Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
505701 | 2ytn RC | 11168 | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 H1 GLY 1 H GLY 1 -37.995 10.841 -4.416
2 HA2 GLY 1 1HA GLY 1 -39.070 10.764 -7.093
3 HA3 GLY 1 2HA GLY 1 -39.262 12.322 -6.304
4 H SER 2 H SER 2 -36.623 9.928 -6.350
5 HA SER 2 HA SER 2 -34.909 11.625 -7.891
6 HB2 SER 2 1HB SER 2 -33.192 11.886 -6.060
7 HB3 SER 2 2HB SER 2 -34.654 12.847 -5.842
8 HG SER 2 HG SER 2 -35.392 11.294 -4.370
9 H SER 3 H SER 3 -33.011 10.589 -8.550
10 HA SER 3 HA SER 3 -33.120 7.828 -8.835
11 HB2 SER 3 1HB SER 3 -31.795 9.183 -10.342
12 HB3 SER 3 2HB SER 3 -30.738 9.685 -9.023
13 HG SER 3 HG SER 3 -30.853 7.262 -10.396
14 H GLY 4 H GLY 4 -32.911 6.286 -7.361
15 HA2 GLY 4 1HA GLY 4 -31.654 6.807 -4.818
16 HA3 GLY 4 2HA GLY 4 -32.425 5.309 -5.315
17 H SER 5 H SER 5 -29.697 6.199 -4.116
18 HA SER 5 HA SER 5 -27.868 5.041 -6.061
19 HB2 SER 5 1HB SER 5 -26.107 5.665 -4.472
20 HB3 SER 5 2HB SER 5 -27.170 7.036 -4.790
21 HG SER 5 HG SER 5 -28.294 5.992 -2.783
22 H SER 6 H SER 6 -26.342 3.346 -5.379
23 HA SER 6 HA SER 6 -26.792 1.702 -3.139
24 HB2 SER 6 1HB SER 6 -27.781 -0.269 -4.285
25 HB3 SER 6 2HB SER 6 -28.881 1.108 -4.239
26 HG SER 6 HG SER 6 -28.791 0.107 -6.309
27 H GLY 7 H GLY 7 -25.247 0.087 -2.950
28 HA2 GLY 7 1HA GLY 7 -23.508 -1.314 -3.692
29 HA3 GLY 7 2HA GLY 7 -23.536 -0.490 -5.244
30 H THR 8 H THR 8 -21.884 -0.853 -2.360
31 HA THR 8 HA THR 8 -20.663 1.786 -2.381
32 HB THR 8 HB THR 8 -20.098 -0.611 -0.625
33 HG1 THR 8 HG1 THR 8 -21.528 1.801 -0.099
34 HG21 THR 8 3HG2 THR 8 -18.133 0.707 -0.634
35 HG22 THR 8 1HG2 THR 8 -19.008 1.166 0.827
36 HG23 THR 8 2HG2 THR 8 -19.051 2.212 -0.593
37 H GLY 9 H GLY 9 -19.644 -1.599 -2.823
38 HA2 GLY 9 1HA GLY 9 -17.909 -1.101 -4.944
39 HA3 GLY 9 2HA GLY 9 -16.955 -0.991 -3.472
40 H LYS 10 H LYS 10 -19.112 -3.119 -5.300
41 HA LYS 10 HA LYS 10 -19.093 -5.448 -3.988
42 HB2 LYS 10 1HB LYS 10 -18.708 -4.861 -6.897
43 HB3 LYS 10 2HB LYS 10 -18.613 -6.527 -6.340
44 HG2 LYS 10 1HG LYS 10 -20.889 -5.963 -5.189
45 HG3 LYS 10 2HG LYS 10 -20.945 -4.675 -6.395
46 HD2 LYS 10 1HD LYS 10 -20.308 -6.651 -8.026
47 HD3 LYS 10 2HD LYS 10 -21.045 -7.630 -6.756
48 HE2 LYS 10 1HE LYS 10 -22.470 -5.216 -7.792
49 HE3 LYS 10 2HE LYS 10 -22.500 -6.714 -8.720
50 HZ1 LYS 10 3HZ LYS 10 -23.522 -6.253 -5.980
51 HZ2 LYS 10 1HZ LYS 10 -23.283 -7.806 -6.609
52 HZ3 LYS 10 2HZ LYS 10 -24.386 -6.756 -7.345
53 H LYS 11 H LYS 11 -16.345 -4.273 -5.912
54 HA LYS 11 HA LYS 11 -14.570 -6.287 -5.820
55 HB2 LYS 11 1HB LYS 11 -13.984 -3.394 -5.166
56 HB3 LYS 11 2HB LYS 11 -12.761 -4.590 -5.576
57 HG2 LYS 11 1HG LYS 11 -13.467 -4.734 -7.788
58 HG3 LYS 11 2HG LYS 11 -15.041 -4.020 -7.431
59 HD2 LYS 11 1HD LYS 11 -14.140 -1.863 -7.230
60 HD3 LYS 11 2HD LYS 11 -12.492 -2.474 -7.069
61 HE2 LYS 11 1HE LYS 11 -12.362 -3.021 -9.354
62 HE3 LYS 11 2HE LYS 11 -14.106 -2.885 -9.569
63 HZ1 LYS 11 3HZ LYS 11 -14.005 -0.648 -9.742
64 HZ2 LYS 11 1HZ LYS 11 -12.434 -0.977 -10.277
65 HZ3 LYS 11 2HZ LYS 11 -12.698 -0.494 -8.678
66 HA PRO 12 HA PRO 12 -13.668 -7.427 -1.677
67 HB2 PRO 12 1HB PRO 12 -11.070 -8.183 -1.901
68 HB3 PRO 12 2HB PRO 12 -12.408 -9.138 -2.551
69 HG2 PRO 12 1HG PRO 12 -10.574 -7.241 -3.964
70 HG3 PRO 12 2HG PRO 12 -11.150 -8.836 -4.483
71 HD2 PRO 12 1HD PRO 12 -12.224 -6.527 -5.405
72 HD3 PRO 12 2HD PRO 12 -13.180 -8.008 -5.197
73 H TYR 13 H TYR 13 -10.973 -5.583 -3.124
74 HA TYR 13 HA TYR 13 -11.082 -3.640 -0.996
75 HB2 TYR 13 1HB TYR 13 -8.531 -5.219 -1.333
76 HB3 TYR 13 2HB TYR 13 -8.877 -3.988 -0.124
77 HD1 TYR 13 HD1 TYR 13 -10.320 -4.490 1.787
78 HD2 TYR 13 HD2 TYR 13 -9.344 -7.478 -1.081
79 HE1 TYR 13 HE1 TYR 13 -11.099 -6.229 3.342
80 HE2 TYR 13 HE2 TYR 13 -10.121 -9.225 0.466
81 HH TYR 13 HH TYR 13 -10.334 -9.217 3.292
82 H LYS 14 H LYS 14 -10.784 -1.745 -1.940
83 HA LYS 14 HA LYS 14 -8.971 -1.593 -4.260
84 HB2 LYS 14 1HB LYS 14 -11.415 -1.318 -4.794
85 HB3 LYS 14 2HB LYS 14 -11.409 0.131 -3.797
86 HG2 LYS 14 1HG LYS 14 -9.393 0.768 -5.394
87 HG3 LYS 14 2HG LYS 14 -10.238 -0.339 -6.479
88 HD2 LYS 14 1HD LYS 14 -11.229 1.678 -7.007
89 HD3 LYS 14 2HD LYS 14 -12.342 1.044 -5.793
90 HE2 LYS 14 1HE LYS 14 -10.819 2.345 -4.125
91 HE3 LYS 14 2HE LYS 14 -10.328 3.241 -5.562
92 HZ1 LYS 14 3HZ LYS 14 -12.095 4.467 -4.780
93 HZ2 LYS 14 1HZ LYS 14 -12.972 3.112 -4.274
94 HZ3 LYS 14 2HZ LYS 14 -12.858 3.479 -5.921
95 H CYS 15 H CYS 15 -7.761 0.335 -4.515
96 HA CYS 15 HA CYS 15 -7.109 1.600 -1.976
97 HB2 CYS 15 1HB CYS 15 -5.400 0.681 -3.671
98 HB3 CYS 15 2HB CYS 15 -5.745 2.131 -4.607
99 H ASN 16 H ASN 16 -8.423 3.237 -1.447
100 HA ASN 16 HA ASN 16 -9.825 4.868 -3.248
101 HB2 ASN 16 1HB ASN 16 -9.033 5.793 -0.498
102 HB3 ASN 16 2HB ASN 16 -10.526 6.106 -1.379
103 HD21 ASN 16 1HD2 ASN 16 -10.253 5.101 1.286
104 HD22 ASN 16 2HD2 ASN 16 -10.989 3.538 1.317
105 H GLU 17 H GLU 17 -6.554 4.790 -2.584
106 HA GLU 17 HA GLU 17 -6.041 7.617 -2.895
107 HB2 GLU 17 1HB GLU 17 -4.214 5.216 -2.773
108 HB3 GLU 17 2HB GLU 17 -3.637 6.866 -2.964
109 HG2 GLU 17 1HG GLU 17 -4.150 7.447 -0.818
110 HG3 GLU 17 2HG GLU 17 -5.446 6.258 -0.688
111 H CYS 18 H CYS 18 -5.377 4.682 -4.803
112 HA CYS 18 HA CYS 18 -5.122 6.396 -7.186
113 HB2 CYS 18 1HB CYS 18 -3.847 4.454 -8.162
114 HB3 CYS 18 2HB CYS 18 -3.056 5.253 -6.807
115 H GLY 19 H GLY 19 -6.294 3.222 -6.080
116 HA2 GLY 19 1HA GLY 19 -8.711 2.856 -6.725
117 HA3 GLY 19 2HA GLY 19 -8.177 3.237 -8.355
118 H LYS 20 H LYS 20 -5.685 1.630 -6.953
119 HA LYS 20 HA LYS 20 -6.019 -0.688 -8.522
120 HB2 LYS 20 1HB LYS 20 -3.879 0.412 -7.447
121 HB3 LYS 20 2HB LYS 20 -4.233 -0.690 -6.123
122 HG2 LYS 20 1HG LYS 20 -3.928 -2.585 -7.476
123 HG3 LYS 20 2HG LYS 20 -3.987 -1.633 -8.961
124 HD2 LYS 20 1HD LYS 20 -1.892 -0.480 -8.182
125 HD3 LYS 20 2HD LYS 20 -1.805 -1.671 -6.882
126 HE2 LYS 20 1HE LYS 20 -0.419 -2.525 -8.568
127 HE3 LYS 20 2HE LYS 20 -1.922 -3.435 -8.720
128 HZ1 LYS 20 3HZ LYS 20 -0.635 -1.853 -10.651
129 HZ2 LYS 20 1HZ LYS 20 -2.145 -1.165 -10.320
130 HZ3 LYS 20 2HZ LYS 20 -2.041 -2.779 -10.815
131 H VAL 21 H VAL 21 -6.676 -2.744 -8.037
132 HA VAL 21 HA VAL 21 -8.024 -3.084 -5.440
133 HB VAL 21 HB VAL 21 -8.624 -4.541 -8.017
134 HG11 VAL 21 1HG1 VAL 21 -10.530 -4.393 -5.748
135 HG12 VAL 21 2HG1 VAL 21 -10.258 -5.685 -6.919
136 HG13 VAL 21 3HG1 VAL 21 -9.136 -5.459 -5.577
137 HG21 VAL 21 3HG2 VAL 21 -10.459 -2.531 -6.791
138 HG22 VAL 21 1HG2 VAL 21 -9.124 -1.983 -7.805
139 HG23 VAL 21 2HG2 VAL 21 -10.343 -3.074 -8.465
140 H PHE 22 H PHE 22 -7.657 -4.898 -4.229
141 HA PHE 22 HA PHE 22 -5.793 -6.902 -5.288
142 HB2 PHE 22 1HB PHE 22 -5.524 -5.866 -2.475
143 HB3 PHE 22 2HB PHE 22 -4.368 -6.805 -3.414
144 HD1 PHE 22 HD2 PHE 22 -6.075 -3.498 -3.385
145 HD2 PHE 22 HD1 PHE 22 -2.616 -5.732 -4.461
146 HE1 PHE 22 HE2 PHE 22 -4.949 -1.420 -4.068
147 HE2 PHE 22 HE1 PHE 22 -1.484 -3.657 -5.144
148 HZ PHE 22 HZ PHE 22 -2.651 -1.497 -4.949
149 H THR 23 H THR 23 -6.869 -8.756 -5.241
150 HA THR 23 HA THR 23 -9.174 -9.461 -4.083
151 HB THR 23 HB THR 23 -6.805 -11.339 -4.094
152 HG1 THR 23 HG1 THR 23 -6.903 -11.232 -6.198
153 HG21 THR 23 3HG2 THR 23 -9.652 -12.076 -4.658
154 HG22 THR 23 1HG2 THR 23 -9.087 -11.937 -2.994
155 HG23 THR 23 2HG2 THR 23 -8.327 -13.091 -4.090
156 H GLN 24 H GLN 24 -6.030 -9.567 -2.447
157 HA GLN 24 HA GLN 24 -7.412 -10.113 0.087
158 HB2 GLN 24 1HB GLN 24 -4.608 -10.578 -0.867
159 HB3 GLN 24 2HB GLN 24 -4.945 -10.471 0.856
160 HG2 GLN 24 1HG GLN 24 -6.739 -12.256 0.397
161 HG3 GLN 24 2HG GLN 24 -5.879 -12.511 -1.120
162 HE21 GLN 24 1HE2 GLN 24 -6.264 -14.129 1.403
163 HE22 GLN 24 2HE2 GLN 24 -4.667 -14.624 1.835
164 H ASN 25 H ASN 25 -7.548 -8.597 1.615
165 HA ASN 25 HA ASN 25 -7.003 -5.928 1.180
166 HB2 ASN 25 1HB ASN 25 -8.452 -6.196 2.938
167 HB3 ASN 25 2HB ASN 25 -7.570 -7.571 3.596
168 HD21 ASN 25 1HD2 ASN 25 -7.654 -4.085 3.337
169 HD22 ASN 25 2HD2 ASN 25 -6.654 -3.767 4.710
170 H SER 26 H SER 26 -5.017 -8.320 2.889
171 HA SER 26 HA SER 26 -3.012 -6.764 3.895
172 HB2 SER 26 1HB SER 26 -2.814 -9.478 2.576
173 HB3 SER 26 2HB SER 26 -1.488 -8.733 3.469
174 HG SER 26 HG SER 26 -2.690 -8.827 5.324
175 H HIS 27 H HIS 27 -3.292 -7.957 0.567
176 HA HIS 27 HA HIS 27 -0.865 -6.944 -0.398
177 HB2 HIS 27 1HB HIS 27 -3.447 -7.775 -1.643
178 HB3 HIS 27 2HB HIS 27 -2.297 -6.879 -2.632
179 HD2 HIS 27 HD2 HIS 27 -1.225 -9.702 -0.105
180 HE1 HIS 27 HE1 HIS 27 -0.282 -10.925 -4.056
181 HE2 HIS 27 HE2 HIS 27 -0.174 -11.523 -1.612
182 H LEU 28 H LEU 28 -4.023 -5.447 -0.016
183 HA LEU 28 HA LEU 28 -3.354 -3.060 -1.439
184 HB2 LEU 28 1HB LEU 28 -5.641 -3.582 -1.331
185 HB3 LEU 28 2HB LEU 28 -5.585 -3.837 0.412
186 HG LEU 28 HG LEU 28 -5.281 -1.411 0.731
187 HD11 LEU 28 1HD1 LEU 28 -5.921 -1.077 -2.182
188 HD12 LEU 28 2HD1 LEU 28 -4.261 -1.113 -1.587
189 HD13 LEU 28 3HD1 LEU 28 -5.372 0.135 -1.024
190 HD21 LEU 28 3HD2 LEU 28 -7.603 -0.789 -0.241
191 HD22 LEU 28 1HD2 LEU 28 -7.491 -2.047 0.991
192 HD23 LEU 28 2HD2 LEU 28 -7.673 -2.489 -0.707
193 H ALA 29 H ALA 29 -3.887 -3.705 2.031
194 HA ALA 29 HA ALA 29 -3.214 -1.300 3.112
195 HB1 ALA 29 3HB ALA 29 -3.858 -2.775 4.724
196 HB2 ALA 29 1HB ALA 29 -2.910 -4.100 4.049
197 HB3 ALA 29 2HB ALA 29 -2.114 -2.827 4.976
198 H ARG 30 H ARG 30 -0.924 -3.891 2.263
199 HA ARG 30 HA ARG 30 1.392 -2.442 3.009
200 HB2 ARG 30 1HB ARG 30 2.640 -4.186 1.933
201 HB3 ARG 30 2HB ARG 30 1.268 -4.925 2.749
202 HG2 ARG 30 1HG ARG 30 0.093 -5.171 0.672
203 HG3 ARG 30 2HG ARG 30 1.342 -4.268 -0.187
204 HD2 ARG 30 1HD ARG 30 2.924 -6.115 0.757
205 HD3 ARG 30 2HD ARG 30 1.431 -7.034 0.939
206 HE ARG 30 HE ARG 30 1.276 -6.217 -1.609
207 HH11 ARG 30 1HH1 ARG 30 3.845 -7.717 0.200
208 HH12 ARG 30 2HH1 ARG 30 4.516 -8.528 -1.176
209 HH21 ARG 30 1HH2 ARG 30 2.151 -7.280 -3.428
210 HH22 ARG 30 2HH2 ARG 30 3.552 -8.278 -3.239
211 H HIS 31 H HIS 31 -0.428 -2.716 0.020
212 HA HIS 31 HA HIS 31 1.460 -1.512 -1.693
213 HB2 HIS 31 1HB HIS 31 -0.177 -2.533 -2.926
214 HB3 HIS 31 2HB HIS 31 -1.455 -2.088 -1.798
215 HD1 HIS 31 HD1 HIS 31 0.449 -0.801 -4.757
216 HD2 HIS 31 HD2 HIS 31 -2.731 0.331 -2.334
217 HE1 HIS 31 HE1 HIS 31 -0.631 1.145 -5.929
218 H ARG 32 H ARG 32 -1.367 -0.137 -0.017
219 HA ARG 32 HA ARG 32 -1.408 2.422 -0.802
220 HB2 ARG 32 1HB ARG 32 -1.461 1.553 2.094
221 HB3 ARG 32 2HB ARG 32 -2.083 3.074 1.470
222 HG2 ARG 32 1HG ARG 32 -3.836 2.000 0.316
223 HG3 ARG 32 2HG ARG 32 -3.104 0.409 0.538
224 HD2 ARG 32 1HD ARG 32 -4.694 0.343 2.178
225 HD3 ARG 32 2HD ARG 32 -3.350 1.031 3.087
226 HE ARG 32 HE ARG 32 -5.094 2.972 1.855
227 HH11 ARG 32 1HH1 ARG 32 -4.432 1.054 4.683
228 HH12 ARG 32 2HH1 ARG 32 -5.311 2.093 5.755
229 HH21 ARG 32 1HH2 ARG 32 -6.255 4.349 3.255
230 HH22 ARG 32 2HH2 ARG 32 -6.348 3.967 4.941
231 H GLY 33 H GLY 33 1.160 0.927 1.016
232 HA2 GLY 33 1HA GLY 33 2.478 3.114 2.083
233 HA3 GLY 33 2HA GLY 33 3.280 1.658 1.512
234 H ILE 34 H ILE 34 2.807 1.770 -1.192
235 HA ILE 34 HA ILE 34 4.847 3.287 -2.186
236 HB ILE 34 HB ILE 34 3.916 3.024 -4.389
237 HG12 ILE 34 1HG1 ILE 34 1.350 1.911 -3.350
238 HG13 ILE 34 2HG1 ILE 34 1.532 3.661 -3.401
239 HG21 ILE 34 1HG2 ILE 34 2.952 0.503 -3.868
240 HG22 ILE 34 2HG2 ILE 34 4.647 0.938 -4.076
241 HG23 ILE 34 3HG2 ILE 34 3.953 0.846 -2.458
242 HD11 ILE 34 3HD1 ILE 34 1.257 1.715 -5.598
243 HD12 ILE 34 1HD1 ILE 34 0.653 3.365 -5.454
244 HD13 ILE 34 2HD1 ILE 34 2.342 3.077 -5.875
245 H HIS 35 H HIS 35 1.750 4.382 -1.184
246 HA HIS 35 HA HIS 35 1.907 6.881 -2.653
247 HB2 HIS 35 1HB HIS 35 -0.083 5.839 -0.630
248 HB3 HIS 35 2HB HIS 35 -0.207 7.415 -1.406
249 HD1 HIS 35 HD1 HIS 35 0.122 6.962 -4.269
250 HD2 HIS 35 HD2 HIS 35 -1.772 4.150 -1.868
251 HE1 HIS 35 HE1 HIS 35 -1.295 5.591 -5.830
252 H THR 36 H THR 36 1.470 6.126 0.807
253 HA THR 36 HA THR 36 2.141 8.604 1.820
254 HB THR 36 HB THR 36 2.835 7.369 3.913
255 HG1 THR 36 HG1 THR 36 1.934 5.046 2.560
256 HG21 THR 36 3HG2 THR 36 0.213 7.066 2.535
257 HG22 THR 36 1HG2 THR 36 0.616 7.943 4.010
258 HG23 THR 36 2HG2 THR 36 0.473 6.186 4.041
259 H GLY 37 H GLY 37 4.066 9.391 2.865
260 HA2 GLY 37 1HA GLY 37 6.386 9.465 3.239
261 HA3 GLY 37 2HA GLY 37 6.582 8.092 2.159
262 H GLU 38 H GLU 38 8.401 9.819 1.680
263 HA GLU 38 HA GLU 38 9.322 11.307 0.219
264 HB2 GLU 38 1HB GLU 38 7.121 10.157 -1.500
265 HB3 GLU 38 2HB GLU 38 8.404 11.188 -2.117
266 HG2 GLU 38 1HG GLU 38 10.066 9.544 -1.382
267 HG3 GLU 38 2HG GLU 38 8.765 8.504 -0.804
268 H LYS 39 H LYS 39 7.716 12.572 2.015
269 HA LYS 39 HA LYS 39 6.475 14.685 0.381
270 HB2 LYS 39 1HB LYS 39 4.728 13.407 1.517
271 HB3 LYS 39 2HB LYS 39 5.531 13.654 3.062
272 HG2 LYS 39 1HG LYS 39 3.771 15.196 3.022
273 HG3 LYS 39 2HG LYS 39 5.219 16.139 2.662
274 HD2 LYS 39 1HD LYS 39 4.695 16.163 0.321
275 HD3 LYS 39 2HD LYS 39 3.360 15.033 0.560
276 HE2 LYS 39 1HE LYS 39 2.390 16.819 2.125
277 HE3 LYS 39 2HE LYS 39 3.560 17.913 1.387
278 HZ1 LYS 39 3HZ LYS 39 1.130 17.575 0.428
279 HZ2 LYS 39 1HZ LYS 39 1.905 16.335 -0.422
280 HZ3 LYS 39 2HZ LYS 39 2.451 17.929 -0.568
281 HA PRO 40 HA PRO 40 9.889 16.448 2.981
282 HB2 PRO 40 1HB PRO 40 10.930 17.972 0.990
283 HB3 PRO 40 2HB PRO 40 11.387 16.284 1.246
284 HG2 PRO 40 1HG PRO 40 9.444 17.443 -0.713
285 HG3 PRO 40 2HG PRO 40 10.660 16.176 -0.960
286 HD2 PRO 40 1HD PRO 40 8.036 15.624 -0.580
287 HD3 PRO 40 2HD PRO 40 9.330 14.543 -0.024
288 H SER 41 H SER 41 10.271 18.706 3.535
289 HA SER 41 HA SER 41 7.907 20.380 2.998
290 HB2 SER 41 1HB SER 41 9.650 20.124 5.446
291 HB3 SER 41 2HB SER 41 8.584 21.507 5.200
292 HG SER 41 HG SER 41 7.956 18.832 5.706
293 H GLY 42 H GLY 42 8.958 21.188 1.075
294 HA2 GLY 42 1HA GLY 42 10.088 22.831 -0.061
295 HA3 GLY 42 2HA GLY 42 10.257 23.653 1.483
296 HA PRO 43 HA PRO 43 14.508 22.561 0.088
297 HB2 PRO 43 1HB PRO 43 15.616 24.893 0.927
298 HB3 PRO 43 2HB PRO 43 14.844 24.709 -0.652
299 HG2 PRO 43 1HG PRO 43 13.743 25.890 1.869
300 HG3 PRO 43 2HG PRO 43 13.603 26.481 0.203
301 HD2 PRO 43 1HD PRO 43 11.611 25.126 1.440
302 HD3 PRO 43 2HD PRO 43 11.900 25.013 -0.308
303 H SER 44 H SER 44 16.308 21.997 1.336
304 HA SER 44 HA SER 44 15.737 21.656 4.171
305 HB2 SER 44 1HB SER 44 16.504 19.668 3.098
306 HB3 SER 44 2HB SER 44 17.855 20.515 2.345
307 HG SER 44 HG SER 44 17.501 19.843 5.069
308 H SER 45 H SER 45 18.513 22.750 2.214
309 HA SER 45 HA SER 45 20.117 24.318 2.596
310 HB2 SER 45 1HB SER 45 18.004 25.690 3.135
311 HB3 SER 45 2HB SER 45 18.428 25.435 4.828
312 HG SER 45 HG SER 45 19.961 26.857 4.638
313 H GLY 46 H GLY 46 20.405 21.836 3.830
314 HA2 GLY 46 1HA GLY 46 22.060 22.613 6.121
315 HA3 GLY 46 2HA GLY 46 20.856 21.357 6.365
Start of MODEL 2
1 H1 GLY 1 H GLY 1 -28.222 5.953 0.710
2 HA2 GLY 1 1HA GLY 1 -30.454 5.350 -0.812
3 HA3 GLY 1 2HA GLY 1 -29.948 6.982 -0.401
4 H SER 2 H SER 2 -28.269 4.612 -2.425
5 HA SER 2 HA SER 2 -28.914 6.148 -4.819
6 HB2 SER 2 1HB SER 2 -26.052 5.616 -3.984
7 HB3 SER 2 2HB SER 2 -26.576 6.415 -5.466
8 HG SER 2 HG SER 2 -26.531 8.180 -4.344
9 H SER 3 H SER 3 -28.215 5.052 -6.807
10 HA SER 3 HA SER 3 -28.161 2.132 -6.427
11 HB2 SER 3 1HB SER 3 -29.450 3.874 -8.507
12 HB3 SER 3 2HB SER 3 -29.055 2.196 -8.876
13 HG SER 3 HG SER 3 -30.843 3.214 -6.947
14 H GLY 4 H GLY 4 -27.138 4.616 -8.781
15 HA2 GLY 4 1HA GLY 4 -25.427 4.512 -10.352
16 HA3 GLY 4 2HA GLY 4 -24.486 4.272 -8.887
17 H SER 5 H SER 5 -26.759 2.149 -10.615
18 HA SER 5 HA SER 5 -24.827 -0.018 -10.426
19 HB2 SER 5 1HB SER 5 -27.330 -0.251 -9.925
20 HB3 SER 5 2HB SER 5 -27.571 -0.181 -11.670
21 HG SER 5 HG SER 5 -25.935 -2.056 -10.302
22 H SER 6 H SER 6 -23.948 1.985 -12.106
23 HA SER 6 HA SER 6 -24.330 0.848 -14.797
24 HB2 SER 6 1HB SER 6 -24.980 3.225 -14.578
25 HB3 SER 6 2HB SER 6 -23.345 3.611 -14.042
26 HG SER 6 HG SER 6 -22.590 2.892 -16.072
27 H GLY 7 H GLY 7 -22.736 -0.465 -15.377
28 HA2 GLY 7 1HA GLY 7 -20.505 -0.844 -16.066
29 HA3 GLY 7 2HA GLY 7 -19.972 0.399 -14.945
30 H THR 8 H THR 8 -18.740 -0.423 -13.404
31 HA THR 8 HA THR 8 -19.600 -2.905 -12.090
32 HB THR 8 HB THR 8 -17.825 -3.538 -13.651
33 HG1 THR 8 HG1 THR 8 -16.968 -4.797 -12.162
34 HG21 THR 8 3HG2 THR 8 -15.863 -1.869 -12.128
35 HG22 THR 8 1HG2 THR 8 -16.768 -1.159 -13.464
36 HG23 THR 8 2HG2 THR 8 -15.729 -2.556 -13.747
37 H GLY 9 H GLY 9 -18.565 -3.225 -9.957
38 HA2 GLY 9 1HA GLY 9 -17.228 -1.024 -8.697
39 HA3 GLY 9 2HA GLY 9 -18.922 -1.120 -8.238
40 H LYS 10 H LYS 10 -19.363 -3.794 -8.036
41 HA LYS 10 HA LYS 10 -18.634 -4.478 -5.515
42 HB2 LYS 10 1HB LYS 10 -18.906 -6.901 -6.279
43 HB3 LYS 10 2HB LYS 10 -20.265 -5.820 -6.556
44 HG2 LYS 10 1HG LYS 10 -19.391 -5.507 -8.898
45 HG3 LYS 10 2HG LYS 10 -18.271 -6.830 -8.564
46 HD2 LYS 10 1HD LYS 10 -21.222 -7.143 -8.124
47 HD3 LYS 10 2HD LYS 10 -20.507 -7.378 -9.720
48 HE2 LYS 10 1HE LYS 10 -20.426 -9.519 -8.910
49 HE3 LYS 10 2HE LYS 10 -18.849 -8.925 -8.392
50 HZ1 LYS 10 3HZ LYS 10 -21.195 -9.592 -6.803
51 HZ2 LYS 10 1HZ LYS 10 -20.304 -8.248 -6.293
52 HZ3 LYS 10 2HZ LYS 10 -19.553 -9.757 -6.432
53 H LYS 11 H LYS 11 -16.596 -4.241 -4.782
54 HA LYS 11 HA LYS 11 -14.564 -6.024 -5.915
55 HB2 LYS 11 1HB LYS 11 -14.210 -3.082 -5.339
56 HB3 LYS 11 2HB LYS 11 -12.860 -4.191 -5.546
57 HG2 LYS 11 1HG LYS 11 -14.936 -4.076 -7.671
58 HG3 LYS 11 2HG LYS 11 -13.774 -2.752 -7.545
59 HD2 LYS 11 1HD LYS 11 -12.638 -4.145 -8.962
60 HD3 LYS 11 2HD LYS 11 -12.045 -4.741 -7.410
61 HE2 LYS 11 1HE LYS 11 -13.359 -6.649 -7.497
62 HE3 LYS 11 2HE LYS 11 -14.496 -5.935 -8.640
63 HZ1 LYS 11 3HZ LYS 11 -13.046 -6.265 -10.405
64 HZ2 LYS 11 1HZ LYS 11 -12.867 -7.681 -9.497
65 HZ3 LYS 11 2HZ LYS 11 -11.695 -6.465 -9.407
66 HA PRO 12 HA PRO 12 -13.849 -7.101 -1.712
67 HB2 PRO 12 1HB PRO 12 -11.293 -7.997 -1.893
68 HB3 PRO 12 2HB PRO 12 -12.675 -8.903 -2.521
69 HG2 PRO 12 1HG PRO 12 -10.737 -7.150 -3.982
70 HG3 PRO 12 2HG PRO 12 -11.393 -8.729 -4.453
71 HD2 PRO 12 1HD PRO 12 -12.340 -6.400 -5.457
72 HD3 PRO 12 2HD PRO 12 -13.373 -7.822 -5.208
73 H TYR 13 H TYR 13 -11.056 -5.446 -3.201
74 HA TYR 13 HA TYR 13 -11.056 -3.484 -1.064
75 HB2 TYR 13 1HB TYR 13 -8.551 -5.089 -1.580
76 HB3 TYR 13 2HB TYR 13 -8.814 -3.881 -0.327
77 HD1 TYR 13 HD1 TYR 13 -10.339 -4.401 1.580
78 HD2 TYR 13 HD2 TYR 13 -9.189 -7.355 -1.258
79 HE1 TYR 13 HE1 TYR 13 -11.048 -6.166 3.139
80 HE2 TYR 13 HE2 TYR 13 -9.896 -9.128 0.293
81 HH TYR 13 HH TYR 13 -11.355 -9.440 2.191
82 H LYS 14 H LYS 14 -10.979 -1.636 -2.141
83 HA LYS 14 HA LYS 14 -9.210 -1.444 -4.490
84 HB2 LYS 14 1HB LYS 14 -11.461 -1.175 -5.227
85 HB3 LYS 14 2HB LYS 14 -11.838 -0.089 -3.896
86 HG2 LYS 14 1HG LYS 14 -10.050 1.449 -4.932
87 HG3 LYS 14 2HG LYS 14 -10.247 0.447 -6.372
88 HD2 LYS 14 1HD LYS 14 -12.656 0.939 -6.366
89 HD3 LYS 14 2HD LYS 14 -12.432 1.968 -4.949
90 HE2 LYS 14 1HE LYS 14 -10.737 3.246 -6.382
91 HE3 LYS 14 2HE LYS 14 -11.438 2.387 -7.753
92 HZ1 LYS 14 3HZ LYS 14 -13.641 3.276 -6.958
93 HZ2 LYS 14 1HZ LYS 14 -12.575 4.419 -7.605
94 HZ3 LYS 14 2HZ LYS 14 -12.772 4.300 -5.930
95 H CYS 15 H CYS 15 -7.887 0.345 -4.707
96 HA CYS 15 HA CYS 15 -7.229 1.691 -2.233
97 HB2 CYS 15 1HB CYS 15 -5.550 0.769 -3.936
98 HB3 CYS 15 2HB CYS 15 -5.947 2.177 -4.917
99 H ASN 16 H ASN 16 -8.150 3.527 -1.633
100 HA ASN 16 HA ASN 16 -9.728 5.094 -3.434
101 HB2 ASN 16 1HB ASN 16 -10.544 5.018 -1.225
102 HB3 ASN 16 2HB ASN 16 -8.962 5.373 -0.536
103 HD21 ASN 16 1HD2 ASN 16 -8.388 7.436 -0.188
104 HD22 ASN 16 2HD2 ASN 16 -9.366 8.804 -0.583
105 H GLU 17 H GLU 17 -6.501 4.880 -3.150
106 HA GLU 17 HA GLU 17 -5.963 7.744 -3.423
107 HB2 GLU 17 1HB GLU 17 -4.292 5.340 -2.832
108 HB3 GLU 17 2HB GLU 17 -3.522 6.739 -3.568
109 HG2 GLU 17 1HG GLU 17 -3.768 8.032 -1.714
110 HG3 GLU 17 2HG GLU 17 -5.227 7.195 -1.187
111 H CYS 18 H CYS 18 -5.200 4.702 -5.119
112 HA CYS 18 HA CYS 18 -4.797 6.255 -7.582
113 HB2 CYS 18 1HB CYS 18 -3.673 4.187 -8.425
114 HB3 CYS 18 2HB CYS 18 -2.883 4.904 -7.025
115 H GLY 19 H GLY 19 -6.506 3.468 -6.240
116 HA2 GLY 19 1HA GLY 19 -8.818 3.131 -6.933
117 HA3 GLY 19 2HA GLY 19 -8.335 3.607 -8.554
118 H LYS 20 H LYS 20 -6.029 1.653 -7.047
119 HA LYS 20 HA LYS 20 -6.490 -0.485 -8.889
120 HB2 LYS 20 1HB LYS 20 -4.266 0.405 -7.755
121 HB3 LYS 20 2HB LYS 20 -4.669 -0.806 -6.545
122 HG2 LYS 20 1HG LYS 20 -4.544 -2.561 -8.131
123 HG3 LYS 20 2HG LYS 20 -4.470 -1.425 -9.480
124 HD2 LYS 20 1HD LYS 20 -2.310 -0.574 -8.474
125 HD3 LYS 20 2HD LYS 20 -2.367 -1.970 -7.395
126 HE2 LYS 20 1HE LYS 20 -2.621 -2.356 -10.348
127 HE3 LYS 20 2HE LYS 20 -1.031 -2.098 -9.631
128 HZ1 LYS 20 3HZ LYS 20 -1.224 -4.035 -8.353
129 HZ2 LYS 20 1HZ LYS 20 -1.789 -4.478 -9.885
130 HZ3 LYS 20 2HZ LYS 20 -2.886 -4.176 -8.635
131 H VAL 21 H VAL 21 -6.439 -2.812 -8.034
132 HA VAL 21 HA VAL 21 -8.107 -3.106 -5.634
133 HB VAL 21 HB VAL 21 -8.655 -4.562 -8.222
134 HG11 VAL 21 1HG1 VAL 21 -10.590 -4.424 -5.975
135 HG12 VAL 21 2HG1 VAL 21 -10.306 -5.710 -7.149
136 HG13 VAL 21 3HG1 VAL 21 -9.196 -5.488 -5.797
137 HG21 VAL 21 3HG2 VAL 21 -10.853 -3.155 -7.958
138 HG22 VAL 21 1HG2 VAL 21 -9.798 -2.067 -7.057
139 HG23 VAL 21 2HG2 VAL 21 -9.432 -2.460 -8.737
140 H PHE 22 H PHE 22 -7.753 -4.943 -4.445
141 HA PHE 22 HA PHE 22 -5.794 -6.872 -5.482
142 HB2 PHE 22 1HB PHE 22 -5.737 -5.825 -2.650
143 HB3 PHE 22 2HB PHE 22 -4.549 -6.859 -3.438
144 HD1 PHE 22 HD2 PHE 22 -6.072 -3.473 -3.658
145 HD2 PHE 22 HD1 PHE 22 -2.675 -5.923 -4.414
146 HE1 PHE 22 HE2 PHE 22 -4.789 -1.482 -4.323
147 HE2 PHE 22 HE1 PHE 22 -1.386 -3.935 -5.080
148 HZ PHE 22 HZ PHE 22 -2.443 -1.711 -5.036
149 H THR 23 H THR 23 -6.565 -8.865 -5.385
150 HA THR 23 HA THR 23 -9.005 -9.635 -4.401
151 HB THR 23 HB THR 23 -7.855 -11.110 -5.883
152 HG1 THR 23 HG1 THR 23 -9.162 -12.300 -4.555
153 HG21 THR 23 3HG2 THR 23 -5.869 -12.241 -4.126
154 HG22 THR 23 1HG2 THR 23 -5.603 -10.511 -4.330
155 HG23 THR 23 2HG2 THR 23 -5.676 -11.564 -5.742
156 H GLN 24 H GLN 24 -6.069 -9.133 -2.645
157 HA GLN 24 HA GLN 24 -7.417 -10.043 -0.190
158 HB2 GLN 24 1HB GLN 24 -4.483 -10.283 -0.874
159 HB3 GLN 24 2HB GLN 24 -5.177 -10.646 0.701
160 HG2 GLN 24 1HG GLN 24 -6.593 -12.373 -0.393
161 HG3 GLN 24 2HG GLN 24 -5.714 -12.072 -1.891
162 HE21 GLN 24 1HE2 GLN 24 -5.413 -14.477 -1.453
163 HE22 GLN 24 2HE2 GLN 24 -3.984 -14.917 -0.588
164 H ASN 25 H ASN 25 -7.440 -8.651 1.487
165 HA ASN 25 HA ASN 25 -6.952 -5.939 1.112
166 HB2 ASN 25 1HB ASN 25 -8.398 -6.261 2.859
167 HB3 ASN 25 2HB ASN 25 -7.530 -7.671 3.459
168 HD21 ASN 25 1HD2 ASN 25 -7.612 -4.181 3.372
169 HD22 ASN 25 2HD2 ASN 25 -6.602 -3.930 4.751
170 H SER 26 H SER 26 -5.014 -8.310 2.930
171 HA SER 26 HA SER 26 -3.005 -6.785 3.913
172 HB2 SER 26 1HB SER 26 -3.126 -9.230 4.195
173 HB3 SER 26 2HB SER 26 -2.631 -9.447 2.516
174 HG SER 26 HG SER 26 -0.909 -9.599 4.105
175 H HIS 27 H HIS 27 -3.338 -7.862 0.563
176 HA HIS 27 HA HIS 27 -0.862 -6.853 -0.354
177 HB2 HIS 27 1HB HIS 27 -3.409 -7.722 -1.659
178 HB3 HIS 27 2HB HIS 27 -2.217 -6.850 -2.618
179 HD2 HIS 27 HD2 HIS 27 -1.046 -9.509 -0.002
180 HE1 HIS 27 HE1 HIS 27 -0.331 -11.023 -3.900
181 HE2 HIS 27 HE2 HIS 27 -0.062 -11.429 -1.429
182 H LEU 28 H LEU 28 -4.044 -5.423 0.019
183 HA LEU 28 HA LEU 28 -3.417 -3.029 -1.424
184 HB2 LEU 28 1HB LEU 28 -5.689 -3.582 -1.364
185 HB3 LEU 28 2HB LEU 28 -5.662 -3.876 0.373
186 HG LEU 28 HG LEU 28 -5.426 -1.453 0.756
187 HD11 LEU 28 1HD1 LEU 28 -5.902 -1.154 -2.202
188 HD12 LEU 28 2HD1 LEU 28 -4.326 -0.977 -1.433
189 HD13 LEU 28 3HD1 LEU 28 -5.637 0.127 -1.019
190 HD21 LEU 28 3HD2 LEU 28 -7.638 -2.518 0.738
191 HD22 LEU 28 1HD2 LEU 28 -7.777 -2.181 -0.988
192 HD23 LEU 28 2HD2 LEU 28 -7.703 -0.850 0.167
193 H ALA 29 H ALA 29 -3.812 -3.804 2.029
194 HA ALA 29 HA ALA 29 -3.253 -1.323 3.108
195 HB1 ALA 29 3HB ALA 29 -2.840 -4.111 4.106
196 HB2 ALA 29 1HB ALA 29 -2.281 -2.734 5.057
197 HB3 ALA 29 2HB ALA 29 -3.990 -2.886 4.645
198 H ARG 30 H ARG 30 -0.975 -3.887 2.192
199 HA ARG 30 HA ARG 30 1.340 -2.446 3.021
200 HB2 ARG 30 1HB ARG 30 2.603 -4.211 2.044
201 HB3 ARG 30 2HB ARG 30 1.176 -4.947 2.760
202 HG2 ARG 30 1HG ARG 30 0.122 -5.004 0.533
203 HG3 ARG 30 2HG ARG 30 1.607 -4.347 -0.158
204 HD2 ARG 30 1HD ARG 30 1.796 -6.786 1.532
205 HD3 ARG 30 2HD ARG 30 1.131 -6.948 -0.092
206 HE ARG 30 HE ARG 30 3.870 -6.438 0.618
207 HH11 ARG 30 1HH1 ARG 30 1.447 -6.137 -1.864
208 HH12 ARG 30 2HH1 ARG 30 2.595 -6.068 -3.159
209 HH21 ARG 30 1HH2 ARG 30 5.392 -6.348 -1.079
210 HH22 ARG 30 2HH2 ARG 30 4.839 -6.190 -2.711
211 H HIS 31 H HIS 31 -0.548 -2.582 0.104
212 HA HIS 31 HA HIS 31 1.388 -1.487 -1.657
213 HB2 HIS 31 1HB HIS 31 -0.299 -2.449 -2.870
214 HB3 HIS 31 2HB HIS 31 -1.546 -1.962 -1.726
215 HD1 HIS 31 HD1 HIS 31 0.519 -0.568 -4.565
216 HD2 HIS 31 HD2 HIS 31 -2.901 0.332 -2.384
217 HE1 HIS 31 HE1 HIS 31 -0.548 1.373 -5.757
218 H ARG 32 H ARG 32 -1.337 -0.026 0.106
219 HA ARG 32 HA ARG 32 -1.307 2.540 -0.692
220 HB2 ARG 32 1HB ARG 32 -1.375 1.635 2.193
221 HB3 ARG 32 2HB ARG 32 -1.910 3.205 1.608
222 HG2 ARG 32 1HG ARG 32 -3.698 2.211 0.372
223 HG3 ARG 32 2HG ARG 32 -3.097 0.588 0.718
224 HD2 ARG 32 1HD ARG 32 -4.946 1.034 2.174
225 HD3 ARG 32 2HD ARG 32 -3.468 1.034 3.136
226 HE ARG 32 HE ARG 32 -3.761 3.282 3.550
227 HH11 ARG 32 1HH1 ARG 32 -5.995 2.221 1.101
228 HH12 ARG 32 2HH1 ARG 32 -6.928 3.680 1.135
229 HH21 ARG 32 1HH2 ARG 32 -4.981 5.208 3.605
230 HH22 ARG 32 2HH2 ARG 32 -6.350 5.379 2.559
231 H GLY 33 H GLY 33 1.255 0.927 0.996
232 HA2 GLY 33 1HA GLY 33 2.660 3.053 2.101
233 HA3 GLY 33 2HA GLY 33 3.400 1.582 1.488
234 H ILE 34 H ILE 34 2.821 1.789 -1.213
235 HA ILE 34 HA ILE 34 4.904 3.360 -2.161
236 HB ILE 34 HB ILE 34 4.072 2.970 -4.384
237 HG12 ILE 34 1HG1 ILE 34 1.548 1.718 -3.403
238 HG13 ILE 34 2HG1 ILE 34 1.617 3.475 -3.492
239 HG21 ILE 34 1HG2 ILE 34 3.298 0.414 -3.902
240 HG22 ILE 34 2HG2 ILE 34 4.971 0.969 -3.902
241 HG23 ILE 34 3HG2 ILE 34 4.090 0.825 -2.381
242 HD11 ILE 34 3HD1 ILE 34 2.592 2.786 -5.924
243 HD12 ILE 34 1HD1 ILE 34 1.444 1.482 -5.625
244 HD13 ILE 34 2HD1 ILE 34 0.903 3.160 -5.584
245 H HIS 35 H HIS 35 1.766 4.297 -1.205
246 HA HIS 35 HA HIS 35 1.799 6.760 -2.762
247 HB2 HIS 35 1HB HIS 35 -0.213 5.537 -0.877
248 HB3 HIS 35 2HB HIS 35 -0.396 7.163 -1.527
249 HD1 HIS 35 HD1 HIS 35 -0.094 7.084 -4.361
250 HD2 HIS 35 HD2 HIS 35 -1.578 3.757 -2.363
251 HE1 HIS 35 HE1 HIS 35 -1.321 5.746 -6.102
252 H THR 36 H THR 36 1.466 5.902 0.686
253 HA THR 36 HA THR 36 1.753 8.418 1.775
254 HB THR 36 HB THR 36 2.766 7.218 3.785
255 HG1 THR 36 HG1 THR 36 3.206 5.137 3.612
256 HG21 THR 36 3HG2 THR 36 0.200 6.034 2.729
257 HG22 THR 36 1HG2 THR 36 0.323 7.649 3.425
258 HG23 THR 36 2HG2 THR 36 0.675 6.233 4.416
259 H GLY 37 H GLY 37 3.663 9.206 3.090
260 HA2 GLY 37 1HA GLY 37 5.945 9.638 3.335
261 HA3 GLY 37 2HA GLY 37 6.277 8.492 2.044
262 H GLU 38 H GLU 38 5.468 11.794 2.824
263 HA GLU 38 HA GLU 38 5.488 12.622 0.046
264 HB2 GLU 38 1HB GLU 38 4.033 13.621 1.920
265 HB3 GLU 38 2HB GLU 38 5.492 14.460 2.429
266 HG2 GLU 38 1HG GLU 38 5.649 15.523 0.238
267 HG3 GLU 38 2HG GLU 38 4.188 14.681 -0.275
268 H LYS 39 H LYS 39 7.820 11.486 0.305
269 HA LYS 39 HA LYS 39 9.689 13.590 -0.116
270 HB2 LYS 39 1HB LYS 39 11.286 12.788 1.700
271 HB3 LYS 39 2HB LYS 39 9.911 13.750 2.228
272 HG2 LYS 39 1HG LYS 39 8.852 11.944 3.203
273 HG3 LYS 39 2HG LYS 39 9.740 10.768 2.232
274 HD2 LYS 39 1HD LYS 39 11.727 11.102 3.492
275 HD3 LYS 39 2HD LYS 39 11.056 12.523 4.296
276 HE2 LYS 39 1HE LYS 39 9.273 10.936 5.213
277 HE3 LYS 39 2HE LYS 39 10.334 9.632 4.682
278 HZ1 LYS 39 3HZ LYS 39 10.463 10.903 7.076
279 HZ2 LYS 39 1HZ LYS 39 11.704 11.644 6.197
280 HZ3 LYS 39 2HZ LYS 39 11.695 9.965 6.395
281 HA PRO 40 HA PRO 40 11.411 10.386 -2.597
282 HB2 PRO 40 1HB PRO 40 13.853 11.475 -3.068
283 HB3 PRO 40 2HB PRO 40 12.374 12.067 -3.832
284 HG2 PRO 40 1HG PRO 40 13.844 13.148 -1.459
285 HG3 PRO 40 2HG PRO 40 13.119 14.024 -2.820
286 HD2 PRO 40 1HD PRO 40 11.904 13.817 -0.409
287 HD3 PRO 40 2HD PRO 40 10.996 13.902 -1.932
288 H SER 41 H SER 41 13.125 8.807 -2.643
289 HA SER 41 HA SER 41 14.170 8.256 0.038
290 HB2 SER 41 1HB SER 41 14.036 6.419 -2.365
291 HB3 SER 41 2HB SER 41 14.445 5.959 -0.712
292 HG SER 41 HG SER 41 11.991 6.394 -1.862
293 H GLY 42 H GLY 42 15.299 7.894 -3.333
294 HA2 GLY 42 1HA GLY 42 17.651 9.351 -3.068
295 HA3 GLY 42 2HA GLY 42 18.036 7.698 -2.611
296 HA PRO 43 HA PRO 43 16.729 7.792 -7.301
297 HB2 PRO 43 1HB PRO 43 17.075 10.205 -8.498
298 HB3 PRO 43 2HB PRO 43 15.544 9.704 -7.769
299 HG2 PRO 43 1HG PRO 43 17.689 11.466 -6.648
300 HG3 PRO 43 2HG PRO 43 15.929 11.673 -6.592
301 HD2 PRO 43 1HD PRO 43 17.351 10.715 -4.496
302 HD3 PRO 43 2HD PRO 43 15.686 10.201 -4.835
303 H SER 44 H SER 44 19.371 9.389 -5.777
304 HA SER 44 HA SER 44 21.196 9.613 -7.876
305 HB2 SER 44 1HB SER 44 21.778 8.959 -4.977
306 HB3 SER 44 2HB SER 44 22.938 9.589 -6.146
307 HG SER 44 HG SER 44 21.088 10.912 -4.671
308 H SER 45 H SER 45 22.620 8.240 -8.837
309 HA SER 45 HA SER 45 22.234 5.383 -8.274
310 HB2 SER 45 1HB SER 45 23.388 6.708 -10.741
311 HB3 SER 45 2HB SER 45 23.069 4.985 -10.541
312 HG SER 45 HG SER 45 21.087 7.009 -10.375
313 H GLY 46 H GLY 46 23.681 5.276 -6.511
314 HA2 GLY 46 1HA GLY 46 25.745 5.236 -5.454
315 HA3 GLY 46 2HA GLY 46 26.163 4.307 -6.886
Start of MODEL 3
1 H1 GLY 1 H GLY 1 -32.982 14.334 -10.804
2 HA2 GLY 1 1HA GLY 1 -30.616 13.938 -11.225
3 HA3 GLY 1 2HA GLY 1 -30.713 12.573 -10.123
4 H SER 2 H SER 2 -29.605 12.203 -12.575
5 HA SER 2 HA SER 2 -31.446 10.288 -13.743
6 HB2 SER 2 1HB SER 2 -31.282 11.124 -15.999
7 HB3 SER 2 2HB SER 2 -31.846 12.441 -14.970
8 HG SER 2 HG SER 2 -29.532 13.037 -14.864
9 H SER 3 H SER 3 -30.257 8.502 -13.619
10 HA SER 3 HA SER 3 -27.791 8.304 -15.075
11 HB2 SER 3 1HB SER 3 -27.256 9.237 -12.696
12 HB3 SER 3 2HB SER 3 -27.560 7.581 -12.169
13 HG SER 3 HG SER 3 -25.600 7.192 -12.788
14 H GLY 4 H GLY 4 -27.216 6.177 -15.537
15 HA2 GLY 4 1HA GLY 4 -29.345 4.241 -15.036
16 HA3 GLY 4 2HA GLY 4 -28.056 4.086 -16.221
17 H SER 5 H SER 5 -28.884 2.052 -14.420
18 HA SER 5 HA SER 5 -26.362 1.264 -13.390
19 HB2 SER 5 1HB SER 5 -26.903 2.834 -11.600
20 HB3 SER 5 2HB SER 5 -28.465 2.051 -11.358
21 HG SER 5 HG SER 5 -26.312 1.464 -10.105
22 H SER 6 H SER 6 -26.307 -0.873 -13.555
23 HA SER 6 HA SER 6 -28.809 -2.383 -13.190
24 HB2 SER 6 1HB SER 6 -28.076 -3.902 -15.010
25 HB3 SER 6 2HB SER 6 -28.339 -2.253 -15.579
26 HG SER 6 HG SER 6 -25.969 -2.028 -15.180
27 H GLY 7 H GLY 7 -28.120 -2.831 -11.039
28 HA2 GLY 7 1HA GLY 7 -26.834 -3.862 -9.396
29 HA3 GLY 7 2HA GLY 7 -27.121 -5.239 -10.449
30 H THR 8 H THR 8 -24.856 -2.694 -9.606
31 HA THR 8 HA THR 8 -22.760 -4.047 -11.154
32 HB THR 8 HB THR 8 -21.417 -2.014 -10.820
33 HG1 THR 8 HG1 THR 8 -22.855 -1.545 -8.798
34 HG21 THR 8 3HG2 THR 8 -22.941 -2.205 -12.765
35 HG22 THR 8 1HG2 THR 8 -22.686 -0.536 -12.259
36 HG23 THR 8 2HG2 THR 8 -24.185 -1.365 -11.840
37 H GLY 9 H GLY 9 -21.831 -5.613 -9.976
38 HA2 GLY 9 1HA GLY 9 -21.723 -5.843 -7.223
39 HA3 GLY 9 2HA GLY 9 -20.570 -6.587 -8.321
40 H LYS 10 H LYS 10 -19.867 -5.717 -5.769
41 HA LYS 10 HA LYS 10 -18.207 -3.353 -6.352
42 HB2 LYS 10 1HB LYS 10 -19.732 -2.857 -4.563
43 HB3 LYS 10 2HB LYS 10 -19.327 -4.353 -3.732
44 HG2 LYS 10 1HG LYS 10 -17.251 -3.558 -3.049
45 HG3 LYS 10 2HG LYS 10 -17.241 -2.272 -4.257
46 HD2 LYS 10 1HD LYS 10 -19.320 -2.334 -2.099
47 HD3 LYS 10 2HD LYS 10 -17.716 -1.665 -1.789
48 HE2 LYS 10 1HE LYS 10 -19.404 -0.785 -4.116
49 HE3 LYS 10 2HE LYS 10 -19.538 -0.040 -2.524
50 HZ1 LYS 10 3HZ LYS 10 -18.034 1.228 -3.862
51 HZ2 LYS 10 1HZ LYS 10 -17.114 -0.141 -4.234
52 HZ3 LYS 10 2HZ LYS 10 -17.139 0.456 -2.652
53 H LYS 11 H LYS 11 -16.037 -3.476 -6.081
54 HA LYS 11 HA LYS 11 -14.804 -6.022 -6.035
55 HB2 LYS 11 1HB LYS 11 -13.875 -3.196 -6.088
56 HB3 LYS 11 2HB LYS 11 -12.714 -4.417 -5.583
57 HG2 LYS 11 1HG LYS 11 -12.320 -4.317 -7.838
58 HG3 LYS 11 2HG LYS 11 -13.482 -5.643 -7.751
59 HD2 LYS 11 1HD LYS 11 -15.197 -4.372 -8.631
60 HD3 LYS 11 2HD LYS 11 -14.466 -2.847 -8.124
61 HE2 LYS 11 1HE LYS 11 -14.161 -2.855 -10.431
62 HE3 LYS 11 2HE LYS 11 -12.611 -3.421 -9.811
63 HZ1 LYS 11 3HZ LYS 11 -14.695 -4.908 -11.239
64 HZ2 LYS 11 1HZ LYS 11 -13.738 -5.740 -10.119
65 HZ3 LYS 11 2HZ LYS 11 -13.015 -4.956 -11.431
66 HA PRO 12 HA PRO 12 -14.042 -6.826 -1.790
67 HB2 PRO 12 1HB PRO 12 -11.506 -7.797 -1.813
68 HB3 PRO 12 2HB PRO 12 -12.887 -8.702 -2.444
69 HG2 PRO 12 1HG PRO 12 -10.844 -7.089 -3.922
70 HG3 PRO 12 2HG PRO 12 -11.524 -8.675 -4.328
71 HD2 PRO 12 1HD PRO 12 -12.365 -6.386 -5.504
72 HD3 PRO 12 2HD PRO 12 -13.446 -7.764 -5.216
73 H TYR 13 H TYR 13 -11.143 -5.337 -3.252
74 HA TYR 13 HA TYR 13 -11.169 -3.270 -1.210
75 HB2 TYR 13 1HB TYR 13 -8.741 -5.032 -1.599
76 HB3 TYR 13 2HB TYR 13 -8.871 -3.659 -0.506
77 HD1 TYR 13 HD1 TYR 13 -10.259 -3.818 1.526
78 HD2 TYR 13 HD2 TYR 13 -9.654 -7.173 -1.020
79 HE1 TYR 13 HE1 TYR 13 -11.053 -5.310 3.313
80 HE2 TYR 13 HE2 TYR 13 -10.447 -8.674 0.760
81 HH TYR 13 HH TYR 13 -11.938 -7.485 3.638
82 H LYS 14 H LYS 14 -10.993 -1.450 -2.318
83 HA LYS 14 HA LYS 14 -9.173 -1.380 -4.637
84 HB2 LYS 14 1HB LYS 14 -11.491 -1.181 -5.356
85 HB3 LYS 14 2HB LYS 14 -11.758 0.132 -4.216
86 HG2 LYS 14 1HG LYS 14 -9.803 1.268 -5.535
87 HG3 LYS 14 2HG LYS 14 -10.280 0.132 -6.800
88 HD2 LYS 14 1HD LYS 14 -12.522 0.999 -6.810
89 HD3 LYS 14 2HD LYS 14 -12.180 2.019 -5.410
90 HE2 LYS 14 1HE LYS 14 -10.352 3.066 -6.886
91 HE3 LYS 14 2HE LYS 14 -11.190 2.292 -8.230
92 HZ1 LYS 14 3HZ LYS 14 -13.248 3.452 -7.341
93 HZ2 LYS 14 1HZ LYS 14 -12.091 4.425 -8.101
94 HZ3 LYS 14 2HZ LYS 14 -12.195 4.396 -6.413
95 H CYS 15 H CYS 15 -7.757 0.304 -4.809
96 HA CYS 15 HA CYS 15 -7.306 1.850 -2.402
97 HB2 CYS 15 1HB CYS 15 -5.482 0.722 -3.781
98 HB3 CYS 15 2HB CYS 15 -5.726 1.998 -4.968
99 H ASN 16 H ASN 16 -8.244 3.748 -2.085
100 HA ASN 16 HA ASN 16 -9.524 5.190 -4.198
101 HB2 ASN 16 1HB ASN 16 -9.034 5.898 -1.298
102 HB3 ASN 16 2HB ASN 16 -10.006 6.865 -2.402
103 HD21 ASN 16 1HD2 ASN 16 -11.555 5.236 -3.711
104 HD22 ASN 16 2HD2 ASN 16 -12.535 4.269 -2.666
105 H GLU 17 H GLU 17 -6.360 4.933 -3.427
106 HA GLU 17 HA GLU 17 -5.640 7.725 -3.774
107 HB2 GLU 17 1HB GLU 17 -3.820 5.320 -3.607
108 HB3 GLU 17 2HB GLU 17 -3.361 7.006 -3.422
109 HG2 GLU 17 1HG GLU 17 -5.351 5.740 -1.582
110 HG3 GLU 17 2HG GLU 17 -3.618 5.558 -1.321
111 H CYS 18 H CYS 18 -5.009 4.653 -5.468
112 HA CYS 18 HA CYS 18 -4.435 6.206 -7.902
113 HB2 CYS 18 1HB CYS 18 -3.287 4.139 -8.699
114 HB3 CYS 18 2HB CYS 18 -2.560 4.832 -7.253
115 H GLY 19 H GLY 19 -6.107 3.304 -6.717
116 HA2 GLY 19 1HA GLY 19 -8.447 3.066 -7.497
117 HA3 GLY 19 2HA GLY 19 -7.850 3.473 -9.098
118 H LYS 20 H LYS 20 -5.918 1.438 -7.083
119 HA LYS 20 HA LYS 20 -6.247 -0.743 -8.966
120 HB2 LYS 20 1HB LYS 20 -4.316 -0.046 -6.814
121 HB3 LYS 20 2HB LYS 20 -4.518 -1.751 -7.192
122 HG2 LYS 20 1HG LYS 20 -4.058 -1.174 -9.589
123 HG3 LYS 20 2HG LYS 20 -3.626 0.447 -9.039
124 HD2 LYS 20 1HD LYS 20 -1.568 -0.601 -9.081
125 HD3 LYS 20 2HD LYS 20 -2.052 -0.831 -7.399
126 HE2 LYS 20 1HE LYS 20 -1.180 -2.903 -8.260
127 HE3 LYS 20 2HE LYS 20 -2.916 -3.072 -8.001
128 HZ1 LYS 20 3HZ LYS 20 -3.328 -3.205 -10.216
129 HZ2 LYS 20 1HZ LYS 20 -1.766 -3.855 -10.217
130 HZ3 LYS 20 2HZ LYS 20 -2.010 -2.239 -10.653
131 H VAL 21 H VAL 21 -6.291 -3.020 -7.973
132 HA VAL 21 HA VAL 21 -8.039 -3.150 -5.622
