Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
24508 | 2k2z RC | 15731 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 H1 LEU 37 H LEU 37 23.447 35.149 15.361
2 HA LEU 37 HA LEU 37 24.630 34.932 13.322
3 HB2 LEU 37 2HB LEU 37 26.296 36.658 13.761
4 HB3 LEU 37 3HB LEU 37 27.040 35.665 14.997
5 HG LEU 37 HG LEU 37 27.622 33.962 13.271
6 HD11 LEU 37 1HD1 LEU 37 25.866 34.348 11.616
7 HD12 LEU 37 2HD1 LEU 37 27.438 34.555 10.874
8 HD13 LEU 37 3HD1 LEU 37 26.479 35.968 11.305
9 HD21 LEU 37 3HD2 LEU 37 29.394 35.271 12.189
10 HD22 LEU 37 1HD2 LEU 37 29.225 35.720 13.880
11 HD23 LEU 37 2HD2 LEU 37 28.569 36.768 12.620
12 H THR 38 H THR 38 26.598 33.907 16.128
13 HA THR 38 HA THR 38 26.283 31.091 15.258
14 HB THR 38 HB THR 38 28.227 32.154 17.321
15 HG1 THR 38 1HG THR 38 29.697 32.482 15.651
16 HG21 THR 38 1HG2 THR 38 28.488 29.896 15.290
17 HG22 THR 38 2HG2 THR 38 28.028 29.664 16.983
18 HG23 THR 38 3HG2 THR 38 29.627 30.296 16.590
19 H GLY 39 H GLY 39 25.437 29.526 16.589
20 HA2 GLY 39 2HA GLY 39 24.000 30.393 19.031
21 HA3 GLY 39 3HA GLY 39 23.764 28.899 18.142
22 H CYS 40 H CYS 40 27.049 29.147 18.434
23 HA CYS 40 HA CYS 40 27.336 28.112 21.187
24 HB2 CYS 40 2HB CYS 40 28.571 26.815 18.733
25 HB3 CYS 40 3HB CYS 40 28.827 26.329 20.402
26 H LYS 41 H LYS 41 29.938 27.796 21.476
27 HA LYS 41 HA LYS 41 31.202 30.339 20.730
28 HB2 LYS 41 2HB LYS 41 31.093 29.881 23.057
29 HB3 LYS 41 3HB LYS 41 31.663 28.233 22.854
30 HG2 LYS 41 2HG LYS 41 33.404 29.616 23.797
31 HG3 LYS 41 3HG LYS 41 33.886 29.038 22.201
32 HD2 LYS 41 2HD LYS 41 33.345 31.250 21.220
33 HD3 LYS 41 3HD LYS 41 32.776 31.814 22.806
34 HE2 LYS 41 2HE LYS 41 35.037 31.460 23.743
35 HE3 LYS 41 3HE LYS 41 35.605 30.866 22.177
36 HZ1 LYS 41 3HZ LYS 41 35.143 33.011 21.241
37 HZ2 LYS 41 1HZ LYS 41 36.138 33.206 22.536
38 HZ3 LYS 41 2HZ LYS 41 34.539 33.567 22.669
39 H GLY 42 H GLY 42 32.360 26.897 21.030
40 HA2 GLY 42 2HA GLY 42 33.447 26.883 18.338
41 HA3 GLY 42 3HA GLY 42 34.684 27.162 19.565
42 H LYS 43 H LYS 43 34.694 25.500 21.421
43 HA LYS 43 HA LYS 43 34.865 22.824 20.437
44 HB2 LYS 43 2HB LYS 43 34.777 23.933 23.271
45 HB3 LYS 43 3HB LYS 43 35.124 22.255 22.904
46 HG2 LYS 43 2HG LYS 43 36.855 24.437 21.691
47 HG3 LYS 43 3HG LYS 43 37.042 23.979 23.374
48 HD2 LYS 43 2HD LYS 43 38.656 22.787 22.083
49 HD3 LYS 43 3HD LYS 43 37.489 21.632 22.717
50 HE2 LYS 43 2HE LYS 43 36.365 21.526 20.514
51 HE3 LYS 43 3HE LYS 43 37.459 22.759 19.872
52 HZ1 LYS 43 3HZ LYS 43 38.257 20.102 20.852
53 HZ2 LYS 43 1HZ LYS 43 39.281 21.249 20.257
54 HZ3 LYS 43 2HZ LYS 43 38.167 20.548 19.272
55 H GLY 44 H GLY 44 32.190 24.620 21.779
56 HA2 GLY 44 2HA GLY 44 30.205 23.099 20.744
57 HA3 GLY 44 3HA GLY 44 30.508 22.275 22.274
58 H GLY 45 H GLY 45 31.187 25.402 23.108
59 HA2 GLY 45 2HA GLY 45 29.961 27.093 24.195
60 HA3 GLY 45 3HA GLY 45 28.506 26.507 23.394
61 H GLU 46 H GLU 46 27.089 26.115 24.972
62 HA GLU 46 HA GLU 46 27.743 24.138 27.098
63 HB2 GLU 46 2HB GLU 46 26.452 26.854 27.500
64 HB3 GLU 46 3HB GLU 46 26.149 25.494 28.591
65 HG2 GLU 46 2HG GLU 46 28.550 25.279 29.076
66 HG3 GLU 46 3HG GLU 46 28.927 26.586 27.949
67 H CYS 47 H CYS 47 26.346 22.605 27.308
68 HA CYS 47 HA CYS 47 23.976 22.425 25.624
69 HB2 CYS 47 2HB CYS 47 25.270 20.537 27.626
70 HB3 CYS 47 3HB CYS 47 23.824 20.148 26.693
71 H ASN 48 H ASN 48 21.972 22.760 26.194
72 HA ASN 48 HA ASN 48 21.119 23.083 29.027
73 HB2 ASN 48 2HB ASN 48 20.828 24.934 26.623
74 HB3 ASN 48 3HB ASN 48 19.644 24.961 27.908
75 HD21 ASN 48 2HD2 ASN 48 23.434 26.425 28.704
76 HD22 ASN 48 1HD2 ASN 48 23.167 25.416 27.297
77 HA PRO 49 HA PRO 49 17.551 20.685 27.745
78 HB2 PRO 49 3HB PRO 49 16.684 20.758 29.861
79 HB3 PRO 49 2HB PRO 49 15.479 21.859 29.144
80 HG2 PRO 49 2HG PRO 49 16.596 23.766 29.943
81 HG3 PRO 49 3HG PRO 49 17.029 22.641 31.255
82 HD2 PRO 49 2HD PRO 49 18.900 23.972 29.755
83 HD3 PRO 49 3HD PRO 49 19.206 22.349 30.420
84 H LEU 50 H LEU 50 15.645 20.790 26.478
85 HA LEU 50 HA LEU 50 15.694 22.702 24.360
86 HB2 LEU 50 2HB LEU 50 13.631 20.636 25.214
87 HB3 LEU 50 3HB LEU 50 13.631 21.451 23.649
88 HG LEU 50 HG LEU 50 15.990 19.766 24.601
89 HD11 LEU 50 1HD1 LEU 50 15.063 17.923 23.297
90 HD12 LEU 50 2HD1 LEU 50 13.602 18.880 22.946
91 HD13 LEU 50 3HD1 LEU 50 13.966 18.387 24.612
92 HD21 LEU 50 3HD2 LEU 50 16.571 19.692 22.233
93 HD22 LEU 50 1HD2 LEU 50 16.391 21.382 22.723
94 HD23 LEU 50 2HD2 LEU 50 15.104 20.601 21.805
95 H ASP 51 H ASP 51 13.628 22.255 27.191
96 HA ASP 51 HA ASP 51 12.010 24.663 26.648
97 HB2 ASP 51 2HB ASP 51 12.014 22.742 29.001
98 HB3 ASP 51 3HB ASP 51 10.880 24.077 28.757
99 H ARG 52 H ARG 52 14.323 25.723 26.553
100 HA ARG 52 HA ARG 52 14.694 27.149 29.131
101 HB2 ARG 52 2HB ARG 52 16.538 25.439 28.467
102 HB3 ARG 52 3HB ARG 52 16.922 26.524 27.143
103 HG2 ARG 52 2HG ARG 52 18.422 26.870 29.007
104 HG3 ARG 52 3HG ARG 52 17.413 28.316 28.852
105 HD2 ARG 52 2HD ARG 52 16.085 27.701 30.746
106 HD3 ARG 52 3HD ARG 52 16.655 26.022 30.705
107 HE ARG 52 HE ARG 52 18.944 27.319 31.120
108 HH11 ARG 52 1HH1 ARG 52 15.822 27.475 32.823
109 HH12 ARG 52 2HH1 ARG 52 16.555 27.876 34.360
110 HH21 ARG 52 2HH2 ARG 52 18.814 28.071 34.544
111 HH22 ARG 52 1HH2 ARG 52 19.848 27.815 33.155
112 H GLN 53 H GLN 53 15.261 29.355 28.954
113 HA GLN 53 HA GLN 53 14.558 30.651 26.411
114 HB2 GLN 53 2HB GLN 53 15.141 31.727 29.210
115 HB3 GLN 53 3HB GLN 53 14.805 32.750 27.804
116 HG2 GLN 53 2HG GLN 53 12.601 31.622 27.543
117 HG3 GLN 53 3HG GLN 53 12.903 30.730 29.038
118 HE21 GLN 53 2HE2 GLN 53 12.751 33.802 31.113
119 HE22 GLN 53 1HE2 GLN 53 13.812 32.430 30.895
120 H CYS 54 H CYS 54 16.410 29.644 25.372
121 HA CYS 54 HA CYS 54 18.350 31.678 24.983
122 HB2 CYS 54 2HB CYS 54 20.393 30.300 25.304
123 HB3 CYS 54 3HB CYS 54 19.550 30.706 26.776
124 H LYS 55 H LYS 55 19.940 30.951 23.210
125 HA LYS 55 HA LYS 55 18.491 30.494 20.885
126 HB2 LYS 55 2HB LYS 55 20.862 31.555 21.442
127 HB3 LYS 55 3HB LYS 55 21.457 29.943 21.095
128 HG2 LYS 55 2HG LYS 55 21.730 30.914 19.060
129 HG3 LYS 55 3HG LYS 55 20.106 30.306 18.795
130 HD2 LYS 55 2HD LYS 55 20.817 33.137 19.712
131 HD3 LYS 55 3HD LYS 55 20.516 32.677 18.044
132 HE2 LYS 55 2HE LYS 55 18.447 32.416 20.258
133 HE3 LYS 55 3HE LYS 55 18.600 33.801 19.170
134 HZ1 LYS 55 3HZ LYS 55 16.969 32.280 18.366
135 HZ2 LYS 55 1HZ LYS 55 18.055 31.041 18.317
136 HZ3 LYS 55 2HZ LYS 55 18.239 32.332 17.316
137 H GLU 56 H GLU 56 19.099 28.782 19.126
138 HA GLU 56 HA GLU 56 19.676 26.105 20.161
139 HB2 GLU 56 2HB GLU 56 17.284 26.485 20.636
140 HB3 GLU 56 3HB GLU 56 16.969 26.790 18.921
141 HG2 GLU 56 2HG GLU 56 17.476 24.513 18.342
142 HG3 GLU 56 3HG GLU 56 18.127 24.186 19.948
143 H LEU 57 H LEU 57 20.156 24.620 18.581
144 HA LEU 57 HA LEU 57 20.335 25.453 15.742
145 HB2 LEU 57 2HB LEU 57 22.552 24.294 17.471
146 HB3 LEU 57 3HB LEU 57 22.640 24.377 15.722
147 HG LEU 57 HG LEU 57 22.370 26.805 17.522
148 HD11 LEU 57 1HD1 LEU 57 24.736 27.222 16.979
149 HD12 LEU 57 2HD1 LEU 57 24.796 25.697 16.085
150 HD13 LEU 57 3HD1 LEU 57 24.503 25.702 17.844
151 HD21 LEU 57 3HD2 LEU 57 21.478 27.272 15.266
152 HD22 LEU 57 1HD2 LEU 57 22.970 26.643 14.534
153 HD23 LEU 57 2HD2 LEU 57 23.006 28.117 15.506
154 H GLN 58 H GLN 58 21.070 23.491 14.470
155 HA GLN 58 HA GLN 58 19.696 21.008 15.418
156 HB2 GLN 58 2HB GLN 58 18.902 20.573 13.224
157 HB3 GLN 58 3HB GLN 58 18.411 22.201 13.702
158 HG2 GLN 58 2HG GLN 58 20.255 23.146 12.324
159 HG3 GLN 58 3HG GLN 58 20.682 21.514 11.793
160 HE21 GLN 58 2HE2 GLN 58 18.424 23.302 9.287
161 HE22 GLN 58 1HE2 GLN 58 19.874 23.803 10.141
162 H ALA 59 H ALA 59 22.440 22.370 13.653
163 HA ALA 59 HA ALA 59 23.677 19.798 13.118
164 HB1 ALA 59 1HB ALA 59 24.775 22.636 12.957
165 HB2 ALA 59 2HB ALA 59 25.534 21.182 12.277
166 HB3 ALA 59 3HB ALA 59 23.978 21.746 11.641
167 H GLU 60 H GLU 60 23.925 22.249 15.721
168 HA GLU 60 HA GLU 60 26.221 20.800 16.926
169 HB2 GLU 60 2HB GLU 60 25.124 23.600 17.114
170 HB3 GLU 60 3HB GLU 60 26.130 22.952 18.398
171 HG2 GLU 60 2HG GLU 60 27.529 24.206 16.888
172 HG3 GLU 60 3HG GLU 60 27.966 22.502 16.843
173 H SER 61 H SER 61 22.779 21.060 17.359
174 HA SER 61 HA SER 61 22.714 20.569 20.195
175 HB2 SER 61 2HB SER 61 20.408 19.803 19.738
176 HB3 SER 61 3HB SER 61 20.754 21.380 19.014
177 HG SER 61 HG SER 61 19.688 20.005 17.534
178 H ALA 62 H ALA 62 23.469 18.585 17.413
179 HA ALA 62 HA ALA 62 23.121 15.991 18.568
180 HB1 ALA 62 1HB ALA 62 24.859 17.027 16.280
181 HB2 ALA 62 2HB ALA 62 24.548 15.318 16.638
182 HB3 ALA 62 3HB ALA 62 23.210 16.381 16.157
183 H SER 63 H SER 63 25.605 18.449 18.996
184 HA SER 63 HA SER 63 27.749 16.749 19.882
185 HB2 SER 63 2HB SER 63 27.989 19.138 19.140
186 HB3 SER 63 3HB SER 63 27.127 19.638 20.608
187 HG SER 63 HG SER 63 29.664 18.443 20.355
188 H CYS 64 H CYS 64 25.001 18.400 21.490
189 HA CYS 64 HA CYS 64 25.569 17.444 24.167
190 HB2 CYS 64 2HB CYS 64 23.014 18.522 22.929
191 HB3 CYS 64 3HB CYS 64 23.385 18.320 24.645
192 H GLY 65 H GLY 65 24.001 16.119 21.329
193 HA2 GLY 65 2HA GLY 65 23.675 13.803 21.082
194 HA3 GLY 65 3HA GLY 65 23.278 13.639 22.797
195 H LYS 66 H LYS 66 21.282 12.908 22.862
196 HA LYS 66 HA LYS 66 19.099 14.176 21.277
197 HB2 LYS 66 2HB LYS 66 19.519 11.339 22.318
198 HB3 LYS 66 3HB LYS 66 17.930 11.959 21.924
199 HG2 LYS 66 2HG LYS 66 18.653 10.739 20.051
200 HG3 LYS 66 3HG LYS 66 18.690 12.437 19.587
201 HD2 LYS 66 2HD LYS 66 21.126 12.483 19.764
202 HD3 LYS 66 3HD LYS 66 21.167 10.860 20.461
203 HE2 LYS 66 2HE LYS 66 20.088 11.512 17.685
204 HE3 LYS 66 3HE LYS 66 21.764 11.042 17.996
205 HZ1 LYS 66 3HZ LYS 66 20.998 8.975 18.890
206 HZ2 LYS 66 1HZ LYS 66 20.452 9.158 17.349
207 HZ3 LYS 66 2HZ LYS 66 19.420 9.373 18.609
208 H GLY 67 H GLY 67 18.060 15.615 22.497
209 HA2 GLY 67 2HA GLY 67 16.295 15.731 24.197
210 HA3 GLY 67 3HA GLY 67 17.389 14.971 25.344
211 H GLN 68 H GLN 68 19.317 17.076 23.605
212 HA GLN 68 HA GLN 68 18.690 19.510 25.184
213 HB2 GLN 68 2HB GLN 68 21.300 17.952 25.175
214 HB3 GLN 68 3HB GLN 68 21.226 19.661 25.604
215 HG2 GLN 68 2HG GLN 68 19.519 19.046 27.394
216 HG3 GLN 68 3HG GLN 68 19.928 17.352 27.084
217 HE21 GLN 68 2HE2 GLN 68 22.226 19.381 29.621
218 HE22 GLN 68 1HE2 GLN 68 20.534 19.670 29.275
219 H LYS 69 H LYS 69 20.118 21.335 24.483
220 HA LYS 69 HA LYS 69 21.087 21.224 21.713
221 HB2 LYS 69 2HB LYS 69 19.790 23.289 21.140
222 HB3 LYS 69 3HB LYS 69 18.877 21.799 21.271
223 HG2 LYS 69 2HG LYS 69 17.521 23.450 22.207
224 HG3 LYS 69 3HG LYS 69 18.100 22.520 23.572
225 HD2 LYS 69 2HD LYS 69 19.646 24.263 24.206
226 HD3 LYS 69 3HD LYS 69 19.306 25.197 22.742
227 HE2 LYS 69 2HE LYS 69 17.001 24.390 24.506
228 HE3 LYS 69 3HE LYS 69 18.071 25.634 25.119
229 HZ1 LYS 69 3HZ LYS 69 17.661 26.890 23.085
230 HZ2 LYS 69 1HZ LYS 69 16.291 26.653 23.957
231 HZ3 LYS 69 2HZ LYS 69 16.563 25.756 22.597
232 H CYS 70 H CYS 70 22.082 23.357 21.075
233 HA CYS 70 HA CYS 70 23.986 24.128 23.183
234 HB2 CYS 70 2HB CYS 70 24.675 23.478 20.846
235 HB3 CYS 70 3HB CYS 70 23.842 24.915 20.248
236 H CYS 71 H CYS 71 24.208 26.220 23.958
237 HA CYS 71 HA CYS 71 22.357 28.345 23.030
238 HB2 CYS 71 2HB CYS 71 22.678 27.247 25.844
239 HB3 CYS 71 3HB CYS 71 22.169 28.900 25.563
240 H VAL 72 H VAL 72 22.881 30.435 24.091
241 HA VAL 72 HA VAL 72 25.797 30.940 24.290
242 HB VAL 72 HB VAL 72 25.443 33.017 23.124
243 HG11 VAL 72 1HG1 VAL 72 25.914 30.975 21.763
244 HG12 VAL 72 2HG1 VAL 72 24.168 30.811 21.473
245 HG13 VAL 72 3HG1 VAL 72 25.034 32.233 20.877
246 HG21 VAL 72 3HG2 VAL 72 22.519 32.217 22.843
247 HG22 VAL 72 1HG2 VAL 72 23.148 33.603 23.751
248 HG23 VAL 72 2HG2 VAL 72 23.283 33.567 21.991
249 H TRP 73 H TRP 73 25.934 33.402 25.046
250 HA TRP 73 HA TRP 73 24.358 33.782 27.545
251 HB2 TRP 73 2HB TRP 73 26.650 34.404 28.541
252 HB3 TRP 73 3HB TRP 73 26.275 32.712 28.298
253 HD1 TRP 73 HD1 TRP 73 28.203 35.461 26.358
254 HE1 TRP 73 HE1 TRP 73 30.241 34.411 25.241
255 HE3 TRP 73 HE3 TRP 73 27.281 30.578 27.501
256 HZ2 TRP 73 HZ2 TRP 73 31.396 31.754 24.964
257 HZ3 TRP 73 HZ3 TRP 73 28.859 28.793 26.795
258 HH2 TRP 73 HH2 TRP 73 30.928 29.382 25.537
259 H LEU 74 H LEU 74 25.913 35.220 24.761
260 HA LEU 74 HA LEU 74 25.887 37.926 25.774
261 HB2 LEU 74 2HB LEU 74 26.747 38.597 23.755
262 HB3 LEU 74 3HB LEU 74 27.442 37.014 24.010
263 HG LEU 74 HG LEU 74 25.164 37.715 22.086
264 HD11 LEU 74 1HD1 LEU 74 28.044 36.865 21.570
265 HD12 LEU 74 2HD1 LEU 74 27.401 38.511 21.397
266 HD13 LEU 74 3HD1 LEU 74 26.818 37.222 20.337
267 HD21 LEU 74 3HD2 LEU 74 24.826 35.418 22.848
268 HD22 LEU 74 1HD2 LEU 74 26.539 35.033 22.537
269 HD23 LEU 74 2HD2 LEU 74 25.437 35.408 21.196
270 H HIS 75 H HIS 75 24.718 39.657 24.347
271 HA HIS 75 HA HIS 75 21.800 38.992 24.196
272 HB2 HIS 75 2HB HIS 75 23.098 41.547 25.150
273 HB3 HIS 75 3HB HIS 75 21.362 41.155 25.040
274 HD1 HIS 75 HD1 HIS 75 21.253 38.394 26.443
275 HD2 HIS 75 HD2 HIS 75 23.581 41.673 27.724
276 HE1 HIS 75 HE1 HIS 75 21.807 38.062 29.022
277 HE2 HIS 75 HE2 HIS 75 23.184 40.130 29.682
Start of MODEL 2
1 H1 LEU 37 H LEU 37 26.904 36.552 14.322
2 HA LEU 37 HA LEU 37 27.337 35.186 16.206
3 HB2 LEU 37 2HB LEU 37 26.939 36.898 17.902
4 HB3 LEU 37 3HB LEU 37 25.215 36.919 17.512
5 HG LEU 37 HG LEU 37 24.982 34.595 18.308
6 HD11 LEU 37 1HD1 LEU 37 26.821 33.498 19.549
7 HD12 LEU 37 2HD1 LEU 37 27.939 34.784 19.047
8 HD13 LEU 37 3HD1 LEU 37 27.237 33.687 17.850
9 HD21 LEU 37 3HD2 LEU 37 26.412 36.376 20.340
10 HD22 LEU 37 1HD2 LEU 37 25.263 35.072 20.703
11 HD23 LEU 37 2HD2 LEU 37 24.715 36.532 19.873
12 H THR 38 H THR 38 26.469 33.254 15.947
13 HA THR 38 HA THR 38 23.698 32.960 14.876
14 HB THR 38 HB THR 38 26.118 31.180 14.457
15 HG1 THR 38 1HG THR 38 24.681 32.918 12.735
16 HG21 THR 38 1HG2 THR 38 24.658 29.997 12.832
17 HG22 THR 38 2HG2 THR 38 23.272 30.976 13.364
18 HG23 THR 38 3HG2 THR 38 24.055 29.840 14.487
19 H GLY 39 H GLY 39 26.143 31.039 16.684
20 HA2 GLY 39 2HA GLY 39 24.308 30.501 18.901
21 HA3 GLY 39 3HA GLY 39 24.682 29.143 17.826
22 H CYS 40 H CYS 40 25.678 28.037 19.456
23 HA CYS 40 HA CYS 40 27.914 28.983 21.015
24 HB2 CYS 40 2HB CYS 40 26.886 26.171 20.545
25 HB3 CYS 40 3HB CYS 40 27.928 26.698 21.843
26 H LYS 41 H LYS 41 29.798 27.300 21.093
27 HA LYS 41 HA LYS 41 31.033 27.075 18.377
28 HB2 LYS 41 2HB LYS 41 32.319 27.524 21.084
29 HB3 LYS 41 3HB LYS 41 33.175 27.333 19.548
30 HG2 LYS 41 2HG LYS 41 32.065 29.378 18.662
31 HG3 LYS 41 3HG LYS 41 31.254 29.601 20.220
32 HD2 LYS 41 2HD LYS 41 33.538 29.668 21.326
33 HD3 LYS 41 3HD LYS 41 34.258 29.618 19.708
34 HE2 LYS 41 2HE LYS 41 34.254 31.881 20.351
35 HE3 LYS 41 3HE LYS 41 32.948 31.722 19.156
36 HZ1 LYS 41 3HZ LYS 41 32.599 31.744 22.077
37 HZ2 LYS 41 1HZ LYS 41 31.392 31.648 20.961
38 HZ3 LYS 41 2HZ LYS 41 32.309 33.012 21.067
39 H GLY 42 H GLY 42 29.879 25.141 20.975
40 HA2 GLY 42 2HA GLY 42 29.664 22.781 20.443
41 HA3 GLY 42 3HA GLY 42 31.351 22.744 19.920
42 H LYS 43 H LYS 43 32.604 24.143 21.986
43 HA LYS 43 HA LYS 43 32.060 22.522 24.455
44 HB2 LYS 43 2HB LYS 43 34.683 23.758 23.514
45 HB3 LYS 43 3HB LYS 43 34.387 22.981 25.061
46 HG2 LYS 43 2HG LYS 43 35.454 21.332 23.942
47 HG3 LYS 43 3HG LYS 43 33.766 20.856 23.730
48 HD2 LYS 43 2HD LYS 43 33.776 21.719 21.434
49 HD3 LYS 43 3HD LYS 43 35.403 22.385 21.641
50 HE2 LYS 43 2HE LYS 43 34.696 19.423 21.834
51 HE3 LYS 43 3HE LYS 43 35.299 20.218 20.370
52 HZ1 LYS 43 3HZ LYS 43 37.052 19.158 21.547
53 HZ2 LYS 43 1HZ LYS 43 36.749 20.025 22.918
54 HZ3 LYS 43 2HZ LYS 43 37.291 20.784 21.555
55 H GLY 44 H GLY 44 32.601 25.741 23.092
56 HA2 GLY 44 2HA GLY 44 32.658 27.163 25.608
57 HA3 GLY 44 3HA GLY 44 32.538 27.853 23.991
58 H GLY 45 H GLY 45 30.076 25.534 24.406
59 HA2 GLY 45 2HA GLY 45 28.044 27.650 24.986
60 HA3 GLY 45 3HA GLY 45 27.809 26.239 23.953
61 H GLU 46 H GLU 46 26.141 26.975 26.105
62 HA GLU 46 HA GLU 46 26.586 25.126 28.314
63 HB2 GLU 46 2HB GLU 46 25.353 27.523 28.192
64 HB3 GLU 46 3HB GLU 46 23.970 26.523 27.768
65 HG2 GLU 46 2HG GLU 46 24.453 25.164 29.889
66 HG3 GLU 46 3HG GLU 46 25.704 26.349 30.271
67 H CYS 47 H CYS 47 24.863 23.519 28.898
68 HA CYS 47 HA CYS 47 23.189 22.555 26.659
69 HB2 CYS 47 2HB CYS 47 24.942 20.853 28.442
70 HB3 CYS 47 3HB CYS 47 23.630 20.239 27.433
71 H ASN 48 H ASN 48 21.241 22.915 27.246
72 HA ASN 48 HA ASN 48 20.298 22.504 30.030
73 HB2 ASN 48 2HB ASN 48 18.857 24.612 29.570
74 HB3 ASN 48 3HB ASN 48 20.539 24.798 30.033
75 HD21 ASN 48 2HD2 ASN 48 21.590 26.366 27.077
76 HD22 ASN 48 1HD2 ASN 48 22.012 25.629 28.614
77 HA PRO 49 HA PRO 49 16.952 20.398 28.038
78 HB2 PRO 49 3HB PRO 49 16.135 19.858 30.128
79 HB3 PRO 49 2HB PRO 49 14.772 20.912 29.640
80 HG2 PRO 49 2HG PRO 49 15.717 22.793 30.779
81 HG3 PRO 49 3HG PRO 49 16.116 21.454 31.907
82 HD2 PRO 49 2HD PRO 49 18.042 23.078 30.916
83 HD3 PRO 49 3HD PRO 49 18.341 21.325 31.107
84 H LEU 50 H LEU 50 15.061 20.663 26.815
85 HA LEU 50 HA LEU 50 14.823 23.030 25.253
86 HB2 LEU 50 2HB LEU 50 12.898 20.721 25.617
87 HB3 LEU 50 3HB LEU 50 12.931 21.828 24.250
88 HG LEU 50 HG LEU 50 15.361 20.088 24.896
89 HD11 LEU 50 1HD1 LEU 50 13.415 18.618 24.790
90 HD12 LEU 50 2HD1 LEU 50 14.463 18.392 23.377
91 HD13 LEU 50 3HD1 LEU 50 12.947 19.316 23.224
92 HD21 LEU 50 3HD2 LEU 50 15.658 21.937 23.270
93 HD22 LEU 50 1HD2 LEU 50 14.335 21.275 22.294
94 HD23 LEU 50 2HD2 LEU 50 15.832 20.343 22.519
95 H ASP 51 H ASP 51 13.187 21.868 28.107
96 HA ASP 51 HA ASP 51 10.891 23.474 28.282
97 HB2 ASP 51 2HB ASP 51 12.738 22.395 30.450
98 HB3 ASP 51 3HB ASP 51 11.140 23.073 30.749
99 H ARG 52 H ARG 52 14.261 24.472 28.788
100 HA ARG 52 HA ARG 52 13.658 26.835 30.352
101 HB2 ARG 52 2HB ARG 52 15.899 25.576 30.205
102 HB3 ARG 52 3HB ARG 52 16.095 26.252 28.592
103 HG2 ARG 52 2HG ARG 52 17.362 27.463 30.293
104 HG3 ARG 52 3HG ARG 52 16.146 28.534 29.586
105 HD2 ARG 52 2HD ARG 52 14.748 28.401 31.506
106 HD3 ARG 52 3HD ARG 52 15.581 26.959 32.130
107 HE ARG 52 HE ARG 52 17.570 28.753 32.091
108 HH11 ARG 52 1HH1 ARG 52 14.316 28.883 33.533
109 HH12 ARG 52 2HH1 ARG 52 14.838 29.891 34.868
110 HH21 ARG 52 2HH2 ARG 52 16.942 30.642 34.995
111 HH22 ARG 52 1HH2 ARG 52 18.166 30.145 33.844
112 H GLN 53 H GLN 53 13.574 29.113 29.565
113 HA GLN 53 HA GLN 53 12.903 29.452 26.781
114 HB2 GLN 53 2HB GLN 53 11.650 30.628 28.486
115 HB3 GLN 53 3HB GLN 53 13.121 31.379 29.140
116 HG2 GLN 53 2HG GLN 53 13.436 32.711 27.251
117 HG3 GLN 53 3HG GLN 53 12.503 31.630 26.210
118 HE21 GLN 53 2HE2 GLN 53 9.477 33.361 26.583
119 HE22 GLN 53 1HE2 GLN 53 10.363 32.059 25.815
120 H CYS 54 H CYS 54 14.619 29.125 25.520
121 HA CYS 54 HA CYS 54 16.885 30.979 25.582
122 HB2 CYS 54 2HB CYS 54 17.124 28.001 26.010
123 HB3 CYS 54 3HB CYS 54 18.348 28.806 25.066
124 H LYS 55 H LYS 55 18.152 30.762 23.615
125 HA LYS 55 HA LYS 55 16.644 30.405 21.185
126 HB2 LYS 55 2HB LYS 55 18.738 31.909 21.734
127 HB3 LYS 55 3HB LYS 55 19.671 30.455 21.406
128 HG2 LYS 55 2HG LYS 55 19.650 31.798 19.438
129 HG3 LYS 55 3HG LYS 55 18.625 30.402 19.088
130 HD2 LYS 55 2HD LYS 55 16.616 31.721 19.291
131 HD3 LYS 55 3HD LYS 55 17.476 33.036 20.102
132 HE2 LYS 55 2HE LYS 55 16.935 33.706 17.868
133 HE3 LYS 55 3HE LYS 55 18.695 33.564 18.030
134 HZ1 LYS 55 3HZ LYS 55 17.775 32.631 15.986
135 HZ2 LYS 55 1HZ LYS 55 16.987 31.475 16.861
136 HZ3 LYS 55 2HZ LYS 55 18.634 31.535 16.862
137 H GLU 56 H GLU 56 16.767 28.699 19.697
138 HA GLU 56 HA GLU 56 18.070 26.175 20.613
139 HB2 GLU 56 2HB GLU 56 15.643 26.213 21.106
140 HB3 GLU 56 3HB GLU 56 15.309 26.413 19.378
141 HG2 GLU 56 2HG GLU 56 16.534 24.258 18.939
142 HG3 GLU 56 3HG GLU 56 16.810 24.080 20.671
143 H LEU 57 H LEU 57 19.754 26.147 19.327
144 HA LEU 57 HA LEU 57 19.821 26.927 16.574
145 HB2 LEU 57 2HB LEU 57 21.654 25.520 18.529
146 HB3 LEU 57 3HB LEU 57 22.072 25.568 16.829
147 HG LEU 57 HG LEU 57 23.145 27.341 18.241
148 HD11 LEU 57 1HD1 LEU 57 21.432 28.252 15.897
149 HD12 LEU 57 2HD1 LEU 57 23.072 27.566 15.839
150 HD13 LEU 57 3HD1 LEU 57 22.799 29.152 16.556
151 HD21 LEU 57 3HD2 LEU 57 21.994 29.346 18.893
152 HD22 LEU 57 1HD2 LEU 57 21.211 27.963 19.673
153 HD23 LEU 57 2HD2 LEU 57 20.452 28.745 18.264
154 H GLN 58 H GLN 58 20.671 25.396 14.855
155 HA GLN 58 HA GLN 58 18.920 22.997 14.837
156 HB2 GLN 58 2HB GLN 58 18.749 23.320 12.448
157 HB3 GLN 58 3HB GLN 58 18.272 24.776 13.317
158 HG2 GLN 58 2HG GLN 58 20.370 25.891 12.761
159 HG3 GLN 58 3HG GLN 58 20.997 24.425 11.992
160 HE21 GLN 58 2HE2 GLN 58 19.104 24.798 8.997
161 HE22 GLN 58 1HE2 GLN 58 19.975 23.653 10.006
162 H ALA 59 H ALA 59 22.185 24.042 14.210
163 HA ALA 59 HA ALA 59 23.037 21.196 13.822
164 HB1 ALA 59 1HB ALA 59 23.321 22.570 11.802
165 HB2 ALA 59 2HB ALA 59 24.335 23.710 12.719
166 HB3 ALA 59 3HB ALA 59 24.876 22.036 12.461
167 H GLU 60 H GLU 60 22.827 23.404 16.174
168 HA GLU 60 HA GLU 60 25.416 22.677 17.448
169 HB2 GLU 60 2HB GLU 60 24.793 25.187 16.610
170 HB3 GLU 60 3HB GLU 60 24.025 25.204 18.194
171 HG2 GLU 60 2HG GLU 60 26.205 26.101 18.422
172 HG3 GLU 60 3HG GLU 60 26.182 24.528 19.235
173 H SER 61 H SER 61 21.923 22.724 17.714
174 HA SER 61 HA SER 61 21.677 22.346 20.560
175 HB2 SER 61 2HB SER 61 19.782 22.978 19.251
176 HB3 SER 61 3HB SER 61 19.952 21.561 18.177
177 HG SER 61 HG SER 61 18.359 21.272 19.737
178 H ALA 62 H ALA 62 22.229 20.201 17.749
179 HA ALA 62 HA ALA 62 22.074 17.703 19.094
180 HB1 ALA 62 1HB ALA 62 23.532 18.512 16.546
181 HB2 ALA 62 2HB ALA 62 23.101 16.856 17.028
182 HB3 ALA 62 3HB ALA 62 21.825 18.031 16.658
183 H SER 63 H SER 63 24.632 20.105 19.106
184 HA SER 63 HA SER 63 26.893 18.403 19.506
185 HB2 SER 63 2HB SER 63 26.410 21.246 20.471
186 HB3 SER 63 3HB SER 63 27.978 20.428 20.367
187 HG SER 63 HG SER 63 27.523 21.787 18.568
188 H CYS 64 H CYS 64 24.362 19.546 21.706
189 HA CYS 64 HA CYS 64 25.677 18.616 24.152
190 HB2 CYS 64 2HB CYS 64 22.855 19.528 23.479
191 HB3 CYS 64 3HB CYS 64 23.378 19.035 25.093
192 H GLY 65 H GLY 65 22.912 17.545 22.115
193 HA2 GLY 65 2HA GLY 65 23.067 14.979 21.702
194 HA3 GLY 65 3HA GLY 65 22.866 14.902 23.460
195 H LYS 66 H LYS 66 20.990 13.604 22.203
196 HA LYS 66 HA LYS 66 18.698 15.110 21.370
197 HB2 LYS 66 2HB LYS 66 17.499 13.036 21.444
198 HB3 LYS 66 3HB LYS 66 19.077 12.820 20.681
199 HG2 LYS 66 2HG LYS 66 19.940 11.770 22.774
200 HG3 LYS 66 3HG LYS 66 18.363 12.013 23.525
201 HD2 LYS 66 2HD LYS 66 18.455 9.780 22.927
202 HD3 LYS 66 3HD LYS 66 17.333 10.514 21.791
203 HE2 LYS 66 2HE LYS 66 20.275 10.050 21.113
204 HE3 LYS 66 3HE LYS 66 19.069 8.775 20.947
205 HZ1 LYS 66 3HZ LYS 66 19.318 9.857 18.876
206 HZ2 LYS 66 1HZ LYS 66 19.031 11.346 19.518
207 HZ3 LYS 66 2HZ LYS 66 17.828 10.222 19.467
208 H GLY 67 H GLY 67 17.032 15.957 22.487
209 HA2 GLY 67 2HA GLY 67 15.598 16.399 24.252
210 HA3 GLY 67 3HA GLY 67 16.548 15.374 25.321
211 H GLN 68 H GLN 68 18.778 17.442 23.865
212 HA GLN 68 HA GLN 68 18.368 19.670 25.803
213 HB2 GLN 68 2HB GLN 68 21.059 18.481 25.013
214 HB3 GLN 68 3HB GLN 68 20.771 19.844 26.084
215 HG2 GLN 68 2HG GLN 68 21.239 18.169 27.573
216 HG3 GLN 68 3HG GLN 68 19.475 18.216 27.600
217 HE21 GLN 68 2HE2 GLN 68 19.478 14.713 27.069
218 HE22 GLN 68 1HE2 GLN 68 18.867 16.077 27.985
219 H LYS 69 H LYS 69 19.463 21.661 25.140
220 HA LYS 69 HA LYS 69 20.187 21.936 22.293
221 HB2 LYS 69 2HB LYS 69 18.824 24.022 22.199
222 HB3 LYS 69 3HB LYS 69 17.850 22.564 22.375
223 HG2 LYS 69 2HG LYS 69 17.431 22.987 24.716
224 HG3 LYS 69 3HG LYS 69 18.682 24.248 24.776
225 HD2 LYS 69 2HD LYS 69 17.322 25.641 23.221
226 HD3 LYS 69 3HD LYS 69 16.049 24.392 23.267
227 HE2 LYS 69 2HE LYS 69 15.984 24.606 25.757
228 HE3 LYS 69 3HE LYS 69 17.195 25.895 25.669
229 HZ1 LYS 69 3HZ LYS 69 15.653 27.164 24.362
230 HZ2 LYS 69 1HZ LYS 69 14.965 26.722 25.806
231 HZ3 LYS 69 2HZ LYS 69 14.541 25.946 24.418
232 H CYS 70 H CYS 70 20.925 24.373 22.022
233 HA CYS 70 HA CYS 70 22.887 24.925 24.201
234 HB2 CYS 70 2HB CYS 70 23.763 23.806 22.092
235 HB3 CYS 70 3HB CYS 70 23.538 25.365 21.284
236 H CYS 71 H CYS 71 22.363 26.692 25.184
237 HA CYS 71 HA CYS 71 20.688 28.785 24.018
238 HB2 CYS 71 2HB CYS 71 20.533 27.830 26.342
239 HB3 CYS 71 3HB CYS 71 22.065 28.613 26.728
240 H VAL 72 H VAL 72 21.340 31.136 24.318
241 HA VAL 72 HA VAL 72 24.252 31.686 24.298
242 HB VAL 72 HB VAL 72 23.859 33.470 22.681
243 HG11 VAL 72 1HG1 VAL 72 24.778 31.229 21.967
244 HG12 VAL 72 2HG1 VAL 72 23.138 30.738 21.521
245 HG13 VAL 72 3HG1 VAL 72 23.921 32.081 20.672
246 HG21 VAL 72 3HG2 VAL 72 21.429 33.817 22.852
247 HG22 VAL 72 1HG2 VAL 72 21.929 33.493 21.189
248 HG23 VAL 72 2HG2 VAL 72 21.143 32.219 22.141
249 H TRP 73 H TRP 73 24.844 33.497 25.313
250 HA TRP 73 HA TRP 73 23.083 34.680 27.298
251 HB2 TRP 73 2HB TRP 73 25.193 36.037 27.741
252 HB3 TRP 73 3HB TRP 73 25.288 34.302 27.960
253 HD1 TRP 73 HD1 TRP 73 26.174 36.841 25.192
254 HE1 TRP 73 HE1 TRP 73 28.330 36.092 24.011
255 HE3 TRP 73 HE3 TRP 73 26.846 32.375 27.549
256 HZ2 TRP 73 HZ2 TRP 73 30.153 33.840 24.127
257 HZ3 TRP 73 HZ3 TRP 73 28.791 30.926 26.978
258 HH2 TRP 73 HH2 TRP 73 30.443 31.663 25.284
259 H LEU 74 H LEU 74 23.782 35.362 24.026
260 HA LEU 74 HA LEU 74 23.584 37.094 22.617
261 HB2 LEU 74 2HB LEU 74 21.250 36.153 23.225
262 HB3 LEU 74 3HB LEU 74 20.976 37.669 24.041
263 HG LEU 74 HG LEU 74 19.974 37.687 21.869
264 HD11 LEU 74 1HD1 LEU 74 22.430 39.469 21.654
265 HD12 LEU 74 2HD1 LEU 74 20.940 39.856 22.548
266 HD13 LEU 74 3HD1 LEU 74 20.894 39.655 20.792
267 HD21 LEU 74 3HD2 LEU 74 21.416 35.965 20.800
268 HD22 LEU 74 1HD2 LEU 74 22.682 37.198 20.587
269 HD23 LEU 74 2HD2 LEU 74 21.123 37.379 19.774
270 H HIS 75 H HIS 75 25.425 38.149 23.587
271 HA HIS 75 HA HIS 75 24.982 40.483 25.289
272 HB2 HIS 75 2HB HIS 75 27.391 40.670 25.309
273 HB3 HIS 75 3HB HIS 75 26.856 39.073 25.766
274 HD1 HIS 75 HD1 HIS 75 29.614 38.758 25.198
275 HD2 HIS 75 HD2 HIS 75 26.879 39.125 22.002
276 HE1 HIS 75 HE1 HIS 75 30.785 37.846 23.103
277 HE2 HIS 75 HE2 HIS 75 29.105 38.076 21.174
Start of MODEL 3
1 H1 LEU 37 H LEU 37 34.697 25.095 14.065
2 HA LEU 37 HA LEU 37 34.227 25.946 11.923
3 HB2 LEU 37 2HB LEU 37 33.023 24.786 10.259
4 HB3 LEU 37 3HB LEU 37 34.355 23.790 10.786
5 HG LEU 37 HG LEU 37 32.410 22.758 12.394
6 HD11 LEU 37 1HD1 LEU 37 30.330 22.503 11.139
7 HD12 LEU 37 2HD1 LEU 37 30.984 23.471 9.803
8 HD13 LEU 37 3HD1 LEU 37 30.629 24.231 11.357
9 HD21 LEU 37 3HD2 LEU 37 32.208 20.918 10.748
10 HD22 LEU 37 1HD2 LEU 37 33.878 21.462 10.947
11 HD23 LEU 37 2HD2 LEU 37 32.952 21.938 9.511
12 H THR 38 H THR 38 32.149 24.176 14.186
13 HA THR 38 HA THR 38 30.114 26.337 14.025
14 HB THR 38 HB THR 38 29.414 24.062 13.300
15 HG1 THR 38 1HG THR 38 27.561 24.027 14.705
16 HG21 THR 38 1HG2 THR 38 30.756 22.681 14.886
17 HG22 THR 38 2HG2 THR 38 29.039 22.287 14.912
18 HG23 THR 38 3HG2 THR 38 29.736 23.261 16.219
19 H GLY 39 H GLY 39 28.900 26.628 16.187
20 HA2 GLY 39 2HA GLY 39 30.207 26.114 18.668
21 HA3 GLY 39 3HA GLY 39 30.755 27.670 18.055
22 H CYS 40 H CYS 40 28.353 26.019 19.765
23 HA CYS 40 HA CYS 40 26.020 27.522 19.585
24 HB2 CYS 40 2HB CYS 40 26.501 25.366 20.794
25 HB3 CYS 40 3HB CYS 40 27.237 26.288 22.075
26 H LYS 41 H LYS 41 28.852 28.102 21.732
27 HA LYS 41 HA LYS 41 28.059 30.985 21.888
28 HB2 LYS 41 2HB LYS 41 29.176 29.394 24.216
29 HB3 LYS 41 3HB LYS 41 28.871 31.118 24.168
30 HG2 LYS 41 2HG LYS 41 26.955 30.520 25.224
31 HG3 LYS 41 3HG LYS 41 26.402 30.369 23.571
32 HD2 LYS 41 2HD LYS 41 25.673 28.337 24.553
33 HD3 LYS 41 3HD LYS 41 27.178 27.842 23.804
34 HE2 LYS 41 2HE LYS 41 27.216 26.896 25.953
35 HE3 LYS 41 3HE LYS 41 28.307 28.286 26.064
36 HZ1 LYS 41 3HZ LYS 41 26.498 29.519 27.067
37 HZ2 LYS 41 1HZ LYS 41 26.815 28.155 27.931
38 HZ3 LYS 41 2HZ LYS 41 25.494 28.216 26.949
39 H GLY 42 H GLY 42 30.746 28.615 21.840
40 HA2 GLY 42 2HA GLY 42 32.522 29.817 20.316
41 HA3 GLY 42 3HA GLY 42 32.745 30.803 21.761
42 H LYS 43 H LYS 43 32.070 27.685 22.955
43 HA LYS 43 HA LYS 43 34.920 26.884 22.935
44 HB2 LYS 43 2HB LYS 43 34.264 27.899 25.067
45 HB3 LYS 43 3HB LYS 43 32.875 26.813 25.186
46 HG2 LYS 43 2HG LYS 43 34.287 24.880 25.374
47 HG3 LYS 43 3HG LYS 43 35.717 25.822 24.944
48 HD2 LYS 43 2HD LYS 43 35.845 25.397 27.273
49 HD3 LYS 43 3HD LYS 43 35.500 27.107 27.086
50 HE2 LYS 43 2HE LYS 43 33.373 24.996 27.691
51 HE3 LYS 43 3HE LYS 43 34.276 25.867 28.934
52 HZ1 LYS 43 3HZ LYS 43 32.485 27.075 26.949
53 HZ2 LYS 43 1HZ LYS 43 33.413 27.927 28.010
54 HZ3 LYS 43 2HZ LYS 43 32.218 26.935 28.566
55 H GLY 44 H GLY 44 31.580 25.712 23.529
56 HA2 GLY 44 2HA GLY 44 31.708 23.725 21.485
57 HA3 GLY 44 3HA GLY 44 31.870 22.969 23.082
58 H GLY 45 H GLY 45 30.275 24.445 24.687
59 HA2 GLY 45 2HA GLY 45 27.963 25.439 24.626
60 HA3 GLY 45 3HA GLY 45 27.509 24.055 23.626
61 H GLU 46 H GLU 46 25.920 23.966 25.530
62 HA GLU 46 HA GLU 46 26.867 21.769 27.244
63 HB2 GLU 46 2HB GLU 46 25.292 24.172 28.271
64 HB3 GLU 46 3HB GLU 46 25.429 22.632 29.125
65 HG2 GLU 46 2HG GLU 46 27.933 22.885 29.105
66 HG3 GLU 46 3HG GLU 46 27.717 24.520 28.459
67 H CYS 47 H CYS 47 24.979 20.585 28.148
68 HA CYS 47 HA CYS 47 22.844 20.325 26.074
69 HB2 CYS 47 2HB CYS 47 24.350 18.192 27.631
70 HB3 CYS 47 3HB CYS 47 23.058 17.898 26.473
71 H ASN 48 H ASN 48 21.840 21.908 27.615
72 HA ASN 48 HA ASN 48 20.881 21.001 30.193
73 HB2 ASN 48 2HB ASN 48 20.303 23.380 28.375
74 HB3 ASN 48 3HB ASN 48 19.365 23.103 29.831
75 HD21 ASN 48 2HD2 ASN 48 23.292 24.309 30.214
76 HD22 ASN 48 1HD2 ASN 48 22.710 23.743 28.661
77 HA PRO 49 HA PRO 49 17.084 19.033 28.780
78 HB2 PRO 49 3HB PRO 49 16.837 18.370 31.007
79 HB3 PRO 49 2HB PRO 49 15.398 19.431 30.883
80 HG2 PRO 49 2HG PRO 49 16.574 21.261 31.890
81 HG3 PRO 49 3HG PRO 49 17.241 19.880 32.816
82 HD2 PRO 49 2HD PRO 49 18.836 21.619 31.430
83 HD3 PRO 49 3HD PRO 49 19.244 19.891 31.575
84 H LEU 50 H LEU 50 14.963 19.551 28.000
85 HA LEU 50 HA LEU 50 14.634 22.103 26.818
86 HB2 LEU 50 2HB LEU 50 12.674 19.848 27.385
87 HB3 LEU 50 3HB LEU 50 12.316 21.199 26.318
88 HG LEU 50 HG LEU 50 14.749 19.433 25.820
89 HD11 LEU 50 1HD1 LEU 50 12.796 17.984 26.014
90 HD12 LEU 50 2HD1 LEU 50 13.352 18.075 24.326
91 HD13 LEU 50 3HD1 LEU 50 11.906 18.983 24.840
92 HD21 LEU 50 3HD2 LEU 50 14.537 20.252 23.548
93 HD22 LEU 50 1HD2 LEU 50 14.572 21.634 24.651
94 HD23 LEU 50 2HD2 LEU 50 13.029 21.110 23.950
95 H ASP 51 H ASP 51 13.331 20.722 29.782
96 HA ASP 51 HA ASP 51 11.431 22.711 30.465
97 HB2 ASP 51 2HB ASP 51 13.093 20.936 32.287
98 HB3 ASP 51 3HB ASP 51 11.635 21.814 32.754
99 H ARG 52 H ARG 52 14.873 23.072 30.422
100 HA ARG 52 HA ARG 52 15.174 25.050 32.484
101 HB2 ARG 52 2HB ARG 52 17.014 23.701 31.342
102 HB3 ARG 52 3HB ARG 52 16.767 24.690 29.904
103 HG2 ARG 52 2HG ARG 52 18.642 25.541 31.068
104 HG3 ARG 52 3HG ARG 52 17.345 26.724 31.323
105 HD2 ARG 52 2HD ARG 52 16.997 25.990 33.583
106 HD3 ARG 52 3HD ARG 52 17.835 24.463 33.302
107 HE ARG 52 HE ARG 52 19.851 25.412 33.614
108 HH11 ARG 52 1HH1 ARG 52 17.468 28.065 33.512
109 HH12 ARG 52 2HH1 ARG 52 18.659 29.274 33.945
110 HH21 ARG 52 2HH2 ARG 52 20.805 28.693 34.365
111 HH22 ARG 52 1HH2 ARG 52 21.321 27.023 34.249
112 H GLN 53 H GLN 53 14.767 27.206 32.440
113 HA GLN 53 HA GLN 53 13.449 28.487 30.178
114 HB2 GLN 53 2HB GLN 53 14.380 29.467 32.899
115 HB3 GLN 53 3HB GLN 53 13.779 30.567 31.669
116 HG2 GLN 53 2HG GLN 53 12.187 28.193 32.725
117 HG3 GLN 53 3HG GLN 53 12.043 29.844 33.327
118 HE21 GLN 53 2HE2 GLN 53 9.854 28.821 30.123
119 HE22 GLN 53 1HE2 GLN 53 10.585 27.685 31.238
120 H CYS 54 H CYS 54 14.885 28.213 28.525
121 HA CYS 54 HA CYS 54 16.862 30.296 28.222
122 HB2 CYS 54 2HB CYS 54 18.038 28.336 29.390
123 HB3 CYS 54 3HB CYS 54 17.805 27.419 27.900
124 H LYS 55 H LYS 55 17.900 29.978 25.985
125 HA LYS 55 HA LYS 55 15.808 29.762 23.990
126 HB2 LYS 55 2HB LYS 55 18.014 31.297 24.155
127 HB3 LYS 55 3HB LYS 55 18.713 29.943 23.276
128 HG2 LYS 55 2HG LYS 55 18.060 31.656 21.736
129 HG3 LYS 55 3HG LYS 55 16.996 30.276 21.472
130 HD2 LYS 55 2HD LYS 55 15.169 31.400 22.695
131 HD3 LYS 55 3HD LYS 55 16.266 32.699 23.179
132 HE2 LYS 55 2HE LYS 55 14.889 33.492 21.381
133 HE3 LYS 55 3HE LYS 55 16.553 33.334 20.799
134 HZ1 LYS 55 3HZ LYS 55 14.953 32.504 19.237
135 HZ2 LYS 55 1HZ LYS 55 14.389 31.403 20.321
136 HZ3 LYS 55 2HZ LYS 55 15.938 31.285 19.745
137 H GLU 56 H GLU 56 16.464 28.565 21.856
