 20.242
63 HH21 ARG 8 1HH2 ARG 8 15.691 12.834 16.774
64 HH22 ARG 8 2HH2 ARG 8 14.852 13.026 18.277
65 H ARG 9 H ARG 9 22.772 7.185 17.684
66 HA ARG 9 HA ARG 9 24.983 7.994 19.197
67 HE ARG 9 HE ARG 9 22.062 5.567 22.202
68 HB2 ARG 9 1HB ARG 9 24.030 5.264 18.212
69 HB3 ARG 9 2HB ARG 9 25.424 5.445 19.259
70 HG2 ARG 9 1HG ARG 9 23.996 6.608 20.956
71 HG3 ARG 9 2HG ARG 9 22.603 6.423 19.910
72 HD2 ARG 9 1HD ARG 9 22.875 3.926 20.006
73 HD3 ARG 9 2HD ARG 9 24.248 4.124 21.077
74 HH11 ARG 9 1HH1 ARG 9 23.012 2.243 21.545
75 HH12 ARG 9 2HH1 ARG 9 22.067 1.583 22.837
76 HH21 ARG 9 1HH2 ARG 9 20.815 4.695 23.908
77 HH22 ARG 9 2HH2 ARG 9 20.813 2.987 24.194
78 H LYS 10 H LYS 10 24.472 6.910 15.850
79 HA LYS 10 HA LYS 10 27.205 6.302 15.342
80 HB2 LYS 10 1HB LYS 10 24.813 5.769 14.101
81 HB3 LYS 10 2HB LYS 10 25.482 7.005 13.055
82 HG2 LYS 10 1HG LYS 10 27.627 5.707 12.909
83 HG3 LYS 10 2HG LYS 10 26.934 4.462 13.930
84 HD2 LYS 10 1HD LYS 10 25.132 4.074 12.240
85 HD3 LYS 10 2HD LYS 10 25.811 5.328 11.222
86 HE2 LYS 10 1HE LYS 10 27.939 4.039 11.030
87 HE3 LYS 10 2HE LYS 10 27.291 2.795 12.078
88 HZ1 LYS 10 3HZ LYS 10 27.024 2.227 9.775
89 HZ2 LYS 10 1HZ LYS 10 25.555 2.417 10.461
90 HZ3 LYS 10 2HZ LYS 10 26.156 3.578 9.484
91 H LEU 11 H LEU 11 25.098 9.186 15.105
92 HA LEU 11 HA LEU 11 27.041 10.726 13.711
93 HG LEU 11 HG LEU 11 24.407 10.270 12.887
94 HB2 LEU 11 1HB LEU 11 24.508 11.405 15.198
95 HB3 LEU 11 2HB LEU 11 25.514 12.617 14.430
96 HD11 LEU 11 1HD1 LEU 11 23.069 12.938 13.402
97 HD12 LEU 11 2HD1 LEU 11 22.572 11.774 12.150
98 HD13 LEU 11 3HD1 LEU 11 22.482 11.324 13.871
99 HD21 LEU 11 3HD2 LEU 11 24.679 11.834 10.971
100 HD22 LEU 11 1HD2 LEU 11 25.453 12.994 12.078
101 HD23 LEU 11 2HD2 LEU 11 26.208 11.410 11.779
102 H LYS 12 H LYS 12 26.262 10.013 17.116
103 HA LYS 12 HA LYS 12 27.933 12.006 18.206
104 HB2 LYS 12 1HB LYS 12 26.113 10.873 19.438
105 HB3 LYS 12 2HB LYS 12 27.009 9.368 19.382
106 HG2 LYS 12 1HG LYS 12 28.880 10.404 20.648
107 HG3 LYS 12 2HG LYS 12 28.048 11.946 20.653
108 HD2 LYS 12 1HD LYS 12 26.160 10.928 21.939
109 HD3 LYS 12 2HD LYS 12 26.981 9.380 21.924
110 HE2 LYS 12 1HE LYS 12 28.908 10.388 23.167
111 HE3 LYS 12 2HE LYS 12 28.089 11.938 23.181
112 HZ1 LYS 12 3HZ LYS 12 26.298 10.912 24.412
113 HZ2 LYS 12 1HZ LYS 12 27.062 9.470 24.401
114 HZ3 LYS 12 2HZ LYS 12 27.713 10.731 25.206
115 H LYS 13 H LYS 13 28.426 8.604 17.142
116 HA LYS 13 HA LYS 13 31.066 8.424 18.092
117 HB2 LYS 13 1HB LYS 13 29.637 6.486 17.562
118 HB3 LYS 13 2HB LYS 13 29.678 6.908 15.862
119 HG2 LYS 13 1HG LYS 13 32.143 6.630 15.820
120 HG3 LYS 13 2HG LYS 13 32.157 6.298 17.540
121 HD2 LYS 13 1HD LYS 13 30.730 4.278 17.163
122 HD3 LYS 13 2HD LYS 13 30.706 4.612 15.443
123 HE2 LYS 13 1HE LYS 13 33.198 4.384 15.363
124 HE3 LYS 13 2HE LYS 13 33.224 4.054 17.085
125 HZ1 LYS 13 3HZ LYS 13 31.851 2.124 16.674
126 HZ2 LYS 13 1HZ LYS 13 31.826 2.432 15.071
127 HZ3 LYS 13 2HZ LYS 13 33.231 2.038 15.805
128 H LEU 14 H LEU 14 29.596 9.535 15.002
129 HA LEU 14 HA LEU 14 31.993 9.822 13.604
130 HG LEU 14 HG LEU 14 31.344 12.263 11.973
131 HB2 LEU 14 1HB LEU 14 29.727 9.789 12.631
132 HB3 LEU 14 2HB LEU 14 29.411 11.366 13.329
133 HD11 LEU 14 1HD1 LEU 14 31.966 10.891 9.956
134 HD12 LEU 14 2HD1 LEU 14 32.608 10.305 11.509
135 HD13 LEU 14 3HD1 LEU 14 31.211 9.495 10.762
136 HD21 LEU 14 3HD2 LEU 14 29.004 11.071 10.458
137 HD22 LEU 14 1HD2 LEU 14 29.027 12.632 11.315
138 HD23 LEU 14 2HD2 LEU 14 30.058 12.386 9.886
139 H ARG 15 H ARG 15 30.090 12.187 15.590
140 HA ARG 15 HA ARG 15 31.731 14.316 15.255
141 HE ARG 15 HE ARG 15 28.026 17.092 15.607
142 HB2 ARG 15 1HB ARG 15 29.810 13.392 17.350
143 HB3 ARG 15 2HB ARG 15 30.952 14.605 17.894
144 HG2 ARG 15 1HG ARG 15 30.300 16.097 16.015
145 HG3 ARG 15 2HG ARG 15 29.201 14.875 15.405
146 HD2 ARG 15 1HD ARG 15 27.886 14.993 17.533
147 HD3 ARG 15 2HD ARG 15 28.989 16.206 18.150
148 HH11 ARG 15 1HH1 ARG 15 26.841 16.534 18.873
149 HH12 ARG 15 2HH1 ARG 15 25.609 17.745 18.770
150 HH21 ARG 15 1HH2 ARG 15 26.400 18.691 15.471
151 HH22 ARG 15 2HH2 ARG 15 25.352 18.978 16.820
152 H ASN 16 H ASN 16 31.865 11.774 17.858
153 HA ASN 16 HA ASN 16 33.923 12.854 19.269
154 HB2 ASN 16 1HB ASN 16 32.517 10.879 19.968
155 HB3 ASN 16 2HB ASN 16 33.347 9.882 18.790
156 HD21 ASN 16 1HD2 ASN 16 33.735 11.837 21.691
157 HD22 ASN 16 2HD2 ASN 16 35.151 11.057 22.314
158 H ALA 17 H ALA 17 33.930 10.560 16.462
159 HA ALA 17 HA ALA 17 36.680 9.987 16.585
160 HB1 ALA 17 3HB ALA 17 35.029 8.524 15.506
161 HB2 ALA 17 1HB ALA 17 34.669 9.788 14.306
162 HB3 ALA 17 2HB ALA 17 36.274 9.018 14.333
163 H LEU 18 H LEU 18 34.712 12.480 14.910
164 HA LEU 18 HA LEU 18 36.771 13.356 13.209
165 HG LEU 18 HG LEU 18 35.838 16.393 13.308
166 HB2 LEU 18 1HB LEU 18 34.436 13.763 12.756
167 HB3 LEU 18 2HB LEU 18 34.267 14.702 14.225
168 HD11 LEU 18 1HD1 LEU 18 35.771 14.610 10.866
169 HD12 LEU 18 2HD1 LEU 18 36.299 16.310 10.835
170 HD13 LEU 18 3HD1 LEU 18 37.186 15.120 11.818
171 HD21 LEU 18 3HD2 LEU 18 33.426 16.700 13.103
172 HD22 LEU 18 1HD2 LEU 18 34.278 17.365 11.689
173 HD23 LEU 18 2HD2 LEU 18 33.429 15.805 11.564
174 H LYS 19 H LYS 19 35.684 14.338 16.504
175 HA LYS 19 HA LYS 19 37.430 16.535 16.677
176 HB2 LYS 19 1HB LYS 19 35.393 16.233 18.048
177 HB3 LYS 19 2HB LYS 19 36.148 14.888 18.878
178 HG2 LYS 19 1HG LYS 19 37.940 16.357 19.730
179 HG3 LYS 19 2HG LYS 19 37.321 17.707 18.800
180 HD2 LYS 19 1HD LYS 19 35.215 17.687 20.100
181 HD3 LYS 19 2HD LYS 19 35.733 16.258 20.971
182 HE2 LYS 19 1HE LYS 19 36.220 18.090 22.436
183 HE3 LYS 19 2HE LYS 19 37.770 17.619 21.767
184 HZ1 LYS 19 3HZ LYS 19 37.334 20.016 21.705
185 HZ2 LYS 19 1HZ LYS 19 37.645 19.396 20.227
186 HZ3 LYS 19 2HZ LYS 19 36.113 19.769 20.649
187 H LYS 20 H LYS 20 37.741 13.038 17.381
188 HA LYS 20 HA LYS 20 40.184 13.237 18.753
189 HB2 LYS 20 1HB LYS 20 38.549 11.296 18.720
190 HB3 LYS 20 2HB LYS 20 39.180 10.879 17.140
191 HG2 LYS 20 1HG LYS 20 41.503 10.777 18.142
192 HG3 LYS 20 2HG LYS 20 40.804 11.082 19.720
193 HD2 LYS 20 1HD LYS 20 39.398 9.015 19.486
194 HD3 LYS 20 2HD LYS 20 40.125 8.706 17.922
195 HE2 LYS 20 1HE LYS 20 42.382 8.560 19.000
196 HE3 LYS 20 2HE LYS 20 41.655 8.870 20.564
197 HZ1 LYS 20 3HZ LYS 20 40.347 6.871 20.284
198 HZ2 LYS 20 1HZ LYS 20 41.030 6.582 18.829
199 HZ3 LYS 20 2HZ LYS 20 41.942 6.532 20.182
200 H LYS 21 H LYS 21 39.285 13.055 15.291
201 HA LYS 21 HA LYS 21 41.950 12.536 14.440
202 HB2 LYS 21 1HB LYS 21 39.387 13.292 13.029
203 HB3 LYS 21 2HB LYS 21 40.907 13.144 12.170
204 HG2 LYS 21 1HG LYS 21 40.030 10.904 14.009
205 HG3 LYS 21 2HG LYS 21 39.295 11.043 12.425
206 HD2 LYS 21 1HD LYS 21 41.555 10.989 11.363
207 HD3 LYS 21 2HD LYS 21 42.302 10.874 12.945
208 HE2 LYS 21 1HE LYS 21 41.116 8.715 13.359
209 HE3 LYS 21 2HE LYS 21 40.336 8.834 11.794
210 HZ1 LYS 21 3HZ LYS 21 42.517 8.798 10.778
211 HZ2 LYS 21 1HZ LYS 21 43.237 8.674 12.238
212 HZ3 LYS 21 2HZ LYS 21 42.286 7.465 11.690
213 H LEU 22 H LEU 22 39.921 15.424 14.999
214 HA LEU 22 HA LEU 22 41.728 17.213 13.741
215 HG LEU 22 HG LEU 22 38.969 16.985 13.224
216 HB2 LEU 22 1HB LEU 22 39.441 17.562 15.673
217 HB3 LEU 22 2HB LEU 22 40.388 18.909 15.074
218 HD11 LEU 22 1HD1 LEU 22 37.892 19.567 14.390
219 HD12 LEU 22 2HD1 LEU 22 37.145 18.630 13.073
220 HD13 LEU 22 3HD1 LEU 22 37.284 17.922 14.700
221 HD21 LEU 22 3HD2 LEU 22 40.663 18.227 12.099
222 HD22 LEU 22 1HD2 LEU 22 39.095 18.955 11.672
223 HD23 LEU 22 2HD2 LEU 22 40.148 19.749 12.867
224 H LYS 23 H LYS 23 41.370 15.804 17.003
225 HA LYS 23 HA LYS 23 43.317 17.472 18.202
226 HB2 LYS 23 1HB LYS 23 41.544 16.161 19.399
227 HB3 LYS 23 2HB LYS 23 42.422 14.694 19.023
228 HG2 LYS 23 1HG LYS 23 44.461 15.693 20.172
229 HG3 LYS 23 2HG LYS 23 43.470 17.056 20.651
230 HD2 LYS 23 1HD LYS 23 41.897 15.445 21.814
231 HD3 LYS 23 2HD LYS 23 42.989 14.136 21.410
232 HE2 LYS 23 1HE LYS 23 44.840 15.447 22.623
233 HE3 LYS 23 2HE LYS 23 43.594 16.544 23.185
234 HZ1 LYS 23 3HZ LYS 23 43.952 14.846 24.787
235 HZ2 LYS 23 1HZ LYS 23 42.467 14.615 24.146
236 HZ3 LYS 23 2HZ LYS 23 43.709 13.654 23.698
237 H GLY 24 H GLY 24 43.376 14.390 16.373
238 HA2 GLY 24 1HA GLY 24 45.225 13.813 15.051
239 HA3 GLY 24 2HA GLY 24 46.285 14.715 16.117
240 H GLU 25 H GLU 25 43.748 12.626 17.479
241 HA GLU 25 HA GLU 25 43.797 10.737 18.555
242 HB2 GLU 25 1HB GLU 25 45.876 10.003 16.447
243 HB3 GLU 25 2HB GLU 25 45.077 8.841 17.488
244 HG2 GLU 25 1HG GLU 25 42.857 9.548 16.587
245 HG3 GLU 25 2HG GLU 25 43.644 10.727 15.558
246 H LYS 26 H LYS 26 44.759 11.975 20.418
247 HA LYS 26 HA LYS 26 47.144 10.782 21.378
248 HB2 LYS 26 1HB LYS 26 48.557 12.786 21.417
249 HB3 LYS 26 2HB LYS 26 48.218 12.260 19.780
250 HG2 LYS 26 1HG LYS 26 46.271 13.957 19.774
251 HG3 LYS 26 2HG LYS 26 46.926 14.583 21.274
252 HD2 LYS 26 1HD LYS 26 48.547 14.346 18.697
253 HD3 LYS 26 2HD LYS 26 47.705 15.805 19.178
254 HE2 LYS 26 1HE LYS 26 49.026 15.747 21.368
255 HE3 LYS 26 2HE LYS 26 49.960 14.422 20.703
256 HZ1 LYS 26 3HZ LYS 26 49.728 17.103 19.522
257 HZ2 LYS 26 1HZ LYS 26 51.033 16.509 20.304
258 HZ3 LYS 26 2HZ LYS 26 50.576 15.866 18.874
Start of MODEL 8
1 HA SER 1 HA SER 1 19.502 5.286 5.220
2 HG SER 1 HG SER 1 16.518 4.283 3.473
3 H1 SER 1 1H SER 1 20.174 2.488 5.048
4 HB2 SER 1 1HB SER 1 17.401 3.076 5.282
5 HB3 SER 1 2HB SER 1 17.095 4.755 5.679
6 H MET 2 H MET 2 18.731 5.876 7.443
7 HA MET 2 HA MET 2 19.278 3.770 9.378
8 HB2 MET 2 1HB MET 2 20.177 6.703 9.525
9 HB3 MET 2 2HB MET 2 20.419 5.524 10.799
10 HG2 MET 2 1HG MET 2 21.740 4.106 9.137
11 HG3 MET 2 2HG MET 2 21.611 5.421 7.987
12 HE1 MET 2 3HE MET 2 24.389 4.307 8.826
13 HE2 MET 2 1HE MET 2 24.166 5.704 7.744
14 HE3 MET 2 2HE MET 2 25.299 5.810 9.113
15 H TRP 3 H TRP 3 18.347 4.305 11.608
16 HA TRP 3 HA TRP 3 16.009 6.070 11.339
17 HD1 TRP 3 HD1 TRP 3 15.742 3.213 14.931
18 HE1 TRP 3 HE1 TRP 3 17.110 1.000 15.371
19 HE3 TRP 3 HE3 TRP 3 17.102 2.467 10.088
20 HZ2 TRP 3 HZ2 TRP 3 18.576 -0.774 13.683
21 HZ3 TRP 3 HZ3 TRP 3 18.502 0.472 9.569
22 HH2 TRP 3 HH2 TRP 3 19.236 -1.120 11.273
23 HB2 TRP 3 1HB TRP 3 14.788 4.509 12.803
24 HB3 TRP 3 2HB TRP 3 15.186 3.840 11.234
25 H SER 4 H SER 4 15.248 6.822 13.592
26 HA SER 4 HA SER 4 17.406 8.152 14.685
27 HG SER 4 HG SER 4 16.401 9.933 16.304
28 HB2 SER 4 1HB SER 4 15.061 8.978 14.726
29 HB3 SER 4 2HB SER 4 14.621 7.704 15.846
30 H GLY 5 H GLY 5 18.055 8.111 17.086
31 HA2 GLY 5 1HA GLY 5 18.727 6.922 18.931
32 HA3 GLY 5 2HA GLY 5 17.937 5.483 18.319
33 H MET 6 H MET 6 18.961 4.460 16.277
34 HA MET 6 HA MET 6 21.644 3.974 16.714
35 HB2 MET 6 1HB MET 6 19.975 2.532 15.434
36 HB3 MET 6 2HB MET 6 20.032 3.686 14.118
37 HG2 MET 6 1HG MET 6 22.522 3.288 13.920
38 HG3 MET 6 2HG MET 6 22.403 2.073 15.178
39 HE1 MET 6 3HE MET 6 20.374 3.098 11.886
40 HE2 MET 6 1HE MET 6 22.117 2.946 11.561
41 HE3 MET 6 2HE MET 6 20.974 1.783 10.847
42 H TRP 7 H TRP 7 19.964 6.223 14.448
43 HA TRP 7 HA TRP 7 22.247 6.930 12.987
44 HD1 TRP 7 HD1 TRP 7 23.094 8.585 11.746
45 HE1 TRP 7 HE1 TRP 7 23.287 10.519 9.961
46 HE3 TRP 7 HE3 TRP 7 18.154 9.786 11.741
47 HZ2 TRP 7 HZ2 TRP 7 21.394 12.294 8.773
48 HZ3 TRP 7 HZ3 TRP 7 17.408 11.632 10.239
49 HH2 TRP 7 HH2 TRP 7 18.939 12.869 8.790
50 HB2 TRP 7 1HB TRP 7 19.883 7.265 12.293
51 HB3 TRP 7 2HB TRP 7 19.742 8.551 13.476
52 H ARG 8 H ARG 8 20.705 8.168 16.001
53 HA ARG 8 HA ARG 8 22.225 10.495 16.085
54 HE ARG 8 HE ARG 8 20.198 12.395 19.022
55 HB2 ARG 8 1HB ARG 8 20.685 8.940 18.212
56 HB3 ARG 8 2HB ARG 8 21.487 10.454 18.580
57 HG2 ARG 8 1HG ARG 8 20.166 11.587 16.776
58 HG3 ARG 8 2HG ARG 8 19.359 10.073 16.419
59 HD2 ARG 8 1HD ARG 8 17.872 11.299 17.870
60 HD3 ARG 8 2HD ARG 8 18.561 10.021 18.851
61 HH11 ARG 8 1HH1 ARG 8 17.072 11.172 20.075
62 HH12 ARG 8 2HH1 ARG 8 17.091 12.044 21.571
63 HH21 ARG 8 1HH2 ARG 8 20.224 13.549 20.997
64 HH22 ARG 8 2HH2 ARG 8 18.877 13.437 22.080
65 H ARG 9 H ARG 9 22.630 7.192 17.451
66 HA ARG 9 HA ARG 9 24.809 7.830 19.059
67 HE ARG 9 HE ARG 9 22.234 5.150 22.042
68 HB2 ARG 9 1HB ARG 9 23.750 5.252 17.839
69 HB3 ARG 9 2HB ARG 9 25.246 5.241 18.753
70 HG2 ARG 9 1HG ARG 9 24.109 6.138 20.740
71 HG3 ARG 9 2HG ARG 9 22.623 6.367 19.838
72 HD2 ARG 9 1HD ARG 9 22.453 3.902 19.471
73 HD3 ARG 9 2HD ARG 9 23.956 3.660 20.338
74 HH11 ARG 9 1HH1 ARG 9 22.449 1.937 20.623
75 HH12 ARG 9 2HH1 ARG 9 21.517 1.184 21.873
76 HH21 ARG 9 1HH2 ARG 9 21.010 4.155 23.695
77 HH22 ARG 9 2HH2 ARG 9 20.709 2.450 23.643
78 H LYS 10 H LYS 10 24.417 6.947 15.618
79 HA LYS 10 HA LYS 10 27.173 6.390 15.189
80 HB2 LYS 10 1HB LYS 10 24.720 6.671 13.492
81 HB3 LYS 10 2HB LYS 10 26.287 6.762 12.714
82 HG2 LYS 10 1HG LYS 10 26.932 4.575 13.700
83 HG3 LYS 10 2HG LYS 10 25.409 4.491 14.561
84 HD2 LYS 10 1HD LYS 10 24.191 4.544 12.353
85 HD3 LYS 10 2HD LYS 10 25.734 4.547 11.523
86 HE2 LYS 10 1HE LYS 10 24.946 2.367 13.508
87 HE3 LYS 10 2HE LYS 10 24.593 2.252 11.795
88 HZ1 LYS 10 3HZ LYS 10 27.249 2.480 13.025
89 HZ2 LYS 10 1HZ LYS 10 26.646 1.204 12.203
90 HZ3 LYS 10 2HZ LYS 10 26.995 2.592 11.416
91 H LEU 11 H LEU 11 25.048 9.263 14.997
92 HA LEU 11 HA LEU 11 26.976 10.901 13.733
93 HG LEU 11 HG LEU 11 24.424 10.628 12.822
94 HB2 LEU 11 1HB LEU 11 24.449 11.410 15.283
95 HB3 LEU 11 2HB LEU 11 25.462 12.727 14.726
96 HD11 LEU 11 1HD1 LEU 11 22.584 12.228 12.279
97 HD12 LEU 11 2HD1 LEU 11 22.447 11.463 13.881
98 HD13 LEU 11 3HD1 LEU 11 23.016 13.144 13.743
99 HD21 LEU 11 3HD2 LEU 11 26.227 11.966 11.954
100 HD22 LEU 11 1HD2 LEU 11 24.706 12.463 11.172
101 HD23 LEU 11 2HD2 LEU 11 25.415 13.467 12.459
102 H LYS 12 H LYS 12 26.192 10.043 17.125
103 HA LYS 12 HA LYS 12 27.879 11.957 18.299
104 HB2 LYS 12 1HB LYS 12 26.062 10.782 19.481
105 HB3 LYS 12 2HB LYS 12 26.937 9.270 19.345
106 HG2 LYS 12 1HG LYS 12 28.825 10.216 20.658
107 HG3 LYS 12 2HG LYS 12 28.007 11.762 20.750
108 HD2 LYS 12 1HD LYS 12 26.115 10.697 21.986
109 HD3 LYS 12 2HD LYS 12 26.914 9.140 21.879
110 HE2 LYS 12 1HE LYS 12 28.861 10.054 23.167
111 HE3 LYS 12 2HE LYS 12 28.056 11.606 23.280
112 HZ1 LYS 12 3HZ LYS 12 27.016 9.076 24.354
113 HZ2 LYS 12 1HZ LYS 12 27.678 10.284 25.230
114 HZ3 LYS 12 2HZ LYS 12 26.260 10.520 24.454
115 H LYS 13 H LYS 13 28.383 8.588 17.127
116 HA LYS 13 HA LYS 13 31.011 8.383 18.106
117 HB2 LYS 13 1HB LYS 13 29.577 6.461 17.515
118 HB3 LYS 13 2HB LYS 13 29.654 6.915 15.825
119 HG2 LYS 13 1HG LYS 13 32.110 6.613 15.814
120 HG3 LYS 13 2HG LYS 13 32.105 6.278 17.534
121 HD2 LYS 13 1HD LYS 13 30.670 4.265 17.138
122 HD3 LYS 13 2HD LYS 13 30.678 4.599 15.417
123 HE2 LYS 13 1HE LYS 13 33.166 4.353 15.375
124 HE3 LYS 13 2HE LYS 13 33.170 4.040 17.099
125 HZ1 LYS 13 3HZ LYS 13 33.186 2.012 15.839
126 HZ2 LYS 13 1HZ LYS 13 31.796 2.110 16.691
127 HZ3 LYS 13 2HZ LYS 13 31.792 2.402 15.084
128 H LEU 14 H LEU 14 29.575 9.605 15.050
129 HA LEU 14 HA LEU 14 31.975 9.867 13.653
130 HG LEU 14 HG LEU 14 31.391 12.359 12.082
131 HB2 LEU 14 1HB LEU 14 29.702 9.920 12.690
132 HB3 LEU 14 2HB LEU 14 29.435 11.489 13.425
133 HD11 LEU 14 1HD1 LEU 14 32.591 10.373 11.566
134 HD12 LEU 14 2HD1 LEU 14 31.165 9.627 10.805
135 HD13 LEU 14 3HD1 LEU 14 31.961 11.017 10.030
136 HD21 LEU 14 3HD2 LEU 14 29.087 12.817 11.446
137 HD22 LEU 14 1HD2 LEU 14 30.101 12.571 10.004
138 HD23 LEU 14 2HD2 LEU 14 29.008 11.279 10.553
139 H ARG 15 H ARG 15 30.139 12.228 15.707
140 HA ARG 15 HA ARG 15 31.857 14.311 15.447
141 HE ARG 15 HE ARG 15 30.016 18.179 17.208
142 HB2 ARG 15 1HB ARG 15 29.597 13.749 16.962
143 HB3 ARG 15 2HB ARG 15 30.817 13.893 18.212
144 HG2 ARG 15 1HG ARG 15 31.499 16.121 17.265
145 HG3 ARG 15 2HG ARG 15 30.242 15.978 16.053
146 HD2 ARG 15 1HD ARG 15 28.513 15.853 17.871
147 HD3 ARG 15 2HD ARG 15 29.776 16.021 19.075
148 HH11 ARG 15 1HH1 ARG 15 27.833 17.036 19.720
149 HH12 ARG 15 2HH1 ARG 15 27.293 18.624 20.153
150 HH21 ARG 15 1HH2 ARG 15 29.307 20.275 17.780
151 HH22 ARG 15 2HH2 ARG 15 28.129 20.478 19.034
152 H ASN 16 H ASN 16 31.882 11.666 17.948
153 HA ASN 16 HA ASN 16 33.925 12.654 19.445
154 HB2 ASN 16 1HB ASN 16 32.451 10.680 20.024
155 HB3 ASN 16 2HB ASN 16 33.321 9.707 18.855
156 HD21 ASN 16 1HD2 ASN 16 35.231 8.819 19.350
157 HD22 ASN 16 2HD2 ASN 16 36.014 8.935 20.891
158 H ALA 17 H ALA 17 33.954 10.452 16.566
159 HA ALA 17 HA ALA 17 36.706 9.877 16.686
160 HB1 ALA 17 3HB ALA 17 36.318 8.996 14.398
161 HB2 ALA 17 1HB ALA 17 35.062 8.458 15.537
162 HB3 ALA 17 2HB ALA 17 34.715 9.769 14.383
163 H LEU 18 H LEU 18 34.740 12.424 15.085
164 HA LEU 18 HA LEU 18 36.789 13.299 13.375
165 HG LEU 18 HG LEU 18 35.866 16.338 13.507
166 HB2 LEU 18 1HB LEU 18 34.463 13.715 12.923
167 HB3 LEU 18 2HB LEU 18 34.285 14.634 14.404
168 HD11 LEU 18 1HD1 LEU 18 36.304 16.299 11.035
169 HD12 LEU 18 2HD1 LEU 18 37.183 15.070 11.976
170 HD13 LEU 18 3HD1 LEU 18 35.750 14.608 11.028
171 HD21 LEU 18 3HD2 LEU 18 33.429 15.787 11.791
172 HD22 LEU 18 1HD2 LEU 18 33.455 16.661 13.341
173 HD23 LEU 18 2HD2 LEU 18 34.288 17.340 11.922
174 H LYS 19 H LYS 19 35.841 14.107 16.734
175 HA LYS 19 HA LYS 19 37.428 16.423 16.907
176 HB2 LYS 19 1HB LYS 19 36.183 14.581 18.954
177 HB3 LYS 19 2HB LYS 19 37.137 15.976 19.415
178 HG2 LYS 19 1HG LYS 19 35.625 17.505 18.307
179 HG3 LYS 19 2HG LYS 19 34.808 16.203 17.465
180 HD2 LYS 19 1HD LYS 19 33.380 16.863 19.304
181 HD3 LYS 19 2HD LYS 19 34.052 15.296 19.714
182 HE2 LYS 19 1HE LYS 19 35.743 16.340 21.167
183 HE3 LYS 19 2HE LYS 19 35.249 17.943 20.661
184 HZ1 LYS 19 3HZ LYS 19 33.097 17.533 21.630
185 HZ2 LYS 19 1HZ LYS 19 33.533 16.024 22.080
186 HZ3 LYS 19 2HZ LYS 19 34.264 17.321 22.753
187 H LYS 20 H LYS 20 38.016 12.936 17.561
188 HA LYS 20 HA LYS 20 40.538 13.367 18.757
189 HB2 LYS 20 1HB LYS 20 39.161 10.941 17.591
190 HB3 LYS 20 2HB LYS 20 40.773 10.867 18.274
191 HG2 LYS 20 1HG LYS 20 39.803 11.948 20.398
192 HG3 LYS 20 2HG LYS 20 38.212 11.710 19.702
193 HD2 LYS 20 1HD LYS 20 38.403 9.733 20.912
194 HD3 LYS 20 2HD LYS 20 39.060 9.199 19.377
195 HE2 LYS 20 1HE LYS 20 41.382 9.952 20.334
196 HE3 LYS 20 2HE LYS 20 40.582 9.984 21.892
197 HZ1 LYS 20 3HZ LYS 20 40.848 7.675 20.102
198 HZ2 LYS 20 1HZ LYS 20 41.502 7.859 21.587
199 HZ3 LYS 20 2HZ LYS 20 39.888 7.672 21.423
200 H LYS 21 H LYS 21 39.371 12.883 15.411
201 HA LYS 21 HA LYS 21 41.968 12.493 14.337
202 HB2 LYS 21 1HB LYS 21 39.262 13.111 13.139
203 HB3 LYS 21 2HB LYS 21 40.709 12.990 12.158
204 HG2 LYS 21 1HG LYS 21 41.091 10.689 12.847
205 HG3 LYS 21 2HG LYS 21 39.865 10.792 14.095
206 HD2 LYS 21 1HD LYS 21 38.121 11.165 12.307
207 HD3 LYS 21 2HD LYS 21 39.362 10.965 11.087
208 HE2 LYS 21 1HE LYS 21 38.815 8.831 13.194
209 HE3 LYS 21 2HE LYS 21 37.950 8.875 11.671
210 HZ1 LYS 21 3HZ LYS 21 40.856 8.627 12.014
211 HZ2 LYS 21 1HZ LYS 21 39.833 7.486 11.450
212 HZ3 LYS 21 2HZ LYS 21 40.129 8.827 10.566
213 H LEU 22 H LEU 22 39.892 15.293 15.079
214 HA LEU 22 HA LEU 22 41.406 17.112 13.508
215 HG LEU 22 HG LEU 22 40.828 19.556 15.323
216 HB2 LEU 22 1HB LEU 22 39.065 17.469 14.013
217 HB3 LEU 22 2HB LEU 22 39.403 17.516 15.732
218 HD11 LEU 22 1HD1 LEU 22 41.357 19.330 13.004
219 HD12 LEU 22 2HD1 LEU 22 39.636 19.319 12.550
220 HD13 LEU 22 3HD1 LEU 22 40.375 20.803 13.198
221 HD21 LEU 22 3HD2 LEU 22 37.894 19.736 14.584
222 HD22 LEU 22 1HD2 LEU 22 38.575 19.730 16.228
223 HD23 LEU 22 2HD2 LEU 22 38.917 21.087 15.128
224 H LYS 23 H LYS 23 41.425 16.011 16.928
225 HA LYS 23 HA LYS 23 43.333 18.010 17.676
226 HB2 LYS 23 1HB LYS 23 42.124 15.631 19.105
227 HB3 LYS 23 2HB LYS 23 43.329 16.671 19.838
228 HG2 LYS 23 1HG LYS 23 40.881 17.921 18.565
229 HG3 LYS 23 2HG LYS 23 40.737 17.187 20.149
230 HD2 LYS 23 1HD LYS 23 42.608 18.627 20.985
231 HD3 LYS 23 2HD LYS 23 42.747 19.363 19.401
232 HE2 LYS 23 1HE LYS 23 40.385 20.181 19.576
233 HE3 LYS 23 2HE LYS 23 40.248 19.447 21.160
234 HZ1 LYS 23 3HZ LYS 23 42.044 20.859 21.905
235 HZ2 LYS 23 1HZ LYS 23 42.173 21.544 20.428
236 HZ3 LYS 23 2HZ LYS 23 40.817 21.761 21.313
237 H GLY 24 H GLY 24 43.356 14.720 16.396
238 HA2 GLY 24 1HA GLY 24 45.208 13.712 15.445
239 HA3 GLY 24 2HA GLY 24 46.274 14.800 16.312
240 H GLU 25 H GLU 25 43.641 13.365 18.152
241 HA GLU 25 HA GLU 25 45.517 11.834 19.656
242 HB2 GLU 25 1HB GLU 25 42.490 12.134 19.858
243 HB3 GLU 25 2HB GLU 25 43.454 11.207 20.991
244 HG2 GLU 25 1HG GLU 25 44.810 13.280 21.482