133 HB VAL 21 HB VAL 21 -8.621 -4.652 -8.177
134 HG11 VAL 21 1HG1 VAL 21 -10.475 -4.364 -5.848
135 HG12 VAL 21 2HG1 VAL 21 -10.446 -5.598 -7.109
136 HG13 VAL 21 3HG1 VAL 21 -9.220 -5.602 -5.840
137 HG21 VAL 21 3HG2 VAL 21 -9.429 -1.998 -7.257
138 HG22 VAL 21 1HG2 VAL 21 -9.507 -2.715 -8.867
139 HG23 VAL 21 2HG2 VAL 21 -10.782 -3.042 -7.694
140 H PHE 22 H PHE 22 -7.809 -4.975 -4.379
141 HA PHE 22 HA PHE 22 -5.986 -7.064 -5.329
142 HB2 PHE 22 1HB PHE 22 -5.737 -5.903 -2.558
143 HB3 PHE 22 2HB PHE 22 -4.626 -6.991 -3.385
144 HD1 PHE 22 HD2 PHE 22 -6.054 -3.564 -3.602
145 HD2 PHE 22 HD1 PHE 22 -2.780 -6.137 -4.483
146 HE1 PHE 22 HE2 PHE 22 -4.749 -1.630 -4.382
147 HE2 PHE 22 HE1 PHE 22 -1.469 -4.207 -5.265
148 HZ PHE 22 HZ PHE 22 -2.454 -1.950 -5.216
149 H THR 23 H THR 23 -6.863 -8.996 -5.049
150 HA THR 23 HA THR 23 -9.313 -9.557 -3.993
151 HB THR 23 HB THR 23 -8.557 -11.919 -3.732
152 HG1 THR 23 HG1 THR 23 -6.053 -11.209 -4.782
153 HG21 THR 23 3HG2 THR 23 -9.193 -11.789 -5.887
154 HG22 THR 23 1HG2 THR 23 -7.464 -11.834 -6.232
155 HG23 THR 23 2HG2 THR 23 -8.309 -10.288 -6.158
156 H GLN 24 H GLN 24 -6.220 -9.544 -2.279
157 HA GLN 24 HA GLN 24 -7.674 -9.961 0.245
158 HB2 GLN 24 1HB GLN 24 -4.748 -10.376 -0.391
159 HB3 GLN 24 2HB GLN 24 -5.477 -10.605 1.193
160 HG2 GLN 24 1HG GLN 24 -6.877 -12.387 0.307
161 HG3 GLN 24 2HG GLN 24 -6.178 -12.148 -1.294
162 HE21 GLN 24 1HE2 GLN 24 -5.733 -13.469 1.857
163 HE22 GLN 24 2HE2 GLN 24 -4.252 -14.299 1.536
164 H ASN 25 H ASN 25 -7.742 -8.380 1.718
165 HA ASN 25 HA ASN 25 -7.060 -5.757 1.139
166 HB2 ASN 25 1HB ASN 25 -7.835 -5.222 3.249
167 HB3 ASN 25 2HB ASN 25 -8.579 -6.802 3.018
168 HD21 ASN 25 1HD2 ASN 25 -7.467 -8.653 3.945
169 HD22 ASN 25 2HD2 ASN 25 -6.570 -8.445 5.407
170 H SER 26 H SER 26 -5.248 -8.197 2.946
171 HA SER 26 HA SER 26 -3.205 -6.675 3.985
172 HB2 SER 26 1HB SER 26 -3.293 -9.495 2.951
173 HB3 SER 26 2HB SER 26 -1.781 -8.810 3.545
174 HG SER 26 HG SER 26 -3.371 -8.192 5.408
175 H HIS 27 H HIS 27 -3.489 -8.003 0.715
176 HA HIS 27 HA HIS 27 -0.953 -7.181 -0.203
177 HB2 HIS 27 1HB HIS 27 -3.524 -7.735 -1.693
178 HB3 HIS 27 2HB HIS 27 -1.981 -7.430 -2.486
179 HD2 HIS 27 HD2 HIS 27 -1.885 -9.719 0.637
180 HE1 HIS 27 HE1 HIS 27 -1.505 -12.173 -2.804
181 HE2 HIS 27 HE2 HIS 27 -1.471 -12.100 -0.286
182 H LEU 28 H LEU 28 -3.999 -5.520 0.124
183 HA LEU 28 HA LEU 28 -3.256 -3.288 -1.526
184 HB2 LEU 28 1HB LEU 28 -5.561 -3.710 -1.394
185 HB3 LEU 28 2HB LEU 28 -5.521 -3.839 0.363
186 HG LEU 28 HG LEU 28 -5.145 -1.417 0.521
187 HD11 LEU 28 1HD1 LEU 28 -4.035 -1.278 -1.750
188 HD12 LEU 28 2HD1 LEU 28 -5.165 0.014 -1.350
189 HD13 LEU 28 3HD1 LEU 28 -5.659 -1.284 -2.437
190 HD21 LEU 28 3HD2 LEU 28 -7.362 -0.783 0.116
191 HD22 LEU 28 1HD2 LEU 28 -7.446 -2.521 0.403
192 HD23 LEU 28 2HD2 LEU 28 -7.527 -1.894 -1.244
193 H ALA 29 H ALA 29 -3.721 -3.734 1.981
194 HA ALA 29 HA ALA 29 -3.017 -1.267 2.913
195 HB1 ALA 29 3HB ALA 29 -2.438 -3.987 4.056
196 HB2 ALA 29 1HB ALA 29 -2.080 -2.494 4.924
197 HB3 ALA 29 2HB ALA 29 -3.743 -2.877 4.475
198 H ARG 30 H ARG 30 -0.766 -3.933 2.193
199 HA ARG 30 HA ARG 30 1.590 -2.562 2.845
200 HB2 ARG 30 1HB ARG 30 2.759 -4.302 1.702
201 HB3 ARG 30 2HB ARG 30 1.355 -5.036 2.466
202 HG2 ARG 30 1HG ARG 30 0.211 -5.218 0.404
203 HG3 ARG 30 2HG ARG 30 1.384 -4.184 -0.414
204 HD2 ARG 30 1HD ARG 30 3.061 -5.843 -0.315
205 HD3 ARG 30 2HD ARG 30 2.147 -6.802 0.848
206 HE ARG 30 HE ARG 30 0.541 -6.714 -1.348
207 HH11 ARG 30 1HH1 ARG 30 3.839 -7.668 -0.769
208 HH12 ARG 30 2HH1 ARG 30 3.853 -8.857 -2.029
209 HH21 ARG 30 1HH2 ARG 30 0.548 -8.275 -3.011
210 HH22 ARG 30 2HH2 ARG 30 1.981 -9.201 -3.304
211 H HIS 31 H HIS 31 -0.277 -2.708 -0.135
212 HA HIS 31 HA HIS 31 1.618 -1.420 -1.794
213 HB2 HIS 31 1HB HIS 31 0.030 -2.444 -3.085
214 HB3 HIS 31 2HB HIS 31 -1.276 -2.077 -1.962
215 HD1 HIS 31 HD1 HIS 31 0.746 -0.488 -4.722
216 HD2 HIS 31 HD2 HIS 31 -2.738 0.175 -2.559
217 HE1 HIS 31 HE1 HIS 31 -0.407 1.427 -5.875
218 H ARG 32 H ARG 32 -1.264 -0.180 -0.108
219 HA ARG 32 HA ARG 32 -1.347 2.408 -0.823
220 HB2 ARG 32 1HB ARG 32 -1.506 1.382 2.018
221 HB3 ARG 32 2HB ARG 32 -2.075 2.958 1.483
222 HG2 ARG 32 1HG ARG 32 -3.761 1.962 0.114
223 HG3 ARG 32 2HG ARG 32 -3.113 0.347 0.411
224 HD2 ARG 32 1HD ARG 32 -4.839 0.377 1.914
225 HD3 ARG 32 2HD ARG 32 -3.532 0.997 2.922
226 HE ARG 32 HE ARG 32 -4.580 3.254 1.943
227 HH11 ARG 32 1HH1 ARG 32 -6.066 0.455 3.384
228 HH12 ARG 32 2HH1 ARG 32 -7.401 1.341 4.042
229 HH21 ARG 32 1HH2 ARG 32 -6.333 4.432 2.805
230 HH22 ARG 32 2HH2 ARG 32 -7.552 3.603 3.712
231 H GLY 33 H GLY 33 1.222 0.891 0.947
232 HA2 GLY 33 1HA GLY 33 2.444 3.064 2.173
233 HA3 GLY 33 2HA GLY 33 3.297 1.652 1.567
234 H ILE 34 H ILE 34 2.855 1.888 -1.153
235 HA ILE 34 HA ILE 34 4.896 3.540 -1.988
236 HB ILE 34 HB ILE 34 4.118 3.249 -4.244
237 HG12 ILE 34 1HG1 ILE 34 1.581 1.940 -3.382
238 HG13 ILE 34 2HG1 ILE 34 1.640 3.699 -3.389
239 HG21 ILE 34 1HG2 ILE 34 3.371 0.674 -3.933
240 HG22 ILE 34 2HG2 ILE 34 5.035 1.241 -3.801
241 HG23 ILE 34 3HG2 ILE 34 4.068 1.001 -2.346
242 HD11 ILE 34 3HD1 ILE 34 1.539 1.802 -5.616
243 HD12 ILE 34 1HD1 ILE 34 0.968 3.467 -5.508
244 HD13 ILE 34 2HD1 ILE 34 2.671 3.137 -5.826
245 H HIS 35 H HIS 35 1.634 4.363 -1.224
246 HA HIS 35 HA HIS 35 1.689 6.893 -2.626
247 HB2 HIS 35 1HB HIS 35 -0.301 5.611 -0.755
248 HB3 HIS 35 2HB HIS 35 -0.506 7.242 -1.386
249 HD1 HIS 35 HD1 HIS 35 -0.179 7.179 -4.230
250 HD2 HIS 35 HD2 HIS 35 -1.682 3.851 -2.249
251 HE1 HIS 35 HE1 HIS 35 -1.403 5.851 -5.980
252 H THR 36 H THR 36 1.380 5.946 0.801
253 HA THR 36 HA THR 36 2.060 8.604 1.685
254 HB THR 36 HB THR 36 0.551 7.610 3.143
255 HG1 THR 36 HG1 THR 36 1.661 7.864 4.938
256 HG21 THR 36 3HG2 THR 36 2.020 5.135 2.490
257 HG22 THR 36 1HG2 THR 36 0.293 5.398 2.730
258 HG23 THR 36 2HG2 THR 36 1.362 5.230 4.123
259 H GLY 37 H GLY 37 4.057 9.348 1.934
260 HA2 GLY 37 1HA GLY 37 6.158 8.781 3.268
261 HA3 GLY 37 2HA GLY 37 6.251 7.393 2.194
262 H GLU 38 H GLU 38 5.744 8.355 -0.248
263 HA GLU 38 HA GLU 38 8.011 10.154 -0.686
264 HB2 GLU 38 1HB GLU 38 7.744 7.886 -1.864
265 HB3 GLU 38 2HB GLU 38 6.495 8.669 -2.821
266 HG2 GLU 38 1HG GLU 38 8.166 10.364 -3.518
267 HG3 GLU 38 2HG GLU 38 9.399 9.436 -2.665
268 H LYS 39 H LYS 39 5.767 11.405 0.325
269 HA LYS 39 HA LYS 39 5.151 13.227 -1.854
270 HB2 LYS 39 1HB LYS 39 2.726 13.201 -1.350
271 HB3 LYS 39 2HB LYS 39 3.302 11.673 -2.001
272 HG2 LYS 39 1HG LYS 39 2.022 10.888 -0.303
273 HG3 LYS 39 2HG LYS 39 3.545 11.088 0.568
274 HD2 LYS 39 1HD LYS 39 2.827 13.067 1.596
275 HD3 LYS 39 2HD LYS 39 1.511 13.293 0.441
276 HE2 LYS 39 1HE LYS 39 0.551 11.121 1.379
277 HE3 LYS 39 2HE LYS 39 1.708 11.314 2.694
278 HZ1 LYS 39 3HZ LYS 39 0.533 12.981 3.593
279 HZ2 LYS 39 1HZ LYS 39 -0.756 12.347 2.699
280 HZ3 LYS 39 2HZ LYS 39 0.123 13.662 2.099
281 HA PRO 40 HA PRO 40 5.561 16.252 1.304
282 HB2 PRO 40 1HB PRO 40 3.999 18.236 0.308
283 HB3 PRO 40 2HB PRO 40 5.574 17.820 -0.376
284 HG2 PRO 40 1HG PRO 40 2.839 17.037 -1.307
285 HG3 PRO 40 2HG PRO 40 4.236 17.569 -2.261
286 HD2 PRO 40 1HD PRO 40 3.542 14.963 -2.022
287 HD3 PRO 40 2HD PRO 40 5.228 15.490 -2.200
288 H SER 41 H SER 41 4.484 15.095 2.992
289 HA SER 41 HA SER 41 1.696 15.010 3.333
290 HB2 SER 41 1HB SER 41 3.830 14.956 5.480
291 HB3 SER 41 2HB SER 41 2.170 14.387 5.647
292 HG SER 41 HG SER 41 2.946 13.072 3.635
293 H GLY 42 H GLY 42 4.115 17.167 4.825
294 HA2 GLY 42 1HA GLY 42 3.803 19.123 6.029
295 HA3 GLY 42 2HA GLY 42 2.918 19.566 4.576
296 HA PRO 43 HA PRO 43 -0.486 17.919 7.556
297 HB2 PRO 43 1HB PRO 43 0.294 17.048 10.007
298 HB3 PRO 43 2HB PRO 43 0.203 15.988 8.595
299 HG2 PRO 43 1HG PRO 43 2.589 17.334 9.803
300 HG3 PRO 43 2HG PRO 43 2.429 15.677 9.193
301 HD2 PRO 43 1HD PRO 43 3.599 17.651 7.757
302 HD3 PRO 43 2HD PRO 43 2.695 16.325 6.998
303 H SER 44 H SER 44 2.267 19.459 9.167
304 HA SER 44 HA SER 44 2.328 21.093 10.799
305 HB2 SER 44 1HB SER 44 1.433 23.215 9.952
306 HB3 SER 44 2HB SER 44 2.226 22.314 8.659
307 HG SER 44 HG SER 44 -0.014 23.293 8.348
308 H SER 45 H SER 45 0.501 19.158 11.581
309 HA SER 45 HA SER 45 -1.771 20.708 12.625
310 HB2 SER 45 1HB SER 45 -1.383 17.808 11.990
311 HB3 SER 45 2HB SER 45 -2.545 18.262 13.236
312 HG SER 45 HG SER 45 -3.266 19.824 11.466
313 H GLY 46 H GLY 46 -2.510 19.993 14.852
314 HA2 GLY 46 1HA GLY 46 -0.163 19.456 16.566
315 HA3 GLY 46 2HA GLY 46 -1.340 20.700 16.962
Start of MODEL 4
1 H1 GLY 1 H GLY 1 -22.694 21.171 -13.924
2 HA2 GLY 1 1HA GLY 1 -23.804 19.760 -15.794
3 HA3 GLY 1 2HA GLY 1 -22.518 18.631 -15.394
4 H SER 2 H SER 2 -23.590 16.969 -14.491
5 HA SER 2 HA SER 2 -25.411 17.579 -12.256
6 HB2 SER 2 1HB SER 2 -26.384 15.308 -12.701
7 HB3 SER 2 2HB SER 2 -26.604 16.454 -14.024
8 HG SER 2 HG SER 2 -25.544 15.132 -15.247
9 H SER 3 H SER 3 -25.528 15.693 -10.646
10 HA SER 3 HA SER 3 -22.843 14.580 -10.183
11 HB2 SER 3 1HB SER 3 -23.335 16.607 -8.747
12 HB3 SER 3 2HB SER 3 -24.615 15.662 -7.986
13 HG SER 3 HG SER 3 -22.994 14.133 -7.396
14 H GLY 4 H GLY 4 -23.166 12.465 -10.549
15 HA2 GLY 4 1HA GLY 4 -25.249 11.137 -8.943
16 HA3 GLY 4 2HA GLY 4 -25.088 10.764 -10.653
17 H SER 5 H SER 5 -24.667 9.262 -7.999
18 HA SER 5 HA SER 5 -22.264 7.875 -8.898
19 HB2 SER 5 1HB SER 5 -22.589 9.147 -6.186
20 HB3 SER 5 2HB SER 5 -21.512 7.773 -6.436
21 HG SER 5 HG SER 5 -20.435 9.032 -8.033
22 H SER 6 H SER 6 -22.177 5.707 -8.310
23 HA SER 6 HA SER 6 -24.691 4.645 -7.211
24 HB2 SER 6 1HB SER 6 -24.269 3.900 -9.483
25 HB3 SER 6 2HB SER 6 -22.650 3.358 -9.040
26 HG SER 6 HG SER 6 -23.667 1.850 -7.614
27 H GLY 7 H GLY 7 -24.621 2.865 -5.756
28 HA2 GLY 7 1HA GLY 7 -22.144 2.823 -4.161
29 HA3 GLY 7 2HA GLY 7 -23.751 2.463 -3.547
30 H THR 8 H THR 8 -21.286 1.277 -5.808
31 HA THR 8 HA THR 8 -22.360 -1.436 -5.502
32 HB THR 8 HB THR 8 -20.231 -0.491 -7.428
33 HG1 THR 8 HG1 THR 8 -21.805 0.034 -8.766
34 HG21 THR 8 3HG2 THR 8 -20.092 -2.855 -7.087
35 HG22 THR 8 1HG2 THR 8 -20.893 -2.590 -8.635
36 HG23 THR 8 2HG2 THR 8 -21.842 -3.033 -7.216
37 H GLY 9 H GLY 9 -21.496 -2.606 -3.920
38 HA2 GLY 9 1HA GLY 9 -18.635 -2.211 -3.297
39 HA3 GLY 9 2HA GLY 9 -19.842 -2.710 -2.120
40 H LYS 10 H LYS 10 -18.754 -3.795 -5.341
41 HA LYS 10 HA LYS 10 -19.103 -6.563 -4.516
42 HB2 LYS 10 1HB LYS 10 -18.449 -5.243 -7.144
43 HB3 LYS 10 2HB LYS 10 -18.360 -6.987 -6.932
44 HG2 LYS 10 1HG LYS 10 -20.862 -5.566 -6.165
45 HG3 LYS 10 2HG LYS 10 -20.521 -5.855 -7.873
46 HD2 LYS 10 1HD LYS 10 -20.174 -8.274 -7.291
47 HD3 LYS 10 2HD LYS 10 -20.779 -7.902 -5.675
48 HE2 LYS 10 1HE LYS 10 -22.774 -6.851 -7.051
49 HE3 LYS 10 2HE LYS 10 -22.218 -7.986 -8.280
50 HZ1 LYS 10 3HZ LYS 10 -23.537 -9.417 -7.205
51 HZ2 LYS 10 1HZ LYS 10 -23.584 -8.493 -5.788
52 HZ3 LYS 10 2HZ LYS 10 -22.278 -9.526 -6.081
53 H LYS 11 H LYS 11 -16.490 -4.571 -5.901
54 HA LYS 11 HA LYS 11 -14.431 -6.402 -5.769
55 HB2 LYS 11 1HB LYS 11 -14.434 -3.406 -5.439
56 HB3 LYS 11 2HB LYS 11 -12.946 -4.343 -5.455
57 HG2 LYS 11 1HG LYS 11 -13.424 -5.131 -7.690
58 HG3 LYS 11 2HG LYS 11 -14.978 -4.295 -7.677
59 HD2 LYS 11 1HD LYS 11 -12.388 -2.831 -7.264
60 HD3 LYS 11 2HD LYS 11 -13.027 -3.153 -8.877
61 HE2 LYS 11 1HE LYS 11 -15.215 -2.112 -7.891
62 HE3 LYS 11 2HE LYS 11 -14.111 -1.400 -6.715
63 HZ1 LYS 11 3HZ LYS 11 -13.786 0.186 -8.217
64 HZ2 LYS 11 1HZ LYS 11 -14.561 -0.684 -9.444
65 HZ3 LYS 11 2HZ LYS 11 -12.919 -0.945 -9.130
66 HA PRO 12 HA PRO 12 -13.698 -7.136 -1.492
67 HB2 PRO 12 1HB PRO 12 -11.096 -7.902 -1.620
68 HB3 PRO 12 2HB PRO 12 -12.428 -8.927 -2.169
69 HG2 PRO 12 1HG PRO 12 -10.592 -7.187 -3.770
70 HG3 PRO 12 2HG PRO 12 -11.160 -8.830 -4.117
71 HD2 PRO 12 1HD PRO 12 -12.236 -6.639 -5.288
72 HD3 PRO 12 2HD PRO 12 -13.189 -8.093 -4.926
73 H TYR 13 H TYR 13 -11.001 -5.450 -3.116
74 HA TYR 13 HA TYR 13 -11.126 -3.292 -1.204
75 HB2 TYR 13 1HB TYR 13 -8.556 -4.866 -1.381
76 HB3 TYR 13 2HB TYR 13 -8.930 -3.535 -0.291
77 HD1 TYR 13 HD1 TYR 13 -10.685 -3.901 1.500
78 HD2 TYR 13 HD2 TYR 13 -9.024 -7.090 -0.775
79 HE1 TYR 13 HE1 TYR 13 -11.443 -5.504 3.205
80 HE2 TYR 13 HE2 TYR 13 -9.779 -8.702 0.923
81 HH TYR 13 HH TYR 13 -11.623 -8.773 2.703
82 H LYS 14 H LYS 14 -10.731 -1.471 -2.261
83 HA LYS 14 HA LYS 14 -8.937 -1.551 -4.595
84 HB2 LYS 14 1HB LYS 14 -11.308 -1.401 -5.290
85 HB3 LYS 14 2HB LYS 14 -11.478 0.069 -4.340
86 HG2 LYS 14 1HG LYS 14 -9.564 0.982 -5.787
87 HG3 LYS 14 2HG LYS 14 -9.927 -0.370 -6.862
88 HD2 LYS 14 1HD LYS 14 -12.181 0.400 -7.163
89 HD3 LYS 14 2HD LYS 14 -11.966 1.650 -5.935
90 HE2 LYS 14 1HE LYS 14 -11.725 2.823 -7.923
91 HE3 LYS 14 2HE LYS 14 -10.058 2.493 -7.454
92 HZ1 LYS 14 3HZ LYS 14 -9.737 1.321 -9.295
93 HZ2 LYS 14 1HZ LYS 14 -11.233 1.879 -9.853
94 HZ3 LYS 14 2HZ LYS 14 -11.131 0.394 -9.052
95 H CYS 15 H CYS 15 -7.618 0.229 -4.928
96 HA CYS 15 HA CYS 15 -7.135 1.842 -2.567
97 HB2 CYS 15 1HB CYS 15 -5.365 0.703 -4.102
98 HB3 CYS 15 2HB CYS 15 -5.610 2.104 -5.140
99 H ASN 16 H ASN 16 -8.158 3.701 -2.276
100 HA ASN 16 HA ASN 16 -9.469 5.067 -4.436
101 HB2 ASN 16 1HB ASN 16 -9.171 5.636 -1.490
102 HB3 ASN 16 2HB ASN 16 -9.971 6.763 -2.581
103 HD21 ASN 16 1HD2 ASN 16 -11.853 6.030 -3.715
104 HD22 ASN 16 2HD2 ASN 16 -12.848 4.796 -3.026
105 H GLU 17 H GLU 17 -6.340 4.909 -3.747
106 HA GLU 17 HA GLU 17 -5.754 7.759 -4.041
107 HB2 GLU 17 1HB GLU 17 -3.930 5.401 -3.542
108 HB3 GLU 17 2HB GLU 17 -3.397 7.072 -3.668
109 HG2 GLU 17 1HG GLU 17 -5.500 6.394 -1.681
110 HG3 GLU 17 2HG GLU 17 -3.829 5.949 -1.340
111 H CYS 18 H CYS 18 -5.015 4.658 -5.615
112 HA CYS 18 HA CYS 18 -4.386 6.158 -8.074
113 HB2 CYS 18 1HB CYS 18 -2.952 4.261 -8.721
114 HB3 CYS 18 2HB CYS 18 -2.426 4.987 -7.206
115 H GLY 19 H GLY 19 -5.832 3.183 -6.789
116 HA2 GLY 19 1HA GLY 19 -8.070 2.617 -7.632
117 HA3 GLY 19 2HA GLY 19 -7.496 3.073 -9.229
118 H LYS 20 H LYS 20 -5.900 1.089 -6.762
119 HA LYS 20 HA LYS 20 -5.815 -1.104 -8.725
120 HB2 LYS 20 1HB LYS 20 -3.878 -0.101 -6.703
121 HB3 LYS 20 2HB LYS 20 -3.917 -1.835 -6.990
122 HG2 LYS 20 1HG LYS 20 -3.197 -1.625 -9.174
123 HG3 LYS 20 2HG LYS 20 -3.721 0.056 -9.293
124 HD2 LYS 20 1HD LYS 20 -1.917 0.789 -7.905
125 HD3 LYS 20 2HD LYS 20 -1.474 -0.874 -7.511
126 HE2 LYS 20 1HE LYS 20 0.081 -0.357 -9.128
127 HE3 LYS 20 2HE LYS 20 -1.189 -1.106 -10.095
128 HZ1 LYS 20 3HZ LYS 20 -1.687 1.659 -9.845
129 HZ2 LYS 20 1HZ LYS 20 -1.404 0.755 -11.247
130 HZ3 LYS 20 2HZ LYS 20 -0.106 1.428 -10.398
131 H VAL 21 H VAL 21 -6.823 -2.953 -8.269
132 HA VAL 21 HA VAL 21 -8.034 -3.255 -5.621
133 HB VAL 21 HB VAL 21 -8.574 -4.794 -8.164
134 HG11 VAL 21 1HG1 VAL 21 -9.023 -6.014 -6.033
135 HG12 VAL 21 2HG1 VAL 21 -10.174 -4.745 -5.611
136 HG13 VAL 21 3HG1 VAL 21 -10.451 -5.751 -7.033
137 HG21 VAL 21 3HG2 VAL 21 -9.189 -2.297 -8.036
138 HG22 VAL 21 1HG2 VAL 21 -10.435 -3.442 -8.532
139 HG23 VAL 21 2HG2 VAL 21 -10.423 -2.810 -6.885
140 H PHE 22 H PHE 22 -7.850 -5.163 -4.414
141 HA PHE 22 HA PHE 22 -5.877 -7.135 -5.291
142 HB2 PHE 22 1HB PHE 22 -5.724 -5.896 -2.543
143 HB3 PHE 22 2HB PHE 22 -4.572 -6.994 -3.297
144 HD1 PHE 22 HD2 PHE 22 -5.965 -3.572 -3.456
145 HD2 PHE 22 HD1 PHE 22 -2.810 -6.184 -4.615
146 HE1 PHE 22 HE2 PHE 22 -4.677 -1.645 -4.281
147 HE2 PHE 22 HE1 PHE 22 -1.517 -4.261 -5.441
148 HZ PHE 22 HZ PHE 22 -2.451 -1.988 -5.276
149 H THR 23 H THR 23 -6.917 -9.005 -5.189
150 HA THR 23 HA THR 23 -9.262 -9.697 -4.121
151 HB THR 23 HB THR 23 -6.849 -11.506 -3.903
152 HG1 THR 23 HG1 THR 23 -6.949 -11.711 -6.014
153 HG21 THR 23 3HG2 THR 23 -9.809 -11.939 -3.853
154 HG22 THR 23 1HG2 THR 23 -8.558 -12.642 -2.828
155 HG23 THR 23 2HG2 THR 23 -8.749 -13.196 -4.491
156 H GLN 24 H GLN 24 -6.226 -9.597 -2.299
157 HA GLN 24 HA GLN 24 -7.773 -9.955 0.180
158 HB2 GLN 24 1HB GLN 24 -4.906 -10.572 -0.500
159 HB3 GLN 24 2HB GLN 24 -5.459 -10.459 1.165
160 HG2 GLN 24 1HG GLN 24 -6.924 -12.236 -0.718
161 HG3 GLN 24 2HG GLN 24 -5.365 -12.758 -0.082
162 HE21 GLN 24 1HE2 GLN 24 -8.610 -12.854 0.409
163 HE22 GLN 24 2HE2 GLN 24 -8.638 -13.204 2.101
164 H ASN 25 H ASN 25 -7.573 -8.501 1.846
165 HA ASN 25 HA ASN 25 -7.017 -5.831 1.208
166 HB2 ASN 25 1HB ASN 25 -7.278 -5.389 3.613
167 HB3 ASN 25 2HB ASN 25 -8.537 -6.469 3.022
168 HD21 ASN 25 1HD2 ASN 25 -6.444 -5.944 5.476
169 HD22 ASN 25 2HD2 ASN 25 -6.314 -7.549 6.102
170 H SER 26 H SER 26 -5.137 -8.167 3.121
171 HA SER 26 HA SER 26 -3.047 -6.665 3.979
172 HB2 SER 26 1HB SER 26 -1.610 -8.744 3.569
173 HB3 SER 26 2HB SER 26 -3.053 -8.962 4.560
174 HG SER 26 HG SER 26 -2.958 -9.466 1.771
175 H HIS 27 H HIS 27 -3.470 -7.967 0.716
176 HA HIS 27 HA HIS 27 -1.000 -7.188 -0.344
177 HB2 HIS 27 1HB HIS 27 -3.665 -7.877 -1.472
178 HB3 HIS 27 2HB HIS 27 -2.532 -7.043 -2.531
179 HD2 HIS 27 HD2 HIS 27 -1.488 -9.903 -0.029
180 HE1 HIS 27 HE1 HIS 27 -0.741 -11.172 -4.008
181 HE2 HIS 27 HE2 HIS 27 -0.576 -11.772 -1.567
182 H LEU 28 H LEU 28 -4.049 -5.435 -0.040
183 HA LEU 28 HA LEU 28 -3.158 -3.143 -1.495
184 HB2 LEU 28 1HB LEU 28 -5.498 -3.581 -1.388
185 HB3 LEU 28 2HB LEU 28 -5.470 -3.609 0.374
186 HG LEU 28 HG LEU 28 -4.985 -1.190 0.377
187 HD11 LEU 28 1HD1 LEU 28 -4.608 0.036 -1.471
188 HD12 LEU 28 2HD1 LEU 28 -5.756 -0.880 -2.446
189 HD13 LEU 28 3HD1 LEU 28 -4.136 -1.517 -2.162
190 HD21 LEU 28 3HD2 LEU 28 -7.262 -0.564 -0.760
191 HD22 LEU 28 1HD2 LEU 28 -7.228 -1.549 0.702
192 HD23 LEU 28 2HD2 LEU 28 -7.447 -2.315 -0.871
193 H ALA 29 H ALA 29 -3.861 -3.626 1.972
194 HA ALA 29 HA ALA 29 -3.071 -1.292 3.056
195 HB1 ALA 29 3HB ALA 29 -3.708 -3.626 4.130
196 HB2 ALA 29 1HB ALA 29 -1.964 -3.711 4.377
197 HB3 ALA 29 2HB ALA 29 -2.888 -2.370 5.057
198 H ARG 30 H ARG 30 -0.872 -3.889 2.047
199 HA ARG 30 HA ARG 30 1.497 -2.525 2.838
200 HB2 ARG 30 1HB ARG 30 2.685 -4.264 1.638
201 HB3 ARG 30 2HB ARG 30 1.371 -4.979 2.563
202 HG2 ARG 30 1HG ARG 30 0.067 -5.330 0.628
203 HG3 ARG 30 2HG ARG 30 1.117 -4.303 -0.351
204 HD2 ARG 30 1HD ARG 30 2.308 -6.677 0.988
205 HD3 ARG 30 2HD ARG 30 1.288 -6.940 -0.426
206 HE ARG 30 HE ARG 30 2.983 -5.033 -1.278
207 HH11 ARG 30 1HH1 ARG 30 3.485 -8.085 0.320
208 HH12 ARG 30 2HH1 ARG 30 5.031 -8.361 -0.412
209 HH21 ARG 30 1HH2 ARG 30 5.017 -5.386 -2.248
210 HH22 ARG 30 2HH2 ARG 30 5.902 -6.825 -1.872
211 H HIS 31 H HIS 31 -0.367 -2.696 -0.133
212 HA HIS 31 HA HIS 31 1.551 -1.450 -1.809
213 HB2 HIS 31 1HB HIS 31 -0.026 -2.499 -3.094
214 HB3 HIS 31 2HB HIS 31 -1.341 -2.113 -1.988
215 HD1 HIS 31 HD1 HIS 31 0.580 -0.721 -4.886
216 HD2 HIS 31 HD2 HIS 31 -2.678 0.277 -2.509
217 HE1 HIS 31 HE1 HIS 31 -0.534 1.209 -6.050
218 H ARG 32 H ARG 32 -1.374 -0.178 -0.217
219 HA ARG 32 HA ARG 32 -1.416 2.401 -0.971
220 HB2 ARG 32 1HB ARG 32 -1.707 1.374 1.857
221 HB3 ARG 32 2HB ARG 32 -2.188 2.982 1.333
222 HG2 ARG 32 1HG ARG 32 -3.911 2.140 -0.026
223 HG3 ARG 32 2HG ARG 32 -3.283 0.493 0.066
224 HD2 ARG 32 1HD ARG 32 -4.139 0.136 2.153
225 HD3 ARG 32 2HD ARG 32 -4.032 1.836 2.605
226 HE ARG 32 HE ARG 32 -5.984 1.325 0.567
227 HH11 ARG 32 1HH1 ARG 32 -5.384 1.350 3.996
228 HH12 ARG 32 2HH1 ARG 32 -7.049 1.574 4.418
229 HH21 ARG 32 1HH2 ARG 32 -8.180 1.619 1.109
230 HH22 ARG 32 2HH2 ARG 32 -8.639 1.725 2.775
231 H GLY 33 H GLY 33 1.079 0.896 0.910
232 HA2 GLY 33 1HA GLY 33 2.265 3.091 2.141
233 HA3 GLY 33 2HA GLY 33 3.128 1.656 1.610
234 H ILE 34 H ILE 34 2.803 1.823 -1.132
235 HA ILE 34 HA ILE 34 4.901 3.379 -1.953
236 HB ILE 34 HB ILE 34 4.137 3.129 -4.219
237 HG12 ILE 34 1HG1 ILE 34 1.516 1.972 -3.389
238 HG13 ILE 34 2HG1 ILE 34 1.679 3.725 -3.397
239 HG21 ILE 34 1HG2 ILE 34 4.891 1.056 -3.842
240 HG22 ILE 34 2HG2 ILE 34 4.019 0.916 -2.316
241 HG23 ILE 34 3HG2 ILE 34 3.189 0.594 -3.838
242 HD11 ILE 34 3HD1 ILE 34 2.746 2.862 -5.828
243 HD12 ILE 34 1HD1 ILE 34 1.276 1.918 -5.585
244 HD13 ILE 34 2HD1 ILE 34 1.208 3.681 -5.555
245 H HIS 35 H HIS 35 1.729 4.409 -1.148
246 HA HIS 35 HA HIS 35 1.934 6.928 -2.575
247 HB2 HIS 35 1HB HIS 35 -0.157 5.861 -0.669
248 HB3 HIS 35 2HB HIS 35 -0.263 7.416 -1.490
249 HD1 HIS 35 HD1 HIS 35 0.392 6.784 -4.324
250 HD2 HIS 35 HD2 HIS 35 -1.874 4.228 -1.958
251 HE1 HIS 35 HE1 HIS 35 -0.934 5.378 -5.932
252 H THR 36 H THR 36 1.487 6.003 0.844
253 HA THR 36 HA THR 36 1.887 8.460 2.012
254 HB THR 36 HB THR 36 2.804 7.170 3.999
255 HG1 THR 36 HG1 THR 36 2.946 4.982 3.839
256 HG21 THR 36 3HG2 THR 36 0.366 5.708 3.287
257 HG22 THR 36 1HG2 THR 36 0.250 7.453 3.066
258 HG23 THR 36 2HG2 THR 36 0.682 6.790 4.643
259 H GLY 37 H GLY 37 3.884 8.892 3.528
260 HA2 GLY 37 1HA GLY 37 6.223 9.042 3.770
261 HA3 GLY 37 2HA GLY 37 6.412 8.280 2.197
262 H GLU 38 H GLU 38 5.443 11.291 3.787
263 HA GLU 38 HA GLU 38 5.493 12.837 1.390
264 HB2 GLU 38 1HB GLU 38 4.149 13.540 3.293
265 HB3 GLU 38 2HB GLU 38 5.589 13.678 4.292
266 HG2 GLU 38 1HG GLU 38 6.297 15.605 3.244
267 HG3 GLU 38 2HG GLU 38 5.365 15.277 1.784
268 H LYS 39 H LYS 39 7.318 13.100 0.282
269 HA LYS 39 HA LYS 39 9.902 12.750 1.033
270 HB2 LYS 39 1HB LYS 39 8.896 14.880 -0.863
271 HB3 LYS 39 2HB LYS 39 10.547 14.278 -0.792
272 HG2 LYS 39 1HG LYS 39 10.025 12.309 -1.811
273 HG3 LYS 39 2HG LYS 39 8.364 12.310 -1.211
274 HD2 LYS 39 1HD LYS 39 8.044 14.347 -2.764
275 HD3 LYS 39 2HD LYS 39 9.535 13.800 -3.536
276 HE2 LYS 39 1HE LYS 39 7.781 12.821 -4.770
277 HE3 LYS 39 2HE LYS 39 8.424 11.533 -3.753
278 HZ1 LYS 39 3HZ LYS 39 6.247 11.251 -3.302
279 HZ2 LYS 39 1HZ LYS 39 5.832 12.851 -3.662
280 HZ3 LYS 39 2HZ LYS 39 6.527 12.474 -2.167
281 HA PRO 40 HA PRO 40 10.948 15.881 3.944
282 HB2 PRO 40 1HB PRO 40 13.639 15.929 3.586
283 HB3 PRO 40 2HB PRO 40 12.803 14.612 4.419
284 HG2 PRO 40 1HG PRO 40 13.781 14.748 1.592
285 HG3 PRO 40 2HG PRO 40 13.893 13.411 2.752
286 HD2 PRO 40 1HD PRO 40 12.024 13.488 0.795
287 HD3 PRO 40 2HD PRO 40 11.723 12.734 2.374
288 H SER 41 H SER 41 12.233 16.125 0.657
289 HA SER 41 HA SER 41 12.136 19.060 0.915
290 HB2 SER 41 1HB SER 41 13.936 19.123 -0.824
291 HB3 SER 41 2HB SER 41 14.446 18.380 0.692
292 HG SER 41 HG SER 41 15.031 16.798 -0.563
293 H GLY 42 H GLY 42 10.087 19.341 0.093
294 HA2 GLY 42 1HA GLY 42 9.778 18.630 -2.756
295 HA3 GLY 42 2HA GLY 42 8.460 18.409 -1.615
296 HA PRO 43 HA PRO 43 7.029 22.452 -2.524
297 HB2 PRO 43 1HB PRO 43 5.836 23.110 -0.176
298 HB3 PRO 43 2HB PRO 43 5.156 21.929 -1.300
299 HG2 PRO 43 1HG PRO 43 6.751 21.472 1.192
300 HG3 PRO 43 2HG PRO 43 5.303 20.624 0.619
301 HD2 PRO 43 1HD PRO 43 7.796 19.609 0.327
302 HD3 PRO 43 2HD PRO 43 6.500 19.308 -0.847
303 H SER 44 H SER 44 8.600 23.942 -2.801
304 HA SER 44 HA SER 44 10.099 24.892 -0.471
305 HB2 SER 44 1HB SER 44 10.532 25.387 -3.427
306 HB3 SER 44 2HB SER 44 11.569 25.990 -2.135
307 HG SER 44 HG SER 44 12.553 24.152 -2.610
308 H SER 45 H SER 45 10.654 27.335 -0.632
309 HA SER 45 HA SER 45 8.267 28.867 -1.403
310 HB2 SER 45 1HB SER 45 9.539 28.659 1.290
311 HB3 SER 45 2HB SER 45 8.890 30.223 0.797
312 HG SER 45 HG SER 45 7.017 29.452 1.316
313 H GLY 46 H GLY 46 9.094 30.020 -3.057
314 HA2 GLY 46 1HA GLY 46 11.356 31.794 -2.425
315 HA3 GLY 46 2HA GLY 46 11.385 30.849 -3.907
Start of MODEL 5
1 H1 GLY 1 H GLY 1 -29.649 12.131 -16.132
2 HA2 GLY 1 1HA GLY 1 -29.826 11.276 -13.953
3 HA3 GLY 1 2HA GLY 1 -31.534 11.691 -13.952
4 H SER 2 H SER 2 -29.199 9.248 -14.521
5 HA SER 2 HA SER 2 -31.271 7.421 -15.531
6 HB2 SER 2 1HB SER 2 -28.254 7.300 -15.668
7 HB3 SER 2 2HB SER 2 -29.291 5.941 -16.103
8 HG SER 2 HG SER 2 -29.721 6.886 -17.926
9 H SER 3 H SER 3 -30.796 5.057 -14.801
10 HA SER 3 HA SER 3 -30.861 5.092 -11.894
11 HB2 SER 3 1HB SER 3 -32.627 3.845 -12.936
12 HB3 SER 3 2HB SER 3 -31.482 2.943 -13.928
13 HG SER 3 HG SER 3 -31.901 1.595 -12.282
14 H GLY 4 H GLY 4 -29.248 3.093 -14.379
15 HA2 GLY 4 1HA GLY 4 -27.244 1.974 -14.346
16 HA3 GLY 4 2HA GLY 4 -26.669 3.314 -13.364
17 H SER 5 H SER 5 -25.466 2.259 -11.874
18 HA SER 5 HA SER 5 -24.934 0.945 -10.093
19 HB2 SER 5 1HB SER 5 -27.838 1.541 -9.673
20 HB3 SER 5 2HB SER 5 -27.034 0.397 -8.598
21 HG SER 5 HG SER 5 -27.007 2.986 -8.397
22 H SER 6 H SER 6 -25.269 -0.418 -12.508
23 HA SER 6 HA SER 6 -26.200 -3.030 -11.526
24 HB2 SER 6 1HB SER 6 -26.590 -1.990 -14.342
25 HB3 SER 6 2HB SER 6 -27.096 -3.565 -13.732
26 HG SER 6 HG SER 6 -28.317 -1.141 -13.510
27 H GLY 7 H GLY 7 -24.849 -4.707 -11.877
28 HA2 GLY 7 1HA GLY 7 -22.899 -5.805 -12.393
29 HA3 GLY 7 2HA GLY 7 -23.037 -5.021 -13.959
30 H THR 8 H THR 8 -22.273 -3.956 -10.641
31 HA THR 8 HA THR 8 -19.591 -3.259 -11.305
32 HB THR 8 HB THR 8 -20.723 -1.393 -12.441
33 HG1 THR 8 HG1 THR 8 -19.700 0.292 -10.904
34 HG21 THR 8 3HG2 THR 8 -21.958 -1.010 -9.733
35 HG22 THR 8 1HG2 THR 8 -22.742 -1.064 -11.311
36 HG23 THR 8 2HG2 THR 8 -21.780 0.341 -10.851
37 H GLY 9 H GLY 9 -18.361 -2.774 -9.496
38 HA2 GLY 9 1HA GLY 9 -17.968 -2.256 -7.243
39 HA3 GLY 9 2HA GLY 9 -19.700 -2.298 -6.953
40 H LYS 10 H LYS 10 -17.236 -4.603 -8.114
41 HA LYS 10 HA LYS 10 -18.144 -6.472 -6.032
42 HB2 LYS 10 1HB LYS 10 -17.745 -8.322 -7.703
43 HB3 LYS 10 2HB LYS 10 -19.144 -7.305 -8.022
44 HG2 LYS 10 1HG LYS 10 -18.251 -7.421 -10.111
45 HG3 LYS 10 2HG LYS 10 -17.427 -5.980 -9.510
46 HD2 LYS 10 1HD LYS 10 -15.485 -7.345 -8.906
47 HD3 LYS 10 2HD LYS 10 -16.312 -8.786 -9.503
48 HE2 LYS 10 1HE LYS 10 -15.855 -6.398 -11.261
49 HE3 LYS 10 2HE LYS 10 -14.612 -7.629 -11.046
50 HZ1 LYS 10 3HZ LYS 10 -16.386 -7.785 -12.960
51 HZ2 LYS 10 1HZ LYS 10 -17.309 -8.519 -11.747
52 HZ3 LYS 10 2HZ LYS 10 -15.810 -9.171 -12.181
53 H LYS 11 H LYS 11 -15.753 -4.600 -6.638
54 HA LYS 11 HA LYS 11 -13.508 -6.379 -6.833
55 HB2 LYS 11 1HB LYS 11 -13.783 -3.439 -6.227
56 HB3 LYS 11 2HB LYS 11 -12.229 -4.260 -6.179
57 HG2 LYS 11 1HG LYS 11 -12.200 -4.624 -8.462
58 HG3 LYS 11 2HG LYS 11 -13.951 -4.451 -8.613
59 HD2 LYS 11 1HD LYS 11 -13.579 -2.018 -7.895
60 HD3 LYS 11 2HD LYS 11 -11.875 -2.310 -8.248
61 HE2 LYS 11 1HE LYS 11 -12.522 -3.013 -10.536
62 HE3 LYS 11 2HE LYS 11 -14.190 -2.580 -10.163
63 HZ1 LYS 11 3HZ LYS 11 -13.744 -0.486 -10.669
64 HZ2 LYS 11 1HZ LYS 11 -12.166 -0.918 -11.101
65 HZ3 LYS 11 2HZ LYS 11 -12.504 -0.421 -9.520
66 HA PRO 12 HA PRO 12 -13.119 -7.490 -2.591
67 HB2 PRO 12 1HB PRO 12 -10.467 -8.068 -2.536
68 HB3 PRO 12 2HB PRO 12 -11.664 -9.117 -3.306
69 HG2 PRO 12 1HG PRO 12 -9.824 -7.110 -4.551
70 HG3 PRO 12 2HG PRO 12 -10.235 -8.745 -5.103
71 HD2 PRO 12 1HD PRO 12 -11.360 -6.522 -6.165
72 HD3 PRO 12 2HD PRO 12 -12.231 -8.064 -6.034
73 H TYR 13 H TYR 13 -10.457 -5.443 -3.804
74 HA TYR 13 HA TYR 13 -10.910 -3.490 -1.746
75 HB2 TYR 13 1HB TYR 13 -8.255 -4.930 -1.713
76 HB3 TYR 13 2HB TYR 13 -8.812 -3.687 -0.599
77 HD1 TYR 13 HD1 TYR 13 -10.540 -4.217 1.086
78 HD2 TYR 13 HD2 TYR 13 -8.892 -7.222 -1.436
79 HE1 TYR 13 HE1 TYR 13 -11.416 -5.953 2.592
80 HE2 TYR 13 HE2 TYR 13 -9.764 -8.966 0.063
81 HH TYR 13 HH TYR 13 -12.089 -8.484 2.288
82 H LYS 14 H LYS 14 -10.885 -1.768 -3.042
83 HA LYS 14 HA LYS 14 -8.744 -1.524 -5.040
84 HB2 LYS 14 1HB LYS 14 -10.945 -1.333 -6.000
85 HB3 LYS 14 2HB LYS 14 -11.419 -0.140 -4.797
86 HG2 LYS 14 1HG LYS 14 -9.532 1.299 -5.756
87 HG3 LYS 14 2HG LYS 14 -9.551 0.177 -7.118
88 HD2 LYS 14 1HD LYS 14 -11.885 0.676 -7.537
89 HD3 LYS 14 2HD LYS 14 -11.944 1.720 -6.115
90 HE2 LYS 14 1HE LYS 14 -9.971 2.241 -8.305
91 HE3 LYS 14 2HE LYS 14 -11.643 2.778 -8.464
92 HZ1 LYS 14 3HZ LYS 14 -10.191 4.495 -7.533
93 HZ2 LYS 14 1HZ LYS 14 -9.834 3.491 -6.219
94 HZ3 LYS 14 2HZ LYS 14 -11.412 4.054 -6.448
95 H CYS 15 H CYS 15 -7.433 0.283 -5.129
96 HA CYS 15 HA CYS 15 -7.098 1.684 -2.623
97 HB2 CYS 15 1HB CYS 15 -5.188 0.796 -4.016
98 HB3 CYS 15 2HB CYS 15 -5.537 2.070 -5.181
99 H ASN 16 H ASN 16 -7.856 3.639 -2.154
100 HA ASN 16 HA ASN 16 -9.373 5.100 -4.122
101 HB2 ASN 16 1HB ASN 16 -8.889 5.360 -1.179
102 HB3 ASN 16 2HB ASN 16 -9.534 6.738 -2.067
103 HD21 ASN 16 1HD2 ASN 16 -10.771 5.111 0.004
104 HD22 ASN 16 2HD2 ASN 16 -12.219 4.471 -0.689
105 H GLU 17 H GLU 17 -6.154 4.973 -3.345
106 HA GLU 17 HA GLU 17 -5.582 7.795 -3.675
107 HB2 GLU 17 1HB GLU 17 -3.747 5.405 -3.442
108 HB3 GLU 17 2HB GLU 17 -3.211 7.078 -3.508
109 HG2 GLU 17 1HG GLU 17 -5.036 5.983 -1.385
110 HG3 GLU 17 2HG GLU 17 -3.284 6.093 -1.224
111 H CYS 18 H CYS 18 -4.913 4.787 -5.456
112 HA CYS 18 HA CYS 18 -4.435 6.419 -7.862
113 HB2 CYS 18 1HB CYS 18 -3.188 4.418 -8.715
114 HB3 CYS 18 2HB CYS 18 -2.459 5.175 -7.302
115 H GLY 19 H GLY 19 -5.940 3.441 -6.662
116 HA2 GLY 19 1HA GLY 19 -8.267 3.080 -7.431
117 HA3 GLY 19 2HA GLY 19 -7.696 3.499 -9.040
118 H LYS 20 H LYS 20 -5.434 1.686 -7.309
119 HA LYS 20 HA LYS 20 -5.573 -0.499 -9.092
120 HB2 LYS 20 1HB LYS 20 -3.631 0.410 -7.535
121 HB3 LYS 20 2HB LYS 20 -4.267 -0.797 -6.425
122 HG2 LYS 20 1HG LYS 20 -3.588 -2.547 -7.714
123 HG3 LYS 20 2HG LYS 20 -3.717 -1.633 -9.219
124 HD2 LYS 20 1HD LYS 20 -1.661 -0.830 -7.214
125 HD3 LYS 20 2HD LYS 20 -1.369 -2.258 -8.210
126 HE2 LYS 20 1HE LYS 20 -0.391 -0.435 -9.357
127 HE3 LYS 20 2HE LYS 20 -1.882 -0.817 -10.215
128 HZ1 LYS 20 3HZ LYS 20 -1.503 1.593 -9.835
129 HZ2 LYS 20 1HZ LYS 20 -1.661 1.324 -8.172
130 HZ3 LYS 20 2HZ LYS 20 -2.967 1.026 -9.205
131 H VAL 21 H VAL 21 -5.505 -2.830 -7.974
132 HA VAL 21 HA VAL 21 -7.634 -3.132 -6.010
133 HB VAL 21 HB VAL 21 -7.800 -4.535 -8.680
134 HG11 VAL 21 1HG1 VAL 21 -8.680 -5.668 -6.573
135 HG12 VAL 21 2HG1 VAL 21 -9.905 -4.398 -6.541
136 HG13 VAL 21 3HG1 VAL 21 -9.804 -5.493 -7.920
137 HG21 VAL 21 3HG2 VAL 21 -9.373 -2.197 -7.607
138 HG22 VAL 21 1HG2 VAL 21 -8.319 -2.215 -9.021
139 HG23 VAL 21 2HG2 VAL 21 -9.826 -3.133 -9.031
140 H PHE 22 H PHE 22 -7.498 -5.004 -4.826
141 HA PHE 22 HA PHE 22 -5.572 -7.046 -5.631
142 HB2 PHE 22 1HB PHE 22 -5.447 -5.962 -2.830
143 HB3 PHE 22 2HB PHE 22 -4.254 -6.926 -3.695
144 HD1 PHE 22 HD2 PHE 22 -5.771 -3.568 -3.453
145 HD2 PHE 22 HD1 PHE 22 -2.559 -5.911 -4.973
146 HE1 PHE 22 HE2 PHE 22 -4.572 -1.512 -4.079
147 HE2 PHE 22 HE1 PHE 22 -1.354 -3.859 -5.601
148 HZ PHE 22 HZ PHE 22 -2.361 -1.656 -5.155
149 H THR 23 H THR 23 -6.127 -9.068 -5.011
150 HA THR 23 HA THR 23 -8.735 -9.413 -3.803
151 HB THR 23 HB THR 23 -8.018 -10.767 -5.769
152 HG1 THR 23 HG1 THR 23 -8.996 -12.612 -4.985
153 HG21 THR 23 3HG2 THR 23 -6.458 -12.609 -4.077
154 HG22 THR 23 1HG2 THR 23 -5.662 -11.087 -4.476
155 HG23 THR 23 2HG2 THR 23 -6.230 -12.150 -5.764
156 H GLN 24 H GLN 24 -6.554 -8.400 -2.133
157 HA GLN 24 HA GLN 24 -6.959 -10.127 0.120
158 HB2 GLN 24 1HB GLN 24 -4.196 -9.852 -1.067
159 HB3 GLN 24 2HB GLN 24 -4.506 -10.435 0.563
160 HG2 GLN 24 1HG GLN 24 -5.958 -12.216 -0.507
161 HG3 GLN 24 2HG GLN 24 -5.248 -11.721 -2.043
162 HE21 GLN 24 1HE2 GLN 24 -3.880 -13.263 -2.603
163 HE22 GLN 24 2HE2 GLN 24 -2.655 -13.942 -1.593
164 H ASN 25 H ASN 25 -7.597 -8.583 1.485
165 HA ASN 25 HA ASN 25 -7.153 -5.932 1.531
166 HB2 ASN 25 1HB ASN 25 -8.616 -6.766 3.171
167 HB3 ASN 25 2HB ASN 25 -7.404 -7.866 3.821
168 HD21 ASN 25 1HD2 ASN 25 -5.526 -6.854 4.872
169 HD22 ASN 25 2HD2 ASN 25 -5.779 -5.401 5.772
170 H SER 26 H SER 26 -4.912 -8.389 2.687
171 HA SER 26 HA SER 26 -3.046 -6.641 3.882
172 HB2 SER 26 1HB SER 26 -2.844 -9.445 2.800
173 HB3 SER 26 2HB SER 26 -1.440 -8.611 3.467
174 HG SER 26 HG SER 26 -3.165 -9.957 4.819
175 H HIS 27 H HIS 27 -3.290 -7.992 0.618
176 HA HIS 27 HA HIS 27 -0.875 -7.006 -0.395
177 HB2 HIS 27 1HB HIS 27 -3.478 -7.821 -1.635
178 HB3 HIS 27 2HB HIS 27 -2.241 -7.061 -2.633
179 HD2 HIS 27 HD2 HIS 27 -2.280 -10.179 -0.174
180 HE1 HIS 27 HE1 HIS 27 0.195 -11.003 -3.520
181 HE2 HIS 27 HE2 HIS 27 -0.834 -11.928 -1.415
182 H LEU 28 H LEU 28 -4.016 -5.492 -0.009
183 HA LEU 28 HA LEU 28 -3.357 -3.158 -1.537
184 HB2 LEU 28 1HB LEU 28 -5.643 -3.693 -1.419
185 HB3 LEU 28 2HB LEU 28 -5.593 -3.870 0.334
186 HG LEU 28 HG LEU 28 -5.317 -1.439 0.559
187 HD11 LEU 28 1HD1 LEU 28 -5.772 -1.320 -2.416
188 HD12 LEU 28 2HD1 LEU 28 -4.202 -1.109 -1.641
189 HD13 LEU 28 3HD1 LEU 28 -5.506 0.033 -1.316
190 HD21 LEU 28 3HD2 LEU 28 -7.564 -2.571 0.495
191 HD22 LEU 28 1HD2 LEU 28 -7.685 -2.065 -1.190
192 HD23 LEU 28 2HD2 LEU 28 -7.567 -0.854 0.087
193 H ALA 29 H ALA 29 -3.836 -3.742 1.949
194 HA ALA 29 HA ALA 29 -3.199 -1.284 2.959
195 HB1 ALA 29 3HB ALA 29 -2.585 -4.019 4.046
196 HB2 ALA 29 1HB ALA 29 -2.294 -2.538 4.959
197 HB3 ALA 29 2HB ALA 29 -3.932 -2.957 4.456
198 H ARG 30 H ARG 30 -0.894 -3.892 2.205
199 HA ARG 30 HA ARG 30 1.421 -2.453 2.921
200 HB2 ARG 30 1HB ARG 30 2.656 -4.177 1.757
201 HB3 ARG 30 2HB ARG 30 1.336 -4.914 2.654
202 HG2 ARG 30 1HG ARG 30 0.020 -5.018 0.569
203 HG3 ARG 30 2HG ARG 30 1.409 -4.368 -0.305
204 HD2 ARG 30 1HD ARG 30 1.324 -6.786 -0.520
205 HD3 ARG 30 2HD ARG 30 2.745 -6.298 0.402
206 HE ARG 30 HE ARG 30 0.463 -7.792 1.370
207 HH11 ARG 30 1HH1 ARG 30 3.283 -5.919 2.183
208 HH12 ARG 30 2HH1 ARG 30 3.423 -6.580 3.778
209 HH21 ARG 30 1HH2 ARG 30 0.636 -8.669 3.468
210 HH22 ARG 30 2HH2 ARG 30 1.917 -8.145 4.508
211 H HIS 31 H HIS 31 -0.401 -2.688 -0.074
212 HA HIS 31 HA HIS 31 1.488 -1.454 -1.766
213 HB2 HIS 31 1HB HIS 31 -0.138 -2.464 -3.020
214 HB3 HIS 31 2HB HIS 31 -1.422 -2.049 -1.888
215 HD1 HIS 31 HD1 HIS 31 0.441 -0.732 -4.849
216 HD2 HIS 31 HD2 HIS 31 -2.682 0.405 -2.356
217 HE1 HIS 31 HE1 HIS 31 -0.645 1.232 -5.984
218 H ARG 32 H ARG 32 -1.366 -0.111 -0.107
219 HA ARG 32 HA ARG 32 -1.369 2.467 -0.866
220 HB2 ARG 32 1HB ARG 32 -1.561 1.546 2.008
221 HB3 ARG 32 2HB ARG 32 -2.151 3.080 1.381
222 HG2 ARG 32 1HG ARG 32 -3.807 1.978 0.056
223 HG3 ARG 32 2HG ARG 32 -3.135 0.394 0.449
224 HD2 ARG 32 1HD ARG 32 -5.069 0.715 1.807
225 HD3 ARG 32 2HD ARG 32 -3.655 0.861 2.849
226 HE ARG 32 HE ARG 32 -4.195 3.058 3.226
227 HH11 ARG 32 1HH1 ARG 32 -6.040 1.859 0.528
228 HH12 ARG 32 2HH1 ARG 32 -7.055 3.260 0.432
229 HH21 ARG 32 1HH2 ARG 32 -5.525 4.908 3.110
230 HH22 ARG 32 2HH2 ARG 32 -6.761 4.994 1.900
231 H GLY 33 H GLY 33 1.139 0.907 0.951
232 HA2 GLY 33 1HA GLY 33 2.408 3.072 2.151
233 HA3 GLY 33 2HA GLY 33 3.224 1.620 1.592
234 H ILE 34 H ILE 34 2.824 1.805 -1.140
235 HA ILE 34 HA ILE 34 4.930 3.348 -1.998
236 HB ILE 34 HB ILE 34 4.141 3.068 -4.251
237 HG12 ILE 34 1HG1 ILE 34 1.534 1.911 -3.379
238 HG13 ILE 34 2HG1 ILE 34 1.690 3.664 -3.406
239 HG21 ILE 34 1HG2 ILE 34 4.121 0.895 -2.325
240 HG22 ILE 34 2HG2 ILE 34 3.171 0.530 -3.764
241 HG23 ILE 34 3HG2 ILE 34 4.867 0.986 -3.920
242 HD11 ILE 34 3HD1 ILE 34 1.199 1.875 -5.558
243 HD12 ILE 34 1HD1 ILE 34 1.259 3.637 -5.569
244 HD13 ILE 34 2HD1 ILE 34 2.730 2.703 -5.841
245 H HIS 35 H HIS 35 1.747 4.365 -1.194
246 HA HIS 35 HA HIS 35 1.933 6.872 -2.640
247 HB2 HIS 35 1HB HIS 35 -0.140 5.691 -0.795
248 HB3 HIS 35 2HB HIS 35 -0.249 7.343 -1.397
249 HD1 HIS 35 HD1 HIS 35 -0.149 7.456 -4.168
250 HD2 HIS 35 HD2 HIS 35 -1.358 3.894 -2.403
251 HE1 HIS 35 HE1 HIS 35 -1.369 6.193 -5.969
252 H THR 36 H THR 36 1.724 5.868 0.772
253 HA THR 36 HA THR 36 2.999 8.425 1.502
254 HB THR 36 HB THR 36 0.955 8.598 2.563
255 HG1 THR 36 HG1 THR 36 2.421 7.081 4.480
256 HG21 THR 36 3HG2 THR 36 1.037 5.666 3.276
257 HG22 THR 36 1HG2 THR 36 0.183 6.330 1.884
258 HG23 THR 36 2HG2 THR 36 -0.308 6.780 3.517
259 H GLY 37 H GLY 37 5.047 8.170 2.093
260 HA2 GLY 37 1HA GLY 37 6.258 7.090 4.099
261 HA3 GLY 37 2HA GLY 37 5.871 5.596 3.258
262 H GLU 38 H GLU 38 6.941 8.708 1.934
263 HA GLU 38 HA GLU 38 9.375 7.357 0.968
264 HB2 GLU 38 1HB GLU 38 9.237 8.693 -1.084
265 HB3 GLU 38 2HB GLU 38 7.817 7.677 -0.884
266 HG2 GLU 38 1HG GLU 38 6.425 9.450 -0.498
