Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
588698 | 2ruu RC | 11475 | cing | 1-original | 6 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 H1 GLY 1 1H GLY 1 -25.837 -7.170 -9.529
2 H2 GLY 1 2H GLY 1 -25.046 -8.601 -9.434
3 H3 GLY 1 3H GLY 1 -24.643 -7.517 -10.595
4 HA2 GLY 1 1HA GLY 1 -24.277 -7.127 -7.695
5 HA3 GLY 1 2HA GLY 1 -22.987 -7.515 -8.847
6 H SER 2 H SER 2 -24.095 -5.055 -7.102
7 HA SER 2 HA SER 2 -23.656 -2.934 -9.176
8 HB2 SER 2 1HB SER 2 -25.564 -2.847 -6.819
9 HB3 SER 2 2HB SER 2 -25.346 -1.598 -8.060
10 HG SER 2 HG SER 2 -27.158 -2.945 -8.490
11 H SER 3 H SER 3 -21.851 -4.197 -6.941
12 HA SER 3 HA SER 3 -21.378 -2.226 -4.961
13 HB2 SER 3 1HB SER 3 -19.452 -4.316 -6.037
14 HB3 SER 3 2HB SER 3 -19.332 -3.469 -4.483
15 HG SER 3 HG SER 3 -20.306 -5.542 -4.264
16 H GLY 4 H GLY 4 -19.847 -0.660 -4.670
17 HA2 GLY 4 1HA GLY 4 -18.604 0.634 -7.012
18 HA3 GLY 4 2HA GLY 4 -18.637 1.212 -5.352
19 H SER 5 H SER 5 -16.414 1.759 -5.585
20 HA SER 5 HA SER 5 -14.323 -0.242 -5.903
21 HB2 SER 5 1HB SER 5 -12.817 1.587 -5.333
22 HB3 SER 5 2HB SER 5 -14.001 2.105 -6.541
23 HG SER 5 HG SER 5 -13.791 3.666 -4.895
24 H SER 6 H SER 6 -12.561 -0.334 -4.119
25 HA SER 6 HA SER 6 -13.649 -1.694 -1.845
26 HB2 SER 6 1HB SER 6 -11.310 -1.926 -1.174
27 HB3 SER 6 2HB SER 6 -11.490 -2.235 -2.911
28 HG SER 6 HG SER 6 -9.764 -0.857 -2.692
29 H GLY 7 H GLY 7 -12.857 1.670 -2.300
30 HA2 GLY 7 1HA GLY 7 -13.013 3.502 -0.912
31 HA3 GLY 7 2HA GLY 7 -13.731 2.477 0.332
32 H LYS 8 H LYS 8 -10.696 1.232 -0.630
33 HA LYS 8 HA LYS 8 -9.527 1.723 1.961
34 HB2 LYS 8 1HB LYS 8 -8.538 0.410 -0.582
35 HB3 LYS 8 2HB LYS 8 -7.516 0.574 0.840
36 HG2 LYS 8 1HG LYS 8 -9.013 -0.704 2.220
37 HG3 LYS 8 2HG LYS 8 -10.274 -0.696 0.984
38 HD2 LYS 8 1HD LYS 8 -8.835 -2.058 -0.513
39 HD3 LYS 8 2HD LYS 8 -7.561 -2.062 0.719
40 HE2 LYS 8 1HE LYS 8 -9.101 -3.189 2.312
41 HE3 LYS 8 2HE LYS 8 -10.373 -3.188 1.085
42 HZ1 LYS 8 3HZ LYS 8 -7.765 -4.598 0.824
43 HZ2 LYS 8 1HZ LYS 8 -8.950 -4.604 -0.301
44 HZ3 LYS 8 2HZ LYS 8 -9.195 -5.315 1.146
45 HA PRO 9 HA PRO 9 -7.986 5.701 0.635
46 HB2 PRO 9 1HB PRO 9 -7.093 6.710 3.008
47 HB3 PRO 9 2HB PRO 9 -8.824 6.466 2.644
48 HG2 PRO 9 1HG PRO 9 -6.962 4.657 4.186
49 HG3 PRO 9 2HG PRO 9 -8.593 5.182 4.663
50 HD2 PRO 9 1HD PRO 9 -8.116 2.758 3.460
51 HD3 PRO 9 2HD PRO 9 -9.604 3.686 3.178
52 H TYR 10 H TYR 10 -5.812 3.520 2.482
53 HA TYR 10 HA TYR 10 -3.488 5.138 1.801
54 HB2 TYR 10 1HB TYR 10 -3.643 2.440 3.182
55 HB3 TYR 10 2HB TYR 10 -2.240 3.496 3.092
56 HD1 TYR 10 2HD TYR 10 -2.326 5.786 4.228
57 HD2 TYR 10 1HD TYR 10 -5.344 2.763 4.822
58 HE1 TYR 10 2HE TYR 10 -3.109 6.957 6.287
59 HE2 TYR 10 1HE TYR 10 -6.101 3.905 6.879
60 HH TYR 10 HH TYR 10 -5.801 5.698 8.293
61 H LYS 11 H LYS 11 -3.153 5.120 -0.361
62 HA LYS 11 HA LYS 11 -2.943 2.527 -1.826
63 HB2 LYS 11 1HB LYS 11 -3.270 5.302 -2.997
64 HB3 LYS 11 2HB LYS 11 -3.334 3.752 -3.847
65 HG2 LYS 11 1HG LYS 11 -5.365 3.212 -2.307
66 HG3 LYS 11 2HG LYS 11 -5.357 4.939 -1.918
67 HD2 LYS 11 1HD LYS 11 -5.404 5.389 -4.426
68 HD3 LYS 11 2HD LYS 11 -5.702 3.670 -4.672
69 HE2 LYS 11 1HE LYS 11 -7.465 5.594 -3.078
70 HE3 LYS 11 2HE LYS 11 -7.752 5.081 -4.742
71 HZ1 LYS 11 3HZ LYS 11 -7.899 2.759 -3.869
72 HZ2 LYS 11 1HZ LYS 11 -9.077 3.741 -3.308
73 HZ3 LYS 11 2HZ LYS 11 -7.839 3.357 -2.329
74 H CYS 12 H CYS 12 -1.262 2.027 -3.148
75 HA CYS 12 HA CYS 12 1.346 3.030 -2.468
76 HB2 CYS 12 1HB CYS 12 0.935 0.708 -2.990
77 HB3 CYS 12 2HB CYS 12 0.386 1.134 -4.617
78 HA PRO 13 HA PRO 13 1.483 6.232 -5.678
79 HB2 PRO 13 1HB PRO 13 4.097 6.981 -5.486
80 HB3 PRO 13 2HB PRO 13 2.892 7.352 -4.217
81 HG2 PRO 13 1HG PRO 13 4.874 5.054 -4.285
82 HG3 PRO 13 2HG PRO 13 4.548 6.195 -2.941
83 HD2 PRO 13 1HD PRO 13 3.393 3.722 -3.097
84 HD3 PRO 13 2HD PRO 13 2.516 5.115 -2.404
85 H GLN 14 H GLN 14 3.066 3.164 -5.817
86 HA GLN 14 HA GLN 14 3.857 3.613 -8.680
87 HB2 GLN 14 1HB GLN 14 5.098 1.727 -6.648
88 HB3 GLN 14 2HB GLN 14 5.515 1.835 -8.364
89 HG2 GLN 14 1HG GLN 14 6.137 4.259 -8.001
90 HG3 GLN 14 2HG GLN 14 5.875 4.022 -6.273
91 HE21 GLN 14 1HE2 GLN 14 8.229 4.811 -6.293
92 HE22 GLN 14 2HE2 GLN 14 9.455 3.565 -6.478
93 H CYS 15 H CYS 15 2.010 1.529 -6.521
94 HA CYS 15 HA CYS 15 1.324 -0.269 -8.825
95 HB2 CYS 15 1HB CYS 15 0.831 -0.873 -5.910
96 HB3 CYS 15 2HB CYS 15 0.860 -1.991 -7.270
97 H SER 16 H SER 16 -0.868 -1.342 -8.528
98 HA SER 16 HA SER 16 -3.061 0.573 -8.097
99 HB2 SER 16 1HB SER 16 -4.471 -1.351 -8.799
100 HB3 SER 16 2HB SER 16 -3.211 -0.940 -9.974
101 HG SER 16 HG SER 16 -3.338 -3.209 -9.586
102 H TYR 17 H TYR 17 -1.171 -1.084 -5.993
103 HA TYR 17 HA TYR 17 -2.884 -2.502 -4.246
104 HB2 TYR 17 1HB TYR 17 -0.468 -2.760 -4.260
105 HB3 TYR 17 2HB TYR 17 -0.241 -1.084 -3.798
106 HD1 TYR 17 2HD TYR 17 -1.201 -4.441 -2.614
107 HD2 TYR 17 1HD TYR 17 -0.606 -0.314 -1.470
108 HE1 TYR 17 2HE TYR 17 -1.150 -5.099 -0.208
109 HE2 TYR 17 1HE TYR 17 -0.562 -0.973 0.906
110 HH TYR 17 HH TYR 17 -0.563 -2.722 2.393
111 H ALA 18 H ALA 18 -4.147 -1.956 -2.576
112 HA ALA 18 HA ALA 18 -3.876 0.642 -1.258
113 HB1 ALA 18 1HB ALA 18 -5.614 1.001 -3.007
114 HB2 ALA 18 2HB ALA 18 -6.564 -0.332 -2.313
115 HB3 ALA 18 3HB ALA 18 -6.264 1.142 -1.361
116 H SER 19 H SER 19 -4.538 0.653 0.893
117 HA SER 19 HA SER 19 -5.747 -1.802 2.054
118 HB2 SER 19 1HB SER 19 -3.189 -1.855 2.224
119 HB3 SER 19 2HB SER 19 -3.353 -0.521 3.384
120 HG SER 19 HG SER 19 -4.430 -3.162 3.501
121 H ALA 20 H ALA 20 -6.458 -1.521 4.281
122 HA ALA 20 HA ALA 20 -7.784 1.089 4.712
123 HB1 ALA 20 1HB ALA 20 -9.157 -0.175 6.300
124 HB2 ALA 20 2HB ALA 20 -9.112 -0.992 4.729
125 HB3 ALA 20 3HB ALA 20 -8.131 -1.607 6.081
126 H ILE 21 H ILE 21 -4.855 -0.211 5.630
127 HA ILE 21 HA ILE 21 -4.724 1.361 8.174
128 HB ILE 21 HB ILE 21 -3.617 -1.411 7.621
129 HG12 ILE 21 1HG1 ILE 21 -5.713 -0.484 9.636
130 HG13 ILE 21 2HG1 ILE 21 -6.034 -1.398 8.162
131 HG21 ILE 21 1HG2 ILE 21 -2.722 -1.364 9.927
132 HG22 ILE 21 2HG2 ILE 21 -1.990 -0.141 8.933
133 HG23 ILE 21 3HG2 ILE 21 -3.254 0.325 10.101
134 HD11 ILE 21 3HD1 ILE 21 -4.598 -3.266 9.053
135 HD12 ILE 21 1HD1 ILE 21 -4.571 -2.406 10.614
136 HD13 ILE 21 2HD1 ILE 21 -6.108 -2.956 9.937
137 H LYS 22 H LYS 22 -3.034 2.727 8.304
138 HA LYS 22 HA LYS 22 -1.395 3.324 6.063
139 HB2 LYS 22 1HB LYS 22 -2.097 4.845 7.976
140 HB3 LYS 22 2HB LYS 22 -0.857 4.081 8.970
141 HG2 LYS 22 1HG LYS 22 0.893 4.829 7.378
142 HG3 LYS 22 2HG LYS 22 -0.354 5.517 6.319
143 HD2 LYS 22 1HD LYS 22 -1.028 7.079 8.130
144 HD3 LYS 22 2HD LYS 22 0.226 6.390 9.186
145 HE2 LYS 22 1HE LYS 22 1.969 7.066 7.545
146 HE3 LYS 22 2HE LYS 22 0.721 7.752 6.497
147 HZ1 LYS 22 3HZ LYS 22 0.179 9.323 8.284
148 HZ2 LYS 22 1HZ LYS 22 1.752 9.462 7.880
149 HZ3 LYS 22 2HZ LYS 22 1.333 8.689 9.253
150 H ALA 23 H ALA 23 -0.617 1.420 8.965
151 HA ALA 23 HA ALA 23 2.134 1.008 8.399
152 HB1 ALA 23 1HB ALA 23 0.199 -0.730 9.968
153 HB2 ALA 23 2HB ALA 23 1.974 -0.769 10.064
154 HB3 ALA 23 3HB ALA 23 1.099 0.679 10.595
155 H ASN 24 H ASN 24 -0.727 -0.739 7.146
156 HA ASN 24 HA ASN 24 0.752 -2.950 5.996
157 HB2 ASN 24 1HB ASN 24 -1.941 -1.690 5.313
158 HB3 ASN 24 2HB ASN 24 -1.309 -3.127 4.535
159 HD21 ASN 24 1HD2 ASN 24 -3.679 -3.369 5.602
160 HD22 ASN 24 2HD2 ASN 24 -3.598 -4.366 7.061
161 H LEU 25 H LEU 25 -0.176 0.299 4.757
162 HA LEU 25 HA LEU 25 1.093 -0.070 2.190
163 HB2 LEU 25 1HB LEU 25 -0.670 1.592 2.535
164 HB3 LEU 25 2HB LEU 25 0.319 2.442 3.727
165 HG LEU 25 HG LEU 25 2.000 2.966 1.978
166 HD11 LEU 25 1HD1 LEU 25 1.429 2.610 -0.400
167 HD12 LEU 25 2HD1 LEU 25 0.009 1.647 0.083
168 HD13 LEU 25 3HD1 LEU 25 1.658 1.081 0.433
169 HD21 LEU 25 3HD2 LEU 25 0.157 4.541 2.454
170 HD22 LEU 25 1HD2 LEU 25 -0.795 3.778 1.157
171 HD23 LEU 25 2HD2 LEU 25 0.714 4.621 0.773
172 H ASN 26 H ASN 26 2.225 1.294 5.320
173 HA ASN 26 HA ASN 26 4.803 2.119 4.534
174 HB2 ASN 26 1HB ASN 26 3.681 2.533 6.711
175 HB3 ASN 26 2HB ASN 26 3.930 0.846 7.152
176 HD21 ASN 26 1HD2 ASN 26 4.933 3.540 8.249
177 HD22 ASN 26 2HD2 ASN 26 6.648 3.220 8.454
178 H VAL 27 H VAL 27 3.851 -1.193 5.678
179 HA VAL 27 HA VAL 27 6.394 -2.406 5.172
180 HB VAL 27 HB VAL 27 3.599 -3.572 5.270
181 HG11 VAL 27 1HG1 VAL 27 4.706 -5.785 5.607
182 HG12 VAL 27 2HG1 VAL 27 4.944 -5.159 3.976
183 HG13 VAL 27 3HG1 VAL 27 6.264 -5.051 5.163
184 HG21 VAL 27 3HG2 VAL 27 4.507 -2.603 7.394
185 HG22 VAL 27 1HG2 VAL 27 4.317 -4.357 7.489
186 HG23 VAL 27 2HG2 VAL 27 5.930 -3.651 7.241
187 H HIS 28 H HIS 28 3.569 -1.986 2.987
188 HA HIS 28 HA HIS 28 4.686 -3.440 0.813
189 HB2 HIS 28 1HB HIS 28 2.317 -2.842 0.992
190 HB3 HIS 28 2HB HIS 28 2.701 -1.132 0.857
191 HD1 HIS 28 1HD HIS 28 2.417 -4.257 -1.331
192 HD2 HIS 28 2HD HIS 28 3.300 -0.157 -1.556
193 HE1 HIS 28 1HE HIS 28 2.476 -3.700 -3.808
194 H LEU 29 H LEU 29 5.016 0.016 1.692
195 HA LEU 29 HA LEU 29 6.555 0.793 -0.625
196 HB2 LEU 29 1HB LEU 29 6.338 1.963 2.151
197 HB3 LEU 29 2HB LEU 29 7.212 2.749 0.839
198 HG LEU 29 HG LEU 29 4.327 1.983 0.483
199 HD11 LEU 29 1HD1 LEU 29 5.604 4.450 1.747
200 HD12 LEU 29 2HD1 LEU 29 4.556 3.278 2.558
201 HD13 LEU 29 3HD1 LEU 29 3.870 4.349 1.307
202 HD21 LEU 29 3HD2 LEU 29 6.077 4.127 -0.785
203 HD22 LEU 29 1HD2 LEU 29 4.330 3.946 -1.035
204 HD23 LEU 29 2HD2 LEU 29 5.421 2.673 -1.577
205 H ARG 30 H ARG 30 7.548 -0.645 2.459
206 HA ARG 30 HA ARG 30 10.261 0.091 2.346
207 HB2 ARG 30 1HB ARG 30 8.993 -2.493 3.358
208 HB3 ARG 30 2HB ARG 30 10.703 -2.134 3.586
209 HG2 ARG 30 1HG ARG 30 10.259 -0.226 4.964
210 HG3 ARG 30 2HG ARG 30 8.554 -0.233 4.547
211 HD2 ARG 30 1HD ARG 30 8.496 -2.623 5.593
212 HD3 ARG 30 2HD ARG 30 10.058 -2.178 6.306
213 HE ARG 30 HE ARG 30 7.982 -0.160 6.723
214 HH11 ARG 30 2HH1 ARG 30 9.121 -3.193 8.088
215 HH12 ARG 30 1HH1 ARG 30 8.380 -2.858 9.629
216 HH21 ARG 30 2HH2 ARG 30 7.117 0.194 8.625
217 HH22 ARG 30 1HH2 ARG 30 7.261 -0.954 9.945
218 H LYS 31 H LYS 31 8.557 -2.090 0.319
219 HA LYS 31 HA LYS 31 10.878 -3.387 -0.943
220 HB2 LYS 31 1HB LYS 31 7.927 -3.353 -1.707
221 HB3 LYS 31 2HB LYS 31 9.163 -4.398 -2.403
222 HG2 LYS 31 1HG LYS 31 9.506 -5.537 -0.279
223 HG3 LYS 31 2HG LYS 31 8.389 -4.443 0.556
224 HD2 LYS 31 1HD LYS 31 6.523 -5.202 -0.840
225 HD3 LYS 31 2HD LYS 31 7.583 -6.328 -1.701
226 HE2 LYS 31 1HE LYS 31 7.037 -6.373 1.307
227 HE3 LYS 31 2HE LYS 31 6.160 -7.346 0.123
228 HZ1 LYS 31 3HZ LYS 31 8.269 -8.416 -0.475
229 HZ2 LYS 31 1HZ LYS 31 7.949 -8.626 1.109
230 HZ3 LYS 31 2HZ LYS 31 9.078 -7.546 0.650
231 H HIS 32 H HIS 32 9.027 -0.437 -1.440
232 HA HIS 32 HA HIS 32 10.166 -0.010 -4.146
233 HB2 HIS 32 1HB HIS 32 8.270 1.601 -2.401
234 HB3 HIS 32 2HB HIS 32 8.812 2.088 -4.008
235 HD1 HIS 32 1HD HIS 32 8.372 -0.266 -5.829
236 HD2 HIS 32 2HD HIS 32 5.840 0.701 -2.618
237 HE1 HIS 32 1HE HIS 32 6.176 -1.421 -6.323
238 H THR 33 H THR 33 10.656 1.177 -0.799
239 HA THR 33 HA THR 33 12.369 3.370 -1.625
240 HB THR 33 HB THR 33 12.824 3.629 0.794
241 HG1 THR 33 1HG THR 33 11.765 2.305 2.229
242 HG21 THR 33 3HG2 THR 33 10.848 4.711 -0.216
243 HG22 THR 33 1HG2 THR 33 10.554 4.240 1.466
244 HG23 THR 33 2HG2 THR 33 9.866 3.276 0.143
245 H GLY 34 H GLY 34 13.065 0.022 -1.183
246 HA2 GLY 34 1HA GLY 34 15.809 0.408 -1.979
247 HA3 GLY 34 2HA GLY 34 15.708 -0.046 -0.277
248 H GLU 35 H GLU 35 17.053 -1.622 -2.029
249 HA GLU 35 HA GLU 35 15.623 -4.172 -1.854
250 HB2 GLU 35 1HB GLU 35 15.974 -4.811 -4.167
251 HB3 GLU 35 2HB GLU 35 14.936 -3.395 -4.081
252 HG2 GLU 35 1HG GLU 35 16.792 -1.930 -4.750
253 HG3 GLU 35 2HG GLU 35 17.925 -3.283 -4.698
254 H LYS 36 H LYS 36 17.052 -6.002 -2.523
255 HA LYS 36 HA LYS 36 18.836 -7.308 -2.000
256 HB2 LYS 36 1HB LYS 36 20.392 -5.111 -3.405
257 HB3 LYS 36 2HB LYS 36 20.919 -6.776 -3.133
258 HG2 LYS 36 1HG LYS 36 18.928 -7.563 -4.481
259 HG3 LYS 36 2HG LYS 36 18.599 -5.866 -4.888
260 HD2 LYS 36 1HD LYS 36 20.905 -5.699 -5.886
261 HD3 LYS 36 2HD LYS 36 21.168 -7.397 -5.476
262 HE2 LYS 36 1HE LYS 36 20.577 -7.516 -7.716
263 HE3 LYS 36 2HE LYS 36 19.076 -7.927 -6.883
264 HZ1 LYS 36 3HZ LYS 36 18.689 -6.329 -8.663
265 HZ2 LYS 36 1HZ LYS 36 19.752 -5.266 -8.033
266 HZ3 LYS 36 2HZ LYS 36 18.351 -5.582 -7.254
Start of MODEL 2
1 H1 GLY 1 1H GLY 1 -27.472 -3.861 -2.425
2 H2 GLY 1 2H GLY 1 -28.066 -5.312 -2.902
3 H3 GLY 1 3H GLY 1 -26.448 -5.048 -2.893
4 HA2 GLY 1 1HA GLY 1 -28.173 -5.126 -0.506
5 HA3 GLY 1 2HA GLY 1 -27.079 -6.425 -1.019
6 H SER 2 H SER 2 -27.105 -4.914 1.468
7 HA SER 2 HA SER 2 -25.794 -3.925 2.989
8 HB2 SER 2 1HB SER 2 -23.467 -4.632 1.180
9 HB3 SER 2 2HB SER 2 -23.371 -4.168 2.884
10 HG SER 2 HG SER 2 -23.375 -6.451 2.597
11 H SER 3 H SER 3 -24.290 -2.159 3.582
12 HA SER 3 HA SER 3 -25.120 0.287 2.341
13 HB2 SER 3 1HB SER 3 -22.942 -0.187 4.409
14 HB3 SER 3 2HB SER 3 -23.707 1.367 4.023
15 HG SER 3 HG SER 3 -24.657 0.363 5.865
16 H GLY 4 H GLY 4 -23.880 1.953 1.397
17 HA2 GLY 4 1HA GLY 4 -21.775 1.196 -0.454
18 HA3 GLY 4 2HA GLY 4 -22.380 2.821 -0.145
19 H SER 5 H SER 5 -19.728 2.453 -0.604
20 HA SER 5 HA SER 5 -18.460 3.311 1.925
21 HB2 SER 5 1HB SER 5 -18.127 0.872 1.891
22 HB3 SER 5 2HB SER 5 -17.413 0.978 0.272
23 HG SER 5 HG SER 5 -15.896 0.926 2.087
24 H SER 6 H SER 6 -16.586 4.526 1.653
25 HA SER 6 HA SER 6 -16.069 5.738 -0.983
26 HB2 SER 6 1HB SER 6 -14.507 7.174 0.314
27 HB3 SER 6 2HB SER 6 -16.177 7.219 0.901
28 HG SER 6 HG SER 6 -14.654 7.004 2.615
29 H GLY 7 H GLY 7 -14.963 2.975 0.628
30 HA2 GLY 7 1HA GLY 7 -13.424 1.407 -0.118
31 HA3 GLY 7 2HA GLY 7 -12.842 2.535 -1.334
32 H LYS 8 H LYS 8 -10.860 1.333 -0.553
33 HA LYS 8 HA LYS 8 -9.684 1.868 2.019
34 HB2 LYS 8 1HB LYS 8 -8.622 0.739 -0.583
35 HB3 LYS 8 2HB LYS 8 -7.607 0.919 0.846
36 HG2 LYS 8 1HG LYS 8 -8.932 -0.584 2.145
37 HG3 LYS 8 2HG LYS 8 -10.251 -0.578 0.970
38 HD2 LYS 8 1HD LYS 8 -8.836 -1.716 -0.692
39 HD3 LYS 8 2HD LYS 8 -7.463 -1.672 0.427
40 HE2 LYS 8 1HE LYS 8 -8.738 -3.063 2.047
41 HE3 LYS 8 2HE LYS 8 -10.103 -3.114 0.925
42 HZ1 LYS 8 3HZ LYS 8 -8.678 -4.267 -0.673
43 HZ2 LYS 8 1HZ LYS 8 -8.698 -5.097 0.730
44 HZ3 LYS 8 2HZ LYS 8 -7.394 -4.197 0.336
45 HA PRO 9 HA PRO 9 -8.186 5.927 0.829
46 HB2 PRO 9 1HB PRO 9 -7.213 6.811 3.208
47 HB3 PRO 9 2HB PRO 9 -8.951 6.571 2.901
48 HG2 PRO 9 1HG PRO 9 -7.031 4.732 4.318
49 HG3 PRO 9 2HG PRO 9 -8.676 5.188 4.826
50 HD2 PRO 9 1HD PRO 9 -8.066 2.833 3.471
51 HD3 PRO 9 2HD PRO 9 -9.639 3.657 3.369
52 H TYR 10 H TYR 10 -5.953 3.684 2.549
53 HA TYR 10 HA TYR 10 -3.645 5.280 1.779
54 HB2 TYR 10 1HB TYR 10 -3.737 2.561 3.136
55 HB3 TYR 10 2HB TYR 10 -2.360 3.640 3.049
56 HD1 TYR 10 2HD TYR 10 -2.571 5.985 4.145
57 HD2 TYR 10 1HD TYR 10 -5.322 2.747 4.891
58 HE1 TYR 10 2HE TYR 10 -3.350 7.120 6.219
59 HE2 TYR 10 1HE TYR 10 -6.062 3.856 6.985
60 HH TYR 10 HH TYR 10 -4.748 7.025 8.037
61 H LYS 11 H LYS 11 -2.803 5.142 -0.254
62 HA LYS 11 HA LYS 11 -2.861 2.532 -1.720
63 HB2 LYS 11 1HB LYS 11 -3.394 5.275 -2.912
64 HB3 LYS 11 2HB LYS 11 -3.356 3.726 -3.764
65 HG2 LYS 11 1HG LYS 11 -5.252 2.964 -2.220
66 HG3 LYS 11 2HG LYS 11 -5.378 4.642 -1.680
67 HD2 LYS 11 1HD LYS 11 -5.753 5.349 -4.039
68 HD3 LYS 11 2HD LYS 11 -5.709 3.645 -4.542
69 HE2 LYS 11 1HE LYS 11 -7.623 3.155 -3.029
70 HE3 LYS 11 2HE LYS 11 -7.661 4.844 -2.520
71 HZ1 LYS 11 3HZ LYS 11 -9.297 4.416 -4.259
72 HZ2 LYS 11 1HZ LYS 11 -8.150 3.896 -5.297
73 HZ3 LYS 11 2HZ LYS 11 -8.180 5.460 -4.824
74 H CYS 12 H CYS 12 -1.243 2.073 -3.156
75 HA CYS 12 HA CYS 12 1.363 3.128 -2.524
76 HB2 CYS 12 1HB CYS 12 0.994 0.793 -2.988
77 HB3 CYS 12 2HB CYS 12 0.402 1.170 -4.618
78 HA PRO 13 HA PRO 13 1.429 6.274 -5.786
79 HB2 PRO 13 1HB PRO 13 4.045 7.036 -5.637
80 HB3 PRO 13 2HB PRO 13 2.850 7.427 -4.364
81 HG2 PRO 13 1HG PRO 13 4.846 5.142 -4.413
82 HG3 PRO 13 2HG PRO 13 4.523 6.302 -3.084
83 HD2 PRO 13 1HD PRO 13 3.388 3.817 -3.194
84 HD3 PRO 13 2HD PRO 13 2.508 5.214 -2.509
85 H GLN 14 H GLN 14 3.031 3.215 -5.899
86 HA GLN 14 HA GLN 14 3.805 3.628 -8.772
87 HB2 GLN 14 1HB GLN 14 5.062 1.786 -6.709
88 HB3 GLN 14 2HB GLN 14 5.475 1.862 -8.428
89 HG2 GLN 14 1HG GLN 14 6.091 4.291 -8.119
90 HG3 GLN 14 2HG GLN 14 5.822 4.097 -6.386
91 HE21 GLN 14 1HE2 GLN 14 8.167 4.876 -6.375
92 HE22 GLN 14 2HE2 GLN 14 9.400 3.634 -6.543
93 H CYS 15 H CYS 15 1.972 1.566 -6.583
94 HA CYS 15 HA CYS 15 1.310 -0.283 -8.852
95 HB2 CYS 15 1HB CYS 15 0.882 -0.859 -5.919
96 HB3 CYS 15 2HB CYS 15 0.918 -1.996 -7.263
97 H SER 16 H SER 16 -0.848 -1.405 -8.497
98 HA SER 16 HA SER 16 -3.065 0.501 -8.009
99 HB2 SER 16 1HB SER 16 -3.097 -2.417 -8.866
100 HB3 SER 16 2HB SER 16 -4.515 -1.364 -8.725
101 HG SER 16 HG SER 16 -2.278 -0.948 -10.453
102 H TYR 17 H TYR 17 -1.130 -1.030 -5.941
103 HA TYR 17 HA TYR 17 -2.763 -2.545 -4.175
104 HB2 TYR 17 1HB TYR 17 -0.355 -2.722 -4.160
105 HB3 TYR 17 2HB TYR 17 -0.175 -1.017 -3.785
106 HD1 TYR 17 1HD TYR 17 -0.688 -0.123 -1.505
107 HD2 TYR 17 2HD TYR 17 -0.888 -4.344 -2.412
108 HE1 TYR 17 1HE TYR 17 -0.735 -0.645 0.918
109 HE2 TYR 17 2HE TYR 17 -0.880 -4.856 0.024
110 HH TYR 17 HH TYR 17 -0.814 -3.998 2.140
111 H ALA 18 H ALA 18 -4.050 -2.036 -2.519
112 HA ALA 18 HA ALA 18 -3.910 0.590 -1.237
113 HB1 ALA 18 1HB ALA 18 -6.550 -0.544 -2.257
114 HB2 ALA 18 2HB ALA 18 -6.315 0.968 -1.348
115 HB3 ALA 18 3HB ALA 18 -5.672 0.813 -2.994
116 H SER 19 H SER 19 -4.631 0.608 0.913
117 HA SER 19 HA SER 19 -5.794 -1.850 2.076
118 HB2 SER 19 1HB SER 19 -3.291 -2.021 2.344
119 HB3 SER 19 2HB SER 19 -3.359 -0.570 3.361
120 HG SER 19 HG SER 19 -4.790 -3.023 3.777
121 H ALA 20 H ALA 20 -6.668 -1.560 4.212
122 HA ALA 20 HA ALA 20 -7.778 1.123 4.751
123 HB1 ALA 20 1HB ALA 20 -8.251 -1.576 6.080
124 HB2 ALA 20 2HB ALA 20 -9.163 -0.082 6.376
125 HB3 ALA 20 3HB ALA 20 -9.244 -0.862 4.786
126 H ILE 21 H ILE 21 -4.901 -0.430 5.518
127 HA ILE 21 HA ILE 21 -4.604 1.011 8.129
128 HB ILE 21 HB ILE 21 -3.419 -1.672 7.336
129 HG12 ILE 21 1HG1 ILE 21 -5.655 -1.046 9.318
130 HG13 ILE 21 2HG1 ILE 21 -5.852 -1.857 7.764
131 HG21 ILE 21 1HG2 ILE 21 -1.967 -0.332 8.868
132 HG22 ILE 21 2HG2 ILE 21 -3.325 -0.176 10.002
133 HG23 ILE 21 3HG2 ILE 21 -2.592 -1.757 9.659
134 HD11 ILE 21 3HD1 ILE 21 -4.355 -3.705 8.566
135 HD12 ILE 21 1HD1 ILE 21 -4.413 -2.968 10.189
136 HD13 ILE 21 2HD1 ILE 21 -5.900 -3.544 9.425
137 H LYS 22 H LYS 22 -3.074 2.514 8.140
138 HA LYS 22 HA LYS 22 -1.420 3.147 5.917
139 HB2 LYS 22 1HB LYS 22 -2.258 4.680 7.754
140 HB3 LYS 22 2HB LYS 22 -1.018 4.012 8.816
141 HG2 LYS 22 1HG LYS 22 0.748 4.801 7.249
142 HG3 LYS 22 2HG LYS 22 -0.503 5.416 6.150
143 HD2 LYS 22 1HD LYS 22 -1.285 6.976 7.921
144 HD3 LYS 22 2HD LYS 22 -0.032 6.352 9.018
145 HE2 LYS 22 1HE LYS 22 1.724 7.074 7.407
146 HE3 LYS 22 2HE LYS 22 0.474 7.702 6.325
147 HZ1 LYS 22 3HZ LYS 22 -0.164 9.269 8.085
148 HZ2 LYS 22 1HZ LYS 22 1.412 9.462 7.713
149 HZ3 LYS 22 2HZ LYS 22 0.991 8.687 9.085
150 H ALA 23 H ALA 23 -0.602 1.377 8.896
151 HA ALA 23 HA ALA 23 2.186 1.086 8.442
152 HB1 ALA 23 1HB ALA 23 0.239 -0.773 9.870
153 HB2 ALA 23 2HB ALA 23 2.001 -0.742 10.075
154 HB3 ALA 23 3HB ALA 23 1.031 0.653 10.588
155 H ASN 24 H ASN 24 -0.552 -0.785 7.115
156 HA ASN 24 HA ASN 24 1.063 -2.938 6.065
157 HB2 ASN 24 1HB ASN 24 -1.471 -2.866 6.593
158 HB3 ASN 24 2HB ASN 24 -1.657 -2.016 5.060
159 HD21 ASN 24 1HD2 ASN 24 -3.051 -3.851 4.595
160 HD22 ASN 24 2HD2 ASN 24 -2.343 -5.379 4.062
161 H LEU 25 H LEU 25 -0.176 0.145 4.689
162 HA LEU 25 HA LEU 25 1.099 -0.123 2.133
163 HB2 LEU 25 1HB LEU 25 -0.700 1.485 2.502
164 HB3 LEU 25 2HB LEU 25 0.249 2.329 3.727
165 HG LEU 25 HG LEU 25 1.923 2.982 2.017
166 HD11 LEU 25 1HD1 LEU 25 1.405 2.678 -0.380
167 HD12 LEU 25 2HD1 LEU 25 0.006 1.661 0.052
168 HD13 LEU 25 3HD1 LEU 25 1.664 1.127 0.409
169 HD21 LEU 25 3HD2 LEU 25 0.572 4.613 0.840
170 HD22 LEU 25 1HD2 LEU 25 0.023 4.465 2.519
171 HD23 LEU 25 2HD2 LEU 25 -0.900 3.695 1.207
172 H ASN 26 H ASN 26 2.268 1.253 5.268
173 HA ASN 26 HA ASN 26 4.765 2.175 4.304
174 HB2 ASN 26 1HB ASN 26 3.751 2.644 6.553
175 HB3 ASN 26 2HB ASN 26 4.172 1.003 7.046
176 HD21 ASN 26 1HD2 ASN 26 5.316 2.276 8.785
177 HD22 ASN 26 2HD2 ASN 26 6.947 2.815 8.415
178 H VAL 27 H VAL 27 3.984 -1.127 5.592
179 HA VAL 27 HA VAL 27 6.574 -2.247 5.026
180 HB VAL 27 HB VAL 27 3.815 -3.532 5.223
181 HG11 VAL 27 1HG1 VAL 27 5.028 -5.679 5.619
182 HG12 VAL 27 2HG1 VAL 27 5.215 -5.097 3.967
183 HG13 VAL 27 3HG1 VAL 27 6.545 -4.890 5.132
184 HG21 VAL 27 3HG2 VAL 27 4.690 -2.467 7.309
185 HG22 VAL 27 1HG2 VAL 27 4.599 -4.226 7.452
186 HG23 VAL 27 2HG2 VAL 27 6.169 -3.437 7.166
187 H HIS 28 H HIS 28 3.660 -1.937 2.930
188 HA HIS 28 HA HIS 28 4.788 -3.363 0.737
189 HB2 HIS 28 1HB HIS 28 2.402 -2.857 0.911
190 HB3 HIS 28 2HB HIS 28 2.717 -1.131 0.805
191 HD1 HIS 28 1HD HIS 28 2.538 -4.219 -1.438
192 HD2 HIS 28 2HD HIS 28 3.346 -0.100 -1.587
193 HE1 HIS 28 1HE HIS 28 2.632 -3.625 -3.904
194 H LEU 29 H LEU 29 4.981 0.108 1.603
195 HA LEU 29 HA LEU 29 6.566 0.922 -0.675
196 HB2 LEU 29 1HB LEU 29 6.235 2.096 2.090
197 HB3 LEU 29 2HB LEU 29 7.148 2.884 0.807
198 HG LEU 29 HG LEU 29 4.277 2.094 0.369
199 HD11 LEU 29 1HD1 LEU 29 3.779 4.467 1.132
200 HD12 LEU 29 2HD1 LEU 29 5.502 4.601 1.609
201 HD13 LEU 29 3HD1 LEU 29 4.446 3.441 2.427
202 HD21 LEU 29 3HD2 LEU 29 6.073 4.215 -0.884
203 HD22 LEU 29 1HD2 LEU 29 4.332 4.053 -1.171
204 HD23 LEU 29 2HD2 LEU 29 5.417 2.759 -1.673
205 H ARG 30 H ARG 30 7.475 -0.425 2.503
206 HA ARG 30 HA ARG 30 10.185 0.282 2.383
207 HB2 ARG 30 1HB ARG 30 8.807 -2.128 3.631
208 HB3 ARG 30 2HB ARG 30 10.556 -1.934 3.721
209 HG2 ARG 30 1HG ARG 30 10.351 0.196 4.864
210 HG3 ARG 30 2HG ARG 30 8.611 0.193 4.691
211 HD2 ARG 30 1HD ARG 30 9.134 -0.469 6.945
212 HD3 ARG 30 2HD ARG 30 8.472 -1.857 6.094
213 HE ARG 30 HE ARG 30 10.500 -2.975 6.269
214 HH11 ARG 30 2HH1 ARG 30 11.086 0.341 7.254
215 HH12 ARG 30 1HH1 ARG 30 12.674 -0.031 7.865
216 HH21 ARG 30 2HH2 ARG 30 12.531 -3.369 7.059
217 HH22 ARG 30 1HH2 ARG 30 13.463 -2.076 7.754
218 H LYS 31 H LYS 31 8.486 -2.049 0.483
219 HA LYS 31 HA LYS 31 10.830 -3.408 -0.655
220 HB2 LYS 31 1HB LYS 31 7.939 -3.358 -1.618
221 HB3 LYS 31 2HB LYS 31 9.212 -4.446 -2.164
222 HG2 LYS 31 1HG LYS 31 9.385 -5.421 0.108
223 HG3 LYS 31 2HG LYS 31 8.097 -4.343 0.678
224 HD2 LYS 31 1HD LYS 31 6.515 -5.342 -0.940
225 HD3 LYS 31 2HD LYS 31 7.797 -6.435 -1.516
226 HE2 LYS 31 1HE LYS 31 8.021 -7.351 0.798
227 HE3 LYS 31 2HE LYS 31 6.711 -6.292 1.337
228 HZ1 LYS 31 3HZ LYS 31 6.446 -8.432 -0.715
229 HZ2 LYS 31 1HZ LYS 31 5.230 -7.457 -0.223
230 HZ3 LYS 31 2HZ LYS 31 5.895 -8.523 0.817
231 H HIS 32 H HIS 32 8.928 -0.509 -1.423
232 HA HIS 32 HA HIS 32 10.220 -0.163 -4.049
233 HB2 HIS 32 1HB HIS 32 8.371 1.565 -2.371
234 HB3 HIS 32 2HB HIS 32 8.999 2.034 -3.953
235 HD1 HIS 32 1HD HIS 32 8.489 -0.270 -5.817
236 HD2 HIS 32 2HD HIS 32 5.905 0.802 -2.682
237 HE1 HIS 32 1HE HIS 32 6.247 -1.280 -6.407
238 H THR 33 H THR 33 10.679 1.117 -0.723
239 HA THR 33 HA THR 33 12.729 3.016 -1.610
240 HB THR 33 HB THR 33 13.001 3.527 0.769
241 HG1 THR 33 1HG THR 33 11.679 2.527 2.260
242 HG21 THR 33 3HG2 THR 33 11.208 4.654 -0.535
243 HG22 THR 33 1HG2 THR 33 10.794 4.476 1.179
244 HG23 THR 33 2HG2 THR 33 10.058 3.399 -0.026
245 H GLY 34 H GLY 34 12.779 -0.253 -0.244
246 HA2 GLY 34 1HA GLY 34 15.592 -0.375 0.335
247 HA3 GLY 34 2HA GLY 34 14.524 -1.746 0.043
248 H GLU 35 H GLU 35 17.301 -1.298 -0.837
249 HA GLU 35 HA GLU 35 17.002 -1.962 -3.690
250 HB2 GLU 35 1HB GLU 35 18.625 -0.335 -4.457
251 HB3 GLU 35 2HB GLU 35 17.241 0.476 -3.735
252 HG2 GLU 35 1HG GLU 35 18.551 0.861 -1.648
253 HG3 GLU 35 2HG GLU 35 19.938 0.043 -2.371
254 H LYS 36 H LYS 36 19.017 -2.732 -4.670
255 HA LYS 36 HA LYS 36 21.091 -3.804 -2.828
256 HB2 LYS 36 1HB LYS 36 19.503 -5.450 -4.845
257 HB3 LYS 36 2HB LYS 36 21.018 -5.965 -4.096
258 HG2 LYS 36 1HG LYS 36 19.967 -5.785 -1.842
259 HG3 LYS 36 2HG LYS 36 18.426 -5.353 -2.613
260 HD2 LYS 36 1HD LYS 36 18.392 -7.533 -3.796
261 HD3 LYS 36 2HD LYS 36 19.967 -7.938 -3.107
262 HE2 LYS 36 1HE LYS 36 18.326 -9.105 -1.831
263 HE3 LYS 36 2HE LYS 36 18.994 -7.827 -0.814
264 HZ1 LYS 36 3HZ LYS 36 16.565 -7.952 -0.660
265 HZ2 LYS 36 1HZ LYS 36 16.396 -7.674 -2.258
266 HZ3 LYS 36 2HZ LYS 36 16.995 -6.508 -1.279
Start of MODEL 3
1 H1 GLY 1 1H GLY 1 -11.819 -11.332 -10.554
2 H2 GLY 1 2H GLY 1 -11.063 -12.570 -9.791
3 H3 GLY 1 3H GLY 1 -10.694 -11.024 -9.401
4 HA2 GLY 1 1HA GLY 1 -12.910 -10.647 -8.531
5 HA3 GLY 1 2HA GLY 1 -13.296 -12.329 -8.938
6 H SER 2 H SER 2 -13.815 -12.644 -6.700
7 HA SER 2 HA SER 2 -13.491 -13.219 -4.541
8 HB2 SER 2 1HB SER 2 -10.871 -14.350 -5.561
9 HB3 SER 2 2HB SER 2 -11.725 -14.822 -4.080
10 HG SER 2 HG SER 2 -12.186 -16.234 -5.835
11 H SER 3 H SER 3 -12.842 -10.538 -4.946
12 HA SER 3 HA SER 3 -10.942 -10.000 -2.725
13 HB2 SER 3 1HB SER 3 -9.932 -8.162 -4.019
14 HB3 SER 3 2HB SER 3 -9.641 -9.745 -4.755
15 HG SER 3 HG SER 3 -10.275 -8.160 -6.300
16 H GLY 4 H GLY 4 -11.159 -7.901 -1.753
17 HA2 GLY 4 1HA GLY 4 -13.916 -7.125 -1.342
18 HA3 GLY 4 2HA GLY 4 -12.497 -6.394 -0.602
19 H SER 5 H SER 5 -14.969 -5.232 -1.805
20 HA SER 5 HA SER 5 -13.914 -3.560 -4.026
21 HB2 SER 5 1HB SER 5 -16.297 -3.109 -4.479
22 HB3 SER 5 2HB SER 5 -15.904 -4.834 -4.514
23 HG SER 5 HG SER 5 -17.832 -4.396 -3.324
24 H SER 6 H SER 6 -13.948 -3.197 -0.783
25 HA SER 6 HA SER 6 -15.291 -0.709 -0.363
26 HB2 SER 6 1HB SER 6 -14.719 -2.384 1.396
27 HB3 SER 6 2HB SER 6 -13.019 -1.881 1.275
28 HG SER 6 HG SER 6 -14.221 -0.783 2.944
29 H GLY 7 H GLY 7 -14.476 1.358 0.076
30 HA2 GLY 7 1HA GLY 7 -12.476 2.345 -1.790
31 HA3 GLY 7 2HA GLY 7 -13.456 3.294 -0.674
32 H LYS 8 H LYS 8 -10.820 0.885 -0.529
33 HA LYS 8 HA LYS 8 -9.658 1.592 1.937
34 HB2 LYS 8 1HB LYS 8 -8.559 0.293 -0.569
35 HB3 LYS 8 2HB LYS 8 -7.567 0.510 0.869
36 HG2 LYS 8 1HG LYS 8 -9.014 -0.839 2.226
37 HG3 LYS 8 2HG LYS 8 -10.270 -0.884 0.980
38 HD2 LYS 8 1HD LYS 8 -8.794 -2.173 -0.514
39 HD3 LYS 8 2HD LYS 8 -7.487 -2.091 0.681
40 HE2 LYS 8 1HE LYS 8 -8.912 -3.313 2.317
41 HE3 LYS 8 2HE LYS 8 -10.201 -3.413 1.112
42 HZ1 LYS 8 3HZ LYS 8 -8.699 -4.720 -0.296
43 HZ2 LYS 8 1HZ LYS 8 -8.857 -5.445 1.159
44 HZ3 LYS 8 2HZ LYS 8 -7.496 -4.617 0.805
45 HA PRO 9 HA PRO 9 -8.117 5.577 0.660
46 HB2 PRO 9 1HB PRO 9 -7.254 6.576 3.044
47 HB3 PRO 9 2HB PRO 9 -8.977 6.296 2.673
48 HG2 PRO 9 1HG PRO 9 -7.078 4.518 4.203
49 HG3 PRO 9 2HG PRO 9 -8.725 4.997 4.677
50 HD2 PRO 9 1HD PRO 9 -8.168 2.599 3.448
51 HD3 PRO 9 2HD PRO 9 -9.689 3.481 3.180
52 H TYR 10 H TYR 10 -5.895 3.426 2.495
53 HA TYR 10 HA TYR 10 -3.609 5.102 1.831
54 HB2 TYR 10 1HB TYR 10 -3.702 2.395 3.196
55 HB3 TYR 10 2HB TYR 10 -2.321 3.480 3.113
56 HD1 TYR 10 2HD TYR 10 -2.476 5.777 4.242
57 HD2 TYR 10 1HD TYR 10 -5.408 2.672 4.835
58 HE1 TYR 10 2HE TYR 10 -3.295 6.935 6.289
59 HE2 TYR 10 1HE TYR 10 -6.197 3.801 6.894
60 HH TYR 10 HH TYR 10 -4.776 6.893 8.042
61 H LYS 11 H LYS 11 -3.190 5.099 -0.330
62 HA LYS 11 HA LYS 11 -2.946 2.500 -1.788
63 HB2 LYS 11 1HB LYS 11 -3.502 5.248 -2.945
64 HB3 LYS 11 2HB LYS 11 -3.424 3.713 -3.819
65 HG2 LYS 11 1HG LYS 11 -5.322 2.895 -2.301
66 HG3 LYS 11 2HG LYS 11 -5.493 4.566 -1.754
67 HD2 LYS 11 1HD LYS 11 -5.867 5.283 -4.106
68 HD3 LYS 11 2HD LYS 11 -5.752 3.588 -4.630
69 HE2 LYS 11 1HE LYS 11 -7.668 3.006 -3.155
70 HE3 LYS 11 2HE LYS 11 -7.781 4.687 -2.627
71 HZ1 LYS 11 3HZ LYS 11 -8.181 3.756 -5.424
72 HZ2 LYS 11 1HZ LYS 11 -8.283 5.311 -4.933
73 HZ3 LYS 11 2HZ LYS 11 -9.368 4.215 -4.403
74 H CYS 12 H CYS 12 -1.286 2.048 -3.140
75 HA CYS 12 HA CYS 12 1.293 3.130 -2.483
76 HB2 CYS 12 1HB CYS 12 0.961 0.799 -3.018
77 HB3 CYS 12 2HB CYS 12 0.388 1.217 -4.638
78 HA PRO 13 HA PRO 13 1.312 6.391 -5.616
79 HB2 PRO 13 1HB PRO 13 3.915 7.192 -5.451
80 HB3 PRO 13 2HB PRO 13 2.719 7.516 -4.161
81 HG2 PRO 13 1HG PRO 13 4.744 5.260 -4.296
82 HG3 PRO 13 2HG PRO 13 4.417 6.372 -2.927
83 HD2 PRO 13 1HD PRO 13 3.308 3.882 -3.098
84 HD3 PRO 13 2HD PRO 13 2.403 5.247 -2.387
85 H GLN 14 H GLN 14 2.948 3.362 -5.855
86 HA GLN 14 HA GLN 14 3.628 3.884 -8.733
87 HB2 GLN 14 1HB GLN 14 5.036 2.024 -6.785
88 HB3 GLN 14 2HB GLN 14 5.379 2.186 -8.513
89 HG2 GLN 14 1HG GLN 14 5.794 4.690 -8.051
90 HG3 GLN 14 2HG GLN 14 5.814 4.260 -6.336
91 HE21 GLN 14 1HE2 GLN 14 7.384 2.222 -5.879
92 HE22 GLN 14 2HE2 GLN 14 8.920 2.338 -6.720
93 H CYS 15 H CYS 15 1.983 1.671 -6.532
94 HA CYS 15 HA CYS 15 1.299 -0.118 -8.843
95 HB2 CYS 15 1HB CYS 15 0.859 -0.752 -5.926
96 HB3 CYS 15 2HB CYS 15 0.895 -1.859 -7.294
97 H SER 16 H SER 16 -0.855 -1.251 -8.553
98 HA SER 16 HA SER 16 -3.103 0.592 -8.089
99 HB2 SER 16 1HB SER 16 -4.459 -1.371 -8.796
100 HB3 SER 16 2HB SER 16 -3.221 -0.912 -9.976
101 HG SER 16 HG SER 16 -3.273 -3.186 -9.605
102 H TYR 17 H TYR 17 -1.147 -1.009 -6.010
103 HA TYR 17 HA TYR 17 -2.791 -2.505 -4.266
104 HB2 TYR 17 1HB TYR 17 -0.367 -2.671 -4.293
105 HB3 TYR 17 2HB TYR 17 -0.204 -0.991 -3.821
106 HD1 TYR 17 2HD TYR 17 -1.018 -4.391 -2.652
107 HD2 TYR 17 1HD TYR 17 -0.602 -0.247 -1.498
108 HE1 TYR 17 2HE TYR 17 -0.947 -5.053 -0.247
109 HE2 TYR 17 1HE TYR 17 -0.536 -0.910 0.880
110 HH TYR 17 HH TYR 17 -0.478 -2.660 2.363
111 H ALA 18 H ALA 18 -4.042 -2.036 -2.568
112 HA ALA 18 HA ALA 18 -3.965 0.601 -1.284
113 HB1 ALA 18 1HB ALA 18 -6.560 -0.625 -2.307
114 HB2 ALA 18 2HB ALA 18 -6.374 0.908 -1.419
115 HB3 ALA 18 3HB ALA 18 -5.716 0.746 -3.059
116 H SER 19 H SER 19 -4.555 0.580 0.880
117 HA SER 19 HA SER 19 -5.671 -1.906 2.065
118 HB2 SER 19 1HB SER 19 -3.110 -1.874 2.220
119 HB3 SER 19 2HB SER 19 -3.312 -0.542 3.374
120 HG SER 19 HG SER 19 -4.302 -3.216 3.506
121 H ALA 20 H ALA 20 -6.381 -1.640 4.290
122 HA ALA 20 HA ALA 20 -7.779 0.933 4.722
123 HB1 ALA 20 1HB ALA 20 -9.108 -0.365 6.320
124 HB2 ALA 20 2HB ALA 20 -9.048 -1.185 4.750
125 HB3 ALA 20 3HB ALA 20 -8.043 -1.770 6.099
126 H ILE 21 H ILE 21 -4.805 -0.270 5.618
127 HA ILE 21 HA ILE 21 -4.700 1.310 8.157
128 HB ILE 21 HB ILE 21 -3.522 -1.433 7.606
129 HG12 ILE 21 1HG1 ILE 21 -5.622 -0.556 9.638
130 HG13 ILE 21 2HG1 ILE 21 -5.933 -1.485 8.172
131 HG21 ILE 21 1HG2 ILE 21 -1.917 -0.116 8.896