245 HG3 GLU 25 2HG GLU 25 43.768 14.190 20.408
246 H LYS 26 H LYS 26 42.934 11.276 17.232
247 HA LYS 26 HA LYS 26 42.424 9.512 16.006
248 HB2 LYS 26 1HB LYS 26 45.283 8.681 16.585
249 HB3 LYS 26 2HB LYS 26 44.270 8.026 15.315
250 HG2 LYS 26 1HG LYS 26 44.048 10.307 14.311
251 HG3 LYS 26 2HG LYS 26 45.057 10.967 15.583
252 HD2 LYS 26 1HD LYS 26 46.932 9.459 14.862
253 HD3 LYS 26 2HD LYS 26 45.923 8.835 13.572
254 HE2 LYS 26 1HE LYS 26 45.742 11.123 12.590
255 HE3 LYS 26 2HE LYS 26 46.717 11.770 13.894
256 HZ1 LYS 26 3HZ LYS 26 47.603 9.731 11.971
257 HZ2 LYS 26 1HZ LYS 26 48.034 11.306 11.955
258 HZ3 LYS 26 2HZ LYS 26 48.512 10.342 13.183
Start of MODEL 9
1 HA SER 1 HA SER 1 16.789 5.957 4.984
2 HG SER 1 HG SER 1 16.951 3.447 7.866
3 H1 SER 1 1H SER 1 16.041 3.204 4.565
4 HB2 SER 1 1HB SER 1 16.968 5.612 7.460
5 HB3 SER 1 2HB SER 1 15.316 5.568 6.880
6 H MET 2 H MET 2 19.036 6.137 5.878
7 HA MET 2 HA MET 2 20.638 4.045 4.819
8 HB2 MET 2 1HB MET 2 21.244 6.648 6.321
9 HB3 MET 2 2HB MET 2 22.510 5.601 5.710
10 HG2 MET 2 1HG MET 2 21.593 5.842 3.391
11 HG3 MET 2 2HG MET 2 20.322 6.885 4.000
12 HE1 MET 2 3HE MET 2 22.309 7.714 1.688
13 HE2 MET 2 1HE MET 2 21.024 8.772 2.319
14 HE3 MET 2 2HE MET 2 22.685 9.390 2.153
15 H TRP 3 H TRP 3 19.357 4.942 7.967
16 HA TRP 3 HA TRP 3 21.342 3.277 9.319
17 HD1 TRP 3 HD1 TRP 3 17.872 4.201 11.993
18 HE1 TRP 3 HE1 TRP 3 15.836 5.852 11.682
19 HE3 TRP 3 HE3 TRP 3 20.138 7.181 8.553
20 HZ2 TRP 3 HZ2 TRP 3 15.412 8.167 10.068
21 HZ3 TRP 3 HZ3 TRP 3 18.844 9.115 7.659
22 HH2 TRP 3 HH2 TRP 3 16.560 9.628 8.363
23 HB2 TRP 3 1HB TRP 3 20.509 4.262 11.367
24 HB3 TRP 3 2HB TRP 3 21.019 5.494 10.230
25 H SER 4 H SER 4 20.738 1.341 10.350
26 HA SER 4 HA SER 4 18.107 0.384 9.706
27 HG SER 4 HG SER 4 18.325 -2.034 11.488
28 HB2 SER 4 1HB SER 4 20.154 -1.057 9.463
29 HB3 SER 4 2HB SER 4 20.389 -0.986 11.199
30 H GLY 5 H GLY 5 19.702 2.075 12.243
31 HA2 GLY 5 1HA GLY 5 17.484 2.305 13.883
32 HA3 GLY 5 2HA GLY 5 18.400 0.946 14.503
33 H MET 6 H MET 6 21.026 1.539 14.282
34 HA MET 6 HA MET 6 21.382 3.641 16.115
35 HB2 MET 6 1HB MET 6 22.802 1.491 15.758
36 HB3 MET 6 2HB MET 6 23.503 2.289 14.364
37 HG2 MET 6 1HG MET 6 24.161 4.223 15.913
38 HG3 MET 6 2HG MET 6 23.636 3.239 17.264
39 HE1 MET 6 3HE MET 6 25.981 3.287 18.401
40 HE2 MET 6 1HE MET 6 27.504 2.953 17.544
41 HE3 MET 6 2HE MET 6 26.526 4.371 17.098
42 H TRP 7 H TRP 7 21.474 5.807 15.685
43 HA TRP 7 HA TRP 7 22.394 6.637 13.039
44 HD1 TRP 7 HD1 TRP 7 22.342 8.383 11.596
45 HE1 TRP 7 HE1 TRP 7 21.558 10.452 10.159
46 HE3 TRP 7 HE3 TRP 7 17.574 8.467 13.360
47 HZ2 TRP 7 HZ2 TRP 7 19.087 11.860 9.925
48 HZ3 TRP 7 HZ3 TRP 7 16.040 10.221 12.475
49 HH2 TRP 7 HH2 TRP 7 16.728 11.879 10.816
50 HB2 TRP 7 1HB TRP 7 19.963 6.297 12.871
51 HB3 TRP 7 2HB TRP 7 19.712 7.402 14.207
52 H ARG 8 H ARG 8 20.843 7.861 16.104
53 HA ARG 8 HA ARG 8 22.222 10.279 15.921
54 HE ARG 8 HE ARG 8 18.326 8.637 18.038
55 HB2 ARG 8 1HB ARG 8 20.696 8.927 18.194
56 HB3 ARG 8 2HB ARG 8 21.381 10.530 18.363
57 HG2 ARG 8 1HG ARG 8 20.051 11.317 16.402
58 HG3 ARG 8 2HG ARG 8 19.380 9.710 16.203
59 HD2 ARG 8 1HD ARG 8 19.085 11.309 18.788
60 HD3 ARG 8 2HD ARG 8 17.912 11.385 17.489
61 HH11 ARG 8 1HH1 ARG 8 16.995 11.480 19.626
62 HH12 ARG 8 2HH1 ARG 8 15.966 10.568 20.680
63 HH21 ARG 8 1HH2 ARG 8 16.965 7.432 19.425
64 HH22 ARG 8 2HH2 ARG 8 15.930 8.251 20.547
65 H ARG 9 H ARG 9 22.761 7.192 17.677
66 HA ARG 9 HA ARG 9 24.924 8.173 19.173
67 HE ARG 9 HE ARG 9 22.019 5.949 22.343
68 HB2 ARG 9 1HB ARG 9 24.038 5.352 18.405
69 HB3 ARG 9 2HB ARG 9 25.410 5.650 19.454
70 HG2 ARG 9 1HG ARG 9 23.926 6.924 21.023
71 HG3 ARG 9 2HG ARG 9 22.556 6.609 19.976
72 HD2 ARG 9 1HD ARG 9 22.876 4.144 20.302
73 HD3 ARG 9 2HD ARG 9 24.244 4.461 21.350
74 HH11 ARG 9 1HH1 ARG 9 23.056 2.605 21.987
75 HH12 ARG 9 2HH1 ARG 9 22.142 2.042 23.345
76 HH21 ARG 9 1HH2 ARG 9 20.814 5.207 24.137
77 HH22 ARG 9 2HH2 ARG 9 20.857 3.532 24.577
78 H LYS 10 H LYS 10 24.472 6.916 15.898
79 HA LYS 10 HA LYS 10 27.214 6.307 15.442
80 HB2 LYS 10 1HB LYS 10 24.840 5.724 14.187
81 HB3 LYS 10 2HB LYS 10 25.516 6.934 13.115
82 HG2 LYS 10 1HG LYS 10 27.663 5.648 13.017
83 HG3 LYS 10 2HG LYS 10 26.983 4.435 14.085
84 HD2 LYS 10 1HD LYS 10 25.187 3.962 12.409
85 HD3 LYS 10 2HD LYS 10 25.858 5.180 11.343
86 HE2 LYS 10 1HE LYS 10 28.001 3.901 11.216
87 HE3 LYS 10 2HE LYS 10 27.351 2.692 12.304
88 HZ1 LYS 10 3HZ LYS 10 25.631 2.247 10.687
89 HZ2 LYS 10 1HZ LYS 10 26.234 3.377 9.673
90 HZ3 LYS 10 2HZ LYS 10 27.107 2.040 10.019
91 H LEU 11 H LEU 11 25.092 9.168 15.090
92 HA LEU 11 HA LEU 11 27.043 10.685 13.686
93 HG LEU 11 HG LEU 11 24.405 10.205 12.851
94 HB2 LEU 11 1HB LEU 11 24.491 11.382 15.132
95 HB3 LEU 11 2HB LEU 11 25.500 12.586 14.355
96 HD11 LEU 11 1HD1 LEU 11 22.605 11.723 12.040
97 HD12 LEU 11 2HD1 LEU 11 22.475 11.303 13.765
98 HD13 LEU 11 3HD1 LEU 11 23.094 12.901 13.283
99 HD21 LEU 11 3HD2 LEU 11 26.228 11.277 11.726
100 HD22 LEU 11 1HD2 LEU 11 24.719 11.732 10.900
101 HD23 LEU 11 2HD2 LEU 11 25.517 12.887 11.992
102 H LYS 12 H LYS 12 26.206 10.084 17.107
103 HA LYS 12 HA LYS 12 27.877 12.083 18.168
104 HB2 LYS 12 1HB LYS 12 26.052 10.950 19.402
105 HB3 LYS 12 2HB LYS 12 26.971 9.458 19.388
106 HG2 LYS 12 1HG LYS 12 28.816 10.558 20.643
107 HG3 LYS 12 2HG LYS 12 27.950 12.081 20.614
108 HD2 LYS 12 1HD LYS 12 26.077 11.047 21.905
109 HD3 LYS 12 2HD LYS 12 26.929 9.516 21.925
110 HE2 LYS 12 1HE LYS 12 28.825 10.588 23.164
111 HE3 LYS 12 2HE LYS 12 27.974 12.120 23.142
112 HZ1 LYS 12 3HZ LYS 12 26.195 11.080 24.379
113 HZ2 LYS 12 1HZ LYS 12 26.988 9.653 24.400
114 HZ3 LYS 12 2HZ LYS 12 27.608 10.943 25.187
115 H LYS 13 H LYS 13 28.393 8.660 17.180
116 HA LYS 13 HA LYS 13 31.027 8.521 18.157
117 HB2 LYS 13 1HB LYS 13 29.598 6.563 17.677
118 HB3 LYS 13 2HB LYS 13 29.670 6.925 15.964
119 HG2 LYS 13 1HG LYS 13 32.130 6.641 15.968
120 HG3 LYS 13 2HG LYS 13 32.125 6.390 17.703
121 HD2 LYS 13 1HD LYS 13 30.700 4.351 17.401
122 HD3 LYS 13 2HD LYS 13 30.709 4.603 15.667
123 HE2 LYS 13 1HE LYS 13 33.200 4.370 15.642
124 HE3 LYS 13 2HE LYS 13 33.200 4.135 17.379
125 HZ1 LYS 13 3HZ LYS 13 33.229 2.052 16.211
126 HZ2 LYS 13 1HZ LYS 13 31.836 2.182 17.053
127 HZ3 LYS 13 2HZ LYS 13 31.836 2.403 15.435
128 H LEU 14 H LEU 14 29.561 9.591 15.061
129 HA LEU 14 HA LEU 14 31.948 9.845 13.640
130 HG LEU 14 HG LEU 14 31.367 12.225 11.971
131 HB2 LEU 14 1HB LEU 14 29.644 9.849 12.715
132 HB3 LEU 14 2HB LEU 14 29.404 11.453 13.379
133 HD11 LEU 14 1HD1 LEU 14 31.856 10.789 9.964
134 HD12 LEU 14 2HD1 LEU 14 32.498 10.185 11.509
135 HD13 LEU 14 3HD1 LEU 14 31.036 9.452 10.806
136 HD21 LEU 14 3HD2 LEU 14 29.062 12.723 11.367
137 HD22 LEU 14 1HD2 LEU 14 30.035 12.390 9.914
138 HD23 LEU 14 2HD2 LEU 14 28.918 11.153 10.541
139 H ARG 15 H ARG 15 30.105 12.222 15.665
140 HA ARG 15 HA ARG 15 31.782 14.326 15.361
141 HE ARG 15 HE ARG 15 29.994 18.181 17.216
142 HB2 ARG 15 1HB ARG 15 29.571 13.734 16.935
143 HB3 ARG 15 2HB ARG 15 30.819 13.905 18.154
144 HG2 ARG 15 1HG ARG 15 31.448 16.136 17.133
145 HG3 ARG 15 2HG ARG 15 30.110 15.968 16.014
146 HD2 ARG 15 1HD ARG 15 28.508 15.860 17.929
147 HD3 ARG 15 2HD ARG 15 29.839 15.996 19.060
148 HH11 ARG 15 1HH1 ARG 15 27.947 17.020 19.833
149 HH12 ARG 15 2HH1 ARG 15 27.449 18.607 20.318
150 HH21 ARG 15 1HH2 ARG 15 29.343 20.275 17.861
151 HH22 ARG 15 2HH2 ARG 15 28.240 20.470 19.183
152 H ASN 16 H ASN 16 31.917 11.694 17.873
153 HA ASN 16 HA ASN 16 33.985 12.736 19.307
154 HB2 ASN 16 1HB ASN 16 32.556 10.763 19.970
155 HB3 ASN 16 2HB ASN 16 33.381 9.777 18.779
156 HD21 ASN 16 1HD2 ASN 16 33.757 11.658 21.727
157 HD22 ASN 16 2HD2 ASN 16 35.170 10.865 22.337
158 H ALA 17 H ALA 17 33.958 10.501 16.454
159 HA ALA 17 HA ALA 17 36.712 9.920 16.537
160 HB1 ALA 17 3HB ALA 17 34.676 9.767 14.278
161 HB2 ALA 17 1HB ALA 17 36.280 8.996 14.275
162 HB3 ALA 17 2HB ALA 17 35.046 8.479 15.450
163 H LEU 18 H LEU 18 34.719 12.433 14.916
164 HA LEU 18 HA LEU 18 36.756 13.338 13.210
165 HG LEU 18 HG LEU 18 35.828 16.366 13.337
166 HB2 LEU 18 1HB LEU 18 34.412 13.742 12.794
167 HB3 LEU 18 2HB LEU 18 34.265 14.673 14.271
168 HD11 LEU 18 1HD1 LEU 18 36.239 16.295 10.855
169 HD12 LEU 18 2HD1 LEU 18 37.142 15.097 11.813
170 HD13 LEU 18 3HD1 LEU 18 35.707 14.598 10.886
171 HD21 LEU 18 3HD2 LEU 18 33.414 16.683 13.182
172 HD22 LEU 18 1HD2 LEU 18 34.240 17.354 11.755
173 HD23 LEU 18 2HD2 LEU 18 33.384 15.797 11.638
174 H LYS 19 H LYS 19 35.745 14.210 16.552
175 HA LYS 19 HA LYS 19 37.458 16.443 16.728
176 HB2 LYS 19 1HB LYS 19 35.445 16.098 18.123
177 HB3 LYS 19 2HB LYS 19 36.225 14.746 18.919
178 HG2 LYS 19 1HG LYS 19 38.021 16.222 19.762
179 HG3 LYS 19 2HG LYS 19 37.362 17.581 18.874
180 HD2 LYS 19 1HD LYS 19 35.251 17.435 20.208
181 HD3 LYS 19 2HD LYS 19 35.902 16.069 21.093
182 HE2 LYS 19 1HE LYS 19 37.782 17.502 21.922
183 HE3 LYS 19 2HE LYS 19 37.133 18.867 21.037
184 HZ1 LYS 19 3HZ LYS 19 35.729 17.411 23.170
185 HZ2 LYS 19 1HZ LYS 19 36.422 18.882 23.316
186 HZ3 LYS 19 2HZ LYS 19 35.124 18.684 22.345
187 H LYS 20 H LYS 20 37.823 12.938 17.322
188 HA LYS 20 HA LYS 20 40.285 13.131 18.669
189 HB2 LYS 20 1HB LYS 20 38.670 11.173 18.618
190 HB3 LYS 20 2HB LYS 20 39.277 10.802 17.017
191 HG2 LYS 20 1HG LYS 20 41.610 10.670 17.956
192 HG3 LYS 20 2HG LYS 20 40.969 10.986 19.555
193 HD2 LYS 20 1HD LYS 20 39.551 8.924 19.387
194 HD3 LYS 20 2HD LYS 20 40.210 8.606 17.795
195 HE2 LYS 20 1HE LYS 20 42.508 8.444 18.772
196 HE3 LYS 20 2HE LYS 20 41.857 8.777 20.365
197 HZ1 LYS 20 3HZ LYS 20 40.523 6.788 20.171
198 HZ2 LYS 20 1HZ LYS 20 41.128 6.477 18.686
199 HZ3 LYS 20 2HZ LYS 20 42.106 6.432 19.992
200 H LYS 21 H LYS 21 39.323 13.036 15.222
201 HA LYS 21 HA LYS 21 41.962 12.600 14.280
202 HB2 LYS 21 1HB LYS 21 39.365 13.446 12.993
203 HB3 LYS 21 2HB LYS 21 40.862 13.381 12.084
204 HG2 LYS 21 1HG LYS 21 41.155 11.000 12.616
205 HG3 LYS 21 2HG LYS 21 39.785 11.031 13.709
206 HD2 LYS 21 1HD LYS 21 38.265 11.577 11.804
207 HD3 LYS 21 2HD LYS 21 39.630 11.577 10.705
208 HE2 LYS 21 1HE LYS 21 40.084 9.169 11.313
209 HE3 LYS 21 2HE LYS 21 38.663 9.182 12.339
210 HZ1 LYS 21 3HZ LYS 21 38.160 8.326 10.170
211 HZ2 LYS 21 1HZ LYS 21 37.345 9.724 10.398
212 HZ3 LYS 21 2HZ LYS 21 38.672 9.698 9.446
213 H LEU 22 H LEU 22 39.906 15.474 14.930
214 HA LEU 22 HA LEU 22 41.709 17.296 13.735
215 HG LEU 22 HG LEU 22 38.941 17.010 13.228
216 HB2 LEU 22 1HB LEU 22 39.421 17.609 15.675
217 HB3 LEU 22 2HB LEU 22 40.343 18.965 15.057
218 HD11 LEU 22 1HD1 LEU 22 37.820 19.571 14.395
219 HD12 LEU 22 2HD1 LEU 22 37.080 18.611 13.092
220 HD13 LEU 22 3HD1 LEU 22 37.252 17.916 14.721
221 HD21 LEU 22 3HD2 LEU 22 40.610 18.296 12.100
222 HD22 LEU 22 1HD2 LEU 22 39.018 18.963 11.664
223 HD23 LEU 22 2HD2 LEU 22 40.041 19.805 12.853
224 H LYS 23 H LYS 23 41.341 15.846 16.978
225 HA LYS 23 HA LYS 23 43.228 17.548 18.222
226 HB2 LYS 23 1HB LYS 23 41.566 16.352 19.515
227 HB3 LYS 23 2HB LYS 23 42.161 14.806 18.945
228 HG2 LYS 23 1HG LYS 23 44.317 15.149 20.072
229 HG3 LYS 23 2HG LYS 23 43.878 16.789 20.506
230 HD2 LYS 23 1HD LYS 23 42.055 15.970 21.955
231 HD3 LYS 23 2HD LYS 23 42.342 14.320 21.440
232 HE2 LYS 23 1HE LYS 23 44.655 14.426 22.412
233 HE3 LYS 23 2HE LYS 23 44.351 16.069 22.942
234 HZ1 LYS 23 3HZ LYS 23 42.837 13.698 23.791
235 HZ2 LYS 23 1HZ LYS 23 43.929 14.512 24.692
236 HZ3 LYS 23 2HZ LYS 23 42.524 15.227 24.270
237 H GLY 24 H GLY 24 43.395 14.436 16.430
238 HA2 GLY 24 1HA GLY 24 45.197 13.380 15.545
239 HA3 GLY 24 2HA GLY 24 46.236 14.686 16.081
240 H GLU 25 H GLU 25 43.983 12.586 18.000
241 HA GLU 25 HA GLU 25 45.929 12.446 20.036
242 HB2 GLU 25 1HB GLU 25 43.386 12.491 20.321
243 HB3 GLU 25 2HB GLU 25 43.365 10.817 19.807
244 HG2 GLU 25 1HG GLU 25 44.867 10.190 21.682
245 HG3 GLU 25 2HG GLU 25 44.985 11.868 22.174
246 H LYS 26 H LYS 26 47.231 10.695 20.700
247 HA LYS 26 HA LYS 26 46.996 8.136 19.505
248 HB2 LYS 26 1HB LYS 26 49.102 8.163 18.227
249 HB3 LYS 26 2HB LYS 26 47.889 9.225 17.543
250 HG2 LYS 26 1HG LYS 26 48.956 11.185 18.653
251 HG3 LYS 26 2HG LYS 26 50.151 10.134 19.385
252 HD2 LYS 26 1HD LYS 26 50.982 9.470 17.140
253 HD3 LYS 26 2HD LYS 26 49.746 10.446 16.372
254 HE2 LYS 26 1HE LYS 26 50.702 12.503 17.409
255 HE3 LYS 26 2HE LYS 26 51.916 11.540 18.227
256 HZ1 LYS 26 3HZ LYS 26 52.730 10.845 16.076
257 HZ2 LYS 26 1HZ LYS 26 51.595 11.737 15.312
258 HZ3 LYS 26 2HZ LYS 26 52.755 12.474 16.194
Start of MODEL 10
1 HA SER 1 HA SER 1 35.382 -0.434 13.649
2 HG SER 1 HG SER 1 37.484 0.270 16.538
3 H1 SER 1 1H SER 1 37.710 0.542 12.267
4 HB2 SER 1 1HB SER 1 37.184 1.727 14.830
5 HB3 SER 1 2HB SER 1 35.596 1.310 15.441
6 H MET 2 H MET 2 33.598 1.178 13.619
7 HA MET 2 HA MET 2 34.070 3.590 12.171
8 HB2 MET 2 1HB MET 2 33.796 1.713 10.417
9 HB3 MET 2 2HB MET 2 32.165 1.480 11.015
10 HG2 MET 2 1HG MET 2 31.539 3.772 10.397
11 HG3 MET 2 2HG MET 2 33.196 4.167 9.991
12 HE1 MET 2 3HE MET 2 31.534 4.086 6.477
13 HE2 MET 2 1HE MET 2 30.862 4.701 8.006
14 HE3 MET 2 2HE MET 2 32.571 4.995 7.603
15 H TRP 3 H TRP 3 32.303 5.099 12.369
16 HA TRP 3 HA TRP 3 30.762 4.882 14.651
17 HD1 TRP 3 HD1 TRP 3 28.298 6.467 11.267
18 HE1 TRP 3 HE1 TRP 3 28.971 7.136 8.805
19 HE3 TRP 3 HE3 TRP 3 33.229 7.214 12.257
20 HZ2 TRP 3 HZ2 TRP 3 31.434 7.886 7.575
21 HZ3 TRP 3 HZ3 TRP 3 34.699 7.913 10.369
22 HH2 TRP 3 HH2 TRP 3 33.876 8.250 8.093
23 HB2 TRP 3 1HB TRP 3 29.499 6.792 13.725
24 HB3 TRP 3 2HB TRP 3 31.238 7.010 13.711
25 H SER 4 H SER 4 28.972 3.667 15.112
26 HA SER 4 HA SER 4 27.132 3.024 13.037
27 HG SER 4 HG SER 4 30.029 1.326 14.305
28 HB2 SER 4 1HB SER 4 27.370 0.499 13.514
29 HB3 SER 4 2HB SER 4 28.595 1.235 12.499
30 H GLY 5 H GLY 5 25.093 2.315 13.915
31 HA2 GLY 5 1HA GLY 5 24.590 1.493 16.506
32 HA3 GLY 5 2HA GLY 5 24.643 3.245 16.565
33 H MET 6 H MET 6 23.159 4.508 15.184
34 HA MET 6 HA MET 6 21.117 3.052 13.825
35 HB2 MET 6 1HB MET 6 20.361 2.988 16.230
36 HB3 MET 6 2HB MET 6 20.481 4.735 16.314
37 HG2 MET 6 1HG MET 6 18.733 4.967 14.561
38 HG3 MET 6 2HG MET 6 18.647 3.226 14.386
39 HE1 MET 6 3HE MET 6 16.149 5.072 14.994
40 HE2 MET 6 1HE MET 6 16.054 3.303 14.818
41 HE3 MET 6 2HE MET 6 15.305 4.100 16.223
42 H TRP 7 H TRP 7 21.792 6.267 15.401
43 HA TRP 7 HA TRP 7 21.841 7.588 12.879
44 HD1 TRP 7 HD1 TRP 7 21.424 9.982 12.154
45 HE1 TRP 7 HE1 TRP 7 20.415 12.417 12.023
46 HE3 TRP 7 HE3 TRP 7 17.298 8.989 14.954
47 HZ2 TRP 7 HZ2 TRP 7 18.058 13.627 13.081
48 HZ3 TRP 7 HZ3 TRP 7 15.693 10.853 15.359
49 HH2 TRP 7 HH2 TRP 7 16.020 13.108 14.474
50 HB2 TRP 7 1HB TRP 7 19.498 7.405 12.862
51 HB3 TRP 7 2HB TRP 7 19.360 7.757 14.573
52 H ARG 8 H ARG 8 20.705 8.432 16.233
53 HA ARG 8 HA ARG 8 22.324 10.706 16.252
54 HE ARG 8 HE ARG 8 20.396 12.725 19.149
55 HB2 ARG 8 1HB ARG 8 20.836 9.222 18.473
56 HB3 ARG 8 2HB ARG 8 21.658 10.746 18.743
57 HG2 ARG 8 1HG ARG 8 20.253 11.812 16.958
58 HG3 ARG 8 2HG ARG 8 19.424 10.288 16.706
59 HD2 ARG 8 1HD ARG 8 18.009 11.561 18.176
60 HD3 ARG 8 2HD ARG 8 18.767 10.349 19.189
61 HH11 ARG 8 1HH1 ARG 8 17.316 11.577 20.404
62 HH12 ARG 8 2HH1 ARG 8 17.378 12.570 21.823
63 HH21 ARG 8 1HH2 ARG 8 20.479 14.036 21.021
64 HH22 ARG 8 2HH2 ARG 8 19.175 14.000 22.160
65 H ARG 9 H ARG 9 22.702 7.342 17.375
66 HA ARG 9 HA ARG 9 24.974 7.813 18.928
67 HE ARG 9 HE ARG 9 22.042 4.949 21.516
68 HB2 ARG 9 1HB ARG 9 23.928 5.327 17.495
69 HB3 ARG 9 2HB ARG 9 25.348 5.288 18.521
70 HG2 ARG 9 1HG ARG 9 24.007 6.117 20.446
71 HG3 ARG 9 2HG ARG 9 22.585 6.228 19.427
72 HD2 ARG 9 1HD ARG 9 22.698 3.756 19.008
73 HD3 ARG 9 2HD ARG 9 24.112 3.649 20.037
74 HH11 ARG 9 1HH1 ARG 9 22.808 1.782 20.186
75 HH12 ARG 9 2HH1 ARG 9 21.882 0.920 21.371
76 HH21 ARG 9 1HH2 ARG 9 20.813 3.813 23.072
77 HH22 ARG 9 2HH2 ARG 9 20.739 2.083 23.022
78 H LYS 10 H LYS 10 24.361 7.229 15.455
79 HA LYS 10 HA LYS 10 27.036 6.718 14.736
80 HB2 LYS 10 1HB LYS 10 24.504 7.430 13.302
81 HB3 LYS 10 2HB LYS 10 26.023 7.585 12.442
82 HG2 LYS 10 1HG LYS 10 26.583 5.238 12.864
83 HG3 LYS 10 2HG LYS 10 25.216 5.053 13.945
84 HD2 LYS 10 1HD LYS 10 24.436 4.115 11.913
85 HD3 LYS 10 2HD LYS 10 23.730 5.718 11.914
86 HE2 LYS 10 1HE LYS 10 25.541 6.559 10.447
87 HE3 LYS 10 2HE LYS 10 26.347 5.003 10.508
88 HZ1 LYS 10 3HZ LYS 10 23.654 5.463 9.422
89 HZ2 LYS 10 1HZ LYS 10 25.009 5.237 8.537
90 HZ3 LYS 10 2HZ LYS 10 24.425 4.025 9.461
91 H LEU 11 H LEU 11 25.038 9.701 15.014
92 HA LEU 11 HA LEU 11 27.008 11.395 13.924
93 HG LEU 11 HG LEU 11 23.685 11.228 13.752
94 HB2 LEU 11 1HB LEU 11 24.665 11.965 15.746
95 HB3 LEU 11 2HB LEU 11 25.631 13.187 14.943
96 HD11 LEU 11 1HD1 LEU 11 22.811 13.259 12.663
97 HD12 LEU 11 2HD1 LEU 11 22.814 13.385 14.438
98 HD13 LEU 11 3HD1 LEU 11 24.062 14.223 13.484
99 HD21 LEU 11 3HD2 LEU 11 24.483 11.961 11.490
100 HD22 LEU 11 1HD2 LEU 11 25.927 12.634 12.284
101 HD23 LEU 11 2HD2 LEU 11 25.597 10.886 12.369
102 H LYS 12 H LYS 12 26.335 10.103 17.187
103 HA LYS 12 HA LYS 12 28.019 11.919 18.538
104 HB2 LYS 12 1HB LYS 12 26.189 10.680 19.619
105 HB3 LYS 12 2HB LYS 12 27.027 9.167 19.338
106 HG2 LYS 12 1HG LYS 12 28.933 9.926 20.734
107 HG3 LYS 12 2HG LYS 12 28.176 11.491 20.956
108 HD2 LYS 12 1HD LYS 12 26.237 10.395 22.097
109 HD3 LYS 12 2HD LYS 12 26.986 8.827 21.867
110 HE2 LYS 12 1HE LYS 12 28.951 9.563 23.233
111 HE3 LYS 12 2HE LYS 12 28.212 11.135 23.455
112 HZ1 LYS 12 3HZ LYS 12 27.767 9.689 25.302
113 HZ2 LYS 12 1HZ LYS 12 26.366 10.049 24.544
114 HZ3 LYS 12 2HZ LYS 12 27.053 8.583 24.336
115 H LYS 13 H LYS 13 28.482 8.652 17.087
116 HA LYS 13 HA LYS 13 31.111 8.408 18.149
117 HB2 LYS 13 1HB LYS 13 29.490 6.831 16.142
118 HB3 LYS 13 2HB LYS 13 31.154 6.429 16.519
119 HG2 LYS 13 1HG LYS 13 30.607 6.125 18.895
120 HG3 LYS 13 2HG LYS 13 28.976 6.711 18.640
121 HD2 LYS 13 1HD LYS 13 28.507 4.783 17.126
122 HD3 LYS 13 2HD LYS 13 30.146 4.202 17.345
123 HE2 LYS 13 1HE LYS 13 29.678 4.067 19.855
124 HE3 LYS 13 2HE LYS 13 28.005 4.455 19.509
125 HZ1 LYS 13 3HZ LYS 13 29.487 2.124 18.509
126 HZ2 LYS 13 1HZ LYS 13 28.268 2.115 19.597
127 HZ3 LYS 13 2HZ LYS 13 27.970 2.509 18.040
128 H LEU 14 H LEU 14 29.632 9.615 15.132
129 HA LEU 14 HA LEU 14 32.007 9.844 13.668
130 HG LEU 14 HG LEU 14 31.353 12.520 12.319
131 HB2 LEU 14 1HB LEU 14 29.790 9.953 12.684
132 HB3 LEU 14 2HB LEU 14 29.436 11.425 13.564
133 HD11 LEU 14 1HD1 LEU 14 32.024 11.448 10.178
134 HD12 LEU 14 2HD1 LEU 14 32.599 10.586 11.624
135 HD13 LEU 14 3HD1 LEU 14 31.208 9.959 10.709
136 HD21 LEU 14 3HD2 LEU 14 29.030 12.945 11.740
137 HD22 LEU 14 1HD2 LEU 14 30.038 12.878 10.274
138 HD23 LEU 14 2HD2 LEU 14 29.000 11.497 10.705
139 H ARG 15 H ARG 15 30.249 12.217 15.781
140 HA ARG 15 HA ARG 15 32.015 14.251 15.595
141 HE ARG 15 HE ARG 15 28.549 17.258 16.263
142 HB2 ARG 15 1HB ARG 15 30.064 13.286 17.638
143 HB3 ARG 15 2HB ARG 15 31.292 14.364 18.270
144 HG2 ARG 15 1HG ARG 15 30.733 16.049 16.517
145 HG3 ARG 15 2HG ARG 15 29.527 14.968 15.850
146 HD2 ARG 15 1HD ARG 15 28.265 15.025 18.004
147 HD3 ARG 15 2HD ARG 15 29.483 16.076 18.701
148 HH11 ARG 15 1HH1 ARG 15 27.402 16.538 19.511
149 HH12 ARG 15 2HH1 ARG 15 26.310 17.882 19.561
150 HH21 ARG 15 1HH2 ARG 15 27.112 19.032 16.329
151 HH22 ARG 15 2HH2 ARG 15 26.136 19.303 17.734
152 H ASN 16 H ASN 16 32.038 11.507 17.987
153 HA ASN 16 HA ASN 16 34.155 12.360 19.458
154 HB2 ASN 16 1HB ASN 16 32.646 10.394 19.976
155 HB3 ASN 16 2HB ASN 16 33.466 9.462 18.740
156 HD21 ASN 16 1HD2 ASN 16 33.938 11.266 21.741
157 HD22 ASN 16 2HD2 ASN 16 35.296 10.372 22.339
158 H ALA 17 H ALA 17 34.041 10.287 16.484
159 HA ALA 17 HA ALA 17 36.777 9.636 16.502
160 HB1 ALA 17 3HB ALA 17 35.071 8.302 15.348
161 HB2 ALA 17 1HB ALA 17 34.713 9.666 14.262
162 HB3 ALA 17 2HB ALA 17 36.299 8.862 14.189
163 H LEU 18 H LEU 18 34.845 12.310 15.090
164 HA LEU 18 HA LEU 18 36.874 13.187 13.344
165 HG LEU 18 HG LEU 18 36.017 16.240 13.590
166 HB2 LEU 18 1HB LEU 18 34.546 13.665 12.959
167 HB3 LEU 18 2HB LEU 18 34.423 14.543 14.470
168 HD11 LEU 18 1HD1 LEU 18 36.410 16.261 11.108
169 HD12 LEU 18 2HD1 LEU 18 37.284 14.995 12.003
170 HD13 LEU 18 3HD1 LEU 18 35.827 14.580 11.066
171 HD21 LEU 18 3HD2 LEU 18 34.433 17.319 12.062
172 HD22 LEU 18 1HD2 LEU 18 33.542 15.787 11.899
173 HD23 LEU 18 2HD2 LEU 18 33.610 16.613 13.474
174 H LYS 19 H LYS 19 36.002 13.912 16.744
175 HA LYS 19 HA LYS 19 37.702 16.154 16.956