138 HA GLU 56 HA GLU 56 17.587 25.867 22.303
139 HB2 GLU 56 2HB GLU 56 15.204 25.694 22.748
140 HB3 GLU 56 3HB GLU 56 14.801 26.520 21.238
141 HG2 GLU 56 2HG GLU 56 15.594 24.657 19.919
142 HG3 GLU 56 3HG GLU 56 16.287 23.867 21.341
143 H LEU 57 H LEU 57 18.243 24.857 20.370
144 HA LEU 57 HA LEU 57 18.416 26.481 17.893
145 HB2 LEU 57 2HB LEU 57 20.654 24.950 19.300
146 HB3 LEU 57 3HB LEU 57 20.796 25.537 17.650
147 HG LEU 57 HG LEU 57 20.385 27.255 20.099
148 HD11 LEU 57 1HD1 LEU 57 22.627 26.336 20.099
149 HD12 LEU 57 2HD1 LEU 57 22.653 28.054 19.702
150 HD13 LEU 57 3HD1 LEU 57 22.852 26.838 18.408
151 HD21 LEU 57 3HD2 LEU 57 19.426 28.356 18.097
152 HD22 LEU 57 1HD2 LEU 57 20.940 28.106 17.201
153 HD23 LEU 57 2HD2 LEU 57 20.885 29.210 18.577
154 H GLN 58 H GLN 58 19.511 24.828 16.196
155 HA GLN 58 HA GLN 58 18.044 22.249 16.338
156 HB2 GLN 58 2HB GLN 58 17.370 22.484 14.027
157 HB3 GLN 58 3HB GLN 58 16.806 23.849 15.004
158 HG2 GLN 58 2HG GLN 58 18.536 25.305 14.084
159 HG3 GLN 58 3HG GLN 58 19.206 23.961 13.147
160 HE21 GLN 58 2HE2 GLN 58 17.225 24.969 10.417
161 HE22 GLN 58 1HE2 GLN 58 18.795 24.482 11.026
162 H ALA 59 H ALA 59 20.831 24.021 15.012
163 HA ALA 59 HA ALA 59 22.135 21.634 13.986
164 HB1 ALA 59 1HB ALA 59 24.024 23.138 13.620
165 HB2 ALA 59 2HB ALA 59 22.529 23.907 13.065
166 HB3 ALA 59 3HB ALA 59 23.259 24.399 14.610
167 H GLU 60 H GLU 60 22.470 23.698 16.961
168 HA GLU 60 HA GLU 60 24.547 21.952 18.057
169 HB2 GLU 60 2HB GLU 60 23.055 24.397 19.028
170 HB3 GLU 60 3HB GLU 60 24.256 23.583 20.012
171 HG2 GLU 60 2HG GLU 60 24.832 24.750 17.253
172 HG3 GLU 60 3HG GLU 60 25.118 25.584 18.770
173 H SER 61 H SER 61 21.051 22.311 18.309
174 HA SER 61 HA SER 61 20.756 20.663 20.682
175 HB2 SER 61 2HB SER 61 19.155 22.451 19.931
176 HB3 SER 61 3HB SER 61 18.714 21.410 18.560
177 HG SER 61 HG SER 61 18.227 19.801 20.231
178 H ALA 62 H ALA 62 21.774 19.908 17.577
179 HA ALA 62 HA ALA 62 20.635 17.160 17.561
180 HB1 ALA 62 1HB ALA 62 22.087 18.703 15.387
181 HB2 ALA 62 2HB ALA 62 21.406 17.071 15.240
182 HB3 ALA 62 3HB ALA 62 20.329 18.443 15.509
183 H SER 63 H SER 63 22.987 18.479 19.228
184 HA SER 63 HA SER 63 25.111 16.511 18.569
185 HB2 SER 63 2HB SER 63 25.380 18.983 17.849
186 HB3 SER 63 3HB SER 63 25.575 19.344 19.568
187 HG SER 63 HG SER 63 27.293 17.761 19.545
188 H CYS 64 H CYS 64 22.876 16.762 20.804
189 HA CYS 64 HA CYS 64 24.672 16.460 23.187
190 HB2 CYS 64 2HB CYS 64 22.224 18.113 22.694
191 HB3 CYS 64 3HB CYS 64 22.488 17.504 24.305
192 H GLY 65 H GLY 65 22.068 14.942 21.413
193 HA2 GLY 65 2HA GLY 65 21.792 12.552 22.066
194 HA3 GLY 65 3HA GLY 65 21.513 13.110 23.715
195 H LYS 66 H LYS 66 19.438 12.974 24.244
196 HA LYS 66 HA LYS 66 17.303 13.909 22.403
197 HB2 LYS 66 2HB LYS 66 17.327 11.340 24.048
198 HB3 LYS 66 3HB LYS 66 15.913 11.973 23.231
199 HG2 LYS 66 2HG LYS 66 18.480 11.097 21.833
200 HG3 LYS 66 3HG LYS 66 17.067 10.088 22.030
201 HD2 LYS 66 2HD LYS 66 17.066 12.727 20.495
202 HD3 LYS 66 3HD LYS 66 17.263 11.143 19.760
203 HE2 LYS 66 2HE LYS 66 14.812 11.971 21.368
204 HE3 LYS 66 3HE LYS 66 14.953 12.064 19.605
205 HZ1 LYS 66 3HZ LYS 66 15.292 9.690 19.558
206 HZ2 LYS 66 1HZ LYS 66 13.863 10.048 20.303
207 HZ3 LYS 66 2HZ LYS 66 15.172 9.592 21.192
208 H GLY 67 H GLY 67 15.472 14.762 23.455
209 HA2 GLY 67 2HA GLY 67 14.277 15.815 25.090
210 HA3 GLY 67 3HA GLY 67 15.143 14.872 26.304
211 H GLN 68 H GLN 68 17.113 16.814 24.121
212 HA GLN 68 HA GLN 68 17.749 18.683 26.304
213 HB2 GLN 68 2HB GLN 68 20.084 18.534 25.343
214 HB3 GLN 68 3HB GLN 68 19.459 17.150 26.215
215 HG2 GLN 68 2HG GLN 68 20.632 16.427 24.265
216 HG3 GLN 68 3HG GLN 68 18.957 15.974 24.179
217 HE21 GLN 68 2HE2 GLN 68 18.841 17.198 20.854
218 HE22 GLN 68 1HE2 GLN 68 18.562 15.856 21.945
219 H LYS 69 H LYS 69 19.120 20.524 25.462
220 HA LYS 69 HA LYS 69 19.109 21.197 22.727
221 HB2 LYS 69 2HB LYS 69 18.121 23.539 22.994
222 HB3 LYS 69 3HB LYS 69 17.032 22.179 22.848
223 HG2 LYS 69 2HG LYS 69 16.143 23.698 24.432
224 HG3 LYS 69 3HG LYS 69 16.580 22.203 25.260
225 HD2 LYS 69 2HD LYS 69 18.552 23.248 26.219
226 HD3 LYS 69 3HD LYS 69 18.227 24.764 25.353
227 HE2 LYS 69 2HE LYS 69 16.241 23.423 27.234
228 HE3 LYS 69 3HE LYS 69 17.450 24.565 27.799
229 HZ1 LYS 69 3HZ LYS 69 16.466 26.187 26.250
230 HZ2 LYS 69 1HZ LYS 69 15.408 25.680 27.420
231 HZ3 LYS 69 2HZ LYS 69 15.284 25.100 25.887
232 H CYS 70 H CYS 70 20.343 23.330 22.385
233 HA CYS 70 HA CYS 70 22.484 23.510 24.426
234 HB2 CYS 70 2HB CYS 70 23.076 23.107 22.029
235 HB3 CYS 70 3HB CYS 70 22.527 24.758 21.682
236 H CYS 71 H CYS 71 22.167 24.915 25.957
237 HA CYS 71 HA CYS 71 20.434 27.261 25.656
238 HB2 CYS 71 2HB CYS 71 20.306 25.964 27.687
239 HB3 CYS 71 3HB CYS 71 22.047 26.087 27.943
240 H VAL 72 H VAL 72 21.084 29.291 25.378
241 HA VAL 72 HA VAL 72 23.960 30.057 25.506
242 HB VAL 72 HB VAL 72 23.438 31.747 23.789
243 HG11 VAL 72 1HG1 VAL 72 23.442 30.268 21.834
244 HG12 VAL 72 2HG1 VAL 72 24.429 29.553 23.111
245 HG13 VAL 72 3HG1 VAL 72 22.809 28.921 22.801
246 HG21 VAL 72 3HG2 VAL 72 20.852 30.231 23.271
247 HG22 VAL 72 1HG2 VAL 72 20.914 31.812 24.070
248 HG23 VAL 72 2HG2 VAL 72 21.453 31.647 22.397
249 H TRP 73 H TRP 73 24.435 31.915 26.606
250 HA TRP 73 HA TRP 73 22.589 32.769 28.625
251 HB2 TRP 73 2HB TRP 73 24.464 34.466 29.060
252 HB3 TRP 73 3HB TRP 73 24.791 32.762 29.272
253 HD1 TRP 73 HD1 TRP 73 25.342 35.359 26.428
254 HE1 TRP 73 HE1 TRP 73 27.611 34.954 25.370
255 HE3 TRP 73 HE3 TRP 73 26.681 31.199 29.061
256 HZ2 TRP 73 HZ2 TRP 73 29.813 33.076 25.675
257 HZ3 TRP 73 HZ3 TRP 73 28.891 30.121 28.668
258 HH2 TRP 73 HH2 TRP 73 30.457 31.058 26.994
259 H LEU 74 H LEU 74 23.543 34.099 25.515
260 HA LEU 74 HA LEU 74 22.111 36.622 25.853
261 HB2 LEU 74 2HB LEU 74 22.811 37.012 23.505
262 HB3 LEU 74 3HB LEU 74 24.101 36.678 24.634
263 HG LEU 74 HG LEU 74 24.153 34.267 23.742
264 HD11 LEU 74 1HD1 LEU 74 22.481 35.530 21.521
265 HD12 LEU 74 2HD1 LEU 74 22.006 34.158 22.548
266 HD13 LEU 74 3HD1 LEU 74 23.331 33.976 21.402
267 HD21 LEU 74 3HD2 LEU 74 25.843 35.961 23.196
268 HD22 LEU 74 1HD2 LEU 74 24.827 36.569 21.870
269 HD23 LEU 74 2HD2 LEU 74 25.512 34.928 21.797
270 H HIS 75 H HIS 75 20.532 37.277 24.062
271 HA HIS 75 HA HIS 75 18.341 35.322 23.977
272 HB2 HIS 75 2HB HIS 75 17.919 37.656 24.648
273 HB3 HIS 75 3HB HIS 75 18.498 38.223 23.078
274 HD1 HIS 75 HD1 HIS 75 15.869 35.503 24.063
275 HD2 HIS 75 HD2 HIS 75 16.469 38.874 21.590
276 HE1 HIS 75 HE1 HIS 75 13.729 35.786 22.658
277 HE2 HIS 75 HE2 HIS 75 14.103 37.831 21.163
Start of MODEL 4
1 H1 LEU 37 H LEU 37 29.278 32.918 16.723
2 HA LEU 37 HA LEU 37 29.889 33.053 14.438
3 HB2 LEU 37 2HB LEU 37 31.699 31.387 14.529
4 HB3 LEU 37 3HB LEU 37 30.529 30.099 14.740
5 HG LEU 37 HG LEU 37 29.543 30.699 12.495
6 HD11 LEU 37 1HD1 LEU 37 30.343 33.057 12.295
7 HD12 LEU 37 2HD1 LEU 37 30.945 32.085 10.955
8 HD13 LEU 37 3HD1 LEU 37 32.017 32.492 12.298
9 HD21 LEU 37 3HD2 LEU 37 32.494 29.944 12.539
10 HD22 LEU 37 1HD2 LEU 37 31.369 29.652 11.199
11 HD23 LEU 37 2HD2 LEU 37 31.134 28.831 12.743
12 H THR 38 H THR 38 28.492 29.880 15.257
13 HA THR 38 HA THR 38 25.930 30.740 13.996
14 HB THR 38 HB THR 38 27.129 27.967 14.292
15 HG1 THR 38 1HG THR 38 27.484 28.221 12.071
16 HG21 THR 38 1HG2 THR 38 25.430 27.305 12.623
17 HG22 THR 38 2HG2 THR 38 24.676 28.911 12.748
18 HG23 THR 38 3HG2 THR 38 24.697 27.807 14.149
19 H GLY 39 H GLY 39 27.283 29.465 16.985
20 HA2 GLY 39 2HA GLY 39 25.422 30.558 18.612
21 HA3 GLY 39 3HA GLY 39 24.698 28.988 18.273
22 H CYS 40 H CYS 40 27.350 27.598 18.114
23 HA CYS 40 HA CYS 40 28.356 27.717 20.894
24 HB2 CYS 40 2HB CYS 40 26.996 25.348 19.580
25 HB3 CYS 40 3HB CYS 40 28.132 25.182 20.910
26 H LYS 41 H LYS 41 30.158 25.991 21.112
27 HA LYS 41 HA LYS 41 31.842 25.771 18.658
28 HB2 LYS 41 2HB LYS 41 32.635 26.859 21.387
29 HB3 LYS 41 3HB LYS 41 33.799 26.352 20.150
30 HG2 LYS 41 2HG LYS 41 33.068 28.062 18.621
31 HG3 LYS 41 3HG LYS 41 31.730 28.512 19.674
32 HD2 LYS 41 2HD LYS 41 33.472 30.142 19.950
33 HD3 LYS 41 3HD LYS 41 33.336 29.208 21.441
34 HE2 LYS 41 2HE LYS 41 35.653 29.530 21.005
35 HE3 LYS 41 3HE LYS 41 35.303 27.817 20.696
36 HZ1 LYS 41 3HZ LYS 41 36.675 28.738 19.027
37 HZ2 LYS 41 1HZ LYS 41 35.579 29.923 18.673
38 HZ3 LYS 41 2HZ LYS 41 35.216 28.343 18.360
39 H GLY 42 H GLY 42 30.519 24.241 21.423
40 HA2 GLY 42 2HA GLY 42 30.524 21.895 21.612
41 HA3 GLY 42 3HA GLY 42 32.174 21.822 21.011
42 H LYS 43 H LYS 43 32.924 24.180 22.877
43 HA LYS 43 HA LYS 43 32.665 22.919 25.554
44 HB2 LYS 43 2HB LYS 43 35.279 23.939 24.366
45 HB3 LYS 43 3HB LYS 43 34.978 23.488 26.039
46 HG2 LYS 43 2HG LYS 43 35.959 21.608 25.376
47 HG3 LYS 43 3HG LYS 43 34.295 21.157 25.037
48 HD2 LYS 43 2HD LYS 43 34.664 21.700 22.601
49 HD3 LYS 43 3HD LYS 43 36.320 22.218 22.969
50 HE2 LYS 43 2HE LYS 43 36.853 19.964 23.789
51 HE3 LYS 43 3HE LYS 43 35.183 19.441 23.414
52 HZ1 LYS 43 3HZ LYS 43 35.608 19.891 21.148
53 HZ2 LYS 43 1HZ LYS 43 36.738 18.847 21.754
54 HZ3 LYS 43 2HZ LYS 43 37.138 20.427 21.477
55 H GLY 44 H GLY 44 32.796 25.831 23.602
56 HA2 GLY 44 2HA GLY 44 33.136 27.721 25.746
57 HA3 GLY 44 3HA GLY 44 32.570 28.040 24.104
58 H GLY 45 H GLY 45 30.550 25.701 25.058
59 HA2 GLY 45 2HA GLY 45 28.638 27.273 26.685
60 HA3 GLY 45 3HA GLY 45 28.119 26.617 25.118
61 H GLU 46 H GLU 46 26.581 25.569 26.810
62 HA GLU 46 HA GLU 46 27.748 23.035 27.880
63 HB2 GLU 46 2HB GLU 46 25.856 25.027 29.200
64 HB3 GLU 46 3HB GLU 46 26.096 23.367 29.780
65 HG2 GLU 46 2HG GLU 46 28.498 23.790 30.062
66 HG3 GLU 46 3HG GLU 46 28.284 25.461 29.508
67 H CYS 47 H CYS 47 26.599 21.258 27.828
68 HA CYS 47 HA CYS 47 24.258 21.069 26.080
69 HB2 CYS 47 2HB CYS 47 26.046 19.028 27.434
70 HB3 CYS 47 3HB CYS 47 24.623 18.609 26.484
71 H ASN 48 H ASN 48 22.632 21.979 27.218
72 HA ASN 48 HA ASN 48 21.858 20.992 29.916
73 HB2 ASN 48 2HB ASN 48 21.048 23.371 28.194
74 HB3 ASN 48 3HB ASN 48 20.219 22.959 29.686
75 HD21 ASN 48 2HD2 ASN 48 23.791 24.893 29.876
76 HD22 ASN 48 1HD2 ASN 48 23.094 24.426 28.335
77 HA PRO 49 HA PRO 49 18.619 18.519 28.173
78 HB2 PRO 49 3HB PRO 49 17.833 17.994 30.233
79 HB3 PRO 49 2HB PRO 49 16.406 18.954 29.748
80 HG2 PRO 49 2HG PRO 49 17.231 20.899 30.849
81 HG3 PRO 49 3HG PRO 49 17.784 19.617 31.983
82 HD2 PRO 49 2HD PRO 49 19.537 21.372 30.941
83 HD3 PRO 49 3HD PRO 49 19.979 19.652 31.110
84 H LEU 50 H LEU 50 16.561 18.514 27.043
85 HA LEU 50 HA LEU 50 16.026 20.750 25.342
86 HB2 LEU 50 2HB LEU 50 14.366 18.321 26.070
87 HB3 LEU 50 3HB LEU 50 14.016 19.373 24.706
88 HG LEU 50 HG LEU 50 16.709 17.958 24.940
89 HD11 LEU 50 1HD1 LEU 50 15.768 16.136 23.596
90 HD12 LEU 50 2HD1 LEU 50 14.153 16.889 23.684
91 HD13 LEU 50 3HD1 LEU 50 14.942 16.288 25.162
92 HD21 LEU 50 3HD2 LEU 50 15.147 18.980 22.546
93 HD22 LEU 50 1HD2 LEU 50 16.731 18.176 22.514
94 HD23 LEU 50 2HD2 LEU 50 16.565 19.761 23.288
95 H ASP 51 H ASP 51 14.663 19.647 28.380
96 HA ASP 51 HA ASP 51 12.435 21.313 28.733
97 HB2 ASP 51 2HB ASP 51 14.425 20.283 30.803
98 HB3 ASP 51 3HB ASP 51 12.796 20.851 31.146
99 H ARG 52 H ARG 52 15.796 22.278 28.726
100 HA ARG 52 HA ARG 52 15.742 24.519 30.496
101 HB2 ARG 52 2HB ARG 52 17.728 23.319 29.556
102 HB3 ARG 52 3HB ARG 52 17.453 24.154 28.028
103 HG2 ARG 52 2HG ARG 52 19.143 25.264 29.367
104 HG3 ARG 52 3HG ARG 52 17.757 26.331 29.173
105 HD2 ARG 52 2HD ARG 52 17.871 24.524 31.609
106 HD3 ARG 52 3HD ARG 52 18.954 25.880 31.550
107 HE ARG 52 HE ARG 52 16.149 25.962 32.062
108 HH11 ARG 52 1HH1 ARG 52 18.755 27.959 30.666
109 HH12 ARG 52 2HH1 ARG 52 17.925 29.447 31.049
110 HH21 ARG 52 2HH2 ARG 52 15.950 29.438 32.085
111 HH22 ARG 52 1HH2 ARG 52 15.160 27.951 32.556
112 H GLN 53 H GLN 53 15.045 26.622 30.150
113 HA GLN 53 HA GLN 53 13.814 27.392 27.572
114 HB2 GLN 53 2HB GLN 53 14.098 28.921 30.180
115 HB3 GLN 53 3HB GLN 53 13.357 29.540 28.700
116 HG2 GLN 53 2HG GLN 53 11.736 27.592 28.774
117 HG3 GLN 53 3HG GLN 53 12.382 27.186 30.368
118 HE21 GLN 53 2HE2 GLN 53 9.398 29.788 30.240
119 HE22 GLN 53 1HE2 GLN 53 9.737 28.527 29.065
120 H CYS 54 H CYS 54 15.734 27.077 26.343
121 HA CYS 54 HA CYS 54 17.254 29.541 26.105
122 HB2 CYS 54 2HB CYS 54 19.419 28.641 26.211
123 HB3 CYS 54 3HB CYS 54 18.607 28.046 27.647
124 H LYS 55 H LYS 55 18.739 29.345 24.124
125 HA LYS 55 HA LYS 55 17.168 28.605 21.855
126 HB2 LYS 55 2HB LYS 55 19.091 30.440 22.278
127 HB3 LYS 55 3HB LYS 55 20.106 29.170 21.579
128 HG2 LYS 55 2HG LYS 55 18.645 29.132 19.567
129 HG3 LYS 55 3HG LYS 55 17.555 30.300 20.339
130 HD2 LYS 55 2HD LYS 55 19.464 31.954 20.414
131 HD3 LYS 55 3HD LYS 55 20.452 30.778 19.545
132 HE2 LYS 55 2HE LYS 55 19.620 32.330 17.930
133 HE3 LYS 55 3HE LYS 55 18.750 30.808 17.683
134 HZ1 LYS 55 3HZ LYS 55 17.738 33.152 19.153
135 HZ2 LYS 55 1HZ LYS 55 16.909 31.745 18.924
136 HZ3 LYS 55 2HZ LYS 55 17.273 32.709 17.640
137 H GLU 56 H GLU 56 18.061 27.263 20.031
138 HA GLU 56 HA GLU 56 19.422 24.772 20.939
139 HB2 GLU 56 2HB GLU 56 16.986 24.578 21.192
140 HB3 GLU 56 3HB GLU 56 16.748 25.016 19.501
141 HG2 GLU 56 2HG GLU 56 17.788 22.947 18.761
142 HG3 GLU 56 3HG GLU 56 18.319 22.562 20.400
143 H LEU 57 H LEU 57 20.241 23.483 19.211
144 HA LEU 57 HA LEU 57 20.738 24.837 16.615
145 HB2 LEU 57 2HB LEU 57 22.721 23.498 18.501
146 HB3 LEU 57 3HB LEU 57 23.096 23.796 16.809
147 HG LEU 57 HG LEU 57 22.408 25.927 18.854
148 HD11 LEU 57 1HD1 LEU 57 25.065 25.195 17.591
149 HD12 LEU 57 2HD1 LEU 57 24.556 24.952 19.282
150 HD13 LEU 57 3HD1 LEU 57 24.747 26.585 18.653
151 HD21 LEU 57 3HD2 LEU 57 23.371 26.248 15.977
152 HD22 LEU 57 1HD2 LEU 57 23.170 27.550 17.166
153 HD23 LEU 57 2HD2 LEU 57 21.758 26.677 16.588
154 H GLN 58 H GLN 58 21.997 23.035 15.237
155 HA GLN 58 HA GLN 58 20.398 20.526 15.335
156 HB2 GLN 58 2HB GLN 58 20.179 20.594 12.923
157 HB3 GLN 58 3HB GLN 58 19.493 22.032 13.697
158 HG2 GLN 58 2HG GLN 58 21.467 23.362 13.046
159 HG3 GLN 58 3HG GLN 58 22.172 21.934 12.258
160 HE21 GLN 58 2HE2 GLN 58 20.811 23.584 9.383
161 HE22 GLN 58 1HE2 GLN 58 22.250 23.434 10.382
162 H ALA 59 H ALA 59 23.465 22.033 14.311
163 HA ALA 59 HA ALA 59 24.794 19.491 13.859
164 HB1 ALA 59 1HB ALA 59 26.810 20.873 13.674
165 HB2 ALA 59 2HB ALA 59 25.493 21.566 12.711
166 HB3 ALA 59 3HB ALA 59 25.927 22.292 14.274
167 H GLU 60 H GLU 60 24.726 21.922 16.535
168 HA GLU 60 HA GLU 60 26.628 20.362 18.106
169 HB2 GLU 60 2HB GLU 60 26.413 22.949 17.859
170 HB3 GLU 60 3HB GLU 60 25.092 22.786 19.014
171 HG2 GLU 60 2HG GLU 60 27.002 23.238 20.355
172 HG3 GLU 60 3HG GLU 60 26.809 21.513 20.528
173 H SER 61 H SER 61 23.120 20.926 18.035
174 HA SER 61 HA SER 61 22.517 19.993 20.654
175 HB2 SER 61 2HB SER 61 21.039 21.363 19.193
176 HB3 SER 61 3HB SER 61 20.813 19.951 18.136
177 HG SER 61 HG SER 61 19.133 20.043 19.564
178 H ALA 62 H ALA 62 22.992 18.361 17.517
179 HA ALA 62 HA ALA 62 22.248 15.714 18.324
180 HB1 ALA 62 1HB ALA 62 23.444 15.066 16.273
181 HB2 ALA 62 2HB ALA 62 22.346 16.424 15.984
182 HB3 ALA 62 3HB ALA 62 24.092 16.709 16.118
183 H SER 63 H SER 63 25.276 17.613 18.548
184 HA SER 63 HA SER 63 26.986 15.414 19.274
185 HB2 SER 63 2HB SER 63 27.300 18.421 19.654
186 HB3 SER 63 3HB SER 63 28.563 17.213 19.928
187 HG SER 63 HG SER 63 28.346 16.594 17.744
188 H CYS 64 H CYS 64 24.875 17.577 21.142
189 HA CYS 64 HA CYS 64 26.013 17.021 23.710
190 HB2 CYS 64 2HB CYS 64 23.390 18.185 22.725
191 HB3 CYS 64 3HB CYS 64 23.698 17.926 24.434
192 H GLY 65 H GLY 65 24.088 15.022 21.718
193 HA2 GLY 65 2HA GLY 65 23.576 12.780 22.172
194 HA3 GLY 65 3HA GLY 65 23.686 13.078 23.907
195 H LYS 66 H LYS 66 21.596 11.653 22.655
196 HA LYS 66 HA LYS 66 19.360 13.293 22.008
197 HB2 LYS 66 2HB LYS 66 20.012 10.935 21.211
198 HB3 LYS 66 3HB LYS 66 19.216 10.328 22.653
199 HG2 LYS 66 2HG LYS 66 17.951 12.145 20.536
200 HG3 LYS 66 3HG LYS 66 17.856 10.391 20.506
201 HD2 LYS 66 2HD LYS 66 16.667 12.136 22.706
202 HD3 LYS 66 3HD LYS 66 15.798 11.447 21.333
203 HE2 LYS 66 2HE LYS 66 16.513 9.161 22.062
204 HE3 LYS 66 3HE LYS 66 17.223 9.879 23.517
205 HZ1 LYS 66 3HZ LYS 66 15.058 10.675 24.123
206 HZ2 LYS 66 1HZ LYS 66 14.982 9.047 23.877
207 HZ3 LYS 66 2HZ LYS 66 14.389 10.078 22.737
208 H GLY 67 H GLY 67 18.530 14.563 23.484
209 HA2 GLY 67 2HA GLY 67 16.812 14.464 25.372
210 HA3 GLY 67 3HA GLY 67 18.100 13.686 26.299
211 H GLN 68 H GLN 68 19.868 15.732 24.471
212 HA GLN 68 HA GLN 68 19.454 18.163 26.122
213 HB2 GLN 68 2HB GLN 68 22.095 16.710 25.619
214 HB3 GLN 68 3HB GLN 68 21.960 18.324 26.279
215 HG2 GLN 68 2HG GLN 68 22.356 16.956 28.120
216 HG3 GLN 68 3HG GLN 68 20.661 17.420 28.213
217 HE21 GLN 68 2HE2 GLN 68 19.972 14.012 28.887
218 HE22 GLN 68 1HE2 GLN 68 19.886 15.679 29.430
219 H LYS 69 H LYS 69 20.461 20.041 25.277
220 HA LYS 69 HA LYS 69 21.182 20.149 22.412
221 HB2 LYS 69 2HB LYS 69 19.746 22.206 22.271
222 HB3 LYS 69 3HB LYS 69 18.836 20.702 22.451
223 HG2 LYS 69 2HG LYS 69 18.354 21.136 24.760
224 HG3 LYS 69 3HG LYS 69 19.530 22.465 24.839
225 HD2 LYS 69 2HD LYS 69 18.165 23.811 23.295
226 HD3 LYS 69 3HD LYS 69 16.986 22.483 23.174
227 HE2 LYS 69 2HE LYS 69 16.649 22.595 25.638
228 HE3 LYS 69 3HE LYS 69 17.775 23.957 25.724
229 HZ1 LYS 69 3HZ LYS 69 15.271 23.920 24.190
230 HZ2 LYS 69 1HZ LYS 69 16.298 25.203 24.339
231 HZ3 LYS 69 2HZ LYS 69 15.485 24.635 25.659
232 H CYS 70 H CYS 70 22.164 22.325 21.898
233 HA CYS 70 HA CYS 70 23.883 23.229 24.148
234 HB2 CYS 70 2HB CYS 70 24.908 22.410 22.019
235 HB3 CYS 70 3HB CYS 70 24.248 23.838 21.210
236 H CYS 71 H CYS 71 23.108 24.911 25.249
237 HA CYS 71 HA CYS 71 21.361 26.972 24.161
238 HB2 CYS 71 2HB CYS 71 23.054 26.895 26.684
239 HB3 CYS 71 3HB CYS 71 21.790 28.061 26.312
240 H VAL 72 H VAL 72 21.977 29.197 23.867
241 HA VAL 72 HA VAL 72 24.699 29.845 23.031
242 HB VAL 72 HB VAL 72 23.871 32.180 23.072
243 HG11 VAL 72 1HG1 VAL 72 22.362 31.922 21.142
244 HG12 VAL 72 2HG1 VAL 72 23.733 30.807 21.046
245 HG13 VAL 72 3HG1 VAL 72 22.141 30.206 21.528
246 HG21 VAL 72 3HG2 VAL 72 21.479 32.674 23.327
247 HG22 VAL 72 1HG2 VAL 72 21.155 31.008 23.826
248 HG23 VAL 72 2HG2 VAL 72 22.151 32.071 24.843
249 H TRP 73 H TRP 73 26.279 30.826 24.133
250 HA TRP 73 HA TRP 73 26.336 30.698 27.036
251 HB2 TRP 73 2HB TRP 73 28.581 31.722 26.698
252 HB3 TRP 73 3HB TRP 73 28.318 30.226 25.823
253 HD1 TRP 73 HD1 TRP 73 27.952 33.995 24.957
254 HE1 TRP 73 HE1 TRP 73 28.885 34.432 22.640
255 HE3 TRP 73 HE3 TRP 73 29.222 29.214 23.732
256 HZ2 TRP 73 HZ2 TRP 73 30.077 32.894 20.489
257 HZ3 TRP 73 HZ3 TRP 73 30.295 28.726 21.551
258 HH2 TRP 73 HH2 TRP 73 30.694 30.543 19.906
259 H LEU 74 H LEU 74 25.318 33.037 24.713
260 HA LEU 74 HA LEU 74 25.864 35.463 26.063
261 HB2 LEU 74 2HB LEU 74 25.387 35.099 23.645
262 HB3 LEU 74 3HB LEU 74 23.679 34.886 24.011
263 HG LEU 74 HG LEU 74 25.230 37.396 24.803
264 HD11 LEU 74 1HD1 LEU 74 24.452 38.453 22.721
265 HD12 LEU 74 2HD1 LEU 74 23.737 36.917 22.194
266 HD13 LEU 74 3HD1 LEU 74 25.497 37.072 22.377
267 HD21 LEU 74 3HD2 LEU 74 23.040 37.262 25.882
268 HD22 LEU 74 1HD2 LEU 74 22.257 36.892 24.329
269 HD23 LEU 74 2HD2 LEU 74 22.982 38.485 24.621
270 H HIS 75 H HIS 75 25.213 35.752 28.098
271 HA HIS 75 HA HIS 75 22.640 34.747 29.080
272 HB2 HIS 75 2HB HIS 75 24.817 34.422 30.266
273 HB3 HIS 75 3HB HIS 75 24.883 36.161 30.559
274 HD1 HIS 75 HD1 HIS 75 21.371 35.048 30.997
275 HD2 HIS 75 HD2 HIS 75 24.968 35.005 33.201
276 HE1 HIS 75 HE1 HIS 75 20.727 34.610 33.444
277 HE2 HIS 75 HE2 HIS 75 22.916 34.601 34.781
Start of MODEL 5
1 H1 LEU 37 H LEU 37 32.788 21.185 9.995
2 HA LEU 37 HA LEU 37 31.634 22.888 12.076
3 HB2 LEU 37 2HB LEU 37 29.986 22.270 10.351
4 HB3 LEU 37 3HB LEU 37 30.430 20.571 10.513
5 HG LEU 37 HG LEU 37 29.626 20.573 12.878
6 HD11 LEU 37 1HD1 LEU 37 29.995 23.022 13.356
7 HD12 LEU 37 2HD1 LEU 37 28.384 22.461 13.791
8 HD13 LEU 37 3HD1 LEU 37 28.612 23.400 12.289
9 HD21 LEU 37 3HD2 LEU 37 27.229 20.688 12.392
10 HD22 LEU 37 1HD2 LEU 37 28.112 19.913 11.060
11 HD23 LEU 37 2HD2 LEU 37 27.557 21.607 10.897
12 H THR 38 H THR 38 31.908 22.257 14.101
13 HA THR 38 HA THR 38 33.101 19.608 14.681
14 HB THR 38 HB THR 38 32.908 22.043 16.482
15 HG1 THR 38 1HG THR 38 35.152 22.208 15.975
16 HG21 THR 38 1HG2 THR 38 34.573 19.494 16.688
17 HG22 THR 38 2HG2 THR 38 33.212 19.935 17.739
18 HG23 THR 38 3HG2 THR 38 34.695 20.893 17.774
19 H GLY 39 H GLY 39 30.265 21.655 15.306
20 HA2 GLY 39 2HA GLY 39 28.272 20.082 15.273
21 HA3 GLY 39 3HA GLY 39 28.949 19.377 16.735
22 H CYS 40 H CYS 40 29.451 22.740 16.827
23 HA CYS 40 HA CYS 40 26.805 23.605 17.649
24 HB2 CYS 40 2HB CYS 40 28.985 22.994 19.619
25 HB3 CYS 40 3HB CYS 40 28.104 24.482 19.877
26 H LYS 41 H LYS 41 27.394 26.041 18.722
27 HA LYS 41 HA LYS 41 28.272 27.641 16.602
28 HB2 LYS 41 2HB LYS 41 27.249 27.989 19.287
29 HB3 LYS 41 3HB LYS 41 28.675 29.000 19.122
30 HG2 LYS 41 2HG LYS 41 26.887 30.353 18.447
31 HG3 LYS 41 3HG LYS 41 27.663 29.870 16.938
32 HD2 LYS 41 2HD LYS 41 25.878 28.022 16.755
33 HD3 LYS 41 3HD LYS 41 25.103 28.731 18.171
34 HE2 LYS 41 2HE LYS 41 23.973 29.579 16.225
35 HE3 LYS 41 3HE LYS 41 24.914 30.906 16.927
36 HZ1 LYS 41 3HZ LYS 41 25.710 29.242 14.626
37 HZ2 LYS 41 1HZ LYS 41 26.591 30.486 15.248
38 HZ3 LYS 41 2HZ LYS 41 25.139 30.785 14.532
39 H GLY 42 H GLY 42 30.251 25.955 18.918
40 HA2 GLY 42 2HA GLY 42 32.584 25.794 17.873
41 HA3 GLY 42 3HA GLY 42 32.694 27.524 18.226
42 H LYS 43 H LYS 43 31.186 27.340 20.756
43 HA LYS 43 HA LYS 43 33.335 26.621 22.576
44 HB2 LYS 43 2HB LYS 43 30.517 27.721 22.880
45 HB3 LYS 43 3HB LYS 43 31.535 27.352 24.278
46 HG2 LYS 43 2HG LYS 43 33.227 28.900 23.632
47 HG3 LYS 43 3HG LYS 43 32.513 29.178 22.049
48 HD2 LYS 43 2HD LYS 43 31.154 29.944 24.664
49 HD3 LYS 43 3HD LYS 43 32.159 31.025 23.686
50 HE2 LYS 43 2HE LYS 43 30.632 30.568 21.726
51 HE3 LYS 43 3HE LYS 43 29.553 29.701 22.835
52 HZ1 LYS 43 3HZ LYS 43 29.367 31.740 24.103
53 HZ2 LYS 43 1HZ LYS 43 28.898 31.972 22.532
54 HZ3 LYS 43 2HZ LYS 43 30.366 32.519 23.042
55 H GLY 44 H GLY 44 30.703 24.835 21.242
56 HA2 GLY 44 2HA GLY 44 30.120 22.644 21.517
57 HA3 GLY 44 3HA GLY 44 31.250 22.493 22.859
58 H GLY 45 H GLY 45 30.024 24.777 24.377
59 HA2 GLY 45 2HA GLY 45 28.559 25.116 26.045
60 HA3 GLY 45 3HA GLY 45 27.306 24.521 24.948
61 H GLU 46 H GLU 46 26.154 23.371 26.365
62 HA GLU 46 HA GLU 46 27.237 20.729 27.140
63 HB2 GLU 46 2HB GLU 46 25.574 22.521 28.957
64 HB3 GLU 46 3HB GLU 46 25.771 20.779 29.198
65 HG2 GLU 46 2HG GLU 46 28.260 21.102 29.227
66 HG3 GLU 46 3HG GLU 46 27.999 22.852 29.211
67 H CYS 47 H CYS 47 25.664 19.085 27.196
68 HA CYS 47 HA CYS 47 23.582 19.392 25.168
69 HB2 CYS 47 2HB CYS 47 24.541 17.005 26.782
70 HB3 CYS 47 3HB CYS 47 23.355 16.951 25.474
71 H ASN 48 H ASN 48 22.086 20.715 26.038
72 HA ASN 48 HA ASN 48 20.848 20.209 28.670
73 HB2 ASN 48 2HB ASN 48 20.628 22.360 26.539
74 HB3 ASN 48 3HB ASN 48 19.435 22.241 27.831
75 HD21 ASN 48 2HD2 ASN 48 23.243 23.545 28.696
76 HD22 ASN 48 1HD2 ASN 48 22.952 22.757 27.163
77 HA PRO 49 HA PRO 49 17.373 17.978 27.016
78 HB2 PRO 49 3HB PRO 49 16.728 17.639 29.218
79 HB3 PRO 49 2HB PRO 49 15.332 18.670 28.745
80 HG2 PRO 49 2HG PRO 49 16.343 20.624 29.624
81 HG3 PRO 49 3HG PRO 49 16.870 19.384 30.828
82 HD2 PRO 49 2HD PRO 49 18.635 20.974 29.502
83 HD3 PRO 49 3HD PRO 49 18.999 19.282 29.960
84 H LEU 50 H LEU 50 15.439 18.252 25.833
85 HA LEU 50 HA LEU 50 15.308 20.565 24.167
86 HB2 LEU 50 2HB LEU 50 13.306 18.346 24.661
87 HB3 LEU 50 3HB LEU 50 13.260 19.462 23.294
88 HG LEU 50 HG LEU 50 15.723 17.722 23.768
89 HD11 LEU 50 1HD1 LEU 50 14.684 16.040 22.271
90 HD12 LEU 50 2HD1 LEU 50 13.147 16.943 22.350
91 HD13 LEU 50 3HD1 LEU 50 13.829 16.209 23.821
92 HD21 LEU 50 3HD2 LEU 50 16.003 17.958 21.361
93 HD22 LEU 50 1HD2 LEU 50 15.877 19.560 22.116
94 HD23 LEU 50 2HD2 LEU 50 14.483 18.881 21.236
95 H ASP 51 H ASP 51 13.449 19.578 27.006
96 HA ASP 51 HA ASP 51 11.377 21.499 26.932
97 HB2 ASP 51 2HB ASP 51 11.508 19.397 28.286
98 HB3 ASP 51 3HB ASP 51 12.620 20.215 29.386
99 H ARG 52 H ARG 52 14.735 22.042 27.671
100 HA ARG 52 HA ARG 52 14.443 24.409 29.290
101 HB2 ARG 52 2HB ARG 52 16.532 22.898 28.929
102 HB3 ARG 52 3HB ARG 52 16.717 23.716 27.379
103 HG2 ARG 52 2HG ARG 52 18.197 24.754 28.932
104 HG3 ARG 52 3HG ARG 52 16.904 25.898 28.636
105 HD2 ARG 52 2HD ARG 52 16.902 26.062 30.914
106 HD3 ARG 52 3HD ARG 52 15.855 24.658 30.827
107 HE ARG 52 HE ARG 52 17.589 23.268 31.566
108 HH11 ARG 52 1HH1 ARG 52 18.806 26.604 31.207
109 HH12 ARG 52 2HH1 ARG 52 20.242 26.270 32.147
110 HH21 ARG 52 2HH2 ARG 52 20.600 24.238 33.031
111 HH22 ARG 52 1HH2 ARG 52 19.469 22.923 32.793
112 H GLN 53 H GLN 53 14.919 26.616 28.524
113 HA GLN 53 HA GLN 53 14.000 27.188 25.739
114 HB2 GLN 53 2HB GLN 53 13.938 28.871 28.270
115 HB3 GLN 53 3HB GLN 53 13.618 29.507 26.655
116 HG2 GLN 53 2HG GLN 53 12.017 27.300 28.025
117 HG3 GLN 53 3HG GLN 53 11.531 28.985 27.866
118 HE21 GLN 53 2HE2 GLN 53 10.802 28.757 24.313
119 HE22 GLN 53 1HE2 GLN 53 11.367 29.862 25.553
120 H CYS 54 H CYS 54 15.683 27.327 24.435
121 HA CYS 54 HA CYS 54 17.840 29.188 25.044
122 HB2 CYS 54 2HB CYS 54 19.590 27.774 25.117
123 HB3 CYS 54 3HB CYS 54 18.395 26.754 25.860
124 H LYS 55 H LYS 55 19.484 28.885 22.972
125 HA LYS 55 HA LYS 55 18.195 30.071 20.783
126 HB2 LYS 55 2HB LYS 55 20.565 30.288 21.393
127 HB3 LYS 55 3HB LYS 55 20.883 28.631 20.905
128 HG2 LYS 55 2HG LYS 55 19.728 30.671 18.962
129 HG3 LYS 55 3HG LYS 55 21.450 30.623 19.335
130 HD2 LYS 55 2HD LYS 55 21.590 28.273 18.587
131 HD3 LYS 55 3HD LYS 55 19.892 28.315 18.091
132 HE2 LYS 55 2HE LYS 55 22.024 30.211 17.044
133 HE3 LYS 55 3HE LYS 55 21.545 28.709 16.241
134 HZ1 LYS 55 3HZ LYS 55 19.328 29.557 16.045
135 HZ2 LYS 55 1HZ LYS 55 20.401 30.570 15.322
136 HZ3 LYS 55 2HZ LYS 55 19.754 30.972 16.780
137 H GLU 56 H GLU 56 19.418 26.828 21.098
138 HA GLU 56 HA GLU 56 18.983 24.802 20.204
139 HB2 GLU 56 2HB GLU 56 16.790 25.221 21.193
140 HB3 GLU 56 3HB GLU 56 16.211 25.917 19.671
141 HG2 GLU 56 2HG GLU 56 16.644 23.750 18.527
142 HG3 GLU 56 3HG GLU 56 17.187 23.051 20.048
143 H LEU 57 H LEU 57 20.393 24.608 18.576
144 HA LEU 57 HA LEU 57 19.890 25.495 15.846
145 HB2 LEU 57 2HB LEU 57 21.873 23.566 17.111
146 HB3 LEU 57 3HB LEU 57 21.837 23.936 15.385
147 HG LEU 57 HG LEU 57 22.069 26.114 17.465
148 HD11 LEU 57 1HD1 LEU 57 24.408 26.144 17.451
149 HD12 LEU 57 2HD1 LEU 57 24.517 24.995 16.115
150 HD13 LEU 57 3HD1 LEU 57 23.971 24.448 17.713
151 HD21 LEU 57 3HD2 LEU 57 21.500 26.848 15.153
152 HD22 LEU 57 1HD2 LEU 57 22.955 26.029 14.546
153 HD23 LEU 57 2HD2 LEU 57 23.111 27.415 15.636
154 H GLN 58 H GLN 58 20.008 23.751 14.081
155 HA GLN 58 HA GLN 58 17.987 21.650 14.669
156 HB2 GLN 58 2HB GLN 58 17.121 21.987 12.432
157 HB3 GLN 58 3HB GLN 58 17.050 23.460 13.391
158 HG2 GLN 58 2HG GLN 58 19.068 24.337 12.204
159 HG3 GLN 58 3HG GLN 58 19.080 22.891 11.187
160 HE21 GLN 58 2HE2 GLN 58 16.182 23.850 9.284
161 HE22 GLN 58 1HE2 GLN 58 17.112 22.460 9.837
162 H ALA 59 H ALA 59 20.875 22.415 12.689
163 HA ALA 59 HA ALA 59 21.210 19.581 11.957
164 HB1 ALA 59 1HB ALA 59 23.138 20.388 10.698
165 HB2 ALA 59 2HB ALA 59 21.712 21.378 10.334
166 HB3 ALA 59 3HB ALA 59 22.978 22.001 11.422
167 H GLU 60 H GLU 60 22.193 21.741 14.558
168 HA GLU 60 HA GLU 60 24.543 20.051 15.242
169 HB2 GLU 60 2HB GLU 60 23.795 22.949 15.487
170 HB3 GLU 60 3HB GLU 60 25.114 22.292 16.441
171 HG2 GLU 60 2HG GLU 60 26.415 21.807 14.531
172 HG3 GLU 60 3HG GLU 60 25.041 21.860 13.432
173 H SER 61 H SER 61 21.333 20.620 16.280
174 HA SER 61 HA SER 61 21.677 20.086 19.098
175 HB2 SER 61 2HB SER 61 19.299 19.324 18.900
176 HB3 SER 61 3HB SER 61 19.577 20.971 18.312
177 HG SER 61 HG SER 61 18.271 19.586 16.931
178 H ALA 62 H ALA 62 21.577 18.154 16.131
179 HA ALA 62 HA ALA 62 21.406 15.562 17.327
180 HB1 ALA 62 1HB ALA 62 21.988 14.807 15.050
181 HB2 ALA 62 2HB ALA 62 20.741 16.067 15.018
182 HB3 ALA 62 3HB ALA 62 22.424 16.474 14.603
183 H SER 63 H SER 63 24.067 17.757 17.310
184 HA SER 63 HA SER 63 26.270 15.909 17.187
185 HB2 SER 63 2HB SER 63 26.519 18.353 16.930
186 HB3 SER 63 3HB SER 63 25.952 18.588 18.596
187 HG SER 63 HG SER 63 28.133 18.582 18.733
188 H CYS 64 H CYS 64 24.296 17.245 19.871
189 HA CYS 64 HA CYS 64 25.493 15.641 21.967
190 HB2 CYS 64 2HB CYS 64 23.011 17.357 21.664
191 HB3 CYS 64 3HB CYS 64 23.309 16.399 23.115
192 H GLY 65 H GLY 65 23.300 14.896 19.428
193 HA2 GLY 65 2HA GLY 65 22.641 12.738 18.880
194 HA3 GLY 65 3HA GLY 65 22.788 12.230 20.565
195 H LYS 66 H LYS 66 20.701 11.262 19.541
196 HA LYS 66 HA LYS 66 18.324 12.744 19.230
197 HB2 LYS 66 2HB LYS 66 18.811 9.850 20.037
198 HB3 LYS 66 3HB LYS 66 17.229 10.496 19.622
199 HG2 LYS 66 2HG LYS 66 19.601 10.624 17.719
200 HG3 LYS 66 3HG LYS 66 18.532 9.230 17.802
201 HD2 LYS 66 2HD LYS 66 17.540 12.041 17.171
202 HD3 LYS 66 3HD LYS 66 18.032 10.856 15.953
203 HE2 LYS 66 2HE LYS 66 16.346 9.249 16.833
204 HE3 LYS 66 3HE LYS 66 15.801 10.477 17.988
205 HZ1 LYS 66 3HZ LYS 66 15.726 10.708 15.056
206 HZ2 LYS 66 1HZ LYS 66 15.241 11.879 16.113
207 HZ3 LYS 66 2HZ LYS 66 14.430 10.445 16.042
208 H GLY 67 H GLY 67 17.229 13.843 20.638
209 HA2 GLY 67 2HA GLY 67 15.756 13.932 22.490
210 HA3 GLY 67 3HA GLY 67 16.794 12.857 23.408
211 H GLN 68 H GLN 68 18.890 15.118 22.073
212 HA GLN 68 HA GLN 68 18.557 17.120 24.268
213 HB2 GLN 68 2HB GLN 68 21.183 16.022 23.236
214 HB3 GLN 68 3HB GLN 68 20.953 17.185 24.540
215 HG2 GLN 68 2HG GLN 68 20.210 14.237 24.571
216 HG3 GLN 68 3HG GLN 68 21.579 14.989 25.381
217 HE21 GLN 68 2HE2 GLN 68 18.364 14.513 27.546
218 HE22 GLN 68 1HE2 GLN 68 18.916 13.507 26.216
219 H LYS 69 H LYS 69 19.791 19.189 23.754
220 HA LYS 69 HA LYS 69 20.268 19.627 20.867
221 HB2 LYS 69 2HB LYS 69 19.082 21.812 21.110
222 HB3 LYS 69 3HB LYS 69 18.036 20.401 21.224
223 HG2 LYS 69 2HG LYS 69 17.801 20.605 23.612
224 HG3 LYS 69 3HG LYS 69 19.129 21.793 23.714
225 HD2 LYS 69 2HD LYS 69 17.813 23.380 22.365
226 HD3 LYS 69 3HD LYS 69 16.493 22.184 22.260
227 HE2 LYS 69 2HE LYS 69 16.251 22.245 24.708
228 HE3 LYS 69 3HE LYS 69 17.558 23.442 24.821
229 HZ1 LYS 69 3HZ LYS 69 15.288 24.379 24.770
230 HZ2 LYS 69 1HZ LYS 69 15.114 23.799 23.237
231 HZ3 LYS 69 2HZ LYS 69 16.256 24.935 23.548
232 H CYS 70 H CYS 70 21.249 21.778 20.451
233 HA CYS 70 HA CYS 70 23.564 22.216 22.237
234 HB2 CYS 70 2HB CYS 70 23.980 21.797 19.831
235 HB3 CYS 70 3HB CYS 70 22.978 23.191 19.421
236 H CYS 71 H CYS 71 23.787 24.062 23.395
237 HA CYS 71 HA CYS 71 22.113 26.447 22.883
238 HB2 CYS 71 2HB CYS 71 22.584 25.096 25.568
239 HB3 CYS 71 3HB CYS 71 21.742 26.611 25.319
240 H VAL 72 H VAL 72 23.109 28.402 23.687
241 HA VAL 72 HA VAL 72 25.834 28.260 24.813
242 HB VAL 72 HB VAL 72 26.434 30.209 23.341
243 HG11 VAL 72 1HG1 VAL 72 26.100 27.549 21.902
244 HG12 VAL 72 2HG1 VAL 72 27.289 28.823 21.551
245 HG13 VAL 72 3HG1 VAL 72 27.379 27.931 23.077
246 HG21 VAL 72 3HG2 VAL 72 24.236 30.784 22.377
247 HG22 VAL 72 1HG2 VAL 72 25.413 30.413 21.115
248 HG23 VAL 72 2HG2 VAL 72 24.178 29.218 21.539
249 H TRP 73 H TRP 73 26.151 29.577 26.399
250 HA TRP 73 HA TRP 73 24.128 31.081 27.654
251 HB2 TRP 73 2HB TRP 73 26.123 31.901 29.021
252 HB3 TRP 73 3HB TRP 73 25.849 30.166 28.949
253 HD1 TRP 73 HD1 TRP 73 28.088 32.764 27.149
254 HE1 TRP 73 HE1 TRP 73 30.368 31.724 26.671
255 HE3 TRP 73 HE3 TRP 73 27.122 27.993 28.712
256 HZ2 TRP 73 HZ2 TRP 73 31.623 29.122 26.904
257 HZ3 TRP 73 HZ3 TRP 73 28.863 26.239 28.513
258 HH2 TRP 73 HH2 TRP 73 31.115 26.793 27.621
259 H LEU 74 H LEU 74 26.201 32.007 25.033
260 HA LEU 74 HA LEU 74 26.220 34.857 25.403
261 HB2 LEU 74 2HB LEU 74 27.816 33.600 24.067
262 HB3 LEU 74 3HB LEU 74 26.568 33.097 22.931
263 HG LEU 74 HG LEU 74 27.040 36.060 23.386
264 HD11 LEU 74 1HD1 LEU 74 29.306 35.106 23.084
265 HD12 LEU 74 2HD1 LEU 74 28.817 36.088 21.699
266 HD13 LEU 74 3HD1 LEU 74 28.776 34.318 21.581
267 HD21 LEU 74 3HD2 LEU 74 26.359 34.431 20.884
268 HD22 LEU 74 1HD2 LEU 74 26.512 36.196 20.957
269 HD23 LEU 74 2HD2 LEU 74 25.204 35.394 21.820
270 H HIS 75 H HIS 75 23.906 32.578 23.928
271 HA HIS 75 HA HIS 75 22.132 34.853 23.183
272 HB2 HIS 75 2HB HIS 75 23.337 33.721 21.270
273 HB3 HIS 75 3HB HIS 75 22.414 32.265 21.624
274 HD1 HIS 75 HD1 HIS 75 22.129 35.635 19.959
275 HD2 HIS 75 HD2 HIS 75 19.619 32.527 21.319