267 HG3 GLU 38 2HG GLU 38 7.721 10.473 0.121
268 H LYS 39 H LYS 39 9.414 8.670 3.358
269 HA LYS 39 HA LYS 39 10.161 11.413 3.110
270 HB2 LYS 39 1HB LYS 39 10.832 11.235 5.452
271 HB3 LYS 39 2HB LYS 39 9.255 10.500 5.199
272 HG2 LYS 39 1HG LYS 39 10.727 8.319 4.909
273 HG3 LYS 39 2HG LYS 39 11.845 9.247 5.912
274 HD2 LYS 39 1HD LYS 39 10.397 9.291 7.713
275 HD3 LYS 39 2HD LYS 39 8.970 9.045 6.704
276 HE2 LYS 39 1HE LYS 39 9.398 7.043 7.973
277 HE3 LYS 39 2HE LYS 39 9.728 6.730 6.270
278 HZ1 LYS 39 3HZ LYS 39 11.611 6.961 8.512
279 HZ2 LYS 39 1HZ LYS 39 12.136 7.367 6.955
280 HZ3 LYS 39 2HZ LYS 39 11.554 5.811 7.273
281 HA PRO 40 HA PRO 40 14.353 10.984 1.836
282 HB2 PRO 40 1HB PRO 40 15.331 13.338 2.772
283 HB3 PRO 40 2HB PRO 40 14.279 13.230 1.355
284 HG2 PRO 40 1HG PRO 40 13.586 13.946 4.178
285 HG3 PRO 40 2HG PRO 40 13.042 14.698 2.667
286 HD2 PRO 40 1HD PRO 40 11.516 12.942 4.053
287 HD3 PRO 40 2HD PRO 40 11.453 13.072 2.284
288 H SER 41 H SER 41 13.338 10.684 4.954
289 HA SER 41 HA SER 41 15.266 11.090 6.747
290 HB2 SER 41 1HB SER 41 14.660 8.978 7.855
291 HB3 SER 41 2HB SER 41 13.229 9.807 7.245
292 HG SER 41 HG SER 41 13.570 8.389 5.317
293 H GLY 42 H GLY 42 15.344 8.390 4.428
294 HA2 GLY 42 1HA GLY 42 17.686 8.198 3.418
295 HA3 GLY 42 2HA GLY 42 18.193 8.011 5.090
296 HA PRO 43 HA PRO 43 17.227 3.844 3.137
297 HB2 PRO 43 1HB PRO 43 19.713 2.794 3.429
298 HB3 PRO 43 2HB PRO 43 19.217 3.702 1.997
299 HG2 PRO 43 1HG PRO 43 20.794 4.621 4.369
300 HG3 PRO 43 2HG PRO 43 21.065 4.952 2.649
301 HD2 PRO 43 1HD PRO 43 19.884 6.737 4.307
302 HD3 PRO 43 2HD PRO 43 19.466 6.611 2.587
303 H SER 44 H SER 44 15.962 3.592 5.067
304 HA SER 44 HA SER 44 15.552 2.986 7.262
305 HB2 SER 44 1HB SER 44 16.266 0.624 7.645
306 HB3 SER 44 2HB SER 44 15.509 0.875 6.072
307 HG SER 44 HG SER 44 18.311 0.850 6.525
308 H SER 45 H SER 45 17.602 4.845 7.280
309 HA SER 45 HA SER 45 19.809 3.836 8.843
310 HB2 SER 45 1HB SER 45 20.564 6.175 8.887
311 HB3 SER 45 2HB SER 45 20.152 5.678 7.246
312 HG SER 45 HG SER 45 19.061 7.507 7.377
313 H GLY 46 H GLY 46 19.371 3.226 10.872
314 HA2 GLY 46 1HA GLY 46 17.962 5.166 12.590
315 HA3 GLY 46 2HA GLY 46 17.568 3.455 12.658
Start of MODEL 6
1 H1 GLY 1 H GLY 1 -42.128 2.756 -11.017
2 HA2 GLY 1 1HA GLY 1 -41.659 1.055 -13.226
3 HA3 GLY 1 2HA GLY 1 -40.944 2.642 -12.982
4 H SER 2 H SER 2 -40.115 -0.378 -13.620
5 HA SER 2 HA SER 2 -37.667 -0.268 -11.981
6 HB2 SER 2 1HB SER 2 -39.356 -2.583 -12.862
7 HB3 SER 2 2HB SER 2 -37.632 -2.823 -12.584
8 HG SER 2 HG SER 2 -39.671 -2.339 -10.782
9 H SER 3 H SER 3 -36.617 1.029 -13.548
10 HA SER 3 HA SER 3 -36.125 -0.237 -16.149
11 HB2 SER 3 1HB SER 3 -35.925 2.586 -15.149
12 HB3 SER 3 2HB SER 3 -35.015 2.092 -16.576
13 HG SER 3 HG SER 3 -37.097 2.930 -17.089
14 H GLY 4 H GLY 4 -34.423 -1.559 -16.127
15 HA2 GLY 4 1HA GLY 4 -32.184 -2.138 -16.060
16 HA3 GLY 4 2HA GLY 4 -31.826 -0.532 -15.443
17 H SER 5 H SER 5 -30.473 -2.672 -14.444
18 HA SER 5 HA SER 5 -31.762 -3.352 -11.903
19 HB2 SER 5 1HB SER 5 -30.555 -5.047 -13.492
20 HB3 SER 5 2HB SER 5 -29.086 -4.414 -12.749
21 HG SER 5 HG SER 5 -30.515 -4.861 -10.716
22 H SER 6 H SER 6 -30.937 -2.776 -9.934
23 HA SER 6 HA SER 6 -29.588 -0.368 -9.671
24 HB2 SER 6 1HB SER 6 -29.310 -0.969 -7.290
25 HB3 SER 6 2HB SER 6 -30.936 -1.331 -7.868
26 HG SER 6 HG SER 6 -30.461 -3.195 -6.964
27 H GLY 7 H GLY 7 -27.480 -0.051 -8.476
28 HA2 GLY 7 1HA GLY 7 -25.395 -1.336 -9.977
29 HA3 GLY 7 2HA GLY 7 -25.185 -0.099 -8.746
30 H THR 8 H THR 8 -25.883 -3.547 -9.183
31 HA THR 8 HA THR 8 -25.009 -4.101 -6.457
32 HB THR 8 HB THR 8 -25.966 -6.069 -8.542
33 HG1 THR 8 HG1 THR 8 -27.748 -4.895 -8.186
34 HG21 THR 8 3HG2 THR 8 -26.389 -7.521 -6.628
35 HG22 THR 8 1HG2 THR 8 -25.784 -6.278 -5.533
36 HG23 THR 8 2HG2 THR 8 -24.691 -7.049 -6.682
37 H GLY 9 H GLY 9 -23.338 -5.613 -5.976
38 HA2 GLY 9 1HA GLY 9 -21.414 -6.862 -6.420
39 HA3 GLY 9 2HA GLY 9 -21.570 -6.454 -8.122
40 H LYS 10 H LYS 10 -19.604 -6.099 -5.577
41 HA LYS 10 HA LYS 10 -18.357 -3.728 -6.730
42 HB2 LYS 10 1HB LYS 10 -19.415 -3.941 -3.945
43 HB3 LYS 10 2HB LYS 10 -17.926 -3.044 -4.213
44 HG2 LYS 10 1HG LYS 10 -20.471 -2.490 -5.713
45 HG3 LYS 10 2HG LYS 10 -20.034 -1.683 -4.205
46 HD2 LYS 10 1HD LYS 10 -18.209 -1.716 -6.595
47 HD3 LYS 10 2HD LYS 10 -19.453 -0.482 -6.378
48 HE2 LYS 10 1HE LYS 10 -17.273 -1.104 -4.388
49 HE3 LYS 10 2HE LYS 10 -17.220 0.214 -5.558
50 HZ1 LYS 10 3HZ LYS 10 -18.404 1.469 -4.193
51 HZ2 LYS 10 1HZ LYS 10 -18.351 0.245 -3.026
52 HZ3 LYS 10 2HZ LYS 10 -19.642 0.319 -4.117
53 H LYS 11 H LYS 11 -16.120 -3.523 -6.242
54 HA LYS 11 HA LYS 11 -14.737 -5.976 -6.090
55 HB2 LYS 11 1HB LYS 11 -13.949 -3.096 -6.099
56 HB3 LYS 11 2HB LYS 11 -12.744 -4.293 -5.644
57 HG2 LYS 11 1HG LYS 11 -12.347 -4.182 -7.877
58 HG3 LYS 11 2HG LYS 11 -13.570 -5.454 -7.866
59 HD2 LYS 11 1HD LYS 11 -14.261 -3.992 -9.562
60 HD3 LYS 11 2HD LYS 11 -15.272 -3.568 -8.178
61 HE2 LYS 11 1HE LYS 11 -14.610 -1.483 -8.849
62 HE3 LYS 11 2HE LYS 11 -13.324 -1.863 -7.704
63 HZ1 LYS 11 3HZ LYS 11 -12.073 -2.736 -9.709
64 HZ2 LYS 11 1HZ LYS 11 -12.246 -1.057 -9.595
65 HZ3 LYS 11 2HZ LYS 11 -13.223 -1.938 -10.658
66 HA PRO 12 HA PRO 12 -14.090 -6.671 -1.806
67 HB2 PRO 12 1HB PRO 12 -11.523 -7.551 -1.741
68 HB3 PRO 12 2HB PRO 12 -12.854 -8.517 -2.390
69 HG2 PRO 12 1HG PRO 12 -10.828 -6.863 -3.846
70 HG3 PRO 12 2HG PRO 12 -11.441 -8.480 -4.237
71 HD2 PRO 12 1HD PRO 12 -12.329 -6.245 -5.482
72 HD3 PRO 12 2HD PRO 12 -13.369 -7.655 -5.195
73 H TYR 13 H TYR 13 -11.208 -5.107 -3.223
74 HA TYR 13 HA TYR 13 -11.370 -2.980 -1.261
75 HB2 TYR 13 1HB TYR 13 -8.832 -4.604 -1.443
76 HB3 TYR 13 2HB TYR 13 -9.193 -3.299 -0.319
77 HD1 TYR 13 HD1 TYR 13 -10.740 -3.670 1.560
78 HD2 TYR 13 HD2 TYR 13 -9.614 -6.840 -1.045
79 HE1 TYR 13 HE1 TYR 13 -11.569 -5.304 3.200
80 HE2 TYR 13 HE2 TYR 13 -10.440 -8.483 0.587
81 HH TYR 13 HH TYR 13 -11.864 -8.676 2.446
82 H LYS 14 H LYS 14 -10.812 -1.111 -2.169
83 HA LYS 14 HA LYS 14 -9.040 -1.162 -4.520
84 HB2 LYS 14 1HB LYS 14 -11.395 -0.840 -5.202
85 HB3 LYS 14 2HB LYS 14 -11.490 0.575 -4.161
86 HG2 LYS 14 1HG LYS 14 -9.407 1.324 -5.615
87 HG3 LYS 14 2HG LYS 14 -10.153 0.229 -6.783
88 HD2 LYS 14 1HD LYS 14 -11.243 2.158 -7.332
89 HD3 LYS 14 2HD LYS 14 -12.334 1.561 -6.079
90 HE2 LYS 14 1HE LYS 14 -10.052 3.301 -5.282
91 HE3 LYS 14 2HE LYS 14 -11.447 4.044 -6.061
92 HZ1 LYS 14 3HZ LYS 14 -11.506 2.390 -3.594
93 HZ2 LYS 14 1HZ LYS 14 -12.862 3.062 -4.352
94 HZ3 LYS 14 2HZ LYS 14 -11.688 4.070 -3.670
95 H CYS 15 H CYS 15 -7.653 0.592 -4.782
96 HA CYS 15 HA CYS 15 -7.017 1.993 -2.332
97 HB2 CYS 15 1HB CYS 15 -5.294 0.960 -3.875
98 HB3 CYS 15 2HB CYS 15 -5.646 2.260 -5.009
99 H ASN 16 H ASN 16 -7.882 3.884 -1.825
100 HA ASN 16 HA ASN 16 -9.368 5.439 -3.698
101 HB2 ASN 16 1HB ASN 16 -8.517 5.948 -0.844
102 HB3 ASN 16 2HB ASN 16 -9.508 7.074 -1.767
103 HD21 ASN 16 1HD2 ASN 16 -11.519 6.168 -2.692
104 HD22 ASN 16 2HD2 ASN 16 -12.390 5.011 -1.749
105 H GLU 17 H GLU 17 -6.098 5.180 -3.131
106 HA GLU 17 HA GLU 17 -5.428 7.959 -3.594
107 HB2 GLU 17 1HB GLU 17 -3.661 5.508 -3.470
108 HB3 GLU 17 2HB GLU 17 -3.095 7.171 -3.539
109 HG2 GLU 17 1HG GLU 17 -2.970 6.358 -1.280
110 HG3 GLU 17 2HG GLU 17 -4.196 7.619 -1.392
111 H CYS 18 H CYS 18 -4.923 4.883 -5.322
112 HA CYS 18 HA CYS 18 -4.621 6.432 -7.809
113 HB2 CYS 18 1HB CYS 18 -3.431 4.429 -8.690
114 HB3 CYS 18 2HB CYS 18 -2.621 5.171 -7.314
115 H GLY 19 H GLY 19 -6.019 3.468 -6.441
116 HA2 GLY 19 1HA GLY 19 -8.408 3.107 -7.012
117 HA3 GLY 19 2HA GLY 19 -7.962 3.489 -8.669
118 H LYS 20 H LYS 20 -5.649 1.670 -6.945
119 HA LYS 20 HA LYS 20 -6.025 -0.585 -8.682
120 HB2 LYS 20 1HB LYS 20 -3.831 0.430 -7.593
121 HB3 LYS 20 2HB LYS 20 -4.218 -0.709 -6.310
122 HG2 LYS 20 1HG LYS 20 -4.166 -2.547 -7.897
123 HG3 LYS 20 2HG LYS 20 -3.835 -1.418 -9.213
124 HD2 LYS 20 1HD LYS 20 -1.731 -0.782 -8.142
125 HD3 LYS 20 2HD LYS 20 -2.066 -1.895 -6.813
126 HE2 LYS 20 1HE LYS 20 -1.781 -3.778 -8.164
127 HE3 LYS 20 2HE LYS 20 -1.978 -2.854 -9.652
128 HZ1 LYS 20 3HZ LYS 20 0.386 -3.248 -8.017
129 HZ2 LYS 20 1HZ LYS 20 0.174 -1.681 -8.618
130 HZ3 LYS 20 2HZ LYS 20 0.251 -2.992 -9.684
131 H VAL 21 H VAL 21 -6.783 -2.602 -8.195
132 HA VAL 21 HA VAL 21 -8.136 -2.875 -5.593
133 HB VAL 21 HB VAL 21 -8.764 -4.386 -8.130
134 HG11 VAL 21 1HG1 VAL 21 -9.374 -5.136 -5.646
135 HG12 VAL 21 2HG1 VAL 21 -10.719 -4.030 -5.934
136 HG13 VAL 21 3HG1 VAL 21 -10.458 -5.403 -7.011
137 HG21 VAL 21 3HG2 VAL 21 -9.722 -1.760 -7.110
138 HG22 VAL 21 1HG2 VAL 21 -9.434 -2.293 -8.766
139 HG23 VAL 21 2HG2 VAL 21 -10.880 -2.824 -7.907
140 H PHE 22 H PHE 22 -7.808 -4.660 -4.341
141 HA PHE 22 HA PHE 22 -5.955 -6.707 -5.352
142 HB2 PHE 22 1HB PHE 22 -5.852 -5.654 -2.528
143 HB3 PHE 22 2HB PHE 22 -4.683 -6.689 -3.342
144 HD1 PHE 22 HD2 PHE 22 -6.229 -3.312 -3.684
145 HD2 PHE 22 HD1 PHE 22 -2.758 -5.732 -4.147
146 HE1 PHE 22 HE2 PHE 22 -4.935 -1.325 -4.340
147 HE2 PHE 22 HE1 PHE 22 -1.459 -3.749 -4.802
148 HZ PHE 22 HZ PHE 22 -2.547 -1.542 -4.901
149 H THR 23 H THR 23 -6.749 -8.688 -5.167
150 HA THR 23 HA THR 23 -9.233 -9.357 -4.226
151 HB THR 23 HB THR 23 -8.318 -11.724 -3.989
152 HG1 THR 23 HG1 THR 23 -6.167 -11.337 -3.557
153 HG21 THR 23 3HG2 THR 23 -7.427 -10.810 -6.643
154 HG22 THR 23 1HG2 THR 23 -9.051 -10.302 -6.180
155 HG23 THR 23 2HG2 THR 23 -8.637 -12.017 -6.206
156 H GLN 24 H GLN 24 -6.217 -9.192 -2.429
157 HA GLN 24 HA GLN 24 -7.719 -9.793 0.034
158 HB2 GLN 24 1HB GLN 24 -4.787 -10.254 -0.542
159 HB3 GLN 24 2HB GLN 24 -5.571 -10.544 1.005
160 HG2 GLN 24 1HG GLN 24 -6.104 -11.971 -1.588
161 HG3 GLN 24 2HG GLN 24 -5.308 -12.623 -0.156
162 HE21 GLN 24 1HE2 GLN 24 -7.772 -13.399 -1.656
163 HE22 GLN 24 2HE2 GLN 24 -9.010 -13.484 -0.455
164 H ASN 25 H ASN 25 -7.709 -8.320 1.632
165 HA ASN 25 HA ASN 25 -7.007 -5.675 1.178
166 HB2 ASN 25 1HB ASN 25 -7.287 -5.373 3.639
167 HB3 ASN 25 2HB ASN 25 -8.614 -6.254 2.887
168 HD21 ASN 25 1HD2 ASN 25 -8.829 -8.467 3.267
169 HD22 ASN 25 2HD2 ASN 25 -8.046 -9.241 4.598
170 H SER 26 H SER 26 -5.217 -8.210 2.884
171 HA SER 26 HA SER 26 -3.136 -6.770 3.947
172 HB2 SER 26 1HB SER 26 -3.196 -9.530 2.734
173 HB3 SER 26 2HB SER 26 -1.744 -8.876 3.493
174 HG SER 26 HG SER 26 -2.745 -8.855 5.426
175 H HIS 27 H HIS 27 -3.443 -7.988 0.632
176 HA HIS 27 HA HIS 27 -0.918 -7.147 -0.279
177 HB2 HIS 27 1HB HIS 27 -3.517 -7.698 -1.704
178 HB3 HIS 27 2HB HIS 27 -2.060 -7.219 -2.569
179 HD2 HIS 27 HD2 HIS 27 -2.441 -9.985 0.246
180 HE1 HIS 27 HE1 HIS 27 -0.633 -11.675 -3.200
181 HE2 HIS 27 HE2 HIS 27 -1.463 -12.108 -0.861
182 H LEU 28 H LEU 28 -3.953 -5.467 0.112
183 HA LEU 28 HA LEU 28 -3.171 -3.173 -1.432
184 HB2 LEU 28 1HB LEU 28 -5.485 -3.597 -1.330
185 HB3 LEU 28 2HB LEU 28 -5.456 -3.764 0.425
186 HG LEU 28 HG LEU 28 -4.985 -1.323 0.586
187 HD11 LEU 28 1HD1 LEU 28 -5.498 -1.415 -2.383
188 HD12 LEU 28 2HD1 LEU 28 -4.002 -0.938 -1.580
189 HD13 LEU 28 3HD1 LEU 28 -5.449 0.056 -1.410
190 HD21 LEU 28 3HD2 LEU 28 -7.375 -2.637 0.198
191 HD22 LEU 28 1HD2 LEU 28 -7.463 -1.289 -0.936
192 HD23 LEU 28 2HD2 LEU 28 -7.181 -0.982 0.777
193 H ALA 29 H ALA 29 -3.772 -3.684 2.049
194 HA ALA 29 HA ALA 29 -3.015 -1.293 3.082
195 HB1 ALA 29 3HB ALA 29 -1.805 -3.268 4.730
196 HB2 ALA 29 1HB ALA 29 -3.327 -2.411 4.970
197 HB3 ALA 29 2HB ALA 29 -3.302 -3.930 4.073
198 H ARG 30 H ARG 30 -0.841 -3.896 2.057
199 HA ARG 30 HA ARG 30 1.541 -2.546 2.855
200 HB2 ARG 30 1HB ARG 30 2.711 -4.297 1.614
201 HB3 ARG 30 2HB ARG 30 1.449 -4.986 2.627
202 HG2 ARG 30 1HG ARG 30 -0.021 -5.089 0.627
203 HG3 ARG 30 2HG ARG 30 1.349 -4.553 -0.349
204 HD2 ARG 30 1HD ARG 30 2.600 -6.546 0.679
205 HD3 ARG 30 2HD ARG 30 1.005 -7.122 1.162
206 HE ARG 30 HE ARG 30 1.126 -6.456 -1.613
207 HH11 ARG 30 1HH1 ARG 30 1.880 -8.921 0.727
208 HH12 ARG 30 2HH1 ARG 30 1.801 -10.217 -0.420
209 HH21 ARG 30 1HH2 ARG 30 1.019 -8.154 -3.132
210 HH22 ARG 30 2HH2 ARG 30 1.312 -9.780 -2.615
211 H HIS 31 H HIS 31 -0.385 -2.646 -0.060
212 HA HIS 31 HA HIS 31 1.557 -1.451 -1.769
213 HB2 HIS 31 1HB HIS 31 -0.025 -2.507 -3.044
214 HB3 HIS 31 2HB HIS 31 -1.337 -2.108 -1.939
215 HD1 HIS 31 HD1 HIS 31 0.600 -0.729 -4.837
216 HD2 HIS 31 HD2 HIS 31 -2.681 0.267 -2.490
217 HE1 HIS 31 HE1 HIS 31 -0.512 1.193 -6.017
218 H ARG 32 H ARG 32 -1.360 -0.168 -0.172
219 HA ARG 32 HA ARG 32 -1.407 2.406 -0.940
220 HB2 ARG 32 1HB ARG 32 -1.687 1.379 1.888
221 HB3 ARG 32 2HB ARG 32 -2.147 2.998 1.380
222 HG2 ARG 32 1HG ARG 32 -3.911 2.212 0.065
223 HG3 ARG 32 2HG ARG 32 -3.286 0.561 0.060
224 HD2 ARG 32 1HD ARG 32 -4.096 0.102 2.145
225 HD3 ARG 32 2HD ARG 32 -3.973 1.778 2.680
226 HE ARG 32 HE ARG 32 -5.979 1.323 0.664
227 HH11 ARG 32 1HH1 ARG 32 -5.276 1.366 4.073
228 HH12 ARG 32 2HH1 ARG 32 -6.925 1.618 4.542
229 HH21 ARG 32 1HH2 ARG 32 -8.153 1.655 1.269
230 HH22 ARG 32 2HH2 ARG 32 -8.561 1.781 2.947
231 H GLY 33 H GLY 33 1.100 0.912 0.934
232 HA2 GLY 33 1HA GLY 33 2.295 3.113 2.145
233 HA3 GLY 33 2HA GLY 33 3.156 1.676 1.612
234 H ILE 34 H ILE 34 2.808 1.834 -1.128
235 HA ILE 34 HA ILE 34 4.895 3.419 -1.955
236 HB ILE 34 HB ILE 34 4.158 3.106 -4.221
237 HG12 ILE 34 1HG1 ILE 34 1.560 1.897 -3.394
238 HG13 ILE 34 2HG1 ILE 34 1.678 3.653 -3.430
239 HG21 ILE 34 1HG2 ILE 34 3.289 0.558 -3.833
240 HG22 ILE 34 2HG2 ILE 34 4.976 1.067 -3.768
241 HG23 ILE 34 3HG2 ILE 34 4.043 0.915 -2.279
242 HD11 ILE 34 3HD1 ILE 34 2.788 2.782 -5.837
243 HD12 ILE 34 1HD1 ILE 34 1.345 1.799 -5.591
244 HD13 ILE 34 2HD1 ILE 34 1.225 3.559 -5.590
245 H HIS 35 H HIS 35 1.697 4.381 -1.179
246 HA HIS 35 HA HIS 35 1.851 6.881 -2.651
247 HB2 HIS 35 1HB HIS 35 -0.239 5.687 -0.830
248 HB3 HIS 35 2HB HIS 35 -0.371 7.313 -1.494
249 HD1 HIS 35 HD1 HIS 35 0.337 6.972 -4.369
250 HD2 HIS 35 HD2 HIS 35 -1.916 4.164 -2.296
251 HE1 HIS 35 HE1 HIS 35 -0.945 5.708 -6.126
252 H THR 36 H THR 36 1.384 5.983 0.772
253 HA THR 36 HA THR 36 1.572 8.354 2.029
254 HB THR 36 HB THR 36 2.264 7.272 3.964
255 HG1 THR 36 HG1 THR 36 3.976 6.023 3.996
256 HG21 THR 36 3HG2 THR 36 1.116 5.203 4.045
257 HG22 THR 36 1HG2 THR 36 1.402 4.891 2.333
258 HG23 THR 36 2HG2 THR 36 0.284 6.165 2.823
259 H GLY 37 H GLY 37 4.238 6.637 0.507
260 HA2 GLY 37 1HA GLY 37 6.315 8.282 1.537
261 HA3 GLY 37 2HA GLY 37 6.429 7.228 0.135
262 H GLU 38 H GLU 38 4.862 8.187 -1.722
263 HA GLU 38 HA GLU 38 6.138 10.627 -2.498
264 HB2 GLU 38 1HB GLU 38 4.725 10.430 -4.534
265 HB3 GLU 38 2HB GLU 38 5.654 8.978 -4.187
266 HG2 GLU 38 1HG GLU 38 3.807 7.747 -3.665
267 HG3 GLU 38 2HG GLU 38 2.881 9.153 -3.142
268 H LYS 39 H LYS 39 5.286 11.778 -0.530
269 HA LYS 39 HA LYS 39 2.566 12.808 -0.974
270 HB2 LYS 39 1HB LYS 39 3.167 11.727 1.249
271 HB3 LYS 39 2HB LYS 39 4.210 13.113 1.537
272 HG2 LYS 39 1HG LYS 39 2.269 13.698 2.638
273 HG3 LYS 39 2HG LYS 39 2.086 14.512 1.082
274 HD2 LYS 39 1HD LYS 39 0.887 12.275 0.411
275 HD3 LYS 39 2HD LYS 39 0.670 12.114 2.156
276 HE2 LYS 39 1HE LYS 39 -1.266 13.197 1.280
277 HE3 LYS 39 2HE LYS 39 -0.330 14.404 2.160
278 HZ1 LYS 39 3HZ LYS 39 -0.610 14.078 -0.765
279 HZ2 LYS 39 1HZ LYS 39 0.657 14.975 -0.091
280 HZ3 LYS 39 2HZ LYS 39 -0.946 15.441 0.179
281 HA PRO 40 HA PRO 40 5.315 16.269 -2.291
282 HB2 PRO 40 1HB PRO 40 3.681 17.086 -4.300
283 HB3 PRO 40 2HB PRO 40 4.881 15.804 -4.499
284 HG2 PRO 40 1HG PRO 40 1.936 15.582 -4.010
285 HG3 PRO 40 2HG PRO 40 2.957 14.659 -5.128
286 HD2 PRO 40 1HD PRO 40 2.168 13.680 -2.730
287 HD3 PRO 40 2HD PRO 40 3.727 13.258 -3.467
288 H SER 41 H SER 41 4.456 18.614 -2.883
289 HA SER 41 HA SER 41 2.570 19.330 -0.745
290 HB2 SER 41 1HB SER 41 3.665 21.410 -0.556
291 HB3 SER 41 2HB SER 41 4.974 20.254 -0.803
292 HG SER 41 HG SER 41 4.911 20.841 -3.043
293 H GLY 42 H GLY 42 1.068 21.089 -1.131
294 HA2 GLY 42 1HA GLY 42 0.196 22.612 -2.939
295 HA3 GLY 42 2HA GLY 42 0.218 21.181 -3.960
296 HA PRO 43 HA PRO 43 -3.892 20.221 -2.795
297 HB2 PRO 43 1HB PRO 43 -3.854 17.507 -2.764
298 HB3 PRO 43 2HB PRO 43 -3.785 18.451 -4.256
299 HG2 PRO 43 1HG PRO 43 -1.560 17.156 -2.729
300 HG3 PRO 43 2HG PRO 43 -1.840 17.197 -4.480
301 HD2 PRO 43 1HD PRO 43 -0.064 18.830 -3.250
302 HD3 PRO 43 2HD PRO 43 -0.970 19.320 -4.697
303 H SER 44 H SER 44 -4.140 20.977 -0.703
304 HA SER 44 HA SER 44 -3.809 18.954 1.407
305 HB2 SER 44 1HB SER 44 -2.113 20.976 1.351
306 HB3 SER 44 2HB SER 44 -3.461 21.850 2.077
307 HG SER 44 HG SER 44 -3.422 19.752 3.480
308 H SER 45 H SER 45 -5.221 22.193 0.897
309 HA SER 45 HA SER 45 -7.431 21.604 2.640
310 HB2 SER 45 1HB SER 45 -8.119 23.850 2.279
311 HB3 SER 45 2HB SER 45 -6.357 23.894 2.305
312 HG SER 45 HG SER 45 -6.811 23.526 -0.154
313 H GLY 46 H GLY 46 -9.459 20.990 2.116
314 HA2 GLY 46 1HA GLY 46 -11.326 20.634 0.754
315 HA3 GLY 46 2HA GLY 46 -10.376 21.127 -0.640
Start of MODEL 7
1 H1 GLY 1 H GLY 1 -32.086 11.828 -17.901
2 HA2 GLY 1 1HA GLY 1 -29.845 11.712 -16.044
3 HA3 GLY 1 2HA GLY 1 -30.984 10.418 -16.386
4 H SER 2 H SER 2 -30.802 9.453 -18.616
5 HA SER 2 HA SER 2 -29.488 8.074 -19.897
6 HB2 SER 2 1HB SER 2 -27.998 9.346 -21.432
7 HB3 SER 2 2HB SER 2 -29.603 10.062 -21.291
8 HG SER 2 HG SER 2 -27.334 10.908 -19.812
9 H SER 3 H SER 3 -28.655 7.969 -17.254
10 HA SER 3 HA SER 3 -25.730 7.746 -17.548
11 HB2 SER 3 1HB SER 3 -27.364 8.537 -15.134
12 HB3 SER 3 2HB SER 3 -25.679 8.030 -15.018
13 HG SER 3 HG SER 3 -26.123 10.368 -15.237
14 H GLY 4 H GLY 4 -24.717 6.008 -16.358
15 HA2 GLY 4 1HA GLY 4 -26.039 4.011 -14.942
16 HA3 GLY 4 2HA GLY 4 -26.106 3.553 -16.638
17 H SER 5 H SER 5 -23.543 5.140 -14.755
18 HA SER 5 HA SER 5 -21.783 2.875 -15.433
19 HB2 SER 5 1HB SER 5 -19.914 4.499 -15.562
20 HB3 SER 5 2HB SER 5 -21.164 4.825 -16.762
21 HG SER 5 HG SER 5 -20.212 6.558 -15.161
22 H SER 6 H SER 6 -22.302 1.933 -13.394
23 HA SER 6 HA SER 6 -20.862 3.199 -11.163
24 HB2 SER 6 1HB SER 6 -22.575 2.404 -9.602
25 HB3 SER 6 2HB SER 6 -23.292 3.465 -10.815
26 HG SER 6 HG SER 6 -23.276 0.636 -11.011
27 H GLY 7 H GLY 7 -20.255 1.625 -9.444
28 HA2 GLY 7 1HA GLY 7 -18.820 -0.532 -10.533
29 HA3 GLY 7 2HA GLY 7 -19.116 -0.267 -8.821
30 H THR 8 H THR 8 -19.560 -2.390 -11.290
31 HA THR 8 HA THR 8 -22.145 -3.400 -10.406
32 HB THR 8 HB THR 8 -20.289 -4.399 -12.576
33 HG1 THR 8 HG1 THR 8 -22.076 -3.522 -13.890
34 HG21 THR 8 3HG2 THR 8 -21.914 -6.054 -11.418
35 HG22 THR 8 1HG2 THR 8 -21.892 -5.975 -13.179
36 HG23 THR 8 2HG2 THR 8 -23.172 -5.165 -12.276
37 H GLY 9 H GLY 9 -18.769 -4.506 -10.597
38 HA2 GLY 9 1HA GLY 9 -19.382 -6.923 -9.121
39 HA3 GLY 9 2HA GLY 9 -17.801 -6.428 -9.706
40 H LYS 10 H LYS 10 -18.992 -7.346 -7.021
41 HA LYS 10 HA LYS 10 -18.484 -5.106 -5.276
42 HB2 LYS 10 1HB LYS 10 -20.178 -6.708 -4.632
43 HB3 LYS 10 2HB LYS 10 -19.018 -8.028 -4.715
44 HG2 LYS 10 1HG LYS 10 -17.751 -6.944 -2.867
45 HG3 LYS 10 2HG LYS 10 -19.058 -5.765 -2.731
46 HD2 LYS 10 1HD LYS 10 -19.686 -7.307 -1.142
47 HD3 LYS 10 2HD LYS 10 -20.560 -7.905 -2.554
48 HE2 LYS 10 1HE LYS 10 -19.550 -9.797 -1.572
49 HE3 LYS 10 2HE LYS 10 -18.569 -9.406 -2.984
50 HZ1 LYS 10 3HZ LYS 10 -17.915 -8.587 -0.206
51 HZ2 LYS 10 1HZ LYS 10 -16.950 -8.365 -1.578
52 HZ3 LYS 10 2HZ LYS 10 -17.244 -9.925 -0.994
53 H LYS 11 H LYS 11 -16.323 -4.572 -5.767
54 HA LYS 11 HA LYS 11 -14.158 -6.344 -5.734
55 HB2 LYS 11 1HB LYS 11 -12.781 -4.296 -5.297
56 HB3 LYS 11 2HB LYS 11 -13.874 -4.159 -6.668
57 HG2 LYS 11 1HG LYS 11 -15.485 -3.001 -5.103
58 HG3 LYS 11 2HG LYS 11 -14.156 -2.928 -3.943
59 HD2 LYS 11 1HD LYS 11 -14.019 -0.877 -5.028
60 HD3 LYS 11 2HD LYS 11 -12.827 -1.858 -5.883
61 HE2 LYS 11 1HE LYS 11 -14.091 -0.675 -7.521
62 HE3 LYS 11 2HE LYS 11 -14.591 -2.364 -7.584
63 HZ1 LYS 11 3HZ LYS 11 -16.154 -0.748 -5.783
64 HZ2 LYS 11 1HZ LYS 11 -16.658 -1.848 -6.965
65 HZ3 LYS 11 2HZ LYS 11 -16.266 -0.261 -7.399
66 HA PRO 12 HA PRO 12 -13.661 -7.348 -1.476
67 HB2 PRO 12 1HB PRO 12 -11.025 -7.994 -1.491
68 HB3 PRO 12 2HB PRO 12 -12.272 -9.033 -2.190
69 HG2 PRO 12 1HG PRO 12 -10.425 -7.111 -3.553
70 HG3 PRO 12 2HG PRO 12 -10.896 -8.748 -4.043
71 HD2 PRO 12 1HD PRO 12 -11.999 -6.528 -5.132
72 HD3 PRO 12 2HD PRO 12 -12.904 -8.042 -4.928
73 H TYR 13 H TYR 13 -10.951 -5.443 -2.811
74 HA TYR 13 HA TYR 13 -11.281 -3.457 -0.731
75 HB2 TYR 13 1HB TYR 13 -8.639 -4.904 -0.979
76 HB3 TYR 13 2HB TYR 13 -9.052 -3.637 0.171
77 HD1 TYR 13 HD1 TYR 13 -10.643 -4.119 2.018
78 HD2 TYR 13 HD2 TYR 13 -9.217 -7.180 -0.570
79 HE1 TYR 13 HE1 TYR 13 -11.369 -5.820 3.640
80 HE2 TYR 13 HE2 TYR 13 -9.940 -8.889 1.044
81 HH TYR 13 HH TYR 13 -10.496 -8.424 4.088
82 H LYS 14 H LYS 14 -11.003 -1.532 -1.627
83 HA LYS 14 HA LYS 14 -9.275 -1.325 -4.006
84 HB2 LYS 14 1HB LYS 14 -11.582 -0.948 -4.609
85 HB3 LYS 14 2HB LYS 14 -11.782 0.204 -3.296
86 HG2 LYS 14 1HG LYS 14 -10.055 1.635 -4.422
87 HG3 LYS 14 2HG LYS 14 -10.148 0.534 -5.798
88 HD2 LYS 14 1HD LYS 14 -12.738 1.012 -5.542
89 HD3 LYS 14 2HD LYS 14 -12.146 2.492 -4.784
90 HE2 LYS 14 1HE LYS 14 -10.645 2.690 -6.874
91 HE3 LYS 14 2HE LYS 14 -11.747 1.514 -7.590
92 HZ1 LYS 14 3HZ LYS 14 -13.081 3.197 -8.073
93 HZ2 LYS 14 1HZ LYS 14 -12.106 4.296 -7.233
94 HZ3 LYS 14 2HZ LYS 14 -13.329 3.458 -6.420
95 H CYS 15 H CYS 15 -7.939 0.483 -4.220
96 HA CYS 15 HA CYS 15 -7.165 1.689 -1.693
97 HB2 CYS 15 1HB CYS 15 -5.513 0.736 -3.365
98 HB3 CYS 15 2HB CYS 15 -5.889 2.112 -4.397
99 H ASN 16 H ASN 16 -7.983 3.555 -1.043
100 HA ASN 16 HA ASN 16 -9.461 5.254 -2.825
101 HB2 ASN 16 1HB ASN 16 -9.839 4.763 -0.272
102 HB3 ASN 16 2HB ASN 16 -8.696 6.084 -0.051
103 HD21 ASN 16 1HD2 ASN 16 -11.893 5.196 -0.845
104 HD22 ASN 16 2HD2 ASN 16 -12.518 6.788 -1.092
105 H GLU 17 H GLU 17 -6.317 4.855 -2.688
106 HA GLU 17 HA GLU 17 -5.570 7.686 -2.636
107 HB2 GLU 17 1HB GLU 17 -3.804 5.242 -2.849
108 HB3 GLU 17 2HB GLU 17 -3.260 6.899 -2.630
109 HG2 GLU 17 1HG GLU 17 -5.073 5.568 -0.651
110 HG3 GLU 17 2HG GLU 17 -3.322 5.375 -0.586
111 H CYS 18 H CYS 18 -5.138 4.823 -4.713
112 HA CYS 18 HA CYS 18 -4.768 6.640 -7.000
113 HB2 CYS 18 1HB CYS 18 -3.713 4.664 -8.119
114 HB3 CYS 18 2HB CYS 18 -2.842 5.231 -6.698
115 H GLY 19 H GLY 19 -6.339 3.620 -5.989
116 HA2 GLY 19 1HA GLY 19 -8.738 3.450 -6.583
117 HA3 GLY 19 2HA GLY 19 -8.283 4.030 -8.179
118 H LYS 20 H LYS 20 -6.347 1.727 -6.403
119 HA LYS 20 HA LYS 20 -6.832 -0.236 -8.514
120 HB2 LYS 20 1HB LYS 20 -4.674 0.161 -6.472
121 HB3 LYS 20 2HB LYS 20 -4.892 -1.417 -7.217
122 HG2 LYS 20 1HG LYS 20 -4.410 -0.576 -9.370
123 HG3 LYS 20 2HG LYS 20 -4.532 1.098 -8.821
124 HD2 LYS 20 1HD LYS 20 -2.551 0.787 -7.423
125 HD3 LYS 20 2HD LYS 20 -2.434 -0.893 -7.953
126 HE2 LYS 20 1HE LYS 20 -0.892 0.265 -9.286
127 HE3 LYS 20 2HE LYS 20 -2.301 0.041 -10.322
128 HZ1 LYS 20 3HZ LYS 20 -2.954 2.284 -9.966
129 HZ2 LYS 20 1HZ LYS 20 -1.316 2.306 -10.389
130 HZ3 LYS 20 2HZ LYS 20 -1.776 2.518 -8.775
131 H VAL 21 H VAL 21 -6.599 -2.611 -7.606
132 HA VAL 21 HA VAL 21 -8.159 -2.928 -5.147
133 HB VAL 21 HB VAL 21 -8.884 -4.428 -7.660
134 HG11 VAL 21 1HG1 VAL 21 -9.392 -5.077 -5.092
135 HG12 VAL 21 2HG1 VAL 21 -10.798 -4.073 -5.450
136 HG13 VAL 21 3HG1 VAL 21 -10.452 -5.492 -6.439
137 HG21 VAL 21 3HG2 VAL 21 -10.668 -2.954 -8.061
138 HG22 VAL 21 1HG2 VAL 21 -10.482 -2.169 -6.493
139 HG23 VAL 21 2HG2 VAL 21 -9.281 -1.908 -7.757
140 H PHE 22 H PHE 22 -7.732 -4.782 -4.010
141 HA PHE 22 HA PHE 22 -5.830 -6.684 -5.198
142 HB2 PHE 22 1HB PHE 22 -5.668 -5.609 -2.375
143 HB3 PHE 22 2HB PHE 22 -4.569 -6.767 -3.117
144 HD1 PHE 22 HD2 PHE 22 -5.833 -3.290 -3.475
145 HD2 PHE 22 HD1 PHE 22 -2.652 -6.027 -4.184
146 HE1 PHE 22 HE2 PHE 22 -4.416 -1.436 -4.254
147 HE2 PHE 22 HE1 PHE 22 -1.229 -4.177 -4.964
148 HZ PHE 22 HZ PHE 22 -2.111 -1.878 -5.001
149 H THR 23 H THR 23 -6.687 -8.642 -5.201
150 HA THR 23 HA THR 23 -9.024 -9.531 -4.248
151 HB THR 23 HB THR 23 -8.064 -11.824 -4.075
152 HG1 THR 23 HG1 THR 23 -6.025 -11.785 -3.453
153 HG21 THR 23 3HG2 THR 23 -8.523 -11.686 -6.263
154 HG22 THR 23 1HG2 THR 23 -6.797 -11.410 -6.492
155 HG23 THR 23 2HG2 THR 23 -7.901 -10.040 -6.373
156 H GLN 24 H GLN 24 -6.050 -9.321 -2.350
157 HA GLN 24 HA GLN 24 -7.636 -9.905 0.064
158 HB2 GLN 24 1HB GLN 24 -4.712 -10.422 -0.492
159 HB3 GLN 24 2HB GLN 24 -5.451 -10.586 1.095
160 HG2 GLN 24 1HG GLN 24 -7.009 -12.266 0.113
161 HG3 GLN 24 2HG GLN 24 -6.071 -12.181 -1.377
162 HE21 GLN 24 1HE2 GLN 24 -3.887 -12.884 -1.339
163 HE22 GLN 24 2HE2 GLN 24 -3.346 -14.019 -0.154
164 H ASN 25 H ASN 25 -7.657 -8.442 1.676
165 HA ASN 25 HA ASN 25 -7.020 -5.792 1.266
166 HB2 ASN 25 1HB ASN 25 -8.547 -6.452 3.020
167 HB3 ASN 25 2HB ASN 25 -7.263 -7.303 3.874
168 HD21 ASN 25 1HD2 ASN 25 -5.939 -6.199 5.209
169 HD22 ASN 25 2HD2 ASN 25 -6.074 -4.506 5.528
170 H SER 26 H SER 26 -5.158 -8.164 3.165
171 HA SER 26 HA SER 26 -3.078 -6.687 4.059
172 HB2 SER 26 1HB SER 26 -3.174 -9.482 2.968
173 HB3 SER 26 2HB SER 26 -1.638 -8.792 3.491
174 HG SER 26 HG SER 26 -3.948 -8.801 5.126
175 H HIS 27 H HIS 27 -3.378 -8.009 0.779
176 HA HIS 27 HA HIS 27 -0.916 -7.118 -0.209
177 HB2 HIS 27 1HB HIS 27 -3.542 -7.779 -1.511
178 HB3 HIS 27 2HB HIS 27 -2.198 -7.160 -2.466
179 HD2 HIS 27 HD2 HIS 27 -2.439 -10.125 0.169
180 HE1 HIS 27 HE1 HIS 27 -0.238 -11.381 -3.233
181 HE2 HIS 27 HE2 HIS 27 -1.211 -12.069 -1.015
182 H LEU 28 H LEU 28 -4.084 -5.538 -0.131
183 HA LEU 28 HA LEU 28 -3.294 -3.229 -1.570
184 HB2 LEU 28 1HB LEU 28 -5.597 -3.674 -1.476
185 HB3 LEU 28 2HB LEU 28 -5.576 -3.845 0.278
186 HG LEU 28 HG LEU 28 -5.198 -1.416 0.483
187 HD11 LEU 28 1HD1 LEU 28 -4.168 -1.316 -1.880
188 HD12 LEU 28 2HD1 LEU 28 -5.150 0.038 -1.324
189 HD13 LEU 28 3HD1 LEU 28 -5.836 -1.152 -2.430
190 HD21 LEU 28 3HD2 LEU 28 -7.438 -0.755 -0.016
191 HD22 LEU 28 1HD2 LEU 28 -7.474 -2.443 0.494
192 HD23 LEU 28 2HD2 LEU 28 -7.608 -2.037 -1.217
193 H ALA 29 H ALA 29 -3.716 -3.828 1.914
194 HA ALA 29 HA ALA 29 -3.081 -1.369 2.936
195 HB1 ALA 29 3HB ALA 29 -3.777 -3.345 4.260
196 HB2 ALA 29 1HB ALA 29 -2.144 -3.990 4.093
197 HB3 ALA 29 2HB ALA 29 -2.411 -2.478 4.962
198 H ARG 30 H ARG 30 -0.780 -3.957 2.105
199 HA ARG 30 HA ARG 30 1.542 -2.514 2.787
200 HB2 ARG 30 1HB ARG 30 2.744 -4.204 1.463
201 HB3 ARG 30 2HB ARG 30 1.565 -4.936 2.542
202 HG2 ARG 30 1HG ARG 30 0.106 -5.452 0.781
203 HG3 ARG 30 2HG ARG 30 0.940 -4.368 -0.335
204 HD2 ARG 30 1HD ARG 30 2.442 -6.639 0.880
205 HD3 ARG 30 2HD ARG 30 1.317 -6.964 -0.438
206 HE ARG 30 HE ARG 30 3.177 -4.831 -0.972
207 HH11 ARG 30 1HH1 ARG 30 2.608 -8.262 -1.126
208 HH12 ARG 30 2HH1 ARG 30 3.759 -8.528 -2.394
209 HH21 ARG 30 1HH2 ARG 30 4.695 -5.168 -2.641
210 HH22 ARG 30 2HH2 ARG 30 4.946 -6.767 -3.254
211 H HIS 31 H HIS 31 -0.391 -2.657 -0.128
212 HA HIS 31 HA HIS 31 1.476 -1.404 -1.855
213 HB2 HIS 31 1HB HIS 31 -0.150 -2.426 -3.099
214 HB3 HIS 31 2HB HIS 31 -1.423 -2.052 -1.941
215 HD1 HIS 31 HD1 HIS 31 0.391 -0.635 -4.894
216 HD2 HIS 31 HD2 HIS 31 -2.760 0.360 -2.374
217 HE1 HIS 31 HE1 HIS 31 -0.755 1.318 -5.989
218 H ARG 32 H ARG 32 -1.402 -0.128 -0.179
219 HA ARG 32 HA ARG 32 -1.431 2.460 -0.897
220 HB2 ARG 32 1HB ARG 32 -1.664 1.437 1.938
221 HB3 ARG 32 2HB ARG 32 -2.193 3.024 1.395
222 HG2 ARG 32 1HG ARG 32 -3.775 1.929 -0.152
223 HG3 ARG 32 2HG ARG 32 -3.284 0.365 0.500
224 HD2 ARG 32 1HD ARG 32 -5.342 1.119 1.548
225 HD3 ARG 32 2HD ARG 32 -4.031 1.066 2.726
226 HE ARG 32 HE ARG 32 -5.415 3.415 1.756
227 HH11 ARG 32 1HH1 ARG 32 -2.629 2.146 3.413
228 HH12 ARG 32 2HH1 ARG 32 -2.272 3.634 4.226
229 HH21 ARG 32 1HH2 ARG 32 -4.956 5.380 2.821
230 HH22 ARG 32 2HH2 ARG 32 -3.597 5.472 3.889
231 H GLY 33 H GLY 33 1.080 0.905 0.918
232 HA2 GLY 33 1HA GLY 33 2.308 3.077 2.156
233 HA3 GLY 33 2HA GLY 33 3.146 1.636 1.601
234 H ILE 34 H ILE 34 2.785 1.828 -1.134
235 HA ILE 34 HA ILE 34 4.890 3.363 -1.974
236 HB ILE 34 HB ILE 34 4.092 3.140 -4.229
237 HG12 ILE 34 1HG1 ILE 34 1.462 2.022 -3.376
238 HG13 ILE 34 2HG1 ILE 34 1.655 3.771 -3.368
239 HG21 ILE 34 1HG2 ILE 34 4.649 0.998 -4.095
240 HG22 ILE 34 2HG2 ILE 34 4.225 0.980 -2.383
241 HG23 ILE 34 3HG2 ILE 34 3.002 0.607 -3.598
242 HD11 ILE 34 3HD1 ILE 34 2.658 2.701 -5.823
243 HD12 ILE 34 1HD1 ILE 34 1.018 2.120 -5.534
244 HD13 ILE 34 2HD1 ILE 34 1.350 3.852 -5.554
245 H HIS 35 H HIS 35 1.724 4.421 -1.148
246 HA HIS 35 HA HIS 35 1.907 6.934 -2.565
247 HB2 HIS 35 1HB HIS 35 -0.078 5.950 -0.505
248 HB3 HIS 35 2HB HIS 35 -0.218 7.463 -1.394
249 HD1 HIS 35 HD1 HIS 35 0.329 6.622 -4.228
250 HD2 HIS 35 HD2 HIS 35 -1.949 4.341 -1.607
251 HE1 HIS 35 HE1 HIS 35 -1.120 5.171 -5.684
252 H THR 36 H THR 36 1.821 5.958 0.863
253 HA THR 36 HA THR 36 2.374 8.516 1.902
254 HB THR 36 HB THR 36 3.118 7.234 3.967
255 HG1 THR 36 HG1 THR 36 3.612 5.216 3.556
256 HG21 THR 36 3HG2 THR 36 0.645 6.035 3.902
257 HG22 THR 36 1HG2 THR 36 0.486 7.318 2.703
258 HG23 THR 36 2HG2 THR 36 0.960 7.710 4.356
259 H GLY 37 H GLY 37 4.356 9.098 3.139
260 HA2 GLY 37 1HA GLY 37 6.706 8.957 3.470
261 HA3 GLY 37 2HA GLY 37 6.815 7.922 2.053
262 H GLU 38 H GLU 38 5.284 11.101 2.479
263 HA GLU 38 HA GLU 38 5.352 12.908 1.043
264 HB2 GLU 38 1HB GLU 38 8.168 12.476 2.010
265 HB3 GLU 38 2HB GLU 38 7.746 13.863 1.015
266 HG2 GLU 38 1HG GLU 38 6.221 14.669 2.664
267 HG3 GLU 38 2HG GLU 38 6.397 13.198 3.619
268 H LYS 39 H LYS 39 5.140 10.702 -0.533
269 HA LYS 39 HA LYS 39 7.141 11.076 -2.655
270 HB2 LYS 39 1HB LYS 39 5.436 8.776 -1.813
271 HB3 LYS 39 2HB LYS 39 5.874 8.908 -3.511
272 HG2 LYS 39 1HG LYS 39 8.001 9.110 -1.431
273 HG3 LYS 39 2HG LYS 39 7.350 7.528 -1.867
274 HD2 LYS 39 1HD LYS 39 7.856 8.062 -4.254
275 HD3 LYS 39 2HD LYS 39 8.662 9.532 -3.701
276 HE2 LYS 39 1HE LYS 39 9.438 6.885 -2.551
277 HE3 LYS 39 2HE LYS 39 10.044 7.361 -4.137
278 HZ1 LYS 39 3HZ LYS 39 11.516 8.702 -3.195
279 HZ2 LYS 39 1HZ LYS 39 11.079 8.071 -1.688
280 HZ3 LYS 39 2HZ LYS 39 10.333 9.474 -2.265
281 HA PRO 40 HA PRO 40 4.169 13.114 -5.182
282 HB2 PRO 40 1HB PRO 40 5.245 12.597 -7.620
283 HB3 PRO 40 2HB PRO 40 5.944 13.761 -6.489
284 HG2 PRO 40 1HG PRO 40 6.748 10.929 -7.029
285 HG3 PRO 40 2HG PRO 40 7.772 12.359 -6.809
286 HD2 PRO 40 1HD PRO 40 7.349 10.553 -4.837
287 HD3 PRO 40 2HD PRO 40 7.607 12.279 -4.511
288 H SER 41 H SER 41 2.285 11.919 -4.923
289 HA SER 41 HA SER 41 1.891 9.731 -6.859
290 HB2 SER 41 1HB SER 41 0.161 8.860 -5.265
291 HB3 SER 41 2HB SER 41 1.804 8.819 -4.627
292 HG SER 41 HG SER 41 0.006 10.948 -4.125
293 H GLY 42 H GLY 42 -0.018 9.679 -8.032
294 HA2 GLY 42 1HA GLY 42 -2.033 10.441 -8.884
295 HA3 GLY 42 2HA GLY 42 -2.115 11.597 -7.564
296 HA PRO 43 HA PRO 43 0.659 13.672 -10.936
297 HB2 PRO 43 1HB PRO 43 0.867 12.381 -13.315
298 HB3 PRO 43 2HB PRO 43 1.990 12.115 -11.976
299 HG2 PRO 43 1HG PRO 43 -0.366 10.475 -12.826
300 HG3 PRO 43 2HG PRO 43 1.247 9.938 -12.320
301 HD2 PRO 43 1HD PRO 43 -0.893 9.888 -10.662
302 HD3 PRO 43 2HD PRO 43 0.759 10.175 -10.080
303 H SER 44 H SER 44 -2.010 11.724 -12.243
304 HA SER 44 HA SER 44 -3.544 14.062 -12.851
305 HB2 SER 44 1HB SER 44 -2.201 14.212 -14.816
306 HB3 SER 44 2HB SER 44 -2.305 12.475 -15.103
307 HG SER 44 HG SER 44 -4.299 12.699 -15.872
308 H SER 45 H SER 45 -5.685 13.539 -13.666
309 HA SER 45 HA SER 45 -6.430 10.711 -13.433
310 HB2 SER 45 1HB SER 45 -8.310 11.236 -11.982
311 HB3 SER 45 2HB SER 45 -6.818 11.806 -11.234
312 HG SER 45 HG SER 45 -8.787 13.333 -12.582
313 H GLY 46 H GLY 46 -8.710 10.333 -14.186
314 HA2 GLY 46 1HA GLY 46 -10.046 12.263 -15.779
315 HA3 GLY 46 2HA GLY 46 -9.054 11.228 -16.796
Start of MODEL 8
1 H1 GLY 1 H GLY 1 -28.866 15.403 -8.843
2 HA2 GLY 1 1HA GLY 1 -26.827 15.196 -10.434
3 HA3 GLY 1 2HA GLY 1 -26.497 15.409 -8.721
4 H SER 2 H SER 2 -24.602 14.275 -8.631
5 HA SER 2 HA SER 2 -23.234 12.469 -8.432
6 HB2 SER 2 1HB SER 2 -25.081 11.612 -7.013
7 HB3 SER 2 2HB SER 2 -25.810 10.876 -8.440
8 HG SER 2 HG SER 2 -24.048 9.521 -8.617
9 H SER 3 H SER 3 -23.562 13.452 -10.985
10 HA SER 3 HA SER 3 -24.065 11.267 -12.808
11 HB2 SER 3 1HB SER 3 -24.654 13.592 -13.413
12 HB3 SER 3 2HB SER 3 -22.947 14.028 -13.355
13 HG SER 3 HG SER 3 -22.883 12.072 -14.936
14 H GLY 4 H GLY 4 -22.454 9.798 -11.969
15 HA2 GLY 4 1HA GLY 4 -20.238 9.423 -13.472
16 HA3 GLY 4 2HA GLY 4 -19.662 10.507 -12.214
17 H SER 5 H SER 5 -21.511 7.482 -12.569
18 HA SER 5 HA SER 5 -19.787 6.180 -10.649
19 HB2 SER 5 1HB SER 5 -21.503 7.331 -9.239
20 HB3 SER 5 2HB SER 5 -22.749 6.392 -10.062
21 HG SER 5 HG SER 5 -21.524 5.659 -7.944
22 H SER 6 H SER 6 -19.392 4.234 -11.443
23 HA SER 6 HA SER 6 -21.428 2.441 -12.275
24 HB2 SER 6 1HB SER 6 -21.049 4.130 -14.258
25 HB3 SER 6 2HB SER 6 -19.617 3.144 -14.556
26 HG SER 6 HG SER 6 -21.981 2.624 -15.404
27 H GLY 7 H GLY 7 -20.586 0.341 -12.872
28 HA2 GLY 7 1HA GLY 7 -18.081 -0.547 -13.251
29 HA3 GLY 7 2HA GLY 7 -18.067 -0.188 -11.531
30 H THR 8 H THR 8 -17.537 -2.704 -12.150
31 HA THR 8 HA THR 8 -19.656 -4.150 -10.904
32 HB THR 8 HB THR 8 -20.374 -3.988 -13.363
33 HG1 THR 8 HG1 THR 8 -21.003 -5.636 -11.700
34 HG21 THR 8 3HG2 THR 8 -18.243 -4.399 -14.423
35 HG22 THR 8 1HG2 THR 8 -19.347 -5.712 -14.829
36 HG23 THR 8 2HG2 THR 8 -18.097 -5.956 -13.609
37 H GLY 9 H GLY 9 -19.011 -6.192 -10.177
38 HA2 GLY 9 1HA GLY 9 -17.276 -8.010 -10.636
39 HA3 GLY 9 2HA GLY 9 -16.120 -6.696 -10.470
40 H LYS 10 H LYS 10 -17.977 -5.546 -8.335
41 HA LYS 10 HA LYS 10 -18.040 -5.511 -6.061
42 HB2 LYS 10 1HB LYS 10 -18.012 -8.523 -6.332
43 HB3 LYS 10 2HB LYS 10 -18.540 -7.610 -4.924
44 HG2 LYS 10 1HG LYS 10 -20.427 -6.748 -6.098
45 HG3 LYS 10 2HG LYS 10 -19.843 -7.407 -7.628
46 HD2 LYS 10 1HD LYS 10 -21.549 -8.870 -6.865
47 HD3 LYS 10 2HD LYS 10 -20.014 -9.692 -6.577
48 HE2 LYS 10 1HE LYS 10 -20.078 -9.063 -4.241
49 HE3 LYS 10 2HE LYS 10 -21.545 -8.122 -4.506
50 HZ1 LYS 10 3HZ LYS 10 -21.658 -10.917 -5.297
51 HZ2 LYS 10 1HZ LYS 10 -22.825 -9.958 -4.535
52 HZ3 LYS 10 2HZ LYS 10 -21.559 -10.625 -3.633
53 H LYS 11 H LYS 11 -15.523 -5.159 -7.116
54 HA LYS 11 HA LYS 11 -13.399 -6.657 -6.463
55 HB2 LYS 11 1HB LYS 11 -12.117 -4.639 -6.086
56 HB3 LYS 11 2HB LYS 11 -13.272 -4.362 -7.382
57 HG2 LYS 11 1HG LYS 11 -14.770 -3.419 -5.471
58 HG3 LYS 11 2HG LYS 11 -13.237 -3.266 -4.610
59 HD2 LYS 11 1HD LYS 11 -13.503 -1.197 -5.665
60 HD3 LYS 11 2HD LYS 11 -12.397 -2.075 -6.724
61 HE2 LYS 11 1HE LYS 11 -13.891 -1.224 -8.250
62 HE3 LYS 11 2HE LYS 11 -14.602 -2.804 -7.927
63 HZ1 LYS 11 3HZ LYS 11 -16.403 -1.878 -7.031
64 HZ2 LYS 11 1HZ LYS 11 -15.894 -0.431 -7.744
65 HZ3 LYS 11 2HZ LYS 11 -15.513 -0.758 -6.129
66 HA PRO 12 HA PRO 12 -13.580 -7.582 -2.154
67 HB2 PRO 12 1HB PRO 12 -10.996 -8.337 -1.808
68 HB3 PRO 12 2HB PRO 12 -12.189 -9.345 -2.636
69 HG2 PRO 12 1HG PRO 12 -10.096 -7.547 -3.797
70 HG3 PRO 12 2HG PRO 12 -10.573 -9.179 -4.300
71 HD2 PRO 12 1HD PRO 12 -11.425 -6.951 -5.583
72 HD3 PRO 12 2HD PRO 12 -12.416 -8.419 -5.458
73 H TYR 13 H TYR 13 -10.629 -5.843 -3.169
74 HA TYR 13 HA TYR 13 -11.120 -3.839 -1.113
75 HB2 TYR 13 1HB TYR 13 -8.473 -5.289 -1.273
76 HB3 TYR 13 2HB TYR 13 -8.919 -4.027 -0.131
77 HD1 TYR 13 HD1 TYR 13 -10.470 -4.508 1.710
78 HD2 TYR 13 HD2 TYR 13 -9.196 -7.564 -0.962
79 HE1 TYR 13 HE1 TYR 13 -11.270 -6.214 3.290
80 HE2 TYR 13 HE2 TYR 13 -9.993 -9.279 0.611
81 HH TYR 13 HH TYR 13 -11.740 -8.409 3.549
82 H LYS 14 H LYS 14 -11.061 -1.994 -2.199
83 HA LYS 14 HA LYS 14 -9.111 -1.691 -4.382
84 HB2 LYS 14 1HB LYS 14 -11.543 -1.455 -4.945
85 HB3 LYS 14 2HB LYS 14 -11.601 -0.052 -3.886