132 HG22 ILE 21 2HG2 ILE 21 -3.180 0.322 10.075
133 HG23 ILE 21 3HG2 ILE 21 -2.605 -1.352 9.904
134 HD11 ILE 21 3HD1 ILE 21 -5.944 -3.037 9.953
135 HD12 ILE 21 1HD1 ILE 21 -4.436 -3.308 9.056
136 HD13 ILE 21 2HD1 ILE 21 -4.418 -2.441 10.613
137 H LYS 22 H LYS 22 -3.042 2.721 8.270
138 HA LYS 22 HA LYS 22 -1.432 3.349 6.015
139 HB2 LYS 22 1HB LYS 22 -2.157 4.862 7.924
140 HB3 LYS 22 2HB LYS 22 -0.896 4.130 8.915
141 HG2 LYS 22 1HG LYS 22 0.828 4.906 7.305
142 HG3 LYS 22 2HG LYS 22 -0.442 5.571 6.258
143 HD2 LYS 22 1HD LYS 22 -1.124 7.121 8.077
144 HD3 LYS 22 2HD LYS 22 0.150 6.453 9.121
145 HE2 LYS 22 1HE LYS 22 1.867 7.158 7.464
146 HE3 LYS 22 2HE LYS 22 0.598 7.825 6.429
147 HZ1 LYS 22 3HZ LYS 22 1.221 8.769 9.180
148 HZ2 LYS 22 1HZ LYS 22 0.049 9.386 8.224
149 HZ3 LYS 22 2HZ LYS 22 1.616 9.550 7.804
150 H ALA 23 H ALA 23 -0.584 1.485 8.924
151 HA ALA 23 HA ALA 23 2.172 1.137 8.353
152 HB1 ALA 23 1HB ALA 23 1.136 0.767 10.548
153 HB2 ALA 23 2HB ALA 23 0.277 -0.661 9.907
154 HB3 ALA 23 3HB ALA 23 2.052 -0.654 10.009
155 H ASN 24 H ASN 24 -0.646 -0.691 7.109
156 HA ASN 24 HA ASN 24 0.890 -2.856 5.953
157 HB2 ASN 24 1HB ASN 24 -1.841 -1.676 5.283
158 HB3 ASN 24 2HB ASN 24 -1.175 -3.098 4.508
159 HD21 ASN 24 1HD2 ASN 24 -3.533 -3.394 5.600
160 HD22 ASN 24 2HD2 ASN 24 -3.411 -4.383 7.060
161 H LEU 25 H LEU 25 -0.131 0.362 4.703
162 HA LEU 25 HA LEU 25 1.136 0.021 2.133
163 HB2 LEU 25 1HB LEU 25 -0.661 1.632 2.465
164 HB3 LEU 25 2HB LEU 25 0.283 2.498 3.681
165 HG LEU 25 HG LEU 25 1.960 3.127 1.974
166 HD11 LEU 25 1HD1 LEU 25 0.090 1.720 0.017
167 HD12 LEU 25 2HD1 LEU 25 1.753 1.231 0.411
168 HD13 LEU 25 3HD1 LEU 25 1.477 2.754 -0.417
169 HD21 LEU 25 3HD2 LEU 25 0.031 4.597 2.419
170 HD22 LEU 25 1HD2 LEU 25 -0.868 3.782 1.119
171 HD23 LEU 25 2HD2 LEU 25 0.593 4.713 0.743
172 H ASN 26 H ASN 26 2.246 1.408 5.257
173 HA ASN 26 HA ASN 26 4.801 2.289 4.438
174 HB2 ASN 26 1HB ASN 26 3.641 2.691 6.616
175 HB3 ASN 26 2HB ASN 26 4.010 1.036 7.091
176 HD21 ASN 26 1HD2 ASN 26 4.821 3.754 8.188
177 HD22 ASN 26 2HD2 ASN 26 6.566 3.614 8.316
178 H VAL 27 H VAL 27 3.909 -1.026 5.614
179 HA VAL 27 HA VAL 27 6.471 -2.207 5.091
180 HB VAL 27 HB VAL 27 3.690 -3.408 5.235
181 HG11 VAL 27 1HG1 VAL 27 5.037 -4.994 3.947
182 HG12 VAL 27 2HG1 VAL 27 6.373 -4.855 5.116
183 HG13 VAL 27 3HG1 VAL 27 4.830 -5.603 5.587
184 HG21 VAL 27 3HG2 VAL 27 4.607 -2.408 7.340
185 HG22 VAL 27 1HG2 VAL 27 4.447 -4.163 7.455
186 HG23 VAL 27 2HG2 VAL 27 6.045 -3.432 7.181
187 H HIS 28 H HIS 28 3.610 -1.838 2.932
188 HA HIS 28 HA HIS 28 4.738 -3.290 0.763
189 HB2 HIS 28 1HB HIS 28 2.368 -2.714 0.917
190 HB3 HIS 28 2HB HIS 28 2.735 -0.999 0.797
191 HD1 HIS 28 1HD HIS 28 2.506 -4.114 -1.416
192 HD2 HIS 28 2HD HIS 28 3.357 -0.005 -1.606
193 HE1 HIS 28 1HE HIS 28 2.602 -3.543 -3.889
194 H LEU 29 H LEU 29 5.034 0.175 1.619
195 HA LEU 29 HA LEU 29 6.642 0.928 -0.667
196 HB2 LEU 29 1HB LEU 29 6.354 2.115 2.088
197 HB3 LEU 29 2HB LEU 29 7.256 2.892 0.793
198 HG LEU 29 HG LEU 29 4.356 2.164 0.416
199 HD11 LEU 29 1HD1 LEU 29 4.586 3.474 2.487
200 HD12 LEU 29 2HD1 LEU 29 3.926 4.538 1.220
201 HD13 LEU 29 3HD1 LEU 29 5.657 4.625 1.675
202 HD21 LEU 29 3HD2 LEU 29 6.181 4.255 -0.846
203 HD22 LEU 29 1HD2 LEU 29 4.432 4.117 -1.129
204 HD23 LEU 29 2HD2 LEU 29 5.503 2.815 -1.634
205 H ARG 30 H ARG 30 7.506 -0.467 2.502
206 HA ARG 30 HA ARG 30 10.249 0.194 2.391
207 HB2 ARG 30 1HB ARG 30 8.864 -2.236 3.604
208 HB3 ARG 30 2HB ARG 30 10.597 -1.970 3.776
209 HG2 ARG 30 1HG ARG 30 10.291 0.082 4.990
210 HG3 ARG 30 2HG ARG 30 8.570 0.108 4.642
211 HD2 ARG 30 1HD ARG 30 8.488 -2.201 5.875
212 HD3 ARG 30 2HD ARG 30 10.090 -1.746 6.487
213 HE ARG 30 HE ARG 30 8.040 0.331 6.809
214 HH11 ARG 30 2HH1 ARG 30 9.293 -2.539 8.407
215 HH12 ARG 30 1HH1 ARG 30 8.651 -2.046 9.950
216 HH21 ARG 30 2HH2 ARG 30 7.304 0.886 8.729
217 HH22 ARG 30 1HH2 ARG 30 7.542 -0.123 10.140
218 H LYS 31 H LYS 31 8.470 -2.094 0.509
219 HA LYS 31 HA LYS 31 10.765 -3.526 -0.642
220 HB2 LYS 31 1HB LYS 31 7.898 -3.283 -1.647
221 HB3 LYS 31 2HB LYS 31 9.120 -4.410 -2.228
222 HG2 LYS 31 1HG LYS 31 9.206 -5.534 -0.054
223 HG3 LYS 31 2HG LYS 31 8.052 -4.379 0.637
224 HD2 LYS 31 1HD LYS 31 6.327 -5.083 -0.965
225 HD3 LYS 31 2HD LYS 31 7.430 -6.274 -1.671
226 HE2 LYS 31 1HE LYS 31 6.529 -6.224 1.251
227 HE3 LYS 31 2HE LYS 31 5.756 -7.187 -0.011
228 HZ1 LYS 31 3HZ LYS 31 7.355 -8.518 1.204
229 HZ2 LYS 31 1HZ LYS 31 8.579 -7.497 0.863
230 HZ3 LYS 31 2HZ LYS 31 7.870 -8.358 -0.333
231 H HIS 32 H HIS 32 8.800 -0.646 -1.504
232 HA HIS 32 HA HIS 32 10.160 -0.234 -4.029
233 HB2 HIS 32 1HB HIS 32 8.394 1.533 -2.316
234 HB3 HIS 32 2HB HIS 32 9.030 2.008 -3.892
235 HD1 HIS 32 1HD HIS 32 8.567 -0.608 -5.574
236 HD2 HIS 32 2HD HIS 32 5.876 1.011 -2.760
237 HE1 HIS 32 1HE HIS 32 6.268 -1.441 -6.252
238 H THR 33 H THR 33 10.805 0.983 -0.720
239 HA THR 33 HA THR 33 13.092 2.572 -1.655
240 HB THR 33 HB THR 33 13.702 2.744 0.713
241 HG1 THR 33 1HG THR 33 12.389 1.831 2.254
242 HG21 THR 33 3HG2 THR 33 10.723 3.237 0.270
243 HG22 THR 33 1HG2 THR 33 12.032 4.316 -0.262
244 HG23 THR 33 2HG2 THR 33 11.771 4.028 1.467
245 H GLY 34 H GLY 34 12.632 -0.765 -0.582
246 HA2 GLY 34 1HA GLY 34 15.436 -1.395 -0.317
247 HA3 GLY 34 2HA GLY 34 14.073 -2.508 -0.283
248 H GLU 35 H GLU 35 13.292 -1.532 -3.138
249 HA GLU 35 HA GLU 35 14.770 -3.595 -4.486
250 HB2 GLU 35 1HB GLU 35 13.326 -3.248 -6.344
251 HB3 GLU 35 2HB GLU 35 12.389 -3.230 -4.861
252 HG2 GLU 35 1HG GLU 35 12.251 -0.770 -4.949
253 HG3 GLU 35 2HG GLU 35 13.257 -0.734 -6.394
254 H LYS 36 H LYS 36 15.924 -0.649 -3.918
255 HA LYS 36 HA LYS 36 17.705 -0.637 -6.301
256 HB2 LYS 36 1HB LYS 36 17.615 1.764 -6.481
257 HB3 LYS 36 2HB LYS 36 16.018 1.060 -6.731
258 HG2 LYS 36 1HG LYS 36 15.373 1.681 -4.402
259 HG3 LYS 36 2HG LYS 36 16.963 2.414 -4.155
260 HD2 LYS 36 1HD LYS 36 14.927 3.293 -6.247
261 HD3 LYS 36 2HD LYS 36 15.177 4.060 -4.672
262 HE2 LYS 36 1HE LYS 36 17.543 4.552 -5.290
263 HE3 LYS 36 2HE LYS 36 17.272 3.832 -6.882
264 HZ1 LYS 36 3HZ LYS 36 15.842 6.214 -5.829
265 HZ2 LYS 36 1HZ LYS 36 15.589 5.544 -7.299
266 HZ3 LYS 36 2HZ LYS 36 17.023 6.240 -6.954
Start of MODEL 4
1 H1 GLY 1 1H GLY 1 -15.368 -1.889 -1.670
2 H2 GLY 1 2H GLY 1 -16.695 -0.949 -1.462
3 H3 GLY 1 3H GLY 1 -15.203 -0.291 -1.318
4 HA2 GLY 1 1HA GLY 1 -14.756 -0.742 -3.670
5 HA3 GLY 1 2HA GLY 1 -16.415 -1.360 -3.788
6 H SER 2 H SER 2 -17.035 0.206 -5.320
7 HA SER 2 HA SER 2 -16.793 3.078 -4.652
8 HB2 SER 2 1HB SER 2 -17.444 3.389 -7.012
9 HB3 SER 2 2HB SER 2 -16.019 2.352 -6.819
10 HG SER 2 HG SER 2 -17.545 1.478 -8.314
11 H SER 3 H SER 3 -19.285 0.654 -4.649
12 HA SER 3 HA SER 3 -21.397 2.722 -4.174
13 HB2 SER 3 1HB SER 3 -21.689 0.213 -5.873
14 HB3 SER 3 2HB SER 3 -22.998 1.310 -5.406
15 HG SER 3 HG SER 3 -20.724 1.921 -7.016
16 H GLY 4 H GLY 4 -22.811 2.290 -2.553
17 HA2 GLY 4 1HA GLY 4 -23.740 1.329 -0.691
18 HA3 GLY 4 2HA GLY 4 -23.412 -0.248 -1.411
19 H SER 5 H SER 5 -20.531 1.511 -1.016
20 HA SER 5 HA SER 5 -19.792 0.605 1.668
21 HB2 SER 5 1HB SER 5 -18.041 -0.939 0.838
22 HB3 SER 5 2HB SER 5 -19.664 -1.507 0.436
23 HG SER 5 HG SER 5 -19.397 -0.773 -1.667
24 H SER 6 H SER 6 -17.415 1.021 2.066
25 HA SER 6 HA SER 6 -16.576 3.576 0.842
26 HB2 SER 6 1HB SER 6 -14.972 3.634 2.734
27 HB3 SER 6 2HB SER 6 -16.669 3.544 3.229
28 HG SER 6 HG SER 6 -15.342 2.091 4.419
29 H GLY 7 H GLY 7 -14.385 3.975 0.245
30 HA2 GLY 7 1HA GLY 7 -12.974 1.711 -1.073
31 HA3 GLY 7 2HA GLY 7 -12.681 3.426 -1.330
32 H LYS 8 H LYS 8 -10.667 1.498 -0.841
33 HA LYS 8 HA LYS 8 -9.659 1.802 1.901
34 HB2 LYS 8 1HB LYS 8 -8.587 0.530 -0.627
35 HB3 LYS 8 2HB LYS 8 -7.592 0.708 0.815
36 HG2 LYS 8 1HG LYS 8 -9.076 -0.623 2.156
37 HG3 LYS 8 2HG LYS 8 -10.318 -0.637 0.896
38 HD2 LYS 8 1HD LYS 8 -8.835 -1.936 -0.593
39 HD3 LYS 8 2HD LYS 8 -7.556 -1.901 0.635
40 HE2 LYS 8 1HE LYS 8 -9.033 -3.117 2.217
41 HE3 LYS 8 2HE LYS 8 -10.318 -3.144 1.004
42 HZ1 LYS 8 3HZ LYS 8 -7.661 -4.445 0.682
43 HZ2 LYS 8 1HZ LYS 8 -8.866 -4.481 -0.422
44 HZ3 LYS 8 2HZ LYS 8 -9.055 -5.224 1.016
45 HA PRO 9 HA PRO 9 -8.031 5.784 0.709
46 HB2 PRO 9 1HB PRO 9 -7.138 6.711 3.110
47 HB3 PRO 9 2HB PRO 9 -8.867 6.489 2.734
48 HG2 PRO 9 1HG PRO 9 -7.028 4.631 4.237
49 HG3 PRO 9 2HG PRO 9 -8.666 5.146 4.709
50 HD2 PRO 9 1HD PRO 9 -8.149 2.753 3.434
51 HD3 PRO 9 2HD PRO 9 -9.655 3.667 3.198
52 H TYR 10 H TYR 10 -5.874 3.537 2.508
53 HA TYR 10 HA TYR 10 -3.537 5.146 1.855
54 HB2 TYR 10 1HB TYR 10 -3.715 2.429 3.198
55 HB3 TYR 10 2HB TYR 10 -2.303 3.471 3.134
56 HD1 TYR 10 2HD TYR 10 -2.408 5.776 4.269
57 HD2 TYR 10 1HD TYR 10 -5.400 2.725 4.848
58 HE1 TYR 10 2HE TYR 10 -3.202 6.938 6.322
59 HE2 TYR 10 1HE TYR 10 -6.163 3.857 6.916
60 HH TYR 10 HH TYR 10 -4.682 6.916 8.077
61 H LYS 11 H LYS 11 -3.056 5.135 -0.300
62 HA LYS 11 HA LYS 11 -2.894 2.525 -1.759
63 HB2 LYS 11 1HB LYS 11 -3.402 5.280 -2.926
64 HB3 LYS 11 2HB LYS 11 -3.352 3.739 -3.794
65 HG2 LYS 11 1HG LYS 11 -5.269 2.964 -2.278
66 HG3 LYS 11 2HG LYS 11 -5.408 4.641 -1.737
67 HD2 LYS 11 1HD LYS 11 -5.750 5.355 -4.097
68 HD3 LYS 11 2HD LYS 11 -5.677 3.655 -4.610
69 HE2 LYS 11 1HE LYS 11 -7.617 3.133 -3.146
70 HE3 LYS 11 2HE LYS 11 -7.686 4.818 -2.626
71 HZ1 LYS 11 3HZ LYS 11 -9.274 4.384 -4.410
72 HZ2 LYS 11 1HZ LYS 11 -8.094 3.886 -5.422
73 HZ3 LYS 11 2HZ LYS 11 -8.155 5.447 -4.938
74 H CYS 12 H CYS 12 -1.255 2.055 -3.138
75 HA CYS 12 HA CYS 12 1.349 3.100 -2.489
76 HB2 CYS 12 1HB CYS 12 0.954 0.769 -2.965
77 HB3 CYS 12 2HB CYS 12 0.396 1.161 -4.601
78 HA PRO 13 HA PRO 13 1.437 6.230 -5.788
79 HB2 PRO 13 1HB PRO 13 4.057 6.987 -5.628
80 HB3 PRO 13 2HB PRO 13 2.843 7.421 -4.392
81 HG2 PRO 13 1HG PRO 13 4.858 5.173 -4.300
82 HG3 PRO 13 2HG PRO 13 4.451 6.353 -3.019
83 HD2 PRO 13 1HD PRO 13 3.381 3.821 -3.145
84 HD3 PRO 13 2HD PRO 13 2.478 5.204 -2.463
85 H GLN 14 H GLN 14 3.078 3.189 -5.776
86 HA GLN 14 HA GLN 14 4.064 3.540 -8.582
87 HB2 GLN 14 1HB GLN 14 4.855 1.363 -6.647
88 HB3 GLN 14 2HB GLN 14 5.640 1.804 -8.149
89 HG2 GLN 14 1HG GLN 14 5.592 3.460 -5.584
90 HG3 GLN 14 2HG GLN 14 6.920 2.470 -6.149
91 HE21 GLN 14 1HE2 GLN 14 7.602 4.981 -5.581
92 HE22 GLN 14 2HE2 GLN 14 7.829 5.913 -7.056
93 H CYS 15 H CYS 15 1.980 1.557 -6.545
94 HA CYS 15 HA CYS 15 1.303 -0.225 -8.860
95 HB2 CYS 15 1HB CYS 15 0.853 -0.873 -5.945
96 HB3 CYS 15 2HB CYS 15 0.909 -1.976 -7.317
97 H SER 16 H SER 16 -0.866 -1.317 -8.594
98 HA SER 16 HA SER 16 -3.080 0.539 -8.057
99 HB2 SER 16 1HB SER 16 -3.128 -2.414 -8.779
100 HB3 SER 16 2HB SER 16 -4.509 -1.301 -8.788
101 HG SER 16 HG SER 16 -3.593 -1.576 -10.882
102 H TYR 17 H TYR 17 -1.146 -1.021 -5.958
103 HA TYR 17 HA TYR 17 -2.817 -2.515 -4.214
104 HB2 TYR 17 1HB TYR 17 -0.405 -2.730 -4.205
105 HB3 TYR 17 2HB TYR 17 -0.204 -1.040 -3.783
106 HD1 TYR 17 1HD TYR 17 -0.646 -0.211 -1.473
107 HD2 TYR 17 2HD TYR 17 -1.035 -4.389 -2.513
108 HE1 TYR 17 1HE TYR 17 -0.658 -0.809 0.930
109 HE2 TYR 17 2HE TYR 17 -1.023 -4.981 -0.096
110 HH TYR 17 HH TYR 17 -0.897 -4.210 2.044
111 H ALA 18 H ALA 18 -4.080 -2.011 -2.542
112 HA ALA 18 HA ALA 18 -3.953 0.623 -1.262
113 HB1 ALA 18 1HB ALA 18 -6.577 -0.536 -2.294
114 HB2 ALA 18 2HB ALA 18 -6.352 0.993 -1.407
115 HB3 ALA 18 3HB ALA 18 -5.696 0.813 -3.045
116 H SER 19 H SER 19 -4.602 0.625 0.893
117 HA SER 19 HA SER 19 -5.740 -1.849 2.083
118 HB2 SER 19 1HB SER 19 -3.186 -1.848 2.273
119 HB3 SER 19 2HB SER 19 -3.372 -0.478 3.383
120 HG SER 19 HG SER 19 -4.424 -3.125 3.602
121 H ALA 20 H ALA 20 -6.522 -1.561 4.266
122 HA ALA 20 HA ALA 20 -7.821 1.061 4.708
123 HB1 ALA 20 1HB ALA 20 -8.189 -1.635 6.072
124 HB2 ALA 20 2HB ALA 20 -9.199 -0.192 6.301
125 HB3 ALA 20 3HB ALA 20 -9.171 -1.006 4.727
126 H ILE 21 H ILE 21 -4.888 -0.244 5.575
127 HA ILE 21 HA ILE 21 -4.729 1.277 8.148
128 HB ILE 21 HB ILE 21 -3.590 -1.470 7.527
129 HG12 ILE 21 1HG1 ILE 21 -5.762 -0.638 9.505
130 HG13 ILE 21 2HG1 ILE 21 -6.012 -1.549 8.016
131 HG21 ILE 21 1HG2 ILE 21 -3.337 0.185 10.078
132 HG22 ILE 21 2HG2 ILE 21 -2.732 -1.472 9.840
133 HG23 ILE 21 3HG2 ILE 21 -2.035 -0.173 8.916
134 HD11 ILE 21 3HD1 ILE 21 -6.095 -3.119 9.781
135 HD12 ILE 21 1HD1 ILE 21 -4.554 -3.383 8.936
136 HD13 ILE 21 2HD1 ILE 21 -4.592 -2.533 10.503
137 H LYS 22 H LYS 22 -3.047 2.653 8.276
138 HA LYS 22 HA LYS 22 -1.370 3.232 6.044
139 HB2 LYS 22 1HB LYS 22 -2.120 4.787 7.911
140 HB3 LYS 22 2HB LYS 22 -0.901 4.043 8.948
141 HG2 LYS 22 1HG LYS 22 0.881 4.757 7.370
142 HG3 LYS 22 2HG LYS 22 -0.346 5.437 6.284
143 HD2 LYS 22 1HD LYS 22 -1.034 7.029 8.062
144 HD3 LYS 22 2HD LYS 22 0.194 6.343 9.148
145 HE2 LYS 22 1HE LYS 22 1.972 6.979 7.529
146 HE3 LYS 22 2HE LYS 22 0.749 7.666 6.452
147 HZ1 LYS 22 3HZ LYS 22 1.777 9.381 7.832
148 HZ2 LYS 22 1HZ LYS 22 1.326 8.629 9.206
149 HZ3 LYS 22 2HZ LYS 22 0.195 9.265 8.211
150 H ALA 23 H ALA 23 -0.662 1.394 9.000
151 HA ALA 23 HA ALA 23 2.094 0.971 8.665
152 HB1 ALA 23 1HB ALA 23 0.781 0.450 10.698
153 HB2 ALA 23 2HB ALA 23 0.024 -0.921 9.847
154 HB3 ALA 23 3HB ALA 23 1.766 -0.928 10.169
155 H ASN 24 H ASN 24 -0.622 -0.842 7.194
156 HA ASN 24 HA ASN 24 0.936 -2.946 6.009
157 HB2 ASN 24 1HB ASN 24 -1.776 -1.732 5.306
158 HB3 ASN 24 2HB ASN 24 -1.112 -3.150 4.529
159 HD21 ASN 24 1HD2 ASN 24 -3.509 -3.387 5.605
160 HD22 ASN 24 2HD2 ASN 24 -3.416 -4.419 7.037
161 H LEU 25 H LEU 25 -0.172 0.233 4.718
162 HA LEU 25 HA LEU 25 1.110 -0.056 2.168
163 HB2 LEU 25 1HB LEU 25 -0.676 1.570 2.549
164 HB3 LEU 25 2HB LEU 25 0.305 2.419 3.749
165 HG LEU 25 HG LEU 25 1.956 3.025 2.000
166 HD11 LEU 25 1HD1 LEU 25 1.387 2.691 -0.384
167 HD12 LEU 25 2HD1 LEU 25 -0.002 1.679 0.089
168 HD13 LEU 25 3HD1 LEU 25 1.664 1.154 0.422
169 HD21 LEU 25 3HD2 LEU 25 0.609 4.653 0.818
170 HD22 LEU 25 1HD2 LEU 25 0.072 4.536 2.504
171 HD23 LEU 25 2HD2 LEU 25 -0.867 3.756 1.210
172 H ASN 26 H ASN 26 2.261 1.290 5.294
173 HA ASN 26 HA ASN 26 4.827 2.135 4.457
174 HB2 ASN 26 1HB ASN 26 4.573 2.802 6.570
175 HB3 ASN 26 2HB ASN 26 3.453 1.536 6.982
176 HD21 ASN 26 1HD2 ASN 26 4.223 -0.413 7.916
177 HD22 ASN 26 2HD2 ASN 26 5.843 -0.485 8.597
178 H VAL 27 H VAL 27 3.925 -1.180 5.588
179 HA VAL 27 HA VAL 27 6.513 -2.311 5.036
180 HB VAL 27 HB VAL 27 3.761 -3.609 5.168
181 HG11 VAL 27 1HG1 VAL 27 5.207 -5.134 3.917
182 HG12 VAL 27 2HG1 VAL 27 6.504 -4.935 5.120
183 HG13 VAL 27 3HG1 VAL 27 4.983 -5.750 5.552
184 HG21 VAL 27 3HG2 VAL 27 4.503 -2.613 7.292
185 HG22 VAL 27 1HG2 VAL 27 4.544 -4.370 7.395
186 HG23 VAL 27 2HG2 VAL 27 6.058 -3.462 7.167
187 H HIS 28 H HIS 28 3.627 -1.957 2.929
188 HA HIS 28 HA HIS 28 4.734 -3.371 0.718
189 HB2 HIS 28 1HB HIS 28 2.351 -2.829 0.951
190 HB3 HIS 28 2HB HIS 28 2.697 -1.110 0.806
191 HD1 HIS 28 1HD HIS 28 2.479 -4.254 -1.373
192 HD2 HIS 28 2HD HIS 28 3.264 -0.134 -1.607
193 HE1 HIS 28 1HE HIS 28 2.543 -3.706 -3.853
194 H LEU 29 H LEU 29 4.990 0.087 1.622
195 HA LEU 29 HA LEU 29 6.544 0.897 -0.682
196 HB2 LEU 29 1HB LEU 29 6.255 2.053 2.092
197 HB3 LEU 29 2HB LEU 29 7.173 2.845 0.812
198 HG LEU 29 HG LEU 29 4.293 2.095 0.385
199 HD11 LEU 29 1HD1 LEU 29 3.829 4.471 1.173
200 HD12 LEU 29 2HD1 LEU 29 5.557 4.583 1.633
201 HD13 LEU 29 3HD1 LEU 29 4.497 3.429 2.455
202 HD21 LEU 29 3HD2 LEU 29 4.364 4.071 -1.135
203 HD22 LEU 29 1HD2 LEU 29 5.424 2.764 -1.657
204 HD23 LEU 29 2HD2 LEU 29 6.110 4.201 -0.859
205 H ARG 30 H ARG 30 7.491 -0.478 2.465
206 HA ARG 30 HA ARG 30 10.206 0.232 2.331
207 HB2 ARG 30 1HB ARG 30 8.860 -2.230 3.524
208 HB3 ARG 30 2HB ARG 30 10.600 -1.973 3.665
209 HG2 ARG 30 1HG ARG 30 10.312 0.087 4.873
210 HG3 ARG 30 2HG ARG 30 8.587 0.099 4.594
211 HD2 ARG 30 1HD ARG 30 8.459 -2.095 5.900
212 HD3 ARG 30 2HD ARG 30 10.163 -1.847 6.306
213 HE ARG 30 HE ARG 30 8.140 0.287 6.900
214 HH11 ARG 30 2HH1 ARG 30 10.384 -2.031 8.298
215 HH12 ARG 30 1HH1 ARG 30 10.247 -1.306 9.877
216 HH21 ARG 30 2HH2 ARG 30 8.014 1.117 8.841
217 HH22 ARG 30 1HH2 ARG 30 8.931 0.465 10.186
218 H LYS 31 H LYS 31 8.494 -2.023 0.383
219 HA LYS 31 HA LYS 31 10.827 -3.398 -0.773
220 HB2 LYS 31 1HB LYS 31 7.916 -3.337 -1.676
221 HB3 LYS 31 2HB LYS 31 9.172 -4.422 -2.267
222 HG2 LYS 31 1HG LYS 31 9.403 -5.436 -0.031
223 HG3 LYS 31 2HG LYS 31 8.158 -4.349 0.614
224 HD2 LYS 31 1HD LYS 31 6.509 -5.265 -0.989
225 HD3 LYS 31 2HD LYS 31 7.714 -6.414 -1.588
226 HE2 LYS 31 1HE LYS 31 6.739 -6.234 1.304
227 HE3 LYS 31 2HE LYS 31 6.077 -7.341 0.098
228 HZ1 LYS 31 3HZ LYS 31 8.892 -7.362 1.051
229 HZ2 LYS 31 1HZ LYS 31 8.286 -8.360 -0.096
230 HZ3 LYS 31 2HZ LYS 31 7.744 -8.453 1.439
231 H HIS 32 H HIS 32 8.948 -0.473 -1.470
232 HA HIS 32 HA HIS 32 10.212 -0.126 -4.118
233 HB2 HIS 32 1HB HIS 32 8.340 1.604 -2.463
234 HB3 HIS 32 2HB HIS 32 8.917 2.005 -4.083
235 HD1 HIS 32 1HD HIS 32 8.451 -0.559 -5.713
236 HD2 HIS 32 2HD HIS 32 5.867 0.859 -2.714
237 HE1 HIS 32 1HE HIS 32 6.196 -1.599 -6.205
238 H THR 33 H THR 33 10.651 1.154 -0.792
239 HA THR 33 HA THR 33 12.595 3.156 -1.655
240 HB THR 33 HB THR 33 12.971 3.529 0.744
241 HG1 THR 33 1HG THR 33 11.765 2.390 2.225
242 HG21 THR 33 3HG2 THR 33 11.095 4.680 -0.403
243 HG22 THR 33 1HG2 THR 33 10.750 4.370 1.307
244 HG23 THR 33 2HG2 THR 33 10.003 3.355 0.055
245 H GLY 34 H GLY 34 12.851 -0.175 -0.478
246 HA2 GLY 34 1HA GLY 34 15.712 -0.196 -0.089
247 HA3 GLY 34 2HA GLY 34 14.679 -1.599 -0.352
248 H GLU 35 H GLU 35 17.351 -0.445 -1.513
249 HA GLU 35 HA GLU 35 16.711 -0.603 -4.420
250 HB2 GLU 35 1HB GLU 35 18.693 0.691 -4.806
251 HB3 GLU 35 2HB GLU 35 17.646 1.498 -3.644
252 HG2 GLU 35 1HG GLU 35 19.098 0.707 -1.779
253 HG3 GLU 35 2HG GLU 35 20.144 -0.104 -2.943
254 H LYS 36 H LYS 36 17.714 -2.723 -2.214
255 HA LYS 36 HA LYS 36 19.162 -4.427 -4.178
256 HB2 LYS 36 1HB LYS 36 20.071 -3.905 -1.314
257 HB3 LYS 36 2HB LYS 36 20.641 -5.242 -2.320
258 HG2 LYS 36 1HG LYS 36 21.507 -3.621 -3.998
259 HG3 LYS 36 2HG LYS 36 20.994 -2.282 -2.955
260 HD2 LYS 36 1HD LYS 36 22.484 -3.106 -1.152
261 HD3 LYS 36 2HD LYS 36 23.017 -4.435 -2.206
262 HE2 LYS 36 1HE LYS 36 23.847 -2.781 -3.866
263 HE3 LYS 36 2HE LYS 36 23.315 -1.459 -2.820
264 HZ1 LYS 36 3HZ LYS 36 25.382 -3.470 -2.101
265 HZ2 LYS 36 1HZ LYS 36 24.891 -2.248 -1.133
266 HZ3 LYS 36 2HZ LYS 36 25.679 -1.923 -2.524
Start of MODEL 5
1 H1 GLY 1 1H GLY 1 -18.051 12.702 2.825
2 H2 GLY 1 2H GLY 1 -18.844 11.319 3.208
3 H3 GLY 1 3H GLY 1 -19.142 12.070 1.781
4 HA2 GLY 1 1HA GLY 1 -16.585 10.817 2.546
5 HA3 GLY 1 2HA GLY 1 -17.772 10.117 1.430
6 H SER 2 H SER 2 -14.956 10.855 0.953
7 HA SER 2 HA SER 2 -14.787 13.255 -0.612
8 HB2 SER 2 1HB SER 2 -12.996 10.797 -0.618
9 HB3 SER 2 2HB SER 2 -12.595 12.389 -1.292
10 HG SER 2 HG SER 2 -11.762 12.111 0.837
11 H SER 3 H SER 3 -14.658 13.589 -2.820
12 HA SER 3 HA SER 3 -15.962 11.565 -4.571
13 HB2 SER 3 1HB SER 3 -15.398 14.508 -5.049
14 HB3 SER 3 2HB SER 3 -16.328 13.426 -6.104
15 HG SER 3 HG SER 3 -17.679 14.662 -4.709
16 H GLY 4 H GLY 4 -12.836 13.187 -4.217
17 HA2 GLY 4 1HA GLY 4 -11.868 12.558 -6.886
18 HA3 GLY 4 2HA GLY 4 -10.942 13.212 -5.537
19 H SER 5 H SER 5 -12.004 10.706 -3.975
20 HA SER 5 HA SER 5 -10.609 8.432 -5.197
21 HB2 SER 5 1HB SER 5 -9.624 9.762 -2.640
22 HB3 SER 5 2HB SER 5 -9.323 8.053 -2.997
23 HG SER 5 HG SER 5 -8.664 10.113 -4.836
24 H SER 6 H SER 6 -11.156 6.439 -4.204
25 HA SER 6 HA SER 6 -13.208 6.412 -2.065
26 HB2 SER 6 1HB SER 6 -14.333 6.697 -4.323
27 HB3 SER 6 2HB SER 6 -13.707 5.095 -4.758
28 HG SER 6 HG SER 6 -15.856 5.060 -3.866
29 H GLY 7 H GLY 7 -13.875 4.069 -1.638
30 HA2 GLY 7 1HA GLY 7 -13.326 1.947 -0.891
31 HA3 GLY 7 2HA GLY 7 -12.068 1.897 -2.123
32 H LYS 8 H LYS 8 -10.555 0.910 -0.838
33 HA LYS 8 HA LYS 8 -9.712 1.610 1.789
34 HB2 LYS 8 1HB LYS 8 -8.423 0.173 -0.548
35 HB3 LYS 8 2HB LYS 8 -7.551 0.420 0.964
36 HG2 LYS 8 1HG LYS 8 -9.189 -0.801 2.239
37 HG3 LYS 8 2HG LYS 8 -10.305 -0.867 0.867
38 HD2 LYS 8 1HD LYS 8 -8.732 -2.314 -0.382
39 HD3 LYS 8 2HD LYS 8 -7.561 -2.184 0.928
40 HE2 LYS 8 1HE LYS 8 -8.622 -4.300 1.166
41 HE3 LYS 8 2HE LYS 8 -9.182 -3.274 2.488
42 HZ1 LYS 8 3HZ LYS 8 -11.251 -2.915 1.236
43 HZ2 LYS 8 1HZ LYS 8 -11.005 -4.512 1.445
44 HZ3 LYS 8 2HZ LYS 8 -10.711 -3.834 -0.007
45 HA PRO 9 HA PRO 9 -8.055 5.544 0.615
46 HB2 PRO 9 1HB PRO 9 -7.239 6.542 3.018
47 HB3 PRO 9 2HB PRO 9 -8.954 6.261 2.610
48 HG2 PRO 9 1HG PRO 9 -7.087 4.458 4.157
49 HG3 PRO 9 2HG PRO 9 -8.728 4.958 4.622
50 HD2 PRO 9 1HD PRO 9 -8.217 2.564 3.394
51 HD3 PRO 9 2HD PRO 9 -9.704 3.485 3.082
52 H TYR 10 H TYR 10 -5.848 3.402 2.482
53 HA TYR 10 HA TYR 10 -3.570 5.100 1.825
54 HB2 TYR 10 1HB TYR 10 -3.661 2.404 3.214
55 HB3 TYR 10 2HB TYR 10 -2.274 3.481 3.100
56 HD1 TYR 10 2HD TYR 10 -2.319 5.729 4.259
57 HD2 TYR 10 1HD TYR 10 -5.426 2.787 4.808
58 HE1 TYR 10 2HE TYR 10 -3.105 6.924 6.306
59 HE2 TYR 10 1HE TYR 10 -6.181 3.948 6.852
60 HH TYR 10 HH TYR 10 -5.854 5.732 8.273
61 H LYS 11 H LYS 11 -3.292 5.105 -0.340
62 HA LYS 11 HA LYS 11 -3.000 2.548 -1.838
63 HB2 LYS 11 1HB LYS 11 -3.361 5.330 -2.974
64 HB3 LYS 11 2HB LYS 11 -3.438 3.787 -3.834
65 HG2 LYS 11 1HG LYS 11 -5.459 3.244 -2.282
66 HG3 LYS 11 2HG LYS 11 -5.430 4.962 -1.867
67 HD2 LYS 11 1HD LYS 11 -5.502 5.447 -4.369
68 HD3 LYS 11 2HD LYS 11 -5.854 3.741 -4.629
69 HE2 LYS 11 1HE LYS 11 -7.514 5.653 -2.917
70 HE3 LYS 11 2HE LYS 11 -7.850 5.275 -4.609
71 HZ1 LYS 11 3HZ LYS 11 -9.215 3.916 -3.202
72 HZ2 LYS 11 1HZ LYS 11 -7.946 3.361 -2.347
73 HZ3 LYS 11 2HZ LYS 11 -8.131 2.926 -3.930
74 H CYS 12 H CYS 12 -1.306 2.083 -3.149
75 HA CYS 12 HA CYS 12 1.286 3.139 -2.477
76 HB2 CYS 12 1HB CYS 12 0.927 0.808 -2.985
77 HB3 CYS 12 2HB CYS 12 0.356 1.212 -4.612
78 HA PRO 13 HA PRO 13 1.372 6.333 -5.687
79 HB2 PRO 13 1HB PRO 13 3.979 7.112 -5.505
80 HB3 PRO 13 2HB PRO 13 2.772 7.472 -4.234
81 HG2 PRO 13 1HG PRO 13 4.783 5.200 -4.303
82 HG3 PRO 13 2HG PRO 13 4.444 6.336 -2.959
83 HD2 PRO 13 1HD PRO 13 3.323 3.847 -3.112
84 HD3 PRO 13 2HD PRO 13 2.430 5.227 -2.415
85 H GLN 14 H GLN 14 2.990 3.284 -5.828
86 HA GLN 14 HA GLN 14 3.782 3.738 -8.690
87 HB2 GLN 14 1HB GLN 14 5.013 1.848 -6.655
88 HB3 GLN 14 2HB GLN 14 5.438 1.960 -8.368
89 HG2 GLN 14 1HG GLN 14 6.067 4.379 -7.998
90 HG3 GLN 14 2HG GLN 14 5.784 4.145 -6.273
91 HE21 GLN 14 1HE2 GLN 14 8.132 4.907 -6.222
92 HE22 GLN 14 2HE2 GLN 14 9.359 3.662 -6.412
93 H CYS 15 H CYS 15 1.954 1.633 -6.533
94 HA CYS 15 HA CYS 15 1.268 -0.161 -8.840
95 HB2 CYS 15 1HB CYS 15 0.831 -0.802 -5.923
96 HB3 CYS 15 2HB CYS 15 0.873 -1.907 -7.295
97 H SER 16 H SER 16 -0.889 -1.245 -8.609
98 HA SER 16 HA SER 16 -3.115 0.591 -8.066
99 HB2 SER 16 1HB SER 16 -3.141 -2.358 -8.801
100 HB3 SER 16 2HB SER 16 -4.530 -1.255 -8.810
101 HG SER 16 HG SER 16 -3.605 -1.514 -10.903
102 H TYR 17 H TYR 17 -1.178 -0.989 -5.977
103 HA TYR 17 HA TYR 17 -2.855 -2.474 -4.225
104 HB2 TYR 17 1HB TYR 17 -0.436 -2.700 -4.240
105 HB3 TYR 17 2HB TYR 17 -0.230 -1.015 -3.802
106 HD1 TYR 17 1HD TYR 17 -0.596 -0.219 -1.496
107 HD2 TYR 17 2HD TYR 17 -1.137 -4.370 -2.566
108 HE1 TYR 17 1HE TYR 17 -0.619 -0.838 0.909
109 HE2 TYR 17 2HE TYR 17 -1.127 -4.984 -0.154
110 HH TYR 17 HH TYR 17 -0.960 -4.239 1.993
111 H ALA 18 H ALA 18 -4.137 -1.928 -2.562
112 HA ALA 18 HA ALA 18 -3.869 0.664 -1.238
113 HB1 ALA 18 1HB ALA 18 -5.610 1.048 -2.976
114 HB2 ALA 18 2HB ALA 18 -6.558 -0.296 -2.303
115 HB3 ALA 18 3HB ALA 18 -6.260 1.165 -1.331
116 H SER 19 H SER 19 -4.492 0.654 0.932
117 HA SER 19 HA SER 19 -5.691 -1.819 2.074
118 HB2 SER 19 1HB SER 19 -3.133 -1.836 2.236
119 HB3 SER 19 2HB SER 19 -3.309 -0.508 3.398
120 HG SER 19 HG SER 19 -4.354 -3.162 3.516
121 H ALA 20 H ALA 20 -6.394 -1.558 4.307
122 HA ALA 20 HA ALA 20 -7.762 1.025 4.754
123 HB1 ALA 20 1HB ALA 20 -9.038 -1.087 4.808
124 HB2 ALA 20 2HB ALA 20 -8.018 -1.671 6.146
125 HB3 ALA 20 3HB ALA 20 -9.074 -0.262 6.376
126 H ILE 21 H ILE 21 -4.787 -0.209 5.625
127 HA ILE 21 HA ILE 21 -4.644 1.364 8.166
128 HB ILE 21 HB ILE 21 -3.530 -1.404 7.607
129 HG12 ILE 21 1HG1 ILE 21 -5.621 -0.482 9.628
130 HG13 ILE 21 2HG1 ILE 21 -5.941 -1.409 8.162
131 HG21 ILE 21 1HG2 ILE 21 -1.905 -0.120 8.911
132 HG22 ILE 21 2HG2 ILE 21 -3.165 0.331 10.089
133 HG23 ILE 21 3HG2 ILE 21 -2.619 -1.353 9.905
134 HD11 ILE 21 3HD1 ILE 21 -4.465 -2.391 10.616
135 HD12 ILE 21 1HD1 ILE 21 -6.003 -2.951 9.952
136 HD13 ILE 21 2HD1 ILE 21 -4.499 -3.264 9.062
137 H LYS 22 H LYS 22 -2.950 2.724 8.299
138 HA LYS 22 HA LYS 22 -1.325 3.324 6.041
139 HB2 LYS 22 1HB LYS 22 -2.060 4.847 7.946
140 HB3 LYS 22 2HB LYS 22 -0.789 4.128 8.935
141 HG2 LYS 22 1HG LYS 22 0.922 4.905 7.324
142 HG3 LYS 22 2HG LYS 22 -0.348 5.537 6.259
143 HD2 LYS 22 1HD LYS 22 -1.087 7.072 8.082
144 HD3 LYS 22 2HD LYS 22 0.236 6.501 9.102
145 HE2 LYS 22 1HE LYS 22 0.569 7.837 6.371
146 HE3 LYS 22 2HE LYS 22 0.641 8.692 7.913
147 HZ1 LYS 22 3HZ LYS 22 2.514 6.540 7.084
148 HZ2 LYS 22 1HZ LYS 22 2.552 7.309 8.530
149 HZ3 LYS 22 2HZ LYS 22 2.858 8.132 7.157
150 H ALA 23 H ALA 23 -0.546 1.437 8.946
151 HA ALA 23 HA ALA 23 2.218 1.025 8.446
152 HB1 ALA 23 1HB ALA 23 1.067 0.593 10.596
153 HB2 ALA 23 2HB ALA 23 0.216 -0.788 9.856
154 HB3 ALA 23 3HB ALA 23 1.980 -0.823 10.038
155 H ASN 24 H ASN 24 -0.622 -0.750 7.153
156 HA ASN 24 HA ASN 24 0.872 -2.908 5.950
157 HB2 ASN 24 1HB ASN 24 -1.836 -1.664 5.298
158 HB3 ASN 24 2HB ASN 24 -1.199 -3.085 4.504
159 HD21 ASN 24 1HD2 ASN 24 -3.562 -3.351 5.595
160 HD22 ASN 24 2HD2 ASN 24 -3.459 -4.362 7.043
161 H LEU 25 H LEU 25 -0.179 0.306 4.702
162 HA LEU 25 HA LEU 25 1.102 0.002 2.154
163 HB2 LEU 25 1HB LEU 25 -0.667 1.645 2.514
164 HB3 LEU 25 2HB LEU 25 0.310 2.487 3.723
165 HG LEU 25 HG LEU 25 1.985 3.068 1.988
166 HD11 LEU 25 1HD1 LEU 25 1.689 1.196 0.415
167 HD12 LEU 25 2HD1 LEU 25 1.444 2.732 -0.398
168 HD13 LEU 25 3HD1 LEU 25 0.034 1.739 0.057
169 HD21 LEU 25 3HD2 LEU 25 0.680 4.716 0.797
170 HD22 LEU 25 1HD2 LEU 25 0.116 4.604 2.473
171 HD23 LEU 25 2HD2 LEU 25 -0.817 3.846 1.161
172 H ASN 26 H ASN 26 2.293 1.329 5.293
173 HA ASN 26 HA ASN 26 4.826 2.183 4.354
174 HB2 ASN 26 1HB ASN 26 3.825 2.653 6.602
175 HB3 ASN 26 2HB ASN 26 4.156 0.984 7.064
176 HD21 ASN 26 1HD2 ASN 26 5.339 2.164 8.846
177 HD22 ASN 26 2HD2 ASN 26 6.999 2.626 8.508
178 H VAL 27 H VAL 27 3.933 -1.115 5.595
179 HA VAL 27 HA VAL 27 6.497 -2.295 5.026
180 HB VAL 27 HB VAL 27 3.706 -3.510 5.221
181 HG11 VAL 27 1HG1 VAL 27 5.065 -5.106 3.959
182 HG12 VAL 27 2HG1 VAL 27 6.399 -4.939 5.124
183 HG13 VAL 27 3HG1 VAL 27 4.863 -5.689 5.609
184 HG21 VAL 27 3HG2 VAL 27 6.063 -3.483 7.163
185 HG22 VAL 27 1HG2 VAL 27 4.610 -2.476 7.310
186 HG23 VAL 27 2HG2 VAL 27 4.474 -4.230 7.448
187 H HIS 28 H HIS 28 3.596 -1.891 2.933
188 HA HIS 28 HA HIS 28 4.686 -3.344 0.737
189 HB2 HIS 28 1HB HIS 28 2.312 -2.777 0.925
190 HB3 HIS 28 2HB HIS 28 2.674 -1.060 0.804
191 HD1 HIS 28 1HD HIS 28 2.417 -4.166 -1.411
192 HD2 HIS 28 2HD HIS 28 3.314 -0.066 -1.596
193 HE1 HIS 28 1HE HIS 28 2.529 -3.597 -3.883
194 H LEU 29 H LEU 29 4.965 0.118 1.617
195 HA LEU 29 HA LEU 29 6.587 0.899 -0.647
196 HB2 LEU 29 1HB LEU 29 6.273 2.068 2.122
197 HB3 LEU 29 2HB LEU 29 7.205 2.838 0.841
198 HG LEU 29 HG LEU 29 4.307 2.134 0.413
199 HD11 LEU 29 1HD1 LEU 29 5.619 4.599 1.650
200 HD12 LEU 29 2HD1 LEU 29 4.531 3.471 2.472
201 HD13 LEU 29 3HD1 LEU 29 3.891 4.520 1.181
202 HD21 LEU 29 3HD2 LEU 29 4.417 4.078 -1.139
203 HD22 LEU 29 1HD2 LEU 29 5.461 2.750 -1.635
204 HD23 LEU 29 2HD2 LEU 29 6.165 4.188 -0.855
205 H ARG 30 H ARG 30 7.417 -0.500 2.524
206 HA ARG 30 HA ARG 30 10.154 0.119 2.423
207 HB2 ARG 30 1HB ARG 30 8.641 -2.166 3.740
208 HB3 ARG 30 2HB ARG 30 10.398 -2.079 3.839
209 HG2 ARG 30 1HG ARG 30 10.336 0.076 4.913
210 HG3 ARG 30 2HG ARG 30 8.609 0.226 4.695
211 HD2 ARG 30 1HD ARG 30 9.039 -0.386 6.990
212 HD3 ARG 30 2HD ARG 30 8.244 -1.728 6.187
213 HE ARG 30 HE ARG 30 10.141 -3.046 6.429
214 HH11 ARG 30 2HH2 ARG 30 11.057 0.224 7.310
215 HH12 ARG 30 1HH2 ARG 30 12.586 -0.291 7.967
216 HH21 ARG 30 2HH1 ARG 30 12.105 -3.623 7.276
217 HH22 ARG 30 1HH1 ARG 30 13.157 -2.410 7.944
218 H LYS 31 H LYS 31 8.407 -2.061 0.452
219 HA LYS 31 HA LYS 31 10.744 -3.483 -0.663
220 HB2 LYS 31 1HB LYS 31 7.851 -3.410 -1.615
221 HB3 LYS 31 2HB LYS 31 9.117 -4.499 -2.176
222 HG2 LYS 31 1HG LYS 31 9.287 -5.509 0.075
223 HG3 LYS 31 2HG LYS 31 8.021 -4.422 0.675
224 HD2 LYS 31 1HD LYS 31 6.405 -5.373 -0.934
225 HD3 LYS 31 2HD LYS 31 7.663 -6.472 -1.548
226 HE2 LYS 31 1HE LYS 31 7.910 -7.433 0.746
227 HE3 LYS 31 2HE LYS 31 6.622 -6.367 1.322
228 HZ1 LYS 31 3HZ LYS 31 6.299 -8.465 -0.762
229 HZ2 LYS 31 1HZ LYS 31 5.104 -7.483 -0.235
230 HZ3 LYS 31 2HZ LYS 31 5.770 -8.577 0.776
231 H HIS 32 H HIS 32 8.916 -0.529 -1.373
232 HA HIS 32 HA HIS 32 10.174 -0.211 -4.026
233 HB2 HIS 32 1HB HIS 32 8.354 1.562 -2.357
234 HB3 HIS 32 2HB HIS 32 8.983 1.995 -3.945
235 HD1 HIS 32 1HD HIS 32 8.431 -0.280 -5.802
236 HD2 HIS 32 2HD HIS 32 5.877 0.804 -2.648
237 HE1 HIS 32 1HE HIS 32 6.170 -1.246 -6.393
238 H THR 33 H THR 33 10.766 0.953 -0.701
239 HA THR 33 HA THR 33 12.556 3.067 -1.472
240 HB THR 33 HB THR 33 13.241 3.040 0.946
241 HG1 THR 33 1HG THR 33 12.926 0.939 1.528
242 HG21 THR 33 3HG2 THR 33 10.242 3.053 0.408
243 HG22 THR 33 1HG2 THR 33 11.357 4.417 0.189
244 HG23 THR 33 2HG2 THR 33 11.066 3.764 1.811
245 H GLY 34 H GLY 34 13.168 -0.325 -1.399
246 HA2 GLY 34 1HA GLY 34 15.816 0.072 -2.429
247 HA3 GLY 34 2HA GLY 34 15.907 -0.511 -0.766
248 H GLU 35 H GLU 35 16.684 -1.751 -3.355
249 HA GLU 35 HA GLU 35 15.531 -4.430 -2.943
250 HB2 GLU 35 1HB GLU 35 14.037 -3.320 -4.601
251 HB3 GLU 35 2HB GLU 35 15.428 -3.014 -5.644
252 HG2 GLU 35 1HG GLU 35 15.774 -5.440 -5.927
253 HG3 GLU 35 2HG GLU 35 14.484 -5.779 -4.770
254 H LYS 36 H LYS 36 16.922 -6.082 -3.568
255 HA LYS 36 HA LYS 36 19.410 -5.519 -5.038
256 HB2 LYS 36 1HB LYS 36 19.951 -5.091 -2.637
257 HB3 LYS 36 2HB LYS 36 19.390 -6.711 -2.230
258 HG2 LYS 36 1HG LYS 36 21.802 -6.667 -2.304
259 HG3 LYS 36 2HG LYS 36 21.206 -7.696 -3.607
260 HD2 LYS 36 1HD LYS 36 21.613 -5.883 -5.247
261 HD3 LYS 36 2HD LYS 36 22.121 -4.798 -3.933
262 HE2 LYS 36 1HE LYS 36 23.976 -6.356 -3.379
263 HE3 LYS 36 2HE LYS 36 23.461 -7.438 -4.680