276 HE1 HIS 75 HE1 HIS 75 19.808 36.051 18.927
277 HE2 HIS 75 HE2 HIS 75 18.293 34.159 19.771
Start of MODEL 6
1 H1 LEU 37 H LEU 37 31.159 26.059 11.894
2 HA LEU 37 HA LEU 37 32.526 24.548 13.053
3 HB2 LEU 37 2HB LEU 37 34.383 26.128 13.509
4 HB3 LEU 37 3HB LEU 37 33.360 26.989 14.655
5 HG LEU 37 HG LEU 37 33.266 25.049 16.123
6 HD11 LEU 37 1HD1 LEU 37 34.765 23.017 15.659
7 HD12 LEU 37 2HD1 LEU 37 35.074 23.671 14.065
8 HD13 LEU 37 3HD1 LEU 37 33.463 23.129 14.498
9 HD21 LEU 37 3HD2 LEU 37 35.095 26.643 16.405
10 HD22 LEU 37 1HD2 LEU 37 36.092 25.724 15.275
11 HD23 LEU 37 2HD2 LEU 37 35.615 25.013 16.822
12 H THR 38 H THR 38 31.309 23.335 14.247
13 HA THR 38 HA THR 38 28.830 24.365 15.428
14 HB THR 38 HB THR 38 29.002 22.357 13.922
15 HG1 THR 38 1HG THR 38 27.476 21.256 15.121
16 HG21 THR 38 1HG2 THR 38 30.101 20.942 16.376
17 HG22 THR 38 2HG2 THR 38 31.028 21.306 14.894
18 HG23 THR 38 3HG2 THR 38 29.622 20.223 14.821
19 H GLY 39 H GLY 39 28.157 23.280 17.562
20 HA2 GLY 39 2HA GLY 39 28.562 22.566 19.730
21 HA3 GLY 39 3HA GLY 39 30.297 22.801 19.523
22 H CYS 40 H CYS 40 27.427 24.092 20.772
23 HA CYS 40 HA CYS 40 27.922 26.893 20.808
24 HB2 CYS 40 2HB CYS 40 26.189 25.014 22.415
25 HB3 CYS 40 3HB CYS 40 26.283 26.735 22.791
26 H LYS 41 H LYS 41 29.039 24.367 23.041
27 HA LYS 41 HA LYS 41 29.874 25.863 25.197
28 HB2 LYS 41 2HB LYS 41 29.859 23.348 24.895
29 HB3 LYS 41 3HB LYS 41 31.329 23.501 23.924
30 HG2 LYS 41 2HG LYS 41 32.465 24.540 25.901
31 HG3 LYS 41 3HG LYS 41 30.968 24.305 26.832
32 HD2 LYS 41 2HD LYS 41 31.160 21.860 26.516
33 HD3 LYS 41 3HD LYS 41 32.619 22.094 25.528
34 HE2 LYS 41 2HE LYS 41 33.726 23.204 27.482
35 HE3 LYS 41 3HE LYS 41 32.301 22.842 28.471
36 HZ1 LYS 41 3HZ LYS 41 32.689 20.518 28.053
37 HZ2 LYS 41 1HZ LYS 41 33.994 21.223 28.768
38 HZ3 LYS 41 2HZ LYS 41 34.035 20.875 27.159
39 H GLY 42 H GLY 42 31.418 25.671 21.991
40 HA2 GLY 42 2HA GLY 42 33.887 26.984 22.809
41 HA3 GLY 42 3HA GLY 42 33.364 26.599 21.169
42 H LYS 43 H LYS 43 30.771 28.040 21.328
43 HA LYS 43 HA LYS 43 31.651 30.657 20.589
44 HB2 LYS 43 2HB LYS 43 29.828 29.334 19.515
45 HB3 LYS 43 3HB LYS 43 28.867 29.467 20.995
46 HG2 LYS 43 2HG LYS 43 28.910 31.944 20.767
47 HG3 LYS 43 3HG LYS 43 29.817 31.782 19.256
48 HD2 LYS 43 2HD LYS 43 27.044 30.621 19.784
49 HD3 LYS 43 3HD LYS 43 27.322 32.180 19.014
50 HE2 LYS 43 2HE LYS 43 28.379 29.549 17.899
51 HE3 LYS 43 3HE LYS 43 26.831 30.280 17.443
52 HZ1 LYS 43 3HZ LYS 43 28.454 30.878 15.880
53 HZ2 LYS 43 1HZ LYS 43 29.490 31.447 17.026
54 HZ3 LYS 43 2HZ LYS 43 28.070 32.233 16.740
55 H GLY 44 H GLY 44 29.984 29.293 23.433
56 HA2 GLY 44 2HA GLY 44 30.411 30.635 25.568
57 HA3 GLY 44 3HA GLY 44 29.726 31.995 24.675
58 H GLY 45 H GLY 45 28.110 29.233 23.635
59 HA2 GLY 45 2HA GLY 45 25.737 29.726 25.310
60 HA3 GLY 45 3HA GLY 45 25.848 28.736 23.851
61 H GLU 46 H GLU 46 24.476 27.525 25.575
62 HA GLU 46 HA GLU 46 26.165 25.505 26.980
63 HB2 GLU 46 2HB GLU 46 23.704 26.991 27.988
64 HB3 GLU 46 3HB GLU 46 24.370 25.558 28.768
65 HG2 GLU 46 2HG GLU 46 26.478 26.692 29.223
66 HG3 GLU 46 3HG GLU 46 25.938 28.136 28.358
67 H CYS 47 H CYS 47 24.905 23.565 27.556
68 HA CYS 47 HA CYS 47 22.803 22.859 25.568
69 HB2 CYS 47 2HB CYS 47 25.005 21.173 26.780
70 HB3 CYS 47 3HB CYS 47 23.617 20.512 25.915
71 H ASN 48 H ASN 48 20.921 22.612 26.387
72 HA ASN 48 HA ASN 48 20.436 21.831 29.195
73 HB2 ASN 48 2HB ASN 48 18.880 23.874 29.316
74 HB3 ASN 48 3HB ASN 48 20.608 24.168 29.403
75 HD21 ASN 48 2HD2 ASN 48 20.813 26.026 26.406
76 HD22 ASN 48 1HD2 ASN 48 21.686 25.119 27.633
77 HA PRO 49 HA PRO 49 17.028 19.697 27.390
78 HB2 PRO 49 3HB PRO 49 16.456 18.914 29.477
79 HB3 PRO 49 2HB PRO 49 14.963 19.857 29.195
80 HG2 PRO 49 2HG PRO 49 15.830 21.737 30.415
81 HG3 PRO 49 3HG PRO 49 16.452 20.362 31.387
82 HD2 PRO 49 2HD PRO 49 18.111 22.239 30.393
83 HD3 PRO 49 3HD PRO 49 18.591 20.520 30.408
84 H LEU 50 H LEU 50 14.906 19.852 26.452
85 HA LEU 50 HA LEU 50 14.386 22.232 24.996
86 HB2 LEU 50 2HB LEU 50 12.672 19.804 25.604
87 HB3 LEU 50 3HB LEU 50 12.301 20.980 24.353
88 HG LEU 50 HG LEU 50 14.947 19.450 24.342
89 HD11 LEU 50 1HD1 LEU 50 12.286 18.614 23.128
90 HD12 LEU 50 2HD1 LEU 50 13.124 17.820 24.476
91 HD13 LEU 50 3HD1 LEU 50 13.848 17.806 22.857
92 HD21 LEU 50 3HD2 LEU 50 14.769 21.437 22.858
93 HD22 LEU 50 1HD2 LEU 50 13.351 20.702 22.074
94 HD23 LEU 50 2HD2 LEU 50 14.942 19.918 21.973
95 H ASP 51 H ASP 51 13.011 20.938 27.944
96 HA ASP 51 HA ASP 51 10.803 22.620 28.387
97 HB2 ASP 51 2HB ASP 51 11.293 20.566 29.628
98 HB3 ASP 51 3HB ASP 51 12.729 21.305 30.345
99 H ARG 52 H ARG 52 14.213 23.462 28.654
100 HA ARG 52 HA ARG 52 14.031 25.557 30.557
101 HB2 ARG 52 2HB ARG 52 16.114 24.360 29.704
102 HB3 ARG 52 3HB ARG 52 15.973 25.305 28.220
103 HG2 ARG 52 2HG ARG 52 17.627 26.258 29.696
104 HG3 ARG 52 3HG ARG 52 16.280 27.393 29.554
105 HD2 ARG 52 2HD ARG 52 15.528 26.966 31.752
106 HD3 ARG 52 3HD ARG 52 16.308 25.375 31.819
107 HE ARG 52 HE ARG 52 18.442 26.999 31.575
108 HH11 ARG 52 1HH1 ARG 52 15.740 27.058 33.905
109 HH12 ARG 52 2HH1 ARG 52 16.765 27.645 35.199
110 HH21 ARG 52 2HH2 ARG 52 18.943 28.058 34.858
111 HH22 ARG 52 1HH2 ARG 52 19.685 27.796 33.295
112 H GLN 53 H GLN 53 14.018 27.839 30.270
113 HA GLN 53 HA GLN 53 12.336 28.765 28.041
114 HB2 GLN 53 2HB GLN 53 13.175 29.959 30.699
115 HB3 GLN 53 3HB GLN 53 12.235 30.852 29.492
116 HG2 GLN 53 2HG GLN 53 10.366 29.382 29.671
117 HG3 GLN 53 3HG GLN 53 11.296 28.146 30.516
118 HE21 GLN 53 2HE2 GLN 53 10.389 29.376 33.675
119 HE22 GLN 53 1HE2 GLN 53 10.776 28.007 32.647
120 H CYS 54 H CYS 54 13.871 28.657 26.356
121 HA CYS 54 HA CYS 54 15.368 31.084 25.977
122 HB2 CYS 54 2HB CYS 54 16.886 29.534 27.359
123 HB3 CYS 54 3HB CYS 54 17.003 28.520 25.925
124 H LYS 55 H LYS 55 16.695 30.805 23.814
125 HA LYS 55 HA LYS 55 14.963 30.151 21.640
126 HB2 LYS 55 2HB LYS 55 16.854 31.860 21.725
127 HB3 LYS 55 3HB LYS 55 17.989 30.511 21.615
128 HG2 LYS 55 2HG LYS 55 17.019 29.910 19.393
129 HG3 LYS 55 3HG LYS 55 15.864 31.249 19.548
130 HD2 LYS 55 2HD LYS 55 17.772 32.860 19.544
131 HD3 LYS 55 3HD LYS 55 18.902 31.494 19.475
132 HE2 LYS 55 2HE LYS 55 18.771 32.283 17.280
133 HE3 LYS 55 3HE LYS 55 17.834 30.780 17.320
134 HZ1 LYS 55 3HZ LYS 55 15.837 32.153 17.495
135 HZ2 LYS 55 1HZ LYS 55 16.676 32.436 16.107
136 HZ3 LYS 55 2HZ LYS 55 16.755 33.519 17.341
137 H GLU 56 H GLU 56 15.387 28.561 19.943
138 HA GLU 56 HA GLU 56 16.797 26.082 20.740
139 HB2 GLU 56 2HB GLU 56 14.350 26.081 21.342
140 HB3 GLU 56 3HB GLU 56 13.955 26.138 19.627
141 HG2 GLU 56 2HG GLU 56 15.728 24.032 20.918
142 HG3 GLU 56 3HG GLU 56 13.978 23.877 20.851
143 H LEU 57 H LEU 57 18.325 25.926 19.285
144 HA LEU 57 HA LEU 57 18.083 26.951 16.550
145 HB2 LEU 57 2HB LEU 57 20.345 25.585 18.085
146 HB3 LEU 57 3HB LEU 57 20.507 26.127 16.418
147 HG LEU 57 HG LEU 57 19.890 27.884 18.796
148 HD11 LEU 57 1HD1 LEU 57 22.109 28.807 18.502
149 HD12 LEU 57 2HD1 LEU 57 22.435 27.682 17.165
150 HD13 LEU 57 3HD1 LEU 57 22.172 27.068 18.821
151 HD21 LEU 57 3HD2 LEU 57 20.343 29.782 17.261
152 HD22 LEU 57 1HD2 LEU 57 18.894 28.886 16.820
153 HD23 LEU 57 2HD2 LEU 57 20.400 28.646 15.896
154 H GLN 58 H GLN 58 19.319 25.367 14.905
155 HA GLN 58 HA GLN 58 17.945 22.723 14.990
156 HB2 GLN 58 2HB GLN 58 17.413 22.887 12.655
157 HB3 GLN 58 3HB GLN 58 16.759 24.261 13.551
158 HG2 GLN 58 2HG GLN 58 18.623 25.683 12.705
159 HG3 GLN 58 3HG GLN 58 19.191 24.320 11.727
160 HE21 GLN 58 2HE2 GLN 58 16.989 25.142 9.090
161 HE22 GLN 58 1HE2 GLN 58 18.500 24.426 9.612
162 H ALA 59 H ALA 59 20.747 24.545 13.732
163 HA ALA 59 HA ALA 59 22.153 22.117 12.935
164 HB1 ALA 59 1HB ALA 59 23.086 25.001 13.224
165 HB2 ALA 59 2HB ALA 59 23.985 23.681 12.446
166 HB3 ALA 59 3HB ALA 59 22.458 24.246 11.744
167 H GLU 60 H GLU 60 22.239 24.359 15.786
168 HA GLU 60 HA GLU 60 24.449 22.791 16.973
169 HB2 GLU 60 2HB GLU 60 23.196 25.490 17.483
170 HB3 GLU 60 3HB GLU 60 24.247 24.715 18.662
171 HG2 GLU 60 2HG GLU 60 25.586 26.221 17.427
172 HG3 GLU 60 3HG GLU 60 26.074 24.583 17.006
173 H SER 61 H SER 61 20.996 22.949 17.178
174 HA SER 61 HA SER 61 20.667 22.188 19.936
175 HB2 SER 61 2HB SER 61 18.866 23.132 18.648
176 HB3 SER 61 3HB SER 61 18.927 21.802 17.468
177 HG SER 61 HG SER 61 17.288 21.704 19.169
178 H ALA 62 H ALA 62 20.983 20.341 16.860
179 HA ALA 62 HA ALA 62 20.947 17.733 18.062
180 HB1 ALA 62 1HB ALA 62 22.048 18.712 15.393
181 HB2 ALA 62 2HB ALA 62 21.757 17.018 15.847
182 HB3 ALA 62 3HB ALA 62 20.391 18.141 15.706
183 H SER 63 H SER 63 23.473 20.184 17.714
184 HA SER 63 HA SER 63 25.729 18.421 17.962
185 HB2 SER 63 2HB SER 63 25.716 20.790 17.030
186 HB3 SER 63 3HB SER 63 25.590 21.369 18.703
187 HG SER 63 HG SER 63 27.642 19.807 17.535
188 H CYS 64 H CYS 64 23.579 20.016 20.310
189 HA CYS 64 HA CYS 64 25.074 19.247 22.679
190 HB2 CYS 64 2HB CYS 64 22.182 20.038 22.202
191 HB3 CYS 64 3HB CYS 64 22.838 19.625 23.784
192 H GLY 65 H GLY 65 22.031 17.960 21.199
193 HA2 GLY 65 2HA GLY 65 22.556 15.370 20.790
194 HA3 GLY 65 3HA GLY 65 22.415 15.374 22.556
195 H LYS 66 H LYS 66 20.699 13.779 21.523
196 HA LYS 66 HA LYS 66 18.134 14.840 20.799
197 HB2 LYS 66 2HB LYS 66 17.300 12.616 21.397
198 HB3 LYS 66 3HB LYS 66 18.678 12.555 20.304
199 HG2 LYS 66 2HG LYS 66 20.181 11.939 22.147
200 HG3 LYS 66 3HG LYS 66 18.875 12.075 23.319
201 HD2 LYS 66 2HD LYS 66 18.854 10.146 20.967
202 HD3 LYS 66 3HD LYS 66 19.454 9.719 22.568
203 HE2 LYS 66 2HE LYS 66 16.612 10.654 21.989
204 HE3 LYS 66 3HE LYS 66 17.116 8.968 22.132
205 HZ1 LYS 66 3HZ LYS 66 16.231 9.732 24.198
206 HZ2 LYS 66 1HZ LYS 66 17.286 10.993 24.267
207 HZ3 LYS 66 2HZ LYS 66 17.845 9.456 24.389
208 H GLY 67 H GLY 67 16.377 15.343 22.044
209 HA2 GLY 67 2HA GLY 67 15.157 16.032 23.842
210 HA3 GLY 67 3HA GLY 67 16.186 15.065 24.895
211 H GLN 68 H GLN 68 18.027 17.291 23.019
212 HA GLN 68 HA GLN 68 18.051 19.344 25.179
213 HB2 GLN 68 2HB GLN 68 20.455 18.196 23.699
214 HB3 GLN 68 3HB GLN 68 20.484 19.538 24.840
215 HG2 GLN 68 2HG GLN 68 19.676 18.001 26.639
216 HG3 GLN 68 3HG GLN 68 19.809 16.652 25.497
217 HE21 GLN 68 2HE2 GLN 68 23.137 18.051 27.370
218 HE22 GLN 68 1HE2 GLN 68 21.521 18.625 27.740
219 H LYS 69 H LYS 69 18.964 21.386 24.485
220 HA LYS 69 HA LYS 69 19.165 21.935 21.595
221 HB2 LYS 69 2HB LYS 69 17.778 23.941 21.923
222 HB3 LYS 69 3HB LYS 69 16.908 22.404 22.043
223 HG2 LYS 69 2HG LYS 69 16.724 22.546 24.435
224 HG3 LYS 69 3HG LYS 69 17.916 23.862 24.525
225 HD2 LYS 69 2HD LYS 69 16.366 25.313 23.245
226 HD3 LYS 69 3HD LYS 69 15.123 24.043 23.339
227 HE2 LYS 69 2HE LYS 69 15.077 24.172 25.758
228 HE3 LYS 69 3HE LYS 69 16.550 25.158 25.794
229 HZ1 LYS 69 3HZ LYS 69 13.996 25.963 24.624
230 HZ2 LYS 69 1HZ LYS 69 15.356 26.891 24.717
231 HZ3 LYS 69 2HZ LYS 69 14.560 26.429 26.100
232 H CYS 70 H CYS 70 19.850 24.338 21.406
233 HA CYS 70 HA CYS 70 21.914 24.972 23.464
234 HB2 CYS 70 2HB CYS 70 23.060 24.470 21.493
235 HB3 CYS 70 3HB CYS 70 21.952 25.427 20.490
236 H CYS 71 H CYS 71 21.665 26.723 24.559
237 HA CYS 71 HA CYS 71 19.575 28.716 23.918
238 HB2 CYS 71 2HB CYS 71 19.530 27.654 26.104
239 HB3 CYS 71 3HB CYS 71 21.219 28.068 26.391
240 H VAL 72 H VAL 72 20.050 30.908 23.862
241 HA VAL 72 HA VAL 72 22.688 31.804 22.993
242 HB VAL 72 HB VAL 72 21.606 34.005 22.847
243 HG11 VAL 72 1HG1 VAL 72 19.986 31.804 21.529
244 HG12 VAL 72 2HG1 VAL 72 20.105 33.499 21.010
245 HG13 VAL 72 3HG1 VAL 72 21.535 32.452 20.957
246 HG21 VAL 72 3HG2 VAL 72 19.976 33.782 24.721
247 HG22 VAL 72 1HG2 VAL 72 19.239 34.327 23.206
248 HG23 VAL 72 2HG2 VAL 72 19.029 32.650 23.730
249 H TRP 73 H TRP 73 23.297 34.053 24.034
250 HA TRP 73 HA TRP 73 23.357 33.859 27.011
251 HB2 TRP 73 2HB TRP 73 25.732 34.888 26.680
252 HB3 TRP 73 3HB TRP 73 25.477 33.157 26.592
253 HD1 TRP 73 HD1 TRP 73 25.745 31.932 24.308
254 HE1 TRP 73 HE1 TRP 73 26.866 32.501 22.104
255 HE3 TRP 73 HE3 TRP 73 26.375 36.967 25.015
256 HZ2 TRP 73 HZ2 TRP 73 27.866 34.862 20.760
257 HZ3 TRP 73 HZ3 TRP 73 27.366 38.361 23.218
258 HH2 TRP 73 HH2 TRP 73 28.110 37.329 21.096
259 H LEU 74 H LEU 74 24.081 36.062 24.248
260 HA LEU 74 HA LEU 74 23.913 38.197 23.895
261 HB2 LEU 74 2HB LEU 74 21.372 38.217 25.517
262 HB3 LEU 74 3HB LEU 74 21.816 39.171 24.106
263 HG LEU 74 HG LEU 74 21.152 36.204 24.110
264 HD11 LEU 74 1HD1 LEU 74 19.128 36.887 22.919
265 HD12 LEU 74 2HD1 LEU 74 19.620 38.592 22.999
266 HD13 LEU 74 3HD1 LEU 74 19.218 37.707 24.483
267 HD21 LEU 74 3HD2 LEU 74 21.205 36.358 21.654
268 HD22 LEU 74 1HD2 LEU 74 22.797 36.722 22.325
269 HD23 LEU 74 2HD2 LEU 74 21.755 38.042 21.751
270 H HIS 75 H HIS 75 24.872 37.358 26.854
271 HA HIS 75 HA HIS 75 24.191 39.553 28.496
272 HB2 HIS 75 2HB HIS 75 24.769 37.168 29.154
273 HB3 HIS 75 3HB HIS 75 26.467 37.584 28.928
274 HD1 HIS 75 HD1 HIS 75 23.427 38.617 31.067
275 HD2 HIS 75 HD2 HIS 75 27.637 38.852 30.961
276 HE1 HIS 75 HE1 HIS 75 24.178 39.609 33.339
277 HE2 HIS 75 HE2 HIS 75 26.732 39.738 33.257
Start of MODEL 7
1 H1 LEU 37 H LEU 37 32.985 16.451 21.330
2 HA LEU 37 HA LEU 37 35.546 16.827 22.670
3 HB2 LEU 37 2HB LEU 37 36.735 16.673 20.637
4 HB3 LEU 37 3HB LEU 37 35.680 15.264 20.711
5 HG LEU 37 HG LEU 37 35.240 17.777 19.036
6 HD11 LEU 37 1HD1 LEU 37 37.103 16.410 18.306
7 HD12 LEU 37 2HD1 LEU 37 35.794 16.317 17.116
8 HD13 LEU 37 3HD1 LEU 37 36.063 14.961 18.224
9 HD21 LEU 37 3HD2 LEU 37 33.646 15.171 19.093
10 HD22 LEU 37 1HD2 LEU 37 33.481 16.420 17.828
11 HD23 LEU 37 2HD2 LEU 37 33.030 16.816 19.496
12 H THR 38 H THR 38 32.997 18.353 20.761
13 HA THR 38 HA THR 38 34.163 21.036 21.182
14 HB THR 38 HB THR 38 32.367 21.770 19.605
15 HG1 THR 38 1HG THR 38 31.404 20.057 18.370
16 HG21 THR 38 1HG2 THR 38 34.695 21.239 18.820
17 HG22 THR 38 2HG2 THR 38 33.441 21.023 17.587
18 HG23 THR 38 3HG2 THR 38 34.128 19.612 18.399
19 H GLY 39 H GLY 39 32.064 22.653 21.337
20 HA2 GLY 39 2HA GLY 39 29.885 21.813 23.043
21 HA3 GLY 39 3HA GLY 39 31.138 22.707 23.955
22 H CYS 40 H CYS 40 28.357 23.001 21.910
23 HA CYS 40 HA CYS 40 27.347 24.532 20.701
24 HB2 CYS 40 2HB CYS 40 28.603 25.936 22.988
25 HB3 CYS 40 3HB CYS 40 27.981 26.975 21.711
26 H LYS 41 H LYS 41 27.775 26.861 19.584
27 HA LYS 41 HA LYS 41 29.365 26.310 17.331
28 HB2 LYS 41 2HB LYS 41 27.386 27.958 17.675
29 HB3 LYS 41 3HB LYS 41 28.602 29.124 18.157
30 HG2 LYS 41 2HG LYS 41 29.779 28.348 15.887
31 HG3 LYS 41 3HG LYS 41 28.164 27.766 15.486
32 HD2 LYS 41 2HD LYS 41 29.013 30.597 16.222
33 HD3 LYS 41 3HD LYS 41 28.590 30.043 14.602
34 HE2 LYS 41 2HE LYS 41 26.648 30.107 16.963
35 HE3 LYS 41 3HE LYS 41 26.766 31.360 15.725
36 HZ1 LYS 41 3HZ LYS 41 26.059 28.544 15.213
37 HZ2 LYS 41 1HZ LYS 41 26.210 29.710 14.067
38 HZ3 LYS 41 2HZ LYS 41 25.016 29.822 15.193
39 H GLY 42 H GLY 42 29.953 28.621 20.014
40 HA2 GLY 42 2HA GLY 42 32.880 28.674 19.502
41 HA3 GLY 42 3HA GLY 42 31.916 30.156 19.669
42 H LYS 43 H LYS 43 30.859 27.464 21.567
43 HA LYS 43 HA LYS 43 30.672 27.076 23.715
44 HB2 LYS 43 2HB LYS 43 33.088 26.515 23.031
45 HB3 LYS 43 3HB LYS 43 33.580 27.842 24.087
46 HG2 LYS 43 2HG LYS 43 32.709 26.689 26.034
47 HG3 LYS 43 3HG LYS 43 31.668 25.682 25.040
48 HD2 LYS 43 2HD LYS 43 33.602 24.369 25.940
49 HD3 LYS 43 3HD LYS 43 33.625 24.428 24.190
50 HE2 LYS 43 2HE LYS 43 35.297 26.336 24.339
51 HE3 LYS 43 3HE LYS 43 35.294 26.135 26.098
52 HZ1 LYS 43 3HZ LYS 43 36.043 24.103 24.118
53 HZ2 LYS 43 1HZ LYS 43 36.065 23.887 25.749
54 HZ3 LYS 43 2HZ LYS 43 37.094 24.965 25.049
55 H GLY 44 H GLY 44 30.162 29.875 22.925
56 HA2 GLY 44 2HA GLY 44 30.426 31.481 25.367
57 HA3 GLY 44 3HA GLY 44 29.500 31.860 23.910
58 H GLY 45 H GLY 45 28.916 28.708 25.261
59 HA2 GLY 45 2HA GLY 45 26.825 29.314 27.135
60 HA3 GLY 45 3HA GLY 45 26.186 28.873 25.537
61 H GLU 46 H GLU 46 25.338 27.100 27.081
62 HA GLU 46 HA GLU 46 27.149 24.744 26.946
63 HB2 GLU 46 2HB GLU 46 25.376 25.601 29.260
64 HB3 GLU 46 3HB GLU 46 25.958 23.946 29.047
65 HG2 GLU 46 2HG GLU 46 28.295 24.753 29.106
66 HG3 GLU 46 3HG GLU 46 27.713 26.405 29.385
67 H CYS 47 H CYS 47 26.061 22.718 26.890
68 HA CYS 47 HA CYS 47 23.621 22.654 25.282
69 HB2 CYS 47 2HB CYS 47 25.458 20.506 26.334
70 HB3 CYS 47 3HB CYS 47 24.022 20.222 25.345
71 H ASN 48 H ASN 48 22.027 23.411 26.531
72 HA ASN 48 HA ASN 48 21.312 22.186 29.160
73 HB2 ASN 48 2HB ASN 48 20.570 24.720 27.644
74 HB3 ASN 48 3HB ASN 48 19.628 24.129 28.971
75 HD21 ASN 48 2HD2 ASN 48 23.341 25.972 29.694
76 HD22 ASN 48 1HD2 ASN 48 22.779 25.532 28.109
77 HA PRO 49 HA PRO 49 17.937 20.012 27.220
78 HB2 PRO 49 3HB PRO 49 17.195 19.310 29.314
79 HB3 PRO 49 2HB PRO 49 15.790 20.342 28.916
80 HG2 PRO 49 2HG PRO 49 16.694 22.189 30.177
81 HG3 PRO 49 3HG PRO 49 17.164 20.825 31.213
82 HD2 PRO 49 2HD PRO 49 19.021 22.553 30.252
83 HD3 PRO 49 3HD PRO 49 19.403 20.816 30.301
84 H LEU 50 H LEU 50 15.893 20.253 26.099
85 HA LEU 50 HA LEU 50 15.636 22.668 24.634
86 HB2 LEU 50 2HB LEU 50 13.763 20.314 25.023
87 HB3 LEU 50 3HB LEU 50 13.571 21.527 23.760
88 HG LEU 50 HG LEU 50 16.160 19.929 23.987
89 HD11 LEU 50 1HD1 LEU 50 13.629 19.120 22.518
90 HD12 LEU 50 2HD1 LEU 50 14.330 18.325 23.948
91 HD13 LEU 50 3HD1 LEU 50 15.218 18.315 22.404
92 HD21 LEU 50 3HD2 LEU 50 16.076 21.965 22.520
93 HD22 LEU 50 1HD2 LEU 50 14.760 21.221 21.600
94 HD23 LEU 50 2HD2 LEU 50 16.374 20.467 21.615
95 H ASP 51 H ASP 51 13.940 21.421 27.440
96 HA ASP 51 HA ASP 51 11.822 23.331 27.611
97 HB2 ASP 51 2HB ASP 51 13.182 21.601 29.720
98 HB3 ASP 51 3HB ASP 51 11.660 22.464 29.957
99 H ARG 52 H ARG 52 15.175 23.941 28.102
100 HA ARG 52 HA ARG 52 15.089 25.507 30.452
101 HB2 ARG 52 2HB ARG 52 17.115 24.458 29.363
102 HB3 ARG 52 3HB ARG 52 17.057 25.709 28.115
103 HG2 ARG 52 2HG ARG 52 18.747 26.174 29.828
104 HG3 ARG 52 3HG ARG 52 17.510 27.432 29.856
105 HD2 ARG 52 2HD ARG 52 16.561 26.644 31.859
106 HD3 ARG 52 3HD ARG 52 17.216 25.006 31.647
107 HE ARG 52 HE ARG 52 19.474 26.421 31.910
108 HH11 ARG 52 1HH1 ARG 52 16.523 26.391 33.914
109 HH12 ARG 52 2HH1 ARG 52 17.402 26.689 35.398
110 HH21 ARG 52 2HH2 ARG 52 19.642 26.951 35.374
111 HH22 ARG 52 1HH2 ARG 52 20.568 26.795 33.894
112 H GLN 53 H GLN 53 15.123 27.699 30.827
113 HA GLN 53 HA GLN 53 13.740 29.478 28.965
114 HB2 GLN 53 2HB GLN 53 14.942 29.842 31.754
115 HB3 GLN 53 3HB GLN 53 14.103 31.129 30.887
116 HG2 GLN 53 2HG GLN 53 12.790 28.469 31.588
117 HG3 GLN 53 3HG GLN 53 12.754 29.877 32.637
118 HE21 GLN 53 2HE2 GLN 53 9.968 31.276 31.000
119 HE22 GLN 53 1HE2 GLN 53 10.965 31.146 32.444
120 H CYS 54 H CYS 54 15.328 29.225 27.275
121 HA CYS 54 HA CYS 54 17.045 31.512 27.119
122 HB2 CYS 54 2HB CYS 54 18.289 29.289 28.143
123 HB3 CYS 54 3HB CYS 54 18.576 29.025 26.444
124 H LYS 55 H LYS 55 18.276 31.219 24.856
125 HA LYS 55 HA LYS 55 16.301 30.874 22.790
126 HB2 LYS 55 2HB LYS 55 18.988 31.963 23.039
127 HB3 LYS 55 3HB LYS 55 18.951 30.890 21.655
128 HG2 LYS 55 2HG LYS 55 17.042 33.215 22.127
129 HG3 LYS 55 3HG LYS 55 18.452 33.224 21.066
130 HD2 LYS 55 2HD LYS 55 17.374 31.313 19.740
131 HD3 LYS 55 3HD LYS 55 15.933 31.526 20.735
132 HE2 LYS 55 2HE LYS 55 15.455 32.757 18.812
133 HE3 LYS 55 3HE LYS 55 15.930 33.974 20.005
134 HZ1 LYS 55 3HZ LYS 55 17.626 32.828 17.886
135 HZ2 LYS 55 1HZ LYS 55 18.125 33.964 18.969
136 HZ3 LYS 55 2HZ LYS 55 16.957 34.328 17.866
137 H GLU 56 H GLU 56 16.764 29.512 20.857
138 HA GLU 56 HA GLU 56 18.093 26.878 21.290
139 HB2 GLU 56 2HB GLU 56 15.663 26.687 21.814
140 HB3 GLU 56 3HB GLU 56 15.255 27.320 20.223
141 HG2 GLU 56 2HG GLU 56 16.261 25.419 19.125
142 HG3 GLU 56 3HG GLU 56 16.832 24.766 20.657
143 H LEU 57 H LEU 57 18.748 25.833 19.430
144 HA LEU 57 HA LEU 57 18.817 27.457 16.951
145 HB2 LEU 57 2HB LEU 57 21.108 26.032 18.346
146 HB3 LEU 57 3HB LEU 57 21.152 26.588 16.646
147 HG LEU 57 HG LEU 57 20.686 28.352 19.051
148 HD11 LEU 57 1HD1 LEU 57 23.214 28.243 17.391
149 HD12 LEU 57 2HD1 LEU 57 23.022 27.629 19.052
150 HD13 LEU 57 3HD1 LEU 57 22.876 29.349 18.727
151 HD21 LEU 57 3HD2 LEU 57 21.142 29.140 16.129
152 HD22 LEU 57 1HD2 LEU 57 21.060 30.284 17.503
153 HD23 LEU 57 2HD2 LEU 57 19.633 29.366 17.053
154 H GLN 58 H GLN 58 19.837 25.835 15.160
155 HA GLN 58 HA GLN 58 18.388 23.230 15.371
156 HB2 GLN 58 2HB GLN 58 17.858 23.470 13.004
157 HB3 GLN 58 3HB GLN 58 17.163 24.753 13.973
158 HG2 GLN 58 2HG GLN 58 18.838 26.377 13.177
159 HG3 GLN 58 3HG GLN 58 19.665 25.126 12.250
160 HE21 GLN 58 2HE2 GLN 58 17.355 25.177 9.559
161 HE22 GLN 58 1HE2 GLN 58 18.706 24.333 10.306
162 H ALA 59 H ALA 59 21.181 24.931 13.896
163 HA ALA 59 HA ALA 59 22.491 22.374 13.129
164 HB1 ALA 59 1HB ALA 59 22.813 24.416 11.802
165 HB2 ALA 59 2HB ALA 59 23.496 25.231 13.227
166 HB3 ALA 59 3HB ALA 59 24.358 23.872 12.475
167 H GLU 60 H GLU 60 22.786 24.812 15.843
168 HA GLU 60 HA GLU 60 25.081 23.361 16.978
169 HB2 GLU 60 2HB GLU 60 23.399 25.745 17.809
170 HB3 GLU 60 3HB GLU 60 24.733 25.135 18.764
171 HG2 GLU 60 2HG GLU 60 25.455 27.068 17.562
172 HG3 GLU 60 3HG GLU 60 26.338 25.632 17.021
173 H SER 61 H SER 61 21.574 23.321 17.323
174 HA SER 61 HA SER 61 21.497 22.074 19.939
175 HB2 SER 61 2HB SER 61 19.594 23.293 19.028
176 HB3 SER 61 3HB SER 61 19.519 22.208 17.631
177 HG SER 61 HG SER 61 18.002 21.681 19.257
178 H ALA 62 H ALA 62 21.618 20.954 16.541
179 HA ALA 62 HA ALA 62 21.606 18.120 17.141
180 HB1 ALA 62 1HB ALA 62 22.412 17.942 14.796
181 HB2 ALA 62 2HB ALA 62 20.983 18.978 14.961
182 HB3 ALA 62 3HB ALA 62 22.587 19.709 14.754
183 H SER 63 H SER 63 24.147 20.640 17.120
184 HA SER 63 HA SER 63 26.370 18.804 17.210
185 HB2 SER 63 2HB SER 63 26.558 21.166 16.522
186 HB3 SER 63 3HB SER 63 26.204 21.679 18.179
187 HG SER 63 HG SER 63 28.502 21.533 17.717
188 H CYS 64 H CYS 64 24.253 20.296 19.688
189 HA CYS 64 HA CYS 64 25.620 19.170 21.955
190 HB2 CYS 64 2HB CYS 64 22.848 20.329 21.489
191 HB3 CYS 64 3HB CYS 64 23.315 19.638 23.024
192 H GLY 65 H GLY 65 23.812 17.720 19.510
193 HA2 GLY 65 2HA GLY 65 23.762 15.317 19.287
194 HA3 GLY 65 3HA GLY 65 23.676 15.164 21.040
195 H LYS 66 H LYS 66 21.786 14.701 21.829
196 HA LYS 66 HA LYS 66 19.248 15.453 20.486
197 HB2 LYS 66 2HB LYS 66 20.010 12.719 21.627
198 HB3 LYS 66 3HB LYS 66 18.390 13.168 21.117
199 HG2 LYS 66 2HG LYS 66 19.195 13.546 18.813
200 HG3 LYS 66 3HG LYS 66 20.832 13.059 19.314
201 HD2 LYS 66 2HD LYS 66 19.931 10.830 19.980
202 HD3 LYS 66 3HD LYS 66 18.332 11.329 19.390
203 HE2 LYS 66 2HE LYS 66 19.305 11.676 17.112
204 HE3 LYS 66 3HE LYS 66 20.897 11.240 17.731
205 HZ1 LYS 66 3HZ LYS 66 18.545 9.476 17.643
206 HZ2 LYS 66 1HZ LYS 66 20.019 9.053 18.239
207 HZ3 LYS 66 2HZ LYS 66 19.847 9.387 16.633
208 H GLY 67 H GLY 67 17.526 15.870 21.835
209 HA2 GLY 67 2HA GLY 67 16.347 16.347 23.734
210 HA3 GLY 67 3HA GLY 67 17.511 15.429 24.685
211 H GLN 68 H GLN 68 19.269 17.748 22.953
212 HA GLN 68 HA GLN 68 19.100 19.798 25.110
213 HB2 GLN 68 2HB GLN 68 21.608 18.579 23.884
214 HB3 GLN 68 3HB GLN 68 21.568 19.955 25.000
215 HG2 GLN 68 2HG GLN 68 20.581 18.484 26.743
216 HG3 GLN 68 3HG GLN 68 20.728 17.101 25.645
217 HE21 GLN 68 2HE2 GLN 68 24.393 17.073 25.768
218 HE22 GLN 68 1HE2 GLN 68 23.135 17.002 24.558
219 H LYS 69 H LYS 69 19.915 21.883 24.491
220 HA LYS 69 HA LYS 69 20.325 22.434 21.624
221 HB2 LYS 69 2HB LYS 69 18.867 24.460 21.930
222 HB3 LYS 69 3HB LYS 69 17.989 22.940 22.001
223 HG2 LYS 69 2HG LYS 69 17.805 23.055 24.422
224 HG3 LYS 69 3HG LYS 69 18.979 24.381 24.504
225 HD2 LYS 69 2HD LYS 69 17.439 25.827 23.254
226 HD3 LYS 69 3HD LYS 69 16.232 24.528 23.228
227 HE2 LYS 69 2HE LYS 69 16.011 24.577 25.631
228 HE3 LYS 69 3HE LYS 69 17.448 25.568 25.818
229 HZ1 LYS 69 3HZ LYS 69 14.972 26.435 24.513
230 HZ2 LYS 69 1HZ LYS 69 16.322 27.352 24.729
231 HZ3 LYS 69 2HZ LYS 69 15.436 26.865 26.033
232 H CYS 70 H CYS 70 21.023 24.722 21.328
233 HA CYS 70 HA CYS 70 23.095 25.467 23.356
234 HB2 CYS 70 2HB CYS 70 23.985 24.582 21.214
235 HB3 CYS 70 3HB CYS 70 23.051 25.819 20.355
236 H CYS 71 H CYS 71 22.603 27.370 24.343
237 HA CYS 71 HA CYS 71 20.712 29.312 23.148
238 HB2 CYS 71 2HB CYS 71 20.775 28.709 25.591
239 HB3 CYS 71 3HB CYS 71 22.340 29.495 25.710
240 H VAL 72 H VAL 72 21.305 31.486 22.660
241 HA VAL 72 HA VAL 72 23.953 31.884 21.506
242 HB VAL 72 HB VAL 72 23.154 34.085 20.915
243 HG11 VAL 72 1HG1 VAL 72 21.343 33.470 19.422
244 HG12 VAL 72 2HG1 VAL 72 22.497 32.124 19.515
245 HG13 VAL 72 3HG1 VAL 72 20.952 32.037 20.398
246 HG21 VAL 72 3HG2 VAL 72 20.843 34.845 21.418
247 HG22 VAL 72 1HG2 VAL 72 20.640 33.482 22.541
248 HG23 VAL 72 2HG2 VAL 72 21.857 34.740 22.873
249 H TRP 73 H TRP 73 25.436 33.507 22.085
250 HA TRP 73 HA TRP 73 26.062 33.677 24.874
251 HB2 TRP 73 2HB TRP 73 27.824 35.324 23.919
252 HB3 TRP 73 3HB TRP 73 27.890 33.631 23.472
253 HD1 TRP 73 HD1 TRP 73 26.443 36.879 21.902
254 HE1 TRP 73 HE1 TRP 73 26.717 36.787 19.388
255 HE3 TRP 73 HE3 TRP 73 28.527 32.234 21.526
256 HZ2 TRP 73 HZ2 TRP 73 27.698 34.898 17.405
257 HZ3 TRP 73 HZ3 TRP 73 29.122 31.306 19.293
258 HH2 TRP 73 HH2 TRP 73 28.694 32.649 17.234
259 H LEU 74 H LEU 74 24.506 35.900 22.603
260 HA LEU 74 HA LEU 74 23.361 37.525 24.724
261 HB2 LEU 74 2HB LEU 74 25.754 38.365 24.425
262 HB3 LEU 74 3HB LEU 74 25.338 38.869 22.802
263 HG LEU 74 HG LEU 74 23.782 39.833 25.255
264 HD11 LEU 74 1HD1 LEU 74 25.262 41.820 25.288
265 HD12 LEU 74 2HD1 LEU 74 26.270 41.091 24.018
266 HD13 LEU 74 3HD1 LEU 74 26.161 40.337 25.627
267 HD21 LEU 74 3HD2 LEU 74 22.697 40.354 23.093
268 HD22 LEU 74 1HD2 LEU 74 24.208 41.079 22.494
269 HD23 LEU 74 2HD2 LEU 74 23.317 41.827 23.834
270 H HIS 75 H HIS 75 21.314 37.518 23.963
271 HA HIS 75 HA HIS 75 20.612 37.133 21.220
272 HB2 HIS 75 2HB HIS 75 19.282 36.330 23.145
273 HB3 HIS 75 3HB HIS 75 18.946 37.993 23.618
274 HD1 HIS 75 HD1 HIS 75 18.669 36.800 19.947
275 HD2 HIS 75 HD2 HIS 75 16.316 37.865 23.286
276 HE1 HIS 75 HE1 HIS 75 16.213 36.953 19.131
277 HE2 HIS 75 HE2 HIS 75 14.820 37.605 21.178
Start of MODEL 8
1 H1 LEU 37 H LEU 37 31.217 31.199 14.971
2 HA LEU 37 HA LEU 37 31.117 33.431 15.677
3 HB2 LEU 37 2HB LEU 37 29.242 34.857 15.198
4 HB3 LEU 37 3HB LEU 37 30.122 34.468 13.740
5 HG LEU 37 HG LEU 37 27.676 32.807 14.395
6 HD11 LEU 37 1HD1 LEU 37 26.201 34.464 13.340
7 HD12 LEU 37 2HD1 LEU 37 27.555 35.611 13.211
8 HD13 LEU 37 3HD1 LEU 37 26.944 35.117 14.806
9 HD21 LEU 37 3HD2 LEU 37 29.039 32.272 12.361
10 HD22 LEU 37 1HD2 LEU 37 28.749 33.921 11.768
11 HD23 LEU 37 2HD2 LEU 37 27.396 32.789 11.964
12 H THR 38 H THR 38 28.839 30.782 15.593
13 HA THR 38 HA THR 38 27.964 31.364 18.386
14 HB THR 38 HB THR 38 26.358 30.101 16.122
15 HG1 THR 38 1HG THR 38 25.284 32.014 16.004
16 HG21 THR 38 1HG2 THR 38 24.397 30.487 17.594
17 HG22 THR 38 2HG2 THR 38 25.481 31.060 18.879
18 HG23 THR 38 3HG2 THR 38 25.544 29.363 18.331
19 H GLY 39 H GLY 39 27.666 29.471 19.739
20 HA2 GLY 39 2HA GLY 39 27.549 26.885 19.042
21 HA3 GLY 39 3HA GLY 39 29.294 27.160 19.096
22 H CYS 40 H CYS 40 27.793 25.445 20.659
23 HA CYS 40 HA CYS 40 28.407 26.320 23.438
24 HB2 CYS 40 2HB CYS 40 26.781 24.572 24.129
25 HB3 CYS 40 3HB CYS 40 26.038 25.850 23.173
26 H LYS 41 H LYS 41 28.896 24.299 24.808
27 HA LYS 41 HA LYS 41 30.285 22.706 25.452
28 HB2 LYS 41 2HB LYS 41 28.706 21.671 23.641
29 HB3 LYS 41 3HB LYS 41 30.218 21.455 22.733
30 HG2 LYS 41 2HG LYS 41 31.143 20.191 24.716
31 HG3 LYS 41 3HG LYS 41 29.594 20.406 25.537
32 HD2 LYS 41 2HD LYS 41 29.979 18.910 22.911
33 HD3 LYS 41 3HD LYS 41 29.876 18.169 24.520
34 HE2 LYS 41 2HE LYS 41 27.625 19.271 24.815
35 HE3 LYS 41 3HE LYS 41 27.713 19.805 23.132
36 HZ1 LYS 41 3HZ LYS 41 27.892 17.466 22.497
37 HZ2 LYS 41 1HZ LYS 41 26.486 17.748 23.305
38 HZ3 LYS 41 2HZ LYS 41 27.734 17.006 24.068
39 H GLY 42 H GLY 42 31.446 25.014 23.615
40 HA2 GLY 42 2HA GLY 42 34.253 24.145 23.986
41 HA3 GLY 42 3HA GLY 42 33.774 24.690 22.365
42 H LYS 43 H LYS 43 32.164 26.801 22.750
43 HA LYS 43 HA LYS 43 34.017 28.877 23.535
44 HB2 LYS 43 2HB LYS 43 31.134 28.960 22.563
45 HB3 LYS 43 3HB LYS 43 32.098 30.396 22.901
46 HG2 LYS 43 2HG LYS 43 32.881 28.261 20.856
47 HG3 LYS 43 3HG LYS 43 32.018 29.756 20.484
48 HD2 LYS 43 2HD LYS 43 33.959 31.048 21.409
49 HD3 LYS 43 3HD LYS 43 34.834 29.505 21.592
50 HE2 LYS 43 2HE LYS 43 34.481 29.046 19.157
51 HE3 LYS 43 3HE LYS 43 33.729 30.629 18.978
52 HZ1 LYS 43 3HZ LYS 43 35.809 31.630 19.757
53 HZ2 LYS 43 1HZ LYS 43 36.102 30.741 18.404
54 HZ3 LYS 43 2HZ LYS 43 36.515 30.153 19.886
55 H GLY 44 H GLY 44 30.620 28.540 24.638
56 HA2 GLY 44 2HA GLY 44 31.410 28.768 27.450
57 HA3 GLY 44 3HA GLY 44 30.638 30.214 26.793
58 H GLY 45 H GLY 45 29.214 27.598 25.188
59 HA2 GLY 45 2HA GLY 45 26.841 27.655 26.949
60 HA3 GLY 45 3HA GLY 45 26.939 27.129 25.266
61 H GLU 46 H GLU 46 25.598 25.574 27.015
62 HA GLU 46 HA GLU 46 27.165 23.077 26.947
63 HB2 GLU 46 2HB GLU 46 25.685 24.109 29.416
64 HB3 GLU 46 3HB GLU 46 26.211 22.438 29.204
65 HG2 GLU 46 2HG GLU 46 28.576 23.298 28.905
66 HG3 GLU 46 3HG GLU 46 27.992 24.875 29.461
67 H CYS 47 H CYS 47 25.716 21.188 27.395
68 HA CYS 47 HA CYS 47 23.246 21.236 25.907
69 HB2 CYS 47 2HB CYS 47 24.556 19.152 27.680
70 HB3 CYS 47 3HB CYS 47 23.055 18.874 26.802
71 H ASN 48 H ASN 48 21.426 22.049 26.657
72 HA ASN 48 HA ASN 48 20.821 22.085 29.581
73 HB2 ASN 48 2HB ASN 48 20.329 24.075 27.335
74 HB3 ASN 48 3HB ASN 48 19.256 24.031 28.721
75 HD21 ASN 48 2HD2 ASN 48 23.150 25.313 29.303
76 HD22 ASN 48 1HD2 ASN 48 22.788 24.284 27.934
77 HA PRO 49 HA PRO 49 17.124 19.766 28.622
78 HB2 PRO 49 3HB PRO 49 16.723 19.710 30.914
79 HB3 PRO 49 2HB PRO 49 15.305 20.690 30.437
80 HG2 PRO 49 2HG PRO 49 16.441 22.728 30.993
81 HG3 PRO 49 3HG PRO 49 17.042 21.642 32.284
82 HD2 PRO 49 2HD PRO 49 18.736 22.966 30.608
83 HD3 PRO 49 3HD PRO 49 19.111 21.321 31.180
84 H LEU 50 H LEU 50 15.199 19.971 27.463
85 HA LEU 50 HA LEU 50 15.048 22.108 25.624
86 HB2 LEU 50 2HB LEU 50 13.027 19.975 26.388
87 HB3 LEU 50 3HB LEU 50 12.924 20.927 24.915
88 HG LEU 50 HG LEU 50 15.401 19.246 25.503
89 HD11 LEU 50 1HD1 LEU 50 12.830 18.331 24.166
90 HD12 LEU 50 2HD1 LEU 50 13.451 17.807 25.748
91 HD13 LEU 50 3HD1 LEU 50 14.353 17.410 24.262
92 HD21 LEU 50 3HD2 LEU 50 15.764 19.327 23.156
93 HD22 LEU 50 1HD2 LEU 50 15.406 20.978 23.683
94 HD23 LEU 50 2HD2 LEU 50 14.146 20.039 22.863
95 H ASP 51 H ASP 51 13.288 21.521 28.614
96 HA ASP 51 HA ASP 51 11.282 23.510 28.485
97 HB2 ASP 51 2HB ASP 51 12.834 22.434 30.877
98 HB3 ASP 51 3HB ASP 51 11.353 23.385 30.984
99 H ARG 52 H ARG 52 14.753 23.995 28.834
100 HA ARG 52 HA ARG 52 14.592 26.644 30.035
101 HB2 ARG 52 2HB ARG 52 16.621 25.187 30.189
102 HB3 ARG 52 3HB ARG 52 16.826 25.328 28.441
103 HG2 ARG 52 2HG ARG 52 18.322 26.906 29.428
104 HG3 ARG 52 3HG ARG 52 17.018 27.826 28.710
105 HD2 ARG 52 2HD ARG 52 17.094 28.907 30.705
106 HD3 ARG 52 3HD ARG 52 15.982 27.652 31.208
107 HE ARG 52 HE ARG 52 18.883 27.859 31.800
108 HH11 ARG 52 1HH1 ARG 52 15.859 26.070 32.456
109 HH12 ARG 52 2HH1 ARG 52 16.546 25.243 33.829
110 HH21 ARG 52 2HH2 ARG 52 18.685 25.673 34.486
111 HH22 ARG 52 1HH2 ARG 52 19.701 26.766 33.575
112 H GLN 53 H GLN 53 14.049 28.443 29.046
113 HA GLN 53 HA GLN 53 13.927 28.674 26.101
114 HB2 GLN 53 2HB GLN 53 13.232 30.642 28.319
115 HB3 GLN 53 3HB GLN 53 13.076 30.964 26.598
116 HG2 GLN 53 2HG GLN 53 11.548 28.881 28.208
117 HG3 GLN 53 3HG GLN 53 10.905 30.367 27.515
118 HE21 GLN 53 2HE2 GLN 53 10.376 27.145 25.365
119 HE22 GLN 53 1HE2 GLN 53 10.422 27.280 27.105
120 H CYS 54 H CYS 54 15.983 28.593 25.390
121 HA CYS 54 HA CYS 54 17.784 30.843 26.027
122 HB2 CYS 54 2HB CYS 54 18.603 29.045 27.491
123 HB3 CYS 54 3HB CYS 54 18.591 27.898 26.158
124 H LYS 55 H LYS 55 18.376 27.878 24.164
125 HA LYS 55 HA LYS 55 17.653 29.102 21.615
126 HB2 LYS 55 2HB LYS 55 20.241 29.540 22.425
127 HB3 LYS 55 3HB LYS 55 20.427 27.950 21.718
128 HG2 LYS 55 2HG LYS 55 20.915 29.456 19.976
129 HG3 LYS 55 3HG LYS 55 19.278 28.910 19.605
130 HD2 LYS 55 2HD LYS 55 18.338 30.981 20.561
131 HD3 LYS 55 3HD LYS 55 19.948 31.482 21.118
132 HE2 LYS 55 2HE LYS 55 20.735 31.547 18.762
133 HE3 LYS 55 3HE LYS 55 19.115 31.087 18.213
134 HZ1 LYS 55 3HZ LYS 55 19.779 33.518 19.733
135 HZ2 LYS 55 1HZ LYS 55 18.279 33.097 19.207
136 HZ3 LYS 55 2HZ LYS 55 19.466 33.449 18.119
137 H GLU 56 H GLU 56 17.912 27.455 19.842
138 HA GLU 56 HA GLU 56 18.439 24.698 20.582