176 HB2 LYS 19 1HB LYS 19 35.753 15.713 18.419
177 HB3 LYS 19 2HB LYS 19 36.587 14.338 19.115
178 HG2 LYS 19 1HG LYS 19 38.393 15.796 19.954
179 HG3 LYS 19 2HG LYS 19 37.693 17.186 19.148
180 HD2 LYS 19 1HD LYS 19 35.649 16.999 20.557
181 HD3 LYS 19 2HD LYS 19 36.301 15.572 21.337
182 HE2 LYS 19 1HE LYS 19 38.199 16.892 22.237
183 HE3 LYS 19 2HE LYS 19 37.637 18.320 21.392
184 HZ1 LYS 19 3HZ LYS 19 36.914 18.303 23.669
185 HZ2 LYS 19 1HZ LYS 19 35.615 18.218 22.682
186 HZ3 LYS 19 2HZ LYS 19 36.133 16.884 23.468
187 H LYS 20 H LYS 20 38.100 12.625 17.466
188 HA LYS 20 HA LYS 20 40.634 12.821 18.675
189 HB2 LYS 20 1HB LYS 20 39.101 10.607 17.316
190 HB3 LYS 20 2HB LYS 20 40.744 10.362 17.871
191 HG2 LYS 20 1HG LYS 20 40.137 10.915 20.168
192 HG3 LYS 20 2HG LYS 20 38.547 11.465 19.678
193 HD2 LYS 20 1HD LYS 20 37.877 9.201 19.045
194 HD3 LYS 20 2HD LYS 20 39.510 8.601 19.253
195 HE2 LYS 20 1HE LYS 20 39.416 9.048 21.680
196 HE3 LYS 20 2HE LYS 20 37.844 9.803 21.515
197 HZ1 LYS 20 3HZ LYS 20 38.414 7.004 20.827
198 HZ2 LYS 20 1HZ LYS 20 37.720 7.497 22.221
199 HZ3 LYS 20 2HZ LYS 20 36.948 7.722 20.799
200 H LYS 21 H LYS 21 39.476 12.766 15.295
201 HA LYS 21 HA LYS 21 42.094 12.210 14.271
202 HB2 LYS 21 1HB LYS 21 39.427 12.854 12.996
203 HB3 LYS 21 2HB LYS 21 40.894 12.650 12.060
204 HG2 LYS 21 1HG LYS 21 40.136 10.531 14.086
205 HG3 LYS 21 2HG LYS 21 39.302 10.571 12.544
206 HD2 LYS 21 1HD LYS 21 41.487 10.440 11.346
207 HD3 LYS 21 2HD LYS 21 42.338 10.438 12.878
208 HE2 LYS 21 1HE LYS 21 41.151 8.316 13.518
209 HE3 LYS 21 2HE LYS 21 40.335 8.314 11.967
210 HZ1 LYS 21 3HZ LYS 21 42.489 8.207 10.904
211 HZ2 LYS 21 1HZ LYS 21 43.248 8.203 12.350
212 HZ3 LYS 21 2HZ LYS 21 42.291 6.949 11.925
213 H LEU 22 H LEU 22 40.032 15.064 14.891
214 HA LEU 22 HA LEU 22 41.712 16.671 13.154
215 HG LEU 22 HG LEU 22 40.495 19.331 14.145
216 HB2 LEU 22 1HB LEU 22 39.303 16.826 12.931
217 HB3 LEU 22 2HB LEU 22 39.138 17.257 14.621
218 HD11 LEU 22 1HD1 LEU 22 40.569 20.064 11.752
219 HD12 LEU 22 2HD1 LEU 22 41.654 18.710 12.150
220 HD13 LEU 22 3HD1 LEU 22 40.128 18.404 11.287
221 HD21 LEU 22 3HD2 LEU 22 38.074 19.410 14.383
222 HD22 LEU 22 1HD2 LEU 22 38.618 20.549 13.128
223 HD23 LEU 22 2HD2 LEU 22 37.871 19.002 12.663
224 H LYS 23 H LYS 23 40.414 16.893 16.553
225 HA LYS 23 HA LYS 23 42.344 18.989 17.030
226 HB2 LYS 23 1HB LYS 23 40.132 17.866 18.776
227 HB3 LYS 23 2HB LYS 23 41.110 19.271 19.151
228 HG2 LYS 23 1HG LYS 23 40.324 20.249 16.886
229 HG3 LYS 23 2HG LYS 23 39.154 18.945 16.836
230 HD2 LYS 23 1HD LYS 23 38.233 19.689 19.044
231 HD3 LYS 23 2HD LYS 23 39.400 20.996 19.089
232 HE2 LYS 23 1HE LYS 23 38.437 21.882 16.924
233 HE3 LYS 23 2HE LYS 23 37.226 20.616 16.974
234 HZ1 LYS 23 3HZ LYS 23 37.614 22.674 19.036
235 HZ2 LYS 23 1HZ LYS 23 36.409 22.641 17.935
236 HZ3 LYS 23 2HZ LYS 23 36.491 21.491 19.092
237 H GLY 24 H GLY 24 41.883 15.548 17.656
238 HA2 GLY 24 1HA GLY 24 43.221 14.048 18.695
239 HA3 GLY 24 2HA GLY 24 44.417 15.300 18.963
240 H GLU 25 H GLU 25 40.938 15.045 19.985
241 HA GLU 25 HA GLU 25 39.982 15.345 21.914
242 HB2 GLU 25 1HB GLU 25 42.446 13.931 23.031
243 HB3 GLU 25 2HB GLU 25 40.924 14.124 23.879
244 HG2 GLU 25 1HG GLU 25 39.781 12.900 21.954
245 HG3 GLU 25 2HG GLU 25 41.367 12.586 21.279
246 H LYS 26 H LYS 26 40.305 17.713 21.648
247 HA LYS 26 HA LYS 26 41.625 18.883 23.867
248 HB2 LYS 26 1HB LYS 26 43.601 18.379 22.467
249 HB3 LYS 26 2HB LYS 26 42.910 19.309 21.152
250 HG2 LYS 26 1HG LYS 26 42.936 21.360 22.514
251 HG3 LYS 26 2HG LYS 26 43.457 20.462 23.927
252 HD2 LYS 26 1HD LYS 26 45.578 19.841 22.759
253 HD3 LYS 26 2HD LYS 26 45.056 20.721 21.335
254 HE2 LYS 26 1HE LYS 26 44.974 22.838 22.670
255 HE3 LYS 26 2HE LYS 26 45.487 21.960 24.098
256 HZ1 LYS 26 3HZ LYS 26 47.033 22.195 21.608
257 HZ2 LYS 26 1HZ LYS 26 47.333 23.000 22.997
258 HZ3 LYS 26 2HZ LYS 26 47.511 21.378 22.939
Start of MODEL 11
1 HA SER 1 HA SER 1 8.706 1.322 17.764
2 HG SER 1 HG SER 1 8.363 3.026 20.917
3 H1 SER 1 1H SER 1 9.735 -0.857 19.327
4 HB2 SER 1 1HB SER 1 10.278 1.798 20.336
5 HB3 SER 1 2HB SER 1 9.890 3.036 19.159
6 H MET 2 H MET 2 10.499 2.510 16.637
7 HA MET 2 HA MET 2 12.992 1.006 16.711
8 HB2 MET 2 1HB MET 2 11.404 1.921 14.250
9 HB3 MET 2 2HB MET 2 13.037 1.293 14.163
10 HG2 MET 2 1HG MET 2 12.207 -0.838 15.292
11 HG3 MET 2 2HG MET 2 10.577 -0.207 15.182
12 HE1 MET 2 3HE MET 2 9.828 -2.323 13.820
13 HE2 MET 2 1HE MET 2 10.659 -2.909 12.358
14 HE3 MET 2 2HE MET 2 11.484 -2.967 13.935
15 H TRP 3 H TRP 3 14.812 2.264 15.507
16 HA TRP 3 HA TRP 3 16.042 4.085 15.255
17 HD1 TRP 3 HD1 TRP 3 11.767 5.405 13.318
18 HE1 TRP 3 HE1 TRP 3 11.212 3.693 11.389
19 HE3 TRP 3 HE3 TRP 3 16.268 3.043 13.405
20 HZ2 TRP 3 HZ2 TRP 3 12.685 1.590 10.143
21 HZ3 TRP 3 HZ3 TRP 3 16.628 1.170 11.799
22 HH2 TRP 3 HH2 TRP 3 14.926 0.435 10.207
23 HB2 TRP 3 1HB TRP 3 13.698 5.901 15.001
24 HB3 TRP 3 2HB TRP 3 15.189 5.845 14.081
25 H SER 4 H SER 4 16.257 3.469 17.715
26 HA SER 4 HA SER 4 14.960 5.333 19.456
27 HG SER 4 HG SER 4 16.781 4.795 21.776
28 HB2 SER 4 1HB SER 4 15.365 2.926 20.072
29 HB3 SER 4 2HB SER 4 17.090 3.235 20.063
30 H GLY 5 H GLY 5 17.836 5.175 17.544
31 HA2 GLY 5 1HA GLY 5 18.638 7.770 18.436
32 HA3 GLY 5 2HA GLY 5 19.749 6.527 18.973
33 H MET 6 H MET 6 17.788 6.663 15.930
34 HA MET 6 HA MET 6 20.052 5.892 14.434
35 HB2 MET 6 1HB MET 6 17.652 5.284 13.899
36 HB3 MET 6 2HB MET 6 17.313 6.968 13.552
37 HG2 MET 6 1HG MET 6 18.927 6.959 11.683
38 HG3 MET 6 2HG MET 6 19.430 5.327 12.078
39 HE1 MET 6 3HE MET 6 18.362 6.348 9.221
40 HE2 MET 6 1HE MET 6 18.946 4.698 9.542
41 HE3 MET 6 2HE MET 6 17.375 4.946 8.743
42 H TRP 7 H TRP 7 21.485 7.119 13.233
43 HA TRP 7 HA TRP 7 22.590 8.913 12.555
44 HD1 TRP 7 HD1 TRP 7 23.626 10.562 11.519
45 HE1 TRP 7 HE1 TRP 7 24.148 12.762 10.158
46 HE3 TRP 7 HE3 TRP 7 18.782 11.681 10.453
47 HZ2 TRP 7 HZ2 TRP 7 22.514 14.680 8.818
48 HZ3 TRP 7 HZ3 TRP 7 18.331 13.735 9.113
49 HH2 TRP 7 HH2 TRP 7 20.103 15.211 8.303
50 HB2 TRP 7 1HB TRP 7 20.609 9.042 11.051
51 HB3 TRP 7 2HB TRP 7 19.868 10.169 12.170
52 H ARG 8 H ARG 8 22.204 8.526 15.383
53 HA ARG 8 HA ARG 8 22.598 11.271 16.156
54 HE ARG 8 HE ARG 8 19.311 12.749 17.461
55 HB2 ARG 8 1HB ARG 8 20.188 10.677 16.689
56 HB3 ARG 8 2HB ARG 8 20.766 9.387 17.725
57 HG2 ARG 8 1HG ARG 8 21.908 10.987 19.193
58 HG3 ARG 8 2HG ARG 8 21.561 12.310 18.098
59 HD2 ARG 8 1HD ARG 8 19.373 10.647 19.430
60 HD3 ARG 8 2HD ARG 8 20.006 12.124 20.130
61 HH11 ARG 8 1HH1 ARG 8 17.721 11.801 20.452
62 HH12 ARG 8 2HH1 ARG 8 16.191 12.479 20.005
63 HH21 ARG 8 1HH2 ARG 8 17.290 13.639 16.866
64 HH22 ARG 8 2HH2 ARG 8 15.953 13.559 17.963
65 H ARG 9 H ARG 9 22.457 7.809 17.304
66 HA ARG 9 HA ARG 9 24.656 8.025 18.978
67 HE ARG 9 HE ARG 9 21.976 5.254 21.709
68 HB2 ARG 9 1HB ARG 9 23.383 5.729 17.441
69 HB3 ARG 9 2HB ARG 9 24.843 5.460 18.371
70 HG2 ARG 9 1HG ARG 9 23.689 6.386 20.410
71 HG3 ARG 9 2HG ARG 9 22.223 6.586 19.470
72 HD2 ARG 9 1HD ARG 9 22.033 4.178 19.106
73 HD3 ARG 9 2HD ARG 9 23.629 3.892 19.770
74 HH11 ARG 9 1HH1 ARG 9 22.269 2.113 20.158
75 HH12 ARG 9 2HH1 ARG 9 21.791 1.228 21.568
76 HH21 ARG 9 1HH2 ARG 9 21.375 4.085 23.585
77 HH22 ARG 9 2HH2 ARG 9 21.240 2.360 23.518
78 H LYS 10 H LYS 10 24.284 7.772 15.457
79 HA LYS 10 HA LYS 10 26.949 7.057 14.876
80 HB2 LYS 10 1HB LYS 10 24.617 7.328 13.452
81 HB3 LYS 10 2HB LYS 10 25.519 8.729 12.912
82 HG2 LYS 10 1HG LYS 10 27.503 7.212 12.456
83 HG3 LYS 10 2HG LYS 10 26.502 5.837 12.877
84 HD2 LYS 10 1HD LYS 10 24.890 6.464 11.057
85 HD3 LYS 10 2HD LYS 10 25.913 7.821 10.628
86 HE2 LYS 10 1HE LYS 10 27.798 6.239 10.140
87 HE3 LYS 10 2HE LYS 10 26.765 4.886 10.557
88 HZ1 LYS 10 3HZ LYS 10 26.247 6.807 8.396
89 HZ2 LYS 10 1HZ LYS 10 26.784 5.278 8.203
90 HZ3 LYS 10 2HZ LYS 10 25.283 5.548 8.784
91 H LEU 11 H LEU 11 25.314 10.070 15.783
92 HA LEU 11 HA LEU 11 27.650 11.616 14.998
93 HG LEU 11 HG LEU 11 24.670 11.519 13.916
94 HB2 LEU 11 1HB LEU 11 25.012 12.528 16.151
95 HB3 LEU 11 2HB LEU 11 26.275 13.549 15.494
96 HD11 LEU 11 1HD1 LEU 11 24.472 14.543 13.957
97 HD12 LEU 11 2HD1 LEU 11 23.561 13.441 12.896
98 HD13 LEU 11 3HD1 LEU 11 23.296 13.403 14.656
99 HD21 LEU 11 3HD2 LEU 11 26.797 11.704 12.887
100 HD22 LEU 11 1HD2 LEU 11 25.687 12.727 11.944
101 HD23 LEU 11 2HD2 LEU 11 26.825 13.472 13.091
102 H LYS 12 H LYS 12 27.124 9.568 17.446
103 HA LYS 12 HA LYS 12 28.912 11.258 19.051
104 HB2 LYS 12 1HB LYS 12 26.966 9.148 20.030
105 HB3 LYS 12 2HB LYS 12 28.210 9.883 21.021
106 HG2 LYS 12 1HG LYS 12 27.226 12.152 20.528
107 HG3 LYS 12 2HG LYS 12 25.953 11.379 19.605
108 HD2 LYS 12 1HD LYS 12 25.228 10.119 21.634
109 HD3 LYS 12 2HD LYS 12 26.518 10.858 22.563
110 HE2 LYS 12 1HE LYS 12 25.536 13.127 22.091
111 HE3 LYS 12 2HE LYS 12 24.230 12.364 21.206
112 HZ1 LYS 12 3HZ LYS 12 24.849 11.909 24.043
113 HZ2 LYS 12 1HZ LYS 12 23.611 12.804 23.469
114 HZ3 LYS 12 2HZ LYS 12 23.635 11.190 23.220
115 H LYS 13 H LYS 13 29.427 9.586 16.641
116 HA LYS 13 HA LYS 13 31.496 7.964 17.876
117 HB2 LYS 13 1HB LYS 13 29.624 6.406 17.599
118 HB3 LYS 13 2HB LYS 13 29.486 6.835 15.905
119 HG2 LYS 13 1HG LYS 13 31.768 5.986 15.464
120 HG3 LYS 13 2HG LYS 13 32.006 5.657 17.169
121 HD2 LYS 13 1HD LYS 13 30.111 4.020 17.117
122 HD3 LYS 13 2HD LYS 13 29.874 4.349 15.412
123 HE2 LYS 13 1HE LYS 13 32.190 3.547 14.924
124 HE3 LYS 13 2HE LYS 13 32.448 3.238 16.629
125 HZ1 LYS 13 3HZ LYS 13 31.778 1.261 15.470
126 HZ2 LYS 13 1HZ LYS 13 30.632 1.668 16.560
127 HZ3 LYS 13 2HZ LYS 13 30.387 1.958 14.972
128 H LEU 14 H LEU 14 29.967 8.824 14.687
129 HA LEU 14 HA LEU 14 32.428 9.056 13.352
130 HG LEU 14 HG LEU 14 31.898 10.968 11.299
131 HB2 LEU 14 1HB LEU 14 30.148 8.743 12.354
132 HB3 LEU 14 2HB LEU 14 29.816 10.427 12.707
133 HD11 LEU 14 1HD1 LEU 14 32.422 9.265 9.554
134 HD12 LEU 14 2HD1 LEU 14 32.929 8.805 11.197
135 HD13 LEU 14 3HD1 LEU 14 31.468 8.083 10.484
136 HD21 LEU 14 3HD2 LEU 14 30.614 10.863 9.200
137 HD22 LEU 14 1HD2 LEU 14 29.432 9.792 9.988
138 HD23 LEU 14 2HD2 LEU 14 29.639 11.463 10.563
139 H ARG 15 H ARG 15 30.282 11.474 14.987
140 HA ARG 15 HA ARG 15 31.858 13.655 14.466
141 HE ARG 15 HE ARG 15 29.645 17.609 15.445
142 HB2 ARG 15 1HB ARG 15 29.504 13.162 15.855
143 HB3 ARG 15 2HB ARG 15 30.585 13.599 17.163
144 HG2 ARG 15 1HG ARG 15 31.227 15.685 15.872
145 HG3 ARG 15 2HG ARG 15 30.034 15.261 14.660
146 HD2 ARG 15 1HD ARG 15 28.235 15.335 16.400
147 HD3 ARG 15 2HD ARG 15 29.426 15.748 17.618
148 HH11 ARG 15 1HH1 ARG 15 27.442 16.754 18.052
149 HH12 ARG 15 2HH1 ARG 15 26.825 18.363 18.230
150 HH21 ARG 15 1HH2 ARG 15 28.824 19.730 15.672
151 HH22 ARG 15 2HH2 ARG 15 27.602 20.062 16.855
152 H ASN 16 H ASN 16 31.805 11.464 17.372
153 HA ASN 16 HA ASN 16 33.665 12.775 18.843
154 HB2 ASN 16 1HB ASN 16 32.285 10.794 19.591
155 HB3 ASN 16 2HB ASN 16 33.295 9.739 18.622
156 HD21 ASN 16 1HD2 ASN 16 33.235 11.981 21.333
157 HD22 ASN 16 2HD2 ASN 16 34.616 11.366 22.180
158 H ALA 17 H ALA 17 34.065 10.220 16.302
159 HA ALA 17 HA ALA 17 36.819 9.838 16.721
160 HB1 ALA 17 3HB ALA 17 36.676 8.669 14.522
161 HB2 ALA 17 1HB ALA 17 35.389 8.172 15.648
162 HB3 ALA 17 2HB ALA 17 35.024 9.301 14.320
163 H LEU 18 H LEU 18 34.894 11.955 14.525
164 HA LEU 18 HA LEU 18 37.058 12.834 12.996
165 HG LEU 18 HG LEU 18 35.932 15.810 12.736
166 HB2 LEU 18 1HB LEU 18 34.779 13.047 12.266
167 HB3 LEU 18 2HB LEU 18 34.383 14.081 13.624
168 HD11 LEU 18 1HD1 LEU 18 36.673 15.575 10.348
169 HD12 LEU 18 2HD1 LEU 18 37.513 14.519 11.510
170 HD13 LEU 18 3HD1 LEU 18 36.246 13.850 10.453
171 HD21 LEU 18 3HD2 LEU 18 34.498 16.534 10.886
172 HD22 LEU 18 1HD2 LEU 18 33.773 14.911 10.809
173 HD23 LEU 18 2HD2 LEU 18 33.542 15.920 12.257
174 H LYS 19 H LYS 19 35.619 14.012 16.079
175 HA LYS 19 HA LYS 19 37.162 16.370 16.150
176 HB2 LYS 19 1HB LYS 19 35.012 16.038 17.341
177 HB3 LYS 19 2HB LYS 19 35.784 14.879 18.404
178 HG2 LYS 19 1HG LYS 19 37.354 16.605 19.219
179 HG3 LYS 19 2HG LYS 19 36.716 17.769 18.076
180 HD2 LYS 19 1HD LYS 19 34.467 17.608 19.174
181 HD3 LYS 19 2HD LYS 19 35.116 16.457 20.325
182 HE2 LYS 19 1HE LYS 19 36.761 18.172 21.115
183 HE3 LYS 19 2HE LYS 19 36.114 19.324 19.964
184 HZ1 LYS 19 3HZ LYS 19 33.970 19.093 21.065
185 HZ2 LYS 19 1HZ LYS 19 34.621 18.078 22.166
186 HZ3 LYS 19 2HZ LYS 19 35.118 19.631 22.094
187 H LYS 20 H LYS 20 37.638 13.012 17.304
188 HA LYS 20 HA LYS 20 39.918 13.562 18.849
189 HB2 LYS 20 1HB LYS 20 38.431 11.506 18.913
190 HB3 LYS 20 2HB LYS 20 39.237 10.962 17.456
191 HG2 LYS 20 1HG LYS 20 41.446 11.095 18.631
192 HG3 LYS 20 2HG LYS 20 40.636 11.634 20.088
193 HD2 LYS 20 1HD LYS 20 39.322 9.498 20.140
194 HD3 LYS 20 2HD LYS 20 40.153 8.958 18.695
195 HE2 LYS 20 1HE LYS 20 42.336 9.056 19.885
196 HE3 LYS 20 2HE LYS 20 41.542 9.663 21.325
197 HZ1 LYS 20 3HZ LYS 20 41.013 7.057 20.071
198 HZ2 LYS 20 1HZ LYS 20 41.875 7.301 21.437
199 HZ3 LYS 20 2HZ LYS 20 40.274 7.623 21.413
200 H LYS 21 H LYS 21 39.357 12.987 15.369
201 HA LYS 21 HA LYS 21 42.100 12.566 14.774
202 HB2 LYS 21 1HB LYS 21 39.547 12.598 13.372
203 HB3 LYS 21 2HB LYS 21 40.795 13.402 12.440
204 HG2 LYS 21 1HG LYS 21 40.901 11.064 11.855
205 HG3 LYS 21 2HG LYS 21 42.304 11.390 12.853
206 HD2 LYS 21 1HD LYS 21 41.004 10.549 14.865
207 HD3 LYS 21 2HD LYS 21 39.690 10.118 13.790
208 HE2 LYS 21 1HE LYS 21 41.181 8.573 12.539
209 HE3 LYS 21 2HE LYS 21 42.541 9.045 13.538
210 HZ1 LYS 21 3HZ LYS 21 41.505 7.015 14.298
211 HZ2 LYS 21 1HZ LYS 21 41.392 8.174 15.443
212 HZ3 LYS 21 2HZ LYS 21 40.085 7.783 14.545
213 H LEU 22 H LEU 22 39.881 15.392 14.840
214 HA LEU 22 HA LEU 22 41.722 17.116 13.554
215 HG LEU 22 HG LEU 22 39.037 16.587 12.825
216 HB2 LEU 22 1HB LEU 22 39.224 17.584 15.179
217 HB3 LEU 22 2HB LEU 22 40.148 18.881 14.448
218 HD11 LEU 22 1HD1 LEU 22 37.160 17.613 13.977
219 HD12 LEU 22 2HD1 LEU 22 37.689 19.228 13.449
220 HD13 LEU 22 3HD1 LEU 22 37.135 18.037 12.248
221 HD21 LEU 22 3HD2 LEU 22 39.199 18.276 10.983
222 HD22 LEU 22 1HD2 LEU 22 40.051 19.350 12.119
223 HD23 LEU 22 2HD2 LEU 22 40.761 17.779 11.677
224 H LYS 23 H LYS 23 41.045 16.174 16.937
225 HA LYS 23 HA LYS 23 42.618 18.374 17.938
226 HB2 LYS 23 1HB LYS 23 40.537 17.695 19.056
227 HB3 LYS 23 2HB LYS 23 41.199 16.103 19.362
228 HG2 LYS 23 1HG LYS 23 43.033 17.109 20.717
229 HG3 LYS 23 2HG LYS 23 42.413 18.714 20.386
230 HD2 LYS 23 1HD LYS 23 40.268 18.131 21.521
231 HD3 LYS 23 2HD LYS 23 40.863 16.512 21.832
232 HE2 LYS 23 1HE LYS 23 42.747 17.472 23.184
233 HE3 LYS 23 2HE LYS 23 42.136 19.087 22.883
234 HZ1 LYS 23 3HZ LYS 23 40.093 18.452 23.978
235 HZ2 LYS 23 1HZ LYS 23 40.662 16.947 24.258
236 HZ3 LYS 23 2HZ LYS 23 41.367 18.234 24.976
237 H GLY 24 H GLY 24 42.758 14.736 18.198
238 HA2 GLY 24 1HA GLY 24 45.452 15.078 19.316
239 HA3 GLY 24 2HA GLY 24 44.390 13.700 19.521
240 H GLU 25 H GLU 25 43.662 12.782 17.113
241 HA GLU 25 HA GLU 25 46.223 11.753 16.344
242 HB2 GLU 25 1HB GLU 25 43.397 10.880 15.596
243 HB3 GLU 25 2HB GLU 25 44.855 10.011 15.164
244 HG2 GLU 25 1HG GLU 25 45.418 9.827 17.631
245 HG3 GLU 25 2HG GLU 25 43.880 10.580 18.002
246 H LYS 26 H LYS 26 46.644 14.027 15.320
247 HA LYS 26 HA LYS 26 45.318 14.684 12.930
248 HB2 LYS 26 1HB LYS 26 47.991 15.478 14.104
249 HB3 LYS 26 2HB LYS 26 47.395 16.121 12.587
250 HG2 LYS 26 1HG LYS 26 45.338 16.950 13.731
251 HG3 LYS 26 2HG LYS 26 45.902 16.280 15.249
252 HD2 LYS 26 1HD LYS 26 47.883 17.769 15.210
253 HD3 LYS 26 2HD LYS 26 47.415 18.391 13.639
254 HE2 LYS 26 1HE LYS 26 45.298 19.289 14.615
255 HE3 LYS 26 2HE LYS 26 45.742 18.648 16.185
256 HZ1 LYS 26 3HZ LYS 26 47.197 20.701 14.670
257 HZ2 LYS 26 1HZ LYS 26 46.370 20.912 16.062
258 HZ3 LYS 26 2HZ LYS 26 47.746 20.035 16.057
Start of MODEL 12
1 HA SER 1 HA SER 1 15.226 3.541 8.620
2 HG SER 1 HG SER 1 16.974 0.477 10.000
3 H1 SER 1 1H SER 1 14.722 0.711 8.158
4 HB2 SER 1 1HB SER 1 16.699 2.651 10.517
5 HB3 SER 1 2HB SER 1 14.973 2.422 10.712
6 H MET 2 H MET 2 16.635 4.283 7.051
7 HA MET 2 HA MET 2 18.464 2.636 5.757
8 HB2 MET 2 1HB MET 2 17.561 4.828 4.891
9 HB3 MET 2 2HB MET 2 18.440 5.683 6.144
10 HG2 MET 2 1HG MET 2 20.601 4.882 5.217
11 HG3 MET 2 2HG MET 2 19.758 3.932 4.010
12 HE1 MET 2 3HE MET 2 21.060 5.070 2.059
13 HE2 MET 2 1HE MET 2 21.229 6.831 1.867
14 HE3 MET 2 2HE MET 2 21.977 6.012 3.258
15 H TRP 3 H TRP 3 18.920 5.147 8.349
16 HA TRP 3 HA TRP 3 21.606 4.116 8.805
17 HD1 TRP 3 HD1 TRP 3 23.554 6.537 8.234
18 HE1 TRP 3 HE1 TRP 3 23.483 8.147 6.145
19 HE3 TRP 3 HE3 TRP 3 18.545 7.390 8.402
20 HZ2 TRP 3 HZ2 TRP 3 21.387 9.565 4.826
21 HZ3 TRP 3 HZ3 TRP 3 17.565 8.900 6.677
22 HH2 TRP 3 HH2 TRP 3 18.901 9.971 4.932
23 HB2 TRP 3 1HB TRP 3 20.159 6.459 10.054
24 HB3 TRP 3 2HB TRP 3 21.837 6.026 10.310
25 H SER 4 H SER 4 20.644 1.968 9.470
26 HA SER 4 HA SER 4 18.982 1.911 11.742
27 HG SER 4 HG SER 4 18.942 0.464 9.051
28 HB2 SER 4 1HB SER 4 20.653 -0.255 10.394
29 HB3 SER 4 2HB SER 4 19.516 -0.570 11.690
30 H GLY 5 H GLY 5 19.577 0.963 13.883
31 HA2 GLY 5 1HA GLY 5 20.993 0.468 15.594
32 HA3 GLY 5 2HA GLY 5 22.370 0.662 14.528
33 H MET 6 H MET 6 19.664 2.849 15.612
34 HA MET 6 HA MET 6 19.673 4.811 16.551
35 HB2 MET 6 1HB MET 6 22.263 3.701 17.762
36 HB3 MET 6 2HB MET 6 21.515 5.181 18.329
37 HG2 MET 6 1HG MET 6 20.001 2.535 18.209
38 HG3 MET 6 2HG MET 6 20.915 3.028 19.621
39 HE1 MET 6 3HE MET 6 17.792 2.388 19.599
40 HE2 MET 6 1HE MET 6 18.707 2.849 21.054
41 HE3 MET 6 2HE MET 6 17.190 3.690 20.653
42 H TRP 7 H TRP 7 19.906 6.114 14.664
43 HA TRP 7 HA TRP 7 22.349 6.527 13.377
44 HD1 TRP 7 HD1 TRP 7 23.422 8.000 12.080
45 HE1 TRP 7 HE1 TRP 7 23.900 9.583 10.024
46 HE3 TRP 7 HE3 TRP 7 18.566 9.260 11.250
47 HZ2 TRP 7 HZ2 TRP 7 22.231 11.150 8.320
48 HZ3 TRP 7 HZ3 TRP 7 18.076 10.821 9.371
49 HH2 TRP 7 HH2 TRP 7 19.814 11.758 7.930
50 HB2 TRP 7 1HB TRP 7 20.063 6.890 12.437
51 HB3 TRP 7 2HB TRP 7 19.936 8.346 13.405
52 H ARG 8 H ARG 8 20.740 8.034 16.187
53 HA ARG 8 HA ARG 8 22.158 10.409 16.119
54 HE ARG 8 HE ARG 8 17.516 11.532 16.845
55 HB2 ARG 8 1HB ARG 8 20.769 8.902 18.382
56 HB3 ARG 8 2HB ARG 8 21.483 10.484 18.626
57 HG2 ARG 8 1HG ARG 8 20.044 11.409 16.793
58 HG3 ARG 8 2HG ARG 8 19.324 9.828 16.564
59 HD2 ARG 8 1HD ARG 8 18.512 9.869 18.946
60 HD3 ARG 8 2HD ARG 8 19.203 11.468 19.144
61 HH11 ARG 8 1HH1 ARG 8 17.260 11.180 20.337
62 HH12 ARG 8 2HH1 ARG 8 15.661 11.840 20.415
63 HH21 ARG 8 1HH2 ARG 8 15.406 12.404 16.947
64 HH22 ARG 8 2HH2 ARG 8 14.601 12.544 18.475
65 H ARG 9 H ARG 9 22.788 7.208 17.625
66 HA ARG 9 HA ARG 9 24.951 8.149 19.160
67 HE ARG 9 HE ARG 9 25.774 5.033 21.489
68 HB2 ARG 9 1HB ARG 9 23.839 5.426 18.421
69 HB3 ARG 9 2HB ARG 9 25.413 5.515 19.186
70 HG2 ARG 9 1HG ARG 9 24.373 6.899 21.044
71 HG3 ARG 9 2HG ARG 9 22.805 6.647 20.303
72 HD2 ARG 9 1HD ARG 9 22.985 4.953 21.993
73 HD3 ARG 9 2HD ARG 9 23.246 4.118 20.474
74 HH11 ARG 9 1HH1 ARG 9 23.274 2.675 22.237
75 HH12 ARG 9 2HH1 ARG 9 24.380 1.524 22.910
76 HH21 ARG 9 1HH2 ARG 9 27.238 3.509 22.365
77 HH22 ARG 9 2HH2 ARG 9 26.646 2.012 23.006
78 H LYS 10 H LYS 10 24.492 6.835 15.886
79 HA LYS 10 HA LYS 10 27.235 6.287 15.407
80 HB2 LYS 10 1HB LYS 10 24.732 6.455 13.768
81 HB3 LYS 10 2HB LYS 10 26.277 6.504 12.943
82 HG2 LYS 10 1HG LYS 10 26.962 4.385 14.056
83 HG3 LYS 10 2HG LYS 10 25.451 4.344 14.941
84 HD2 LYS 10 1HD LYS 10 24.173 4.156 12.830
85 HD3 LYS 10 2HD LYS 10 25.644 4.320 11.892
86 HE2 LYS 10 1HE LYS 10 26.529 2.220 13.020
87 HE3 LYS 10 2HE LYS 10 24.975 2.035 13.807
88 HZ1 LYS 10 3HZ LYS 10 25.106 0.776 11.774
89 HZ2 LYS 10 1HZ LYS 10 23.950 1.922 11.644
90 HZ3 LYS 10 2HZ LYS 10 25.389 2.125 10.898
91 H LEU 11 H LEU 11 25.089 9.133 15.105
92 HA LEU 11 HA LEU 11 27.003 10.685 13.692
93 HG LEU 11 HG LEU 11 24.468 10.275 12.795
94 HB2 LEU 11 1HB LEU 11 24.458 11.303 15.177
95 HB3 LEU 11 2HB LEU 11 25.458 12.565 14.486
96 HD11 LEU 11 1HD1 LEU 11 22.970 12.822 13.463
97 HD12 LEU 11 2HD1 LEU 11 22.557 11.719 12.127
98 HD13 LEU 11 3HD1 LEU 11 22.470 11.149 13.812
99 HD21 LEU 11 3HD2 LEU 11 24.690 11.946 10.983
100 HD22 LEU 11 1HD2 LEU 11 25.331 13.111 12.166
101 HD23 LEU 11 2HD2 LEU 11 26.226 11.613 11.818
102 H LYS 12 H LYS 12 26.222 10.049 17.124
103 HA LYS 12 HA LYS 12 27.901 12.050 18.171
104 HB2 LYS 12 1HB LYS 12 26.082 10.907 19.414
105 HB3 LYS 12 2HB LYS 12 27.015 9.424 19.405