86 HG2 LYS 14 1HG LYS 14 -9.747 0.917 -5.333
87 HG3 LYS 14 2HG LYS 14 -10.123 -0.374 -6.477
88 HD2 LYS 14 1HD LYS 14 -12.550 0.453 -6.297
89 HD3 LYS 14 2HD LYS 14 -11.855 1.905 -5.572
90 HE2 LYS 14 1HE LYS 14 -12.115 2.327 -7.901
91 HE3 LYS 14 2HE LYS 14 -10.393 2.105 -7.596
92 HZ1 LYS 14 3HZ LYS 14 -10.670 0.791 -9.419
93 HZ2 LYS 14 1HZ LYS 14 -12.263 0.370 -9.036
94 HZ3 LYS 14 2HZ LYS 14 -10.976 -0.355 -8.213
95 H CYS 15 H CYS 15 -7.813 0.137 -4.498
96 HA CYS 15 HA CYS 15 -7.213 1.361 -1.954
97 HB2 CYS 15 1HB CYS 15 -5.517 0.591 -3.728
98 HB3 CYS 15 2HB CYS 15 -5.936 2.070 -4.588
99 H ASN 16 H ASN 16 -7.973 3.240 -1.250
100 HA ASN 16 HA ASN 16 -9.681 4.837 -2.928
101 HB2 ASN 16 1HB ASN 16 -8.756 5.350 -0.092
102 HB3 ASN 16 2HB ASN 16 -10.087 6.157 -0.916
103 HD21 ASN 16 1HD2 ASN 16 -11.520 4.275 -2.045
104 HD22 ASN 16 2HD2 ASN 16 -12.094 3.118 -0.898
105 H GLU 17 H GLU 17 -6.477 4.637 -2.862
106 HA GLU 17 HA GLU 17 -5.957 7.520 -2.952
107 HB2 GLU 17 1HB GLU 17 -3.984 5.232 -3.062
108 HB3 GLU 17 2HB GLU 17 -3.599 6.939 -2.889
109 HG2 GLU 17 1HG GLU 17 -5.219 5.390 -0.887
110 HG3 GLU 17 2HG GLU 17 -3.471 5.596 -0.787
111 H CYS 18 H CYS 18 -5.212 4.601 -4.862
112 HA CYS 18 HA CYS 18 -5.037 6.309 -7.251
113 HB2 CYS 18 1HB CYS 18 -3.773 4.412 -8.261
114 HB3 CYS 18 2HB CYS 18 -2.983 5.105 -6.849
115 H GLY 19 H GLY 19 -6.259 3.172 -6.108
116 HA2 GLY 19 1HA GLY 19 -8.657 2.772 -6.686
117 HA3 GLY 19 2HA GLY 19 -8.221 3.256 -8.318
118 H LYS 20 H LYS 20 -5.827 1.452 -6.709
119 HA LYS 20 HA LYS 20 -6.174 -0.747 -8.537
120 HB2 LYS 20 1HB LYS 20 -3.974 0.338 -7.528
121 HB3 LYS 20 2HB LYS 20 -4.234 -0.865 -6.272
122 HG2 LYS 20 1HG LYS 20 -4.224 -2.630 -7.974
123 HG3 LYS 20 2HG LYS 20 -3.928 -1.414 -9.218
124 HD2 LYS 20 1HD LYS 20 -1.765 -1.038 -8.526
125 HD3 LYS 20 2HD LYS 20 -2.093 -1.556 -6.870
126 HE2 LYS 20 1HE LYS 20 -2.245 -3.875 -7.624
127 HE3 LYS 20 2HE LYS 20 -1.942 -3.362 -9.283
128 HZ1 LYS 20 3HZ LYS 20 0.041 -4.233 -8.102
129 HZ2 LYS 20 1HZ LYS 20 -0.045 -2.913 -7.047
130 HZ3 LYS 20 2HZ LYS 20 0.240 -2.661 -8.695
131 H VAL 21 H VAL 21 -6.805 -2.816 -8.084
132 HA VAL 21 HA VAL 21 -8.010 -3.240 -5.431
133 HB VAL 21 HB VAL 21 -8.669 -4.647 -8.022
134 HG11 VAL 21 1HG1 VAL 21 -10.211 -4.677 -5.438
135 HG12 VAL 21 2HG1 VAL 21 -10.457 -5.686 -6.864
136 HG13 VAL 21 3HG1 VAL 21 -9.021 -5.906 -5.864
137 HG21 VAL 21 3HG2 VAL 21 -10.241 -2.531 -6.553
138 HG22 VAL 21 1HG2 VAL 21 -9.310 -2.265 -8.028
139 HG23 VAL 21 2HG2 VAL 21 -10.708 -3.340 -8.049
140 H PHE 22 H PHE 22 -7.636 -5.131 -4.305
141 HA PHE 22 HA PHE 22 -5.674 -7.001 -5.434
142 HB2 PHE 22 1HB PHE 22 -5.529 -6.049 -2.575
143 HB3 PHE 22 2HB PHE 22 -4.336 -6.988 -3.467
144 HD1 PHE 22 HD2 PHE 22 -6.037 -3.676 -3.516
145 HD2 PHE 22 HD1 PHE 22 -2.527 -5.912 -4.408
146 HE1 PHE 22 HE2 PHE 22 -4.875 -1.598 -4.137
147 HE2 PHE 22 HE1 PHE 22 -1.359 -3.838 -5.029
148 HZ PHE 22 HZ PHE 22 -2.533 -1.677 -4.895
149 H THR 23 H THR 23 -6.264 -9.057 -5.221
150 HA THR 23 HA THR 23 -8.692 -9.928 -4.317
151 HB THR 23 HB THR 23 -6.168 -11.586 -4.193
152 HG1 THR 23 HG1 THR 23 -6.976 -12.162 -6.400
153 HG21 THR 23 3HG2 THR 23 -7.972 -12.753 -3.167
154 HG22 THR 23 1HG2 THR 23 -7.793 -13.420 -4.789
155 HG23 THR 23 2HG2 THR 23 -9.091 -12.278 -4.443
156 H GLN 24 H GLN 24 -5.699 -9.632 -2.468
157 HA GLN 24 HA GLN 24 -7.202 -10.320 -0.031
158 HB2 GLN 24 1HB GLN 24 -4.234 -10.487 -0.578
159 HB3 GLN 24 2HB GLN 24 -4.983 -10.813 0.979
160 HG2 GLN 24 1HG GLN 24 -6.140 -12.708 0.107
161 HG3 GLN 24 2HG GLN 24 -5.634 -12.322 -1.538
162 HE21 GLN 24 1HE2 GLN 24 -5.225 -14.739 0.079
163 HE22 GLN 24 2HE2 GLN 24 -3.517 -14.994 0.115
164 H ASN 25 H ASN 25 -7.510 -8.790 1.453
165 HA ASN 25 HA ASN 25 -7.045 -6.113 1.047
166 HB2 ASN 25 1HB ASN 25 -7.830 -5.754 3.205
167 HB3 ASN 25 2HB ASN 25 -8.476 -7.353 2.848
168 HD21 ASN 25 1HD2 ASN 25 -7.557 -9.163 3.831
169 HD22 ASN 25 2HD2 ASN 25 -6.567 -9.027 5.241
170 H SER 26 H SER 26 -5.022 -8.418 2.823
171 HA SER 26 HA SER 26 -3.139 -6.761 3.920
172 HB2 SER 26 1HB SER 26 -2.837 -9.495 2.680
173 HB3 SER 26 2HB SER 26 -1.505 -8.683 3.502
174 HG SER 26 HG SER 26 -2.357 -9.569 5.211
175 H HIS 27 H HIS 27 -3.289 -7.926 0.583
176 HA HIS 27 HA HIS 27 -0.847 -6.888 -0.308
177 HB2 HIS 27 1HB HIS 27 -3.430 -7.545 -1.703
178 HB3 HIS 27 2HB HIS 27 -2.072 -6.854 -2.587
179 HD2 HIS 27 HD2 HIS 27 -1.737 -9.722 0.100
180 HE1 HIS 27 HE1 HIS 27 -0.453 -11.168 -3.676
181 HE2 HIS 27 HE2 HIS 27 -0.764 -11.711 -1.237
182 H LEU 28 H LEU 28 -4.059 -5.425 -0.127
183 HA LEU 28 HA LEU 28 -3.357 -3.011 -1.442
184 HB2 LEU 28 1HB LEU 28 -5.645 -3.558 -1.363
185 HB3 LEU 28 2HB LEU 28 -5.608 -3.798 0.382
186 HG LEU 28 HG LEU 28 -5.370 -1.391 0.716
187 HD11 LEU 28 1HD1 LEU 28 -6.057 -0.351 -1.800
188 HD12 LEU 28 2HD1 LEU 28 -4.697 -1.441 -2.066
189 HD13 LEU 28 3HD1 LEU 28 -4.554 -0.121 -0.906
190 HD21 LEU 28 3HD2 LEU 28 -7.655 -2.538 -0.791
191 HD22 LEU 28 1HD2 LEU 28 -7.617 -0.791 -0.556
192 HD23 LEU 28 2HD2 LEU 28 -7.592 -1.868 0.840
193 H ALA 29 H ALA 29 -3.902 -3.716 2.013
194 HA ALA 29 HA ALA 29 -3.259 -1.309 3.126
195 HB1 ALA 29 3HB ALA 29 -3.604 -2.508 4.958
196 HB2 ALA 29 1HB ALA 29 -3.451 -4.000 4.031
197 HB3 ALA 29 2HB ALA 29 -2.023 -3.262 4.758
198 H ARG 30 H ARG 30 -0.961 -3.887 2.265
199 HA ARG 30 HA ARG 30 1.344 -2.431 3.055
200 HB2 ARG 30 1HB ARG 30 2.612 -4.177 1.987
201 HB3 ARG 30 2HB ARG 30 1.251 -4.908 2.827
202 HG2 ARG 30 1HG ARG 30 0.085 -5.283 0.801
203 HG3 ARG 30 2HG ARG 30 1.211 -4.275 -0.110
204 HD2 ARG 30 1HD ARG 30 2.984 -5.989 0.749
205 HD3 ARG 30 2HD ARG 30 1.581 -7.031 0.982
206 HE ARG 30 HE ARG 30 1.334 -6.093 -1.574
207 HH11 ARG 30 1HH1 ARG 30 3.778 -7.819 0.207
208 HH12 ARG 30 2HH1 ARG 30 4.379 -8.662 -1.182
209 HH21 ARG 30 1HH2 ARG 30 2.117 -7.197 -3.410
210 HH22 ARG 30 2HH2 ARG 30 3.435 -8.307 -3.239
211 H HIS 31 H HIS 31 -0.478 -2.673 0.077
212 HA HIS 31 HA HIS 31 1.436 -1.514 -1.646
213 HB2 HIS 31 1HB HIS 31 -0.228 -2.534 -2.856
214 HB3 HIS 31 2HB HIS 31 -1.498 -2.018 -1.750
215 HD1 HIS 31 HD1 HIS 31 0.525 -0.816 -4.679
216 HD2 HIS 31 HD2 HIS 31 -2.734 0.378 -2.396
217 HE1 HIS 31 HE1 HIS 31 -0.489 1.124 -5.918
218 H ARG 32 H ARG 32 -1.298 -0.109 0.140
219 HA ARG 32 HA ARG 32 -1.358 2.451 -0.674
220 HB2 ARG 32 1HB ARG 32 -1.335 1.550 2.212
221 HB3 ARG 32 2HB ARG 32 -1.907 3.114 1.647
222 HG2 ARG 32 1HG ARG 32 -3.716 2.107 0.462
223 HG3 ARG 32 2HG ARG 32 -3.078 0.489 0.761
224 HD2 ARG 32 1HD ARG 32 -4.952 1.020 2.249
225 HD3 ARG 32 2HD ARG 32 -3.456 0.758 3.146
226 HE ARG 32 HE ARG 32 -3.471 3.424 2.834
227 HH11 ARG 32 1HH1 ARG 32 -5.902 1.186 3.931
228 HH12 ARG 32 2HH1 ARG 32 -6.664 2.329 4.987
229 HH21 ARG 32 1HH2 ARG 32 -4.466 4.938 4.221
230 HH22 ARG 32 2HH2 ARG 32 -5.847 4.463 5.150
231 H GLY 33 H GLY 33 1.288 0.921 0.964
232 HA2 GLY 33 1HA GLY 33 2.661 3.092 2.017
233 HA3 GLY 33 2HA GLY 33 3.426 1.637 1.395
234 H ILE 34 H ILE 34 2.778 1.807 -1.291
235 HA ILE 34 HA ILE 34 4.798 3.316 -2.360
236 HB ILE 34 HB ILE 34 3.760 3.081 -4.521
237 HG12 ILE 34 1HG1 ILE 34 1.250 1.953 -3.366
238 HG13 ILE 34 2HG1 ILE 34 1.428 3.703 -3.412
239 HG21 ILE 34 1HG2 ILE 34 2.761 0.547 -3.607
240 HG22 ILE 34 2HG2 ILE 34 4.229 0.911 -4.512
241 HG23 ILE 34 3HG2 ILE 34 4.243 0.970 -2.750
242 HD11 ILE 34 3HD1 ILE 34 1.578 1.839 -5.768
243 HD12 ILE 34 1HD1 ILE 34 0.236 2.907 -5.358
244 HD13 ILE 34 2HD1 ILE 34 1.793 3.589 -5.828
245 H HIS 35 H HIS 35 1.759 4.410 -1.199
246 HA HIS 35 HA HIS 35 1.868 6.928 -2.645
247 HB2 HIS 35 1HB HIS 35 -0.059 5.865 -0.571
248 HB3 HIS 35 2HB HIS 35 -0.204 7.449 -1.328
249 HD1 HIS 35 HD1 HIS 35 0.117 6.950 -4.221
250 HD2 HIS 35 HD2 HIS 35 -1.877 4.268 -1.753
251 HE1 HIS 35 HE1 HIS 35 -1.375 5.617 -5.744
252 H THR 36 H THR 36 2.222 5.748 0.674
253 HA THR 36 HA THR 36 3.209 8.403 1.468
254 HB THR 36 HB THR 36 1.350 7.610 2.831
255 HG1 THR 36 HG1 THR 36 3.471 8.605 3.732
256 HG21 THR 36 3HG2 THR 36 2.393 5.106 2.467
257 HG22 THR 36 1HG2 THR 36 1.143 5.522 3.639
258 HG23 THR 36 2HG2 THR 36 2.832 5.449 4.140
259 H GLY 37 H GLY 37 5.356 8.462 1.111
260 HA2 GLY 37 1HA GLY 37 6.995 6.492 2.531
261 HA3 GLY 37 2HA GLY 37 7.280 6.705 0.810
262 H GLU 38 H GLU 38 6.939 9.480 0.626
263 HA GLU 38 HA GLU 38 9.044 10.529 2.391
264 HB2 GLU 38 1HB GLU 38 8.904 10.642 -0.609
265 HB3 GLU 38 2HB GLU 38 9.789 11.858 0.301
266 HG2 GLU 38 1HG GLU 38 11.333 10.295 1.107
267 HG3 GLU 38 2HG GLU 38 10.313 8.929 0.658
268 H LYS 39 H LYS 39 9.154 12.951 2.320
269 HA LYS 39 HA LYS 39 6.522 14.014 2.729
270 HB2 LYS 39 1HB LYS 39 7.651 16.039 3.434
271 HB3 LYS 39 2HB LYS 39 8.451 14.644 4.146
272 HG2 LYS 39 1HG LYS 39 10.024 14.836 2.082
273 HG3 LYS 39 2HG LYS 39 9.406 16.487 2.005
274 HD2 LYS 39 1HD LYS 39 11.234 16.786 3.360
275 HD3 LYS 39 2HD LYS 39 9.987 16.477 4.570
276 HE2 LYS 39 1HE LYS 39 10.751 14.335 4.997
277 HE3 LYS 39 2HE LYS 39 11.559 14.202 3.436
278 HZ1 LYS 39 3HZ LYS 39 12.770 14.776 5.791
279 HZ2 LYS 39 1HZ LYS 39 12.613 16.305 5.084
280 HZ3 LYS 39 2HZ LYS 39 13.423 15.071 4.259
281 HA PRO 40 HA PRO 40 5.785 15.674 -1.281
282 HB2 PRO 40 1HB PRO 40 4.026 17.633 -0.620
283 HB3 PRO 40 2HB PRO 40 3.600 15.917 -0.614
284 HG2 PRO 40 1HG PRO 40 4.359 17.688 1.677
285 HG3 PRO 40 2HG PRO 40 3.071 16.474 1.581
286 HD2 PRO 40 1HD PRO 40 5.443 15.987 2.791
287 HD3 PRO 40 2HD PRO 40 4.521 14.722 1.954
288 H SER 41 H SER 41 7.377 17.345 1.183
289 HA SER 41 HA SER 41 7.606 19.939 0.603
290 HB2 SER 41 1HB SER 41 9.766 19.930 1.502
291 HB3 SER 41 2HB SER 41 9.065 18.452 2.161
292 HG SER 41 HG SER 41 10.743 18.640 -0.122
293 H GLY 42 H GLY 42 8.070 21.211 -1.076
294 HA2 GLY 42 1HA GLY 42 8.710 21.882 -3.175
295 HA3 GLY 42 2HA GLY 42 10.015 20.713 -3.031
296 HA PRO 43 HA PRO 43 6.450 19.382 -5.998
297 HB2 PRO 43 1HB PRO 43 7.195 20.573 -8.321
298 HB3 PRO 43 2HB PRO 43 6.071 21.317 -7.177
299 HG2 PRO 43 1HG PRO 43 8.999 21.816 -7.553
300 HG3 PRO 43 2HG PRO 43 7.688 22.983 -7.299
301 HD2 PRO 43 1HD PRO 43 9.346 22.199 -5.307
302 HD3 PRO 43 2HD PRO 43 7.649 22.634 -5.021
303 H SER 44 H SER 44 9.764 20.134 -7.098
304 HA SER 44 HA SER 44 10.076 17.293 -7.806
305 HB2 SER 44 1HB SER 44 10.999 19.699 -9.393
306 HB3 SER 44 2HB SER 44 11.503 18.042 -9.727
307 HG SER 44 HG SER 44 9.194 17.578 -9.925
308 H SER 45 H SER 45 12.407 16.658 -8.014
309 HA SER 45 HA SER 45 14.055 18.123 -6.057
310 HB2 SER 45 1HB SER 45 13.063 15.784 -5.425
311 HB3 SER 45 2HB SER 45 14.342 15.164 -6.469
312 HG SER 45 HG SER 45 15.105 15.299 -4.362
313 H GLY 46 H GLY 46 14.189 18.742 -8.745
314 HA2 GLY 46 1HA GLY 46 15.947 19.233 -10.185
315 HA3 GLY 46 2HA GLY 46 16.963 18.120 -9.280
Start of MODEL 9
1 H1 GLY 1 H GLY 1 -25.384 7.233 14.130
2 HA2 GLY 1 1HA GLY 1 -23.854 9.036 12.361
3 HA3 GLY 1 2HA GLY 1 -23.128 7.976 13.560
4 H SER 2 H SER 2 -22.327 8.021 10.883
5 HA SER 2 HA SER 2 -23.147 5.324 10.040
6 HB2 SER 2 1HB SER 2 -23.285 5.947 7.771
7 HB3 SER 2 2HB SER 2 -24.103 7.254 8.627
8 HG SER 2 HG SER 2 -21.773 7.288 7.170
9 H SER 3 H SER 3 -21.545 4.019 9.190
10 HA SER 3 HA SER 3 -18.844 4.771 9.909
11 HB2 SER 3 1HB SER 3 -19.946 2.471 10.294
12 HB3 SER 3 2HB SER 3 -19.639 2.186 8.581
13 HG SER 3 HG SER 3 -17.893 1.419 9.731
14 H GLY 4 H GLY 4 -18.508 6.436 8.336
15 HA2 GLY 4 1HA GLY 4 -18.506 5.689 5.528
16 HA3 GLY 4 2HA GLY 4 -18.116 7.270 6.189
17 H SER 5 H SER 5 -16.750 4.051 6.839
18 HA SER 5 HA SER 5 -14.085 5.177 6.395
19 HB2 SER 5 1HB SER 5 -15.092 2.730 7.830
20 HB3 SER 5 2HB SER 5 -13.390 2.894 7.397
21 HG SER 5 HG SER 5 -14.011 3.684 9.538
22 H SER 6 H SER 6 -15.977 2.288 5.526
23 HA SER 6 HA SER 6 -14.093 1.668 3.393
24 HB2 SER 6 1HB SER 6 -16.521 0.214 4.455
25 HB3 SER 6 2HB SER 6 -15.575 -0.351 3.077
26 HG SER 6 HG SER 6 -14.705 -1.356 4.814
27 H GLY 7 H GLY 7 -14.405 2.139 1.309
28 HA2 GLY 7 1HA GLY 7 -17.101 3.035 0.494
29 HA3 GLY 7 2HA GLY 7 -15.636 3.843 -0.044
30 H THR 8 H THR 8 -16.930 0.520 0.053
31 HA THR 8 HA THR 8 -16.842 0.250 -2.783
32 HB THR 8 HB THR 8 -14.437 0.041 -2.368
33 HG1 THR 8 HG1 THR 8 -15.250 -2.600 -2.873
34 HG21 THR 8 3HG2 THR 8 -14.136 -0.726 -0.206
35 HG22 THR 8 1HG2 THR 8 -13.784 -2.174 -1.149
36 HG23 THR 8 2HG2 THR 8 -15.356 -1.988 -0.372
37 H GLY 9 H GLY 9 -17.718 -1.745 -3.519
38 HA2 GLY 9 1HA GLY 9 -18.745 -3.536 -1.425
39 HA3 GLY 9 2HA GLY 9 -19.872 -2.816 -2.565
40 H LYS 10 H LYS 10 -18.809 -3.039 -4.957
41 HA LYS 10 HA LYS 10 -19.129 -5.729 -5.643
42 HB2 LYS 10 1HB LYS 10 -18.001 -3.358 -7.107
43 HB3 LYS 10 2HB LYS 10 -18.012 -4.954 -7.847
44 HG2 LYS 10 1HG LYS 10 -20.543 -4.914 -7.206
45 HG3 LYS 10 2HG LYS 10 -20.294 -3.167 -7.157
46 HD2 LYS 10 1HD LYS 10 -19.263 -3.407 -9.471
47 HD3 LYS 10 2HD LYS 10 -19.930 -5.042 -9.482
48 HE2 LYS 10 1HE LYS 10 -22.134 -4.267 -9.435
49 HE3 LYS 10 2HE LYS 10 -21.655 -2.664 -8.880
50 HZ1 LYS 10 3HZ LYS 10 -20.403 -2.684 -11.180
51 HZ2 LYS 10 1HZ LYS 10 -22.026 -2.222 -11.060
52 HZ3 LYS 10 2HZ LYS 10 -21.627 -3.781 -11.580
53 H LYS 11 H LYS 11 -16.124 -3.806 -5.791
54 HA LYS 11 HA LYS 11 -14.493 -6.140 -6.092
55 HB2 LYS 11 1HB LYS 11 -13.950 -3.212 -5.726
56 HB3 LYS 11 2HB LYS 11 -12.638 -4.376 -5.595
57 HG2 LYS 11 1HG LYS 11 -12.598 -3.612 -7.814
58 HG3 LYS 11 2HG LYS 11 -13.332 -5.216 -7.878
59 HD2 LYS 11 1HD LYS 11 -15.573 -4.085 -7.829
60 HD3 LYS 11 2HD LYS 11 -14.728 -2.547 -8.019
61 HE2 LYS 11 1HE LYS 11 -15.471 -3.290 -10.177
62 HE3 LYS 11 2HE LYS 11 -13.715 -3.425 -10.108
63 HZ1 LYS 11 3HZ LYS 11 -14.530 -5.394 -11.098
64 HZ2 LYS 11 1HZ LYS 11 -15.701 -5.615 -9.897
65 HZ3 LYS 11 2HZ LYS 11 -14.063 -5.816 -9.528
66 HA PRO 12 HA PRO 12 -13.717 -7.216 -1.908
67 HB2 PRO 12 1HB PRO 12 -11.135 -8.043 -2.039
68 HB3 PRO 12 2HB PRO 12 -12.477 -8.976 -2.712
69 HG2 PRO 12 1HG PRO 12 -10.552 -7.154 -4.103
70 HG3 PRO 12 2HG PRO 12 -11.155 -8.743 -4.610
71 HD2 PRO 12 1HD PRO 12 -12.139 -6.425 -5.607
72 HD3 PRO 12 2HD PRO 12 -13.140 -7.877 -5.400
73 H TYR 13 H TYR 13 -10.973 -5.430 -3.329
74 HA TYR 13 HA TYR 13 -11.077 -3.476 -1.209
75 HB2 TYR 13 1HB TYR 13 -8.518 -5.043 -1.522
76 HB3 TYR 13 2HB TYR 13 -8.913 -3.853 -0.287
77 HD1 TYR 13 HD1 TYR 13 -10.454 -4.430 1.545
78 HD2 TYR 13 HD2 TYR 13 -9.240 -7.324 -1.328
79 HE1 TYR 13 HE1 TYR 13 -11.241 -6.226 3.030
80 HE2 TYR 13 HE2 TYR 13 -10.025 -9.128 0.149
81 HH TYR 13 HH TYR 13 -10.867 -8.595 3.413
82 H LYS 14 H LYS 14 -10.914 -1.640 -2.296
83 HA LYS 14 HA LYS 14 -9.009 -1.493 -4.540
84 HB2 LYS 14 1HB LYS 14 -11.285 -1.249 -5.330
85 HB3 LYS 14 2HB LYS 14 -11.611 -0.014 -4.121
86 HG2 LYS 14 1HG LYS 14 -9.805 1.363 -5.230
87 HG3 LYS 14 2HG LYS 14 -9.845 0.183 -6.542
88 HD2 LYS 14 1HD LYS 14 -12.201 0.651 -6.918
89 HD3 LYS 14 2HD LYS 14 -12.212 1.779 -5.561
90 HE2 LYS 14 1HE LYS 14 -10.237 2.205 -7.746
91 HE3 LYS 14 2HE LYS 14 -11.925 2.608 -8.053
92 HZ1 LYS 14 3HZ LYS 14 -11.457 4.540 -7.086
93 HZ2 LYS 14 1HZ LYS 14 -9.986 3.986 -6.461
94 HZ3 LYS 14 2HZ LYS 14 -11.423 3.706 -5.615
95 H CYS 15 H CYS 15 -7.713 0.338 -4.741
96 HA CYS 15 HA CYS 15 -7.110 1.660 -2.248
97 HB2 CYS 15 1HB CYS 15 -5.376 0.835 -3.899
98 HB3 CYS 15 2HB CYS 15 -5.851 2.169 -4.945
99 H ASN 16 H ASN 16 -7.847 3.575 -1.618
100 HA ASN 16 HA ASN 16 -9.549 5.112 -3.371
101 HB2 ASN 16 1HB ASN 16 -8.785 5.298 -0.470
102 HB3 ASN 16 2HB ASN 16 -9.627 6.628 -1.260
103 HD21 ASN 16 1HD2 ASN 16 -9.864 3.436 -0.005
104 HD22 ASN 16 2HD2 ASN 16 -11.570 3.251 -0.205
105 H GLU 17 H GLU 17 -6.332 4.923 -3.176
106 HA GLU 17 HA GLU 17 -5.808 7.796 -3.339
107 HB2 GLU 17 1HB GLU 17 -3.822 5.522 -3.421
108 HB3 GLU 17 2HB GLU 17 -3.465 7.229 -3.201
109 HG2 GLU 17 1HG GLU 17 -5.053 6.937 -1.118
110 HG3 GLU 17 2HG GLU 17 -4.557 5.253 -1.276
111 H CYS 18 H CYS 18 -5.181 4.832 -5.210
112 HA CYS 18 HA CYS 18 -4.975 6.510 -7.625
113 HB2 CYS 18 1HB CYS 18 -3.637 4.632 -8.590
114 HB3 CYS 18 2HB CYS 18 -2.873 5.410 -7.208
115 H GLY 19 H GLY 19 -6.051 3.334 -6.434
116 HA2 GLY 19 1HA GLY 19 -8.458 2.876 -7.032
117 HA3 GLY 19 2HA GLY 19 -7.973 3.259 -8.677
118 H LYS 20 H LYS 20 -5.609 1.618 -6.858
119 HA LYS 20 HA LYS 20 -5.743 -0.667 -8.570
120 HB2 LYS 20 1HB LYS 20 -3.704 0.471 -7.312
121 HB3 LYS 20 2HB LYS 20 -4.127 -0.691 -6.061
122 HG2 LYS 20 1HG LYS 20 -3.663 -2.521 -7.444
123 HG3 LYS 20 2HG LYS 20 -3.680 -1.531 -8.905
124 HD2 LYS 20 1HD LYS 20 -1.682 -0.985 -6.746
125 HD3 LYS 20 2HD LYS 20 -1.408 -2.300 -7.891
126 HE2 LYS 20 1HE LYS 20 -1.677 -0.688 -9.745
127 HE3 LYS 20 2HE LYS 20 -1.848 0.608 -8.563
128 HZ1 LYS 20 3HZ LYS 20 0.543 -1.060 -9.088
129 HZ2 LYS 20 1HZ LYS 20 0.396 -0.078 -7.719
130 HZ3 LYS 20 2HZ LYS 20 0.388 0.615 -9.261
131 H VAL 21 H VAL 21 -6.438 -2.717 -8.145
132 HA VAL 21 HA VAL 21 -7.901 -3.095 -5.614
133 HB VAL 21 HB VAL 21 -8.444 -4.444 -8.262
134 HG11 VAL 21 1HG1 VAL 21 -9.211 -5.921 -6.649
135 HG12 VAL 21 2HG1 VAL 21 -9.685 -4.629 -5.545
136 HG13 VAL 21 3HG1 VAL 21 -10.642 -4.950 -6.991
137 HG21 VAL 21 3HG2 VAL 21 -9.222 -2.341 -8.705
138 HG22 VAL 21 1HG2 VAL 21 -10.636 -3.013 -7.892
139 HG23 VAL 21 2HG2 VAL 21 -9.520 -1.972 -7.006
140 H PHE 22 H PHE 22 -7.628 -4.969 -4.461
141 HA PHE 22 HA PHE 22 -5.750 -6.963 -5.515
142 HB2 PHE 22 1HB PHE 22 -5.585 -5.983 -2.669
143 HB3 PHE 22 2HB PHE 22 -4.427 -6.978 -3.547
144 HD1 PHE 22 HD2 PHE 22 -5.984 -3.596 -3.636
145 HD2 PHE 22 HD1 PHE 22 -2.562 -5.987 -4.467
146 HE1 PHE 22 HE2 PHE 22 -4.726 -1.574 -4.257
147 HE2 PHE 22 HE1 PHE 22 -1.298 -3.970 -5.088
148 HZ PHE 22 HZ PHE 22 -2.380 -1.760 -4.985
149 H THR 23 H THR 23 -6.433 -8.986 -5.239
150 HA THR 23 HA THR 23 -8.927 -9.706 -4.383
151 HB THR 23 HB THR 23 -8.078 -12.017 -4.128
152 HG1 THR 23 HG1 THR 23 -5.645 -10.642 -4.052
153 HG21 THR 23 3HG2 THR 23 -8.359 -12.004 -6.341
154 HG22 THR 23 1HG2 THR 23 -6.638 -11.650 -6.495
155 HG23 THR 23 2HG2 THR 23 -7.810 -10.332 -6.457
156 H GLN 24 H GLN 24 -5.966 -9.562 -2.450
157 HA GLN 24 HA GLN 24 -7.576 -10.082 -0.042
158 HB2 GLN 24 1HB GLN 24 -4.600 -10.355 -0.492
159 HB3 GLN 24 2HB GLN 24 -5.401 -10.601 1.054
160 HG2 GLN 24 1HG GLN 24 -6.805 -12.356 -0.181
161 HG3 GLN 24 2HG GLN 24 -5.568 -12.258 -1.432
162 HE21 GLN 24 1HE2 GLN 24 -6.262 -13.168 1.854
163 HE22 GLN 24 2HE2 GLN 24 -4.840 -14.116 2.104
164 H ASN 25 H ASN 25 -7.307 -8.762 1.796
165 HA ASN 25 HA ASN 25 -7.018 -6.006 1.243
166 HB2 ASN 25 1HB ASN 25 -7.215 -5.737 3.724
167 HB3 ASN 25 2HB ASN 25 -8.494 -6.716 3.011
168 HD21 ASN 25 1HD2 ASN 25 -7.267 -6.577 5.741
169 HD22 ASN 25 2HD2 ASN 25 -6.856 -8.213 6.115
170 H SER 26 H SER 26 -4.957 -8.306 2.999
171 HA SER 26 HA SER 26 -2.979 -6.652 3.914
172 HB2 SER 26 1HB SER 26 -3.153 -9.161 4.225
173 HB3 SER 26 2HB SER 26 -2.409 -9.331 2.635
174 HG SER 26 HG SER 26 -0.551 -8.482 3.398
175 H HIS 27 H HIS 27 -3.375 -7.922 0.643
176 HA HIS 27 HA HIS 27 -0.936 -7.001 -0.412
177 HB2 HIS 27 1HB HIS 27 -3.595 -7.606 -1.703
178 HB3 HIS 27 2HB HIS 27 -2.176 -7.130 -2.631
179 HD2 HIS 27 HD2 HIS 27 -2.487 -9.886 0.207
180 HE1 HIS 27 HE1 HIS 27 -0.712 -11.573 -3.257
181 HE2 HIS 27 HE2 HIS 27 -1.513 -12.006 -0.909
182 H LEU 28 H LEU 28 -4.047 -5.443 0.043
183 HA LEU 28 HA LEU 28 -3.352 -3.105 -1.478
184 HB2 LEU 28 1HB LEU 28 -5.638 -3.553 -1.426
185 HB3 LEU 28 2HB LEU 28 -5.631 -3.869 0.308
186 HG LEU 28 HG LEU 28 -5.269 -1.438 0.691
187 HD11 LEU 28 1HD1 LEU 28 -5.368 -1.432 -2.288
188 HD12 LEU 28 2HD1 LEU 28 -4.317 -0.535 -1.193
189 HD13 LEU 28 3HD1 LEU 28 -5.999 -0.048 -1.396
190 HD21 LEU 28 3HD2 LEU 28 -7.523 -2.584 0.653
191 HD22 LEU 28 1HD2 LEU 28 -7.724 -1.935 -0.974
192 HD23 LEU 28 2HD2 LEU 28 -7.535 -0.839 0.395
193 H ALA 29 H ALA 29 -3.841 -3.757 1.992
194 HA ALA 29 HA ALA 29 -3.222 -1.313 3.054
195 HB1 ALA 29 3HB ALA 29 -3.793 -2.691 4.742
196 HB2 ALA 29 1HB ALA 29 -3.019 -4.093 4.003
197 HB3 ALA 29 2HB ALA 29 -2.049 -2.912 4.884
198 H ARG 30 H ARG 30 -0.915 -3.881 2.193
199 HA ARG 30 HA ARG 30 1.393 -2.423 2.949
200 HB2 ARG 30 1HB ARG 30 2.651 -4.151 1.857
201 HB3 ARG 30 2HB ARG 30 1.288 -4.904 2.674
202 HG2 ARG 30 1HG ARG 30 0.081 -4.941 0.504
203 HG3 ARG 30 2HG ARG 30 1.547 -4.337 -0.270
204 HD2 ARG 30 1HD ARG 30 1.370 -6.889 1.328
205 HD3 ARG 30 2HD ARG 30 1.281 -6.799 -0.431
206 HE ARG 30 HE ARG 30 3.616 -5.525 0.248
207 HH11 ARG 30 1HH1 ARG 30 2.256 -8.694 0.722
208 HH12 ARG 30 2HH1 ARG 30 3.793 -9.494 0.739
209 HH21 ARG 30 1HH2 ARG 30 5.646 -6.566 0.269
210 HH22 ARG 30 2HH2 ARG 30 5.720 -8.282 0.482
211 H HIS 31 H HIS 31 -0.428 -2.693 -0.042
212 HA HIS 31 HA HIS 31 1.448 -1.466 -1.751
213 HB2 HIS 31 1HB HIS 31 -0.189 -2.485 -2.986
214 HB3 HIS 31 2HB HIS 31 -1.464 -2.056 -1.850
215 HD1 HIS 31 HD1 HIS 31 0.532 -0.609 -4.702
216 HD2 HIS 31 HD2 HIS 31 -2.866 0.235 -2.465
217 HE1 HIS 31 HE1 HIS 31 -0.591 1.308 -5.881
218 H ARG 32 H ARG 32 -1.391 -0.111 -0.076
219 HA ARG 32 HA ARG 32 -1.403 2.461 -0.851
220 HB2 ARG 32 1HB ARG 32 -1.602 1.481 2.002
221 HB3 ARG 32 2HB ARG 32 -2.088 3.083 1.463
222 HG2 ARG 32 1HG ARG 32 -3.787 2.118 0.031
223 HG3 ARG 32 2HG ARG 32 -3.268 0.493 0.482
224 HD2 ARG 32 1HD ARG 32 -5.179 0.976 1.793
225 HD3 ARG 32 2HD ARG 32 -3.788 1.114 2.867
226 HE ARG 32 HE ARG 32 -5.542 3.244 1.999
227 HH11 ARG 32 1HH1 ARG 32 -2.490 2.382 3.434
228 HH12 ARG 32 2HH1 ARG 32 -2.273 3.916 4.209
229 HH21 ARG 32 1HH2 ARG 32 -5.268 5.268 3.014
230 HH22 ARG 32 2HH2 ARG 32 -3.854 5.557 3.971
231 H GLY 33 H GLY 33 1.125 0.915 0.952
232 HA2 GLY 33 1HA GLY 33 2.407 3.093 2.117
233 HA3 GLY 33 2HA GLY 33 3.216 1.633 1.566
234 H ILE 34 H ILE 34 2.797 1.784 -1.161
235 HA ILE 34 HA ILE 34 4.896 3.279 -2.078
236 HB ILE 34 HB ILE 34 4.035 3.038 -4.310
237 HG12 ILE 34 1HG1 ILE 34 1.420 1.956 -3.367
238 HG13 ILE 34 2HG1 ILE 34 1.629 3.703 -3.394
239 HG21 ILE 34 1HG2 ILE 34 2.979 0.525 -3.745
240 HG22 ILE 34 2HG2 ILE 34 4.667 0.921 -4.064
241 HG23 ILE 34 3HG2 ILE 34 4.071 0.871 -2.405
242 HD11 ILE 34 3HD1 ILE 34 1.327 1.798 -5.602
243 HD12 ILE 34 1HD1 ILE 34 0.866 3.496 -5.489
244 HD13 ILE 34 2HD1 ILE 34 2.536 3.058 -5.850
245 H HIS 35 H HIS 35 1.756 4.389 -1.204
246 HA HIS 35 HA HIS 35 1.959 6.885 -2.650
247 HB2 HIS 35 1HB HIS 35 -0.035 5.849 -0.632
248 HB3 HIS 35 2HB HIS 35 -0.141 7.446 -1.366
249 HD1 HIS 35 HD1 HIS 35 0.091 7.130 -4.223
250 HD2 HIS 35 HD2 HIS 35 -1.670 4.150 -1.926
251 HE1 HIS 35 HE1 HIS 35 -1.329 5.803 -5.818
252 H THR 36 H THR 36 1.882 5.934 0.784
253 HA THR 36 HA THR 36 3.293 8.446 1.411
254 HB THR 36 HB THR 36 1.278 8.671 2.547
255 HG1 THR 36 HG1 THR 36 1.939 7.729 4.817
256 HG21 THR 36 3HG2 THR 36 0.338 6.731 3.927
257 HG22 THR 36 1HG2 THR 36 1.445 5.705 3.015
258 HG23 THR 36 2HG2 THR 36 0.193 6.618 2.173
259 H GLY 37 H GLY 37 5.179 8.345 2.508
260 HA2 GLY 37 1HA GLY 37 5.992 6.326 4.258
261 HA3 GLY 37 2HA GLY 37 6.582 5.899 2.659
262 H GLU 38 H GLU 38 7.476 7.302 5.450
263 HA GLU 38 HA GLU 38 9.480 8.982 4.098
264 HB2 GLU 38 1HB GLU 38 8.127 9.570 6.738
265 HB3 GLU 38 2HB GLU 38 9.425 10.517 6.024
266 HG2 GLU 38 1HG GLU 38 6.865 10.068 4.546
267 HG3 GLU 38 2HG GLU 38 7.001 11.332 5.767
268 H LYS 39 H LYS 39 11.532 8.535 4.590
269 HA LYS 39 HA LYS 39 12.037 6.688 6.826
270 HB2 LYS 39 1HB LYS 39 12.604 6.172 4.289
271 HB3 LYS 39 2HB LYS 39 14.039 7.120 4.654
272 HG2 LYS 39 1HG LYS 39 13.199 4.795 6.353
273 HG3 LYS 39 2HG LYS 39 14.203 4.598 4.915
274 HD2 LYS 39 1HD LYS 39 14.955 6.582 7.028
275 HD3 LYS 39 2HD LYS 39 15.340 4.871 7.231
276 HE2 LYS 39 1HE LYS 39 16.773 4.850 5.401
277 HE3 LYS 39 2HE LYS 39 16.058 6.302 4.701
278 HZ1 LYS 39 3HZ LYS 39 16.999 7.208 7.051
279 HZ2 LYS 39 1HZ LYS 39 17.831 7.310 5.581
280 HZ3 LYS 39 2HZ LYS 39 18.165 6.047 6.655
281 HA PRO 40 HA PRO 40 13.952 10.668 8.148
282 HB2 PRO 40 1HB PRO 40 13.343 10.334 10.773
283 HB3 PRO 40 2HB PRO 40 12.217 11.041 9.608
284 HG2 PRO 40 1HG PRO 40 12.337 8.245 10.670
285 HG3 PRO 40 2HG PRO 40 10.923 9.282 10.407
286 HD2 PRO 40 1HD PRO 40 11.638 7.327 8.676
287 HD3 PRO 40 2HD PRO 40 10.854 8.830 8.148
288 H SER 41 H SER 41 16.089 10.630 8.385
289 HA SER 41 HA SER 41 17.580 8.360 9.065
290 HB2 SER 41 1HB SER 41 18.189 11.262 8.729
291 HB3 SER 41 2HB SER 41 19.400 10.247 9.512
292 HG SER 41 HG SER 41 19.917 9.594 7.596
293 H GLY 42 H GLY 42 18.782 7.829 10.919
294 HA2 GLY 42 1HA GLY 42 18.860 9.296 13.301
295 HA3 GLY 42 2HA GLY 42 17.457 8.240 13.374
296 HA PRO 43 HA PRO 43 21.596 6.061 14.422
297 HB2 PRO 43 1HB PRO 43 21.549 6.252 17.130
298 HB3 PRO 43 2HB PRO 43 22.350 7.441 16.097
299 HG2 PRO 43 1HG PRO 43 19.652 7.566 17.388
300 HG3 PRO 43 2HG PRO 43 20.889 8.830 17.255
301 HD2 PRO 43 1HD PRO 43 18.728 8.729 15.626
302 HD3 PRO 43 2HD PRO 43 20.301 9.354 15.089
303 H SER 44 H SER 44 18.303 5.925 15.093
304 HA SER 44 HA SER 44 18.069 3.721 16.795
305 HB2 SER 44 1HB SER 44 16.252 4.665 14.567
306 HB3 SER 44 2HB SER 44 15.813 3.423 15.740
307 HG SER 44 HG SER 44 15.569 4.905 17.236
308 H SER 45 H SER 45 18.580 1.655 16.551
309 HA SER 45 HA SER 45 18.947 0.615 13.817
310 HB2 SER 45 1HB SER 45 20.945 0.825 15.533
311 HB3 SER 45 2HB SER 45 20.268 -0.672 16.174
312 HG SER 45 HG SER 45 21.239 -1.635 14.594
313 H GLY 46 H GLY 46 18.721 -1.832 13.714
314 HA2 GLY 46 1HA GLY 46 17.506 -3.545 15.362
315 HA3 GLY 46 2HA GLY 46 16.157 -2.514 14.907
Start of MODEL 10
1 H1 GLY 1 H GLY 1 -32.453 15.762 -13.325
2 HA2 GLY 1 1HA GLY 1 -33.247 15.639 -16.164
3 HA3 GLY 1 2HA GLY 1 -31.868 16.606 -15.661
4 H SER 2 H SER 2 -29.983 15.665 -16.010
5 HA SER 2 HA SER 2 -29.475 13.205 -16.997
6 HB2 SER 2 1HB SER 2 -27.697 14.811 -16.828
7 HB3 SER 2 2HB SER 2 -27.776 14.796 -15.066
8 HG SER 2 HG SER 2 -26.122 13.462 -15.544
9 H SER 3 H SER 3 -29.966 11.229 -16.345
10 HA SER 3 HA SER 3 -29.803 10.609 -13.470
11 HB2 SER 3 1HB SER 3 -31.990 10.042 -15.426
12 HB3 SER 3 2HB SER 3 -31.673 8.861 -14.155
13 HG SER 3 HG SER 3 -33.235 10.635 -13.708
14 H GLY 4 H GLY 4 -29.464 8.300 -13.001
15 HA2 GLY 4 1HA GLY 4 -28.932 6.108 -14.136
16 HA3 GLY 4 2HA GLY 4 -27.816 7.053 -15.111
17 H SER 5 H SER 5 -28.552 6.696 -11.637
18 HA SER 5 HA SER 5 -25.672 6.275 -11.183
19 HB2 SER 5 1HB SER 5 -27.582 7.926 -9.514
20 HB3 SER 5 2HB SER 5 -25.947 7.493 -9.014
21 HG SER 5 HG SER 5 -26.053 8.595 -11.514
22 H SER 6 H SER 6 -26.053 4.018 -11.173
23 HA SER 6 HA SER 6 -27.353 3.067 -8.708
24 HB2 SER 6 1HB SER 6 -28.575 2.596 -10.955
25 HB3 SER 6 2HB SER 6 -27.304 1.400 -11.210
26 HG SER 6 HG SER 6 -29.020 1.519 -8.951
27 H GLY 7 H GLY 7 -25.780 2.391 -7.406
28 HA2 GLY 7 1HA GLY 7 -24.319 0.373 -7.116
29 HA3 GLY 7 2HA GLY 7 -23.540 0.882 -8.607
30 H THR 8 H THR 8 -22.916 0.668 -5.515
31 HA THR 8 HA THR 8 -21.609 3.298 -5.299
32 HB THR 8 HB THR 8 -21.432 2.818 -2.863
33 HG1 THR 8 HG1 THR 8 -22.522 1.046 -2.026
34 HG21 THR 8 3HG2 THR 8 -24.087 2.770 -2.581
35 HG22 THR 8 1HG2 THR 8 -24.006 3.104 -4.310
36 HG23 THR 8 2HG2 THR 8 -23.224 4.193 -3.164
37 H GLY 9 H GLY 9 -21.092 -0.144 -4.514
38 HA2 GLY 9 1HA GLY 9 -18.529 -0.261 -5.662
39 HA3 GLY 9 2HA GLY 9 -18.352 0.064 -3.944
40 H LYS 10 H LYS 10 -18.317 -2.333 -6.142
41 HA LYS 10 HA LYS 10 -19.265 -4.328 -4.191
42 HB2 LYS 10 1HB LYS 10 -19.827 -5.794 -6.065
43 HB3 LYS 10 2HB LYS 10 -20.697 -4.270 -6.181
44 HG2 LYS 10 1HG LYS 10 -18.753 -3.551 -7.726
45 HG3 LYS 10 2HG LYS 10 -18.433 -5.283 -7.848
46 HD2 LYS 10 1HD LYS 10 -20.482 -5.713 -8.871
47 HD3 LYS 10 2HD LYS 10 -21.189 -4.197 -8.308
48 HE2 LYS 10 1HE LYS 10 -19.529 -3.011 -9.790
49 HE3 LYS 10 2HE LYS 10 -19.128 -4.587 -10.470
50 HZ1 LYS 10 3HZ LYS 10 -21.870 -4.432 -10.561
51 HZ2 LYS 10 1HZ LYS 10 -20.805 -4.271 -11.865
52 HZ3 LYS 10 2HZ LYS 10 -21.343 -2.898 -11.038
53 H LYS 11 H LYS 11 -16.694 -3.361 -4.029
54 HA LYS 11 HA LYS 11 -15.108 -5.629 -5.043
55 HB2 LYS 11 1HB LYS 11 -14.189 -2.784 -4.592
56 HB3 LYS 11 2HB LYS 11 -13.156 -4.118 -5.087
57 HG2 LYS 11 1HG LYS 11 -14.026 -4.184 -7.214
58 HG3 LYS 11 2HG LYS 11 -15.549 -3.436 -6.729
59 HD2 LYS 11 1HD LYS 11 -14.621 -1.297 -6.680
60 HD3 LYS 11 2HD LYS 11 -12.970 -1.914 -6.576
61 HE2 LYS 11 1HE LYS 11 -13.060 -1.233 -8.772
62 HE3 LYS 11 2HE LYS 11 -13.513 -2.930 -8.920
63 HZ1 LYS 11 3HZ LYS 11 -14.911 -1.012 -10.035
64 HZ2 LYS 11 1HZ LYS 11 -15.661 -0.991 -8.518
65 HZ3 LYS 11 2HZ LYS 11 -15.645 -2.412 -9.435
66 HA PRO 12 HA PRO 12 -14.069 -6.578 -0.882
67 HB2 PRO 12 1HB PRO 12 -11.610 -7.677 -1.223
68 HB3 PRO 12 2HB PRO 12 -13.103 -8.496 -1.698
69 HG2 PRO 12 1HG PRO 12 -11.166 -6.959 -3.385
70 HG3 PRO 12 2HG PRO 12 -11.974 -8.500 -3.731
71 HD2 PRO 12 1HD PRO 12 -12.824 -6.145 -4.763
72 HD3 PRO 12 2HD PRO 12 -13.936 -7.472 -4.368
73 H TYR 13 H TYR 13 -11.310 -5.185 -2.669
74 HA TYR 13 HA TYR 13 -11.001 -3.114 -0.684
75 HB2 TYR 13 1HB TYR 13 -8.636 -4.925 -1.133
76 HB3 TYR 13 2HB TYR 13 -8.839 -3.680 0.094
77 HD1 TYR 13 HD1 TYR 13 -10.567 -4.072 1.922
78 HD2 TYR 13 HD2 TYR 13 -9.224 -7.153 -0.687
79 HE1 TYR 13 HE1 TYR 13 -11.375 -5.764 3.514
80 HE2 TYR 13 HE2 TYR 13 -10.029 -8.853 0.897
81 HH TYR 13 HH TYR 13 -12.153 -8.281 3.287
82 H LYS 14 H LYS 14 -10.906 -1.424 -2.011
83 HA LYS 14 HA LYS 14 -9.076 -1.563 -4.318
84 HB2 LYS 14 1HB LYS 14 -11.285 -1.360 -5.176
85 HB3 LYS 14 2HB LYS 14 -11.707 -0.128 -3.995
86 HG2 LYS 14 1HG LYS 14 -10.240 1.461 -5.068
87 HG3 LYS 14 2HG LYS 14 -9.692 0.226 -6.205
88 HD2 LYS 14 1HD LYS 14 -12.110 0.005 -6.922
89 HD3 LYS 14 2HD LYS 14 -12.427 1.466 -5.984
90 HE2 LYS 14 1HE LYS 14 -10.337 1.315 -8.145
91 HE3 LYS 14 2HE LYS 14 -12.003 1.801 -8.452
92 HZ1 LYS 14 3HZ LYS 14 -11.759 3.697 -7.121
93 HZ2 LYS 14 1HZ LYS 14 -10.340 3.637 -8.040
94 HZ3 LYS 14 2HZ LYS 14 -10.321 3.145 -6.422
95 H CYS 15 H CYS 15 -7.720 0.171 -4.715
96 HA CYS 15 HA CYS 15 -7.104 1.798 -2.408
97 HB2 CYS 15 1HB CYS 15 -5.445 0.661 -4.062
98 HB3 CYS 15 2HB CYS 15 -5.754 2.066 -5.077
99 H ASN 16 H ASN 16 -8.188 3.612 -2.040
100 HA ASN 16 HA ASN 16 -9.615 5.008 -4.085
101 HB2 ASN 16 1HB ASN 16 -9.133 5.442 -1.158
102 HB3 ASN 16 2HB ASN 16 -9.820 6.741 -2.128
103 HD21 ASN 16 1HD2 ASN 16 -10.399 3.812 -0.511
104 HD22 ASN 16 2HD2 ASN 16 -12.063 3.631 -0.939
105 H GLU 17 H GLU 17 -6.414 4.881 -3.488
106 HA GLU 17 HA GLU 17 -5.853 7.712 -3.889
107 HB2 GLU 17 1HB GLU 17 -4.222 5.305 -3.203
108 HB3 GLU 17 2HB GLU 17 -3.419 6.685 -3.940
109 HG2 GLU 17 1HG GLU 17 -4.949 6.634 -1.353
110 HG3 GLU 17 2HG GLU 17 -3.215 6.862 -1.571
111 H CYS 18 H CYS 18 -5.172 4.620 -5.516
112 HA CYS 18 HA CYS 18 -4.721 6.127 -8.007
113 HB2 CYS 18 1HB CYS 18 -3.445 4.132 -8.770
114 HB3 CYS 18 2HB CYS 18 -2.743 4.899 -7.350
115 H GLY 19 H GLY 19 -6.313 3.321 -6.577
116 HA2 GLY 19 1HA GLY 19 -8.564 2.782 -7.280
117 HA3 GLY 19 2HA GLY 19 -8.123 3.284 -8.905
118 H LYS 20 H LYS 20 -6.474 1.121 -6.618
119 HA LYS 20 HA LYS 20 -6.655 -0.999 -8.658
120 HB2 LYS 20 1HB LYS 20 -4.423 -0.098 -6.909
121 HB3 LYS 20 2HB LYS 20 -4.556 -1.824 -7.223
122 HG2 LYS 20 1HG LYS 20 -4.132 -1.583 -9.477
123 HG3 LYS 20 2HG LYS 20 -4.632 0.110 -9.496
124 HD2 LYS 20 1HD LYS 20 -2.633 0.693 -8.183
125 HD3 LYS 20 2HD LYS 20 -2.129 -0.998 -8.224
126 HE2 LYS 20 1HE LYS 20 -0.921 -0.149 -9.980
127 HE3 LYS 20 2HE LYS 20 -2.378 -0.685 -10.815
128 HZ1 LYS 20 3HZ LYS 20 -1.409 2.012 -10.322
129 HZ2 LYS 20 1HZ LYS 20 -3.081 1.789 -10.186
130 HZ3 LYS 20 2HZ LYS 20 -2.290 1.399 -11.629
131 H VAL 21 H VAL 21 -7.529 -2.899 -8.088
132 HA VAL 21 HA VAL 21 -8.446 -3.193 -5.321
133 HB VAL 21 HB VAL 21 -9.270 -4.722 -7.793
134 HG11 VAL 21 1HG1 VAL 21 -11.249 -5.100 -5.984
135 HG12 VAL 21 2HG1 VAL 21 -9.917 -6.228 -6.250
136 HG13 VAL 21 3HG1 VAL 21 -9.836 -5.062 -4.929
137 HG21 VAL 21 3HG2 VAL 21 -9.916 -2.133 -7.111
138 HG22 VAL 21 1HG2 VAL 21 -10.843 -3.184 -8.181
139 HG23 VAL 21 2HG2 VAL 21 -11.270 -3.067 -6.474
140 H PHE 22 H PHE 22 -8.043 -5.027 -4.100
141 HA PHE 22 HA PHE 22 -6.149 -6.980 -5.204
142 HB2 PHE 22 1HB PHE 22 -5.864 -5.733 -2.464
143 HB3 PHE 22 2HB PHE 22 -4.774 -6.893 -3.216
144 HD1 PHE 22 HD2 PHE 22 -6.146 -3.465 -3.623
145 HD2 PHE 22 HD1 PHE 22 -2.956 -6.158 -4.454
146 HE1 PHE 22 HE2 PHE 22 -4.830 -1.611 -4.563
147 HE2 PHE 22 HE1 PHE 22 -1.635 -4.308 -5.394
148 HZ PHE 22 HZ PHE 22 -2.572 -2.031 -5.451
149 H THR 23 H THR 23 -7.070 -8.906 -5.063
150 HA THR 23 HA THR 23 -9.346 -9.682 -3.867
151 HB THR 23 HB THR 23 -6.861 -11.403 -3.975
152 HG1 THR 23 HG1 THR 23 -8.961 -11.077 -5.878
153 HG21 THR 23 3HG2 THR 23 -9.130 -12.948 -4.448
154 HG22 THR 23 1HG2 THR 23 -9.568 -11.915 -3.088
155 HG23 THR 23 2HG2 THR 23 -8.140 -12.945 -2.989
156 H GLN 24 H GLN 24 -6.199 -9.475 -2.278
157 HA GLN 24 HA GLN 24 -7.523 -10.030 0.293
158 HB2 GLN 24 1HB GLN 24 -4.725 -10.523 -0.676
159 HB3 GLN 24 2HB GLN 24 -5.065 -10.394 1.044
160 HG2 GLN 24 1HG GLN 24 -6.711 -12.250 -0.592
161 HG3 GLN 24 2HG GLN 24 -5.059 -12.713 -0.189
162 HE21 GLN 24 1HE2 GLN 24 -8.188 -11.852 1.124
163 HE22 GLN 24 2HE2 GLN 24 -7.956 -12.586 2.670
164 H ASN 25 H ASN 25 -7.608 -8.470 1.783
165 HA ASN 25 HA ASN 25 -7.028 -5.817 1.227
166 HB2 ASN 25 1HB ASN 25 -8.580 -6.567 3.003
167 HB3 ASN 25 2HB ASN 25 -7.203 -7.104 3.962
168 HD21 ASN 25 1HD2 ASN 25 -8.376 -4.221 2.261
169 HD22 ASN 25 2HD2 ASN 25 -7.868 -3.094 3.468
170 H SER 26 H SER 26 -5.090 -8.223 2.948
171 HA SER 26 HA SER 26 -3.064 -6.620 3.927
172 HB2 SER 26 1HB SER 26 -1.620 -8.646 3.776
173 HB3 SER 26 2HB SER 26 -3.197 -8.976 4.494
174 HG SER 26 HG SER 26 -2.320 -10.425 2.736
175 H HIS 27 H HIS 27 -3.537 -7.866 0.673
176 HA HIS 27 HA HIS 27 -0.999 -7.073 -0.333
177 HB2 HIS 27 1HB HIS 27 -3.609 -7.805 -1.647
178 HB3 HIS 27 2HB HIS 27 -2.210 -7.295 -2.587
179 HD2 HIS 27 HD2 HIS 27 -1.294 -9.543 0.384
180 HE1 HIS 27 HE1 HIS 27 -1.354 -11.991 -3.080
181 HE2 HIS 27 HE2 HIS 27 -0.806 -11.874 -0.625
182 H LEU 28 H LEU 28 -4.020 -5.442 0.164
183 HA LEU 28 HA LEU 28 -3.365 -3.215 -1.555
184 HB2 LEU 28 1HB LEU 28 -5.669 -3.766 -1.362
185 HB3 LEU 28 2HB LEU 28 -5.593 -3.734 0.398
186 HG LEU 28 HG LEU 28 -5.396 -1.337 0.401
187 HD11 LEU 28 1HD1 LEU 28 -5.214 0.003 -1.523
188 HD12 LEU 28 2HD1 LEU 28 -5.578 -1.346 -2.598
189 HD13 LEU 28 3HD1 LEU 28 -4.037 -1.293 -1.742
190 HD21 LEU 28 3HD2 LEU 28 -7.595 -2.577 -1.183
191 HD22 LEU 28 1HD2 LEU 28 -7.530 -0.821 -1.035
192 HD23 LEU 28 2HD2 LEU 28 -7.637 -1.824 0.412
193 H ALA 29 H ALA 29 -3.747 -3.699 1.953
194 HA ALA 29 HA ALA 29 -3.062 -1.176 2.834
195 HB1 ALA 29 3HB ALA 29 -2.146 -3.650 4.266
196 HB2 ALA 29 1HB ALA 29 -2.685 -2.114 4.946
197 HB3 ALA 29 2HB ALA 29 -3.849 -3.198 4.182
198 H ARG 30 H ARG 30 -0.878 -3.918 2.211
199 HA ARG 30 HA ARG 30 1.505 -2.617 2.906
200 HB2 ARG 30 1HB ARG 30 2.643 -4.409 1.829
201 HB3 ARG 30 2HB ARG 30 1.182 -5.090 2.532
202 HG2 ARG 30 1HG ARG 30 0.147 -4.729 0.205
203 HG3 ARG 30 2HG ARG 30 1.817 -4.565 -0.343
204 HD2 ARG 30 1HD ARG 30 0.651 -6.931 1.122
205 HD3 ARG 30 2HD ARG 30 1.020 -6.858 -0.601
206 HE ARG 30 HE ARG 30 3.388 -6.271 0.583
207 HH11 ARG 30 1HH1 ARG 30 1.103 -8.877 0.913
208 HH12 ARG 30 2HH1 ARG 30 2.304 -10.049 1.342
209 HH21 ARG 30 1HH2 ARG 30 4.978 -7.806 1.147
210 HH22 ARG 30 2HH2 ARG 30 4.508 -9.439 1.476
211 H HIS 31 H HIS 31 -0.354 -2.645 -0.065
212 HA HIS 31 HA HIS 31 1.643 -1.450 -1.703
213 HB2 HIS 31 1HB HIS 31 0.070 -2.456 -3.030
214 HB3 HIS 31 2HB HIS 31 -1.259 -2.047 -1.950
215 HD1 HIS 31 HD1 HIS 31 0.893 -0.517 -4.648
216 HD2 HIS 31 HD2 HIS 31 -2.662 0.216 -2.627
217 HE1 HIS 31 HE1 HIS 31 -0.184 1.407 -5.857
218 H ARG 32 H ARG 32 -1.241 -0.150 -0.070
219 HA ARG 32 HA ARG 32 -1.284 2.432 -0.807