139 HB2 GLU 56 2HB GLU 56 16.024 25.110 21.200
140 HB3 GLU 56 3HB GLU 56 15.681 25.416 19.492
141 HG2 GLU 56 2HG GLU 56 16.274 23.122 18.919
142 HG3 GLU 56 3HG GLU 56 16.932 22.832 20.532
143 H LEU 57 H LEU 57 18.971 23.468 18.779
144 HA LEU 57 HA LEU 57 18.978 24.720 16.085
145 HB2 LEU 57 2HB LEU 57 21.313 23.547 17.644
146 HB3 LEU 57 3HB LEU 57 21.363 23.726 15.894
147 HG LEU 57 HG LEU 57 20.873 26.065 17.777
148 HD11 LEU 57 1HD1 LEU 57 23.484 25.174 16.491
149 HD12 LEU 57 2HD1 LEU 57 23.105 25.168 18.229
150 HD13 LEU 57 3HD1 LEU 57 23.235 26.700 17.363
151 HD21 LEU 57 3HD2 LEU 57 21.723 26.018 14.845
152 HD22 LEU 57 1HD2 LEU 57 21.487 27.460 15.850
153 HD23 LEU 57 2HD2 LEU 57 20.102 26.446 15.434
154 H GLN 58 H GLN 58 19.931 22.912 14.529
155 HA GLN 58 HA GLN 58 18.453 20.380 15.075
156 HB2 GLN 58 2HB GLN 58 17.983 20.223 12.715
157 HB3 GLN 58 3HB GLN 58 17.361 21.728 13.394
158 HG2 GLN 58 2HG GLN 58 19.294 22.962 12.437
159 HG3 GLN 58 3HG GLN 58 19.878 21.461 11.702
160 HE21 GLN 58 2HE2 GLN 58 18.153 23.258 9.007
161 HE22 GLN 58 1HE2 GLN 58 19.596 23.438 9.986
162 H ALA 59 H ALA 59 21.392 21.819 13.695
163 HA ALA 59 HA ALA 59 22.651 19.224 13.192
164 HB1 ALA 59 1HB ALA 59 23.797 22.050 13.148
165 HB2 ALA 59 2HB ALA 59 24.564 20.588 12.500
166 HB3 ALA 59 3HB ALA 59 23.073 21.202 11.759
167 H GLU 60 H GLU 60 22.568 21.608 15.833
168 HA GLU 60 HA GLU 60 24.910 20.330 17.113
169 HB2 GLU 60 2HB GLU 60 24.653 22.873 16.473
170 HB3 GLU 60 3HB GLU 60 23.647 22.943 17.919
171 HG2 GLU 60 2HG GLU 60 25.913 23.606 18.476
172 HG3 GLU 60 3HG GLU 60 25.579 22.069 19.264
173 H SER 61 H SER 61 21.456 20.512 17.481
174 HA SER 61 HA SER 61 21.339 19.897 20.309
175 HB2 SER 61 2HB SER 61 19.042 19.179 19.793
176 HB3 SER 61 3HB SER 61 19.406 20.774 19.109
177 HG SER 61 HG SER 61 18.364 19.439 17.577
178 H ALA 62 H ALA 62 21.904 18.076 17.330
179 HA ALA 62 HA ALA 62 21.578 15.426 18.343
180 HB1 ALA 62 1HB ALA 62 21.523 16.013 15.946
181 HB2 ALA 62 2HB ALA 62 23.224 16.529 16.019
182 HB3 ALA 62 3HB ALA 62 22.800 14.823 16.272
183 H SER 63 H SER 63 24.170 17.773 18.728
184 HA SER 63 HA SER 63 26.298 15.931 19.364
185 HB2 SER 63 2HB SER 63 26.575 18.349 18.702
186 HB3 SER 63 3HB SER 63 25.896 18.810 20.276
187 HG SER 63 HG SER 63 28.170 18.753 20.287
188 H CYS 64 H CYS 64 23.718 17.554 21.246
189 HA CYS 64 HA CYS 64 24.508 16.422 23.822
190 HB2 CYS 64 2HB CYS 64 21.975 17.807 22.882
191 HB3 CYS 64 3HB CYS 64 22.381 17.397 24.545
192 H GLY 65 H GLY 65 22.688 15.313 21.072
193 HA2 GLY 65 2HA GLY 65 22.162 13.079 20.726
194 HA3 GLY 65 3HA GLY 65 22.040 12.787 22.464
195 H LYS 66 H LYS 66 20.037 12.343 23.050
196 HA LYS 66 HA LYS 66 17.681 13.692 21.791
197 HB2 LYS 66 2HB LYS 66 18.080 10.765 22.502
198 HB3 LYS 66 3HB LYS 66 16.495 11.506 22.388
199 HG2 LYS 66 2HG LYS 66 16.683 10.609 20.310
200 HG3 LYS 66 3HG LYS 66 17.172 12.273 20.004
201 HD2 LYS 66 2HD LYS 66 19.561 11.563 20.013
202 HD3 LYS 66 3HD LYS 66 19.074 9.900 20.375
203 HE2 LYS 66 2HE LYS 66 18.265 11.477 17.892
204 HE3 LYS 66 3HE LYS 66 19.604 10.322 17.968
205 HZ1 LYS 66 3HZ LYS 66 18.017 8.604 18.517
206 HZ2 LYS 66 1HZ LYS 66 17.636 9.312 17.081
207 HZ3 LYS 66 2HZ LYS 66 16.770 9.674 18.426
208 H GLY 67 H GLY 67 17.005 15.094 23.213
209 HA2 GLY 67 2HA GLY 67 15.425 15.155 25.134
210 HA3 GLY 67 3HA GLY 67 16.645 14.302 26.072
211 H GLN 68 H GLN 68 18.522 16.306 24.297
212 HA GLN 68 HA GLN 68 18.183 18.792 25.907
213 HB2 GLN 68 2HB GLN 68 20.674 17.103 25.732
214 HB3 GLN 68 3HB GLN 68 20.624 18.787 26.279
215 HG2 GLN 68 2HG GLN 68 19.051 18.107 28.126
216 HG3 GLN 68 3HG GLN 68 19.161 16.440 27.576
217 HE21 GLN 68 2HE2 GLN 68 22.214 15.740 29.164
218 HE22 GLN 68 1HE2 GLN 68 20.975 15.173 28.050
219 H LYS 69 H LYS 69 19.606 20.525 25.075
220 HA LYS 69 HA LYS 69 20.245 20.364 22.212
221 HB2 LYS 69 2HB LYS 69 18.891 22.535 21.888
222 HB3 LYS 69 3HB LYS 69 17.996 21.048 22.049
223 HG2 LYS 69 2HG LYS 69 16.927 22.879 23.263
224 HG3 LYS 69 3HG LYS 69 17.386 21.589 24.366
225 HD2 LYS 69 2HD LYS 69 19.247 22.865 25.219
226 HD3 LYS 69 3HD LYS 69 18.983 24.163 24.037
227 HE2 LYS 69 2HE LYS 69 16.896 23.204 26.026
228 HE3 LYS 69 3HE LYS 69 18.036 24.504 26.385
229 HZ1 LYS 69 3HZ LYS 69 16.005 25.412 25.620
230 HZ2 LYS 69 1HZ LYS 69 16.018 24.505 24.252
231 HZ3 LYS 69 2HZ LYS 69 17.144 25.676 24.455
232 H CYS 70 H CYS 70 21.103 22.493 21.402
233 HA CYS 70 HA CYS 70 23.353 23.300 23.076
234 HB2 CYS 70 2HB CYS 70 23.417 22.812 20.598
235 HB3 CYS 70 3HB CYS 70 22.440 24.252 20.335
236 H CYS 71 H CYS 71 23.572 25.273 24.085
237 HA CYS 71 HA CYS 71 21.437 27.351 23.866
238 HB2 CYS 71 2HB CYS 71 20.879 26.079 25.798
239 HB3 CYS 71 3HB CYS 71 22.558 25.969 26.299
240 H VAL 72 H VAL 72 22.152 29.381 23.831
241 HA VAL 72 HA VAL 72 24.903 29.921 23.236
242 HB VAL 72 HB VAL 72 24.122 32.277 23.037
243 HG11 VAL 72 1HG1 VAL 72 22.643 31.928 21.110
244 HG12 VAL 72 2HG1 VAL 72 23.998 30.789 21.109
245 HG13 VAL 72 3HG1 VAL 72 22.390 30.240 21.604
246 HG21 VAL 72 3HG2 VAL 72 21.353 31.252 23.775
247 HG22 VAL 72 1HG2 VAL 72 22.372 32.292 24.798
248 HG23 VAL 72 2HG2 VAL 72 21.788 32.882 23.234
249 H TRP 73 H TRP 73 25.987 31.896 24.186
250 HA TRP 73 HA TRP 73 25.940 31.872 27.164
251 HB2 TRP 73 2HB TRP 73 28.345 32.464 26.982
252 HB3 TRP 73 3HB TRP 73 27.943 30.870 26.366
253 HD1 TRP 73 HD1 TRP 73 28.439 30.338 23.892
254 HE1 TRP 73 HE1 TRP 73 29.507 31.566 21.924
255 HE3 TRP 73 HE3 TRP 73 28.720 35.020 25.931
256 HZ2 TRP 73 HZ2 TRP 73 30.326 34.269 21.282
257 HZ3 TRP 73 HZ3 TRP 73 29.622 36.907 24.611
258 HH2 TRP 73 HH2 TRP 73 30.422 36.546 22.282
259 H LEU 74 H LEU 74 25.549 33.831 24.299
260 HA LEU 74 HA LEU 74 25.986 36.432 25.437
261 HB2 LEU 74 2HB LEU 74 24.217 35.377 23.199
262 HB3 LEU 74 3HB LEU 74 24.262 37.084 23.623
263 HG LEU 74 HG LEU 74 26.768 35.554 22.812
264 HD11 LEU 74 1HD1 LEU 74 25.115 35.485 20.971
265 HD12 LEU 74 2HD1 LEU 74 26.464 36.561 20.573
266 HD13 LEU 74 3HD1 LEU 74 24.905 37.246 21.081
267 HD21 LEU 74 3HD2 LEU 74 27.646 37.809 22.316
268 HD22 LEU 74 1HD2 LEU 74 27.220 37.647 24.023
269 HD23 LEU 74 2HD2 LEU 74 26.141 38.537 22.920
270 H HIS 75 H HIS 75 24.597 37.834 26.455
271 HA HIS 75 HA HIS 75 22.497 36.722 28.105
272 HB2 HIS 75 2HB HIS 75 23.485 39.571 27.693
273 HB3 HIS 75 3HB HIS 75 22.311 39.070 28.910
274 HD1 HIS 75 HD1 HIS 75 25.825 39.816 28.793
275 HD2 HIS 75 HD2 HIS 75 23.440 36.750 30.450
276 HE1 HIS 75 HE1 HIS 75 27.220 38.718 30.655
277 HE2 HIS 75 HE2 HIS 75 25.761 36.867 31.664
Start of MODEL 9
1 H1 LEU 37 H LEU 37 34.974 21.190 15.602
2 HA LEU 37 HA LEU 37 34.056 23.666 14.360
3 HB2 LEU 37 2HB LEU 37 33.414 22.481 12.439
4 HB3 LEU 37 3HB LEU 37 35.090 22.131 12.787
5 HG LEU 37 HG LEU 37 33.936 19.992 14.035
6 HD11 LEU 37 1HD1 LEU 37 31.611 20.710 13.244
7 HD12 LEU 37 2HD1 LEU 37 32.092 19.102 12.702
8 HD13 LEU 37 3HD1 LEU 37 32.163 20.473 11.593
9 HD21 LEU 37 3HD2 LEU 37 35.738 19.843 12.377
10 HD22 LEU 37 1HD2 LEU 37 34.590 20.170 11.069
11 HD23 LEU 37 2HD2 LEU 37 34.466 18.677 12.016
12 H THR 38 H THR 38 33.178 20.880 16.347
13 HA THR 38 HA THR 38 30.348 21.766 16.331
14 HB THR 38 HB THR 38 30.791 19.681 15.028
15 HG1 THR 38 1HG THR 38 29.054 18.619 15.915
16 HG21 THR 38 1HG2 THR 38 31.166 17.577 16.180
17 HG22 THR 38 2HG2 THR 38 31.357 18.407 17.734
18 HG23 THR 38 3HG2 THR 38 32.546 18.646 16.433
19 H GLY 39 H GLY 39 29.173 20.777 18.285
20 HA2 GLY 39 2HA GLY 39 29.041 20.338 20.578
21 HA3 GLY 39 3HA GLY 39 30.710 20.861 20.806
22 H CYS 40 H CYS 40 28.054 21.665 22.060
23 HA CYS 40 HA CYS 40 27.588 24.444 21.529
24 HB2 CYS 40 2HB CYS 40 27.163 22.782 24.037
25 HB3 CYS 40 3HB CYS 40 26.561 24.416 23.791
26 H LYS 41 H LYS 41 29.591 22.735 24.006
27 HA LYS 41 HA LYS 41 30.840 25.025 25.106
28 HB2 LYS 41 2HB LYS 41 32.336 23.506 26.165
29 HB3 LYS 41 3HB LYS 41 30.746 22.765 26.113
30 HG2 LYS 41 2HG LYS 41 31.980 20.944 25.539
31 HG3 LYS 41 3HG LYS 41 31.683 21.573 23.929
32 HD2 LYS 41 2HD LYS 41 33.963 20.990 23.958
33 HD3 LYS 41 3HD LYS 41 33.976 22.740 24.106
34 HE2 LYS 41 2HE LYS 41 35.562 22.063 25.653
35 HE3 LYS 41 3HE LYS 41 34.130 22.365 26.664
36 HZ1 LYS 41 3HZ LYS 41 35.048 19.760 25.678
37 HZ2 LYS 41 1HZ LYS 41 33.719 20.011 26.623
38 HZ3 LYS 41 2HZ LYS 41 35.230 20.348 27.208
39 H GLY 42 H GLY 42 31.470 23.299 22.166
40 HA2 GLY 42 2HA GLY 42 34.148 24.149 21.638
41 HA3 GLY 42 3HA GLY 42 32.988 23.501 20.473
42 H LYS 43 H LYS 43 31.282 26.016 21.619
43 HA LYS 43 HA LYS 43 32.613 28.132 19.999
44 HB2 LYS 43 2HB LYS 43 29.648 27.403 20.015
45 HB3 LYS 43 3HB LYS 43 30.331 28.871 19.306
46 HG2 LYS 43 2HG LYS 43 31.794 27.357 17.859
47 HG3 LYS 43 3HG LYS 43 30.828 26.002 18.457
48 HD2 LYS 43 2HD LYS 43 29.864 26.628 16.361
49 HD3 LYS 43 3HD LYS 43 28.758 27.224 17.599
50 HE2 LYS 43 2HE LYS 43 28.947 28.935 15.961
51 HE3 LYS 43 3HE LYS 43 29.826 29.502 17.386
52 HZ1 LYS 43 3HZ LYS 43 31.055 29.906 15.399
53 HZ2 LYS 43 1HZ LYS 43 31.006 28.320 14.966
54 HZ3 LYS 43 2HZ LYS 43 31.864 28.785 16.298
55 H GLY 44 H GLY 44 30.408 27.367 22.722
56 HA2 GLY 44 2HA GLY 44 31.214 28.843 24.702
57 HA3 GLY 44 3HA GLY 44 30.597 30.166 23.715
58 H GLY 45 H GLY 45 28.578 27.544 23.109
59 HA2 GLY 45 2HA GLY 45 26.470 28.487 24.945
60 HA3 GLY 45 3HA GLY 45 26.309 27.363 23.591
61 H GLU 46 H GLU 46 25.013 26.459 25.619
62 HA GLU 46 HA GLU 46 26.662 24.194 26.602
63 HB2 GLU 46 2HB GLU 46 24.773 25.907 28.266
64 HB3 GLU 46 3HB GLU 46 25.222 24.253 28.702
65 HG2 GLU 46 2HG GLU 46 27.627 24.902 28.693
66 HG3 GLU 46 3HG GLU 46 27.168 26.573 28.333
67 H CYS 47 H CYS 47 25.674 22.266 26.683
68 HA CYS 47 HA CYS 47 23.179 21.805 25.293
69 HB2 CYS 47 2HB CYS 47 25.043 20.037 26.918
70 HB3 CYS 47 3HB CYS 47 23.571 19.450 26.141
71 H ASN 48 H ASN 48 21.258 21.371 26.128
72 HA ASN 48 HA ASN 48 20.669 21.358 29.019
73 HB2 ASN 48 2HB ASN 48 19.791 23.413 26.942
74 HB3 ASN 48 3HB ASN 48 18.761 23.078 28.323
75 HD21 ASN 48 2HD2 ASN 48 22.143 25.283 28.851
76 HD22 ASN 48 1HD2 ASN 48 21.799 24.592 27.272
77 HA PRO 49 HA PRO 49 17.567 18.455 27.626
78 HB2 PRO 49 3HB PRO 49 16.950 18.125 29.831
79 HB3 PRO 49 2HB PRO 49 15.417 18.876 29.293
80 HG2 PRO 49 2HG PRO 49 16.085 21.019 30.103
81 HG3 PRO 49 3HG PRO 49 16.784 19.946 31.361
82 HD2 PRO 49 2HD PRO 49 18.309 21.720 29.987
83 HD3 PRO 49 3HD PRO 49 18.946 20.113 30.433
84 H LEU 50 H LEU 50 15.471 18.260 26.584
85 HA LEU 50 HA LEU 50 14.752 20.325 24.743
86 HB2 LEU 50 2HB LEU 50 13.184 17.922 25.739
87 HB3 LEU 50 3HB LEU 50 12.821 18.834 24.286
88 HG LEU 50 HG LEU 50 15.478 17.376 24.649
89 HD11 LEU 50 1HD1 LEU 50 13.689 15.759 24.921
90 HD12 LEU 50 2HD1 LEU 50 14.473 15.531 23.354
91 HD13 LEU 50 3HD1 LEU 50 12.894 16.336 23.444
92 HD21 LEU 50 3HD2 LEU 50 15.538 17.431 22.185
93 HD22 LEU 50 1HD2 LEU 50 15.445 19.056 22.843
94 HD23 LEU 50 2HD2 LEU 50 13.998 18.307 22.154
95 H ASP 51 H ASP 51 13.554 19.330 27.879
96 HA ASP 51 HA ASP 51 11.261 21.074 28.033
97 HB2 ASP 51 2HB ASP 51 12.697 19.459 30.181
98 HB3 ASP 51 3HB ASP 51 11.060 20.124 30.279
99 H ARG 52 H ARG 52 13.205 22.851 27.382
100 HA ARG 52 HA ARG 52 13.654 24.371 29.890
101 HB2 ARG 52 2HB ARG 52 15.691 23.099 28.869
102 HB3 ARG 52 3HB ARG 52 15.681 24.391 27.670
103 HG2 ARG 52 2HG ARG 52 17.189 24.931 29.499
104 HG3 ARG 52 3HG ARG 52 15.843 26.071 29.555
105 HD2 ARG 52 2HD ARG 52 15.617 23.517 31.178
106 HD3 ARG 52 3HD ARG 52 16.776 24.724 31.692
107 HE ARG 52 HE ARG 52 14.129 25.822 31.246
108 HH11 ARG 52 1HH1 ARG 52 16.211 24.274 33.685
109 HH12 ARG 52 2HH1 ARG 52 15.322 24.999 35.011
110 HH21 ARG 52 2HH2 ARG 52 13.548 26.321 34.631
111 HH22 ARG 52 1HH2 ARG 52 12.991 26.644 33.002
112 H GLN 53 H GLN 53 13.843 26.651 29.627
113 HA GLN 53 HA GLN 53 12.266 27.776 27.477
114 HB2 GLN 53 2HB GLN 53 12.307 29.843 28.811
115 HB3 GLN 53 3HB GLN 53 11.734 28.456 29.724
116 HG2 GLN 53 2HG GLN 53 13.883 28.261 30.892
117 HG3 GLN 53 3HG GLN 53 14.594 29.516 29.869
118 HE21 GLN 53 2HE2 GLN 53 11.788 30.680 32.712
119 HE22 GLN 53 1HE2 GLN 53 11.620 29.119 31.934
120 H CYS 54 H CYS 54 15.271 26.896 27.303
121 HA CYS 54 HA CYS 54 16.626 29.240 26.220
122 HB2 CYS 54 2HB CYS 54 17.091 26.270 26.168
123 HB3 CYS 54 3HB CYS 54 18.045 27.336 25.162
124 H LYS 55 H LYS 55 17.250 29.443 24.047
125 HA LYS 55 HA LYS 55 15.138 28.983 22.064
126 HB2 LYS 55 2HB LYS 55 16.300 31.184 22.327
127 HB3 LYS 55 3HB LYS 55 17.801 30.427 21.784
128 HG2 LYS 55 2HG LYS 55 16.672 29.845 19.614
129 HG3 LYS 55 3HG LYS 55 15.206 30.658 20.196
130 HD2 LYS 55 2HD LYS 55 16.533 32.793 20.424
131 HD3 LYS 55 3HD LYS 55 17.945 31.945 19.784
132 HE2 LYS 55 2HE LYS 55 17.046 33.151 17.976
133 HE3 LYS 55 3HE LYS 55 16.622 31.454 17.691
134 HZ1 LYS 55 3HZ LYS 55 14.427 31.937 18.529
135 HZ2 LYS 55 1HZ LYS 55 14.797 32.948 17.280
136 HZ3 LYS 55 2HZ LYS 55 14.839 33.503 18.829
137 H GLU 56 H GLU 56 15.093 26.926 21.427
138 HA GLU 56 HA GLU 56 17.293 25.137 21.190
139 HB2 GLU 56 2HB GLU 56 14.979 24.458 21.654
140 HB3 GLU 56 3HB GLU 56 14.457 25.059 20.076
141 HG2 GLU 56 2HG GLU 56 15.829 23.367 18.946
142 HG3 GLU 56 3HG GLU 56 16.483 22.824 20.498
143 H LEU 57 H LEU 57 18.820 25.108 19.698
144 HA LEU 57 HA LEU 57 18.625 26.400 17.089
145 HB2 LEU 57 2HB LEU 57 20.741 24.739 18.526
146 HB3 LEU 57 3HB LEU 57 20.991 25.354 16.903
147 HG LEU 57 HG LEU 57 20.418 27.058 19.348
148 HD11 LEU 57 1HD1 LEU 57 22.632 26.099 19.519
149 HD12 LEU 57 2HD1 LEU 57 22.760 27.817 19.149
150 HD13 LEU 57 3HD1 LEU 57 23.027 26.625 17.860
151 HD21 LEU 57 3HD2 LEU 57 21.165 27.907 16.517
152 HD22 LEU 57 1HD2 LEU 57 21.121 28.992 17.920
153 HD23 LEU 57 2HD2 LEU 57 19.633 28.249 17.353
154 H GLN 58 H GLN 58 19.680 24.973 15.245
155 HA GLN 58 HA GLN 58 18.067 22.475 15.016
156 HB2 GLN 58 2HB GLN 58 17.710 22.888 12.705
157 HB3 GLN 58 3HB GLN 58 17.174 24.280 13.639
158 HG2 GLN 58 2HG GLN 58 19.274 25.486 13.012
159 HG3 GLN 58 3HG GLN 58 19.758 24.097 12.024
160 HE21 GLN 58 2HE2 GLN 58 17.815 25.076 9.258
161 HE22 GLN 58 1HE2 GLN 58 18.953 23.928 9.928
162 H ALA 59 H ALA 59 21.145 24.041 14.124
163 HA ALA 59 HA ALA 59 22.313 21.559 13.123
164 HB1 ALA 59 1HB ALA 59 23.517 24.292 13.716
165 HB2 ALA 59 2HB ALA 59 24.320 22.960 12.868
166 HB3 ALA 59 3HB ALA 59 22.898 23.733 12.147
167 H GLU 60 H GLU 60 22.493 23.564 16.124
168 HA GLU 60 HA GLU 60 24.693 21.909 17.122
169 HB2 GLU 60 2HB GLU 60 24.401 24.516 17.075
170 HB3 GLU 60 3HB GLU 60 23.481 24.256 18.554
171 HG2 GLU 60 2HG GLU 60 25.413 23.299 19.669
172 HG3 GLU 60 3HG GLU 60 26.284 23.110 18.151
173 H SER 61 H SER 61 21.255 22.022 17.533
174 HA SER 61 HA SER 61 21.097 20.980 20.209
175 HB2 SER 61 2HB SER 61 19.204 20.939 17.833
176 HB3 SER 61 3HB SER 61 18.781 20.335 19.450
177 HG SER 61 HG SER 61 18.329 22.654 18.862
178 H ALA 62 H ALA 62 21.298 19.500 16.949
179 HA ALA 62 HA ALA 62 21.173 16.763 17.835
180 HB1 ALA 62 1HB ALA 62 20.637 17.487 15.535
181 HB2 ALA 62 2HB ALA 62 22.322 18.007 15.309
182 HB3 ALA 62 3HB ALA 62 21.940 16.286 15.562
183 H SER 63 H SER 63 23.682 19.142 18.051
184 HA SER 63 HA SER 63 25.990 17.407 17.889
185 HB2 SER 63 2HB SER 63 25.932 19.931 17.642
186 HB3 SER 63 3HB SER 63 25.787 20.005 19.417
187 HG SER 63 HG SER 63 27.883 18.908 17.871
188 H CYS 64 H CYS 64 23.833 18.410 20.589
189 HA CYS 64 HA CYS 64 25.467 17.450 22.708
190 HB2 CYS 64 2HB CYS 64 22.461 17.898 22.554
191 HB3 CYS 64 3HB CYS 64 23.401 17.639 24.017
192 H GLY 65 H GLY 65 22.900 15.908 20.782
193 HA2 GLY 65 2HA GLY 65 23.362 13.447 20.413
194 HA3 GLY 65 3HA GLY 65 23.347 13.324 22.154
195 H LYS 66 H LYS 66 21.663 11.710 21.372
196 HA LYS 66 HA LYS 66 19.081 12.545 20.540
197 HB2 LYS 66 2HB LYS 66 20.119 10.233 20.310
198 HB3 LYS 66 3HB LYS 66 19.914 10.033 22.042
199 HG2 LYS 66 2HG LYS 66 18.063 8.917 21.046
200 HG3 LYS 66 3HG LYS 66 17.415 10.404 21.718
201 HD2 LYS 66 2HD LYS 66 16.415 10.074 19.570
202 HD3 LYS 66 3HD LYS 66 17.539 11.425 19.385
203 HE2 LYS 66 2HE LYS 66 19.228 9.854 18.429
204 HE3 LYS 66 3HE LYS 66 18.095 8.519 18.653
205 HZ1 LYS 66 3HZ LYS 66 17.694 10.853 16.912
206 HZ2 LYS 66 1HZ LYS 66 16.602 9.649 17.132
207 HZ3 LYS 66 2HZ LYS 66 18.044 9.332 16.418
208 H GLY 67 H GLY 67 17.457 13.427 21.695
209 HA2 GLY 67 2HA GLY 67 15.996 13.745 23.435
210 HA3 GLY 67 3HA GLY 67 17.032 12.821 24.510
211 H GLN 68 H GLN 68 18.864 15.244 22.991
212 HA GLN 68 HA GLN 68 18.378 17.305 25.060
213 HB2 GLN 68 2HB GLN 68 20.906 17.500 25.283
214 HB3 GLN 68 3HB GLN 68 20.089 16.183 26.126
215 HG2 GLN 68 2HG GLN 68 20.756 14.615 24.319
216 HG3 GLN 68 3HG GLN 68 21.646 15.925 23.541
217 HE21 GLN 68 2HE2 GLN 68 23.892 15.870 26.659
218 HE22 GLN 68 1HE2 GLN 68 22.667 17.029 26.199
219 H LYS 69 H LYS 69 19.286 19.369 24.541
220 HA LYS 69 HA LYS 69 19.907 19.878 21.715
221 HB2 LYS 69 2HB LYS 69 18.103 21.491 21.517
222 HB3 LYS 69 3HB LYS 69 17.512 19.888 21.849
223 HG2 LYS 69 2HG LYS 69 16.140 21.170 23.131
224 HG3 LYS 69 3HG LYS 69 17.315 20.688 24.344
225 HD2 LYS 69 2HD LYS 69 18.351 22.914 24.263
226 HD3 LYS 69 3HD LYS 69 17.453 23.312 22.779
227 HE2 LYS 69 2HE LYS 69 15.358 22.794 24.296
228 HE3 LYS 69 3HE LYS 69 16.488 23.144 25.612
229 HZ1 LYS 69 3HZ LYS 69 15.845 24.899 23.331
230 HZ2 LYS 69 1HZ LYS 69 16.911 25.279 24.515
231 HZ3 LYS 69 2HZ LYS 69 15.302 25.120 24.853
232 H CYS 70 H CYS 70 20.100 22.539 21.567
233 HA CYS 70 HA CYS 70 22.112 23.206 23.668
234 HB2 CYS 70 2HB CYS 70 22.745 22.712 21.214
235 HB3 CYS 70 3HB CYS 70 22.066 24.295 20.867
236 H CYS 71 H CYS 71 22.571 25.582 23.848
237 HA CYS 71 HA CYS 71 20.132 27.283 23.760
238 HB2 CYS 71 2HB CYS 71 20.412 26.123 25.953
239 HB3 CYS 71 3HB CYS 71 21.987 26.886 26.133
240 H VAL 72 H VAL 72 20.502 29.412 23.390
241 HA VAL 72 HA VAL 72 23.018 30.337 22.304
242 HB VAL 72 HB VAL 72 21.834 32.465 22.032
243 HG11 VAL 72 1HG1 VAL 72 20.190 31.733 20.423
244 HG12 VAL 72 2HG1 VAL 72 21.612 30.685 20.339
245 HG13 VAL 72 3HG1 VAL 72 20.133 30.104 21.133
246 HG21 VAL 72 3HG2 VAL 72 19.464 31.140 23.417
247 HG22 VAL 72 1HG2 VAL 72 20.432 32.479 24.068
248 HG23 VAL 72 2HG2 VAL 72 19.458 32.718 22.610
249 H TRP 73 H TRP 73 23.818 32.506 22.905
250 HA TRP 73 HA TRP 73 24.372 32.703 25.828
251 HB2 TRP 73 2HB TRP 73 26.593 33.582 25.032
252 HB3 TRP 73 3HB TRP 73 26.283 31.879 24.748
253 HD1 TRP 73 HD1 TRP 73 25.872 35.132 22.673
254 HE1 TRP 73 HE1 TRP 73 26.565 34.699 20.263
255 HE3 TRP 73 HE3 TRP 73 26.801 30.164 23.049
256 HZ2 TRP 73 HZ2 TRP 73 27.542 32.449 18.694
257 HZ3 TRP 73 HZ3 TRP 73 27.619 28.861 21.078
258 HH2 TRP 73 HH2 TRP 73 27.997 30.002 18.905
259 H LEU 74 H LEU 74 23.199 34.404 23.015
260 HA LEU 74 HA LEU 74 23.624 37.087 24.032
261 HB2 LEU 74 2HB LEU 74 21.803 35.948 21.890
262 HB3 LEU 74 3HB LEU 74 21.815 37.651 22.318
263 HG LEU 74 HG LEU 74 24.218 36.130 21.241
264 HD11 LEU 74 1HD1 LEU 74 22.415 36.424 19.577
265 HD12 LEU 74 2HD1 LEU 74 23.816 37.424 19.186
266 HD13 LEU 74 3HD1 LEU 74 22.378 38.162 19.913
267 HD21 LEU 74 3HD2 LEU 74 24.987 38.018 22.621
268 HD22 LEU 74 1HD2 LEU 74 23.829 39.100 21.835
269 HD23 LEU 74 2HD2 LEU 74 25.189 38.431 20.926
270 H HIS 75 H HIS 75 22.865 37.522 25.966
271 HA HIS 75 HA HIS 75 20.380 36.600 27.096
272 HB2 HIS 75 2HB HIS 75 22.258 38.862 27.887
273 HB3 HIS 75 3HB HIS 75 20.926 38.251 28.865
274 HD1 HIS 75 HD1 HIS 75 23.863 38.140 30.003
275 HD2 HIS 75 HD2 HIS 75 21.933 35.049 27.876
276 HE1 HIS 75 HE1 HIS 75 25.055 35.968 30.632
277 HE2 HIS 75 HE2 HIS 75 23.883 34.084 29.315
Start of MODEL 10
1 H1 LEU 37 H LEU 37 30.403 17.824 13.380
2 HA LEU 37 HA LEU 37 30.692 19.923 12.357
3 HB2 LEU 37 2HB LEU 37 28.317 20.119 11.648
4 HB3 LEU 37 3HB LEU 37 27.858 20.460 13.322
5 HG LEU 37 HG LEU 37 29.164 22.555 13.276
6 HD11 LEU 37 1HD1 LEU 37 29.693 21.924 10.327
7 HD12 LEU 37 2HD1 LEU 37 30.922 21.922 11.617
8 HD13 LEU 37 3HD1 LEU 37 30.110 23.429 11.170
9 HD21 LEU 37 3HD2 LEU 37 27.229 22.270 10.954
10 HD22 LEU 37 1HD2 LEU 37 27.759 23.794 11.703
11 HD23 LEU 37 2HD2 LEU 37 26.816 22.632 12.648
12 H THR 38 H THR 38 31.447 21.719 13.547
13 HA THR 38 HA THR 38 30.930 21.819 16.449
14 HB THR 38 HB THR 38 33.133 20.783 16.150
15 HG1 THR 38 1HG THR 38 34.243 22.289 17.433
16 HG21 THR 38 1HG2 THR 38 33.821 21.814 13.972
17 HG22 THR 38 2HG2 THR 38 35.040 22.023 15.233
18 HG23 THR 38 3HG2 THR 38 33.995 23.382 14.791
19 H GLY 39 H GLY 39 31.068 23.922 17.305
20 HA2 GLY 39 2HA GLY 39 31.598 26.324 15.979
21 HA3 GLY 39 3HA GLY 39 29.920 25.939 15.598
22 H CYS 40 H CYS 40 28.684 25.100 17.718
23 HA CYS 40 HA CYS 40 28.248 27.373 19.280
24 HB2 CYS 40 2HB CYS 40 26.620 25.541 18.831
25 HB3 CYS 40 3HB CYS 40 27.489 24.509 19.955
26 H LYS 41 H LYS 41 29.236 24.273 20.834
27 HA LYS 41 HA LYS 41 30.659 25.509 22.992
28 HB2 LYS 41 2HB LYS 41 29.371 23.424 23.104
29 HB3 LYS 41 3HB LYS 41 30.462 22.649 21.945
30 HG2 LYS 41 2HG LYS 41 32.284 22.690 23.465
31 HG3 LYS 41 3HG LYS 41 31.458 23.802 24.566
32 HD2 LYS 41 2HD LYS 41 30.529 20.956 23.965
33 HD3 LYS 41 3HD LYS 41 31.559 21.384 25.333
34 HE2 LYS 41 2HE LYS 41 28.746 22.462 24.855
35 HE3 LYS 41 3HE LYS 41 29.176 21.158 25.971
36 HZ1 LYS 41 3HZ LYS 41 30.124 23.938 26.160
37 HZ2 LYS 41 1HZ LYS 41 30.556 22.707 27.167
38 HZ3 LYS 41 2HZ LYS 41 28.997 23.217 27.128
39 H GLY 42 H GLY 42 31.512 24.773 19.716
40 HA2 GLY 42 2HA GLY 42 34.316 24.340 19.926
41 HA3 GLY 42 3HA GLY 42 33.434 24.962 18.530
42 H LYS 43 H LYS 43 32.514 27.203 20.639
43 HA LYS 43 HA LYS 43 34.986 28.877 20.499
44 HB2 LYS 43 2HB LYS 43 32.115 29.726 19.946
45 HB3 LYS 43 3HB LYS 43 33.505 30.816 20.077
46 HG2 LYS 43 2HG LYS 43 34.583 29.695 18.141
47 HG3 LYS 43 3HG LYS 43 33.186 28.614 17.995
48 HD2 LYS 43 2HD LYS 43 31.710 30.611 17.632
49 HD3 LYS 43 3HD LYS 43 33.142 31.649 17.721
50 HE2 LYS 43 2HE LYS 43 32.595 31.287 15.406
51 HE3 LYS 43 3HE LYS 43 34.109 30.432 15.756
52 HZ1 LYS 43 3HZ LYS 43 32.867 28.404 15.912
53 HZ2 LYS 43 1HZ LYS 43 32.581 29.116 14.454
54 HZ3 LYS 43 2HZ LYS 43 31.442 29.188 15.647
55 H GLY 44 H GLY 44 31.724 28.726 22.075
56 HA2 GLY 44 2HA GLY 44 32.823 28.996 24.742
57 HA3 GLY 44 3HA GLY 44 32.238 30.530 24.107
58 H GLY 45 H GLY 45 30.350 27.916 22.887
59 HA2 GLY 45 2HA GLY 45 28.067 28.761 24.511
60 HA3 GLY 45 3HA GLY 45 28.065 27.755 23.062
61 H GLU 46 H GLU 46 26.450 26.997 24.969
62 HA GLU 46 HA GLU 46 27.626 24.498 26.049
63 HB2 GLU 46 2HB GLU 46 25.918 26.513 27.559
64 HB3 GLU 46 3HB GLU 46 26.131 24.835 28.072
65 HG2 GLU 46 2HG GLU 46 28.562 25.146 28.227
66 HG3 GLU 46 3HG GLU 46 28.396 26.835 27.725
67 H CYS 47 H CYS 47 26.302 22.789 26.123
68 HA CYS 47 HA CYS 47 23.986 22.798 24.321
69 HB2 CYS 47 2HB CYS 47 25.545 20.606 25.717
70 HB3 CYS 47 3HB CYS 47 24.167 20.330 24.648
71 H ASN 48 H ASN 48 22.613 24.057 25.601
72 HA ASN 48 HA ASN 48 21.693 23.252 28.248
73 HB2 ASN 48 2HB ASN 48 20.875 25.337 26.183
74 HB3 ASN 48 3HB ASN 48 19.902 25.040 27.610
75 HD21 ASN 48 2HD2 ASN 48 23.615 26.795 28.154
76 HD22 ASN 48 1HD2 ASN 48 23.387 25.731 26.776
77 HA PRO 49 HA PRO 49 18.480 20.489 26.841
78 HB2 PRO 49 3HB PRO 49 17.944 20.099 29.054
79 HB3 PRO 49 2HB PRO 49 16.412 20.909 28.595
80 HG2 PRO 49 2HG PRO 49 17.172 23.003 29.450
81 HG3 PRO 49 3HG PRO 49 17.887 21.866 30.645
82 HD2 PRO 49 2HD PRO 49 19.410 23.648 29.269
83 HD3 PRO 49 3HD PRO 49 20.018 22.009 29.644
84 H LEU 50 H LEU 50 16.397 20.398 25.812
85 HA LEU 50 HA LEU 50 15.840 22.518 24.016
86 HB2 LEU 50 2HB LEU 50 14.129 20.169 24.898
87 HB3 LEU 50 3HB LEU 50 13.858 21.115 23.436
88 HG LEU 50 HG LEU 50 16.473 19.614 23.906
89 HD11 LEU 50 1HD1 LEU 50 15.524 17.754 22.628
90 HD12 LEU 50 2HD1 LEU 50 13.941 18.576 22.584
91 HD13 LEU 50 3HD1 LEU 50 14.625 18.037 24.135
92 HD21 LEU 50 3HD2 LEU 50 15.113 20.536 21.346
93 HD22 LEU 50 1HD2 LEU 50 16.672 19.680 21.479
94 HD23 LEU 50 2HD2 LEU 50 16.508 21.311 22.121
95 H ASP 51 H ASP 51 14.406 21.623 27.099
96 HA ASP 51 HA ASP 51 12.145 23.330 27.183
97 HB2 ASP 51 2HB ASP 51 13.939 22.206 29.379
98 HB3 ASP 51 3HB ASP 51 12.423 23.050 29.687
99 H ARG 52 H ARG 52 15.519 24.226 27.370
100 HA ARG 52 HA ARG 52 15.354 26.419 29.180
101 HB2 ARG 52 2HB ARG 52 17.409 25.195 28.501
102 HB3 ARG 52 3HB ARG 52 17.362 26.056 26.952
103 HG2 ARG 52 2HG ARG 52 18.829 27.202 28.507
104 HG3 ARG 52 3HG ARG 52 17.428 28.235 28.230
105 HD2 ARG 52 2HD ARG 52 17.383 26.307 30.578
106 HD3 ARG 52 3HD ARG 52 18.405 27.714 30.677
107 HE ARG 52 HE ARG 52 15.560 27.651 30.952
108 HH11 ARG 52 1HH1 ARG 52 18.189 29.837 29.941
109 HH12 ARG 52 2HH1 ARG 52 17.237 31.262 30.314
110 HH21 ARG 52 2HH2 ARG 52 15.139 31.075 31.135
111 HH22 ARG 52 1HH2 ARG 52 14.442 29.495 31.448
112 H GLN 53 H GLN 53 14.455 28.337 28.913
113 HA GLN 53 HA GLN 53 13.608 29.374 26.320
114 HB2 GLN 53 2HB GLN 53 13.416 30.538 29.124
115 HB3 GLN 53 3HB GLN 53 12.774 31.309 27.675
116 HG2 GLN 53 2HG GLN 53 11.910 28.568 28.710
117 HG3 GLN 53 3HG GLN 53 11.054 30.081 28.980
118 HE21 GLN 53 2HE2 GLN 53 9.721 30.323 25.656
119 HE22 GLN 53 1HE2 GLN 53 10.140 31.233 27.094
120 H CYS 54 H CYS 54 15.606 29.404 25.326
121 HA CYS 54 HA CYS 54 16.701 32.064 25.274
122 HB2 CYS 54 2HB CYS 54 19.063 31.376 25.213
123 HB3 CYS 54 3HB CYS 54 18.338 31.093 26.783
124 H LYS 55 H LYS 55 18.507 31.873 23.290
125 HA LYS 55 HA LYS 55 17.007 31.296 20.944
126 HB2 LYS 55 2HB LYS 55 18.849 32.952 21.184
127 HB3 LYS 55 3HB LYS 55 20.003 31.617 21.325
128 HG2 LYS 55 2HG LYS 55 19.564 30.900 19.054
129 HG3 LYS 55 3HG LYS 55 18.236 32.053 18.876
130 HD2 LYS 55 2HD LYS 55 21.131 32.845 19.425
131 HD3 LYS 55 3HD LYS 55 20.477 32.669 17.796
132 HE2 LYS 55 2HE LYS 55 19.358 34.584 19.888
133 HE3 LYS 55 3HE LYS 55 20.540 35.033 18.649
134 HZ1 LYS 55 3HZ LYS 55 17.849 33.989 18.105
135 HZ2 LYS 55 1HZ LYS 55 18.967 34.418 16.974
136 HZ3 LYS 55 2HZ LYS 55 18.329 35.565 17.971
137 H GLU 56 H GLU 56 17.403 29.716 19.323
138 HA GLU 56 HA GLU 56 18.856 27.241 20.008
139 HB2 GLU 56 2HB GLU 56 16.645 26.882 20.885
140 HB3 GLU 56 3HB GLU 56 15.883 27.413 19.376
141 HG2 GLU 56 2HG GLU 56 16.823 25.480 18.192
142 HG3 GLU 56 3HG GLU 56 17.688 24.978 19.645
143 H LEU 57 H LEU 57 20.208 27.059 18.401
144 HA LEU 57 HA LEU 57 19.793 27.970 15.677
145 HB2 LEU 57 2HB LEU 57 21.911 26.351 17.151
146 HB3 LEU 57 3HB LEU 57 21.985 26.580 15.419
147 HG LEU 57 HG LEU 57 23.442 28.090 16.721
148 HD11 LEU 57 1HD1 LEU 57 22.858 28.678 14.438
149 HD12 LEU 57 2HD1 LEU 57 22.956 30.129 15.440
150 HD13 LEU 57 3HD1 LEU 57 21.364 29.474 14.986
151 HD21 LEU 57 3HD2 LEU 57 21.927 28.609 18.635
152 HD22 LEU 57 1HD2 LEU 57 20.966 29.639 17.541
153 HD23 LEU 57 2HD2 LEU 57 22.661 30.031 17.871
154 H GLN 58 H GLN 58 20.287 26.264 13.888
155 HA GLN 58 HA GLN 58 18.681 23.799 14.373
156 HB2 GLN 58 2HB GLN 58 17.800 23.940 12.152
157 HB3 GLN 58 3HB GLN 58 17.443 25.408 13.066
158 HG2 GLN 58 2HG GLN 58 19.349 26.543 11.871
159 HG3 GLN 58 3HG GLN 58 19.501 25.100 10.847
160 HE21 GLN 58 2HE2 GLN 58 17.003 27.910 9.649
161 HE22 GLN 58 1HE2 GLN 58 18.423 28.132 10.650
162 H ALA 59 H ALA 59 21.350 25.156 12.395
163 HA ALA 59 HA ALA 59 22.334 22.462 11.730
164 HB1 ALA 59 1HB ALA 59 22.506 24.279 10.090
165 HB2 ALA 59 2HB ALA 59 23.490 25.233 11.223
166 HB3 ALA 59 3HB ALA 59 24.117 23.706 10.564
167 H GLU 60 H GLU 60 23.159 25.151 13.950
168 HA GLU 60 HA GLU 60 25.592 23.875 14.890
169 HB2 GLU 60 2HB GLU 60 24.728 26.477 14.851
170 HB3 GLU 60 3HB GLU 60 24.312 26.020 16.505
171 HG2 GLU 60 2HG GLU 60 26.459 26.852 16.748
172 HG3 GLU 60 3HG GLU 60 26.761 25.113 16.648
173 H SER 61 H SER 61 22.199 23.784 15.854
174 HA SER 61 HA SER 61 22.495 22.840 18.532
175 HB2 SER 61 2HB SER 61 20.437 23.799 17.701
176 HB3 SER 61 3HB SER 61 20.303 22.552 16.439
177 HG SER 61 HG SER 61 19.006 22.080 18.222
178 H ALA 62 H ALA 62 22.656 21.225 15.352
179 HA ALA 62 HA ALA 62 22.496 18.526 16.338
180 HB1 ALA 62 1HB ALA 62 23.711 19.646 13.787
181 HB2 ALA 62 2HB ALA 62 23.302 17.945 14.091
182 HB3 ALA 62 3HB ALA 62 22.014 19.161 14.003
183 H SER 63 H SER 63 25.051 20.890 16.539
184 HA SER 63 HA SER 63 27.308 19.099 16.620
185 HB2 SER 63 2HB SER 63 26.972 21.811 17.962
186 HB3 SER 63 3HB SER 63 28.486 20.954 17.667
187 HG SER 63 HG SER 63 26.706 21.997 15.728
188 H CYS 64 H CYS 64 24.861 20.132 18.998
189 HA CYS 64 HA CYS 64 26.131 18.934 21.315
190 HB2 CYS 64 2HB CYS 64 23.352 20.008 20.714
191 HB3 CYS 64 3HB CYS 64 23.830 19.349 22.266
192 H GLY 65 H GLY 65 24.468 17.632 18.647
193 HA2 GLY 65 2HA GLY 65 24.136 15.335 18.223
194 HA3 GLY 65 3HA GLY 65 24.164 14.997 19.947
195 H LYS 66 H LYS 66 22.279 14.508 20.787
196 HA LYS 66 HA LYS 66 19.765 15.786 19.859
197 HB2 LYS 66 2HB LYS 66 18.607 13.678 20.060
198 HB3 LYS 66 3HB LYS 66 19.894 13.571 18.865
199 HG2 LYS 66 2HG LYS 66 21.319 12.359 20.540
200 HG3 LYS 66 3HG LYS 66 19.991 12.466 21.715
201 HD2 LYS 66 2HD LYS 66 18.543 11.130 20.221
202 HD3 LYS 66 3HD LYS 66 19.823 11.100 18.998
203 HE2 LYS 66 2HE LYS 66 19.906 9.001 20.085
204 HE3 LYS 66 3HE LYS 66 21.312 9.919 20.651
205 HZ1 LYS 66 3HZ LYS 66 18.779 9.564 22.107
206 HZ2 LYS 66 1HZ LYS 66 20.088 10.416 22.657
207 HZ3 LYS 66 2HZ LYS 66 20.188 8.786 22.430
208 H GLY 67 H GLY 67 18.060 15.798 21.409
209 HA2 GLY 67 2HA GLY 67 17.078 15.930 23.467
210 HA3 GLY 67 3HA GLY 67 18.485 15.173 24.209
211 H GLN 68 H GLN 68 20.113 17.475 22.762
212 HA GLN 68 HA GLN 68 19.463 19.754 24.562
213 HB2 GLN 68 2HB GLN 68 22.267 18.833 23.841
214 HB3 GLN 68 3HB GLN 68 21.826 20.130 24.934
215 HG2 GLN 68 2HG GLN 68 21.384 17.153 25.420
216 HG3 GLN 68 3HG GLN 68 22.673 18.133 26.096
217 HE21 GLN 68 2HE2 GLN 68 20.563 19.775 28.521
218 HE22 GLN 68 1HE2 GLN 68 21.935 20.088 27.472
219 H LYS 69 H LYS 69 20.458 21.792 23.736
220 HA LYS 69 HA LYS 69 21.025 21.940 20.847
221 HB2 LYS 69 2HB LYS 69 19.292 23.661 20.519
222 HB3 LYS 69 3HB LYS 69 18.671 22.059 20.851
223 HG2 LYS 69 2HG LYS 69 17.234 23.437 21.982
224 HG3 LYS 69 3HG LYS 69 18.251 22.800 23.267
225 HD2 LYS 69 2HD LYS 69 19.452 24.952 23.390
226 HD3 LYS 69 3HD LYS 69 18.578 25.535 21.948
227 HE2 LYS 69 2HE LYS 69 16.419 25.176 23.198
228 HE3 LYS 69 3HE LYS 69 17.368 24.820 24.646
229 HZ1 LYS 69 3HZ LYS 69 18.300 27.002 24.516
230 HZ2 LYS 69 1HZ LYS 69 16.653 27.103 24.539
231 HZ3 LYS 69 2HZ LYS 69 17.480 27.339 23.132
232 H CYS 70 H CYS 70 21.607 24.209 20.195
233 HA CYS 70 HA CYS 70 23.638 25.206 22.011
234 HB2 CYS 70 2HB CYS 70 23.862 25.055 19.512
235 HB3 CYS 70 3HB CYS 70 22.641 26.323 19.363
236 H CYS 71 H CYS 71 23.696 27.223 23.035
237 HA CYS 71 HA CYS 71 21.298 28.965 23.076
238 HB2 CYS 71 2HB CYS 71 21.018 27.196 24.787
239 HB3 CYS 71 3HB CYS 71 22.593 27.607 25.453
240 H VAL 72 H VAL 72 21.741 31.040 23.858
241 HA VAL 72 HA VAL 72 24.353 32.141 23.387
242 HB VAL 72 HB VAL 72 23.285 34.261 24.189
243 HG11 VAL 72 1HG1 VAL 72 21.676 34.443 22.323
244 HG12 VAL 72 2HG1 VAL 72 23.196 33.680 21.836
245 HG13 VAL 72 3HG1 VAL 72 21.753 32.687 22.094
246 HG21 VAL 72 3HG2 VAL 72 20.731 32.607 24.465
247 HG22 VAL 72 1HG2 VAL 72 21.698 33.161 25.853
248 HG23 VAL 72 2HG2 VAL 72 20.931 34.330 24.785
249 H TRP 73 H TRP 73 25.183 33.805 24.974
250 HA TRP 73 HA TRP 73 25.509 32.668 27.710
251 HB2 TRP 73 2HB TRP 73 27.856 33.658 27.467
252 HB3 TRP 73 3HB TRP 73 27.480 32.168 26.622
253 HD1 TRP 73 HD1 TRP 73 27.592 35.939 25.760
254 HE1 TRP 73 HE1 TRP 73 28.409 36.248 23.375
255 HE3 TRP 73 HE3 TRP 73 27.895 31.044 24.432
256 HZ2 TRP 73 HZ2 TRP 73 29.266 34.549 21.171
257 HZ3 TRP 73 HZ3 TRP 73 28.714 30.396 22.160
258 HH2 TRP 73 HH2 TRP 73 29.418 32.141 20.545
259 H LEU 74 H LEU 74 24.932 35.558 25.769
260 HA LEU 74 HA LEU 74 24.658 37.148 28.277
261 HB2 LEU 74 2HB LEU 74 26.300 37.727 25.873
262 HB3 LEU 74 3HB LEU 74 25.219 39.018 26.289
263 HG LEU 74 HG LEU 74 27.373 39.404 27.232
264 HD11 LEU 74 1HD1 LEU 74 25.353 40.251 28.406
265 HD12 LEU 74 2HD1 LEU 74 26.736 39.999 29.485
266 HD13 LEU 74 3HD1 LEU 74 25.399 38.837 29.479
267 HD21 LEU 74 3HD2 LEU 74 28.387 38.131 29.001
268 HD22 LEU 74 1HD2 LEU 74 28.126 37.059 27.619
269 HD23 LEU 74 2HD2 LEU 74 27.046 36.985 29.033
270 H HIS 75 H HIS 75 23.797 37.545 24.780
271 HA HIS 75 HA HIS 75 21.350 38.950 25.571
272 HB2 HIS 75 2HB HIS 75 22.772 38.445 22.942
273 HB3 HIS 75 3HB HIS 75 21.137 39.088 22.999
274 HD1 HIS 75 HD1 HIS 75 22.052 41.316 21.850
275 HD2 HIS 75 HD2 HIS 75 23.421 40.469 25.752
276 HE1 HIS 75 HE1 HIS 75 23.082 43.484 22.753