106 HG2 LYS 12 1HG LYS 12 28.851 10.537 20.653
107 HG3 LYS 12 2HG LYS 12 27.988 12.063 20.603
108 HD2 LYS 12 1HD LYS 12 26.110 11.045 21.906
109 HD3 LYS 12 2HD LYS 12 26.966 9.517 21.952
110 HE2 LYS 12 1HE LYS 12 28.854 10.606 23.180
111 HE3 LYS 12 2HE LYS 12 28.010 12.141 23.124
112 HZ1 LYS 12 3HZ LYS 12 27.632 11.005 25.191
113 HZ2 LYS 12 1HZ LYS 12 26.223 11.135 24.376
114 HZ3 LYS 12 2HZ LYS 12 27.007 9.705 24.427
115 H LYS 13 H LYS 13 28.413 8.645 17.137
116 HA LYS 13 HA LYS 13 31.053 8.492 18.107
117 HB2 LYS 13 1HB LYS 13 29.629 6.537 17.612
118 HB3 LYS 13 2HB LYS 13 29.678 6.923 15.904
119 HG2 LYS 13 1HG LYS 13 32.145 6.655 15.882
120 HG3 LYS 13 2HG LYS 13 32.150 6.357 17.608
121 HD2 LYS 13 1HD LYS 13 30.733 4.324 17.266
122 HD3 LYS 13 2HD LYS 13 30.716 4.624 15.539
123 HE2 LYS 13 1HE LYS 13 33.211 4.406 15.476
124 HE3 LYS 13 2HE LYS 13 33.228 4.107 17.203
125 HZ1 LYS 13 3HZ LYS 13 31.864 2.165 16.820
126 HZ2 LYS 13 1HZ LYS 13 31.848 2.444 15.212
127 HZ3 LYS 13 2HZ LYS 13 33.250 2.068 15.961
128 H LEU 14 H LEU 14 29.571 9.585 15.024
129 HA LEU 14 HA LEU 14 31.952 9.860 13.598
130 HG LEU 14 HG LEU 14 31.341 12.278 11.965
131 HB2 LEU 14 1HB LEU 14 29.654 9.864 12.673
132 HB3 LEU 14 2HB LEU 14 29.397 11.455 13.363
133 HD11 LEU 14 1HD1 LEU 14 31.861 10.876 9.940
134 HD12 LEU 14 2HD1 LEU 14 32.514 10.267 11.480
135 HD13 LEU 14 3HD1 LEU 14 31.068 9.514 10.767
136 HD21 LEU 14 3HD2 LEU 14 29.028 12.739 11.362
137 HD22 LEU 14 1HD2 LEU 14 30.011 12.444 9.908
138 HD23 LEU 14 2HD2 LEU 14 28.919 11.177 10.514
139 H ARG 15 H ARG 15 30.108 12.221 15.643
140 HA ARG 15 HA ARG 15 31.783 14.328 15.341
141 HE ARG 15 HE ARG 15 29.971 18.181 17.176
142 HB2 ARG 15 1HB ARG 15 29.567 13.735 16.906
143 HB3 ARG 15 2HB ARG 15 30.810 13.906 18.129
144 HG2 ARG 15 1HG ARG 15 31.441 16.139 17.122
145 HG3 ARG 15 2HG ARG 15 30.118 15.970 15.984
146 HD2 ARG 15 1HD ARG 15 28.492 15.852 17.883
147 HD3 ARG 15 2HD ARG 15 29.810 16.003 19.027
148 HH11 ARG 15 1HH1 ARG 15 27.899 17.017 19.770
149 HH12 ARG 15 2HH1 ARG 15 27.379 18.602 20.240
150 HH21 ARG 15 1HH2 ARG 15 29.291 20.272 17.798
151 HH22 ARG 15 2HH2 ARG 15 28.170 20.465 19.104
152 H ASN 16 H ASN 16 31.906 11.702 17.860
153 HA ASN 16 HA ASN 16 33.977 12.722 19.296
154 HB2 ASN 16 1HB ASN 16 32.554 10.739 19.939
155 HB3 ASN 16 2HB ASN 16 33.374 9.770 18.732
156 HD21 ASN 16 1HD2 ASN 16 33.739 11.581 21.718
157 HD22 ASN 16 2HD2 ASN 16 35.162 10.788 22.307
158 H ALA 17 H ALA 17 33.961 10.483 16.442
159 HA ALA 17 HA ALA 17 36.711 9.920 16.509
160 HB1 ALA 17 3HB ALA 17 35.050 8.497 15.393
161 HB2 ALA 17 1HB ALA 17 34.680 9.804 14.242
162 HB3 ALA 17 2HB ALA 17 36.285 9.033 14.229
163 H LEU 18 H LEU 18 34.724 12.451 14.905
164 HA LEU 18 HA LEU 18 36.776 13.377 13.227
165 HG LEU 18 HG LEU 18 35.844 16.399 13.378
166 HB2 LEU 18 1HB LEU 18 34.437 13.780 12.788
167 HB3 LEU 18 2HB LEU 18 34.269 14.692 14.275
168 HD11 LEU 18 1HD1 LEU 18 37.161 15.148 11.839
169 HD12 LEU 18 2HD1 LEU 18 35.727 14.671 10.898
170 HD13 LEU 18 3HD1 LEU 18 36.267 16.367 10.899
171 HD21 LEU 18 3HD2 LEU 18 33.432 16.722 13.220
172 HD22 LEU 18 1HD2 LEU 18 34.262 17.409 11.803
173 HD23 LEU 18 2HD2 LEU 18 33.403 15.856 11.665
174 H LYS 19 H LYS 19 35.789 14.131 16.592
175 HA LYS 19 HA LYS 19 37.404 16.441 16.786
176 HB2 LYS 19 1HB LYS 19 35.412 16.004 18.184
177 HB3 LYS 19 2HB LYS 19 36.244 14.670 18.958
178 HG2 LYS 19 1HG LYS 19 37.986 16.198 19.817
179 HG3 LYS 19 2HG LYS 19 37.278 17.544 18.949
180 HD2 LYS 19 1HD LYS 19 35.177 17.307 20.284
181 HD3 LYS 19 2HD LYS 19 35.876 15.953 21.148
182 HE2 LYS 19 1HE LYS 19 37.708 17.437 21.994
183 HE3 LYS 19 2HE LYS 19 37.008 18.793 21.131
184 HZ1 LYS 19 3HZ LYS 19 35.011 18.518 22.441
185 HZ2 LYS 19 1HZ LYS 19 35.663 17.256 23.245
186 HZ3 LYS 19 2HZ LYS 19 36.303 18.749 23.412
187 H LYS 20 H LYS 20 37.892 12.945 17.403
188 HA LYS 20 HA LYS 20 40.377 13.287 18.708
189 HB2 LYS 20 1HB LYS 20 38.952 10.944 17.445
190 HB3 LYS 20 2HB LYS 20 40.573 10.789 18.094
191 HG2 LYS 20 1HG LYS 20 39.742 11.709 20.296
192 HG3 LYS 20 2HG LYS 20 38.119 11.754 19.637
193 HD2 LYS 20 1HD LYS 20 38.220 9.688 20.821
194 HD3 LYS 20 2HD LYS 20 38.391 9.234 19.137
195 HE2 LYS 20 1HE LYS 20 40.800 8.978 19.355
196 HE3 LYS 20 2HE LYS 20 40.803 9.732 20.937
197 HZ1 LYS 20 3HZ LYS 20 39.518 7.892 21.767
198 HZ2 LYS 20 1HZ LYS 20 39.466 7.195 20.290
199 HZ3 LYS 20 2HZ LYS 20 40.891 7.339 21.076
200 H LYS 21 H LYS 21 39.319 12.914 15.309
201 HA LYS 21 HA LYS 21 41.930 12.534 14.291
202 HB2 LYS 21 1HB LYS 21 39.265 13.273 13.082
203 HB3 LYS 21 2HB LYS 21 40.726 13.248 12.115
204 HG2 LYS 21 1HG LYS 21 41.132 10.889 12.685
205 HG3 LYS 21 2HG LYS 21 39.793 10.889 13.816
206 HD2 LYS 21 1HD LYS 21 38.201 11.339 11.949
207 HD3 LYS 21 2HD LYS 21 39.532 11.377 10.811
208 HE2 LYS 21 1HE LYS 21 40.101 8.996 11.464
209 HE3 LYS 21 2HE LYS 21 38.688 8.973 12.498
210 HZ1 LYS 21 3HZ LYS 21 37.342 9.440 10.554
211 HZ2 LYS 21 1HZ LYS 21 38.665 9.431 9.596
212 HZ3 LYS 21 2HZ LYS 21 38.196 8.063 10.354
213 H LEU 22 H LEU 22 39.883 15.369 15.050
214 HA LEU 22 HA LEU 22 41.562 17.217 13.712
215 HG LEU 22 HG LEU 22 40.972 19.563 15.658
216 HB2 LEU 22 1HB LEU 22 39.211 17.639 14.118
217 HB3 LEU 22 2HB LEU 22 39.458 17.563 15.852
218 HD11 LEU 22 1HD1 LEU 22 40.699 20.956 13.591
219 HD12 LEU 22 2HD1 LEU 22 41.645 19.465 13.370
220 HD13 LEU 22 3HD1 LEU 22 39.958 19.541 12.806
221 HD21 LEU 22 3HD2 LEU 22 38.673 19.774 16.430
222 HD22 LEU 22 1HD2 LEU 22 39.140 21.182 15.448
223 HD23 LEU 22 2HD2 LEU 22 38.102 19.915 14.750
224 H LYS 23 H LYS 23 41.375 15.858 17.026
225 HA LYS 23 HA LYS 23 43.258 17.740 18.058
226 HB2 LYS 23 1HB LYS 23 41.513 16.810 19.474
227 HB3 LYS 23 2HB LYS 23 42.093 15.180 19.192
228 HG2 LYS 23 1HG LYS 23 44.222 15.678 20.312
229 HG3 LYS 23 2HG LYS 23 43.805 17.374 20.446
230 HD2 LYS 23 1HD LYS 23 41.947 16.860 21.970
231 HD3 LYS 23 2HD LYS 23 42.171 15.138 21.730
232 HE2 LYS 23 1HE LYS 23 44.490 15.334 22.711
233 HE3 LYS 23 2HE LYS 23 44.195 17.035 23.013
234 HZ1 LYS 23 3HZ LYS 23 42.308 16.379 24.379
235 HZ2 LYS 23 1HZ LYS 23 42.653 14.801 24.137
236 HZ3 LYS 23 2HZ LYS 23 43.706 15.753 24.946
237 H GLY 24 H GLY 24 43.353 14.543 16.508
238 HA2 GLY 24 1HA GLY 24 45.209 13.393 15.794
239 HA3 GLY 24 2HA GLY 24 46.256 14.497 16.664
240 H GLU 25 H GLU 25 43.403 13.028 18.220
241 HA GLU 25 HA GLU 25 45.203 11.875 20.139
242 HB2 GLU 25 1HB GLU 25 43.155 13.231 20.778
243 HB3 GLU 25 2HB GLU 25 42.155 11.933 20.156
244 HG2 GLU 25 1HG GLU 25 43.099 10.347 21.780
245 HG3 GLU 25 2HG GLU 25 44.270 11.533 22.322
246 H LYS 26 H LYS 26 45.377 9.644 20.625
247 HA LYS 26 HA LYS 26 44.993 7.946 18.418
248 HB2 LYS 26 1HB LYS 26 45.795 7.442 21.293
249 HB3 LYS 26 2HB LYS 26 45.734 6.177 20.082
250 HG2 LYS 26 1HG LYS 26 47.335 7.461 18.653
251 HG3 LYS 26 2HG LYS 26 47.390 8.735 19.855
252 HD2 LYS 26 1HD LYS 26 48.277 7.108 21.538
253 HD3 LYS 26 2HD LYS 26 48.224 5.835 20.335
254 HE2 LYS 26 1HE LYS 26 49.825 7.124 18.902
255 HE3 LYS 26 2HE LYS 26 49.877 8.397 20.105
256 HZ1 LYS 26 3HZ LYS 26 50.731 6.794 21.679
257 HZ2 LYS 26 1HZ LYS 26 50.683 5.607 20.558
258 HZ3 LYS 26 2HZ LYS 26 51.696 6.872 20.364
Start of MODEL 13
1 HA SER 1 HA SER 1 19.474 4.930 5.559
2 HG SER 1 HG SER 1 17.307 6.108 7.684
3 H1 SER 1 1H SER 1 18.110 2.418 5.448
4 HB2 SER 1 1HB SER 1 17.245 5.664 4.836
5 HB3 SER 1 2HB SER 1 16.481 4.723 6.100
6 H MET 2 H MET 2 19.832 5.621 7.846
7 HA MET 2 HA MET 2 19.632 3.467 9.706
8 HB2 MET 2 1HB MET 2 20.492 6.402 9.966
9 HB3 MET 2 2HB MET 2 20.631 5.238 11.269
10 HG2 MET 2 1HG MET 2 22.082 3.797 9.767
11 HG3 MET 2 2HG MET 2 22.007 5.050 8.545
12 HE1 MET 2 3HE MET 2 25.620 5.525 9.881
13 HE2 MET 2 1HE MET 2 24.743 3.992 9.664
14 HE3 MET 2 2HE MET 2 24.578 5.291 8.457
15 H TRP 3 H TRP 3 18.726 4.008 12.013
16 HA TRP 3 HA TRP 3 16.170 5.418 11.651
17 HD1 TRP 3 HD1 TRP 3 15.841 2.926 15.397
18 HE1 TRP 3 HE1 TRP 3 17.461 1.081 16.366
19 HE3 TRP 3 HE3 TRP 3 18.141 1.878 10.984
20 HZ2 TRP 3 HZ2 TRP 3 19.476 -0.572 15.204
21 HZ3 TRP 3 HZ3 TRP 3 19.924 0.136 10.989
22 HH2 TRP 3 HH2 TRP 3 20.600 -1.071 13.003
23 HB2 TRP 3 1HB TRP 3 15.074 3.752 12.978
24 HB3 TRP 3 2HB TRP 3 15.854 2.991 11.605
25 H SER 4 H SER 4 15.264 6.173 13.829
26 HA SER 4 HA SER 4 17.179 7.856 14.860
27 HG SER 4 HG SER 4 13.355 7.356 16.343
28 HB2 SER 4 1HB SER 4 15.415 8.449 16.549
29 HB3 SER 4 2HB SER 4 14.826 8.449 14.899
30 H GLY 5 H GLY 5 18.022 8.024 17.111
31 HA2 GLY 5 1HA GLY 5 18.820 7.120 19.060
32 HA3 GLY 5 2HA GLY 5 18.046 5.591 18.693
33 H MET 6 H MET 6 19.000 4.413 16.635
34 HA MET 6 HA MET 6 21.697 3.969 17.047
35 HB2 MET 6 1HB MET 6 20.079 2.386 15.943
36 HB3 MET 6 2HB MET 6 19.956 3.467 14.568
37 HG2 MET 6 1HG MET 6 22.742 2.666 15.314
38 HG3 MET 6 2HG MET 6 21.728 1.370 14.713
39 HE1 MET 6 3HE MET 6 22.883 0.890 12.448
40 HE2 MET 6 1HE MET 6 23.633 2.177 11.471
41 HE3 MET 6 2HE MET 6 24.168 1.905 13.147
42 H TRP 7 H TRP 7 19.941 6.131 14.780
43 HA TRP 7 HA TRP 7 22.180 6.784 13.203
44 HD1 TRP 7 HD1 TRP 7 22.981 8.445 11.911
45 HE1 TRP 7 HE1 TRP 7 23.105 10.365 10.105
46 HE3 TRP 7 HE3 TRP 7 18.026 9.582 12.014
47 HZ2 TRP 7 HZ2 TRP 7 21.161 12.105 8.948
48 HZ3 TRP 7 HZ3 TRP 7 17.221 11.403 10.515
49 HH2 TRP 7 HH2 TRP 7 18.699 12.648 9.019
50 HB2 TRP 7 1HB TRP 7 19.811 7.082 12.544
51 HB3 TRP 7 2HB TRP 7 19.664 8.379 13.714
52 H ARG 8 H ARG 8 20.719 8.076 16.230
53 HA ARG 8 HA ARG 8 22.234 10.398 16.272
54 HE ARG 8 HE ARG 8 21.820 12.922 20.432
55 HB2 ARG 8 1HB ARG 8 20.130 9.893 17.629
56 HB3 ARG 8 2HB ARG 8 21.103 8.875 18.673
57 HG2 ARG 8 1HG ARG 8 22.530 10.803 19.285
58 HG3 ARG 8 2HG ARG 8 21.666 11.835 18.164
59 HD2 ARG 8 1HD ARG 8 19.554 11.486 19.464
60 HD3 ARG 8 2HD ARG 8 20.411 10.440 20.580
61 HH11 ARG 8 1HH1 ARG 8 18.761 11.647 21.610
62 HH12 ARG 8 2HH1 ARG 8 18.607 12.827 22.868
63 HH21 ARG 8 1HH2 ARG 8 21.617 14.480 22.091
64 HH22 ARG 8 2HH2 ARG 8 20.241 14.452 23.141
65 H ARG 9 H ARG 9 22.741 7.084 17.582
66 HA ARG 9 HA ARG 9 24.994 7.718 19.080
67 HE ARG 9 HE ARG 9 22.540 4.953 22.101
68 HB2 ARG 9 1HB ARG 9 23.923 5.145 17.856
69 HB3 ARG 9 2HB ARG 9 25.446 5.146 18.721
70 HG2 ARG 9 1HG ARG 9 24.351 6.011 20.754
71 HG3 ARG 9 2HG ARG 9 22.830 6.192 19.901
72 HD2 ARG 9 1HD ARG 9 22.736 3.724 19.523
73 HD3 ARG 9 2HD ARG 9 24.273 3.530 20.342
74 HH11 ARG 9 1HH1 ARG 9 22.844 1.753 20.667
75 HH12 ARG 9 2HH1 ARG 9 22.014 0.955 21.960
76 HH21 ARG 9 1HH2 ARG 9 21.446 3.900 23.808
77 HH22 ARG 9 2HH2 ARG 9 21.220 2.183 23.762
78 H LYS 10 H LYS 10 24.462 6.760 15.659
79 HA LYS 10 HA LYS 10 27.165 6.338 15.020
80 HB2 LYS 10 1HB LYS 10 24.626 6.793 13.497
81 HB3 LYS 10 2HB LYS 10 26.149 6.939 12.643
82 HG2 LYS 10 1HG LYS 10 25.675 4.535 14.425
83 HG3 LYS 10 2HG LYS 10 24.943 4.578 12.833
84 HD2 LYS 10 1HD LYS 10 27.227 5.021 11.839
85 HD3 LYS 10 2HD LYS 10 27.925 4.865 13.439
86 HE2 LYS 10 1HE LYS 10 27.072 2.530 13.606
87 HE3 LYS 10 2HE LYS 10 26.313 2.680 12.033
88 HZ1 LYS 10 3HZ LYS 10 28.452 1.622 11.885
89 HZ2 LYS 10 1HZ LYS 10 28.487 3.042 11.081
90 HZ3 LYS 10 2HZ LYS 10 29.198 2.916 12.545
91 H LEU 11 H LEU 11 25.027 9.237 14.991
92 HA LEU 11 HA LEU 11 26.927 10.894 13.729
93 HG LEU 11 HG LEU 11 24.318 10.547 12.917
94 HB2 LEU 11 1HB LEU 11 24.440 11.410 15.348
95 HB3 LEU 11 2HB LEU 11 25.423 12.711 14.707
96 HD11 LEU 11 1HD1 LEU 11 22.937 13.093 13.800
97 HD12 LEU 11 2HD1 LEU 11 22.446 12.113 12.399
98 HD13 LEU 11 3HD1 LEU 11 22.385 11.418 14.036
99 HD21 LEU 11 3HD2 LEU 11 24.522 12.333 11.199
100 HD22 LEU 11 1HD2 LEU 11 25.287 13.374 12.424
101 HD23 LEU 11 2HD2 LEU 11 26.075 11.858 11.927
102 H LYS 12 H LYS 12 26.216 10.011 17.128
103 HA LYS 12 HA LYS 12 27.822 12.003 18.283
104 HB2 LYS 12 1HB LYS 12 26.059 10.783 19.485
105 HB3 LYS 12 2HB LYS 12 26.970 9.294 19.347
106 HG2 LYS 12 1HG LYS 12 28.838 10.283 20.653
107 HG3 LYS 12 2HG LYS 12 27.991 11.815 20.739
108 HD2 LYS 12 1HD LYS 12 26.124 10.724 21.989
109 HD3 LYS 12 2HD LYS 12 26.949 9.181 21.886
110 HE2 LYS 12 1HE LYS 12 28.884 10.133 23.163
111 HE3 LYS 12 2HE LYS 12 28.054 11.673 23.269
112 HZ1 LYS 12 3HZ LYS 12 26.283 10.568 24.459
113 HZ2 LYS 12 1HZ LYS 12 27.055 9.134 24.360
114 HZ3 LYS 12 2HZ LYS 12 27.706 10.353 25.229
115 H LYS 13 H LYS 13 28.466 8.628 17.185
116 HA LYS 13 HA LYS 13 31.093 8.588 18.222
117 HB2 LYS 13 1HB LYS 13 29.719 6.575 17.787
118 HB3 LYS 13 2HB LYS 13 29.815 6.881 16.065
119 HG2 LYS 13 1HG LYS 13 32.259 6.629 16.093
120 HG3 LYS 13 2HG LYS 13 32.272 6.521 17.842
121 HD2 LYS 13 1HD LYS 13 30.907 4.422 17.719
122 HD3 LYS 13 2HD LYS 13 30.903 4.528 15.970
123 HE2 LYS 13 1HE LYS 13 33.393 4.359 15.940
124 HE3 LYS 13 2HE LYS 13 33.419 4.294 17.691
125 HZ1 LYS 13 3HZ LYS 13 32.119 2.277 17.579
126 HZ2 LYS 13 1HZ LYS 13 32.087 2.339 15.947
127 HZ3 LYS 13 2HZ LYS 13 33.503 2.110 16.728
128 H LEU 14 H LEU 14 29.610 9.576 15.116
129 HA LEU 14 HA LEU 14 31.985 9.829 13.674
130 HG LEU 14 HG LEU 14 31.268 12.310 12.052
131 HB2 LEU 14 1HB LEU 14 29.723 9.790 12.720
132 HB3 LEU 14 2HB LEU 14 29.392 11.360 13.428
133 HD11 LEU 14 1HD1 LEU 14 31.947 10.945 10.044
134 HD12 LEU 14 2HD1 LEU 14 32.616 10.406 11.604
135 HD13 LEU 14 3HD1 LEU 14 31.255 9.526 10.867
136 HD21 LEU 14 3HD2 LEU 14 29.984 12.367 9.962
137 HD22 LEU 14 1HD2 LEU 14 28.986 11.010 10.537
138 HD23 LEU 14 2HD2 LEU 14 28.938 12.573 11.387
139 H ARG 15 H ARG 15 30.121 12.241 15.643
140 HA ARG 15 HA ARG 15 31.802 14.338 15.308
141 HE ARG 15 HE ARG 15 29.987 18.237 17.039
142 HB2 ARG 15 1HB ARG 15 29.571 13.785 16.867
143 HB3 ARG 15 2HB ARG 15 30.803 13.986 18.096
144 HG2 ARG 15 1HG ARG 15 31.446 16.192 17.028
145 HG3 ARG 15 2HG ARG 15 30.121 15.996 15.899
146 HD2 ARG 15 1HD ARG 15 28.500 15.928 17.805
147 HD3 ARG 15 2HD ARG 15 29.822 16.107 18.940
148 HH11 ARG 15 1HH1 ARG 15 27.916 17.143 19.665
149 HH12 ARG 15 2HH1 ARG 15 27.379 18.737 20.076
150 HH21 ARG 15 1HH2 ARG 15 29.281 20.342 17.584
151 HH22 ARG 15 2HH2 ARG 15 28.158 20.568 18.883
152 H ASN 16 H ASN 16 31.905 11.768 17.884
153 HA ASN 16 HA ASN 16 33.945 12.845 19.327
154 HB2 ASN 16 1HB ASN 16 32.515 10.878 20.005
155 HB3 ASN 16 2HB ASN 16 33.366 9.873 18.849
156 HD21 ASN 16 1HD2 ASN 16 33.717 11.861 21.736
157 HD22 ASN 16 2HD2 ASN 16 35.113 11.075 22.395
158 H ALA 17 H ALA 17 33.978 10.545 16.525
159 HA ALA 17 HA ALA 17 36.736 9.991 16.671
160 HB1 ALA 17 3HB ALA 17 36.347 8.993 14.429
161 HB2 ALA 17 1HB ALA 17 35.105 8.498 15.604
162 HB3 ALA 17 2HB ALA 17 34.734 9.745 14.389
163 H LEU 18 H LEU 18 34.743 12.436 14.950
164 HA LEU 18 HA LEU 18 36.798 13.304 13.242
165 HG LEU 18 HG LEU 18 35.842 16.320 13.260
166 HB2 LEU 18 1HB LEU 18 34.459 13.668 12.771
167 HB3 LEU 18 2HB LEU 18 34.272 14.640 14.218
168 HD11 LEU 18 1HD1 LEU 18 36.277 16.190 10.787
169 HD12 LEU 18 2HD1 LEU 18 37.173 15.016 11.780
170 HD13 LEU 18 3HD1 LEU 18 35.749 14.492 10.851
171 HD21 LEU 18 3HD2 LEU 18 33.428 16.620 13.079
172 HD22 LEU 18 1HD2 LEU 18 34.260 17.254 11.637
173 HD23 LEU 18 2HD2 LEU 18 33.412 15.690 11.561
174 H LYS 19 H LYS 19 35.756 14.230 16.552
175 HA LYS 19 HA LYS 19 37.414 16.522 16.653
176 HB2 LYS 19 1HB LYS 19 35.363 16.205 18.009
177 HB3 LYS 19 2HB LYS 19 36.153 14.919 18.898
178 HG2 LYS 19 1HG LYS 19 37.896 16.485 19.694
179 HG3 LYS 19 2HG LYS 19 37.220 17.776 18.721
180 HD2 LYS 19 1HD LYS 19 35.085 17.642 20.019
181 HD3 LYS 19 2HD LYS 19 35.755 16.345 20.989
182 HE2 LYS 19 1HE LYS 19 37.576 17.871 21.780
183 HE3 LYS 19 2HE LYS 19 36.913 19.168 20.805
184 HZ1 LYS 19 3HZ LYS 19 36.148 19.290 23.064
185 HZ2 LYS 19 1HZ LYS 19 34.880 19.006 22.076
186 HZ3 LYS 19 2HZ LYS 19 35.496 17.796 22.984
187 H LYS 20 H LYS 20 37.805 13.056 17.432
188 HA LYS 20 HA LYS 20 40.244 13.384 18.818
189 HB2 LYS 20 1HB LYS 20 38.634 11.424 18.935
190 HB3 LYS 20 2HB LYS 20 39.259 10.908 17.382
191 HG2 LYS 20 1HG LYS 20 41.594 10.916 18.373
192 HG3 LYS 20 2HG LYS 20 40.893 11.302 19.931
193 HD2 LYS 20 1HD LYS 20 39.522 9.200 19.825
194 HD3 LYS 20 2HD LYS 20 40.258 8.809 18.283
195 HE2 LYS 20 1HE LYS 20 42.511 8.753 19.358
196 HE3 LYS 20 2HE LYS 20 41.796 9.178 20.900
197 HZ1 LYS 20 3HZ LYS 20 41.173 6.756 19.355
198 HZ2 LYS 20 1HZ LYS 20 42.102 6.819 20.696
199 HZ3 LYS 20 2HZ LYS 20 40.505 7.153 20.791
200 H LYS 21 H LYS 21 39.317 12.943 15.386
201 HA LYS 21 HA LYS 21 42.004 12.500 14.545
202 HB2 LYS 21 1HB LYS 21 39.402 13.035 13.099
203 HB3 LYS 21 2HB LYS 21 40.928 12.877 12.252
204 HG2 LYS 21 1HG LYS 21 40.127 10.755 14.259
205 HG3 LYS 21 2HG LYS 21 39.395 10.744 12.667
206 HD2 LYS 21 1HD LYS 21 41.680 10.717 11.627
207 HD3 LYS 21 2HD LYS 21 42.400 10.700 13.225
208 HE2 LYS 21 1HE LYS 21 41.261 8.537 13.730
209 HE3 LYS 21 2HE LYS 21 40.501 8.558 12.151
210 HZ1 LYS 21 3HZ LYS 21 42.478 7.233 12.131
211 HZ2 LYS 21 1HZ LYS 21 42.704 8.533 11.168
212 HZ3 LYS 21 2HZ LYS 21 43.397 8.480 12.647
213 H LEU 22 H LEU 22 39.868 15.296 15.057
214 HA LEU 22 HA LEU 22 41.523 17.140 13.686
215 HG LEU 22 HG LEU 22 40.950 19.530 15.513
216 HB2 LEU 22 1HB LEU 22 39.158 17.520 14.129
217 HB3 LEU 22 2HB LEU 22 39.457 17.523 15.856
218 HD11 LEU 22 1HD1 LEU 22 40.549 20.835 13.410
219 HD12 LEU 22 2HD1 LEU 22 41.507 19.348 13.200
220 HD13 LEU 22 3HD1 LEU 22 39.792 19.379 12.721
221 HD21 LEU 22 3HD2 LEU 22 39.085 21.116 15.332
222 HD22 LEU 22 1HD2 LEU 22 38.032 19.807 14.743
223 HD23 LEU 22 2HD2 LEU 22 38.692 19.744 16.395
224 H LYS 23 H LYS 23 41.353 15.862 17.040
225 HA LYS 23 HA LYS 23 43.378 17.550 18.042
226 HB2 LYS 23 1HB LYS 23 41.751 16.387 19.465
227 HB3 LYS 23 2HB LYS 23 42.407 14.835 18.984
228 HG2 LYS 23 1HG LYS 23 44.588 15.382 19.983
229 HG3 LYS 23 2HG LYS 23 44.066 17.020 20.327
230 HD2 LYS 23 1HD LYS 23 42.315 16.156 21.874
231 HD3 LYS 23 2HD LYS 23 42.784 14.508 21.506
232 HE2 LYS 23 1HE LYS 23 45.033 14.885 22.455
233 HE3 LYS 23 2HE LYS 23 44.678 16.582 22.710
234 HZ1 LYS 23 3HZ LYS 23 42.935 15.935 24.226
235 HZ2 LYS 23 1HZ LYS 23 43.247 14.350 23.979
236 HZ3 LYS 23 2HZ LYS 23 44.361 15.298 24.704
237 H GLY 24 H GLY 24 43.330 14.458 16.254
238 HA2 GLY 24 1HA GLY 24 45.094 13.841 14.853
239 HA3 GLY 24 2HA GLY 24 46.215 14.774 15.825
240 H GLU 25 H GLU 25 43.841 12.807 17.531
241 HA GLU 25 HA GLU 25 44.013 11.051 18.797
242 HB2 GLU 25 1HB GLU 25 45.987 10.037 16.703
243 HB3 GLU 25 2HB GLU 25 45.165 9.041 17.887
244 HG2 GLU 25 1HG GLU 25 42.959 9.697 16.931
245 HG3 GLU 25 2HG GLU 25 43.759 10.736 15.769
246 H LYS 26 H LYS 26 45.842 13.329 19.284
247 HA LYS 26 HA LYS 26 48.384 12.369 20.011
248 HB2 LYS 26 1HB LYS 26 46.794 14.817 20.817
249 HB3 LYS 26 2HB LYS 26 48.433 14.518 21.363
250 HG2 LYS 26 1HG LYS 26 49.226 14.413 19.010
251 HG3 LYS 26 2HG LYS 26 47.587 14.631 18.429
252 HD2 LYS 26 1HD LYS 26 47.478 16.864 19.542
253 HD3 LYS 26 2HD LYS 26 49.106 16.645 20.153
254 HE2 LYS 26 1HE LYS 26 49.982 16.517 17.821
255 HE3 LYS 26 2HE LYS 26 48.355 16.684 17.190
256 HZ1 LYS 26 3HZ LYS 26 49.502 18.780 17.241
257 HZ2 LYS 26 1HZ LYS 26 48.222 18.831 18.254
258 HZ3 LYS 26 2HZ LYS 26 49.732 18.677 18.855
Start of MODEL 14
1 HA SER 1 HA SER 1 18.308 4.649 2.877
2 HG SER 1 HG SER 1 20.685 7.248 2.277
3 H1 SER 1 1H SER 1 16.395 6.818 2.651
4 HB2 SER 1 1HB SER 1 18.824 7.538 3.709
5 HB3 SER 1 2HB SER 1 19.851 6.188 4.153
6 H MET 2 H MET 2 18.572 3.867 5.094
7 HA MET 2 HA MET 2 16.715 5.063 6.985
8 HB2 MET 2 1HB MET 2 16.980 2.106 6.220
9 HB3 MET 2 2HB MET 2 16.161 2.625 7.680
10 HG2 MET 2 1HG MET 2 14.623 4.053 6.252
11 HG3 MET 2 2HG MET 2 15.396 3.398 4.822
12 HE1 MET 2 3HE MET 2 13.079 2.547 3.932
13 HE2 MET 2 1HE MET 2 11.958 1.540 4.881
14 HE3 MET 2 2HE MET 2 12.289 3.215 5.381
15 H TRP 3 H TRP 3 17.261 4.676 9.254
16 HA TRP 3 HA TRP 3 19.931 3.525 9.643
17 HD1 TRP 3 HD1 TRP 3 22.374 5.916 9.253
18 HE1 TRP 3 HE1 TRP 3 22.516 7.489 7.140
19 HE3 TRP 3 HE3 TRP 3 17.399 6.941 9.029
20 HZ2 TRP 3 HZ2 TRP 3 20.576 8.953 5.645
21 HZ3 TRP 3 HZ3 TRP 3 16.605 8.452 7.212
22 HH2 TRP 3 HH2 TRP 3 18.104 9.446 5.557
23 HB2 TRP 3 1HB TRP 3 18.989 6.084 10.942
24 HB3 TRP 3 2HB TRP 3 20.557 5.319 11.108
25 H SER 4 H SER 4 18.469 1.643 10.204
26 HA SER 4 HA SER 4 16.613 1.994 12.294
27 HG SER 4 HG SER 4 18.724 -0.924 11.400
28 HB2 SER 4 1HB SER 4 16.586 -0.570 12.234
29 HB3 SER 4 2HB SER 4 16.156 0.242 10.742
30 H GLY 5 H GLY 5 16.778 1.363 14.511
31 HA2 GLY 5 1HA GLY 5 17.779 0.697 16.433