264 HZ1 LYS 36 3HZ LYS 36 25.270 -5.989 -5.400
265 HZ2 LYS 36 1HZ LYS 36 24.407 -4.647 -5.064
266 HZ3 LYS 36 2HZ LYS 36 23.931 -5.646 -6.266
Start of MODEL 6
1 H1 GLY 1 1H GLY 1 -1.957 1.808 -18.019
2 H2 GLY 1 2H GLY 1 -2.806 2.432 -16.764
3 H3 GLY 1 3H GLY 1 -3.355 2.615 -18.296
4 HA2 GLY 1 1HA GLY 1 -3.721 0.252 -18.525
5 HA3 GLY 1 2HA GLY 1 -3.106 0.041 -16.877
6 H SER 2 H SER 2 -5.736 -0.676 -17.973
7 HA SER 2 HA SER 2 -7.696 1.245 -17.047
8 HB2 SER 2 1HB SER 2 -8.067 -1.647 -17.897
9 HB3 SER 2 2HB SER 2 -9.327 -0.405 -17.776
10 HG SER 2 HG SER 2 -8.563 -0.656 -19.930
11 H SER 3 H SER 3 -5.971 -1.150 -15.312
12 HA SER 3 HA SER 3 -7.945 -2.074 -13.478
13 HB2 SER 3 1HB SER 3 -4.941 -1.819 -13.085
14 HB3 SER 3 2HB SER 3 -6.045 -2.842 -12.144
15 HG SER 3 HG SER 3 -4.991 -4.020 -13.812
16 H GLY 4 H GLY 4 -8.137 -1.665 -11.190
17 HA2 GLY 4 1HA GLY 4 -7.102 0.744 -9.944
18 HA3 GLY 4 2HA GLY 4 -8.789 0.915 -10.430
19 H SER 5 H SER 5 -8.678 1.275 -7.966
20 HA SER 5 HA SER 5 -9.566 -1.159 -6.533
21 HB2 SER 5 1HB SER 5 -8.060 -0.623 -4.618
22 HB3 SER 5 2HB SER 5 -7.200 -1.120 -6.081
23 HG SER 5 HG SER 5 -6.117 0.623 -5.552
24 H SER 6 H SER 6 -10.739 -0.712 -4.560
25 HA SER 6 HA SER 6 -11.618 2.073 -4.071
26 HB2 SER 6 1HB SER 6 -13.053 1.095 -5.906
27 HB3 SER 6 2HB SER 6 -13.621 -0.112 -4.737
28 HG SER 6 HG SER 6 -14.986 1.762 -4.882
29 H GLY 7 H GLY 7 -13.053 2.251 -2.199
30 HA2 GLY 7 1HA GLY 7 -13.722 1.863 -0.043
31 HA3 GLY 7 2HA GLY 7 -13.447 0.142 -0.309
32 H LYS 8 H LYS 8 -10.540 1.708 -0.869
33 HA LYS 8 HA LYS 8 -9.538 1.417 1.938
34 HB2 LYS 8 1HB LYS 8 -8.510 0.147 -0.609
35 HB3 LYS 8 2HB LYS 8 -7.477 0.375 0.798
36 HG2 LYS 8 1HG LYS 8 -8.848 -1.014 2.190
37 HG3 LYS 8 2HG LYS 8 -10.146 -1.064 0.993
38 HD2 LYS 8 1HD LYS 8 -8.701 -2.311 -0.572
39 HD3 LYS 8 2HD LYS 8 -7.380 -2.269 0.610
40 HE2 LYS 8 1HE LYS 8 -8.789 -3.509 2.235
41 HE3 LYS 8 2HE LYS 8 -10.113 -3.544 1.063
42 HZ1 LYS 8 3HZ LYS 8 -7.454 -4.816 0.652
43 HZ2 LYS 8 1HZ LYS 8 -8.693 -4.857 -0.415
44 HZ3 LYS 8 2HZ LYS 8 -8.831 -5.610 1.023
45 HA PRO 9 HA PRO 9 -8.174 5.453 0.562
46 HB2 PRO 9 1HB PRO 9 -7.365 6.531 2.933
47 HB3 PRO 9 2HB PRO 9 -9.078 6.204 2.546
48 HG2 PRO 9 1HG PRO 9 -7.161 4.502 4.145
49 HG3 PRO 9 2HG PRO 9 -8.824 4.961 4.585
50 HD2 PRO 9 1HD PRO 9 -8.217 2.545 3.426
51 HD3 PRO 9 2HD PRO 9 -9.741 3.399 3.101
52 H TYR 10 H TYR 10 -5.918 3.415 2.488
53 HA TYR 10 HA TYR 10 -3.668 5.141 1.839
54 HB2 TYR 10 1HB TYR 10 -3.732 2.436 3.213
55 HB3 TYR 10 2HB TYR 10 -2.358 3.529 3.133
56 HD1 TYR 10 2HD TYR 10 -2.507 5.809 4.272
57 HD2 TYR 10 1HD TYR 10 -5.470 2.724 4.822
58 HE1 TYR 10 2HE TYR 10 -3.339 6.966 6.314
59 HE2 TYR 10 1HE TYR 10 -6.275 3.856 6.874
60 HH TYR 10 HH TYR 10 -4.841 6.931 8.050
61 H LYS 11 H LYS 11 -3.190 5.142 -0.315
62 HA LYS 11 HA LYS 11 -2.883 2.537 -1.747
63 HB2 LYS 11 1HB LYS 11 -3.421 5.275 -2.944
64 HB3 LYS 11 2HB LYS 11 -3.290 3.733 -3.799
65 HG2 LYS 11 1HG LYS 11 -5.237 2.967 -2.197
66 HG3 LYS 11 2HG LYS 11 -5.496 4.700 -1.960
67 HD2 LYS 11 1HD LYS 11 -5.698 4.985 -4.436
68 HD3 LYS 11 2HD LYS 11 -5.445 3.237 -4.634
69 HE2 LYS 11 1HE LYS 11 -7.479 2.872 -3.148
70 HE3 LYS 11 2HE LYS 11 -7.780 4.614 -3.240
71 HZ1 LYS 11 3HZ LYS 11 -7.871 4.348 -5.698
72 HZ2 LYS 11 1HZ LYS 11 -9.012 3.417 -4.983
73 HZ3 LYS 11 2HZ LYS 11 -7.651 2.725 -5.530
74 H CYS 12 H CYS 12 -1.257 2.104 -3.118
75 HA CYS 12 HA CYS 12 1.347 3.148 -2.474
76 HB2 CYS 12 1HB CYS 12 0.924 0.822 -2.995
77 HB3 CYS 12 2HB CYS 12 0.390 1.257 -4.628
78 HA PRO 13 HA PRO 13 1.410 6.321 -5.739
79 HB2 PRO 13 1HB PRO 13 4.027 7.086 -5.574
80 HB3 PRO 13 2HB PRO 13 2.813 7.505 -4.333
81 HG2 PRO 13 1HG PRO 13 4.839 5.266 -4.261
82 HG3 PRO 13 2HG PRO 13 4.424 6.431 -2.970
83 HD2 PRO 13 1HD PRO 13 3.368 3.895 -3.120
84 HD3 PRO 13 2HD PRO 13 2.460 5.265 -2.420
85 H GLN 14 H GLN 14 3.074 3.290 -5.744
86 HA GLN 14 HA GLN 14 4.069 3.662 -8.543
87 HB2 GLN 14 1HB GLN 14 4.843 1.459 -6.635
88 HB3 GLN 14 2HB GLN 14 5.646 1.932 -8.119
89 HG2 GLN 14 1HG GLN 14 5.563 3.539 -5.521
90 HG3 GLN 14 2HG GLN 14 6.897 2.556 -6.087
91 HE21 GLN 14 1HE2 GLN 14 7.616 5.023 -5.471
92 HE22 GLN 14 2HE2 GLN 14 7.850 5.996 -6.918
93 H CYS 15 H CYS 15 1.981 1.662 -6.528
94 HA CYS 15 HA CYS 15 1.297 -0.102 -8.855
95 HB2 CYS 15 1HB CYS 15 0.837 -0.741 -5.938
96 HB3 CYS 15 2HB CYS 15 0.868 -1.848 -7.306
97 H SER 16 H SER 16 -0.895 -1.155 -8.624
98 HA SER 16 HA SER 16 -3.090 0.716 -8.089
99 HB2 SER 16 1HB SER 16 -3.166 -2.258 -8.719
100 HB3 SER 16 2HB SER 16 -4.533 -1.129 -8.776
101 HG SER 16 HG SER 16 -3.517 -1.561 -10.847
102 H TYR 17 H TYR 17 -1.157 -0.968 -6.019
103 HA TYR 17 HA TYR 17 -2.810 -2.437 -4.279
104 HB2 TYR 17 1HB TYR 17 -0.396 -2.642 -4.307
105 HB3 TYR 17 2HB TYR 17 -0.198 -0.967 -3.830
106 HD1 TYR 17 1HD TYR 17 -0.605 -0.220 -1.492
107 HD2 TYR 17 2HD TYR 17 -1.030 -4.360 -2.667
108 HE1 TYR 17 1HE TYR 17 -0.527 -0.894 0.878
109 HE2 TYR 17 2HE TYR 17 -0.948 -5.032 -0.265
110 HH TYR 17 HH TYR 17 -0.474 -2.650 2.356
111 H ALA 18 H ALA 18 -4.028 -1.982 -2.560
112 HA ALA 18 HA ALA 18 -3.929 0.644 -1.254
113 HB1 ALA 18 1HB ALA 18 -6.533 -0.569 -2.269
114 HB2 ALA 18 2HB ALA 18 -6.338 0.957 -1.370
115 HB3 ALA 18 3HB ALA 18 -5.690 0.807 -3.013
116 H SER 19 H SER 19 -4.546 0.609 0.908
117 HA SER 19 HA SER 19 -5.651 -1.890 2.075
118 HB2 SER 19 1HB SER 19 -3.091 -1.855 2.252
119 HB3 SER 19 2HB SER 19 -3.302 -0.520 3.402
120 HG SER 19 HG SER 19 -4.283 -3.197 3.538
121 H ALA 20 H ALA 20 -6.353 -1.628 4.312
122 HA ALA 20 HA ALA 20 -7.784 0.929 4.732
123 HB1 ALA 20 1HB ALA 20 -9.023 -1.204 4.783
124 HB2 ALA 20 2HB ALA 20 -8.002 -1.767 6.129
125 HB3 ALA 20 3HB ALA 20 -9.085 -0.377 6.349
126 H ILE 21 H ILE 21 -4.790 -0.236 5.624
127 HA ILE 21 HA ILE 21 -4.685 1.364 8.148
128 HB ILE 21 HB ILE 21 -3.527 -1.396 7.635
129 HG12 ILE 21 1HG1 ILE 21 -5.634 -0.474 9.639
130 HG13 ILE 21 2HG1 ILE 21 -5.938 -1.429 8.188
131 HG21 ILE 21 1HG2 ILE 21 -2.619 -1.296 9.933
132 HG22 ILE 21 2HG2 ILE 21 -1.921 -0.071 8.919
133 HG23 ILE 21 3HG2 ILE 21 -3.187 0.383 10.088
134 HD11 ILE 21 3HD1 ILE 21 -4.450 -2.349 10.660
135 HD12 ILE 21 1HD1 ILE 21 -5.980 -2.942 10.003
136 HD13 ILE 21 2HD1 ILE 21 -4.469 -3.247 9.119
137 H LYS 22 H LYS 22 -3.001 2.748 8.269
138 HA LYS 22 HA LYS 22 -1.378 3.329 6.001
139 HB2 LYS 22 1HB LYS 22 -2.124 4.890 7.862
140 HB3 LYS 22 2HB LYS 22 -0.869 4.187 8.884
141 HG2 LYS 22 1HG LYS 22 0.868 4.921 7.267
142 HG3 LYS 22 2HG LYS 22 -0.395 5.554 6.190
143 HD2 LYS 22 1HD LYS 22 -1.092 7.156 7.956
144 HD3 LYS 22 2HD LYS 22 0.172 6.519 9.031
145 HE2 LYS 22 1HE LYS 22 1.905 7.175 7.371
146 HE3 LYS 22 2HE LYS 22 0.646 7.811 6.304
147 HZ1 LYS 22 3HZ LYS 22 1.651 9.575 7.636
148 HZ2 LYS 22 1HZ LYS 22 1.243 8.836 9.031
149 HZ3 LYS 22 2HZ LYS 22 0.080 9.424 8.044
150 H ALA 23 H ALA 23 -0.571 1.508 8.949
151 HA ALA 23 HA ALA 23 2.193 1.122 8.445
152 HB1 ALA 23 1HB ALA 23 1.989 -0.708 10.065
153 HB2 ALA 23 2HB ALA 23 1.063 0.706 10.607
154 HB3 ALA 23 3HB ALA 23 0.223 -0.695 9.896
155 H ASN 24 H ASN 24 -0.622 -0.711 7.181
156 HA ASN 24 HA ASN 24 0.904 -2.851 5.989
157 HB2 ASN 24 1HB ASN 24 -1.827 -1.661 5.330
158 HB3 ASN 24 2HB ASN 24 -1.168 -3.087 4.555
159 HD21 ASN 24 1HD2 ASN 24 -3.526 -3.371 5.647
160 HD22 ASN 24 2HD2 ASN 24 -3.410 -4.355 7.111
161 H LEU 25 H LEU 25 -0.162 0.358 4.736
162 HA LEU 25 HA LEU 25 1.087 0.033 2.166
163 HB2 LEU 25 1HB LEU 25 -0.694 1.662 2.542
164 HB3 LEU 25 2HB LEU 25 0.293 2.521 3.729
165 HG LEU 25 HG LEU 25 1.942 3.105 1.971
166 HD11 LEU 25 1HD1 LEU 25 1.366 2.743 -0.404
167 HD12 LEU 25 2HD1 LEU 25 -0.022 1.734 0.080
168 HD13 LEU 25 3HD1 LEU 25 1.647 1.216 0.415
169 HD21 LEU 25 3HD2 LEU 25 0.059 4.620 2.467
170 HD22 LEU 25 1HD2 LEU 25 -0.884 3.829 1.181
171 HD23 LEU 25 2HD2 LEU 25 0.593 4.720 0.778
172 H ASN 26 H ASN 26 2.288 1.388 5.287
173 HA ASN 26 HA ASN 26 4.808 2.261 4.330
174 HB2 ASN 26 1HB ASN 26 3.797 2.736 6.578
175 HB3 ASN 26 2HB ASN 26 4.168 1.081 7.059
176 HD21 ASN 26 1HD2 ASN 26 5.337 2.307 8.816
177 HD22 ASN 26 2HD2 ASN 26 6.984 2.805 8.461
178 H VAL 27 H VAL 27 3.944 -1.016 5.617
179 HA VAL 27 HA VAL 27 6.498 -2.217 5.072
180 HB VAL 27 HB VAL 27 3.710 -3.405 5.274
181 HG11 VAL 27 1HG1 VAL 27 6.391 -4.859 5.198
182 HG12 VAL 27 2HG1 VAL 27 4.849 -5.590 5.697
183 HG13 VAL 27 3HG1 VAL 27 5.051 -5.034 4.038
184 HG21 VAL 27 3HG2 VAL 27 6.065 -3.375 7.217
185 HG22 VAL 27 1HG2 VAL 27 4.625 -2.350 7.351
186 HG23 VAL 27 2HG2 VAL 27 4.468 -4.102 7.513
187 H HIS 28 H HIS 28 3.605 -1.832 2.962
188 HA HIS 28 HA HIS 28 4.705 -3.317 0.790
189 HB2 HIS 28 1HB HIS 28 2.331 -2.768 0.958
190 HB3 HIS 28 2HB HIS 28 2.677 -1.048 0.829
191 HD1 HIS 28 1HD HIS 28 2.462 -4.172 -1.368
192 HD2 HIS 28 2HD HIS 28 3.295 -0.060 -1.581
193 HE1 HIS 28 1HE HIS 28 2.556 -3.618 -3.842
194 H LEU 29 H LEU 29 4.949 0.168 1.602
195 HA LEU 29 HA LEU 29 6.525 0.942 -0.690
196 HB2 LEU 29 1HB LEU 29 6.247 2.105 2.085
197 HB3 LEU 29 2HB LEU 29 7.193 2.878 0.816
198 HG LEU 29 HG LEU 29 4.307 2.175 0.348
199 HD11 LEU 29 1HD1 LEU 29 3.869 4.558 1.139
200 HD12 LEU 29 2HD1 LEU 29 5.590 4.632 1.637
201 HD13 LEU 29 3HD1 LEU 29 4.490 3.494 2.427
202 HD21 LEU 29 3HD2 LEU 29 6.185 4.254 -0.853
203 HD22 LEU 29 1HD2 LEU 29 4.442 4.163 -1.162
204 HD23 LEU 29 2HD2 LEU 29 5.484 2.835 -1.670
205 H ARG 30 H ARG 30 7.451 -0.418 2.477
206 HA ARG 30 HA ARG 30 10.175 0.202 2.317
207 HB2 ARG 30 1HB ARG 30 8.799 -2.238 3.506
208 HB3 ARG 30 2HB ARG 30 10.545 -2.029 3.576
209 HG2 ARG 30 1HG ARG 30 10.344 0.049 4.822
210 HG3 ARG 30 2HG ARG 30 8.591 0.002 4.701
211 HD2 ARG 30 1HD ARG 30 9.149 -0.812 6.872
212 HD3 ARG 30 2HD ARG 30 8.595 -2.188 5.927
213 HE ARG 30 HE ARG 30 10.880 -2.996 5.731
214 HH11 ARG 30 2HH1 ARG 30 10.727 -0.277 7.967
215 HH12 ARG 30 1HH1 ARG 30 12.276 -0.691 8.652
216 HH21 ARG 30 2HH2 ARG 30 12.713 -3.412 6.561
217 HH22 ARG 30 1HH2 ARG 30 13.409 -2.466 7.881
218 H LYS 31 H LYS 31 8.359 -2.064 0.408
219 HA LYS 31 HA LYS 31 10.670 -3.482 -0.742
220 HB2 LYS 31 1HB LYS 31 7.755 -3.479 -1.621
221 HB3 LYS 31 2HB LYS 31 9.018 -4.582 -2.158
222 HG2 LYS 31 1HG LYS 31 9.257 -5.465 0.148
223 HG3 LYS 31 2HG LYS 31 7.971 -4.376 0.704
224 HD2 LYS 31 1HD LYS 31 6.368 -5.449 -0.853
225 HD3 LYS 31 2HD LYS 31 7.649 -6.558 -1.397
226 HE2 LYS 31 1HE LYS 31 7.913 -7.371 0.952
227 HE3 LYS 31 2HE LYS 31 6.606 -6.296 1.463
228 HZ1 LYS 31 3HZ LYS 31 6.322 -8.526 -0.488
229 HZ2 LYS 31 1HZ LYS 31 5.107 -7.537 -0.020
230 HZ3 LYS 31 2HZ LYS 31 5.796 -8.552 1.056
231 H HIS 32 H HIS 32 8.919 -0.520 -1.442
232 HA HIS 32 HA HIS 32 10.167 -0.279 -4.115
233 HB2 HIS 32 1HB HIS 32 8.413 1.562 -2.458
234 HB3 HIS 32 2HB HIS 32 9.038 1.952 -4.066
235 HD1 HIS 32 1HD HIS 32 8.441 -0.519 -5.762
236 HD2 HIS 32 2HD HIS 32 5.909 0.902 -2.720
237 HE1 HIS 32 1HE HIS 32 6.156 -1.482 -6.269
238 H THR 33 H THR 33 10.739 0.929 -0.792
239 HA THR 33 HA THR 33 12.976 2.622 -1.709
240 HB THR 33 HB THR 33 13.199 3.253 0.639
241 HG1 THR 33 1HG THR 33 11.729 2.467 2.129
242 HG21 THR 33 3HG2 THR 33 11.549 4.441 -0.807
243 HG22 THR 33 1HG2 THR 33 11.085 4.425 0.903
244 HG23 THR 33 2HG2 THR 33 10.279 3.333 -0.243
245 H GLY 34 H GLY 34 12.654 -0.611 -0.427
246 HA2 GLY 34 1HA GLY 34 15.478 -1.224 -0.781
247 HA3 GLY 34 2HA GLY 34 15.000 -1.073 0.912
248 H GLU 35 H GLU 35 15.079 -3.157 1.579
249 HA GLU 35 HA GLU 35 14.690 -5.363 1.838
250 HB2 GLU 35 1HB GLU 35 11.978 -4.759 0.642
251 HB3 GLU 35 2HB GLU 35 12.367 -6.136 1.650
252 HG2 GLU 35 1HG GLU 35 12.532 -3.249 2.614
253 HG3 GLU 35 2HG GLU 35 11.108 -4.269 2.746
254 H LYS 36 H LYS 36 15.910 -4.643 -0.741
255 HA LYS 36 HA LYS 36 15.057 -6.657 -2.689
256 HB2 LYS 36 1HB LYS 36 17.476 -4.808 -2.634
257 HB3 LYS 36 2HB LYS 36 17.039 -5.891 -3.961
258 HG2 LYS 36 1HG LYS 36 14.852 -4.692 -4.208
259 HG3 LYS 36 2HG LYS 36 15.332 -3.588 -2.914
260 HD2 LYS 36 1HD LYS 36 15.712 -2.487 -5.000
261 HD3 LYS 36 2HD LYS 36 17.285 -2.848 -4.274
262 HE2 LYS 36 1HE LYS 36 17.514 -4.828 -5.764
263 HE3 LYS 36 2HE LYS 36 15.918 -4.503 -6.451
264 HZ1 LYS 36 3HZ LYS 36 17.687 -3.616 -7.855
265 HZ2 LYS 36 1HZ LYS 36 18.260 -2.683 -6.647
266 HZ3 LYS 36 2HZ LYS 36 16.785 -2.383 -7.286
Start of MODEL 7
1 H1 GLY 1 1H GLY 1 -18.369 -9.807 -12.829
2 H2 GLY 1 2H GLY 1 -17.480 -10.914 -12.009
3 H3 GLY 1 3H GLY 1 -16.775 -9.979 -13.154
4 HA2 GLY 1 1HA GLY 1 -17.895 -9.017 -10.601
5 HA3 GLY 1 2HA GLY 1 -16.169 -9.190 -10.966
6 H SER 2 H SER 2 -16.063 -6.895 -10.396
7 HA SER 2 HA SER 2 -16.393 -5.139 -12.750
8 HB2 SER 2 1HB SER 2 -17.553 -3.407 -11.546
9 HB3 SER 2 2HB SER 2 -18.491 -4.899 -11.404
10 HG SER 2 HG SER 2 -18.322 -3.878 -9.384
11 H SER 3 H SER 3 -15.377 -2.954 -12.327
12 HA SER 3 HA SER 3 -12.702 -3.283 -11.246
13 HB2 SER 3 1HB SER 3 -14.031 -0.810 -12.403
14 HB3 SER 3 2HB SER 3 -12.293 -1.070 -12.166
15 HG SER 3 HG SER 3 -12.947 -1.501 -14.327
16 H GLY 4 H GLY 4 -15.408 -2.736 -9.491
17 HA2 GLY 4 1HA GLY 4 -14.779 -0.411 -7.909
18 HA3 GLY 4 2HA GLY 4 -15.951 -1.664 -7.521
19 H SER 5 H SER 5 -14.544 -0.474 -5.539
20 HA SER 5 HA SER 5 -12.967 -2.695 -4.370
21 HB2 SER 5 1HB SER 5 -11.146 -1.312 -3.708
22 HB3 SER 5 2HB SER 5 -11.377 -1.034 -5.438
23 HG SER 5 HG SER 5 -11.139 0.949 -4.397
24 H SER 6 H SER 6 -12.466 -2.151 -1.974
25 HA SER 6 HA SER 6 -14.922 -1.604 -0.595
26 HB2 SER 6 1HB SER 6 -12.304 -1.599 0.847
27 HB3 SER 6 2HB SER 6 -13.834 -2.342 1.305
28 HG SER 6 HG SER 6 -13.427 -3.961 -0.276
29 H GLY 7 H GLY 7 -12.906 0.705 -1.920
30 HA2 GLY 7 1HA GLY 7 -12.726 2.989 -1.570
31 HA3 GLY 7 2HA GLY 7 -13.750 2.868 -0.140
32 H LYS 8 H LYS 8 -10.856 0.899 -0.464
33 HA LYS 8 HA LYS 8 -9.664 1.602 2.008
34 HB2 LYS 8 1HB LYS 8 -8.632 0.284 -0.519
35 HB3 LYS 8 2HB LYS 8 -7.587 0.536 0.868
36 HG2 LYS 8 1HG LYS 8 -8.847 -0.875 2.282
37 HG3 LYS 8 2HG LYS 8 -10.254 -0.863 1.215
38 HD2 LYS 8 1HD LYS 8 -9.153 -2.229 -0.436
39 HD3 LYS 8 2HD LYS 8 -7.589 -2.031 0.349
40 HE2 LYS 8 1HE LYS 8 -8.433 -4.257 0.757
41 HE3 LYS 8 2HE LYS 8 -8.299 -3.364 2.270
42 HZ1 LYS 8 3HZ LYS 8 -10.864 -3.733 0.785
43 HZ2 LYS 8 1HZ LYS 8 -10.689 -3.054 2.264
44 HZ3 LYS 8 2HZ LYS 8 -10.392 -4.639 2.055
45 HA PRO 9 HA PRO 9 -8.168 5.575 0.615
46 HB2 PRO 9 1HB PRO 9 -7.323 6.659 2.964
47 HB3 PRO 9 2HB PRO 9 -9.044 6.340 2.606
48 HG2 PRO 9 1HG PRO 9 -7.114 4.661 4.202
49 HG3 PRO 9 2HG PRO 9 -8.780 5.104 4.643
50 HD2 PRO 9 1HD PRO 9 -8.102 2.692 3.491
51 HD3 PRO 9 2HD PRO 9 -9.677 3.479 3.234
52 H TYR 10 H TYR 10 -5.932 3.496 2.508
53 HA TYR 10 HA TYR 10 -3.661 5.178 1.819
54 HB2 TYR 10 1HB TYR 10 -3.740 2.496 3.237
55 HB3 TYR 10 2HB TYR 10 -2.372 3.597 3.157
56 HD1 TYR 10 2HD TYR 10 -2.680 5.985 4.144
57 HD2 TYR 10 1HD TYR 10 -5.391 2.723 4.919
58 HE1 TYR 10 2HE TYR 10 -3.572 7.190 6.138
59 HE2 TYR 10 1HE TYR 10 -6.242 3.895 6.926
60 HH TYR 10 HH TYR 10 -6.115 5.782 8.237
61 H LYS 11 H LYS 11 -3.178 5.144 -0.319
62 HA LYS 11 HA LYS 11 -2.944 2.529 -1.749
63 HB2 LYS 11 1HB LYS 11 -3.487 5.268 -2.936
64 HB3 LYS 11 2HB LYS 11 -3.420 3.720 -3.792
65 HG2 LYS 11 1HG LYS 11 -5.326 2.934 -2.276
66 HG3 LYS 11 2HG LYS 11 -5.478 4.606 -1.731
67 HD2 LYS 11 1HD LYS 11 -5.843 5.325 -4.083
68 HD3 LYS 11 2HD LYS 11 -5.764 3.625 -4.602
69 HE2 LYS 11 1HE LYS 11 -7.684 3.084 -3.120
70 HE3 LYS 11 2HE LYS 11 -7.755 4.763 -2.583
71 HZ1 LYS 11 3HZ LYS 11 -8.263 5.411 -4.882
72 HZ2 LYS 11 1HZ LYS 11 -9.367 4.336 -4.348
73 HZ3 LYS 11 2HZ LYS 11 -8.198 3.855 -5.381
74 H CYS 12 H CYS 12 -1.293 2.081 -3.124
75 HA CYS 12 HA CYS 12 1.294 3.171 -2.477
76 HB2 CYS 12 1HB CYS 12 0.968 0.835 -2.992
77 HB3 CYS 12 2HB CYS 12 0.384 1.240 -4.614
78 HA PRO 13 HA PRO 13 1.291 6.400 -5.657
79 HB2 PRO 13 1HB PRO 13 3.904 7.185 -5.510
80 HB3 PRO 13 2HB PRO 13 2.710 7.545 -4.228
81 HG2 PRO 13 1HG PRO 13 4.730 5.283 -4.314
82 HG3 PRO 13 2HG PRO 13 4.395 6.418 -2.968
83 HD2 PRO 13 1HD PRO 13 3.293 3.920 -3.114
84 HD3 PRO 13 2HD PRO 13 2.393 5.290 -2.406
85 H GLN 14 H GLN 14 2.935 3.377 -5.813
86 HA GLN 14 HA GLN 14 3.768 3.811 -8.662
87 HB2 GLN 14 1HB GLN 14 4.977 2.093 -6.467
88 HB3 GLN 14 2HB GLN 14 5.454 2.018 -8.167
89 HG2 GLN 14 1HG GLN 14 6.178 4.349 -8.133
90 HG3 GLN 14 2HG GLN 14 5.592 4.561 -6.484
91 HE21 GLN 14 1HE2 GLN 14 7.958 2.546 -8.364
92 HE22 GLN 14 2HE2 GLN 14 9.092 2.460 -7.023
93 H CYS 15 H CYS 15 1.907 1.721 -6.527
94 HA CYS 15 HA CYS 15 1.264 -0.096 -8.833
95 HB2 CYS 15 1HB CYS 15 0.843 -0.734 -5.909
96 HB3 CYS 15 2HB CYS 15 0.863 -1.843 -7.277
97 H SER 16 H SER 16 -0.883 -1.202 -8.586
98 HA SER 16 HA SER 16 -3.125 0.612 -8.023
99 HB2 SER 16 1HB SER 16 -3.146 -2.342 -8.742
100 HB3 SER 16 2HB SER 16 -4.525 -1.232 -8.791
101 HG SER 16 HG SER 16 -3.467 -0.063 -10.440
102 H TYR 17 H TYR 17 -1.154 -0.969 -5.961
103 HA TYR 17 HA TYR 17 -2.779 -2.479 -4.197
104 HB2 TYR 17 1HB TYR 17 -0.372 -2.643 -4.178
105 HB3 TYR 17 2HB TYR 17 -0.200 -0.938 -3.807
106 HD1 TYR 17 1HD TYR 17 -0.680 -0.041 -1.523
107 HD2 TYR 17 2HD TYR 17 -0.911 -4.263 -2.424
108 HE1 TYR 17 1HE TYR 17 -0.703 -0.561 0.900
109 HE2 TYR 17 2HE TYR 17 -0.880 -4.772 0.013
110 HH TYR 17 HH TYR 17 -0.787 -3.914 2.125
111 H ALA 18 H ALA 18 -4.056 -1.997 -2.527
112 HA ALA 18 HA ALA 18 -3.985 0.642 -1.249
113 HB1 ALA 18 1HB ALA 18 -6.398 0.949 -1.386
114 HB2 ALA 18 2HB ALA 18 -5.731 0.797 -3.024
115 HB3 ALA 18 3HB ALA 18 -6.580 -0.579 -2.284
116 H SER 19 H SER 19 -4.622 0.620 0.918
117 HA SER 19 HA SER 19 -5.790 -1.849 2.062
118 HB2 SER 19 1HB SER 19 -3.276 -1.993 2.292
119 HB3 SER 19 2HB SER 19 -3.354 -0.565 3.341
120 HG SER 19 HG SER 19 -4.733 -3.054 3.717
121 H ALA 20 H ALA 20 -6.592 -1.591 4.237
122 HA ALA 20 HA ALA 20 -7.785 1.053 4.793
123 HB1 ALA 20 1HB ALA 20 -9.190 -0.975 4.840
124 HB2 ALA 20 2HB ALA 20 -8.157 -1.665 6.115
125 HB3 ALA 20 3HB ALA 20 -9.112 -0.202 6.432
126 H ILE 21 H ILE 21 -4.864 -0.437 5.539
127 HA ILE 21 HA ILE 21 -4.573 1.036 8.132
128 HB ILE 21 HB ILE 21 -3.334 -1.625 7.348
129 HG12 ILE 21 1HG1 ILE 21 -5.544 -1.037 9.369
130 HG13 ILE 21 2HG1 ILE 21 -5.755 -1.858 7.823
131 HG21 ILE 21 1HG2 ILE 21 -3.227 -0.095 9.994
132 HG22 ILE 21 2HG2 ILE 21 -2.465 -1.664 9.661
133 HG23 ILE 21 3HG2 ILE 21 -1.886 -0.237 8.839
134 HD11 ILE 21 3HD1 ILE 21 -5.724 -3.543 9.488
135 HD12 ILE 21 1HD1 ILE 21 -4.192 -3.664 8.598
136 HD13 ILE 21 2HD1 ILE 21 -4.239 -2.926 10.220
137 H LYS 22 H LYS 22 -3.104 2.595 8.081
138 HA LYS 22 HA LYS 22 -1.493 3.229 5.828
139 HB2 LYS 22 1HB LYS 22 -2.381 4.756 7.655
140 HB3 LYS 22 2HB LYS 22 -1.079 4.180 8.698
141 HG2 LYS 22 1HG LYS 22 0.599 5.038 7.088
142 HG3 LYS 22 2HG LYS 22 -0.698 5.534 5.984
143 HD2 LYS 22 1HD LYS 22 -1.595 7.043 7.774
144 HD3 LYS 22 2HD LYS 22 -0.221 6.627 8.800
145 HE2 LYS 22 1HE LYS 22 -0.027 7.913 6.033
146 HE3 LYS 22 2HE LYS 22 -0.024 8.811 7.551
147 HZ1 LYS 22 3HZ LYS 22 2.033 6.821 6.759
148 HZ2 LYS 22 1HZ LYS 22 2.009 7.624 8.186
149 HZ3 LYS 22 2HZ LYS 22 2.229 8.438 6.791
150 H ALA 23 H ALA 23 -0.609 1.513 8.811
151 HA ALA 23 HA ALA 23 2.188 1.302 8.293
152 HB1 ALA 23 1HB ALA 23 0.349 -0.527 9.878
153 HB2 ALA 23 2HB ALA 23 2.120 -0.442 10.006
154 HB3 ALA 23 3HB ALA 23 1.136 0.955 10.489
155 H ASN 24 H ASN 24 -0.536 -0.619 7.024
156 HA ASN 24 HA ASN 24 1.112 -2.793 6.049
157 HB2 ASN 24 1HB ASN 24 -1.428 -2.744 6.547
158 HB3 ASN 24 2HB ASN 24 -1.606 -1.933 4.992
159 HD21 ASN 24 1HD2 ASN 24 -2.968 -3.805 4.562
160 HD22 ASN 24 2HD2 ASN 24 -2.228 -5.334 4.073
161 H LEU 25 H LEU 25 -0.104 0.272 4.640
162 HA LEU 25 HA LEU 25 1.179 -0.015 2.082
163 HB2 LEU 25 1HB LEU 25 -0.633 1.566 2.413
164 HB3 LEU 25 2HB LEU 25 0.264 2.413 3.674
165 HG LEU 25 HG LEU 25 1.959 3.147 2.032
166 HD11 LEU 25 1HD1 LEU 25 1.554 2.840 -0.378
167 HD12 LEU 25 2HD1 LEU 25 0.165 1.779 -0.019
168 HD13 LEU 25 3HD1 LEU 25 1.819 1.289 0.405
169 HD21 LEU 25 3HD2 LEU 25 0.566 4.733 0.820
170 HD22 LEU 25 1HD2 LEU 25 -0.012 4.550 2.485
171 HD23 LEU 25 2HD2 LEU 25 -0.874 3.751 1.151
172 H ASN 26 H ASN 26 2.281 1.410 5.208
173 HA ASN 26 HA ASN 26 4.816 2.321 4.350
174 HB2 ASN 26 1HB ASN 26 3.665 2.755 6.530
175 HB3 ASN 26 2HB ASN 26 4.089 1.126 7.050
176 HD21 ASN 26 1HD2 ASN 26 4.838 3.888 8.061
177 HD22 ASN 26 2HD2 ASN 26 6.590 3.813 8.149
178 H VAL 27 H VAL 27 3.986 -0.980 5.602
179 HA VAL 27 HA VAL 27 6.559 -2.137 5.071
180 HB VAL 27 HB VAL 27 3.797 -3.372 5.262
181 HG11 VAL 27 1HG1 VAL 27 6.500 -4.780 5.168
182 HG12 VAL 27 2HG1 VAL 27 4.972 -5.539 5.668
183 HG13 VAL 27 3HG1 VAL 27 5.160 -4.969 4.012
184 HG21 VAL 27 3HG2 VAL 27 4.706 -2.310 7.340
185 HG22 VAL 27 1HG2 VAL 27 4.573 -4.065 7.494
186 HG23 VAL 27 2HG2 VAL 27 6.159 -3.316 7.196
187 H HIS 28 H HIS 28 3.678 -1.828 2.933
188 HA HIS 28 HA HIS 28 4.791 -3.299 0.776
189 HB2 HIS 28 1HB HIS 28 2.422 -2.720 0.922
190 HB3 HIS 28 2HB HIS 28 2.789 -1.007 0.795
191 HD1 HIS 28 1HD HIS 28 2.565 -4.123 -1.418
192 HD2 HIS 28 2HD HIS 28 3.371 -0.004 -1.605
193 HE1 HIS 28 1HE HIS 28 2.617 -3.541 -3.889
194 H LEU 29 H LEU 29 5.095 0.175 1.587
195 HA LEU 29 HA LEU 29 6.691 0.901 -0.714
196 HB2 LEU 29 1HB LEU 29 6.436 2.121 2.034
197 HB3 LEU 29 2HB LEU 29 7.344 2.874 0.732
198 HG LEU 29 HG LEU 29 4.447 2.142 0.333
199 HD11 LEU 29 1HD1 LEU 29 5.727 4.613 1.587
200 HD12 LEU 29 2HD1 LEU 29 4.656 3.462 2.398
201 HD13 LEU 29 3HD1 LEU 29 3.998 4.516 1.121
202 HD21 LEU 29 3HD2 LEU 29 4.504 4.082 -1.217
203 HD22 LEU 29 1HD2 LEU 29 5.599 2.797 -1.714
204 HD23 LEU 29 2HD2 LEU 29 6.246 4.256 -0.926
205 H ARG 30 H ARG 30 7.573 -0.451 2.468
206 HA ARG 30 HA ARG 30 10.318 0.157 2.293
207 HB2 ARG 30 1HB ARG 30 8.909 -2.193 3.629
208 HB3 ARG 30 2HB ARG 30 10.646 -1.936 3.779
209 HG2 ARG 30 1HG ARG 30 10.362 0.182 4.885
210 HG3 ARG 30 2HG ARG 30 8.638 0.195 4.558
211 HD2 ARG 30 1HD ARG 30 8.558 -2.040 5.909
212 HD3 ARG 30 2HD ARG 30 10.177 -1.578 6.468
213 HE ARG 30 HE ARG 30 8.120 0.517 6.721
214 HH11 ARG 30 1HH1 ARG 30 9.510 -2.205 8.458
215 HH12 ARG 30 2HH1 ARG 30 8.936 -1.610 9.992
216 HH21 ARG 30 2HH2 ARG 30 7.463 1.196 8.628
217 HH22 ARG 30 1HH2 ARG 30 7.795 0.299 10.096
218 H LYS 31 H LYS 31 8.480 -2.099 0.468
219 HA LYS 31 HA LYS 31 10.747 -3.645 -0.618
220 HB2 LYS 31 1HB LYS 31 7.851 -3.508 -1.552
221 HB3 LYS 31 2HB LYS 31 9.070 -4.672 -2.062
222 HG2 LYS 31 1HG LYS 31 9.222 -5.566 0.237
223 HG3 LYS 31 2HG LYS 31 8.002 -4.402 0.787
224 HD2 LYS 31 1HD LYS 31 6.366 -5.352 -0.822
225 HD3 LYS 31 2HD LYS 31 7.544 -6.580 -1.302
226 HE2 LYS 31 1HE LYS 31 6.479 -6.176 1.536
227 HE3 LYS 31 2HE LYS 31 5.819 -7.335 0.381
228 HZ1 LYS 31 3HZ LYS 31 7.397 -8.415 1.850
229 HZ2 LYS 31 1HZ LYS 31 8.596 -7.393 1.435
230 HZ3 LYS 31 2HZ LYS 31 7.993 -8.441 0.334
231 H HIS 32 H HIS 32 8.945 -0.696 -1.486
232 HA HIS 32 HA HIS 32 10.211 -0.521 -4.135
233 HB2 HIS 32 1HB HIS 32 8.552 1.418 -2.485
234 HB3 HIS 32 2HB HIS 32 9.197 1.777 -4.084
235 HD1 HIS 32 1HD HIS 32 8.475 -0.582 -5.843
236 HD2 HIS 32 2HD HIS 32 6.021 0.878 -2.757
237 HE1 HIS 32 1HE HIS 32 6.132 -1.351 -6.406
238 H THR 33 H THR 33 10.822 0.892 -0.890
239 HA THR 33 HA THR 33 13.571 1.535 -1.758
240 HB THR 33 HB THR 33 12.327 3.551 -2.339
241 HG1 THR 33 1HG THR 33 13.693 4.937 -1.250
242 HG21 THR 33 3HG2 THR 33 11.365 5.032 -0.675
243 HG22 THR 33 1HG2 THR 33 11.727 3.886 0.632
244 HG23 THR 33 2HG2 THR 33 10.522 3.477 -0.608
245 H GLY 34 H GLY 34 15.072 1.660 -0.186
246 HA2 GLY 34 1HA GLY 34 14.483 1.725 2.664
247 HA3 GLY 34 2HA GLY 34 15.011 0.131 2.100
248 H GLU 35 H GLU 35 16.159 3.184 0.705
249 HA GLU 35 HA GLU 35 18.908 2.267 0.969
250 HB2 GLU 35 1HB GLU 35 17.843 4.862 -0.201
251 HB3 GLU 35 2HB GLU 35 19.455 4.190 -0.426
252 HG2 GLU 35 1HG GLU 35 16.828 3.056 -1.469
253 HG3 GLU 35 2HG GLU 35 18.113 3.796 -2.408
254 H LYS 36 H LYS 36 20.689 3.471 1.749
255 HA LYS 36 HA LYS 36 20.284 5.626 3.707
256 HB2 LYS 36 1HB LYS 36 21.462 4.471 5.500
257 HB3 LYS 36 2HB LYS 36 19.964 3.646 5.074
258 HG2 LYS 36 1HG LYS 36 21.267 1.938 3.796
259 HG3 LYS 36 2HG LYS 36 22.762 2.796 4.188
260 HD2 LYS 36 1HD LYS 36 22.550 0.907 5.654
261 HD3 LYS 36 2HD LYS 36 22.365 2.386 6.607
262 HE2 LYS 36 1HE LYS 36 19.895 2.101 6.571
263 HE3 LYS 36 2HE LYS 36 20.070 0.652 5.570
264 HZ1 LYS 36 3HZ LYS 36 19.806 0.088 7.918
265 HZ2 LYS 36 1HZ LYS 36 21.125 0.953 8.335
266 HZ3 LYS 36 2HZ LYS 36 21.282 -0.388 7.413
Start of MODEL 8
1 H1 GLY 1 1H GLY 1 -6.207 -12.169 -8.988
2 H2 GLY 1 2H GLY 1 -6.920 -13.213 -7.945
3 H3 GLY 1 3H GLY 1 -5.554 -12.420 -7.508
4 HA2 GLY 1 1HA GLY 1 -8.165 -11.156 -8.031
5 HA3 GLY 1 2HA GLY 1 -7.474 -11.444 -6.425
6 H SER 2 H SER 2 -8.257 -8.896 -7.592
7 HA SER 2 HA SER 2 -6.006 -7.388 -8.505
8 HB2 SER 2 1HB SER 2 -8.541 -6.413 -7.135
9 HB3 SER 2 2HB SER 2 -7.416 -5.431 -8.093
10 HG SER 2 HG SER 2 -9.229 -6.138 -9.327
11 H SER 3 H SER 3 -4.690 -5.865 -7.495
12 HA SER 3 HA SER 3 -3.765 -6.509 -4.878
13 HB2 SER 3 1HB SER 3 -3.126 -4.052 -6.547
14 HB3 SER 3 2HB SER 3 -2.150 -4.733 -5.231
15 HG SER 3 HG SER 3 -1.379 -5.400 -7.286
16 H GLY 4 H GLY 4 -6.293 -4.326 -5.763
17 HA2 GLY 4 1HA GLY 4 -6.990 -3.633 -3.108
18 HA3 GLY 4 2HA GLY 4 -6.037 -2.308 -3.786
19 H SER 5 H SER 5 -8.348 -1.510 -3.100
20 HA SER 5 HA SER 5 -9.920 -1.097 -5.596
21 HB2 SER 5 1HB SER 5 -11.097 -1.583 -2.828
22 HB3 SER 5 2HB SER 5 -12.002 -1.093 -4.273
23 HG SER 5 HG SER 5 -12.094 -3.362 -3.920
24 H SER 6 H SER 6 -10.646 1.003 -5.877
25 HA SER 6 HA SER 6 -9.033 3.015 -4.891
26 HB2 SER 6 1HB SER 6 -11.809 3.358 -6.085
27 HB3 SER 6 2HB SER 6 -10.507 4.564 -6.066
28 HG SER 6 HG SER 6 -10.605 3.420 -8.061
29 H GLY 7 H GLY 7 -12.037 1.956 -3.409
30 HA2 GLY 7 1HA GLY 7 -12.571 4.308 -1.822
31 HA3 GLY 7 2HA GLY 7 -13.237 2.691 -1.588
32 H LYS 8 H LYS 8 -10.229 1.751 -1.384
33 HA LYS 8 HA LYS 8 -9.889 2.130 1.524
34 HB2 LYS 8 1HB LYS 8 -8.390 0.622 -0.629
35 HB3 LYS 8 2HB LYS 8 -7.707 0.852 0.976
36 HG2 LYS 8 1HG LYS 8 -9.610 -0.249 2.029
37 HG3 LYS 8 2HG LYS 8 -10.441 -0.383 0.469
38 HD2 LYS 8 1HD LYS 8 -8.638 -1.860 -0.378
39 HD3 LYS 8 2HD LYS 8 -7.791 -1.721 1.177
40 HE2 LYS 8 1HE LYS 8 -9.748 -2.711 2.338
41 HE3 LYS 8 2HE LYS 8 -10.607 -2.836 0.799
42 HZ1 LYS 8 3HZ LYS 8 -8.070 -4.254 1.441
43 HZ2 LYS 8 1HZ LYS 8 -8.888 -4.379 0.029
44 HZ3 LYS 8 2HZ LYS 8 -9.551 -4.939 1.408
45 HA PRO 9 HA PRO 9 -7.864 5.944 0.731
46 HB2 PRO 9 1HB PRO 9 -6.980 6.664 3.214
47 HB3 PRO 9 2HB PRO 9 -8.703 6.589 2.761
48 HG2 PRO 9 1HG PRO 9 -7.070 4.524 4.227
49 HG3 PRO 9 2HG PRO 9 -8.695 5.115 4.641
50 HD2 PRO 9 1HD PRO 9 -8.237 2.770 3.255
51 HD3 PRO 9 2HD PRO 9 -9.677 3.775 3.014
52 H TYR 10 H TYR 10 -5.835 3.554 2.525
53 HA TYR 10 HA TYR 10 -3.430 5.073 1.916
54 HB2 TYR 10 1HB TYR 10 -3.733 2.380 3.272
55 HB3 TYR 10 2HB TYR 10 -2.280 3.365 3.205
56 HD1 TYR 10 2HD TYR 10 -2.281 5.671 4.306
57 HD2 TYR 10 1HD TYR 10 -5.477 2.830 4.871
58 HE1 TYR 10 2HE TYR 10 -3.057 6.933 6.307
59 HE2 TYR 10 1HE TYR 10 -6.202 4.043 6.905
60 HH TYR 10 HH TYR 10 -4.575 7.039 8.025
61 H LYS 11 H LYS 11 -3.098 5.093 -0.223
62 HA LYS 11 HA LYS 11 -2.938 2.540 -1.779
63 HB2 LYS 11 1HB LYS 11 -3.788 5.359 -2.497
64 HB3 LYS 11 2HB LYS 11 -3.322 4.191 -3.744
65 HG2 LYS 11 1HG LYS 11 -5.002 2.654 -3.149
66 HG3 LYS 11 2HG LYS 11 -5.398 3.475 -1.640
67 HD2 LYS 11 1HD LYS 11 -5.907 4.643 -4.410
68 HD3 LYS 11 2HD LYS 11 -7.087 3.736 -3.446
69 HE2 LYS 11 1HE LYS 11 -6.710 5.414 -1.571
70 HE3 LYS 11 2HE LYS 11 -5.797 6.400 -2.721
71 HZ1 LYS 11 3HZ LYS 11 -8.130 7.077 -2.623
72 HZ2 LYS 11 1HZ LYS 11 -8.650 5.577 -3.017
73 HZ3 LYS 11 2HZ LYS 11 -7.821 6.479 -4.110
74 H CYS 12 H CYS 12 -1.312 2.069 -3.112
75 HA CYS 12 HA CYS 12 1.280 3.126 -2.465
76 HB2 CYS 12 1HB CYS 12 0.933 0.796 -2.925
77 HB3 CYS 12 2HB CYS 12 0.341 1.159 -4.558
78 HA PRO 13 HA PRO 13 1.428 6.284 -5.701
79 HB2 PRO 13 1HB PRO 13 4.063 6.992 -5.538
80 HB3 PRO 13 2HB PRO 13 2.867 7.403 -4.273
81 HG2 PRO 13 1HG PRO 13 4.816 5.077 -4.317
82 HG3 PRO 13 2HG PRO 13 4.508 6.238 -2.986
83 HD2 PRO 13 1HD PRO 13 3.325 3.780 -3.106
84 HD3 PRO 13 2HD PRO 13 2.460 5.190 -2.433
85 H GLN 14 H GLN 14 2.954 3.194 -5.848
86 HA GLN 14 HA GLN 14 3.709 3.614 -8.725
87 HB2 GLN 14 1HB GLN 14 5.005 1.781 -6.678
88 HB3 GLN 14 2HB GLN 14 5.388 1.848 -8.405
89 HG2 GLN 14 1HG GLN 14 5.993 4.288 -8.112
90 HG3 GLN 14 2HG GLN 14 5.767 4.088 -6.373
91 HE21 GLN 14 1HE2 GLN 14 8.101 4.874 -6.392
92 HE22 GLN 14 2HE2 GLN 14 9.341 3.646 -6.606
93 H CYS 15 H CYS 15 1.905 1.545 -6.517
94 HA CYS 15 HA CYS 15 1.229 -0.302 -8.785
95 HB2 CYS 15 1HB CYS 15 0.836 -0.892 -5.850
96 HB3 CYS 15 2HB CYS 15 0.875 -2.024 -7.199
97 H SER 16 H SER 16 -0.899 -1.448 -8.442
98 HA SER 16 HA SER 16 -3.151 0.399 -7.883
99 HB2 SER 16 1HB SER 16 -3.134 -2.496 -8.817
100 HB3 SER 16 2HB SER 16 -4.572 -1.475 -8.632
101 HG SER 16 HG SER 16 -2.362 -0.962 -10.371
102 H TYR 17 H TYR 17 -1.167 -1.029 -5.857
103 HA TYR 17 HA TYR 17 -2.732 -2.617 -4.067
104 HB2 TYR 17 1HB TYR 17 -0.322 -2.741 -4.098
105 HB3 TYR 17 2HB TYR 17 -0.177 -1.033 -3.723
106 HD1 TYR 17 1HD TYR 17 -0.656 -0.154 -1.441
107 HD2 TYR 17 2HD TYR 17 -0.843 -4.376 -2.353
108 HE1 TYR 17 1HE TYR 17 -0.682 -0.681 0.982
109 HE2 TYR 17 2HE TYR 17 -0.800 -4.892 0.083
110 HH TYR 17 HH TYR 17 -0.708 -4.036 2.197
111 H ALA 18 H ALA 18 -4.052 -2.106 -2.421
112 HA ALA 18 HA ALA 18 -4.034 0.597 -1.267
113 HB1 ALA 18 1HB ALA 18 -6.657 -0.610 -2.199
114 HB2 ALA 18 2HB ALA 18 -6.341 1.033 -1.597
115 HB3 ALA 18 3HB ALA 18 -5.724 0.536 -3.183
116 H SER 19 H SER 19 -4.642 0.701 0.841
117 HA SER 19 HA SER 19 -5.618 -1.747 2.255
118 HB2 SER 19 1HB SER 19 -3.173 -1.637 2.437
119 HB3 SER 19 2HB SER 19 -3.283 0.024 3.052
120 HG SER 19 HG SER 19 -3.313 -1.021 4.880
121 H ALA 20 H ALA 20 -6.654 -1.396 4.224
122 HA ALA 20 HA ALA 20 -7.871 1.266 4.688
123 HB1 ALA 20 1HB ALA 20 -9.324 -0.713 4.614
124 HB2 ALA 20 2HB ALA 20 -8.409 -1.448 5.954
125 HB3 ALA 20 3HB ALA 20 -9.343 0.041 6.217
126 H ILE 21 H ILE 21 -5.054 -0.252 5.579
127 HA ILE 21 HA ILE 21 -4.792 1.222 8.172
128 HB ILE 21 HB ILE 21 -3.643 -1.520 7.519
129 HG12 ILE 21 1HG1 ILE 21 -5.936 -0.835 9.414
130 HG13 ILE 21 2HG1 ILE 21 -6.099 -1.656 7.860
131 HG21 ILE 21 1HG2 ILE 21 -3.625 0.076 10.128
132 HG22 ILE 21 2HG2 ILE 21 -2.922 -1.537 9.886