220 HB2 ARG 32 1HB ARG 32 -1.498 1.386 2.021
221 HB3 ARG 32 2HB ARG 32 -1.972 3.007 1.528
222 HG2 ARG 32 1HG ARG 32 -3.649 2.074 0.028
223 HG3 ARG 32 2HG ARG 32 -3.164 0.442 0.495
224 HD2 ARG 32 1HD ARG 32 -5.120 1.012 1.741
225 HD3 ARG 32 2HD ARG 32 -3.748 1.024 2.849
226 HE ARG 32 HE ARG 32 -5.343 3.291 2.018
227 HH11 ARG 32 1HH1 ARG 32 -2.391 2.185 3.495
228 HH12 ARG 32 2HH1 ARG 32 -2.097 3.675 4.330
229 HH21 ARG 32 1HH2 ARG 32 -4.968 5.257 3.112
230 HH22 ARG 32 2HH2 ARG 32 -3.564 5.421 4.112
231 H GLY 33 H GLY 33 1.253 0.896 0.994
232 HA2 GLY 33 1HA GLY 33 2.501 3.056 2.210
233 HA3 GLY 33 2HA GLY 33 3.338 1.633 1.609
234 H ILE 34 H ILE 34 2.911 1.866 -1.111
235 HA ILE 34 HA ILE 34 4.956 3.584 -1.897
236 HB ILE 34 HB ILE 34 4.317 3.152 -4.175
237 HG12 ILE 34 1HG1 ILE 34 1.830 1.708 -3.382
238 HG13 ILE 34 2HG1 ILE 34 1.773 3.466 -3.461
239 HG21 ILE 34 1HG2 ILE 34 3.697 0.540 -3.747
240 HG22 ILE 34 2HG2 ILE 34 5.321 1.217 -3.647
241 HG23 ILE 34 3HG2 ILE 34 4.364 1.004 -2.182
242 HD11 ILE 34 3HD1 ILE 34 3.005 2.769 -5.818
243 HD12 ILE 34 1HD1 ILE 34 1.797 1.504 -5.594
244 HD13 ILE 34 2HD1 ILE 34 1.307 3.199 -5.614
245 H HIS 35 H HIS 35 1.713 4.290 -1.140
246 HA HIS 35 HA HIS 35 1.668 6.758 -2.693
247 HB2 HIS 35 1HB HIS 35 -0.380 5.392 -0.947
248 HB3 HIS 35 2HB HIS 35 -0.633 6.992 -1.640
249 HD1 HIS 35 HD1 HIS 35 0.229 6.688 -4.476
250 HD2 HIS 35 HD2 HIS 35 -1.842 3.703 -2.460
251 HE1 HIS 35 HE1 HIS 35 -0.850 5.290 -6.267
252 H THR 36 H THR 36 0.932 5.955 0.706
253 HA THR 36 HA THR 36 1.161 8.527 1.720
254 HB THR 36 HB THR 36 1.653 7.413 3.929
255 HG1 THR 36 HG1 THR 36 1.321 5.010 2.438
256 HG21 THR 36 3HG2 THR 36 -0.635 7.843 3.255
257 HG22 THR 36 1HG2 THR 36 -0.542 6.276 4.058
258 HG23 THR 36 2HG2 THR 36 -0.662 6.361 2.300
259 H GLY 37 H GLY 37 2.939 8.787 3.665
260 HA2 GLY 37 1HA GLY 37 5.237 8.798 4.220
261 HA3 GLY 37 2HA GLY 37 5.603 8.193 2.611
262 H GLU 38 H GLU 38 4.207 10.052 1.066
263 HA GLU 38 HA GLU 38 6.025 12.292 1.248
264 HB2 GLU 38 1HB GLU 38 3.944 11.445 -0.754
265 HB3 GLU 38 2HB GLU 38 4.730 13.014 -0.855
266 HG2 GLU 38 1HG GLU 38 6.199 10.390 -0.824
267 HG3 GLU 38 2HG GLU 38 5.744 11.259 -2.289
268 H LYS 39 H LYS 39 5.605 14.114 2.287
269 HA LYS 39 HA LYS 39 3.555 14.756 3.874
270 HB2 LYS 39 1HB LYS 39 5.110 16.609 2.072
271 HB3 LYS 39 2HB LYS 39 3.993 17.195 3.298
272 HG2 LYS 39 1HG LYS 39 5.314 16.027 5.020
273 HG3 LYS 39 2HG LYS 39 6.461 15.534 3.771
274 HD2 LYS 39 1HD LYS 39 7.467 17.430 4.635
275 HD3 LYS 39 2HD LYS 39 6.584 18.080 3.251
276 HE2 LYS 39 1HE LYS 39 4.821 18.867 4.668
277 HE3 LYS 39 2HE LYS 39 5.510 18.045 6.067
278 HZ1 LYS 39 3HZ LYS 39 7.539 19.624 5.214
279 HZ2 LYS 39 1HZ LYS 39 6.481 19.991 6.483
280 HZ3 LYS 39 2HZ LYS 39 6.182 20.595 4.932
281 HA PRO 40 HA PRO 40 -0.127 15.184 1.500
282 HB2 PRO 40 1HB PRO 40 -1.554 16.752 3.195
283 HB3 PRO 40 2HB PRO 40 -1.254 15.037 3.497
284 HG2 PRO 40 1HG PRO 40 0.151 17.431 4.616
285 HG3 PRO 40 2HG PRO 40 -0.369 15.952 5.443
286 HD2 PRO 40 1HD PRO 40 2.192 16.363 4.666
287 HD3 PRO 40 2HD PRO 40 1.454 14.749 4.706
288 H SER 41 H SER 41 -1.652 16.935 0.716
289 HA SER 41 HA SER 41 -0.108 19.363 0.078
290 HB2 SER 41 1HB SER 41 -0.586 17.829 -1.849
291 HB3 SER 41 2HB SER 41 -2.305 18.120 -1.590
292 HG SER 41 HG SER 41 -1.830 20.379 -1.908
293 H GLY 42 H GLY 42 -1.682 19.138 2.426
294 HA2 GLY 42 1HA GLY 42 -3.415 21.419 2.021
295 HA3 GLY 42 2HA GLY 42 -4.259 19.945 2.472
296 HA PRO 43 HA PRO 43 -3.118 22.150 6.371
297 HB2 PRO 43 1HB PRO 43 -5.516 21.735 7.573
298 HB3 PRO 43 2HB PRO 43 -5.203 23.105 6.501
299 HG2 PRO 43 1HG PRO 43 -6.573 20.511 5.908
300 HG3 PRO 43 2HG PRO 43 -7.029 22.154 5.420
301 HD2 PRO 43 1HD PRO 43 -5.764 20.436 3.752
302 HD3 PRO 43 2HD PRO 43 -5.514 22.193 3.683
303 H SER 44 H SER 44 -2.298 21.164 8.137
304 HA SER 44 HA SER 44 -2.102 18.345 8.222
305 HB2 SER 44 1HB SER 44 -0.533 20.205 9.209
306 HB3 SER 44 2HB SER 44 -1.553 20.033 10.638
307 HG SER 44 HG SER 44 0.440 18.630 10.337
308 H SER 45 H SER 45 -2.795 16.927 9.946
309 HA SER 45 HA SER 45 -5.519 17.552 10.792
310 HB2 SER 45 1HB SER 45 -3.954 15.046 10.383
311 HB3 SER 45 2HB SER 45 -5.269 15.013 11.557
312 HG SER 45 HG SER 45 -5.695 14.531 9.193
313 H GLY 46 H GLY 46 -6.181 16.707 12.992
314 HA2 GLY 46 1HA GLY 46 -4.028 17.125 14.966
315 HA3 GLY 46 2HA GLY 46 -5.566 17.962 15.117
Start of MODEL 11
1 H1 GLY 1 H GLY 1 -34.797 17.951 -5.922
2 HA2 GLY 1 1HA GLY 1 -32.734 16.596 -4.480
3 HA3 GLY 1 2HA GLY 1 -33.544 16.016 -5.928
4 H SER 2 H SER 2 -32.744 16.661 -7.988
5 HA SER 2 HA SER 2 -31.085 16.986 -9.510
6 HB2 SER 2 1HB SER 2 -31.282 19.324 -8.701
7 HB3 SER 2 2HB SER 2 -30.044 18.988 -7.491
8 HG SER 2 HG SER 2 -28.889 18.236 -9.608
9 H SER 3 H SER 3 -30.741 14.814 -7.816
10 HA SER 3 HA SER 3 -27.835 14.566 -7.874
11 HB2 SER 3 1HB SER 3 -27.693 13.658 -5.631
12 HB3 SER 3 2HB SER 3 -28.444 15.252 -5.552
13 HG SER 3 HG SER 3 -30.493 14.109 -5.544
14 H GLY 4 H GLY 4 -27.255 12.182 -7.247
15 HA2 GLY 4 1HA GLY 4 -29.147 10.130 -7.625
16 HA3 GLY 4 2HA GLY 4 -28.404 10.504 -9.174
17 H SER 5 H SER 5 -28.185 8.615 -6.450
18 HA SER 5 HA SER 5 -25.293 8.350 -6.468
19 HB2 SER 5 1HB SER 5 -27.387 6.836 -4.890
20 HB3 SER 5 2HB SER 5 -25.644 6.736 -4.644
21 HG SER 5 HG SER 5 -26.030 9.228 -4.481
22 H SER 6 H SER 6 -24.333 7.133 -7.943
23 HA SER 6 HA SER 6 -25.203 4.441 -8.442
24 HB2 SER 6 1HB SER 6 -25.420 6.533 -10.610
25 HB3 SER 6 2HB SER 6 -25.327 4.806 -10.954
26 HG SER 6 HG SER 6 -27.442 6.277 -10.138
27 H GLY 7 H GLY 7 -23.580 3.155 -9.270
28 HA2 GLY 7 1HA GLY 7 -21.501 2.669 -10.234
29 HA3 GLY 7 2HA GLY 7 -21.154 4.391 -10.299
30 H THR 8 H THR 8 -22.053 2.271 -7.589
31 HA THR 8 HA THR 8 -20.097 3.477 -5.884
32 HB THR 8 HB THR 8 -21.710 0.963 -5.410
33 HG1 THR 8 HG1 THR 8 -23.109 2.423 -4.282
34 HG21 THR 8 3HG2 THR 8 -20.713 0.827 -3.422
35 HG22 THR 8 1HG2 THR 8 -21.087 2.514 -3.072
36 HG23 THR 8 2HG2 THR 8 -19.606 2.100 -3.935
37 H GLY 9 H GLY 9 -20.507 0.093 -6.963
38 HA2 GLY 9 1HA GLY 9 -18.511 -0.919 -8.063
39 HA3 GLY 9 2HA GLY 9 -17.570 -0.188 -6.770
40 H LYS 10 H LYS 10 -17.794 -3.000 -7.562
41 HA LYS 10 HA LYS 10 -18.610 -4.065 -4.948
42 HB2 LYS 10 1HB LYS 10 -19.367 -6.149 -6.225
43 HB3 LYS 10 2HB LYS 10 -20.419 -4.741 -6.289
44 HG2 LYS 10 1HG LYS 10 -18.393 -5.164 -8.437
45 HG3 LYS 10 2HG LYS 10 -19.898 -6.087 -8.451
46 HD2 LYS 10 1HD LYS 10 -20.065 -3.146 -8.045
47 HD3 LYS 10 2HD LYS 10 -19.682 -3.739 -9.663
48 HE2 LYS 10 1HE LYS 10 -22.003 -4.820 -8.096
49 HE3 LYS 10 2HE LYS 10 -22.149 -3.355 -9.066
50 HZ1 LYS 10 3HZ LYS 10 -21.224 -4.773 -10.946
51 HZ2 LYS 10 1HZ LYS 10 -22.821 -5.067 -10.472
52 HZ3 LYS 10 2HZ LYS 10 -21.586 -6.110 -9.975
53 H LYS 11 H LYS 11 -16.223 -3.749 -4.712
54 HA LYS 11 HA LYS 11 -14.787 -6.097 -5.765
55 HB2 LYS 11 1HB LYS 11 -13.970 -3.243 -5.571
56 HB3 LYS 11 2HB LYS 11 -12.742 -4.457 -5.240
57 HG2 LYS 11 1HG LYS 11 -12.423 -4.214 -7.471
58 HG3 LYS 11 2HG LYS 11 -13.658 -5.475 -7.504
59 HD2 LYS 11 1HD LYS 11 -14.578 -4.015 -8.997
60 HD3 LYS 11 2HD LYS 11 -15.275 -3.375 -7.507
61 HE2 LYS 11 1HE LYS 11 -12.649 -2.356 -8.519
62 HE3 LYS 11 2HE LYS 11 -14.160 -1.752 -9.196
63 HZ1 LYS 11 3HZ LYS 11 -13.100 -1.448 -6.469
64 HZ2 LYS 11 1HZ LYS 11 -14.771 -1.392 -6.724
65 HZ3 LYS 11 2HZ LYS 11 -13.761 -0.278 -7.498
66 HA PRO 12 HA PRO 12 -13.813 -7.286 -1.656
67 HB2 PRO 12 1HB PRO 12 -11.254 -8.164 -1.885
68 HB3 PRO 12 2HB PRO 12 -12.636 -9.049 -2.542
69 HG2 PRO 12 1HG PRO 12 -10.712 -7.232 -3.941
70 HG3 PRO 12 2HG PRO 12 -11.364 -8.794 -4.472
71 HD2 PRO 12 1HD PRO 12 -12.325 -6.430 -5.378
72 HD3 PRO 12 2HD PRO 12 -13.351 -7.865 -5.180
73 H TYR 13 H TYR 13 -11.031 -5.564 -3.090
74 HA TYR 13 HA TYR 13 -11.032 -3.681 -0.887
75 HB2 TYR 13 1HB TYR 13 -8.534 -5.284 -1.445
76 HB3 TYR 13 2HB TYR 13 -8.783 -4.101 -0.165
77 HD1 TYR 13 HD1 TYR 13 -10.442 -4.645 1.672
78 HD2 TYR 13 HD2 TYR 13 -9.059 -7.553 -1.109
79 HE1 TYR 13 HE1 TYR 13 -11.165 -6.436 3.195
80 HE2 TYR 13 HE2 TYR 13 -9.779 -9.352 0.405
81 HH TYR 13 HH TYR 13 -10.385 -9.790 2.586
82 H LYS 14 H LYS 14 -10.919 -1.788 -1.876
83 HA LYS 14 HA LYS 14 -9.127 -1.517 -4.202
84 HB2 LYS 14 1HB LYS 14 -11.406 -1.286 -4.937
85 HB3 LYS 14 2HB LYS 14 -11.765 -0.159 -3.635
86 HG2 LYS 14 1HG LYS 14 -10.004 1.355 -4.686
87 HG3 LYS 14 2HG LYS 14 -10.104 0.291 -6.091
88 HD2 LYS 14 1HD LYS 14 -12.586 0.705 -6.095
89 HD3 LYS 14 2HD LYS 14 -12.308 1.944 -4.869
90 HE2 LYS 14 1HE LYS 14 -10.954 3.220 -6.367
91 HE3 LYS 14 2HE LYS 14 -10.947 1.919 -7.557
92 HZ1 LYS 14 3HZ LYS 14 -12.785 4.018 -7.286
93 HZ2 LYS 14 1HZ LYS 14 -13.606 2.566 -7.004
94 HZ3 LYS 14 2HZ LYS 14 -12.758 2.790 -8.449
95 H CYS 15 H CYS 15 -7.743 0.202 -4.273
96 HA CYS 15 HA CYS 15 -7.151 1.493 -1.781
97 HB2 CYS 15 1HB CYS 15 -5.429 0.740 -3.462
98 HB3 CYS 15 2HB CYS 15 -5.945 2.073 -4.490
99 H ASN 16 H ASN 16 -8.017 3.313 -1.062
100 HA ASN 16 HA ASN 16 -9.711 4.917 -2.739
101 HB2 ASN 16 1HB ASN 16 -9.930 4.374 -0.185
102 HB3 ASN 16 2HB ASN 16 -8.853 5.754 0.010
103 HD21 ASN 16 1HD2 ASN 16 -11.964 4.706 -1.210
104 HD22 ASN 16 2HD2 ASN 16 -12.715 6.262 -1.173
105 H GLU 17 H GLU 17 -6.542 4.749 -2.773
106 HA GLU 17 HA GLU 17 -6.030 7.637 -2.766
107 HB2 GLU 17 1HB GLU 17 -4.059 5.353 -2.959
108 HB3 GLU 17 2HB GLU 17 -3.663 7.056 -2.782
109 HG2 GLU 17 1HG GLU 17 -5.038 5.297 -0.769
110 HG3 GLU 17 2HG GLU 17 -3.413 5.971 -0.666
111 H CYS 18 H CYS 18 -5.383 4.767 -4.777
112 HA CYS 18 HA CYS 18 -5.215 6.545 -7.117
113 HB2 CYS 18 1HB CYS 18 -4.048 4.580 -8.199
114 HB3 CYS 18 2HB CYS 18 -3.171 5.342 -6.876
115 H GLY 19 H GLY 19 -6.479 3.409 -6.022
116 HA2 GLY 19 1HA GLY 19 -8.904 3.098 -6.585
117 HA3 GLY 19 2HA GLY 19 -8.449 3.555 -8.221
118 H LYS 20 H LYS 20 -6.006 1.757 -6.811
119 HA LYS 20 HA LYS 20 -6.373 -0.428 -8.573
120 HB2 LYS 20 1HB LYS 20 -4.224 0.529 -7.356
121 HB3 LYS 20 2HB LYS 20 -4.643 -0.684 -6.153
122 HG2 LYS 20 1HG LYS 20 -4.296 -2.447 -7.629
123 HG3 LYS 20 2HG LYS 20 -4.413 -1.406 -9.049
124 HD2 LYS 20 1HD LYS 20 -2.231 -0.953 -7.058
125 HD3 LYS 20 2HD LYS 20 -2.082 -2.262 -8.233
126 HE2 LYS 20 1HE LYS 20 -2.820 0.491 -9.138
127 HE3 LYS 20 2HE LYS 20 -1.136 0.100 -8.790
128 HZ1 LYS 20 3HZ LYS 20 -0.973 -0.898 -10.744
129 HZ2 LYS 20 1HZ LYS 20 -2.556 -0.432 -11.116
130 HZ3 LYS 20 2HZ LYS 20 -2.265 -1.929 -10.386
131 H VAL 21 H VAL 21 -6.404 -2.735 -7.806
132 HA VAL 21 HA VAL 21 -8.053 -3.104 -5.404
133 HB VAL 21 HB VAL 21 -8.657 -4.420 -8.055
134 HG11 VAL 21 1HG1 VAL 21 -9.152 -5.672 -5.905
135 HG12 VAL 21 2HG1 VAL 21 -10.342 -4.414 -5.565
136 HG13 VAL 21 3HG1 VAL 21 -10.511 -5.425 -7.001
137 HG21 VAL 21 3HG2 VAL 21 -9.827 -2.610 -8.593
138 HG22 VAL 21 1HG2 VAL 21 -10.822 -2.851 -7.156
139 HG23 VAL 21 2HG2 VAL 21 -9.381 -1.837 -7.071
140 H PHE 22 H PHE 22 -7.781 -5.052 -4.342
141 HA PHE 22 HA PHE 22 -5.892 -6.978 -5.482
142 HB2 PHE 22 1HB PHE 22 -5.639 -5.993 -2.640
143 HB3 PHE 22 2HB PHE 22 -4.530 -7.041 -3.518
144 HD1 PHE 22 HD2 PHE 22 -5.919 -3.601 -3.471
145 HD2 PHE 22 HD1 PHE 22 -2.730 -6.144 -4.685
146 HE1 PHE 22 HE2 PHE 22 -4.618 -1.632 -4.166
147 HE2 PHE 22 HE1 PHE 22 -1.423 -4.179 -5.382
148 HZ PHE 22 HZ PHE 22 -2.368 -1.920 -5.124
149 H THR 23 H THR 23 -6.428 -9.047 -5.110
150 HA THR 23 HA THR 23 -8.932 -9.773 -4.160
151 HB THR 23 HB THR 23 -8.025 -12.106 -4.039
152 HG1 THR 23 HG1 THR 23 -5.911 -12.455 -4.239
153 HG21 THR 23 3HG2 THR 23 -8.035 -10.334 -6.360
154 HG22 THR 23 1HG2 THR 23 -8.723 -11.946 -6.165
155 HG23 THR 23 2HG2 THR 23 -7.017 -11.759 -6.574
156 H GLN 24 H GLN 24 -5.849 -9.580 -2.469
157 HA GLN 24 HA GLN 24 -7.236 -10.275 0.035
158 HB2 GLN 24 1HB GLN 24 -4.292 -10.470 -0.626
159 HB3 GLN 24 2HB GLN 24 -5.014 -10.870 0.927
160 HG2 GLN 24 1HG GLN 24 -6.198 -12.711 -0.010
161 HG3 GLN 24 2HG GLN 24 -5.748 -12.236 -1.647
162 HE21 GLN 24 1HE2 GLN 24 -4.442 -13.342 1.433
163 HE22 GLN 24 2HE2 GLN 24 -3.068 -14.150 0.768
164 H ASN 25 H ASN 25 -7.454 -8.744 1.530
165 HA ASN 25 HA ASN 25 -6.945 -6.079 1.139
166 HB2 ASN 25 1HB ASN 25 -7.301 -5.766 3.528
167 HB3 ASN 25 2HB ASN 25 -8.417 -6.982 2.913
168 HD21 ASN 25 1HD2 ASN 25 -8.280 -9.055 3.633
169 HD22 ASN 25 2HD2 ASN 25 -7.225 -9.557 4.906
170 H SER 26 H SER 26 -4.908 -8.399 2.899
171 HA SER 26 HA SER 26 -2.932 -6.816 3.876
172 HB2 SER 26 1HB SER 26 -2.686 -9.515 2.538
173 HB3 SER 26 2HB SER 26 -1.355 -8.742 3.398
174 HG SER 26 HG SER 26 -3.866 -9.103 4.628
175 H HIS 27 H HIS 27 -3.288 -7.885 0.525
176 HA HIS 27 HA HIS 27 -0.864 -6.843 -0.449
177 HB2 HIS 27 1HB HIS 27 -3.497 -7.413 -1.810
178 HB3 HIS 27 2HB HIS 27 -2.064 -6.880 -2.684
179 HD2 HIS 27 HD2 HIS 27 -2.396 -9.780 0.003
180 HE1 HIS 27 HE1 HIS 27 -0.565 -11.277 -3.519
181 HE2 HIS 27 HE2 HIS 27 -1.392 -11.835 -1.206
182 H LEU 28 H LEU 28 -4.070 -5.415 -0.089
183 HA LEU 28 HA LEU 28 -3.435 -2.981 -1.424
184 HB2 LEU 28 1HB LEU 28 -5.713 -3.553 -1.314
185 HB3 LEU 28 2HB LEU 28 -5.642 -3.826 0.426
186 HG LEU 28 HG LEU 28 -5.456 -1.436 0.818
187 HD11 LEU 28 1HD1 LEU 28 -4.351 -1.205 -1.592
188 HD12 LEU 28 2HD1 LEU 28 -5.140 0.144 -0.777
189 HD13 LEU 28 3HD1 LEU 28 -6.006 -0.767 -2.013
190 HD21 LEU 28 3HD2 LEU 28 -7.678 -2.072 0.864
191 HD22 LEU 28 1HD2 LEU 28 -7.713 -2.457 -0.857
192 HD23 LEU 28 2HD2 LEU 28 -7.689 -0.774 -0.330
193 H ALA 29 H ALA 29 -3.988 -3.674 2.034
194 HA ALA 29 HA ALA 29 -3.320 -1.286 3.149
195 HB1 ALA 29 3HB ALA 29 -3.654 -2.491 4.980
196 HB2 ALA 29 1HB ALA 29 -3.501 -3.981 4.047
197 HB3 ALA 29 2HB ALA 29 -2.071 -3.241 4.769
198 H ARG 30 H ARG 30 -1.018 -3.867 2.299
199 HA ARG 30 HA ARG 30 1.285 -2.399 3.066
200 HB2 ARG 30 1HB ARG 30 2.552 -4.161 2.097
201 HB3 ARG 30 2HB ARG 30 1.122 -4.906 2.800
202 HG2 ARG 30 1HG ARG 30 0.092 -5.068 0.618
203 HG3 ARG 30 2HG ARG 30 1.462 -4.231 -0.114
204 HD2 ARG 30 1HD ARG 30 2.941 -6.056 0.573
205 HD3 ARG 30 2HD ARG 30 1.572 -6.888 1.310
206 HE ARG 30 HE ARG 30 1.029 -6.351 -1.407
207 HH11 ARG 30 1HH1 ARG 30 2.968 -8.404 0.628
208 HH12 ARG 30 2HH1 ARG 30 3.041 -9.697 -0.523
209 HH21 ARG 30 1HH2 ARG 30 1.117 -8.046 -2.931
210 HH22 ARG 30 2HH2 ARG 30 1.988 -9.492 -2.547
211 H HIS 31 H HIS 31 -0.564 -2.637 0.110
212 HA HIS 31 HA HIS 31 1.339 -1.506 -1.643
213 HB2 HIS 31 1HB HIS 31 -0.350 -2.494 -2.838
214 HB3 HIS 31 2HB HIS 31 -1.597 -1.988 -1.702
215 HD1 HIS 31 HD1 HIS 31 0.200 -0.917 -4.779
216 HD2 HIS 31 HD2 HIS 31 -2.673 0.577 -2.176
217 HE1 HIS 31 HE1 HIS 31 -0.792 1.078 -5.945
218 H ARG 32 H ARG 32 -1.386 -0.051 0.125
219 HA ARG 32 HA ARG 32 -1.378 2.510 -0.690
220 HB2 ARG 32 1HB ARG 32 -1.428 1.614 2.197
221 HB3 ARG 32 2HB ARG 32 -1.964 3.185 1.615
222 HG2 ARG 32 1HG ARG 32 -3.851 2.319 0.611
223 HG3 ARG 32 2HG ARG 32 -3.168 0.697 0.491
224 HD2 ARG 32 1HD ARG 32 -4.605 0.364 2.228
225 HD3 ARG 32 2HD ARG 32 -3.184 0.890 3.129
226 HE ARG 32 HE ARG 32 -5.663 2.335 2.780
227 HH11 ARG 32 1HH1 ARG 32 -2.300 2.497 3.665
228 HH12 ARG 32 2HH1 ARG 32 -2.479 3.950 4.592
229 HH21 ARG 32 1HH2 ARG 32 -5.912 4.248 3.997
230 HH22 ARG 32 2HH2 ARG 32 -4.535 4.945 4.781
231 H GLY 33 H GLY 33 1.205 0.924 0.992
232 HA2 GLY 33 1HA GLY 33 2.600 3.075 2.068
233 HA3 GLY 33 2HA GLY 33 3.345 1.597 1.478
234 H ILE 34 H ILE 34 2.764 1.755 -1.224
235 HA ILE 34 HA ILE 34 4.843 3.206 -2.261
236 HB ILE 34 HB ILE 34 3.853 2.974 -4.441
237 HG12 ILE 34 1HG1 ILE 34 1.282 1.931 -3.342
238 HG13 ILE 34 2HG1 ILE 34 1.512 3.676 -3.396
239 HG21 ILE 34 1HG2 ILE 34 2.846 0.482 -3.937
240 HG22 ILE 34 2HG2 ILE 34 4.555 0.874 -4.118
241 HG23 ILE 34 3HG2 ILE 34 3.837 0.783 -2.510
242 HD11 ILE 34 3HD1 ILE 34 1.052 1.760 -5.566
243 HD12 ILE 34 1HD1 ILE 34 0.630 3.468 -5.442
244 HD13 ILE 34 2HD1 ILE 34 2.268 2.994 -5.895
245 H HIS 35 H HIS 35 1.726 4.356 -1.296
246 HA HIS 35 HA HIS 35 1.884 6.837 -2.748
247 HB2 HIS 35 1HB HIS 35 0.036 5.842 -0.578
248 HB3 HIS 35 2HB HIS 35 -0.096 7.449 -1.287
249 HD1 HIS 35 HD1 HIS 35 -0.112 7.175 -4.149
250 HD2 HIS 35 HD2 HIS 35 -1.709 4.172 -1.763
251 HE1 HIS 35 HE1 HIS 35 -1.673 5.888 -5.643
252 H THR 36 H THR 36 1.940 6.018 0.725
253 HA THR 36 HA THR 36 2.656 8.548 1.656
254 HB THR 36 HB THR 36 2.959 7.599 3.731
255 HG1 THR 36 HG1 THR 36 4.792 6.340 3.208
256 HG21 THR 36 3HG2 THR 36 0.835 6.735 2.432
257 HG22 THR 36 1HG2 THR 36 1.221 6.126 4.042
258 HG23 THR 36 2HG2 THR 36 1.632 5.173 2.616
259 H GLY 37 H GLY 37 4.795 5.721 1.198
260 HA2 GLY 37 1HA GLY 37 6.887 6.020 -0.022
261 HA3 GLY 37 2HA GLY 37 6.996 7.623 0.690
262 H GLU 38 H GLU 38 8.706 7.642 1.993
263 HA GLU 38 HA GLU 38 9.163 5.316 3.737
264 HB2 GLU 38 1HB GLU 38 10.998 7.351 2.525
265 HB3 GLU 38 2HB GLU 38 11.469 6.525 4.004
266 HG2 GLU 38 1HG GLU 38 11.644 4.479 2.971
267 HG3 GLU 38 2HG GLU 38 10.549 4.927 1.664
268 H LYS 39 H LYS 39 7.342 6.342 5.006
269 HA LYS 39 HA LYS 39 8.461 8.315 6.887
270 HB2 LYS 39 1HB LYS 39 6.622 9.201 5.403
271 HB3 LYS 39 2HB LYS 39 5.539 8.050 6.174
272 HG2 LYS 39 1HG LYS 39 6.053 9.111 8.358
273 HG3 LYS 39 2HG LYS 39 6.997 10.327 7.495
274 HD2 LYS 39 1HD LYS 39 5.086 11.169 6.391
275 HD3 LYS 39 2HD LYS 39 4.112 9.771 6.850
276 HE2 LYS 39 1HE LYS 39 4.115 10.453 9.151
277 HE3 LYS 39 2HE LYS 39 5.265 11.745 8.814
278 HZ1 LYS 39 3HZ LYS 39 3.080 12.667 8.982
279 HZ2 LYS 39 1HZ LYS 39 2.463 11.570 7.851
280 HZ3 LYS 39 2HZ LYS 39 3.564 12.757 7.364
281 HA PRO 40 HA PRO 40 7.763 5.251 9.980
282 HB2 PRO 40 1HB PRO 40 7.837 6.864 12.162
283 HB3 PRO 40 2HB PRO 40 9.283 6.413 11.251
284 HG2 PRO 40 1HG PRO 40 7.669 8.931 11.116
285 HG3 PRO 40 2HG PRO 40 9.431 8.730 11.124
286 HD2 PRO 40 1HD PRO 40 8.026 9.183 8.854
287 HD3 PRO 40 2HD PRO 40 9.507 8.204 8.881
288 H SER 41 H SER 41 6.350 4.986 12.010
289 HA SER 41 HA SER 41 3.645 5.923 11.340
290 HB2 SER 41 1HB SER 41 4.158 3.431 11.414
291 HB3 SER 41 2HB SER 41 4.345 3.614 13.158
292 HG SER 41 HG SER 41 2.107 4.750 12.731
293 H GLY 42 H GLY 42 2.268 6.733 12.939
294 HA2 GLY 42 1HA GLY 42 3.458 7.263 15.573
295 HA3 GLY 42 2HA GLY 42 2.876 8.619 14.618
296 HA PRO 43 HA PRO 43 -0.571 6.197 16.996
297 HB2 PRO 43 1HB PRO 43 -0.386 7.218 19.505
298 HB3 PRO 43 2HB PRO 43 0.434 5.732 19.009
299 HG2 PRO 43 1HG PRO 43 1.528 8.508 19.254
300 HG3 PRO 43 2HG PRO 43 2.255 6.970 19.755
301 HD2 PRO 43 1HD PRO 43 2.955 8.234 17.465
302 HD3 PRO 43 2HD PRO 43 2.966 6.465 17.621
303 H SER 44 H SER 44 -2.309 7.244 16.259
304 HA SER 44 HA SER 44 -2.560 10.127 16.786
305 HB2 SER 44 1HB SER 44 -2.620 9.543 14.414
306 HB3 SER 44 2HB SER 44 -3.934 8.404 14.709
307 HG SER 44 HG SER 44 -5.064 10.354 15.576
308 H SER 45 H SER 45 -4.670 7.266 16.464
309 HA SER 45 HA SER 45 -6.540 8.486 18.357
310 HB2 SER 45 1HB SER 45 -7.368 7.568 16.169
311 HB3 SER 45 2HB SER 45 -6.909 5.961 16.731
312 HG SER 45 HG SER 45 -8.715 5.906 17.780
313 H GLY 46 H GLY 46 -7.639 6.876 19.880
314 HA2 GLY 46 1HA GLY 46 -7.375 4.810 21.147
315 HA3 GLY 46 2HA GLY 46 -5.637 4.996 20.965
Start of MODEL 12
1 H1 GLY 1 H GLY 1 -20.267 20.594 -5.989
2 HA2 GLY 1 1HA GLY 1 -21.808 19.849 -8.076
3 HA3 GLY 1 2HA GLY 1 -21.404 18.737 -6.776
4 H SER 2 H SER 2 -23.447 17.709 -7.270
5 HA SER 2 HA SER 2 -25.733 19.153 -6.095
6 HB2 SER 2 1HB SER 2 -25.965 18.717 -8.543
7 HB3 SER 2 2HB SER 2 -25.862 16.989 -8.208
8 HG SER 2 HG SER 2 -27.886 17.028 -7.682
9 H SER 3 H SER 3 -24.734 15.809 -6.842
10 HA SER 3 HA SER 3 -24.777 14.967 -4.139
11 HB2 SER 3 1HB SER 3 -27.225 15.238 -4.489
12 HB3 SER 3 2HB SER 3 -27.141 14.063 -5.801
13 HG SER 3 HG SER 3 -27.530 12.723 -4.210
14 H GLY 4 H GLY 4 -24.336 12.674 -3.903
15 HA2 GLY 4 1HA GLY 4 -22.591 11.720 -5.946
16 HA3 GLY 4 2HA GLY 4 -23.040 10.861 -4.480
17 H SER 5 H SER 5 -22.731 9.395 -6.703
18 HA SER 5 HA SER 5 -25.500 8.705 -7.425
19 HB2 SER 5 1HB SER 5 -23.940 9.809 -9.250
20 HB3 SER 5 2HB SER 5 -23.284 8.177 -9.364
21 HG SER 5 HG SER 5 -26.063 8.537 -9.414
22 H SER 6 H SER 6 -22.195 7.390 -7.726
23 HA SER 6 HA SER 6 -22.907 4.700 -7.681
24 HB2 SER 6 1HB SER 6 -20.682 5.414 -8.354
25 HB3 SER 6 2HB SER 6 -20.351 6.016 -6.730
26 HG SER 6 HG SER 6 -19.741 3.691 -7.555
27 H GLY 7 H GLY 7 -22.512 3.100 -5.972
28 HA2 GLY 7 1HA GLY 7 -22.418 3.949 -3.233
29 HA3 GLY 7 2HA GLY 7 -24.033 3.460 -3.724
30 H THR 8 H THR 8 -23.856 1.296 -5.138
31 HA THR 8 HA THR 8 -22.952 -0.688 -3.284
32 HB THR 8 HB THR 8 -23.988 -1.098 -6.095
33 HG1 THR 8 HG1 THR 8 -25.256 -0.553 -3.659
34 HG21 THR 8 3HG2 THR 8 -24.134 -3.324 -5.649
35 HG22 THR 8 1HG2 THR 8 -24.405 -3.073 -3.925
36 HG23 THR 8 2HG2 THR 8 -22.776 -2.947 -4.589
37 H GLY 9 H GLY 9 -20.951 -1.451 -3.145
38 HA2 GLY 9 1HA GLY 9 -19.259 -1.377 -5.565
39 HA3 GLY 9 2HA GLY 9 -18.644 -1.212 -3.927
40 H LYS 10 H LYS 10 -18.887 -3.284 -6.456
41 HA LYS 10 HA LYS 10 -19.119 -5.703 -4.827
42 HB2 LYS 10 1HB LYS 10 -20.306 -5.393 -7.074
43 HB3 LYS 10 2HB LYS 10 -18.722 -5.585 -7.813
44 HG2 LYS 10 1HG LYS 10 -19.580 -7.719 -7.917
45 HG3 LYS 10 2HG LYS 10 -18.616 -7.777 -6.440
46 HD2 LYS 10 1HD LYS 10 -20.577 -8.745 -5.726
47 HD3 LYS 10 2HD LYS 10 -20.864 -7.055 -5.305
48 HE2 LYS 10 1HE LYS 10 -21.683 -7.994 -8.006
49 HE3 LYS 10 2HE LYS 10 -22.655 -8.494 -6.623
50 HZ1 LYS 10 3HZ LYS 10 -23.608 -6.512 -6.610
51 HZ2 LYS 10 1HZ LYS 10 -22.700 -6.046 -7.959
52 HZ3 LYS 10 2HZ LYS 10 -22.112 -5.750 -6.401
53 H LYS 11 H LYS 11 -16.871 -4.222 -4.249
54 HA LYS 11 HA LYS 11 -14.734 -5.914 -5.368
55 HB2 LYS 11 1HB LYS 11 -14.513 -2.998 -4.595
56 HB3 LYS 11 2HB LYS 11 -13.190 -4.011 -5.158
57 HG2 LYS 11 1HG LYS 11 -15.605 -3.712 -6.872
58 HG3 LYS 11 2HG LYS 11 -14.435 -2.393 -6.791
59 HD2 LYS 11 1HD LYS 11 -12.650 -3.980 -7.412
60 HD3 LYS 11 2HD LYS 11 -13.862 -5.255 -7.561
61 HE2 LYS 11 1HE LYS 11 -13.322 -4.333 -9.743
62 HE3 LYS 11 2HE LYS 11 -14.991 -3.963 -9.313
63 HZ1 LYS 11 3HZ LYS 11 -12.687 -2.102 -9.089
64 HZ2 LYS 11 1HZ LYS 11 -14.280 -1.745 -8.646
65 HZ3 LYS 11 2HZ LYS 11 -13.900 -2.043 -10.267
66 HA PRO 12 HA PRO 12 -13.889 -7.031 -1.194
67 HB2 PRO 12 1HB PRO 12 -11.315 -7.844 -1.481
68 HB3 PRO 12 2HB PRO 12 -12.691 -8.787 -2.065
69 HG2 PRO 12 1HG PRO 12 -10.866 -6.961 -3.581
70 HG3 PRO 12 2HG PRO 12 -11.490 -8.556 -4.043
71 HD2 PRO 12 1HD PRO 12 -12.547 -6.249 -4.987
72 HD3 PRO 12 2HD PRO 12 -13.525 -7.706 -4.713
73 H TYR 13 H TYR 13 -11.271 -5.214 -2.800
74 HA TYR 13 HA TYR 13 -11.258 -3.234 -0.717
75 HB2 TYR 13 1HB TYR 13 -8.717 -4.821 -1.065
76 HB3 TYR 13 2HB TYR 13 -9.081 -3.610 0.159
77 HD1 TYR 13 HD1 TYR 13 -10.702 -4.153 1.980
78 HD2 TYR 13 HD2 TYR 13 -9.309 -7.100 -0.755
79 HE1 TYR 13 HE1 TYR 13 -11.452 -5.922 3.514
80 HE2 TYR 13 HE2 TYR 13 -10.057 -8.878 0.771
81 HH TYR 13 HH TYR 13 -10.458 -9.004 3.392
82 H LYS 14 H LYS 14 -11.209 -1.474 -1.945
83 HA LYS 14 HA LYS 14 -9.346 -1.396 -4.225
84 HB2 LYS 14 1HB LYS 14 -11.637 -1.150 -4.949
85 HB3 LYS 14 2HB LYS 14 -11.924 0.107 -3.753
86 HG2 LYS 14 1HG LYS 14 -9.997 1.341 -5.008
87 HG3 LYS 14 2HG LYS 14 -10.423 0.243 -6.323
88 HD2 LYS 14 1HD LYS 14 -12.640 1.076 -6.421
89 HD3 LYS 14 2HD LYS 14 -12.457 1.940 -4.892
90 HE2 LYS 14 1HE LYS 14 -12.226 3.647 -6.423
91 HE3 LYS 14 2HE LYS 14 -10.546 3.190 -6.146
92 HZ1 LYS 14 3HZ LYS 14 -10.559 1.912 -8.160
93 HZ2 LYS 14 1HZ LYS 14 -11.095 3.478 -8.511
94 HZ3 LYS 14 2HZ LYS 14 -12.207 2.207 -8.403
95 H CYS 15 H CYS 15 -7.951 0.317 -4.461
96 HA CYS 15 HA CYS 15 -7.340 1.781 -2.048
97 HB2 CYS 15 1HB CYS 15 -5.712 0.743 -3.843
98 HB3 CYS 15 2HB CYS 15 -5.950 2.290 -4.648
99 H ASN 16 H ASN 16 -8.275 3.642 -1.555
100 HA ASN 16 HA ASN 16 -9.717 5.174 -3.511
101 HB2 ASN 16 1HB ASN 16 -9.253 5.396 -0.557
102 HB3 ASN 16 2HB ASN 16 -9.913 6.769 -1.440
103 HD21 ASN 16 1HD2 ASN 16 -10.704 4.125 0.311
104 HD22 ASN 16 2HD2 ASN 16 -12.307 3.851 -0.273
105 H GLU 17 H GLU 17 -6.518 4.965 -2.836
106 HA GLU 17 HA GLU 17 -5.916 7.804 -3.070
107 HB2 GLU 17 1HB GLU 17 -4.093 5.403 -2.838
108 HB3 GLU 17 2HB GLU 17 -3.557 7.077 -2.861
109 HG2 GLU 17 1HG GLU 17 -4.330 7.504 -0.749
110 HG3 GLU 17 2HG GLU 17 -5.557 6.241 -0.825
111 H CYS 18 H CYS 18 -5.378 4.802 -4.888
112 HA CYS 18 HA CYS 18 -4.826 6.446 -7.271
113 HB2 CYS 18 1HB CYS 18 -3.459 4.611 -8.122
114 HB3 CYS 18 2HB CYS 18 -2.871 5.133 -6.547
115 H GLY 19 H GLY 19 -6.365 3.503 -6.053
116 HA2 GLY 19 1HA GLY 19 -8.623 3.004 -6.802
117 HA3 GLY 19 2HA GLY 19 -8.164 3.601 -8.390
118 H LYS 20 H LYS 20 -6.456 1.357 -6.238
119 HA LYS 20 HA LYS 20 -6.595 -0.650 -8.391
120 HB2 LYS 20 1HB LYS 20 -4.425 0.162 -6.526
121 HB3 LYS 20 2HB LYS 20 -4.530 -1.542 -6.947
122 HG2 LYS 20 1HG LYS 20 -4.109 -1.138 -9.201
123 HG3 LYS 20 2HG LYS 20 -4.518 0.574 -9.065
124 HD2 LYS 20 1HD LYS 20 -2.518 0.939 -7.698
125 HD3 LYS 20 2HD LYS 20 -2.110 -0.773 -7.840
126 HE2 LYS 20 1HE LYS 20 -0.792 0.330 -9.451
127 HE3 LYS 20 2HE LYS 20 -2.111 -0.418 -10.350
128 HZ1 LYS 20 3HZ LYS 20 -1.688 2.431 -9.721
129 HZ2 LYS 20 1HZ LYS 20 -3.241 1.853 -10.065
130 HZ3 LYS 20 2HZ LYS 20 -2.010 1.708 -11.216
131 H VAL 21 H VAL 21 -7.527 -2.554 -7.972
132 HA VAL 21 HA VAL 21 -8.513 -3.035 -5.261
133 HB VAL 21 HB VAL 21 -9.198 -4.553 -7.779
134 HG11 VAL 21 1HG1 VAL 21 -9.587 -5.531 -5.421
135 HG12 VAL 21 2HG1 VAL 21 -10.880 -4.335 -5.310
136 HG13 VAL 21 3HG1 VAL 21 -10.916 -5.558 -6.580
137 HG21 VAL 21 3HG2 VAL 21 -9.731 -1.977 -7.581
138 HG22 VAL 21 1HG2 VAL 21 -10.911 -3.109 -8.241
139 HG23 VAL 21 2HG2 VAL 21 -11.052 -2.563 -6.570
140 H PHE 22 H PHE 22 -8.035 -4.842 -4.075
141 HA PHE 22 HA PHE 22 -6.089 -6.728 -5.217
142 HB2 PHE 22 1HB PHE 22 -5.958 -5.583 -2.420
143 HB3 PHE 22 2HB PHE 22 -4.829 -6.730 -3.134
144 HD1 PHE 22 HD2 PHE 22 -6.054 -3.255 -3.274
145 HD2 PHE 22 HD1 PHE 22 -3.055 -6.007 -4.516
146 HE1 PHE 22 HE2 PHE 22 -4.683 -1.385 -4.094
147 HE2 PHE 22 HE1 PHE 22 -1.678 -4.141 -5.338
148 HZ PHE 22 HZ PHE 22 -2.492 -1.826 -5.129
149 H THR 23 H THR 23 -6.847 -8.725 -5.138
150 HA THR 23 HA THR 23 -9.197 -9.602 -4.102
151 HB THR 23 HB THR 23 -8.050 -11.097 -5.518
152 HG1 THR 23 HG1 THR 23 -7.611 -12.495 -3.129
153 HG21 THR 23 3HG2 THR 23 -5.857 -11.720 -5.379
154 HG22 THR 23 1HG2 THR 23 -5.840 -11.676 -3.617
155 HG23 THR 23 2HG2 THR 23 -5.757 -10.174 -4.537
156 H GLN 24 H GLN 24 -6.162 -9.226 -2.381
157 HA GLN 24 HA GLN 24 -7.561 -9.937 0.113
158 HB2 GLN 24 1HB GLN 24 -4.692 -10.444 -0.672
159 HB3 GLN 24 2HB GLN 24 -5.273 -10.572 0.983
160 HG2 GLN 24 1HG GLN 24 -7.014 -12.205 -0.011
161 HG3 GLN 24 2HG GLN 24 -5.902 -12.290 -1.376
162 HE21 GLN 24 1HE2 GLN 24 -4.812 -14.113 -1.245
163 HE22 GLN 24 2HE2 GLN 24 -4.073 -14.757 0.178
164 H ASN 25 H ASN 25 -7.643 -8.401 1.621
165 HA ASN 25 HA ASN 25 -6.951 -5.776 1.209
166 HB2 ASN 25 1HB ASN 25 -6.999 -5.625 3.786
167 HB3 ASN 25 2HB ASN 25 -8.457 -6.173 2.963
168 HD21 ASN 25 1HD2 ASN 25 -6.041 -6.921 5.229
169 HD22 ASN 25 2HD2 ASN 25 -6.556 -8.528 5.602
170 H SER 26 H SER 26 -5.083 -8.240 2.959
171 HA SER 26 HA SER 26 -2.993 -6.792 3.927
172 HB2 SER 26 1HB SER 26 -3.081 -9.153 4.336
173 HB3 SER 26 2HB SER 26 -2.947 -9.516 2.615
174 HG SER 26 HG SER 26 -0.909 -8.008 3.769
175 H HIS 27 H HIS 27 -3.364 -7.958 0.600
176 HA HIS 27 HA HIS 27 -0.888 -7.035 -0.365
177 HB2 HIS 27 1HB HIS 27 -3.491 -7.790 -1.635
178 HB3 HIS 27 2HB HIS 27 -2.255 -7.005 -2.614
179 HD2 HIS 27 HD2 HIS 27 -2.062 -10.089 -0.117
180 HE1 HIS 27 HE1 HIS 27 -0.003 -11.001 -3.713
181 HE2 HIS 27 HE2 HIS 27 -0.750 -11.863 -1.467
182 H LEU 28 H LEU 28 -4.009 -5.468 0.004
183 HA LEU 28 HA LEU 28 -3.282 -3.116 -1.461
184 HB2 LEU 28 1HB LEU 28 -5.584 -3.637 -1.367
185 HB3 LEU 28 2HB LEU 28 -5.551 -3.795 0.388
186 HG LEU 28 HG LEU 28 -5.160 -1.340 0.539
187 HD11 LEU 28 1HD1 LEU 28 -4.250 -1.217 -1.833
188 HD12 LEU 28 2HD1 LEU 28 -5.344 0.070 -1.327
189 HD13 LEU 28 3HD1 LEU 28 -5.933 -1.232 -2.361
190 HD21 LEU 28 3HD2 LEU 28 -7.425 -0.768 0.282
191 HD22 LEU 28 1HD2 LEU 28 -7.424 -2.496 0.636
192 HD23 LEU 28 2HD2 LEU 28 -7.660 -1.937 -1.020
193 H ALA 29 H ALA 29 -3.891 -3.701 2.007
194 HA ALA 29 HA ALA 29 -3.203 -1.303 3.078
195 HB1 ALA 29 3HB ALA 29 -2.446 -2.531 5.087
196 HB2 ALA 29 1HB ALA 29 -3.983 -3.120 4.453
197 HB3 ALA 29 2HB ALA 29 -2.499 -4.028 4.157
198 H ARG 30 H ARG 30 -0.937 -3.887 2.175
199 HA ARG 30 HA ARG 30 1.392 -2.471 2.972
200 HB2 ARG 30 1HB ARG 30 2.629 -4.206 1.830
201 HB3 ARG 30 2HB ARG 30 1.294 -4.935 2.713
202 HG2 ARG 30 1HG ARG 30 0.006 -5.075 0.632
203 HG3 ARG 30 2HG ARG 30 1.369 -4.376 -0.245
204 HD2 ARG 30 1HD ARG 30 1.493 -6.933 1.346
205 HD3 ARG 30 2HD ARG 30 1.230 -6.856 -0.395
206 HE ARG 30 HE ARG 30 3.551 -5.423 0.186
207 HH11 ARG 30 1HH1 ARG 30 2.382 -8.700 0.305
208 HH12 ARG 30 2HH1 ARG 30 3.945 -9.405 0.059
209 HH21 ARG 30 1HH2 ARG 30 5.615 -6.340 -0.139
210 HH22 ARG 30 2HH2 ARG 30 5.783 -8.062 -0.193
211 H HIS 31 H HIS 31 -0.397 -2.729 -0.044
212 HA HIS 31 HA HIS 31 1.509 -1.495 -1.717
213 HB2 HIS 31 1HB HIS 31 -0.099 -2.536 -2.977
214 HB3 HIS 31 2HB HIS 31 -1.401 -2.093 -1.877
215 HD1 HIS 31 HD1 HIS 31 0.685 -0.658 -4.675
216 HD2 HIS 31 HD2 HIS 31 -2.798 0.174 -2.568
217 HE1 HIS 31 HE1 HIS 31 -0.407 1.244 -5.906
218 H ARG 32 H ARG 32 -1.346 -0.167 -0.055
219 HA ARG 32 HA ARG 32 -1.404 2.400 -0.835
220 HB2 ARG 32 1HB ARG 32 -1.539 1.447 2.031
221 HB3 ARG 32 2HB ARG 32 -2.081 3.024 1.472
222 HG2 ARG 32 1HG ARG 32 -3.817 2.047 0.164
223 HG3 ARG 32 2HG ARG 32 -3.190 0.422 0.448
224 HD2 ARG 32 1HD ARG 32 -4.995 0.616 1.923
225 HD3 ARG 32 2HD ARG 32 -3.575 0.902 2.928
226 HE ARG 32 HE ARG 32 -5.628 2.815 2.219
227 HH11 ARG 32 1HH1 ARG 32 -2.422 2.306 3.477
228 HH12 ARG 32 2HH1 ARG 32 -2.358 3.834 4.292
229 HH21 ARG 32 1HH2 ARG 32 -5.556 4.828 3.287
230 HH22 ARG 32 2HH2 ARG 32 -4.142 5.267 4.184
231 H GLY 33 H GLY 33 1.163 0.904 0.962
232 HA2 GLY 33 1HA GLY 33 2.432 3.097 2.097
233 HA3 GLY 33 2HA GLY 33 3.257 1.654 1.529
234 H ILE 34 H ILE 34 2.802 1.799 -1.189
235 HA ILE 34 HA ILE 34 4.856 3.341 -2.131
236 HB ILE 34 HB ILE 34 3.971 3.082 -4.353
237 HG12 ILE 34 1HG1 ILE 34 1.399 1.932 -3.371
238 HG13 ILE 34 2HG1 ILE 34 1.561 3.684 -3.405
239 HG21 ILE 34 1HG2 ILE 34 4.694 0.993 -4.079
240 HG22 ILE 34 2HG2 ILE 34 4.045 0.905 -2.442
241 HG23 ILE 34 3HG2 ILE 34 3.008 0.544 -3.821
242 HD11 ILE 34 3HD1 ILE 34 2.221 3.460 -5.819
243 HD12 ILE 34 1HD1 ILE 34 1.734 1.769 -5.709
244 HD13 ILE 34 2HD1 ILE 34 0.550 3.047 -5.437
245 H HIS 35 H HIS 35 1.733 4.391 -1.173
246 HA HIS 35 HA HIS 35 1.875 6.899 -2.626
247 HB2 HIS 35 1HB HIS 35 -0.118 5.883 -0.590
248 HB3 HIS 35 2HB HIS 35 -0.264 7.405 -1.465
249 HD1 HIS 35 HD1 HIS 35 0.439 6.465 -4.297
250 HD2 HIS 35 HD2 HIS 35 -2.093 4.403 -1.729
251 HE1 HIS 35 HE1 HIS 35 -1.018 5.050 -5.781
252 H THR 36 H THR 36 2.148 5.749 0.706
253 HA THR 36 HA THR 36 2.607 8.388 1.762
254 HB THR 36 HB THR 36 3.323 6.991 3.837
255 HG1 THR 36 HG1 THR 36 3.540 5.000 2.708
256 HG21 THR 36 3HG2 THR 36 1.117 8.198 3.389
257 HG22 THR 36 1HG2 THR 36 1.085 6.886 4.566
258 HG23 THR 36 2HG2 THR 36 0.478 6.619 2.932
259 H GLY 37 H GLY 37 4.607 8.686 3.216
260 HA2 GLY 37 1HA GLY 37 6.971 7.851 1.655
261 HA3 GLY 37 2HA GLY 37 6.839 9.382 2.507
262 H GLU 38 H GLU 38 7.797 6.118 2.696
263 HA GLU 38 HA GLU 38 7.883 6.009 5.582
264 HB2 GLU 38 1HB GLU 38 7.537 4.025 3.989
265 HB3 GLU 38 2HB GLU 38 9.269 4.111 3.701
266 HG2 GLU 38 1HG GLU 38 8.807 2.444 5.366
267 HG3 GLU 38 2HG GLU 38 9.664 3.795 6.106
268 H LYS 39 H LYS 39 9.295 7.360 6.518
269 HA LYS 39 HA LYS 39 11.689 8.291 5.411
270 HB2 LYS 39 1HB LYS 39 10.763 8.079 8.275
271 HB3 LYS 39 2HB LYS 39 12.273 8.856 7.816
272 HG2 LYS 39 1HG LYS 39 10.825 10.301 6.267
273 HG3 LYS 39 2HG LYS 39 9.464 9.708 7.222
274 HD2 LYS 39 1HD LYS 39 11.891 10.976 8.470
275 HD3 LYS 39 2HD LYS 39 10.490 11.915 7.950
276 HE2 LYS 39 1HE LYS 39 9.110 10.316 9.389
277 HE3 LYS 39 2HE LYS 39 10.647 9.806 10.085
278 HZ1 LYS 39 3HZ LYS 39 10.695 12.551 10.157
279 HZ2 LYS 39 1HZ LYS 39 10.443 11.511 11.467
280 HZ3 LYS 39 2HZ LYS 39 9.121 12.143 10.623
281 HA PRO 40 HA PRO 40 14.580 5.025 5.919
282 HB2 PRO 40 1HB PRO 40 16.861 6.425 6.373
283 HB3 PRO 40 2HB PRO 40 16.082 6.345 4.788
284 HG2 PRO 40 1HG PRO 40 15.945 8.502 6.860
285 HG3 PRO 40 2HG PRO 40 16.128 8.649 5.102
286 HD2 PRO 40 1HD PRO 40 13.756 9.016 6.356
287 HD3 PRO 40 2HD PRO 40 13.876 8.346 4.716
288 H SER 41 H SER 41 14.555 3.735 7.649
289 HA SER 41 HA SER 41 14.189 4.281 10.259
290 HB2 SER 41 1HB SER 41 15.885 2.145 8.981
291 HB3 SER 41 2HB SER 41 15.662 2.217 10.729
292 HG SER 41 HG SER 41 13.286 2.464 9.536
293 H GLY 42 H GLY 42 15.504 4.572 12.117
294 HA2 GLY 42 1HA GLY 42 18.305 5.242 11.762
295 HA3 GLY 42 2HA GLY 42 17.266 6.598 12.175
296 HA PRO 43 HA PRO 43 17.548 5.652 16.440
297 HB2 PRO 43 1HB PRO 43 15.031 6.127 17.341
298 HB3 PRO 43 2HB PRO 43 16.132 7.417 16.843
299 HG2 PRO 43 1HG PRO 43 13.895 6.140 15.317
300 HG3 PRO 43 2HG PRO 43 14.332 7.855 15.438
301 HD2 PRO 43 1HD PRO 43 14.999 6.329 13.303
302 HD3 PRO 43 2HD PRO 43 16.016 7.666 13.876
303 H SER 44 H SER 44 16.998 4.157 18.099
304 HA SER 44 HA SER 44 16.159 1.602 17.099
305 HB2 SER 44 1HB SER 44 17.964 2.107 18.889
306 HB3 SER 44 2HB SER 44 16.607 2.221 20.010
307 HG SER 44 HG SER 44 17.716 0.012 18.793
308 H SER 45 H SER 45 14.411 0.343 17.852
309 HA SER 45 HA SER 45 12.447 1.289 19.650
310 HB2 SER 45 1HB SER 45 10.640 1.819 18.109
311 HB3 SER 45 2HB SER 45 12.016 2.872 17.780
312 HG SER 45 HG SER 45 11.799 0.462 16.373
313 H GLY 46 H GLY 46 10.688 -0.187 19.910
314 HA2 GLY 46 1HA GLY 46 9.507 -2.179 19.204
315 HA3 GLY 46 2HA GLY 46 10.988 -2.718 18.425
Start of MODEL 13
1 H1 GLY 1 H GLY 1 -21.209 15.177 -29.942
2 HA2 GLY 1 1HA GLY 1 -19.273 13.332 -29.827
3 HA3 GLY 1 2HA GLY 1 -18.902 14.300 -28.408
4 H SER 2 H SER 2 -20.612 11.675 -29.552
5 HA SER 2 HA SER 2 -22.589 11.794 -27.384
6 HB2 SER 2 1HB SER 2 -22.422 10.137 -29.901
7 HB3 SER 2 2HB SER 2 -23.557 9.764 -28.604
8 HG SER 2 HG SER 2 -24.541 11.733 -28.918
9 H SER 3 H SER 3 -22.093 10.800 -25.558
10 HA SER 3 HA SER 3 -21.204 8.121 -25.431
11 HB2 SER 3 1HB SER 3 -18.974 8.425 -24.505
12 HB3 SER 3 2HB SER 3 -19.055 9.180 -26.097
13 HG SER 3 HG SER 3 -18.039 10.521 -24.530
14 H GLY 4 H GLY 4 -20.615 7.510 -23.112
15 HA2 GLY 4 1HA GLY 4 -20.727 8.337 -20.768
16 HA3 GLY 4 2HA GLY 4 -22.170 9.211 -21.261
17 H SER 5 H SER 5 -21.262 6.708 -19.484
18 HA SER 5 HA SER 5 -23.849 5.446 -19.645
19 HB2 SER 5 1HB SER 5 -23.021 3.184 -20.060
20 HB3 SER 5 2HB SER 5 -22.591 4.242 -21.404
21 HG SER 5 HG SER 5 -20.549 4.485 -19.986
22 H SER 6 H SER 6 -24.399 4.349 -17.780
23 HA SER 6 HA SER 6 -23.241 5.125 -15.393
24 HB2 SER 6 1HB SER 6 -25.019 2.793 -16.089
25 HB3 SER 6 2HB SER 6 -24.487 3.086 -14.433
26 HG SER 6 HG SER 6 -26.500 4.080 -14.877
27 H GLY 7 H GLY 7 -21.764 4.262 -13.984
28 HA2 GLY 7 1HA GLY 7 -19.980 2.237 -15.133
29 HA3 GLY 7 2HA GLY 7 -19.579 3.344 -13.828
30 H THR 8 H THR 8 -19.920 0.219 -14.417
31 HA THR 8 HA THR 8 -20.866 -0.344 -11.690
32 HB THR 8 HB THR 8 -21.551 -1.988 -14.135
33 HG1 THR 8 HG1 THR 8 -22.923 -0.260 -14.098
34 HG21 THR 8 3HG2 THR 8 -21.598 -3.634 -12.584
35 HG22 THR 8 1HG2 THR 8 -23.145 -2.907 -12.154
36 HG23 THR 8 2HG2 THR 8 -21.695 -2.503 -11.235
37 H GLY 9 H GLY 9 -19.815 -1.992 -10.606
38 HA2 GLY 9 1HA GLY 9 -18.145 -3.930 -11.719
39 HA3 GLY 9 2HA GLY 9 -17.145 -2.527 -11.373
40 H LYS 10 H LYS 10 -17.717 -5.393 -10.199
41 HA LYS 10 HA LYS 10 -17.912 -4.544 -7.388
42 HB2 LYS 10 1HB LYS 10 -18.716 -7.018 -8.842