277 HE2 HIS 75 HE2 HIS 75 23.908 42.967 25.122
Start of MODEL 11
1 H1 LEU 37 H LEU 37 22.463 35.687 17.090
2 HA LEU 37 HA LEU 37 23.315 36.052 14.948
3 HB2 LEU 37 2HB LEU 37 25.124 37.371 14.405
4 HB3 LEU 37 3HB LEU 37 24.012 38.367 15.313
5 HG LEU 37 HG LEU 37 26.637 37.204 16.311
6 HD11 LEU 37 1HD1 LEU 37 26.887 39.027 14.663
7 HD12 LEU 37 2HD1 LEU 37 27.431 39.534 16.271
8 HD13 LEU 37 3HD1 LEU 37 25.858 40.081 15.658
9 HD21 LEU 37 3HD2 LEU 37 24.677 39.065 17.736
10 HD22 LEU 37 1HD2 LEU 37 26.349 38.763 18.265
11 HD23 LEU 37 2HD2 LEU 37 25.183 37.446 18.279
12 H THR 38 H THR 38 25.294 35.531 17.896
13 HA THR 38 HA THR 38 26.910 33.489 16.595
14 HB THR 38 HB THR 38 28.029 33.286 18.712
15 HG1 THR 38 1HG THR 38 27.302 34.458 20.511
16 HG21 THR 38 1HG2 THR 38 28.882 35.515 19.070
17 HG22 THR 38 2HG2 THR 38 27.468 36.247 18.306
18 HG23 THR 38 3HG2 THR 38 28.607 35.286 17.330
19 H GLY 39 H GLY 39 27.264 31.405 17.888
20 HA2 GLY 39 2HA GLY 39 24.730 30.154 18.871
21 HA3 GLY 39 3HA GLY 39 25.724 29.381 17.626
22 H CYS 40 H CYS 40 27.173 27.943 18.364
23 HA CYS 40 HA CYS 40 28.373 28.219 21.072
24 HB2 CYS 40 2HB CYS 40 27.106 25.752 19.845
25 HB3 CYS 40 3HB CYS 40 28.115 25.742 21.288
26 H LYS 41 H LYS 41 30.237 26.761 21.337
27 HA LYS 41 HA LYS 41 31.937 26.624 18.880
28 HB2 LYS 41 2HB LYS 41 32.671 27.491 21.696
29 HB3 LYS 41 3HB LYS 41 33.787 27.388 20.343
30 HG2 LYS 41 2HG LYS 41 31.421 29.303 20.507
31 HG3 LYS 41 3HG LYS 41 33.092 29.686 20.902
32 HD2 LYS 41 2HD LYS 41 33.779 29.169 18.553
33 HD3 LYS 41 3HD LYS 41 32.093 28.810 18.155
34 HE2 LYS 41 2HE LYS 41 32.577 31.042 17.409
35 HE3 LYS 41 3HE LYS 41 31.465 31.141 18.780
36 HZ1 LYS 41 3HZ LYS 41 33.269 32.744 18.875
37 HZ2 LYS 41 1HZ LYS 41 34.379 31.532 18.949
38 HZ3 LYS 41 2HZ LYS 41 33.298 31.730 20.170
39 H GLY 42 H GLY 42 30.875 24.945 21.781
40 HA2 GLY 42 2HA GLY 42 31.121 22.748 22.314
41 HA3 GLY 42 3HA GLY 42 32.296 22.522 21.028
42 H LYS 43 H LYS 43 33.920 24.946 22.258
43 HA LYS 43 HA LYS 43 35.725 23.344 23.784
44 HB2 LYS 43 2HB LYS 43 35.519 26.319 23.122
45 HB3 LYS 43 3HB LYS 43 36.751 25.672 24.225
46 HG2 LYS 43 2HG LYS 43 37.512 24.111 22.458
47 HG3 LYS 43 3HG LYS 43 36.379 24.874 21.310
48 HD2 LYS 43 2HD LYS 43 37.512 27.057 21.603
49 HD3 LYS 43 3HD LYS 43 38.558 26.376 22.850
50 HE2 LYS 43 2HE LYS 43 39.841 26.496 20.837
51 HE3 LYS 43 3HE LYS 43 39.501 24.786 21.152
52 HZ1 LYS 43 3HZ LYS 43 38.026 26.494 19.256
53 HZ2 LYS 43 1HZ LYS 43 37.761 24.894 19.510
54 HZ3 LYS 43 2HZ LYS 43 39.180 25.391 18.850
55 H GLY 44 H GLY 44 33.457 26.003 24.705
56 HA2 GLY 44 2HA GLY 44 33.542 25.127 27.539
57 HA3 GLY 44 3HA GLY 44 33.880 26.799 27.085
58 H GLY 45 H GLY 45 31.510 25.477 25.003
59 HA2 GLY 45 2HA GLY 45 29.333 26.999 26.148
60 HA3 GLY 45 3HA GLY 45 29.275 25.896 24.762
61 H GLU 46 H GLU 46 27.154 25.802 26.285
62 HA GLU 46 HA GLU 46 27.389 23.324 27.934
63 HB2 GLU 46 2HB GLU 46 25.975 25.920 28.651
64 HB3 GLU 46 3HB GLU 46 25.633 24.367 29.428
65 HG2 GLU 46 2HG GLU 46 28.030 24.168 30.076
66 HG3 GLU 46 3HG GLU 46 28.323 25.794 29.431
67 H CYS 47 H CYS 47 25.876 21.904 27.773
68 HA CYS 47 HA CYS 47 23.627 22.166 25.903
69 HB2 CYS 47 2HB CYS 47 24.950 20.039 26.174
70 HB3 CYS 47 3HB CYS 47 24.397 19.953 27.850
71 H ASN 48 H ASN 48 21.500 22.271 26.543
72 HA ASN 48 HA ASN 48 20.733 22.655 29.370
73 HB2 ASN 48 2HB ASN 48 20.667 24.695 27.099
74 HB3 ASN 48 3HB ASN 48 19.463 24.754 28.369
75 HD21 ASN 48 2HD2 ASN 48 23.284 25.996 29.166
76 HD22 ASN 48 1HD2 ASN 48 22.929 25.197 27.645
77 HA PRO 49 HA PRO 49 16.952 20.761 27.800
78 HB2 PRO 49 3HB PRO 49 16.146 20.784 29.985
79 HB3 PRO 49 2HB PRO 49 14.961 21.922 29.271
80 HG2 PRO 49 2HG PRO 49 16.207 23.813 30.025
81 HG3 PRO 49 3HG PRO 49 16.431 22.686 31.404
82 HD2 PRO 49 2HD PRO 49 18.521 23.780 30.105
83 HD3 PRO 49 3HD PRO 49 18.585 22.094 30.696
84 H LEU 50 H LEU 50 14.947 21.261 26.615
85 HA LEU 50 HA LEU 50 15.098 23.422 24.740
86 HB2 LEU 50 2HB LEU 50 12.819 21.602 25.567
87 HB3 LEU 50 3HB LEU 50 12.807 22.624 24.137
88 HG LEU 50 HG LEU 50 14.997 20.542 24.525
89 HD11 LEU 50 1HD1 LEU 50 13.588 18.976 23.225
90 HD12 LEU 50 2HD1 LEU 50 12.243 20.143 23.294
91 HD13 LEU 50 3HD1 LEU 50 12.853 19.398 24.790
92 HD21 LEU 50 3HD2 LEU 50 15.065 20.591 22.068
93 HD22 LEU 50 1HD2 LEU 50 15.391 22.182 22.772
94 HD23 LEU 50 2HD2 LEU 50 13.800 21.843 22.050
95 H ASP 51 H ASP 51 13.443 22.927 27.800
96 HA ASP 51 HA ASP 51 11.732 25.194 27.833
97 HB2 ASP 51 2HB ASP 51 13.009 23.720 30.168
98 HB3 ASP 51 3HB ASP 51 11.568 24.739 30.238
99 H ARG 52 H ARG 52 15.179 25.156 28.075
100 HA ARG 52 HA ARG 52 15.610 27.385 29.809
101 HB2 ARG 52 2HB ARG 52 17.317 25.667 29.036
102 HB3 ARG 52 3HB ARG 52 17.281 26.421 27.447
103 HG2 ARG 52 2HG ARG 52 19.176 27.286 28.523
104 HG3 ARG 52 3HG ARG 52 18.002 28.603 28.659
105 HD2 ARG 52 2HD ARG 52 17.569 28.071 30.984
106 HD3 ARG 52 3HD ARG 52 18.329 26.486 30.826
107 HE ARG 52 HE ARG 52 20.412 27.361 30.966
108 HH11 ARG 52 1HH1 ARG 52 18.105 30.071 30.922
109 HH12 ARG 52 2HH1 ARG 52 19.325 31.257 31.310
110 HH21 ARG 52 2HH2 ARG 52 21.491 30.609 31.695
111 HH22 ARG 52 1HH2 ARG 52 21.932 28.920 31.603
112 H GLN 53 H GLN 53 15.430 29.517 29.435
113 HA GLN 53 HA GLN 53 14.471 30.629 26.916
114 HB2 GLN 53 2HB GLN 53 15.309 31.809 29.589
115 HB3 GLN 53 3HB GLN 53 14.914 32.830 28.210
116 HG2 GLN 53 2HG GLN 53 12.981 30.742 29.290
117 HG3 GLN 53 3HG GLN 53 13.028 32.414 29.847
118 HE21 GLN 53 2HE2 GLN 53 11.156 31.580 26.333
119 HE22 GLN 53 1HE2 GLN 53 11.807 30.305 27.342
120 H CYS 54 H CYS 54 16.120 29.805 25.562
121 HA CYS 54 HA CYS 54 18.281 31.675 25.100
122 HB2 CYS 54 2HB CYS 54 19.083 29.988 26.868
123 HB3 CYS 54 3HB CYS 54 19.050 28.773 25.597
124 H LYS 55 H LYS 55 19.621 30.786 23.209
125 HA LYS 55 HA LYS 55 17.926 30.333 20.944
126 HB2 LYS 55 2HB LYS 55 20.608 31.202 21.497
127 HB3 LYS 55 3HB LYS 55 20.751 29.876 20.369
128 HG2 LYS 55 2HG LYS 55 18.993 32.342 19.981
129 HG3 LYS 55 3HG LYS 55 20.613 32.107 19.317
130 HD2 LYS 55 2HD LYS 55 19.764 30.066 18.101
131 HD3 LYS 55 3HD LYS 55 18.122 30.504 18.600
132 HE2 LYS 55 2HE LYS 55 20.005 32.287 16.995
133 HE3 LYS 55 3HE LYS 55 18.758 31.248 16.286
134 HZ1 LYS 55 3HZ LYS 55 18.260 33.467 18.148
135 HZ2 LYS 55 1HZ LYS 55 17.110 32.489 17.490
136 HZ3 LYS 55 2HZ LYS 55 17.995 33.477 16.518
137 H GLU 56 H GLU 56 18.782 28.667 19.225
138 HA GLU 56 HA GLU 56 19.367 25.995 20.326
139 HB2 GLU 56 2HB GLU 56 16.900 26.241 20.213
140 HB3 GLU 56 3HB GLU 56 17.008 26.657 18.504
141 HG2 GLU 56 2HG GLU 56 17.735 24.434 17.926
142 HG3 GLU 56 3HG GLU 56 17.993 24.005 19.623
143 H LEU 57 H LEU 57 20.114 24.526 18.656
144 HA LEU 57 HA LEU 57 21.070 25.700 16.107
145 HB2 LEU 57 2HB LEU 57 22.707 24.267 18.235
146 HB3 LEU 57 3HB LEU 57 23.272 24.399 16.584
147 HG LEU 57 HG LEU 57 22.616 26.792 18.340
148 HD11 LEU 57 1HD1 LEU 57 24.567 25.579 19.186
149 HD12 LEU 57 2HD1 LEU 57 25.041 27.124 18.491
150 HD13 LEU 57 3HD1 LEU 57 25.322 25.634 17.573
151 HD21 LEU 57 3HD2 LEU 57 23.995 26.666 15.629
152 HD22 LEU 57 1HD2 LEU 57 23.846 28.108 16.649
153 HD23 LEU 57 2HD2 LEU 57 22.400 27.381 15.961
154 H GLN 58 H GLN 58 22.167 23.754 14.859
155 HA GLN 58 HA GLN 58 20.327 21.414 14.973
156 HB2 GLN 58 2HB GLN 58 20.326 21.312 12.581
157 HB3 GLN 58 3HB GLN 58 19.767 22.885 13.147
158 HG2 GLN 58 2HG GLN 58 21.949 23.898 12.569
159 HG3 GLN 58 3HG GLN 58 22.537 22.328 12.004
160 HE21 GLN 58 2HE2 GLN 58 19.959 24.535 9.667
161 HE22 GLN 58 1HE2 GLN 58 20.249 24.986 11.332
162 H ALA 59 H ALA 59 23.633 22.517 14.242
163 HA ALA 59 HA ALA 59 24.683 19.806 14.024
164 HB1 ALA 59 1HB ALA 59 26.862 20.930 13.925
165 HB2 ALA 59 2HB ALA 59 25.710 21.694 12.816
166 HB3 ALA 59 3HB ALA 59 26.115 22.480 14.359
167 H GLU 60 H GLU 60 24.639 22.402 16.549
168 HA GLU 60 HA GLU 60 26.209 20.718 18.353
169 HB2 GLU 60 2HB GLU 60 26.311 23.336 17.946
170 HB3 GLU 60 3HB GLU 60 24.977 23.357 19.095
171 HG2 GLU 60 2HG GLU 60 26.894 23.661 20.422
172 HG3 GLU 60 3HG GLU 60 26.531 21.968 20.662
173 H SER 61 H SER 61 22.800 21.233 17.788
174 HA SER 61 HA SER 61 21.921 20.556 20.460
175 HB2 SER 61 2HB SER 61 19.728 20.249 19.418
176 HB3 SER 61 3HB SER 61 20.473 21.769 18.896
177 HG SER 61 HG SER 61 19.604 20.657 17.121
178 H ALA 62 H ALA 62 23.064 18.732 17.652
179 HA ALA 62 HA ALA 62 22.145 16.133 18.564
180 HB1 ALA 62 1HB ALA 62 22.616 16.620 16.184
181 HB2 ALA 62 2HB ALA 62 24.320 16.918 16.576
182 HB3 ALA 62 3HB ALA 62 23.625 15.302 16.795
183 H SER 63 H SER 63 24.901 18.248 19.266
184 HA SER 63 HA SER 63 26.609 16.236 20.422
185 HB2 SER 63 2HB SER 63 26.561 19.232 20.949
186 HB3 SER 63 3HB SER 63 27.878 18.111 21.294
187 HG SER 63 HG SER 63 28.046 19.353 19.301
188 H CYS 64 H CYS 64 23.902 18.195 21.632
189 HA CYS 64 HA CYS 64 24.045 17.312 24.405
190 HB2 CYS 64 2HB CYS 64 21.853 18.378 22.598
191 HB3 CYS 64 3HB CYS 64 21.514 17.741 24.189
192 H GLY 65 H GLY 65 22.031 16.390 21.568
193 HA2 GLY 65 2HA GLY 65 22.029 13.872 21.065
194 HA3 GLY 65 3HA GLY 65 21.504 13.704 22.731
195 H LYS 66 H LYS 66 19.521 14.099 23.235
196 HA LYS 66 HA LYS 66 17.498 15.268 21.421
197 HB2 LYS 66 2HB LYS 66 16.050 13.322 21.866
198 HB3 LYS 66 3HB LYS 66 17.473 12.934 20.909
199 HG2 LYS 66 2HG LYS 66 17.541 12.441 23.893
200 HG3 LYS 66 3HG LYS 66 16.624 11.352 22.854
201 HD2 LYS 66 2HD LYS 66 18.614 10.822 21.526
202 HD3 LYS 66 3HD LYS 66 19.590 11.954 22.477
203 HE2 LYS 66 2HE LYS 66 19.019 10.655 24.538
204 HE3 LYS 66 3HE LYS 66 18.224 9.448 23.510
205 HZ1 LYS 66 3HZ LYS 66 21.051 10.255 23.346
206 HZ2 LYS 66 1HZ LYS 66 20.334 9.109 22.404
207 HZ3 LYS 66 2HZ LYS 66 20.493 8.868 24.031
208 H GLY 67 H GLY 67 15.474 15.768 22.450
209 HA2 GLY 67 2HA GLY 67 14.167 16.698 24.071
210 HA3 GLY 67 3HA GLY 67 15.042 15.758 25.280
211 H GLN 68 H GLN 68 17.119 17.733 23.378
212 HA GLN 68 HA GLN 68 17.338 19.883 25.417
213 HB2 GLN 68 2HB GLN 68 19.403 17.780 24.653
214 HB3 GLN 68 3HB GLN 68 19.813 19.278 25.496
215 HG2 GLN 68 2HG GLN 68 18.318 18.639 27.369
216 HG3 GLN 68 3HG GLN 68 18.007 17.087 26.577
217 HE21 GLN 68 2HE2 GLN 68 21.253 17.430 28.903
218 HE22 GLN 68 1HE2 GLN 68 19.867 18.501 28.942
219 H LYS 69 H LYS 69 19.221 21.345 24.782
220 HA LYS 69 HA LYS 69 19.922 21.555 21.961
221 HB2 LYS 69 2HB LYS 69 19.038 23.883 21.781
222 HB3 LYS 69 3HB LYS 69 17.771 22.663 21.893
223 HG2 LYS 69 2HG LYS 69 17.416 23.199 24.278
224 HG3 LYS 69 3HG LYS 69 18.719 24.409 24.204
225 HD2 LYS 69 2HD LYS 69 17.388 25.582 22.376
226 HD3 LYS 69 3HD LYS 69 16.085 24.435 22.672
227 HE2 LYS 69 2HE LYS 69 15.532 26.398 23.903
228 HE3 LYS 69 3HE LYS 69 16.078 25.215 25.098
229 HZ1 LYS 69 3HZ LYS 69 18.197 26.296 25.113
230 HZ2 LYS 69 1HZ LYS 69 17.001 27.394 25.433
231 HZ3 LYS 69 2HZ LYS 69 17.724 27.360 23.945
232 H CYS 70 H CYS 70 21.563 23.262 21.609
233 HA CYS 70 HA CYS 70 23.281 23.730 23.938
234 HB2 CYS 70 2HB CYS 70 24.059 23.257 21.551
235 HB3 CYS 70 3HB CYS 70 23.603 24.920 21.171
236 H CYS 71 H CYS 71 24.045 26.028 24.362
237 HA CYS 71 HA CYS 71 22.045 28.147 23.854
238 HB2 CYS 71 2HB CYS 71 21.393 27.179 25.988
239 HB3 CYS 71 3HB CYS 71 23.057 27.242 26.570
240 H VAL 72 H VAL 72 22.934 30.140 23.631
241 HA VAL 72 HA VAL 72 25.724 30.423 23.094
242 HB VAL 72 HB VAL 72 25.225 32.748 22.666
243 HG11 VAL 72 1HG1 VAL 72 24.497 31.136 20.946
244 HG12 VAL 72 2HG1 VAL 72 22.891 31.060 21.680
245 HG13 VAL 72 3HG1 VAL 72 23.480 32.578 20.971
246 HG21 VAL 72 3HG2 VAL 72 23.797 33.347 24.550
247 HG22 VAL 72 1HG2 VAL 72 22.961 33.715 23.039
248 HG23 VAL 72 2HG2 VAL 72 22.508 32.275 23.962
249 H TRP 73 H TRP 73 27.202 32.013 24.107
250 HA TRP 73 HA TRP 73 27.240 31.747 27.007
251 HB2 TRP 73 2HB TRP 73 29.505 32.726 26.679
252 HB3 TRP 73 3HB TRP 73 29.221 31.259 25.762
253 HD1 TRP 73 HD1 TRP 73 29.380 31.373 23.155
254 HE1 TRP 73 HE1 TRP 73 30.074 33.155 21.465
255 HE3 TRP 73 HE3 TRP 73 29.425 35.397 26.258
256 HZ2 TRP 73 HZ2 TRP 73 30.632 36.010 21.470
257 HZ3 TRP 73 HZ3 TRP 73 30.066 37.660 25.412
258 HH2 TRP 73 HH2 TRP 73 30.689 37.960 23.027
259 H LEU 74 H LEU 74 26.475 34.216 24.601
260 HA LEU 74 HA LEU 74 26.880 36.466 26.357
261 HB2 LEU 74 2HB LEU 74 25.938 37.779 24.492
262 HB3 LEU 74 3HB LEU 74 27.272 36.744 24.059
263 HG LEU 74 HG LEU 74 25.560 35.079 23.113
264 HD11 LEU 74 1HD1 LEU 74 23.748 37.530 23.293
265 HD12 LEU 74 2HD1 LEU 74 23.476 35.980 24.119
266 HD13 LEU 74 3HD1 LEU 74 23.411 36.056 22.366
267 HD21 LEU 74 3HD2 LEU 74 26.989 36.524 21.722
268 HD22 LEU 74 1HD2 LEU 74 25.796 37.838 21.850
269 HD23 LEU 74 2HD2 LEU 74 25.382 36.336 21.006
270 H HIS 75 H HIS 75 25.091 38.103 26.668
271 HA HIS 75 HA HIS 75 22.919 36.824 28.119
272 HB2 HIS 75 2HB HIS 75 22.514 38.882 29.102
273 HB3 HIS 75 3HB HIS 75 24.261 38.797 28.955
274 HD1 HIS 75 HD1 HIS 75 21.700 41.235 28.666
275 HD2 HIS 75 HD2 HIS 75 24.995 40.116 26.281
276 HE1 HIS 75 HE1 HIS 75 22.245 43.255 27.165
277 HE2 HIS 75 HE2 HIS 75 24.254 42.555 25.716
Start of MODEL 12
1 H1 LEU 37 H LEU 37 26.559 30.310 9.701
2 HA LEU 37 HA LEU 37 28.870 29.783 9.771
3 HB2 LEU 37 2HB LEU 37 29.661 32.111 9.666
4 HB3 LEU 37 3HB LEU 37 29.099 32.392 11.304
5 HG LEU 37 HG LEU 37 30.707 30.585 12.096
6 HD11 LEU 37 1HD1 LEU 37 31.743 30.767 9.220
7 HD12 LEU 37 2HD1 LEU 37 31.000 29.330 9.937
8 HD13 LEU 37 3HD1 LEU 37 32.554 29.907 10.535
9 HD21 LEU 37 3HD2 LEU 37 32.706 32.005 11.906
10 HD22 LEU 37 1HD2 LEU 37 31.275 32.981 12.244
11 HD23 LEU 37 2HD2 LEU 37 31.940 32.927 10.601
12 H THR 38 H THR 38 28.205 31.492 12.804
13 HA THR 38 HA THR 38 27.138 29.093 14.128
14 HB THR 38 HB THR 38 28.805 29.501 16.028
15 HG1 THR 38 1HG THR 38 29.620 31.467 15.433
16 HG21 THR 38 1HG2 THR 38 30.086 28.548 13.445
17 HG22 THR 38 2HG2 THR 38 29.013 27.570 14.476
18 HG23 THR 38 3HG2 THR 38 30.563 28.154 15.107
19 H GLY 39 H GLY 39 26.186 29.568 16.175
20 HA2 GLY 39 2HA GLY 39 25.459 32.434 16.651
21 HA3 GLY 39 3HA GLY 39 24.349 31.082 16.876
22 H CYS 40 H CYS 40 26.308 29.265 18.082
23 HA CYS 40 HA CYS 40 26.626 30.409 20.781
24 HB2 CYS 40 2HB CYS 40 26.643 27.601 19.621
25 HB3 CYS 40 3HB CYS 40 27.170 27.955 21.262
26 H LYS 41 H LYS 41 28.640 29.539 21.879
27 HA LYS 41 HA LYS 41 31.100 29.672 20.217
28 HB2 LYS 41 2HB LYS 41 30.149 31.619 22.277
29 HB3 LYS 41 3HB LYS 41 31.811 31.071 22.492
30 HG2 LYS 41 2HG LYS 41 32.348 31.696 20.173
31 HG3 LYS 41 3HG LYS 41 30.690 32.297 19.955
32 HD2 LYS 41 2HD LYS 41 31.037 33.969 21.742
33 HD3 LYS 41 3HD LYS 41 32.633 33.313 22.112
34 HE2 LYS 41 2HE LYS 41 31.882 34.503 19.421
35 HE3 LYS 41 3HE LYS 41 32.609 35.434 20.743
36 HZ1 LYS 41 3HZ LYS 41 34.497 33.953 20.667
37 HZ2 LYS 41 1HZ LYS 41 34.261 34.688 19.211
38 HZ3 LYS 41 2HZ LYS 41 33.831 33.114 19.411
39 H GLY 42 H GLY 42 29.410 28.253 22.918
40 HA2 GLY 42 2HA GLY 42 29.996 26.240 23.927
41 HA3 GLY 42 3HA GLY 42 31.657 26.413 23.382
42 H LYS 43 H LYS 43 31.342 29.377 24.669
43 HA LYS 43 HA LYS 43 32.075 28.586 27.408
44 HB2 LYS 43 2HB LYS 43 33.692 29.915 26.184
45 HB3 LYS 43 3HB LYS 43 32.463 31.081 25.718
46 HG2 LYS 43 2HG LYS 43 33.796 32.045 27.398
47 HG3 LYS 43 3HG LYS 43 32.191 31.783 28.058
48 HD2 LYS 43 2HD LYS 43 34.499 29.855 28.573
49 HD3 LYS 43 3HD LYS 43 34.264 31.332 29.526
50 HE2 LYS 43 2HE LYS 43 31.964 30.569 30.089
51 HE3 LYS 43 3HE LYS 43 32.317 29.024 29.296
52 HZ1 LYS 43 3HZ LYS 43 34.090 28.687 30.859
53 HZ2 LYS 43 1HZ LYS 43 32.677 28.934 31.656
54 HZ3 LYS 43 2HZ LYS 43 33.795 30.139 31.579
55 H GLY 44 H GLY 44 30.135 31.126 25.720
56 HA2 GLY 44 2HA GLY 44 28.527 31.768 28.016
57 HA3 GLY 44 3HA GLY 44 28.272 32.285 26.351
58 H GLY 45 H GLY 45 28.472 28.968 26.209
59 HA2 GLY 45 2HA GLY 45 25.605 28.417 26.755
60 HA3 GLY 45 3HA GLY 45 26.305 28.080 25.173
61 H GLU 46 H GLU 46 25.245 26.460 27.540
62 HA GLU 46 HA GLU 46 27.150 24.239 27.255
63 HB2 GLU 46 2HB GLU 46 26.529 25.711 29.753
64 HB3 GLU 46 3HB GLU 46 26.126 24.020 29.894
65 HG2 GLU 46 2HG GLU 46 28.815 25.123 29.008
66 HG3 GLU 46 3HG GLU 46 28.432 24.520 30.624
67 H CYS 47 H CYS 47 26.041 22.192 28.214
68 HA CYS 47 HA CYS 47 23.426 21.708 27.095
69 HB2 CYS 47 2HB CYS 47 25.250 20.240 29.011
70 HB3 CYS 47 3HB CYS 47 23.629 19.667 28.644
71 H ASN 48 H ASN 48 21.776 22.867 27.840
72 HA ASN 48 HA ASN 48 21.182 22.975 30.755
73 HB2 ASN 48 2HB ASN 48 21.049 25.159 28.647
74 HB3 ASN 48 3HB ASN 48 20.063 25.229 30.105
75 HD21 ASN 48 2HD2 ASN 48 24.091 26.028 30.331
76 HD22 ASN 48 1HD2 ASN 48 23.379 25.405 28.858
77 HA PRO 49 HA PRO 49 17.232 21.403 29.470
78 HB2 PRO 49 3HB PRO 49 16.685 21.211 31.710
79 HB3 PRO 49 2HB PRO 49 15.478 22.475 31.314
80 HG2 PRO 49 2HG PRO 49 16.913 24.208 32.106
81 HG3 PRO 49 3HG PRO 49 17.272 22.906 33.282
82 HD2 PRO 49 2HD PRO 49 19.210 24.098 31.807
83 HD3 PRO 49 3HD PRO 49 19.280 22.354 32.195
84 H LEU 50 H LEU 50 15.292 21.933 28.406
85 HA LEU 50 HA LEU 50 15.087 24.267 26.812
86 HB2 LEU 50 2HB LEU 50 13.108 22.147 27.700
87 HB3 LEU 50 3HB LEU 50 12.771 23.325 26.438
88 HG LEU 50 HG LEU 50 15.262 21.600 26.176
89 HD11 LEU 50 1HD1 LEU 50 13.952 19.872 25.035
90 HD12 LEU 50 2HD1 LEU 50 12.440 20.710 25.474
91 HD13 LEU 50 3HD1 LEU 50 13.485 20.027 26.743
92 HD21 LEU 50 3HD2 LEU 50 14.702 21.821 23.802
93 HD22 LEU 50 1HD2 LEU 50 14.972 23.377 24.624
94 HD23 LEU 50 2HD2 LEU 50 13.316 22.845 24.222
95 H ASP 51 H ASP 51 13.719 23.411 29.954
96 HA ASP 51 HA ASP 51 12.111 25.835 30.242
97 HB2 ASP 51 2HB ASP 51 12.835 23.598 32.169
98 HB3 ASP 51 3HB ASP 51 11.704 24.922 32.506
99 H ARG 52 H ARG 52 14.631 26.709 29.595
100 HA ARG 52 HA ARG 52 15.402 28.142 32.075
101 HB2 ARG 52 2HB ARG 52 17.042 26.306 31.240
102 HB3 ARG 52 3HB ARG 52 17.334 27.363 29.873
103 HG2 ARG 52 2HG ARG 52 19.058 27.803 31.454
104 HG3 ARG 52 3HG ARG 52 17.980 29.192 31.503
105 HD2 ARG 52 2HD ARG 52 18.338 28.781 33.769
106 HD3 ARG 52 3HD ARG 52 16.832 27.935 33.519
107 HE ARG 52 HE ARG 52 17.858 25.887 33.784
108 HH11 ARG 52 1HH1 ARG 52 20.374 28.415 33.763
109 HH12 ARG 52 2HH1 ARG 52 21.595 27.327 34.381
110 HH21 ARG 52 2HH2 ARG 52 21.117 25.175 34.804
111 HH22 ARG 52 1HH2 ARG 52 19.506 24.531 34.576
112 H GLN 53 H GLN 53 16.033 30.265 31.805
113 HA GLN 53 HA GLN 53 14.853 31.770 29.671
114 HB2 GLN 53 2HB GLN 53 15.777 33.713 30.938
115 HB3 GLN 53 3HB GLN 53 14.720 32.667 31.871
116 HG2 GLN 53 2HG GLN 53 16.370 31.974 33.296
117 HG3 GLN 53 3HG GLN 53 17.634 31.998 32.079
118 HE21 GLN 53 2HE2 GLN 53 18.857 35.168 32.991
119 HE22 GLN 53 1HE2 GLN 53 19.039 33.729 32.011
120 H CYS 54 H CYS 54 16.199 30.627 27.932
121 HA CYS 54 HA CYS 54 18.178 32.546 27.083
122 HB2 CYS 54 2HB CYS 54 19.398 30.742 28.513
123 HB3 CYS 54 3HB CYS 54 19.183 29.708 27.105
124 H LYS 55 H LYS 55 19.094 31.899 24.927
125 HA LYS 55 HA LYS 55 16.924 31.615 23.089
126 HB2 LYS 55 2HB LYS 55 18.974 33.090 22.930
127 HB3 LYS 55 3HB LYS 55 19.902 31.670 22.461
128 HG2 LYS 55 2HG LYS 55 17.402 32.098 20.886
129 HG3 LYS 55 3HG LYS 55 18.510 33.448 20.817
130 HD2 LYS 55 2HD LYS 55 19.599 30.659 20.353
131 HD3 LYS 55 3HD LYS 55 18.637 31.436 19.094
132 HE2 LYS 55 2HE LYS 55 21.089 32.731 20.366
133 HE3 LYS 55 3HE LYS 55 21.117 31.738 18.889
134 HZ1 LYS 55 3HZ LYS 55 19.683 34.253 19.291
135 HZ2 LYS 55 1HZ LYS 55 19.547 33.305 17.945
136 HZ3 LYS 55 2HZ LYS 55 21.004 33.976 18.342
137 H GLU 56 H GLU 56 17.033 30.199 21.144
138 HA GLU 56 HA GLU 56 18.141 27.488 21.554
139 HB2 GLU 56 2HB GLU 56 15.818 27.435 22.299
140 HB3 GLU 56 3HB GLU 56 15.271 28.192 20.800
141 HG2 GLU 56 2HG GLU 56 15.956 26.257 19.497
142 HG3 GLU 56 3HG GLU 56 16.713 25.504 20.902
143 H LEU 57 H LEU 57 19.502 27.183 19.944
144 HA LEU 57 HA LEU 57 19.086 28.160 17.193
145 HB2 LEU 57 2HB LEU 57 21.210 26.442 18.552
146 HB3 LEU 57 3HB LEU 57 21.240 26.774 16.830
147 HG LEU 57 HG LEU 57 21.454 28.780 19.090
148 HD11 LEU 57 1HD1 LEU 57 23.730 29.131 18.237
149 HD12 LEU 57 2HD1 LEU 57 23.455 27.939 16.951
150 HD13 LEU 57 3HD1 LEU 57 23.485 27.435 18.648
151 HD21 LEU 57 3HD2 LEU 57 21.985 30.472 17.349
152 HD22 LEU 57 1HD2 LEU 57 20.304 29.942 17.298
153 HD23 LEU 57 2HD2 LEU 57 21.469 29.323 16.098
154 H GLN 58 H GLN 58 19.589 26.403 15.519
155 HA GLN 58 HA GLN 58 17.779 24.080 15.946
156 HB2 GLN 58 2HB GLN 58 17.295 24.140 13.558
157 HB3 GLN 58 3HB GLN 58 16.841 25.638 14.374
158 HG2 GLN 58 2HG GLN 58 18.806 26.786 13.458
159 HG3 GLN 58 3HG GLN 58 19.337 25.297 12.664
160 HE21 GLN 58 2HE2 GLN 58 17.579 26.120 9.746
161 HE22 GLN 58 1HE2 GLN 58 19.016 25.456 10.497
162 H ALA 59 H ALA 59 20.820 25.098 14.302
163 HA ALA 59 HA ALA 59 21.553 22.436 13.529
164 HB1 ALA 59 1HB ALA 59 23.284 24.915 13.875
165 HB2 ALA 59 2HB ALA 59 23.683 23.446 12.957
166 HB3 ALA 59 3HB ALA 59 22.361 24.493 12.416
167 H GLU 60 H GLU 60 22.432 24.542 16.334
168 HA GLU 60 HA GLU 60 24.130 22.477 17.517
169 HB2 GLU 60 2HB GLU 60 23.233 25.238 18.351
170 HB3 GLU 60 3HB GLU 60 24.252 24.214 19.356
171 HG2 GLU 60 2HG GLU 60 25.096 25.010 16.551
172 HG3 GLU 60 3HG GLU 60 25.436 25.977 17.986
173 H SER 61 H SER 61 20.730 23.027 17.524
174 HA SER 61 HA SER 61 20.090 22.345 20.187
175 HB2 SER 61 2HB SER 61 18.479 23.146 18.454
176 HB3 SER 61 3HB SER 61 18.562 21.561 17.672
177 HG SER 61 HG SER 61 16.818 21.727 19.100
178 H ALA 62 H ALA 62 21.115 20.332 17.472
179 HA ALA 62 HA ALA 62 20.521 17.755 18.570
180 HB1 ALA 62 1HB ALA 62 22.521 18.638 16.471
181 HB2 ALA 62 2HB ALA 62 21.999 16.965 16.768
182 HB3 ALA 62 3HB ALA 62 20.829 18.165 16.196
183 H SER 63 H SER 63 22.923 20.011 19.586
184 HA SER 63 HA SER 63 25.203 18.450 19.848
185 HB2 SER 63 2HB SER 63 25.120 20.909 19.930
186 HB3 SER 63 3HB SER 63 24.336 20.841 21.523
187 HG SER 63 HG SER 63 26.642 21.132 21.538
188 H CYS 64 H CYS 64 22.727 19.117 22.405
189 HA CYS 64 HA CYS 64 23.939 16.961 24.040
190 HB2 CYS 64 2HB CYS 64 22.889 19.442 24.818
191 HB3 CYS 64 3HB CYS 64 21.666 18.315 25.285
192 H GLY 65 H GLY 65 21.575 17.242 21.715
193 HA2 GLY 65 2HA GLY 65 20.883 14.954 21.033
194 HA3 GLY 65 3HA GLY 65 20.201 14.754 22.635
195 H LYS 66 H LYS 66 18.116 14.993 22.725
196 HA LYS 66 HA LYS 66 16.621 16.733 20.858
197 HB2 LYS 66 2HB LYS 66 15.014 14.903 20.546
198 HB3 LYS 66 3HB LYS 66 16.626 14.498 19.971
199 HG2 LYS 66 2HG LYS 66 17.067 13.170 21.971
200 HG3 LYS 66 3HG LYS 66 15.472 13.550 22.613
201 HD2 LYS 66 2HD LYS 66 14.399 12.414 20.662
202 HD3 LYS 66 3HD LYS 66 15.994 12.064 19.972
203 HE2 LYS 66 2HE LYS 66 16.525 10.686 21.937
204 HE3 LYS 66 3HE LYS 66 14.930 11.100 22.628
205 HZ1 LYS 66 3HZ LYS 66 15.441 9.663 20.124
206 HZ2 LYS 66 1HZ LYS 66 13.952 9.987 20.738
207 HZ3 LYS 66 2HZ LYS 66 14.975 8.989 21.552
208 H GLY 67 H GLY 67 17.365 17.252 23.571
209 HA2 GLY 67 2HA GLY 67 14.782 17.786 24.836
210 HA3 GLY 67 3HA GLY 67 15.918 16.785 25.736
211 H GLN 68 H GLN 68 17.470 19.153 23.696
212 HA GLN 68 HA GLN 68 17.922 20.973 25.989
213 HB2 GLN 68 2HB GLN 68 20.171 20.924 25.690
214 HB3 GLN 68 3HB GLN 68 19.711 19.254 25.457
215 HG2 GLN 68 2HG GLN 68 20.834 19.315 23.498
216 HG3 GLN 68 3HG GLN 68 19.533 20.247 22.879
217 HE21 GLN 68 2HE2 GLN 68 22.811 22.494 24.111
218 HE22 GLN 68 1HE2 GLN 68 22.193 21.257 25.188
219 H LYS 69 H LYS 69 19.395 22.799 25.038
220 HA LYS 69 HA LYS 69 18.770 23.754 22.399
221 HB2 LYS 69 2HB LYS 69 17.823 25.931 23.083
222 HB3 LYS 69 3HB LYS 69 16.733 24.560 23.308
223 HG2 LYS 69 2HG LYS 69 17.201 24.575 25.744
224 HG3 LYS 69 3HG LYS 69 18.329 25.927 25.505
225 HD2 LYS 69 2HD LYS 69 16.385 27.289 24.584
226 HD3 LYS 69 3HD LYS 69 15.320 25.916 24.927
227 HE2 LYS 69 2HE LYS 69 15.050 27.279 26.800
228 HE3 LYS 69 3HE LYS 69 16.195 26.028 27.338
229 HZ1 LYS 69 3HZ LYS 69 16.765 28.240 27.964
230 HZ2 LYS 69 1HZ LYS 69 16.917 28.688 26.383
231 HZ3 LYS 69 2HZ LYS 69 17.941 27.556 27.028
232 H CYS 70 H CYS 70 20.251 25.256 21.683
233 HA CYS 70 HA CYS 70 22.635 25.473 23.334
234 HB2 CYS 70 2HB CYS 70 22.624 24.783 20.932
235 HB3 CYS 70 3HB CYS 70 22.315 26.471 20.501
236 H CYS 71 H CYS 71 22.524 26.959 24.854
237 HA CYS 71 HA CYS 71 21.244 29.530 24.641
238 HB2 CYS 71 2HB CYS 71 21.386 28.238 26.703
239 HB3 CYS 71 3HB CYS 71 23.141 28.254 26.651
240 H VAL 72 H VAL 72 22.256 31.566 24.630
241 HA VAL 72 HA VAL 72 25.115 31.739 23.905
242 HB VAL 72 HB VAL 72 24.629 33.432 22.307
243 HG11 VAL 72 1HG1 VAL 72 23.526 32.199 20.550
244 HG12 VAL 72 2HG1 VAL 72 24.523 31.096 21.512
245 HG13 VAL 72 3HG1 VAL 72 22.758 31.108 21.715
246 HG21 VAL 72 3HG2 VAL 72 22.727 34.565 23.238
247 HG22 VAL 72 1HG2 VAL 72 22.299 34.024 21.619
248 HG23 VAL 72 2HG2 VAL 72 21.689 33.138 23.033
249 H TRP 73 H TRP 73 25.445 34.441 23.968
250 HA TRP 73 HA TRP 73 25.849 34.948 26.673
251 HB2 TRP 73 2HB TRP 73 25.639 36.926 24.371
252 HB3 TRP 73 3HB TRP 73 26.363 37.248 25.942
253 HD1 TRP 73 HD1 TRP 73 27.365 36.347 22.588
254 HE1 TRP 73 HE1 TRP 73 29.725 35.382 22.501
255 HE3 TRP 73 HE3 TRP 73 27.961 35.318 27.542
256 HZ2 TRP 73 HZ2 TRP 73 31.666 34.287 24.373
257 HZ3 TRP 73 HZ3 TRP 73 30.078 34.298 28.377
258 HH2 TRP 73 HH2 TRP 73 31.934 33.804 26.801
259 H LEU 74 H LEU 74 23.329 36.321 24.586
260 HA LEU 74 HA LEU 74 21.736 37.221 26.962
261 HB2 LEU 74 2HB LEU 74 22.168 38.418 24.203
262 HB3 LEU 74 3HB LEU 74 20.704 38.741 25.115
263 HG LEU 74 HG LEU 74 22.055 39.662 26.997
264 HD11 LEU 74 1HD1 LEU 74 24.387 39.334 25.056
265 HD12 LEU 74 2HD1 LEU 74 24.254 38.701 26.715
266 HD13 LEU 74 3HD1 LEU 74 24.401 40.431 26.454
267 HD21 LEU 74 3HD2 LEU 74 22.544 41.790 25.835
268 HD22 LEU 74 1HD2 LEU 74 21.011 41.096 25.289
269 HD23 LEU 74 2HD2 LEU 74 22.459 40.958 24.266
270 H HIS 75 H HIS 75 19.589 36.645 27.063
271 HA HIS 75 HA HIS 75 18.810 34.264 25.760
272 HB2 HIS 75 2HB HIS 75 16.700 34.525 26.934
273 HB3 HIS 75 3HB HIS 75 18.075 34.828 27.984
274 HD1 HIS 75 HD1 HIS 75 15.652 37.077 25.927
275 HD2 HIS 75 HD2 HIS 75 17.778 36.842 29.556
276 HE1 HIS 75 HE1 HIS 75 14.988 39.157 27.318
277 HE2 HIS 75 HE2 HIS 75 16.295 38.990 29.520
Start of MODEL 13
1 H1 LEU 37 H LEU 37 29.515 28.140 12.049
2 HA LEU 37 HA LEU 37 28.851 25.330 12.389
3 HB2 LEU 37 2HB LEU 37 31.007 24.735 11.526
4 HB3 LEU 37 3HB LEU 37 30.149 25.755 10.383
5 HG LEU 37 HG LEU 37 31.585 27.714 11.534
6 HD11 LEU 37 1HD1 LEU 37 33.854 26.956 12.093
7 HD12 LEU 37 2HD1 LEU 37 33.377 25.257 11.855
8 HD13 LEU 37 3HD1 LEU 37 32.708 26.190 13.204
9 HD21 LEU 37 3HD2 LEU 37 31.632 27.104 9.156
10 HD22 LEU 37 1HD2 LEU 37 32.734 25.746 9.495
11 HD23 LEU 37 2HD2 LEU 37 33.269 27.420 9.753
12 H THR 38 H THR 38 30.266 28.163 13.901
13 HA THR 38 HA THR 38 30.905 26.511 16.278
14 HB THR 38 HB THR 38 32.957 27.284 15.134
15 HG1 THR 38 1HG THR 38 33.867 28.196 17.000
16 HG21 THR 38 1HG2 THR 38 32.030 30.107 15.826
17 HG22 THR 38 2HG2 THR 38 32.187 29.438 14.186
18 HG23 THR 38 3HG2 THR 38 33.621 29.647 15.195
19 H GLY 39 H GLY 39 30.871 27.742 18.312
20 HA2 GLY 39 2HA GLY 39 29.608 30.204 18.739
21 HA3 GLY 39 3HA GLY 39 28.323 28.985 18.727
22 H CYS 40 H CYS 40 28.500 27.186 20.257
23 HA CYS 40 HA CYS 40 29.031 28.113 22.874
24 HB2 CYS 40 2HB CYS 40 28.398 25.334 21.822
25 HB3 CYS 40 3HB CYS 40 28.481 25.768 23.529
26 H LYS 41 H LYS 41 30.893 25.734 20.869
27 HA LYS 41 HA LYS 41 32.757 25.040 22.835
28 HB2 LYS 41 2HB LYS 41 32.226 24.069 20.442
29 HB3 LYS 41 3HB LYS 41 33.503 25.171 19.911
30 HG2 LYS 41 2HG LYS 41 34.904 24.026 21.865
31 HG3 LYS 41 3HG LYS 41 33.633 22.806 21.806
32 HD2 LYS 41 2HD LYS 41 35.355 21.985 20.435
33 HD3 LYS 41 3HD LYS 41 34.165 22.613 19.279
34 HE2 LYS 41 2HE LYS 41 35.485 24.731 19.106
35 HE3 LYS 41 3HE LYS 41 36.656 24.099 20.262
36 HZ1 LYS 41 3HZ LYS 41 36.071 22.954 17.610
37 HZ2 LYS 41 1HZ LYS 41 37.106 22.303 18.706
38 HZ3 LYS 41 2HZ LYS 41 37.437 23.763 18.027
39 H GLY 42 H GLY 42 32.559 28.022 20.986
40 HA2 GLY 42 2HA GLY 42 35.281 28.779 20.872
41 HA3 GLY 42 3HA GLY 42 33.895 29.863 20.789
42 H LYS 43 H LYS 43 33.044 28.815 23.582
43 HA LYS 43 HA LYS 43 35.153 29.978 25.307
44 HB2 LYS 43 2HB LYS 43 32.206 30.767 25.320
45 HB3 LYS 43 3HB LYS 43 33.317 31.061 26.652
46 HG2 LYS 43 2HG LYS 43 33.630 33.054 25.659
47 HG3 LYS 43 3HG LYS 43 34.820 32.167 24.732
48 HD2 LYS 43 2HD LYS 43 33.652 33.368 23.101
49 HD3 LYS 43 3HD LYS 43 32.936 31.765 22.987
50 HE2 LYS 43 2HE LYS 43 31.175 33.393 22.882
51 HE3 LYS 43 3HE LYS 43 31.047 32.559 24.441
52 HZ1 LYS 43 3HZ LYS 43 32.383 35.149 24.056
53 HZ2 LYS 43 1HZ LYS 43 32.040 34.414 25.493
54 HZ3 LYS 43 2HZ LYS 43 30.820 34.992 24.551
55 H GLY 44 H GLY 44 33.355 27.287 24.612
56 HA2 GLY 44 2HA GLY 44 34.017 25.362 25.877
57 HA3 GLY 44 3HA GLY 44 33.605 26.184 27.379
58 H GLY 45 H GLY 45 31.185 27.428 26.694
59 HA2 GLY 45 2HA GLY 45 28.876 27.085 26.382
60 HA3 GLY 45 3HA GLY 45 29.285 25.568 25.580
61 H GLU 46 H GLU 46 27.031 25.688 27.121
62 HA GLU 46 HA GLU 46 27.688 23.745 29.231
63 HB2 GLU 46 2HB GLU 46 26.052 26.279 29.622
64 HB3 GLU 46 3HB GLU 46 25.762 24.826 30.586
65 HG2 GLU 46 2HG GLU 46 28.053 24.817 31.391
66 HG3 GLU 46 3HG GLU 46 28.446 26.235 30.402
67 H CYS 47 H CYS 47 26.365 22.062 29.209
68 HA CYS 47 HA CYS 47 24.144 21.892 27.290
69 HB2 CYS 47 2HB CYS 47 25.193 19.822 29.251
70 HB3 CYS 47 3HB CYS 47 23.957 19.592 28.012
71 H ASN 48 H ASN 48 22.279 22.754 27.871
72 HA ASN 48 HA ASN 48 21.412 22.860 30.721
73 HB2 ASN 48 2HB ASN 48 20.700 24.456 28.227
74 HB3 ASN 48 3HB ASN 48 19.720 24.514 29.682
75 HD21 ASN 48 2HD2 ASN 48 23.447 26.317 29.727
76 HD22 ASN 48 1HD2 ASN 48 23.164 24.995 28.611
77 HA PRO 49 HA PRO 49 18.095 20.014 29.687
78 HB2 PRO 49 3HB PRO 49 17.646 19.947 31.980
79 HB3 PRO 49 2HB PRO 49 16.125 20.725 31.448
80 HG2 PRO 49 2HG PRO 49 16.956 22.894 32.002
81 HG3 PRO 49 3HG PRO 49 17.696 21.917 33.309
82 HD2 PRO 49 2HD PRO 49 19.173 23.464 31.593
83 HD3 PRO 49 3HD PRO 49 19.791 21.931 32.265
84 H LEU 50 H LEU 50 16.202 19.963 28.458
85 HA LEU 50 HA LEU 50 15.756 22.074 26.625
86 HB2 LEU 50 2HB LEU 50 14.042 19.677 27.340
87 HB3 LEU 50 3HB LEU 50 13.854 20.624 25.871
88 HG LEU 50 HG LEU 50 16.521 19.279 26.493
89 HD11 LEU 50 1HD1 LEU 50 14.825 17.568 26.728
90 HD12 LEU 50 2HD1 LEU 50 15.713 17.318 25.203
91 HD13 LEU 50 3HD1 LEU 50 14.083 18.036 25.181
92 HD21 LEU 50 3HD2 LEU 50 15.239 19.781 23.788
93 HD22 LEU 50 1HD2 LEU 50 16.945 19.431 24.166
94 HD23 LEU 50 2HD2 LEU 50 16.237 20.993 24.596
95 H ASP 51 H ASP 51 14.120 21.216 29.619
96 HA ASP 51 HA ASP 51 11.809 22.810 29.540
97 HB2 ASP 51 2HB ASP 51 13.635 22.326 31.927
98 HB3 ASP 51 3HB ASP 51 11.935 22.788 31.996
99 H ARG 52 H ARG 52 15.174 23.869 29.911
100 HA ARG 52 HA ARG 52 14.608 26.468 31.051
101 HB2 ARG 52 2HB ARG 52 16.770 25.088 31.222
102 HB3 ARG 52 3HB ARG 52 17.104 25.584 29.591
103 HG2 ARG 52 2HG ARG 52 18.243 27.190 30.904
104 HG3 ARG 52 3HG ARG 52 16.783 28.023 30.378
105 HD2 ARG 52 2HD ARG 52 16.925 28.517 32.675
106 HD3 ARG 52 3HD ARG 52 15.727 27.241 32.623
107 HE ARG 52 HE ARG 52 18.524 26.394 33.029
108 HH11 ARG 52 1HH1 ARG 52 15.457 27.147 34.678
109 HH12 ARG 52 2HH1 ARG 52 15.919 26.271 36.118
110 HH21 ARG 52 2HH2 ARG 52 17.943 25.207 36.229
111 HH22 ARG 52 1HH2 ARG 52 19.039 25.251 34.862
112 H GLN 53 H GLN 53 14.053 28.251 30.045
113 HA GLN 53 HA GLN 53 13.809 28.392 27.120
114 HB2 GLN 53 2HB GLN 53 13.068 30.384 29.306
115 HB3 GLN 53 3HB GLN 53 12.787 30.609 27.571
116 HG2 GLN 53 2HG GLN 53 11.425 28.480 27.577
117 HG3 GLN 53 3HG GLN 53 11.581 28.441 29.338
118 HE21 GLN 53 2HE2 GLN 53 9.002 31.086 27.515
119 HE22 GLN 53 1HE2 GLN 53 10.136 30.135 26.573
120 H CYS 54 H CYS 54 15.676 28.676 26.086
121 HA CYS 54 HA CYS 54 17.018 31.246 26.419
122 HB2 CYS 54 2HB CYS 54 19.233 30.420 26.483
123 HB3 CYS 54 3HB CYS 54 18.362 29.586 27.763
124 H LYS 55 H LYS 55 18.714 31.413 24.522
125 HA LYS 55 HA LYS 55 17.389 30.896 21.995
126 HB2 LYS 55 2HB LYS 55 18.820 32.919 22.550
127 HB3 LYS 55 3HB LYS 55 20.224 31.851 22.511
128 HG2 LYS 55 2HG LYS 55 19.407 31.193 20.116
129 HG3 LYS 55 3HG LYS 55 18.327 32.579 20.263
130 HD2 LYS 55 2HD LYS 55 20.080 33.688 19.299
131 HD3 LYS 55 3HD LYS 55 20.684 33.793 20.948
132 HE2 LYS 55 2HE LYS 55 21.358 31.658 18.875
133 HE3 LYS 55 3HE LYS 55 22.394 33.030 19.281
134 HZ1 LYS 55 3HZ LYS 55 23.071 31.008 20.375
135 HZ2 LYS 55 1HZ LYS 55 21.623 30.901 21.160
136 HZ3 LYS 55 2HZ LYS 55 22.650 32.161 21.467
137 H GLU 56 H GLU 56 17.178 28.652 21.793
138 HA GLU 56 HA GLU 56 19.334 26.796 22.137
139 HB2 GLU 56 2HB GLU 56 16.963 26.217 22.375