133 HG23 ILE 21 3HG2 ILE 21 -2.224 -0.169 9.059
134 HD11 ILE 21 3HD1 ILE 21 -6.187 -3.349 9.507
135 HD12 ILE 21 1HD1 ILE 21 -4.603 -3.492 8.713
136 HD13 ILE 21 2HD1 ILE 21 -4.738 -2.758 10.331
137 H LYS 22 H LYS 22 -3.098 2.565 8.249
138 HA LYS 22 HA LYS 22 -1.439 3.124 6.015
139 HB2 LYS 22 1HB LYS 22 -2.156 4.669 7.901
140 HB3 LYS 22 2HB LYS 22 -0.937 3.908 8.922
141 HG2 LYS 22 1HG LYS 22 0.843 4.630 7.347
142 HG3 LYS 22 2HG LYS 22 -0.384 5.326 6.270
143 HD2 LYS 22 1HD LYS 22 -1.063 6.900 8.073
144 HD3 LYS 22 2HD LYS 22 0.173 6.200 9.142
145 HE2 LYS 22 1HE LYS 22 1.939 6.855 7.514
146 HE3 LYS 22 2HE LYS 22 0.707 7.553 6.456
147 HZ1 LYS 22 3HZ LYS 22 1.744 9.253 7.845
148 HZ2 LYS 22 1HZ LYS 22 1.305 8.487 9.215
149 HZ3 LYS 22 2HZ LYS 22 0.166 9.132 8.235
150 H ALA 23 H ALA 23 -0.663 1.264 8.956
151 HA ALA 23 HA ALA 23 2.114 0.960 8.472
152 HB1 ALA 23 1HB ALA 23 1.017 0.576 10.631
153 HB2 ALA 23 2HB ALA 23 0.188 -0.859 9.964
154 HB3 ALA 23 3HB ALA 23 1.960 -0.840 10.127
155 H ASN 24 H ASN 24 -0.625 -0.912 7.192
156 HA ASN 24 HA ASN 24 0.882 -3.093 6.084
157 HB2 ASN 24 1HB ASN 24 -1.693 -2.733 6.514
158 HB3 ASN 24 2HB ASN 24 -1.650 -1.896 4.962
159 HD21 ASN 24 1HD2 ASN 24 -3.269 -3.513 4.409
160 HD22 ASN 24 2HD2 ASN 24 -2.735 -5.121 3.919
161 H LEU 25 H LEU 25 -0.144 0.088 4.746
162 HA LEU 25 HA LEU 25 1.154 -0.201 2.195
163 HB2 LEU 25 1HB LEU 25 -0.657 1.408 2.548
164 HB3 LEU 25 2HB LEU 25 0.284 2.251 3.779
165 HG LEU 25 HG LEU 25 1.982 2.875 2.065
166 HD11 LEU 25 1HD1 LEU 25 1.434 2.608 -0.326
167 HD12 LEU 25 2HD1 LEU 25 0.001 1.641 0.109
168 HD13 LEU 25 3HD1 LEU 25 1.640 1.039 0.450
169 HD21 LEU 25 3HD2 LEU 25 -0.826 3.688 1.299
170 HD22 LEU 25 1HD2 LEU 25 0.671 4.562 0.930
171 HD23 LEU 25 2HD2 LEU 25 0.133 4.406 2.613
172 H ASN 26 H ASN 26 2.238 1.190 5.332
173 HA ASN 26 HA ASN 26 4.773 2.132 4.526
174 HB2 ASN 26 1HB ASN 26 3.659 2.541 6.689
175 HB3 ASN 26 2HB ASN 26 3.934 0.869 7.160
176 HD21 ASN 26 1HD2 ASN 26 4.839 3.497 8.340
177 HD22 ASN 26 2HD2 ASN 26 6.571 3.265 8.517
178 H VAL 27 H VAL 27 3.960 -1.216 5.671
179 HA VAL 27 HA VAL 27 6.550 -2.325 5.139
180 HB VAL 27 HB VAL 27 3.806 -3.607 5.255
181 HG11 VAL 27 1HG1 VAL 27 5.217 -5.130 3.955
182 HG12 VAL 27 2HG1 VAL 27 6.535 -4.962 5.140
183 HG13 VAL 27 3HG1 VAL 27 5.013 -5.768 5.586
184 HG21 VAL 27 3HG2 VAL 27 6.144 -3.573 7.218
185 HG22 VAL 27 1HG2 VAL 27 4.666 -2.603 7.376
186 HG23 VAL 27 2HG2 VAL 27 4.570 -4.364 7.469
187 H HIS 28 H HIS 28 3.685 -2.007 2.982
188 HA HIS 28 HA HIS 28 4.834 -3.403 0.789
189 HB2 HIS 28 1HB HIS 28 2.450 -2.881 0.965
190 HB3 HIS 28 2HB HIS 28 2.778 -1.159 0.860
191 HD1 HIS 28 1HD HIS 28 2.650 -4.254 -1.390
192 HD2 HIS 28 2HD HIS 28 3.298 -0.105 -1.528
193 HE1 HIS 28 1HE HIS 28 2.677 -3.644 -3.854
194 H LEU 29 H LEU 29 5.060 0.054 1.683
195 HA LEU 29 HA LEU 29 6.558 0.891 -0.640
196 HB2 LEU 29 1HB LEU 29 6.315 2.041 2.140
197 HB3 LEU 29 2HB LEU 29 7.158 2.864 0.830
198 HG LEU 29 HG LEU 29 4.294 2.002 0.491
199 HD11 LEU 29 1HD1 LEU 29 5.504 4.513 1.736
200 HD12 LEU 29 2HD1 LEU 29 4.502 3.311 2.562
201 HD13 LEU 29 3HD1 LEU 29 3.769 4.354 1.314
202 HD21 LEU 29 3HD2 LEU 29 5.957 4.202 -0.802
203 HD22 LEU 29 1HD2 LEU 29 4.214 3.960 -1.030
204 HD23 LEU 29 2HD2 LEU 29 5.339 2.726 -1.583
205 H ARG 30 H ARG 30 7.613 -0.504 2.454
206 HA ARG 30 HA ARG 30 10.302 0.296 2.304
207 HB2 ARG 30 1HB ARG 30 9.114 -2.311 3.352
208 HB3 ARG 30 2HB ARG 30 10.817 -1.905 3.555
209 HG2 ARG 30 1HG ARG 30 10.340 -0.001 4.927
210 HG3 ARG 30 2HG ARG 30 8.631 -0.050 4.527
211 HD2 ARG 30 1HD ARG 30 8.653 -2.441 5.589
212 HD3 ARG 30 2HD ARG 30 10.202 -1.936 6.291
213 HE ARG 30 HE ARG 30 8.057 0.013 6.698
214 HH11 ARG 30 2HH1 ARG 30 9.312 -2.966 8.085
215 HH12 ARG 30 1HH1 ARG 30 8.568 -2.642 9.627
216 HH21 ARG 30 2HH2 ARG 30 7.193 0.354 8.604
217 HH22 ARG 30 1HH2 ARG 30 7.385 -0.777 9.932
218 H LYS 31 H LYS 31 8.622 -2.020 0.369
219 HA LYS 31 HA LYS 31 10.952 -3.290 -0.885
220 HB2 LYS 31 1HB LYS 31 8.016 -3.283 -1.704
221 HB3 LYS 31 2HB LYS 31 9.279 -4.328 -2.351
222 HG2 LYS 31 1HG LYS 31 9.602 -5.374 -0.142
223 HG3 LYS 31 2HG LYS 31 8.364 -4.320 0.568
224 HD2 LYS 31 1HD LYS 31 6.645 -5.276 -0.903
225 HD3 LYS 31 2HD LYS 31 7.865 -6.322 -1.672
226 HE2 LYS 31 1HE LYS 31 8.345 -7.350 0.555
227 HE3 LYS 31 2HE LYS 31 7.089 -6.339 1.284
228 HZ1 LYS 31 3HZ LYS 31 6.247 -8.553 0.738
229 HZ2 LYS 31 1HZ LYS 31 6.629 -8.376 -0.836
230 HZ3 LYS 31 2HZ LYS 31 5.462 -7.446 -0.168
231 H HIS 32 H HIS 32 8.959 -0.421 -1.510
232 HA HIS 32 HA HIS 32 10.157 0.024 -4.166
233 HB2 HIS 32 1HB HIS 32 8.314 1.658 -2.391
234 HB3 HIS 32 2HB HIS 32 8.880 2.182 -3.981
235 HD1 HIS 32 1HD HIS 32 8.397 -0.112 -5.870
236 HD2 HIS 32 2HD HIS 32 5.865 0.816 -2.647
237 HE1 HIS 32 1HE HIS 32 6.186 -1.219 -6.400
238 H THR 33 H THR 33 10.676 1.254 -0.823
239 HA THR 33 HA THR 33 12.661 3.208 -1.709
240 HB THR 33 HB THR 33 13.087 3.557 0.687
241 HG1 THR 33 1HG THR 33 11.849 2.468 2.179
242 HG21 THR 33 3HG2 THR 33 10.905 4.485 1.269
243 HG22 THR 33 1HG2 THR 33 10.106 3.490 0.034
244 HG23 THR 33 2HG2 THR 33 11.237 4.776 -0.446
245 H GLY 34 H GLY 34 12.843 -0.062 -0.279
246 HA2 GLY 34 1HA GLY 34 14.512 -1.641 -0.421
247 HA3 GLY 34 2HA GLY 34 15.314 -0.629 -1.616
248 H GLU 35 H GLU 35 17.270 -1.430 -0.659
249 HA GLU 35 HA GLU 35 18.053 -0.238 1.971
250 HB2 GLU 35 1HB GLU 35 19.150 -2.662 0.501
251 HB3 GLU 35 2HB GLU 35 19.748 -2.039 2.043
252 HG2 GLU 35 1HG GLU 35 17.503 -2.410 3.061
253 HG3 GLU 35 2HG GLU 35 16.949 -3.135 1.549
254 H LYS 36 H LYS 36 18.363 0.630 -1.118
255 HA LYS 36 HA LYS 36 20.899 2.079 -0.708
256 HB2 LYS 36 1HB LYS 36 21.565 -0.055 -1.794
257 HB3 LYS 36 2HB LYS 36 20.410 0.237 -3.091
258 HG2 LYS 36 1HG LYS 36 22.644 0.766 -3.842
259 HG3 LYS 36 2HG LYS 36 21.680 2.240 -3.795
260 HD2 LYS 36 1HD LYS 36 22.781 2.881 -1.637
261 HD3 LYS 36 2HD LYS 36 23.671 1.355 -1.655
262 HE2 LYS 36 1HE LYS 36 25.163 3.051 -2.420
263 HE3 LYS 36 2HE LYS 36 24.754 2.041 -3.808
264 HZ1 LYS 36 3HZ LYS 36 23.523 4.683 -3.200
265 HZ2 LYS 36 1HZ LYS 36 23.181 3.769 -4.512
266 HZ3 LYS 36 2HZ LYS 36 24.664 4.422 -4.337
Start of MODEL 9
1 H1 GLY 1 1H GLY 1 -17.878 -2.270 -5.895
2 H2 GLY 1 2H GLY 1 -17.646 -3.865 -5.618
3 H3 GLY 1 3H GLY 1 -18.513 -2.966 -4.554
4 HA2 GLY 1 1HA GLY 1 -19.301 -3.555 -7.337
5 HA3 GLY 1 2HA GLY 1 -19.982 -4.345 -5.903
6 H SER 2 H SER 2 -21.648 -3.339 -4.800
7 HA SER 2 HA SER 2 -23.053 -1.138 -5.922
8 HB2 SER 2 1HB SER 2 -23.157 -2.203 -3.074
9 HB3 SER 2 2HB SER 2 -24.374 -1.176 -3.860
10 HG SER 2 HG SER 2 -24.935 -3.408 -3.944
11 H SER 3 H SER 3 -23.097 1.026 -5.501
12 HA SER 3 HA SER 3 -22.204 3.061 -5.145
13 HB2 SER 3 1HB SER 3 -21.602 2.061 -2.350
14 HB3 SER 3 2HB SER 3 -21.701 3.752 -2.874
15 HG SER 3 HG SER 3 -23.667 3.017 -1.937
16 H GLY 4 H GLY 4 -20.400 1.121 -6.328
17 HA2 GLY 4 1HA GLY 4 -18.362 1.577 -7.403
18 HA3 GLY 4 2HA GLY 4 -17.922 2.722 -6.146
19 H SER 5 H SER 5 -15.861 1.569 -6.544
20 HA SER 5 HA SER 5 -15.416 -0.724 -4.697
21 HB2 SER 5 1HB SER 5 -14.569 -0.636 -7.623
22 HB3 SER 5 2HB SER 5 -14.023 -1.839 -6.442
23 HG SER 5 HG SER 5 -15.812 -2.530 -7.749
24 H SER 6 H SER 6 -13.093 -1.125 -4.329
25 HA SER 6 HA SER 6 -11.069 -0.464 -3.576
26 HB2 SER 6 1HB SER 6 -10.960 1.037 -6.204
27 HB3 SER 6 2HB SER 6 -9.578 0.515 -5.221
28 HG SER 6 HG SER 6 -10.057 -0.967 -6.918
29 H GLY 7 H GLY 7 -13.048 1.092 -2.398
30 HA2 GLY 7 1HA GLY 7 -12.323 3.894 -2.291
31 HA3 GLY 7 2HA GLY 7 -13.452 3.043 -1.240
32 H LYS 8 H LYS 8 -10.625 1.332 -0.994
33 HA LYS 8 HA LYS 8 -9.942 2.079 1.658
34 HB2 LYS 8 1HB LYS 8 -8.529 0.557 -0.548
35 HB3 LYS 8 2HB LYS 8 -7.740 0.838 1.003
36 HG2 LYS 8 1HG LYS 8 -9.516 -0.307 2.207
37 HG3 LYS 8 2HG LYS 8 -10.473 -0.475 0.726
38 HD2 LYS 8 1HD LYS 8 -8.705 -1.903 -0.270
39 HD3 LYS 8 2HD LYS 8 -7.739 -1.742 1.212
40 HE2 LYS 8 1HE LYS 8 -9.553 -2.800 2.525
41 HE3 LYS 8 2HE LYS 8 -10.550 -2.925 1.069
42 HZ1 LYS 8 3HZ LYS 8 -8.869 -4.408 0.117
43 HZ2 LYS 8 1HZ LYS 8 -9.396 -5.010 1.536
44 HZ3 LYS 8 2HZ LYS 8 -7.935 -4.291 1.453
45 HA PRO 9 HA PRO 9 -7.976 5.891 0.675
46 HB2 PRO 9 1HB PRO 9 -7.103 6.740 3.113
47 HB3 PRO 9 2HB PRO 9 -8.829 6.583 2.691
48 HG2 PRO 9 1HG PRO 9 -7.094 4.630 4.200
49 HG3 PRO 9 2HG PRO 9 -8.725 5.191 4.638
50 HD2 PRO 9 1HD PRO 9 -8.245 2.810 3.326
51 HD3 PRO 9 2HD PRO 9 -9.716 3.773 3.078
52 H TYR 10 H TYR 10 -5.883 3.586 2.498
53 HA TYR 10 HA TYR 10 -3.518 5.164 1.860
54 HB2 TYR 10 1HB TYR 10 -3.758 2.472 3.237
55 HB3 TYR 10 2HB TYR 10 -2.321 3.477 3.154
56 HD1 TYR 10 2HD TYR 10 -2.352 5.792 4.243
57 HD2 TYR 10 1HD TYR 10 -5.481 2.884 4.860
58 HE1 TYR 10 2HE TYR 10 -3.131 7.039 6.260
59 HE2 TYR 10 1HE TYR 10 -6.214 4.089 6.886
60 HH TYR 10 HH TYR 10 -5.876 5.903 8.265
61 H LYS 11 H LYS 11 -3.084 5.146 -0.298
62 HA LYS 11 HA LYS 11 -2.897 2.532 -1.742
63 HB2 LYS 11 1HB LYS 11 -3.429 5.287 -2.905
64 HB3 LYS 11 2HB LYS 11 -3.315 3.759 -3.793
65 HG2 LYS 11 1HG LYS 11 -5.204 2.905 -2.265
66 HG3 LYS 11 2HG LYS 11 -5.437 4.585 -1.777
67 HD2 LYS 11 1HD LYS 11 -5.858 5.219 -4.133
68 HD3 LYS 11 2HD LYS 11 -5.592 3.532 -4.638
69 HE2 LYS 11 1HE LYS 11 -7.448 2.815 -3.119
70 HE3 LYS 11 2HE LYS 11 -7.747 4.501 -2.703
71 HZ1 LYS 11 3HZ LYS 11 -8.368 4.929 -4.988
72 HZ2 LYS 11 1HZ LYS 11 -9.231 3.641 -4.441
73 HZ3 LYS 11 2HZ LYS 11 -7.970 3.411 -5.457
74 H CYS 12 H CYS 12 -1.270 2.045 -3.112
75 HA CYS 12 HA CYS 12 1.348 3.077 -2.458
76 HB2 CYS 12 1HB CYS 12 0.955 0.739 -2.925
77 HB3 CYS 12 2HB CYS 12 0.407 1.122 -4.567
78 HA PRO 13 HA PRO 13 1.470 6.200 -5.749
79 HB2 PRO 13 1HB PRO 13 4.103 6.923 -5.588
80 HB3 PRO 13 2HB PRO 13 2.889 7.377 -4.357
81 HG2 PRO 13 1HG PRO 13 4.875 5.100 -4.259
82 HG3 PRO 13 2HG PRO 13 4.482 6.288 -2.979
83 HD2 PRO 13 1HD PRO 13 3.380 3.775 -3.094
84 HD3 PRO 13 2HD PRO 13 2.486 5.172 -2.430
85 H GLN 14 H GLN 14 3.073 3.139 -5.753
86 HA GLN 14 HA GLN 14 4.019 3.483 -8.577
87 HB2 GLN 14 1HB GLN 14 4.863 1.328 -6.637
88 HB3 GLN 14 2HB GLN 14 5.609 1.748 -8.167
89 HG2 GLN 14 1HG GLN 14 5.627 3.438 -5.624
90 HG3 GLN 14 2HG GLN 14 6.943 2.449 -6.218
91 HE21 GLN 14 1HE2 GLN 14 7.593 4.994 -5.692
92 HE22 GLN 14 2HE2 GLN 14 7.783 5.898 -7.190
93 H CYS 15 H CYS 15 1.984 1.500 -6.487
94 HA CYS 15 HA CYS 15 1.290 -0.307 -8.777
95 HB2 CYS 15 1HB CYS 15 0.865 -0.912 -5.849
96 HB3 CYS 15 2HB CYS 15 0.900 -2.035 -7.203
97 H SER 16 H SER 16 -0.877 -1.391 -8.510
98 HA SER 16 HA SER 16 -3.094 0.463 -7.990
99 HB2 SER 16 1HB SER 16 -3.154 -2.507 -8.634
100 HB3 SER 16 2HB SER 16 -4.517 -1.380 -8.715
101 HG SER 16 HG SER 16 -3.435 -0.268 -10.390
102 H TYR 17 H TYR 17 -1.157 -1.094 -5.882
103 HA TYR 17 HA TYR 17 -2.804 -2.554 -4.101
104 HB2 TYR 17 1HB TYR 17 -0.395 -2.741 -4.106
105 HB3 TYR 17 2HB TYR 17 -0.207 -1.040 -3.725
106 HD1 TYR 17 1HD TYR 17 -0.700 -0.153 -1.435
107 HD2 TYR 17 2HD TYR 17 -0.906 -4.370 -2.366
108 HE1 TYR 17 1HE TYR 17 -0.710 -0.691 0.984
109 HE2 TYR 17 2HE TYR 17 -0.851 -4.897 0.067
110 HH TYR 17 HH TYR 17 -0.739 -4.052 2.185
111 H ALA 18 H ALA 18 -4.104 -2.024 -2.451
112 HA ALA 18 HA ALA 18 -4.043 0.661 -1.259
113 HB1 ALA 18 1HB ALA 18 -6.438 0.985 -1.490
114 HB2 ALA 18 2HB ALA 18 -5.713 0.763 -3.095
115 HB3 ALA 18 3HB ALA 18 -6.610 -0.573 -2.335
116 H SER 19 H SER 19 -4.672 0.753 0.855
117 HA SER 19 HA SER 19 -5.603 -1.717 2.260
118 HB2 SER 19 1HB SER 19 -3.157 -1.582 2.428
119 HB3 SER 19 2HB SER 19 -3.281 0.067 3.068
120 HG SER 19 HG SER 19 -3.287 -1.010 4.877
121 H ALA 20 H ALA 20 -6.602 -1.388 4.258
122 HA ALA 20 HA ALA 20 -7.870 1.246 4.748
123 HB1 ALA 20 1HB ALA 20 -8.305 -1.479 6.035
124 HB2 ALA 20 2HB ALA 20 -9.275 -0.018 6.313
125 HB3 ALA 20 3HB ALA 20 -9.272 -0.781 4.713
126 H ILE 21 H ILE 21 -5.017 -0.255 5.617
127 HA ILE 21 HA ILE 21 -4.736 1.270 8.178
128 HB ILE 21 HB ILE 21 -3.596 -1.488 7.581
129 HG12 ILE 21 1HG1 ILE 21 -5.886 -0.757 9.460
130 HG13 ILE 21 2HG1 ILE 21 -6.049 -1.618 7.929
131 HG21 ILE 21 1HG2 ILE 21 -2.866 -1.453 9.944
132 HG22 ILE 21 2HG2 ILE 21 -2.177 -0.098 9.089
133 HG23 ILE 21 3HG2 ILE 21 -3.574 0.161 10.156
134 HD11 ILE 21 3HD1 ILE 21 -4.558 -3.434 8.829
135 HD12 ILE 21 1HD1 ILE 21 -4.689 -2.656 10.427
136 HD13 ILE 21 2HD1 ILE 21 -6.140 -3.266 9.621
137 H LYS 22 H LYS 22 -3.056 2.627 8.195
138 HA LYS 22 HA LYS 22 -1.404 3.106 5.935
139 HB2 LYS 22 1HB LYS 22 -2.131 4.718 7.762
140 HB3 LYS 22 2HB LYS 22 -0.895 4.014 8.803
141 HG2 LYS 22 1HG LYS 22 0.864 4.689 7.185
142 HG3 LYS 22 2HG LYS 22 -0.379 5.322 6.089
143 HD2 LYS 22 1HD LYS 22 -1.065 6.963 7.833
144 HD3 LYS 22 2HD LYS 22 0.195 6.330 8.914
145 HE2 LYS 22 1HE LYS 22 1.930 6.936 7.239
146 HE3 LYS 22 2HE LYS 22 0.678 7.568 6.164
147 HZ1 LYS 22 3HZ LYS 22 1.292 8.634 8.872
148 HZ2 LYS 22 1HZ LYS 22 0.133 9.218 7.878
149 HZ3 LYS 22 2HZ LYS 22 1.705 9.344 7.463
150 H ALA 23 H ALA 23 -0.643 1.314 8.921
151 HA ALA 23 HA ALA 23 2.138 0.988 8.446
152 HB1 ALA 23 1HB ALA 23 0.201 -0.788 9.974
153 HB2 ALA 23 2HB ALA 23 1.973 -0.778 10.134
154 HB3 ALA 23 3HB ALA 23 1.040 0.654 10.613
155 H ASN 24 H ASN 24 -0.618 -0.877 7.186
156 HA ASN 24 HA ASN 24 0.885 -3.083 6.110
157 HB2 ASN 24 1HB ASN 24 -1.697 -2.708 6.524
158 HB3 ASN 24 2HB ASN 24 -1.637 -1.893 4.964
159 HD21 ASN 24 1HD2 ASN 24 -3.261 -3.512 4.419
160 HD22 ASN 24 2HD2 ASN 24 -2.727 -5.126 3.950
161 H LEU 25 H LEU 25 -0.148 0.082 4.748
162 HA LEU 25 HA LEU 25 1.130 -0.216 2.192
163 HB2 LEU 25 1HB LEU 25 -0.671 1.399 2.562
164 HB3 LEU 25 2HB LEU 25 0.285 2.244 3.779
165 HG LEU 25 HG LEU 25 1.964 2.860 2.046
166 HD11 LEU 25 1HD1 LEU 25 1.597 1.017 0.438
167 HD12 LEU 25 2HD1 LEU 25 1.391 2.587 -0.334
168 HD13 LEU 25 3HD1 LEU 25 -0.042 1.628 0.114
169 HD21 LEU 25 3HD2 LEU 25 0.644 4.545 0.923
170 HD22 LEU 25 1HD2 LEU 25 0.114 4.390 2.608
171 HD23 LEU 25 2HD2 LEU 25 -0.849 3.669 1.296
172 H ASN 26 H ASN 26 2.253 1.170 5.316
173 HA ASN 26 HA ASN 26 4.789 2.094 4.491
174 HB2 ASN 26 1HB ASN 26 3.682 2.515 6.662
175 HB3 ASN 26 2HB ASN 26 3.965 0.846 7.141
176 HD21 ASN 26 1HD2 ASN 26 4.885 3.503 8.272
177 HD22 ASN 26 2HD2 ASN 26 6.617 3.264 8.440
178 H VAL 27 H VAL 27 3.968 -1.240 5.677
179 HA VAL 27 HA VAL 27 6.546 -2.364 5.134
180 HB VAL 27 HB VAL 27 3.797 -3.633 5.275
181 HG11 VAL 27 1HG1 VAL 27 6.517 -5.005 5.149
182 HG12 VAL 27 2HG1 VAL 27 4.994 -5.799 5.609
183 HG13 VAL 27 3HG1 VAL 27 5.191 -5.171 3.974
184 HG21 VAL 27 3HG2 VAL 27 6.144 -3.597 7.223
185 HG22 VAL 27 1HG2 VAL 27 4.672 -2.622 7.383
186 HG23 VAL 27 2HG2 VAL 27 4.571 -4.381 7.488
187 H HIS 28 H HIS 28 3.668 -2.057 2.995
188 HA HIS 28 HA HIS 28 4.798 -3.470 0.802
189 HB2 HIS 28 1HB HIS 28 2.416 -2.949 0.993
190 HB3 HIS 28 2HB HIS 28 2.742 -1.226 0.879
191 HD1 HIS 28 1HD HIS 28 2.538 -4.320 -1.358
192 HD2 HIS 28 2HD HIS 28 3.315 -0.194 -1.516
193 HE1 HIS 28 1HE HIS 28 2.573 -3.718 -3.825
194 H LEU 29 H LEU 29 5.026 -0.002 1.662
195 HA LEU 29 HA LEU 29 6.498 0.829 -0.675
196 HB2 LEU 29 1HB LEU 29 6.272 1.955 2.115
197 HB3 LEU 29 2HB LEU 29 7.169 2.778 0.846
198 HG LEU 29 HG LEU 29 4.311 1.977 0.403
199 HD11 LEU 29 1HD1 LEU 29 5.499 4.454 1.747
200 HD12 LEU 29 2HD1 LEU 29 4.458 3.248 2.517
201 HD13 LEU 29 3HD1 LEU 29 3.779 4.322 1.268
202 HD21 LEU 29 3HD2 LEU 29 4.319 3.999 -1.055
203 HD22 LEU 29 1HD2 LEU 29 5.433 2.752 -1.609
204 HD23 LEU 29 2HD2 LEU 29 6.058 4.187 -0.760
205 H ARG 30 H ARG 30 7.604 -0.548 2.409
206 HA ARG 30 HA ARG 30 10.288 0.256 2.233
207 HB2 ARG 30 1HB ARG 30 9.115 -2.353 3.292
208 HB3 ARG 30 2HB ARG 30 10.817 -1.938 3.491
209 HG2 ARG 30 1HG ARG 30 10.334 -0.036 4.860
210 HG3 ARG 30 2HG ARG 30 8.626 -0.091 4.464
211 HD2 ARG 30 1HD ARG 30 8.653 -2.477 5.530
212 HD3 ARG 30 2HD ARG 30 10.208 -1.977 6.222
213 HE ARG 30 HE ARG 30 8.071 -0.023 6.644
214 HH11 ARG 30 1HH1 ARG 30 9.329 -3.002 8.023
215 HH12 ARG 30 2HH1 ARG 30 8.599 -2.676 9.571
216 HH21 ARG 30 2HH2 ARG 30 7.223 0.323 8.557
217 HH22 ARG 30 1HH2 ARG 30 7.424 -0.806 9.885
218 H LYS 31 H LYS 31 8.616 -2.002 0.264
219 HA LYS 31 HA LYS 31 10.929 -3.359 -0.934
220 HB2 LYS 31 1HB LYS 31 8.002 -3.251 -1.785
221 HB3 LYS 31 2HB LYS 31 9.228 -4.341 -2.426
222 HG2 LYS 31 1HG LYS 31 9.481 -5.449 -0.273
223 HG3 LYS 31 2HG LYS 31 8.371 -4.312 0.509
224 HD2 LYS 31 1HD LYS 31 6.525 -5.051 -0.923
225 HD3 LYS 31 2HD LYS 31 7.579 -6.224 -1.727
226 HE2 LYS 31 1HE LYS 31 6.948 -6.180 1.265
227 HE3 LYS 31 2HE LYS 31 6.078 -7.158 0.081
228 HZ1 LYS 31 3HZ LYS 31 7.805 -8.462 1.147
229 HZ2 LYS 31 1HZ LYS 31 8.974 -7.422 0.693
230 HZ3 LYS 31 2HZ LYS 31 8.173 -8.299 -0.433
231 H HIS 32 H HIS 32 8.991 -0.455 -1.609
232 HA HIS 32 HA HIS 32 10.290 -0.018 -4.227
233 HB2 HIS 32 1HB HIS 32 8.393 1.659 -2.545
234 HB3 HIS 32 2HB HIS 32 8.936 2.060 -4.178
235 HD1 HIS 32 1HD HIS 32 8.463 -0.555 -5.758
236 HD2 HIS 32 2HD HIS 32 5.922 0.904 -2.741
237 HE1 HIS 32 1HE HIS 32 6.208 -1.628 -6.181
238 H THR 33 H THR 33 10.470 1.385 -0.906
239 HA THR 33 HA THR 33 12.406 3.401 -1.700
240 HB THR 33 HB THR 33 12.467 3.994 0.672
241 HG1 THR 33 1HG THR 33 11.193 2.865 2.118
242 HG21 THR 33 3HG2 THR 33 10.147 4.673 0.944
243 HG22 THR 33 1HG2 THR 33 9.607 3.484 -0.260
244 HG23 THR 33 2HG2 THR 33 10.619 4.859 -0.753
245 H GLY 34 H GLY 34 12.806 0.112 -0.814
246 HA2 GLY 34 1HA GLY 34 15.447 0.219 0.316
247 HA3 GLY 34 2HA GLY 34 14.669 -1.175 -0.439
248 H GLU 35 H GLU 35 14.419 0.743 -2.966
249 HA GLU 35 HA GLU 35 16.942 -0.096 -4.219
250 HB2 GLU 35 1HB GLU 35 14.568 1.455 -5.325
251 HB3 GLU 35 2HB GLU 35 15.978 0.927 -6.252
252 HG2 GLU 35 1HG GLU 35 15.457 -1.453 -5.605
253 HG3 GLU 35 2HG GLU 35 13.964 -0.884 -4.855
254 H LYS 36 H LYS 36 18.531 1.209 -5.067
255 HA LYS 36 HA LYS 36 18.558 4.115 -4.617
256 HB2 LYS 36 1HB LYS 36 20.637 4.098 -3.359
257 HB3 LYS 36 2HB LYS 36 19.360 3.256 -2.488
258 HG2 LYS 36 1HG LYS 36 20.344 1.057 -3.198
259 HG3 LYS 36 2HG LYS 36 21.610 1.928 -4.072
260 HD2 LYS 36 1HD LYS 36 22.512 1.179 -1.984
261 HD3 LYS 36 2HD LYS 36 22.377 2.943 -1.926
262 HE2 LYS 36 1HE LYS 36 20.276 2.738 -0.610
263 HE3 LYS 36 2HE LYS 36 20.374 0.976 -0.718
264 HZ1 LYS 36 3HZ LYS 36 22.373 2.714 0.632
265 HZ2 LYS 36 1HZ LYS 36 22.462 1.085 0.536
266 HZ3 LYS 36 2HZ LYS 36 21.264 1.788 1.391
Start of MODEL 10
1 H1 GLY 1 1H GLY 1 -20.552 9.743 -11.544
2 H2 GLY 1 2H GLY 1 -20.635 9.020 -13.012
3 H3 GLY 1 3H GLY 1 -19.315 9.903 -12.606
4 HA2 GLY 1 1HA GLY 1 -20.146 7.385 -11.316
5 HA3 GLY 1 2HA GLY 1 -18.820 7.545 -12.483
6 H SER 2 H SER 2 -18.807 6.644 -9.643
7 HA SER 2 HA SER 2 -17.646 8.641 -7.959
8 HB2 SER 2 1HB SER 2 -17.425 5.614 -7.779
9 HB3 SER 2 2HB SER 2 -17.096 6.776 -6.477
10 HG SER 2 HG SER 2 -19.221 5.894 -6.350
11 H SER 3 H SER 3 -15.537 8.997 -7.262
12 HA SER 3 HA SER 3 -13.440 8.550 -9.252
13 HB2 SER 3 1HB SER 3 -12.192 10.173 -7.871
14 HB3 SER 3 2HB SER 3 -13.799 10.761 -8.330
15 HG SER 3 HG SER 3 -13.362 11.116 -6.102
16 H GLY 4 H GLY 4 -14.381 6.724 -6.591
17 HA2 GLY 4 1HA GLY 4 -13.377 4.826 -5.700
18 HA3 GLY 4 2HA GLY 4 -11.876 5.204 -6.543
19 H SER 5 H SER 5 -12.935 7.909 -4.713
20 HA SER 5 HA SER 5 -10.861 7.629 -2.699
21 HB2 SER 5 1HB SER 5 -11.731 9.763 -1.869
22 HB3 SER 5 2HB SER 5 -11.497 9.802 -3.625
23 HG SER 5 HG SER 5 -13.520 10.691 -3.044
24 H SER 6 H SER 6 -14.197 6.668 -2.838
25 HA SER 6 HA SER 6 -14.674 6.459 0.019
26 HB2 SER 6 1HB SER 6 -16.733 5.271 -0.743
27 HB3 SER 6 2HB SER 6 -16.511 6.868 -1.477
28 HG SER 6 HG SER 6 -17.100 5.236 -3.014
29 H GLY 7 H GLY 7 -12.879 4.516 -2.132
30 HA2 GLY 7 1HA GLY 7 -13.284 1.918 -0.823
31 HA3 GLY 7 2HA GLY 7 -12.091 2.334 -2.049
32 H LYS 8 H LYS 8 -10.653 1.037 -0.753
33 HA LYS 8 HA LYS 8 -9.698 1.654 1.859
34 HB2 LYS 8 1HB LYS 8 -8.514 0.276 -0.564
35 HB3 LYS 8 2HB LYS 8 -7.576 0.482 0.916
36 HG2 LYS 8 1HG LYS 8 -9.162 -0.775 2.226
37 HG3 LYS 8 2HG LYS 8 -10.331 -0.811 0.898
38 HD2 LYS 8 1HD LYS 8 -8.781 -2.181 -0.460
39 HD3 LYS 8 2HD LYS 8 -7.591 -2.148 0.856
40 HE2 LYS 8 1HE LYS 8 -9.210 -3.274 2.360
41 HE3 LYS 8 2HE LYS 8 -10.413 -3.288 1.064
42 HZ1 LYS 8 3HZ LYS 8 -8.919 -4.711 -0.229
43 HZ2 LYS 8 1HZ LYS 8 -9.238 -5.410 1.209
44 HZ3 LYS 8 2HZ LYS 8 -7.794 -4.693 0.956
45 HA PRO 9 HA PRO 9 -8.027 5.600 0.696
46 HB2 PRO 9 1HB PRO 9 -7.162 6.551 3.102
47 HB3 PRO 9 2HB PRO 9 -8.885 6.306 2.711
48 HG2 PRO 9 1HG PRO 9 -7.032 4.453 4.213
49 HG3 PRO 9 2HG PRO 9 -8.659 4.971 4.701
50 HD2 PRO 9 1HD PRO 9 -8.199 2.586 3.438
51 HD3 PRO 9 2HD PRO 9 -9.675 3.534 3.152
52 H TYR 10 H TYR 10 -5.829 3.400 2.504
53 HA TYR 10 HA TYR 10 -3.530 5.067 1.848
54 HB2 TYR 10 1HB TYR 10 -3.660 2.351 3.194
55 HB3 TYR 10 2HB TYR 10 -2.247 3.391 3.076
56 HD1 TYR 10 2HD TYR 10 -2.219 5.623 4.261
57 HD2 TYR 10 1HD TYR 10 -5.391 2.759 4.814
58 HE1 TYR 10 2HE TYR 10 -2.937 6.807 6.335
59 HE2 TYR 10 1HE TYR 10 -6.092 3.914 6.883
60 HH TYR 10 HH TYR 10 -5.697 5.668 8.324
61 H LYS 11 H LYS 11 -3.194 5.097 -0.320
62 HA LYS 11 HA LYS 11 -2.965 2.529 -1.827
63 HB2 LYS 11 1HB LYS 11 -3.505 5.295 -2.942
64 HB3 LYS 11 2HB LYS 11 -3.500 3.760 -3.823
65 HG2 LYS 11 1HG LYS 11 -5.384 3.000 -2.259
66 HG3 LYS 11 2HG LYS 11 -5.472 4.668 -1.689
67 HD2 LYS 11 1HD LYS 11 -5.860 5.409 -4.051
68 HD3 LYS 11 2HD LYS 11 -5.925 3.703 -4.543
69 HE2 LYS 11 1HE LYS 11 -7.814 3.325 -2.971
70 HE3 LYS 11 2HE LYS 11 -7.727 5.006 -2.446
71 HZ1 LYS 11 3HZ LYS 11 -9.461 4.753 -4.101
72 HZ2 LYS 11 1HZ LYS 11 -8.424 4.097 -5.188
73 HZ3 LYS 11 2HZ LYS 11 -8.271 5.664 -4.749
74 H CYS 12 H CYS 12 -1.307 2.073 -3.174
75 HA CYS 12 HA CYS 12 1.277 3.143 -2.524
76 HB2 CYS 12 1HB CYS 12 0.924 0.811 -3.029
77 HB3 CYS 12 2HB CYS 12 0.347 1.211 -4.654
78 HA PRO 13 HA PRO 13 1.371 6.337 -5.736
79 HB2 PRO 13 1HB PRO 13 3.980 7.110 -5.551
80 HB3 PRO 13 2HB PRO 13 2.772 7.473 -4.282
81 HG2 PRO 13 1HG PRO 13 4.778 5.197 -4.346
82 HG3 PRO 13 2HG PRO 13 4.440 6.335 -3.004
83 HD2 PRO 13 1HD PRO 13 3.313 3.847 -3.158
84 HD3 PRO 13 2HD PRO 13 2.422 5.229 -2.461
85 H GLN 14 H GLN 14 2.977 3.285 -5.869
86 HA GLN 14 HA GLN 14 3.784 3.727 -8.729
87 HB2 GLN 14 1HB GLN 14 4.985 1.840 -6.672
88 HB3 GLN 14 2HB GLN 14 5.419 1.924 -8.385
89 HG2 GLN 14 1HG GLN 14 6.077 4.335 -8.050
90 HG3 GLN 14 2HG GLN 14 5.774 4.141 -6.323
91 HE21 GLN 14 1HE2 GLN 14 8.152 4.904 -6.353
92 HE22 GLN 14 2HE2 GLN 14 9.356 3.627 -6.463
93 H CYS 15 H CYS 15 1.920 1.647 -6.580
94 HA CYS 15 HA CYS 15 1.219 -0.135 -8.893
95 HB2 CYS 15 1HB CYS 15 0.802 -0.807 -5.982
96 HB3 CYS 15 2HB CYS 15 0.845 -1.896 -7.365
97 H SER 16 H SER 16 -0.939 -1.219 -8.646
98 HA SER 16 HA SER 16 -3.153 0.619 -8.065
99 HB2 SER 16 1HB SER 16 -3.197 -2.323 -8.830
100 HB3 SER 16 2HB SER 16 -4.582 -1.216 -8.815
101 HG SER 16 HG SER 16 -3.678 -1.456 -10.918
102 H TYR 17 H TYR 17 -1.202 -0.975 -6.007
103 HA TYR 17 HA TYR 17 -2.850 -2.484 -4.256
104 HB2 TYR 17 1HB TYR 17 -0.432 -2.678 -4.279
105 HB3 TYR 17 2HB TYR 17 -0.244 -0.992 -3.837
106 HD1 TYR 17 1HD TYR 17 -0.613 -0.206 -1.528
107 HD2 TYR 17 2HD TYR 17 -1.098 -4.361 -2.603
108 HE1 TYR 17 1HE TYR 17 -0.612 -0.829 0.875
109 HE2 TYR 17 2HE TYR 17 -1.070 -4.981 -0.192
110 HH TYR 17 HH TYR 17 -0.906 -4.236 1.955
111 H ALA 18 H ALA 18 -4.116 -1.985 -2.574
112 HA ALA 18 HA ALA 18 -3.999 0.655 -1.295
113 HB1 ALA 18 1HB ALA 18 -5.741 0.844 -3.071
114 HB2 ALA 18 2HB ALA 18 -6.608 -0.525 -2.339
115 HB3 ALA 18 3HB ALA 18 -6.406 0.996 -1.436
116 H SER 19 H SER 19 -4.532 0.629 0.881
117 HA SER 19 HA SER 19 -5.709 -1.831 2.069
118 HB2 SER 19 1HB SER 19 -3.142 -1.847 2.181
119 HB3 SER 19 2HB SER 19 -3.301 -0.520 3.346
120 HG SER 19 HG SER 19 -4.334 -3.177 3.478
121 H ALA 20 H ALA 20 -6.335 -1.551 4.329
122 HA ALA 20 HA ALA 20 -7.716 1.028 4.770
123 HB1 ALA 20 1HB ALA 20 -8.992 -1.082 4.833
124 HB2 ALA 20 2HB ALA 20 -7.968 -1.663 6.168
125 HB3 ALA 20 3HB ALA 20 -9.022 -0.252 6.398
126 H ILE 21 H ILE 21 -4.727 -0.163 5.610
127 HA ILE 21 HA ILE 21 -4.582 1.385 8.165
128 HB ILE 21 HB ILE 21 -3.474 -1.383 7.584
129 HG12 ILE 21 1HG1 ILE 21 -5.549 -0.464 9.624
130 HG13 ILE 21 2HG1 ILE 21 -5.880 -1.385 8.158
131 HG21 ILE 21 1HG2 ILE 21 -2.548 -1.351 9.875
132 HG22 ILE 21 2HG2 ILE 21 -1.834 -0.121 8.879
133 HG23 ILE 21 3HG2 ILE 21 -3.079 0.336 10.071
134 HD11 ILE 21 3HD1 ILE 21 -5.937 -2.931 9.941
135 HD12 ILE 21 1HD1 ILE 21 -4.438 -3.247 9.043
136 HD13 ILE 21 2HD1 ILE 21 -4.393 -2.379 10.599
137 H LYS 22 H LYS 22 -2.886 2.744 8.310
138 HA LYS 22 HA LYS 22 -1.236 3.394 6.099
139 HB2 LYS 22 1HB LYS 22 -1.838 4.938 7.961
140 HB3 LYS 22 2HB LYS 22 -0.861 3.991 9.071
141 HG2 LYS 22 1HG LYS 22 0.317 5.979 8.488
142 HG3 LYS 22 2HG LYS 22 1.182 4.610 7.792
143 HD2 LYS 22 1HD LYS 22 0.124 5.092 5.576
144 HD3 LYS 22 2HD LYS 22 -0.694 6.492 6.283
145 HE2 LYS 22 1HE LYS 22 2.313 6.087 6.173
146 HE3 LYS 22 2HE LYS 22 1.372 7.004 4.984
147 HZ1 LYS 22 3HZ LYS 22 1.605 7.703 7.863
148 HZ2 LYS 22 1HZ LYS 22 0.704 8.523 6.770
149 HZ3 LYS 22 2HZ LYS 22 2.327 8.488 6.632
150 H ALA 23 H ALA 23 -0.450 1.420 8.953
151 HA ALA 23 HA ALA 23 2.286 0.975 8.424
152 HB1 ALA 23 1HB ALA 23 1.128 0.493 10.560
153 HB2 ALA 23 2HB ALA 23 0.273 -0.863 9.780
154 HB3 ALA 23 3HB ALA 23 2.035 -0.912 9.966
155 H ASN 24 H ASN 24 -0.564 -0.760 7.105
156 HA ASN 24 HA ASN 24 0.902 -2.917 5.880
157 HB2 ASN 24 1HB ASN 24 -1.798 -1.640 5.255
158 HB3 ASN 24 2HB ASN 24 -1.184 -3.066 4.449
159 HD21 ASN 24 1HD2 ASN 24 -3.534 -3.329 5.554
160 HD22 ASN 24 2HD2 ASN 24 -3.427 -4.337 7.004
161 H LEU 25 H LEU 25 -0.117 0.310 4.643
162 HA LEU 25 HA LEU 25 1.163 -0.004 2.088
163 HB2 LEU 25 1HB LEU 25 -0.612 1.624 2.432
164 HB3 LEU 25 2HB LEU 25 0.341 2.469 3.660
165 HG LEU 25 HG LEU 25 2.019 3.105 1.961
166 HD11 LEU 25 1HD1 LEU 25 0.161 1.714 -0.018
167 HD12 LEU 25 2HD1 LEU 25 1.823 1.226 0.381
168 HD13 LEU 25 3HD1 LEU 25 1.548 2.752 -0.441
169 HD21 LEU 25 3HD2 LEU 25 0.092 4.580 2.402
170 HD22 LEU 25 1HD2 LEU 25 -0.799 3.780 1.086
171 HD23 LEU 25 2HD2 LEU 25 0.669 4.706 0.731
172 H ASN 26 H ASN 26 2.327 1.330 5.237
173 HA ASN 26 HA ASN 26 4.866 2.178 4.292
174 HB2 ASN 26 1HB ASN 26 3.923 2.751 6.504
175 HB3 ASN 26 2HB ASN 26 4.122 1.077 7.024
176 HD21 ASN 26 1HD2 ASN 26 6.041 0.599 8.073
177 HD22 ASN 26 2HD2 ASN 26 7.468 1.616 7.970
178 H VAL 27 H VAL 27 3.930 -1.113 5.489
179 HA VAL 27 HA VAL 27 6.516 -2.298 4.971
180 HB VAL 27 HB VAL 27 3.730 -3.507 5.147
181 HG11 VAL 27 1HG1 VAL 27 5.094 -5.100 3.892
182 HG12 VAL 27 2HG1 VAL 27 6.432 -4.921 5.053
183 HG13 VAL 27 3HG1 VAL 27 4.901 -5.684 5.542
184 HG21 VAL 27 3HG2 VAL 27 6.082 -3.488 7.097
185 HG22 VAL 27 1HG2 VAL 27 4.634 -2.474 7.244
186 HG23 VAL 27 2HG2 VAL 27 4.489 -4.230 7.377
187 H HIS 28 H HIS 28 3.635 -1.864 2.864
188 HA HIS 28 HA HIS 28 4.725 -3.319 0.670
189 HB2 HIS 28 1HB HIS 28 2.352 -2.737 0.879
190 HB3 HIS 28 2HB HIS 28 2.725 -1.025 0.731
191 HD1 HIS 28 1HD HIS 28 2.479 -4.170 -1.443
192 HD2 HIS 28 2HD HIS 28 3.283 -0.053 -1.677
193 HE1 HIS 28 1HE HIS 28 2.527 -3.618 -3.923
194 H LEU 29 H LEU 29 5.042 0.131 1.569
195 HA LEU 29 HA LEU 29 6.717 0.876 -0.686
196 HB2 LEU 29 1HB LEU 29 6.375 2.099 2.053
197 HB3 LEU 29 2HB LEU 29 7.281 2.848 0.739
198 HG LEU 29 HG LEU 29 4.376 2.120 0.370
199 HD11 LEU 29 1HD1 LEU 29 4.626 3.480 2.405
200 HD12 LEU 29 2HD1 LEU 29 3.959 4.509 1.111
201 HD13 LEU 29 3HD1 LEU 29 5.693 4.605 1.555
202 HD21 LEU 29 3HD2 LEU 29 6.189 4.178 -0.954
203 HD22 LEU 29 1HD2 LEU 29 4.441 4.023 -1.217
204 HD23 LEU 29 2HD2 LEU 29 5.511 2.712 -1.703
205 H ARG 30 H ARG 30 7.435 -0.474 2.549
206 HA ARG 30 HA ARG 30 10.174 0.051 2.495
207 HB2 ARG 30 1HB ARG 30 8.528 -2.124 3.815
208 HB3 ARG 30 2HB ARG 30 10.285 -2.180 3.918
209 HG2 ARG 30 1HG ARG 30 10.415 -0.058 4.988
210 HG3 ARG 30 2HG ARG 30 8.730 0.306 4.717
211 HD2 ARG 30 1HD ARG 30 9.182 -0.350 7.066
212 HD3 ARG 30 2HD ARG 30 8.014 -1.397 6.278
213 HE ARG 30 HE ARG 30 9.444 -3.199 6.496
214 HH11 ARG 30 2HH2 ARG 30 11.430 -0.341 7.199
215 HH12 ARG 30 1HH2 ARG 30 12.759 -1.395 7.700
216 HH21 ARG 30 2HH1 ARG 30 11.277 -4.331 7.190
217 HH22 ARG 30 1HH1 ARG 30 12.677 -3.377 7.698
218 H LYS 31 H LYS 31 8.385 -2.187 0.573
219 HA LYS 31 HA LYS 31 10.710 -3.658 -0.490
220 HB2 LYS 31 1HB LYS 31 7.844 -3.504 -1.508
221 HB3 LYS 31 2HB LYS 31 9.087 -4.624 -2.053
222 HG2 LYS 31 1HG LYS 31 9.194 -5.658 0.178
223 HG3 LYS 31 2HG LYS 31 7.973 -4.527 0.789
224 HD2 LYS 31 1HD LYS 31 6.350 -5.368 -0.895
225 HD3 LYS 31 2HD LYS 31 7.528 -6.567 -1.437
226 HE2 LYS 31 1HE LYS 31 6.434 -6.336 1.410
227 HE3 LYS 31 2HE LYS 31 5.781 -7.418 0.176
228 HZ1 LYS 31 3HZ LYS 31 7.338 -8.595 1.594
229 HZ2 LYS 31 1HZ LYS 31 8.547 -7.555 1.255
230 HZ3 LYS 31 2HZ LYS 31 7.949 -8.531 0.084
231 H HIS 32 H HIS 32 8.886 -0.721 -1.365
232 HA HIS 32 HA HIS 32 10.143 -0.519 -4.007
233 HB2 HIS 32 1HB HIS 32 8.393 1.342 -2.358
234 HB3 HIS 32 2HB HIS 32 9.025 1.757 -3.948
235 HD1 HIS 32 1HD HIS 32 8.427 -0.545 -5.777
236 HD2 HIS 32 2HD HIS 32 5.886 0.733 -2.685
237 HE1 HIS 32 1HE HIS 32 6.123 -1.369 -6.407
238 H THR 33 H THR 33 10.617 1.118 -0.860
239 HA THR 33 HA THR 33 13.182 2.291 -1.868
240 HB THR 33 HB THR 33 11.329 3.828 -2.387
241 HG1 THR 33 1HG THR 33 13.311 4.731 -1.982
242 HG21 THR 33 3HG2 THR 33 10.175 5.082 -0.643
243 HG22 THR 33 1HG2 THR 33 10.928 4.094 0.622
244 HG23 THR 33 2HG2 THR 33 9.777 3.364 -0.523
245 H GLY 34 H GLY 34 11.336 1.229 0.937
246 HA2 GLY 34 1HA GLY 34 13.036 2.390 2.945
247 HA3 GLY 34 2HA GLY 34 11.908 1.075 3.195
248 H GLU 35 H GLU 35 14.189 1.122 4.610
249 HA GLU 35 HA GLU 35 15.532 -1.364 3.823
250 HB2 GLU 35 1HB GLU 35 16.805 0.768 2.882
251 HB3 GLU 35 2HB GLU 35 17.304 0.981 4.561
252 HG2 GLU 35 1HG GLU 35 18.163 -1.437 4.463
253 HG3 GLU 35 2HG GLU 35 17.806 -1.418 2.742
254 H LYS 36 H LYS 36 16.577 -2.392 5.607
255 HA LYS 36 HA LYS 36 16.640 -3.172 7.769
256 HB2 LYS 36 1HB LYS 36 17.646 -0.324 8.061
257 HB3 LYS 36 2HB LYS 36 17.799 -1.544 9.331
258 HG2 LYS 36 1HG LYS 36 19.204 -2.946 8.007
259 HG3 LYS 36 2HG LYS 36 18.904 -2.000 6.541
260 HD2 LYS 36 1HD LYS 36 20.054 -0.056 7.492
261 HD3 LYS 36 2HD LYS 36 20.271 -0.899 9.029
262 HE2 LYS 36 1HE LYS 36 22.339 -0.877 7.733
263 HE3 LYS 36 2HE LYS 36 21.772 -2.526 8.003
264 HZ1 LYS 36 3HZ LYS 36 22.533 -2.029 5.680