43 HB3 LYS 10 2HB LYS 10 -18.194 -7.182 -7.171
44 HG2 LYS 10 1HG LYS 10 -20.427 -6.895 -6.856
45 HG3 LYS 10 2HG LYS 10 -19.904 -5.210 -6.802
46 HD2 LYS 10 1HD LYS 10 -20.607 -4.828 -9.034
47 HD3 LYS 10 2HD LYS 10 -20.826 -6.554 -9.334
48 HE2 LYS 10 1HE LYS 10 -22.748 -6.650 -7.983
49 HE3 LYS 10 2HE LYS 10 -22.402 -5.091 -7.236
50 HZ1 LYS 10 3HZ LYS 10 -23.140 -5.484 -10.085
51 HZ2 LYS 10 1HZ LYS 10 -22.879 -4.000 -9.316
52 HZ3 LYS 10 2HZ LYS 10 -24.197 -4.963 -8.871
53 H LYS 11 H LYS 11 -16.221 -4.792 -6.062
54 HA LYS 11 HA LYS 11 -14.087 -6.658 -6.745
55 HB2 LYS 11 1HB LYS 11 -12.339 -5.053 -6.678
56 HB3 LYS 11 2HB LYS 11 -13.557 -4.405 -7.768
57 HG2 LYS 11 1HG LYS 11 -13.670 -3.616 -4.907
58 HG3 LYS 11 2HG LYS 11 -12.414 -2.912 -5.927
59 HD2 LYS 11 1HD LYS 11 -13.931 -1.809 -7.266
60 HD3 LYS 11 2HD LYS 11 -15.235 -2.942 -6.900
61 HE2 LYS 11 1HE LYS 11 -15.083 -2.004 -4.506
62 HE3 LYS 11 2HE LYS 11 -14.178 -0.680 -5.238
63 HZ1 LYS 11 3HZ LYS 11 -16.006 0.017 -6.441
64 HZ2 LYS 11 1HZ LYS 11 -16.709 -0.457 -4.977
65 HZ3 LYS 11 2HZ LYS 11 -16.800 -1.473 -6.326
66 HA PRO 12 HA PRO 12 -13.963 -7.317 -2.405
67 HB2 PRO 12 1HB PRO 12 -11.376 -8.075 -2.078
68 HB3 PRO 12 2HB PRO 12 -12.590 -9.107 -2.843
69 HG2 PRO 12 1HG PRO 12 -10.510 -7.369 -4.113
70 HG3 PRO 12 2HG PRO 12 -11.006 -9.016 -4.543
71 HD2 PRO 12 1HD PRO 12 -11.869 -6.836 -5.896
72 HD3 PRO 12 2HD PRO 12 -12.866 -8.291 -5.695
73 H TYR 13 H TYR 13 -11.071 -5.589 -3.585
74 HA TYR 13 HA TYR 13 -11.503 -3.500 -1.618
75 HB2 TYR 13 1HB TYR 13 -8.847 -4.933 -1.672
76 HB3 TYR 13 2HB TYR 13 -9.372 -3.683 -0.550
77 HD1 TYR 13 HD1 TYR 13 -11.219 -4.230 1.089
78 HD2 TYR 13 HD2 TYR 13 -9.257 -7.210 -1.228
79 HE1 TYR 13 HE1 TYR 13 -12.018 -5.958 2.646
80 HE2 TYR 13 HE2 TYR 13 -10.051 -8.947 0.322
81 HH TYR 13 HH TYR 13 -12.424 -8.779 2.213
82 H LYS 14 H LYS 14 -11.020 -1.581 -2.464
83 HA LYS 14 HA LYS 14 -9.164 -1.486 -4.751
84 HB2 LYS 14 1HB LYS 14 -11.410 -1.192 -5.589
85 HB3 LYS 14 2HB LYS 14 -11.752 0.027 -4.367
86 HG2 LYS 14 1HG LYS 14 -9.804 1.329 -5.448
87 HG3 LYS 14 2HG LYS 14 -10.043 0.234 -6.812
88 HD2 LYS 14 1HD LYS 14 -12.553 0.933 -6.541
89 HD3 LYS 14 2HD LYS 14 -11.864 2.331 -5.713
90 HE2 LYS 14 1HE LYS 14 -12.061 3.011 -7.943
91 HE3 LYS 14 2HE LYS 14 -10.362 2.578 -7.766
92 HZ1 LYS 14 3HZ LYS 14 -11.168 0.287 -8.608
93 HZ2 LYS 14 1HZ LYS 14 -10.938 1.541 -9.720
94 HZ3 LYS 14 2HZ LYS 14 -12.499 1.149 -9.198
95 H CYS 15 H CYS 15 -7.833 0.325 -4.925
96 HA CYS 15 HA CYS 15 -7.328 1.679 -2.407
97 HB2 CYS 15 1HB CYS 15 -5.532 0.668 -3.931
98 HB3 CYS 15 2HB CYS 15 -5.798 2.060 -4.976
99 H ASN 16 H ASN 16 -8.206 3.572 -1.932
100 HA ASN 16 HA ASN 16 -9.550 5.142 -3.930
101 HB2 ASN 16 1HB ASN 16 -9.092 5.570 -0.973
102 HB3 ASN 16 2HB ASN 16 -10.020 6.674 -1.984
103 HD21 ASN 16 1HD2 ASN 16 -11.718 5.464 -3.359
104 HD22 ASN 16 2HD2 ASN 16 -12.687 4.327 -2.490
105 H GLU 17 H GLU 17 -6.427 4.812 -3.494
106 HA GLU 17 HA GLU 17 -5.734 7.658 -3.532
107 HB2 GLU 17 1HB GLU 17 -4.025 5.180 -3.288
108 HB3 GLU 17 2HB GLU 17 -3.376 6.810 -3.397
109 HG2 GLU 17 1HG GLU 17 -5.315 5.989 -1.260
110 HG3 GLU 17 2HG GLU 17 -3.571 5.807 -1.085
111 H CYS 18 H CYS 18 -5.059 4.688 -5.380
112 HA CYS 18 HA CYS 18 -4.481 6.372 -7.724
113 HB2 CYS 18 1HB CYS 18 -3.378 4.260 -8.611
114 HB3 CYS 18 2HB CYS 18 -2.580 5.036 -7.247
115 H GLY 19 H GLY 19 -6.146 3.410 -6.694
116 HA2 GLY 19 1HA GLY 19 -8.474 3.194 -7.510
117 HA3 GLY 19 2HA GLY 19 -7.863 3.678 -9.085
118 H LYS 20 H LYS 20 -6.038 1.525 -7.055
119 HA LYS 20 HA LYS 20 -6.324 -0.567 -9.064
120 HB2 LYS 20 1HB LYS 20 -4.431 -0.103 -6.776
121 HB3 LYS 20 2HB LYS 20 -4.534 -1.676 -7.557
122 HG2 LYS 20 1HG LYS 20 -3.821 -0.787 -9.637
123 HG3 LYS 20 2HG LYS 20 -3.986 0.872 -9.056
124 HD2 LYS 20 1HD LYS 20 -2.107 0.691 -7.668
125 HD3 LYS 20 2HD LYS 20 -2.116 -1.072 -7.737
126 HE2 LYS 20 1HE LYS 20 -0.367 -0.542 -9.151
127 HE3 LYS 20 2HE LYS 20 -1.712 -0.714 -10.278
128 HZ1 LYS 20 3HZ LYS 20 -1.668 1.935 -9.407
129 HZ2 LYS 20 1HZ LYS 20 -1.335 1.343 -10.957
130 HZ3 LYS 20 2HZ LYS 20 -0.082 1.528 -9.835
131 H VAL 21 H VAL 21 -6.143 -2.889 -7.949
132 HA VAL 21 HA VAL 21 -7.951 -3.095 -5.668
133 HB VAL 21 HB VAL 21 -8.504 -4.596 -8.229
134 HG11 VAL 21 1HG1 VAL 21 -9.110 -5.478 -5.832
135 HG12 VAL 21 2HG1 VAL 21 -10.432 -4.317 -5.974
136 HG13 VAL 21 3HG1 VAL 21 -10.262 -5.611 -7.160
137 HG21 VAL 21 3HG2 VAL 21 -10.652 -3.113 -8.069
138 HG22 VAL 21 1HG2 VAL 21 -9.597 -2.036 -7.154
139 HG23 VAL 21 2HG2 VAL 21 -9.186 -2.473 -8.812
140 H PHE 22 H PHE 22 -7.680 -4.938 -4.456
141 HA PHE 22 HA PHE 22 -5.752 -6.927 -5.432
142 HB2 PHE 22 1HB PHE 22 -5.697 -5.845 -2.614
143 HB3 PHE 22 2HB PHE 22 -4.522 -6.908 -3.383
144 HD1 PHE 22 HD2 PHE 22 -5.955 -3.487 -3.568
145 HD2 PHE 22 HD1 PHE 22 -2.648 -6.025 -4.431
146 HE1 PHE 22 HE2 PHE 22 -4.630 -1.526 -4.240
147 HE2 PHE 22 HE1 PHE 22 -1.318 -4.068 -5.104
148 HZ PHE 22 HZ PHE 22 -2.308 -1.815 -5.011
149 H THR 23 H THR 23 -6.489 -8.930 -5.229
150 HA THR 23 HA THR 23 -8.969 -9.677 -4.393
151 HB THR 23 HB THR 23 -6.514 -11.417 -4.105
152 HG1 THR 23 HG1 THR 23 -8.213 -11.304 -6.369
153 HG21 THR 23 3HG2 THR 23 -9.139 -11.939 -3.407
154 HG22 THR 23 1HG2 THR 23 -7.888 -13.141 -3.721
155 HG23 THR 23 2HG2 THR 23 -8.986 -12.653 -5.013
156 H GLN 24 H GLN 24 -6.055 -9.457 -2.407
157 HA GLN 24 HA GLN 24 -7.712 -9.967 -0.027
158 HB2 GLN 24 1HB GLN 24 -4.744 -10.351 -0.444
159 HB3 GLN 24 2HB GLN 24 -5.554 -10.525 1.107
160 HG2 GLN 24 1HG GLN 24 -6.310 -12.133 -1.313
161 HG3 GLN 24 2HG GLN 24 -5.082 -12.651 -0.159
162 HE21 GLN 24 1HE2 GLN 24 -6.030 -14.332 0.809
163 HE22 GLN 24 2HE2 GLN 24 -7.542 -14.273 1.642
164 H ASN 25 H ASN 25 -7.394 -8.661 1.828
165 HA ASN 25 HA ASN 25 -7.057 -5.913 1.274
166 HB2 ASN 25 1HB ASN 25 -8.517 -6.665 3.070
167 HB3 ASN 25 2HB ASN 25 -7.149 -7.377 3.920
168 HD21 ASN 25 1HD2 ASN 25 -5.667 -6.036 4.952
169 HD22 ASN 25 2HD2 ASN 25 -6.024 -4.385 5.312
170 H SER 26 H SER 26 -5.040 -8.192 3.123
171 HA SER 26 HA SER 26 -3.017 -6.595 3.971
172 HB2 SER 26 1HB SER 26 -2.632 -9.321 2.709
173 HB3 SER 26 2HB SER 26 -1.530 -8.532 3.837
174 HG SER 26 HG SER 26 -2.762 -9.877 5.057
175 H HIS 27 H HIS 27 -3.328 -7.982 0.719
176 HA HIS 27 HA HIS 27 -0.932 -7.042 -0.352
177 HB2 HIS 27 1HB HIS 27 -3.568 -7.848 -1.496
178 HB3 HIS 27 2HB HIS 27 -2.422 -7.022 -2.548
179 HD2 HIS 27 HD2 HIS 27 -1.832 -10.025 -0.019
180 HE1 HIS 27 HE1 HIS 27 -0.201 -10.986 -3.816
181 HE2 HIS 27 HE2 HIS 27 -0.616 -11.791 -1.466
182 H LEU 28 H LEU 28 -4.087 -5.475 -0.082
183 HA LEU 28 HA LEU 28 -3.332 -3.143 -1.545
184 HB2 LEU 28 1HB LEU 28 -5.635 -3.655 -1.462
185 HB3 LEU 28 2HB LEU 28 -5.617 -3.790 0.295
186 HG LEU 28 HG LEU 28 -5.290 -1.358 0.461
187 HD11 LEU 28 1HD1 LEU 28 -5.097 0.053 -1.326
188 HD12 LEU 28 2HD1 LEU 28 -5.932 -1.043 -2.427
189 HD13 LEU 28 3HD1 LEU 28 -4.262 -1.366 -1.960
190 HD21 LEU 28 3HD2 LEU 28 -7.620 -2.741 -0.370
191 HD22 LEU 28 1HD2 LEU 28 -7.612 -1.167 -1.166
192 HD23 LEU 28 2HD2 LEU 28 -7.502 -1.266 0.591
193 H ALA 29 H ALA 29 -3.737 -3.836 1.921
194 HA ALA 29 HA ALA 29 -3.146 -1.370 2.984
195 HB1 ALA 29 3HB ALA 29 -2.320 -2.596 4.977
196 HB2 ALA 29 1HB ALA 29 -3.872 -3.184 4.382
197 HB3 ALA 29 2HB ALA 29 -2.397 -4.090 4.045
198 H ARG 30 H ARG 30 -0.833 -3.945 2.148
199 HA ARG 30 HA ARG 30 1.477 -2.493 2.877
200 HB2 ARG 30 1HB ARG 30 2.713 -4.190 1.619
201 HB3 ARG 30 2HB ARG 30 1.478 -4.930 2.630
202 HG2 ARG 30 1HG ARG 30 0.011 -5.089 0.640
203 HG3 ARG 30 2HG ARG 30 1.344 -4.475 -0.341
204 HD2 ARG 30 1HD ARG 30 1.092 -6.969 -0.336
205 HD3 ARG 30 2HD ARG 30 2.683 -6.379 0.141
206 HE ARG 30 HE ARG 30 0.752 -7.746 1.813
207 HH11 ARG 30 1HH1 ARG 30 3.657 -5.833 1.661
208 HH12 ARG 30 2HH1 ARG 30 4.215 -6.321 3.227
209 HH21 ARG 30 1HH2 ARG 30 1.477 -8.396 3.876
210 HH22 ARG 30 2HH2 ARG 30 2.975 -7.779 4.486
211 H HIS 31 H HIS 31 -0.393 -2.683 -0.081
212 HA HIS 31 HA HIS 31 1.484 -1.439 -1.790
213 HB2 HIS 31 1HB HIS 31 -0.145 -2.447 -3.040
214 HB3 HIS 31 2HB HIS 31 -1.421 -2.054 -1.891
215 HD1 HIS 31 HD1 HIS 31 0.592 -0.474 -4.672
216 HD2 HIS 31 HD2 HIS 31 -2.897 0.173 -2.510
217 HE1 HIS 31 HE1 HIS 31 -0.569 1.437 -5.824
218 H ARG 32 H ARG 32 -1.371 -0.127 -0.106
219 HA ARG 32 HA ARG 32 -1.389 2.457 -0.842
220 HB2 ARG 32 1HB ARG 32 -1.587 1.472 2.011
221 HB3 ARG 32 2HB ARG 32 -2.136 3.043 1.442
222 HG2 ARG 32 1HG ARG 32 -3.850 2.071 0.130
223 HG3 ARG 32 2HG ARG 32 -3.188 0.450 0.350
224 HD2 ARG 32 1HD ARG 32 -5.098 0.691 1.779
225 HD3 ARG 32 2HD ARG 32 -3.649 0.655 2.783
226 HE ARG 32 HE ARG 32 -4.540 3.304 2.081
227 HH11 ARG 32 1HH1 ARG 32 -4.802 0.680 4.354
228 HH12 ARG 32 2HH1 ARG 32 -5.350 1.687 5.653
229 HH21 ARG 32 1HH2 ARG 32 -5.261 4.640 3.784
230 HH22 ARG 32 2HH2 ARG 32 -5.612 3.940 5.327
231 H GLY 33 H GLY 33 1.132 0.895 0.955
232 HA2 GLY 33 1HA GLY 33 2.391 3.060 2.168
233 HA3 GLY 33 2HA GLY 33 3.213 1.614 1.600
234 H ILE 34 H ILE 34 2.811 1.810 -1.129
235 HA ILE 34 HA ILE 34 4.910 3.357 -1.987
236 HB ILE 34 HB ILE 34 4.108 3.100 -4.238
237 HG12 ILE 34 1HG1 ILE 34 1.501 1.946 -3.363
238 HG13 ILE 34 2HG1 ILE 34 1.664 3.698 -3.375
239 HG21 ILE 34 1HG2 ILE 34 3.036 0.559 -3.406
240 HG22 ILE 34 2HG2 ILE 34 4.570 0.927 -4.191
241 HG23 ILE 34 3HG2 ILE 34 4.441 0.999 -2.434
242 HD11 ILE 34 3HD1 ILE 34 2.670 3.002 -5.817
243 HD12 ILE 34 1HD1 ILE 34 1.377 1.826 -5.584
244 HD13 ILE 34 2HD1 ILE 34 1.025 3.552 -5.500
245 H HIS 35 H HIS 35 1.687 4.357 -1.242
246 HA HIS 35 HA HIS 35 1.846 6.862 -2.659
247 HB2 HIS 35 1HB HIS 35 -0.132 5.748 -0.669
248 HB3 HIS 35 2HB HIS 35 -0.276 7.361 -1.362
249 HD1 HIS 35 HD1 HIS 35 0.152 6.992 -4.261
250 HD2 HIS 35 HD2 HIS 35 -1.883 4.177 -1.981
251 HE1 HIS 35 HE1 HIS 35 -1.266 5.704 -5.891
252 H THR 36 H THR 36 1.716 5.953 0.787
253 HA THR 36 HA THR 36 2.505 8.600 1.613
254 HB THR 36 HB THR 36 0.974 7.357 3.029
255 HG1 THR 36 HG1 THR 36 3.367 7.361 4.517
256 HG21 THR 36 3HG2 THR 36 3.010 5.450 3.987
257 HG22 THR 36 1HG2 THR 36 2.372 5.137 2.374
258 HG23 THR 36 2HG2 THR 36 1.276 5.234 3.752
259 H GLY 37 H GLY 37 4.550 8.803 0.569
260 HA2 GLY 37 1HA GLY 37 6.707 7.573 2.125
261 HA3 GLY 37 2HA GLY 37 6.735 7.368 0.380
262 H GLU 38 H GLU 38 5.969 9.814 -0.540
263 HA GLU 38 HA GLU 38 7.900 11.691 0.643
264 HB2 GLU 38 1HB GLU 38 7.649 10.818 -2.217
265 HB3 GLU 38 2HB GLU 38 8.276 12.414 -1.828
266 HG2 GLU 38 1HG GLU 38 9.902 11.152 -0.278
267 HG3 GLU 38 2HG GLU 38 9.444 9.732 -1.216
268 H LYS 39 H LYS 39 6.572 13.184 1.490
269 HA LYS 39 HA LYS 39 4.090 13.944 0.319
270 HB2 LYS 39 1HB LYS 39 4.238 15.829 2.033
271 HB3 LYS 39 2HB LYS 39 4.227 14.186 2.660
272 HG2 LYS 39 1HG LYS 39 6.538 14.245 3.132
273 HG3 LYS 39 2HG LYS 39 6.766 15.722 2.193
274 HD2 LYS 39 1HD LYS 39 5.015 16.683 3.912
275 HD3 LYS 39 2HD LYS 39 5.603 15.353 4.913
276 HE2 LYS 39 1HE LYS 39 7.916 16.178 4.557
277 HE3 LYS 39 2HE LYS 39 7.253 17.557 3.680
278 HZ1 LYS 39 3HZ LYS 39 7.719 17.457 6.351
279 HZ2 LYS 39 1HZ LYS 39 6.052 17.183 6.257
280 HZ3 LYS 39 2HZ LYS 39 6.720 18.577 5.570
281 HA PRO 40 HA PRO 40 5.470 16.923 -2.619
282 HB2 PRO 40 1HB PRO 40 3.179 18.358 -2.860
283 HB3 PRO 40 2HB PRO 40 3.379 16.744 -3.552
284 HG2 PRO 40 1HG PRO 40 2.030 17.560 -1.007
285 HG3 PRO 40 2HG PRO 40 1.501 16.388 -2.228
286 HD2 PRO 40 1HD PRO 40 2.678 15.642 0.094
287 HD3 PRO 40 2HD PRO 40 2.880 14.729 -1.415
288 H SER 41 H SER 41 5.669 19.279 -2.917
289 HA SER 41 HA SER 41 6.833 20.572 -0.796
290 HB2 SER 41 1HB SER 41 6.743 22.590 -2.095
291 HB3 SER 41 2HB SER 41 6.940 21.249 -3.223
292 HG SER 41 HG SER 41 4.425 21.433 -3.109
293 H GLY 42 H GLY 42 6.116 22.610 0.292
294 HA2 GLY 42 1HA GLY 42 3.278 22.985 0.668
295 HA3 GLY 42 2HA GLY 42 4.083 22.254 2.049
296 HA PRO 43 HA PRO 43 5.793 26.769 1.417
297 HB2 PRO 43 1HB PRO 43 4.099 28.420 0.084
298 HB3 PRO 43 2HB PRO 43 5.374 27.498 -0.721
299 HG2 PRO 43 1HG PRO 43 2.451 26.892 -0.496
300 HG3 PRO 43 2HG PRO 43 3.519 26.744 -1.904
301 HD2 PRO 43 1HD PRO 43 2.806 24.618 -0.386
302 HD3 PRO 43 2HD PRO 43 4.383 24.729 -1.195
303 H SER 44 H SER 44 5.203 26.564 3.653
304 HA SER 44 HA SER 44 2.679 27.897 4.374
305 HB2 SER 44 1HB SER 44 2.968 26.806 6.598
306 HB3 SER 44 2HB SER 44 2.816 25.649 5.275
307 HG SER 44 HG SER 44 4.971 26.194 6.920
308 H SER 45 H SER 45 6.098 27.646 5.316
309 HA SER 45 HA SER 45 5.938 30.012 6.958
310 HB2 SER 45 1HB SER 45 8.399 29.658 7.235
311 HB3 SER 45 2HB SER 45 7.434 28.245 7.662
312 HG SER 45 HG SER 45 7.957 27.985 5.122
313 H GLY 46 H GLY 46 5.412 31.732 5.642
314 HA2 GLY 46 1HA GLY 46 5.997 33.595 4.404
315 HA3 GLY 46 2HA GLY 46 7.592 32.894 4.175
Start of MODEL 14
1 H1 GLY 1 H GLY 1 -41.402 14.355 -11.014
2 HA2 GLY 1 1HA GLY 1 -41.408 12.743 -8.707
3 HA3 GLY 1 2HA GLY 1 -41.292 12.158 -10.360
4 H SER 2 H SER 2 -39.913 10.533 -9.213
5 HA SER 2 HA SER 2 -37.156 11.172 -9.659
6 HB2 SER 2 1HB SER 2 -36.303 10.916 -7.457
7 HB3 SER 2 2HB SER 2 -37.650 12.045 -7.311
8 HG SER 2 HG SER 2 -37.775 9.254 -6.798
9 H SER 3 H SER 3 -36.194 9.412 -10.430
10 HA SER 3 HA SER 3 -36.893 6.775 -9.434
11 HB2 SER 3 1HB SER 3 -37.352 7.619 -12.299
12 HB3 SER 3 2HB SER 3 -37.223 5.931 -11.805
13 HG SER 3 HG SER 3 -39.327 6.246 -11.599
14 H GLY 4 H GLY 4 -35.240 5.325 -9.593
15 HA2 GLY 4 1HA GLY 4 -33.183 5.203 -11.405
16 HA3 GLY 4 2HA GLY 4 -32.643 6.369 -10.206
17 H SER 5 H SER 5 -32.283 5.679 -8.056
18 HA SER 5 HA SER 5 -31.509 4.254 -6.461
19 HB2 SER 5 1HB SER 5 -33.858 3.383 -6.641
20 HB3 SER 5 2HB SER 5 -33.266 2.174 -7.781
21 HG SER 5 HG SER 5 -33.405 1.687 -5.375
22 H SER 6 H SER 6 -29.894 4.585 -8.687
23 HA SER 6 HA SER 6 -28.959 1.993 -9.566
24 HB2 SER 6 1HB SER 6 -27.381 3.221 -10.928
25 HB3 SER 6 2HB SER 6 -28.960 3.993 -11.067
26 HG SER 6 HG SER 6 -27.774 5.697 -10.610
27 H GLY 7 H GLY 7 -26.739 1.287 -9.290
28 HA2 GLY 7 1HA GLY 7 -24.824 2.365 -7.636
29 HA3 GLY 7 2HA GLY 7 -25.905 1.489 -6.563
30 H THR 8 H THR 8 -23.310 1.265 -8.755
31 HA THR 8 HA THR 8 -23.178 -1.625 -8.295
32 HB THR 8 HB THR 8 -22.739 -0.376 -11.014
33 HG1 THR 8 HG1 THR 8 -24.724 -2.291 -10.471
34 HG21 THR 8 3HG2 THR 8 -22.954 -3.072 -11.374
35 HG22 THR 8 1HG2 THR 8 -22.087 -2.986 -9.841
36 HG23 THR 8 2HG2 THR 8 -21.431 -2.190 -11.272
37 H GLY 9 H GLY 9 -21.299 -2.029 -7.340
38 HA2 GLY 9 1HA GLY 9 -18.797 -1.745 -8.262
39 HA3 GLY 9 2HA GLY 9 -19.098 -0.152 -7.582
40 H LYS 10 H LYS 10 -19.450 -3.584 -6.683
41 HA LYS 10 HA LYS 10 -18.729 -2.858 -3.929
42 HB2 LYS 10 1HB LYS 10 -20.841 -4.066 -4.176
43 HB3 LYS 10 2HB LYS 10 -20.014 -5.370 -5.017
44 HG2 LYS 10 1HG LYS 10 -20.366 -6.103 -2.802
45 HG3 LYS 10 2HG LYS 10 -18.651 -5.708 -2.932
46 HD2 LYS 10 1HD LYS 10 -19.391 -4.804 -0.871
47 HD3 LYS 10 2HD LYS 10 -19.227 -3.440 -1.979
48 HE2 LYS 10 1HE LYS 10 -21.859 -4.828 -1.705
49 HE3 LYS 10 2HE LYS 10 -21.351 -3.667 -0.479
50 HZ1 LYS 10 3HZ LYS 10 -22.122 -2.095 -1.817
51 HZ2 LYS 10 1HZ LYS 10 -22.379 -3.188 -3.082
52 HZ3 LYS 10 2HZ LYS 10 -20.870 -2.447 -2.898
53 H LYS 11 H LYS 11 -16.478 -2.682 -4.373
54 HA LYS 11 HA LYS 11 -15.088 -5.110 -5.204
55 HB2 LYS 11 1HB LYS 11 -13.900 -2.420 -4.515
56 HB3 LYS 11 2HB LYS 11 -13.112 -3.742 -5.367
57 HG2 LYS 11 1HG LYS 11 -15.507 -2.246 -6.408
58 HG3 LYS 11 2HG LYS 11 -13.834 -1.876 -6.831
59 HD2 LYS 11 1HD LYS 11 -15.120 -4.569 -7.259
60 HD3 LYS 11 2HD LYS 11 -15.043 -3.308 -8.493
61 HE2 LYS 11 1HE LYS 11 -12.542 -3.313 -8.170
62 HE3 LYS 11 2HE LYS 11 -12.752 -4.760 -7.184
63 HZ1 LYS 11 3HZ LYS 11 -12.268 -5.528 -9.324
64 HZ2 LYS 11 1HZ LYS 11 -13.304 -4.419 -10.070
65 HZ3 LYS 11 2HZ LYS 11 -13.944 -5.711 -9.186
66 HA PRO 12 HA PRO 12 -13.954 -6.378 -1.155
67 HB2 PRO 12 1HB PRO 12 -11.534 -7.511 -1.638
68 HB3 PRO 12 2HB PRO 12 -13.059 -8.256 -2.131
69 HG2 PRO 12 1HG PRO 12 -11.124 -6.651 -3.755
70 HG3 PRO 12 2HG PRO 12 -11.981 -8.141 -4.188
71 HD2 PRO 12 1HD PRO 12 -12.793 -5.698 -5.026
72 HD3 PRO 12 2HD PRO 12 -13.930 -7.022 -4.698
73 H TYR 13 H TYR 13 -11.199 -4.934 -2.909
74 HA TYR 13 HA TYR 13 -10.774 -3.052 -0.749
75 HB2 TYR 13 1HB TYR 13 -8.502 -4.878 -1.535
76 HB3 TYR 13 2HB TYR 13 -8.533 -3.696 -0.231
77 HD1 TYR 13 HD1 TYR 13 -10.252 -4.114 1.666
78 HD2 TYR 13 HD2 TYR 13 -8.996 -7.106 -1.086
79 HE1 TYR 13 HE1 TYR 13 -10.986 -5.858 3.237
80 HE2 TYR 13 HE2 TYR 13 -9.728 -8.859 0.477
81 HH TYR 13 HH TYR 13 -10.645 -8.154 3.729
82 H LYS 14 H LYS 14 -10.659 -1.207 -1.834
83 HA LYS 14 HA LYS 14 -9.004 -1.114 -4.271
84 HB2 LYS 14 1HB LYS 14 -11.378 -0.840 -4.805
85 HB3 LYS 14 2HB LYS 14 -11.497 0.480 -3.650
86 HG2 LYS 14 1HG LYS 14 -9.890 1.771 -4.998
87 HG3 LYS 14 2HG LYS 14 -9.860 0.458 -6.177
88 HD2 LYS 14 1HD LYS 14 -12.223 0.758 -6.619
89 HD3 LYS 14 2HD LYS 14 -12.327 1.995 -5.365
90 HE2 LYS 14 1HE LYS 14 -10.564 3.260 -6.703
91 HE3 LYS 14 2HE LYS 14 -10.902 2.125 -8.009
92 HZ1 LYS 14 3HZ LYS 14 -12.810 3.145 -8.490
93 HZ2 LYS 14 1HZ LYS 14 -12.225 4.440 -7.571
94 HZ3 LYS 14 2HZ LYS 14 -13.263 3.305 -6.867
95 H CYS 15 H CYS 15 -7.646 0.641 -4.552
96 HA CYS 15 HA CYS 15 -6.946 2.049 -2.112
97 HB2 CYS 15 1HB CYS 15 -5.250 0.984 -3.667
98 HB3 CYS 15 2HB CYS 15 -5.609 2.273 -4.811
99 H ASN 16 H ASN 16 -7.943 3.884 -1.630
100 HA ASN 16 HA ASN 16 -9.410 5.428 -3.494
101 HB2 ASN 16 1HB ASN 16 -9.164 7.149 -1.459
102 HB3 ASN 16 2HB ASN 16 -10.260 5.772 -1.400
103 HD21 ASN 16 1HD2 ASN 16 -7.913 7.391 0.232
104 HD22 ASN 16 2HD2 ASN 16 -7.398 6.142 1.310
105 H GLU 17 H GLU 17 -6.101 5.294 -2.765
106 HA GLU 17 HA GLU 17 -5.476 8.028 -3.404
107 HB2 GLU 17 1HB GLU 17 -3.675 5.607 -3.203
108 HB3 GLU 17 2HB GLU 17 -3.133 7.275 -3.326
109 HG2 GLU 17 1HG GLU 17 -2.982 6.997 -1.082
110 HG3 GLU 17 2HG GLU 17 -4.648 7.562 -1.189
111 H CYS 18 H CYS 18 -5.037 4.898 -5.040
112 HA CYS 18 HA CYS 18 -4.671 6.364 -7.569
113 HB2 CYS 18 1HB CYS 18 -3.559 4.295 -8.392
114 HB3 CYS 18 2HB CYS 18 -2.725 5.035 -7.030
115 H GLY 19 H GLY 19 -6.217 3.532 -6.097
116 HA2 GLY 19 1HA GLY 19 -8.570 3.144 -6.623
117 HA3 GLY 19 2HA GLY 19 -8.211 3.628 -8.274
118 H LYS 20 H LYS 20 -5.817 1.698 -6.806
119 HA LYS 20 HA LYS 20 -6.362 -0.460 -8.637
120 HB2 LYS 20 1HB LYS 20 -4.061 0.518 -7.753
121 HB3 LYS 20 2HB LYS 20 -4.297 -0.686 -6.493
122 HG2 LYS 20 1HG LYS 20 -4.620 -2.362 -8.380
123 HG3 LYS 20 2HG LYS 20 -3.971 -1.113 -9.444
124 HD2 LYS 20 1HD LYS 20 -1.918 -1.041 -8.166
125 HD3 LYS 20 2HD LYS 20 -2.571 -2.189 -6.996
126 HE2 LYS 20 1HE LYS 20 -2.250 -2.820 -9.922
127 HE3 LYS 20 2HE LYS 20 -0.995 -3.141 -8.726
128 HZ1 LYS 20 3HZ LYS 20 -3.177 -4.253 -7.599
129 HZ2 LYS 20 1HZ LYS 20 -2.022 -5.096 -8.503
130 HZ3 LYS 20 2HZ LYS 20 -3.447 -4.562 -9.241
131 H VAL 21 H VAL 21 -7.076 -2.494 -8.169
132 HA VAL 21 HA VAL 21 -8.195 -2.877 -5.479
133 HB VAL 21 HB VAL 21 -8.887 -4.386 -8.001
134 HG11 VAL 21 1HG1 VAL 21 -9.311 -5.553 -5.855
135 HG12 VAL 21 2HG1 VAL 21 -10.354 -4.214 -5.372
136 HG13 VAL 21 3HG1 VAL 21 -10.781 -5.208 -6.765
137 HG21 VAL 21 3HG2 VAL 21 -10.736 -2.407 -6.770
138 HG22 VAL 21 1HG2 VAL 21 -9.410 -1.809 -7.768
139 HG23 VAL 21 2HG2 VAL 21 -10.591 -2.927 -8.449
140 H PHE 22 H PHE 22 -7.875 -4.793 -4.344
141 HA PHE 22 HA PHE 22 -5.861 -6.640 -5.425
142 HB2 PHE 22 1HB PHE 22 -5.876 -5.591 -2.589
143 HB3 PHE 22 2HB PHE 22 -4.709 -6.709 -3.286
144 HD1 PHE 22 HD2 PHE 22 -6.031 -3.255 -3.622
145 HD2 PHE 22 HD1 PHE 22 -2.773 -5.912 -4.286
146 HE1 PHE 22 HE2 PHE 22 -4.625 -1.354 -4.302
147 HE2 PHE 22 HE1 PHE 22 -1.360 -4.015 -4.966
148 HZ PHE 22 HZ PHE 22 -2.286 -1.733 -4.976
149 H THR 23 H THR 23 -6.521 -8.677 -5.354
150 HA THR 23 HA THR 23 -8.961 -9.574 -4.526
151 HB THR 23 HB THR 23 -7.963 -11.865 -4.405
152 HG1 THR 23 HG1 THR 23 -5.624 -10.325 -4.436
153 HG21 THR 23 3HG2 THR 23 -8.260 -11.868 -6.611
154 HG22 THR 23 1HG2 THR 23 -6.692 -11.095 -6.841
155 HG23 THR 23 2HG2 THR 23 -8.138 -10.109 -6.623
156 H GLN 24 H GLN 24 -6.099 -9.100 -2.578
157 HA GLN 24 HA GLN 24 -7.642 -9.922 -0.206
158 HB2 GLN 24 1HB GLN 24 -4.660 -10.185 -0.632
159 HB3 GLN 24 2HB GLN 24 -5.521 -10.596 0.845
160 HG2 GLN 24 1HG GLN 24 -6.272 -11.886 -1.741
161 HG3 GLN 24 2HG GLN 24 -4.878 -12.460 -0.827
162 HE21 GLN 24 1HE2 GLN 24 -8.065 -12.941 -1.347
163 HE22 GLN 24 2HE2 GLN 24 -8.499 -13.706 0.140
164 H ASN 25 H ASN 25 -7.260 -8.739 1.729
165 HA ASN 25 HA ASN 25 -6.971 -5.953 1.328
166 HB2 ASN 25 1HB ASN 25 -8.383 -6.552 3.104
167 HB3 ASN 25 2HB ASN 25 -7.218 -7.696 3.765
168 HD21 ASN 25 1HD2 ASN 25 -6.142 -7.054 5.479
169 HD22 ASN 25 2HD2 ASN 25 -5.878 -5.417 5.962
170 H SER 26 H SER 26 -4.914 -8.311 3.031
171 HA SER 26 HA SER 26 -2.885 -6.734 3.912
172 HB2 SER 26 1HB SER 26 -2.844 -9.094 4.359
173 HB3 SER 26 2HB SER 26 -2.703 -9.473 2.643
174 HG SER 26 HG SER 26 -0.654 -9.567 3.260
175 H HIS 27 H HIS 27 -3.357 -7.892 0.607
176 HA HIS 27 HA HIS 27 -0.939 -6.964 -0.475
177 HB2 HIS 27 1HB HIS 27 -3.644 -7.451 -1.721
178 HB3 HIS 27 2HB HIS 27 -2.234 -6.976 -2.664
179 HD2 HIS 27 HD2 HIS 27 -1.833 -9.630 0.172
180 HE1 HIS 27 HE1 HIS 27 -1.439 -11.578 -3.577
181 HE2 HIS 27 HE2 HIS 27 -1.329 -11.840 -1.074
182 H LEU 28 H LEU 28 -4.104 -5.403 -0.158
183 HA LEU 28 HA LEU 28 -3.339 -3.009 -1.494
184 HB2 LEU 28 1HB LEU 28 -5.637 -3.470 -1.444
185 HB3 LEU 28 2HB LEU 28 -5.626 -3.766 0.293
186 HG LEU 28 HG LEU 28 -5.306 -1.369 0.694
187 HD11 LEU 28 1HD1 LEU 28 -4.188 -0.442 -1.076
188 HD12 LEU 28 2HD1 LEU 28 -5.838 0.061 -1.440
189 HD13 LEU 28 3HD1 LEU 28 -5.133 -1.320 -2.278
190 HD21 LEU 28 3HD2 LEU 28 -7.559 -2.185 0.691
191 HD22 LEU 28 1HD2 LEU 28 -7.636 -2.109 -1.069
192 HD23 LEU 28 2HD2 LEU 28 -7.535 -0.622 -0.126
193 H ALA 29 H ALA 29 -3.954 -3.687 1.956
194 HA ALA 29 HA ALA 29 -3.275 -1.325 3.101
195 HB1 ALA 29 3HB ALA 29 -3.180 -4.120 3.950
196 HB2 ALA 29 1HB ALA 29 -2.080 -3.063 4.835
197 HB3 ALA 29 2HB ALA 29 -3.805 -2.699 4.786
198 H ARG 30 H ARG 30 -0.968 -3.889 2.214
199 HA ARG 30 HA ARG 30 1.333 -2.424 2.992
200 HB2 ARG 30 1HB ARG 30 2.603 -4.168 1.979
201 HB3 ARG 30 2HB ARG 30 1.192 -4.922 2.709
202 HG2 ARG 30 1HG ARG 30 0.127 -5.140 0.573
203 HG3 ARG 30 2HG ARG 30 1.409 -4.211 -0.207
204 HD2 ARG 30 1HD ARG 30 1.998 -6.745 1.287
205 HD3 ARG 30 2HD ARG 30 1.472 -6.773 -0.396
206 HE ARG 30 HE ARG 30 3.539 -5.024 -0.415
207 HH11 ARG 30 1HH1 ARG 30 3.157 -8.281 0.754
208 HH12 ARG 30 2HH1 ARG 30 4.813 -8.712 0.482
209 HH21 ARG 30 1HH2 ARG 30 5.721 -5.580 -0.779
210 HH22 ARG 30 2HH2 ARG 30 6.271 -7.174 -0.390
211 H HIS 31 H HIS 31 -0.484 -2.687 0.006
212 HA HIS 31 HA HIS 31 1.409 -1.494 -1.711
213 HB2 HIS 31 1HB HIS 31 -0.238 -2.502 -2.941
214 HB3 HIS 31 2HB HIS 31 -1.509 -2.051 -1.809
215 HD1 HIS 31 HD1 HIS 31 0.276 -0.883 -4.856
216 HD2 HIS 31 HD2 HIS 31 -2.653 0.492 -2.249
217 HE1 HIS 31 HE1 HIS 31 -0.765 1.101 -5.999
218 H ARG 32 H ARG 32 -1.402 -0.103 -0.021
219 HA ARG 32 HA ARG 32 -1.400 2.465 -0.813
220 HB2 ARG 32 1HB ARG 32 -1.538 1.580 2.075
221 HB3 ARG 32 2HB ARG 32 -2.127 3.112 1.443
222 HG2 ARG 32 1HG ARG 32 -3.866 2.067 0.247
223 HG3 ARG 32 2HG ARG 32 -3.155 0.467 0.465
224 HD2 ARG 32 1HD ARG 32 -5.003 0.658 1.965
225 HD3 ARG 32 2HD ARG 32 -3.522 0.719 2.919
226 HE ARG 32 HE ARG 32 -4.056 2.855 3.546
227 HH11 ARG 32 1HH1 ARG 32 -5.998 1.951 0.802
228 HH12 ARG 32 2HH1 ARG 32 -6.998 3.364 0.879
229 HH21 ARG 32 1HH2 ARG 32 -5.365 4.720 3.657
230 HH22 ARG 32 2HH2 ARG 32 -6.636 4.939 2.503
231 H GLY 33 H GLY 33 1.134 0.906 0.969
232 HA2 GLY 33 1HA GLY 33 2.446 3.074 2.114
233 HA3 GLY 33 2HA GLY 33 3.238 1.609 1.556
234 H ILE 34 H ILE 34 2.781 1.763 -1.168
235 HA ILE 34 HA ILE 34 4.882 3.238 -2.112
236 HB ILE 34 HB ILE 34 3.987 3.008 -4.333
237 HG12 ILE 34 1HG1 ILE 34 1.378 1.944 -3.351
238 HG13 ILE 34 2HG1 ILE 34 1.600 3.691 -3.383
239 HG21 ILE 34 1HG2 ILE 34 4.833 0.984 -3.274
240 HG22 ILE 34 2HG2 ILE 34 3.228 0.636 -2.634
241 HG23 ILE 34 3HG2 ILE 34 3.507 0.608 -4.374
242 HD11 ILE 34 3HD1 ILE 34 2.500 2.772 -5.862
243 HD12 ILE 34 1HD1 ILE 34 1.012 1.887 -5.529
244 HD13 ILE 34 2HD1 ILE 34 1.012 3.651 -5.512
245 H HIS 35 H HIS 35 1.724 4.361 -1.265
246 HA HIS 35 HA HIS 35 1.951 6.862 -2.689
247 HB2 HIS 35 1HB HIS 35 -0.042 5.811 -0.680
248 HB3 HIS 35 2HB HIS 35 -0.133 7.434 -1.356
249 HD1 HIS 35 HD1 HIS 35 -0.205 7.409 -4.130
250 HD2 HIS 35 HD2 HIS 35 -1.420 3.984 -2.116
251 HE1 HIS 35 HE1 HIS 35 -1.579 6.107 -5.786
252 H THR 36 H THR 36 1.669 6.045 0.775
253 HA THR 36 HA THR 36 2.100 8.357 2.020
254 HB THR 36 HB THR 36 3.074 7.246 3.845
255 HG1 THR 36 HG1 THR 36 3.982 5.182 2.104
256 HG21 THR 36 3HG2 THR 36 1.768 4.953 2.398
257 HG22 THR 36 1HG2 THR 36 0.846 6.321 3.021
258 HG23 THR 36 2HG2 THR 36 1.766 5.301 4.127
259 H GLY 37 H GLY 37 4.675 6.491 0.443
260 HA2 GLY 37 1HA GLY 37 6.586 8.639 0.984
261 HA3 GLY 37 2HA GLY 37 6.965 7.057 0.318
262 H GLU 38 H GLU 38 6.739 6.690 -1.897
263 HA GLU 38 HA GLU 38 7.207 8.952 -3.544
264 HB2 GLU 38 1HB GLU 38 8.109 6.645 -3.946
265 HB3 GLU 38 2HB GLU 38 6.492 6.155 -4.432
266 HG2 GLU 38 1HG GLU 38 6.759 8.221 -6.065
267 HG3 GLU 38 2HG GLU 38 8.468 7.853 -5.842
268 H LYS 39 H LYS 39 5.621 10.383 -3.877
269 HA LYS 39 HA LYS 39 3.029 9.354 -4.830
270 HB2 LYS 39 1HB LYS 39 1.974 11.351 -3.815
271 HB3 LYS 39 2HB LYS 39 2.724 10.299 -2.622
272 HG2 LYS 39 1HG LYS 39 4.669 11.795 -2.547
273 HG3 LYS 39 2HG LYS 39 3.874 12.863 -3.706
274 HD2 LYS 39 1HD LYS 39 2.014 13.159 -2.108
275 HD3 LYS 39 2HD LYS 39 2.885 12.157 -0.943
276 HE2 LYS 39 1HE LYS 39 4.655 13.750 -0.789
277 HE3 LYS 39 2HE LYS 39 4.014 14.679 -2.144
278 HZ1 LYS 39 3HZ LYS 39 2.841 14.397 0.565
279 HZ2 LYS 39 1HZ LYS 39 2.003 15.074 -0.740
280 HZ3 LYS 39 2HZ LYS 39 3.416 15.808 -0.171
281 HA PRO 40 HA PRO 40 3.731 11.710 -8.480
282 HB2 PRO 40 1HB PRO 40 1.163 12.020 -9.305
283 HB3 PRO 40 2HB PRO 40 2.030 10.484 -9.421
284 HG2 PRO 40 1HG PRO 40 0.058 11.395 -7.361
285 HG3 PRO 40 2HG PRO 40 0.193 9.818 -8.161
286 HD2 PRO 40 1HD PRO 40 1.130 10.268 -5.660
287 HD3 PRO 40 2HD PRO 40 1.898 9.120 -6.776
288 H SER 41 H SER 41 2.495 12.969 -5.694
289 HA SER 41 HA SER 41 1.132 15.230 -6.072
290 HB2 SER 41 1HB SER 41 2.345 14.420 -3.949
291 HB3 SER 41 2HB SER 41 3.710 15.382 -4.517
292 HG SER 41 HG SER 41 1.133 16.505 -4.322
293 H GLY 42 H GLY 42 1.253 17.056 -7.218
294 HA2 GLY 42 1HA GLY 42 3.838 17.691 -8.504
295 HA3 GLY 42 2HA GLY 42 2.281 17.938 -9.280
296 HA PRO 43 HA PRO 43 3.655 21.950 -7.383
297 HB2 PRO 43 1HB PRO 43 3.168 23.443 -9.597
298 HB3 PRO 43 2HB PRO 43 4.703 22.611 -9.318
299 HG2 PRO 43 1HG PRO 43 2.379 21.782 -11.013
300 HG3 PRO 43 2HG PRO 43 4.113 21.696 -11.373
301 HD2 PRO 43 1HD PRO 43 2.687 19.545 -10.556
302 HD3 PRO 43 2HD PRO 43 4.400 19.766 -10.148
303 H SER 44 H SER 44 2.226 23.110 -6.256
304 HA SER 44 HA SER 44 -0.482 22.693 -6.207
305 HB2 SER 44 1HB SER 44 1.146 25.105 -5.419
306 HB3 SER 44 2HB SER 44 -0.596 25.034 -5.156
307 HG SER 44 HG SER 44 1.441 23.464 -4.009
308 H SER 45 H SER 45 -2.296 23.972 -6.885
309 HA SER 45 HA SER 45 -2.280 24.594 -9.617
310 HB2 SER 45 1HB SER 45 -4.551 25.203 -9.358
311 HB3 SER 45 2HB SER 45 -4.276 23.968 -8.130
312 HG SER 45 HG SER 45 -4.281 25.497 -6.572
313 H GLY 46 H GLY 46 -1.926 26.419 -10.744
314 HA2 GLY 46 1HA GLY 46 -1.297 28.849 -9.185
315 HA3 GLY 46 2HA GLY 46 -0.494 28.410 -10.685
Start of MODEL 15
1 H1 GLY 1 H GLY 1 -30.706 14.190 -4.730
2 HA2 GLY 1 1HA GLY 1 -31.327 12.243 -3.686
3 HA3 GLY 1 2HA GLY 1 -32.479 12.029 -4.996
4 H SER 2 H SER 2 -29.837 10.715 -3.486
5 HA SER 2 HA SER 2 -29.365 8.922 -5.759
6 HB2 SER 2 1HB SER 2 -26.951 8.933 -5.346
7 HB3 SER 2 2HB SER 2 -27.517 10.562 -5.716
8 HG SER 2 HG SER 2 -27.399 11.074 -3.549
9 H SER 3 H SER 3 -28.254 6.892 -5.082
10 HA SER 3 HA SER 3 -29.070 6.140 -2.351
11 HB2 SER 3 1HB SER 3 -29.309 4.707 -4.966
12 HB3 SER 3 2HB SER 3 -29.091 3.757 -3.496
13 HG SER 3 HG SER 3 -30.944 5.650 -3.083
14 H GLY 4 H GLY 4 -27.568 5.307 -1.033
15 HA2 GLY 4 1HA GLY 4 -24.890 4.846 -2.167
16 HA3 GLY 4 2HA GLY 4 -25.224 5.278 -0.497
17 H SER 5 H SER 5 -26.767 2.777 -2.473
18 HA SER 5 HA SER 5 -26.091 0.824 -0.404
19 HB2 SER 5 1HB SER 5 -28.409 0.803 -0.930
20 HB3 SER 5 2HB SER 5 -28.092 0.819 -2.665
21 HG SER 5 HG SER 5 -27.832 -1.294 -0.826
22 H SER 6 H SER 6 -25.985 1.145 -3.947
23 HA SER 6 HA SER 6 -23.669 -0.665 -3.956
24 HB2 SER 6 1HB SER 6 -25.887 -0.738 -6.014
25 HB3 SER 6 2HB SER 6 -24.485 -1.804 -5.931
26 HG SER 6 HG SER 6 -25.587 -3.006 -4.625
27 H GLY 7 H GLY 7 -22.698 -0.611 -6.326
28 HA2 GLY 7 1HA GLY 7 -21.996 0.671 -8.165
29 HA3 GLY 7 2HA GLY 7 -22.862 2.051 -7.505
30 H THR 8 H THR 8 -21.733 1.957 -4.889
31 HA THR 8 HA THR 8 -19.590 3.642 -5.099
32 HB THR 8 HB THR 8 -20.726 3.308 -2.981
33 HG1 THR 8 HG1 THR 8 -18.864 3.288 -1.670
34 HG21 THR 8 3HG2 THR 8 -19.283 0.780 -2.403
35 HG22 THR 8 1HG2 THR 8 -20.695 0.683 -3.454
36 HG23 THR 8 2HG2 THR 8 -20.850 1.345 -1.827
37 H GLY 9 H GLY 9 -19.539 0.109 -4.997
38 HA2 GLY 9 1HA GLY 9 -17.372 -0.349 -6.560
39 HA3 GLY 9 2HA GLY 9 -16.654 -0.012 -4.991
40 H LYS 10 H LYS 10 -17.935 -2.384 -6.982
41 HA LYS 10 HA LYS 10 -18.892 -4.166 -4.943
42 HB2 LYS 10 1HB LYS 10 -19.130 -5.784 -6.726
43 HB3 LYS 10 2HB LYS 10 -19.730 -4.225 -7.275
44 HG2 LYS 10 1HG LYS 10 -17.624 -3.847 -8.472
45 HG3 LYS 10 2HG LYS 10 -17.052 -5.431 -7.943
46 HD2 LYS 10 1HD LYS 10 -19.623 -5.114 -9.462
47 HD3 LYS 10 2HD LYS 10 -18.070 -5.244 -10.291
48 HE2 LYS 10 1HE LYS 10 -19.022 -7.251 -8.261
49 HE3 LYS 10 2HE LYS 10 -19.357 -7.399 -9.985
50 HZ1 LYS 10 3HZ LYS 10 -16.703 -6.972 -9.955
51 HZ2 LYS 10 1HZ LYS 10 -17.428 -8.499 -10.023
52 HZ3 LYS 10 2HZ LYS 10 -16.908 -7.876 -8.539
53 H LYS 11 H LYS 11 -15.917 -3.803 -6.812
54 HA LYS 11 HA LYS 11 -14.500 -6.030 -6.369
55 HB2 LYS 11 1HB LYS 11 -13.557 -3.187 -5.987
56 HB3 LYS 11 2HB LYS 11 -12.467 -4.566 -6.029
57 HG2 LYS 11 1HG LYS 11 -14.360 -3.893 -8.265
58 HG3 LYS 11 2HG LYS 11 -12.700 -3.299 -8.179
59 HD2 LYS 11 1HD LYS 11 -11.935 -5.670 -8.050
60 HD3 LYS 11 2HD LYS 11 -13.604 -6.174 -8.326
61 HE2 LYS 11 1HE LYS 11 -12.570 -6.245 -10.438
62 HE3 LYS 11 2HE LYS 11 -13.523 -4.762 -10.434
63 HZ1 LYS 11 3HZ LYS 11 -10.619 -5.105 -10.405
64 HZ2 LYS 11 1HZ LYS 11 -11.260 -3.775 -9.579
65 HZ3 LYS 11 2HZ LYS 11 -11.564 -3.971 -11.231
66 HA PRO 12 HA PRO 12 -14.085 -6.883 -2.083
67 HB2 PRO 12 1HB PRO 12 -11.609 -7.993 -2.000
68 HB3 PRO 12 2HB PRO 12 -13.010 -8.820 -2.692
69 HG2 PRO 12 1HG PRO 12 -10.818 -7.322 -4.077
70 HG3 PRO 12 2HG PRO 12 -11.567 -8.868 -4.516
71 HD2 PRO 12 1HD PRO 12 -12.228 -6.534 -5.720
72 HD3 PRO 12 2HD PRO 12 -13.396 -7.851 -5.483
73 H TYR 13 H TYR 13 -11.049 -5.555 -3.416
74 HA TYR 13 HA TYR 13 -11.040 -3.518 -1.336
75 HB2 TYR 13 1HB TYR 13 -8.597 -5.239 -1.753
76 HB3 TYR 13 2HB TYR 13 -8.865 -4.029 -0.504
77 HD1 TYR 13 HD1 TYR 13 -10.360 -4.510 1.391
78 HD2 TYR 13 HD2 TYR 13 -9.462 -7.469 -1.531
79 HE1 TYR 13 HE1 TYR 13 -11.201 -6.255 2.908
80 HE2 TYR 13 HE2 TYR 13 -10.301 -9.222 -0.024
81 HH TYR 13 HH TYR 13 -11.437 -8.444 3.246
82 H LYS 14 H LYS 14 -10.936 -1.733 -2.528
83 HA LYS 14 HA LYS 14 -8.974 -1.634 -4.725
84 HB2 LYS 14 1HB LYS 14 -11.171 -1.473 -5.664
85 HB3 LYS 14 2HB LYS 14 -11.661 -0.285 -4.464
86 HG2 LYS 14 1HG LYS 14 -9.755 1.151 -5.479
87 HG3 LYS 14 2HG LYS 14 -9.907 0.056 -6.855
88 HD2 LYS 14 1HD LYS 14 -12.117 0.709 -7.275
89 HD3 LYS 14 2HD LYS 14 -12.302 1.429 -5.673
90 HE2 LYS 14 1HE LYS 14 -10.409 2.474 -7.772
91 HE3 LYS 14 2HE LYS 14 -12.055 3.067 -7.560
92 HZ1 LYS 14 3HZ LYS 14 -11.185 3.306 -5.086
93 HZ2 LYS 14 1HZ LYS 14 -10.979 4.529 -6.236
94 HZ3 LYS 14 2HZ LYS 14 -9.704 3.475 -5.886
95 H CYS 15 H CYS 15 -7.596 0.090 -4.840
96 HA CYS 15 HA CYS 15 -7.213 1.596 -2.421
97 HB2 CYS 15 1HB CYS 15 -5.367 0.670 -3.905
98 HB3 CYS 15 2HB CYS 15 -5.745 1.968 -5.032
99 H ASN 16 H ASN 16 -8.127 3.477 -1.964
100 HA ASN 16 HA ASN 16 -9.673 4.903 -3.905
101 HB2 ASN 16 1HB ASN 16 -10.301 4.741 -1.500
102 HB3 ASN 16 2HB ASN 16 -8.913 5.748 -1.101
103 HD21 ASN 16 1HD2 ASN 16 -12.076 5.650 -2.511
104 HD22 ASN 16 2HD2 ASN 16 -12.317 7.359 -2.594
105 H GLU 17 H GLU 17 -6.415 4.859 -3.200
106 HA GLU 17 HA GLU 17 -5.900 7.668 -3.674
107 HB2 GLU 17 1HB GLU 17 -4.034 5.306 -3.399
108 HB3 GLU 17 2HB GLU 17 -3.508 6.973 -3.584
109 HG2 GLU 17 1HG GLU 17 -3.432 6.248 -1.259
110 HG3 GLU 17 2HG GLU 17 -4.569 7.574 -1.493
111 H CYS 18 H CYS 18 -5.149 4.614 -5.353
112 HA CYS 18 HA CYS 18 -4.819 6.159 -7.838
113 HB2 CYS 18 1HB CYS 18 -3.518 4.212 -8.661
114 HB3 CYS 18 2HB CYS 18 -2.804 4.954 -7.232
115 H GLY 19 H GLY 19 -6.154 3.137 -6.528
116 HA2 GLY 19 1HA GLY 19 -8.499 2.670 -7.170
117 HA3 GLY 19 2HA GLY 19 -8.037 3.117 -8.806
118 H LYS 20 H LYS 20 -5.750 1.321 -6.975
119 HA LYS 20 HA LYS 20 -5.992 -0.904 -8.804
120 HB2 LYS 20 1HB LYS 20 -3.838 0.204 -7.720
121 HB3 LYS 20 2HB LYS 20 -4.154 -0.975 -6.454
122 HG2 LYS 20 1HG LYS 20 -4.136 -2.751 -8.202
123 HG3 LYS 20 2HG LYS 20 -3.624 -1.526 -9.364
124 HD2 LYS 20 1HD LYS 20 -1.592 -1.140 -8.178
125 HD3 LYS 20 2HD LYS 20 -2.134 -2.121 -6.813
126 HE2 LYS 20 1HE LYS 20 -0.566 -3.398 -8.109
127 HE3 LYS 20 2HE LYS 20 -2.173 -4.095 -8.317
128 HZ1 LYS 20 3HZ LYS 20 -0.700 -3.746 -10.373
129 HZ2 LYS 20 1HZ LYS 20 -1.141 -2.118 -10.245
130 HZ3 LYS 20 2HZ LYS 20 -2.330 -3.301 -10.467
131 H VAL 21 H VAL 21 -6.667 -2.951 -8.340
132 HA VAL 21 HA VAL 21 -8.016 -3.306 -5.751
133 HB VAL 21 HB VAL 21 -8.461 -4.885 -8.286
134 HG11 VAL 21 1HG1 VAL 21 -10.131 -6.005 -7.207
135 HG12 VAL 21 2HG1 VAL 21 -9.050 -5.716 -5.843
136 HG13 VAL 21 3HG1 VAL 21 -10.454 -4.678 -6.092
137 HG21 VAL 21 3HG2 VAL 21 -9.393 -2.252 -7.508
138 HG22 VAL 21 1HG2 VAL 21 -9.529 -3.086 -9.056
139 HG23 VAL 21 2HG2 VAL 21 -10.727 -3.370 -7.793
140 H PHE 22 H PHE 22 -7.649 -5.099 -4.493
141 HA PHE 22 HA PHE 22 -5.587 -6.984 -5.406
142 HB2 PHE 22 1HB PHE 22 -5.689 -5.902 -2.591
143 HB3 PHE 22 2HB PHE 22 -4.417 -6.870 -3.332
144 HD1 PHE 22 HD2 PHE 22 -6.123 -3.578 -3.634
145 HD2 PHE 22 HD1 PHE 22 -2.562 -5.830 -4.234
146 HE1 PHE 22 HE2 PHE 22 -4.932 -1.519 -4.263
147 HE2 PHE 22 HE1 PHE 22 -1.364 -3.775 -4.863
148 HZ PHE 22 HZ PHE 22 -2.549 -1.616 -4.880
149 H THR 23 H THR 23 -6.281 -9.005 -5.289
150 HA THR 23 HA THR 23 -8.719 -9.880 -4.459
151 HB THR 23 HB THR 23 -7.787 -12.148 -4.291
152 HG1 THR 23 HG1 THR 23 -5.336 -10.722 -4.263
153 HG21 THR 23 3HG2 THR 23 -7.764 -10.490 -6.523
154 HG22 THR 23 1HG2 THR 23 -7.682 -12.251 -6.521
155 HG23 THR 23 2HG2 THR 23 -6.198 -11.299 -6.561
156 H GLN 24 H GLN 24 -5.832 -9.491 -2.479
157 HA GLN 24 HA GLN 24 -7.439 -10.173 -0.105
158 HB2 GLN 24 1HB GLN 24 -4.442 -10.340 -0.470
159 HB3 GLN 24 2HB GLN 24 -5.308 -10.712 1.015
160 HG2 GLN 24 1HG GLN 24 -5.506 -12.178 -1.605
161 HG3 GLN 24 2HG GLN 24 -4.738 -12.748 -0.124
162 HE21 GLN 24 1HE2 GLN 24 -6.821 -14.039 -1.592
163 HE22 GLN 24 2HE2 GLN 24 -8.188 -14.159 -0.543
164 H ASN 25 H ASN 25 -7.471 -8.785 1.621
165 HA ASN 25 HA ASN 25 -7.130 -6.052 1.146
166 HB2 ASN 25 1HB ASN 25 -7.716 -5.712 3.427
167 HB3 ASN 25 2HB ASN 25 -8.600 -7.143 2.904
168 HD21 ASN 25 1HD2 ASN 25 -7.927 -9.184 3.629
169 HD22 ASN 25 2HD2 ASN 25 -6.943 -9.358 5.038
170 H SER 26 H SER 26 -5.090 -8.331 2.950
171 HA SER 26 HA SER 26 -3.188 -6.643 3.968
172 HB2 SER 26 1HB SER 26 -2.740 -9.379 2.749
173 HB3 SER 26 2HB SER 26 -1.602 -8.545 3.807
174 HG SER 26 HG SER 26 -4.271 -9.141 4.550
175 H HIS 27 H HIS 27 -3.370 -7.945 0.682