32 HA3 GLY 5 2HA GLY 5 19.140 0.082 15.517
33 H MET 6 H MET 6 20.722 1.737 14.603
34 HA MET 6 HA MET 6 21.008 3.803 16.639
35 HB2 MET 6 1HB MET 6 23.055 2.334 14.887
36 HB3 MET 6 2HB MET 6 23.483 3.639 15.976
37 HG2 MET 6 1HG MET 6 22.681 2.344 17.921
38 HG3 MET 6 2HG MET 6 22.087 1.072 16.872
39 HE1 MET 6 3HE MET 6 26.437 1.989 17.972
40 HE2 MET 6 1HE MET 6 25.394 3.242 17.258
41 HE3 MET 6 2HE MET 6 24.963 2.511 18.822
42 H TRP 7 H TRP 7 21.405 5.965 16.053
43 HA TRP 7 HA TRP 7 22.198 6.540 13.345
44 HD1 TRP 7 HD1 TRP 7 22.436 8.366 12.063
45 HE1 TRP 7 HE1 TRP 7 21.832 9.985 10.069
46 HE3 TRP 7 HE3 TRP 7 17.396 8.102 12.685
47 HZ2 TRP 7 HZ2 TRP 7 19.369 10.951 8.999
48 HZ3 TRP 7 HZ3 TRP 7 15.963 9.413 11.123
49 HH2 TRP 7 HH2 TRP 7 16.873 10.803 9.329
50 HB2 TRP 7 1HB TRP 7 19.686 6.354 13.276
51 HB3 TRP 7 2HB TRP 7 19.616 7.728 14.362
52 H ARG 8 H ARG 8 20.742 8.004 16.347
53 HA ARG 8 HA ARG 8 22.278 10.306 16.160
54 HE ARG 8 HE ARG 8 17.687 11.672 16.841
55 HB2 ARG 8 1HB ARG 8 20.834 8.981 18.502
56 HB3 ARG 8 2HB ARG 8 21.614 10.543 18.652
57 HG2 ARG 8 1HG ARG 8 20.198 11.439 16.800
58 HG3 ARG 8 2HG ARG 8 19.426 9.874 16.627
59 HD2 ARG 8 1HD ARG 8 18.603 10.030 18.996
60 HD3 ARG 8 2HD ARG 8 19.359 11.604 19.149
61 HH11 ARG 8 1HH1 ARG 8 17.400 11.433 20.340
62 HH12 ARG 8 2HH1 ARG 8 15.823 12.147 20.388
63 HH21 ARG 8 1HH2 ARG 8 15.605 12.613 16.903
64 HH22 ARG 8 2HH2 ARG 8 14.798 12.829 18.420
65 H ARG 9 H ARG 9 22.799 7.108 17.663
66 HA ARG 9 HA ARG 9 24.981 7.909 19.224
67 HE ARG 9 HE ARG 9 21.467 4.441 21.809
68 HB2 ARG 9 1HB ARG 9 24.050 5.193 18.183
69 HB3 ARG 9 2HB ARG 9 25.444 5.357 19.232
70 HG2 ARG 9 1HG ARG 9 24.024 6.464 20.963
71 HG3 ARG 9 2HG ARG 9 22.628 6.333 19.912
72 HD2 ARG 9 1HD ARG 9 22.810 3.848 19.945
73 HD3 ARG 9 2HD ARG 9 24.247 3.951 20.942
74 HH11 ARG 9 1HH1 ARG 9 24.835 5.088 22.567
75 HH12 ARG 9 2HH1 ARG 9 24.608 4.986 24.281
76 HH21 ARG 9 1HH2 ARG 9 21.148 4.354 24.078
77 HH22 ARG 9 2HH2 ARG 9 22.474 4.675 25.145
78 H LYS 10 H LYS 10 24.533 6.753 15.871
79 HA LYS 10 HA LYS 10 27.285 6.253 15.392
80 HB2 LYS 10 1HB LYS 10 24.785 6.414 13.750
81 HB3 LYS 10 2HB LYS 10 26.329 6.506 12.928
82 HG2 LYS 10 1HG LYS 10 27.049 4.375 13.981
83 HG3 LYS 10 2HG LYS 10 25.551 4.294 14.887
84 HD2 LYS 10 1HD LYS 10 24.239 4.083 12.822
85 HD3 LYS 10 2HD LYS 10 25.660 4.367 11.836
86 HE2 LYS 10 1HE LYS 10 26.704 2.275 12.786
87 HE3 LYS 10 2HE LYS 10 25.239 1.981 13.701
88 HZ1 LYS 10 3HZ LYS 10 24.040 1.952 11.588
89 HZ2 LYS 10 1HZ LYS 10 25.444 2.123 10.774
90 HZ3 LYS 10 2HZ LYS 10 25.177 0.782 11.665
91 H LEU 11 H LEU 11 25.090 9.068 15.096
92 HA LEU 11 HA LEU 11 26.977 10.643 13.674
93 HG LEU 11 HG LEU 11 24.388 10.117 12.841
94 HB2 LEU 11 1HB LEU 11 24.427 11.253 15.158
95 HB3 LEU 11 2HB LEU 11 25.394 12.500 14.396
96 HD11 LEU 11 1HD1 LEU 11 22.485 11.536 12.110
97 HD12 LEU 11 2HD1 LEU 11 22.414 11.079 13.829
98 HD13 LEU 11 3HD1 LEU 11 22.927 12.718 13.364
99 HD21 LEU 11 3HD2 LEU 11 26.139 11.350 11.747
100 HD22 LEU 11 1HD2 LEU 11 24.595 11.699 10.934
101 HD23 LEU 11 2HD2 LEU 11 25.304 12.893 12.048
102 H LYS 12 H LYS 12 26.194 10.041 17.112
103 HA LYS 12 HA LYS 12 27.829 12.083 18.141
104 HB2 LYS 12 1HB LYS 12 26.057 10.953 19.421
105 HB3 LYS 12 2HB LYS 12 26.955 9.450 19.369
106 HG2 LYS 12 1HG LYS 12 28.840 10.506 20.601
107 HG3 LYS 12 2HG LYS 12 27.999 12.044 20.602
108 HD2 LYS 12 1HD LYS 12 26.054 10.770 21.796
109 HD3 LYS 12 2HD LYS 12 27.221 9.489 22.061
110 HE2 LYS 12 1HE LYS 12 28.751 11.158 23.184
111 HE3 LYS 12 2HE LYS 12 27.523 12.391 22.976
112 HZ1 LYS 12 3HZ LYS 12 27.332 11.422 25.121
113 HZ2 LYS 12 1HZ LYS 12 26.022 10.969 24.258
114 HZ3 LYS 12 2HZ LYS 12 27.234 9.907 24.518
115 H LYS 13 H LYS 13 28.417 8.665 17.175
116 HA LYS 13 HA LYS 13 31.064 8.596 18.129
117 HB2 LYS 13 1HB LYS 13 29.678 6.601 17.674
118 HB3 LYS 13 2HB LYS 13 29.726 6.953 15.959
119 HG2 LYS 13 1HG LYS 13 32.194 6.731 15.945
120 HG3 LYS 13 2HG LYS 13 32.206 6.486 17.680
121 HD2 LYS 13 1HD LYS 13 30.833 4.413 17.400
122 HD3 LYS 13 2HD LYS 13 30.814 4.658 15.665
123 HE2 LYS 13 1HE LYS 13 33.311 4.491 15.612
124 HE3 LYS 13 2HE LYS 13 33.335 4.252 17.347
125 HZ1 LYS 13 3HZ LYS 13 31.994 2.491 15.414
126 HZ2 LYS 13 1HZ LYS 13 33.403 2.172 16.176
127 HZ3 LYS 13 2HZ LYS 13 32.016 2.269 17.032
128 H LEU 14 H LEU 14 29.536 9.656 15.067
129 HA LEU 14 HA LEU 14 31.895 9.887 13.589
130 HG LEU 14 HG LEU 14 31.322 12.177 11.869
131 HB2 LEU 14 1HB LEU 14 29.556 9.878 12.731
132 HB3 LEU 14 2HB LEU 14 29.357 11.506 13.347
133 HD11 LEU 14 1HD1 LEU 14 32.331 10.061 11.418
134 HD12 LEU 14 2HD1 LEU 14 30.813 9.409 10.754
135 HD13 LEU 14 3HD1 LEU 14 31.688 10.691 9.882
136 HD21 LEU 14 3HD2 LEU 14 29.919 12.357 9.858
137 HD22 LEU 14 1HD2 LEU 14 28.771 11.193 10.561
138 HD23 LEU 14 2HD2 LEU 14 29.025 12.774 11.340
139 H ARG 15 H ARG 15 30.094 12.275 15.638
140 HA ARG 15 HA ARG 15 31.788 14.372 15.232
141 HE ARG 15 HE ARG 15 27.929 15.709 16.761
142 HB2 ARG 15 1HB ARG 15 29.548 13.874 16.794
143 HB3 ARG 15 2HB ARG 15 30.780 14.076 18.024
144 HG2 ARG 15 1HG ARG 15 31.465 16.248 16.853
145 HG3 ARG 15 2HG ARG 15 30.062 16.063 15.820
146 HD2 ARG 15 1HD ARG 15 29.810 16.037 18.857
147 HD3 ARG 15 2HD ARG 15 29.801 17.538 17.951
148 HH11 ARG 15 1HH1 ARG 15 28.333 17.568 19.719
149 HH12 ARG 15 2HH1 ARG 15 26.638 17.859 19.921
150 HH21 ARG 15 1HH2 ARG 15 25.692 16.122 17.006
151 HH22 ARG 15 2HH2 ARG 15 25.124 17.011 18.379
152 H ASN 16 H ASN 16 31.848 11.854 17.860
153 HA ASN 16 HA ASN 16 33.924 12.881 19.275
154 HB2 ASN 16 1HB ASN 16 32.473 10.929 19.954
155 HB3 ASN 16 2HB ASN 16 33.301 9.920 18.785
156 HD21 ASN 16 1HD2 ASN 16 33.690 11.872 21.690
157 HD22 ASN 16 2HD2 ASN 16 35.086 11.070 22.328
158 H ALA 17 H ALA 17 33.894 10.626 16.440
159 HA ALA 17 HA ALA 17 36.642 10.003 16.573
160 HB1 ALA 17 3HB ALA 17 34.976 8.552 15.506
161 HB2 ALA 17 1HB ALA 17 34.619 9.815 14.304
162 HB3 ALA 17 2HB ALA 17 36.218 9.033 14.325
163 H LEU 18 H LEU 18 34.689 12.484 14.850
164 HA LEU 18 HA LEU 18 36.750 13.339 13.155
165 HG LEU 18 HG LEU 18 35.858 16.389 13.251
166 HB2 LEU 18 1HB LEU 18 34.420 13.775 12.710
167 HB3 LEU 18 2HB LEU 18 34.267 14.718 14.179
168 HD11 LEU 18 1HD1 LEU 18 35.740 14.611 10.806
169 HD12 LEU 18 2HD1 LEU 18 36.299 16.300 10.778
170 HD13 LEU 18 3HD1 LEU 18 37.172 15.090 11.749
171 HD21 LEU 18 3HD2 LEU 18 34.296 17.380 11.645
172 HD22 LEU 18 1HD2 LEU 18 33.425 15.833 11.531
173 HD23 LEU 18 2HD2 LEU 18 33.449 16.729 13.068
174 H LYS 19 H LYS 19 35.736 14.286 16.474
175 HA LYS 19 HA LYS 19 37.500 16.490 16.609
176 HB2 LYS 19 1HB LYS 19 35.979 14.900 18.683
177 HB3 LYS 19 2HB LYS 19 37.009 16.253 19.104
178 HG2 LYS 19 1HG LYS 19 35.701 17.755 17.633
179 HG3 LYS 19 2HG LYS 19 34.716 16.411 17.092
180 HD2 LYS 19 1HD LYS 19 33.393 17.436 18.777
181 HD3 LYS 19 2HD LYS 19 34.101 16.053 19.589
182 HE2 LYS 19 1HE LYS 19 35.859 17.483 20.583
183 HE3 LYS 19 2HE LYS 19 35.275 18.873 19.689
184 HZ1 LYS 19 3HZ LYS 19 34.429 18.833 21.928
185 HZ2 LYS 19 1HZ LYS 19 33.195 18.693 20.868
186 HZ3 LYS 19 2HZ LYS 19 33.720 17.382 21.689
187 H LYS 20 H LYS 20 37.764 12.994 17.256
188 HA LYS 20 HA LYS 20 40.203 13.165 18.668
189 HB2 LYS 20 1HB LYS 20 38.530 11.256 18.665
190 HB3 LYS 20 2HB LYS 20 39.149 10.806 17.088
191 HG2 LYS 20 1HG LYS 20 41.463 10.640 18.068
192 HG3 LYS 20 2HG LYS 20 40.808 11.034 19.645
193 HD2 LYS 20 1HD LYS 20 39.372 9.009 19.586
194 HD3 LYS 20 2HD LYS 20 39.936 8.631 17.971
195 HE2 LYS 20 1HE LYS 20 42.269 8.391 18.831
196 HE3 LYS 20 2HE LYS 20 41.724 8.799 20.445
197 HZ1 LYS 20 3HZ LYS 20 40.803 6.486 18.884
198 HZ2 LYS 20 1HZ LYS 20 41.852 6.435 20.134
199 HZ3 LYS 20 2HZ LYS 20 40.298 6.866 20.390
200 H LYS 21 H LYS 21 39.288 12.994 15.215
201 HA LYS 21 HA LYS 21 41.921 12.508 14.298
202 HB2 LYS 21 1HB LYS 21 39.367 13.460 12.995
203 HB3 LYS 21 2HB LYS 21 40.872 13.357 12.102
204 HG2 LYS 21 1HG LYS 21 41.076 10.961 12.593
205 HG3 LYS 21 2HG LYS 21 39.704 11.021 13.683
206 HD2 LYS 21 1HD LYS 21 38.211 11.650 11.782
207 HD3 LYS 21 2HD LYS 21 39.579 11.615 10.688
208 HE2 LYS 21 1HE LYS 21 39.941 9.183 11.263
209 HE3 LYS 21 2HE LYS 21 38.520 9.235 12.288
210 HZ1 LYS 21 3HZ LYS 21 37.226 9.850 10.353
211 HZ2 LYS 21 1HZ LYS 21 38.551 9.789 9.401
212 HZ3 LYS 21 2HZ LYS 21 37.990 8.427 10.107
213 H LEU 22 H LEU 22 39.961 15.434 14.993
214 HA LEU 22 HA LEU 22 41.833 17.206 13.815
215 HG LEU 22 HG LEU 22 39.063 16.990 13.261
216 HB2 LEU 22 1HB LEU 22 39.521 17.591 15.713
217 HB3 LEU 22 2HB LEU 22 40.491 18.917 15.102
218 HD11 LEU 22 1HD1 LEU 22 37.996 19.433 14.660
219 HD12 LEU 22 2HD1 LEU 22 37.366 18.921 13.076
220 HD13 LEU 22 3HD1 LEU 22 37.258 17.824 14.474
221 HD21 LEU 22 3HD2 LEU 22 39.221 18.923 11.685
222 HD22 LEU 22 1HD2 LEU 22 40.234 19.756 12.887
223 HD23 LEU 22 2HD2 LEU 22 40.790 18.229 12.161
224 H LYS 23 H LYS 23 41.424 15.681 17.000
225 HA LYS 23 HA LYS 23 43.146 17.347 18.432
226 HB2 LYS 23 1HB LYS 23 41.609 15.771 19.486
227 HB3 LYS 23 2HB LYS 23 42.471 14.414 18.792
228 HG2 LYS 23 1HG LYS 23 44.540 15.098 20.028
229 HG3 LYS 23 2HG LYS 23 43.673 16.450 20.728
230 HD2 LYS 23 1HD LYS 23 42.088 14.899 21.841
231 HD3 LYS 23 2HD LYS 23 42.866 13.524 21.082
232 HE2 LYS 23 1HE LYS 23 45.022 14.139 22.249
233 HE3 LYS 23 2HE LYS 23 44.185 15.451 23.056
234 HZ1 LYS 23 3HZ LYS 23 44.235 13.506 24.424
235 HZ2 LYS 23 1HZ LYS 23 42.687 13.813 24.004
236 HZ3 LYS 23 2HZ LYS 23 43.504 12.600 23.278
237 H GLY 24 H GLY 24 43.724 14.429 16.391
238 HA2 GLY 24 1HA GLY 24 45.810 14.660 15.060
239 HA3 GLY 24 2HA GLY 24 46.619 15.019 16.573
240 H GLU 25 H GLU 25 44.505 12.976 17.820
241 HA GLU 25 HA GLU 25 46.257 10.758 17.629
242 HB2 GLU 25 1HB GLU 25 43.554 11.133 18.988
243 HB3 GLU 25 2HB GLU 25 44.503 9.666 19.121
244 HG2 GLU 25 1HG GLU 25 46.452 11.171 19.930
245 HG3 GLU 25 2HG GLU 25 45.273 12.460 20.066
246 H LYS 26 H LYS 26 46.294 9.812 15.586
247 HA LYS 26 HA LYS 26 44.034 8.290 14.808
248 HB2 LYS 26 1HB LYS 26 43.701 9.424 12.596
249 HB3 LYS 26 2HB LYS 26 43.107 10.317 13.981
250 HG2 LYS 26 1HG LYS 26 45.017 11.810 13.961
251 HG3 LYS 26 2HG LYS 26 45.885 10.797 12.825
252 HD2 LYS 26 1HD LYS 26 44.221 11.287 11.058
253 HD3 LYS 26 2HD LYS 26 43.256 12.216 12.189
254 HE2 LYS 26 1HE LYS 26 44.535 13.833 10.957
255 HE3 LYS 26 2HE LYS 26 45.298 13.735 12.532
256 HZ1 LYS 26 3HZ LYS 26 46.968 12.346 11.642
257 HZ2 LYS 26 1HZ LYS 26 46.200 12.180 10.210
258 HZ3 LYS 26 2HZ LYS 26 46.836 13.624 10.634
Start of MODEL 15
1 HA SER 1 HA SER 1 17.757 -7.816 10.416
2 HG SER 1 HG SER 1 15.568 -6.785 7.067
3 H1 SER 1 1H SER 1 16.715 -6.066 11.646
4 HB2 SER 1 1HB SER 1 17.442 -7.853 7.912
5 HB3 SER 1 2HB SER 1 16.010 -8.302 8.818
6 H MET 2 H MET 2 17.157 -4.936 8.273
7 HA MET 2 HA MET 2 20.028 -4.565 8.286
8 HB2 MET 2 1HB MET 2 17.760 -3.551 6.488
9 HB3 MET 2 2HB MET 2 19.426 -3.052 6.273
10 HG2 MET 2 1HG MET 2 20.114 -5.422 5.932
11 HG3 MET 2 2HG MET 2 18.467 -5.955 6.204
12 HE1 MET 2 3HE MET 2 18.935 -6.443 2.350
13 HE2 MET 2 1HE MET 2 20.166 -6.656 3.619
14 HE3 MET 2 2HE MET 2 18.498 -7.211 3.894
15 H TRP 3 H TRP 3 16.951 -2.652 8.621
16 HA TRP 3 HA TRP 3 18.554 -0.280 9.086
17 HD1 TRP 3 HD1 TRP 3 17.890 1.540 6.593
18 HE1 TRP 3 HE1 TRP 3 17.742 0.800 4.064
19 HE3 TRP 3 HE3 TRP 3 15.025 -2.579 7.421
20 HZ2 TRP 3 HZ2 TRP 3 16.472 -1.377 2.725
21 HZ3 TRP 3 HZ3 TRP 3 14.375 -3.957 5.449
22 HH2 TRP 3 HH2 TRP 3 15.051 -3.414 3.164
23 HB2 TRP 3 1HB TRP 3 15.559 -0.588 8.811
24 HB3 TRP 3 2HB TRP 3 16.455 0.919 8.850
25 H SER 4 H SER 4 19.413 -1.044 11.190
26 HA SER 4 HA SER 4 17.600 -1.538 13.290
27 HG SER 4 HG SER 4 20.492 -1.842 15.442
28 HB2 SER 4 1HB SER 4 19.943 -2.401 13.235
29 HB3 SER 4 2HB SER 4 20.551 -0.762 13.372
30 H GLY 5 H GLY 5 17.323 -0.137 15.241
31 HA2 GLY 5 1HA GLY 5 16.857 2.597 14.515
32 HA3 GLY 5 2HA GLY 5 16.571 1.835 16.065
33 H MET 6 H MET 6 19.160 3.161 13.928
34 HA MET 6 HA MET 6 20.460 4.204 16.253
35 HB2 MET 6 1HB MET 6 21.302 1.764 15.820
36 HB3 MET 6 2HB MET 6 22.042 2.392 14.361
37 HG2 MET 6 1HG MET 6 23.292 4.084 15.767
38 HG3 MET 6 2HG MET 6 22.606 3.358 17.206
39 HE1 MET 6 3HE MET 6 24.931 2.717 18.292
40 HE2 MET 6 1HE MET 6 26.280 2.077 17.324
41 HE3 MET 6 2HE MET 6 25.599 3.678 16.952
42 H TRP 7 H TRP 7 21.236 6.221 15.752
43 HA TRP 7 HA TRP 7 22.205 6.812 13.121
44 HD1 TRP 7 HD1 TRP 7 22.567 8.593 11.729
45 HE1 TRP 7 HE1 TRP 7 22.206 10.689 10.168
46 HE3 TRP 7 HE3 TRP 7 17.643 9.223 12.831
47 HZ2 TRP 7 HZ2 TRP 7 19.952 12.338 9.582
48 HZ3 TRP 7 HZ3 TRP 7 16.436 11.099 11.722
49 HH2 TRP 7 HH2 TRP 7 17.512 12.629 10.146
50 HB2 TRP 7 1HB TRP 7 19.788 6.820 12.711
51 HB3 TRP 7 2HB TRP 7 19.560 7.983 14.002
52 H ARG 8 H ARG 8 20.664 8.244 16.094
53 HA ARG 8 HA ARG 8 22.231 10.513 16.060
54 HE ARG 8 HE ARG 8 17.700 11.972 16.808
55 HB2 ARG 8 1HB ARG 8 20.748 9.070 18.304
56 HB3 ARG 8 2HB ARG 8 21.564 10.597 18.573
57 HG2 ARG 8 1HG ARG 8 20.194 11.648 16.758
58 HG3 ARG 8 2HG ARG 8 19.377 10.121 16.492
59 HD2 ARG 8 1HD ARG 8 18.533 10.160 18.852
60 HD3 ARG 8 2HD ARG 8 19.350 11.687 19.119
61 HH11 ARG 8 1HH1 ARG 8 17.382 11.528 20.283
62 HH12 ARG 8 2HH1 ARG 8 15.846 12.325 20.374
63 HH21 ARG 8 1HH2 ARG 8 15.675 13.023 16.925
64 HH22 ARG 8 2HH2 ARG 8 14.870 13.182 18.449
65 H ARG 9 H ARG 9 22.726 7.241 17.414
66 HA ARG 9 HA ARG 9 24.908 8.001 19.020
67 HE ARG 9 HE ARG 9 21.874 5.605 21.944
68 HB2 ARG 9 1HB ARG 9 23.926 5.296 17.991
69 HB3 ARG 9 2HB ARG 9 25.294 5.449 19.076
70 HG2 ARG 9 1HG ARG 9 23.828 6.644 20.732
71 HG3 ARG 9 2HG ARG 9 22.462 6.442 19.653
72 HD2 ARG 9 1HD ARG 9 22.742 3.948 19.779
73 HD3 ARG 9 2HD ARG 9 24.088 4.161 20.880
74 HH11 ARG 9 1HH1 ARG 9 22.845 2.279 21.332
75 HH12 ARG 9 2HH1 ARG 9 21.868 1.625 22.603
76 HH21 ARG 9 1HH2 ARG 9 20.583 4.743 23.621
77 HH22 ARG 9 2HH2 ARG 9 20.577 3.036 23.918
78 H LYS 10 H LYS 10 24.430 6.918 15.660
79 HA LYS 10 HA LYS 10 27.157 6.354 15.140
80 HB2 LYS 10 1HB LYS 10 24.666 6.724 13.518
81 HB3 LYS 10 2HB LYS 10 26.214 6.801 12.700
82 HG2 LYS 10 1HG LYS 10 26.841 4.580 13.631
83 HG3 LYS 10 2HG LYS 10 25.327 4.505 14.510
84 HD2 LYS 10 1HD LYS 10 24.050 4.530 12.390
85 HD3 LYS 10 2HD LYS 10 25.529 4.728 11.470
86 HE2 LYS 10 1HE LYS 10 26.353 2.519 12.371
87 HE3 LYS 10 2HE LYS 10 24.831 2.319 13.217
88 HZ1 LYS 10 3HZ LYS 10 24.812 1.212 11.101
89 HZ2 LYS 10 1HZ LYS 10 23.707 2.415 11.095
90 HZ3 LYS 10 2HZ LYS 10 25.125 2.604 10.306
91 H LEU 11 H LEU 11 25.079 9.270 15.026
92 HA LEU 11 HA LEU 11 27.036 10.866 13.733
93 HG LEU 11 HG LEU 11 24.339 10.493 12.936
94 HB2 LEU 11 1HB LEU 11 24.523 11.487 15.279
95 HB3 LEU 11 2HB LEU 11 25.540 12.731 14.579
96 HD11 LEU 11 1HD1 LEU 11 23.171 13.216 13.561
97 HD12 LEU 11 2HD1 LEU 11 22.611 12.156 12.244
98 HD13 LEU 11 3HD1 LEU 11 22.475 11.621 13.937
99 HD21 LEU 11 3HD2 LEU 11 25.604 13.152 12.237
100 HD22 LEU 11 1HD2 LEU 11 26.180 11.520 11.823
101 HD23 LEU 11 2HD2 LEU 11 24.690 12.153 11.082
102 H LYS 12 H LYS 12 26.251 9.997 17.106
103 HA LYS 12 HA LYS 12 27.937 11.922 18.287
104 HB2 LYS 12 1HB LYS 12 26.097 10.745 19.454
105 HB3 LYS 12 2HB LYS 12 26.992 9.242 19.348
106 HG2 LYS 12 1HG LYS 12 28.853 10.228 20.668
107 HG3 LYS 12 2HG LYS 12 28.019 11.768 20.727
108 HD2 LYS 12 1HD LYS 12 26.122 10.698 21.957
109 HD3 LYS 12 2HD LYS 12 26.946 9.153 21.889
110 HE2 LYS 12 1HE LYS 12 28.865 10.128 23.181
111 HE3 LYS 12 2HE LYS 12 28.025 11.663 23.260
112 HZ1 LYS 12 3HZ LYS 12 26.202 10.468 24.374
113 HZ2 LYS 12 1HZ LYS 12 27.124 9.121 24.419
114 HZ3 LYS 12 2HZ LYS 12 27.594 10.460 25.227
115 H LYS 13 H LYS 13 28.408 8.560 17.089
116 HA LYS 13 HA LYS 13 31.038 8.319 18.057
117 HB2 LYS 13 1HB LYS 13 29.595 6.415 17.446
118 HB3 LYS 13 2HB LYS 13 29.653 6.897 15.763
119 HG2 LYS 13 1HG LYS 13 32.117 6.597 15.730
120 HG3 LYS 13 2HG LYS 13 32.113 6.202 17.438
121 HD2 LYS 13 1HD LYS 13 30.670 4.211 16.977
122 HD3 LYS 13 2HD LYS 13 30.662 4.608 15.270
123 HE2 LYS 13 1HE LYS 13 33.153 4.359 15.200
124 HE3 LYS 13 2HE LYS 13 33.163 3.966 16.907
125 HZ1 LYS 13 3HZ LYS 13 31.775 2.066 16.416
126 HZ2 LYS 13 1HZ LYS 13 31.765 2.433 14.825
127 HZ3 LYS 13 2HZ LYS 13 33.160 1.998 15.554
128 H LEU 14 H LEU 14 29.608 9.553 14.996
129 HA LEU 14 HA LEU 14 32.021 9.855 13.628
130 HG LEU 14 HG LEU 14 31.380 12.391 12.091
131 HB2 LEU 14 1HB LEU 14 29.779 9.874 12.620
132 HB3 LEU 14 2HB LEU 14 29.448 11.418 13.381
133 HD11 LEU 14 1HD1 LEU 14 32.069 11.103 10.039
134 HD12 LEU 14 2HD1 LEU 14 32.692 10.475 11.583
135 HD13 LEU 14 3HD1 LEU 14 31.325 9.666 10.779
136 HD21 LEU 14 3HD2 LEU 14 29.071 12.741 11.398
137 HD22 LEU 14 1HD2 LEU 14 30.139 12.571 9.983
138 HD23 LEU 14 2HD2 LEU 14 29.098 11.215 10.481
139 H ARG 15 H ARG 15 30.123 12.182 15.664
140 HA ARG 15 HA ARG 15 31.791 14.300 15.418
141 HE ARG 15 HE ARG 15 28.120 17.110 15.841
142 HB2 ARG 15 1HB ARG 15 29.843 13.327 17.465
143 HB3 ARG 15 2HB ARG 15 30.993 14.506 18.060
144 HG2 ARG 15 1HG ARG 15 30.375 16.067 16.222
145 HG3 ARG 15 2HG ARG 15 29.261 14.881 15.570
146 HD2 ARG 15 1HD ARG 15 27.936 14.949 17.692
147 HD3 ARG 15 2HD ARG 15 29.054 16.124 18.356
148 HH11 ARG 15 1HH1 ARG 15 26.908 16.460 19.080
149 HH12 ARG 15 2HH1 ARG 15 25.693 17.692 19.011
150 HH21 ARG 15 1HH2 ARG 15 26.519 18.738 15.749
151 HH22 ARG 15 2HH2 ARG 15 25.467 18.993 17.102
152 H ASN 16 H ASN 16 31.875 11.670 17.937
153 HA ASN 16 HA ASN 16 33.922 12.692 19.406
154 HB2 ASN 16 1HB ASN 16 32.485 10.701 20.012
155 HB3 ASN 16 2HB ASN 16 33.348 9.736 18.831
156 HD21 ASN 16 1HD2 ASN 16 33.655 11.615 21.792
157 HD22 ASN 16 2HD2 ASN 16 35.055 10.819 22.433
158 H ALA 17 H ALA 17 33.953 10.465 16.543
159 HA ALA 17 HA ALA 17 36.707 9.902 16.672
160 HB1 ALA 17 3HB ALA 17 35.068 8.455 15.553
161 HB2 ALA 17 1HB ALA 17 34.713 9.740 14.375
162 HB3 ALA 17 2HB ALA 17 36.320 8.977 14.401
163 H LEU 18 H LEU 18 34.738 12.439 15.077
164 HA LEU 18 HA LEU 18 36.795 13.315 13.360
165 HG LEU 18 HG LEU 18 35.852 16.336 13.430
166 HB2 LEU 18 1HB LEU 18 34.454 13.699 12.900
167 HB3 LEU 18 2HB LEU 18 34.278 14.649 14.362
168 HD11 LEU 18 1HD1 LEU 18 35.756 14.542 10.995
169 HD12 LEU 18 2HD1 LEU 18 36.288 16.240 10.954
170 HD13 LEU 18 3HD1 LEU 18 37.181 15.050 11.933
171 HD21 LEU 18 3HD2 LEU 18 33.423 15.742 11.717
172 HD22 LEU 18 1HD2 LEU 18 33.439 16.648 13.248
173 HD23 LEU 18 2HD2 LEU 18 34.277 17.300 11.819
174 H LYS 19 H LYS 19 35.768 14.163 16.694
175 HA LYS 19 HA LYS 19 37.404 16.456 16.866
176 HB2 LYS 19 1HB LYS 19 35.409 16.049 18.268
177 HB3 LYS 19 2HB LYS 19 36.231 14.717 19.056
178 HG2 LYS 19 1HG LYS 19 37.988 16.244 19.894
179 HG3 LYS 19 2HG LYS 19 37.277 17.587 19.021
180 HD2 LYS 19 1HD LYS 19 35.217 17.437 20.379
181 HD3 LYS 19 2HD LYS 19 35.816 16.002 21.187
182 HE2 LYS 19 1HE LYS 19 36.277 17.789 22.705
183 HE3 LYS 19 2HE LYS 19 37.823 17.428 21.966
184 HZ1 LYS 19 3HZ LYS 19 36.016 19.538 21.013
185 HZ2 LYS 19 1HZ LYS 19 37.279 19.796 22.014
186 HZ3 LYS 19 2HZ LYS 19 37.538 19.254 20.496
187 H LYS 20 H LYS 20 37.849 12.974 17.661
188 HA LYS 20 HA LYS 20 40.340 13.250 18.885
189 HB2 LYS 20 1HB LYS 20 38.935 10.984 17.471
190 HB3 LYS 20 2HB LYS 20 40.560 10.795 18.101
191 HG2 LYS 20 1HG LYS 20 39.819 11.377 20.367
192 HG3 LYS 20 2HG LYS 20 38.220 11.799 19.786
193 HD2 LYS 20 1HD LYS 20 38.048 9.581 20.723
194 HD3 LYS 20 2HD LYS 20 37.951 9.397 18.983
195 HE2 LYS 20 1HE LYS 20 40.289 8.700 18.847
196 HE3 LYS 20 2HE LYS 20 40.567 9.110 20.529
197 HZ1 LYS 20 3HZ LYS 20 39.011 7.403 21.154
198 HZ2 LYS 20 1HZ LYS 20 38.710 7.034 19.592
199 HZ3 LYS 20 2HZ LYS 20 40.190 6.763 20.224
200 H LYS 21 H LYS 21 39.357 12.884 15.437
201 HA LYS 21 HA LYS 21 42.045 12.522 14.575
202 HB2 LYS 21 1HB LYS 21 39.414 12.960 13.149
203 HB3 LYS 21 2HB LYS 21 40.935 12.837 12.287
204 HG2 LYS 21 1HG LYS 21 41.344 10.598 13.166
205 HG3 LYS 21 2HG LYS 21 39.998 10.726 14.281
206 HD2 LYS 21 1HD LYS 21 38.435 10.938 12.300
207 HD3 LYS 21 2HD LYS 21 39.801 10.681 11.233
208 HE2 LYS 21 1HE LYS 21 38.966 8.705 13.409
209 HE3 LYS 21 2HE LYS 21 38.441 8.587 11.742
210 HZ1 LYS 21 3HZ LYS 21 40.329 7.269 11.924
211 HZ2 LYS 21 1HZ LYS 21 40.868 8.620 11.179
212 HZ3 LYS 21 2HZ LYS 21 41.176 8.383 12.766
213 H LEU 22 H LEU 22 39.865 15.263 15.126
214 HA LEU 22 HA LEU 22 41.376 17.123 13.618
215 HG LEU 22 HG LEU 22 40.780 19.538 15.475
216 HB2 LEU 22 1HB LEU 22 39.030 17.444 14.160