265 HZ2 LYS 36 1HZ LYS 36 21.241 -1.037 5.475
266 HZ3 LYS 36 2HZ LYS 36 21.019 -2.629 5.746
Start of MODEL 11
1 H1 GLY 1 1H GLY 1 -27.646 4.874 1.870
2 H2 GLY 1 2H GLY 1 -28.788 3.710 2.029
3 H3 GLY 1 3H GLY 1 -28.003 3.900 0.604
4 HA2 GLY 1 1HA GLY 1 -26.761 3.030 3.132
5 HA3 GLY 1 2HA GLY 1 -27.163 1.965 1.771
6 H SER 2 H SER 2 -24.560 2.390 2.956
7 HA SER 2 HA SER 2 -23.035 3.656 0.704
8 HB2 SER 2 1HB SER 2 -22.220 3.492 3.622
9 HB3 SER 2 2HB SER 2 -21.310 4.248 2.304
10 HG SER 2 HG SER 2 -23.833 5.050 3.359
11 H SER 3 H SER 3 -23.873 0.693 1.348
12 HA SER 3 HA SER 3 -21.571 -0.805 1.985
13 HB2 SER 3 1HB SER 3 -23.950 -1.642 0.285
14 HB3 SER 3 2HB SER 3 -22.798 -2.724 1.095
15 HG SER 3 HG SER 3 -24.711 -2.412 2.333
16 H GLY 4 H GLY 4 -19.693 -0.797 0.938
17 HA2 GLY 4 1HA GLY 4 -18.123 -1.110 -0.723
18 HA3 GLY 4 2HA GLY 4 -19.405 -1.568 -1.844
19 H SER 5 H SER 5 -20.058 1.518 -0.493
20 HA SER 5 HA SER 5 -19.674 2.787 -3.070
21 HB2 SER 5 1HB SER 5 -20.561 3.985 -0.425
22 HB3 SER 5 2HB SER 5 -20.752 4.718 -2.026
23 HG SER 5 HG SER 5 -22.118 2.994 -2.612
24 H SER 6 H SER 6 -17.535 2.479 -0.441
25 HA SER 6 HA SER 6 -15.842 4.750 -1.413
26 HB2 SER 6 1HB SER 6 -16.241 3.887 1.475
27 HB3 SER 6 2HB SER 6 -15.079 5.098 0.901
28 HG SER 6 HG SER 6 -17.034 6.048 1.660
29 H GLY 7 H GLY 7 -13.732 4.330 -1.720
30 HA2 GLY 7 1HA GLY 7 -12.791 1.546 -1.661
31 HA3 GLY 7 2HA GLY 7 -11.968 2.934 -2.360
32 H LYS 8 H LYS 8 -10.459 1.196 -1.094
33 HA LYS 8 HA LYS 8 -9.884 1.789 1.691
34 HB2 LYS 8 1HB LYS 8 -8.437 0.333 -0.537
35 HB3 LYS 8 2HB LYS 8 -7.687 0.582 1.041
36 HG2 LYS 8 1HG LYS 8 -9.441 -0.634 2.176
37 HG3 LYS 8 2HG LYS 8 -10.417 -0.725 0.701
38 HD2 LYS 8 1HD LYS 8 -8.681 -2.120 -0.384
39 HD3 LYS 8 2HD LYS 8 -7.697 -2.044 1.091
40 HE2 LYS 8 1HE LYS 8 -9.515 -3.135 2.374
41 HE3 LYS 8 2HE LYS 8 -10.523 -3.181 0.923
42 HZ1 LYS 8 3HZ LYS 8 -7.923 -4.596 1.224
43 HZ2 LYS 8 1HZ LYS 8 -8.867 -4.639 -0.110
44 HZ3 LYS 8 2HZ LYS 8 -9.393 -5.301 1.284
45 HA PRO 9 HA PRO 9 -8.027 5.663 0.723
46 HB2 PRO 9 1HB PRO 9 -7.169 6.511 3.166
47 HB3 PRO 9 2HB PRO 9 -8.891 6.304 2.751
48 HG2 PRO 9 1HG PRO 9 -7.084 4.381 4.220
49 HG3 PRO 9 2HG PRO 9 -8.721 4.895 4.686
50 HD2 PRO 9 1HD PRO 9 -8.217 2.547 3.341
51 HD3 PRO 9 2HD PRO 9 -9.702 3.493 3.102
52 H TYR 10 H TYR 10 -5.838 3.410 2.517
53 HA TYR 10 HA TYR 10 -3.539 5.081 1.869
54 HB2 TYR 10 1HB TYR 10 -3.670 2.370 3.226
55 HB3 TYR 10 2HB TYR 10 -2.255 3.405 3.102
56 HD1 TYR 10 2HD TYR 10 -2.197 5.629 4.286
57 HD2 TYR 10 1HD TYR 10 -5.420 2.814 4.830
58 HE1 TYR 10 2HE TYR 10 -2.930 6.846 6.334
59 HE2 TYR 10 1HE TYR 10 -6.113 3.988 6.889
60 HH TYR 10 HH TYR 10 -5.699 5.749 8.325
61 H LYS 11 H LYS 11 -3.158 5.104 -0.297
62 HA LYS 11 HA LYS 11 -2.921 2.524 -1.786
63 HB2 LYS 11 1HB LYS 11 -3.411 5.300 -2.909
64 HB3 LYS 11 2HB LYS 11 -3.356 3.774 -3.804
65 HG2 LYS 11 1HG LYS 11 -5.288 2.981 -2.312
66 HG3 LYS 11 2HG LYS 11 -5.432 4.653 -1.760
67 HD2 LYS 11 1HD LYS 11 -5.748 5.385 -4.118
68 HD3 LYS 11 2HD LYS 11 -5.665 3.690 -4.643
69 HE2 LYS 11 1HE LYS 11 -7.624 3.153 -3.211
70 HE3 LYS 11 2HE LYS 11 -7.703 4.833 -2.678
71 HZ1 LYS 11 3HZ LYS 11 -8.138 5.481 -4.993
72 HZ2 LYS 11 1HZ LYS 11 -9.264 4.415 -4.491
73 HZ3 LYS 11 2HZ LYS 11 -8.069 3.926 -5.488
74 H CYS 12 H CYS 12 -1.266 2.051 -3.118
75 HA CYS 12 HA CYS 12 1.335 3.123 -2.502
76 HB2 CYS 12 1HB CYS 12 0.970 0.789 -2.994
77 HB3 CYS 12 2HB CYS 12 0.382 1.186 -4.618
78 HA PRO 13 HA PRO 13 1.313 6.328 -5.710
79 HB2 PRO 13 1HB PRO 13 3.930 7.106 -5.592
80 HB3 PRO 13 2HB PRO 13 2.750 7.480 -4.300
81 HG2 PRO 13 1HG PRO 13 4.762 5.210 -4.393
82 HG3 PRO 13 2HG PRO 13 4.444 6.355 -3.050
83 HD2 PRO 13 1HD PRO 13 3.332 3.861 -3.167
84 HD3 PRO 13 2HD PRO 13 2.445 5.242 -2.460
85 H GLN 14 H GLN 14 2.959 3.303 -5.853
86 HA GLN 14 HA GLN 14 3.781 3.716 -8.708
87 HB2 GLN 14 1HB GLN 14 4.993 2.020 -6.497
88 HB3 GLN 14 2HB GLN 14 5.463 1.919 -8.198
89 HG2 GLN 14 1HG GLN 14 6.191 4.246 -8.203
90 HG3 GLN 14 2HG GLN 14 5.607 4.490 -6.558
91 HE21 GLN 14 1HE2 GLN 14 7.956 2.408 -8.393
92 HE22 GLN 14 2HE2 GLN 14 9.097 2.357 -7.056
93 H CYS 15 H CYS 15 1.919 1.642 -6.558
94 HA CYS 15 HA CYS 15 1.269 -0.182 -8.854
95 HB2 CYS 15 1HB CYS 15 0.847 -0.817 -5.931
96 HB3 CYS 15 2HB CYS 15 0.878 -1.926 -7.299
97 H SER 16 H SER 16 -0.894 -1.270 -8.602
98 HA SER 16 HA SER 16 -3.110 0.578 -8.055
99 HB2 SER 16 1HB SER 16 -3.154 -2.373 -8.788
100 HB3 SER 16 2HB SER 16 -4.536 -1.262 -8.794
101 HG SER 16 HG SER 16 -3.621 -1.527 -10.889
102 H TYR 17 H TYR 17 -1.174 -0.987 -5.966
103 HA TYR 17 HA TYR 17 -2.839 -2.493 -4.226
104 HB2 TYR 17 1HB TYR 17 -0.426 -2.710 -4.238
105 HB3 TYR 17 2HB TYR 17 -0.220 -1.023 -3.804
106 HD1 TYR 17 1HD TYR 17 -0.594 -0.217 -1.503
107 HD2 TYR 17 2HD TYR 17 -1.098 -4.377 -2.552
108 HE1 TYR 17 1HE TYR 17 -0.604 -0.825 0.904
109 HE2 TYR 17 2HE TYR 17 -1.079 -4.982 -0.137
110 HH TYR 17 HH TYR 17 -0.916 -4.224 2.004
111 H ALA 18 H ALA 18 -4.115 -1.990 -2.553
112 HA ALA 18 HA ALA 18 -3.988 0.648 -1.270
113 HB1 ALA 18 1HB ALA 18 -6.602 -0.507 -2.324
114 HB2 ALA 18 2HB ALA 18 -6.381 1.024 -1.440
115 HB3 ALA 18 3HB ALA 18 -5.711 0.837 -3.071
116 H SER 19 H SER 19 -4.516 0.628 0.898
117 HA SER 19 HA SER 19 -5.707 -1.823 2.098
118 HB2 SER 19 1HB SER 19 -3.146 -1.845 2.217
119 HB3 SER 19 2HB SER 19 -3.299 -0.499 3.362
120 HG SER 19 HG SER 19 -4.350 -3.147 3.536
121 H ALA 20 H ALA 20 -6.382 -1.524 4.336
122 HA ALA 20 HA ALA 20 -7.698 1.093 4.764
123 HB1 ALA 20 1HB ALA 20 -8.051 -1.593 6.146
124 HB2 ALA 20 2HB ALA 20 -9.061 -0.149 6.373
125 HB3 ALA 20 3HB ALA 20 -9.040 -0.970 4.803
126 H ILE 21 H ILE 21 -4.748 -0.166 5.618
127 HA ILE 21 HA ILE 21 -4.585 1.379 8.174
128 HB ILE 21 HB ILE 21 -3.483 -1.391 7.591
129 HG12 ILE 21 1HG1 ILE 21 -5.571 -0.472 9.620
130 HG13 ILE 21 2HG1 ILE 21 -5.893 -1.395 8.151
131 HG21 ILE 21 1HG2 ILE 21 -2.568 -1.361 9.888
132 HG22 ILE 21 2HG2 ILE 21 -1.851 -0.123 8.902
133 HG23 ILE 21 3HG2 ILE 21 -3.107 0.324 10.085
134 HD11 ILE 21 3HD1 ILE 21 -4.420 -2.388 10.603
135 HD12 ILE 21 1HD1 ILE 21 -5.959 -2.940 9.936
136 HD13 ILE 21 2HD1 ILE 21 -4.455 -3.256 9.047
137 H LYS 22 H LYS 22 -2.882 2.716 8.326
138 HA LYS 22 HA LYS 22 -1.240 3.375 6.100
139 HB2 LYS 22 1HB LYS 22 -1.927 4.838 8.050
140 HB3 LYS 22 2HB LYS 22 -0.720 4.013 9.037
141 HG2 LYS 22 1HG LYS 22 1.052 4.745 7.407
142 HG3 LYS 22 2HG LYS 22 -0.179 5.624 6.493
143 HD2 LYS 22 1HD LYS 22 0.581 6.135 9.407
144 HD3 LYS 22 2HD LYS 22 1.174 7.057 8.019
145 HE2 LYS 22 1HE LYS 22 -1.140 7.753 7.468
146 HE3 LYS 22 2HE LYS 22 -1.755 6.841 8.855
147 HZ1 LYS 22 3HZ LYS 22 0.125 9.137 9.025
148 HZ2 LYS 22 1HZ LYS 22 -0.437 8.294 10.306
149 HZ3 LYS 22 2HZ LYS 22 -1.460 9.186 9.403
150 H ALA 23 H ALA 23 -0.448 1.418 8.969
151 HA ALA 23 HA ALA 23 2.295 0.989 8.435
152 HB1 ALA 23 1HB ALA 23 1.159 0.531 10.586
153 HB2 ALA 23 2HB ALA 23 0.295 -0.835 9.833
154 HB3 ALA 23 3HB ALA 23 2.060 -0.884 10.003
155 H ASN 24 H ASN 24 -0.549 -0.781 7.152
156 HA ASN 24 HA ASN 24 0.922 -2.931 5.923
157 HB2 ASN 24 1HB ASN 24 -1.778 -1.657 5.289
158 HB3 ASN 24 2HB ASN 24 -1.160 -3.084 4.488
159 HD21 ASN 24 1HD2 ASN 24 -3.521 -3.328 5.593
160 HD22 ASN 24 2HD2 ASN 24 -3.419 -4.345 7.036
161 H LEU 25 H LEU 25 -0.113 0.291 4.689
162 HA LEU 25 HA LEU 25 1.146 -0.016 2.128
163 HB2 LEU 25 1HB LEU 25 -0.629 1.614 2.500
164 HB3 LEU 25 2HB LEU 25 0.346 2.459 3.709
165 HG LEU 25 HG LEU 25 2.007 3.072 1.975
166 HD11 LEU 25 1HD1 LEU 25 1.466 2.736 -0.412
167 HD12 LEU 25 2HD1 LEU 25 0.072 1.722 0.044
168 HD13 LEU 25 3HD1 LEU 25 1.734 1.200 0.395
169 HD21 LEU 25 3HD2 LEU 25 0.113 4.576 2.465
170 HD22 LEU 25 1HD2 LEU 25 -0.813 3.799 1.159
171 HD23 LEU 25 2HD2 LEU 25 0.667 4.699 0.785
172 H ASN 26 H ASN 26 2.353 1.316 5.255
173 HA ASN 26 HA ASN 26 4.874 2.189 4.295
174 HB2 ASN 26 1HB ASN 26 3.876 2.662 6.547
175 HB3 ASN 26 2HB ASN 26 4.228 0.999 7.016
176 HD21 ASN 26 1HD2 ASN 26 5.434 2.139 8.785
177 HD22 ASN 26 2HD2 ASN 26 7.079 2.644 8.428
178 H VAL 27 H VAL 27 3.996 -1.103 5.544
179 HA VAL 27 HA VAL 27 6.564 -2.284 4.969
180 HB VAL 27 HB VAL 27 3.776 -3.494 5.199
181 HG11 VAL 27 1HG1 VAL 27 6.468 -4.927 5.096
182 HG12 VAL 27 2HG1 VAL 27 4.936 -5.672 5.605
183 HG13 VAL 27 3HG1 VAL 27 5.121 -5.108 3.947
184 HG21 VAL 27 3HG2 VAL 27 4.701 -2.441 7.272
185 HG22 VAL 27 1HG2 VAL 27 4.553 -4.194 7.427
186 HG23 VAL 27 2HG2 VAL 27 6.145 -3.459 7.124
187 H HIS 28 H HIS 28 3.640 -1.892 2.900
188 HA HIS 28 HA HIS 28 4.713 -3.369 0.707
189 HB2 HIS 28 1HB HIS 28 2.343 -2.802 0.894
190 HB3 HIS 28 2HB HIS 28 2.702 -1.084 0.773
191 HD1 HIS 28 1HD HIS 28 2.430 -4.183 -1.450
192 HD2 HIS 28 2HD HIS 28 3.360 -0.091 -1.625
193 HE1 HIS 28 1HE HIS 28 2.542 -3.607 -3.922
194 H LEU 29 H LEU 29 4.993 0.105 1.546
195 HA LEU 29 HA LEU 29 6.605 0.860 -0.738
196 HB2 LEU 29 1HB LEU 29 6.299 2.044 2.020
197 HB3 LEU 29 2HB LEU 29 7.243 2.814 0.752
198 HG LEU 29 HG LEU 29 4.356 2.103 0.279
199 HD11 LEU 29 1HD1 LEU 29 5.624 4.557 1.589
200 HD12 LEU 29 2HD1 LEU 29 4.534 3.405 2.371
201 HD13 LEU 29 3HD1 LEU 29 3.904 4.475 1.093
202 HD21 LEU 29 3HD2 LEU 29 6.201 4.215 -0.913
203 HD22 LEU 29 1HD2 LEU 29 4.462 4.086 -1.228
204 HD23 LEU 29 2HD2 LEU 29 5.533 2.785 -1.736
205 H ARG 30 H ARG 30 7.452 -0.480 2.465
206 HA ARG 30 HA ARG 30 10.190 0.099 2.334
207 HB2 ARG 30 1HB ARG 30 8.653 -2.155 3.675
208 HB3 ARG 30 2HB ARG 30 10.411 -2.126 3.735
209 HG2 ARG 30 1HG ARG 30 10.441 0.023 4.827
210 HG3 ARG 30 2HG ARG 30 8.711 0.225 4.649
211 HD2 ARG 30 1HD ARG 30 9.236 -0.414 6.925
212 HD3 ARG 30 2HD ARG 30 8.319 -1.709 6.142
213 HE ARG 30 HE ARG 30 11.129 -2.243 5.840
214 HH11 ARG 30 2HH1 ARG 30 8.759 -2.292 8.443
215 HH12 ARG 30 1HH1 ARG 30 9.646 -3.524 9.300
216 HH21 ARG 30 2HH2 ARG 30 12.135 -3.690 6.899
217 HH22 ARG 30 1HH2 ARG 30 11.569 -4.326 8.449
218 H LYS 31 H LYS 31 8.392 -2.126 0.420
219 HA LYS 31 HA LYS 31 10.695 -3.641 -0.628
220 HB2 LYS 31 1HB LYS 31 7.834 -3.464 -1.658
221 HB3 LYS 31 2HB LYS 31 9.064 -4.614 -2.171
222 HG2 LYS 31 1HG LYS 31 9.142 -5.601 0.086
223 HG3 LYS 31 2HG LYS 31 7.928 -4.443 0.659
224 HD2 LYS 31 1HD LYS 31 6.308 -5.302 -1.010
225 HD3 LYS 31 2HD LYS 31 7.477 -6.525 -1.525
226 HE2 LYS 31 1HE LYS 31 6.375 -6.226 1.313
227 HE3 LYS 31 2HE LYS 31 5.714 -7.325 0.099
228 HZ1 LYS 31 3HZ LYS 31 7.872 -8.461 0.037
229 HZ2 LYS 31 1HZ LYS 31 7.254 -8.489 1.545
230 HZ3 LYS 31 2HZ LYS 31 8.475 -7.469 1.190
231 H HIS 32 H HIS 32 8.953 -0.657 -1.464
232 HA HIS 32 HA HIS 32 10.288 -0.444 -4.088
233 HB2 HIS 32 1HB HIS 32 8.493 1.426 -2.500
234 HB3 HIS 32 2HB HIS 32 9.125 1.764 -4.110
235 HD1 HIS 32 1HD HIS 32 8.500 -0.779 -5.726
236 HD2 HIS 32 2HD HIS 32 5.978 0.899 -2.809
237 HE1 HIS 32 1HE HIS 32 6.169 -1.592 -6.284
238 H THR 33 H THR 33 10.626 1.061 -0.846
239 HA THR 33 HA THR 33 13.259 2.205 -1.551
240 HB THR 33 HB THR 33 11.558 3.788 -2.442
241 HG1 THR 33 1HG THR 33 12.531 5.572 -1.542
242 HG21 THR 33 3HG2 THR 33 10.811 4.299 0.471
243 HG22 THR 33 1HG2 THR 33 9.771 3.497 -0.727
244 HG23 THR 33 2HG2 THR 33 10.241 5.187 -0.956
245 H GLY 34 H GLY 34 14.199 3.452 0.291
246 HA2 GLY 34 1HA GLY 34 14.763 3.806 2.482
247 HA3 GLY 34 2HA GLY 34 13.148 3.268 2.939
248 H GLU 35 H GLU 35 14.649 0.743 1.275
249 HA GLU 35 HA GLU 35 16.097 -0.406 3.581
250 HB2 GLU 35 1HB GLU 35 13.606 -0.959 3.762
251 HB3 GLU 35 2HB GLU 35 13.789 -1.891 2.271
252 HG2 GLU 35 1HG GLU 35 15.458 -3.342 3.374
253 HG3 GLU 35 2HG GLU 35 15.349 -2.369 4.845
254 H LYS 36 H LYS 36 17.622 -1.947 2.994
255 HA LYS 36 HA LYS 36 17.856 -2.908 0.214
256 HB2 LYS 36 1HB LYS 36 18.984 -0.666 0.302
257 HB3 LYS 36 2HB LYS 36 20.075 -1.292 1.546
258 HG2 LYS 36 1HG LYS 36 20.912 -2.998 -0.049
259 HG3 LYS 36 2HG LYS 36 19.772 -2.417 -1.280
260 HD2 LYS 36 1HD LYS 36 20.862 -0.174 -1.200
261 HD3 LYS 36 2HD LYS 36 22.043 -0.786 -0.038
262 HE2 LYS 36 1HE LYS 36 21.613 -1.876 -2.862
263 HE3 LYS 36 2HE LYS 36 22.843 -0.689 -2.424
264 HZ1 LYS 36 3HZ LYS 36 23.782 -2.908 -2.453
265 HZ2 LYS 36 1HZ LYS 36 22.707 -3.459 -1.359
266 HZ3 LYS 36 2HZ LYS 36 23.824 -2.344 -0.924
Start of MODEL 12
1 H1 GLY 1 1H GLY 1 -11.391 -2.900 -6.796
2 H2 GLY 1 2H GLY 1 -10.253 -4.067 -6.644
3 H3 GLY 1 3H GLY 1 -10.635 -3.485 -8.127
4 HA2 GLY 1 1HA GLY 1 -8.517 -2.589 -7.406
5 HA3 GLY 1 2HA GLY 1 -9.740 -1.318 -7.591
6 H SER 2 H SER 2 -9.714 0.108 -5.947
7 HA SER 2 HA SER 2 -8.602 -0.539 -3.305
8 HB2 SER 2 1HB SER 2 -9.838 2.030 -4.359
9 HB3 SER 2 2HB SER 2 -8.994 1.834 -2.812
10 HG SER 2 HG SER 2 -7.870 1.422 -5.405
11 H SER 3 H SER 3 -10.702 -2.204 -3.686
12 HA SER 3 HA SER 3 -13.281 -1.205 -3.078
13 HB2 SER 3 1HB SER 3 -12.301 -4.065 -2.815
14 HB3 SER 3 2HB SER 3 -13.966 -3.512 -3.076
15 HG SER 3 HG SER 3 -13.080 -4.147 -5.042
16 H GLY 4 H GLY 4 -14.528 -1.129 -1.291
17 HA2 GLY 4 1HA GLY 4 -14.247 -2.488 1.156
18 HA3 GLY 4 2HA GLY 4 -13.409 -0.941 1.334
19 H SER 5 H SER 5 -15.428 -1.146 3.014
20 HA SER 5 HA SER 5 -18.080 -0.675 2.154
21 HB2 SER 5 1HB SER 5 -18.448 0.128 4.478
22 HB3 SER 5 2HB SER 5 -17.577 -1.411 4.391
23 HG SER 5 HG SER 5 -16.610 0.061 5.879
24 H SER 6 H SER 6 -15.486 1.644 2.668
25 HA SER 6 HA SER 6 -17.018 3.651 1.109
26 HB2 SER 6 1HB SER 6 -17.046 4.120 3.653
27 HB3 SER 6 2HB SER 6 -15.331 4.525 3.470
28 HG SER 6 HG SER 6 -16.733 6.354 3.244
29 H GLY 7 H GLY 7 -15.069 1.693 0.359
30 HA2 GLY 7 1HA GLY 7 -13.166 1.428 -0.901
31 HA3 GLY 7 2HA GLY 7 -12.974 3.175 -0.990
32 H LYS 8 H LYS 8 -10.772 1.649 -0.819
33 HA LYS 8 HA LYS 8 -9.717 1.744 1.962
34 HB2 LYS 8 1HB LYS 8 -8.621 0.673 -0.649
35 HB3 LYS 8 2HB LYS 8 -7.622 0.845 0.792
36 HG2 LYS 8 1HG LYS 8 -8.958 -0.664 2.071
37 HG3 LYS 8 2HG LYS 8 -10.252 -0.676 0.867
38 HD2 LYS 8 1HD LYS 8 -8.809 -1.816 -0.753
39 HD3 LYS 8 2HD LYS 8 -7.437 -1.718 0.365
40 HE2 LYS 8 1HE LYS 8 -8.655 -3.121 2.003
41 HE3 LYS 8 2HE LYS 8 -10.038 -3.209 0.907
42 HZ1 LYS 8 3HZ LYS 8 -8.602 -5.169 0.713
43 HZ2 LYS 8 1HZ LYS 8 -7.322 -4.251 0.279
44 HZ3 LYS 8 2HZ LYS 8 -8.628 -4.357 -0.701
45 HA PRO 9 HA PRO 9 -8.302 5.849 0.906
46 HB2 PRO 9 1HB PRO 9 -7.289 6.673 3.301
47 HB3 PRO 9 2HB PRO 9 -9.030 6.445 3.003
48 HG2 PRO 9 1HG PRO 9 -7.103 4.564 4.352
49 HG3 PRO 9 2HG PRO 9 -8.744 5.004 4.882
50 HD2 PRO 9 1HD PRO 9 -8.146 2.691 3.474
51 HD3 PRO 9 2HD PRO 9 -9.716 3.521 3.375
52 H TYR 10 H TYR 10 -5.987 3.651 2.579
53 HA TYR 10 HA TYR 10 -3.724 5.291 1.776
54 HB2 TYR 10 1HB TYR 10 -3.756 2.545 3.090
55 HB3 TYR 10 2HB TYR 10 -2.392 3.644 3.002
56 HD1 TYR 10 2HD TYR 10 -2.540 5.907 4.218
57 HD2 TYR 10 1HD TYR 10 -5.364 2.704 4.834
58 HE1 TYR 10 2HE TYR 10 -3.271 6.956 6.355
59 HE2 TYR 10 1HE TYR 10 -6.054 3.723 6.991
60 HH TYR 10 HH TYR 10 -4.649 6.802 8.185
61 H LYS 11 H LYS 11 -2.726 5.113 -0.211
62 HA LYS 11 HA LYS 11 -2.857 2.529 -1.710
63 HB2 LYS 11 1HB LYS 11 -3.290 5.274 -2.926
64 HB3 LYS 11 2HB LYS 11 -3.375 3.704 -3.729
65 HG2 LYS 11 1HG LYS 11 -5.305 3.124 -2.152
66 HG3 LYS 11 2HG LYS 11 -5.263 4.808 -1.623
67 HD2 LYS 11 1HD LYS 11 -5.588 5.489 -4.043
68 HD3 LYS 11 2HD LYS 11 -5.820 3.779 -4.426
69 HE2 LYS 11 1HE LYS 11 -8.003 4.701 -4.174
70 HE3 LYS 11 2HE LYS 11 -7.693 3.710 -2.746
71 HZ1 LYS 11 3HZ LYS 11 -7.491 6.676 -2.868
72 HZ2 LYS 11 1HZ LYS 11 -7.127 5.777 -1.546
73 HZ3 LYS 11 2HZ LYS 11 -8.658 5.817 -2.108
74 H CYS 12 H CYS 12 -1.224 2.062 -3.136
75 HA CYS 12 HA CYS 12 1.380 3.114 -2.509
76 HB2 CYS 12 1HB CYS 12 1.003 0.783 -2.985
77 HB3 CYS 12 2HB CYS 12 0.416 1.173 -4.614
78 HA PRO 13 HA PRO 13 1.404 6.284 -5.754
79 HB2 PRO 13 1HB PRO 13 4.014 7.068 -5.615
80 HB3 PRO 13 2HB PRO 13 2.822 7.443 -4.335
81 HG2 PRO 13 1HG PRO 13 4.835 5.173 -4.403
82 HG3 PRO 13 2HG PRO 13 4.512 6.326 -3.068
83 HD2 PRO 13 1HD PRO 13 3.393 3.834 -3.177
84 HD3 PRO 13 2HD PRO 13 2.506 5.223 -2.487
85 H GLN 14 H GLN 14 3.027 3.239 -5.886
86 HA GLN 14 HA GLN 14 3.787 3.667 -8.761
87 HB2 GLN 14 1HB GLN 14 5.051 1.809 -6.717
88 HB3 GLN 14 2HB GLN 14 5.458 1.902 -8.436
89 HG2 GLN 14 1HG GLN 14 6.076 4.328 -8.105
90 HG3 GLN 14 2HG GLN 14 5.811 4.117 -6.373
91 HE21 GLN 14 1HE2 GLN 14 8.157 4.897 -6.367
92 HE22 GLN 14 2HE2 GLN 14 9.389 3.655 -6.544
93 H CYS 15 H CYS 15 1.987 1.575 -6.569
94 HA CYS 15 HA CYS 15 1.330 -0.270 -8.841
95 HB2 CYS 15 1HB CYS 15 0.891 -0.828 -5.906
96 HB3 CYS 15 2HB CYS 15 0.916 -1.974 -7.242
97 H SER 16 H SER 16 -0.821 -1.393 -8.523
98 HA SER 16 HA SER 16 -3.053 0.488 -8.079
99 HB2 SER 16 1HB SER 16 -2.861 -1.260 -9.962
100 HB3 SER 16 2HB SER 16 -3.273 -2.463 -8.728
101 HG SER 16 HG SER 16 -5.109 -1.638 -9.879
102 H TYR 17 H TYR 17 -1.128 -1.000 -5.968
103 HA TYR 17 HA TYR 17 -2.780 -2.522 -4.212
104 HB2 TYR 17 1HB TYR 17 -0.365 -2.722 -4.225
105 HB3 TYR 17 2HB TYR 17 -0.172 -1.030 -3.805
106 HD1 TYR 17 1HD TYR 17 -0.674 -0.193 -1.497
107 HD2 TYR 17 2HD TYR 17 -0.922 -4.385 -2.527
108 HE1 TYR 17 1HE TYR 17 -0.662 -0.785 0.905
109 HE2 TYR 17 2HE TYR 17 -0.896 -4.970 -0.108
110 HH TYR 17 HH TYR 17 -0.800 -4.188 2.029
111 H ALA 18 H ALA 18 -4.063 -1.994 -2.565
112 HA ALA 18 HA ALA 18 -3.833 0.598 -1.240
113 HB1 ALA 18 1HB ALA 18 -6.239 1.055 -1.330
114 HB2 ALA 18 2HB ALA 18 -5.582 0.958 -2.970
115 HB3 ALA 18 3HB ALA 18 -6.503 -0.410 -2.306
116 H SER 19 H SER 19 -4.633 0.620 0.890
117 HA SER 19 HA SER 19 -5.717 -1.878 2.051
118 HB2 SER 19 1HB SER 19 -3.163 -1.889 2.256
119 HB3 SER 19 2HB SER 19 -3.352 -0.540 3.391
120 HG SER 19 HG SER 19 -4.404 -3.191 3.552
121 H ALA 20 H ALA 20 -6.458 -1.613 4.276
122 HA ALA 20 HA ALA 20 -7.776 0.999 4.738
123 HB1 ALA 20 1HB ALA 20 -9.142 -0.270 6.328
124 HB2 ALA 20 2HB ALA 20 -9.119 -1.073 4.749
125 HB3 ALA 20 3HB ALA 20 -8.129 -1.709 6.085
126 H ILE 21 H ILE 21 -4.828 -0.288 5.579
127 HA ILE 21 HA ILE 21 -4.662 1.251 8.140
128 HB ILE 21 HB ILE 21 -3.524 -1.501 7.544
129 HG12 ILE 21 1HG1 ILE 21 -5.646 -0.633 9.560
130 HG13 ILE 21 2HG1 ILE 21 -5.936 -1.557 8.085
131 HG21 ILE 21 1HG2 ILE 21 -1.929 -0.198 8.878
132 HG22 ILE 21 2HG2 ILE 21 -3.205 0.201 10.055
133 HG23 ILE 21 3HG2 ILE 21 -2.622 -1.466 9.844
134 HD11 ILE 21 3HD1 ILE 21 -5.987 -3.107 9.868
135 HD12 ILE 21 1HD1 ILE 21 -4.470 -3.392 8.990
136 HD13 ILE 21 2HD1 ILE 21 -4.463 -2.525 10.548
137 H LYS 22 H LYS 22 -2.980 2.628 8.254
138 HA LYS 22 HA LYS 22 -1.361 3.223 5.986
139 HB2 LYS 22 1HB LYS 22 -2.098 4.770 7.863
140 HB3 LYS 22 2HB LYS 22 -0.845 4.054 8.874
141 HG2 LYS 22 1HG LYS 22 0.889 4.798 7.255
142 HG3 LYS 22 2HG LYS 22 -0.376 5.451 6.196
143 HD2 LYS 22 1HD LYS 22 -1.057 7.030 7.989
144 HD3 LYS 22 2HD LYS 22 0.210 6.372 9.048
145 HE2 LYS 22 1HE LYS 22 1.937 7.046 7.387
146 HE3 LYS 22 2HE LYS 22 0.675 7.704 6.340
147 HZ1 LYS 22 3HZ LYS 22 1.696 9.442 7.695
148 HZ2 LYS 22 1HZ LYS 22 1.293 8.681 9.080
149 HZ3 LYS 22 2HZ LYS 22 0.126 9.292 8.110
150 H ALA 23 H ALA 23 -0.565 1.371 8.915
151 HA ALA 23 HA ALA 23 2.202 0.998 8.436
152 HB1 ALA 23 1HB ALA 23 1.042 0.546 10.576
153 HB2 ALA 23 2HB ALA 23 0.219 -0.847 9.830
154 HB3 ALA 23 3HB ALA 23 1.981 -0.856 10.026
155 H ASN 24 H ASN 24 -0.590 -0.843 7.139
156 HA ASN 24 HA ASN 24 0.937 -2.968 5.938
157 HB2 ASN 24 1HB ASN 24 -1.781 -1.752 5.262
158 HB3 ASN 24 2HB ASN 24 -1.126 -3.173 4.482
159 HD21 ASN 24 1HD2 ASN 24 -3.507 -3.420 5.577
160 HD22 ASN 24 2HD2 ASN 24 -3.399 -4.442 7.016
161 H LEU 25 H LEU 25 -0.161 0.220 4.675
162 HA LEU 25 HA LEU 25 1.122 -0.050 2.125
163 HB2 LEU 25 1HB LEU 25 -0.672 1.562 2.510
164 HB3 LEU 25 2HB LEU 25 0.295 2.407 3.722
165 HG LEU 25 HG LEU 25 1.949 3.052 1.995
166 HD11 LEU 25 1HD1 LEU 25 1.411 2.726 -0.395
167 HD12 LEU 25 2HD1 LEU 25 0.032 1.690 0.053
168 HD13 LEU 25 3HD1 LEU 25 1.702 1.186 0.401
169 HD21 LEU 25 3HD2 LEU 25 -0.885 3.730 1.190
170 HD22 LEU 25 1HD2 LEU 25 0.576 4.659 0.803
171 HD23 LEU 25 2HD2 LEU 25 0.037 4.528 2.488
172 H ASN 26 H ASN 26 2.298 1.291 5.264
173 HA ASN 26 HA ASN 26 4.804 2.211 4.315
174 HB2 ASN 26 1HB ASN 26 3.780 2.667 6.561
175 HB3 ASN 26 2HB ASN 26 4.175 1.014 7.038
176 HD21 ASN 26 1HD2 ASN 26 5.348 2.186 8.806
177 HD22 ASN 26 2HD2 ASN 26 6.977 2.738 8.452
178 H VAL 27 H VAL 27 3.991 -1.094 5.572
179 HA VAL 27 HA VAL 27 6.583 -2.225 5.020
180 HB VAL 27 HB VAL 27 3.829 -3.499 5.231
181 HG11 VAL 27 1HG1 VAL 27 5.043 -5.641 5.656
182 HG12 VAL 27 2HG1 VAL 27 5.233 -5.078 3.997
183 HG13 VAL 27 3HG1 VAL 27 6.559 -4.855 5.163
184 HG21 VAL 27 3HG2 VAL 27 4.598 -4.168 7.467
185 HG22 VAL 27 1HG2 VAL 27 6.170 -3.382 7.182
186 HG23 VAL 27 2HG2 VAL 27 4.688 -2.412 7.305
187 H HIS 28 H HIS 28 3.664 -1.901 2.931
188 HA HIS 28 HA HIS 28 4.778 -3.349 0.744
189 HB2 HIS 28 1HB HIS 28 2.396 -2.827 0.914
190 HB3 HIS 28 2HB HIS 28 2.723 -1.102 0.800
191 HD1 HIS 28 1HD HIS 28 2.505 -4.195 -1.430
192 HD2 HIS 28 2HD HIS 28 3.378 -0.089 -1.594
193 HE1 HIS 28 1HE HIS 28 2.610 -3.610 -3.900
194 H LEU 29 H LEU 29 4.990 0.126 1.592
195 HA LEU 29 HA LEU 29 6.578 0.923 -0.687
196 HB2 LEU 29 1HB LEU 29 6.263 2.094 2.080
197 HB3 LEU 29 2HB LEU 29 7.191 2.876 0.802
198 HG LEU 29 HG LEU 29 4.315 2.116 0.348
199 HD11 LEU 29 1HD1 LEU 29 3.839 4.494 1.122
200 HD12 LEU 29 2HD1 LEU 29 5.562 4.605 1.608
201 HD13 LEU 29 3HD1 LEU 29 4.488 3.453 2.415
202 HD21 LEU 29 3HD2 LEU 29 4.396 4.087 -1.182
203 HD22 LEU 29 1HD2 LEU 29 5.462 2.778 -1.686
204 HD23 LEU 29 2HD2 LEU 29 6.139 4.220 -0.890
205 H ARG 30 H ARG 30 7.493 -0.413 2.499
206 HA ARG 30 HA ARG 30 10.211 0.243 2.349
207 HB2 ARG 30 1HB ARG 30 8.814 -2.172 3.574
208 HB3 ARG 30 2HB ARG 30 10.562 -2.012 3.637
209 HG2 ARG 30 1HG ARG 30 10.406 0.109 4.842
210 HG3 ARG 30 2HG ARG 30 8.656 0.092 4.719
211 HD2 ARG 30 1HD ARG 30 9.187 -0.653 6.911
212 HD3 ARG 30 2HD ARG 30 8.624 -2.067 6.004
213 HE ARG 30 HE ARG 30 11.536 -1.729 5.964
214 HH11 ARG 30 2HH1 ARG 30 8.983 -3.000 7.995
215 HH12 ARG 30 1HH1 ARG 30 10.052 -4.128 8.782
216 HH21 ARG 30 2HH2 ARG 30 12.845 -3.216 6.987
217 HH22 ARG 30 1HH2 ARG 30 12.172 -4.223 8.239
218 H LYS 31 H LYS 31 8.441 -2.086 0.463
219 HA LYS 31 HA LYS 31 10.762 -3.483 -0.665
220 HB2 LYS 31 1HB LYS 31 7.878 -3.390 -1.639
221 HB3 LYS 31 2HB LYS 31 9.131 -4.503 -2.177
222 HG2 LYS 31 1HG LYS 31 9.291 -5.482 0.079
223 HG3 LYS 31 2HG LYS 31 8.054 -4.362 0.677
224 HD2 LYS 31 1HD LYS 31 6.423 -5.276 -0.947
225 HD3 LYS 31 2HD LYS 31 7.617 -6.459 -1.494
226 HE2 LYS 31 1HE LYS 31 6.583 -6.199 1.372
227 HE3 LYS 31 2HE LYS 31 5.923 -7.316 0.176
228 HZ1 LYS 31 3HZ LYS 31 7.536 -8.435 1.575
229 HZ2 LYS 31 1HZ LYS 31 8.716 -7.377 1.189
230 HZ3 LYS 31 2HZ LYS 31 8.112 -8.386 0.051
231 H HIS 32 H HIS 32 8.928 -0.553 -1.462
232 HA HIS 32 HA HIS 32 10.248 -0.238 -4.076
233 HB2 HIS 32 1HB HIS 32 8.435 1.532 -2.401
234 HB3 HIS 32 2HB HIS 32 9.072 1.986 -3.985
235 HD1 HIS 32 1HD HIS 32 8.504 -0.317 -5.841
236 HD2 HIS 32 2HD HIS 32 5.954 0.826 -2.703
237 HE1 HIS 32 1HE HIS 32 6.239 -1.280 -6.419
238 H THR 33 H THR 33 10.690 1.062 -0.760
239 HA THR 33 HA THR 33 12.831 2.876 -1.674
240 HB THR 33 HB THR 33 12.795 3.722 0.621
241 HG1 THR 33 1HG THR 33 11.270 2.920 2.055
242 HG21 THR 33 3HG2 THR 33 11.174 4.620 -1.049
243 HG22 THR 33 1HG2 THR 33 10.571 4.702 0.614
244 HG23 THR 33 2HG2 THR 33 9.964 3.447 -0.485
245 H GLY 34 H GLY 34 12.755 -0.294 -0.417
246 HA2 GLY 34 1HA GLY 34 14.677 -1.700 -0.122
247 HA3 GLY 34 2HA GLY 34 15.665 -0.294 0.281
248 H GLU 35 H GLU 35 14.247 -2.933 1.593
249 HA GLU 35 HA GLU 35 12.944 -1.772 3.878
250 HB2 GLU 35 1HB GLU 35 12.200 -3.940 4.358
251 HB3 GLU 35 2HB GLU 35 12.182 -3.798 2.615
252 HG2 GLU 35 1HG GLU 35 14.242 -5.278 4.312
253 HG3 GLU 35 2HG GLU 35 12.948 -6.002 3.376
254 H LYS 36 H LYS 36 16.137 -2.104 3.503
255 HA LYS 36 HA LYS 36 16.877 -3.442 5.992
256 HB2 LYS 36 1HB LYS 36 18.695 -2.054 3.988
257 HB3 LYS 36 2HB LYS 36 19.148 -3.229 5.230
258 HG2 LYS 36 1HG LYS 36 17.632 -4.908 4.053
259 HG3 LYS 36 2HG LYS 36 17.467 -3.725 2.737
260 HD2 LYS 36 1HD LYS 36 20.019 -3.733 2.577
261 HD3 LYS 36 2HD LYS 36 20.002 -5.129 3.661
262 HE2 LYS 36 1HE LYS 36 18.728 -4.903 0.896
263 HE3 LYS 36 2HE LYS 36 20.159 -5.843 1.326
264 HZ1 LYS 36 3HZ LYS 36 18.671 -7.192 2.787
265 HZ2 LYS 36 1HZ LYS 36 18.261 -7.290 1.208
266 HZ3 LYS 36 2HZ LYS 36 17.367 -6.367 2.207
Start of MODEL 13
1 H1 GLY 1 1H GLY 1 -3.986 -7.621 -10.974
2 H2 GLY 1 2H GLY 1 -4.336 -6.453 -9.878
3 H3 GLY 1 3H GLY 1 -3.030 -6.296 -10.851
4 HA2 GLY 1 1HA GLY 1 -4.415 -6.112 -12.805
5 HA3 GLY 1 2HA GLY 1 -5.836 -6.318 -11.764
6 H SER 2 H SER 2 -5.033 -4.039 -13.537
7 HA SER 2 HA SER 2 -4.005 -1.864 -12.013
8 HB2 SER 2 1HB SER 2 -4.814 -0.486 -13.919
9 HB3 SER 2 2HB SER 2 -3.858 -1.895 -14.407
10 HG SER 2 HG SER 2 -5.772 -1.647 -15.672
11 H SER 3 H SER 3 -7.276 -3.102 -12.138
12 HA SER 3 HA SER 3 -8.711 -0.802 -11.295
13 HB2 SER 3 1HB SER 3 -9.304 -3.720 -10.674
14 HB3 SER 3 2HB SER 3 -10.459 -2.373 -10.649
15 HG SER 3 HG SER 3 -10.565 -3.557 -12.612
16 H GLY 4 H GLY 4 -6.549 -2.815 -9.416
17 HA2 GLY 4 1HA GLY 4 -5.850 -2.650 -7.219
18 HA3 GLY 4 2HA GLY 4 -6.695 -1.105 -7.129
19 H SER 5 H SER 5 -7.624 -1.302 -5.137
20 HA SER 5 HA SER 5 -9.826 -3.262 -4.837
21 HB2 SER 5 1HB SER 5 -7.750 -4.145 -3.691
22 HB3 SER 5 2HB SER 5 -7.837 -2.749 -2.606
23 HG SER 5 HG SER 5 -9.776 -4.817 -2.999
24 H SER 6 H SER 6 -11.572 -2.549 -3.721
25 HA SER 6 HA SER 6 -11.882 0.352 -3.669
26 HB2 SER 6 1HB SER 6 -13.917 -1.870 -3.291
27 HB3 SER 6 2HB SER 6 -14.278 -0.150 -3.530
28 HG SER 6 HG SER 6 -14.397 -1.348 -5.492
29 H GLY 7 H GLY 7 -13.005 1.551 -2.047
30 HA2 GLY 7 1HA GLY 7 -13.582 2.237 0.063
31 HA3 GLY 7 2HA GLY 7 -13.671 0.542 0.545
32 H LYS 8 H LYS 8 -10.631 1.648 -0.675
33 HA LYS 8 HA LYS 8 -9.400 1.533 2.059
34 HB2 LYS 8 1HB LYS 8 -8.648 0.246 -0.569
35 HB3 LYS 8 2HB LYS 8 -7.493 0.422 0.750
36 HG2 LYS 8 1HG LYS 8 -8.790 -0.934 2.242
37 HG3 LYS 8 2HG LYS 8 -10.201 -0.881 1.189
38 HD2 LYS 8 1HD LYS 8 -8.917 -2.119 -0.562
39 HD3 LYS 8 2HD LYS 8 -7.568 -2.285 0.584
40 HE2 LYS 8 1HE LYS 8 -9.056 -3.499 2.154
41 HE3 LYS 8 2HE LYS 8 -10.418 -3.267 1.047
42 HZ1 LYS 8 3HZ LYS 8 -9.193 -4.561 -0.620
43 HZ2 LYS 8 1HZ LYS 8 -9.463 -5.455 0.727
44 HZ3 LYS 8 2HZ LYS 8 -7.975 -4.842 0.437
45 HA PRO 9 HA PRO 9 -8.148 5.565 0.468
46 HB2 PRO 9 1HB PRO 9 -7.303 6.730 2.788
47 HB3 PRO 9 2HB PRO 9 -9.026 6.413 2.431
48 HG2 PRO 9 1HG PRO 9 -7.115 4.757 4.082
49 HG3 PRO 9 2HG PRO 9 -8.770 5.247 4.517
50 HD2 PRO 9 1HD PRO 9 -8.186 2.787 3.451
51 HD3 PRO 9 2HD PRO 9 -9.714 3.629 3.112
52 H TYR 10 H TYR 10 -5.928 3.553 2.438
53 HA TYR 10 HA TYR 10 -3.643 5.210 1.742
54 HB2 TYR 10 1HB TYR 10 -3.762 2.542 3.181
55 HB3 TYR 10 2HB TYR 10 -2.376 3.623 3.092
56 HD1 TYR 10 2HD TYR 10 -2.594 5.982 4.111
57 HD2 TYR 10 1HD TYR 10 -5.450 2.830 4.831
58 HE1 TYR 10 2HE TYR 10 -3.453 7.204 6.111
59 HE2 TYR 10 1HE TYR 10 -6.272 4.020 6.837
60 HH TYR 10 HH TYR 10 -6.077 5.886 8.168
61 H LYS 11 H LYS 11 -3.252 5.151 -0.415
62 HA LYS 11 HA LYS 11 -2.956 2.525 -1.800
63 HB2 LYS 11 1HB LYS 11 -3.400 5.248 -3.054
64 HB3 LYS 11 2HB LYS 11 -3.366 3.680 -3.869
65 HG2 LYS 11 1HG LYS 11 -5.373 3.046 -2.345
66 HG3 LYS 11 2HG LYS 11 -5.478 4.776 -1.984
67 HD2 LYS 11 1HD LYS 11 -5.541 5.191 -4.494
68 HD3 LYS 11 2HD LYS 11 -5.712 3.451 -4.722
69 HE2 LYS 11 1HE LYS 11 -7.624 5.275 -3.187
70 HE3 LYS 11 2HE LYS 11 -7.859 4.687 -4.833
71 HZ1 LYS 11 3HZ LYS 11 -7.848 2.387 -3.876
72 HZ2 LYS 11 1HZ LYS 11 -9.097 3.305 -3.369
73 HZ3 LYS 11 2HZ LYS 11 -7.851 3.050 -2.359
74 H CYS 12 H CYS 12 -1.294 2.078 -3.180
75 HA CYS 12 HA CYS 12 1.296 3.107 -2.447
76 HB2 CYS 12 1HB CYS 12 0.946 0.793 -2.997
77 HB3 CYS 12 2HB CYS 12 0.429 1.233 -4.630
78 HA PRO 13 HA PRO 13 1.609 6.426 -5.547
79 HB2 PRO 13 1HB PRO 13 4.559 5.969 -5.220
80 HB3 PRO 13 2HB PRO 13 3.632 7.491 -5.090
81 HG2 PRO 13 1HG PRO 13 4.582 6.215 -2.876
82 HG3 PRO 13 2HG PRO 13 2.961 6.984 -2.872
83 HD2 PRO 13 1HD PRO 13 3.625 4.042 -3.284
84 HD3 PRO 13 2HD PRO 13 2.383 4.817 -2.249
85 H GLN 14 H GLN 14 3.130 3.256 -5.793
86 HA GLN 14 HA GLN 14 3.808 3.694 -8.682
87 HB2 GLN 14 1HB GLN 14 5.029 1.769 -6.670
88 HB3 GLN 14 2HB GLN 14 5.460 1.915 -8.380
89 HG2 GLN 14 1HG GLN 14 6.083 4.335 -7.943
90 HG3 GLN 14 2HG GLN 14 5.817 4.038 -6.223
91 HE21 GLN 14 1HE2 GLN 14 8.174 4.820 -6.211
92 HE22 GLN 14 2HE2 GLN 14 9.397 3.578 -6.440
93 H CYS 15 H CYS 15 1.981 1.616 -6.512
94 HA CYS 15 HA CYS 15 1.262 -0.201 -8.788
95 HB2 CYS 15 1HB CYS 15 0.821 -0.760 -5.853
96 HB3 CYS 15 2HB CYS 15 0.825 -1.901 -7.195
97 H SER 16 H SER 16 -0.937 -1.251 -8.475
98 HA SER 16 HA SER 16 -3.096 0.690 -7.973
99 HB2 SER 16 1HB SER 16 -4.554 -1.144 -8.702
100 HB3 SER 16 2HB SER 16 -3.266 -0.829 -9.873
101 HG SER 16 HG SER 16 -3.628 -3.097 -9.344
102 H TYR 17 H TYR 17 -1.173 -1.055 -5.958
103 HA TYR 17 HA TYR 17 -2.789 -2.473 -4.163
104 HB2 TYR 17 1HB TYR 17 -0.381 -2.635 -4.166
105 HB3 TYR 17 2HB TYR 17 -0.213 -0.935 -3.774
106 HD1 TYR 17 1HD TYR 17 -0.698 -0.070 -1.470
107 HD2 TYR 17 2HD TYR 17 -0.886 -4.281 -2.436
108 HE1 TYR 17 1HE TYR 17 -0.698 -0.627 0.941
109 HE2 TYR 17 2HE TYR 17 -0.824 -4.827 -0.008
110 HH TYR 17 HH TYR 17 -0.712 -3.996 2.118
111 H ALA 18 H ALA 18 -4.066 -1.979 -2.478
112 HA ALA 18 HA ALA 18 -3.998 0.685 -1.256
113 HB1 ALA 18 1HB ALA 18 -5.728 0.825 -3.036
114 HB2 ALA 18 2HB ALA 18 -6.595 -0.533 -2.278
115 HB3 ALA 18 3HB ALA 18 -6.401 1.006 -1.402
116 H SER 19 H SER 19 -4.669 0.754 0.860
117 HA SER 19 HA SER 19 -5.568 -1.746 2.226
118 HB2 SER 19 1HB SER 19 -3.121 -1.580 2.436
119 HB3 SER 19 2HB SER 19 -3.281 0.062 3.087
120 HG SER 19 HG SER 19 -3.286 -1.041 4.885
121 H ALA 20 H ALA 20 -6.559 -1.437 4.243
122 HA ALA 20 HA ALA 20 -7.906 1.160 4.728
123 HB1 ALA 20 1HB ALA 20 -9.259 -0.143 6.308
124 HB2 ALA 20 2HB ALA 20 -9.247 -0.909 4.710
125 HB3 ALA 20 3HB ALA 20 -8.245 -1.573 6.024
126 H ILE 21 H ILE 21 -5.021 -0.288 5.605
127 HA ILE 21 HA ILE 21 -4.751 1.282 8.139
128 HB ILE 21 HB ILE 21 -3.571 -1.466 7.574
129 HG12 ILE 21 1HG1 ILE 21 -5.854 -0.746 9.467
130 HG13 ILE 21 2HG1 ILE 21 -6.021 -1.625 7.945
131 HG21 ILE 21 1HG2 ILE 21 -2.162 -0.031 9.045
132 HG22 ILE 21 2HG2 ILE 21 -3.553 0.222 10.123
133 HG23 ILE 21 3HG2 ILE 21 -2.820 -1.383 9.927
134 HD11 ILE 21 3HD1 ILE 21 -4.616 -2.615 10.439