140 HB3 GLU 56 3HB GLU 56 16.693 26.501 20.643
141 HG2 GLU 56 2HG GLU 56 18.265 24.694 20.085
142 HG3 GLU 56 3HG GLU 56 18.669 24.484 21.785
143 H LEU 57 H LEU 57 20.889 26.208 20.825
144 HA LEU 57 HA LEU 57 21.432 27.423 18.257
145 HB2 LEU 57 2HB LEU 57 22.731 25.335 20.042
146 HB3 LEU 57 3HB LEU 57 23.363 25.670 18.447
147 HG LEU 57 HG LEU 57 24.561 26.812 20.289
148 HD11 LEU 57 1HD1 LEU 57 24.788 28.994 19.175
149 HD12 LEU 57 2HD1 LEU 57 23.326 28.660 18.220
150 HD13 LEU 57 3HD1 LEU 57 24.781 27.654 18.026
151 HD21 LEU 57 3HD2 LEU 57 22.180 28.664 20.544
152 HD22 LEU 57 1HD2 LEU 57 23.744 28.789 21.367
153 HD23 LEU 57 2HD2 LEU 57 22.663 27.437 21.745
154 H GLN 58 H GLN 58 22.332 25.685 16.500
155 HA GLN 58 HA GLN 58 20.129 23.726 16.039
156 HB2 GLN 58 2HB GLN 58 20.144 24.218 13.718
157 HB3 GLN 58 3HB GLN 58 19.936 25.719 14.623
158 HG2 GLN 58 2HG GLN 58 22.393 26.187 14.289
159 HG3 GLN 58 3HG GLN 58 22.480 24.767 13.238
160 HE21 GLN 58 2HE2 GLN 58 21.773 28.108 11.401
161 HE22 GLN 58 1HE2 GLN 58 22.774 27.825 12.814
162 H ALA 59 H ALA 59 23.584 24.347 15.609
163 HA ALA 59 HA ALA 59 24.028 21.465 14.953
164 HB1 ALA 59 1HB ALA 59 24.986 23.119 13.400
165 HB2 ALA 59 2HB ALA 59 25.889 23.865 14.740
166 HB3 ALA 59 3HB ALA 59 26.252 22.202 14.239
167 H GLU 60 H GLU 60 24.669 23.974 17.376
168 HA GLU 60 HA GLU 60 26.422 22.224 18.973
169 HB2 GLU 60 2HB GLU 60 25.448 25.079 19.201
170 HB3 GLU 60 3HB GLU 60 26.363 24.313 20.488
171 HG2 GLU 60 2HG GLU 60 27.434 24.463 17.638
172 HG3 GLU 60 3HG GLU 60 27.590 25.800 18.771
173 H SER 61 H SER 61 23.036 22.989 18.735
174 HA SER 61 HA SER 61 22.270 22.193 21.413
175 HB2 SER 61 2HB SER 61 20.786 23.511 20.022
176 HB3 SER 61 3HB SER 61 20.801 22.277 18.749
177 HG SER 61 HG SER 61 18.893 22.187 20.216
178 H ALA 62 H ALA 62 22.792 20.495 18.298
179 HA ALA 62 HA ALA 62 21.942 17.922 19.203
180 HB1 ALA 62 1HB ALA 62 21.924 18.647 16.839
181 HB2 ALA 62 2HB ALA 62 23.696 18.761 16.849
182 HB3 ALA 62 3HB ALA 62 22.902 17.185 17.067
183 H SER 63 H SER 63 24.776 19.692 19.953
184 HA SER 63 HA SER 63 26.811 17.787 19.674
185 HB2 SER 63 2HB SER 63 27.034 20.283 19.982
186 HB3 SER 63 3HB SER 63 26.689 20.044 21.706
187 HG SER 63 HG SER 63 28.869 19.120 20.172
188 H CYS 64 H CYS 64 24.879 18.577 22.641
189 HA CYS 64 HA CYS 64 26.333 16.686 24.257
190 HB2 CYS 64 2HB CYS 64 24.702 18.877 24.754
191 HB3 CYS 64 3HB CYS 64 23.713 17.532 25.293
192 H GLY 65 H GLY 65 23.928 16.154 21.955
193 HA2 GLY 65 2HA GLY 65 23.031 14.091 21.337
194 HA3 GLY 65 3HA GLY 65 23.327 13.442 22.951
195 H LYS 66 H LYS 66 20.997 12.844 21.924
196 HA LYS 66 HA LYS 66 18.841 14.676 22.107
197 HB2 LYS 66 2HB LYS 66 18.902 11.631 22.249
198 HB3 LYS 66 3HB LYS 66 17.443 12.601 22.187
199 HG2 LYS 66 2HG LYS 66 17.685 11.998 19.970
200 HG3 LYS 66 3HG LYS 66 18.317 13.630 20.009
201 HD2 LYS 66 2HD LYS 66 19.682 12.242 18.576
202 HD3 LYS 66 3HD LYS 66 20.653 12.666 19.976
203 HE2 LYS 66 2HE LYS 66 20.101 10.446 21.006
204 HE3 LYS 66 3HE LYS 66 19.153 10.029 19.574
205 HZ1 LYS 66 3HZ LYS 66 21.141 10.214 18.267
206 HZ2 LYS 66 1HZ LYS 66 21.378 9.130 19.484
207 HZ3 LYS 66 2HZ LYS 66 22.031 10.644 19.588
208 H GLY 67 H GLY 67 17.937 15.569 23.797
209 HA2 GLY 67 2HA GLY 67 16.689 15.163 25.894
210 HA3 GLY 67 3HA GLY 67 18.110 14.326 26.512
211 H GLN 68 H GLN 68 19.656 16.686 24.916
212 HA GLN 68 HA GLN 68 19.194 18.910 26.821
213 HB2 GLN 68 2HB GLN 68 21.834 17.493 26.287
214 HB3 GLN 68 3HB GLN 68 21.717 19.093 27.033
215 HG2 GLN 68 2HG GLN 68 20.398 18.158 28.880
216 HG3 GLN 68 3HG GLN 68 20.524 16.541 28.164
217 HE21 GLN 68 2HE2 GLN 68 23.964 16.018 29.028
218 HE22 GLN 68 1HE2 GLN 68 22.711 15.596 27.877
219 H LYS 69 H LYS 69 20.554 20.814 26.144
220 HA LYS 69 HA LYS 69 21.249 21.035 23.329
221 HB2 LYS 69 2HB LYS 69 19.753 23.036 23.012
222 HB3 LYS 69 3HB LYS 69 18.984 21.464 23.032
223 HG2 LYS 69 2HG LYS 69 17.562 22.958 24.145
224 HG3 LYS 69 3HG LYS 69 18.199 21.842 25.354
225 HD2 LYS 69 2HD LYS 69 19.720 23.572 26.191
226 HD3 LYS 69 3HD LYS 69 19.178 24.689 24.908
227 HE2 LYS 69 2HE LYS 69 16.864 24.554 25.784
228 HE3 LYS 69 3HE LYS 69 17.388 23.413 27.027
229 HZ1 LYS 69 3HZ LYS 69 18.394 26.144 26.751
230 HZ2 LYS 69 1HZ LYS 69 18.730 25.087 27.971
231 HZ3 LYS 69 2HZ LYS 69 17.201 25.682 27.787
232 H CYS 70 H CYS 70 21.942 23.466 22.909
233 HA CYS 70 HA CYS 70 23.492 24.430 25.272
234 HB2 CYS 70 2HB CYS 70 24.729 23.754 23.120
235 HB3 CYS 70 3HB CYS 70 24.006 25.195 22.394
236 H CYS 71 H CYS 71 23.735 26.799 25.389
237 HA CYS 71 HA CYS 71 21.386 28.375 24.448
238 HB2 CYS 71 2HB CYS 71 22.820 28.427 27.134
239 HB3 CYS 71 3HB CYS 71 21.652 29.633 26.618
240 H VAL 72 H VAL 72 22.113 30.867 25.043
241 HA VAL 72 HA VAL 72 23.980 31.704 23.180
242 HB VAL 72 HB VAL 72 24.081 33.827 24.359
243 HG11 VAL 72 1HG1 VAL 72 21.237 32.752 24.337
244 HG12 VAL 72 2HG1 VAL 72 21.733 34.448 24.225
245 HG13 VAL 72 3HG1 VAL 72 22.137 33.339 22.913
246 HG21 VAL 72 3HG2 VAL 72 22.428 32.500 26.570
247 HG22 VAL 72 1HG2 VAL 72 24.081 33.129 26.733
248 HG23 VAL 72 2HG2 VAL 72 22.748 34.239 26.423
249 H TRP 73 H TRP 73 26.081 31.980 23.021
250 HA TRP 73 HA TRP 73 27.889 30.588 24.746
251 HB2 TRP 73 2HB TRP 73 29.582 31.593 23.180
252 HB3 TRP 73 3HB TRP 73 28.322 30.627 22.455
253 HD1 TRP 73 HD1 TRP 73 28.783 34.450 23.086
254 HE1 TRP 73 HE1 TRP 73 28.021 35.717 21.014
255 HE3 TRP 73 HE3 TRP 73 27.084 30.500 20.328
256 HZ2 TRP 73 HZ2 TRP 73 26.799 35.109 18.465
257 HZ3 TRP 73 HZ3 TRP 73 26.081 30.881 18.085
258 HH2 TRP 73 HH2 TRP 73 25.933 33.181 17.154
259 H LEU 74 H LEU 74 26.759 33.894 24.692
260 HA LEU 74 HA LEU 74 28.862 35.055 26.309
261 HB2 LEU 74 2HB LEU 74 27.434 37.007 26.364
262 HB3 LEU 74 3HB LEU 74 27.451 36.332 24.749
263 HG LEU 74 HG LEU 74 25.226 35.078 25.730
264 HD11 LEU 74 1HD1 LEU 74 23.838 36.728 26.931
265 HD12 LEU 74 2HD1 LEU 74 25.247 37.812 27.070
266 HD13 LEU 74 3HD1 LEU 74 25.230 36.235 27.905
267 HD21 LEU 74 3HD2 LEU 74 23.898 36.753 24.500
268 HD22 LEU 74 1HD2 LEU 74 25.369 36.303 23.614
269 HD23 LEU 74 2HD2 LEU 74 25.293 37.862 24.486
270 H HIS 75 H HIS 75 28.268 36.116 28.460
271 HA HIS 75 HA HIS 75 26.748 34.221 30.199
272 HB2 HIS 75 2HB HIS 75 29.187 34.084 30.523
273 HB3 HIS 75 3HB HIS 75 29.250 35.813 30.848
274 HD1 HIS 75 HD1 HIS 75 27.128 32.875 32.327
275 HD2 HIS 75 HD2 HIS 75 29.365 36.293 33.398
276 HE1 HIS 75 HE1 HIS 75 27.059 33.021 34.883
277 HE2 HIS 75 HE2 HIS 75 28.405 35.099 35.536
Start of MODEL 14
1 H1 LEU 37 H LEU 37 23.198 36.181 16.447
2 HA LEU 37 HA LEU 37 24.281 35.871 13.748
3 HB2 LEU 37 2HB LEU 37 25.482 37.445 15.194
4 HB3 LEU 37 3HB LEU 37 25.767 36.177 16.387
5 HG LEU 37 HG LEU 37 26.613 35.618 13.534
6 HD11 LEU 37 1HD1 LEU 37 28.125 37.541 15.380
7 HD12 LEU 37 2HD1 LEU 37 27.356 37.944 13.802
8 HD13 LEU 37 3HD1 LEU 37 28.756 36.831 13.853
9 HD21 LEU 37 3HD2 LEU 37 28.509 34.498 14.620
10 HD22 LEU 37 1HD2 LEU 37 26.997 33.969 15.415
11 HD23 LEU 37 2HD2 LEU 37 28.047 35.182 16.213
12 H THR 38 H THR 38 24.377 33.901 13.053
13 HA THR 38 HA THR 38 23.508 31.648 14.627
14 HB THR 38 HB THR 38 24.632 31.754 11.807
15 HG1 THR 38 1HG THR 38 22.461 31.923 11.182
16 HG21 THR 38 1HG2 THR 38 22.815 29.717 13.166
17 HG22 THR 38 2HG2 THR 38 24.483 29.433 12.616
18 HG23 THR 38 3HG2 THR 38 23.206 29.726 11.434
19 H GLY 39 H GLY 39 24.667 29.902 15.276
20 HA2 GLY 39 2HA GLY 39 26.506 28.422 15.184
21 HA3 GLY 39 3HA GLY 39 27.600 29.782 14.946
22 H CYS 40 H CYS 40 27.946 27.843 16.819
23 HA CYS 40 HA CYS 40 27.958 29.364 19.387
24 HB2 CYS 40 2HB CYS 40 27.249 26.416 19.030
25 HB3 CYS 40 3HB CYS 40 27.528 27.226 20.574
26 H LYS 41 H LYS 41 29.524 28.106 20.980
27 HA LYS 41 HA LYS 41 31.968 27.175 19.529
28 HB2 LYS 41 2HB LYS 41 31.778 29.402 21.579
29 HB3 LYS 41 3HB LYS 41 33.268 28.485 21.321
30 HG2 LYS 41 2HG LYS 41 33.124 29.055 18.858
31 HG3 LYS 41 3HG LYS 41 31.814 30.177 19.242
32 HD2 LYS 41 2HD LYS 41 34.577 30.258 20.546
33 HD3 LYS 41 3HD LYS 41 34.217 31.146 19.076
34 HE2 LYS 41 2HE LYS 41 32.533 31.525 21.568
35 HE3 LYS 41 3HE LYS 41 34.064 32.383 21.361
36 HZ1 LYS 41 3HZ LYS 41 32.209 33.675 20.569
37 HZ2 LYS 41 1HZ LYS 41 31.836 32.514 19.450
38 HZ3 LYS 41 2HZ LYS 41 33.265 33.328 19.359
39 H GLY 42 H GLY 42 29.845 26.797 22.289
40 HA2 GLY 42 2HA GLY 42 29.633 24.973 23.618
41 HA3 GLY 42 3HA GLY 42 31.067 24.255 22.890
42 H LYS 43 H LYS 43 32.042 27.275 24.005
43 HA LYS 43 HA LYS 43 32.985 26.201 26.615
44 HB2 LYS 43 2HB LYS 43 34.073 28.328 24.725
45 HB3 LYS 43 3HB LYS 43 34.499 28.291 26.430
46 HG2 LYS 43 2HG LYS 43 36.231 27.219 25.283
47 HG3 LYS 43 3HG LYS 43 35.363 25.978 26.175
48 HD2 LYS 43 2HD LYS 43 34.298 25.161 24.133
49 HD3 LYS 43 3HD LYS 43 34.897 26.528 23.189
50 HE2 LYS 43 2HE LYS 43 36.679 24.500 24.587
51 HE3 LYS 43 3HE LYS 43 36.181 24.346 22.900
52 HZ1 LYS 43 3HZ LYS 43 37.731 26.598 23.978
53 HZ2 LYS 43 1HZ LYS 43 37.229 26.436 22.426
54 HZ3 LYS 43 2HZ LYS 43 38.323 25.372 23.053
55 H GLY 44 H GLY 44 31.925 29.340 25.168
56 HA2 GLY 44 2HA GLY 44 31.233 30.500 27.706
57 HA3 GLY 44 3HA GLY 44 30.928 31.163 26.098
58 H GLY 45 H GLY 45 29.498 28.249 25.795
59 HA2 GLY 45 2HA GLY 45 27.013 28.793 27.293
60 HA3 GLY 45 3HA GLY 45 26.924 28.643 25.534
61 H GLU 46 H GLU 46 25.446 26.928 26.888
62 HA GLU 46 HA GLU 46 26.828 24.290 26.802
63 HB2 GLU 46 2HB GLU 46 25.116 25.371 29.074
64 HB3 GLU 46 3HB GLU 46 25.637 23.693 28.920
65 HG2 GLU 46 2HG GLU 46 28.012 24.416 28.967
66 HG3 GLU 46 3HG GLU 46 27.492 26.085 29.249
67 H CYS 47 H CYS 47 25.272 22.495 27.017
68 HA CYS 47 HA CYS 47 22.997 22.735 25.213
69 HB2 CYS 47 2HB CYS 47 24.215 20.437 26.773
70 HB3 CYS 47 3HB CYS 47 22.836 20.270 25.683
71 H ASN 48 H ASN 48 21.814 24.260 26.465
72 HA ASN 48 HA ASN 48 20.800 23.649 29.127
73 HB2 ASN 48 2HB ASN 48 20.378 25.849 27.067
74 HB3 ASN 48 3HB ASN 48 19.368 25.758 28.490
75 HD21 ASN 48 2HD2 ASN 48 23.322 26.928 28.912
76 HD22 ASN 48 1HD2 ASN 48 22.769 26.190 27.428
77 HA PRO 49 HA PRO 49 17.040 21.594 27.940
78 HB2 PRO 49 3HB PRO 49 16.566 21.374 30.218
79 HB3 PRO 49 2HB PRO 49 15.205 22.448 29.795
80 HG2 PRO 49 2HG PRO 49 16.427 24.391 30.533
81 HG3 PRO 49 3HG PRO 49 16.943 23.181 31.742
82 HD2 PRO 49 2HD PRO 49 18.747 24.534 30.203
83 HD3 PRO 49 3HD PRO 49 19.018 22.829 30.625
84 H LEU 50 H LEU 50 15.022 21.936 26.884
85 HA LEU 50 HA LEU 50 14.879 24.202 25.186
86 HB2 LEU 50 2HB LEU 50 12.824 22.079 25.909
87 HB3 LEU 50 3HB LEU 50 12.688 23.142 24.520
88 HG LEU 50 HG LEU 50 15.055 21.252 24.900
89 HD11 LEU 50 1HD1 LEU 50 12.988 19.961 24.912
90 HD12 LEU 50 2HD1 LEU 50 13.871 19.693 23.390
91 HD13 LEU 50 3HD1 LEU 50 12.447 20.757 23.415
92 HD21 LEU 50 3HD2 LEU 50 15.342 21.576 22.485
93 HD22 LEU 50 1HD2 LEU 50 15.374 23.137 23.314
94 HD23 LEU 50 2HD2 LEU 50 13.917 22.651 22.456
95 H ASP 51 H ASP 51 13.213 23.343 28.175
96 HA ASP 51 HA ASP 51 11.255 25.349 28.318
97 HB2 ASP 51 2HB ASP 51 12.808 23.902 30.501
98 HB3 ASP 51 3HB ASP 51 11.329 24.828 30.758
99 H ARG 52 H ARG 52 14.722 25.758 28.596
100 HA ARG 52 HA ARG 52 14.734 28.179 30.127
101 HB2 ARG 52 2HB ARG 52 16.747 26.690 29.653
102 HB3 ARG 52 3HB ARG 52 16.698 27.217 27.977
103 HG2 ARG 52 2HG ARG 52 18.359 28.446 29.065
104 HG3 ARG 52 3HG ARG 52 17.031 29.597 28.801
105 HD2 ARG 52 2HD ARG 52 16.421 29.557 31.126
106 HD3 ARG 52 3HD ARG 52 17.235 28.020 31.382
107 HE ARG 52 HE ARG 52 19.248 29.102 31.670
108 HH11 ARG 52 1HH1 ARG 52 16.921 31.533 30.460
109 HH12 ARG 52 2HH1 ARG 52 18.041 32.857 30.691
110 HH21 ARG 52 2HH2 ARG 52 20.145 32.474 31.583
111 HH22 ARG 52 1HH2 ARG 52 20.601 30.849 32.033
112 H GLN 53 H GLN 53 14.211 30.195 29.461
113 HA GLN 53 HA GLN 53 13.285 30.723 26.738
114 HB2 GLN 53 2HB GLN 53 13.708 32.618 29.084
115 HB3 GLN 53 3HB GLN 53 13.006 33.059 27.524
116 HG2 GLN 53 2HG GLN 53 11.212 31.368 27.893
117 HG3 GLN 53 3HG GLN 53 11.842 31.097 29.527
118 HE21 GLN 53 2HE2 GLN 53 10.525 34.170 30.858
119 HE22 GLN 53 1HE2 GLN 53 11.616 32.829 31.131
120 H CYS 54 H CYS 54 14.907 30.421 25.336
121 HA CYS 54 HA CYS 54 16.951 32.443 25.091
122 HB2 CYS 54 2HB CYS 54 17.850 30.686 26.742
123 HB3 CYS 54 3HB CYS 54 17.877 29.555 25.393
124 H LYS 55 H LYS 55 18.405 31.753 23.160
125 HA LYS 55 HA LYS 55 16.826 31.283 20.823
126 HB2 LYS 55 2HB LYS 55 19.065 32.590 21.133
127 HB3 LYS 55 3HB LYS 55 19.846 31.025 21.140
128 HG2 LYS 55 2HG LYS 55 20.073 31.993 18.961
129 HG3 LYS 55 3HG LYS 55 19.037 30.596 18.836
130 HD2 LYS 55 2HD LYS 55 18.060 32.207 17.436
131 HD3 LYS 55 3HD LYS 55 17.026 32.251 18.852
132 HE2 LYS 55 2HE LYS 55 19.371 34.143 18.464
133 HE3 LYS 55 3HE LYS 55 17.789 34.465 17.746
134 HZ1 LYS 55 3HZ LYS 55 18.084 35.563 19.859
135 HZ2 LYS 55 1HZ LYS 55 18.239 34.120 20.632
136 HZ3 LYS 55 2HZ LYS 55 16.816 34.512 19.900
137 H GLU 56 H GLU 56 17.154 29.544 19.258
138 HA GLU 56 HA GLU 56 18.282 27.001 20.234
139 HB2 GLU 56 2HB GLU 56 15.949 26.763 20.728
140 HB3 GLU 56 3HB GLU 56 15.471 27.330 19.120
141 HG2 GLU 56 2HG GLU 56 16.536 25.335 18.082
142 HG3 GLU 56 3HG GLU 56 17.105 24.790 19.658
143 H LEU 57 H LEU 57 19.897 26.748 18.875
144 HA LEU 57 HA LEU 57 19.950 27.513 16.089
145 HB2 LEU 57 2HB LEU 57 21.702 25.818 17.936
146 HB3 LEU 57 3HB LEU 57 22.064 25.961 16.250
147 HG LEU 57 HG LEU 57 23.427 27.444 17.651
148 HD11 LEU 57 1HD1 LEU 57 23.242 29.495 16.355
149 HD12 LEU 57 2HD1 LEU 57 21.642 28.999 15.761
150 HD13 LEU 57 3HD1 LEU 57 23.099 28.061 15.316
151 HD21 LEU 57 3HD2 LEU 57 21.730 28.040 19.392
152 HD22 LEU 57 1HD2 LEU 57 20.991 29.170 18.221
153 HD23 LEU 57 2HD2 LEU 57 22.669 29.407 18.755
154 H GLN 58 H GLN 58 20.623 25.607 14.477
155 HA GLN 58 HA GLN 58 18.609 23.437 14.808
156 HB2 GLN 58 2HB GLN 58 18.101 23.577 12.505
157 HB3 GLN 58 3HB GLN 58 18.073 25.210 13.159
158 HG2 GLN 58 2HG GLN 58 20.401 25.565 12.250
159 HG3 GLN 58 3HG GLN 58 20.291 24.005 11.452
160 HE21 GLN 58 2HE2 GLN 58 19.083 27.068 9.341
161 HE22 GLN 58 1HE2 GLN 58 20.390 26.960 10.509
162 H ALA 59 H ALA 59 21.901 24.110 13.991
163 HA ALA 59 HA ALA 59 22.419 21.188 13.559
164 HB1 ALA 59 1HB ALA 59 23.964 23.574 12.489
165 HB2 ALA 59 2HB ALA 59 24.287 21.860 12.150
166 HB3 ALA 59 3HB ALA 59 22.787 22.603 11.573
167 H GLU 60 H GLU 60 23.225 23.984 15.560
168 HA GLU 60 HA GLU 60 25.416 22.524 16.904
169 HB2 GLU 60 2HB GLU 60 24.194 25.281 17.279
170 HB3 GLU 60 3HB GLU 60 25.495 24.647 18.266
171 HG2 GLU 60 2HG GLU 60 25.723 24.990 15.237
172 HG3 GLU 60 3HG GLU 60 26.164 26.231 16.397
173 H SER 61 H SER 61 21.965 23.100 17.185
174 HA SER 61 HA SER 61 21.777 22.124 19.942
175 HB2 SER 61 2HB SER 61 19.735 22.471 17.706
176 HB3 SER 61 3HB SER 61 19.329 21.979 19.356
177 HG SER 61 HG SER 61 19.213 24.334 18.788
178 H ALA 62 H ALA 62 21.976 20.744 16.686
179 HA ALA 62 HA ALA 62 21.048 18.089 17.373
180 HB1 ALA 62 1HB ALA 62 22.868 19.031 15.114
181 HB2 ALA 62 2HB ALA 62 22.021 17.474 15.204
182 HB3 ALA 62 3HB ALA 62 21.091 18.976 15.054
183 H SER 63 H SER 63 24.102 19.838 17.714
184 HA SER 63 HA SER 63 25.816 17.593 18.201
185 HB2 SER 63 2HB SER 63 26.463 19.983 17.553
186 HB3 SER 63 3HB SER 63 26.075 20.453 19.216
187 HG SER 63 HG SER 63 28.010 18.560 18.370
188 H CYS 64 H CYS 64 23.592 19.503 20.205
189 HA CYS 64 HA CYS 64 24.388 18.349 22.753
190 HB2 CYS 64 2HB CYS 64 21.979 19.953 21.812
191 HB3 CYS 64 3HB CYS 64 22.239 19.422 23.463
192 H GLY 65 H GLY 65 22.614 17.158 20.108
193 HA2 GLY 65 2HA GLY 65 21.881 14.908 19.932
194 HA3 GLY 65 3HA GLY 65 21.651 14.834 21.674
195 H LYS 66 H LYS 66 19.647 14.894 22.331
196 HA LYS 66 HA LYS 66 17.575 16.520 21.010
197 HB2 LYS 66 2HB LYS 66 15.981 14.665 21.177
198 HB3 LYS 66 3HB LYS 66 17.345 14.225 20.149
199 HG2 LYS 66 2HG LYS 66 18.328 12.933 22.060
200 HG3 LYS 66 3HG LYS 66 16.881 13.325 23.025
201 HD2 LYS 66 2HD LYS 66 15.459 12.195 21.366
202 HD3 LYS 66 3HD LYS 66 16.883 11.844 20.364
203 HE2 LYS 66 2HE LYS 66 17.860 10.509 22.235
204 HE3 LYS 66 3HE LYS 66 16.428 10.839 23.214
205 HZ1 LYS 66 3HZ LYS 66 16.279 8.697 22.117
206 HZ2 LYS 66 1HZ LYS 66 16.433 9.407 20.636
207 HZ3 LYS 66 2HZ LYS 66 15.109 9.707 21.561
208 H GLY 67 H GLY 67 15.817 17.119 22.379
209 HA2 GLY 67 2HA GLY 67 14.769 17.644 24.350
210 HA3 GLY 67 3HA GLY 67 15.864 16.582 25.235
211 H GLN 68 H GLN 68 17.922 18.531 23.516
212 HA GLN 68 HA GLN 68 17.875 20.840 25.370
213 HB2 GLN 68 2HB GLN 68 20.380 19.260 24.622
214 HB3 GLN 68 3HB GLN 68 20.336 20.758 25.530
215 HG2 GLN 68 2HG GLN 68 20.648 19.203 27.193
216 HG3 GLN 68 3HG GLN 68 18.920 19.524 27.279
217 HE21 GLN 68 2HE2 GLN 68 20.230 15.875 25.676
218 HE22 GLN 68 1HE2 GLN 68 21.193 17.306 25.454
219 H LYS 69 H LYS 69 19.464 22.545 24.528
220 HA LYS 69 HA LYS 69 19.916 22.575 21.636
221 HB2 LYS 69 2HB LYS 69 18.831 24.884 21.478
222 HB3 LYS 69 3HB LYS 69 17.785 23.480 21.535
223 HG2 LYS 69 2HG LYS 69 16.762 25.162 22.793
224 HG3 LYS 69 3HG LYS 69 17.285 23.912 23.923
225 HD2 LYS 69 2HD LYS 69 19.119 25.274 24.693
226 HD3 LYS 69 3HD LYS 69 18.761 26.536 23.499
227 HE2 LYS 69 2HE LYS 69 16.748 25.538 25.553
228 HE3 LYS 69 3HE LYS 69 17.873 26.840 25.908
229 HZ1 LYS 69 3HZ LYS 69 15.815 27.741 25.204
230 HZ2 LYS 69 1HZ LYS 69 15.799 26.842 23.827
231 HZ3 LYS 69 2HZ LYS 69 16.921 28.035 24.005
232 H CYS 70 H CYS 70 21.155 24.539 20.973
233 HA CYS 70 HA CYS 70 23.154 25.325 23.016
234 HB2 CYS 70 2HB CYS 70 23.934 24.948 20.708
235 HB3 CYS 70 3HB CYS 70 22.865 26.242 20.136
236 H CYS 71 H CYS 71 23.063 27.230 24.093
237 HA CYS 71 HA CYS 71 20.918 29.214 23.467
238 HB2 CYS 71 2HB CYS 71 20.315 28.046 25.472
239 HB3 CYS 71 3HB CYS 71 21.967 28.126 26.093
240 H VAL 72 H VAL 72 21.557 31.217 23.205
241 HA VAL 72 HA VAL 72 24.328 31.985 22.983
242 HB VAL 72 HB VAL 72 23.434 34.266 22.617
243 HG11 VAL 72 1HG1 VAL 72 23.678 32.676 20.736
244 HG12 VAL 72 2HG1 VAL 72 22.016 32.101 20.990
245 HG13 VAL 72 3HG1 VAL 72 22.317 33.784 20.489
246 HG21 VAL 72 3HG2 VAL 72 20.653 33.030 22.959
247 HG22 VAL 72 1HG2 VAL 72 21.401 34.210 24.064
248 HG23 VAL 72 2HG2 VAL 72 21.012 34.681 22.401
249 H TRP 73 H TRP 73 25.577 33.283 24.194
250 HA TRP 73 HA TRP 73 25.047 33.565 27.058
251 HB2 TRP 73 2HB TRP 73 27.343 34.635 26.963
252 HB3 TRP 73 3HB TRP 73 27.217 32.943 26.523
253 HD1 TRP 73 HD1 TRP 73 27.343 36.348 24.652
254 HE1 TRP 73 HE1 TRP 73 28.649 36.090 22.507
255 HE3 TRP 73 HE3 TRP 73 28.129 31.317 24.856
256 HZ2 TRP 73 HZ2 TRP 73 29.902 33.927 21.017
257 HZ3 TRP 73 HZ3 TRP 73 29.367 30.154 23.050
258 HH2 TRP 73 HH2 TRP 73 30.236 31.446 21.105
259 H LEU 74 H LEU 74 24.508 35.464 24.200
260 HA LEU 74 HA LEU 74 24.543 38.080 25.480
261 HB2 LEU 74 2HB LEU 74 23.255 37.104 22.896
262 HB3 LEU 74 3HB LEU 74 23.390 38.789 23.391
263 HG LEU 74 HG LEU 74 25.739 36.950 22.746
264 HD11 LEU 74 1HD1 LEU 74 25.987 38.448 20.773
265 HD12 LEU 74 2HD1 LEU 74 24.508 39.306 21.245
266 HD13 LEU 74 3HD1 LEU 74 24.431 37.591 20.772
267 HD21 LEU 74 3HD2 LEU 74 27.118 39.009 22.854
268 HD22 LEU 74 1HD2 LEU 74 26.415 38.632 24.431
269 HD23 LEU 74 2HD2 LEU 74 25.709 39.928 23.432
270 H HIS 75 H HIS 75 22.695 39.404 25.785
271 HA HIS 75 HA HIS 75 20.479 38.154 27.176
272 HB2 HIS 75 2HB HIS 75 21.029 41.032 26.334
273 HB3 HIS 75 3HB HIS 75 19.655 40.549 27.319
274 HD1 HIS 75 HD1 HIS 75 23.524 40.583 27.575
275 HD2 HIS 75 HD2 HIS 75 20.010 40.309 29.902
276 HE1 HIS 75 HE1 HIS 75 24.258 40.701 30.041
277 HE2 HIS 75 HE2 HIS 75 22.120 40.538 31.441
Start of MODEL 15
1 H1 LEU 37 H LEU 37 31.857 15.875 27.868
2 HA LEU 37 HA LEU 37 33.197 17.041 26.317
3 HB2 LEU 37 2HB LEU 37 33.998 15.039 25.108
4 HB3 LEU 37 3HB LEU 37 32.392 14.819 24.403
5 HG LEU 37 HG LEU 37 32.601 17.012 23.244
6 HD11 LEU 37 1HD1 LEU 37 34.815 18.149 23.146
7 HD12 LEU 37 2HD1 LEU 37 35.426 17.057 24.406
8 HD13 LEU 37 3HD1 LEU 37 34.128 18.215 24.770
9 HD21 LEU 37 3HD2 LEU 37 34.275 16.326 21.602
10 HD22 LEU 37 1HD2 LEU 37 33.293 14.947 22.120
11 HD23 LEU 37 2HD2 LEU 37 34.946 15.143 22.748
12 H THR 38 H THR 38 32.165 18.793 25.738
13 HA THR 38 HA THR 38 29.278 18.935 25.756
14 HB THR 38 HB THR 38 30.743 20.615 26.777
15 HG1 THR 38 1HG THR 38 29.554 22.295 26.171
16 HG21 THR 38 1HG2 THR 38 31.546 21.376 23.933
17 HG22 THR 38 2HG2 THR 38 32.619 20.715 25.180
18 HG23 THR 38 3HG2 THR 38 31.897 22.319 25.392
19 H GLY 39 H GLY 39 28.030 19.938 24.101
20 HA2 GLY 39 2HA GLY 39 28.716 19.149 21.326
21 HA3 GLY 39 3HA GLY 39 27.128 19.596 21.937
22 H CYS 40 H CYS 40 29.287 21.857 23.175
23 HA CYS 40 HA CYS 40 28.609 23.856 21.071
24 HB2 CYS 40 2HB CYS 40 28.822 24.136 24.071
25 HB3 CYS 40 3HB CYS 40 28.355 25.401 22.938
26 H LYS 41 H LYS 41 29.988 25.964 21.619
27 HA LYS 41 HA LYS 41 32.711 25.327 21.000
28 HB2 LYS 41 2HB LYS 41 33.018 27.665 20.748
29 HB3 LYS 41 3HB LYS 41 31.413 27.277 20.132
30 HG2 LYS 41 2HG LYS 41 30.516 28.051 22.427
31 HG3 LYS 41 3HG LYS 41 32.133 28.685 22.730
32 HD2 LYS 41 2HD LYS 41 30.370 29.433 20.372
33 HD3 LYS 41 3HD LYS 41 30.533 30.380 21.865
34 HE2 LYS 41 2HE LYS 41 32.921 30.735 21.411
35 HE3 LYS 41 3HE LYS 41 32.805 29.737 19.940
36 HZ1 LYS 41 3HZ LYS 41 31.395 32.266 20.419
37 HZ2 LYS 41 1HZ LYS 41 31.256 31.317 19.068
38 HZ3 LYS 41 2HZ LYS 41 32.698 32.030 19.438
39 H GLY 42 H GLY 42 31.082 26.166 23.995
40 HA2 GLY 42 2HA GLY 42 31.757 25.747 26.154
41 HA3 GLY 42 3HA GLY 42 33.405 25.443 25.607
42 H LYS 43 H LYS 43 33.425 28.115 24.140
43 HA LYS 43 HA LYS 43 34.551 29.743 26.204
44 HB2 LYS 43 2HB LYS 43 33.828 30.189 23.289
45 HB3 LYS 43 3HB LYS 43 34.435 31.507 24.269
46 HG2 LYS 43 2HG LYS 43 35.935 28.883 23.885
47 HG3 LYS 43 3HG LYS 43 36.151 30.326 22.883
48 HD2 LYS 43 2HD LYS 43 36.697 31.630 24.971
49 HD3 LYS 43 3HD LYS 43 36.753 30.097 25.860
50 HE2 LYS 43 2HE LYS 43 38.444 30.754 23.407
51 HE3 LYS 43 3HE LYS 43 38.977 30.970 25.082
52 HZ1 LYS 43 3HZ LYS 43 39.725 28.907 24.133
53 HZ2 LYS 43 1HZ LYS 43 38.170 28.399 23.896
54 HZ3 LYS 43 2HZ LYS 43 38.741 28.632 25.423
55 H GLY 44 H GLY 44 31.293 29.677 24.819
56 HA2 GLY 44 2HA GLY 44 30.385 31.604 26.867
57 HA3 GLY 44 3HA GLY 44 30.202 32.106 25.188
58 H GLY 45 H GLY 45 29.628 29.308 24.253
59 HA2 GLY 45 2HA GLY 45 26.868 28.932 25.324
60 HA3 GLY 45 3HA GLY 45 27.443 28.419 23.737
61 H GLU 46 H GLU 46 26.355 26.995 26.246
62 HA GLU 46 HA GLU 46 28.283 24.729 26.245
63 HB2 GLU 46 2HB GLU 46 27.062 26.065 28.681
64 HB3 GLU 46 3HB GLU 46 27.739 24.446 28.700
65 HG2 GLU 46 2HG GLU 46 29.926 25.410 27.827
66 HG3 GLU 46 3HG GLU 46 29.242 27.015 28.066
67 H CYS 47 H CYS 47 27.299 22.742 27.103
68 HA CYS 47 HA CYS 47 24.778 22.299 25.755
69 HB2 CYS 47 2HB CYS 47 26.919 20.847 25.777
70 HB3 CYS 47 3HB CYS 47 26.355 20.257 27.338
71 H ASN 48 H ASN 48 22.901 22.683 26.728
72 HA ASN 48 HA ASN 48 22.602 22.406 29.685
73 HB2 ASN 48 2HB ASN 48 20.729 24.120 28.113
74 HB3 ASN 48 3HB ASN 48 21.311 24.330 29.745
75 HD21 ASN 48 2HD2 ASN 48 24.371 26.048 28.588
76 HD22 ASN 48 1HD2 ASN 48 23.891 24.858 29.780
77 HA PRO 49 HA PRO 49 19.098 19.698 28.757
78 HB2 PRO 49 3HB PRO 49 18.863 19.355 31.032
79 HB3 PRO 49 2HB PRO 49 17.325 20.239 30.768
80 HG2 PRO 49 2HG PRO 49 18.328 22.312 31.461
81 HG3 PRO 49 3HG PRO 49 19.089 21.146 32.599
82 HD2 PRO 49 2HD PRO 49 20.568 22.763 31.028
83 HD3 PRO 49 3HD PRO 49 21.082 21.073 31.327
84 H LEU 50 H LEU 50 16.981 19.743 27.943
85 HA LEU 50 HA LEU 50 16.246 21.986 26.316
86 HB2 LEU 50 2HB LEU 50 14.638 19.578 27.240
87 HB3 LEU 50 3HB LEU 50 14.200 20.606 25.884
88 HG LEU 50 HG LEU 50 16.839 19.061 25.924
89 HD11 LEU 50 1HD1 LEU 50 15.674 17.289 24.703
90 HD12 LEU 50 2HD1 LEU 50 14.129 18.159 24.890
91 HD13 LEU 50 3HD1 LEU 50 14.982 17.531 26.322
92 HD21 LEU 50 3HD2 LEU 50 15.156 20.089 23.615
93 HD22 LEU 50 1HD2 LEU 50 16.742 19.283 23.533
94 HD23 LEU 50 2HD2 LEU 50 16.602 20.883 24.286
95 H ASP 51 H ASP 51 15.264 20.926 29.497
96 HA ASP 51 HA ASP 51 12.967 22.431 29.987
97 HB2 ASP 51 2HB ASP 51 15.231 21.856 31.954
98 HB3 ASP 51 3HB ASP 51 13.564 22.250 32.376
99 H ARG 52 H ARG 52 16.324 23.585 29.855
100 HA ARG 52 HA ARG 52 15.805 26.124 31.139
101 HB2 ARG 52 2HB ARG 52 18.047 24.883 31.115
102 HB3 ARG 52 3HB ARG 52 18.158 25.273 29.403
103 HG2 ARG 52 2HG ARG 52 19.451 26.816 30.699
104 HG3 ARG 52 3HG ARG 52 18.068 27.722 30.046
105 HD2 ARG 52 2HD ARG 52 16.999 27.781 32.185
106 HD3 ARG 52 3HD ARG 52 18.028 26.485 32.829
107 HE ARG 52 HE ARG 52 19.829 28.370 32.147
108 HH11 ARG 52 1HH1 ARG 52 16.997 28.478 34.298
109 HH12 ARG 52 2HH1 ARG 52 17.689 29.732 35.301
110 HH21 ARG 52 2HH2 ARG 52 19.747 30.563 34.861
111 HH22 ARG 52 1HH2 ARG 52 20.651 30.034 33.458
112 H GLN 53 H GLN 53 15.259 28.014 30.179
113 HA GLN 53 HA GLN 53 14.610 28.015 27.288
114 HB2 GLN 53 2HB GLN 53 13.631 29.773 29.565
115 HB3 GLN 53 3HB GLN 53 13.206 29.982 27.866
116 HG2 GLN 53 2HG GLN 53 12.198 27.705 27.823
117 HG3 GLN 53 3HG GLN 53 12.596 27.490 29.529
118 HE21 GLN 53 2HE2 GLN 53 9.818 29.336 30.713
119 HE22 GLN 53 1HE2 GLN 53 11.268 28.437 31.113
120 H CYS 54 H CYS 54 16.263 28.684 26.104
121 HA CYS 54 HA CYS 54 17.214 31.444 26.415
122 HB2 CYS 54 2HB CYS 54 18.966 30.362 27.604
123 HB3 CYS 54 3HB CYS 54 19.041 29.031 26.457
124 H LYS 55 H LYS 55 18.352 28.659 24.480
125 HA LYS 55 HA LYS 55 16.882 29.434 22.106
126 HB2 LYS 55 2HB LYS 55 19.056 30.857 22.221
127 HB3 LYS 55 3HB LYS 55 19.929 29.346 22.000
128 HG2 LYS 55 2HG LYS 55 19.794 30.412 19.886
129 HG3 LYS 55 3HG LYS 55 18.688 29.052 19.790
130 HD2 LYS 55 2HD LYS 55 16.777 30.623 20.266
131 HD3 LYS 55 3HD LYS 55 17.922 31.973 20.260
132 HE2 LYS 55 2HE LYS 55 17.444 30.058 17.927
133 HE3 LYS 55 3HE LYS 55 16.648 31.630 18.117
134 HZ1 LYS 55 3HZ LYS 55 18.512 31.781 16.684
135 HZ2 LYS 55 1HZ LYS 55 19.540 31.205 17.841
136 HZ3 LYS 55 2HZ LYS 55 18.800 32.664 18.051
137 H GLU 56 H GLU 56 17.196 27.759 20.408
138 HA GLU 56 HA GLU 56 18.464 25.232 21.251
139 HB2 GLU 56 2HB GLU 56 16.119 25.149 22.035
140 HB3 GLU 56 3HB GLU 56 15.540 25.421 20.380
141 HG2 GLU 56 2HG GLU 56 16.524 23.309 19.638
142 HG3 GLU 56 3HG GLU 56 17.343 23.091 21.195
143 H LEU 57 H LEU 57 20.001 25.430 19.751
144 HA LEU 57 HA LEU 57 19.714 26.165 16.992
145 HB2 LEU 57 2HB LEU 57 21.807 24.704 18.641
146 HB3 LEU 57 3HB LEU 57 21.989 24.906 16.910
147 HG LEU 57 HG LEU 57 23.291 26.540 18.050
148 HD11 LEU 57 1HD1 LEU 57 22.639 28.537 16.915
149 HD12 LEU 57 2HD1 LEU 57 20.955 27.989 16.758
150 HD13 LEU 57 3HD1 LEU 57 22.263 27.147 15.884
151 HD21 LEU 57 3HD2 LEU 57 21.970 26.765 20.141
152 HD22 LEU 57 1HD2 LEU 57 20.781 27.762 19.262
153 HD23 LEU 57 2HD2 LEU 57 22.451 28.322 19.448
154 H GLN 58 H GLN 58 20.467 24.560 15.239
155 HA GLN 58 HA GLN 58 18.795 22.122 15.439
156 HB2 GLN 58 2HB GLN 58 18.611 22.227 13.004
157 HB3 GLN 58 3HB GLN 58 17.964 23.659 13.810
158 HG2 GLN 58 2HG GLN 58 20.020 24.928 13.210
159 HG3 GLN 58 3HG GLN 58 20.633 23.495 12.356
160 HE21 GLN 58 2HE2 GLN 58 18.997 24.476 9.406
161 HE22 GLN 58 1HE2 GLN 58 20.307 23.604 10.168
162 H ALA 59 H ALA 59 21.955 23.275 14.233
163 HA ALA 59 HA ALA 59 22.884 20.503 13.824
164 HB1 ALA 59 1HB ALA 59 23.483 22.298 12.236
165 HB2 ALA 59 2HB ALA 59 24.351 23.150 13.536
166 HB3 ALA 59 3HB ALA 59 24.902 21.550 12.991
167 H GLU 60 H GLU 60 23.333 23.190 16.150
168 HA GLU 60 HA GLU 60 25.561 21.851 17.472
169 HB2 GLU 60 2HB GLU 60 25.286 24.337 17.078
170 HB3 GLU 60 3HB GLU 60 24.107 24.335 18.399
171 HG2 GLU 60 2HG GLU 60 25.813 23.537 19.964
172 HG3 GLU 60 3HG GLU 60 26.956 23.301 18.634
173 H SER 61 H SER 61 22.049 22.146 18.037
174 HA SER 61 HA SER 61 22.132 20.953 20.686
175 HB2 SER 61 2HB SER 61 19.883 21.212 18.660
176 HB3 SER 61 3HB SER 61 19.702 20.653 20.331
177 HG SER 61 HG SER 61 19.310 22.948 19.861
178 H ALA 62 H ALA 62 22.143 19.778 17.338
179 HA ALA 62 HA ALA 62 21.589 17.011 18.034
180 HB1 ALA 62 1HB ALA 62 22.760 18.258 15.512
181 HB2 ALA 62 2HB ALA 62 22.224 16.576 15.691
182 HB3 ALA 62 3HB ALA 62 21.045 17.893 15.800
183 H SER 63 H SER 63 24.462 19.073 17.880
184 HA SER 63 HA SER 63 26.416 16.935 18.064
185 HB2 SER 63 2HB SER 63 26.914 19.232 17.221
186 HB3 SER 63 3HB SER 63 26.628 19.865 18.854
187 HG SER 63 HG SER 63 28.827 19.449 18.468
188 H CYS 64 H CYS 64 24.571 18.936 20.374
189 HA CYS 64 HA CYS 64 25.596 17.774 22.824
190 HB2 CYS 64 2HB CYS 64 23.333 19.513 21.935
191 HB3 CYS 64 3HB CYS 64 23.093 18.621 23.425
192 H GLY 65 H GLY 65 23.457 16.601 20.339
193 HA2 GLY 65 2HA GLY 65 22.586 14.490 20.079
194 HA3 GLY 65 3HA GLY 65 22.951 14.100 21.758
195 H LYS 66 H LYS 66 20.604 13.294 20.695
196 HA LYS 66 HA LYS 66 18.374 15.020 21.175
197 HB2 LYS 66 2HB LYS 66 17.073 12.901 21.143
198 HB3 LYS 66 3HB LYS 66 18.002 13.253 19.696
199 HG2 LYS 66 2HG LYS 66 19.625 11.576 20.137
200 HG3 LYS 66 3HG LYS 66 19.091 11.336 21.793
201 HD2 LYS 66 2HD LYS 66 17.432 10.698 19.323
202 HD3 LYS 66 3HD LYS 66 18.390 9.524 20.232
203 HE2 LYS 66 2HE LYS 66 16.049 11.130 21.351
204 HE3 LYS 66 3HE LYS 66 15.975 9.443 20.806
205 HZ1 LYS 66 3HZ LYS 66 17.515 8.865 22.497
206 HZ2 LYS 66 1HZ LYS 66 16.206 9.640 23.152
207 HZ3 LYS 66 2HZ LYS 66 17.647 10.433 23.000
208 H GLY 67 H GLY 67 17.823 15.840 23.033
209 HA2 GLY 67 2HA GLY 67 16.743 15.233 25.206
210 HA3 GLY 67 3HA GLY 67 18.206 14.328 25.592
211 H GLN 68 H GLN 68 19.607 16.759 24.029
212 HA GLN 68 HA GLN 68 19.520 18.801 26.187
213 HB2 GLN 68 2HB GLN 68 21.996 17.536 24.954
214 HB3 GLN 68 3HB GLN 68 22.012 18.942 26.012
215 HG2 GLN 68 2HG GLN 68 21.046 16.171 26.843
216 HG3 GLN 68 3HG GLN 68 22.668 16.804 27.092
217 HE21 GLN 68 2HE2 GLN 68 19.829 17.683 29.798
218 HE22 GLN 68 1HE2 GLN 68 19.525 16.592 28.458
219 H LYS 69 H LYS 69 20.756 20.792 25.398
220 HA LYS 69 HA LYS 69 20.753 21.263 22.506
221 HB2 LYS 69 2HB LYS 69 19.245 23.220 22.671
222 HB3 LYS 69 3HB LYS 69 18.450 21.707 23.027
223 HG2 LYS 69 2HG LYS 69 17.597 23.310 24.496
224 HG3 LYS 69 3HG LYS 69 18.586 22.230 25.487
225 HD2 LYS 69 2HD LYS 69 20.312 23.920 25.690
226 HD3 LYS 69 3HD LYS 69 19.601 24.873 24.374
227 HE2 LYS 69 2HE LYS 69 17.563 25.234 25.839
228 HE3 LYS 69 3HE LYS 69 18.424 24.397 27.141
229 HZ1 LYS 69 3HZ LYS 69 19.301 26.840 25.781
230 HZ2 LYS 69 1HZ LYS 69 20.132 26.081 26.986
231 HZ3 LYS 69 2HZ LYS 69 18.665 26.764 27.302
232 H CYS 70 H CYS 70 21.273 23.791 22.211
233 HA CYS 70 HA CYS 70 23.408 24.544 24.170
234 HB2 CYS 70 2HB CYS 70 24.126 23.650 21.843
235 HB3 CYS 70 3HB CYS 70 23.535 25.202 21.230
236 H CYS 71 H CYS 71 23.481 26.658 24.775
237 HA CYS 71 HA CYS 71 21.302 28.512 23.955
238 HB2 CYS 71 2HB CYS 71 21.439 28.011 26.291
239 HB3 CYS 71 3HB CYS 71 23.172 28.302 26.329
240 H VAL 72 H VAL 72 21.836 30.711 23.467
241 HA VAL 72 HA VAL 72 24.148 31.239 21.858
242 HB VAL 72 HB VAL 72 23.430 33.607 22.028
243 HG11 VAL 72 1HG1 VAL 72 21.194 31.669 21.324
244 HG12 VAL 72 2HG1 VAL 72 21.366 33.338 20.749
245 HG13 VAL 72 3HG1 VAL 72 22.544 32.107 20.269
246 HG21 VAL 72 3HG2 VAL 72 21.416 34.296 23.095
247 HG22 VAL 72 1HG2 VAL 72 20.990 32.650 23.562
248 HG23 VAL 72 2HG2 VAL 72 22.357 33.467 24.339
249 H TRP 73 H TRP 73 25.972 32.308 22.197
250 HA TRP 73 HA TRP 73 27.115 32.441 24.861
251 HB2 TRP 73 2HB TRP 73 29.045 33.427 23.549
252 HB3 TRP 73 3HB TRP 73 28.554 31.801 23.120
253 HD1 TRP 73 HD1 TRP 73 27.938 35.379 21.807
254 HE1 TRP 73 HE1 TRP 73 27.867 35.344 19.253
255 HE3 TRP 73 HE3 TRP 73 28.084 30.328 21.104
256 HZ2 TRP 73 HZ2 TRP 73 27.882 33.348 17.154
257 HZ3 TRP 73 HZ3 TRP 73 27.966 29.378 18.823
258 HH2 TRP 73 HH2 TRP 73 27.872 30.870 16.840
259 H LEU 74 H LEU 74 25.181 34.586 22.984
260 HA LEU 74 HA LEU 74 26.151 37.061 24.180
261 HB2 LEU 74 2HB LEU 74 25.257 36.776 21.855
262 HB3 LEU 74 3HB LEU 74 23.651 36.515 22.521
263 HG LEU 74 HG LEU 74 25.258 39.029 23.155
264 HD11 LEU 74 1HD1 LEU 74 24.184 40.141 21.229
265 HD12 LEU 74 2HD1 LEU 74 23.452 38.604 20.737
266 HD13 LEU 74 3HD1 LEU 74 25.215 38.811 20.705
267 HD21 LEU 74 3HD2 LEU 74 22.250 38.533 22.988
268 HD22 LEU 74 1HD2 LEU 74 23.026 40.081 23.371
269 HD23 LEU 74 2HD2 LEU 74 23.170 38.735 24.485
270 H HIS 75 H HIS 75 25.537 37.817 26.084
271 HA HIS 75 HA HIS 75 22.956 36.991 27.310
272 HB2 HIS 75 2HB HIS 75 23.932 36.979 29.475
273 HB3 HIS 75 3HB HIS 75 24.856 35.887 28.454
274 HD1 HIS 75 HD1 HIS 75 25.285 38.876 30.668
275 HD2 HIS 75 HD2 HIS 75 27.337 36.899 27.562
276 HE1 HIS 75 HE1 HIS 75 27.718 39.741 30.719