217 HB3 LEU 22 2HB LEU 22 39.398 17.481 15.873
218 HD11 LEU 22 1HD1 LEU 22 41.344 19.344 13.169
219 HD12 LEU 22 2HD1 LEU 22 39.632 19.283 12.687
220 HD13 LEU 22 3HD1 LEU 22 40.318 20.788 13.345
221 HD21 LEU 22 3HD2 LEU 22 37.854 19.700 14.703
222 HD22 LEU 22 1HD2 LEU 22 38.513 19.682 16.356
223 HD23 LEU 22 2HD2 LEU 22 38.860 21.052 15.274
224 H LYS 23 H LYS 23 41.460 15.898 16.986
225 HA LYS 23 HA LYS 23 43.425 17.749 17.842
226 HB2 LYS 23 1HB LYS 23 41.886 16.567 19.368
227 HB3 LYS 23 2HB LYS 23 42.641 15.041 18.960
228 HG2 LYS 23 1HG LYS 23 44.829 15.874 19.818
229 HG3 LYS 23 2HG LYS 23 44.103 17.425 20.191
230 HD2 LYS 23 1HD LYS 23 42.536 16.322 21.790
231 HD3 LYS 23 2HD LYS 23 43.226 14.758 21.400
232 HE2 LYS 23 1HE LYS 23 45.463 15.547 22.222
233 HE3 LYS 23 2HE LYS 23 44.760 17.102 22.625
234 HZ1 LYS 23 3HZ LYS 23 43.928 14.521 23.760
235 HZ2 LYS 23 1HZ LYS 23 44.827 15.653 24.521
236 HZ3 LYS 23 2HZ LYS 23 43.271 15.969 24.135
237 H GLY 24 H GLY 24 43.484 14.410 16.475
238 HA2 GLY 24 1HA GLY 24 45.765 14.493 15.071
239 HA3 GLY 24 2HA GLY 24 46.373 14.286 16.702
240 H GLU 25 H GLU 25 44.291 12.672 17.836
241 HA GLU 25 HA GLU 25 44.013 10.547 18.206
242 HB2 GLU 25 1HB GLU 25 42.458 10.936 16.214
243 HB3 GLU 25 2HB GLU 25 43.690 10.222 15.194
244 HG2 GLU 25 1HG GLU 25 43.602 8.119 16.519
245 HG3 GLU 25 2HG GLU 25 42.422 8.831 17.601
246 H LYS 26 H LYS 26 46.370 10.496 18.822
247 HA LYS 26 HA LYS 26 47.749 8.416 17.478
248 HB2 LYS 26 1HB LYS 26 48.177 10.219 15.858
249 HB3 LYS 26 2HB LYS 26 48.844 11.223 17.130
250 HG2 LYS 26 1HG LYS 26 50.631 9.554 17.553
251 HG3 LYS 26 2HG LYS 26 49.939 8.477 16.356
252 HD2 LYS 26 1HD LYS 26 50.323 10.194 14.580
253 HD3 LYS 26 2HD LYS 26 51.001 11.284 15.775
254 HE2 LYS 26 1HE LYS 26 52.801 9.613 16.275
255 HE3 LYS 26 2HE LYS 26 52.123 8.526 15.078
256 HZ1 LYS 26 3HZ LYS 26 53.141 11.228 14.528
257 HZ2 LYS 26 1HZ LYS 26 53.904 9.830 14.169
258 HZ3 LYS 26 2HZ LYS 26 52.509 10.216 13.413
Start of MODEL 16
1 HA SER 1 HA SER 1 17.751 2.691 7.445
2 HG SER 1 HG SER 1 17.848 5.755 4.671
3 H1 SER 1 1H SER 1 15.250 3.978 6.718
4 HB2 SER 1 1HB SER 1 19.006 4.483 6.234
5 HB3 SER 1 2HB SER 1 18.074 3.463 5.154
6 H MET 2 H MET 2 19.236 4.340 8.649
7 HA MET 2 HA MET 2 19.540 5.682 10.336
8 HB2 MET 2 1HB MET 2 17.378 7.278 8.855
9 HB3 MET 2 2HB MET 2 18.332 7.951 10.163
10 HG2 MET 2 1HG MET 2 20.430 7.477 8.863
11 HG3 MET 2 2HG MET 2 19.463 6.835 7.550
12 HE1 MET 2 3HE MET 2 20.626 8.544 5.914
13 HE2 MET 2 1HE MET 2 20.672 10.303 6.183
14 HE3 MET 2 2HE MET 2 21.570 9.212 7.267
15 H TRP 3 H TRP 3 18.531 3.924 11.714
16 HA TRP 3 HA TRP 3 15.819 4.265 12.528
17 HD1 TRP 3 HD1 TRP 3 14.630 1.374 12.370
18 HE1 TRP 3 HE1 TRP 3 14.911 -0.291 10.342
19 HE3 TRP 3 HE3 TRP 3 19.643 2.034 11.842
20 HZ2 TRP 3 HZ2 TRP 3 17.148 -1.126 8.780
21 HZ3 TRP 3 HZ3 TRP 3 20.800 0.757 10.041
22 HH2 TRP 3 HH2 TRP 3 19.634 -0.779 8.539
23 HB2 TRP 3 1HB TRP 3 18.056 2.580 13.670
24 HB3 TRP 3 2HB TRP 3 16.376 2.502 14.167
25 H SER 4 H SER 4 15.059 5.159 14.509
26 HA SER 4 HA SER 4 16.493 7.350 15.405
27 HG SER 4 HG SER 4 14.302 5.057 17.303
28 HB2 SER 4 1HB SER 4 14.723 7.357 17.263
29 HB3 SER 4 2HB SER 4 14.120 7.410 15.618
30 H GLY 5 H GLY 5 17.737 7.727 17.303
31 HA2 GLY 5 1HA GLY 5 18.825 7.157 19.248
32 HA3 GLY 5 2HA GLY 5 18.218 5.517 19.133
33 H MET 6 H MET 6 19.033 4.397 16.875
34 HA MET 6 HA MET 6 21.741 4.025 17.244
35 HB2 MET 6 1HB MET 6 20.037 2.467 16.126
36 HB3 MET 6 2HB MET 6 20.088 3.501 14.712
37 HG2 MET 6 1HG MET 6 22.512 3.057 14.430
38 HG3 MET 6 2HG MET 6 22.535 2.107 15.902
39 HE1 MET 6 3HE MET 6 23.477 -0.030 14.809
40 HE2 MET 6 1HE MET 6 22.889 -0.707 13.272
41 HE3 MET 6 2HE MET 6 23.648 0.902 13.303
42 H TRP 7 H TRP 7 19.917 6.139 14.985
43 HA TRP 7 HA TRP 7 22.099 6.771 13.332
44 HD1 TRP 7 HD1 TRP 7 22.819 8.406 11.909
45 HE1 TRP 7 HE1 TRP 7 22.874 10.418 10.203
46 HE3 TRP 7 HE3 TRP 7 17.930 9.694 12.460
47 HZ2 TRP 7 HZ2 TRP 7 20.912 12.281 9.295
48 HZ3 TRP 7 HZ3 TRP 7 17.080 11.622 11.127
49 HH2 TRP 7 HH2 TRP 7 18.484 12.898 9.586
50 HB2 TRP 7 1HB TRP 7 19.745 7.057 12.700
51 HB3 TRP 7 2HB TRP 7 19.566 8.323 13.900
52 H ARG 8 H ARG 8 20.725 8.157 16.364
53 HA ARG 8 HA ARG 8 22.278 10.466 16.268
54 HE ARG 8 HE ARG 8 17.823 12.044 17.130
55 HB2 ARG 8 1HB ARG 8 20.833 9.028 18.541
56 HB3 ARG 8 2HB ARG 8 21.663 10.550 18.790
57 HG2 ARG 8 1HG ARG 8 20.259 11.583 16.965
58 HG3 ARG 8 2HG ARG 8 19.396 10.067 16.800
59 HD2 ARG 8 1HD ARG 8 18.631 10.216 19.163
60 HD3 ARG 8 2HD ARG 8 19.546 11.694 19.384
61 HH11 ARG 8 1HH1 ARG 8 17.627 11.679 20.625
62 HH12 ARG 8 2HH1 ARG 8 16.160 12.590 20.765
63 HH21 ARG 8 1HH2 ARG 8 15.889 13.247 17.316
64 HH22 ARG 8 2HH2 ARG 8 15.163 13.485 18.870
65 H ARG 9 H ARG 9 22.721 7.199 17.688
66 HA ARG 9 HA ARG 9 24.992 7.837 19.165
67 HE ARG 9 HE ARG 9 22.536 5.189 22.281
68 HB2 ARG 9 1HB ARG 9 23.864 5.253 18.017
69 HB3 ARG 9 2HB ARG 9 25.400 5.247 18.861
70 HG2 ARG 9 1HG ARG 9 24.345 6.188 20.885
71 HG3 ARG 9 2HG ARG 9 22.815 6.361 20.047
72 HD2 ARG 9 1HD ARG 9 22.690 3.885 19.740
73 HD3 ARG 9 2HD ARG 9 24.235 3.698 20.544
74 HH11 ARG 9 1HH1 ARG 9 22.797 1.945 20.939
75 HH12 ARG 9 2HH1 ARG 9 21.986 1.191 22.271
76 HH21 ARG 9 1HH2 ARG 9 21.465 4.194 24.038
77 HH22 ARG 9 2HH2 ARG 9 21.227 2.478 24.047
78 H LYS 10 H LYS 10 24.411 6.854 15.765
79 HA LYS 10 HA LYS 10 27.110 6.346 15.130
80 HB2 LYS 10 1HB LYS 10 24.567 6.780 13.606
81 HB3 LYS 10 2HB LYS 10 26.086 6.875 12.740
82 HG2 LYS 10 1HG LYS 10 26.729 4.623 13.517
83 HG3 LYS 10 2HG LYS 10 25.302 4.528 14.530
84 HD2 LYS 10 1HD LYS 10 24.704 3.309 12.575
85 HD3 LYS 10 2HD LYS 10 23.915 4.860 12.369
86 HE2 LYS 10 1HE LYS 10 25.758 5.643 10.906
87 HE3 LYS 10 2HE LYS 10 26.637 4.150 11.172
88 HZ1 LYS 10 3HZ LYS 10 25.397 4.096 9.128
89 HZ2 LYS 10 1HZ LYS 10 24.819 2.962 10.151
90 HZ3 LYS 10 2HZ LYS 10 23.988 4.347 9.914
91 H LEU 11 H LEU 11 25.022 9.271 15.090
92 HA LEU 11 HA LEU 11 26.931 10.876 13.759
93 HG LEU 11 HG LEU 11 24.264 10.533 13.015
94 HB2 LEU 11 1HB LEU 11 24.473 11.469 15.399
95 HB3 LEU 11 2HB LEU 11 25.465 12.733 14.701
96 HD11 LEU 11 1HD1 LEU 11 23.012 13.174 13.804
97 HD12 LEU 11 2HD1 LEU 11 22.455 12.160 12.452
98 HD13 LEU 11 3HD1 LEU 11 22.389 11.536 14.116
99 HD21 LEU 11 3HD2 LEU 11 24.506 12.251 11.219
100 HD22 LEU 11 1HD2 LEU 11 25.372 13.280 12.386
101 HD23 LEU 11 2HD2 LEU 11 26.045 11.700 11.920
102 H LYS 12 H LYS 12 26.266 10.021 17.166
103 HA LYS 12 HA LYS 12 27.947 11.997 18.268
104 HB2 LYS 12 1HB LYS 12 26.182 10.930 19.555
105 HB3 LYS 12 2HB LYS 12 26.936 9.360 19.368
106 HG2 LYS 12 1HG LYS 12 28.907 10.086 20.645
107 HG3 LYS 12 2HG LYS 12 28.312 11.734 20.707
108 HD2 LYS 12 1HD LYS 12 26.323 10.970 22.019
109 HD3 LYS 12 2HD LYS 12 26.911 9.320 21.953
110 HE2 LYS 12 1HE LYS 12 28.988 10.005 23.169
111 HE3 LYS 12 2HE LYS 12 28.410 11.659 23.228
112 HZ1 LYS 12 3HZ LYS 12 27.055 9.346 24.433
113 HZ2 LYS 12 1HZ LYS 12 27.899 10.486 25.241
114 HZ3 LYS 12 2HZ LYS 12 26.510 10.884 24.483
115 H LYS 13 H LYS 13 28.436 8.617 17.144
116 HA LYS 13 HA LYS 13 31.070 8.431 18.137
117 HB2 LYS 13 1HB LYS 13 29.617 6.493 17.640
118 HB3 LYS 13 2HB LYS 13 29.696 6.868 15.930
119 HG2 LYS 13 1HG LYS 13 32.144 6.543 15.924
120 HG3 LYS 13 2HG LYS 13 32.150 6.307 17.661
121 HD2 LYS 13 1HD LYS 13 30.697 4.282 17.387
122 HD3 LYS 13 2HD LYS 13 30.705 4.516 15.650
123 HE2 LYS 13 1HE LYS 13 33.185 4.244 15.610
124 HE3 LYS 13 2HE LYS 13 33.203 4.053 17.352
125 HZ1 LYS 13 3HZ LYS 13 31.820 2.106 17.094
126 HZ2 LYS 13 1HZ LYS 13 31.797 2.285 15.472
127 HZ3 LYS 13 2HZ LYS 13 33.199 1.941 16.235
128 H LEU 14 H LEU 14 29.613 9.498 15.030
129 HA LEU 14 HA LEU 14 32.017 9.741 13.629
130 HG LEU 14 HG LEU 14 31.320 12.229 11.994
131 HB2 LEU 14 1HB LEU 14 29.779 9.697 12.626
132 HB3 LEU 14 2HB LEU 14 29.424 11.263 13.329
133 HD11 LEU 14 1HD1 LEU 14 32.695 10.341 11.573
134 HD12 LEU 14 2HD1 LEU 14 31.359 9.447 10.810
135 HD13 LEU 14 3HD1 LEU 14 32.053 10.872 10.000
136 HD21 LEU 14 3HD2 LEU 14 30.083 12.280 9.878
137 HD22 LEU 14 1HD2 LEU 14 29.084 10.912 10.427
138 HD23 LEU 14 2HD2 LEU 14 29.002 12.472 11.279
139 H ARG 15 H ARG 15 30.118 12.154 15.562
140 HA ARG 15 HA ARG 15 31.777 14.265 15.193
141 HE ARG 15 HE ARG 15 28.093 17.077 15.456
142 HB2 ARG 15 1HB ARG 15 29.831 13.400 17.290
143 HB3 ARG 15 2HB ARG 15 30.978 14.614 17.819
144 HG2 ARG 15 1HG ARG 15 30.355 16.069 15.897
145 HG3 ARG 15 2HG ARG 15 29.246 14.845 15.312
146 HD2 ARG 15 1HD ARG 15 27.918 15.028 17.424
147 HD3 ARG 15 2HD ARG 15 29.034 16.237 18.026
148 HH11 ARG 15 1HH1 ARG 15 26.887 16.611 18.728
149 HH12 ARG 15 2HH1 ARG 15 25.698 17.864 18.605
150 HH21 ARG 15 1HH2 ARG 15 26.527 18.734 15.295
151 HH22 ARG 15 2HH2 ARG 15 25.483 19.071 16.635
152 H ASN 16 H ASN 16 31.868 11.781 17.853
153 HA ASN 16 HA ASN 16 33.924 12.863 19.259
154 HB2 ASN 16 1HB ASN 16 32.508 10.907 19.979
155 HB3 ASN 16 2HB ASN 16 33.330 9.888 18.813
156 HD21 ASN 16 1HD2 ASN 16 33.710 11.846 21.710
157 HD22 ASN 16 2HD2 ASN 16 35.124 11.069 22.338
158 H ALA 17 H ALA 17 33.943 10.518 16.492
159 HA ALA 17 HA ALA 17 36.692 9.947 16.640
160 HB1 ALA 17 3HB ALA 17 34.693 9.710 14.354
161 HB2 ALA 17 1HB ALA 17 36.298 8.942 14.401
162 HB3 ALA 17 2HB ALA 17 35.048 8.467 15.576
163 H LEU 18 H LEU 18 34.737 12.412 14.908
164 HA LEU 18 HA LEU 18 36.814 13.236 13.199
165 HG LEU 18 HG LEU 18 35.885 16.256 13.140
166 HB2 LEU 18 1HB LEU 18 34.472 13.608 12.714
167 HB3 LEU 18 2HB LEU 18 34.299 14.619 14.134
168 HD11 LEU 18 1HD1 LEU 18 37.224 14.907 11.712
169 HD12 LEU 18 2HD1 LEU 18 35.806 14.355 10.788
170 HD13 LEU 18 3HD1 LEU 18 36.338 16.049 10.672
171 HD21 LEU 18 3HD2 LEU 18 34.329 17.159 11.477
172 HD22 LEU 18 1HD2 LEU 18 33.470 15.600 11.429
173 HD23 LEU 18 2HD2 LEU 18 33.475 16.569 12.923
174 H LYS 19 H LYS 19 35.722 14.243 16.473
175 HA LYS 19 HA LYS 19 37.430 16.480 16.611
176 HB2 LYS 19 1HB LYS 19 35.392 16.161 17.985
177 HB3 LYS 19 2HB LYS 19 36.176 14.848 18.840
178 HG2 LYS 19 1HG LYS 19 37.938 16.370 19.660
179 HG3 LYS 19 2HG LYS 19 37.290 17.689 18.705
180 HD2 LYS 19 1HD LYS 19 35.150 17.575 20.002
181 HD3 LYS 19 2HD LYS 19 35.801 16.259 20.959
182 HE2 LYS 19 1HE LYS 19 37.644 17.749 21.761
183 HE3 LYS 19 2HE LYS 19 37.005 19.065 20.796
184 HZ1 LYS 19 3HZ LYS 19 36.243 19.184 23.056
185 HZ2 LYS 19 1HZ LYS 19 34.970 18.930 22.065
186 HZ3 LYS 19 2HZ LYS 19 35.564 17.702 22.964
187 H LYS 20 H LYS 20 37.791 12.996 17.326
188 HA LYS 20 HA LYS 20 40.234 13.254 18.705
189 HB2 LYS 20 1HB LYS 20 38.617 11.297 18.732
190 HB3 LYS 20 2HB LYS 20 39.242 10.846 17.159
191 HG2 LYS 20 1HG LYS 20 41.548 10.704 18.102
192 HG3 LYS 20 2HG LYS 20 40.945 11.190 19.673
193 HD2 LYS 20 1HD LYS 20 41.092 8.800 19.764
194 HD3 LYS 20 2HD LYS 20 39.385 9.153 19.594
195 HE2 LYS 20 1HE LYS 20 39.382 8.571 17.257
196 HE3 LYS 20 2HE LYS 20 41.131 8.621 17.159
197 HZ1 LYS 20 3HZ LYS 20 39.630 6.696 18.792
198 HZ2 LYS 20 1HZ LYS 20 40.236 6.376 17.310
199 HZ3 LYS 20 2HZ LYS 20 41.245 6.706 18.551
200 H LYS 21 H LYS 21 39.318 12.963 15.254
201 HA LYS 21 HA LYS 21 41.950 12.526 14.336
202 HB2 LYS 21 1HB LYS 21 39.368 13.392 13.039
203 HB3 LYS 21 2HB LYS 21 40.866 13.338 12.132
204 HG2 LYS 21 1HG LYS 21 41.164 10.952 12.661
205 HG3 LYS 21 2HG LYS 21 39.778 10.975 13.732
206 HD2 LYS 21 1HD LYS 21 38.282 11.514 11.816
207 HD3 LYS 21 2HD LYS 21 39.659 11.557 10.735
208 HE2 LYS 21 1HE LYS 21 40.143 9.147 11.289
209 HE3 LYS 21 2HE LYS 21 38.724 9.114 12.317
210 HZ1 LYS 21 3HZ LYS 21 38.235 8.294 10.131
211 HZ2 LYS 21 1HZ LYS 21 37.394 9.670 10.390
212 HZ3 LYS 21 2HZ LYS 21 38.718 9.689 9.434
213 H LEU 22 H LEU 22 39.932 15.446 14.924
214 HA LEU 22 HA LEU 22 41.781 17.202 13.696
215 HG LEU 22 HG LEU 22 39.038 16.915 13.121
216 HB2 LEU 22 1HB LEU 22 39.448 17.618 15.561
217 HB3 LEU 22 2HB LEU 22 40.398 18.937 14.906
218 HD11 LEU 22 1HD1 LEU 22 37.173 18.505 12.886
219 HD12 LEU 22 2HD1 LEU 22 37.304 17.853 14.536
220 HD13 LEU 22 3HD1 LEU 22 37.872 19.502 14.184
221 HD21 LEU 22 3HD2 LEU 22 40.109 19.712 12.675
222 HD22 LEU 22 1HD2 LEU 22 40.736 18.187 12.006
223 HD23 LEU 22 2HD2 LEU 22 39.147 18.798 11.488
224 H LYS 23 H LYS 23 41.344 15.842 16.960
225 HA LYS 23 HA LYS 23 43.154 17.635 18.208
226 HB2 LYS 23 1HB LYS 23 41.383 16.410 19.412
227 HB3 LYS 23 2HB LYS 23 42.182 14.890 19.060
228 HG2 LYS 23 1HG LYS 23 44.215 15.666 20.287
229 HG3 LYS 23 2HG LYS 23 43.433 17.197 20.626
230 HD2 LYS 23 1HD LYS 23 41.612 15.970 21.857
231 HD3 LYS 23 2HD LYS 23 42.449 14.459 21.559
232 HE2 LYS 23 1HE LYS 23 44.457 15.347 22.788
233 HE3 LYS 23 2HE LYS 23 43.586 16.833 23.114
234 HZ1 LYS 23 3HZ LYS 23 43.394 15.339 24.945
235 HZ2 LYS 23 1HZ LYS 23 41.920 15.505 24.263
236 HZ3 LYS 23 2HZ LYS 23 42.791 14.149 24.005
237 H GLY 24 H GLY 24 43.409 14.399 16.644
238 HA2 GLY 24 1HA GLY 24 45.252 13.346 15.838
239 HA3 GLY 24 2HA GLY 24 46.249 14.708 16.308
240 H GLU 25 H GLU 25 44.207 12.160 17.926
241 HA GLU 25 HA GLU 25 46.462 11.569 19.619
242 HB2 GLU 25 1HB GLU 25 45.253 13.369 20.828
243 HB3 GLU 25 2HB GLU 25 43.764 12.449 20.740
244 HG2 GLU 25 1HG GLU 25 44.725 10.651 22.115
245 HG3 GLU 25 2HG GLU 25 46.304 11.412 22.083
246 H LYS 26 H LYS 26 46.626 9.420 18.998
247 HA LYS 26 HA LYS 26 46.168 7.262 19.057
248 HB2 LYS 26 1HB LYS 26 44.076 8.093 21.091
249 HB3 LYS 26 2HB LYS 26 44.596 6.445 20.802
250 HG2 LYS 26 1HG LYS 26 46.929 7.045 21.410
251 HG3 LYS 26 2HG LYS 26 46.463 8.721 21.625
252 HD2 LYS 26 1HD LYS 26 44.894 8.056 23.454
253 HD3 LYS 26 2HD LYS 26 45.340 6.376 23.233
254 HE2 LYS 26 1HE LYS 26 47.706 6.915 23.818
255 HE3 LYS 26 2HE LYS 26 47.287 8.606 24.001
256 HZ1 LYS 26 3HZ LYS 26 47.285 7.465 26.100
257 HZ2 LYS 26 1HZ LYS 26 45.774 7.981 25.758
258 HZ3 LYS 26 2HZ LYS 26 46.157 6.403 25.584
Start of MODEL 17
1 HA SER 1 HA SER 1 14.532 2.268 7.484
2 HG SER 1 HG SER 1 14.354 1.372 10.965
3 H1 SER 1 1H SER 1 15.478 -0.261 6.788
4 HB2 SER 1 1HB SER 1 16.199 0.856 9.613
5 HB3 SER 1 2HB SER 1 15.829 2.568 9.613
6 H MET 2 H MET 2 16.224 3.906 7.189
7 HA MET 2 HA MET 2 18.337 2.951 5.547
8 HB2 MET 2 1HB MET 2 17.504 5.698 6.614
9 HB3 MET 2 2HB MET 2 18.910 5.498 5.589
10 HG2 MET 2 1HG MET 2 17.487 4.505 3.799
11 HG3 MET 2 2HG MET 2 16.076 4.636 4.829
12 HE1 MET 2 3HE MET 2 14.812 6.000 2.981
13 HE2 MET 2 1HE MET 2 15.475 7.446 2.183
14 HE3 MET 2 2HE MET 2 16.237 5.858 1.923
15 H TRP 3 H TRP 3 18.085 4.629 8.755
16 HA TRP 3 HA TRP 3 20.947 4.161 9.134
17 HD1 TRP 3 HD1 TRP 3 22.135 7.146 8.869
18 HE1 TRP 3 HE1 TRP 3 21.445 9.038 7.163
19 HE3 TRP 3 HE3 TRP 3 17.118 6.583 9.468
20 HZ2 TRP 3 HZ2 TRP 3 18.934 10.063 6.276
21 HZ3 TRP 3 HZ3 TRP 3 15.616 8.068 8.144
22 HH2 TRP 3 HH2 TRP 3 16.450 9.762 6.591
23 HB2 TRP 3 1HB TRP 3 19.088 5.838 10.821
24 HB3 TRP 3 2HB TRP 3 20.840 5.805 10.867
25 H SER 4 H SER 4 20.236 1.759 9.266
26 HA SER 4 HA SER 4 18.632 1.037 11.469
27 HG SER 4 HG SER 4 18.229 -1.427 11.369
28 HB2 SER 4 1HB SER 4 18.811 -0.320 9.386
29 HB3 SER 4 2HB SER 4 20.496 -0.649 9.739
30 H GLY 5 H GLY 5 19.311 -0.088 13.426
31 HA2 GLY 5 1HA GLY 5 20.766 -0.736 15.053
32 HA3 GLY 5 2HA GLY 5 22.123 -0.354 14.012
33 H MET 6 H MET 6 22.487 2.098 13.576
34 HA MET 6 HA MET 6 21.749 3.591 15.967
35 HB2 MET 6 1HB MET 6 24.492 3.448 14.596
36 HB3 MET 6 2HB MET 6 24.107 4.562 15.893
37 HG2 MET 6 1HG MET 6 23.522 2.563 17.357
38 HG3 MET 6 2HG MET 6 24.077 1.510 16.069
39 HE1 MET 6 3HE MET 6 27.061 1.178 18.491
40 HE2 MET 6 1HE MET 6 25.316 1.200 18.840
41 HE3 MET 6 2HE MET 6 25.926 0.336 17.410
42 H TRP 7 H TRP 7 21.750 5.970 15.685
43 HA TRP 7 HA TRP 7 22.322 6.908 12.994
44 HD1 TRP 7 HD1 TRP 7 22.156 8.990 12.017
45 HE1 TRP 7 HE1 TRP 7 21.120 10.740 10.336
46 HE3 TRP 7 HE3 TRP 7 17.305 7.744 12.892
47 HZ2 TRP 7 HZ2 TRP 7 18.447 11.393 9.578
48 HZ3 TRP 7 HZ3 TRP 7 15.543 8.986 11.640
49 HH2 TRP 7 HH2 TRP 7 16.049 10.756 10.031
50 HB2 TRP 7 1HB TRP 7 19.884 6.371 13.074
51 HB3 TRP 7 2HB TRP 7 19.703 7.546 14.360
52 H ARG 8 H ARG 8 20.882 7.978 16.168
53 HA ARG 8 HA ARG 8 22.292 10.397 16.071
54 HE ARG 8 HE ARG 8 17.609 11.544 16.562
55 HB2 ARG 8 1HB ARG 8 20.800 8.959 18.316
56 HB3 ARG 8 2HB ARG 8 21.496 10.554 18.522
57 HG2 ARG 8 1HG ARG 8 20.120 11.397 16.603
58 HG3 ARG 8 2HG ARG 8 19.418 9.803 16.410
59 HD2 ARG 8 1HD ARG 8 18.502 9.927 18.742
60 HD3 ARG 8 2HD ARG 8 19.200 11.524 18.930
61 HH11 ARG 8 1HH1 ARG 8 17.212 11.294 20.049
62 HH12 ARG 8 2HH1 ARG 8 15.619 11.975 20.045
63 HH21 ARG 8 1HH2 ARG 8 15.507 12.441 16.555
64 HH22 ARG 8 2HH2 ARG 8 14.644 12.635 18.045
65 H ARG 9 H ARG 9 22.785 7.204 17.643
66 HA ARG 9 HA ARG 9 25.011 8.050 19.133
67 HE ARG 9 HE ARG 9 22.098 5.753 22.252
68 HB2 ARG 9 1HB ARG 9 24.023 5.296 18.253
69 HB3 ARG 9 2HB ARG 9 25.427 5.503 19.280
70 HG2 ARG 9 1HG ARG 9 24.031 6.721 20.956
71 HG3 ARG 9 2HG ARG 9 22.625 6.541 19.925
72 HD2 ARG 9 1HD ARG 9 22.841 4.042 20.082
73 HD3 ARG 9 2HD ARG 9 24.232 4.234 21.131
74 HH11 ARG 9 1HH1 ARG 9 22.949 2.392 21.651
75 HH12 ARG 9 2HH1 ARG 9 21.997 1.783 22.963
76 HH21 ARG 9 1HH2 ARG 9 20.844 4.951 23.986
77 HH22 ARG 9 2HH2 ARG 9 20.797 3.249 24.304
78 H LYS 10 H LYS 10 24.439 6.995 15.810
79 HA LYS 10 HA LYS 10 27.148 6.359 15.227
80 HB2 LYS 10 1HB LYS 10 24.726 5.955 13.994
81 HB3 LYS 10 2HB LYS 10 25.412 7.231 13.009
82 HG2 LYS 10 1HG LYS 10 26.906 4.672 13.753
83 HG3 LYS 10 2HG LYS 10 26.018 4.880 12.257
84 HD2 LYS 10 1HD LYS 10 27.472 6.990 11.857
85 HD3 LYS 10 2HD LYS 10 28.471 6.431 13.184
86 HE2 LYS 10 1HE LYS 10 29.563 5.468 11.341
87 HE3 LYS 10 2HE LYS 10 28.540 4.146 11.868
88 HZ1 LYS 10 3HZ LYS 10 26.927 4.805 10.224
89 HZ2 LYS 10 1HZ LYS 10 27.856 6.060 9.743
90 HZ3 LYS 10 2HZ LYS 10 28.368 4.526 9.510
91 H LEU 11 H LEU 11 25.073 9.292 15.028
92 HA LEU 11 HA LEU 11 27.053 10.839 13.720
93 HG LEU 11 HG LEU 11 24.445 10.469 12.845
94 HB2 LEU 11 1HB LEU 11 24.519 11.504 15.207
95 HB3 LEU 11 2HB LEU 11 25.551 12.735 14.507
96 HD11 LEU 11 1HD1 LEU 11 22.612 11.973 12.166
97 HD12 LEU 11 2HD1 LEU 11 22.526 11.520 13.885
98 HD13 LEU 11 3HD1 LEU 11 23.118 13.132 13.419
99 HD21 LEU 11 3HD2 LEU 11 25.543 13.214 12.191
100 HD22 LEU 11 1HD2 LEU 11 26.253 11.630 11.794
101 HD23 LEU 11 2HD2 LEU 11 24.739 12.148 11.014
102 H LYS 12 H LYS 12 26.269 10.035 17.101
103 HA LYS 12 HA LYS 12 27.944 11.996 18.248
104 HB2 LYS 12 1HB LYS 12 26.111 10.834 19.438
105 HB3 LYS 12 2HB LYS 12 27.010 9.332 19.357
106 HG2 LYS 12 1HG LYS 12 28.872 10.351 20.654
107 HG3 LYS 12 2HG LYS 12 28.028 11.885 20.692
108 HD2 LYS 12 1HD LYS 12 26.142 10.823 21.943
109 HD3 LYS 12 2HD LYS 12 26.974 9.281 21.896
110 HE2 LYS 12 1HE LYS 12 28.886 10.274 23.174
111 HE3 LYS 12 2HE LYS 12 28.056 11.816 23.219
112 HZ1 LYS 12 3HZ LYS 12 26.265 10.750 24.416
113 HZ2 LYS 12 1HZ LYS 12 27.039 9.313 24.375
114 HZ3 LYS 12 2HZ LYS 12 27.677 10.560 25.213
115 H LYS 13 H LYS 13 28.424 8.597 17.149
116 HA LYS 13 HA LYS 13 31.058 8.405 18.111
117 HB2 LYS 13 1HB LYS 13 29.615 6.475 17.575
118 HB3 LYS 13 2HB LYS 13 29.675 6.892 15.874
119 HG2 LYS 13 1HG LYS 13 32.126 6.576 15.837
120 HG3 LYS 13 2HG LYS 13 32.147 6.292 17.567
121 HD2 LYS 13 1HD LYS 13 30.701 4.272 17.251
122 HD3 LYS 13 2HD LYS 13 30.685 4.554 15.521
123 HE2 LYS 13 1HE LYS 13 33.171 4.302 15.449
124 HE3 LYS 13 2HE LYS 13 33.201 4.041 17.182
125 HZ1 LYS 13 3HZ LYS 13 33.195 1.975 15.983
126 HZ2 LYS 13 1HZ LYS 13 31.819 2.103 16.853
127 HZ3 LYS 13 2HZ LYS 13 31.788 2.346 15.239
128 H LEU 14 H LEU 14 29.600 9.567 15.041
129 HA LEU 14 HA LEU 14 32.014 9.804 13.642
130 HG LEU 14 HG LEU 14 31.436 12.172 11.951
131 HB2 LEU 14 1HB LEU 14 29.734 9.775 12.672
132 HB3 LEU 14 2HB LEU 14 29.455 11.378 13.324
133 HD11 LEU 14 1HD1 LEU 14 31.980 10.741 9.957
134 HD12 LEU 14 2HD1 LEU 14 32.594 10.138 11.516
135 HD13 LEU 14 3HD1 LEU 14 31.152 9.397 10.780
136 HD21 LEU 14 3HD2 LEU 14 30.136 12.316 9.871
137 HD22 LEU 14 1HD2 LEU 14 29.023 11.071 10.485
138 HD23 LEU 14 2HD2 LEU 14 29.138 12.644 11.308
139 H ARG 15 H ARG 15 30.118 12.173 15.624
140 HA ARG 15 HA ARG 15 31.764 14.301 15.299
141 HE ARG 15 HE ARG 15 28.061 17.075 15.684
142 HB2 ARG 15 1HB ARG 15 29.849 13.366 17.393
143 HB3 ARG 15 2HB ARG 15 30.997 14.570 17.944
144 HG2 ARG 15 1HG ARG 15 30.342 16.084 16.087
145 HG3 ARG 15 2HG ARG 15 29.245 14.870 15.458
146 HD2 ARG 15 1HD ARG 15 27.933 14.955 17.595