135 HD12 ILE 21 1HD1 ILE 21 -6.067 -3.256 9.658
136 HD13 ILE 21 2HD1 ILE 21 -4.492 -3.407 8.848
137 H LYS 22 H LYS 22 -3.120 2.698 8.080
138 HA LYS 22 HA LYS 22 -1.478 3.116 5.797
139 HB2 LYS 22 1HB LYS 22 -2.258 4.793 7.535
140 HB3 LYS 22 2HB LYS 22 -1.010 4.178 8.618
141 HG2 LYS 22 1HG LYS 22 0.739 4.825 6.975
142 HG3 LYS 22 2HG LYS 22 -0.518 5.368 5.845
143 HD2 LYS 22 1HD LYS 22 -1.259 7.069 7.505
144 HD3 LYS 22 2HD LYS 22 0.009 6.521 8.623
145 HE2 LYS 22 1HE LYS 22 1.740 7.100 6.931
146 HE3 LYS 22 2HE LYS 22 0.476 7.649 5.822
147 HZ1 LYS 22 3HZ LYS 22 -0.124 9.357 7.458
148 HZ2 LYS 22 1HZ LYS 22 1.447 9.509 7.047
149 HZ3 LYS 22 2HZ LYS 22 1.044 8.850 8.484
150 H ALA 23 H ALA 23 -0.705 1.431 8.833
151 HA ALA 23 HA ALA 23 2.090 1.142 8.386
152 HB1 ALA 23 1HB ALA 23 1.944 -0.587 10.110
153 HB2 ALA 23 2HB ALA 23 0.982 0.837 10.553
154 HB3 ALA 23 3HB ALA 23 0.174 -0.632 9.940
155 H ASN 24 H ASN 24 -0.632 -0.777 7.124
156 HA ASN 24 HA ASN 24 0.936 -2.975 6.106
157 HB2 ASN 24 1HB ASN 24 -1.641 -2.704 6.516
158 HB3 ASN 24 2HB ASN 24 -1.623 -1.869 4.962
159 HD21 ASN 24 1HD2 ASN 24 -3.188 -3.534 4.395
160 HD22 ASN 24 2HD2 ASN 24 -2.601 -5.125 3.911
161 H LEU 25 H LEU 25 -0.150 0.152 4.695
162 HA LEU 25 HA LEU 25 1.153 -0.150 2.153
163 HB2 LEU 25 1HB LEU 25 -0.659 1.452 2.484
164 HB3 LEU 25 2HB LEU 25 0.263 2.305 3.720
165 HG LEU 25 HG LEU 25 1.963 2.960 2.035
166 HD11 LEU 25 1HD1 LEU 25 0.061 1.673 0.033
167 HD12 LEU 25 2HD1 LEU 25 1.695 1.092 0.428
168 HD13 LEU 25 3HD1 LEU 25 1.496 2.654 -0.358
169 HD21 LEU 25 3HD2 LEU 25 -0.854 3.682 1.199
170 HD22 LEU 25 1HD2 LEU 25 0.623 4.599 0.857
171 HD23 LEU 25 2HD2 LEU 25 0.056 4.440 2.528
172 H ASN 26 H ASN 26 2.239 1.262 5.285
173 HA ASN 26 HA ASN 26 4.784 2.179 4.475
174 HB2 ASN 26 1HB ASN 26 3.645 2.610 6.636
175 HB3 ASN 26 2HB ASN 26 3.959 0.952 7.134
176 HD21 ASN 26 1HD2 ASN 26 4.837 3.671 8.196
177 HD22 ASN 26 2HD2 ASN 26 6.570 3.454 8.382
178 H VAL 27 H VAL 27 3.949 -1.144 5.677
179 HA VAL 27 HA VAL 27 6.526 -2.280 5.156
180 HB VAL 27 HB VAL 27 3.774 -3.542 5.288
181 HG11 VAL 27 1HG1 VAL 27 5.180 -5.097 4.025
182 HG12 VAL 27 2HG1 VAL 27 6.496 -4.915 5.209
183 HG13 VAL 27 3HG1 VAL 27 4.968 -5.702 5.666
184 HG21 VAL 27 3HG2 VAL 27 4.529 -4.265 7.518
185 HG22 VAL 27 1HG2 VAL 27 6.105 -3.482 7.257
186 HG23 VAL 27 2HG2 VAL 27 4.631 -2.506 7.394
187 H HIS 28 H HIS 28 3.668 -1.964 2.992
188 HA HIS 28 HA HIS 28 4.805 -3.395 0.818
189 HB2 HIS 28 1HB HIS 28 2.430 -2.841 0.978
190 HB3 HIS 28 2HB HIS 28 2.777 -1.125 0.868
191 HD1 HIS 28 1HD HIS 28 2.605 -4.221 -1.377
192 HD2 HIS 28 2HD HIS 28 3.283 -0.076 -1.519
193 HE1 HIS 28 1HE HIS 28 2.595 -3.602 -3.840
194 H LEU 29 H LEU 29 5.077 0.066 1.681
195 HA LEU 29 HA LEU 29 6.609 0.861 -0.636
196 HB2 LEU 29 1HB LEU 29 6.357 2.037 2.135
197 HB3 LEU 29 2HB LEU 29 7.232 2.831 0.828
198 HG LEU 29 HG LEU 29 4.358 2.024 0.453
199 HD11 LEU 29 1HD1 LEU 29 5.585 4.523 1.707
200 HD12 LEU 29 2HD1 LEU 29 4.547 3.345 2.522
201 HD13 LEU 29 3HD1 LEU 29 3.856 4.388 1.253
202 HD21 LEU 29 3HD2 LEU 29 6.075 4.207 -0.797
203 HD22 LEU 29 1HD2 LEU 29 4.343 3.951 -1.087
204 HD23 LEU 29 2HD2 LEU 29 5.498 2.722 -1.592
205 H ARG 30 H ARG 30 7.612 -0.507 2.491
206 HA ARG 30 HA ARG 30 10.316 0.242 2.343
207 HB2 ARG 30 1HB ARG 30 9.068 -2.311 3.454
208 HB3 ARG 30 2HB ARG 30 10.779 -1.935 3.658
209 HG2 ARG 30 1HG ARG 30 10.329 0.024 4.965
210 HG3 ARG 30 2HG ARG 30 8.620 -0.016 4.567
211 HD2 ARG 30 1HD ARG 30 8.613 -2.374 5.699
212 HD3 ARG 30 2HD ARG 30 10.168 -1.868 6.386
213 HE ARG 30 HE ARG 30 8.042 0.114 6.733
214 HH11 ARG 30 2HH1 ARG 30 9.273 -2.828 8.215
215 HH12 ARG 30 1HH1 ARG 30 8.537 -2.445 9.747
216 HH21 ARG 30 2HH2 ARG 30 7.188 0.528 8.628
217 HH22 ARG 30 1HH2 ARG 30 7.372 -0.559 9.993
218 H LYS 31 H LYS 31 8.609 -2.085 0.453
219 HA LYS 31 HA LYS 31 10.915 -3.440 -0.755
220 HB2 LYS 31 1HB LYS 31 7.997 -3.355 -1.629
221 HB3 LYS 31 2HB LYS 31 9.234 -4.465 -2.213
222 HG2 LYS 31 1HG LYS 31 9.451 -5.472 0.019
223 HG3 LYS 31 2HG LYS 31 8.256 -4.342 0.682
224 HD2 LYS 31 1HD LYS 31 6.542 -5.210 -0.872
225 HD3 LYS 31 2HD LYS 31 7.693 -6.397 -1.501
226 HE2 LYS 31 1HE LYS 31 6.800 -6.183 1.416
227 HE3 LYS 31 2HE LYS 31 6.072 -7.269 0.229
228 HZ1 LYS 31 3HZ LYS 31 8.239 -8.360 -0.021
229 HZ2 LYS 31 1HZ LYS 31 7.736 -8.434 1.528
230 HZ3 LYS 31 2HZ LYS 31 8.907 -7.382 1.109
231 H HIS 32 H HIS 32 8.961 -0.556 -1.482
232 HA HIS 32 HA HIS 32 10.172 -0.196 -4.137
233 HB2 HIS 32 1HB HIS 32 8.383 1.529 -2.391
234 HB3 HIS 32 2HB HIS 32 8.960 2.005 -3.992
235 HD1 HIS 32 1HD HIS 32 8.412 -0.322 -5.831
236 HD2 HIS 32 2HD HIS 32 5.903 0.780 -2.645
237 HE1 HIS 32 1HE HIS 32 6.158 -1.346 -6.351
238 H THR 33 H THR 33 10.748 1.093 -0.827
239 HA THR 33 HA THR 33 12.782 2.971 -1.766
240 HB THR 33 HB THR 33 13.272 3.313 0.625
241 HG1 THR 33 1HG THR 33 11.997 2.296 2.142
242 HG21 THR 33 3HG2 THR 33 11.465 4.608 -0.493
243 HG22 THR 33 1HG2 THR 33 11.140 4.342 1.228
244 HG23 THR 33 2HG2 THR 33 10.284 3.377 0.007
245 H GLY 34 H GLY 34 12.925 -0.174 -0.032
246 HA2 GLY 34 1HA GLY 34 14.546 -1.803 0.031
247 HA3 GLY 34 2HA GLY 34 15.097 -1.179 -1.519
248 H GLU 35 H GLU 35 17.248 -1.556 -1.102
249 HA GLU 35 HA GLU 35 18.631 0.543 0.426
250 HB2 GLU 35 1HB GLU 35 18.453 -1.390 1.995
251 HB3 GLU 35 2HB GLU 35 19.289 -2.409 0.818
252 HG2 GLU 35 1HG GLU 35 21.300 -0.985 0.989
253 HG3 GLU 35 2HG GLU 35 20.446 0.126 2.062
254 H LYS 36 H LYS 36 20.498 1.208 -0.571
255 HA LYS 36 HA LYS 36 21.715 -0.313 -2.789
256 HB2 LYS 36 1HB LYS 36 19.829 1.021 -3.770
257 HB3 LYS 36 2HB LYS 36 20.602 2.500 -3.182
258 HG2 LYS 36 1HG LYS 36 22.587 2.022 -4.589
259 HG3 LYS 36 2HG LYS 36 21.850 0.499 -5.127
260 HD2 LYS 36 1HD LYS 36 19.947 1.787 -6.097
261 HD3 LYS 36 2HD LYS 36 20.726 3.301 -5.627
262 HE2 LYS 36 1HE LYS 36 21.923 1.209 -7.510
263 HE3 LYS 36 2HE LYS 36 21.036 2.640 -8.039
264 HZ1 LYS 36 3HZ LYS 36 23.411 3.048 -8.094
265 HZ2 LYS 36 1HZ LYS 36 23.583 2.695 -6.513
266 HZ3 LYS 36 2HZ LYS 36 22.739 4.021 -6.971
Start of MODEL 14
1 H1 GLY 1 1H GLY 1 -9.575 18.201 -1.426
2 H2 GLY 1 2H GLY 1 -8.665 17.680 -2.682
3 H3 GLY 1 3H GLY 1 -7.949 18.406 -1.399
4 HA2 GLY 1 1HA GLY 1 -7.583 16.032 -1.305
5 HA3 GLY 1 2HA GLY 1 -8.560 16.601 0.062
6 H SER 2 H SER 2 -8.668 13.970 -0.528
7 HA SER 2 HA SER 2 -10.814 13.257 -2.358
8 HB2 SER 2 1HB SER 2 -9.000 11.706 -1.863
9 HB3 SER 2 2HB SER 2 -9.467 11.665 -0.150
10 HG SER 2 HG SER 2 -10.296 9.905 -1.485
11 H SER 3 H SER 3 -12.884 12.610 -1.933
12 HA SER 3 HA SER 3 -14.211 13.494 0.546
13 HB2 SER 3 1HB SER 3 -15.341 12.137 -1.928
14 HB3 SER 3 2HB SER 3 -16.277 12.852 -0.601
15 HG SER 3 HG SER 3 -16.064 14.286 -2.385
16 H GLY 4 H GLY 4 -12.477 10.748 -0.182
17 HA2 GLY 4 1HA GLY 4 -12.265 8.758 0.993
18 HA3 GLY 4 2HA GLY 4 -13.712 9.132 1.931
19 H SER 5 H SER 5 -14.379 9.427 -1.390
20 HA SER 5 HA SER 5 -16.053 7.053 -1.460
21 HB2 SER 5 1HB SER 5 -16.639 7.937 -3.728
22 HB3 SER 5 2HB SER 5 -16.878 9.089 -2.404
23 HG SER 5 HG SER 5 -15.800 10.007 -4.248
24 H SER 6 H SER 6 -12.769 7.476 -2.155
25 HA SER 6 HA SER 6 -12.550 5.619 -4.388
26 HB2 SER 6 1HB SER 6 -10.139 6.053 -4.158
27 HB3 SER 6 2HB SER 6 -11.092 7.541 -4.240
28 HG SER 6 HG SER 6 -9.535 7.647 -2.570
29 H GLY 7 H GLY 7 -13.434 4.783 -1.432
30 HA2 GLY 7 1HA GLY 7 -13.473 2.710 -0.383
31 HA3 GLY 7 2HA GLY 7 -12.405 2.074 -1.631
32 H LYS 8 H LYS 8 -10.692 1.196 -0.643
33 HA LYS 8 HA LYS 8 -9.593 1.782 1.906
34 HB2 LYS 8 1HB LYS 8 -8.508 0.428 -0.580
35 HB3 LYS 8 2HB LYS 8 -7.532 0.591 0.875
36 HG2 LYS 8 1HG LYS 8 -9.072 -0.677 2.207
37 HG3 LYS 8 2HG LYS 8 -10.309 -0.640 0.947
38 HD2 LYS 8 1HD LYS 8 -8.874 -2.012 -0.534
39 HD3 LYS 8 2HD LYS 8 -7.613 -2.049 0.712
40 HE2 LYS 8 1HE LYS 8 -9.179 -3.179 2.272
41 HE3 LYS 8 2HE LYS 8 -10.451 -3.120 1.045
42 HZ1 LYS 8 3HZ LYS 8 -9.075 -4.543 -0.370
43 HZ2 LYS 8 1HZ LYS 8 -9.331 -5.277 1.062
44 HZ3 LYS 8 2HZ LYS 8 -7.883 -4.592 0.748
45 HA PRO 9 HA PRO 9 -7.958 5.729 0.630
46 HB2 PRO 9 1HB PRO 9 -7.088 6.730 3.017
47 HB3 PRO 9 2HB PRO 9 -8.814 6.501 2.626
48 HG2 PRO 9 1HG PRO 9 -6.993 4.673 4.192
49 HG3 PRO 9 2HG PRO 9 -8.625 5.214 4.648
50 HD2 PRO 9 1HD PRO 9 -8.150 2.787 3.450
51 HD3 PRO 9 2HD PRO 9 -9.628 3.723 3.145
52 H TYR 10 H TYR 10 -5.828 3.532 2.500
53 HA TYR 10 HA TYR 10 -3.483 5.119 1.829
54 HB2 TYR 10 1HB TYR 10 -3.677 2.434 3.225
55 HB3 TYR 10 2HB TYR 10 -2.263 3.476 3.133
56 HD1 TYR 10 2HD TYR 10 -2.354 5.793 4.218
57 HD2 TYR 10 1HD TYR 10 -5.385 2.791 4.863
58 HE1 TYR 10 2HE TYR 10 -3.157 7.022 6.235
59 HE2 TYR 10 1HE TYR 10 -6.145 3.982 6.892
60 HH TYR 10 HH TYR 10 -5.858 5.814 8.257
61 H LYS 11 H LYS 11 -3.209 5.103 -0.330
62 HA LYS 11 HA LYS 11 -2.972 2.521 -1.809
63 HB2 LYS 11 1HB LYS 11 -3.342 5.297 -2.969
64 HB3 LYS 11 2HB LYS 11 -3.392 3.751 -3.823
65 HG2 LYS 11 1HG LYS 11 -5.408 3.181 -2.276
66 HG3 LYS 11 2HG LYS 11 -5.422 4.905 -1.881
67 HD2 LYS 11 1HD LYS 11 -5.499 5.374 -4.377
68 HD3 LYS 11 2HD LYS 11 -5.745 3.651 -4.647
69 HE2 LYS 11 1HE LYS 11 -7.568 5.497 -3.027
70 HE3 LYS 11 2HE LYS 11 -7.841 4.997 -4.698
71 HZ1 LYS 11 3HZ LYS 11 -9.123 3.604 -3.257
72 HZ2 LYS 11 1HZ LYS 11 -7.851 3.240 -2.313
73 HZ3 LYS 11 2HZ LYS 11 -7.926 2.665 -3.865
74 H CYS 12 H CYS 12 -1.295 2.058 -3.153
75 HA CYS 12 HA CYS 12 1.307 3.116 -2.497
76 HB2 CYS 12 1HB CYS 12 0.938 0.781 -2.994
77 HB3 CYS 12 2HB CYS 12 0.355 1.184 -4.617
78 HA PRO 13 HA PRO 13 1.346 6.283 -5.744
79 HB2 PRO 13 1HB PRO 13 3.947 7.084 -5.584
80 HB3 PRO 13 2HB PRO 13 2.746 7.446 -4.308
81 HG2 PRO 13 1HG PRO 13 4.776 5.191 -4.371
82 HG3 PRO 13 2HG PRO 13 4.434 6.336 -3.034
83 HD2 PRO 13 1HD PRO 13 3.334 3.833 -3.168
84 HD3 PRO 13 2HD PRO 13 2.439 5.210 -2.465
85 H GLN 14 H GLN 14 2.990 3.246 -5.860
86 HA GLN 14 HA GLN 14 3.787 3.680 -8.723
87 HB2 GLN 14 1HB GLN 14 5.012 1.815 -6.661
88 HB3 GLN 14 2HB GLN 14 5.445 1.904 -8.375
89 HG2 GLN 14 1HG GLN 14 6.066 4.329 -8.034
90 HG3 GLN 14 2HG GLN 14 5.774 4.119 -6.308
91 HE21 GLN 14 1HE2 GLN 14 8.119 4.888 -6.252
92 HE22 GLN 14 2HE2 GLN 14 9.351 3.644 -6.418
93 H CYS 15 H CYS 15 1.929 1.603 -6.571
94 HA CYS 15 HA CYS 15 1.261 -0.213 -8.865
95 HB2 CYS 15 1HB CYS 15 0.820 -0.830 -5.944
96 HB3 CYS 15 2HB CYS 15 0.861 -1.946 -7.305
97 H SER 16 H SER 16 -0.907 -1.284 -8.631
98 HA SER 16 HA SER 16 -3.119 0.573 -8.094
99 HB2 SER 16 1HB SER 16 -3.170 -2.378 -8.826
100 HB3 SER 16 2HB SER 16 -4.549 -1.262 -8.838
101 HG SER 16 HG SER 16 -3.626 -1.530 -10.929
102 H TYR 17 H TYR 17 -1.195 -0.973 -5.993
103 HA TYR 17 HA TYR 17 -2.866 -2.489 -4.257
104 HB2 TYR 17 1HB TYR 17 -0.448 -2.707 -4.286
105 HB3 TYR 17 2HB TYR 17 -0.243 -1.024 -3.836
106 HD1 TYR 17 1HD TYR 17 -0.616 -0.238 -1.513
107 HD2 TYR 17 2HD TYR 17 -1.119 -4.389 -2.620
108 HE1 TYR 17 1HE TYR 17 -0.603 -0.873 0.873
109 HE2 TYR 17 2HE TYR 17 -1.069 -5.020 -0.206
110 HH TYR 17 HH TYR 17 -0.605 -2.584 2.371
111 H ALA 18 H ALA 18 -4.115 -1.974 -2.558
112 HA ALA 18 HA ALA 18 -3.859 0.616 -1.228
113 HB1 ALA 18 1HB ALA 18 -6.554 -0.358 -2.263
114 HB2 ALA 18 2HB ALA 18 -6.243 1.115 -1.311
115 HB3 ALA 18 3HB ALA 18 -5.613 0.977 -2.964
116 H SER 19 H SER 19 -4.521 0.618 0.926
117 HA SER 19 HA SER 19 -5.750 -1.833 2.070
118 HB2 SER 19 1HB SER 19 -3.244 -1.979 2.356
119 HB3 SER 19 2HB SER 19 -3.334 -0.516 3.353
120 HG SER 19 HG SER 19 -4.756 -2.969 3.794
121 H ALA 20 H ALA 20 -6.648 -1.540 4.191
122 HA ALA 20 HA ALA 20 -7.767 1.136 4.733
123 HB1 ALA 20 1HB ALA 20 -9.224 -0.857 4.768
124 HB2 ALA 20 2HB ALA 20 -8.224 -1.567 6.058
125 HB3 ALA 20 3HB ALA 20 -9.145 -0.078 6.358
126 H ILE 21 H ILE 21 -4.895 -0.436 5.517
127 HA ILE 21 HA ILE 21 -4.627 0.960 8.154
128 HB ILE 21 HB ILE 21 -3.421 -1.690 7.293
129 HG12 ILE 21 1HG1 ILE 21 -5.669 -1.122 9.280
130 HG13 ILE 21 2HG1 ILE 21 -5.855 -1.891 7.702
131 HG21 ILE 21 1HG2 ILE 21 -3.346 -0.271 10.002
132 HG22 ILE 21 2HG2 ILE 21 -2.605 -1.839 9.618
133 HG23 ILE 21 3HG2 ILE 21 -1.981 -0.388 8.872
134 HD11 ILE 21 3HD1 ILE 21 -4.429 -3.067 10.104
135 HD12 ILE 21 1HD1 ILE 21 -5.913 -3.622 9.320
136 HD13 ILE 21 2HD1 ILE 21 -4.365 -3.761 8.462
137 H LYS 22 H LYS 22 -3.128 2.469 8.234
138 HA LYS 22 HA LYS 22 -1.457 3.235 6.073
139 HB2 LYS 22 1HB LYS 22 -2.359 4.646 7.973
140 HB3 LYS 22 2HB LYS 22 -1.130 3.947 9.025
141 HG2 LYS 22 1HG LYS 22 0.653 4.885 7.592
142 HG3 LYS 22 2HG LYS 22 -0.563 5.502 6.456
143 HD2 LYS 22 1HD LYS 22 -1.503 6.939 8.261
144 HD3 LYS 22 2HD LYS 22 -0.267 6.327 9.382
145 HE2 LYS 22 1HE LYS 22 1.516 7.217 7.897
146 HE3 LYS 22 2HE LYS 22 0.288 7.818 6.775
147 HZ1 LYS 22 3HZ LYS 22 -0.528 9.274 8.556
148 HZ2 LYS 22 1HZ LYS 22 1.051 9.570 8.275
149 HZ3 LYS 22 2HZ LYS 22 0.607 8.717 9.592
150 H ALA 23 H ALA 23 -0.636 1.365 8.985
151 HA ALA 23 HA ALA 23 2.159 1.126 8.548
152 HB1 ALA 23 1HB ALA 23 0.997 0.609 10.666
153 HB2 ALA 23 2HB ALA 23 0.224 -0.801 9.898
154 HB3 ALA 23 3HB ALA 23 1.985 -0.758 10.115
155 H ASN 24 H ASN 24 -0.552 -0.758 7.181
156 HA ASN 24 HA ASN 24 1.082 -2.866 6.092
157 HB2 ASN 24 1HB ASN 24 -1.456 -2.827 6.636
158 HB3 ASN 24 2HB ASN 24 -1.659 -1.979 5.109
159 HD21 ASN 24 1HD2 ASN 24 -3.005 -3.794 4.558
160 HD22 ASN 24 2HD2 ASN 24 -2.271 -5.303 4.009
161 H LEU 25 H LEU 25 -0.160 0.236 4.743
162 HA LEU 25 HA LEU 25 1.081 -0.069 2.162
163 HB2 LEU 25 1HB LEU 25 -0.696 1.565 2.535
164 HB3 LEU 25 2HB LEU 25 0.281 2.409 3.741
165 HG LEU 25 HG LEU 25 1.951 3.005 2.000
166 HD11 LEU 25 1HD1 LEU 25 -0.003 1.659 0.086
167 HD12 LEU 25 2HD1 LEU 25 1.665 1.139 0.424
168 HD13 LEU 25 3HD1 LEU 25 1.386 2.670 -0.391
169 HD21 LEU 25 3HD2 LEU 25 -0.848 3.777 1.175
170 HD22 LEU 25 1HD2 LEU 25 0.649 4.650 0.820
171 HD23 LEU 25 2HD2 LEU 25 0.078 4.531 2.495
172 H ASN 26 H ASN 26 2.284 1.242 5.301
173 HA ASN 26 HA ASN 26 4.794 2.157 4.243
174 HB2 ASN 26 1HB ASN 26 3.812 1.467 7.015
175 HB3 ASN 26 2HB ASN 26 5.530 1.709 6.729
176 HD21 ASN 26 1HD2 ASN 26 2.349 3.355 6.282
177 HD22 ASN 26 2HD2 ASN 26 3.068 4.962 6.361
178 H VAL 27 H VAL 27 3.941 -1.102 5.576
179 HA VAL 27 HA VAL 27 6.539 -2.233 5.023
180 HB VAL 27 HB VAL 27 3.778 -3.515 5.224
181 HG11 VAL 27 1HG1 VAL 27 5.192 -5.082 3.987
182 HG12 VAL 27 2HG1 VAL 27 6.517 -4.857 5.155
183 HG13 VAL 27 3HG1 VAL 27 5.003 -5.654 5.643
184 HG21 VAL 27 3HG2 VAL 27 4.553 -4.193 7.461
185 HG22 VAL 27 1HG2 VAL 27 6.120 -3.400 7.179
186 HG23 VAL 27 2HG2 VAL 27 4.635 -2.435 7.308
187 H HIS 28 H HIS 28 3.622 -1.902 2.936
188 HA HIS 28 HA HIS 28 4.739 -3.336 0.741
189 HB2 HIS 28 1HB HIS 28 2.357 -2.814 0.930
190 HB3 HIS 28 2HB HIS 28 2.685 -1.090 0.806
191 HD1 HIS 28 1HD HIS 28 2.443 -4.192 -1.406
192 HD2 HIS 28 2HD HIS 28 3.311 -0.088 -1.598
193 HE1 HIS 28 1HE HIS 28 2.510 -3.617 -3.880
194 H LEU 29 H LEU 29 4.957 0.133 1.612
195 HA LEU 29 HA LEU 29 6.569 0.926 -0.656
196 HB2 LEU 29 1HB LEU 29 6.225 2.116 2.100
197 HB3 LEU 29 2HB LEU 29 7.158 2.882 0.813
198 HG LEU 29 HG LEU 29 4.267 2.147 0.388
199 HD11 LEU 29 1HD1 LEU 29 3.840 4.551 1.090
200 HD12 LEU 29 2HD1 LEU 29 5.569 4.653 1.553
201 HD13 LEU 29 3HD1 LEU 29 4.488 3.545 2.409
202 HD21 LEU 29 3HD2 LEU 29 6.126 4.179 -0.922
203 HD22 LEU 29 1HD2 LEU 29 4.379 4.072 -1.199
204 HD23 LEU 29 2HD2 LEU 29 5.416 2.731 -1.675
205 H ARG 30 H ARG 30 7.423 -0.396 2.547
206 HA ARG 30 HA ARG 30 10.149 0.246 2.445
207 HB2 ARG 30 1HB ARG 30 8.623 -2.022 3.780
208 HB3 ARG 30 2HB ARG 30 10.380 -1.968 3.877
209 HG2 ARG 30 1HG ARG 30 10.371 0.169 4.959
210 HG3 ARG 30 2HG ARG 30 8.662 0.402 4.696
211 HD2 ARG 30 1HD ARG 30 9.051 -0.191 7.004
212 HD3 ARG 30 2HD ARG 30 8.157 -1.494 6.210
213 HE ARG 30 HE ARG 30 10.986 -2.016 6.094
214 HH11 ARG 30 2HH1 ARG 30 8.405 -2.050 8.465
215 HH12 ARG 30 1HH1 ARG 30 9.180 -3.283 9.422
216 HH21 ARG 30 2HH2 ARG 30 11.918 -3.584 7.364
217 HH22 ARG 30 1HH2 ARG 30 11.121 -4.114 8.815
218 H LYS 31 H LYS 31 8.433 -2.018 0.519
219 HA LYS 31 HA LYS 31 10.784 -3.436 -0.553
220 HB2 LYS 31 1HB LYS 31 7.914 -3.342 -1.567
221 HB3 LYS 31 2HB LYS 31 9.182 -4.436 -2.111
222 HG2 LYS 31 1HG LYS 31 9.307 -5.467 0.122
223 HG3 LYS 31 2HG LYS 31 8.061 -4.362 0.730
224 HD2 LYS 31 1HD LYS 31 6.453 -5.238 -0.941
225 HD3 LYS 31 2HD LYS 31 7.656 -6.407 -1.498
226 HE2 LYS 31 1HE LYS 31 6.577 -6.217 1.356
227 HE3 LYS 31 2HE LYS 31 5.940 -7.307 0.123
228 HZ1 LYS 31 3HZ LYS 31 8.716 -7.386 1.181
229 HZ2 LYS 31 1HZ LYS 31 8.133 -8.368 0.008
230 HZ3 LYS 31 2HZ LYS 31 7.534 -8.455 1.521
231 H HIS 32 H HIS 32 8.840 -0.564 -1.420
232 HA HIS 32 HA HIS 32 10.147 -0.244 -4.024
233 HB2 HIS 32 1HB HIS 32 8.325 1.542 -2.370
234 HB3 HIS 32 2HB HIS 32 8.950 1.969 -3.961
235 HD1 HIS 32 1HD HIS 32 8.411 -0.312 -5.807
236 HD2 HIS 32 2HD HIS 32 5.858 0.762 -2.650
237 HE1 HIS 32 1HE HIS 32 6.158 -1.300 -6.390
238 H THR 33 H THR 33 10.740 1.023 -0.725
239 HA THR 33 HA THR 33 12.575 3.081 -1.561
240 HB THR 33 HB THR 33 13.321 3.058 0.834
241 HG1 THR 33 1HG THR 33 12.974 0.995 1.485
242 HG21 THR 33 3HG2 THR 33 11.437 4.467 0.107
243 HG22 THR 33 1HG2 THR 33 11.195 3.854 1.754
244 HG23 THR 33 2HG2 THR 33 10.305 3.128 0.400
245 H GLY 34 H GLY 34 13.067 -0.352 -0.976
246 HA2 GLY 34 1HA GLY 34 14.838 -1.729 -1.505
247 HA3 GLY 34 2HA GLY 34 15.500 -0.400 -2.447
248 H GLU 35 H GLU 35 17.570 -1.208 -1.823
249 HA GLU 35 HA GLU 35 18.468 -0.970 0.966
250 HB2 GLU 35 1HB GLU 35 20.584 -1.800 0.174
251 HB3 GLU 35 2HB GLU 35 19.267 -2.817 -0.405
252 HG2 GLU 35 1HG GLU 35 19.400 -1.685 -2.638
253 HG3 GLU 35 2HG GLU 35 20.750 -0.714 -2.049
254 H LYS 36 H LYS 36 20.335 0.280 1.589
255 HA LYS 36 HA LYS 36 21.030 2.689 0.056
256 HB2 LYS 36 1HB LYS 36 20.501 4.234 1.853
257 HB3 LYS 36 2HB LYS 36 19.047 3.420 1.279
258 HG2 LYS 36 1HG LYS 36 19.121 1.897 3.258
259 HG3 LYS 36 2HG LYS 36 20.576 2.736 3.833
260 HD2 LYS 36 1HD LYS 36 19.299 4.857 3.975
261 HD3 LYS 36 2HD LYS 36 17.841 4.015 3.405
262 HE2 LYS 36 1HE LYS 36 17.951 2.498 5.368
263 HE3 LYS 36 2HE LYS 36 19.409 3.323 5.933
264 HZ1 LYS 36 3HZ LYS 36 16.739 4.598 5.640
265 HZ2 LYS 36 1HZ LYS 36 18.088 5.360 6.162
266 HZ3 LYS 36 2HZ LYS 36 17.428 4.165 7.054
Start of MODEL 15
1 H1 GLY 1 1H GLY 1 -12.451 -18.057 -0.089
2 H2 GLY 1 2H GLY 1 -12.221 -16.649 0.716
3 H3 GLY 1 3H GLY 1 -11.031 -17.250 -0.233
4 HA2 GLY 1 1HA GLY 1 -12.371 -16.947 -2.213
5 HA3 GLY 1 2HA GLY 1 -13.649 -16.283 -1.182
6 H SER 2 H SER 2 -13.417 -14.439 -2.692
7 HA SER 2 HA SER 2 -11.664 -12.362 -1.564
8 HB2 SER 2 1HB SER 2 -10.792 -11.652 -3.741
9 HB3 SER 2 2HB SER 2 -10.241 -13.278 -3.331
10 HG SER 2 HG SER 2 -11.756 -14.139 -4.757
11 H SER 3 H SER 3 -12.190 -10.181 -2.465
12 HA SER 3 HA SER 3 -14.917 -9.875 -3.587
13 HB2 SER 3 1HB SER 3 -15.562 -8.290 -1.845
14 HB3 SER 3 2HB SER 3 -15.224 -9.883 -1.154
15 HG SER 3 HG SER 3 -14.264 -8.197 0.068
16 H GLY 4 H GLY 4 -15.406 -7.729 -4.325
17 HA2 GLY 4 1HA GLY 4 -13.145 -6.426 -5.650
18 HA3 GLY 4 2HA GLY 4 -14.860 -6.084 -5.865
19 H SER 5 H SER 5 -14.090 -5.972 -2.545
20 HA SER 5 HA SER 5 -14.880 -3.298 -2.281
21 HB2 SER 5 1HB SER 5 -13.315 -5.010 -0.315
22 HB3 SER 5 2HB SER 5 -14.203 -3.521 0.074
23 HG SER 5 HG SER 5 -15.462 -5.397 0.482
24 H SER 6 H SER 6 -13.897 -1.531 -2.884
25 HA SER 6 HA SER 6 -10.918 -1.259 -2.732
26 HB2 SER 6 1HB SER 6 -12.846 -0.128 -4.789
27 HB3 SER 6 2HB SER 6 -11.093 0.130 -4.750
28 HG SER 6 HG SER 6 -12.451 -2.359 -5.073
29 H GLY 7 H GLY 7 -13.344 -0.215 -0.945
30 HA2 GLY 7 1HA GLY 7 -12.997 2.674 -0.872
31 HA3 GLY 7 2HA GLY 7 -13.868 1.673 0.291
32 H LYS 8 H LYS 8 -10.488 1.940 -0.799
33 HA LYS 8 HA LYS 8 -9.473 1.785 2.022
34 HB2 LYS 8 1HB LYS 8 -8.552 0.562 -0.589
35 HB3 LYS 8 2HB LYS 8 -7.503 0.642 0.823
36 HG2 LYS 8 1HG LYS 8 -8.836 -0.825 2.093
37 HG3 LYS 8 2HG LYS 8 -10.272 -0.555 1.103
38 HD2 LYS 8 1HD LYS 8 -9.256 -1.740 -0.790
39 HD3 LYS 8 2HD LYS 8 -7.781 -2.035 0.156
40 HE2 LYS 8 1HE LYS 8 -8.965 -3.423 1.734
41 HE3 LYS 8 2HE LYS 8 -10.538 -2.925 1.094
42 HZ1 LYS 8 3HZ LYS 8 -8.558 -4.479 -0.479
43 HZ2 LYS 8 1HZ LYS 8 -10.088 -4.083 -0.938
44 HZ3 LYS 8 2HZ LYS 8 -9.844 -5.134 0.289
45 HA PRO 9 HA PRO 9 -7.961 5.790 0.667
46 HB2 PRO 9 1HB PRO 9 -7.059 6.804 3.032
47 HB3 PRO 9 2HB PRO 9 -8.791 6.565 2.673
48 HG2 PRO 9 1HG PRO 9 -6.936 4.780 4.241
49 HG3 PRO 9 2HG PRO 9 -8.582 5.288 4.687
50 HD2 PRO 9 1HD PRO 9 -8.004 2.862 3.494
51 HD3 PRO 9 2HD PRO 9 -9.544 3.719 3.248
52 H TYR 10 H TYR 10 -5.805 3.604 2.524
53 HA TYR 10 HA TYR 10 -3.465 5.181 1.828
54 HB2 TYR 10 1HB TYR 10 -3.657 2.496 3.229
55 HB3 TYR 10 2HB TYR 10 -2.241 3.534 3.143
56 HD1 TYR 10 2HD TYR 10 -2.417 5.919 4.155
57 HD2 TYR 10 1HD TYR 10 -5.289 2.794 4.922
58 HE1 TYR 10 2HE TYR 10 -3.236 7.151 6.163
59 HE2 TYR 10 1HE TYR 10 -6.067 3.992 6.942
60 HH TYR 10 HH TYR 10 -5.838 5.862 8.265
61 H LYS 11 H LYS 11 -3.043 5.142 -0.318
62 HA LYS 11 HA LYS 11 -2.890 2.531 -1.768
63 HB2 LYS 11 1HB LYS 11 -3.404 5.288 -2.927
64 HB3 LYS 11 2HB LYS 11 -3.360 3.750 -3.801
65 HG2 LYS 11 1HG LYS 11 -5.255 2.965 -2.269
66 HG3 LYS 11 2HG LYS 11 -5.396 4.637 -1.717
67 HD2 LYS 11 1HD LYS 11 -5.793 5.367 -4.057
68 HD3 LYS 11 2HD LYS 11 -5.691 3.676 -4.597
69 HE2 LYS 11 1HE LYS 11 -7.590 3.091 -3.093
70 HE3 LYS 11 2HE LYS 11 -7.698 4.771 -2.571
71 HZ1 LYS 11 3HZ LYS 11 -8.233 5.388 -4.869
72 HZ2 LYS 11 1HZ LYS 11 -9.304 4.284 -4.326
73 HZ3 LYS 11 2HZ LYS 11 -8.126 3.833 -5.361
74 H CYS 12 H CYS 12 -1.250 2.056 -3.156
75 HA CYS 12 HA CYS 12 1.353 3.122 -2.536
76 HB2 CYS 12 1HB CYS 12 1.002 0.787 -3.028
77 HB3 CYS 12 2HB CYS 12 0.400 1.178 -4.647
78 HA PRO 13 HA PRO 13 1.348 6.336 -5.719
79 HB2 PRO 13 1HB PRO 13 3.975 7.088 -5.620
80 HB3 PRO 13 2HB PRO 13 2.808 7.460 -4.316
81 HG2 PRO 13 1HG PRO 13 4.791 5.167 -4.450
82 HG3 PRO 13 2HG PRO 13 4.506 6.306 -3.094
83 HD2 PRO 13 1HD PRO 13 3.357 3.834 -3.205
84 HD3 PRO 13 2HD PRO 13 2.485 5.224 -2.500
85 H GLN 14 H GLN 14 2.921 3.278 -5.956
86 HA GLN 14 HA GLN 14 3.567 3.749 -8.852
87 HB2 GLN 14 1HB GLN 14 5.037 2.013 -6.833
88 HB3 GLN 14 2HB GLN 14 5.337 2.034 -8.578
89 HG2 GLN 14 1HG GLN 14 5.784 4.531 -8.391
90 HG3 GLN 14 2HG GLN 14 5.739 4.342 -6.634
91 HE21 GLN 14 1HE2 GLN 14 7.322 2.585 -5.739
92 HE22 GLN 14 2HE2 GLN 14 8.876 2.507 -6.558
93 H CYS 15 H CYS 15 1.954 1.580 -6.590
94 HA CYS 15 HA CYS 15 1.264 -0.264 -8.854
95 HB2 CYS 15 1HB CYS 15 0.873 -0.849 -5.919
96 HB3 CYS 15 2HB CYS 15 0.902 -1.981 -7.269
97 H SER 16 H SER 16 -0.877 -1.411 -8.497
98 HA SER 16 HA SER 16 -3.130 0.428 -8.063
99 HB2 SER 16 1HB SER 16 -4.480 -1.565 -8.691
100 HB3 SER 16 2HB SER 16 -3.257 -1.137 -9.898
101 HG SER 16 HG SER 16 -3.292 -3.400 -9.450
102 H TYR 17 H TYR 17 -1.148 -1.093 -5.943
103 HA TYR 17 HA TYR 17 -2.780 -2.528 -4.139
104 HB2 TYR 17 1HB TYR 17 -0.377 -2.717 -4.130
105 HB3 TYR 17 2HB TYR 17 -0.185 -1.008 -3.783
106 HD1 TYR 17 1HD TYR 17 -0.653 -0.077 -1.522
107 HD2 TYR 17 2HD TYR 17 -0.956 -4.306 -2.355
108 HE1 TYR 17 1HE TYR 17 -0.731 -0.554 0.912
109 HE2 TYR 17 2HE TYR 17 -0.970 -4.775 0.092
110 HH TYR 17 HH TYR 17 -0.894 -3.883 2.187
111 H ALA 18 H ALA 18 -4.078 -1.999 -2.506
112 HA ALA 18 HA ALA 18 -3.948 0.640 -1.237
113 HB1 ALA 18 1HB ALA 18 -5.695 0.823 -3.022
114 HB2 ALA 18 2HB ALA 18 -6.582 -0.510 -2.251
115 HB3 ALA 18 3HB ALA 18 -6.339 1.024 -1.380
116 H SER 19 H SER 19 -4.575 0.636 0.932
117 HA SER 19 HA SER 19 -5.850 -1.785 2.067
118 HB2 SER 19 1HB SER 19 -3.354 -2.033 2.323
119 HB3 SER 19 2HB SER 19 -3.367 -0.583 3.341
120 HG SER 19 HG SER 19 -4.855 -2.997 3.776
121 H ALA 20 H ALA 20 -6.690 -1.489 4.216
122 HA ALA 20 HA ALA 20 -7.754 1.202 4.779
123 HB1 ALA 20 1HB ALA 20 -9.238 -0.768 4.829
124 HB2 ALA 20 2HB ALA 20 -8.235 -1.495 6.107
125 HB3 ALA 20 3HB ALA 20 -9.131 0.007 6.419
126 H ILE 21 H ILE 21 -4.891 -0.399 5.523
127 HA ILE 21 HA ILE 21 -4.556 1.031 8.136
128 HB ILE 21 HB ILE 21 -3.393 -1.647 7.299
129 HG12 ILE 21 1HG1 ILE 21 -5.587 -1.029 9.330
130 HG13 ILE 21 2HG1 ILE 21 -5.821 -1.816 7.769
131 HG21 ILE 21 1HG2 ILE 21 -1.904 -0.335 8.820
132 HG22 ILE 21 2HG2 ILE 21 -3.242 -0.175 9.976
133 HG23 ILE 21 3HG2 ILE 21 -2.529 -1.760 9.611
134 HD11 ILE 21 3HD1 ILE 21 -4.344 -2.972 10.148
135 HD12 ILE 21 1HD1 ILE 21 -5.846 -3.529 9.404
136 HD13 ILE 21 2HD1 ILE 21 -4.318 -3.685 8.513
137 H LYS 22 H LYS 22 -3.033 2.534 8.143
138 HA LYS 22 HA LYS 22 -1.402 3.193 5.912
139 HB2 LYS 22 1HB LYS 22 -2.249 4.692 7.779
140 HB3 LYS 22 2HB LYS 22 -0.977 4.042 8.812
141 HG2 LYS 22 1HG LYS 22 0.745 4.896 7.250
142 HG3 LYS 22 2HG LYS 22 -0.523 5.464 6.145
143 HD2 LYS 22 1HD LYS 22 -1.394 6.950 7.965
144 HD3 LYS 22 2HD LYS 22 -0.054 6.457 9.001
145 HE2 LYS 22 1HE LYS 22 0.235 7.816 6.276
146 HE3 LYS 22 2HE LYS 22 0.237 8.670 7.820
147 HZ1 LYS 22 3HZ LYS 22 2.219 7.399 8.458
148 HZ2 LYS 22 1HZ LYS 22 2.492 8.244 7.092
149 HZ3 LYS 22 2HZ LYS 22 2.245 6.635 7.007
150 H ALA 23 H ALA 23 -0.556 1.401 8.865
151 HA ALA 23 HA ALA 23 2.231 1.124 8.351
152 HB1 ALA 23 1HB ALA 23 0.330 -0.695 9.878
153 HB2 ALA 23 2HB ALA 23 2.101 -0.664 10.024
154 HB3 ALA 23 3HB ALA 23 1.151 0.746 10.534
155 H ASN 24 H ASN 24 -0.536 -0.721 7.066
156 HA ASN 24 HA ASN 24 1.052 -2.910 6.035
157 HB2 ASN 24 1HB ASN 24 -1.480 -2.803 6.563
158 HB3 ASN 24 2HB ASN 24 -1.655 -1.966 5.020
159 HD21 ASN 24 1HD2 ASN 24 -3.067 -3.791 4.566
160 HD22 ASN 24 2HD2 ASN 24 -2.374 -5.334 4.058
161 H LEU 25 H LEU 25 -0.123 0.197 4.668
162 HA LEU 25 HA LEU 25 1.151 -0.099 2.110
163 HB2 LEU 25 1HB LEU 25 -0.639 1.523 2.467
164 HB3 LEU 25 2HB LEU 25 0.315 2.366 3.691
165 HG LEU 25 HG LEU 25 1.999 2.992 1.981
166 HD11 LEU 25 1HD1 LEU 25 0.065 1.698 0.014
167 HD12 LEU 25 2HD1 LEU 25 1.710 1.131 0.380
168 HD13 LEU 25 3HD1 LEU 25 1.486 2.685 -0.413
169 HD21 LEU 25 3HD2 LEU 25 -0.812 3.741 1.165
170 HD22 LEU 25 1HD2 LEU 25 0.671 4.636 0.797
171 HD23 LEU 25 2HD2 LEU 25 0.119 4.503 2.477
172 H ASN 26 H ASN 26 2.308 1.279 5.237
173 HA ASN 26 HA ASN 26 4.837 2.182 4.353
174 HB2 ASN 26 1HB ASN 26 3.737 2.603 6.550
175 HB3 ASN 26 2HB ASN 26 4.116 0.957 7.040
176 HD21 ASN 26 1HD2 ASN 26 4.927 3.620 8.160
177 HD22 ASN 26 2HD2 ASN 26 6.677 3.516 8.231
178 H VAL 27 H VAL 27 3.996 -1.142 5.546
179 HA VAL 27 HA VAL 27 6.575 -2.279 4.949
180 HB VAL 27 HB VAL 27 3.816 -3.547 5.171
181 HG11 VAL 27 1HG1 VAL 27 5.044 -5.694 5.567
182 HG12 VAL 27 2HG1 VAL 27 5.212 -5.113 3.912
183 HG13 VAL 27 3HG1 VAL 27 6.552 -4.894 5.064
184 HG21 VAL 27 3HG2 VAL 27 4.701 -2.484 7.255
185 HG22 VAL 27 1HG2 VAL 27 4.616 -4.243 7.397
186 HG23 VAL 27 2HG2 VAL 27 6.182 -3.449 7.101
187 H HIS 28 H HIS 28 3.647 -1.926 2.879
188 HA HIS 28 HA HIS 28 4.741 -3.372 0.683
189 HB2 HIS 28 1HB HIS 28 2.367 -2.822 0.859
190 HB3 HIS 28 2HB HIS 28 2.716 -1.101 0.759
191 HD1 HIS 28 1HD HIS 28 2.493 -4.181 -1.496
192 HD2 HIS 28 2HD HIS 28 3.365 -0.075 -1.629
193 HE1 HIS 28 1HE HIS 28 2.621 -3.585 -3.960
194 H LEU 29 H LEU 29 5.004 0.092 1.542
195 HA LEU 29 HA LEU 29 6.607 0.873 -0.745
196 HB2 LEU 29 1HB LEU 29 6.284 2.048 2.014
197 HB3 LEU 29 2HB LEU 29 7.203 2.840 0.742
198 HG LEU 29 HG LEU 29 4.326 2.073 0.286
199 HD11 LEU 29 1HD1 LEU 29 5.546 4.542 1.612
200 HD12 LEU 29 2HD1 LEU 29 4.488 3.357 2.390
201 HD13 LEU 29 3HD1 LEU 29 3.826 4.425 1.125
202 HD21 LEU 29 3HD2 LEU 29 5.469 2.798 -1.730
203 HD22 LEU 29 1HD2 LEU 29 6.115 4.234 -0.900
204 HD23 LEU 29 2HD2 LEU 29 4.375 4.071 -1.199
205 H ARG 30 H ARG 30 7.452 -0.465 2.462
206 HA ARG 30 HA ARG 30 10.188 0.158 2.337
207 HB2 ARG 30 1HB ARG 30 8.655 -2.087 3.699
208 HB3 ARG 30 2HB ARG 30 10.413 -2.023 3.806
209 HG2 ARG 30 1HG ARG 30 10.407 0.101 4.859
210 HG3 ARG 30 2HG ARG 30 8.703 0.375 4.550
211 HD2 ARG 30 1HD ARG 30 8.097 -1.444 6.080
212 HD3 ARG 30 2HD ARG 30 9.788 -1.841 6.341
213 HE ARG 30 HE ARG 30 8.346 0.633 7.210
214 HH11 ARG 30 2HH1 ARG 30 11.337 -1.271 7.480
215 HH12 ARG 30 1HH1 ARG 30 11.851 -0.350 8.869
216 HH21 ARG 30 2HH2 ARG 30 9.100 1.698 8.980
217 HH22 ARG 30 1HH2 ARG 30 10.640 1.287 9.679
218 H LYS 31 H LYS 31 8.424 -2.132 0.462
219 HA LYS 31 HA LYS 31 10.756 -3.598 -0.590
220 HB2 LYS 31 1HB LYS 31 7.893 -3.471 -1.625
221 HB3 LYS 31 2HB LYS 31 9.153 -4.587 -2.146
222 HG2 LYS 31 1HG LYS 31 9.260 -5.558 0.138
223 HG3 LYS 31 2HG LYS 31 7.965 -4.466 0.664
224 HD2 LYS 31 1HD LYS 31 6.430 -5.458 -1.013
225 HD3 LYS 31 2HD LYS 31 7.722 -6.567 -1.530
226 HE2 LYS 31 1HE LYS 31 7.850 -7.467 0.797
227 HE3 LYS 31 2HE LYS 31 6.530 -6.392 1.278
228 HZ1 LYS 31 3HZ LYS 31 6.323 -8.545 -0.765
229 HZ2 LYS 31 1HZ LYS 31 5.098 -7.555 -0.328
230 HZ3 LYS 31 2HZ LYS 31 5.715 -8.619 0.744
231 H HIS 32 H HIS 32 8.958 -0.644 -1.431
232 HA HIS 32 HA HIS 32 10.298 -0.399 -4.045
233 HB2 HIS 32 1HB HIS 32 8.484 1.435 -2.435
234 HB3 HIS 32 2HB HIS 32 9.132 1.824 -4.025
235 HD1 HIS 32 1HD HIS 32 8.559 -0.720 -5.693
236 HD2 HIS 32 2HD HIS 32 5.964 0.947 -2.836
237 HE1 HIS 32 1HE HIS 32 6.240 -1.505 -6.332
238 H THR 33 H THR 33 10.636 1.110 -0.797
239 HA THR 33 HA THR 33 13.279 2.235 -1.490
240 HB THR 33 HB THR 33 11.570 3.778 -2.470
241 HG1 THR 33 1HG THR 33 12.556 5.596 -1.674
242 HG21 THR 33 3HG2 THR 33 10.257 5.244 -1.054
243 HG22 THR 33 1HG2 THR 33 10.839 4.438 0.416
244 HG23 THR 33 2HG2 THR 33 9.793 3.568 -0.728
245 H GLY 34 H GLY 34 14.037 3.710 0.326
246 HA2 GLY 34 1HA GLY 34 14.453 4.299 2.491
247 HA3 GLY 34 2HA GLY 34 12.913 3.571 2.938
248 H GLU 35 H GLU 35 13.337 0.873 2.461
249 HA GLU 35 HA GLU 35 15.108 0.213 4.715
250 HB2 GLU 35 1HB GLU 35 12.766 -0.614 4.491
251 HB3 GLU 35 2HB GLU 35 13.286 -1.628 3.138
252 HG2 GLU 35 1HG GLU 35 14.769 -2.900 4.577
253 HG3 GLU 35 2HG GLU 35 14.557 -1.752 5.903
254 H LYS 36 H LYS 36 16.778 -1.288 4.727
255 HA LYS 36 HA LYS 36 18.018 -2.130 2.158
256 HB2 LYS 36 1HB LYS 36 18.944 0.081 2.863
257 HB3 LYS 36 2HB LYS 36 19.468 -0.644 4.390
258 HG2 LYS 36 1HG LYS 36 20.888 -2.260 3.092
259 HG3 LYS 36 2HG LYS 36 20.402 -1.458 1.595
260 HD2 LYS 36 1HD LYS 36 21.907 -0.157 3.910
261 HD3 LYS 36 2HD LYS 36 22.636 -0.753 2.414
262 HE2 LYS 36 1HE LYS 36 21.265 0.862 1.103
263 HE3 LYS 36 2HE LYS 36 20.571 1.486 2.605
264 HZ1 LYS 36 3HZ LYS 36 22.432 2.852 1.864
265 HZ2 LYS 36 1HZ LYS 36 23.456 1.583 1.898
266 HZ3 LYS 36 2HZ LYS 36 22.813 2.154 3.288