277 HE2 HIS 75 HE2 HIS 75 28.950 38.524 28.820
Start of MODEL 16
1 H1 LEU 37 H LEU 37 26.019 25.255 10.729
2 HA LEU 37 HA LEU 37 25.121 28.037 10.648
3 HB2 LEU 37 2HB LEU 37 23.427 26.090 10.409
4 HB3 LEU 37 3HB LEU 37 23.697 25.814 12.134
5 HG LEU 37 HG LEU 37 22.794 28.450 10.864
6 HD11 LEU 37 1HD1 LEU 37 21.159 26.278 12.246
7 HD12 LEU 37 2HD1 LEU 37 21.161 26.657 10.503
8 HD13 LEU 37 3HD1 LEU 37 20.544 27.845 11.663
9 HD21 LEU 37 3HD2 LEU 37 23.644 29.020 13.039
10 HD22 LEU 37 1HD2 LEU 37 22.949 27.548 13.777
11 HD23 LEU 37 2HD2 LEU 37 21.907 28.887 13.233
12 H THR 38 H THR 38 25.725 29.233 12.280
13 HA THR 38 HA THR 38 27.695 28.322 14.204
14 HB THR 38 HB THR 38 27.427 30.709 15.089
15 HG1 THR 38 1HG THR 38 26.435 32.140 13.637
16 HG21 THR 38 1HG2 THR 38 28.217 30.323 12.177
17 HG22 THR 38 2HG2 THR 38 29.234 29.981 13.597
18 HG23 THR 38 3HG2 THR 38 28.733 31.649 13.249
19 H GLY 39 H GLY 39 27.156 27.135 15.830
20 HA2 GLY 39 2HA GLY 39 24.646 27.636 17.396
21 HA3 GLY 39 3HA GLY 39 25.227 26.017 16.971
22 H CYS 40 H CYS 40 27.222 25.301 17.923
23 HA CYS 40 HA CYS 40 28.231 26.791 20.269
24 HB2 CYS 40 2HB CYS 40 27.343 23.894 20.451
25 HB3 CYS 40 3HB CYS 40 27.992 24.890 21.739
26 H LYS 41 H LYS 41 30.005 25.141 21.317
27 HA LYS 41 HA LYS 41 31.898 24.408 19.122
28 HB2 LYS 41 2HB LYS 41 32.400 25.485 21.924
29 HB3 LYS 41 3HB LYS 41 33.657 24.866 20.859
30 HG2 LYS 41 2HG LYS 41 31.891 27.277 20.236
31 HG3 LYS 41 3HG LYS 41 33.531 27.323 20.896
32 HD2 LYS 41 2HD LYS 41 34.314 26.068 18.824
33 HD3 LYS 41 3HD LYS 41 32.683 26.294 18.162
34 HE2 LYS 41 2HE LYS 41 34.002 28.022 17.244
35 HE3 LYS 41 3HE LYS 41 32.975 28.784 18.467
36 HZ1 LYS 41 3HZ LYS 41 35.788 28.012 18.848
37 HZ2 LYS 41 1HZ LYS 41 34.835 28.772 19.959
38 HZ3 LYS 41 2HZ LYS 41 35.242 29.538 18.558
39 H GLY 42 H GLY 42 30.788 23.523 22.422
40 HA2 GLY 42 2HA GLY 42 30.312 20.947 22.398
41 HA3 GLY 42 3HA GLY 42 32.075 20.859 22.217
42 H LYS 43 H LYS 43 33.279 22.377 23.794
43 HA LYS 43 HA LYS 43 32.536 21.649 26.533
44 HB2 LYS 43 2HB LYS 43 34.887 23.183 25.361
45 HB3 LYS 43 3HB LYS 43 34.724 22.750 27.060
46 HG2 LYS 43 2HG LYS 43 34.988 20.775 24.740
47 HG3 LYS 43 3HG LYS 43 36.234 21.233 25.901
48 HD2 LYS 43 2HD LYS 43 34.585 20.379 27.731
49 HD3 LYS 43 3HD LYS 43 33.706 19.632 26.392
50 HE2 LYS 43 2HE LYS 43 35.151 17.962 27.274
51 HE3 LYS 43 3HE LYS 43 35.866 18.467 25.733
52 HZ1 LYS 43 3HZ LYS 43 37.485 18.285 27.519
53 HZ2 LYS 43 1HZ LYS 43 36.688 19.432 28.395
54 HZ3 LYS 43 2HZ LYS 43 37.396 19.838 26.968
55 H GLY 44 H GLY 44 32.650 24.636 24.586
56 HA2 GLY 44 2HA GLY 44 32.526 26.528 26.681
57 HA3 GLY 44 3HA GLY 44 32.055 26.782 25.002
58 H GLY 45 H GLY 45 30.076 24.420 25.568
59 HA2 GLY 45 2HA GLY 45 28.002 25.753 27.217
60 HA3 GLY 45 3HA GLY 45 27.601 25.169 25.590
61 H GLU 46 H GLU 46 26.057 23.939 27.182
62 HA GLU 46 HA GLU 46 27.199 21.235 27.599
63 HB2 GLU 46 2HB GLU 46 25.610 22.826 29.648
64 HB3 GLU 46 3HB GLU 46 25.827 21.080 29.703
65 HG2 GLU 46 2HG GLU 46 28.333 21.457 29.708
66 HG3 GLU 46 3HG GLU 46 28.002 23.174 29.964
67 H CYS 47 H CYS 47 25.649 19.589 27.754
68 HA CYS 47 HA CYS 47 23.356 19.838 26.028
69 HB2 CYS 47 2HB CYS 47 24.462 17.548 27.694
70 HB3 CYS 47 3HB CYS 47 23.124 17.414 26.552
71 H ASN 48 H ASN 48 21.877 21.144 26.908
72 HA ASN 48 HA ASN 48 20.970 20.903 29.710
73 HB2 ASN 48 2HB ASN 48 20.481 22.802 27.411
74 HB3 ASN 48 3HB ASN 48 19.353 22.770 28.760
75 HD21 ASN 48 2HD2 ASN 48 23.196 24.106 29.497
76 HD22 ASN 48 1HD2 ASN 48 22.938 22.997 28.153
77 HA PRO 49 HA PRO 49 17.383 18.424 28.680
78 HB2 PRO 49 3HB PRO 49 16.936 18.358 30.958
79 HB3 PRO 49 2HB PRO 49 15.496 19.307 30.461
80 HG2 PRO 49 2HG PRO 49 16.541 21.354 31.066
81 HG3 PRO 49 3HG PRO 49 17.197 20.268 32.338
82 HD2 PRO 49 2HD PRO 49 18.792 21.717 30.658
83 HD3 PRO 49 3HD PRO 49 19.270 20.103 31.260
84 H LEU 50 H LEU 50 15.392 18.560 27.535
85 HA LEU 50 HA LEU 50 15.140 20.762 25.743
86 HB2 LEU 50 2HB LEU 50 13.236 18.490 26.428
87 HB3 LEU 50 3HB LEU 50 13.079 19.536 25.014
88 HG LEU 50 HG LEU 50 15.594 17.875 25.501
89 HD11 LEU 50 1HD1 LEU 50 13.686 16.393 25.553
90 HD12 LEU 50 2HD1 LEU 50 14.603 16.169 24.041
91 HD13 LEU 50 3HD1 LEU 50 13.062 17.069 24.029
92 HD21 LEU 50 3HD2 LEU 50 15.598 19.813 23.821
93 HD22 LEU 50 1HD2 LEU 50 14.411 18.884 22.886
94 HD23 LEU 50 2HD2 LEU 50 16.042 18.224 23.184
95 H ASP 51 H ASP 51 13.430 19.904 28.675
96 HA ASP 51 HA ASP 51 11.364 21.849 28.673
97 HB2 ASP 51 2HB ASP 51 12.868 20.563 30.987
98 HB3 ASP 51 3HB ASP 51 11.371 21.487 31.144
99 H ARG 52 H ARG 52 14.782 22.437 28.985
100 HA ARG 52 HA ARG 52 14.718 24.794 30.619
101 HB2 ARG 52 2HB ARG 52 16.764 23.382 30.003
102 HB3 ARG 52 3HB ARG 52 16.692 24.118 28.399
103 HG2 ARG 52 2HG ARG 52 18.288 25.377 29.632
104 HG3 ARG 52 3HG ARG 52 16.851 26.386 29.536
105 HD2 ARG 52 2HD ARG 52 17.463 26.589 31.779
106 HD3 ARG 52 3HD ARG 52 16.223 25.372 31.870
107 HE ARG 52 HE ARG 52 19.138 24.670 31.738
108 HH11 ARG 52 1HH1 ARG 52 16.019 24.242 33.405
109 HH12 ARG 52 2HH1 ARG 52 16.715 23.132 34.565
110 HH21 ARG 52 2HH2 ARG 52 18.864 22.491 34.410
111 HH22 ARG 52 1HH2 ARG 52 19.934 23.217 33.233
112 H GLN 53 H GLN 53 14.232 26.841 30.145
113 HA GLN 53 HA GLN 53 13.151 27.658 27.564
114 HB2 GLN 53 2HB GLN 53 13.774 29.204 30.119
115 HB3 GLN 53 3HB GLN 53 12.949 29.872 28.701
116 HG2 GLN 53 2HG GLN 53 11.135 28.216 28.982
117 HG3 GLN 53 3HG GLN 53 11.916 27.608 30.454
118 HE21 GLN 53 2HE2 GLN 53 9.333 30.526 30.950
119 HE22 GLN 53 1HE2 GLN 53 9.286 29.262 29.725
120 H CYS 54 H CYS 54 15.160 26.978 26.432
121 HA CYS 54 HA CYS 54 16.890 29.294 25.949
122 HB2 CYS 54 2HB CYS 54 17.947 27.814 27.737
123 HB3 CYS 54 3HB CYS 54 18.115 26.566 26.497
124 H LYS 55 H LYS 55 18.437 28.639 24.078
125 HA LYS 55 HA LYS 55 16.791 28.092 21.819
126 HB2 LYS 55 2HB LYS 55 18.874 29.589 22.005
127 HB3 LYS 55 3HB LYS 55 19.837 28.112 21.840
128 HG2 LYS 55 2HG LYS 55 18.905 27.716 19.612
129 HG3 LYS 55 3HG LYS 55 17.714 29.009 19.850
130 HD2 LYS 55 2HD LYS 55 19.589 30.663 19.969
131 HD3 LYS 55 3HD LYS 55 20.738 29.356 19.608
132 HE2 LYS 55 2HE LYS 55 19.664 28.941 17.457
133 HE3 LYS 55 3HE LYS 55 18.359 30.084 17.844
134 HZ1 LYS 55 3HZ LYS 55 21.188 30.764 17.469
135 HZ2 LYS 55 1HZ LYS 55 20.007 31.824 17.918
136 HZ3 LYS 55 2HZ LYS 55 19.939 31.110 16.436
137 H GLU 56 H GLU 56 17.136 26.509 20.163
138 HA GLU 56 HA GLU 56 18.436 23.965 20.876
139 HB2 GLU 56 2HB GLU 56 16.086 23.754 21.567
140 HB3 GLU 56 3HB GLU 56 15.541 24.220 19.946
141 HG2 GLU 56 2HG GLU 56 16.642 22.229 18.987
142 HG3 GLU 56 3HG GLU 56 17.280 21.791 20.568
143 H LEU 57 H LEU 57 19.884 23.773 19.355
144 HA LEU 57 HA LEU 57 19.704 24.804 16.649
145 HB2 LEU 57 2HB LEU 57 21.682 23.179 18.279
146 HB3 LEU 57 3HB LEU 57 21.915 23.412 16.560
147 HG LEU 57 HG LEU 57 23.255 24.969 17.785
148 HD11 LEU 57 1HD1 LEU 57 22.351 25.639 15.564
149 HD12 LEU 57 2HD1 LEU 57 22.670 27.029 16.612
150 HD13 LEU 57 3HD1 LEU 57 21.011 26.486 16.371
151 HD21 LEU 57 3HD2 LEU 57 20.774 26.313 18.889
152 HD22 LEU 57 1HD2 LEU 57 22.467 26.771 19.143
153 HD23 LEU 57 2HD2 LEU 57 21.863 25.246 19.818
154 H GLN 58 H GLN 58 20.744 22.879 15.050
155 HA GLN 58 HA GLN 58 18.607 20.802 14.978
156 HB2 GLN 58 2HB GLN 58 18.444 21.140 12.580
157 HB3 GLN 58 3HB GLN 58 18.188 22.669 13.442
158 HG2 GLN 58 2HG GLN 58 20.496 23.362 12.909
159 HG3 GLN 58 3HG GLN 58 20.749 21.845 12.031
160 HE21 GLN 58 2HE2 GLN 58 19.017 22.893 9.105
161 HE22 GLN 58 1HE2 GLN 58 19.803 21.560 9.943
162 H ALA 59 H ALA 59 21.951 21.474 14.406
163 HA ALA 59 HA ALA 59 22.464 18.549 13.946
164 HB1 ALA 59 1HB ALA 59 24.108 20.939 12.992
165 HB2 ALA 59 2HB ALA 59 24.479 19.224 12.721
166 HB3 ALA 59 3HB ALA 59 23.036 19.950 11.980
167 H GLU 60 H GLU 60 23.196 21.398 15.836
168 HA GLU 60 HA GLU 60 25.361 20.093 17.334
169 HB2 GLU 60 2HB GLU 60 25.317 22.541 16.587
170 HB3 GLU 60 3HB GLU 60 24.029 22.792 17.754
171 HG2 GLU 60 2HG GLU 60 26.164 23.495 18.653
172 HG3 GLU 60 3HG GLU 60 25.539 22.149 19.598
173 H SER 61 H SER 61 21.867 20.695 17.619
174 HA SER 61 HA SER 61 21.636 19.979 20.406
175 HB2 SER 61 2HB SER 61 19.258 19.653 19.846
176 HB3 SER 61 3HB SER 61 19.866 21.191 19.206
177 HG SER 61 HG SER 61 18.719 20.202 17.601
178 H ALA 62 H ALA 62 21.705 18.194 17.308
179 HA ALA 62 HA ALA 62 21.063 15.614 18.373
180 HB1 ALA 62 1HB ALA 62 21.797 14.828 16.165
181 HB2 ALA 62 2HB ALA 62 20.739 16.245 16.016
182 HB3 ALA 62 3HB ALA 62 22.498 16.422 15.808
183 H SER 63 H SER 63 24.042 17.472 18.385
184 HA SER 63 HA SER 63 25.933 15.345 18.616
185 HB2 SER 63 2HB SER 63 26.395 17.795 18.148
186 HB3 SER 63 3HB SER 63 26.079 18.117 19.865
187 HG SER 63 HG SER 63 28.286 17.787 19.388
188 H CYS 64 H CYS 64 23.802 16.962 20.964
189 HA CYS 64 HA CYS 64 24.850 15.627 23.329
190 HB2 CYS 64 2HB CYS 64 22.380 17.281 22.694
191 HB3 CYS 64 3HB CYS 64 22.716 16.597 24.284
192 H GLY 65 H GLY 65 22.799 14.601 20.797
193 HA2 GLY 65 2HA GLY 65 21.909 12.459 20.509
194 HA3 GLY 65 3HA GLY 65 22.003 12.162 22.248
195 H LYS 66 H LYS 66 19.768 11.337 21.166
196 HA LYS 66 HA LYS 66 17.660 13.326 20.914
197 HB2 LYS 66 2HB LYS 66 17.772 10.291 20.809
198 HB3 LYS 66 3HB LYS 66 16.251 11.158 20.949
199 HG2 LYS 66 2HG LYS 66 16.368 10.848 18.714
200 HG3 LYS 66 3HG LYS 66 16.931 12.499 18.856
201 HD2 LYS 66 2HD LYS 66 18.833 10.114 18.617
202 HD3 LYS 66 3HD LYS 66 18.078 10.879 17.215
203 HE2 LYS 66 2HE LYS 66 19.092 13.057 17.867
204 HE3 LYS 66 3HE LYS 66 20.002 12.206 19.135
205 HZ1 LYS 66 3HZ LYS 66 20.151 11.675 16.258
206 HZ2 LYS 66 1HZ LYS 66 20.937 10.810 17.414
207 HZ3 LYS 66 2HZ LYS 66 21.311 12.395 17.189
208 H GLY 67 H GLY 67 17.195 14.410 22.712
209 HA2 GLY 67 2HA GLY 67 15.573 13.957 24.683
210 HA3 GLY 67 3HA GLY 67 16.933 13.052 25.347
211 H GLN 68 H GLN 68 18.547 15.387 23.768
212 HA GLN 68 HA GLN 68 18.237 17.576 25.723
213 HB2 GLN 68 2HB GLN 68 20.812 16.047 25.109
214 HB3 GLN 68 3HB GLN 68 20.781 17.571 25.998
215 HG2 GLN 68 2HG GLN 68 19.400 16.551 27.750
216 HG3 GLN 68 3HG GLN 68 19.526 14.970 26.937
217 HE21 GLN 68 2HE2 GLN 68 23.069 14.649 27.673
218 HE22 GLN 68 1HE2 GLN 68 21.988 14.455 26.296
219 H LYS 69 H LYS 69 19.748 19.412 25.083
220 HA LYS 69 HA LYS 69 20.389 19.608 22.233
221 HB2 LYS 69 2HB LYS 69 19.131 21.788 22.044
222 HB3 LYS 69 3HB LYS 69 18.183 20.315 22.069
223 HG2 LYS 69 2HG LYS 69 17.041 22.000 23.295
224 HG3 LYS 69 3HG LYS 69 17.509 20.690 24.382
225 HD2 LYS 69 2HD LYS 69 19.245 21.999 25.372
226 HD3 LYS 69 3HD LYS 69 19.033 23.316 24.196
227 HE2 LYS 69 2HE LYS 69 16.783 22.320 25.994
228 HE3 LYS 69 3HE LYS 69 17.950 23.520 26.543
229 HZ1 LYS 69 3HZ LYS 69 16.031 24.589 25.688
230 HZ2 LYS 69 1HZ LYS 69 16.105 23.767 24.273
231 HZ3 LYS 69 2HZ LYS 69 17.269 24.875 24.625
232 H CYS 70 H CYS 70 21.394 21.866 21.785
233 HA CYS 70 HA CYS 70 23.257 22.504 24.015
234 HB2 CYS 70 2HB CYS 70 24.244 22.066 21.767
235 HB3 CYS 70 3HB CYS 70 23.431 23.529 21.168
236 H CYS 71 H CYS 71 22.666 24.070 25.337
237 HA CYS 71 HA CYS 71 20.916 26.310 24.517
238 HB2 CYS 71 2HB CYS 71 20.510 25.265 26.668
239 HB3 CYS 71 3HB CYS 71 22.201 25.444 27.126
240 H VAL 72 H VAL 72 21.658 28.389 24.266
241 HA VAL 72 HA VAL 72 24.448 28.891 23.711
242 HB VAL 72 HB VAL 72 23.705 31.216 23.322
243 HG11 VAL 72 1HG1 VAL 72 21.860 29.178 22.025
244 HG12 VAL 72 2HG1 VAL 72 22.238 30.801 21.417
245 HG13 VAL 72 3HG1 VAL 72 23.510 29.571 21.509
246 HG21 VAL 72 3HG2 VAL 72 20.903 30.307 24.120
247 HG22 VAL 72 1HG2 VAL 72 21.956 31.387 25.065
248 HG23 VAL 72 2HG2 VAL 72 21.373 31.888 23.475
249 H TRP 73 H TRP 73 25.416 30.967 24.607
250 HA TRP 73 HA TRP 73 25.353 30.980 27.589
251 HB2 TRP 73 2HB TRP 73 27.847 31.417 27.300
252 HB3 TRP 73 3HB TRP 73 27.265 29.801 26.947
253 HD1 TRP 73 HD1 TRP 73 28.002 32.982 24.865
254 HE1 TRP 73 HE1 TRP 73 29.092 32.316 22.672
255 HE3 TRP 73 HE3 TRP 73 27.679 27.933 25.366
256 HZ2 TRP 73 HZ2 TRP 73 29.901 29.851 21.346
257 HZ3 TRP 73 HZ3 TRP 73 28.642 26.424 23.617
258 HH2 TRP 73 HH2 TRP 73 29.814 27.398 21.654
259 H LEU 74 H LEU 74 25.223 32.880 24.697
260 HA LEU 74 HA LEU 74 25.037 35.387 26.294
261 HB2 LEU 74 2HB LEU 74 26.594 34.873 23.736
262 HB3 LEU 74 3HB LEU 74 26.020 36.485 24.159
263 HG LEU 74 HG LEU 74 27.787 34.879 26.048
264 HD11 LEU 74 1HD1 LEU 74 29.680 36.177 25.168
265 HD12 LEU 74 2HD1 LEU 74 28.630 36.905 23.926
266 HD13 LEU 74 3HD1 LEU 74 28.980 35.164 23.895
267 HD21 LEU 74 3HD2 LEU 74 28.308 37.125 26.952
268 HD22 LEU 74 1HD2 LEU 74 26.580 36.767 27.093
269 HD23 LEU 74 2HD2 LEU 74 27.157 37.861 25.814
270 H HIS 75 H HIS 75 22.955 35.845 26.224
271 HA HIS 75 HA HIS 75 21.455 35.706 23.660
272 HB2 HIS 75 2HB HIS 75 20.988 33.737 25.103
273 HB3 HIS 75 3HB HIS 75 20.484 34.814 26.400
274 HD1 HIS 75 HD1 HIS 75 19.205 35.964 23.040
275 HD2 HIS 75 HD2 HIS 75 18.122 33.308 26.136
276 HE1 HIS 75 HE1 HIS 75 16.746 35.368 22.667
277 HE2 HIS 75 HE2 HIS 75 16.091 33.751 24.569
Start of MODEL 17
1 H1 LEU 37 H LEU 37 36.815 27.141 23.712
2 HA LEU 37 HA LEU 37 36.291 25.369 25.127
3 HB2 LEU 37 2HB LEU 37 35.739 25.601 27.439
4 HB3 LEU 37 3HB LEU 37 37.291 26.348 27.142
5 HG LEU 37 HG LEU 37 35.727 28.572 26.936
6 HD11 LEU 37 1HD1 LEU 37 33.632 27.266 27.455
7 HD12 LEU 37 2HD1 LEU 37 33.969 28.546 28.629
8 HD13 LEU 37 3HD1 LEU 37 34.317 26.854 29.034
9 HD21 LEU 37 3HD2 LEU 37 36.705 27.351 29.548
10 HD22 LEU 37 1HD2 LEU 37 36.308 29.062 29.276
11 HD23 LEU 37 2HD2 LEU 37 37.665 28.323 28.413
12 H THR 38 H THR 38 34.797 28.476 24.453
13 HA THR 38 HA THR 38 32.302 27.109 23.723
14 HB THR 38 HB THR 38 31.973 27.811 26.069
15 HG1 THR 38 1HG THR 38 30.100 28.981 25.686
16 HG21 THR 38 1HG2 THR 38 33.484 29.753 26.228
17 HG22 THR 38 2HG2 THR 38 31.832 30.185 26.679
18 HG23 THR 38 3HG2 THR 38 32.468 30.657 25.092
19 H GLY 39 H GLY 39 30.830 28.648 22.571
20 HA2 GLY 39 2HA GLY 39 30.956 30.957 21.411
21 HA3 GLY 39 3HA GLY 39 32.358 30.253 20.590
22 H CYS 40 H CYS 40 28.949 30.573 20.580
23 HA CYS 40 HA CYS 40 28.029 28.251 19.286
24 HB2 CYS 40 2HB CYS 40 26.920 30.491 20.281
25 HB3 CYS 40 3HB CYS 40 26.923 30.956 18.594
26 H LYS 41 H LYS 41 29.861 30.925 18.071
27 HA LYS 41 HA LYS 41 29.379 30.891 15.312
28 HB2 LYS 41 2HB LYS 41 31.472 32.009 15.065
29 HB3 LYS 41 3HB LYS 41 30.670 32.595 16.519
30 HG2 LYS 41 2HG LYS 41 32.188 31.136 17.905
31 HG3 LYS 41 3HG LYS 41 32.982 30.595 16.417
32 HD2 LYS 41 2HD LYS 41 33.587 32.984 15.918
33 HD3 LYS 41 3HD LYS 41 32.926 33.426 17.515
34 HE2 LYS 41 2HE LYS 41 34.497 31.767 18.551
35 HE3 LYS 41 3HE LYS 41 35.197 31.473 16.949
36 HZ1 LYS 41 3HZ LYS 41 35.816 33.805 16.874
37 HZ2 LYS 41 1HZ LYS 41 36.482 33.060 18.181
38 HZ3 LYS 41 2HZ LYS 41 35.177 34.054 18.374
39 H GLY 42 H GLY 42 31.267 28.565 17.144
40 HA2 GLY 42 2HA GLY 42 31.243 26.495 15.326
41 HA3 GLY 42 3HA GLY 42 32.645 27.435 14.827
42 H LYS 43 H LYS 43 32.700 27.941 18.080
43 HA LYS 43 HA LYS 43 34.689 25.887 18.644
44 HB2 LYS 43 2HB LYS 43 33.594 28.344 19.952
45 HB3 LYS 43 3HB LYS 43 34.071 27.071 21.053
46 HG2 LYS 43 2HG LYS 43 35.888 28.556 20.822
47 HG3 LYS 43 3HG LYS 43 36.345 27.024 20.099
48 HD2 LYS 43 2HD LYS 43 35.327 29.336 18.402
49 HD3 LYS 43 3HD LYS 43 37.006 29.245 18.946
50 HE2 LYS 43 2HE LYS 43 37.221 26.982 17.906
51 HE3 LYS 43 3HE LYS 43 35.593 27.157 17.240
52 HZ1 LYS 43 3HZ LYS 43 37.869 28.937 16.672
53 HZ2 LYS 43 1HZ LYS 43 36.350 29.092 16.054
54 HZ3 LYS 43 2HZ LYS 43 37.263 27.787 15.657
55 H GLY 44 H GLY 44 31.235 26.075 18.976
56 HA2 GLY 44 2HA GLY 44 30.255 23.796 19.289
57 HA3 GLY 44 3HA GLY 44 31.169 23.700 20.790
58 H GLY 45 H GLY 45 30.717 26.563 21.465
59 HA2 GLY 45 2HA GLY 45 29.166 27.980 22.422
60 HA3 GLY 45 3HA GLY 45 27.857 27.001 21.763
61 H GLU 46 H GLU 46 27.488 27.999 24.217
62 HA GLU 46 HA GLU 46 28.219 26.175 26.360
63 HB2 GLU 46 2HB GLU 46 26.090 28.355 26.130
64 HB3 GLU 46 3HB GLU 46 26.387 27.398 27.590
65 HG2 GLU 46 2HG GLU 46 28.765 28.151 27.582
66 HG3 GLU 46 3HG GLU 46 28.378 29.232 26.234
67 H CYS 47 H CYS 47 26.802 24.815 27.492
68 HA CYS 47 HA CYS 47 24.689 23.555 25.816
69 HB2 CYS 47 2HB CYS 47 26.411 22.303 27.975
70 HB3 CYS 47 3HB CYS 47 25.224 21.488 26.959
71 H ASN 48 H ASN 48 22.847 24.291 26.376
72 HA ASN 48 HA ASN 48 22.018 24.512 29.208
73 HB2 ASN 48 2HB ASN 48 20.735 26.589 28.455
74 HB3 ASN 48 3HB ASN 48 22.488 26.744 28.531
75 HD21 ASN 48 2HD2 ASN 48 22.967 27.196 25.054
76 HD22 ASN 48 1HD2 ASN 48 23.722 26.763 26.581
77 HA PRO 49 HA PRO 49 18.535 22.139 27.881
78 HB2 PRO 49 3HB PRO 49 17.776 22.159 30.066
79 HB3 PRO 49 2HB PRO 49 16.423 23.079 29.340
80 HG2 PRO 49 2HG PRO 49 17.434 25.165 29.972
81 HG3 PRO 49 3HG PRO 49 17.855 24.131 31.384
82 HD2 PRO 49 2HD PRO 49 19.774 25.422 30.005
83 HD3 PRO 49 3HD PRO 49 20.051 23.759 30.578
84 H LEU 50 H LEU 50 16.655 22.118 26.625
85 HA LEU 50 HA LEU 50 16.431 24.019 24.557
86 HB2 LEU 50 2HB LEU 50 14.491 21.921 25.560
87 HB3 LEU 50 3HB LEU 50 14.365 22.717 23.996
88 HG LEU 50 HG LEU 50 16.897 21.194 24.739
89 HD11 LEU 50 1HD1 LEU 50 14.359 20.015 23.556
90 HD12 LEU 50 2HD1 LEU 50 15.026 19.681 25.169
91 HD13 LEU 50 3HD1 LEU 50 15.929 19.186 23.724
92 HD21 LEU 50 3HD2 LEU 50 16.851 22.686 22.712
93 HD22 LEU 50 1HD2 LEU 50 15.558 21.668 22.046
94 HD23 LEU 50 2HD2 LEU 50 17.169 20.982 22.360
95 H ASP 51 H ASP 51 14.651 23.656 27.578
96 HA ASP 51 HA ASP 51 12.521 25.463 27.179
97 HB2 ASP 51 2HB ASP 51 14.000 24.791 29.752
98 HB3 ASP 51 3HB ASP 51 12.385 25.497 29.638
99 H ARG 52 H ARG 52 15.907 26.251 27.579
100 HA ARG 52 HA ARG 52 15.695 28.784 28.864
101 HB2 ARG 52 2HB ARG 52 17.785 27.394 28.529
102 HB3 ARG 52 3HB ARG 52 17.788 27.896 26.836
103 HG2 ARG 52 2HG ARG 52 19.234 29.432 27.886
104 HG3 ARG 52 3HG ARG 52 17.723 30.324 27.724
105 HD2 ARG 52 2HD ARG 52 18.321 30.783 29.918
106 HD3 ARG 52 3HD ARG 52 17.201 29.453 30.154
107 HE ARG 52 HE ARG 52 19.850 28.426 29.839
108 HH11 ARG 52 1HH1 ARG 52 17.991 30.268 32.243
109 HH12 ARG 52 2HH1 ARG 52 18.918 29.637 33.587
110 HH21 ARG 52 2HH2 ARG 52 20.670 28.217 33.218
111 HH22 ARG 52 1HH2 ARG 52 21.042 27.660 31.610
112 H GLN 53 H GLN 53 15.054 30.714 28.161
113 HA GLN 53 HA GLN 53 13.977 30.961 25.444
114 HB2 GLN 53 2HB GLN 53 13.811 32.799 27.861
115 HB3 GLN 53 3HB GLN 53 12.993 33.090 26.327
116 HG2 GLN 53 2HG GLN 53 12.483 30.617 28.045
117 HG3 GLN 53 3HG GLN 53 11.597 32.126 28.205
118 HE21 GLN 53 2HE2 GLN 53 9.226 31.019 25.860
119 HE22 GLN 53 1HE2 GLN 53 9.561 31.758 27.413
120 H CYS 54 H CYS 54 15.987 30.900 24.359
121 HA CYS 54 HA CYS 54 16.953 33.553 23.723
122 HB2 CYS 54 2HB CYS 54 19.352 32.995 24.003
123 HB3 CYS 54 3HB CYS 54 18.483 33.082 25.524
124 H LYS 55 H LYS 55 18.914 33.133 22.038
125 HA LYS 55 HA LYS 55 17.727 31.816 19.758
126 HB2 LYS 55 2HB LYS 55 19.723 33.830 20.239
127 HB3 LYS 55 3HB LYS 55 20.567 32.500 19.470
128 HG2 LYS 55 2HG LYS 55 19.840 33.883 17.708
129 HG3 LYS 55 3HG LYS 55 18.718 32.523 17.681
130 HD2 LYS 55 2HD LYS 55 17.082 33.937 19.029
131 HD3 LYS 55 3HD LYS 55 18.216 35.281 18.943
132 HE2 LYS 55 2HE LYS 55 16.887 33.899 16.582
133 HE3 LYS 55 3HE LYS 55 16.398 35.450 17.265
134 HZ1 LYS 55 3HZ LYS 55 17.765 35.806 15.357
135 HZ2 LYS 55 1HZ LYS 55 18.984 34.892 15.975
136 HZ3 LYS 55 2HZ LYS 55 18.588 36.314 16.694
137 H GLU 56 H GLU 56 18.945 30.188 18.422
138 HA GLU 56 HA GLU 56 20.941 28.560 19.761
139 HB2 GLU 56 2HB GLU 56 19.703 26.627 20.044
140 HB3 GLU 56 3HB GLU 56 18.581 27.898 20.547
141 HG2 GLU 56 2HG GLU 56 17.698 27.790 18.106
142 HG3 GLU 56 3HG GLU 56 18.555 26.238 18.046
143 H LEU 57 H LEU 57 21.159 26.428 18.258
144 HA LEU 57 HA LEU 57 21.034 27.095 15.379
145 HB2 LEU 57 2HB LEU 57 23.456 26.208 16.986
146 HB3 LEU 57 3HB LEU 57 23.379 25.959 15.250
147 HG LEU 57 HG LEU 57 23.294 28.637 16.676
148 HD11 LEU 57 1HD1 LEU 57 25.412 27.334 14.895
149 HD12 LEU 57 2HD1 LEU 57 25.514 27.563 16.656
150 HD13 LEU 57 3HD1 LEU 57 25.498 28.968 15.593
151 HD21 LEU 57 3HD2 LEU 57 23.537 29.639 14.384
152 HD22 LEU 57 1HD2 LEU 57 21.971 28.856 14.594
153 HD23 LEU 57 2HD2 LEU 57 23.251 28.035 13.670
154 H GLN 58 H GLN 58 21.910 24.943 14.229
155 HA GLN 58 HA GLN 58 20.320 22.680 15.353
156 HB2 GLN 58 2HB GLN 58 19.777 21.994 13.125
157 HB3 GLN 58 3HB GLN 58 19.310 23.679 13.362
158 HG2 GLN 58 2HG GLN 58 21.433 24.361 12.157
159 HG3 GLN 58 3HG GLN 58 21.706 22.656 11.791
160 HE21 GLN 58 2HE2 GLN 58 18.934 24.857 9.687
161 HE22 GLN 58 1HE2 GLN 58 19.761 25.513 11.090
162 H ALA 59 H ALA 59 23.311 23.547 13.608
163 HA ALA 59 HA ALA 59 24.371 20.841 13.732
164 HB1 ALA 59 1HB ALA 59 26.380 21.849 12.767
165 HB2 ALA 59 2HB ALA 59 24.941 22.433 11.909
166 HB3 ALA 59 3HB ALA 59 25.760 23.480 13.092
167 H GLU 60 H GLU 60 24.844 23.890 15.593
168 HA GLU 60 HA GLU 60 26.892 22.695 17.297
169 HB2 GLU 60 2HB GLU 60 25.509 25.378 17.205
170 HB3 GLU 60 3HB GLU 60 26.717 24.977 18.414
171 HG2 GLU 60 2HG GLU 60 27.336 24.742 15.433
172 HG3 GLU 60 3HG GLU 60 27.473 26.261 16.299
173 H SER 61 H SER 61 23.406 23.079 17.387
174 HA SER 61 HA SER 61 22.999 22.721 20.195
175 HB2 SER 61 2HB SER 61 21.193 23.448 18.825
176 HB3 SER 61 3HB SER 61 21.365 22.074 17.708
177 HG SER 61 HG SER 61 19.625 21.915 19.257
178 H ALA 62 H ALA 62 23.413 20.429 17.462
179 HA ALA 62 HA ALA 62 23.165 18.029 18.989
180 HB1 ALA 62 1HB ALA 62 24.516 18.576 16.310
181 HB2 ALA 62 2HB ALA 62 24.063 16.982 16.944
182 HB3 ALA 62 3HB ALA 62 22.802 18.170 16.560
183 H SER 63 H SER 63 25.866 20.286 18.631
184 HA SER 63 HA SER 63 27.991 18.449 19.191
185 HB2 SER 63 2HB SER 63 27.842 21.451 19.713
186 HB3 SER 63 3HB SER 63 29.300 20.468 19.710
187 HG SER 63 HG SER 63 28.898 21.581 17.702
188 H CYS 64 H CYS 64 25.759 20.306 21.253
189 HA CYS 64 HA CYS 64 27.142 19.702 23.746
190 HB2 CYS 64 2HB CYS 64 24.609 21.104 22.904
191 HB3 CYS 64 3HB CYS 64 24.850 20.652 24.592
192 H GLY 65 H GLY 65 25.085 17.820 21.777
193 HA2 GLY 65 2HA GLY 65 24.689 15.557 22.228
194 HA3 GLY 65 3HA GLY 65 24.806 15.849 23.961
195 H LYS 66 H LYS 66 22.925 14.314 23.528
196 HA LYS 66 HA LYS 66 20.460 15.055 22.393
197 HB2 LYS 66 2HB LYS 66 21.100 13.009 24.554
198 HB3 LYS 66 3HB LYS 66 19.594 13.090 23.631
199 HG2 LYS 66 2HG LYS 66 20.915 12.725 21.523
200 HG3 LYS 66 3HG LYS 66 22.378 12.561 22.507
201 HD2 LYS 66 2HD LYS 66 21.308 10.623 23.717
202 HD3 LYS 66 3HD LYS 66 19.898 10.801 22.667
203 HE2 LYS 66 2HE LYS 66 21.177 9.046 21.691
204 HE3 LYS 66 3HE LYS 66 21.437 10.469 20.676
205 HZ1 LYS 66 3HZ LYS 66 23.531 10.797 21.862
206 HZ2 LYS 66 1HZ LYS 66 23.483 9.319 21.132
207 HZ3 LYS 66 2HZ LYS 66 23.252 9.439 22.759
208 H GLY 67 H GLY 67 19.125 16.632 23.031
209 HA2 GLY 67 2HA GLY 67 17.452 17.463 24.421
210 HA3 GLY 67 3HA GLY 67 18.225 16.760 25.835
211 H GLN 68 H GLN 68 20.522 18.497 23.973
212 HA GLN 68 HA GLN 68 20.182 20.991 25.587
213 HB2 GLN 68 2HB GLN 68 22.714 19.676 24.516
214 HB3 GLN 68 3HB GLN 68 22.651 21.215 25.374
215 HG2 GLN 68 2HG GLN 68 21.908 18.510 26.569
216 HG3 GLN 68 3HG GLN 68 23.428 19.360 26.798
217 HE21 GLN 68 2HE2 GLN 68 20.244 20.318 29.135
218 HE22 GLN 68 1HE2 GLN 68 20.212 19.003 27.979
219 H LYS 69 H LYS 69 21.105 22.931 24.515
220 HA LYS 69 HA LYS 69 21.348 22.877 21.591
221 HB2 LYS 69 2HB LYS 69 19.726 24.701 21.340
222 HB3 LYS 69 3HB LYS 69 18.957 23.243 21.939
223 HG2 LYS 69 2HG LYS 69 18.718 24.117 24.156
224 HG3 LYS 69 3HG LYS 69 19.935 25.369 23.877
225 HD2 LYS 69 2HD LYS 69 18.439 26.407 22.186
226 HD3 LYS 69 3HD LYS 69 17.147 25.298 22.676
227 HE2 LYS 69 2HE LYS 69 16.853 26.378 24.712
228 HE3 LYS 69 3HE LYS 69 18.573 26.743 24.872
229 HZ1 LYS 69 3HZ LYS 69 16.736 28.124 23.054
230 HZ2 LYS 69 1HZ LYS 69 18.341 28.467 23.259
231 HZ3 LYS 69 2HZ LYS 69 17.268 28.716 24.492
232 H CYS 70 H CYS 70 21.752 25.363 20.863
233 HA CYS 70 HA CYS 70 23.983 26.342 22.542
234 HB2 CYS 70 2HB CYS 70 24.013 26.101 19.963
235 HB3 CYS 70 3HB CYS 70 23.023 27.564 19.952
236 H CYS 71 H CYS 71 24.104 28.706 22.952
237 HA CYS 71 HA CYS 71 21.749 30.367 22.861
238 HB2 CYS 71 2HB CYS 71 21.317 29.010 24.855
239 HB3 CYS 71 3HB CYS 71 22.835 29.577 25.569
240 H VAL 72 H VAL 72 22.517 32.217 22.286
241 HA VAL 72 HA VAL 72 25.300 33.022 22.617
242 HB VAL 72 HB VAL 72 24.681 35.008 21.355
243 HG11 VAL 72 1HG1 VAL 72 24.047 33.949 19.256
244 HG12 VAL 72 2HG1 VAL 72 25.135 32.876 20.154
245 HG13 VAL 72 3HG1 VAL 72 23.390 32.542 20.103
246 HG21 VAL 72 3HG2 VAL 72 22.387 35.356 20.488
247 HG22 VAL 72 1HG2 VAL 72 21.793 34.026 21.502
248 HG23 VAL 72 2HG2 VAL 72 22.451 35.499 22.249
249 H TRP 73 H TRP 73 25.466 35.576 23.220
250 HA TRP 73 HA TRP 73 24.247 35.936 25.921
251 HB2 TRP 73 2HB TRP 73 26.606 36.782 26.536
252 HB3 TRP 73 3HB TRP 73 26.272 35.064 26.495
253 HD1 TRP 73 HD1 TRP 73 27.829 37.635 24.023
254 HE1 TRP 73 HE1 TRP 73 29.780 36.545 22.831
255 HE3 TRP 73 HE3 TRP 73 27.370 32.945 25.941
256 HZ2 TRP 73 HZ2 TRP 73 31.079 33.945 22.775
257 HZ3 TRP 73 HZ3 TRP 73 28.996 31.168 25.325
258 HH2 TRP 73 HH2 TRP 73 30.854 31.660 23.749
259 H LEU 74 H LEU 74 25.777 37.510 23.130
260 HA LEU 74 HA LEU 74 24.463 40.091 23.917
261 HB2 LEU 74 2HB LEU 74 27.283 39.596 22.907
262 HB3 LEU 74 3HB LEU 74 26.442 41.070 22.499
263 HG LEU 74 HG LEU 74 27.873 41.543 24.270
264 HD11 LEU 74 1HD1 LEU 74 25.658 42.671 24.266
265 HD12 LEU 74 2HD1 LEU 74 26.413 42.589 25.868
266 HD13 LEU 74 3HD1 LEU 74 25.081 41.491 25.472
267 HD21 LEU 74 3HD2 LEU 74 28.205 39.377 25.328
268 HD22 LEU 74 1HD2 LEU 74 26.558 39.437 26.012
269 HD23 LEU 74 2HD2 LEU 74 27.776 40.613 26.515
270 H HIS 75 H HIS 75 22.974 40.631 22.586
271 HA HIS 75 HA HIS 75 21.487 40.548 20.902
272 HB2 HIS 75 2HB HIS 75 24.016 41.315 19.401
273 HB3 HIS 75 3HB HIS 75 22.392 41.426 18.725
274 HD1 HIS 75 HD1 HIS 75 24.750 43.381 20.891
275 HD2 HIS 75 HD2 HIS 75 20.631 43.163 19.989
276 HE1 HIS 75 HE1 HIS 75 23.698 45.586 21.692
277 HE2 HIS 75 HE2 HIS 75 21.190 45.438 21.150
Start of MODEL 18
1 H1 LEU 37 H LEU 37 28.450 27.556 15.911
2 HA LEU 37 HA LEU 37 30.294 28.672 16.851
3 HB2 LEU 37 2HB LEU 37 31.423 30.434 15.729
4 HB3 LEU 37 3HB LEU 37 31.525 28.963 14.781
5 HG LEU 37 HG LEU 37 29.395 30.071 13.536
6 HD11 LEU 37 1HD1 LEU 37 29.434 32.249 14.948
7 HD12 LEU 37 2HD1 LEU 37 29.748 32.558 13.259
8 HD13 LEU 37 3HD1 LEU 37 31.075 32.492 14.401
9 HD21 LEU 37 3HD2 LEU 37 31.505 29.347 12.398
10 HD22 LEU 37 1HD2 LEU 37 32.305 30.790 12.992
11 HD23 LEU 37 2HD2 LEU 37 31.002 30.919 11.814
12 H THR 38 H THR 38 27.493 29.867 14.957
13 HA THR 38 HA THR 38 27.168 32.324 16.304
14 HB THR 38 HB THR 38 25.156 30.650 14.742
15 HG1 THR 38 1HG THR 38 25.978 31.668 12.972
16 HG21 THR 38 1HG2 THR 38 24.057 32.520 15.835
17 HG22 THR 38 2HG2 THR 38 24.217 32.825 14.103
18 HG23 THR 38 3HG2 THR 38 25.310 33.644 15.254
19 H GLY 39 H GLY 39 26.023 29.087 17.135
20 HA2 GLY 39 2HA GLY 39 24.537 30.157 19.501
21 HA3 GLY 39 3HA GLY 39 23.949 28.845 18.501
22 H CYS 40 H CYS 40 26.967 27.887 18.415
23 HA CYS 40 HA CYS 40 27.434 27.086 21.207
24 HB2 CYS 40 2HB CYS 40 27.615 25.061 18.990
25 HB3 CYS 40 3HB CYS 40 27.692 24.756 20.716
26 H LYS 41 H LYS 41 29.687 26.450 21.580
27 HA LYS 41 HA LYS 41 31.526 27.970 20.059
28 HB2 LYS 41 2HB LYS 41 31.669 27.775 22.446
29 HB3 LYS 41 3HB LYS 41 31.765 26.021 22.368
30 HG2 LYS 41 2HG LYS 41 33.902 27.017 22.872
31 HG3 LYS 41 3HG LYS 41 33.971 26.123 21.350
32 HD2 LYS 41 2HD LYS 41 33.901 28.195 20.060
33 HD3 LYS 41 3HD LYS 41 33.627 29.157 21.522
34 HE2 LYS 41 2HE LYS 41 36.113 27.459 21.036
35 HE3 LYS 41 3HE LYS 41 35.984 29.173 20.579
36 HZ1 LYS 41 3HZ LYS 41 35.734 28.108 23.294
37 HZ2 LYS 41 1HZ LYS 41 35.575 29.691 22.859
38 HZ3 LYS 41 2HZ LYS 41 37.022 28.928 22.662
39 H GLY 42 H GLY 42 31.363 24.370 20.614
40 HA2 GLY 42 2HA GLY 42 31.412 23.497 18.070
41 HA3 GLY 42 3HA GLY 42 33.115 23.899 18.291
42 H LYS 43 H LYS 43 32.761 22.962 21.282
43 HA LYS 43 HA LYS 43 33.509 20.184 20.771
44 HB2 LYS 43 2HB LYS 43 33.248 21.779 23.353
45 HB3 LYS 43 3HB LYS 43 33.843 20.119 23.218
46 HG2 LYS 43 2HG LYS 43 35.731 20.821 21.876
47 HG3 LYS 43 3HG LYS 43 35.146 22.493 21.846
48 HD2 LYS 43 2HD LYS 43 36.934 22.296 23.408
49 HD3 LYS 43 3HD LYS 43 35.454 22.680 24.289
50 HE2 LYS 43 2HE LYS 43 36.466 19.829 24.017
51 HE3 LYS 43 3HE LYS 43 37.148 20.949 25.211
52 HZ1 LYS 43 3HZ LYS 43 34.937 21.222 26.122
53 HZ2 LYS 43 1HZ LYS 43 35.399 19.640 26.162
54 HZ3 LYS 43 2HZ LYS 43 34.319 20.157 25.034
55 H GLY 44 H GLY 44 30.535 21.752 21.368
56 HA2 GLY 44 2HA GLY 44 28.728 19.956 20.860
57 HA3 GLY 44 3HA GLY 44 29.185 19.336 22.447
58 H GLY 45 H GLY 45 29.636 22.457 23.048
59 HA2 GLY 45 2HA GLY 45 28.462 24.175 23.965
60 HA3 GLY 45 3HA GLY 45 26.957 23.534 23.291
61 H GLU 46 H GLU 46 26.671 24.536 25.705
62 HA GLU 46 HA GLU 46 26.991 22.575 27.834
63 HB2 GLU 46 2HB GLU 46 25.510 25.206 27.637
64 HB3 GLU 46 3HB GLU 46 25.382 24.138 29.041
65 HG2 GLU 46 2HG GLU 46 27.803 24.146 29.362
66 HG3 GLU 46 3HG GLU 46 28.030 25.168 27.940
67 H CYS 47 H CYS 47 25.875 20.935 28.110
68 HA CYS 47 HA CYS 47 23.645 20.275 26.346
69 HB2 CYS 47 2HB CYS 47 25.240 18.582 28.293
70 HB3 CYS 47 3HB CYS 47 24.045 17.983 27.139
71 H ASN 48 H ASN 48 21.987 21.419 27.054
72 HA ASN 48 HA ASN 48 20.947 21.235 29.801
73 HB2 ASN 48 2HB ASN 48 20.337 22.885 27.310
74 HB3 ASN 48 3HB ASN 48 19.184 22.815 28.635
75 HD21 ASN 48 2HD2 ASN 48 22.826 24.643 29.389
76 HD22 ASN 48 1HD2 ASN 48 22.774 23.349 28.199
77 HA PRO 49 HA PRO 49 17.675 18.341 28.579
78 HB2 PRO 49 3HB PRO 49 16.940 18.360 30.775
79 HB3 PRO 49 2HB PRO 49 15.525 19.180 30.048
80 HG2 PRO 49 2HG PRO 49 16.370 21.334 30.643
81 HG3 PRO 49 3HG PRO 49 16.901 20.367 32.057
82 HD2 PRO 49 2HD PRO 49 18.642 21.810 30.525
83 HD3 PRO 49 3HD PRO 49 19.118 20.260 31.263
84 H LEU 50 H LEU 50 15.813 18.265 27.262
85 HA LEU 50 HA LEU 50 15.616 20.235 25.232
86 HB2 LEU 50 2HB LEU 50 13.725 17.999 26.045
87 HB3 LEU 50 3HB LEU 50 13.653 18.855 24.508
88 HG LEU 50 HG LEU 50 16.170 17.348 25.364
89 HD11 LEU 50 1HD1 LEU 50 14.282 15.783 25.474
90 HD12 LEU 50 2HD1 LEU 50 15.305 15.422 24.071
91 HD13 LEU 50 3HD1 LEU 50 13.759 16.271 23.847
92 HD21 LEU 50 3HD2 LEU 50 16.575 17.209 22.937
93 HD22 LEU 50 1HD2 LEU 50 16.467 18.879 23.481
94 HD23 LEU 50 2HD2 LEU 50 15.095 18.146 22.629
95 H ASP 51 H ASP 51 13.631 19.564 28.090
96 HA ASP 51 HA ASP 51 11.737 21.724 27.598
97 HB2 ASP 51 2HB ASP 51 11.159 19.542 28.692
98 HB3 ASP 51 3HB ASP 51 12.127 20.012 30.087
99 H ARG 52 H ARG 52 13.841 23.126 27.338
100 HA ARG 52 HA ARG 52 14.081 24.677 29.853
101 HB2 ARG 52 2HB ARG 52 16.129 23.310 29.257
102 HB3 ARG 52 3HB ARG 52 16.292 24.280 27.800
103 HG2 ARG 52 2HG ARG 52 17.785 25.074 29.534
104 HG3 ARG 52 3HG ARG 52 16.551 26.324 29.295
105 HD2 ARG 52 2HD ARG 52 15.426 25.762 31.300
106 HD3 ARG 52 3HD ARG 52 16.178 24.154 31.391
107 HE ARG 52 HE ARG 52 18.272 25.919 31.527
108 HH11 ARG 52 1HH1 ARG 52 15.413 25.190 33.509
109 HH12 ARG 52 2HH1 ARG 52 16.198 25.644 35.004
110 HH21 ARG 52 2HH2 ARG 52 18.335 26.447 34.992
111 HH22 ARG 52 1HH2 ARG 52 19.222 26.571 33.484
112 H GLN 53 H GLN 53 14.229 26.876 29.645
113 HA GLN 53 HA GLN 53 12.913 28.128 27.453
114 HB2 GLN 53 2HB GLN 53 13.008 30.116 28.863
115 HB3 GLN 53 3HB GLN 53 12.540 28.717 29.818
116 HG2 GLN 53 2HG GLN 53 14.914 28.524 30.649
117 HG3 GLN 53 3HG GLN 53 15.310 30.001 29.764
118 HE21 GLN 53 2HE2 GLN 53 13.485 32.164 32.017
119 HE22 GLN 53 1HE2 GLN 53 13.948 32.001 30.334
120 H CYS 54 H CYS 54 15.649 26.978 26.875
121 HA CYS 54 HA CYS 54 17.079 29.411 25.931
122 HB2 CYS 54 2HB CYS 54 18.093 27.781 27.613
123 HB3 CYS 54 3HB CYS 54 18.224 26.637 26.283
124 H LYS 55 H LYS 55 18.488 28.823 23.994
125 HA LYS 55 HA LYS 55 16.874 28.241 21.696
126 HB2 LYS 55 2HB LYS 55 18.782 29.841 21.823
127 HB3 LYS 55 3HB LYS 55 19.905 28.488 21.979
128 HG2 LYS 55 2HG LYS 55 19.350 27.694 19.748
129 HG3 LYS 55 3HG LYS 55 18.040 28.864 19.596
130 HD2 LYS 55 2HD LYS 55 21.002 29.554 19.859
131 HD3 LYS 55 3HD LYS 55 20.125 29.440 18.334
132 HE2 LYS 55 2HE LYS 55 19.500 31.412 20.576
133 HE3 LYS 55 3HE LYS 55 20.385 31.774 19.084
134 HZ1 LYS 55 3HZ LYS 55 18.409 31.157 17.860
135 HZ2 LYS 55 1HZ LYS 55 18.133 32.415 18.895
136 HZ3 LYS 55 2HZ LYS 55 17.590 30.905 19.264
137 H GLU 56 H GLU 56 17.330 26.552 20.090
138 HA GLU 56 HA GLU 56 18.791 24.147 20.963
139 HB2 GLU 56 2HB GLU 56 16.534 23.639 21.625