147 HD3 ARG 15 2HD ARG 15 29.025 16.178 18.215
148 HH11 ARG 15 1HH1 ARG 15 26.866 16.472 18.938
149 HH12 ARG 15 2HH1 ARG 15 25.599 17.647 18.829
150 HH21 ARG 15 1HH2 ARG 15 26.388 18.624 15.538
151 HH22 ARG 15 2HH2 ARG 15 25.326 18.881 16.882
152 H ASN 16 H ASN 16 31.895 11.747 17.890
153 HA ASN 16 HA ASN 16 33.966 12.804 19.296
154 HB2 ASN 16 1HB ASN 16 32.557 10.835 19.994
155 HB3 ASN 16 2HB ASN 16 33.366 9.839 18.800
156 HD21 ASN 16 1HD2 ASN 16 33.791 11.755 21.720
157 HD22 ASN 16 2HD2 ASN 16 35.209 10.963 22.320
158 H ALA 17 H ALA 17 33.952 10.511 16.487
159 HA ALA 17 HA ALA 17 36.701 9.942 16.576
160 HB1 ALA 17 3HB ALA 17 35.042 8.494 15.490
161 HB2 ALA 17 1HB ALA 17 34.673 9.774 14.310
162 HB3 ALA 17 2HB ALA 17 36.277 9.003 14.315
163 H LEU 18 H LEU 18 34.726 12.453 14.935
164 HA LEU 18 HA LEU 18 36.786 13.325 13.229
165 HG LEU 18 HG LEU 18 35.849 16.348 13.279
166 HB2 LEU 18 1HB LEU 18 34.445 13.710 12.768
167 HB3 LEU 18 2HB LEU 18 34.271 14.670 14.223
168 HD11 LEU 18 1HD1 LEU 18 36.287 16.232 10.803
169 HD12 LEU 18 2HD1 LEU 18 37.179 15.051 11.792
170 HD13 LEU 18 3HD1 LEU 18 35.754 14.535 10.858
171 HD21 LEU 18 3HD2 LEU 18 33.437 16.661 13.092
172 HD22 LEU 18 1HD2 LEU 18 34.277 17.303 11.660
173 HD23 LEU 18 2HD2 LEU 18 33.422 15.744 11.566
174 H LYS 19 H LYS 19 35.751 14.201 16.554
175 HA LYS 19 HA LYS 19 37.442 16.466 16.708
176 HB2 LYS 19 1HB LYS 19 35.395 16.143 18.067
177 HB3 LYS 19 2HB LYS 19 36.169 14.819 18.915
178 HG2 LYS 19 1HG LYS 19 37.938 16.333 19.750
179 HG3 LYS 19 2HG LYS 19 37.284 17.662 18.812
180 HD2 LYS 19 1HD LYS 19 35.149 17.532 20.111
181 HD3 LYS 19 2HD LYS 19 35.796 16.198 21.045
182 HE2 LYS 19 1HE LYS 19 37.644 17.668 21.873
183 HE3 LYS 19 2HE LYS 19 37.007 19.003 20.932
184 HZ1 LYS 19 3HZ LYS 19 34.972 18.850 22.199
185 HZ2 LYS 19 1HZ LYS 19 35.562 17.604 23.075
186 HZ3 LYS 19 2HZ LYS 19 36.245 19.082 23.195
187 H LYS 20 H LYS 20 37.798 12.973 17.355
188 HA LYS 20 HA LYS 20 40.227 13.216 18.773
189 HB2 LYS 20 1HB LYS 20 38.600 11.267 18.784
190 HB3 LYS 20 2HB LYS 20 39.235 10.818 17.215
191 HG2 LYS 20 1HG LYS 20 41.532 10.662 18.174
192 HG3 LYS 20 2HG LYS 20 40.920 11.147 19.742
193 HD2 LYS 20 1HD LYS 20 39.431 9.127 19.777
194 HD3 LYS 20 2HD LYS 20 40.069 8.637 18.220
195 HE2 LYS 20 1HE LYS 20 42.345 8.431 19.170
196 HE3 LYS 20 2HE LYS 20 41.787 9.040 20.716
197 HZ1 LYS 20 3HZ LYS 20 40.365 7.139 20.915
198 HZ2 LYS 20 1HZ LYS 20 40.791 6.587 19.438
199 HZ3 LYS 20 2HZ LYS 20 41.894 6.634 20.642
200 H LYS 21 H LYS 21 39.333 12.926 15.315
201 HA LYS 21 HA LYS 21 42.021 12.521 14.472
202 HB2 LYS 21 1HB LYS 21 39.429 13.152 13.052
203 HB3 LYS 21 2HB LYS 21 40.956 13.070 12.197
204 HG2 LYS 21 1HG LYS 21 41.317 10.752 12.964
205 HG3 LYS 21 2HG LYS 21 39.879 10.823 13.963
206 HD2 LYS 21 1HD LYS 21 38.466 11.142 11.935
207 HD3 LYS 21 2HD LYS 21 39.896 11.122 10.921
208 HE2 LYS 21 1HE LYS 21 40.407 8.789 11.749
209 HE3 LYS 21 2HE LYS 21 38.919 8.816 12.675
210 HZ1 LYS 21 3HZ LYS 21 37.720 9.149 10.616
211 HZ2 LYS 21 1HZ LYS 21 39.108 9.109 9.758
212 HZ3 LYS 21 2HZ LYS 21 38.600 7.776 10.554
213 H LEU 22 H LEU 22 39.861 15.315 15.012
214 HA LEU 22 HA LEU 22 41.527 17.180 13.699
215 HG LEU 22 HG LEU 22 40.856 19.555 15.552
216 HB2 LEU 22 1HB LEU 22 39.151 17.536 14.071
217 HB3 LEU 22 2HB LEU 22 39.390 17.521 15.807
218 HD11 LEU 22 1HD1 LEU 22 40.540 20.876 13.444
219 HD12 LEU 22 2HD1 LEU 22 41.527 19.406 13.267
220 HD13 LEU 22 3HD1 LEU 22 39.838 19.417 12.705
221 HD21 LEU 22 3HD2 LEU 22 38.553 19.726 16.323
222 HD22 LEU 22 1HD2 LEU 22 38.978 21.116 15.297
223 HD23 LEU 22 2HD2 LEU 22 37.975 19.799 14.641
224 H LYS 23 H LYS 23 41.291 15.914 17.053
225 HA LYS 23 HA LYS 23 43.256 17.657 18.091
226 HB2 LYS 23 1HB LYS 23 41.658 16.579 19.545
227 HB3 LYS 23 2HB LYS 23 42.177 14.987 19.031
228 HG2 LYS 23 1HG LYS 23 44.411 15.339 20.009
229 HG3 LYS 23 2HG LYS 23 44.020 17.003 20.397
230 HD2 LYS 23 1HD LYS 23 42.296 16.291 21.994
231 HD3 LYS 23 2HD LYS 23 42.473 14.616 21.509
232 HE2 LYS 23 1HE LYS 23 44.856 14.652 22.317
233 HE3 LYS 23 2HE LYS 23 44.645 16.311 22.835
234 HZ1 LYS 23 3HZ LYS 23 44.283 14.806 24.639
235 HZ2 LYS 23 1HZ LYS 23 42.874 15.556 24.290
236 HZ3 LYS 23 2HZ LYS 23 43.112 14.009 23.826
237 H GLY 24 H GLY 24 43.309 14.449 16.476
238 HA2 GLY 24 1HA GLY 24 45.058 13.325 15.568
239 HA3 GLY 24 2HA GLY 24 46.134 14.642 15.990
240 H GLU 25 H GLU 25 43.948 12.675 18.114
241 HA GLU 25 HA GLU 25 45.960 12.635 20.080
242 HB2 GLU 25 1HB GLU 25 43.466 12.695 20.505
243 HB3 GLU 25 2HB GLU 25 43.371 11.027 19.973
244 HG2 GLU 25 1HG GLU 25 44.897 10.317 21.781
245 HG3 GLU 25 2HG GLU 25 45.148 11.981 22.268
246 H LYS 26 H LYS 26 44.392 10.055 18.054
247 HA LYS 26 HA LYS 26 46.834 8.633 17.832
248 HB2 LYS 26 1HB LYS 26 46.260 8.079 20.182
249 HB3 LYS 26 2HB LYS 26 44.732 7.412 19.646
250 HG2 LYS 26 1HG LYS 26 45.882 5.715 18.285
251 HG3 LYS 26 2HG LYS 26 47.440 6.441 18.624
252 HD2 LYS 26 1HD LYS 26 47.140 5.950 21.061
253 HD3 LYS 26 2HD LYS 26 45.584 5.219 20.722
254 HE2 LYS 26 1HE LYS 26 46.690 3.520 19.260
255 HE3 LYS 26 2HE LYS 26 48.249 4.256 19.573
256 HZ1 LYS 26 3HZ LYS 26 47.849 2.401 21.022
257 HZ2 LYS 26 1HZ LYS 26 47.944 3.770 21.907
258 HZ3 LYS 26 2HZ LYS 26 46.490 3.086 21.617
Start of MODEL 18
1 HA SER 1 HA SER 1 12.481 11.006 9.999
2 HG SER 1 HG SER 1 14.320 9.603 13.072
3 H1 SER 1 1H SER 1 11.122 10.629 12.528
4 HB2 SER 1 1HB SER 1 14.682 10.455 11.085
5 HB3 SER 1 2HB SER 1 14.028 12.006 11.575
6 H MET 2 H MET 2 13.599 8.949 9.276
7 HA MET 2 HA MET 2 11.912 6.758 9.874
8 HB2 MET 2 1HB MET 2 14.431 7.123 8.169
9 HB3 MET 2 2HB MET 2 13.583 5.592 8.253
10 HG2 MET 2 1HG MET 2 11.503 6.672 7.411
11 HG3 MET 2 2HG MET 2 12.304 8.231 7.383
12 HE1 MET 2 3HE MET 2 10.857 6.978 4.877
13 HE2 MET 2 1HE MET 2 11.692 8.551 4.856
14 HE3 MET 2 2HE MET 2 12.031 7.346 3.590
15 H TRP 3 H TRP 3 15.248 7.765 10.713
16 HA TRP 3 HA TRP 3 15.554 5.251 12.204
17 HD1 TRP 3 HD1 TRP 3 17.389 3.539 10.021
18 HE1 TRP 3 HE1 TRP 3 17.270 3.539 7.385
19 HE3 TRP 3 HE3 TRP 3 17.050 8.588 9.513
20 HZ2 TRP 3 HZ2 TRP 3 17.053 5.605 5.426
21 HZ3 TRP 3 HZ3 TRP 3 16.888 9.514 7.205
22 HH2 TRP 3 HH2 TRP 3 16.886 8.111 5.203
23 HB2 TRP 3 1HB TRP 3 17.801 7.088 11.413
24 HB3 TRP 3 2HB TRP 3 17.877 5.412 11.921
25 H SER 4 H SER 4 16.510 5.441 14.380
26 HA SER 4 HA SER 4 16.908 8.035 15.440
27 HG SER 4 HG SER 4 14.164 5.676 15.615
28 HB2 SER 4 1HB SER 4 15.161 7.880 17.213
29 HB3 SER 4 2HB SER 4 14.471 8.010 15.608
30 H GLY 5 H GLY 5 17.788 7.910 17.693
31 HA2 GLY 5 1HA GLY 5 18.763 6.890 19.463
32 HA3 GLY 5 2HA GLY 5 18.096 5.353 18.949
33 H MET 6 H MET 6 19.166 4.242 17.035
34 HA MET 6 HA MET 6 21.882 4.043 17.529
35 HB2 MET 6 1HB MET 6 20.075 3.145 15.228
36 HB3 MET 6 2HB MET 6 21.774 2.719 15.266
37 HG2 MET 6 1HG MET 6 21.450 1.627 17.499
38 HG3 MET 6 2HG MET 6 19.750 2.052 17.462
39 HE1 MET 6 3HE MET 6 19.092 -0.468 17.798
40 HE2 MET 6 1HE MET 6 19.701 -1.798 16.784
41 HE3 MET 6 2HE MET 6 20.819 -0.902 17.840
42 H TRP 7 H TRP 7 20.010 5.936 15.140
43 HA TRP 7 HA TRP 7 22.165 6.550 13.445
44 HD1 TRP 7 HD1 TRP 7 22.818 8.079 11.899
45 HE1 TRP 7 HE1 TRP 7 22.817 10.000 10.089
46 HE3 TRP 7 HE3 TRP 7 17.930 9.350 12.489
47 HZ2 TRP 7 HZ2 TRP 7 20.817 11.794 9.129
48 HZ3 TRP 7 HZ3 TRP 7 17.032 11.196 11.077
49 HH2 TRP 7 HH2 TRP 7 18.390 12.404 9.442
50 HB2 TRP 7 1HB TRP 7 19.793 6.737 12.825
51 HB3 TRP 7 2HB TRP 7 19.597 8.065 13.951
52 H ARG 8 H ARG 8 20.755 8.054 16.406
53 HA ARG 8 HA ARG 8 22.251 10.397 16.162
54 HE ARG 8 HE ARG 8 17.768 11.963 16.848
55 HB2 ARG 8 1HB ARG 8 20.800 9.089 18.510
56 HB3 ARG 8 2HB ARG 8 21.591 10.646 18.662
57 HG2 ARG 8 1HG ARG 8 20.194 11.520 16.759
58 HG3 ARG 8 2HG ARG 8 19.376 9.973 16.667
59 HD2 ARG 8 1HD ARG 8 18.534 10.239 18.984
60 HD3 ARG 8 2HD ARG 8 19.429 11.734 19.166
61 HH11 ARG 8 1HH1 ARG 8 17.460 11.732 20.346
62 HH12 ARG 8 2HH1 ARG 8 15.994 12.651 20.406
63 HH21 ARG 8 1HH2 ARG 8 15.840 13.187 16.928
64 HH22 ARG 8 2HH2 ARG 8 15.062 13.480 18.448
65 H ARG 9 H ARG 9 22.749 7.239 17.788
66 HA ARG 9 HA ARG 9 24.982 8.054 19.256
67 HE ARG 9 HE ARG 9 22.502 5.684 22.574
68 HB2 ARG 9 1HB ARG 9 23.911 5.354 18.341
69 HB3 ARG 9 2HB ARG 9 25.426 5.458 19.217
70 HG2 ARG 9 1HG ARG 9 24.264 6.657 21.084
71 HG3 ARG 9 2HG ARG 9 22.748 6.548 20.209
72 HD2 ARG 9 1HD ARG 9 22.869 4.059 20.271
73 HD3 ARG 9 2HD ARG 9 24.413 4.140 21.095
74 HH11 ARG 9 1HH1 ARG 9 23.235 2.334 21.782
75 HH12 ARG 9 2HH1 ARG 9 22.561 1.707 23.249
76 HH21 ARG 9 1HH2 ARG 9 21.600 4.855 24.504
77 HH22 ARG 9 2HH2 ARG 9 21.612 3.148 24.800
78 H LYS 10 H LYS 10 24.442 6.841 15.940
79 HA LYS 10 HA LYS 10 27.163 6.289 15.386
80 HB2 LYS 10 1HB LYS 10 24.631 6.537 13.805
81 HB3 LYS 10 2HB LYS 10 26.158 6.586 12.948
82 HG2 LYS 10 1HG LYS 10 26.833 4.423 13.924
83 HG3 LYS 10 2HG LYS 10 25.400 4.391 14.933
84 HD2 LYS 10 1HD LYS 10 23.957 4.332 12.893
85 HD3 LYS 10 2HD LYS 10 25.384 4.380 11.877
86 HE2 LYS 10 1HE LYS 10 26.176 2.229 12.938
87 HE3 LYS 10 2HE LYS 10 24.696 2.172 13.875
88 HZ1 LYS 10 3HZ LYS 10 23.464 2.133 11.808
89 HZ2 LYS 10 1HZ LYS 10 24.847 2.173 10.940
90 HZ3 LYS 10 2HZ LYS 10 24.510 0.881 11.879
91 H LEU 11 H LEU 11 25.029 9.162 15.095
92 HA LEU 11 HA LEU 11 26.935 10.708 13.690
93 HG LEU 11 HG LEU 11 24.273 10.282 12.942
94 HB2 LEU 11 1HB LEU 11 24.450 11.369 15.261
95 HB3 LEU 11 2HB LEU 11 25.434 12.600 14.495
96 HD11 LEU 11 1HD1 LEU 11 22.995 12.961 13.541
97 HD12 LEU 11 2HD1 LEU 11 22.463 11.859 12.249
98 HD13 LEU 11 3HD1 LEU 11 22.379 11.342 13.951
99 HD21 LEU 11 3HD2 LEU 11 24.525 11.884 11.041
100 HD22 LEU 11 1HD2 LEU 11 25.377 12.988 12.148
101 HD23 LEU 11 2HD2 LEU 11 26.059 11.383 11.790
102 H LYS 12 H LYS 12 26.218 10.070 17.138
103 HA LYS 12 HA LYS 12 27.907 12.078 18.152
104 HB2 LYS 12 1HB LYS 12 26.106 10.958 19.430
105 HB3 LYS 12 2HB LYS 12 27.021 9.464 19.409
106 HG2 LYS 12 1HG LYS 12 28.890 10.561 20.625
107 HG3 LYS 12 2HG LYS 12 28.036 12.090 20.595
108 HD2 LYS 12 1HD LYS 12 26.174 11.078 21.926
109 HD3 LYS 12 2HD LYS 12 27.023 9.546 21.952
110 HE2 LYS 12 1HE LYS 12 28.941 10.628 23.147
111 HE3 LYS 12 2HE LYS 12 28.093 12.161 23.120
112 HZ1 LYS 12 3HZ LYS 12 27.756 11.011 25.184
113 HZ2 LYS 12 1HZ LYS 12 26.331 11.142 24.398
114 HZ3 LYS 12 2HZ LYS 12 27.121 9.713 24.423
115 H LYS 13 H LYS 13 28.411 8.660 17.156
116 HA LYS 13 HA LYS 13 31.054 8.514 18.112
117 HB2 LYS 13 1HB LYS 13 29.621 6.557 17.648
118 HB3 LYS 13 2HB LYS 13 29.669 6.920 15.935
119 HG2 LYS 13 1HG LYS 13 32.132 6.638 15.909
120 HG3 LYS 13 2HG LYS 13 32.144 6.375 17.642
121 HD2 LYS 13 1HD LYS 13 30.718 4.340 17.345
122 HD3 LYS 13 2HD LYS 13 30.699 4.605 15.612
123 HE2 LYS 13 1HE LYS 13 33.191 4.375 15.547
124 HE3 LYS 13 2HE LYS 13 33.215 4.118 17.281
125 HZ1 LYS 13 3HZ LYS 13 31.845 2.171 16.951
126 HZ2 LYS 13 1HZ LYS 13 31.822 2.411 15.336
127 HZ3 LYS 13 2HZ LYS 13 33.226 2.049 16.087
128 H LEU 14 H LEU 14 29.562 9.575 15.024
129 HA LEU 14 HA LEU 14 31.939 9.810 13.583
130 HG LEU 14 HG LEU 14 31.348 12.173 11.891
131 HB2 LEU 14 1HB LEU 14 29.629 9.807 12.675
132 HB3 LEU 14 2HB LEU 14 29.396 11.420 13.322
133 HD11 LEU 14 1HD1 LEU 14 31.823 10.711 9.898
134 HD12 LEU 14 2HD1 LEU 14 32.479 10.129 11.447
135 HD13 LEU 14 3HD1 LEU 14 31.012 9.385 10.764
136 HD21 LEU 14 3HD2 LEU 14 29.039 12.662 11.295
137 HD22 LEU 14 1HD2 LEU 14 30.003 12.312 9.841
138 HD23 LEU 14 2HD2 LEU 14 28.892 11.082 10.490
139 H ARG 15 H ARG 15 30.106 12.220 15.579
140 HA ARG 15 HA ARG 15 31.793 14.313 15.236
141 HE ARG 15 HE ARG 15 29.887 18.405 18.130
142 HB2 ARG 15 1HB ARG 15 29.574 13.762 16.813
143 HB3 ARG 15 2HB ARG 15 30.818 13.954 18.033
144 HG2 ARG 15 1HG ARG 15 31.454 16.164 17.005
145 HG3 ARG 15 2HG ARG 15 30.162 15.975 15.836
146 HD2 ARG 15 1HD ARG 15 28.511 15.825 17.759
147 HD3 ARG 15 2HD ARG 15 29.826 16.156 18.869
148 HH11 ARG 15 1HH1 ARG 15 27.964 16.506 15.883
149 HH12 ARG 15 2HH1 ARG 15 27.107 17.874 15.255
150 HH21 ARG 15 1HH2 ARG 15 28.788 20.223 17.272
151 HH22 ARG 15 2HH2 ARG 15 27.651 20.012 15.983
152 H ASN 16 H ASN 16 31.904 11.736 17.805
153 HA ASN 16 HA ASN 16 33.982 12.782 19.219
154 HB2 ASN 16 1HB ASN 16 32.538 10.827 19.909
155 HB3 ASN 16 2HB ASN 16 33.361 9.818 18.736
156 HD21 ASN 16 1HD2 ASN 16 33.710 11.710 21.673
157 HD22 ASN 16 2HD2 ASN 16 35.132 10.937 22.289
158 H ALA 17 H ALA 17 33.931 10.538 16.378
159 HA ALA 17 HA ALA 17 36.678 9.911 16.486
160 HB1 ALA 17 3HB ALA 17 36.239 8.957 14.235
161 HB2 ALA 17 1HB ALA 17 34.997 8.475 15.416
162 HB3 ALA 17 2HB ALA 17 34.645 9.750 14.223
163 H LEU 18 H LEU 18 34.726 12.446 14.861
164 HA LEU 18 HA LEU 18 36.782 13.330 13.161
165 HG LEU 18 HG LEU 18 35.892 16.372 13.319
166 HB2 LEU 18 1HB LEU 18 34.448 13.772 12.734
167 HB3 LEU 18 2HB LEU 18 34.302 14.687 14.221
168 HD11 LEU 18 1HD1 LEU 18 36.322 16.329 10.841
169 HD12 LEU 18 2HD1 LEU 18 37.200 15.105 11.789
170 HD13 LEU 18 3HD1 LEU 18 35.766 14.637 10.844
171 HD21 LEU 18 3HD2 LEU 18 33.453 15.853 11.597
172 HD22 LEU 18 1HD2 LEU 18 33.483 16.720 13.151
173 HD23 LEU 18 2HD2 LEU 18 34.327 17.397 11.738
174 H LYS 19 H LYS 19 35.771 14.187 16.505
175 HA LYS 19 HA LYS 19 37.541 16.382 16.700
176 HB2 LYS 19 1HB LYS 19 36.021 14.739 18.735
177 HB3 LYS 19 2HB LYS 19 37.049 16.085 19.185
178 HG2 LYS 19 1HG LYS 19 35.732 17.626 17.781
179 HG3 LYS 19 2HG LYS 19 34.770 16.300 17.162
180 HD2 LYS 19 1HD LYS 19 33.402 17.219 18.866
181 HD3 LYS 19 2HD LYS 19 34.129 15.824 19.638
182 HE2 LYS 19 1HE LYS 19 35.863 17.277 20.679
183 HE3 LYS 19 2HE LYS 19 35.195 18.679 19.868
184 HZ1 LYS 19 3HZ LYS 19 34.376 18.488 22.102
185 HZ2 LYS 19 1HZ LYS 19 33.137 18.312 21.053
186 HZ3 LYS 19 2HZ LYS 19 33.759 17.005 21.809
187 H LYS 20 H LYS 20 37.786 12.868 17.278
188 HA LYS 20 HA LYS 20 40.223 12.920 18.648
189 HB2 LYS 20 1HB LYS 20 38.582 11.000 18.409
190 HB3 LYS 20 2HB LYS 20 39.227 10.738 16.801
191 HG2 LYS 20 1HG LYS 20 41.529 10.489 17.783
192 HG3 LYS 20 2HG LYS 20 40.857 10.708 19.387
193 HD2 LYS 20 1HD LYS 20 39.432 8.689 19.087
194 HD3 LYS 20 2HD LYS 20 40.045 8.481 17.458
195 HE2 LYS 20 1HE LYS 20 42.354 8.174 18.348
196 HE3 LYS 20 2HE LYS 20 41.771 8.427 19.981
197 HZ1 LYS 20 3HZ LYS 20 40.374 6.495 19.727
198 HZ2 LYS 20 1HZ LYS 20 40.895 6.263 18.195
199 HZ3 LYS 20 2HZ LYS 20 41.933 6.101 19.444
200 H LYS 21 H LYS 21 39.369 13.008 15.161
201 HA LYS 21 HA LYS 21 42.036 12.584 14.301
202 HB2 LYS 21 1HB LYS 21 39.499 13.499 12.939
203 HB3 LYS 21 2HB LYS 21 41.028 13.415 12.089
204 HG2 LYS 21 1HG LYS 21 41.245 11.020 12.583
205 HG3 LYS 21 2HG LYS 21 39.840 11.062 13.630
206 HD2 LYS 21 1HD LYS 21 38.397 11.674 11.688
207 HD3 LYS 21 2HD LYS 21 39.798 11.669 10.635
208 HE2 LYS 21 1HE LYS 21 40.182 9.243 11.186
209 HE3 LYS 21 2HE LYS 21 38.748 9.258 12.194
210 HZ1 LYS 21 3HZ LYS 21 38.262 8.459 9.999
211 HZ2 LYS 21 1HZ LYS 21 37.466 9.863 10.252
212 HZ3 LYS 21 2HZ LYS 21 38.802 9.840 9.314
213 H LEU 22 H LEU 22 39.958 15.467 14.892
214 HA LEU 22 HA LEU 22 41.775 17.262 13.689
215 HG LEU 22 HG LEU 22 38.993 16.913 13.147
216 HB2 LEU 22 1HB LEU 22 39.435 17.624 15.555
217 HB3 LEU 22 2HB LEU 22 40.356 18.966 14.902
218 HD11 LEU 22 1HD1 LEU 22 37.294 17.951 14.552
219 HD12 LEU 22 2HD1 LEU 22 37.888 19.569 14.103
220 HD13 LEU 22 3HD1 LEU 22 37.157 18.514 12.868
221 HD21 LEU 22 3HD2 LEU 22 40.689 18.081 11.957
222 HD22 LEU 22 1HD2 LEU 22 39.130 18.793 11.477
223 HD23 LEU 22 2HD2 LEU 22 40.181 19.648 12.632
224 H LYS 23 H LYS 23 41.268 16.020 17.014
225 HA LYS 23 HA LYS 23 43.119 17.851 18.166
226 HB2 LYS 23 1HB LYS 23 41.251 16.875 19.428
227 HB3 LYS 23 2HB LYS 23 41.928 15.272 19.229
228 HG2 LYS 23 1HG LYS 23 43.931 15.887 20.505
229 HG3 LYS 23 2HG LYS 23 43.436 17.567 20.562
230 HD2 LYS 23 1HD LYS 23 41.520 17.042 21.976
231 HD3 LYS 23 2HD LYS 23 41.748 15.320 21.747
232 HE2 LYS 23 1HE LYS 23 42.659 15.872 23.923
233 HE3 LYS 23 2HE LYS 23 44.018 15.525 22.871
234 HZ1 LYS 23 3HZ LYS 23 44.236 17.569 24.201
235 HZ2 LYS 23 1HZ LYS 23 44.401 17.824 22.596
236 HZ3 LYS 23 2HZ LYS 23 43.014 18.243 23.351
237 H GLY 24 H GLY 24 43.248 14.578 16.735
238 HA2 GLY 24 1HA GLY 24 45.062 13.379 16.074
239 HA3 GLY 24 2HA GLY 24 46.123 14.653 16.643
240 H GLU 25 H GLU 25 43.559 13.045 18.596
241 HA GLU 25 HA GLU 25 45.559 12.556 20.584
242 HB2 GLU 25 1HB GLU 25 43.346 13.514 21.188
243 HB3 GLU 25 2HB GLU 25 42.547 12.067 20.605
244 HG2 GLU 25 1HG GLU 25 43.639 10.691 22.313
245 HG3 GLU 25 2HG GLU 25 44.655 12.028 22.812
246 H LYS 26 H LYS 26 46.834 10.756 20.237
247 HA LYS 26 HA LYS 26 47.363 8.614 20.191
248 HB2 LYS 26 1HB LYS 26 44.531 8.252 21.212
249 HB3 LYS 26 2HB LYS 26 45.756 6.999 21.204
250 HG2 LYS 26 1HG LYS 26 47.225 8.393 22.648
251 HG3 LYS 26 2HG LYS 26 46.051 9.694 22.615
252 HD2 LYS 26 1HD LYS 26 44.365 8.207 23.710
253 HD3 LYS 26 2HD LYS 26 45.529 6.897 23.733
254 HE2 LYS 26 1HE LYS 26 47.050 8.257 25.171
255 HE3 LYS 26 2HE LYS 26 45.913 9.591 25.127
256 HZ1 LYS 26 3HZ LYS 26 44.290 8.169 26.178
257 HZ2 LYS 26 1HZ LYS 26 45.342 6.921 26.213
258 HZ3 LYS 26 2HZ LYS 26 45.638 8.263 27.094
Start of MODEL 19
1 HA SER 1 HA SER 1 15.846 6.813 6.053
2 HG SER 1 HG SER 1 14.904 4.258 9.137
3 H1 SER 1 1H SER 1 16.105 3.965 5.531
4 HB2 SER 1 1HB SER 1 15.285 6.320 8.430
5 HB3 SER 1 2HB SER 1 14.055 5.736 7.326
6 H MET 2 H MET 2 17.490 7.624 7.633
7 HA MET 2 HA MET 2 19.929 6.216 7.079
8 HB2 MET 2 1HB MET 2 19.284 8.931 8.355
9 HB3 MET 2 2HB MET 2 20.923 8.367 8.097
10 HG2 MET 2 1HG MET 2 20.444 8.164 5.631
11 HG3 MET 2 2HG MET 2 18.826 8.778 5.908
12 HE1 MET 2 3HE MET 2 20.630 11.812 4.233
13 HE2 MET 2 1HE MET 2 20.874 10.084 3.889
14 HE3 MET 2 2HE MET 2 19.234 10.709 4.180
15 H TRP 3 H TRP 3 19.235 4.391 8.614
16 HA TRP 3 HA TRP 3 19.741 3.268 10.451
17 HD1 TRP 3 HD1 TRP 3 23.346 6.547 10.170
18 HE1 TRP 3 HE1 TRP 3 24.511 6.277 7.818
19 HE3 TRP 3 HE3 TRP 3 20.884 2.297 8.855
20 HZ2 TRP 3 HZ2 TRP 3 24.277 4.359 5.718
21 HZ3 TRP 3 HZ3 TRP 3 21.411 1.291 6.636
22 HH2 TRP 3 HH2 TRP 3 23.042 2.252 5.090
23 HB2 TRP 3 1HB TRP 3 21.487 5.386 11.582
24 HB3 TRP 3 2HB TRP 3 21.741 3.656 11.455
25 H SER 4 H SER 4 17.363 4.838 10.399
26 HA SER 4 HA SER 4 17.104 6.545 12.545
27 HG SER 4 HG SER 4 14.887 3.798 11.473
28 HB2 SER 4 1HB SER 4 14.611 5.971 12.316
29 HB3 SER 4 2HB SER 4 15.405 6.588 10.880
30 H GLY 5 H GLY 5 16.810 6.225 14.749
31 HA2 GLY 5 1HA GLY 5 15.958 4.837 16.533
32 HA3 GLY 5 2HA GLY 5 16.492 3.424 15.644
33 H MET 6 H MET 6 19.032 4.897 14.749
34 HA MET 6 HA MET 6 20.371 5.284 17.264
35 HB2 MET 6 1HB MET 6 22.166 3.590 16.575
36 HB3 MET 6 2HB MET 6 20.626 2.866 16.994
37 HG2 MET 6 1HG MET 6 20.013 2.691 14.598
38 HG3 MET 6 2HG MET 6 21.485 3.520 14.133
39 HE1 MET 6 3HE MET 6 20.401 0.560 13.220
40 HE2 MET 6 1HE MET 6 21.808 1.388 12.512
41 HE3 MET 6 2HE MET 6 21.965 -0.282 13.108
42 H TRP 7 H TRP 7 19.646 6.959 14.935
43 HA TRP 7 HA TRP 7 21.959 7.222 13.291
44 HD1 TRP 7 HD1 TRP 7 22.970 8.714 11.970
45 HE1 TRP 7 HE1 TRP 7 23.336 10.451 10.017
46 HE3 TRP 7 HE3 TRP 7 18.150 10.323 11.790
47 HZ2 TRP 7 HZ2 TRP 7 21.607 12.262 8.647
48 HZ3 TRP 7 HZ3 TRP 7 17.572 12.078 10.116
49 HH2 TRP 7 HH2 TRP 7 19.210 13.042 8.579
50 HB2 TRP 7 1HB TRP 7 19.624 7.751 12.595
51 HB3 TRP 7 2HB TRP 7 19.647 9.131 13.676
52 H ARG 8 H ARG 8 20.585 8.799 16.224
53 HA ARG 8 HA ARG 8 22.350 10.938 16.208
54 HE ARG 8 HE ARG 8 17.957 12.785 16.971
55 HB2 ARG 8 1HB ARG 8 20.737 9.609 18.434
56 HB3 ARG 8 2HB ARG 8 21.685 11.056 18.715
57 HG2 ARG 8 1HG ARG 8 20.409 12.241 16.915
58 HG3 ARG 8 2HG ARG 8 19.462 10.793 16.633
59 HD2 ARG 8 1HD ARG 8 18.628 10.881 18.996
60 HD3 ARG 8 2HD ARG 8 19.573 12.329 19.276
61 HH11 ARG 8 1HH1 ARG 8 17.595 12.322 20.441
62 HH12 ARG 8 2HH1 ARG 8 16.124 13.233 20.538
63 HH21 ARG 8 1HH2 ARG 8 16.017 13.986 17.098
64 HH22 ARG 8 2HH2 ARG 8 15.224 14.190 18.625
65 H ARG 9 H ARG 9 22.519 7.607 17.488
66 HA ARG 9 HA ARG 9 24.743 8.053 19.120
67 HE ARG 9 HE ARG 9 21.606 5.605 21.847
68 HB2 ARG 9 1HB ARG 9 23.595 5.533 17.829
69 HB3 ARG 9 2HB ARG 9 24.960 5.484 18.928
70 HG2 ARG 9 1HG ARG 9 23.533 6.672 20.663
71 HG3 ARG 9 2HG ARG 9 22.170 6.551 19.568
72 HD2 ARG 9 1HD ARG 9 22.364 4.064 19.577
73 HD3 ARG 9 2HD ARG 9 23.761 4.164 20.630
74 HH11 ARG 9 1HH1 ARG 9 22.557 2.305 21.082
75 HH12 ARG 9 2HH1 ARG 9 21.634 1.605 22.369
76 HH21 ARG 9 1HH2 ARG 9 20.416 4.685 23.568