Start of MODEL 16
1 H1 GLY 1 1H GLY 1 -11.792 7.110 -10.579
2 H2 GLY 1 2H GLY 1 -11.016 5.670 -10.508
3 H3 GLY 1 3H GLY 1 -12.237 5.995 -9.465
4 HA2 GLY 1 1HA GLY 1 -12.525 5.701 -12.384
5 HA3 GLY 1 2HA GLY 1 -12.985 4.479 -11.184
6 H SER 2 H SER 2 -14.457 6.343 -13.225
7 HA SER 2 HA SER 2 -16.183 8.070 -11.748
8 HB2 SER 2 1HB SER 2 -16.652 6.739 -14.442
9 HB3 SER 2 2HB SER 2 -17.513 8.152 -13.800
10 HG SER 2 HG SER 2 -15.797 8.746 -15.215
11 H SER 3 H SER 3 -18.404 7.915 -11.292
12 HA SER 3 HA SER 3 -20.231 7.013 -10.321
13 HB2 SER 3 1HB SER 3 -20.008 4.998 -12.571
14 HB3 SER 3 2HB SER 3 -21.472 5.416 -11.662
15 HG SER 3 HG SER 3 -21.330 6.562 -13.647
16 H GLY 4 H GLY 4 -17.906 6.138 -8.961
17 HA2 GLY 4 1HA GLY 4 -19.043 3.932 -7.419
18 HA3 GLY 4 2HA GLY 4 -17.562 3.506 -8.277
19 H SER 5 H SER 5 -17.582 3.261 -5.619
20 HA SER 5 HA SER 5 -16.767 5.579 -4.121
21 HB2 SER 5 1HB SER 5 -16.467 2.626 -3.457
22 HB3 SER 5 2HB SER 5 -16.336 3.980 -2.316
23 HG SER 5 HG SER 5 -18.430 3.022 -2.297
24 H SER 6 H SER 6 -14.754 5.881 -2.974
25 HA SER 6 HA SER 6 -12.403 5.611 -4.653
26 HB2 SER 6 1HB SER 6 -11.325 6.922 -2.839
27 HB3 SER 6 2HB SER 6 -12.810 7.657 -3.462
28 HG SER 6 HG SER 6 -12.741 7.671 -1.163
29 H GLY 7 H GLY 7 -13.714 3.481 -2.374
30 HA2 GLY 7 1HA GLY 7 -12.974 1.416 -1.646
31 HA3 GLY 7 2HA GLY 7 -11.515 1.646 -2.603
32 H LYS 8 H LYS 8 -10.288 0.662 -0.978
33 HA LYS 8 HA LYS 8 -9.926 1.559 1.728
34 HB2 LYS 8 1HB LYS 8 -8.160 0.098 -0.266
35 HB3 LYS 8 2HB LYS 8 -7.617 0.488 1.364
36 HG2 LYS 8 1HG LYS 8 -9.456 -0.765 2.361
37 HG3 LYS 8 2HG LYS 8 -10.145 -1.087 0.763
38 HD2 LYS 8 1HD LYS 8 -8.114 -2.393 0.143
39 HD3 LYS 8 2HD LYS 8 -7.407 -2.025 1.717
40 HE2 LYS 8 1HE LYS 8 -8.265 -4.243 1.850
41 HE3 LYS 8 2HE LYS 8 -9.298 -3.212 2.842
42 HZ1 LYS 8 3HZ LYS 8 -10.586 -4.743 1.449
43 HZ2 LYS 8 1HZ LYS 8 -9.944 -4.127 0.083
44 HZ3 LYS 8 2HZ LYS 8 -10.923 -3.208 1.020
45 HA PRO 9 HA PRO 9 -8.338 5.505 0.832
46 HB2 PRO 9 1HB PRO 9 -7.310 6.341 3.222
47 HB3 PRO 9 2HB PRO 9 -9.050 6.069 2.927
48 HG2 PRO 9 1HG PRO 9 -7.069 4.213 4.231
49 HG3 PRO 9 2HG PRO 9 -8.707 4.619 4.791
50 HD2 PRO 9 1HD PRO 9 -8.107 2.332 3.363
51 HD3 PRO 9 2HD PRO 9 -9.669 3.160 3.256
52 H TYR 10 H TYR 10 -5.854 3.414 2.415
53 HA TYR 10 HA TYR 10 -3.743 5.246 1.595
54 HB2 TYR 10 1HB TYR 10 -3.547 2.573 2.987
55 HB3 TYR 10 2HB TYR 10 -2.283 3.780 2.831
56 HD1 TYR 10 2HD TYR 10 -2.545 6.026 4.009
57 HD2 TYR 10 1HD TYR 10 -5.226 2.718 4.706
58 HE1 TYR 10 2HE TYR 10 -3.341 7.101 6.109
59 HE2 TYR 10 1HE TYR 10 -5.976 3.754 6.814
60 HH TYR 10 HH TYR 10 -4.727 6.934 7.934
61 H LYS 11 H LYS 11 -3.622 5.214 -0.616
62 HA LYS 11 HA LYS 11 -3.170 2.701 -2.127
63 HB2 LYS 11 1HB LYS 11 -3.821 5.543 -2.897
64 HB3 LYS 11 2HB LYS 11 -2.875 4.576 -4.010
65 HG2 LYS 11 1HG LYS 11 -5.050 4.302 -4.749
66 HG3 LYS 11 2HG LYS 11 -4.587 2.793 -3.988
67 HD2 LYS 11 1HD LYS 11 -6.848 3.234 -3.403
68 HD3 LYS 11 2HD LYS 11 -5.904 3.517 -1.932
69 HE2 LYS 11 1HE LYS 11 -6.058 5.903 -2.190
70 HE3 LYS 11 2HE LYS 11 -6.658 5.765 -3.850
71 HZ1 LYS 11 3HZ LYS 11 -8.157 4.711 -1.525
72 HZ2 LYS 11 1HZ LYS 11 -8.728 4.880 -3.030
73 HZ3 LYS 11 2HZ LYS 11 -8.415 6.219 -2.140
74 H CYS 12 H CYS 12 -1.387 2.156 -3.216
75 HA CYS 12 HA CYS 12 1.205 3.135 -2.414
76 HB2 CYS 12 1HB CYS 12 0.854 0.813 -2.968
77 HB3 CYS 12 2HB CYS 12 0.316 1.240 -4.597
78 HA PRO 13 HA PRO 13 1.427 6.385 -5.555
79 HB2 PRO 13 1HB PRO 13 4.049 7.103 -5.324
80 HB3 PRO 13 2HB PRO 13 2.831 7.465 -4.065
81 HG2 PRO 13 1HG PRO 13 4.789 5.146 -4.147
82 HG3 PRO 13 2HG PRO 13 4.457 6.267 -2.787
83 HD2 PRO 13 1HD PRO 13 3.278 3.812 -2.991
84 HD3 PRO 13 2HD PRO 13 2.396 5.203 -2.301
85 H GLN 14 H GLN 14 2.963 3.305 -5.764
86 HA GLN 14 HA GLN 14 3.754 3.810 -8.618
87 HB2 GLN 14 1HB GLN 14 5.013 1.894 -6.625
88 HB3 GLN 14 2HB GLN 14 5.418 2.030 -8.342
89 HG2 GLN 14 1HG GLN 14 6.038 4.450 -7.940
90 HG3 GLN 14 2HG GLN 14 5.788 4.181 -6.215
91 HE21 GLN 14 1HE2 GLN 14 8.135 4.961 -6.205
92 HE22 GLN 14 2HE2 GLN 14 9.365 3.726 -6.437
93 H CYS 15 H CYS 15 1.941 1.671 -6.481
94 HA CYS 15 HA CYS 15 1.261 -0.097 -8.809
95 HB2 CYS 15 1HB CYS 15 0.801 -0.749 -5.898
96 HB3 CYS 15 2HB CYS 15 0.833 -1.849 -7.274
97 H SER 16 H SER 16 -0.892 -1.178 -8.615
98 HA SER 16 HA SER 16 -3.130 0.638 -8.048
99 HB2 SER 16 1HB SER 16 -3.137 -2.298 -8.840
100 HB3 SER 16 2HB SER 16 -4.533 -1.204 -8.828
101 HG SER 16 HG SER 16 -3.606 -1.417 -10.924
102 H TYR 17 H TYR 17 -1.180 -1.000 -5.999
103 HA TYR 17 HA TYR 17 -2.861 -2.480 -4.244
104 HB2 TYR 17 1HB TYR 17 -0.436 -2.702 -4.274
105 HB3 TYR 17 2HB TYR 17 -0.235 -1.026 -3.804
106 HD1 TYR 17 2HD TYR 17 -1.115 -4.407 -2.639
107 HD2 TYR 17 1HD TYR 17 -0.611 -0.277 -1.462
108 HE1 TYR 17 2HE TYR 17 -1.033 -5.083 -0.239
109 HE2 TYR 17 1HE TYR 17 -0.586 -0.953 0.918
110 HH TYR 17 HH TYR 17 -0.465 -2.727 2.381
111 H ALA 18 H ALA 18 -4.087 -1.934 -2.530
112 HA ALA 18 HA ALA 18 -3.812 0.698 -1.281
113 HB1 ALA 18 1HB ALA 18 -5.621 0.990 -2.958
114 HB2 ALA 18 2HB ALA 18 -6.520 -0.345 -2.209
115 HB3 ALA 18 3HB ALA 18 -6.211 1.150 -1.291
116 H SER 19 H SER 19 -4.114 0.659 0.907
117 HA SER 19 HA SER 19 -5.094 -1.860 2.182
118 HB2 SER 19 1HB SER 19 -3.378 -1.686 3.839
119 HB3 SER 19 2HB SER 19 -2.639 -1.647 2.246
120 HG SER 19 HG SER 19 -2.495 0.191 4.218
121 H ALA 20 H ALA 20 -6.038 -1.662 4.274
122 HA ALA 20 HA ALA 20 -7.557 0.841 4.676
123 HB1 ALA 20 1HB ALA 20 -8.712 -1.334 4.629
124 HB2 ALA 20 2HB ALA 20 -7.749 -1.880 6.024
125 HB3 ALA 20 3HB ALA 20 -8.892 -0.531 6.198
126 H ILE 21 H ILE 21 -4.591 -0.201 5.678
127 HA ILE 21 HA ILE 21 -4.589 1.410 8.188
128 HB ILE 21 HB ILE 21 -3.359 -1.345 7.762
129 HG12 ILE 21 1HG1 ILE 21 -5.515 -0.471 9.735
130 HG13 ILE 21 2HG1 ILE 21 -5.797 -1.404 8.264
131 HG21 ILE 21 1HG2 ILE 21 -2.520 -1.150 10.093
132 HG22 ILE 21 2HG2 ILE 21 -1.828 0.072 9.065
133 HG23 ILE 21 3HG2 ILE 21 -3.146 0.509 10.179
134 HD11 ILE 21 3HD1 ILE 21 -5.799 -2.960 10.042
135 HD12 ILE 21 1HD1 ILE 21 -4.281 -3.203 9.152
136 HD13 ILE 21 2HD1 ILE 21 -4.284 -2.345 10.713
137 H LYS 22 H LYS 22 -2.977 2.893 8.163
138 HA LYS 22 HA LYS 22 -1.353 3.358 5.896
139 HB2 LYS 22 1HB LYS 22 -2.095 4.996 7.697
140 HB3 LYS 22 2HB LYS 22 -0.813 4.359 8.727
141 HG2 LYS 22 1HG LYS 22 0.883 5.042 7.043
142 HG3 LYS 22 2HG LYS 22 -0.409 5.606 5.965
143 HD2 LYS 22 1HD LYS 22 -1.096 7.279 7.669
144 HD3 LYS 22 2HD LYS 22 0.199 6.710 8.745
145 HE2 LYS 22 1HE LYS 22 1.888 7.310 7.018
146 HE3 LYS 22 2HE LYS 22 0.598 7.880 5.952
147 HZ1 LYS 22 3HZ LYS 22 0.047 9.565 7.632
148 HZ2 LYS 22 1HZ LYS 22 1.607 9.717 7.181
149 HZ3 LYS 22 2HZ LYS 22 1.240 9.036 8.617
150 H ALA 23 H ALA 23 -0.514 1.645 8.897
151 HA ALA 23 HA ALA 23 2.248 1.259 8.279
152 HB1 ALA 23 1HB ALA 23 0.407 -0.370 10.062
153 HB2 ALA 23 2HB ALA 23 2.186 -0.381 10.078
154 HB3 ALA 23 3HB ALA 23 1.315 1.094 10.531
155 H ASN 24 H ASN 24 -0.615 -0.493 7.104
156 HA ASN 24 HA ASN 24 0.955 -2.766 6.083
157 HB2 ASN 24 1HB ASN 24 -1.922 -1.863 5.874
158 HB3 ASN 24 2HB ASN 24 -1.276 -2.968 4.674
159 HD21 ASN 24 1HD2 ASN 24 -1.251 -2.648 8.291
160 HD22 ASN 24 2HD2 ASN 24 -1.503 -4.368 8.528
161 H LEU 25 H LEU 25 -0.128 0.410 4.804
162 HA LEU 25 HA LEU 25 1.067 -0.007 2.208
163 HB2 LEU 25 1HB LEU 25 -0.656 1.691 2.543
164 HB3 LEU 25 2HB LEU 25 0.349 2.539 3.720
165 HG LEU 25 HG LEU 25 2.015 3.043 1.960
166 HD11 LEU 25 1HD1 LEU 25 0.031 1.676 0.095
167 HD12 LEU 25 2HD1 LEU 25 1.677 1.115 0.462
168 HD13 LEU 25 3HD1 LEU 25 1.459 2.624 -0.405
169 HD21 LEU 25 3HD2 LEU 25 0.134 4.607 2.391
170 HD22 LEU 25 1HD2 LEU 25 -0.777 3.816 1.080
171 HD23 LEU 25 2HD2 LEU 25 0.734 4.670 0.725
172 H ASN 26 H ASN 26 2.277 1.369 5.303
173 HA ASN 26 HA ASN 26 4.851 2.143 4.459
174 HB2 ASN 26 1HB ASN 26 3.732 2.559 6.669
175 HB3 ASN 26 2HB ASN 26 4.093 0.894 7.124
176 HD21 ASN 26 1HD2 ASN 26 5.057 3.824 7.885
177 HD22 ASN 26 2HD2 ASN 26 6.774 3.526 8.104
178 H VAL 27 H VAL 27 3.862 -1.142 5.646
179 HA VAL 27 HA VAL 27 6.378 -2.405 5.107
180 HB VAL 27 HB VAL 27 3.561 -3.515 5.252
181 HG11 VAL 27 1HG1 VAL 27 6.192 -5.051 5.109
182 HG12 VAL 27 2HG1 VAL 27 4.627 -5.750 5.584
183 HG13 VAL 27 3HG1 VAL 27 4.848 -5.136 3.946
184 HG21 VAL 27 3HG2 VAL 27 5.922 -3.641 7.187
185 HG22 VAL 27 1HG2 VAL 27 4.528 -2.560 7.360
186 HG23 VAL 27 2HG2 VAL 27 4.296 -4.309 7.463
187 H HIS 28 H HIS 28 3.530 -1.919 2.963
188 HA HIS 28 HA HIS 28 4.606 -3.391 0.776
189 HB2 HIS 28 1HB HIS 28 2.245 -2.746 0.954
190 HB3 HIS 28 2HB HIS 28 2.667 -1.046 0.829
191 HD1 HIS 28 1HD HIS 28 2.398 -4.165 -1.387
192 HD2 HIS 28 2HD HIS 28 3.272 -0.059 -1.574
193 HE1 HIS 28 1HE HIS 28 2.520 -3.597 -3.860
194 H LEU 29 H LEU 29 4.985 0.061 1.664
195 HA LEU 29 HA LEU 29 6.574 0.818 -0.625
196 HB2 LEU 29 1HB LEU 29 6.343 1.968 2.159
197 HB3 LEU 29 2HB LEU 29 7.264 2.741 0.874
198 HG LEU 29 HG LEU 29 4.356 2.068 0.482
199 HD11 LEU 29 1HD1 LEU 29 3.977 4.454 1.289
200 HD12 LEU 29 2HD1 LEU 29 5.714 4.500 1.733
201 HD13 LEU 29 3HD1 LEU 29 4.622 3.373 2.550
202 HD21 LEU 29 3HD2 LEU 29 6.197 4.127 -0.798
203 HD22 LEU 29 1HD2 LEU 29 4.442 4.032 -1.044
204 HD23 LEU 29 2HD2 LEU 29 5.463 2.704 -1.580
205 H ARG 30 H ARG 30 7.483 -0.636 2.494
206 HA ARG 30 HA ARG 30 10.225 -0.022 2.353
207 HB2 ARG 30 1HB ARG 30 8.825 -2.487 3.483
208 HB3 ARG 30 2HB ARG 30 10.559 -2.237 3.668
209 HG2 ARG 30 1HG ARG 30 10.268 -0.245 4.971
210 HG3 ARG 30 2HG ARG 30 8.550 -0.179 4.613
211 HD2 ARG 30 1HD ARG 30 8.436 -2.547 5.736
212 HD3 ARG 30 2HD ARG 30 10.030 -2.129 6.390
213 HE ARG 30 HE ARG 30 8.021 -0.038 6.787
214 HH11 ARG 30 2HH1 ARG 30 9.117 -3.047 8.239
215 HH12 ARG 30 1HH1 ARG 30 8.422 -2.635 9.783
216 HH21 ARG 30 2HH2 ARG 30 7.215 0.411 8.693
217 HH22 ARG 30 1HH2 ARG 30 7.362 -0.689 10.051
218 H LYS 31 H LYS 31 8.430 -2.109 0.323
219 HA LYS 31 HA LYS 31 10.731 -3.537 -0.853
220 HB2 LYS 31 1HB LYS 31 7.802 -3.450 -1.685
221 HB3 LYS 31 2HB LYS 31 9.041 -4.517 -2.346
222 HG2 LYS 31 1HG LYS 31 9.347 -5.594 -0.153
223 HG3 LYS 31 2HG LYS 31 8.143 -4.518 0.578
224 HD2 LYS 31 1HD LYS 31 6.385 -5.414 -0.877
225 HD3 LYS 31 2HD LYS 31 7.570 -6.474 -1.682
226 HE2 LYS 31 1HE LYS 31 8.056 -7.555 0.518
227 HE3 LYS 31 2HE LYS 31 6.839 -6.526 1.284
228 HZ1 LYS 31 3HZ LYS 31 5.161 -7.563 -0.160
229 HZ2 LYS 31 1HZ LYS 31 5.929 -8.707 0.712
230 HZ3 LYS 31 2HZ LYS 31 6.291 -8.510 -0.864
231 H HIS 32 H HIS 32 8.934 -0.554 -1.468
232 HA HIS 32 HA HIS 32 10.184 -0.182 -4.126
233 HB2 HIS 32 1HB HIS 32 8.387 1.572 -2.410
234 HB3 HIS 32 2HB HIS 32 8.997 2.013 -4.005
235 HD1 HIS 32 1HD HIS 32 8.373 -0.215 -5.883
236 HD2 HIS 32 2HD HIS 32 5.907 0.800 -2.637
237 HE1 HIS 32 1HE HIS 32 6.100 -1.183 -6.422
238 H THR 33 H THR 33 10.641 0.975 -0.780
239 HA THR 33 HA THR 33 12.805 2.826 -1.582
240 HB THR 33 HB THR 33 12.779 3.551 0.732
241 HG1 THR 33 1HG THR 33 11.301 2.675 2.173
242 HG21 THR 33 3HG2 THR 33 9.913 3.320 -0.275
243 HG22 THR 33 1HG2 THR 33 11.098 4.521 -0.834
244 HG23 THR 33 2HG2 THR 33 10.565 4.523 0.855
245 H GLY 34 H GLY 34 14.764 2.887 -0.038
246 HA2 GLY 34 1HA GLY 34 16.583 1.910 1.004
247 HA3 GLY 34 2HA GLY 34 15.639 0.441 1.210
248 H GLU 35 H GLU 35 17.180 -1.026 0.647
249 HA GLU 35 HA GLU 35 19.014 -0.723 -1.541
250 HB2 GLU 35 1HB GLU 35 19.783 -2.940 -0.975
251 HB3 GLU 35 2HB GLU 35 19.573 -1.961 0.474
252 HG2 GLU 35 1HG GLU 35 17.385 -3.108 0.909
253 HG3 GLU 35 2HG GLU 35 17.646 -4.112 -0.520
254 H LYS 36 H LYS 36 19.337 -2.133 -3.337
255 HA LYS 36 HA LYS 36 16.953 -3.394 -4.579
256 HB2 LYS 36 1HB LYS 36 17.006 -0.994 -5.252
257 HB3 LYS 36 2HB LYS 36 18.638 -1.225 -5.894
258 HG2 LYS 36 1HG LYS 36 17.760 -2.865 -7.544
259 HG3 LYS 36 2HG LYS 36 16.147 -2.725 -6.832
260 HD2 LYS 36 1HD LYS 36 16.235 -1.424 -8.864
261 HD3 LYS 36 2HD LYS 36 16.067 -0.327 -7.486
262 HE2 LYS 36 1HE LYS 36 18.507 0.149 -7.566
263 HE3 LYS 36 2HE LYS 36 18.690 -0.987 -8.909
264 HZ1 LYS 36 3HZ LYS 36 17.062 1.500 -8.991
265 HZ2 LYS 36 1HZ LYS 36 17.235 0.453 -10.234
266 HZ3 LYS 36 2HZ LYS 36 18.520 1.302 -9.697
Start of MODEL 17
1 H1 GLY 1 1H GLY 1 -16.654 -6.044 -12.816
2 H2 GLY 1 2H GLY 1 -16.833 -7.672 -12.893
3 H3 GLY 1 3H GLY 1 -15.337 -7.016 -12.755
4 HA2 GLY 1 1HA GLY 1 -17.456 -6.879 -10.711
5 HA3 GLY 1 2HA GLY 1 -16.042 -7.947 -10.646
6 H SER 2 H SER 2 -16.699 -6.064 -8.635
7 HA SER 2 HA SER 2 -15.273 -3.599 -8.844
8 HB2 SER 2 1HB SER 2 -16.032 -5.170 -6.354
9 HB3 SER 2 2HB SER 2 -15.577 -3.456 -6.419
10 HG SER 2 HG SER 2 -17.862 -3.757 -6.419
11 H SER 3 H SER 3 -13.319 -2.900 -7.963
12 HA SER 3 HA SER 3 -11.108 -4.768 -8.057
13 HB2 SER 3 1HB SER 3 -10.864 -2.485 -8.849
14 HB3 SER 3 2HB SER 3 -11.231 -1.846 -7.233
15 HG SER 3 HG SER 3 -8.927 -2.070 -7.848
16 H GLY 4 H GLY 4 -9.818 -5.576 -6.455
17 HA2 GLY 4 1HA GLY 4 -10.738 -5.851 -3.731
18 HA3 GLY 4 2HA GLY 4 -9.145 -6.284 -4.366
19 H SER 5 H SER 5 -8.970 -3.312 -5.323
20 HA SER 5 HA SER 5 -7.919 -2.145 -2.817
21 HB2 SER 5 1HB SER 5 -7.758 -1.256 -5.714
22 HB3 SER 5 2HB SER 5 -7.026 -0.394 -4.355
23 HG SER 5 HG SER 5 -5.545 -1.790 -5.339
24 H SER 6 H SER 6 -10.975 -2.193 -4.119
25 HA SER 6 HA SER 6 -11.710 0.601 -3.925
26 HB2 SER 6 1HB SER 6 -12.934 -1.122 -5.264
27 HB3 SER 6 2HB SER 6 -13.520 -1.830 -3.743
28 HG SER 6 HG SER 6 -14.991 -0.289 -4.661
29 H GLY 7 H GLY 7 -12.924 1.647 -2.319
30 HA2 GLY 7 1HA GLY 7 -13.606 2.240 -0.210
31 HA3 GLY 7 2HA GLY 7 -13.681 0.524 0.194
32 H LYS 8 H LYS 8 -10.552 1.503 -0.789
33 HA LYS 8 HA LYS 8 -9.554 1.547 2.040
34 HB2 LYS 8 1HB LYS 8 -8.489 0.272 -0.493
35 HB3 LYS 8 2HB LYS 8 -7.493 0.493 0.934
36 HG2 LYS 8 1HG LYS 8 -8.826 -0.947 2.275
37 HG3 LYS 8 2HG LYS 8 -10.174 -0.913 1.137
38 HD2 LYS 8 1HD LYS 8 -8.808 -2.119 -0.545
39 HD3 LYS 8 2HD LYS 8 -7.464 -2.203 0.613
40 HE2 LYS 8 1HE LYS 8 -8.914 -3.478 2.186
41 HE3 LYS 8 2HE LYS 8 -10.254 -3.361 1.035
42 HZ1 LYS 8 3HZ LYS 8 -9.123 -5.483 0.798
43 HZ2 LYS 8 1HZ LYS 8 -7.683 -4.760 0.516
44 HZ3 LYS 8 2HZ LYS 8 -8.902 -4.607 -0.568
45 HA PRO 9 HA PRO 9 -8.112 5.516 0.551
46 HB2 PRO 9 1HB PRO 9 -7.217 6.635 2.877
47 HB3 PRO 9 2HB PRO 9 -8.951 6.319 2.571
48 HG2 PRO 9 1HG PRO 9 -6.978 4.626 4.111
49 HG3 PRO 9 2HG PRO 9 -8.610 5.113 4.623
50 HD2 PRO 9 1HD PRO 9 -8.090 2.669 3.479
51 HD3 PRO 9 2HD PRO 9 -9.620 3.536 3.215
52 H TYR 10 H TYR 10 -5.829 3.461 2.419
53 HA TYR 10 HA TYR 10 -3.594 5.171 1.706
54 HB2 TYR 10 1HB TYR 10 -3.633 2.468 3.062
55 HB3 TYR 10 2HB TYR 10 -2.257 3.557 2.929
56 HD1 TYR 10 2HD TYR 10 -2.324 5.820 4.086
57 HD2 TYR 10 1HD TYR 10 -5.300 2.772 4.759
58 HE1 TYR 10 2HE TYR 10 -3.075 6.993 6.154
59 HE2 TYR 10 1HE TYR 10 -6.032 3.921 6.814
60 HH TYR 10 HH TYR 10 -5.720 5.725 8.215
61 H LYS 11 H LYS 11 -3.451 5.183 -0.496
62 HA LYS 11 HA LYS 11 -3.099 2.724 -2.105
63 HB2 LYS 11 1HB LYS 11 -3.342 5.673 -2.812
64 HB3 LYS 11 2HB LYS 11 -2.771 4.487 -3.968
65 HG2 LYS 11 1HG LYS 11 -4.987 4.753 -4.487
66 HG3 LYS 11 2HG LYS 11 -4.900 3.189 -3.682
67 HD2 LYS 11 1HD LYS 11 -5.906 4.116 -1.661
68 HD3 LYS 11 2HD LYS 11 -5.744 5.775 -2.300
69 HE2 LYS 11 1HE LYS 11 -7.228 5.115 -4.223
70 HE3 LYS 11 2HE LYS 11 -7.489 3.548 -3.431
71 HZ1 LYS 11 3HZ LYS 11 -8.181 6.152 -2.193
72 HZ2 LYS 11 1HZ LYS 11 -8.514 4.639 -1.612
73 HZ3 LYS 11 2HZ LYS 11 -9.251 5.183 -2.964
74 H CYS 12 H CYS 12 -1.335 2.148 -3.228
75 HA CYS 12 HA CYS 12 1.301 3.062 -2.431
76 HB2 CYS 12 1HB CYS 12 0.877 0.751 -2.973
77 HB3 CYS 12 2HB CYS 12 0.398 1.206 -4.616
78 HA PRO 13 HA PRO 13 1.655 6.344 -5.581
79 HB2 PRO 13 1HB PRO 13 4.599 5.898 -5.199
80 HB3 PRO 13 2HB PRO 13 3.666 7.418 -5.090
81 HG2 PRO 13 1HG PRO 13 4.602 6.152 -2.860
82 HG3 PRO 13 2HG PRO 13 2.987 6.935 -2.873
83 HD2 PRO 13 1HD PRO 13 3.625 3.982 -3.250
84 HD3 PRO 13 2HD PRO 13 2.382 4.781 -2.235
85 H GLN 14 H GLN 14 3.181 3.174 -5.695
86 HA GLN 14 HA GLN 14 4.075 3.550 -8.521
87 HB2 GLN 14 1HB GLN 14 4.870 1.327 -6.635
88 HB3 GLN 14 2HB GLN 14 5.647 1.799 -8.134
89 HG2 GLN 14 1HG GLN 14 5.638 3.359 -5.510
90 HG3 GLN 14 2HG GLN 14 6.970 2.434 -6.172
91 HE21 GLN 14 1HE2 GLN 14 7.392 5.068 -5.453
92 HE22 GLN 14 2HE2 GLN 14 7.601 6.030 -6.912
93 H CYS 15 H CYS 15 2.001 1.549 -6.501
94 HA CYS 15 HA CYS 15 1.325 -0.226 -8.818
95 HB2 CYS 15 1HB CYS 15 0.800 -0.800 -5.897
96 HB3 CYS 15 2HB CYS 15 0.829 -1.935 -7.244
97 H SER 16 H SER 16 -0.878 -1.292 -8.538
98 HA SER 16 HA SER 16 -3.071 0.630 -8.149
99 HB2 SER 16 1HB SER 16 -4.477 -1.314 -8.822
100 HB3 SER 16 2HB SER 16 -3.219 -0.909 -10.001
101 HG SER 16 HG SER 16 -3.330 -3.174 -9.586
102 H TYR 17 H TYR 17 -1.200 -1.015 -6.008
103 HA TYR 17 HA TYR 17 -2.946 -2.398 -4.267
104 HB2 TYR 17 1HB TYR 17 -0.531 -2.702 -4.264
105 HB3 TYR 17 2HB TYR 17 -0.281 -1.030 -3.803
106 HD1 TYR 17 2HD TYR 17 -1.287 -4.372 -2.618
107 HD2 TYR 17 1HD TYR 17 -0.643 -0.254 -1.479
108 HE1 TYR 17 2HE TYR 17 -1.288 -5.027 -0.217
109 HE2 TYR 17 1HE TYR 17 -0.670 -0.914 0.913
110 HH TYR 17 HH TYR 17 -1.090 -4.320 1.944
111 H ALA 18 H ALA 18 -4.165 -1.848 -2.560
112 HA ALA 18 HA ALA 18 -3.782 0.717 -1.228
113 HB1 ALA 18 1HB ALA 18 -6.125 1.329 -1.211
114 HB2 ALA 18 2HB ALA 18 -5.621 1.111 -2.897
115 HB3 ALA 18 3HB ALA 18 -6.563 -0.155 -2.081
116 H SER 19 H SER 19 -4.507 0.731 0.962
117 HA SER 19 HA SER 19 -5.687 -1.761 2.064
118 HB2 SER 19 1HB SER 19 -3.133 -1.809 2.281
119 HB3 SER 19 2HB SER 19 -3.314 -0.484 3.446
120 HG SER 19 HG SER 19 -4.386 -3.128 3.537
121 H ALA 20 H ALA 20 -6.415 -1.520 4.298
122 HA ALA 20 HA ALA 20 -7.780 1.063 4.758
123 HB1 ALA 20 1HB ALA 20 -9.079 -0.230 6.387
124 HB2 ALA 20 2HB ALA 20 -9.056 -1.048 4.815
125 HB3 ALA 20 3HB ALA 20 -8.025 -1.638 6.141
126 H ILE 21 H ILE 21 -4.814 -0.218 5.634
127 HA ILE 21 HA ILE 21 -4.646 1.370 8.166
128 HB ILE 21 HB ILE 21 -3.557 -1.411 7.608
129 HG12 ILE 21 1HG1 ILE 21 -5.649 -0.469 9.623
130 HG13 ILE 21 2HG1 ILE 21 -5.972 -1.397 8.157
131 HG21 ILE 21 1HG2 ILE 21 -3.190 0.321 10.092
132 HG22 ILE 21 2HG2 ILE 21 -2.650 -1.365 9.906
133 HG23 ILE 21 3HG2 ILE 21 -1.930 -0.130 8.915
134 HD11 ILE 21 3HD1 ILE 21 -4.549 -3.262 9.067
135 HD12 ILE 21 1HD1 ILE 21 -4.508 -2.385 10.617
136 HD13 ILE 21 2HD1 ILE 21 -6.052 -2.932 9.953
137 H LYS 22 H LYS 22 -2.955 2.738 8.259
138 HA LYS 22 HA LYS 22 -1.318 3.270 5.989
139 HB2 LYS 22 1HB LYS 22 -2.040 4.863 7.826
140 HB3 LYS 22 2HB LYS 22 -0.810 4.146 8.865
141 HG2 LYS 22 1HG LYS 22 0.955 4.833 7.258
142 HG3 LYS 22 2HG LYS 22 -0.284 5.478 6.163
143 HD2 LYS 22 1HD LYS 22 -0.971 7.109 7.908
144 HD3 LYS 22 2HD LYS 22 0.269 6.459 9.002
145 HE2 LYS 22 1HE LYS 22 2.031 7.067 7.354
146 HE3 LYS 22 2HE LYS 22 0.796 7.719 6.270
147 HZ1 LYS 22 3HZ LYS 22 1.386 8.752 8.996
148 HZ2 LYS 22 1HZ LYS 22 0.243 9.355 7.994
149 HZ3 LYS 22 2HZ LYS 22 1.821 9.475 7.600
150 H ALA 23 H ALA 23 -0.571 1.429 8.936
151 HA ALA 23 HA ALA 23 2.192 0.993 8.467
152 HB1 ALA 23 1HB ALA 23 1.932 -0.837 10.073
153 HB2 ALA 23 2HB ALA 23 1.016 0.586 10.608
154 HB3 ALA 23 3HB ALA 23 0.171 -0.800 9.871
155 H ASN 24 H ASN 24 -0.642 -0.784 7.168
156 HA ASN 24 HA ASN 24 0.851 -2.954 5.985
157 HB2 ASN 24 1HB ASN 24 -1.851 -1.701 5.315
158 HB3 ASN 24 2HB ASN 24 -1.217 -3.127 4.526
159 HD21 ASN 24 1HD2 ASN 24 -3.594 -3.357 5.619
160 HD22 ASN 24 2HD2 ASN 24 -3.503 -4.373 7.063
161 H LEU 25 H LEU 25 -0.206 0.248 4.711
162 HA LEU 25 HA LEU 25 1.078 -0.060 2.167
163 HB2 LEU 25 1HB LEU 25 -0.682 1.595 2.524
164 HB3 LEU 25 2HB LEU 25 0.299 2.430 3.736
165 HG LEU 25 HG LEU 25 1.991 2.985 2.003
166 HD11 LEU 25 1HD1 LEU 25 0.008 1.714 0.064
167 HD12 LEU 25 2HD1 LEU 25 1.643 1.116 0.426
168 HD13 LEU 25 3HD1 LEU 25 1.451 2.664 -0.376
169 HD21 LEU 25 3HD2 LEU 25 0.745 4.673 0.842
170 HD22 LEU 25 1HD2 LEU 25 0.130 4.544 2.499
171 HD23 LEU 25 2HD2 LEU 25 -0.781 3.828 1.146
172 H ASN 26 H ASN 26 2.272 1.261 5.310
173 HA ASN 26 HA ASN 26 4.797 2.120 4.362
174 HB2 ASN 26 1HB ASN 26 3.868 2.670 6.583
175 HB3 ASN 26 2HB ASN 26 4.083 0.996 7.096
176 HD21 ASN 26 1HD2 ASN 26 6.054 0.458 8.030
177 HD22 ASN 26 2HD2 ASN 26 7.463 1.504 7.950
178 H VAL 27 H VAL 27 3.922 -1.176 5.597
179 HA VAL 27 HA VAL 27 6.514 -2.327 5.054
180 HB VAL 27 HB VAL 27 3.739 -3.577 5.249
181 HG11 VAL 27 1HG1 VAL 27 5.129 -5.154 3.990
182 HG12 VAL 27 2HG1 VAL 27 6.454 -4.965 5.162
183 HG13 VAL 27 3HG1 VAL 27 4.925 -5.739 5.640
184 HG21 VAL 27 3HG2 VAL 27 4.603 -2.527 7.335
185 HG22 VAL 27 1HG2 VAL 27 4.506 -4.283 7.475
186 HG23 VAL 27 2HG2 VAL 27 6.082 -3.502 7.200
187 H HIS 28 H HIS 28 3.606 -1.948 2.976
188 HA HIS 28 HA HIS 28 4.686 -3.398 0.769
189 HB2 HIS 28 1HB HIS 28 2.309 -2.854 1.016
190 HB3 HIS 28 2HB HIS 28 2.652 -1.135 0.866
191 HD1 HIS 28 1HD HIS 28 2.343 -4.263 -1.306
192 HD2 HIS 28 2HD HIS 28 3.237 -0.166 -1.550
193 HE1 HIS 28 1HE HIS 28 2.384 -3.714 -3.785
194 H LEU 29 H LEU 29 4.956 0.066 1.646
195 HA LEU 29 HA LEU 29 6.555 0.855 -0.637
196 HB2 LEU 29 1HB LEU 29 6.252 2.014 2.139
197 HB3 LEU 29 2HB LEU 29 7.183 2.790 0.859
198 HG LEU 29 HG LEU 29 4.289 2.097 0.434
199 HD11 LEU 29 1HD1 LEU 29 5.610 4.556 1.682
200 HD12 LEU 29 2HD1 LEU 29 4.518 3.431 2.499
201 HD13 LEU 29 3HD1 LEU 29 3.881 4.487 1.214
202 HD21 LEU 29 3HD2 LEU 29 6.165 4.149 -0.813
203 HD22 LEU 29 1HD2 LEU 29 4.416 4.061 -1.095
204 HD23 LEU 29 2HD2 LEU 29 5.446 2.726 -1.607
205 H ARG 30 H ARG 30 7.425 -0.541 2.522
206 HA ARG 30 HA ARG 30 10.158 0.104 2.415
207 HB2 ARG 30 1HB ARG 30 8.687 -2.237 3.682
208 HB3 ARG 30 2HB ARG 30 10.442 -2.140 3.757
209 HG2 ARG 30 1HG ARG 30 10.364 0.003 4.899
210 HG3 ARG 30 2HG ARG 30 8.625 0.090 4.743
211 HD2 ARG 30 1HD ARG 30 9.136 -0.592 6.980
212 HD3 ARG 30 2HD ARG 30 8.415 -1.974 6.141
213 HE ARG 30 HE ARG 30 11.283 -2.068 5.922
214 HH11 ARG 30 2HH1 ARG 30 8.821 -2.609 8.359
215 HH12 ARG 30 1HH1 ARG 30 9.814 -3.743 9.235
216 HH21 ARG 30 2HH2 ARG 30 12.489 -3.522 7.088
217 HH22 ARG 30 1HH2 ARG 30 11.835 -4.234 8.533
218 H LYS 31 H LYS 31 8.435 -1.995 0.367
219 HA LYS 31 HA LYS 31 10.774 -3.408 -0.757
220 HB2 LYS 31 1HB LYS 31 7.868 -3.345 -1.672
221 HB3 LYS 31 2HB LYS 31 9.130 -4.416 -2.272
222 HG2 LYS 31 1HG LYS 31 9.351 -5.475 -0.062
223 HG3 LYS 31 2HG LYS 31 8.125 -4.388 0.615
224 HD2 LYS 31 1HD LYS 31 6.421 -5.289 -0.910
225 HD3 LYS 31 2HD LYS 31 7.632 -6.373 -1.640
226 HE2 LYS 31 1HE LYS 31 8.012 -7.410 0.603
227 HE3 LYS 31 2HE LYS 31 6.767 -6.360 1.291
228 HZ1 LYS 31 3HZ LYS 31 5.872 -8.548 0.724
229 HZ2 LYS 31 1HZ LYS 31 6.309 -8.387 -0.839
230 HZ3 LYS 31 2HZ LYS 31 5.150 -7.420 -0.207
231 H HIS 32 H HIS 32 8.952 -0.450 -1.399
232 HA HIS 32 HA HIS 32 10.202 -0.091 -4.063
233 HB2 HIS 32 1HB HIS 32 8.265 1.618 -2.459
234 HB3 HIS 32 2HB HIS 32 8.820 1.966 -4.095
235 HD1 HIS 32 1HD HIS 32 8.393 -0.668 -5.626
236 HD2 HIS 32 2HD HIS 32 5.810 0.827 -2.664
237 HE1 HIS 32 1HE HIS 32 6.140 -1.729 -6.084
238 H THR 33 H THR 33 10.784 0.953 -0.740
239 HA THR 33 HA THR 33 12.432 3.230 -1.447
240 HB THR 33 HB THR 33 13.227 3.061 0.937
241 HG1 THR 33 1HG THR 33 12.851 0.824 1.223
242 HG21 THR 33 3HG2 THR 33 11.313 4.477 0.329
243 HG22 THR 33 1HG2 THR 33 11.082 3.735 1.922
244 HG23 THR 33 2HG2 THR 33 10.209 3.097 0.513
245 H GLY 34 H GLY 34 14.628 3.480 -1.502
246 HA2 GLY 34 1HA GLY 34 16.870 3.018 -1.448
247 HA3 GLY 34 2HA GLY 34 16.513 1.443 -0.753
248 H GLU 35 H GLU 35 14.838 0.711 -3.214
249 HA GLU 35 HA GLU 35 16.808 0.656 -5.410
250 HB2 GLU 35 1HB GLU 35 16.789 -1.760 -5.627
251 HB3 GLU 35 2HB GLU 35 17.457 -1.277 -4.073
252 HG2 GLU 35 1HG GLU 35 15.273 -1.828 -2.977
253 HG3 GLU 35 2HG GLU 35 14.640 -2.353 -4.539
254 H LYS 36 H LYS 36 15.984 -0.010 -7.427
255 HA LYS 36 HA LYS 36 13.037 -0.188 -7.788
256 HB2 LYS 36 1HB LYS 36 14.884 1.789 -9.195
257 HB3 LYS 36 2HB LYS 36 13.219 1.472 -9.657
258 HG2 LYS 36 1HG LYS 36 14.078 2.652 -6.978
259 HG3 LYS 36 2HG LYS 36 13.524 3.566 -8.377
260 HD2 LYS 36 1HD LYS 36 11.307 2.469 -8.270
261 HD3 LYS 36 2HD LYS 36 11.850 1.478 -6.912
262 HE2 LYS 36 1HE LYS 36 10.549 3.254 -6.006
263 HE3 LYS 36 2HE LYS 36 12.232 3.511 -5.550
264 HZ1 LYS 36 3HZ LYS 36 12.389 5.182 -7.321
265 HZ2 LYS 36 1HZ LYS 36 11.166 5.566 -6.318
266 HZ3 LYS 36 2HZ LYS 36 10.843 4.914 -7.779
Start of MODEL 18
1 H1 GLY 1 1H GLY 1 -18.497 3.782 -11.965
2 H2 GLY 1 2H GLY 1 -17.651 4.732 -10.932
3 H3 GLY 1 3H GLY 1 -19.177 5.145 -11.360
4 HA2 GLY 1 1HA GLY 1 -20.086 3.218 -10.248
5 HA3 GLY 1 2HA GLY 1 -18.435 2.753 -9.800
6 H SER 2 H SER 2 -20.793 3.407 -8.104
7 HA SER 2 HA SER 2 -20.150 5.954 -6.766
8 HB2 SER 2 1HB SER 2 -22.174 3.785 -6.100
9 HB3 SER 2 2HB SER 2 -21.990 5.319 -5.234
10 HG SER 2 HG SER 2 -22.664 4.989 -7.991
11 H SER 3 H SER 3 -19.505 6.195 -4.608
12 HA SER 3 HA SER 3 -17.494 4.400 -3.622
13 HB2 SER 3 1HB SER 3 -18.907 6.692 -2.207
14 HB3 SER 3 2HB SER 3 -17.385 5.928 -1.709
15 HG SER 3 HG SER 3 -17.044 7.860 -2.916
16 H GLY 4 H GLY 4 -17.410 3.304 -1.570
17 HA2 GLY 4 1HA GLY 4 -19.721 2.832 0.081
18 HA3 GLY 4 2HA GLY 4 -19.452 1.474 -1.012
19 H SER 5 H SER 5 -19.368 0.893 1.555
20 HA SER 5 HA SER 5 -17.085 1.391 3.077
21 HB2 SER 5 1HB SER 5 -18.881 -1.058 3.216
22 HB3 SER 5 2HB SER 5 -17.868 -0.409 4.521
23 HG SER 5 HG SER 5 -20.056 0.273 4.704
24 H SER 6 H SER 6 -17.286 -0.880 0.453
25 HA SER 6 HA SER 6 -15.107 -2.613 1.253
26 HB2 SER 6 1HB SER 6 -16.232 -2.064 -1.517
27 HB3 SER 6 2HB SER 6 -15.218 -3.438 -1.038
28 HG SER 6 HG SER 6 -17.453 -3.978 -1.060
29 H GLY 7 H GLY 7 -15.085 0.635 0.110
30 HA2 GLY 7 1HA GLY 7 -12.657 0.632 -1.441
31 HA3 GLY 7 2HA GLY 7 -13.433 2.030 -0.703
32 H LYS 8 H LYS 8 -10.645 1.593 -0.902
33 HA LYS 8 HA LYS 8 -9.782 1.416 1.959
34 HB2 LYS 8 1HB LYS 8 -8.489 0.276 -0.527
35 HB3 LYS 8 2HB LYS 8 -7.565 0.588 0.943
36 HG2 LYS 8 1HG LYS 8 -8.953 -0.914 2.248
37 HG3 LYS 8 2HG LYS 8 -10.075 -1.134 0.897
38 HD2 LYS 8 1HD LYS 8 -8.258 -2.171 -0.448
39 HD3 LYS 8 2HD LYS 8 -7.151 -1.981 0.927
40 HE2 LYS 8 1HE LYS 8 -8.604 -3.422 2.316
41 HE3 LYS 8 2HE LYS 8 -9.745 -3.584 0.974
42 HZ1 LYS 8 3HZ LYS 8 -8.004 -4.693 -0.306
43 HZ2 LYS 8 1HZ LYS 8 -8.225 -5.485 1.101
44 HZ3 LYS 8 2HZ LYS 8 -6.921 -4.522 0.905
45 HA PRO 9 HA PRO 9 -8.553 5.542 0.888
46 HB2 PRO 9 1HB PRO 9 -7.605 6.438 3.282
47 HB3 PRO 9 2HB PRO 9 -9.320 6.059 2.993
48 HG2 PRO 9 1HG PRO 9 -7.223 4.341 4.312
49 HG3 PRO 9 2HG PRO 9 -8.885 4.641 4.872
50 HD2 PRO 9 1HD PRO 9 -8.143 2.389 3.446
51 HD3 PRO 9 2HD PRO 9 -9.764 3.113 3.363
52 H TYR 10 H TYR 10 -6.070 3.502 2.511
53 HA TYR 10 HA TYR 10 -3.944 5.322 1.688
54 HB2 TYR 10 1HB TYR 10 -3.743 2.604 3.017
55 HB3 TYR 10 2HB TYR 10 -2.469 3.805 2.907
56 HD1 TYR 10 2HD TYR 10 -2.789 6.049 4.139
57 HD2 TYR 10 1HD TYR 10 -5.341 2.630 4.766
58 HE1 TYR 10 2HE TYR 10 -3.583 7.024 6.295
59 HE2 TYR 10 1HE TYR 10 -6.101 3.575 6.923
60 HH TYR 10 HH TYR 10 -5.946 5.337 8.398
61 H LYS 11 H LYS 11 -2.826 5.130 -0.248
62 HA LYS 11 HA LYS 11 -2.927 2.549 -1.752
63 HB2 LYS 11 1HB LYS 11 -3.541 5.297 -2.898
64 HB3 LYS 11 2HB LYS 11 -3.410 3.779 -3.797
65 HG2 LYS 11 1HG LYS 11 -5.269 2.859 -2.309
66 HG3 LYS 11 2HG LYS 11 -5.499 4.502 -1.700
67 HD2 LYS 11 1HD LYS 11 -5.946 5.281 -4.006
68 HD3 LYS 11 2HD LYS 11 -5.763 3.616 -4.603
69 HE2 LYS 11 1HE LYS 11 -7.621 2.886 -3.119
70 HE3 LYS 11 2HE LYS 11 -7.797 4.535 -2.515
71 HZ1 LYS 11 3HZ LYS 11 -8.378 5.234 -4.780
72 HZ2 LYS 11 1HZ LYS 11 -9.402 4.070 -4.274
73 HZ3 LYS 11 2HZ LYS 11 -8.221 3.707 -5.341
74 H CYS 12 H CYS 12 -1.290 2.085 -3.149
75 HA CYS 12 HA CYS 12 1.294 3.128 -2.472
76 HB2 CYS 12 1HB CYS 12 0.930 0.810 -3.032
77 HB3 CYS 12 2HB CYS 12 0.386 1.263 -4.656
78 HA PRO 13 HA PRO 13 1.364 6.393 -5.628
79 HB2 PRO 13 1HB PRO 13 3.961 7.197 -5.423
80 HB3 PRO 13 2HB PRO 13 2.746 7.522 -4.151
81 HG2 PRO 13 1HG PRO 13 4.778 5.270 -4.248
82 HG3 PRO 13 2HG PRO 13 4.426 6.383 -2.889
83 HD2 PRO 13 1HD PRO 13 3.324 3.887 -3.081
84 HD3 PRO 13 2HD PRO 13 2.415 5.251 -2.371
85 H GLN 14 H GLN 14 3.012 3.363 -5.812
86 HA GLN 14 HA GLN 14 3.810 3.871 -8.663
87 HB2 GLN 14 1HB GLN 14 5.049 1.963 -6.649
88 HB3 GLN 14 2HB GLN 14 5.478 2.097 -8.360
89 HG2 GLN 14 1HG GLN 14 6.087 4.515 -7.962
90 HG3 GLN 14 2HG GLN 14 5.800 4.262 -6.240
91 HE21 GLN 14 1HE2 GLN 14 8.146 5.051 -6.196
92 HE22 GLN 14 2HE2 GLN 14 9.382 3.814 -6.383
93 H CYS 15 H CYS 15 1.970 1.731 -6.554
94 HA CYS 15 HA CYS 15 1.328 -0.047 -8.886
95 HB2 CYS 15 1HB CYS 15 0.867 -0.685 -5.971
96 HB3 CYS 15 2HB CYS 15 0.887 -1.793 -7.339
97 H SER 16 H SER 16 -0.836 -1.171 -8.617
98 HA SER 16 HA SER 16 -3.079 0.674 -8.138
99 HB2 SER 16 1HB SER 16 -4.439 -1.274 -8.876
100 HB3 SER 16 2HB SER 16 -3.198 -0.802 -10.048
101 HG SER 16 HG SER 16 -3.259 -3.082 -9.707
102 H TYR 17 H TYR 17 -1.130 -0.953 -6.083
103 HA TYR 17 HA TYR 17 -2.749 -2.478 -4.344
104 HB2 TYR 17 1HB TYR 17 -0.316 -2.582 -4.400
105 HB3 TYR 17 2HB TYR 17 -0.194 -0.911 -3.892
106 HD1 TYR 17 1HD TYR 17 -0.707 -0.228 -1.518
107 HD2 TYR 17 2HD TYR 17 -0.749 -4.355 -2.815
108 HE1 TYR 17 1HE TYR 17 -0.623 -0.959 0.841
109 HE2 TYR 17 2HE TYR 17 -0.555 -5.082 -0.437
110 HH TYR 17 HH TYR 17 -0.292 -2.768 2.255
111 H ALA 18 H ALA 18 -3.948 -2.042 -2.590
112 HA ALA 18 HA ALA 18 -3.878 0.598 -1.323
113 HB1 ALA 18 1HB ALA 18 -6.295 0.866 -1.352
114 HB2 ALA 18 2HB ALA 18 -5.709 0.716 -3.018
115 HB3 ALA 18 3HB ALA 18 -6.496 -0.671 -2.232
116 H SER 19 H SER 19 -4.472 0.605 0.843
117 HA SER 19 HA SER 19 -5.079 -1.982 2.181
118 HB2 SER 19 1HB SER 19 -3.379 -1.535 3.848
119 HB3 SER 19 2HB SER 19 -2.638 -1.675 2.281
120 HG SER 19 HG SER 19 -2.485 0.351 3.998
121 H ALA 20 H ALA 20 -5.996 -1.789 4.286
122 HA ALA 20 HA ALA 20 -7.591 0.667 4.723
123 HB1 ALA 20 1HB ALA 20 -7.648 -2.054 6.092
124 HB2 ALA 20 2HB ALA 20 -8.833 -0.745 6.292
125 HB3 ALA 20 3HB ALA 20 -8.675 -1.558 4.725
126 H ILE 21 H ILE 21 -4.539 -0.197 5.590
127 HA ILE 21 HA ILE 21 -4.551 1.390 8.106
128 HB ILE 21 HB ILE 21 -3.034 -1.220 7.736
129 HG12 ILE 21 1HG1 ILE 21 -5.506 -0.765 9.461
130 HG13 ILE 21 2HG1 ILE 21 -5.455 -1.711 7.971
131 HG21 ILE 21 1HG2 ILE 21 -2.445 -0.960 10.113
132 HG22 ILE 21 2HG2 ILE 21 -1.943 0.457 9.227
133 HG23 ILE 21 3HG2 ILE 21 -3.417 0.524 10.213
134 HD11 ILE 21 3HD1 ILE 21 -5.403 -3.262 9.756
135 HD12 ILE 21 1HD1 ILE 21 -3.787 -3.255 9.022