140 HB3 GLU 56 3HB GLU 56 15.889 24.160 20.059
141 HG2 GLU 56 2HG GLU 56 17.062 22.305 18.932
142 HG3 GLU 56 3HG GLU 56 17.825 21.825 20.446
143 H LEU 57 H LEU 57 20.284 23.954 19.466
144 HA LEU 57 HA LEU 57 20.070 24.870 16.722
145 HB2 LEU 57 2HB LEU 57 22.111 23.274 18.323
146 HB3 LEU 57 3HB LEU 57 22.304 23.562 16.610
147 HG LEU 57 HG LEU 57 23.635 25.080 17.860
148 HD11 LEU 57 1HD1 LEU 57 21.382 26.655 16.567
149 HD12 LEU 57 2HD1 LEU 57 22.722 25.861 15.709
150 HD13 LEU 57 3HD1 LEU 57 23.050 27.190 16.831
151 HD21 LEU 57 3HD2 LEU 57 22.224 25.262 19.933
152 HD22 LEU 57 1HD2 LEU 57 21.174 26.396 19.054
153 HD23 LEU 57 2HD2 LEU 57 22.871 26.800 19.341
154 H GLN 58 H GLN 58 20.847 23.192 14.978
155 HA GLN 58 HA GLN 58 19.020 20.844 15.133
156 HB2 GLN 58 2HB GLN 58 18.537 21.158 12.813
157 HB3 GLN 58 3HB GLN 58 18.286 22.670 13.695
158 HG2 GLN 58 2HG GLN 58 20.434 23.551 12.841
159 HG3 GLN 58 3HG GLN 58 20.700 22.041 11.954
160 HE21 GLN 58 2HE2 GLN 58 18.989 23.314 9.152
161 HE22 GLN 58 1HE2 GLN 58 20.300 22.342 9.792
162 H ALA 59 H ALA 59 22.247 21.829 14.433
163 HA ALA 59 HA ALA 59 23.004 19.040 13.632
164 HB1 ALA 59 1HB ALA 59 23.499 20.769 11.978
165 HB2 ALA 59 2HB ALA 59 24.520 21.621 13.165
166 HB3 ALA 59 3HB ALA 59 24.964 19.994 12.611
167 H GLU 60 H GLU 60 23.308 21.366 16.230
168 HA GLU 60 HA GLU 60 25.555 19.860 17.443
169 HB2 GLU 60 2HB GLU 60 24.696 22.767 17.604
170 HB3 GLU 60 3HB GLU 60 25.938 22.037 18.620
171 HG2 GLU 60 2HG GLU 60 27.233 21.393 16.595
172 HG3 GLU 60 3HG GLU 60 26.024 22.186 15.577
173 H SER 61 H SER 61 22.182 20.296 17.746
174 HA SER 61 HA SER 61 21.964 20.053 20.615
175 HB2 SER 61 2HB SER 61 19.676 19.256 20.084
176 HB3 SER 61 3HB SER 61 20.071 20.810 19.336
177 HG SER 61 HG SER 61 19.062 19.427 17.845
178 H ALA 62 H ALA 62 22.096 17.755 17.871
179 HA ALA 62 HA ALA 62 21.970 15.355 19.443
180 HB1 ALA 62 1HB ALA 62 22.948 15.843 16.605
181 HB2 ALA 62 2HB ALA 62 22.523 14.270 17.322
182 HB3 ALA 62 3HB ALA 62 21.270 15.505 17.093
183 H SER 63 H SER 63 24.592 17.571 18.921
184 HA SER 63 HA SER 63 26.796 15.713 19.086
185 HB2 SER 63 2HB SER 63 26.956 18.035 18.182
186 HB3 SER 63 3HB SER 63 26.673 18.663 19.818
187 HG SER 63 HG SER 63 28.781 16.887 19.125
188 H CYS 64 H CYS 64 24.769 17.387 21.487
189 HA CYS 64 HA CYS 64 26.256 16.542 23.837
190 HB2 CYS 64 2HB CYS 64 23.465 17.591 23.293
191 HB3 CYS 64 3HB CYS 64 23.955 17.030 24.894
192 H GLY 65 H GLY 65 23.616 15.166 21.882
193 HA2 GLY 65 2HA GLY 65 23.802 12.648 21.810
194 HA3 GLY 65 3HA GLY 65 23.597 12.700 23.560
195 H LYS 66 H LYS 66 21.873 11.194 22.379
196 HA LYS 66 HA LYS 66 19.428 12.444 21.517
197 HB2 LYS 66 2HB LYS 66 20.312 10.075 20.968
198 HB3 LYS 66 3HB LYS 66 19.814 9.620 22.588
199 HG2 LYS 66 2HG LYS 66 17.982 8.993 21.273
200 HG3 LYS 66 3HG LYS 66 17.464 10.555 21.920
201 HD2 LYS 66 2HD LYS 66 18.245 11.628 19.747
202 HD3 LYS 66 3HD LYS 66 18.691 10.015 19.169
203 HE2 LYS 66 2HE LYS 66 16.598 10.466 18.204
204 HE3 LYS 66 3HE LYS 66 16.285 9.308 19.515
205 HZ1 LYS 66 3HZ LYS 66 15.890 12.219 19.625
206 HZ2 LYS 66 1HZ LYS 66 15.606 11.182 20.873
207 HZ3 LYS 66 2HZ LYS 66 14.704 11.086 19.492
208 H GLY 67 H GLY 67 18.332 13.706 22.906
209 HA2 GLY 67 2HA GLY 67 16.715 13.684 24.728
210 HA3 GLY 67 3HA GLY 67 17.867 12.809 25.724
211 H GLN 68 H GLN 68 19.629 15.149 24.011
212 HA GLN 68 HA GLN 68 19.184 17.310 26.008
213 HB2 GLN 68 2HB GLN 68 21.886 16.211 25.145
214 HB3 GLN 68 3HB GLN 68 21.627 17.619 26.172
215 HG2 GLN 68 2HG GLN 68 20.559 16.173 27.889
216 HG3 GLN 68 3HG GLN 68 20.909 14.750 26.893
217 HE21 GLN 68 2HE2 GLN 68 23.756 16.035 29.383
218 HE22 GLN 68 1HE2 GLN 68 22.073 16.514 29.494
219 H LYS 69 H LYS 69 20.350 19.340 25.293
220 HA LYS 69 HA LYS 69 20.951 19.591 22.463
221 HB2 LYS 69 2HB LYS 69 19.320 21.438 22.087
222 HB3 LYS 69 3HB LYS 69 18.629 19.842 22.261
223 HG2 LYS 69 2HG LYS 69 17.129 21.014 23.446
224 HG3 LYS 69 3HG LYS 69 18.168 20.542 24.774
225 HD2 LYS 69 2HD LYS 69 19.199 22.840 24.713
226 HD3 LYS 69 3HD LYS 69 18.227 23.201 23.271
227 HE2 LYS 69 2HE LYS 69 16.190 22.518 24.784
228 HE3 LYS 69 3HE LYS 69 17.323 22.789 26.121
229 HZ1 LYS 69 3HZ LYS 69 16.523 24.732 24.073
230 HZ2 LYS 69 1HZ LYS 69 17.638 25.022 25.242
231 HZ3 LYS 69 2HZ LYS 69 16.057 24.734 25.644
232 H CYS 70 H CYS 70 21.829 21.699 21.870
233 HA CYS 70 HA CYS 70 23.632 22.745 23.919
234 HB2 CYS 70 2HB CYS 70 24.463 22.399 21.679
235 HB3 CYS 70 3HB CYS 70 23.137 23.328 20.987
236 H CYS 71 H CYS 71 23.691 24.952 24.586
237 HA CYS 71 HA CYS 71 21.287 26.640 24.179
238 HB2 CYS 71 2HB CYS 71 20.770 25.335 26.122
239 HB3 CYS 71 3HB CYS 71 22.406 25.518 26.753
240 H VAL 72 H VAL 72 21.753 28.719 24.059
241 HA VAL 72 HA VAL 72 24.460 29.778 24.101
242 HB VAL 72 HB VAL 72 23.374 31.935 23.587
243 HG11 VAL 72 1HG1 VAL 72 22.497 31.341 21.377
244 HG12 VAL 72 2HG1 VAL 72 23.956 30.424 21.773
245 HG13 VAL 72 3HG1 VAL 72 22.366 29.639 21.861
246 HG21 VAL 72 3HG2 VAL 72 20.719 30.433 23.713
247 HG22 VAL 72 1HG2 VAL 72 21.269 31.667 24.867
248 HG23 VAL 72 2HG2 VAL 72 20.974 32.103 23.182
249 H TRP 73 H TRP 73 24.819 31.923 25.222
250 HA TRP 73 HA TRP 73 23.724 32.037 27.994
251 HB2 TRP 73 2HB TRP 73 25.971 33.147 28.507
252 HB3 TRP 73 3HB TRP 73 25.916 31.404 28.320
253 HD1 TRP 73 HD1 TRP 73 26.790 34.414 26.009
254 HE1 TRP 73 HE1 TRP 73 28.613 33.734 24.420
255 HE3 TRP 73 HE3 TRP 73 27.367 29.577 27.544
256 HZ2 TRP 73 HZ2 TRP 73 30.362 31.413 24.016
257 HZ3 TRP 73 HZ3 TRP 73 29.185 28.164 26.577
258 HH2 TRP 73 HH2 TRP 73 30.675 29.076 24.823
259 H LEU 74 H LEU 74 24.684 33.774 25.064
260 HA LEU 74 HA LEU 74 22.824 35.927 25.604
261 HB2 LEU 74 2HB LEU 74 24.872 36.623 26.904
262 HB3 LEU 74 3HB LEU 74 25.819 36.505 25.426
263 HG LEU 74 HG LEU 74 24.454 38.346 24.427
264 HD11 LEU 74 1HD1 LEU 74 23.188 38.493 27.207
265 HD12 LEU 74 2HD1 LEU 74 22.345 38.109 25.691
266 HD13 LEU 74 3HD1 LEU 74 23.014 39.721 25.937
267 HD21 LEU 74 3HD2 LEU 74 26.580 38.815 25.574
268 HD22 LEU 74 1HD2 LEU 74 25.717 39.017 27.114
269 HD23 LEU 74 2HD2 LEU 74 25.430 40.145 25.772
270 H HIS 75 H HIS 75 22.275 36.970 23.655
271 HA HIS 75 HA HIS 75 22.799 35.615 21.196
272 HB2 HIS 75 2HB HIS 75 20.694 36.824 21.787
273 HB3 HIS 75 3HB HIS 75 21.565 38.353 21.674
274 HD1 HIS 75 HD1 HIS 75 21.272 35.315 19.244
275 HD2 HIS 75 HD2 HIS 75 20.916 39.518 19.440
276 HE1 HIS 75 HE1 HIS 75 20.615 36.120 16.883
277 HE2 HIS 75 HE2 HIS 75 20.417 38.681 17.023
Start of MODEL 19
1 H1 LEU 37 H LEU 37 35.273 20.678 25.655
2 HA LEU 37 HA LEU 37 32.734 19.555 26.569
3 HB2 LEU 37 2HB LEU 37 33.569 21.841 27.422
4 HB3 LEU 37 3HB LEU 37 33.210 22.457 25.809
5 HG LEU 37 HG LEU 37 31.131 20.861 27.353
6 HD11 LEU 37 1HD1 LEU 37 30.294 22.942 28.389
7 HD12 LEU 37 2HD1 LEU 37 31.686 23.838 27.736
8 HD13 LEU 37 3HD1 LEU 37 31.932 22.555 28.945
9 HD21 LEU 37 3HD2 LEU 37 29.513 22.080 26.107
10 HD22 LEU 37 1HD2 LEU 37 30.740 21.651 24.916
11 HD23 LEU 37 2HD2 LEU 37 30.703 23.295 25.572
12 H THR 38 H THR 38 31.285 19.029 25.073
13 HA THR 38 HA THR 38 32.076 19.245 22.207
14 HB THR 38 HB THR 38 30.734 16.971 23.712
15 HG1 THR 38 1HG THR 38 32.715 15.959 23.425
16 HG21 THR 38 1HG2 THR 38 31.742 17.116 20.835
17 HG22 THR 38 2HG2 THR 38 30.053 16.905 21.356
18 HG23 THR 38 3HG2 THR 38 31.235 15.631 21.671
19 H GLY 39 H GLY 39 29.408 19.592 24.488
20 HA2 GLY 39 2HA GLY 39 27.234 19.251 22.746
21 HA3 GLY 39 3HA GLY 39 27.205 20.132 24.277
22 H CYS 40 H CYS 40 28.726 22.327 23.839
23 HA CYS 40 HA CYS 40 27.938 23.662 21.318
24 HB2 CYS 40 2HB CYS 40 27.504 24.826 24.095
25 HB3 CYS 40 3HB CYS 40 27.329 25.701 22.582
26 H LYS 41 H LYS 41 29.161 25.978 21.412
27 HA LYS 41 HA LYS 41 31.996 25.427 21.653
28 HB2 LYS 41 2HB LYS 41 30.370 27.918 21.063
29 HB3 LYS 41 3HB LYS 41 32.108 27.995 21.326
30 HG2 LYS 41 2HG LYS 41 31.856 27.907 19.010
31 HG3 LYS 41 3HG LYS 41 32.470 26.323 19.496
32 HD2 LYS 41 2HD LYS 41 30.190 25.378 19.275
33 HD3 LYS 41 3HD LYS 41 29.578 26.974 18.809
34 HE2 LYS 41 2HE LYS 41 31.748 25.476 17.290
35 HE3 LYS 41 3HE LYS 41 30.019 25.335 16.933
36 HZ1 LYS 41 3HZ LYS 41 29.954 27.667 16.497
37 HZ2 LYS 41 1HZ LYS 41 31.095 26.943 15.546
38 HZ3 LYS 41 2HZ LYS 41 31.562 27.833 16.850
39 H GLY 42 H GLY 42 29.635 26.546 23.957
40 HA2 GLY 42 2HA GLY 42 29.850 26.710 26.234
41 HA3 GLY 42 3HA GLY 42 31.607 26.626 26.103
42 H LYS 43 H LYS 43 31.693 28.831 24.106
43 HA LYS 43 HA LYS 43 31.682 31.124 25.944
44 HB2 LYS 43 2HB LYS 43 32.721 30.675 23.118
45 HB3 LYS 43 3HB LYS 43 32.754 32.252 23.934
46 HG2 LYS 43 2HG LYS 43 34.201 31.434 25.673
47 HG3 LYS 43 3HG LYS 43 34.009 29.764 25.138
48 HD2 LYS 43 2HD LYS 43 36.164 30.513 24.471
49 HD3 LYS 43 3HD LYS 43 35.204 30.292 23.013
50 HE2 LYS 43 2HE LYS 43 35.487 33.014 24.336
51 HE3 LYS 43 3HE LYS 43 36.748 32.380 23.266
52 HZ1 LYS 43 3HZ LYS 43 33.946 32.805 22.498
53 HZ2 LYS 43 1HZ LYS 43 35.130 32.196 21.527
54 HZ3 LYS 43 2HZ LYS 43 35.223 33.751 22.077
55 H GLY 44 H GLY 44 30.577 30.693 22.535
56 HA2 GLY 44 2HA GLY 44 28.689 32.894 22.778
57 HA3 GLY 44 3HA GLY 44 29.064 31.949 21.343
58 H GLY 45 H GLY 45 28.353 29.658 23.679
59 HA2 GLY 45 2HA GLY 45 25.522 29.898 23.967
60 HA3 GLY 45 3HA GLY 45 25.914 28.777 22.644
61 H GLU 46 H GLU 46 24.599 27.987 25.005
62 HA GLU 46 HA GLU 46 26.577 26.158 26.270
63 HB2 GLU 46 2HB GLU 46 24.391 27.812 27.579
64 HB3 GLU 46 3HB GLU 46 25.161 26.432 28.366
65 HG2 GLU 46 2HG GLU 46 27.355 27.497 28.228
66 HG3 GLU 46 3HG GLU 46 26.671 28.886 27.378
67 H CYS 47 H CYS 47 25.804 24.190 26.922
68 HA CYS 47 HA CYS 47 23.633 23.086 25.334
69 HB2 CYS 47 2HB CYS 47 25.949 22.105 25.707
70 HB3 CYS 47 3HB CYS 47 25.449 21.738 27.356
71 H ASN 48 H ASN 48 21.629 23.439 26.088
72 HA ASN 48 HA ASN 48 20.995 22.917 28.944
73 HB2 ASN 48 2HB ASN 48 19.303 24.818 28.765
74 HB3 ASN 48 3HB ASN 48 20.995 25.184 29.025
75 HD21 ASN 48 2HD2 ASN 48 21.350 27.206 26.223
76 HD22 ASN 48 1HD2 ASN 48 22.014 26.477 27.680
77 HA PRO 49 HA PRO 49 17.523 20.596 27.315
78 HB2 PRO 49 3HB PRO 49 16.940 20.037 29.465
79 HB3 PRO 49 2HB PRO 49 15.503 21.048 29.125
80 HG2 PRO 49 2HG PRO 49 16.523 22.957 30.176
81 HG3 PRO 49 3HG PRO 49 17.058 21.615 31.248
82 HD2 PRO 49 2HD PRO 49 18.855 23.257 30.117
83 HD3 PRO 49 3HD PRO 49 19.182 21.505 30.201
84 H LEU 50 H LEU 50 15.301 20.791 26.526
85 HA LEU 50 HA LEU 50 14.834 23.032 24.847
86 HB2 LEU 50 2HB LEU 50 13.017 20.804 25.808
87 HB3 LEU 50 3HB LEU 50 12.646 21.879 24.462
88 HG LEU 50 HG LEU 50 15.210 20.223 24.437
89 HD11 LEU 50 1HD1 LEU 50 13.348 18.682 24.895
90 HD12 LEU 50 2HD1 LEU 50 13.982 18.455 23.250
91 HD13 LEU 50 3HD1 LEU 50 12.451 19.330 23.505
92 HD21 LEU 50 3HD2 LEU 50 13.450 21.349 22.220
93 HD22 LEU 50 1HD2 LEU 50 14.935 20.401 22.003
94 HD23 LEU 50 2HD2 LEU 50 15.015 22.000 22.757
95 H ASP 51 H ASP 51 13.624 22.129 28.029
96 HA ASP 51 HA ASP 51 11.881 24.473 28.320
97 HB2 ASP 51 2HB ASP 51 12.721 22.278 30.256
98 HB3 ASP 51 3HB ASP 51 11.603 23.591 30.648
99 H ARG 52 H ARG 52 14.027 25.720 27.631
100 HA ARG 52 HA ARG 52 14.930 27.025 30.122
101 HB2 ARG 52 2HB ARG 52 16.653 25.337 28.968
102 HB3 ARG 52 3HB ARG 52 16.874 26.652 27.826
103 HG2 ARG 52 2HG ARG 52 18.546 26.925 29.467
104 HG3 ARG 52 3HG ARG 52 17.336 28.143 29.889
105 HD2 ARG 52 2HD ARG 52 16.431 26.718 31.648
106 HD3 ARG 52 3HD ARG 52 17.373 25.326 31.095
107 HE ARG 52 HE ARG 52 19.388 26.800 31.596
108 HH11 ARG 52 1HH1 ARG 52 16.459 26.767 33.631
109 HH12 ARG 52 2HH1 ARG 52 17.335 27.264 35.063
110 HH21 ARG 52 2HH2 ARG 52 19.578 27.596 34.986
111 HH22 ARG 52 1HH2 ARG 52 20.457 27.403 33.484
112 H GLN 53 H GLN 53 15.687 29.187 29.829
113 HA GLN 53 HA GLN 53 14.156 30.675 27.900
114 HB2 GLN 53 2HB GLN 53 15.980 31.518 30.171
115 HB3 GLN 53 3HB GLN 53 15.032 32.647 29.198
116 HG2 GLN 53 2HG GLN 53 13.860 30.435 30.932
117 HG3 GLN 53 3HG GLN 53 13.987 32.139 31.368
118 HE21 GLN 53 2HE2 GLN 53 10.521 31.310 30.089
119 HE22 GLN 53 1HE2 GLN 53 11.558 30.598 31.311
120 H CYS 54 H CYS 54 15.752 29.339 26.304
121 HA CYS 54 HA CYS 54 17.277 31.514 25.025
122 HB2 CYS 54 2HB CYS 54 18.380 28.771 25.633
123 HB3 CYS 54 3HB CYS 54 18.783 29.537 24.109
124 H LYS 55 H LYS 55 17.608 31.042 22.749
125 HA LYS 55 HA LYS 55 15.286 30.124 21.296
126 HB2 LYS 55 2HB LYS 55 17.217 31.924 20.786
127 HB3 LYS 55 3HB LYS 55 18.057 30.521 20.160
128 HG2 LYS 55 2HG LYS 55 17.120 31.247 18.244
129 HG3 LYS 55 3HG LYS 55 15.779 30.236 18.746
130 HD2 LYS 55 2HD LYS 55 15.998 33.262 19.166
131 HD3 LYS 55 3HD LYS 55 15.111 32.450 17.879
132 HE2 LYS 55 2HE LYS 55 13.422 32.947 19.358
133 HE3 LYS 55 3HE LYS 55 13.778 31.264 19.752
134 HZ1 LYS 55 3HZ LYS 55 14.715 33.648 21.209
135 HZ2 LYS 55 1HZ LYS 55 15.132 32.103 21.589
136 HZ3 LYS 55 2HZ LYS 55 13.564 32.589 21.716
137 H GLU 56 H GLU 56 15.700 28.560 19.413
138 HA GLU 56 HA GLU 56 17.293 26.180 20.202
139 HB2 GLU 56 2HB GLU 56 14.920 25.807 20.659
140 HB3 GLU 56 3HB GLU 56 14.500 26.241 18.999
141 HG2 GLU 56 2HG GLU 56 15.694 24.304 18.127
142 HG3 GLU 56 3HG GLU 56 16.367 23.949 19.721
143 H LEU 57 H LEU 57 18.967 26.449 18.959
144 HA LEU 57 HA LEU 57 19.139 27.346 16.244
145 HB2 LEU 57 2HB LEU 57 20.880 26.048 18.344
146 HB3 LEU 57 3HB LEU 57 21.444 25.959 16.695
147 HG LEU 57 HG LEU 57 22.340 27.857 18.061
148 HD11 LEU 57 1HD1 LEU 57 22.508 27.848 15.634
149 HD12 LEU 57 2HD1 LEU 57 22.259 29.493 16.229
150 HD13 LEU 57 3HD1 LEU 57 20.907 28.615 15.482
151 HD21 LEU 57 3HD2 LEU 57 21.076 29.894 18.340
152 HD22 LEU 57 1HD2 LEU 57 20.242 28.591 19.191
153 HD23 LEU 57 2HD2 LEU 57 19.625 29.175 17.633
154 H GLN 58 H GLN 58 20.455 25.717 14.704
155 HA GLN 58 HA GLN 58 19.032 23.108 14.595
156 HB2 GLN 58 2HB GLN 58 18.946 23.245 12.204
157 HB3 GLN 58 3HB GLN 58 18.142 24.637 12.946
158 HG2 GLN 58 2HG GLN 58 20.121 26.041 12.450
159 HG3 GLN 58 3HG GLN 58 20.896 24.664 11.649
160 HE21 GLN 58 2HE2 GLN 58 19.469 26.739 8.963
161 HE22 GLN 58 1HE2 GLN 58 20.758 26.835 10.149
162 H ALA 59 H ALA 59 22.064 24.850 13.738
163 HA ALA 59 HA ALA 59 23.420 22.382 13.021
164 HB1 ALA 59 1HB ALA 59 24.515 25.190 13.458
165 HB2 ALA 59 2HB ALA 59 25.346 23.841 12.651
166 HB3 ALA 59 3HB ALA 59 23.891 24.543 11.921
167 H GLU 60 H GLU 60 23.302 24.434 15.909
168 HA GLU 60 HA GLU 60 25.395 22.844 17.285
169 HB2 GLU 60 2HB GLU 60 25.413 25.365 17.122
170 HB3 GLU 60 3HB GLU 60 23.984 25.382 18.162
171 HG2 GLU 60 2HG GLU 60 25.271 24.275 19.958
172 HG3 GLU 60 3HG GLU 60 26.660 24.092 18.886
173 H SER 61 H SER 61 21.942 23.450 17.255
174 HA SER 61 HA SER 61 21.228 22.020 19.673
175 HB2 SER 61 2HB SER 61 19.906 23.831 18.502
176 HB3 SER 61 3HB SER 61 19.586 22.657 17.205
177 HG SER 61 HG SER 61 18.630 21.327 18.843
178 H ALA 62 H ALA 62 22.908 20.817 17.221
179 HA ALA 62 HA ALA 62 21.502 18.196 17.093
180 HB1 ALA 62 1HB ALA 62 21.542 19.314 14.918
181 HB2 ALA 62 2HB ALA 62 23.306 19.522 15.032
182 HB3 ALA 62 3HB ALA 62 22.599 17.896 14.903
183 H SER 63 H SER 63 23.992 19.717 18.668
184 HA SER 63 HA SER 63 25.971 17.517 18.346
185 HB2 SER 63 2HB SER 63 26.273 20.417 19.181
186 HB3 SER 63 3HB SER 63 27.592 19.232 19.080
187 HG SER 63 HG SER 63 27.232 20.627 17.200
188 H CYS 64 H CYS 64 23.869 18.976 20.745
189 HA CYS 64 HA CYS 64 25.364 18.136 23.090
190 HB2 CYS 64 2HB CYS 64 22.663 19.283 22.477
191 HB3 CYS 64 3HB CYS 64 22.938 18.594 24.063
192 H GLY 65 H GLY 65 23.243 16.410 20.902
193 HA2 GLY 65 2HA GLY 65 23.152 13.946 21.252
194 HA3 GLY 65 3HA GLY 65 22.758 14.263 22.940
195 H LYS 66 H LYS 66 20.663 13.937 23.336
196 HA LYS 66 HA LYS 66 18.573 14.977 21.495
197 HB2 LYS 66 2HB LYS 66 18.498 12.308 22.964
198 HB3 LYS 66 3HB LYS 66 17.178 13.048 22.084
199 HG2 LYS 66 2HG LYS 66 17.865 11.603 20.479
200 HG3 LYS 66 3HG LYS 66 18.818 13.006 20.022
201 HD2 LYS 66 2HD LYS 66 20.208 11.039 19.883
202 HD3 LYS 66 3HD LYS 66 20.789 11.982 21.257
203 HE2 LYS 66 2HE LYS 66 19.477 10.492 22.782
204 HE3 LYS 66 3HE LYS 66 18.976 9.538 21.368
205 HZ1 LYS 66 3HZ LYS 66 21.296 9.059 20.980
206 HZ2 LYS 66 1HZ LYS 66 20.826 8.577 22.491
207 HZ3 LYS 66 2HZ LYS 66 21.732 9.947 22.300
208 H GLY 67 H GLY 67 16.590 15.556 22.551
209 HA2 GLY 67 2HA GLY 67 15.283 16.427 24.216
210 HA3 GLY 67 3HA GLY 67 16.304 15.646 25.427
211 H GLN 68 H GLN 68 17.614 17.858 22.983
212 HA GLN 68 HA GLN 68 18.414 19.779 25.083
213 HB2 GLN 68 2HB GLN 68 20.671 19.678 24.036
214 HB3 GLN 68 3HB GLN 68 20.143 18.256 24.917
215 HG2 GLN 68 2HG GLN 68 21.219 17.510 22.944
216 HG3 GLN 68 3HG GLN 68 19.531 17.137 22.817
217 HE21 GLN 68 2HE2 GLN 68 19.527 18.457 19.551
218 HE22 GLN 68 1HE2 GLN 68 19.195 17.076 20.587
219 H LYS 69 H LYS 69 19.397 21.756 24.243
220 HA LYS 69 HA LYS 69 19.416 22.318 21.436
221 HB2 LYS 69 2HB LYS 69 18.058 24.403 21.560
222 HB3 LYS 69 3HB LYS 69 17.102 22.947 21.804
223 HG2 LYS 69 2HG LYS 69 17.072 23.298 24.233
224 HG3 LYS 69 3HG LYS 69 18.144 24.706 24.054
225 HD2 LYS 69 2HD LYS 69 16.336 25.766 22.602
226 HD3 LYS 69 3HD LYS 69 15.295 24.402 23.005
227 HE2 LYS 69 2HE LYS 69 14.750 26.209 24.514
228 HE3 LYS 69 3HE LYS 69 15.606 24.963 25.441
229 HZ1 LYS 69 3HZ LYS 69 16.359 27.182 25.906
230 HZ2 LYS 69 1HZ LYS 69 16.828 27.386 24.333
231 HZ3 LYS 69 2HZ LYS 69 17.577 26.257 25.284
232 H CYS 70 H CYS 70 20.147 24.791 21.208
233 HA CYS 70 HA CYS 70 21.917 25.596 23.432
234 HB2 CYS 70 2HB CYS 70 23.086 24.243 21.503
235 HB3 CYS 70 3HB CYS 70 22.923 25.742 20.589
236 H CYS 71 H CYS 71 22.576 27.854 23.297
237 HA CYS 71 HA CYS 71 20.394 29.619 22.529
238 HB2 CYS 71 2HB CYS 71 23.121 30.159 23.755
239 HB3 CYS 71 3HB CYS 71 21.780 31.294 23.724
240 H VAL 72 H VAL 72 20.933 31.793 21.480
241 HA VAL 72 HA VAL 72 22.430 31.518 18.984
242 HB VAL 72 HB VAL 72 21.743 33.738 18.464
243 HG11 VAL 72 1HG1 VAL 72 20.033 31.957 18.224
244 HG12 VAL 72 2HG1 VAL 72 19.390 32.398 19.825
245 HG13 VAL 72 3HG1 VAL 72 19.341 33.561 18.489
246 HG21 VAL 72 3HG2 VAL 72 22.070 34.964 20.514
247 HG22 VAL 72 1HG2 VAL 72 20.390 35.154 20.017
248 HG23 VAL 72 2HG2 VAL 72 20.798 34.041 21.342
249 H TRP 73 H TRP 73 23.944 33.382 18.380
250 HA TRP 73 HA TRP 73 26.360 33.013 19.623
251 HB2 TRP 73 2HB TRP 73 25.484 35.437 18.005
252 HB3 TRP 73 3HB TRP 73 27.142 34.908 18.271
253 HD1 TRP 73 HD1 TRP 73 24.567 34.758 15.749
254 HE1 TRP 73 HE1 TRP 73 24.950 32.914 14.044
255 HE3 TRP 73 HE3 TRP 73 28.034 32.050 18.321
256 HZ2 TRP 73 HZ2 TRP 73 26.678 30.584 13.756
257 HZ3 TRP 73 HZ3 TRP 73 29.040 30.003 17.314
258 HH2 TRP 73 HH2 TRP 73 28.380 29.279 15.028
259 H LEU 74 H LEU 74 24.367 35.942 19.930
260 HA LEU 74 HA LEU 74 25.957 37.046 22.141
261 HB2 LEU 74 2HB LEU 74 23.337 37.875 20.825
262 HB3 LEU 74 3HB LEU 74 24.123 38.797 22.104
263 HG LEU 74 HG LEU 74 25.417 38.211 19.401
264 HD11 LEU 74 1HD1 LEU 74 23.416 39.615 19.132
265 HD12 LEU 74 2HD1 LEU 74 24.889 40.562 18.868
266 HD13 LEU 74 3HD1 LEU 74 23.999 40.716 20.402
267 HD21 LEU 74 3HD2 LEU 74 26.967 40.045 20.059
268 HD22 LEU 74 1HD2 LEU 74 27.077 38.679 21.174
269 HD23 LEU 74 2HD2 LEU 74 26.180 40.140 21.649
270 H HIS 75 H HIS 75 25.016 37.586 24.221
271 HA HIS 75 HA HIS 75 23.370 35.459 25.343
272 HB2 HIS 75 2HB HIS 75 25.362 36.782 26.437
273 HB3 HIS 75 3HB HIS 75 24.126 37.972 26.840
274 HD1 HIS 75 HD1 HIS 75 25.717 35.041 28.258
275 HD2 HIS 75 HD2 HIS 75 21.762 36.496 28.020
276 HE1 HIS 75 HE1 HIS 75 24.365 33.797 30.058
277 HE2 HIS 75 HE2 HIS 75 21.967 34.692 29.912
Start of MODEL 20
1 H1 LEU 37 H LEU 37 35.190 32.319 17.725
2 HA LEU 37 HA LEU 37 35.969 32.282 20.538
3 HB2 LEU 37 2HB LEU 37 35.853 34.654 20.577
4 HB3 LEU 37 3HB LEU 37 36.944 34.116 19.317
5 HG LEU 37 HG LEU 37 34.661 34.403 17.826
6 HD11 LEU 37 1HD1 LEU 37 33.498 36.453 18.472
7 HD12 LEU 37 2HD1 LEU 37 34.522 36.630 19.911
8 HD13 LEU 37 3HD1 LEU 37 33.367 35.294 19.803
9 HD21 LEU 37 3HD2 LEU 37 35.565 36.573 17.091
10 HD22 LEU 37 1HD2 LEU 37 36.852 35.375 17.281
11 HD23 LEU 37 2HD2 LEU 37 36.625 36.630 18.518
12 H THR 38 H THR 38 33.247 32.281 18.287
13 HA THR 38 HA THR 38 31.349 32.817 20.502
14 HB THR 38 HB THR 38 31.487 34.502 18.697
15 HG1 THR 38 1HG THR 38 29.208 34.470 18.294
16 HG21 THR 38 1HG2 THR 38 30.300 32.372 16.880
17 HG22 THR 38 2HG2 THR 38 31.968 32.968 16.774
18 HG23 THR 38 3HG2 THR 38 30.624 34.068 16.481
19 H GLY 39 H GLY 39 29.258 31.782 20.412
20 HA2 GLY 39 2HA GLY 39 27.755 30.123 20.084
21 HA3 GLY 39 3HA GLY 39 28.764 29.457 18.796
22 H CYS 40 H CYS 40 27.320 28.177 21.027
23 HA CYS 40 HA CYS 40 28.943 27.127 23.049
24 HB2 CYS 40 2HB CYS 40 26.633 25.875 21.523
25 HB3 CYS 40 3HB CYS 40 27.411 25.136 22.907
26 H LYS 41 H LYS 41 28.805 26.155 19.660
27 HA LYS 41 HA LYS 41 30.220 23.756 19.613
28 HB2 LYS 41 2HB LYS 41 30.772 24.369 17.302
29 HB3 LYS 41 3HB LYS 41 29.077 24.672 17.690
30 HG2 LYS 41 2HG LYS 41 29.547 27.091 17.942
31 HG3 LYS 41 3HG LYS 41 31.252 26.825 17.575
32 HD2 LYS 41 2HD LYS 41 28.978 26.085 15.692
33 HD3 LYS 41 3HD LYS 41 29.775 27.654 15.658
34 HE2 LYS 41 2HE LYS 41 31.207 25.000 15.238
35 HE3 LYS 41 3HE LYS 41 30.618 26.047 13.943
36 HZ1 LYS 41 3HZ LYS 41 32.927 26.462 14.359
37 HZ2 LYS 41 1HZ LYS 41 32.646 26.798 15.942
38 HZ3 LYS 41 2HZ LYS 41 32.051 27.792 14.774
39 H GLY 42 H GLY 42 31.501 26.930 20.243
40 HA2 GLY 42 2HA GLY 42 34.294 25.866 20.400
41 HA3 GLY 42 3HA GLY 42 33.913 27.454 19.732
42 H LYS 43 H LYS 43 32.202 26.093 22.542
43 HA LYS 43 HA LYS 43 31.872 26.753 24.605
44 HB2 LYS 43 2HB LYS 43 34.307 25.872 24.467
45 HB3 LYS 43 3HB LYS 43 34.765 27.544 24.831
46 HG2 LYS 43 2HG LYS 43 33.357 27.404 26.913
47 HG3 LYS 43 3HG LYS 43 32.954 25.726 26.496
48 HD2 LYS 43 2HD LYS 43 35.351 25.118 26.648
49 HD3 LYS 43 3HD LYS 43 35.758 26.814 27.009
50 HE2 LYS 43 2HE LYS 43 34.286 26.690 29.035
51 HE3 LYS 43 3HE LYS 43 34.007 24.973 28.698
52 HZ1 LYS 43 3HZ LYS 43 35.764 25.290 30.305
53 HZ2 LYS 43 1HZ LYS 43 36.623 26.218 29.249
54 HZ3 LYS 43 2HZ LYS 43 36.379 24.616 28.935
55 H GLY 44 H GLY 44 31.899 28.966 22.423
56 HA2 GLY 44 2HA GLY 44 32.192 31.486 23.810
57 HA3 GLY 44 3HA GLY 44 31.452 31.184 22.240
58 H GLY 45 H GLY 45 30.218 29.219 24.809
59 HA2 GLY 45 2HA GLY 45 28.256 30.931 25.947
60 HA3 GLY 45 3HA GLY 45 27.539 29.983 24.627
61 H GLU 46 H GLU 46 26.259 29.275 26.591
62 HA GLU 46 HA GLU 46 27.439 26.744 27.603
63 HB2 GLU 46 2HB GLU 46 26.200 28.967 29.162
64 HB3 GLU 46 3HB GLU 46 25.596 27.368 29.554
65 HG2 GLU 46 2HG GLU 46 28.534 28.131 29.508
66 HG3 GLU 46 3HG GLU 46 27.524 28.052 30.956
67 H CYS 47 H CYS 47 26.047 25.140 28.095
68 HA CYS 47 HA CYS 47 23.758 24.945 26.208
69 HB2 CYS 47 2HB CYS 47 25.689 22.918 27.372
70 HB3 CYS 47 3HB CYS 47 24.247 22.467 26.464
71 H ASN 48 H ASN 48 21.810 24.481 26.865
72 HA ASN 48 HA ASN 48 21.200 23.985 29.733
73 HB2 ASN 48 2HB ASN 48 20.444 26.293 27.895
74 HB3 ASN 48 3HB ASN 48 19.351 25.806 29.173
75 HD21 ASN 48 2HD2 ASN 48 22.929 27.606 30.201
76 HD22 ASN 48 1HD2 ASN 48 22.740 26.929 28.597
77 HA PRO 49 HA PRO 49 18.023 21.319 28.107
78 HB2 PRO 49 3HB PRO 49 17.348 20.874 30.279
79 HB3 PRO 49 2HB PRO 49 15.857 21.716 29.758
80 HG2 PRO 49 2HG PRO 49 16.610 23.780 30.705
81 HG3 PRO 49 3HG PRO 49 17.209 22.601 31.918
82 HD2 PRO 49 2HD PRO 49 18.886 24.346 30.721
83 HD3 PRO 49 3HD PRO 49 19.405 22.668 31.031
84 H LEU 50 H LEU 50 15.968 21.294 26.970
85 HA LEU 50 HA LEU 50 15.423 23.557 25.321
86 HB2 LEU 50 2HB LEU 50 13.778 21.092 25.924
87 HB3 LEU 50 3HB LEU 50 13.470 22.193 24.589
88 HG LEU 50 HG LEU 50 16.167 20.797 24.855
89 HD11 LEU 50 1HD1 LEU 50 14.441 19.072 24.967
90 HD12 LEU 50 2HD1 LEU 50 15.262 19.017 23.393
91 HD13 LEU 50 3HD1 LEU 50 13.641 19.739 23.527
92 HD21 LEU 50 3HD2 LEU 50 14.660 21.879 22.445
93 HD22 LEU 50 1HD2 LEU 50 16.262 21.100 22.438
94 HD23 LEU 50 2HD2 LEU 50 16.041 22.649 23.253
95 H ASP 51 H ASP 51 13.993 22.328 28.286
96 HA ASP 51 HA ASP 51 11.705 23.976 28.523
97 HB2 ASP 51 2HB ASP 51 13.496 22.826 30.702
98 HB3 ASP 51 3HB ASP 51 11.851 23.420 30.932
99 H ARG 52 H ARG 52 15.044 24.972 28.755
100 HA ARG 52 HA ARG 52 14.683 27.154 30.591
101 HB2 ARG 52 2HB ARG 52 16.892 25.999 29.890
102 HB3 ARG 52 3HB ARG 52 16.771 26.921 28.386
103 HG2 ARG 52 2HG ARG 52 18.250 28.053 29.889
104 HG3 ARG 52 3HG ARG 52 16.772 29.023 29.861
105 HD2 ARG 52 2HD ARG 52 16.053 28.110 31.995
106 HD3 ARG 52 3HD ARG 52 17.329 26.875 31.958
107 HE ARG 52 HE ARG 52 18.870 28.949 31.878
108 HH11 ARG 52 1HH1 ARG 52 16.011 28.553 33.988
109 HH12 ARG 52 2HH1 ARG 52 16.659 29.625 35.210
110 HH21 ARG 52 2HH2 ARG 52 18.667 30.599 34.963
111 HH22 ARG 52 1HH2 ARG 52 19.629 30.324 33.523
112 H GLN 53 H GLN 53 14.300 29.343 30.167
113 HA GLN 53 HA GLN 53 13.116 30.044 27.583
114 HB2 GLN 53 2HB GLN 53 13.376 31.608 30.179
115 HB3 GLN 53 3HB GLN 53 12.651 32.240 28.697
116 HG2 GLN 53 2HG GLN 53 11.035 30.328 28.701
117 HG3 GLN 53 3HG GLN 53 11.651 29.852 30.288
118 HE21 GLN 53 2HE2 GLN 53 9.671 32.238 32.012
119 HE22 GLN 53 1HE2 GLN 53 10.724 30.841 32.093
120 H CYS 54 H CYS 54 16.140 29.544 27.976
121 HA CYS 54 HA CYS 54 17.369 31.935 26.860
122 HB2 CYS 54 2HB CYS 54 18.096 29.009 27.038
123 HB3 CYS 54 3HB CYS 54 18.905 30.018 25.861
124 H LYS 55 H LYS 55 18.211 31.862 24.591
125 HA LYS 55 HA LYS 55 16.136 31.487 22.624
126 HB2 LYS 55 2HB LYS 55 17.911 33.247 22.627
127 HB3 LYS 55 3HB LYS 55 19.115 32.025 22.230
128 HG2 LYS 55 2HG LYS 55 18.230 31.667 20.089
129 HG3 LYS 55 3HG LYS 55 16.654 32.363 20.481
130 HD2 LYS 55 2HD LYS 55 19.170 34.061 20.357
131 HD3 LYS 55 3HD LYS 55 18.258 33.625 18.924
132 HE2 LYS 55 2HE LYS 55 17.456 35.741 19.482
133 HE3 LYS 55 3HE LYS 55 16.187 34.614 19.976
134 HZ1 LYS 55 3HZ LYS 55 16.618 36.327 21.603
135 HZ2 LYS 55 1HZ LYS 55 18.182 35.849 21.758
136 HZ3 LYS 55 2HZ LYS 55 16.960 34.846 22.237
137 H GLU 56 H GLU 56 16.741 30.261 20.525
138 HA GLU 56 HA GLU 56 18.091 27.675 20.981
139 HB2 GLU 56 2HB GLU 56 15.632 27.456 21.427
140 HB3 GLU 56 3HB GLU 56 15.310 27.912 19.754
141 HG2 GLU 56 2HG GLU 56 16.649 25.951 18.986
142 HG3 GLU 56 3HG GLU 56 16.983 25.520 20.664
143 H LEU 57 H LEU 57 19.765 28.140 19.695
144 HA LEU 57 HA LEU 57 19.690 29.438 17.133
145 HB2 LEU 57 2HB LEU 57 21.718 27.764 18.670
146 HB3 LEU 57 3HB LEU 57 22.058 28.325 17.054
147 HG LEU 57 HG LEU 57 23.130 29.730 18.638
148 HD11 LEU 57 1HD1 LEU 57 22.447 31.923 17.875
149 HD12 LEU 57 2HD1 LEU 57 20.861 31.310 17.374
150 HD13 LEU 57 3HD1 LEU 57 22.336 30.769 16.540
151 HD21 LEU 57 3HD2 LEU 57 20.445 30.568 19.783
152 HD22 LEU 57 1HD2 LEU 57 22.041 31.179 20.234
153 HD23 LEU 57 2HD2 LEU 57 21.625 29.493 20.571
154 H GLN 58 H GLN 58 20.865 28.135 15.224
155 HA GLN 58 HA GLN 58 19.240 25.680 14.766
156 HB2 GLN 58 2HB GLN 58 19.131 26.253 12.461
157 HB3 GLN 58 3HB GLN 58 18.667 27.662 13.418
158 HG2 GLN 58 2HG GLN 58 20.839 28.711 13.038
159 HG3 GLN 58 3HG GLN 58 21.408 27.299 12.143
160 HE21 GLN 58 2HE2 GLN 58 19.495 28.014 9.176
161 HE22 GLN 58 1HE2 GLN 58 20.191 26.707 10.125
162 H ALA 59 H ALA 59 22.442 26.884 14.860
163 HA ALA 59 HA ALA 59 23.503 24.254 13.890
164 HB1 ALA 59 1HB ALA 59 24.827 26.980 13.721
165 HB2 ALA 59 2HB ALA 59 25.447 25.446 13.075
166 HB3 ALA 59 3HB ALA 59 23.978 26.160 12.389
167 H GLU 60 H GLU 60 23.459 26.469 16.626
168 HA GLU 60 HA GLU 60 25.606 24.947 17.988
169 HB2 GLU 60 2HB GLU 60 24.159 27.542 18.647
170 HB3 GLU 60 3HB GLU 60 25.254 26.709 19.730
171 HG2 GLU 60 2HG GLU 60 26.522 28.415 18.743
172 HG3 GLU 60 3HG GLU 60 27.086 26.896 18.051
173 H SER 61 H SER 61 22.107 25.102 17.753
174 HA SER 61 HA SER 61 21.488 24.367 20.442
175 HB2 SER 61 2HB SER 61 19.875 25.376 18.947
176 HB3 SER 61 3HB SER 61 19.953 23.979 17.846
177 HG SER 61 HG SER 61 18.185 23.780 19.197
178 H ALA 62 H ALA 62 21.798 22.367 17.439
179 HA ALA 62 HA ALA 62 21.596 19.846 18.797
180 HB1 ALA 62 1HB ALA 62 21.063 20.106 16.432
181 HB2 ALA 62 2HB ALA 62 22.733 20.603 16.075
182 HB3 ALA 62 3HB ALA 62 22.389 18.949 16.622
183 H SER 63 H SER 63 24.272 22.104 18.439
184 HA SER 63 HA SER 63 26.436 20.247 18.768
185 HB2 SER 63 2HB SER 63 26.616 22.587 17.862
186 HB3 SER 63 3HB SER 63 26.327 23.199 19.499
187 HG SER 63 HG SER 63 28.468 21.547 18.650
188 H CYS 64 H CYS 64 24.183 21.793 21.029
189 HA CYS 64 HA CYS 64 25.690 21.194 23.424
190 HB2 CYS 64 2HB CYS 64 22.848 22.074 22.846
191 HB3 CYS 64 3HB CYS 64 23.401 21.692 24.468
192 H GLY 65 H GLY 65 23.852 19.209 21.344
193 HA2 GLY 65 2HA GLY 65 24.123 16.841 21.643
194 HA3 GLY 65 3HA GLY 65 23.867 17.023 23.376
195 H LYS 66 H LYS 66 22.461 15.142 22.341
196 HA LYS 66 HA LYS 66 19.931 15.729 21.166
197 HB2 LYS 66 2HB LYS 66 21.138 13.566 21.046
198 HB3 LYS 66 3HB LYS 66 20.857 13.319 22.775
199 HG2 LYS 66 2HG LYS 66 18.390 13.340 22.353
200 HG3 LYS 66 3HG LYS 66 18.700 13.634 20.637
201 HD2 LYS 66 2HD LYS 66 18.250 11.310 20.841
202 HD3 LYS 66 3HD LYS 66 19.998 11.445 20.583
203 HE2 LYS 66 2HE LYS 66 20.299 11.271 23.091
204 HE3 LYS 66 3HE LYS 66 18.552 11.027 23.238
205 HZ1 LYS 66 3HZ LYS 66 18.820 9.076 21.813
206 HZ2 LYS 66 1HZ LYS 66 19.655 8.953 23.232
207 HZ3 LYS 66 2HZ LYS 66 20.458 9.279 21.832
208 H GLY 67 H GLY 67 18.370 16.897 22.136
209 HA2 GLY 67 2HA GLY 67 16.657 17.190 23.685
210 HA3 GLY 67 3HA GLY 67 17.542 16.276 24.895
211 H GLN 68 H GLN 68 19.459 18.735 23.339
212 HA GLN 68 HA GLN 68 18.892 20.743 25.470
213 HB2 GLN 68 2HB GLN 68 21.589 19.639 24.589
214 HB3 GLN 68 3HB GLN 68 21.402 21.163 25.462
215 HG2 GLN 68 2HG GLN 68 20.271 19.986 27.320
216 HG3 GLN 68 3HG GLN 68 20.551 18.442 26.498
217 HE21 GLN 68 2HE2 GLN 68 23.783 18.134 27.887
218 HE22 GLN 68 1HE2 GLN 68 22.365 17.364 27.195
219 H LYS 69 H LYS 69 20.005 22.827 24.967
220 HA LYS 69 HA LYS 69 20.383 23.502 22.153
221 HB2 LYS 69 2HB LYS 69 18.780 25.385 22.256
222 HB3 LYS 69 3HB LYS 69 17.998 23.808 22.352
223 HG2 LYS 69 2HG LYS 69 17.699 24.048 24.782
224 HG3 LYS 69 3HG LYS 69 18.571 25.599 24.752
225 HD2 LYS 69 2HD LYS 69 16.806 26.476 23.156
226 HD3 LYS 69 3HD LYS 69 15.922 24.964 23.372
227 HE2 LYS 69 2HE LYS 69 14.914 26.505 24.875
228 HE3 LYS 69 3HE LYS 69 15.921 25.464 25.880
229 HZ1 LYS 69 3HZ LYS 69 17.580 27.170 25.876
230 HZ2 LYS 69 1HZ LYS 69 16.131 27.794 26.384
231 HZ3 LYS 69 2HZ LYS 69 16.680 28.116 24.865
232 H CYS 70 H CYS 70 21.062 25.842 21.951
233 HA CYS 70 HA CYS 70 22.985 26.525 24.125
234 HB2 CYS 70 2HB CYS 70 23.838 25.982 21.838
235 HB3 CYS 70 3HB CYS 70 22.900 27.325 21.195
236 H CYS 71 H CYS 71 22.970 28.550 25.049
237 HA CYS 71 HA CYS 71 20.690 30.349 24.657
238 HB2 CYS 71 2HB CYS 71 23.175 30.476 26.387
239 HB3 CYS 71 3HB CYS 71 21.857 31.640 26.462
240 H VAL 72 H VAL 72 21.372 32.789 24.650
241 HA VAL 72 HA VAL 72 22.449 33.530 22.158
242 HB VAL 72 HB VAL 72 22.250 35.829 23.007
243 HG11 VAL 72 1HG1 VAL 72 19.915 34.042 23.768
244 HG12 VAL 72 2HG1 VAL 72 19.841 35.793 23.554
245 HG13 VAL 72 3HG1 VAL 72 20.264 34.755 22.186
246 HG21 VAL 72 3HG2 VAL 72 21.708 34.583 25.739
247 HG22 VAL 72 1HG2 VAL 72 23.112 35.565 25.287
248 HG23 VAL 72 2HG2 VAL 72 21.505 36.290 25.317
249 H TRP 73 H TRP 73 24.159 35.426 22.028
250 HA TRP 73 HA TRP 73 26.627 34.707 23.494
251 HB2 TRP 73 2HB TRP 73 27.781 34.937 21.293
252 HB3 TRP 73 3HB TRP 73 26.714 33.557 21.418
253 HD1 TRP 73 HD1 TRP 73 24.521 33.511 19.936
254 HE1 TRP 73 HE1 TRP 73 23.820 34.737 17.821
255 HE3 TRP 73 HE3 TRP 73 27.880 37.306 20.127
256 HZ2 TRP 73 HZ2 TRP 73 24.687 37.083 16.315
257 HZ3 TRP 73 HZ3 TRP 73 27.929 39.066 18.350
258 HH2 TRP 73 HH2 TRP 73 26.334 38.953 16.445
259 H LEU 74 H LEU 74 24.490 37.240 22.537
260 HA LEU 74 HA LEU 74 26.384 39.184 23.667
261 HB2 LEU 74 2HB LEU 74 26.578 39.069 21.062
262 HB3 LEU 74 3HB LEU 74 24.999 39.836 21.046
263 HG LEU 74 HG LEU 74 26.083 41.697 22.499
264 HD11 LEU 74 1HD1 LEU 74 28.551 41.894 22.312
265 HD12 LEU 74 2HD1 LEU 74 28.627 40.309 21.512
266 HD13 LEU 74 3HD1 LEU 74 28.109 40.433 23.206
267 HD21 LEU 74 3HD2 LEU 74 27.125 41.232 19.668
268 HD22 LEU 74 1HD2 LEU 74 27.130 42.785 20.535
269 HD23 LEU 74 2HD2 LEU 74 25.595 42.019 20.109
270 H HIS 75 H HIS 75 23.050 38.525 22.509
271 HA HIS 75 HA HIS 75 21.964 40.365 24.569
272 HB2 HIS 75 2HB HIS 75 21.406 40.478 21.574
273 HB3 HIS 75 3HB HIS 75 20.326 41.163 22.779
274 HD1 HIS 75 HD1 HIS 75 23.554 41.945 20.987
275 HD2 HIS 75 HD2 HIS 75 21.205 43.314 24.213
276 HE1 HIS 75 HE1 HIS 75 24.416 44.298 21.585
277 HE2 HIS 75 HE2 HIS 75 22.957 45.131 23.530