77 HH22 ARG 9 2HH2 ARG 9 20.426 2.970 23.806
78 H LYS 10 H LYS 10 24.252 7.217 15.676
79 HA LYS 10 HA LYS 10 26.964 6.487 15.217
80 HB2 LYS 10 1HB LYS 10 24.516 6.923 13.547
81 HB3 LYS 10 2HB LYS 10 26.078 6.921 12.754
82 HG2 LYS 10 1HG LYS 10 26.598 4.693 13.683
83 HG3 LYS 10 2HG LYS 10 25.118 4.703 14.622
84 HD2 LYS 10 1HD LYS 10 23.786 4.821 12.493
85 HD3 LYS 10 2HD LYS 10 25.275 4.767 11.571
86 HE2 LYS 10 1HE LYS 10 24.553 2.598 13.588
87 HE3 LYS 10 2HE LYS 10 24.022 2.522 11.919
88 HZ1 LYS 10 3HZ LYS 10 26.062 1.373 12.137
89 HZ2 LYS 10 1HZ LYS 10 26.370 2.730 11.283
90 HZ3 LYS 10 2HZ LYS 10 26.804 2.639 12.855
91 H LEU 11 H LEU 11 25.019 9.484 15.059
92 HA LEU 11 HA LEU 11 27.042 10.986 13.754
93 HG LEU 11 HG LEU 11 24.417 10.762 12.903
94 HB2 LEU 11 1HB LEU 11 24.558 11.708 15.300
95 HB3 LEU 11 2HB LEU 11 25.634 12.918 14.630
96 HD11 LEU 11 1HD1 LEU 11 22.532 11.806 13.963
97 HD12 LEU 11 2HD1 LEU 11 23.195 13.429 13.654
98 HD13 LEU 11 3HD1 LEU 11 22.655 12.414 12.294
99 HD21 LEU 11 3HD2 LEU 11 25.576 13.500 12.321
100 HD22 LEU 11 1HD2 LEU 11 26.272 11.917 11.896
101 HD23 LEU 11 2HD2 LEU 11 24.765 12.463 11.122
102 H LYS 12 H LYS 12 26.234 10.162 17.135
103 HA LYS 12 HA LYS 12 28.014 12.018 18.294
104 HB2 LYS 12 1HB LYS 12 26.132 10.987 19.497
105 HB3 LYS 12 2HB LYS 12 26.893 9.413 19.370
106 HG2 LYS 12 1HG LYS 12 28.842 10.215 20.679
107 HG3 LYS 12 2HG LYS 12 28.163 11.830 20.743
108 HD2 LYS 12 1HD LYS 12 26.184 10.954 21.993
109 HD3 LYS 12 2HD LYS 12 26.847 9.334 21.918
110 HE2 LYS 12 1HE LYS 12 28.861 10.098 23.196
111 HE3 LYS 12 2HE LYS 12 28.199 11.718 23.271
112 HZ1 LYS 12 3HZ LYS 12 26.930 9.318 24.394
113 HZ2 LYS 12 1HZ LYS 12 27.702 10.477 25.249
114 HZ3 LYS 12 2HZ LYS 12 26.313 10.828 24.464
115 H LYS 13 H LYS 13 28.310 8.631 17.121
116 HA LYS 13 HA LYS 13 30.918 8.271 18.134
117 HB2 LYS 13 1HB LYS 13 29.361 6.431 17.590
118 HB3 LYS 13 2HB LYS 13 29.472 6.835 15.889
119 HG2 LYS 13 1HG LYS 13 31.903 6.375 15.895
120 HG3 LYS 13 2HG LYS 13 31.872 6.087 17.624
121 HD2 LYS 13 1HD LYS 13 30.310 4.160 17.275
122 HD3 LYS 13 2HD LYS 13 30.345 4.447 15.545
123 HE2 LYS 13 1HE LYS 13 32.812 4.041 15.521
124 HE3 LYS 13 2HE LYS 13 32.791 3.773 17.254
125 HZ1 LYS 13 3HZ LYS 13 31.316 2.175 15.277
126 HZ2 LYS 13 1HZ LYS 13 32.680 1.716 16.048
127 HZ3 LYS 13 2HZ LYS 13 31.296 1.926 16.891
128 H LEU 14 H LEU 14 29.553 9.533 15.066
129 HA LEU 14 HA LEU 14 31.976 9.659 13.675
130 HG LEU 14 HG LEU 14 31.425 12.275 12.142
131 HB2 LEU 14 1HB LEU 14 29.752 9.800 12.660
132 HB3 LEU 14 2HB LEU 14 29.487 11.353 13.429
133 HD11 LEU 14 1HD1 LEU 14 31.376 9.532 10.868
134 HD12 LEU 14 2HD1 LEU 14 32.140 10.953 10.116
135 HD13 LEU 14 3HD1 LEU 14 32.733 10.348 11.681
136 HD21 LEU 14 3HD2 LEU 14 29.634 11.236 10.028
137 HD22 LEU 14 1HD2 LEU 14 28.835 12.028 11.406
138 HD23 LEU 14 2HD2 LEU 14 30.061 12.908 10.465
139 H ARG 15 H ARG 15 30.221 12.147 15.653
140 HA ARG 15 HA ARG 15 32.036 14.136 15.411
141 HE ARG 15 HE ARG 15 28.555 17.185 15.777
142 HB2 ARG 15 1HB ARG 15 30.011 13.316 17.452
143 HB3 ARG 15 2HB ARG 15 31.237 14.420 18.047
144 HG2 ARG 15 1HG ARG 15 30.742 16.000 16.186
145 HG3 ARG 15 2HG ARG 15 29.547 14.890 15.543
146 HD2 ARG 15 1HD ARG 15 28.225 15.078 17.659
147 HD3 ARG 15 2HD ARG 15 29.423 16.176 18.315
148 HH11 ARG 15 1HH1 ARG 15 27.317 16.686 19.033
149 HH12 ARG 15 2HH1 ARG 15 26.228 18.031 18.963
150 HH21 ARG 15 1HH2 ARG 15 27.113 18.957 15.682
151 HH22 ARG 15 2HH2 ARG 15 26.098 19.320 17.038
152 H ASN 16 H ASN 16 31.921 11.528 17.951
153 HA ASN 16 HA ASN 16 34.020 12.392 19.434
154 HB2 ASN 16 1HB ASN 16 32.455 10.480 19.992
155 HB3 ASN 16 2HB ASN 16 33.286 9.480 18.817
156 HD21 ASN 16 1HD2 ASN 16 33.527 11.178 21.866
157 HD22 ASN 16 2HD2 ASN 16 34.903 10.341 22.503
158 H ALA 17 H ALA 17 33.938 10.210 16.538
159 HA ALA 17 HA ALA 17 36.662 9.492 16.692
160 HB1 ALA 17 3HB ALA 17 34.953 8.116 15.586
161 HB2 ALA 17 1HB ALA 17 34.667 9.406 14.393
162 HB3 ALA 17 2HB ALA 17 36.233 8.562 14.431
163 H LEU 18 H LEU 18 34.834 12.147 15.144
164 HA LEU 18 HA LEU 18 36.910 12.830 13.342
165 HG LEU 18 HG LEU 18 36.124 15.874 13.257
166 HB2 LEU 18 1HB LEU 18 34.581 13.292 12.879
167 HB3 LEU 18 2HB LEU 18 34.463 14.323 14.292
168 HD11 LEU 18 1HD1 LEU 18 36.494 15.640 10.782
169 HD12 LEU 18 2HD1 LEU 18 37.337 14.441 11.792
170 HD13 LEU 18 3HD1 LEU 18 35.860 13.983 10.910
171 HD21 LEU 18 3HD2 LEU 18 33.739 16.332 13.117
172 HD22 LEU 18 1HD2 LEU 18 34.564 16.845 11.626
173 HD23 LEU 18 2HD2 LEU 18 33.614 15.340 11.644
174 H LYS 19 H LYS 19 36.000 13.776 16.667
175 HA LYS 19 HA LYS 19 37.616 16.052 16.814
176 HB2 LYS 19 1HB LYS 19 35.754 15.427 18.366
177 HB3 LYS 19 2HB LYS 19 36.784 14.192 19.057
178 HG2 LYS 19 1HG LYS 19 38.487 15.962 19.623
179 HG3 LYS 19 2HG LYS 19 37.403 17.183 18.988
180 HD2 LYS 19 1HD LYS 19 35.675 16.544 20.668
181 HD3 LYS 19 2HD LYS 19 36.726 15.287 21.287
182 HE2 LYS 19 1HE LYS 19 38.440 17.028 21.881
183 HE3 LYS 19 2HE LYS 19 37.359 18.278 21.294
184 HZ1 LYS 19 3HZ LYS 19 35.746 17.560 22.933
185 HZ2 LYS 19 1HZ LYS 19 36.769 16.414 23.489
186 HZ3 LYS 19 2HZ LYS 19 37.147 17.995 23.650
187 H LYS 20 H LYS 20 38.281 12.564 17.114
188 HA LYS 20 HA LYS 20 40.792 12.868 18.365
189 HB2 LYS 20 1HB LYS 20 39.309 10.808 18.311
190 HB3 LYS 20 2HB LYS 20 39.852 10.544 16.667
191 HG2 LYS 20 1HG LYS 20 42.223 10.488 17.449
192 HG3 LYS 20 2HG LYS 20 41.692 10.778 19.094
193 HD2 LYS 20 1HD LYS 20 40.360 8.651 19.029
194 HD3 LYS 20 2HD LYS 20 40.919 8.359 17.394
195 HE2 LYS 20 1HE LYS 20 43.280 8.294 18.197
196 HE3 LYS 20 2HE LYS 20 42.744 8.631 19.831
197 HZ1 LYS 20 3HZ LYS 20 41.484 6.586 19.777
198 HZ2 LYS 20 1HZ LYS 20 41.976 6.274 18.251
199 HZ3 LYS 20 2HZ LYS 20 43.061 6.289 19.473
200 H LYS 21 H LYS 21 39.623 13.114 15.033
201 HA LYS 21 HA LYS 21 42.232 12.823 13.893
202 HB2 LYS 21 1HB LYS 21 39.588 13.748 12.730
203 HB3 LYS 21 2HB LYS 21 41.054 13.512 11.800
204 HG2 LYS 21 1HG LYS 21 41.131 11.113 12.635
205 HG3 LYS 21 2HG LYS 21 39.584 11.377 13.414
206 HD2 LYS 21 1HD LYS 21 38.573 11.960 11.192
207 HD3 LYS 21 2HD LYS 21 40.119 11.670 10.419
208 HE2 LYS 21 1HE LYS 21 40.074 9.297 11.223
209 HE3 LYS 21 2HE LYS 21 38.526 9.587 11.991
210 HZ1 LYS 21 3HZ LYS 21 37.622 10.121 9.829
211 HZ2 LYS 21 1HZ LYS 21 39.064 9.849 9.114
212 HZ3 LYS 21 2HZ LYS 21 38.261 8.618 9.825
213 H LEU 22 H LEU 22 40.015 15.531 14.779
214 HA LEU 22 HA LEU 22 41.686 17.412 13.411
215 HG LEU 22 HG LEU 22 38.768 16.603 13.008
216 HB2 LEU 22 1HB LEU 22 39.246 17.764 15.156
217 HB3 LEU 22 2HB LEU 22 40.038 19.050 14.268
218 HD11 LEU 22 1HD1 LEU 22 37.724 19.443 13.197
219 HD12 LEU 22 2HD1 LEU 22 36.974 18.106 12.291
220 HD13 LEU 22 3HD1 LEU 22 37.087 18.025 14.066
221 HD21 LEU 22 3HD2 LEU 22 40.078 19.057 11.830
222 HD22 LEU 22 1HD2 LEU 22 40.476 17.344 11.558
223 HD23 LEU 22 2HD2 LEU 22 38.961 18.018 10.912
224 H LYS 23 H LYS 23 40.764 16.764 16.865
225 HA LYS 23 HA LYS 23 42.590 18.845 17.684
226 HB2 LYS 23 1HB LYS 23 40.657 17.080 19.215
227 HB3 LYS 23 2HB LYS 23 41.666 18.305 19.957
228 HG2 LYS 23 1HG LYS 23 39.887 19.023 17.604
229 HG3 LYS 23 2HG LYS 23 39.211 18.927 19.218
230 HD2 LYS 23 1HD LYS 23 40.924 20.572 20.026
231 HD3 LYS 23 2HD LYS 23 41.582 20.676 18.406
232 HE2 LYS 23 1HE LYS 23 39.362 21.493 17.565
233 HE3 LYS 23 2HE LYS 23 38.718 21.405 19.192
234 HZ1 LYS 23 3HZ LYS 23 40.390 22.992 19.875
235 HZ2 LYS 23 1HZ LYS 23 40.987 23.076 18.356
236 HZ3 LYS 23 2HZ LYS 23 39.474 23.606 18.670
237 H GLY 24 H GLY 24 42.528 15.368 17.268
238 HA2 GLY 24 1HA GLY 24 44.529 14.147 17.204
239 HA3 GLY 24 2HA GLY 24 45.254 15.252 18.355
240 H GLU 25 H GLU 25 43.991 15.361 20.592
241 HA GLU 25 HA GLU 25 43.606 14.301 22.452
242 HB2 GLU 25 1HB GLU 25 41.815 12.527 20.735
243 HB3 GLU 25 2HB GLU 25 41.706 12.697 22.475
244 HG2 GLU 25 1HG GLU 25 41.356 15.215 22.104
245 HG3 GLU 25 2HG GLU 25 41.228 14.874 20.390
246 H LYS 26 H LYS 26 46.019 13.584 21.979
247 HA LYS 26 HA LYS 26 46.281 10.818 22.538
248 HB2 LYS 26 1HB LYS 26 47.393 10.112 20.490
249 HB3 LYS 26 2HB LYS 26 45.744 10.603 20.162
250 HG2 LYS 26 1HG LYS 26 46.622 12.893 19.490
251 HG3 LYS 26 2HG LYS 26 48.251 12.280 19.686
252 HD2 LYS 26 1HD LYS 26 47.746 10.480 17.990
253 HD3 LYS 26 2HD LYS 26 46.153 11.173 17.760
254 HE2 LYS 26 1HE LYS 26 47.188 13.331 17.036
255 HE3 LYS 26 2HE LYS 26 48.785 12.651 17.278
256 HZ1 LYS 26 3HZ LYS 26 46.775 11.620 15.398
257 HZ2 LYS 26 1HZ LYS 26 48.100 12.486 14.997
258 HZ3 LYS 26 2HZ LYS 26 48.263 10.987 15.625
Start of MODEL 20
1 HA SER 1 HA SER 1 14.161 6.081 6.587
2 HG SER 1 HG SER 1 16.213 4.333 9.282
3 H1 SER 1 1H SER 1 13.775 3.304 7.362
4 HB2 SER 1 1HB SER 1 15.677 6.362 8.573
5 HB3 SER 1 2HB SER 1 13.996 6.122 9.007
6 H MET 2 H MET 2 16.498 6.592 6.100
7 HA MET 2 HA MET 2 17.641 4.433 4.673
8 HB2 MET 2 1HB MET 2 18.543 7.296 5.295
9 HB3 MET 2 2HB MET 2 19.468 6.227 4.260
10 HG2 MET 2 1HG MET 2 17.529 5.999 2.718
11 HG3 MET 2 2HG MET 2 16.551 7.002 3.770
12 HE1 MET 2 3HE MET 2 17.234 9.364 0.736
13 HE2 MET 2 1HE MET 2 16.976 7.604 0.704
14 HE3 MET 2 2HE MET 2 16.002 8.625 1.788
15 H TRP 3 H TRP 3 18.130 5.956 7.842
16 HA TRP 3 HA TRP 3 20.700 4.574 8.118
17 HD1 TRP 3 HD1 TRP 3 22.897 6.990 8.040
18 HE1 TRP 3 HE1 TRP 3 22.938 9.016 6.349
19 HE3 TRP 3 HE3 TRP 3 17.946 8.084 8.414
20 HZ2 TRP 3 HZ2 TRP 3 20.940 10.808 5.380
21 HZ3 TRP 3 HZ3 TRP 3 17.071 9.987 7.062
22 HH2 TRP 3 HH2 TRP 3 18.481 11.329 5.584
23 HB2 TRP 3 1HB TRP 3 19.533 6.746 9.863
24 HB3 TRP 3 2HB TRP 3 21.159 6.094 9.922
25 H SER 4 H SER 4 21.076 3.373 10.156
26 HA SER 4 HA SER 4 18.783 2.817 11.756
27 HG SER 4 HG SER 4 20.547 1.021 9.123
28 HB2 SER 4 1HB SER 4 18.812 0.363 11.349
29 HB3 SER 4 2HB SER 4 18.363 1.259 9.912
30 H GLY 5 H GLY 5 19.414 1.253 13.598
31 HA2 GLY 5 1HA GLY 5 20.888 0.482 15.141
32 HA3 GLY 5 2HA GLY 5 22.216 0.795 14.041
33 H MET 6 H MET 6 19.668 2.836 15.663
34 HA MET 6 HA MET 6 19.794 4.746 16.701
35 HB2 MET 6 1HB MET 6 22.480 3.593 17.643
36 HB3 MET 6 2HB MET 6 21.678 4.952 18.406
37 HG2 MET 6 1HG MET 6 20.388 2.199 18.094
38 HG3 MET 6 2HG MET 6 21.264 2.697 19.527
39 HE1 MET 6 3HE MET 6 17.463 2.868 20.556
40 HE2 MET 6 1HE MET 6 18.192 1.739 19.389
41 HE3 MET 6 2HE MET 6 19.048 2.134 20.899
42 H TRP 7 H TRP 7 19.951 6.036 14.743
43 HA TRP 7 HA TRP 7 22.377 6.454 13.417
44 HD1 TRP 7 HD1 TRP 7 23.373 7.920 11.964
45 HE1 TRP 7 HE1 TRP 7 23.771 9.760 10.114
46 HE3 TRP 7 HE3 TRP 7 18.520 9.406 11.656
47 HZ2 TRP 7 HZ2 TRP 7 22.049 11.591 8.762
48 HZ3 TRP 7 HZ3 TRP 7 17.964 11.227 10.046
49 HH2 TRP 7 HH2 TRP 7 19.635 12.310 8.629
50 HB2 TRP 7 1HB TRP 7 20.169 6.743 12.399
51 HB3 TRP 7 2HB TRP 7 19.856 8.123 13.433
52 H ARG 8 H ARG 8 20.769 7.981 16.213
53 HA ARG 8 HA ARG 8 22.149 10.386 16.062
54 HE ARG 8 HE ARG 8 17.483 11.476 16.698
55 HB2 ARG 8 1HB ARG 8 20.753 8.944 18.364
56 HB3 ARG 8 2HB ARG 8 21.444 10.544 18.554
57 HG2 ARG 8 1HG ARG 8 20.010 11.385 16.682
58 HG3 ARG 8 2HG ARG 8 19.320 9.786 16.492
59 HD2 ARG 8 1HD ARG 8 18.454 9.879 18.842
60 HD3 ARG 8 2HD ARG 8 19.144 11.478 19.033
61 HH11 ARG 8 1HH1 ARG 8 17.220 11.304 20.202
62 HH12 ARG 8 2HH1 ARG 8 15.642 12.018 20.247
63 HH21 ARG 8 1HH2 ARG 8 15.404 12.421 16.756
64 HH22 ARG 8 2HH2 ARG 8 14.601 12.655 18.274
65 H ARG 9 H ARG 9 22.807 7.236 17.650
66 HA ARG 9 HA ARG 9 24.977 8.255 19.144
67 HE ARG 9 HE ARG 9 22.087 6.159 22.425
68 HB2 ARG 9 1HB ARG 9 24.048 5.422 18.478
69 HB3 ARG 9 2HB ARG 9 25.435 5.737 19.501
70 HG2 ARG 9 1HG ARG 9 23.902 7.187 20.963
71 HG3 ARG 9 2HG ARG 9 22.553 6.596 20.015
72 HD2 ARG 9 1HD ARG 9 23.137 4.244 20.637
73 HD3 ARG 9 2HD ARG 9 24.500 4.826 21.573
74 HH11 ARG 9 1HH1 ARG 9 23.662 3.017 22.578
75 HH12 ARG 9 2HH1 ARG 9 22.994 2.615 24.125
76 HH21 ARG 9 1HH2 ARG 9 21.187 5.620 24.456
77 HH22 ARG 9 2HH2 ARG 9 21.547 4.090 25.183
78 H LYS 10 H LYS 10 24.470 6.838 15.930
79 HA LYS 10 HA LYS 10 27.194 6.277 15.400
80 HB2 LYS 10 1HB LYS 10 24.672 6.506 13.800
81 HB3 LYS 10 2HB LYS 10 26.205 6.542 12.953
82 HG2 LYS 10 1HG LYS 10 26.871 4.396 14.016
83 HG3 LYS 10 2HG LYS 10 25.382 4.369 14.938
84 HD2 LYS 10 1HD LYS 10 24.047 4.217 12.867
85 HD3 LYS 10 2HD LYS 10 25.488 4.395 11.885
86 HE2 LYS 10 1HE LYS 10 26.402 2.269 12.921
87 HE3 LYS 10 2HE LYS 10 24.888 2.076 13.783
88 HZ1 LYS 10 3HZ LYS 10 23.757 2.025 11.660
89 HZ2 LYS 10 1HZ LYS 10 25.170 2.201 10.860
90 HZ3 LYS 10 2HZ LYS 10 24.889 0.850 11.734
91 H LEU 11 H LEU 11 25.077 9.154 15.116
92 HA LEU 11 HA LEU 11 27.003 10.693 13.714
93 HG LEU 11 HG LEU 11 24.396 10.311 12.880
94 HB2 LEU 11 1HB LEU 11 24.488 11.340 15.238
95 HB3 LEU 11 2HB LEU 11 25.495 12.588 14.532
96 HD11 LEU 11 1HD1 LEU 11 23.058 12.948 13.531
97 HD12 LEU 11 2HD1 LEU 11 22.576 11.876 12.194
98 HD13 LEU 11 3HD1 LEU 11 22.459 11.308 13.877
99 HD21 LEU 11 3HD2 LEU 11 24.672 11.975 11.040
100 HD22 LEU 11 1HD2 LEU 11 25.467 13.062 12.204
101 HD23 LEU 11 2HD2 LEU 11 26.196 11.484 11.818
102 H LYS 12 H LYS 12 26.258 10.028 17.147
103 HA LYS 12 HA LYS 12 27.954 12.019 18.190
104 HB2 LYS 12 1HB LYS 12 26.126 10.882 19.433
105 HB3 LYS 12 2HB LYS 12 27.061 9.400 19.432
106 HG2 LYS 12 1HG LYS 12 28.900 10.535 20.665
107 HG3 LYS 12 2HG LYS 12 28.015 12.048 20.624
108 HD2 LYS 12 1HD LYS 12 26.161 11.001 21.936
109 HD3 LYS 12 2HD LYS 12 27.036 9.484 21.970
110 HE2 LYS 12 1HE LYS 12 28.921 10.596 23.187
111 HE3 LYS 12 2HE LYS 12 28.048 12.116 23.150
112 HZ1 LYS 12 3HZ LYS 12 27.101 9.652 24.443
113 HZ2 LYS 12 1HZ LYS 12 27.707 10.960 25.211
114 HZ3 LYS 12 2HZ LYS 12 26.289 11.070 24.408
115 H LYS 13 H LYS 13 28.430 8.612 17.145
116 HA LYS 13 HA LYS 13 31.064 8.421 18.116
117 HB2 LYS 13 1HB LYS 13 29.620 6.487 17.602
118 HB3 LYS 13 2HB LYS 13 29.676 6.888 15.897
119 HG2 LYS 13 1HG LYS 13 32.139 6.587 15.877
120 HG3 LYS 13 2HG LYS 13 32.139 6.278 17.601
121 HD2 LYS 13 1HD LYS 13 30.695 4.265 17.243
122 HD3 LYS 13 2HD LYS 13 30.688 4.577 15.518
123 HE2 LYS 13 1HE LYS 13 33.179 4.324 15.460
124 HE3 LYS 13 2HE LYS 13 33.189 4.020 17.186
125 HZ1 LYS 13 3HZ LYS 13 31.802 2.097 16.794
126 HZ2 LYS 13 1HZ LYS 13 31.793 2.381 15.187
127 HZ3 LYS 13 2HZ LYS 13 33.188 1.985 15.937
128 H LEU 14 H LEU 14 29.617 9.493 15.001
129 HA LEU 14 HA LEU 14 32.024 9.758 13.615
130 HG LEU 14 HG LEU 14 31.395 12.183 11.955
131 HB2 LEU 14 1HB LEU 14 29.766 9.721 12.627
132 HB3 LEU 14 2HB LEU 14 29.446 11.305 13.306
133 HD11 LEU 14 1HD1 LEU 14 31.250 9.407 10.763
134 HD12 LEU 14 2HD1 LEU 14 32.023 10.792 9.955
135 HD13 LEU 14 3HD1 LEU 14 32.649 10.210 11.516
136 HD21 LEU 14 3HD2 LEU 14 29.086 12.559 11.283
137 HD22 LEU 14 1HD2 LEU 14 30.120 12.294 9.860
138 HD23 LEU 14 2HD2 LEU 14 29.055 10.991 10.441
139 H ARG 15 H ARG 15 30.117 12.149 15.566
140 HA ARG 15 HA ARG 15 31.761 14.273 15.204
141 HE ARG 15 HE ARG 15 28.040 17.037 15.487
142 HB2 ARG 15 1HB ARG 15 29.830 13.382 17.304
143 HB3 ARG 15 2HB ARG 15 30.971 14.603 17.836
144 HG2 ARG 15 1HG ARG 15 30.327 16.070 15.936
145 HG3 ARG 15 2HG ARG 15 29.238 14.838 15.330
146 HD2 ARG 15 1HD ARG 15 27.911 14.971 17.457
147 HD3 ARG 15 2HD ARG 15 28.993 16.216 18.049
148 HH11 ARG 15 1HH1 ARG 15 26.829 16.518 18.750
149 HH12 ARG 15 2HH1 ARG 15 25.557 17.684 18.601
150 HH21 ARG 15 1HH2 ARG 15 26.361 18.575 15.289
151 HH22 ARG 15 2HH2 ARG 15 25.290 18.862 16.619
152 H ASN 16 H ASN 16 31.878 11.777 17.852
153 HA ASN 16 HA ASN 16 33.945 12.860 19.246
154 HB2 ASN 16 1HB ASN 16 32.510 10.880 19.931
155 HB3 ASN 16 2HB ASN 16 33.401 9.876 18.804
156 HD21 ASN 16 1HD2 ASN 16 33.715 8.705 20.885
157 HD22 ASN 16 2HD2 ASN 16 35.109 9.084 21.840
158 H ALA 17 H ALA 17 33.938 10.527 16.470
159 HA ALA 17 HA ALA 17 36.682 9.945 16.575
160 HB1 ALA 17 3HB ALA 17 34.668 9.779 14.295
161 HB2 ALA 17 1HB ALA 17 36.266 8.996 14.317
162 HB3 ALA 17 2HB ALA 17 35.018 8.504 15.488
163 H LEU 18 H LEU 18 34.736 12.472 14.928
164 HA LEU 18 HA LEU 18 36.827 13.333 13.243
165 HG LEU 18 HG LEU 18 35.887 16.354 13.267
166 HB2 LEU 18 1HB LEU 18 34.495 13.713 12.735
167 HB3 LEU 18 2HB LEU 18 34.293 14.677 14.184
168 HD11 LEU 18 1HD1 LEU 18 35.840 14.535 10.850
169 HD12 LEU 18 2HD1 LEU 18 36.372 16.232 10.800
170 HD13 LEU 18 3HD1 LEU 18 37.246 15.055 11.809
171 HD21 LEU 18 3HD2 LEU 18 33.494 15.745 11.509
172 HD22 LEU 18 1HD2 LEU 18 33.479 16.664 13.033
173 HD23 LEU 18 2HD2 LEU 18 34.346 17.305 11.616
174 H LYS 19 H LYS 19 35.723 14.218 16.543
175 HA LYS 19 HA LYS 19 37.376 16.480 16.773
176 HB2 LYS 19 1HB LYS 19 35.381 16.038 18.165
177 HB3 LYS 19 2HB LYS 19 36.206 14.694 18.927
178 HG2 LYS 19 1HG LYS 19 37.956 16.205 19.801
179 HG3 LYS 19 2HG LYS 19 37.250 17.564 18.949
180 HD2 LYS 19 1HD LYS 19 35.148 17.313 20.284
181 HD3 LYS 19 2HD LYS 19 35.850 15.951 21.134
182 HE2 LYS 19 1HE LYS 19 37.680 17.428 21.994
183 HE3 LYS 19 2HE LYS 19 36.984 18.790 21.138
184 HZ1 LYS 19 3HZ LYS 19 35.633 17.243 23.241
185 HZ2 LYS 19 1HZ LYS 19 36.277 18.733 23.418
186 HZ3 LYS 19 2HZ LYS 19 34.986 18.513 22.444
187 H LYS 20 H LYS 20 37.837 12.978 17.408
188 HA LYS 20 HA LYS 20 40.354 13.304 18.654
189 HB2 LYS 20 1HB LYS 20 38.916 10.959 17.402
190 HB3 LYS 20 2HB LYS 20 40.527 10.811 18.073
191 HG2 LYS 20 1HG LYS 20 39.746 11.566 20.276
192 HG3 LYS 20 2HG LYS 20 38.158 11.938 19.634
193 HD2 LYS 20 1HD LYS 20 37.986 9.794 20.742
194 HD3 LYS 20 2HD LYS 20 37.891 9.489 19.020
195 HE2 LYS 20 1HE LYS 20 40.215 8.762 18.934
196 HE3 LYS 20 2HE LYS 20 40.515 9.321 20.567
197 HZ1 LYS 20 3HZ LYS 20 40.130 6.953 20.471
198 HZ2 LYS 20 1HZ LYS 20 38.974 7.680 21.368
199 HZ3 LYS 20 2HZ LYS 20 38.637 7.178 19.851
200 H LYS 21 H LYS 21 39.211 13.070 15.289
201 HA LYS 21 HA LYS 21 41.748 12.600 14.154
202 HB2 LYS 21 1HB LYS 21 39.345 12.336 13.171
203 HB3 LYS 21 2HB LYS 21 39.499 14.030 12.750
204 HG2 LYS 21 1HG LYS 21 41.695 13.482 11.592
205 HG3 LYS 21 2HG LYS 21 41.396 11.786 11.913
206 HD2 LYS 21 1HD LYS 21 39.273 11.894 10.616
207 HD3 LYS 21 2HD LYS 21 39.518 13.607 10.332
208 HE2 LYS 21 1HE LYS 21 41.661 13.091 9.127
209 HE3 LYS 21 2HE LYS 21 41.390 11.380 9.391
210 HZ1 LYS 21 3HZ LYS 21 40.605 12.067 7.244
211 HZ2 LYS 21 1HZ LYS 21 39.338 11.578 8.151
212 HZ3 LYS 21 2HZ LYS 21 39.597 13.171 7.902
213 H LEU 22 H LEU 22 39.886 15.562 15.012
214 HA LEU 22 HA LEU 22 41.757 17.293 13.760
215 HG LEU 22 HG LEU 22 38.985 17.092 13.283
216 HB2 LEU 22 1HB LEU 22 39.513 17.751 15.726
217 HB3 LEU 22 2HB LEU 22 40.479 19.042 15.036
218 HD11 LEU 22 1HD1 LEU 22 37.327 18.007 14.795
219 HD12 LEU 22 2HD1 LEU 22 37.908 19.659 14.479
220 HD13 LEU 22 3HD1 LEU 22 37.138 18.723 13.176
221 HD21 LEU 22 3HD2 LEU 22 40.045 19.897 12.854
222 HD22 LEU 22 1HD2 LEU 22 40.666 18.388 12.144
223 HD23 LEU 22 2HD2 LEU 22 39.055 18.991 11.684
224 H LYS 23 H LYS 23 41.369 15.827 16.981
225 HA LYS 23 HA LYS 23 43.276 17.524 18.229
226 HB2 LYS 23 1HB LYS 23 41.518 16.410 19.499
227 HB3 LYS 23 2HB LYS 23 42.124 14.835 19.027
228 HG2 LYS 23 1HG LYS 23 44.256 15.251 20.202
229 HG3 LYS 23 2HG LYS 23 43.766 16.891 20.579
230 HD2 LYS 23 1HD LYS 23 41.910 16.067 21.979
231 HD3 LYS 23 2HD LYS 23 42.249 14.412 21.515
232 HE2 LYS 23 1HE LYS 23 44.550 14.634 22.547
233 HE3 LYS 23 2HE LYS 23 44.122 16.247 23.084
234 HZ1 LYS 23 3HZ LYS 23 42.264 15.244 24.290
235 HZ2 LYS 23 1HZ LYS 23 42.772 13.754 23.855
236 HZ3 LYS 23 2HZ LYS 23 43.710 14.689 24.810
237 H GLY 24 H GLY 24 43.366 14.507 16.335
238 HA2 GLY 24 1HA GLY 24 45.265 13.551 15.415
239 HA3 GLY 24 2HA GLY 24 46.283 14.485 16.492
240 H GLU 25 H GLU 25 43.492 13.013 17.998
241 HA GLU 25 HA GLU 25 45.254 11.240 19.405
242 HB2 GLU 25 1HB GLU 25 43.478 12.640 20.545
243 HB3 GLU 25 2HB GLU 25 42.254 11.664 19.756
244 HG2 GLU 25 1HG GLU 25 43.043 9.637 20.884
245 HG3 GLU 25 2HG GLU 25 44.440 10.478 21.526
246 H LYS 26 H LYS 26 42.894 11.169 16.796
247 HA LYS 26 HA LYS 26 42.111 8.481 17.054
248 HB2 LYS 26 1HB LYS 26 40.888 10.252 15.794
249 HB3 LYS 26 2HB LYS 26 42.149 10.233 14.579
250 HG2 LYS 26 1HG LYS 26 41.714 7.808 14.156
251 HG3 LYS 26 2HG LYS 26 40.462 7.814 15.381
252 HD2 LYS 26 1HD LYS 26 39.243 9.601 14.060
253 HD3 LYS 26 2HD LYS 26 40.458 9.457 12.806
254 HE2 LYS 26 1HE LYS 26 38.777 7.104 13.792
255 HE3 LYS 26 2HE LYS 26 38.336 8.092 12.412
256 HZ1 LYS 26 3HZ LYS 26 39.530 6.261 11.614
257 HZ2 LYS 26 1HZ LYS 26 40.558 7.524 11.496
258 HZ3 LYS 26 2HZ LYS 26 40.738 6.434 12.699