136 HD13 ILE 21 2HD1 ILE 21 -4.080 -2.424 10.573
137 H LYS 22 H LYS 22 -2.926 2.867 8.154
138 HA LYS 22 HA LYS 22 -1.300 3.413 5.877
139 HB2 LYS 22 1HB LYS 22 -2.142 4.993 7.705
140 HB3 LYS 22 2HB LYS 22 -0.830 4.405 8.725
141 HG2 LYS 22 1HG LYS 22 0.827 5.197 7.061
142 HG3 LYS 22 2HG LYS 22 -0.486 5.700 5.976
143 HD2 LYS 22 1HD LYS 22 -1.283 7.309 7.698
144 HD3 LYS 22 2HD LYS 22 0.045 6.811 8.771
145 HE2 LYS 22 1HE LYS 22 1.694 7.547 7.062
146 HE3 LYS 22 2HE LYS 22 0.373 8.033 5.991
147 HZ1 LYS 22 3HZ LYS 22 -0.305 9.661 7.676
148 HZ2 LYS 22 1HZ LYS 22 1.243 9.926 7.237
149 HZ3 LYS 22 2HZ LYS 22 0.915 9.211 8.666
150 H ALA 23 H ALA 23 -0.501 1.706 8.886
151 HA ALA 23 HA ALA 23 2.278 1.315 8.424
152 HB1 ALA 23 1HB ALA 23 2.052 -0.472 10.085
153 HB2 ALA 23 2HB ALA 23 1.140 0.964 10.585
154 HB3 ALA 23 3HB ALA 23 0.286 -0.447 9.910
155 H ASN 24 H ASN 24 -0.550 -0.489 7.194
156 HA ASN 24 HA ASN 24 0.963 -2.705 6.123
157 HB2 ASN 24 1HB ASN 24 -1.493 -2.652 6.789
158 HB3 ASN 24 2HB ASN 24 -1.807 -1.702 5.353
159 HD21 ASN 24 1HD2 ASN 24 -0.105 -4.779 6.266
160 HD22 ASN 24 2HD2 ASN 24 -0.803 -5.678 4.929
161 H LEU 25 H LEU 25 -0.146 0.420 4.741
162 HA LEU 25 HA LEU 25 1.026 0.010 2.142
163 HB2 LEU 25 1HB LEU 25 -0.682 1.703 2.513
164 HB3 LEU 25 2HB LEU 25 0.324 2.529 3.703
165 HG LEU 25 HG LEU 25 1.955 3.128 1.954
166 HD11 LEU 25 1HD1 LEU 25 0.040 1.711 0.046
167 HD12 LEU 25 2HD1 LEU 25 1.707 1.215 0.414
168 HD13 LEU 25 3HD1 LEU 25 1.429 2.728 -0.425
169 HD21 LEU 25 3HD2 LEU 25 0.577 4.708 0.721
170 HD22 LEU 25 1HD2 LEU 25 0.038 4.616 2.408
171 HD23 LEU 25 2HD2 LEU 25 -0.885 3.788 1.130
172 H ASN 26 H ASN 26 2.329 1.333 5.243
173 HA ASN 26 HA ASN 26 4.857 2.128 4.126
174 HB2 ASN 26 1HB ASN 26 3.884 1.572 6.926
175 HB3 ASN 26 2HB ASN 26 5.609 1.704 6.618
176 HD21 ASN 26 2HD2 ASN 26 2.531 3.513 6.114
177 HD22 ASN 26 1HD2 ASN 26 3.338 5.081 6.154
178 H VAL 27 H VAL 27 3.889 -1.062 5.541
179 HA VAL 27 HA VAL 27 6.434 -2.312 5.010
180 HB VAL 27 HB VAL 27 3.615 -3.461 5.193
181 HG11 VAL 27 1HG1 VAL 27 6.281 -4.943 5.144
182 HG12 VAL 27 2HG1 VAL 27 4.728 -5.660 5.628
183 HG13 VAL 27 3HG1 VAL 27 4.952 -5.104 3.971
184 HG21 VAL 27 3HG2 VAL 27 4.339 -4.170 7.439
185 HG22 VAL 27 1HG2 VAL 27 5.949 -3.466 7.162
186 HG23 VAL 27 2HG2 VAL 27 4.522 -2.420 7.282
187 H HIS 28 H HIS 28 3.556 -1.847 2.897
188 HA HIS 28 HA HIS 28 4.635 -3.339 0.717
189 HB2 HIS 28 1HB HIS 28 2.266 -2.712 0.873
190 HB3 HIS 28 2HB HIS 28 2.674 -1.011 0.739
191 HD1 HIS 28 1HD HIS 28 2.463 -4.135 -1.472
192 HD2 HIS 28 2HD HIS 28 3.334 -0.030 -1.642
193 HE1 HIS 28 1HE HIS 28 2.636 -3.571 -3.942
194 H LEU 29 H LEU 29 4.949 0.133 1.576
195 HA LEU 29 HA LEU 29 6.596 0.874 -0.675
196 HB2 LEU 29 1HB LEU 29 6.276 2.053 2.089
197 HB3 LEU 29 2HB LEU 29 7.264 2.795 0.832
198 HG LEU 29 HG LEU 29 4.358 2.172 0.339
199 HD11 LEU 29 1HD1 LEU 29 4.581 3.541 2.377
200 HD12 LEU 29 2HD1 LEU 29 4.008 4.589 1.057
201 HD13 LEU 29 3HD1 LEU 29 5.729 4.612 1.565
202 HD21 LEU 29 3HD2 LEU 29 6.319 4.142 -0.913
203 HD22 LEU 29 1HD2 LEU 29 4.575 4.110 -1.227
204 HD23 LEU 29 2HD2 LEU 29 5.562 2.731 -1.694
205 H ARG 30 H ARG 30 7.394 -0.499 2.514
206 HA ARG 30 HA ARG 30 10.140 0.036 2.425
207 HB2 ARG 30 1HB ARG 30 8.527 -2.177 3.746
208 HB3 ARG 30 2HB ARG 30 10.283 -2.195 3.845
209 HG2 ARG 30 1HG ARG 30 10.348 -0.046 4.931
210 HG3 ARG 30 2HG ARG 30 8.637 0.214 4.701
211 HD2 ARG 30 1HD ARG 30 9.035 -0.415 6.990
212 HD3 ARG 30 2HD ARG 30 8.147 -1.719 6.192
213 HE ARG 30 HE ARG 30 10.975 -2.217 6.040
214 HH11 ARG 30 2HH1 ARG 30 8.430 -2.284 8.448
215 HH12 ARG 30 1HH1 ARG 30 9.234 -3.509 9.392
216 HH21 ARG 30 2HH2 ARG 30 11.943 -3.776 7.291
217 HH22 ARG 30 1HH2 ARG 30 11.174 -4.318 8.753
218 H LYS 31 H LYS 31 8.362 -2.103 0.437
219 HA LYS 31 HA LYS 31 10.688 -3.598 -0.605
220 HB2 LYS 31 1HB LYS 31 7.805 -3.511 -1.586
221 HB3 LYS 31 2HB LYS 31 9.068 -4.612 -2.132
222 HG2 LYS 31 1HG LYS 31 9.235 -5.588 0.139
223 HG3 LYS 31 2HG LYS 31 7.959 -4.498 0.713
224 HD2 LYS 31 1HD LYS 31 6.361 -5.483 -0.894
225 HD3 LYS 31 2HD LYS 31 7.631 -6.584 -1.482
226 HE2 LYS 31 1HE LYS 31 7.863 -7.510 0.826
227 HE3 LYS 31 2HE LYS 31 6.566 -6.443 1.377
228 HZ1 LYS 31 3HZ LYS 31 5.064 -7.588 -0.174
229 HZ2 LYS 31 1HZ LYS 31 5.728 -8.664 0.856
230 HZ3 LYS 31 2HZ LYS 31 6.268 -8.572 -0.680
231 H HIS 32 H HIS 32 8.905 -0.634 -1.418
232 HA HIS 32 HA HIS 32 10.231 -0.378 -4.043
233 HB2 HIS 32 1HB HIS 32 8.469 1.488 -2.409
234 HB3 HIS 32 2HB HIS 32 9.142 1.881 -3.989
235 HD1 HIS 32 1HD HIS 32 8.480 -0.296 -5.884
236 HD2 HIS 32 2HD HIS 32 5.976 0.787 -2.690
237 HE1 HIS 32 1HE HIS 32 6.181 -1.153 -6.497
238 H THR 33 H THR 33 10.715 0.864 -0.730
239 HA THR 33 HA THR 33 12.900 2.656 -1.553
240 HB THR 33 HB THR 33 13.014 3.267 0.802
241 HG1 THR 33 1HG THR 33 11.585 2.369 2.261
242 HG21 THR 33 3HG2 THR 33 10.834 4.295 1.056
243 HG22 THR 33 1HG2 THR 33 10.112 3.181 -0.122
244 HG23 THR 33 2HG2 THR 33 11.321 4.373 -0.645
245 H GLY 34 H GLY 34 14.897 2.631 -0.016
246 HA2 GLY 34 1HA GLY 34 16.657 1.476 1.039
247 HA3 GLY 34 2HA GLY 34 15.945 -0.068 0.599
248 H GLU 35 H GLU 35 18.306 -0.410 0.163
249 HA GLU 35 HA GLU 35 19.573 0.874 -2.110
250 HB2 GLU 35 1HB GLU 35 20.361 -1.570 -0.478
251 HB3 GLU 35 2HB GLU 35 21.366 -0.803 -1.714
252 HG2 GLU 35 1HG GLU 35 21.322 1.329 -0.428
253 HG3 GLU 35 2HG GLU 35 20.388 0.538 0.844
254 H LYS 36 H LYS 36 20.370 -0.132 -4.006
255 HA LYS 36 HA LYS 36 18.428 -1.863 -5.373
256 HB2 LYS 36 1HB LYS 36 20.985 -0.525 -6.340
257 HB3 LYS 36 2HB LYS 36 19.875 -1.459 -7.350
258 HG2 LYS 36 1HG LYS 36 18.025 0.125 -6.745
259 HG3 LYS 36 2HG LYS 36 19.191 1.132 -5.884
260 HD2 LYS 36 1HD LYS 36 19.244 0.435 -8.852
261 HD3 LYS 36 2HD LYS 36 18.699 1.965 -8.178
262 HE2 LYS 36 1HE LYS 36 21.542 0.870 -7.942
263 HE3 LYS 36 2HE LYS 36 21.003 2.015 -9.168
264 HZ1 LYS 36 3HZ LYS 36 20.455 3.587 -7.393
265 HZ2 LYS 36 1HZ LYS 36 22.030 3.174 -7.322
266 HZ3 LYS 36 2HZ LYS 36 20.979 2.546 -6.246
Start of MODEL 19
1 H1 GLY 1 1H GLY 1 -22.816 -10.534 -6.519
2 H2 GLY 1 2H GLY 1 -23.491 -11.502 -5.381
3 H3 GLY 1 3H GLY 1 -21.906 -11.668 -5.769
4 HA2 GLY 1 1HA GLY 1 -23.107 -9.310 -4.470
5 HA3 GLY 1 2HA GLY 1 -22.135 -10.545 -3.649
6 H SER 2 H SER 2 -21.490 -7.814 -3.605
7 HA SER 2 HA SER 2 -19.549 -7.032 -5.554
8 HB2 SER 2 1HB SER 2 -19.892 -6.076 -2.687
9 HB3 SER 2 2HB SER 2 -18.999 -5.244 -3.974
10 HG SER 2 HG SER 2 -21.139 -4.430 -3.732
11 H SER 3 H SER 3 -17.285 -6.823 -5.414
12 HA SER 3 HA SER 3 -15.889 -9.076 -4.368
13 HB2 SER 3 1HB SER 3 -14.747 -6.467 -5.432
14 HB3 SER 3 2HB SER 3 -13.905 -8.023 -5.309
15 HG SER 3 HG SER 3 -14.725 -7.650 -7.424
16 H GLY 4 H GLY 4 -16.667 -6.151 -2.757
17 HA2 GLY 4 1HA GLY 4 -15.366 -6.960 -0.320
18 HA3 GLY 4 2HA GLY 4 -14.555 -5.562 -1.035
19 H SER 5 H SER 5 -15.706 -5.327 1.445
20 HA SER 5 HA SER 5 -18.450 -4.371 1.332
21 HB2 SER 5 1HB SER 5 -18.062 -3.878 3.739
22 HB3 SER 5 2HB SER 5 -17.684 -5.546 3.277
23 HG SER 5 HG SER 5 -16.047 -4.614 4.605
24 H SER 6 H SER 6 -15.291 -2.783 1.324
25 HA SER 6 HA SER 6 -16.466 -0.244 0.450
26 HB2 SER 6 1HB SER 6 -15.069 -0.518 3.141
27 HB3 SER 6 2HB SER 6 -15.100 1.013 2.253
28 HG SER 6 HG SER 6 -17.497 -0.405 2.733
29 H GLY 7 H GLY 7 -15.002 1.106 -0.567
30 HA2 GLY 7 1HA GLY 7 -12.494 0.069 -1.572
31 HA3 GLY 7 2HA GLY 7 -13.104 1.715 -1.751
32 H LYS 8 H LYS 8 -10.389 1.048 -1.251
33 HA LYS 8 HA LYS 8 -9.922 1.434 1.644
34 HB2 LYS 8 1HB LYS 8 -8.032 0.615 -0.564
35 HB3 LYS 8 2HB LYS 8 -7.608 0.722 1.141
36 HG2 LYS 8 1HG LYS 8 -9.598 -1.148 -0.147
37 HG3 LYS 8 2HG LYS 8 -8.013 -1.574 0.509
38 HD2 LYS 8 1HD LYS 8 -8.789 -1.070 2.759
39 HD3 LYS 8 2HD LYS 8 -10.381 -0.595 2.169
40 HE2 LYS 8 1HE LYS 8 -9.162 -3.375 1.918
41 HE3 LYS 8 2HE LYS 8 -10.354 -2.876 3.120
42 HZ1 LYS 8 3HZ LYS 8 -11.890 -2.364 1.230
43 HZ2 LYS 8 1HZ LYS 8 -11.483 -3.946 1.312
44 HZ3 LYS 8 2HZ LYS 8 -10.800 -2.989 0.187
45 HA PRO 9 HA PRO 9 -8.536 5.588 1.127
46 HB2 PRO 9 1HB PRO 9 -7.481 6.068 3.607
47 HB3 PRO 9 2HB PRO 9 -9.222 5.811 3.319
48 HG2 PRO 9 1HG PRO 9 -7.187 3.817 4.311
49 HG3 PRO 9 2HG PRO 9 -8.832 4.101 4.925
50 HD2 PRO 9 1HD PRO 9 -8.173 2.054 3.105
51 HD3 PRO 9 2HD PRO 9 -9.748 2.836 3.258
52 H TYR 10 H TYR 10 -5.983 3.450 2.596
53 HA TYR 10 HA TYR 10 -3.923 5.340 1.737
54 HB2 TYR 10 1HB TYR 10 -3.609 2.650 3.123
55 HB3 TYR 10 2HB TYR 10 -2.384 3.890 2.954
56 HD1 TYR 10 2HD TYR 10 -2.603 6.077 4.193
57 HD2 TYR 10 1HD TYR 10 -5.315 2.782 4.840
58 HE1 TYR 10 2HE TYR 10 -3.372 7.121 6.318
59 HE2 TYR 10 1HE TYR 10 -6.048 3.801 6.975
60 HH TYR 10 HH TYR 10 -4.754 6.939 8.143
61 H LYS 11 H LYS 11 -2.756 5.169 -0.163
62 HA LYS 11 HA LYS 11 -2.914 2.630 -1.741
63 HB2 LYS 11 1HB LYS 11 -3.261 5.400 -2.903
64 HB3 LYS 11 2HB LYS 11 -3.484 3.833 -3.692
65 HG2 LYS 11 1HG LYS 11 -5.377 3.392 -2.021
66 HG3 LYS 11 2HG LYS 11 -5.174 5.066 -1.499
67 HD2 LYS 11 1HD LYS 11 -5.628 5.812 -3.828
68 HD3 LYS 11 2HD LYS 11 -5.966 4.133 -4.269
69 HE2 LYS 11 1HE LYS 11 -8.077 5.204 -3.850
70 HE3 LYS 11 2HE LYS 11 -7.766 4.063 -2.539
71 HZ1 LYS 11 3HZ LYS 11 -8.563 6.163 -1.671
72 HZ2 LYS 11 1HZ LYS 11 -7.371 7.010 -2.400
73 HZ3 LYS 11 2HZ LYS 11 -7.016 5.978 -1.176
74 H CYS 12 H CYS 12 -1.253 2.133 -3.121
75 HA CYS 12 HA CYS 12 1.356 3.172 -2.506
76 HB2 CYS 12 1HB CYS 12 0.955 0.840 -3.008
77 HB3 CYS 12 2HB CYS 12 0.380 1.254 -4.630
78 HA PRO 13 HA PRO 13 1.392 6.366 -5.723
79 HB2 PRO 13 1HB PRO 13 3.997 7.153 -5.568
80 HB3 PRO 13 2HB PRO 13 2.803 7.513 -4.286
81 HG2 PRO 13 1HG PRO 13 4.819 5.245 -4.372
82 HG3 PRO 13 2HG PRO 13 4.493 6.386 -3.027
83 HD2 PRO 13 1HD PRO 13 3.373 3.893 -3.161
84 HD3 PRO 13 2HD PRO 13 2.489 5.276 -2.456
85 H GLN 14 H GLN 14 3.016 3.323 -5.864
86 HA GLN 14 HA GLN 14 3.795 3.766 -8.730
87 HB2 GLN 14 1HB GLN 14 5.040 1.901 -6.680
88 HB3 GLN 14 2HB GLN 14 5.456 1.985 -8.397
89 HG2 GLN 14 1HG GLN 14 6.082 4.410 -8.071
90 HG3 GLN 14 2HG GLN 14 5.804 4.208 -6.341
91 HE21 GLN 14 1HE2 GLN 14 8.151 4.974 -6.307
92 HE22 GLN 14 2HE2 GLN 14 9.380 3.728 -6.479
93 H CYS 15 H CYS 15 1.952 1.683 -6.569
94 HA CYS 15 HA CYS 15 1.280 -0.130 -8.865
95 HB2 CYS 15 1HB CYS 15 0.855 -0.746 -5.940
96 HB3 CYS 15 2HB CYS 15 0.875 -1.864 -7.301
97 H SER 16 H SER 16 -0.876 -1.258 -8.526
98 HA SER 16 HA SER 16 -3.111 0.597 -8.050
99 HB2 SER 16 1HB SER 16 -4.482 -1.366 -8.724
100 HB3 SER 16 2HB SER 16 -3.259 -0.921 -9.925
101 HG SER 16 HG SER 16 -3.314 -3.194 -9.534
102 H TYR 17 H TYR 17 -1.131 -1.020 -5.985
103 HA TYR 17 HA TYR 17 -2.790 -2.461 -4.200
104 HB2 TYR 17 1HB TYR 17 -0.375 -2.700 -4.224
105 HB3 TYR 17 2HB TYR 17 -0.154 -1.010 -3.808
106 HD1 TYR 17 1HD TYR 17 -0.605 -0.166 -1.506
107 HD2 TYR 17 2HD TYR 17 -0.997 -4.350 -2.519
108 HE1 TYR 17 1HE TYR 17 -0.645 -0.747 0.902
109 HE2 TYR 17 2HE TYR 17 -1.005 -4.925 -0.098
110 HH TYR 17 HH TYR 17 -0.884 -4.141 2.035
111 H ALA 18 H ALA 18 -4.072 -1.911 -2.548
112 HA ALA 18 HA ALA 18 -3.698 0.603 -1.150
113 HB1 ALA 18 1HB ALA 18 -6.420 -0.078 -2.347
114 HB2 ALA 18 2HB ALA 18 -6.033 1.314 -1.303
115 HB3 ALA 18 3HB ALA 18 -5.337 1.209 -2.924
116 H SER 19 H SER 19 -4.503 0.611 0.977
117 HA SER 19 HA SER 19 -5.802 -1.836 2.033
118 HB2 SER 19 1HB SER 19 -3.272 -2.104 2.169
119 HB3 SER 19 2HB SER 19 -3.271 -0.758 3.322
120 HG SER 19 HG SER 19 -4.544 -3.305 3.528
121 H ALA 20 H ALA 20 -6.470 -1.624 4.301
122 HA ALA 20 HA ALA 20 -7.743 0.987 4.800
123 HB1 ALA 20 1HB ALA 20 -7.988 -1.709 6.194
124 HB2 ALA 20 2HB ALA 20 -8.997 -0.280 6.504
125 HB3 ALA 20 3HB ALA 20 -9.070 -1.078 4.931
126 H ILE 21 H ILE 21 -4.759 -0.260 5.629
127 HA ILE 21 HA ILE 21 -4.588 1.311 8.172
128 HB ILE 21 HB ILE 21 -3.449 -1.442 7.586
129 HG12 ILE 21 1HG1 ILE 21 -5.560 -0.561 9.608
130 HG13 ILE 21 2HG1 ILE 21 -5.860 -1.489 8.138
131 HG21 ILE 21 1HG2 ILE 21 -2.534 -1.393 9.879
132 HG22 ILE 21 2HG2 ILE 21 -1.852 -0.126 8.903
133 HG23 ILE 21 3HG2 ILE 21 -3.121 0.274 10.087
134 HD11 ILE 21 3HD1 ILE 21 -4.400 -3.327 9.037
135 HD12 ILE 21 1HD1 ILE 21 -4.373 -2.455 10.592
136 HD13 ILE 21 2HD1 ILE 21 -5.905 -3.031 9.929
137 H LYS 22 H LYS 22 -2.962 2.730 8.239
138 HA LYS 22 HA LYS 22 -1.335 3.313 5.976
139 HB2 LYS 22 1HB LYS 22 -2.155 4.856 7.829
140 HB3 LYS 22 2HB LYS 22 -0.872 4.214 8.853
141 HG2 LYS 22 1HG LYS 22 0.828 5.029 7.245
142 HG3 LYS 22 2HG LYS 22 -0.457 5.589 6.155
143 HD2 LYS 22 1HD LYS 22 -1.256 7.153 7.921
144 HD3 LYS 22 2HD LYS 22 0.045 6.597 8.995
145 HE2 LYS 22 1HE LYS 22 1.734 7.363 7.338
146 HE3 LYS 22 2HE LYS 22 0.439 7.908 6.264
147 HZ1 LYS 22 3HZ LYS 22 -0.239 9.489 7.997
148 HZ2 LYS 22 1HZ LYS 22 1.321 9.742 7.593
149 HZ3 LYS 22 2HZ LYS 22 0.957 8.982 8.990
150 H ALA 23 H ALA 23 -0.566 1.463 8.899
151 HA ALA 23 HA ALA 23 2.222 1.117 8.457
152 HB1 ALA 23 1HB ALA 23 2.007 -0.732 10.036
153 HB2 ALA 23 2HB ALA 23 1.046 0.656 10.584
154 HB3 ALA 23 3HB ALA 23 0.246 -0.747 9.831
155 H ASN 24 H ASN 24 -0.569 -0.729 7.143
156 HA ASN 24 HA ASN 24 0.970 -2.850 5.951
157 HB2 ASN 24 1HB ASN 24 -1.759 -1.670 5.242
158 HB3 ASN 24 2HB ASN 24 -1.076 -3.098 4.499
159 HD21 ASN 24 1HD2 ASN 24 -3.450 -3.413 5.533
160 HD22 ASN 24 2HD2 ASN 24 -3.351 -4.376 7.011
161 H LEU 25 H LEU 25 -0.118 0.341 4.682
162 HA LEU 25 HA LEU 25 1.144 0.042 2.126
163 HB2 LEU 25 1HB LEU 25 -0.630 1.678 2.517
164 HB3 LEU 25 2HB LEU 25 0.362 2.521 3.713
165 HG LEU 25 HG LEU 25 2.001 3.141 1.966
166 HD11 LEU 25 1HD1 LEU 25 1.748 1.259 0.393
167 HD12 LEU 25 2HD1 LEU 25 1.457 2.787 -0.418
168 HD13 LEU 25 3HD1 LEU 25 0.077 1.757 0.043
169 HD21 LEU 25 3HD2 LEU 25 0.629 4.741 0.766
170 HD22 LEU 25 1HD2 LEU 25 0.097 4.627 2.453
171 HD23 LEU 25 2HD2 LEU 25 -0.836 3.824 1.168
172 H ASN 26 H ASN 26 2.367 1.313 5.264
173 HA ASN 26 HA ASN 26 4.900 2.194 4.227
174 HB2 ASN 26 1HB ASN 26 3.879 1.470 6.974
175 HB3 ASN 26 2HB ASN 26 5.609 1.653 6.714
176 HD21 ASN 26 1HD2 ASN 26 2.502 3.423 6.260
177 HD22 ASN 26 2HD2 ASN 26 3.275 5.003 6.392
178 H VAL 27 H VAL 27 3.972 -1.054 5.538
179 HA VAL 27 HA VAL 27 6.543 -2.246 4.993
180 HB VAL 27 HB VAL 27 3.756 -3.458 5.198
181 HG11 VAL 27 1HG1 VAL 27 6.455 -4.878 5.140
182 HG12 VAL 27 2HG1 VAL 27 4.917 -5.628 5.628
183 HG13 VAL 27 3HG1 VAL 27 5.125 -5.070 3.971
184 HG21 VAL 27 3HG2 VAL 27 6.100 -3.386 7.152
185 HG22 VAL 27 1HG2 VAL 27 4.636 -2.391 7.276
186 HG23 VAL 27 2HG2 VAL 27 4.516 -4.146 7.439
187 H HIS 28 H HIS 28 3.636 -1.856 2.903
188 HA HIS 28 HA HIS 28 4.725 -3.317 0.713
189 HB2 HIS 28 1HB HIS 28 2.352 -2.744 0.886
190 HB3 HIS 28 2HB HIS 28 2.719 -1.027 0.766
191 HD1 HIS 28 1HD HIS 28 2.484 -4.138 -1.451
192 HD2 HIS 28 2HD HIS 28 3.358 -0.034 -1.635
193 HE1 HIS 28 1HE HIS 28 2.599 -3.567 -3.924
194 H LEU 29 H LEU 29 5.003 0.155 1.571
195 HA LEU 29 HA LEU 29 6.622 0.912 -0.701
196 HB2 LEU 29 1HB LEU 29 6.311 2.105 2.059
197 HB3 LEU 29 2HB LEU 29 7.272 2.852 0.783
198 HG LEU 29 HG LEU 29 4.374 2.181 0.327
199 HD11 LEU 29 1HD1 LEU 29 5.713 4.654 1.521
200 HD12 LEU 29 2HD1 LEU 29 4.601 3.564 2.359
201 HD13 LEU 29 3HD1 LEU 29 3.987 4.592 1.041
202 HD21 LEU 29 3HD2 LEU 29 4.535 4.112 -1.251
203 HD22 LEU 29 1HD2 LEU 29 5.548 2.751 -1.722
204 HD23 LEU 29 2HD2 LEU 29 6.282 4.181 -0.957
205 H ARG 30 H ARG 30 7.476 -0.426 2.497
206 HA ARG 30 HA ARG 30 10.214 0.161 2.365
207 HB2 ARG 30 1HB ARG 30 8.711 -2.162 3.645
208 HB3 ARG 30 2HB ARG 30 10.468 -2.082 3.728
209 HG2 ARG 30 1HG ARG 30 10.419 0.043 4.868
210 HG3 ARG 30 2HG ARG 30 8.676 0.168 4.719
211 HD2 ARG 30 1HD ARG 30 8.404 -1.878 6.102
212 HD3 ARG 30 2HD ARG 30 10.152 -2.022 6.252
213 HE ARG 30 HE ARG 30 8.367 -0.136 7.634
214 HH11 ARG 30 2HH2 ARG 30 11.739 -0.776 6.898
215 HH12 ARG 30 1HH2 ARG 30 12.302 0.222 8.210
216 HH21 ARG 30 2HH1 ARG 30 9.162 1.116 9.282
217 HH22 ARG 30 1HH1 ARG 30 10.878 1.260 9.516
218 H LYS 31 H LYS 31 8.412 -2.137 0.498
219 HA LYS 31 HA LYS 31 10.719 -3.588 -0.609
220 HB2 LYS 31 1HB LYS 31 7.828 -3.482 -1.565
221 HB3 LYS 31 2HB LYS 31 9.072 -4.604 -2.108
222 HG2 LYS 31 1HG LYS 31 9.242 -5.569 0.157
223 HG3 LYS 31 2HG LYS 31 8.004 -4.446 0.747
224 HD2 LYS 31 1HD LYS 31 6.379 -5.371 -0.886
225 HD3 LYS 31 2HD LYS 31 7.577 -6.563 -1.408
226 HE2 LYS 31 1HE LYS 31 6.513 -6.266 1.445
227 HE3 LYS 31 2HE LYS 31 5.870 -7.402 0.256
228 HZ1 LYS 31 3HZ LYS 31 7.471 -8.496 1.688
229 HZ2 LYS 31 1HZ LYS 31 8.651 -7.441 1.302
230 HZ3 LYS 31 2HZ LYS 31 8.063 -8.466 0.170
231 H HIS 32 H HIS 32 8.895 -0.654 -1.444
232 HA HIS 32 HA HIS 32 10.210 -0.386 -4.063
233 HB2 HIS 32 1HB HIS 32 8.458 1.448 -2.391
234 HB3 HIS 32 2HB HIS 32 9.122 1.887 -3.966
235 HD1 HIS 32 1HD HIS 32 8.478 -0.310 -5.879
236 HD2 HIS 32 2HD HIS 32 5.963 0.786 -2.700
237 HE1 HIS 32 1HE HIS 32 6.182 -1.172 -6.497
238 H THR 33 H THR 33 10.791 0.827 -0.745
239 HA THR 33 HA THR 33 12.948 2.607 -1.709
240 HB THR 33 HB THR 33 13.002 3.436 0.586
241 HG1 THR 33 1HG THR 33 11.483 2.678 2.056
242 HG21 THR 33 3HG2 THR 33 11.368 4.403 -1.030
243 HG22 THR 33 1HG2 THR 33 10.809 4.487 0.649
244 HG23 THR 33 2HG2 THR 33 10.136 3.263 -0.446
245 H GLY 34 H GLY 34 12.731 -0.457 0.054
246 HA2 GLY 34 1HA GLY 34 15.340 -0.341 1.232
247 HA3 GLY 34 2HA GLY 34 14.287 -1.748 1.104
248 H GLU 35 H GLU 35 14.561 -1.018 -2.035
249 HA GLU 35 HA GLU 35 17.265 -2.042 -2.576
250 HB2 GLU 35 1HB GLU 35 16.507 -3.959 -3.872
251 HB3 GLU 35 2HB GLU 35 16.021 -4.105 -2.188
252 HG2 GLU 35 1HG GLU 35 13.714 -3.392 -2.782
253 HG3 GLU 35 2HG GLU 35 14.199 -3.227 -4.473
254 H LYS 36 H LYS 36 17.747 -2.171 -4.877
255 HA LYS 36 HA LYS 36 18.147 -1.076 -6.827
256 HB2 LYS 36 1HB LYS 36 15.123 -1.242 -7.063
257 HB3 LYS 36 2HB LYS 36 16.258 -0.940 -8.386
258 HG2 LYS 36 1HG LYS 36 17.320 -3.156 -7.998
259 HG3 LYS 36 2HG LYS 36 16.190 -3.466 -6.675
260 HD2 LYS 36 1HD LYS 36 15.417 -4.638 -8.614
261 HD3 LYS 36 2HD LYS 36 14.283 -3.327 -8.261
262 HE2 LYS 36 1HE LYS 36 15.323 -1.944 -10.044
263 HE3 LYS 36 2HE LYS 36 16.504 -3.223 -10.358
264 HZ1 LYS 36 3HZ LYS 36 14.654 -3.315 -11.927
265 HZ2 LYS 36 1HZ LYS 36 13.565 -3.490 -10.724
266 HZ3 LYS 36 2HZ LYS 36 14.658 -4.670 -11.019
Start of MODEL 20
1 H1 GLY 1 1H GLY 1 -22.652 11.626 -9.919
2 H2 GLY 1 2H GLY 1 -21.935 11.735 -11.388
3 H3 GLY 1 3H GLY 1 -21.017 11.594 -10.039
4 HA2 GLY 1 1HA GLY 1 -21.874 9.379 -9.611
5 HA3 GLY 1 2HA GLY 1 -22.844 9.531 -11.087
6 H SER 2 H SER 2 -21.873 7.799 -12.135
7 HA SER 2 HA SER 2 -20.404 6.633 -13.385
8 HB2 SER 2 1HB SER 2 -19.288 9.358 -14.094
9 HB3 SER 2 2HB SER 2 -19.172 7.880 -15.063
10 HG SER 2 HG SER 2 -21.421 7.894 -15.314
11 H SER 3 H SER 3 -19.486 6.942 -10.633
12 HA SER 3 HA SER 3 -16.755 5.935 -10.959
13 HB2 SER 3 1HB SER 3 -16.552 8.461 -10.741
14 HB3 SER 3 2HB SER 3 -17.238 8.307 -9.113
15 HG SER 3 HG SER 3 -14.914 8.281 -9.156
16 H GLY 4 H GLY 4 -15.907 5.108 -8.840
17 HA2 GLY 4 1HA GLY 4 -17.844 3.401 -7.552
18 HA3 GLY 4 2HA GLY 4 -16.149 3.579 -7.106
19 H SER 5 H SER 5 -18.799 3.483 -5.563
20 HA SER 5 HA SER 5 -19.022 6.085 -4.252
21 HB2 SER 5 1HB SER 5 -20.828 4.964 -2.985
22 HB3 SER 5 2HB SER 5 -21.011 4.819 -4.741
23 HG SER 5 HG SER 5 -21.368 2.816 -3.657
24 H SER 6 H SER 6 -17.132 3.270 -3.631
25 HA SER 6 HA SER 6 -16.144 4.373 -1.086
26 HB2 SER 6 1HB SER 6 -18.119 2.895 -0.520
27 HB3 SER 6 2HB SER 6 -17.221 1.529 -1.206
28 HG SER 6 HG SER 6 -16.957 1.766 1.091
29 H GLY 7 H GLY 7 -14.212 3.225 -0.317
30 HA2 GLY 7 1HA GLY 7 -12.787 1.237 -1.722
31 HA3 GLY 7 2HA GLY 7 -12.254 2.793 -2.362
32 H LYS 8 H LYS 8 -10.348 1.356 -1.272
33 HA LYS 8 HA LYS 8 -9.915 1.735 1.578
34 HB2 LYS 8 1HB LYS 8 -8.033 1.018 -0.673
35 HB3 LYS 8 2HB LYS 8 -7.579 0.999 1.027
36 HG2 LYS 8 1HG LYS 8 -9.687 -0.734 -0.290
37 HG3 LYS 8 2HG LYS 8 -8.050 -1.225 0.166
38 HD2 LYS 8 1HD LYS 8 -8.591 -0.988 2.524
39 HD3 LYS 8 2HD LYS 8 -10.221 -0.399 2.131
40 HE2 LYS 8 1HE LYS 8 -10.669 -2.532 0.909
41 HE3 LYS 8 2HE LYS 8 -9.077 -3.131 1.383
42 HZ1 LYS 8 3HZ LYS 8 -9.793 -3.020 3.707
43 HZ2 LYS 8 1HZ LYS 8 -10.845 -3.929 2.859
44 HZ3 LYS 8 2HZ LYS 8 -11.254 -2.410 3.281
45 HA PRO 9 HA PRO 9 -8.314 5.880 1.401
46 HB2 PRO 9 1HB PRO 9 -7.154 6.060 3.883
47 HB3 PRO 9 2HB PRO 9 -8.911 6.033 3.593
48 HG2 PRO 9 1HG PRO 9 -7.138 3.772 4.483
49 HG3 PRO 9 2HG PRO 9 -8.775 4.173 5.039
50 HD2 PRO 9 1HD PRO 9 -8.161 2.205 3.105
51 HD3 PRO 9 2HD PRO 9 -9.707 3.047 3.291
52 H TYR 10 H TYR 10 -5.919 3.412 2.582
53 HA TYR 10 HA TYR 10 -3.730 5.197 1.781
54 HB2 TYR 10 1HB TYR 10 -3.585 2.471 3.112
55 HB3 TYR 10 2HB TYR 10 -2.282 3.628 2.937
56 HD1 TYR 10 2HD TYR 10 -2.329 5.814 4.202
57 HD2 TYR 10 1HD TYR 10 -5.269 2.723 4.827
58 HE1 TYR 10 2HE TYR 10 -3.068 6.936 6.294
59 HE2 TYR 10 1HE TYR 10 -5.953 3.800 6.957
60 HH TYR 10 HH TYR 10 -4.498 6.874 8.097
61 H LYS 11 H LYS 11 -2.754 5.067 -0.164
62 HA LYS 11 HA LYS 11 -2.981 2.585 -1.841
63 HB2 LYS 11 1HB LYS 11 -3.651 5.463 -2.490
64 HB3 LYS 11 2HB LYS 11 -3.252 4.302 -3.759
65 HG2 LYS 11 1HG LYS 11 -5.069 2.911 -3.309
66 HG3 LYS 11 2HG LYS 11 -5.390 3.602 -1.717
67 HD2 LYS 11 1HD LYS 11 -5.759 5.155 -4.306
68 HD3 LYS 11 2HD LYS 11 -7.025 4.186 -3.528
69 HE2 LYS 11 1HE LYS 11 -6.766 5.504 -1.437
70 HE3 LYS 11 2HE LYS 11 -5.551 6.520 -2.224
71 HZ1 LYS 11 3HZ LYS 11 -7.274 7.197 -3.827
72 HZ2 LYS 11 1HZ LYS 11 -7.741 7.553 -2.304
73 HZ3 LYS 11 2HZ LYS 11 -8.389 6.268 -3.072
74 H CYS 12 H CYS 12 -1.295 2.067 -3.148
75 HA CYS 12 HA CYS 12 1.303 3.119 -2.519
76 HB2 CYS 12 1HB CYS 12 0.935 0.784 -3.029
77 HB3 CYS 12 2HB CYS 12 0.378 1.192 -4.657
78 HA PRO 13 HA PRO 13 1.306 6.340 -5.718
79 HB2 PRO 13 1HB PRO 13 3.915 7.132 -5.569
80 HB3 PRO 13 2HB PRO 13 2.718 7.495 -4.288
81 HG2 PRO 13 1HG PRO 13 4.741 5.233 -4.364
82 HG3 PRO 13 2HG PRO 13 4.408 6.376 -3.024
83 HD2 PRO 13 1HD PRO 13 3.302 3.881 -3.150
84 HD3 PRO 13 2HD PRO 13 2.403 5.260 -2.457
85 H GLN 14 H GLN 14 2.970 3.324 -5.846
86 HA GLN 14 HA GLN 14 3.816 3.746 -8.694
87 HB2 GLN 14 1HB GLN 14 5.031 2.068 -6.470
88 HB3 GLN 14 2HB GLN 14 5.515 1.968 -8.168
89 HG2 GLN 14 1HG GLN 14 6.206 4.311 -8.172
90 HG3 GLN 14 2HG GLN 14 5.621 4.540 -6.527
91 HE21 GLN 14 1HE2 GLN 14 7.996 2.498 -8.373
92 HE22 GLN 14 2HE2 GLN 14 9.139 2.456 -7.038
93 H CYS 15 H CYS 15 1.950 1.657 -6.561
94 HA CYS 15 HA CYS 15 1.358 -0.185 -8.861
95 HB2 CYS 15 1HB CYS 15 0.911 -0.804 -5.937
96 HB3 CYS 15 2HB CYS 15 0.956 -1.923 -7.297
97 H SER 16 H SER 16 -0.790 -1.341 -8.545
98 HA SER 16 HA SER 16 -3.051 0.487 -8.089
99 HB2 SER 16 1HB SER 16 -4.393 -1.490 -8.776
100 HB3 SER 16 2HB SER 16 -3.164 -1.031 -9.966
101 HG SER 16 HG SER 16 -3.199 -3.305 -9.573
102 H TYR 17 H TYR 17 -1.074 -1.130 -6.019
103 HA TYR 17 HA TYR 17 -2.724 -2.590 -4.251
104 HB2 TYR 17 1HB TYR 17 -0.309 -2.800 -4.267
105 HB3 TYR 17 2HB TYR 17 -0.110 -1.112 -3.834
106 HD1 TYR 17 1HD TYR 17 -0.568 -0.295 -1.531
107 HD2 TYR 17 2HD TYR 17 -0.949 -4.471 -2.580
108 HE1 TYR 17 1HE TYR 17 -0.588 -0.888 0.864
109 HE2 TYR 17 2HE TYR 17 -0.952 -5.064 -0.155
110 HH TYR 17 HH TYR 17 -0.586 -2.593 2.398
111 H ALA 18 H ALA 18 -3.951 -2.096 -2.527
112 HA ALA 18 HA ALA 18 -3.689 0.486 -1.207
113 HB1 ALA 18 1HB ALA 18 -6.454 -0.421 -2.092
114 HB2 ALA 18 2HB ALA 18 -5.960 1.143 -1.383
115 HB3 ALA 18 3HB ALA 18 -5.476 0.721 -3.032
116 H SER 19 H SER 19 -4.470 0.532 0.934
117 HA SER 19 HA SER 19 -5.722 -1.889 2.072
118 HB2 SER 19 1HB SER 19 -3.185 -2.111 2.288
119 HB3 SER 19 2HB SER 19 -3.254 -0.738 3.409
120 HG SER 19 HG SER 19 -4.505 -3.295 3.616
121 H ALA 20 H ALA 20 -6.408 -1.579 4.340
122 HA ALA 20 HA ALA 20 -7.672 1.073 4.697
123 HB1 ALA 20 1HB ALA 20 -9.060 -0.113 6.347
124 HB2 ALA 20 2HB ALA 20 -9.083 -0.908 4.770
125 HB3 ALA 20 3HB ALA 20 -8.106 -1.591 6.095
126 H ILE 21 H ILE 21 -4.753 -0.187 5.623
127 HA ILE 21 HA ILE 21 -4.610 1.399 8.156
128 HB ILE 21 HB ILE 21 -3.510 -1.381 7.621
129 HG12 ILE 21 1HG1 ILE 21 -5.594 -0.427 9.636
130 HG13 ILE 21 2HG1 ILE 21 -5.921 -1.365 8.178
131 HG21 ILE 21 1HG2 ILE 21 -1.875 -0.097 8.911
132 HG22 ILE 21 2HG2 ILE 21 -3.131 0.373 10.087
133 HG23 ILE 21 3HG2 ILE 21 -2.597 -1.316 9.917
134 HD11 ILE 21 3HD1 ILE 21 -4.449 -2.335 10.640
135 HD12 ILE 21 1HD1 ILE 21 -5.992 -2.890 9.981
136 HD13 ILE 21 2HD1 ILE 21 -4.490 -3.221 9.093
137 H LYS 22 H LYS 22 -2.912 2.762 8.269
138 HA LYS 22 HA LYS 22 -1.265 3.347 6.029
139 HB2 LYS 22 1HB LYS 22 -1.932 4.883 7.929
140 HB3 LYS 22 2HB LYS 22 -0.733 4.081 8.938
141 HG2 LYS 22 1HG LYS 22 1.036 4.725 7.241
142 HG3 LYS 22 2HG LYS 22 -0.199 5.624 6.354
143 HD2 LYS 22 1HD LYS 22 0.677 6.143 9.234
144 HD3 LYS 22 2HD LYS 22 1.229 7.042 7.814
145 HE2 LYS 22 1HE LYS 22 -1.102 7.769 7.357
146 HE3 LYS 22 2HE LYS 22 -1.657 6.895 8.794
147 HZ1 LYS 22 3HZ LYS 22 -0.237 8.349 10.141
148 HZ2 LYS 22 1HZ LYS 22 -1.289 9.246 9.277
149 HZ3 LYS 22 2HZ LYS 22 0.272 9.157 8.815
150 H ALA 23 H ALA 23 -0.480 1.463 8.953
151 HA ALA 23 HA ALA 23 2.262 1.013 8.431
152 HB1 ALA 23 1HB ALA 23 1.122 0.590 10.587
153 HB2 ALA 23 2HB ALA 23 0.256 -0.786 9.857
154 HB3 ALA 23 3HB ALA 23 2.022 -0.833 10.028
155 H ASN 24 H ASN 24 -0.588 -0.762 7.162
156 HA ASN 24 HA ASN 24 0.900 -2.915 5.949
157 HB2 ASN 24 1HB ASN 24 -1.826 -1.695 5.318
158 HB3 ASN 24 2HB ASN 24 -1.191 -3.135 4.548
159 HD21 ASN 24 1HD2 ASN 24 -3.538 -3.403 5.661
160 HD22 ASN 24 2HD2 ASN 24 -3.412 -4.369 7.136
161 H LEU 25 H LEU 25 -0.145 0.305 4.709
162 HA LEU 25 HA LEU 25 1.094 -0.027 2.134
163 HB2 LEU 25 1HB LEU 25 -0.680 1.617 2.513
164 HB3 LEU 25 2HB LEU 25 0.318 2.470 3.695
165 HG LEU 25 HG LEU 25 1.965 3.035 1.927
166 HD11 LEU 25 1HD1 LEU 25 -0.023 1.687 0.047
167 HD12 LEU 25 2HD1 LEU 25 1.639 1.148 0.376
168 HD13 LEU 25 3HD1 LEU 25 1.375 2.676 -0.446
169 HD21 LEU 25 3HD2 LEU 25 0.100 4.574 2.426
170 HD22 LEU 25 1HD2 LEU 25 -0.850 3.799 1.134
171 HD23 LEU 25 2HD2 LEU 25 0.642 4.671 0.742
172 H ASN 26 H ASN 26 2.308 1.314 5.252
173 HA ASN 26 HA ASN 26 4.825 2.191 4.286
174 HB2 ASN 26 1HB ASN 26 3.829 2.665 6.541
175 HB3 ASN 26 2HB ASN 26 4.189 1.003 7.012
176 HD21 ASN 26 1HD2 ASN 26 5.386 2.176 8.775
177 HD22 ASN 26 2HD2 ASN 26 7.032 2.675 8.414
178 H VAL 27 H VAL 27 3.960 -1.095 5.558
179 HA VAL 27 HA VAL 27 6.527 -2.271 4.987
180 HB VAL 27 HB VAL 27 3.743 -3.489 5.218
181 HG11 VAL 27 1HG1 VAL 27 5.089 -5.103 3.969
182 HG12 VAL 27 2HG1 VAL 27 6.436 -4.917 5.117
183 HG13 VAL 27 3HG1 VAL 27 4.906 -5.663 5.629
184 HG21 VAL 27 3HG2 VAL 27 6.116 -3.447 7.140
185 HG22 VAL 27 1HG2 VAL 27 4.672 -2.427 7.288
186 HG23 VAL 27 2HG2 VAL 27 4.525 -4.180 7.449
187 H HIS 28 H HIS 28 3.599 -1.910 2.912
188 HA HIS 28 HA HIS 28 4.687 -3.374 0.724
189 HB2 HIS 28 1HB HIS 28 2.310 -2.805 0.879
190 HB3 HIS 28 2HB HIS 28 2.677 -1.088 0.772
191 HD1 HIS 28 1HD HIS 28 2.507 -4.188 -1.474
192 HD2 HIS 28 2HD HIS 28 3.326 -0.072 -1.615
193 HE1 HIS 28 1HE HIS 28 2.681 -3.604 -3.940
194 H LEU 29 H LEU 29 4.941 0.106 1.559
195 HA LEU 29 HA LEU 29 6.523 0.882 -0.725
196 HB2 LEU 29 1HB LEU 29 6.222 2.041 2.046
197 HB3 LEU 29 2HB LEU 29 7.195 2.819 0.805
198 HG LEU 29 HG LEU 29 4.325 2.112 0.269
199 HD11 LEU 29 1HD1 LEU 29 3.845 4.485 1.083
200 HD12 LEU 29 2HD1 LEU 29 5.556 4.570 1.613
201 HD13 LEU 29 3HD1 LEU 29 4.451 3.414 2.371
202 HD21 LEU 29 3HD2 LEU 29 4.454 4.114 -1.221
203 HD22 LEU 29 1HD2 LEU 29 5.528 2.813 -1.718
204 HD23 LEU 29 2HD2 LEU 29 6.188 4.234 -0.874
205 H ARG 30 H ARG 30 7.450 -0.453 2.463
206 HA ARG 30 HA ARG 30 10.169 0.182 2.293
207 HB2 ARG 30 1HB ARG 30 8.746 -2.186 3.572
208 HB3 ARG 30 2HB ARG 30 10.499 -2.039 3.645
209 HG2 ARG 30 1HG ARG 30 10.360 0.099 4.789
210 HG3 ARG 30 2HG ARG 30 8.621 0.146 4.622
211 HD2 ARG 30 1HD ARG 30 9.139 -0.510 6.864
212 HD3 ARG 30 2HD ARG 30 8.441 -1.907 6.027
213 HE ARG 30 HE ARG 30 11.313 -1.958 5.827
214 HH11 ARG 30 2HH1 ARG 30 8.839 -2.526 8.244
215 HH12 ARG 30 1HH1 ARG 30 9.834 -3.654 9.126
216 HH21 ARG 30 2HH2 ARG 30 12.524 -3.407 6.999
217 HH22 ARG 30 1HH2 ARG 30 11.866 -4.126 8.439
218 H LYS 31 H LYS 31 8.399 -2.102 0.411
219 HA LYS 31 HA LYS 31 10.698 -3.572 -0.677
220 HB2 LYS 31 1HB LYS 31 7.805 -3.505 -1.618
221 HB3 LYS 31 2HB LYS 31 9.060 -4.621 -2.152
222 HG2 LYS 31 1HG LYS 31 9.266 -5.514 0.162
223 HG3 LYS 31 2HG LYS 31 7.963 -4.434 0.691
224 HD2 LYS 31 1HD LYS 31 6.406 -5.512 -0.911
225 HD3 LYS 31 2HD LYS 31 7.708 -6.610 -1.428
226 HE2 LYS 31 1HE LYS 31 7.916 -7.433 0.921
227 HE3 LYS 31 2HE LYS 31 6.588 -6.371 1.405
228 HZ1 LYS 31 3HZ LYS 31 5.806 -8.630 0.962
229 HZ2 LYS 31 1HZ LYS 31 6.372 -8.590 -0.566
230 HZ3 LYS 31 2HZ LYS 31 5.138 -7.613 -0.126
231 H HIS 32 H HIS 32 8.985 -0.589 -1.456
232 HA HIS 32 HA HIS 32 10.370 -0.341 -4.071
233 HB2 HIS 32 1HB HIS 32 8.542 1.497 -2.487
234 HB3 HIS 32 2HB HIS 32 9.204 1.858 -4.084
235 HD1 HIS 32 1HD HIS 32 8.561 -0.665 -5.741
236 HD2 HIS 32 2HD HIS 32 6.036 0.977 -2.812
237 HE1 HIS 32 1HE HIS 32 6.233 -1.480 -6.307
238 H THR 33 H THR 33 10.521 1.117 -0.783
239 HA THR 33 HA THR 33 12.579 3.013 -1.608
240 HB THR 33 HB THR 33 12.395 3.878 0.679
241 HG1 THR 33 1HG THR 33 10.800 3.017 2.021
242 HG21 THR 33 3HG2 THR 33 10.823 4.659 -1.093
243 HG22 THR 33 1HG2 THR 33 10.106 4.707 0.527
244 HG23 THR 33 2HG2 THR 33 9.662 3.407 -0.598
245 H GLY 34 H GLY 34 12.488 0.524 0.976
246 HA2 GLY 34 1HA GLY 34 15.337 0.796 1.515
247 HA3 GLY 34 2HA GLY 34 14.195 -0.305 2.289
248 H GLU 35 H GLU 35 13.303 -1.819 0.097
249 HA GLU 35 HA GLU 35 15.608 -3.571 -0.286
250 HB2 GLU 35 1HB GLU 35 13.319 -4.378 0.250
251 HB3 GLU 35 2HB GLU 35 12.793 -3.882 -1.365
252 HG2 GLU 35 1HG GLU 35 14.445 -5.424 -2.385
253 HG3 GLU 35 2HG GLU 35 15.036 -5.865 -0.783
254 H LYS 36 H LYS 36 17.094 -3.144 -1.742
255 HA LYS 36 HA LYS 36 16.424 -2.687 -4.595
256 HB2 LYS 36 1HB LYS 36 18.203 -0.896 -2.885
257 HB3 LYS 36 2HB LYS 36 18.352 -1.001 -4.642
258 HG2 LYS 36 1HG LYS 36 16.019 -0.274 -4.933
259 HG3 LYS 36 2HG LYS 36 15.822 -0.154 -3.170
260 HD2 LYS 36 1HD LYS 36 17.465 1.614 -3.019
261 HD3 LYS 36 2HD LYS 36 17.937 1.395 -4.708
262 HE2 LYS 36 1HE LYS 36 16.557 3.378 -4.463
263 HE3 LYS 36 2HE LYS 36 15.770 2.186 -5.497
264 HZ1 LYS 36 3HZ LYS 36 14.269 1.636 -3.724
265 HZ2 LYS 36 1HZ LYS 36 14.297 3.257 -3.809
266 HZ3 LYS 36 2HZ LYS 36 15.115 2.487 -2.611