176 HA HIS 27 HA HIS 27 -0.934 -6.994 -0.287
177 HB2 HIS 27 1HB HIS 27 -3.540 -7.742 -1.532
178 HB3 HIS 27 2HB HIS 27 -2.362 -6.887 -2.523
179 HD2 HIS 27 HD2 HIS 27 -1.348 -9.717 0.013
180 HE1 HIS 27 HE1 HIS 27 -0.500 -11.011 -3.938
181 HE2 HIS 27 HE2 HIS 27 -0.372 -11.584 -1.488
182 H LEU 28 H LEU 28 -4.108 -5.423 -0.165
183 HA LEU 28 HA LEU 28 -3.333 -3.065 -1.518
184 HB2 LEU 28 1HB LEU 28 -5.634 -3.509 -1.405
185 HB3 LEU 28 2HB LEU 28 -5.587 -3.743 0.341
186 HG LEU 28 HG LEU 28 -5.267 -1.348 0.667
187 HD11 LEU 28 1HD1 LEU 28 -5.537 -1.109 -2.325
188 HD12 LEU 28 2HD1 LEU 28 -4.032 -0.922 -1.425
189 HD13 LEU 28 3HD1 LEU 28 -5.359 0.211 -1.169
190 HD21 LEU 28 3HD2 LEU 28 -7.501 -0.727 -0.725
191 HD22 LEU 28 1HD2 LEU 28 -7.498 -1.605 0.804
192 HD23 LEU 28 2HD2 LEU 28 -7.597 -2.489 -0.719
193 H ALA 29 H ALA 29 -3.778 -3.722 1.957
194 HA ALA 29 HA ALA 29 -3.082 -1.304 3.024
195 HB1 ALA 29 3HB ALA 29 -2.168 -2.627 4.972
196 HB2 ALA 29 1HB ALA 29 -3.818 -3.011 4.483
197 HB3 ALA 29 2HB ALA 29 -2.491 -4.078 4.024
198 H ARG 30 H ARG 30 -0.822 -3.943 2.224
199 HA ARG 30 HA ARG 30 1.518 -2.526 2.903
200 HB2 ARG 30 1HB ARG 30 2.714 -4.265 1.683
201 HB3 ARG 30 2HB ARG 30 1.446 -4.972 2.674
202 HG2 ARG 30 1HG ARG 30 0.109 -5.463 0.824
203 HG3 ARG 30 2HG ARG 30 1.002 -4.358 -0.224
204 HD2 ARG 30 1HD ARG 30 2.294 -6.767 1.020
205 HD3 ARG 30 2HD ARG 30 1.421 -6.864 -0.508
206 HE ARG 30 HE ARG 30 3.169 -4.815 -0.881
207 HH11 ARG 30 1HH1 ARG 30 3.488 -8.134 0.122
208 HH12 ARG 30 2HH1 ARG 30 5.078 -8.317 -0.541
209 HH21 ARG 30 1HH2 ARG 30 5.262 -5.044 -1.758
210 HH22 ARG 30 2HH2 ARG 30 6.086 -6.559 -1.610
211 H HIS 31 H HIS 31 -0.439 -2.608 0.020
212 HA HIS 31 HA HIS 31 1.474 -1.451 -1.738
213 HB2 HIS 31 1HB HIS 31 -0.184 -2.442 -2.967
214 HB3 HIS 31 2HB HIS 31 -1.443 -2.016 -1.812
215 HD1 HIS 31 HD1 HIS 31 0.428 -0.667 -4.766
216 HD2 HIS 31 HD2 HIS 31 -2.732 0.406 -2.291
217 HE1 HIS 31 HE1 HIS 31 -0.667 1.300 -5.887
218 H ARG 32 H ARG 32 -1.313 -0.091 0.015
219 HA ARG 32 HA ARG 32 -1.322 2.490 -0.747
220 HB2 ARG 32 1HB ARG 32 -1.457 1.527 2.116
221 HB3 ARG 32 2HB ARG 32 -2.000 3.101 1.551
222 HG2 ARG 32 1HG ARG 32 -3.683 2.033 0.152
223 HG3 ARG 32 2HG ARG 32 -3.127 0.446 0.686
224 HD2 ARG 32 1HD ARG 32 -4.914 0.790 2.092
225 HD3 ARG 32 2HD ARG 32 -3.584 1.409 3.069
226 HE ARG 32 HE ARG 32 -4.888 3.400 1.447
227 HH11 ARG 32 1HH1 ARG 32 -4.865 1.735 4.504
228 HH12 ARG 32 2HH1 ARG 32 -5.712 2.992 5.343
229 HH21 ARG 32 1HH2 ARG 32 -6.004 5.062 2.540
230 HH22 ARG 32 2HH2 ARG 32 -6.360 4.884 4.225
231 H GLY 33 H GLY 33 1.235 0.902 0.964
232 HA2 GLY 33 1HA GLY 33 2.556 3.042 2.152
233 HA3 GLY 33 2HA GLY 33 3.345 1.597 1.538
234 H ILE 34 H ILE 34 2.814 1.848 -1.179
235 HA ILE 34 HA ILE 34 4.901 3.440 -2.061
236 HB ILE 34 HB ILE 34 4.085 3.127 -4.303
237 HG12 ILE 34 1HG1 ILE 34 1.549 1.854 -3.387
238 HG13 ILE 34 2HG1 ILE 34 1.624 3.613 -3.411
239 HG21 ILE 34 1HG2 ILE 34 5.083 1.180 -3.372
240 HG22 ILE 34 2HG2 ILE 34 3.604 0.758 -2.511
241 HG23 ILE 34 3HG2 ILE 34 3.660 0.654 -4.270
242 HD11 ILE 34 3HD1 ILE 34 1.092 3.530 -5.553
243 HD12 ILE 34 1HD1 ILE 34 2.661 2.789 -5.867
244 HD13 ILE 34 2HD1 ILE 34 1.248 1.774 -5.575
245 H HIS 35 H HIS 35 1.662 4.323 -1.267
246 HA HIS 35 HA HIS 35 1.707 6.816 -2.723
247 HB2 HIS 35 1HB HIS 35 -0.221 5.624 -0.730
248 HB3 HIS 35 2HB HIS 35 -0.429 7.237 -1.407
249 HD1 HIS 35 HD1 HIS 35 -0.037 6.943 -4.303
250 HD2 HIS 35 HD2 HIS 35 -1.874 3.967 -2.059
251 HE1 HIS 35 HE1 HIS 35 -1.400 5.609 -5.942
252 H THR 36 H THR 36 1.575 5.952 0.736
253 HA THR 36 HA THR 36 2.680 8.600 1.369
254 HB THR 36 HB THR 36 0.587 8.080 2.513
255 HG1 THR 36 HG1 THR 36 2.639 7.864 4.456
256 HG21 THR 36 3HG2 THR 36 0.360 6.253 4.047
257 HG22 THR 36 1HG2 THR 36 2.051 5.800 3.840
258 HG23 THR 36 2HG2 THR 36 0.914 5.596 2.507
259 H GLY 37 H GLY 37 4.659 8.825 2.238
260 HA2 GLY 37 1HA GLY 37 5.984 6.990 3.872
261 HA3 GLY 37 2HA GLY 37 6.486 6.671 2.218
262 H GLU 38 H GLU 38 7.073 8.794 0.994
263 HA GLU 38 HA GLU 38 8.943 10.247 2.731
264 HB2 GLU 38 1HB GLU 38 10.050 9.105 0.929
265 HB3 GLU 38 2HB GLU 38 8.931 9.774 -0.251
266 HG2 GLU 38 1HG GLU 38 10.751 11.111 -0.575
267 HG3 GLU 38 2HG GLU 38 9.851 12.062 0.605
268 H LYS 39 H LYS 39 8.786 12.388 3.028
269 HA LYS 39 HA LYS 39 6.431 13.764 2.292
270 HB2 LYS 39 1HB LYS 39 9.047 14.700 3.466
271 HB3 LYS 39 2HB LYS 39 7.695 15.786 3.177
272 HG2 LYS 39 1HG LYS 39 7.472 15.216 5.413
273 HG3 LYS 39 2HG LYS 39 6.331 14.142 4.601
274 HD2 LYS 39 1HD LYS 39 7.596 12.276 4.994
275 HD3 LYS 39 2HD LYS 39 9.114 13.177 5.010
276 HE2 LYS 39 1HE LYS 39 7.020 13.320 7.175
277 HE3 LYS 39 2HE LYS 39 8.441 12.278 7.233
278 HZ1 LYS 39 3HZ LYS 39 9.199 14.937 6.634
279 HZ2 LYS 39 1HZ LYS 39 9.661 13.967 7.941
280 HZ3 LYS 39 2HZ LYS 39 8.264 14.914 8.044
281 HA PRO 40 HA PRO 40 7.456 15.240 -1.731
282 HB2 PRO 40 1HB PRO 40 5.733 17.335 -1.852
283 HB3 PRO 40 2HB PRO 40 5.210 15.652 -1.984
284 HG2 PRO 40 1HG PRO 40 5.143 17.476 0.389
285 HG3 PRO 40 2HG PRO 40 3.907 16.342 -0.185
286 HD2 PRO 40 1HD PRO 40 5.571 15.764 1.871
287 HD3 PRO 40 2HD PRO 40 4.957 14.521 0.761
288 H SER 41 H SER 41 7.922 17.043 1.137
289 HA SER 41 HA SER 41 8.694 19.543 0.301
290 HB2 SER 41 1HB SER 41 9.751 17.780 2.504
291 HB3 SER 41 2HB SER 41 10.373 19.410 2.249
292 HG SER 41 HG SER 41 8.060 18.616 3.409
293 H GLY 42 H GLY 42 10.742 16.635 0.489
294 HA2 GLY 42 1HA GLY 42 13.096 17.825 -0.478
295 HA3 GLY 42 2HA GLY 42 12.723 16.109 -0.544
296 HA PRO 43 HA PRO 43 13.004 17.672 -4.891
297 HB2 PRO 43 1HB PRO 43 14.483 15.581 -5.790
298 HB3 PRO 43 2HB PRO 43 15.200 17.016 -5.049
299 HG2 PRO 43 1HG PRO 43 14.627 14.343 -3.831
300 HG3 PRO 43 2HG PRO 43 16.063 15.367 -3.655
301 HD2 PRO 43 1HD PRO 43 14.117 15.252 -1.776
302 HD3 PRO 43 2HD PRO 43 15.057 16.725 -2.088
303 H SER 44 H SER 44 11.051 17.320 -5.771
304 HA SER 44 HA SER 44 9.572 14.930 -5.526
305 HB2 SER 44 1HB SER 44 8.601 17.192 -6.002
306 HB3 SER 44 2HB SER 44 9.236 17.067 -7.642
307 HG SER 44 HG SER 44 7.471 16.030 -8.073
308 H SER 45 H SER 45 10.032 13.045 -6.427
309 HA SER 45 HA SER 45 11.745 12.861 -8.740
310 HB2 SER 45 1HB SER 45 10.484 10.889 -6.866
311 HB3 SER 45 2HB SER 45 11.136 10.330 -8.407
312 HG SER 45 HG SER 45 12.806 10.207 -6.996
313 H GLY 46 H GLY 46 10.831 13.423 -10.629
314 HA2 GLY 46 1HA GLY 46 8.322 12.047 -11.361
315 HA3 GLY 46 2HA GLY 46 8.588 13.740 -11.753
Start of MODEL 16
1 H1 GLY 1 H GLY 1 -25.310 20.434 -3.955
2 HA2 GLY 1 1HA GLY 1 -24.867 18.095 -4.046
3 HA3 GLY 1 2HA GLY 1 -26.591 17.806 -4.223
4 H SER 2 H SER 2 -24.841 16.522 -5.873
5 HA SER 2 HA SER 2 -25.694 17.496 -8.453
6 HB2 SER 2 1HB SER 2 -23.344 17.424 -9.383
7 HB3 SER 2 2HB SER 2 -23.674 18.778 -8.302
8 HG SER 2 HG SER 2 -22.273 16.386 -7.708
9 H SER 3 H SER 3 -26.007 15.860 -9.858
10 HA SER 3 HA SER 3 -25.985 13.205 -8.970
11 HB2 SER 3 1HB SER 3 -27.324 14.305 -10.902
12 HB3 SER 3 2HB SER 3 -25.917 13.918 -11.892
13 HG SER 3 HG SER 3 -26.209 11.707 -11.019
14 H GLY 4 H GLY 4 -23.756 14.933 -11.130
15 HA2 GLY 4 1HA GLY 4 -21.667 14.378 -11.913
16 HA3 GLY 4 2HA GLY 4 -21.437 13.692 -10.311
17 H SER 5 H SER 5 -20.209 11.957 -10.977
18 HA SER 5 HA SER 5 -21.297 10.146 -12.983
19 HB2 SER 5 1HB SER 5 -18.690 10.095 -11.445
20 HB3 SER 5 2HB SER 5 -19.146 8.924 -12.682
21 HG SER 5 HG SER 5 -18.707 10.339 -14.184
22 H SER 6 H SER 6 -21.584 7.886 -12.574
23 HA SER 6 HA SER 6 -23.202 7.221 -10.487
24 HB2 SER 6 1HB SER 6 -21.250 5.322 -11.810
25 HB3 SER 6 2HB SER 6 -22.744 4.881 -10.983
26 HG SER 6 HG SER 6 -23.267 6.721 -12.858
27 H GLY 7 H GLY 7 -22.752 5.556 -8.731
28 HA2 GLY 7 1HA GLY 7 -20.111 5.937 -7.500
29 HA3 GLY 7 2HA GLY 7 -21.545 6.369 -6.580
30 H THR 8 H THR 8 -20.412 3.618 -8.551
31 HA THR 8 HA THR 8 -21.422 1.833 -6.433
32 HB THR 8 HB THR 8 -21.562 0.083 -8.232
33 HG1 THR 8 HG1 THR 8 -20.398 0.783 -9.919
34 HG21 THR 8 3HG2 THR 8 -23.301 2.310 -7.736
35 HG22 THR 8 1HG2 THR 8 -23.717 0.643 -8.133
36 HG23 THR 8 2HG2 THR 8 -23.438 1.813 -9.422
37 H GLY 9 H GLY 9 -20.273 -0.355 -6.453
38 HA2 GLY 9 1HA GLY 9 -17.652 -0.612 -7.456
39 HA3 GLY 9 2HA GLY 9 -17.572 0.017 -5.817
40 H LYS 10 H LYS 10 -17.746 -2.750 -7.707
41 HA LYS 10 HA LYS 10 -18.590 -4.382 -5.405
42 HB2 LYS 10 1HB LYS 10 -18.915 -4.717 -8.352
43 HB3 LYS 10 2HB LYS 10 -18.755 -6.162 -7.362
44 HG2 LYS 10 1HG LYS 10 -21.031 -5.903 -7.428
45 HG3 LYS 10 2HG LYS 10 -20.631 -5.053 -5.933
46 HD2 LYS 10 1HD LYS 10 -20.694 -2.923 -7.103
47 HD3 LYS 10 2HD LYS 10 -21.016 -3.750 -8.629
48 HE2 LYS 10 1HE LYS 10 -23.097 -2.927 -7.824
49 HE3 LYS 10 2HE LYS 10 -23.099 -4.673 -7.577
50 HZ1 LYS 10 3HZ LYS 10 -22.416 -4.239 -5.251
51 HZ2 LYS 10 1HZ LYS 10 -23.948 -3.628 -5.627
52 HZ3 LYS 10 2HZ LYS 10 -22.623 -2.582 -5.525
53 H LYS 11 H LYS 11 -16.272 -3.894 -4.751
54 HA LYS 11 HA LYS 11 -14.575 -6.075 -5.740
55 HB2 LYS 11 1HB LYS 11 -13.764 -3.193 -5.369
56 HB3 LYS 11 2HB LYS 11 -12.597 -4.506 -5.448
57 HG2 LYS 11 1HG LYS 11 -12.589 -3.876 -7.626
58 HG3 LYS 11 2HG LYS 11 -13.906 -5.049 -7.681
59 HD2 LYS 11 1HD LYS 11 -15.547 -3.305 -7.555
60 HD3 LYS 11 2HD LYS 11 -14.302 -2.089 -7.262
61 HE2 LYS 11 1HE LYS 11 -14.300 -3.756 -9.755
62 HE3 LYS 11 2HE LYS 11 -15.282 -2.297 -9.633
63 HZ1 LYS 11 3HZ LYS 11 -13.272 -1.039 -9.141
64 HZ2 LYS 11 1HZ LYS 11 -13.146 -1.823 -10.635
65 HZ3 LYS 11 2HZ LYS 11 -12.336 -2.441 -9.285
66 HA PRO 12 HA PRO 12 -13.870 -7.000 -1.507
67 HB2 PRO 12 1HB PRO 12 -11.337 -7.974 -1.587
68 HB3 PRO 12 2HB PRO 12 -12.728 -8.860 -2.224
69 HG2 PRO 12 1HG PRO 12 -10.700 -7.213 -3.685
70 HG3 PRO 12 2HG PRO 12 -11.388 -8.788 -4.123
71 HD2 PRO 12 1HD PRO 12 -12.239 -6.467 -5.229
72 HD3 PRO 12 2HD PRO 12 -13.319 -7.850 -4.963
73 H TYR 13 H TYR 13 -10.987 -5.478 -2.967
74 HA TYR 13 HA TYR 13 -10.981 -3.471 -0.865
75 HB2 TYR 13 1HB TYR 13 -8.515 -5.145 -1.364
76 HB3 TYR 13 2HB TYR 13 -8.720 -3.885 -0.152
77 HD1 TYR 13 HD1 TYR 13 -10.346 -4.285 1.743
78 HD2 TYR 13 HD2 TYR 13 -9.106 -7.378 -0.902
79 HE1 TYR 13 HE1 TYR 13 -11.087 -5.970 3.375
80 HE2 TYR 13 HE2 TYR 13 -9.845 -9.071 0.721
81 HH TYR 13 HH TYR 13 -11.444 -8.144 3.744
82 H LYS 14 H LYS 14 -10.911 -1.646 -1.985
83 HA LYS 14 HA LYS 14 -9.118 -1.494 -4.319
84 HB2 LYS 14 1HB LYS 14 -11.463 -1.269 -4.953
85 HB3 LYS 14 2HB LYS 14 -11.678 0.022 -3.779
86 HG2 LYS 14 1HG LYS 14 -9.766 1.176 -5.135
87 HG3 LYS 14 2HG LYS 14 -10.273 0.061 -6.406
88 HD2 LYS 14 1HD LYS 14 -12.480 0.946 -6.416
89 HD3 LYS 14 2HD LYS 14 -12.188 1.863 -4.937
90 HE2 LYS 14 1HE LYS 14 -10.356 3.058 -6.278
91 HE3 LYS 14 2HE LYS 14 -11.130 2.363 -7.701
92 HZ1 LYS 14 3HZ LYS 14 -13.193 3.454 -7.060
93 HZ2 LYS 14 1HZ LYS 14 -11.950 4.585 -7.258
94 HZ3 LYS 14 2HZ LYS 14 -12.440 4.129 -5.704
95 H CYS 15 H CYS 15 -7.723 0.216 -4.499
96 HA CYS 15 HA CYS 15 -7.174 1.668 -2.054
97 HB2 CYS 15 1HB CYS 15 -5.407 0.607 -3.554
98 HB3 CYS 15 2HB CYS 15 -5.710 1.927 -4.679
99 H ASN 16 H ASN 16 -8.110 3.543 -1.620
100 HA ASN 16 HA ASN 16 -9.474 5.066 -3.626
101 HB2 ASN 16 1HB ASN 16 -8.993 5.417 -0.679
102 HB3 ASN 16 2HB ASN 16 -9.708 6.713 -1.633
103 HD21 ASN 16 1HD2 ASN 16 -11.822 6.672 -1.984
104 HD22 ASN 16 2HD2 ASN 16 -12.868 5.338 -1.650
105 H GLU 17 H GLU 17 -6.307 4.769 -3.109
106 HA GLU 17 HA GLU 17 -5.606 7.592 -3.288
107 HB2 GLU 17 1HB GLU 17 -3.841 5.138 -3.231
108 HB3 GLU 17 2HB GLU 17 -3.279 6.803 -3.170
109 HG2 GLU 17 1HG GLU 17 -4.886 6.908 -1.086
110 HG3 GLU 17 2HG GLU 17 -4.608 5.168 -1.079
111 H CYS 18 H CYS 18 -5.049 4.614 -5.164
112 HA CYS 18 HA CYS 18 -4.581 6.293 -7.537
113 HB2 CYS 18 1HB CYS 18 -3.490 4.231 -8.482
114 HB3 CYS 18 2HB CYS 18 -2.665 4.930 -7.093
115 H GLY 19 H GLY 19 -6.174 3.312 -6.440
116 HA2 GLY 19 1HA GLY 19 -8.547 3.097 -7.128
117 HA3 GLY 19 2HA GLY 19 -8.022 3.592 -8.731
118 H LYS 20 H LYS 20 -6.110 1.423 -6.786
119 HA LYS 20 HA LYS 20 -6.485 -0.655 -8.798
120 HB2 LYS 20 1HB LYS 20 -4.475 -0.192 -6.613
121 HB3 LYS 20 2HB LYS 20 -4.618 -1.767 -7.383
122 HG2 LYS 20 1HG LYS 20 -3.816 -1.011 -9.396
123 HG3 LYS 20 2HG LYS 20 -4.307 0.657 -9.087
124 HD2 LYS 20 1HD LYS 20 -2.530 0.419 -7.131
125 HD3 LYS 20 2HD LYS 20 -1.870 -0.807 -8.216
126 HE2 LYS 20 1HE LYS 20 -2.568 1.933 -9.213
127 HE3 LYS 20 2HE LYS 20 -1.023 1.621 -8.422
128 HZ1 LYS 20 3HZ LYS 20 -0.551 1.292 -10.642
129 HZ2 LYS 20 1HZ LYS 20 -2.040 0.561 -10.976
130 HZ3 LYS 20 2HZ LYS 20 -0.855 -0.287 -10.117
131 H VAL 21 H VAL 21 -6.401 -2.977 -7.852
132 HA VAL 21 HA VAL 21 -8.046 -3.201 -5.435
133 HB VAL 21 HB VAL 21 -8.700 -4.697 -7.973
134 HG11 VAL 21 1HG1 VAL 21 -10.475 -5.650 -6.840
135 HG12 VAL 21 2HG1 VAL 21 -9.224 -5.612 -5.596
136 HG13 VAL 21 3HG1 VAL 21 -10.497 -4.391 -5.605
137 HG21 VAL 21 3HG2 VAL 21 -10.392 -3.202 -8.459
138 HG22 VAL 21 1HG2 VAL 21 -10.448 -2.570 -6.813
139 HG23 VAL 21 2HG2 VAL 21 -9.118 -2.127 -7.883
140 H PHE 22 H PHE 22 -7.695 -5.026 -4.231
141 HA PHE 22 HA PHE 22 -5.839 -7.033 -5.304
142 HB2 PHE 22 1HB PHE 22 -5.607 -5.884 -2.519
143 HB3 PHE 22 2HB PHE 22 -4.510 -7.017 -3.300
144 HD1 PHE 22 HD2 PHE 22 -5.774 -3.542 -3.421
145 HD2 PHE 22 HD1 PHE 22 -2.721 -6.260 -4.607
146 HE1 PHE 22 HE2 PHE 22 -4.419 -1.658 -4.237
147 HE2 PHE 22 HE1 PHE 22 -1.360 -4.380 -5.425
148 HZ PHE 22 HZ PHE 22 -2.209 -2.075 -5.242
149 H THR 23 H THR 23 -6.747 -8.964 -5.172
150 HA THR 23 HA THR 23 -9.113 -9.702 -4.143
151 HB THR 23 HB THR 23 -6.601 -11.382 -4.146
152 HG1 THR 23 HG1 THR 23 -7.824 -10.431 -6.141
153 HG21 THR 23 3HG2 THR 23 -8.788 -13.064 -4.424
154 HG22 THR 23 1HG2 THR 23 -9.262 -11.957 -3.136
155 HG23 THR 23 2HG2 THR 23 -7.775 -12.894 -2.991
156 H GLN 24 H GLN 24 -6.083 -9.574 -2.316
157 HA GLN 24 HA GLN 24 -7.632 -9.991 0.154
158 HB2 GLN 24 1HB GLN 24 -4.724 -10.541 -0.445
159 HB3 GLN 24 2HB GLN 24 -5.419 -10.620 1.168
160 HG2 GLN 24 1HG GLN 24 -6.651 -12.510 0.693
161 HG3 GLN 24 2HG GLN 24 -6.617 -12.220 -1.046
162 HE21 GLN 24 1HE2 GLN 24 -4.314 -12.727 1.610
163 HE22 GLN 24 2HE2 GLN 24 -3.305 -13.834 0.749
164 H ASN 25 H ASN 25 -7.610 -8.466 1.710
165 HA ASN 25 HA ASN 25 -6.971 -5.834 1.161
166 HB2 ASN 25 1HB ASN 25 -8.437 -6.783 3.040
167 HB3 ASN 25 2HB ASN 25 -6.945 -6.953 3.960
168 HD21 ASN 25 1HD2 ASN 25 -5.650 -4.988 4.242
169 HD22 ASN 25 2HD2 ASN 25 -6.474 -3.479 4.419
170 H SER 26 H SER 26 -5.096 -8.175 3.076
171 HA SER 26 HA SER 26 -3.009 -6.705 3.955
172 HB2 SER 26 1HB SER 26 -3.396 -9.269 4.053
173 HB3 SER 26 2HB SER 26 -2.436 -9.315 2.574
174 HG SER 26 HG SER 26 -1.676 -8.571 5.173
175 H HIS 27 H HIS 27 -3.394 -7.935 0.655
176 HA HIS 27 HA HIS 27 -0.926 -7.028 -0.345
177 HB2 HIS 27 1HB HIS 27 -3.529 -7.845 -1.560
178 HB3 HIS 27 2HB HIS 27 -2.352 -7.020 -2.578
179 HD2 HIS 27 HD2 HIS 27 -1.085 -9.613 0.045
180 HE1 HIS 27 HE1 HIS 27 -0.651 -11.288 -3.829
181 HE2 HIS 27 HE2 HIS 27 -0.227 -11.604 -1.366
182 H LEU 28 H LEU 28 -4.047 -5.458 0.017
183 HA LEU 28 HA LEU 28 -3.325 -3.129 -1.489
184 HB2 LEU 28 1HB LEU 28 -5.622 -3.617 -1.404
185 HB3 LEU 28 2HB LEU 28 -5.598 -3.812 0.348
186 HG LEU 28 HG LEU 28 -5.229 -1.369 0.567
187 HD11 LEU 28 1HD1 LEU 28 -5.423 0.092 -1.287
188 HD12 LEU 28 2HD1 LEU 28 -5.867 -1.227 -2.369
189 HD13 LEU 28 3HD1 LEU 28 -4.227 -1.127 -1.728
190 HD21 LEU 28 3HD2 LEU 28 -7.489 -0.771 0.221
191 HD22 LEU 28 1HD2 LEU 28 -7.493 -2.495 0.595
192 HD23 LEU 28 2HD2 LEU 28 -7.682 -1.954 -1.073
193 H ALA 29 H ALA 29 -3.740 -3.806 1.982
194 HA ALA 29 HA ALA 29 -3.127 -1.347 3.038
195 HB1 ALA 29 3HB ALA 29 -2.893 -4.130 3.990
196 HB2 ALA 29 1HB ALA 29 -1.955 -2.922 4.870
197 HB3 ALA 29 2HB ALA 29 -3.703 -2.742 4.717
198 H ARG 30 H ARG 30 -0.829 -3.932 2.193
199 HA ARG 30 HA ARG 30 1.487 -2.480 2.915
200 HB2 ARG 30 1HB ARG 30 2.730 -4.215 1.829
201 HB3 ARG 30 2HB ARG 30 1.356 -4.965 2.631
202 HG2 ARG 30 1HG ARG 30 0.163 -4.978 0.453
203 HG3 ARG 30 2HG ARG 30 1.641 -4.381 -0.306
204 HD2 ARG 30 1HD ARG 30 1.762 -6.829 1.393
205 HD3 ARG 30 2HD ARG 30 1.103 -6.949 -0.238
206 HE ARG 30 HE ARG 30 3.857 -6.528 0.500
207 HH11 ARG 30 1HH1 ARG 30 1.460 -6.202 -2.005
208 HH12 ARG 30 2HH1 ARG 30 2.619 -6.189 -3.293
209 HH21 ARG 30 1HH2 ARG 30 5.392 -6.512 -1.187
210 HH22 ARG 30 2HH2 ARG 30 4.855 -6.366 -2.827
211 H HIS 31 H HIS 31 -0.405 -2.676 -0.023
212 HA HIS 31 HA HIS 31 1.483 -1.462 -1.752
213 HB2 HIS 31 1HB HIS 31 -0.141 -2.493 -2.991
214 HB3 HIS 31 2HB HIS 31 -1.421 -2.086 -1.851
215 HD1 HIS 31 HD1 HIS 31 0.382 -0.790 -4.851
216 HD2 HIS 31 HD2 HIS 31 -2.682 0.380 -2.301
217 HE1 HIS 31 HE1 HIS 31 -0.723 1.165 -5.982
218 H ARG 32 H ARG 32 -1.372 -0.141 -0.078
219 HA ARG 32 HA ARG 32 -1.401 2.435 -0.849
220 HB2 ARG 32 1HB ARG 32 -1.632 1.422 1.989
221 HB3 ARG 32 2HB ARG 32 -2.096 3.038 1.476
222 HG2 ARG 32 1HG ARG 32 -3.829 2.175 0.080
223 HG3 ARG 32 2HG ARG 32 -3.279 0.518 0.337
224 HD2 ARG 32 1HD ARG 32 -5.122 0.753 1.761
225 HD3 ARG 32 2HD ARG 32 -3.721 0.941 2.815
226 HE ARG 32 HE ARG 32 -5.661 2.969 2.110
227 HH11 ARG 32 1HH1 ARG 32 -2.519 2.274 3.437
228 HH12 ARG 32 2HH1 ARG 32 -2.409 3.772 4.301
229 HH21 ARG 32 1HH2 ARG 32 -5.528 4.944 3.242
230 HH22 ARG 32 2HH2 ARG 32 -4.121 5.289 4.190
231 H GLY 33 H GLY 33 1.128 0.901 0.957
232 HA2 GLY 33 1HA GLY 33 2.378 3.083 2.151
233 HA3 GLY 33 2HA GLY 33 3.205 1.634 1.599
234 H ILE 34 H ILE 34 2.790 1.806 -1.136
235 HA ILE 34 HA ILE 34 4.890 3.340 -2.014
236 HB ILE 34 HB ILE 34 4.075 3.072 -4.259
237 HG12 ILE 34 1HG1 ILE 34 1.468 1.934 -3.363
238 HG13 ILE 34 2HG1 ILE 34 1.637 3.685 -3.388
239 HG21 ILE 34 1HG2 ILE 34 3.131 0.546 -3.850
240 HG22 ILE 34 2HG2 ILE 34 4.834 1.002 -3.867
241 HG23 ILE 34 3HG2 ILE 34 3.971 0.871 -2.334
242 HD11 ILE 34 3HD1 ILE 34 2.643 2.659 -5.834
243 HD12 ILE 34 1HD1 ILE 34 1.062 1.939 -5.530
244 HD13 ILE 34 2HD1 ILE 34 1.242 3.694 -5.558
245 H HIS 35 H HIS 35 1.672 4.356 -1.262
246 HA HIS 35 HA HIS 35 1.839 6.854 -2.693
247 HB2 HIS 35 1HB HIS 35 -0.143 5.728 -0.718
248 HB3 HIS 35 2HB HIS 35 -0.276 7.362 -1.360
249 HD1 HIS 35 HD1 HIS 35 -0.169 7.314 -4.185
250 HD2 HIS 35 HD2 HIS 35 -1.595 3.977 -2.161
251 HE1 HIS 35 HE1 HIS 35 -1.520 6.030 -5.874
252 H THR 36 H THR 36 1.735 5.947 0.754
253 HA THR 36 HA THR 36 2.178 8.481 1.816
254 HB THR 36 HB THR 36 2.448 7.474 3.857
255 HG1 THR 36 HG1 THR 36 4.458 6.492 3.425
256 HG21 THR 36 3HG2 THR 36 1.543 4.916 2.655
257 HG22 THR 36 1HG2 THR 36 0.570 6.350 2.329
258 HG23 THR 36 2HG2 THR 36 0.862 5.842 3.992
259 H GLY 37 H GLY 37 4.600 5.897 1.330
260 HA2 GLY 37 1HA GLY 37 6.822 6.051 0.728
261 HA3 GLY 37 2HA GLY 37 6.567 7.759 0.400
262 H GLU 38 H GLU 38 8.914 7.108 1.488
263 HA GLU 38 HA GLU 38 8.640 7.726 4.354
264 HB2 GLU 38 1HB GLU 38 11.031 6.542 2.935
265 HB3 GLU 38 2HB GLU 38 10.846 6.764 4.669
266 HG2 GLU 38 1HG GLU 38 8.824 5.123 3.248
267 HG3 GLU 38 2HG GLU 38 10.427 4.437 3.507
268 H LYS 39 H LYS 39 8.914 9.368 1.674
269 HA LYS 39 HA LYS 39 11.250 10.979 2.276
270 HB2 LYS 39 1HB LYS 39 9.129 11.215 0.137
271 HB3 LYS 39 2HB LYS 39 10.504 12.301 0.285
272 HG2 LYS 39 1HG LYS 39 12.003 10.731 -0.435
273 HG3 LYS 39 2HG LYS 39 11.013 9.376 0.113
274 HD2 LYS 39 1HD LYS 39 10.107 11.151 -2.129
275 HD3 LYS 39 2HD LYS 39 11.214 9.807 -2.421
276 HE2 LYS 39 1HE LYS 39 9.507 8.356 -1.207
277 HE3 LYS 39 2HE LYS 39 8.399 9.718 -1.370
278 HZ1 LYS 39 3HZ LYS 39 9.392 9.413 -3.874
279 HZ2 LYS 39 1HZ LYS 39 7.899 8.828 -3.334
280 HZ3 LYS 39 2HZ LYS 39 9.254 7.814 -3.339
281 HA PRO 40 HA PRO 40 9.243 14.041 4.703
282 HB2 PRO 40 1HB PRO 40 10.715 16.228 4.056
283 HB3 PRO 40 2HB PRO 40 11.330 14.925 5.079
284 HG2 PRO 40 1HG PRO 40 11.789 15.421 2.163
285 HG3 PRO 40 2HG PRO 40 12.949 14.928 3.410
286 HD2 PRO 40 1HD PRO 40 11.852 13.172 1.665
287 HD3 PRO 40 2HD PRO 40 12.296 12.720 3.323
288 H SER 41 H SER 41 9.767 14.758 1.283
289 HA SER 41 HA SER 41 7.384 16.490 1.332
290 HB2 SER 41 1HB SER 41 9.276 17.766 0.607
291 HB3 SER 41 2HB SER 41 9.787 16.493 -0.503
292 HG SER 41 HG SER 41 8.347 17.136 -1.921
293 H GLY 42 H GLY 42 6.002 16.418 -0.588
294 HA2 GLY 42 1HA GLY 42 6.054 14.644 -2.662
295 HA3 GLY 42 2HA GLY 42 5.432 13.697 -1.318
296 HA PRO 43 HA PRO 43 1.408 15.116 -2.361
297 HB2 PRO 43 1HB PRO 43 0.162 14.688 0.013
298 HB3 PRO 43 2HB PRO 43 0.623 13.378 -1.080
299 HG2 PRO 43 1HG PRO 43 2.021 14.380 1.370
300 HG3 PRO 43 2HG PRO 43 1.739 12.709 0.847
301 HD2 PRO 43 1HD PRO 43 4.112 13.966 0.496
302 HD3 PRO 43 2HD PRO 43 3.501 12.745 -0.639
303 H SER 44 H SER 44 -0.422 16.464 -1.141
304 HA SER 44 HA SER 44 0.764 19.056 -0.664
305 HB2 SER 44 1HB SER 44 -1.484 19.919 -0.795
306 HB3 SER 44 2HB SER 44 -1.286 18.724 -2.077
307 HG SER 44 HG SER 44 -2.899 17.703 -1.229
308 H SER 45 H SER 45 -0.378 20.420 1.116
309 HA SER 45 HA SER 45 -0.329 20.855 3.362
310 HB2 SER 45 1HB SER 45 -2.607 19.978 3.090
311 HB3 SER 45 2HB SER 45 -2.016 18.340 3.369
312 HG SER 45 HG SER 45 -2.325 18.749 5.397
313 H GLY 46 H GLY 46 1.985 19.553 2.556
314 HA2 GLY 46 1HA GLY 46 3.815 18.495 3.451
315 HA3 GLY 46 2HA GLY 46 3.018 18.649 5.010
Start of MODEL 17
1 H1 GLY 1 H GLY 1 -38.052 8.457 -23.142
2 HA2 GLY 1 1HA GLY 1 -35.780 9.105 -23.487
3 HA3 GLY 1 2HA GLY 1 -36.235 10.766 -23.139
4 H SER 2 H SER 2 -34.251 8.684 -22.002
5 HA SER 2 HA SER 2 -34.612 9.517 -19.242
6 HB2 SER 2 1HB SER 2 -35.813 7.412 -19.241
7 HB3 SER 2 2HB SER 2 -34.470 6.603 -20.048
8 HG SER 2 HG SER 2 -33.792 7.895 -17.714
9 H SER 3 H SER 3 -32.716 9.914 -18.254
10 HA SER 3 HA SER 3 -30.304 9.723 -19.800
11 HB2 SER 3 1HB SER 3 -30.858 11.651 -18.287
12 HB3 SER 3 2HB SER 3 -30.597 10.577 -16.912
13 HG SER 3 HG SER 3 -28.450 10.262 -17.713
14 H GLY 4 H GLY 4 -28.507 8.464 -19.424
15 HA2 GLY 4 1HA GLY 4 -28.966 6.149 -17.659
16 HA3 GLY 4 2HA GLY 4 -27.934 6.145 -19.081
17 H SER 5 H SER 5 -27.356 5.385 -16.292
18 HA SER 5 HA SER 5 -24.967 7.049 -15.965
19 HB2 SER 5 1HB SER 5 -26.950 6.392 -13.778
20 HB3 SER 5 2HB SER 5 -25.322 6.996 -13.468
21 HG SER 5 HG SER 5 -25.973 8.787 -14.923
22 H SER 6 H SER 6 -23.384 5.634 -16.319
23 HA SER 6 HA SER 6 -23.651 2.869 -15.449
24 HB2 SER 6 1HB SER 6 -21.848 4.351 -17.304
25 HB3 SER 6 2HB SER 6 -21.225 2.880 -16.557
26 HG SER 6 HG SER 6 -23.675 3.059 -17.979
27 H GLY 7 H GLY 7 -22.244 1.837 -14.021
28 HA2 GLY 7 1HA GLY 7 -19.974 2.458 -12.826
29 HA3 GLY 7 2HA GLY 7 -21.031 3.635 -12.061
30 H THR 8 H THR 8 -21.110 0.153 -12.838
31 HA THR 8 HA THR 8 -21.934 -0.339 -10.053
32 HB THR 8 HB THR 8 -22.960 -1.854 -12.460
33 HG1 THR 8 HG1 THR 8 -24.446 -0.117 -10.772
34 HG21 THR 8 3HG2 THR 8 -24.549 -2.809 -10.808
35 HG22 THR 8 1HG2 THR 8 -23.658 -1.992 -9.525
36 HG23 THR 8 2HG2 THR 8 -22.872 -3.245 -10.486
37 H GLY 9 H GLY 9 -21.267 -2.327 -9.136
38 HA2 GLY 9 1HA GLY 9 -20.017 -4.469 -10.192
39 HA3 GLY 9 2HA GLY 9 -18.738 -3.264 -10.192
40 H LYS 10 H LYS 10 -17.972 -5.220 -8.784
41 HA LYS 10 HA LYS 10 -18.182 -4.321 -6.030
42 HB2 LYS 10 1HB LYS 10 -18.845 -6.399 -5.100
43 HB3 LYS 10 2HB LYS 10 -19.980 -6.066 -6.402
44 HG2 LYS 10 1HG LYS 10 -19.040 -7.691 -7.794
45 HG3 LYS 10 2HG LYS 10 -17.563 -7.787 -6.833
46 HD2 LYS 10 1HD LYS 10 -20.244 -8.538 -5.702
47 HD3 LYS 10 2HD LYS 10 -19.256 -9.693 -6.600
48 HE2 LYS 10 1HE LYS 10 -18.266 -8.154 -4.207
49 HE3 LYS 10 2HE LYS 10 -18.987 -9.760 -4.102
50 HZ1 LYS 10 3HZ LYS 10 -17.193 -10.732 -5.085
51 HZ2 LYS 10 1HZ LYS 10 -16.412 -9.443 -4.316
52 HZ3 LYS 10 2HZ LYS 10 -16.765 -9.353 -5.968
53 H LYS 11 H LYS 11 -16.501 -5.167 -4.665
54 HA LYS 11 HA LYS 11 -14.443 -6.839 -5.748
55 HB2 LYS 11 1HB LYS 11 -12.657 -5.054 -5.525
56 HB3 LYS 11 2HB LYS 11 -13.722 -4.908 -6.917
57 HG2 LYS 11 1HG LYS 11 -13.649 -2.742 -6.181
58 HG3 LYS 11 2HG LYS 11 -15.087 -3.333 -5.345
59 HD2 LYS 11 1HD LYS 11 -13.422 -3.924 -3.441
60 HD3 LYS 11 2HD LYS 11 -12.355 -2.777 -4.254
61 HE2 LYS 11 1HE LYS 11 -13.700 -0.981 -3.778
62 HE3 LYS 11 2HE LYS 11 -15.163 -1.961 -3.694
63 HZ1 LYS 11 3HZ LYS 11 -14.942 -1.954 -1.505
64 HZ2 LYS 11 1HZ LYS 11 -13.463 -1.139 -1.597
65 HZ3 LYS 11 2HZ LYS 11 -13.502 -2.828 -1.652
66 HA PRO 12 HA PRO 12 -13.660 -7.525 -1.483
67 HB2 PRO 12 1HB PRO 12 -11.033 -8.206 -1.524
68 HB3 PRO 12 2HB PRO 12 -12.310 -9.267 -2.130
69 HG2 PRO 12 1HG PRO 12 -10.475 -7.454 -3.648
70 HG3 PRO 12 2HG PRO 12 -10.977 -9.111 -4.029
71 HD2 PRO 12 1HD PRO 12 -12.080 -6.944 -5.220
72 HD3 PRO 12 2HD PRO 12 -12.998 -8.431 -4.905
73 H TYR 13 H TYR 13 -10.981 -5.721 -3.006
74 HA TYR 13 HA TYR 13 -11.241 -3.588 -1.086
75 HB2 TYR 13 1HB TYR 13 -8.589 -5.015 -1.159
76 HB3 TYR 13 2HB TYR 13 -9.133 -3.783 -0.027
77 HD1 TYR 13 HD1 TYR 13 -10.790 -4.361 1.726
78 HD2 TYR 13 HD2 TYR 13 -9.092 -7.323 -0.814
79 HE1 TYR 13 HE1 TYR 13 -11.527 -6.114 3.287
80 HE2 TYR 13 HE2 TYR 13 -9.824 -9.083 0.740
81 HH TYR 13 HH TYR 13 -11.493 -8.282 3.770
82 H LYS 14 H LYS 14 -10.818 -1.741 -2.092
83 HA LYS 14 HA LYS 14 -8.917 -1.754 -4.340
84 HB2 LYS 14 1HB LYS 14 -11.086 -1.687 -5.347
85 HB3 LYS 14 2HB LYS 14 -11.642 -0.462 -4.213
86 HG2 LYS 14 1HG LYS 14 -9.681 0.936 -5.262
87 HG3 LYS 14 2HG LYS 14 -9.903 -0.184 -6.609
88 HD2 LYS 14 1HD LYS 14 -12.451 0.450 -6.219
89 HD3 LYS 14 2HD LYS 14 -11.724 1.914 -5.551
90 HE2 LYS 14 1HE LYS 14 -11.953 2.513 -7.755
91 HE3 LYS 14 2HE LYS 14 -10.319 1.852 -7.762
92 HZ1 LYS 14 3HZ LYS 14 -11.245 0.794 -9.550
93 HZ2 LYS 14 1HZ LYS 14 -12.789 0.709 -8.863
94 HZ3 LYS 14 2HZ LYS 14 -11.571 -0.340 -8.337
95 H CYS 15 H CYS 15 -7.659 0.080 -4.599
96 HA CYS 15 HA CYS 15 -7.285 1.658 -2.222
97 HB2 CYS 15 1HB CYS 15 -5.469 0.761 -3.829
98 HB3 CYS 15 2HB CYS 15 -5.891 2.137 -4.844
99 H ASN 16 H ASN 16 -8.240 3.527 -1.792
100 HA ASN 16 HA ASN 16 -9.853 4.842 -3.788
101 HB2 ASN 16 1HB ASN 16 -10.390 4.550 -1.275
102 HB3 ASN 16 2HB ASN 16 -9.306 5.917 -1.031
103 HD21 ASN 16 1HD2 ASN 16 -10.920 7.257 -0.288
104 HD22 ASN 16 2HD2 ASN 16 -12.149 7.898 -1.319
105 H GLU 17 H GLU 17 -6.662 4.870 -3.305
106 HA GLU 17 HA GLU 17 -6.290 7.755 -3.614
107 HB2 GLU 17 1HB GLU 17 -4.391 5.478 -3.080
108 HB3 GLU 17 2HB GLU 17 -3.821 7.084 -3.514
109 HG2 GLU 17 1HG GLU 17 -5.700 6.694 -1.221
110 HG3 GLU 17 2HG GLU 17 -3.966 6.442 -1.030
111 H CYS 18 H CYS 18 -5.419 4.717 -5.246
112 HA CYS 18 HA CYS 18 -5.002 6.263 -7.720
113 HB2 CYS 18 1HB CYS 18 -3.601 4.339 -8.466
114 HB3 CYS 18 2HB CYS 18 -2.961 5.162 -7.047
115 H GLY 19 H GLY 19 -6.383 3.303 -6.361
116 HA2 GLY 19 1HA GLY 19 -8.598 2.628 -7.086
117 HA3 GLY 19 2HA GLY 19 -8.183 3.196 -8.697
118 H LYS 20 H LYS 20 -6.311 1.150 -6.487
119 HA LYS 20 HA LYS 20 -6.291 -0.920 -8.581
120 HB2 LYS 20 1HB LYS 20 -4.253 0.041 -6.639
121 HB3 LYS 20 2HB LYS 20 -4.247 -1.673 -7.031
122 HG2 LYS 20 1HG LYS 20 -3.658 -1.312 -9.223
123 HG3 LYS 20 2HG LYS 20 -4.311 0.328 -9.239
124 HD2 LYS 20 1HD LYS 20 -2.427 0.760 -7.465
125 HD3 LYS 20 2HD LYS 20 -1.698 -0.670 -8.198
126 HE2 LYS 20 1HE LYS 20 -0.864 1.348 -9.261
127 HE3 LYS 20 2HE LYS 20 -1.827 0.407 -10.399
128 HZ1 LYS 20 3HZ LYS 20 -2.152 3.061 -9.772
129 HZ2 LYS 20 1HZ LYS 20 -3.434 2.283 -8.989
130 HZ3 LYS 20 2HZ LYS 20 -3.222 2.095 -10.656
131 H VAL 21 H VAL 21 -7.287 -2.780 -8.180
132 HA VAL 21 HA VAL 21 -8.286 -3.299 -5.488
133 HB VAL 21 HB VAL 21 -8.866 -4.846 -8.014
134 HG11 VAL 21 1HG1 VAL 21 -10.488 -5.973 -6.852
135 HG12 VAL 21 2HG1 VAL 21 -9.290 -5.741 -5.578
136 HG13 VAL 21 3HG1 VAL 21 -10.697 -4.680 -5.672
137 HG21 VAL 21 3HG2 VAL 21 -9.939 -2.291 -6.993
138 HG22 VAL 21 1HG2 VAL 21 -9.832 -2.900 -8.645
139 HG23 VAL 21 2HG2 VAL 21 -11.123 -3.458 -7.580
140 H PHE 22 H PHE 22 -7.733 -5.037 -4.256
141 HA PHE 22 HA PHE 22 -5.716 -6.882 -5.348
142 HB2 PHE 22 1HB PHE 22 -5.707 -5.764 -2.538
143 HB3 PHE 22 2HB PHE 22 -4.500 -6.828 -3.254
144 HD1 PHE 22 HD2 PHE 22 -5.989 -3.445 -3.509
145 HD2 PHE 22 HD1 PHE 22 -2.674 -5.956 -4.416
146 HE1 PHE 22 HE2 PHE 22 -4.711 -1.481 -4.260
147 HE2 PHE 22 HE1 PHE 22 -1.390 -3.997 -5.168
148 HZ PHE 22 HZ PHE 22 -2.409 -1.756 -5.092
149 H THR 23 H THR 23 -6.563 -8.848 -5.398
150 HA THR 23 HA THR 23 -8.854 -9.821 -4.415
151 HB THR 23 HB THR 23 -7.857 -12.080 -4.332
152 HG1 THR 23 HG1 THR 23 -5.463 -10.572 -4.419
153 HG21 THR 23 3HG2 THR 23 -7.487 -10.208 -6.584
154 HG22 THR 23 1HG2 THR 23 -8.358 -11.739 -6.514
155 HG23 THR 23 2HG2 THR 23 -6.603 -11.730 -6.695
156 H GLN 24 H GLN 24 -5.889 -9.422 -2.560
157 HA GLN 24 HA GLN 24 -7.376 -10.186 -0.134
158 HB2 GLN 24 1HB GLN 24 -4.411 -10.382 -0.687
159 HB3 GLN 24 2HB GLN 24 -5.164 -10.724 0.865
160 HG2 GLN 24 1HG GLN 24 -6.401 -12.562 -0.102
161 HG3 GLN 24 2HG GLN 24 -5.746 -12.192 -1.696
162 HE21 GLN 24 1HE2 GLN 24 -3.893 -13.108 -2.287
163 HE22 GLN 24 2HE2 GLN 24 -2.850 -14.013 -1.248
164 H ASN 25 H ASN 25 -7.444 -8.787 1.549
165 HA ASN 25 HA ASN 25 -7.035 -6.065 1.135
166 HB2 ASN 25 1HB ASN 25 -7.476 -5.782 3.505
167 HB3 ASN 25 2HB ASN 25 -8.544 -7.024 2.858
168 HD21 ASN 25 1HD2 ASN 25 -7.400 -6.430 5.582
169 HD22 ASN 25 2HD2 ASN 25 -6.743 -7.941 6.104
170 H SER 26 H SER 26 -5.027 -8.399 2.909
171 HA SER 26 HA SER 26 -3.091 -6.809 3.962
172 HB2 SER 26 1HB SER 26 -2.642 -9.447 2.544
173 HB3 SER 26 2HB SER 26 -1.521 -8.696 3.679
174 HG SER 26 HG SER 26 -4.127 -9.032 4.566
175 H HIS 27 H HIS 27 -3.226 -7.973 0.611
176 HA HIS 27 HA HIS 27 -0.824 -6.883 -0.291
177 HB2 HIS 27 1HB HIS 27 -3.372 -7.721 -1.586
178 HB3 HIS 27 2HB HIS 27 -2.253 -6.749 -2.537
179 HD2 HIS 27 HD2 HIS 27 -2.012 -10.139 -0.496
180 HE1 HIS 27 HE1 HIS 27 0.579 -10.290 -3.851
181 HE2 HIS 27 HE2 HIS 27 -0.402 -11.577 -1.921
182 H LEU 28 H LEU 28 -4.065 -5.456 -0.165
183 HA LEU 28 HA LEU 28 -3.407 -3.029 -1.436
184 HB2 LEU 28 1HB LEU 28 -5.686 -3.566 -1.291
185 HB3 LEU 28 2HB LEU 28 -5.594 -3.850 0.446
186 HG LEU 28 HG LEU 28 -5.291 -1.421 0.792
187 HD11 LEU 28 1HD1 LEU 28 -5.402 0.141 -0.923
188 HD12 LEU 28 2HD1 LEU 28 -6.073 -1.018 -2.070
189 HD13 LEU 28 3HD1 LEU 28 -4.378 -1.127 -1.597
190 HD21 LEU 28 3HD2 LEU 28 -7.544 -0.935 0.681
191 HD22 LEU 28 1HD2 LEU 28 -7.552 -2.698 0.632
192 HD23 LEU 28 2HD2 LEU 28 -7.759 -1.774 -0.856
193 H ALA 29 H ALA 29 -3.864 -3.715 2.037
194 HA ALA 29 HA ALA 29 -3.183 -1.311 3.123
195 HB1 ALA 29 3HB ALA 29 -1.916 -3.493 4.572
196 HB2 ALA 29 1HB ALA 29 -3.223 -2.414 5.061
197 HB3 ALA 29 2HB ALA 29 -3.578 -3.851 4.101
198 H ARG 30 H ARG 30 -0.908 -3.888 2.203
199 HA ARG 30 HA ARG 30 1.418 -2.432 2.924
200 HB2 ARG 30 1HB ARG 30 2.652 -4.171 1.781
201 HB3 ARG 30 2HB ARG 30 1.347 -4.899 2.709
202 HG2 ARG 30 1HG ARG 30 0.094 -5.375 0.790
203 HG3 ARG 30 2HG ARG 30 1.050 -4.277 -0.208
204 HD2 ARG 30 1HD ARG 30 2.293 -6.665 1.113
205 HD3 ARG 30 2HD ARG 30 1.456 -6.809 -0.432
206 HE ARG 30 HE ARG 30 3.478 -4.748 -0.329
207 HH11 ARG 30 1HH1 ARG 30 2.759 -8.077 -1.051
208 HH12 ARG 30 2HH1 ARG 30 4.120 -8.278 -2.105
209 HH21 ARG 30 1HH2 ARG 30 5.272 -5.000 -1.715
210 HH22 ARG 30 2HH2 ARG 30 5.549 -6.527 -2.481
211 H HIS 31 H HIS 31 -0.525 -2.614 0.031
212 HA HIS 31 HA HIS 31 1.350 -1.464 -1.755
213 HB2 HIS 31 1HB HIS 31 -0.333 -2.459 -2.946
214 HB3 HIS 31 2HB HIS 31 -1.571 -2.012 -1.775
215 HD1 HIS 31 HD1 HIS 31 0.326 -0.636 -4.719
216 HD2 HIS 31 HD2 HIS 31 -2.922 0.339 -2.318
217 HE1 HIS 31 HE1 HIS 31 -0.795 1.304 -5.860
218 H ARG 32 H ARG 32 -1.415 -0.058 -0.001
219 HA ARG 32 HA ARG 32 -1.399 2.514 -0.795
220 HB2 ARG 32 1HB ARG 32 -1.529 1.613 2.089
221 HB3 ARG 32 2HB ARG 32 -2.095 3.160 1.475
222 HG2 ARG 32 1HG ARG 32 -3.716 1.946 0.047
223 HG3 ARG 32 2HG ARG 32 -3.199 0.441 0.810
224 HD2 ARG 32 1HD ARG 32 -5.262 1.388 1.802
225 HD3 ARG 32 2HD ARG 32 -3.945 1.214 2.960
226 HE ARG 32 HE ARG 32 -5.115 3.684 2.002
227 HH11 ARG 32 1HH1 ARG 32 -2.457 2.154 3.650
228 HH12 ARG 32 2HH1 ARG 32 -1.960 3.599 4.465
229 HH21 ARG 32 1HH2 ARG 32 -4.470 5.594 3.069
230 HH22 ARG 32 2HH2 ARG 32 -3.106 5.555 4.135
231 H GLY 33 H GLY 33 1.143 0.920 0.932
232 HA2 GLY 33 1HA GLY 33 2.483 3.072 2.086
233 HA3 GLY 33 2HA GLY 33 3.255 1.601 1.514
234 H ILE 34 H ILE 34 2.747 1.787 -1.211
235 HA ILE 34 HA ILE 34 4.863 3.270 -2.152
236 HB ILE 34 HB ILE 34 3.983 3.005 -4.372
237 HG12 ILE 34 1HG1 ILE 34 1.378 1.925 -3.402
238 HG13 ILE 34 2HG1 ILE 34 1.583 3.673 -3.439
239 HG21 ILE 34 1HG2 ILE 34 3.086 0.595 -2.810
240 HG22 ILE 34 2HG2 ILE 34 3.726 0.648 -4.451
241 HG23 ILE 34 3HG2 ILE 34 4.782 0.997 -3.082
242 HD11 ILE 34 3HD1 ILE 34 1.125 1.806 -5.603
243 HD12 ILE 34 1HD1 ILE 34 0.916 3.556 -5.551
244 HD13 ILE 34 2HD1 ILE 34 2.501 2.867 -5.906
245 H HIS 35 H HIS 35 1.795 4.396 -1.150
246 HA HIS 35 HA HIS 35 1.893 6.857 -2.668
247 HB2 HIS 35 1HB HIS 35 0.047 5.920 -0.464
248 HB3 HIS 35 2HB HIS 35 -0.129 7.450 -1.319
249 HD1 HIS 35 HD1 HIS 35 0.173 6.667 -4.195
250 HD2 HIS 35 HD2 HIS 35 -1.905 4.338 -1.453
251 HE1 HIS 35 HE1 HIS 35 -1.397 5.259 -5.563
252 H THR 36 H THR 36 1.818 6.130 0.826
253 HA THR 36 HA THR 36 2.467 8.625 1.786
254 HB THR 36 HB THR 36 3.616 7.319 3.705
255 HG1 THR 36 HG1 THR 36 3.410 5.381 1.936
256 HG21 THR 36 3HG2 THR 36 1.174 8.154 3.487
257 HG22 THR 36 1HG2 THR 36 1.551 6.950 4.718
258 HG23 THR 36 2HG2 THR 36 0.788 6.457 3.206
259 H GLY 37 H GLY 37 4.670 8.916 3.114
260 HA2 GLY 37 1HA GLY 37 6.950 8.211 1.406
261 HA3 GLY 37 2HA GLY 37 6.627 9.912 1.705
262 H GLU 38 H GLU 38 8.867 9.792 2.559
263 HA GLU 38 HA GLU 38 8.817 9.730 5.399
264 HB2 GLU 38 1HB GLU 38 10.529 7.967 5.719
265 HB3 GLU 38 2HB GLU 38 9.004 7.337 5.111
266 HG2 GLU 38 1HG GLU 38 10.048 7.468 2.800
267 HG3 GLU 38 2HG GLU 38 11.583 7.719 3.629
268 H LYS 39 H LYS 39 10.358 11.042 6.200
269 HA LYS 39 HA LYS 39 12.399 12.014 4.314
270 HB2 LYS 39 1HB LYS 39 12.470 14.014 5.891
271 HB3 LYS 39 2HB LYS 39 11.018 13.830 4.915
272 HG2 LYS 39 1HG LYS 39 9.767 13.037 6.761
273 HG3 LYS 39 2HG LYS 39 11.218 12.848 7.749
274 HD2 LYS 39 1HD LYS 39 11.468 15.428 7.278
275 HD3 LYS 39 2HD LYS 39 9.727 15.320 7.004
276 HE2 LYS 39 1HE LYS 39 11.097 14.289 9.481
277 HE3 LYS 39 2HE LYS 39 10.412 15.908 9.348
278 HZ1 LYS 39 3HZ LYS 39 8.609 14.870 10.175
279 HZ2 LYS 39 1HZ LYS 39 9.072 13.343 9.612
280 HZ3 LYS 39 2HZ LYS 39 8.345 14.448 8.558
281 HA PRO 40 HA PRO 40 14.715 9.674 7.579
282 HB2 PRO 40 1HB PRO 40 16.440 8.506 5.839
283 HB3 PRO 40 2HB PRO 40 14.860 7.818 6.232
284 HG2 PRO 40 1HG PRO 40 15.680 9.445 3.856
285 HG3 PRO 40 2HG PRO 40 14.662 7.994 3.922
286 HD2 PRO 40 1HD PRO 40 13.631 10.489 3.711
287 HD3 PRO 40 2HD PRO 40 12.795 9.180 4.571
288 H SER 41 H SER 41 15.998 11.309 4.688
289 HA SER 41 HA SER 41 17.576 13.103 6.240
290 HB2 SER 41 1HB SER 41 18.989 11.086 6.434
291 HB3 SER 41 2HB SER 41 19.070 10.983 4.676
292 HG SER 41 HG SER 41 20.789 12.175 6.044
293 H GLY 42 H GLY 42 17.289 14.907 5.116
294 HA2 GLY 42 1HA GLY 42 18.312 15.365 2.570
295 HA3 GLY 42 2HA GLY 42 16.615 14.961 2.364
296 HA PRO 43 HA PRO 43 16.865 19.066 4.951
297 HB2 PRO 43 1HB PRO 43 19.247 20.362 4.833
298 HB3 PRO 43 2HB PRO 43 18.853 19.189 6.095
299 HG2 PRO 43 1HG PRO 43 20.464 18.817 3.600
300 HG3 PRO 43 2HG PRO 43 20.791 18.229 5.240
301 HD2 PRO 43 1HD PRO 43 19.739 16.648 3.310
302 HD3 PRO 43 2HD PRO 43 19.340 16.451 5.028
303 H SER 44 H SER 44 17.773 21.491 4.209
304 HA SER 44 HA SER 44 17.476 23.129 2.658
305 HB2 SER 44 1HB SER 44 18.437 21.077 0.655
306 HB3 SER 44 2HB SER 44 18.526 22.832 0.511
307 HG SER 44 HG SER 44 20.235 21.125 1.722
308 H SER 45 H SER 45 15.159 21.894 3.307
309 HA SER 45 HA SER 45 13.652 20.733 1.287
310 HB2 SER 45 1HB SER 45 11.714 21.298 2.571
311 HB3 SER 45 2HB SER 45 13.011 20.986 3.724
312 HG SER 45 HG SER 45 11.879 23.447 2.947
313 H GLY 46 H GLY 46 11.669 21.825 0.270
314 HA2 GLY 46 1HA GLY 46 12.127 24.598 -0.507
315 HA3 GLY 46 2HA GLY 46 12.232 23.403 -1.791
Start of MODEL 18
1 H1 GLY 1 H GLY 1 -24.026 15.543 -5.202
2 HA2 GLY 1 1HA GLY 1 -24.470 15.854 -7.838
3 HA3 GLY 1 2HA GLY 1 -23.946 14.179 -7.759
4 H SER 2 H SER 2 -26.588 15.667 -8.304
5 HA SER 2 HA SER 2 -28.389 14.909 -6.251
6 HB2 SER 2 1HB SER 2 -28.649 15.864 -9.067
7 HB3 SER 2 2HB SER 2 -30.056 15.119 -8.308
8 HG SER 2 HG SER 2 -28.818 17.537 -7.774
9 H SER 3 H SER 3 -29.756 13.157 -6.073
10 HA SER 3 HA SER 3 -28.917 10.652 -6.580
11 HB2 SER 3 1HB SER 3 -30.893 11.119 -5.219
12 HB3 SER 3 2HB SER 3 -31.802 11.572 -6.661
13 HG SER 3 HG SER 3 -30.665 9.012 -6.201
14 H GLY 4 H GLY 4 -28.418 9.525 -8.333
15 HA2 GLY 4 1HA GLY 4 -30.073 9.776 -10.731
16 HA3 GLY 4 2HA GLY 4 -28.366 10.158 -10.892
17 H SER 5 H SER 5 -27.354 8.545 -11.873
18 HA SER 5 HA SER 5 -28.107 5.786 -11.166
19 HB2 SER 5 1HB SER 5 -28.533 6.308 -13.520
20 HB3 SER 5 2HB SER 5 -26.860 6.829 -13.722
21 HG SER 5 HG SER 5 -27.610 4.517 -14.260
22 H SER 6 H SER 6 -26.545 4.336 -10.583
23 HA SER 6 HA SER 6 -23.782 5.342 -10.421
24 HB2 SER 6 1HB SER 6 -23.518 4.478 -8.222
25 HB3 SER 6 2HB SER 6 -25.051 5.349 -8.207
26 HG SER 6 HG SER 6 -25.993 3.551 -7.706
27 H GLY 7 H GLY 7 -22.128 3.793 -10.602
28 HA2 GLY 7 1HA GLY 7 -22.735 1.008 -10.980
29 HA3 GLY 7 2HA GLY 7 -22.376 1.837 -12.488
30 H THR 8 H THR 8 -21.080 1.206 -9.248
31 HA THR 8 HA THR 8 -18.466 0.708 -10.377
32 HB THR 8 HB THR 8 -18.850 2.970 -8.406
33 HG1 THR 8 HG1 THR 8 -17.809 2.975 -11.062
34 HG21 THR 8 3HG2 THR 8 -16.269 3.131 -9.092
35 HG22 THR 8 1HG2 THR 8 -16.482 1.386 -9.225
36 HG23 THR 8 2HG2 THR 8 -16.827 2.203 -7.701
37 H GLY 9 H GLY 9 -17.298 -0.705 -9.167
38 HA2 GLY 9 1HA GLY 9 -16.804 -1.290 -6.727
39 HA3 GLY 9 2HA GLY 9 -18.537 -1.567 -6.634
40 H LYS 10 H LYS 10 -18.709 -3.708 -6.346
41 HA LYS 10 HA LYS 10 -18.667 -5.937 -6.797
42 HB2 LYS 10 1HB LYS 10 -18.268 -4.699 -9.472
43 HB3 LYS 10 2HB LYS 10 -17.932 -6.419 -9.322
44 HG2 LYS 10 1HG LYS 10 -20.171 -6.229 -10.035
45 HG3 LYS 10 2HG LYS 10 -20.228 -6.671 -8.327
46 HD2 LYS 10 1HD LYS 10 -21.812 -4.978 -8.481
47 HD3 LYS 10 2HD LYS 10 -20.376 -4.122 -7.913
48 HE2 LYS 10 1HE LYS 10 -19.946 -3.785 -10.477
49 HE3 LYS 10 2HE LYS 10 -21.679 -4.084 -10.598
50 HZ1 LYS 10 3HZ LYS 10 -21.487 -2.292 -8.570
51 HZ2 LYS 10 1HZ LYS 10 -21.890 -1.923 -10.171
52 HZ3 LYS 10 2HZ LYS 10 -20.291 -1.763 -9.643
53 H LYS 11 H LYS 11 -16.436 -4.917 -5.538
54 HA LYS 11 HA LYS 11 -14.423 -6.845 -6.382
55 HB2 LYS 11 1HB LYS 11 -12.653 -4.998 -5.976
56 HB3 LYS 11 2HB LYS 11 -13.490 -5.042 -7.522
57 HG2 LYS 11 1HG LYS 11 -15.129 -3.383 -6.304
58 HG3 LYS 11 2HG LYS 11 -13.711 -3.086 -5.296
59 HD2 LYS 11 1HD LYS 11 -12.527 -2.134 -7.005
60 HD3 LYS 11 2HD LYS 11 -13.346 -3.085 -8.246
61 HE2 LYS 11 1HE LYS 11 -15.338 -1.723 -8.012
62 HE3 LYS 11 2HE LYS 11 -14.593 -0.816 -6.697
63 HZ1 LYS 11 3HZ LYS 11 -13.955 -0.755 -9.575
64 HZ2 LYS 11 1HZ LYS 11 -12.797 -0.288 -8.433
65 HZ3 LYS 11 2HZ LYS 11 -14.272 0.535 -8.527
66 HA PRO 12 HA PRO 12 -13.878 -7.457 -2.070
67 HB2 PRO 12 1HB PRO 12 -11.245 -8.104 -1.932
68 HB3 PRO 12 2HB PRO 12 -12.467 -9.190 -2.605
69 HG2 PRO 12 1HG PRO 12 -10.560 -7.371 -4.026
70 HG3 PRO 12 2HG PRO 12 -11.016 -9.040 -4.416
71 HD2 PRO 12 1HD PRO 12 -12.067 -6.904 -5.705
72 HD3 PRO 12 2HD PRO 12 -12.984 -8.399 -5.430
73 H TYR 13 H TYR 13 -11.120 -5.645 -3.437
74 HA TYR 13 HA TYR 13 -11.525 -3.513 -1.525
75 HB2 TYR 13 1HB TYR 13 -8.857 -4.925 -1.544
76 HB3 TYR 13 2HB TYR 13 -9.386 -3.639 -0.465
77 HD1 TYR 13 HD1 TYR 13 -10.986 -4.114 1.343
78 HD2 TYR 13 HD2 TYR 13 -9.473 -7.214 -1.149
79 HE1 TYR 13 HE1 TYR 13 -11.757 -5.790 2.969
80 HE2 TYR 13 HE2 TYR 13 -10.241 -8.898 0.471
81 HH TYR 13 HH TYR 13 -11.446 -9.256 2.323
82 H LYS 14 H LYS 14 -10.975 -1.606 -2.383
83 HA LYS 14 HA LYS 14 -9.160 -1.589 -4.702
84 HB2 LYS 14 1HB LYS 14 -11.424 -1.351 -5.533
85 HB3 LYS 14 2HB LYS 14 -11.751 -0.067 -4.377
86 HG2 LYS 14 1HG LYS 14 -9.751 1.118 -5.565
87 HG3 LYS 14 2HG LYS 14 -10.134 0.001 -6.877
88 HD2 LYS 14 1HD LYS 14 -12.554 0.821 -6.591
89 HD3 LYS 14 2HD LYS 14 -11.846 2.153 -5.674
90 HE2 LYS 14 1HE LYS 14 -10.468 2.753 -7.594
91 HE3 LYS 14 2HE LYS 14 -11.133 1.400 -8.508
92 HZ1 LYS 14 3HZ LYS 14 -12.184 3.998 -8.183
93 HZ2 LYS 14 1HZ LYS 14 -13.289 2.871 -7.576
94 HZ3 LYS 14 2HZ LYS 14 -12.743 2.744 -9.171
95 H CYS 15 H CYS 15 -7.694 0.050 -4.801
96 HA CYS 15 HA CYS 15 -7.269 1.564 -2.385
97 HB2 CYS 15 1HB CYS 15 -5.464 0.477 -3.855
98 HB3 CYS 15 2HB CYS 15 -5.696 1.845 -4.939
99 H ASN 16 H ASN 16 -8.228 3.439 -2.005
100 HA ASN 16 HA ASN 16 -9.499 4.950 -4.081
101 HB2 ASN 16 1HB ASN 16 -10.196 4.695 -1.589
102 HB3 ASN 16 2HB ASN 16 -9.031 5.983 -1.298
103 HD21 ASN 16 1HD2 ASN 16 -12.191 5.310 -1.955
104 HD22 ASN 16 2HD2 ASN 16 -12.690 6.852 -2.554
105 H GLU 17 H GLU 17 -6.370 4.642 -3.493
106 HA GLU 17 HA GLU 17 -5.662 7.473 -3.639
107 HB2 GLU 17 1HB GLU 17 -3.967 4.988 -3.356
108 HB3 GLU 17 2HB GLU 17 -3.314 6.616 -3.473
109 HG2 GLU 17 1HG GLU 17 -5.334 6.009 -1.371
110 HG3 GLU 17 2HG GLU 17 -3.667 5.479 -1.151
111 H CYS 18 H CYS 18 -5.031 4.464 -5.438
112 HA CYS 18 HA CYS 18 -4.410 6.100 -7.805
113 HB2 CYS 18 1HB CYS 18 -3.320 3.993 -8.662
114 HB3 CYS 18 2HB CYS 18 -2.546 4.710 -7.253
115 H GLY 19 H GLY 19 -6.169 3.219 -6.715
116 HA2 GLY 19 1HA GLY 19 -8.486 3.022 -7.538
117 HA3 GLY 19 2HA GLY 19 -7.871 3.488 -9.117
118 H LYS 20 H LYS 20 -6.044 1.324 -7.112
119 HA LYS 20 HA LYS 20 -6.402 -0.779 -9.096
120 HB2 LYS 20 1HB LYS 20 -4.403 -0.172 -6.976
121 HB3 LYS 20 2HB LYS 20 -4.629 -1.859 -7.418
122 HG2 LYS 20 1HG LYS 20 -3.803 -1.560 -9.537
123 HG3 LYS 20 2HG LYS 20 -4.212 0.157 -9.570
124 HD2 LYS 20 1HD LYS 20 -2.436 0.519 -7.837
125 HD3 LYS 20 2HD LYS 20 -1.959 -1.166 -8.065
126 HE2 LYS 20 1HE LYS 20 -1.280 -0.783 -10.281
127 HE3 LYS 20 2HE LYS 20 -2.129 0.759 -10.364
128 HZ1 LYS 20 3HZ LYS 20 -0.249 0.840 -8.270
129 HZ2 LYS 20 1HZ LYS 20 -0.310 1.784 -9.673
130 HZ3 LYS 20 2HZ LYS 20 0.527 0.315 -9.679
131 H VAL 21 H VAL 21 -6.290 -3.096 -8.029
132 HA VAL 21 HA VAL 21 -8.055 -3.255 -5.701
133 HB VAL 21 HB VAL 21 -8.633 -4.916 -8.143
134 HG11 VAL 21 1HG1 VAL 21 -10.628 -4.187 -6.059
135 HG12 VAL 21 2HG1 VAL 21 -10.490 -5.655 -7.027
136 HG13 VAL 21 3HG1 VAL 21 -9.400 -5.390 -5.665
137 HG21 VAL 21 3HG2 VAL 21 -9.872 -2.276 -7.370
138 HG22 VAL 21 1HG2 VAL 21 -8.936 -2.622 -8.825
139 HG23 VAL 21 2HG2 VAL 21 -10.515 -3.371 -8.594
140 H PHE 22 H PHE 22 -7.685 -4.992 -4.407
141 HA PHE 22 HA PHE 22 -5.798 -7.033 -5.370
142 HB2 PHE 22 1HB PHE 22 -5.746 -5.872 -2.582
143 HB3 PHE 22 2HB PHE 22 -4.584 -6.981 -3.302
144 HD1 PHE 22 HD2 PHE 22 -5.953 -3.545 -3.607
145 HD2 PHE 22 HD1 PHE 22 -2.695 -6.171 -4.386
146 HE1 PHE 22 HE2 PHE 22 -4.591 -1.633 -4.343
147 HE2 PHE 22 HE1 PHE 22 -1.328 -4.263 -5.123
148 HZ PHE 22 HZ PHE 22 -2.276 -1.990 -5.103
149 H THR 23 H THR 23 -6.654 -8.988 -5.242
150 HA THR 23 HA THR 23 -9.109 -9.668 -4.253
151 HB THR 23 HB THR 23 -7.818 -11.169 -5.685
152 HG1 THR 23 HG1 THR 23 -8.937 -12.023 -3.276
153 HG21 THR 23 3HG2 THR 23 -6.026 -11.280 -3.296
154 HG22 THR 23 1HG2 THR 23 -5.610 -11.128 -5.002
155 HG23 THR 23 2HG2 THR 23 -6.142 -12.682 -4.359
156 H GLN 24 H GLN 24 -6.211 -9.125 -2.466
157 HA GLN 24 HA GLN 24 -7.613 -9.914 -0.001
158 HB2 GLN 24 1HB GLN 24 -4.707 -10.339 -0.699
159 HB3 GLN 24 2HB GLN 24 -5.343 -10.489 0.934
160 HG2 GLN 24 1HG GLN 24 -6.881 -12.251 0.121
161 HG3 GLN 24 2HG GLN 24 -6.103 -12.148 -1.458
162 HE21 GLN 24 1HE2 GLN 24 -6.278 -14.403 0.363
163 HE22 GLN 24 2HE2 GLN 24 -4.652 -14.865 0.722
164 H ASN 25 H ASN 25 -7.645 -8.436 1.592
165 HA ASN 25 HA ASN 25 -7.024 -5.767 1.113
166 HB2 ASN 25 1HB ASN 25 -7.531 -5.366 3.433
167 HB3 ASN 25 2HB ASN 25 -8.622 -6.618 2.845
168 HD21 ASN 25 1HD2 ASN 25 -6.728 -5.740 5.353
169 HD22 ASN 25 2HD2 ASN 25 -6.419 -7.291 6.050
170 H SER 26 H SER 26 -5.207 -8.214 2.929
171 HA SER 26 HA SER 26 -3.177 -6.712 3.981
172 HB2 SER 26 1HB SER 26 -3.290 -9.061 4.460
173 HB3 SER 26 2HB SER 26 -3.059 -9.477 2.762
174 HG SER 26 HG SER 26 -1.099 -9.712 3.768
175 H HIS 27 H HIS 27 -3.446 -7.931 0.671
176 HA HIS 27 HA HIS 27 -0.910 -7.043 -0.206
177 HB2 HIS 27 1HB HIS 27 -3.433 -7.916 -1.546
178 HB3 HIS 27 2HB HIS 27 -2.207 -7.101 -2.513
179 HD2 HIS 27 HD2 HIS 27 -2.219 -10.249 -0.098
180 HE1 HIS 27 HE1 HIS 27 0.455 -10.912 -3.325
181 HE2 HIS 27 HE2 HIS 27 -0.642 -11.916 -1.292
182 H LEU 28 H LEU 28 -4.001 -5.468 0.129
183 HA LEU 28 HA LEU 28 -3.292 -3.180 -1.462
184 HB2 LEU 28 1HB LEU 28 -5.600 -3.780 -1.320
185 HB3 LEU 28 2HB LEU 28 -5.559 -3.728 0.441
186 HG LEU 28 HG LEU 28 -5.242 -1.287 0.340
187 HD11 LEU 28 1HD1 LEU 28 -4.136 -1.165 -1.834
188 HD12 LEU 28 2HD1 LEU 28 -5.546 -0.108 -1.769
189 HD13 LEU 28 3HD1 LEU 28 -5.636 -1.646 -2.628
190 HD21 LEU 28 3HD2 LEU 28 -7.451 -1.241 0.536
191 HD22 LEU 28 1HD2 LEU 28 -7.581 -2.769 -0.335
192 HD23 LEU 28 2HD2 LEU 28 -7.598 -1.246 -1.222
193 H ALA 29 H ALA 29 -3.586 -3.869 2.008
194 HA ALA 29 HA ALA 29 -3.029 -1.352 3.020
195 HB1 ALA 29 3HB ALA 29 -1.913 -2.816 4.923
196 HB2 ALA 29 1HB ALA 29 -3.660 -2.781 4.678
197 HB3 ALA 29 2HB ALA 29 -2.706 -4.121 4.040
198 H ARG 30 H ARG 30 -0.750 -3.943 2.163
199 HA ARG 30 HA ARG 30 1.577 -2.495 2.884
200 HB2 ARG 30 1HB ARG 30 2.808 -4.261 1.906
201 HB3 ARG 30 2HB ARG 30 1.362 -5.008 2.572
202 HG2 ARG 30 1HG ARG 30 0.364 -4.847 0.259
203 HG3 ARG 30 2HG ARG 30 1.978 -4.410 -0.306
204 HD2 ARG 30 1HD ARG 30 1.569 -6.869 1.349
205 HD3 ARG 30 2HD ARG 30 1.217 -6.894 -0.378
206 HE ARG 30 HE ARG 30 3.797 -5.817 0.133
207 HH11 ARG 30 1HH1 ARG 30 2.019 -8.807 -0.029
208 HH12 ARG 30 2HH1 ARG 30 3.408 -9.762 -0.432
209 HH21 ARG 30 1HH2 ARG 30 5.632 -7.064 -0.397
210 HH22 ARG 30 2HH2 ARG 30 5.462 -8.769 -0.641
211 H HIS 31 H HIS 31 -0.361 -2.655 -0.012
212 HA HIS 31 HA HIS 31 1.542 -1.472 -1.766
213 HB2 HIS 31 1HB HIS 31 -0.070 -2.521 -3.004
214 HB3 HIS 31 2HB HIS 31 -1.354 -2.125 -1.866
215 HD1 HIS 31 HD1 HIS 31 0.526 -0.720 -4.795
216 HD2 HIS 31 HD2 HIS 31 -2.736 0.225 -2.401
217 HE1 HIS 31 HE1 HIS 31 -0.626 1.193 -5.951
218 H ARG 32 H ARG 32 -1.340 -0.158 -0.130
219 HA ARG 32 HA ARG 32 -1.371 2.413 -0.917
220 HB2 ARG 32 1HB ARG 32 -1.622 1.442 1.935
221 HB3 ARG 32 2HB ARG 32 -2.124 3.031 1.373
222 HG2 ARG 32 1HG ARG 32 -3.882 2.161 0.109
223 HG3 ARG 32 2HG ARG 32 -3.215 0.527 0.143
224 HD2 ARG 32 1HD ARG 32 -5.049 0.541 1.643
225 HD3 ARG 32 2HD ARG 32 -3.589 0.547 2.632
226 HE ARG 32 HE ARG 32 -4.653 3.167 2.097
227 HH11 ARG 32 1HH1 ARG 32 -4.767 0.393 4.198
228 HH12 ARG 32 2HH1 ARG 32 -5.381 1.281 5.553
229 HH21 ARG 32 1HH2 ARG 32 -5.462 4.347 3.874
230 HH22 ARG 32 2HH2 ARG 32 -5.777 3.530 5.367
231 H GLY 33 H GLY 33 1.142 0.904 0.929
232 HA2 GLY 33 1HA GLY 33 2.366 3.086 2.139
233 HA3 GLY 33 2HA GLY 33 3.212 1.651 1.579
234 H ILE 34 H ILE 34 2.801 1.850 -1.159
235 HA ILE 34 HA ILE 34 4.889 3.452 -1.988
236 HB ILE 34 HB ILE 34 4.129 3.144 -4.256
237 HG12 ILE 34 1HG1 ILE 34 1.589 1.838 -3.403
238 HG13 ILE 34 2HG1 ILE 34 1.642 3.597 -3.414
239 HG21 ILE 34 1HG2 ILE 34 3.617 0.633 -4.160
240 HG22 ILE 34 2HG2 ILE 34 5.126 1.196 -3.444
241 HG23 ILE 34 3HG2 ILE 34 3.750 0.811 -2.410
242 HD11 ILE 34 3HD1 ILE 34 2.751 2.677 -5.851
243 HD12 ILE 34 1HD1 ILE 34 1.233 1.823 -5.578
244 HD13 ILE 34 2HD1 ILE 34 1.264 3.587 -5.587
245 H HIS 35 H HIS 35 1.715 4.385 -1.143
246 HA HIS 35 HA HIS 35 1.792 6.873 -2.642
247 HB2 HIS 35 1HB HIS 35 -0.232 5.778 -0.679
248 HB3 HIS 35 2HB HIS 35 -0.409 7.297 -1.552
249 HD1 HIS 35 HD1 HIS 35 0.350 6.494 -4.368
250 HD2 HIS 35 HD2 HIS 35 -2.009 4.135 -1.892
251 HE1 HIS 35 HE1 HIS 35 -0.966 5.007 -5.911
252 H THR 36 H THR 36 1.455 5.989 0.799
253 HA THR 36 HA THR 36 2.781 8.534 1.477
254 HB THR 36 HB THR 36 0.417 8.388 2.236
255 HG1 THR 36 HG1 THR 36 1.338 9.686 3.642
256 HG21 THR 36 3HG2 THR 36 0.626 5.858 2.670
257 HG22 THR 36 1HG2 THR 36 -0.324 6.816 3.804
258 HG23 THR 36 2HG2 THR 36 1.317 6.324 4.223
259 H GLY 37 H GLY 37 4.539 8.500 2.783
260 HA2 GLY 37 1HA GLY 37 5.242 6.646 4.694
261 HA3 GLY 37 2HA GLY 37 5.880 6.010 3.184
262 H GLU 38 H GLU 38 6.984 7.913 1.847
263 HA GLU 38 HA GLU 38 8.310 9.945 3.294
264 HB2 GLU 38 1HB GLU 38 9.532 8.143 4.338
265 HB3 GLU 38 2HB GLU 38 9.882 7.418 2.775
266 HG2 GLU 38 1HG GLU 38 11.238 9.371 2.182
267 HG3 GLU 38 2HG GLU 38 10.909 10.067 3.768
268 H LYS 39 H LYS 39 8.398 11.421 1.744
269 HA LYS 39 HA LYS 39 10.008 11.146 -0.547
270 HB2 LYS 39 1HB LYS 39 8.215 11.300 -2.279
271 HB3 LYS 39 2HB LYS 39 8.274 9.750 -1.449
272 HG2 LYS 39 1HG LYS 39 6.404 10.465 -0.022
273 HG3 LYS 39 2HG LYS 39 6.327 11.986 -0.916
274 HD2 LYS 39 1HD LYS 39 4.681 10.652 -1.909
275 HD3 LYS 39 2HD LYS 39 6.059 10.522 -3.005
276 HE2 LYS 39 1HE LYS 39 6.651 8.436 -1.557
277 HE3 LYS 39 2HE LYS 39 4.951 8.506 -1.095
278 HZ1 LYS 39 3HZ LYS 39 5.153 8.777 -3.884
279 HZ2 LYS 39 1HZ LYS 39 4.417 7.538 -2.996
280 HZ3 LYS 39 2HZ LYS 39 6.052 7.423 -3.414
281 HA PRO 40 HA PRO 40 9.742 15.519 -0.045
282 HB2 PRO 40 1HB PRO 40 10.994 16.257 -2.338
283 HB3 PRO 40 2HB PRO 40 11.855 15.593 -0.945
284 HG2 PRO 40 1HG PRO 40 10.974 14.223 -3.457
285 HG3 PRO 40 2HG PRO 40 12.512 14.082 -2.586
286 HD2 PRO 40 1HD PRO 40 10.541 12.239 -2.368
287 HD3 PRO 40 2HD PRO 40 11.642 12.623 -1.029
288 H SER 41 H SER 41 7.492 15.828 -0.221
289 HA SER 41 HA SER 41 6.670 17.074 -2.698
290 HB2 SER 41 1HB SER 41 4.559 15.702 -2.814
291 HB3 SER 41 2HB SER 41 6.029 14.817 -3.222
292 HG SER 41 HG SER 41 4.697 14.784 -0.714
293 H GLY 42 H GLY 42 5.154 18.644 -2.392
294 HA2 GLY 42 1HA GLY 42 3.124 19.070 -0.796
295 HA3 GLY 42 2HA GLY 42 4.412 19.163 0.397
296 HA PRO 43 HA PRO 43 4.600 23.477 -0.459
297 HB2 PRO 43 1HB PRO 43 7.021 23.998 0.653
298 HB3 PRO 43 2HB PRO 43 5.570 23.687 1.613
299 HG2 PRO 43 1HG PRO 43 7.805 21.827 0.901
300 HG3 PRO 43 2HG PRO 43 6.974 22.035 2.453
301 HD2 PRO 43 1HD PRO 43 6.404 20.003 0.756
302 HD3 PRO 43 2HD PRO 43 5.179 20.740 1.809
303 H SER 44 H SER 44 6.429 25.082 -1.231
304 HA SER 44 HA SER 44 7.504 25.807 -3.115
305 HB2 SER 44 1HB SER 44 9.321 24.700 -1.767
306 HB3 SER 44 2HB SER 44 9.100 23.261 -2.762
307 HG SER 44 HG SER 44 9.785 24.388 -4.537
308 H SER 45 H SER 45 5.169 24.571 -3.806
309 HA SER 45 HA SER 45 5.627 22.575 -5.832
310 HB2 SER 45 1HB SER 45 3.546 22.594 -4.504
311 HB3 SER 45 2HB SER 45 3.124 24.159 -5.199
312 HG SER 45 HG SER 45 2.468 21.870 -6.165
313 H GLY 46 H GLY 46 6.261 22.979 -7.839
314 HA2 GLY 46 1HA GLY 46 5.663 25.641 -8.979
315 HA3 GLY 46 2HA GLY 46 7.173 24.792 -9.273
Start of MODEL 19
1 H1 GLY 1 H GLY 1 -42.194 6.713 -10.147
2 HA2 GLY 1 1HA GLY 1 -40.447 8.349 -9.816
3 HA3 GLY 1 2HA GLY 1 -40.266 7.751 -8.173
4 H SER 2 H SER 2 -38.637 7.929 -10.892
5 HA SER 2 HA SER 2 -37.331 5.324 -10.484
6 HB2 SER 2 1HB SER 2 -36.851 5.267 -12.933
7 HB3 SER 2 2HB SER 2 -38.572 5.160 -12.560
8 HG SER 2 HG SER 2 -37.876 6.687 -14.276
9 H SER 3 H SER 3 -35.517 5.900 -9.445
10 HA SER 3 HA SER 3 -33.783 7.884 -10.754
11 HB2 SER 3 1HB SER 3 -34.883 8.821 -8.692
12 HB3 SER 3 2HB SER 3 -34.045 7.585 -7.755
13 HG SER 3 HG SER 3 -32.432 9.035 -9.452
14 H GLY 4 H GLY 4 -32.766 6.026 -11.720
15 HA2 GLY 4 1HA GLY 4 -31.348 4.227 -9.900
16 HA3 GLY 4 2HA GLY 4 -31.485 4.044 -11.643
17 H SER 5 H SER 5 -29.073 3.749 -10.254
18 HA SER 5 HA SER 5 -27.541 5.950 -11.441
19 HB2 SER 5 1HB SER 5 -27.844 6.184 -8.893
20 HB3 SER 5 2HB SER 5 -26.763 4.796 -8.768
21 HG SER 5 HG SER 5 -25.193 5.997 -9.890
22 H SER 6 H SER 6 -25.698 5.343 -12.456
23 HA SER 6 HA SER 6 -25.281 2.930 -13.535
24 HB2 SER 6 1HB SER 6 -23.032 4.686 -12.523
25 HB3 SER 6 2HB SER 6 -22.917 3.485 -13.809
26 HG SER 6 HG SER 6 -23.332 5.885 -14.284
27 H GLY 7 H GLY 7 -23.975 1.082 -13.117
28 HA2 GLY 7 1HA GLY 7 -22.823 0.664 -10.515
29 HA3 GLY 7 2HA GLY 7 -24.339 -0.197 -10.736
30 H THR 8 H THR 8 -21.406 -1.003 -10.484
31 HA THR 8 HA THR 8 -21.364 -2.767 -12.846
32 HB THR 8 HB THR 8 -18.972 -1.622 -11.390
33 HG1 THR 8 HG1 THR 8 -19.635 -0.053 -12.745
34 HG21 THR 8 3HG2 THR 8 -17.630 -2.747 -13.081
35 HG22 THR 8 1HG2 THR 8 -19.085 -3.420 -13.816
36 HG23 THR 8 2HG2 THR 8 -18.602 -3.922 -12.195
37 H GLY 9 H GLY 9 -20.233 -2.433 -9.482
38 HA2 GLY 9 1HA GLY 9 -21.268 -4.709 -8.419
39 HA3 GLY 9 2HA GLY 9 -19.808 -5.273 -9.218
40 H LYS 10 H LYS 10 -20.470 -5.258 -6.374
41 HA LYS 10 HA LYS 10 -18.831 -3.209 -5.172
42 HB2 LYS 10 1HB LYS 10 -20.434 -5.523 -4.150
43 HB3 LYS 10 2HB LYS 10 -19.244 -4.764 -3.101
44 HG2 LYS 10 1HG LYS 10 -20.396 -2.573 -3.578
45 HG3 LYS 10 2HG LYS 10 -21.680 -3.515 -4.340
46 HD2 LYS 10 1HD LYS 10 -20.752 -4.091 -1.542
47 HD3 LYS 10 2HD LYS 10 -21.971 -2.859 -1.877
48 HE2 LYS 10 1HE LYS 10 -23.407 -4.501 -2.909
49 HE3 LYS 10 2HE LYS 10 -22.165 -5.741 -2.742
50 HZ1 LYS 10 3HZ LYS 10 -22.369 -5.636 -0.371
51 HZ2 LYS 10 1HZ LYS 10 -23.911 -5.867 -1.029
52 HZ3 LYS 10 2HZ LYS 10 -23.453 -4.340 -0.463
53 H LYS 11 H LYS 11 -16.713 -3.312 -4.847
54 HA LYS 11 HA LYS 11 -15.316 -5.814 -5.387
55 HB2 LYS 11 1HB LYS 11 -14.471 -2.941 -5.172
56 HB3 LYS 11 2HB LYS 11 -13.276 -4.229 -5.089
57 HG2 LYS 11 1HG LYS 11 -13.211 -3.811 -7.317
58 HG3 LYS 11 2HG LYS 11 -14.504 -5.013 -7.298
59 HD2 LYS 11 1HD LYS 11 -15.546 -3.410 -8.530
60 HD3 LYS 11 2HD LYS 11 -15.981 -2.826 -6.922
61 HE2 LYS 11 1HE LYS 11 -13.410 -1.888 -8.063
62 HE3 LYS 11 2HE LYS 11 -14.890 -1.256 -8.784
63 HZ1 LYS 11 3HZ LYS 11 -14.825 -1.237 -5.889
64 HZ2 LYS 11 1HZ LYS 11 -15.355 -0.048 -6.970
65 HZ3 LYS 11 2HZ LYS 11 -13.706 -0.208 -6.631
66 HA PRO 12 HA PRO 12 -14.369 -6.789 -1.213
67 HB2 PRO 12 1HB PRO 12 -11.862 -7.804 -1.443
68 HB3 PRO 12 2HB PRO 12 -13.301 -8.661 -2.009
69 HG2 PRO 12 1HG PRO 12 -11.330 -7.034 -3.568
70 HG3 PRO 12 2HG PRO 12 -12.069 -8.592 -3.980
71 HD2 PRO 12 1HD PRO 12 -12.941 -6.248 -5.016
72 HD3 PRO 12 2HD PRO 12 -14.028 -7.615 -4.702
73 H TYR 13 H TYR 13 -11.549 -5.300 -2.821
74 HA TYR 13 HA TYR 13 -11.400 -3.288 -0.737
75 HB2 TYR 13 1HB TYR 13 -8.955 -4.967 -1.281
76 HB3 TYR 13 2HB TYR 13 -9.194 -3.778 -0.005
77 HD1 TYR 13 HD1 TYR 13 -10.877 -4.308 1.826
78 HD2 TYR 13 HD2 TYR 13 -9.466 -7.231 -0.925
79 HE1 TYR 13 HE1 TYR 13 -11.606 -6.090 3.356
80 HE2 TYR 13 HE2 TYR 13 -10.192 -9.022 0.597
81 HH TYR 13 HH TYR 13 -11.747 -9.375 2.415
82 H LYS 14 H LYS 14 -10.945 -1.403 -1.649
83 HA LYS 14 HA LYS 14 -9.340 -1.375 -4.118
84 HB2 LYS 14 1HB LYS 14 -11.785 -1.023 -4.547
85 HB3 LYS 14 2HB LYS 14 -11.701 0.426 -3.555
86 HG2 LYS 14 1HG LYS 14 -9.768 1.058 -5.220
87 HG3 LYS 14 2HG LYS 14 -10.611 -0.081 -6.273
88 HD2 LYS 14 1HD LYS 14 -11.704 1.848 -6.832
89 HD3 LYS 14 2HD LYS 14 -12.721 1.306 -5.496
90 HE2 LYS 14 1HE LYS 14 -11.650 2.806 -3.979
91 HE3 LYS 14 2HE LYS 14 -10.410 3.210 -5.165
92 HZ1 LYS 14 3HZ LYS 14 -13.301 3.850 -5.405
93 HZ2 LYS 14 1HZ LYS 14 -12.108 4.239 -6.540
94 HZ3 LYS 14 2HZ LYS 14 -12.078 4.947 -5.004
95 H CYS 15 H CYS 15 -7.962 0.379 -4.409
96 HA CYS 15 HA CYS 15 -7.160 1.697 -1.960
97 HB2 CYS 15 1HB CYS 15 -5.577 0.700 -3.707
98 HB3 CYS 15 2HB CYS 15 -5.951 2.111 -4.691
99 H ASN 16 H ASN 16 -8.303 3.424 -1.357
100 HA ASN 16 HA ASN 16 -9.723 5.104 -3.143
101 HB2 ASN 16 1HB ASN 16 -10.015 4.664 -0.558
102 HB3 ASN 16 2HB ASN 16 -8.934 6.046 -0.415
103 HD21 ASN 16 1HD2 ASN 16 -11.248 6.446 0.678
104 HD22 ASN 16 2HD2 ASN 16 -12.288 7.425 -0.294
105 H GLU 17 H GLU 17 -6.475 4.851 -2.626
106 HA GLU 17 HA GLU 17 -5.838 7.674 -2.799
107 HB2 GLU 17 1HB GLU 17 -3.993 5.288 -2.988
108 HB3 GLU 17 2HB GLU 17 -3.516 6.962 -2.748
109 HG2 GLU 17 1HG GLU 17 -5.284 5.515 -0.806
110 HG3 GLU 17 2HG GLU 17 -3.525 5.446 -0.714
111 H CYS 18 H CYS 18 -5.291 4.789 -4.821
112 HA CYS 18 HA CYS 18 -4.992 6.576 -7.141
113 HB2 CYS 18 1HB CYS 18 -3.809 4.686 -8.221
114 HB3 CYS 18 2HB CYS 18 -3.014 5.223 -6.745
115 H GLY 19 H GLY 19 -6.398 3.476 -6.114
116 HA2 GLY 19 1HA GLY 19 -8.778 3.148 -6.681
117 HA3 GLY 19 2HA GLY 19 -8.397 3.804 -8.267
118 H LYS 20 H LYS 20 -6.631 1.413 -6.331
119 HA LYS 20 HA LYS 20 -6.985 -0.493 -8.550
120 HB2 LYS 20 1HB LYS 20 -4.656 0.176 -6.822
121 HB3 LYS 20 2HB LYS 20 -4.843 -1.502 -7.314
122 HG2 LYS 20 1HG LYS 20 -4.471 -1.042 -9.528
123 HG3 LYS 20 2HG LYS 20 -5.008 0.633 -9.383
124 HD2 LYS 20 1HD LYS 20 -2.963 1.095 -8.028
125 HD3 LYS 20 2HD LYS 20 -2.415 -0.544 -8.388
126 HE2 LYS 20 1HE LYS 20 -2.046 -0.074 -10.613
127 HE3 LYS 20 2HE LYS 20 -3.202 1.257 -10.633
128 HZ1 LYS 20 3HZ LYS 20 -0.524 1.285 -9.350
129 HZ2 LYS 20 1HZ LYS 20 -1.641 2.554 -9.292
130 HZ3 LYS 20 2HZ LYS 20 -0.961 2.093 -10.770
131 H VAL 21 H VAL 21 -7.846 -2.444 -8.136
132 HA VAL 21 HA VAL 21 -8.716 -2.980 -5.396
133 HB VAL 21 HB VAL 21 -9.495 -4.506 -7.878
134 HG11 VAL 21 1HG1 VAL 21 -9.853 -5.434 -5.514
135 HG12 VAL 21 2HG1 VAL 21 -11.083 -4.178 -5.354
136 HG13 VAL 21 3HG1 VAL 21 -11.236 -5.409 -6.608
137 HG21 VAL 21 3HG2 VAL 21 -9.992 -1.866 -7.589
138 HG22 VAL 21 1HG2 VAL 21 -11.061 -2.984 -8.436
139 HG23 VAL 21 2HG2 VAL 21 -11.389 -2.549 -6.759
140 H PHE 22 H PHE 22 -8.143 -4.772 -4.248
141 HA PHE 22 HA PHE 22 -6.224 -6.617 -5.504
142 HB2 PHE 22 1HB PHE 22 -6.060 -5.552 -2.677
143 HB3 PHE 22 2HB PHE 22 -4.936 -6.676 -3.432
144 HD1 PHE 22 HD2 PHE 22 -6.317 -3.244 -3.806
145 HD2 PHE 22 HD1 PHE 22 -3.044 -5.876 -4.491
146 HE1 PHE 22 HE2 PHE 22 -4.965 -1.349 -4.603
147 HE2 PHE 22 HE1 PHE 22 -1.686 -3.986 -5.288
148 HZ PHE 22 HZ PHE 22 -2.646 -1.719 -5.346
149 H THR 23 H THR 23 -6.712 -8.703 -5.297
150 HA THR 23 HA THR 23 -9.101 -9.670 -4.364
151 HB THR 23 HB THR 23 -8.040 -11.915 -4.277
152 HG1 THR 23 HG1 THR 23 -5.874 -12.126 -4.454
153 HG21 THR 23 3HG2 THR 23 -8.063 -10.094 -6.534
154 HG22 THR 23 1HG2 THR 23 -8.536 -11.791 -6.453
155 HG23 THR 23 2HG2 THR 23 -6.847 -11.357 -6.722
156 H GLN 24 H GLN 24 -6.080 -9.292 -2.582
157 HA GLN 24 HA GLN 24 -7.522 -10.021 -0.118
158 HB2 GLN 24 1HB GLN 24 -4.602 -10.340 -0.817
159 HB3 GLN 24 2HB GLN 24 -5.237 -10.540 0.811
160 HG2 GLN 24 1HG GLN 24 -6.658 -12.365 0.039
161 HG3 GLN 24 2HG GLN 24 -6.034 -12.161 -1.596
162 HE21 GLN 24 1HE2 GLN 24 -5.207 -13.072 1.685
163 HE22 GLN 24 2HE2 GLN 24 -3.816 -14.011 1.276
164 H ASN 25 H ASN 25 -7.485 -8.634 1.584
165 HA ASN 25 HA ASN 25 -6.991 -5.914 1.132
166 HB2 ASN 25 1HB ASN 25 -8.515 -6.219 2.828
167 HB3 ASN 25 2HB ASN 25 -7.633 -7.577 3.522
168 HD21 ASN 25 1HD2 ASN 25 -6.582 -7.209 5.332
169 HD22 ASN 25 2HD2 ASN 25 -6.092 -5.663 5.927
170 H SER 26 H SER 26 -5.108 -8.335 2.923
171 HA SER 26 HA SER 26 -3.112 -6.781 3.971
172 HB2 SER 26 1HB SER 26 -2.923 -9.546 2.763
173 HB3 SER 26 2HB SER 26 -1.624 -8.798 3.691
174 HG SER 26 HG SER 26 -4.263 -9.231 4.645
175 H HIS 27 H HIS 27 -3.466 -7.890 0.649
176 HA HIS 27 HA HIS 27 -0.914 -7.011 -0.242
177 HB2 HIS 27 1HB HIS 27 -3.471 -7.707 -1.679
178 HB3 HIS 27 2HB HIS 27 -2.032 -7.165 -2.538
179 HD2 HIS 27 HD2 HIS 27 -2.330 -9.929 0.292
180 HE1 HIS 27 HE1 HIS 27 -0.354 -11.541 -3.099
181 HE2 HIS 27 HE2 HIS 27 -1.220 -12.005 -0.779
182 H LEU 28 H LEU 28 -3.993 -5.460 0.198
183 HA LEU 28 HA LEU 28 -3.349 -3.157 -1.404
184 HB2 LEU 28 1HB LEU 28 -5.638 -3.675 -1.266
185 HB3 LEU 28 2HB LEU 28 -5.578 -3.836 0.488
186 HG LEU 28 HG LEU 28 -5.169 -1.356 0.598
187 HD11 LEU 28 1HD1 LEU 28 -5.563 0.011 -1.286
188 HD12 LEU 28 2HD1 LEU 28 -6.125 -1.352 -2.253
189 HD13 LEU 28 3HD1 LEU 28 -4.422 -1.227 -1.811
190 HD21 LEU 28 3HD2 LEU 28 -7.417 -0.908 0.679
191 HD22 LEU 28 1HD2 LEU 28 -7.435 -2.671 0.728
192 HD23 LEU 28 2HD2 LEU 28 -7.767 -1.827 -0.785
193 H ALA 29 H ALA 29 -3.755 -3.742 2.088
194 HA ALA 29 HA ALA 29 -3.094 -1.253 3.055
195 HB1 ALA 29 3HB ALA 29 -3.638 -2.464 4.852
196 HB2 ALA 29 1HB ALA 29 -3.107 -3.972 4.107
197 HB3 ALA 29 2HB ALA 29 -1.935 -2.920 4.901
198 H ARG 30 H ARG 30 -0.926 -3.847 2.029
199 HA ARG 30 HA ARG 30 1.461 -2.507 2.840
200 HB2 ARG 30 1HB ARG 30 2.632 -4.261 1.630
201 HB3 ARG 30 2HB ARG 30 1.337 -4.955 2.596
202 HG2 ARG 30 1HG ARG 30 -0.071 -5.072 0.578
203 HG3 ARG 30 2HG ARG 30 1.281 -4.450 -0.372
204 HD2 ARG 30 1HD ARG 30 1.181 -7.037 1.174
205 HD3 ARG 30 2HD ARG 30 1.199 -6.849 -0.579
206 HE ARG 30 HE ARG 30 3.481 -5.626 0.185
207 HH11 ARG 30 1HH1 ARG 30 2.112 -8.753 0.868
208 HH12 ARG 30 2HH1 ARG 30 3.649 -9.532 1.047
209 HH21 ARG 30 1HH2 ARG 30 5.511 -6.641 0.418
210 HH22 ARG 30 2HH2 ARG 30 5.582 -8.329 0.791
211 H HIS 31 H HIS 31 -0.481 -2.575 -0.059
212 HA HIS 31 HA HIS 31 1.452 -1.417 -1.794
213 HB2 HIS 31 1HB HIS 31 -0.188 -2.411 -3.044
214 HB3 HIS 31 2HB HIS 31 -1.463 -1.987 -1.905
215 HD1 HIS 31 HD1 HIS 31 0.516 -0.555 -4.768
216 HD2 HIS 31 HD2 HIS 31 -2.822 0.353 -2.468
217 HE1 HIS 31 HE1 HIS 31 -0.587 1.389 -5.921
218 H ARG 32 H ARG 32 -1.393 -0.052 -0.135
219 HA ARG 32 HA ARG 32 -1.367 2.528 -0.885
220 HB2 ARG 32 1HB ARG 32 -1.590 1.577 1.977
221 HB3 ARG 32 2HB ARG 32 -2.132 3.139 1.378
222 HG2 ARG 32 1HG ARG 32 -3.777 2.065 -0.034
223 HG3 ARG 32 2HG ARG 32 -3.196 0.475 0.466
224 HD2 ARG 32 1HD ARG 32 -5.114 0.875 1.767
225 HD3 ARG 32 2HD ARG 32 -3.750 1.186 2.839
226 HE ARG 32 HE ARG 32 -4.716 3.537 1.503
227 HH11 ARG 32 1HH1 ARG 32 -5.127 1.439 4.251
228 HH12 ARG 32 2HH1 ARG 32 -5.875 2.655 5.232
229 HH21 ARG 32 1HH2 ARG 32 -5.700 5.146 2.786
230 HH22 ARG 32 2HH2 ARG 32 -6.201 4.763 4.398
231 H GLY 33 H GLY 33 1.120 0.937 0.932
232 HA2 GLY 33 1HA GLY 33 2.405 3.087 2.145
233 HA3 GLY 33 2HA GLY 33 3.209 1.628 1.585
234 H ILE 34 H ILE 34 2.821 1.823 -1.147
235 HA ILE 34 HA ILE 34 4.943 3.383 -1.975
236 HB ILE 34 HB ILE 34 4.213 3.051 -4.239
237 HG12 ILE 34 1HG1 ILE 34 1.609 1.856 -3.415
238 HG13 ILE 34 2HG1 ILE 34 1.731 3.611 -3.458
239 HG21 ILE 34 1HG2 ILE 34 5.062 1.034 -3.671
240 HG22 ILE 34 2HG2 ILE 34 3.984 0.848 -2.288
241 HG23 ILE 34 3HG2 ILE 34 3.393 0.519 -3.916
242 HD11 ILE 34 3HD1 ILE 34 1.340 3.546 -5.628
243 HD12 ILE 34 1HD1 ILE 34 2.850 2.663 -5.857
244 HD13 ILE 34 2HD1 ILE 34 1.342 1.782 -5.604
245 H HIS 35 H HIS 35 1.779 4.373 -1.159
246 HA HIS 35 HA HIS 35 1.877 6.833 -2.694
247 HB2 HIS 35 1HB HIS 35 -0.117 5.819 -0.657
248 HB3 HIS 35 2HB HIS 35 -0.290 7.320 -1.562
249 HD1 HIS 35 HD1 HIS 35 0.419 6.407 -4.373
250 HD2 HIS 35 HD2 HIS 35 -1.983 4.211 -1.790
251 HE1 HIS 35 HE1 HIS 35 -0.967 4.915 -5.848
252 H THR 36 H THR 36 1.670 6.000 0.769
253 HA THR 36 HA THR 36 2.822 8.631 1.397
254 HB THR 36 HB THR 36 0.713 8.247 2.514
255 HG1 THR 36 HG1 THR 36 2.567 7.782 4.579
256 HG21 THR 36 3HG2 THR 36 1.579 5.581 2.649
257 HG22 THR 36 1HG2 THR 36 0.062 6.247 3.252
258 HG23 THR 36 2HG2 THR 36 1.461 6.135 4.319
259 H GLY 37 H GLY 37 4.976 8.534 1.545
260 HA2 GLY 37 1HA GLY 37 6.202 6.915 3.557
261 HA3 GLY 37 2HA GLY 37 6.573 6.329 1.942
262 H GLU 38 H GLU 38 7.255 8.205 0.402
263 HA GLU 38 HA GLU 38 8.782 10.281 1.739
264 HB2 GLU 38 1HB GLU 38 10.904 9.663 0.741
265 HB3 GLU 38 2HB GLU 38 10.303 8.337 1.727
266 HG2 GLU 38 1HG GLU 38 9.779 7.032 -0.123
267 HG3 GLU 38 2HG GLU 38 9.792 8.412 -1.219
268 H LYS 39 H LYS 39 9.339 12.002 0.398
269 HA LYS 39 HA LYS 39 8.120 11.918 -2.284
270 HB2 LYS 39 1HB LYS 39 7.166 13.468 -0.432
271 HB3 LYS 39 2HB LYS 39 8.590 14.453 -0.741
272 HG2 LYS 39 1HG LYS 39 7.882 14.464 -3.173
273 HG3 LYS 39 2HG LYS 39 6.346 13.790 -2.622
274 HD2 LYS 39 1HD LYS 39 7.442 16.260 -1.339
275 HD3 LYS 39 2HD LYS 39 6.610 16.369 -2.892
276 HE2 LYS 39 1HE LYS 39 4.684 15.163 -1.853
277 HE3 LYS 39 2HE LYS 39 5.512 15.287 -0.301
278 HZ1 LYS 39 3HZ LYS 39 4.795 17.357 -0.063
279 HZ2 LYS 39 1HZ LYS 39 3.834 17.151 -1.440
280 HZ3 LYS 39 2HZ LYS 39 5.383 17.816 -1.581
281 HA PRO 40 HA PRO 40 12.608 12.453 -3.067
282 HB2 PRO 40 1HB PRO 40 12.563 11.123 -5.433
283 HB3 PRO 40 2HB PRO 40 12.710 10.304 -3.874
284 HG2 PRO 40 1HG PRO 40 10.287 10.693 -5.587
285 HG3 PRO 40 2HG PRO 40 10.816 9.246 -4.709
286 HD2 PRO 40 1HD PRO 40 8.884 10.894 -3.770
287 HD3 PRO 40 2HD PRO 40 9.989 10.009 -2.698
288 H SER 41 H SER 41 13.702 13.365 -5.032
289 HA SER 41 HA SER 41 13.920 15.295 -6.267
290 HB2 SER 41 1HB SER 41 11.714 13.754 -7.634
291 HB3 SER 41 2HB SER 41 12.432 15.202 -8.339
292 HG SER 41 HG SER 41 13.416 13.203 -9.024
293 H GLY 42 H GLY 42 12.466 15.857 -3.973
294 HA2 GLY 42 1HA GLY 42 10.206 17.504 -4.872
295 HA3 GLY 42 2HA GLY 42 10.554 17.056 -3.208
296 HA PRO 43 HA PRO 43 12.263 21.061 -2.632
297 HB2 PRO 43 1HB PRO 43 13.822 20.566 -0.465
298 HB3 PRO 43 2HB PRO 43 12.059 20.663 -0.378
299 HG2 PRO 43 1HG PRO 43 13.819 18.245 -0.513
300 HG3 PRO 43 2HG PRO 43 12.392 18.535 0.499
301 HD2 PRO 43 1HD PRO 43 12.295 17.055 -1.767
302 HD3 PRO 43 2HD PRO 43 10.925 18.036 -1.208
303 H SER 44 H SER 44 13.500 21.022 -4.625
304 HA SER 44 HA SER 44 16.377 20.828 -4.098
305 HB2 SER 44 1HB SER 44 16.709 19.817 -6.362
306 HB3 SER 44 2HB SER 44 15.858 18.758 -5.237
307 HG SER 44 HG SER 44 15.011 19.135 -7.517
308 H SER 45 H SER 45 17.583 22.414 -5.014
309 HA SER 45 HA SER 45 16.376 24.794 -5.819
310 HB2 SER 45 1HB SER 45 19.202 23.848 -6.359
311 HB3 SER 45 2HB SER 45 18.642 25.515 -6.486
312 HG SER 45 HG SER 45 18.492 23.965 -4.115
313 H GLY 46 H GLY 46 18.162 22.452 -7.839
314 HA2 GLY 46 1HA GLY 46 16.810 23.604 -10.194
315 HA3 GLY 46 2HA GLY 46 18.347 22.754 -10.235
Start of MODEL 20
1 H1 GLY 1 H GLY 1 -38.048 5.605 -10.911
2 HA2 GLY 1 1HA GLY 1 -38.188 3.384 -9.605
3 HA3 GLY 1 2HA GLY 1 -39.228 2.909 -10.940
4 H SER 2 H SER 2 -35.977 3.498 -9.903
5 HA SER 2 HA SER 2 -35.008 2.434 -12.475
6 HB2 SER 2 1HB SER 2 -32.958 3.758 -12.178
7 HB3 SER 2 2HB SER 2 -34.380 4.800 -12.217
8 HG SER 2 HG SER 2 -33.421 5.530 -10.457
9 H SER 3 H SER 3 -33.028 1.182 -12.356
10 HA SER 3 HA SER 3 -32.549 -0.010 -9.707
11 HB2 SER 3 1HB SER 3 -33.021 -1.409 -12.336
12 HB3 SER 3 2HB SER 3 -32.174 -2.198 -11.005
13 HG SER 3 HG SER 3 -33.987 -2.196 -9.823
14 H GLY 4 H GLY 4 -30.481 -1.429 -9.813
15 HA2 GLY 4 1HA GLY 4 -28.261 0.116 -10.088
16 HA3 GLY 4 2HA GLY 4 -28.225 -1.633 -10.260
17 H SER 5 H SER 5 -27.406 1.182 -11.732
18 HA SER 5 HA SER 5 -27.668 0.040 -14.435
19 HB2 SER 5 1HB SER 5 -27.204 2.935 -13.680
20 HB3 SER 5 2HB SER 5 -27.497 2.306 -15.301
21 HG SER 5 HG SER 5 -29.326 3.230 -13.912
22 H SER 6 H SER 6 -25.463 1.902 -12.357
23 HA SER 6 HA SER 6 -23.222 2.142 -13.798
24 HB2 SER 6 1HB SER 6 -21.938 2.036 -11.795
25 HB3 SER 6 2HB SER 6 -23.529 2.629 -11.318
26 HG SER 6 HG SER 6 -22.292 0.605 -10.294
27 H GLY 7 H GLY 7 -24.328 -0.890 -12.336
28 HA2 GLY 7 1HA GLY 7 -23.805 -2.768 -14.052
29 HA3 GLY 7 2HA GLY 7 -22.145 -2.314 -13.695
30 H THR 8 H THR 8 -21.805 -4.482 -12.967
31 HA THR 8 HA THR 8 -22.659 -4.847 -10.184
32 HB THR 8 HB THR 8 -24.136 -6.267 -11.529
33 HG1 THR 8 HG1 THR 8 -22.319 -8.080 -10.383
34 HG21 THR 8 3HG2 THR 8 -21.637 -7.691 -12.444
35 HG22 THR 8 1HG2 THR 8 -22.550 -6.556 -13.438
36 HG23 THR 8 2HG2 THR 8 -23.301 -8.057 -12.898
37 H GLY 9 H GLY 9 -21.221 -6.053 -8.887
38 HA2 GLY 9 1HA GLY 9 -19.173 -7.564 -9.064
39 HA3 GLY 9 2HA GLY 9 -18.516 -6.262 -10.045
40 H LYS 10 H LYS 10 -19.353 -7.300 -6.832
41 HA LYS 10 HA LYS 10 -18.579 -4.813 -5.590
42 HB2 LYS 10 1HB LYS 10 -20.324 -6.380 -4.667
43 HB3 LYS 10 2HB LYS 10 -19.022 -7.492 -4.267
44 HG2 LYS 10 1HG LYS 10 -18.039 -5.841 -2.782
45 HG3 LYS 10 2HG LYS 10 -19.299 -4.683 -3.214
46 HD2 LYS 10 1HD LYS 10 -19.975 -7.375 -2.071
47 HD3 LYS 10 2HD LYS 10 -19.564 -6.012 -1.028
48 HE2 LYS 10 1HE LYS 10 -21.723 -5.919 -3.127
49 HE3 LYS 10 2HE LYS 10 -22.020 -6.346 -1.443
50 HZ1 LYS 10 3HZ LYS 10 -21.302 -3.752 -2.603
51 HZ2 LYS 10 1HZ LYS 10 -20.784 -4.098 -1.030
52 HZ3 LYS 10 2HZ LYS 10 -22.434 -4.118 -1.401
53 H LYS 11 H LYS 11 -16.501 -4.256 -5.596
54 HA LYS 11 HA LYS 11 -14.379 -6.177 -5.706
55 HB2 LYS 11 1HB LYS 11 -14.299 -3.192 -5.230
56 HB3 LYS 11 2HB LYS 11 -12.898 -4.204 -5.554
57 HG2 LYS 11 1HG LYS 11 -15.165 -4.159 -7.493
58 HG3 LYS 11 2HG LYS 11 -13.996 -2.836 -7.472
59 HD2 LYS 11 1HD LYS 11 -12.236 -4.214 -8.098
60 HD3 LYS 11 2HD LYS 11 -13.058 -5.678 -7.554
61 HE2 LYS 11 1HE LYS 11 -13.868 -4.001 -9.928
62 HE3 LYS 11 2HE LYS 11 -12.950 -5.504 -10.011
63 HZ1 LYS 11 3HZ LYS 11 -14.903 -6.536 -8.807
64 HZ2 LYS 11 1HZ LYS 11 -15.161 -6.097 -10.420
65 HZ3 LYS 11 2HZ LYS 11 -15.762 -5.125 -9.172
66 HA PRO 12 HA PRO 12 -13.820 -6.867 -1.391
67 HB2 PRO 12 1HB PRO 12 -11.235 -7.696 -1.434
68 HB3 PRO 12 2HB PRO 12 -12.575 -8.699 -2.001
69 HG2 PRO 12 1HG PRO 12 -10.656 -7.032 -3.582
70 HG3 PRO 12 2HG PRO 12 -11.254 -8.668 -3.915
71 HD2 PRO 12 1HD PRO 12 -12.245 -6.474 -5.154
72 HD3 PRO 12 2HD PRO 12 -13.241 -7.899 -4.793
73 H TYR 13 H TYR 13 -11.040 -5.274 -2.971
74 HA TYR 13 HA TYR 13 -11.168 -3.074 -1.110
75 HB2 TYR 13 1HB TYR 13 -8.623 -4.694 -1.165
76 HB3 TYR 13 2HB TYR 13 -9.030 -3.356 -0.097
77 HD1 TYR 13 HD1 TYR 13 -10.808 -3.694 1.653
78 HD2 TYR 13 HD2 TYR 13 -9.193 -6.918 -0.606
79 HE1 TYR 13 HE1 TYR 13 -11.653 -5.284 3.328
80 HE2 TYR 13 HE2 TYR 13 -10.035 -8.517 1.063
81 HH TYR 13 HH TYR 13 -11.612 -8.709 2.797
82 H LYS 14 H LYS 14 -11.015 -1.420 -2.464
83 HA LYS 14 HA LYS 14 -9.048 -1.563 -4.653
84 HB2 LYS 14 1HB LYS 14 -11.218 -1.355 -5.598
85 HB3 LYS 14 2HB LYS 14 -11.684 -0.117 -4.439
86 HG2 LYS 14 1HG LYS 14 -9.388 0.462 -6.223
87 HG3 LYS 14 2HG LYS 14 -11.007 0.463 -6.927
88 HD2 LYS 14 1HD LYS 14 -11.606 1.964 -4.890
89 HD3 LYS 14 2HD LYS 14 -9.863 2.229 -4.797
90 HE2 LYS 14 1HE LYS 14 -9.797 3.386 -6.768
91 HE3 LYS 14 2HE LYS 14 -11.183 2.531 -7.443
92 HZ1 LYS 14 3HZ LYS 14 -11.182 5.044 -6.335
93 HZ2 LYS 14 1HZ LYS 14 -11.926 4.069 -5.169
94 HZ3 LYS 14 2HZ LYS 14 -12.540 4.121 -6.744
95 H CYS 15 H CYS 15 -7.692 0.184 -5.037
96 HA CYS 15 HA CYS 15 -7.205 1.866 -2.719
97 HB2 CYS 15 1HB CYS 15 -5.410 0.620 -4.087
98 HB3 CYS 15 2HB CYS 15 -5.619 1.902 -5.277
99 H ASN 16 H ASN 16 -8.459 3.620 -2.579
100 HA ASN 16 HA ASN 16 -9.559 4.972 -4.822
101 HB2 ASN 16 1HB ASN 16 -10.442 4.900 -2.403
102 HB3 ASN 16 2HB ASN 16 -9.274 6.178 -2.077
103 HD21 ASN 16 1HD2 ASN 16 -12.340 5.894 -2.343
104 HD22 ASN 16 2HD2 ASN 16 -12.774 7.279 -3.280
105 H GLU 17 H GLU 17 -6.460 4.901 -3.708
106 HA GLU 17 HA GLU 17 -5.800 7.686 -4.090
107 HB2 GLU 17 1HB GLU 17 -4.080 5.239 -3.667
108 HB3 GLU 17 2HB GLU 17 -3.444 6.870 -3.816
109 HG2 GLU 17 1HG GLU 17 -5.297 5.861 -1.672
110 HG3 GLU 17 2HG GLU 17 -3.584 6.237 -1.495
111 H CYS 18 H CYS 18 -5.157 4.638 -5.805
112 HA CYS 18 HA CYS 18 -4.520 6.227 -8.204
113 HB2 CYS 18 1HB CYS 18 -3.169 4.270 -8.946
114 HB3 CYS 18 2HB CYS 18 -2.561 5.015 -7.472
115 H GLY 19 H GLY 19 -5.982 3.203 -7.048
116 HA2 GLY 19 1HA GLY 19 -8.276 2.793 -7.920
117 HA3 GLY 19 2HA GLY 19 -7.628 3.190 -9.504
118 H LYS 20 H LYS 20 -5.998 1.242 -7.069
119 HA LYS 20 HA LYS 20 -6.130 -1.037 -8.927
120 HB2 LYS 20 1HB LYS 20 -4.038 -0.023 -7.070
121 HB3 LYS 20 2HB LYS 20 -4.152 -1.765 -7.281
122 HG2 LYS 20 1HG LYS 20 -3.502 -1.683 -9.476
123 HG3 LYS 20 2HG LYS 20 -4.078 -0.030 -9.698
124 HD2 LYS 20 1HD LYS 20 -2.187 0.497 -7.933
125 HD3 LYS 20 2HD LYS 20 -1.515 -1.017 -8.544
126 HE2 LYS 20 1HE LYS 20 -1.405 -0.166 -10.761
127 HE3 LYS 20 2HE LYS 20 -2.363 1.251 -10.333
128 HZ1 LYS 20 3HZ LYS 20 0.408 0.633 -9.473
129 HZ2 LYS 20 1HZ LYS 20 -0.514 1.894 -8.823
130 HZ3 LYS 20 2HZ LYS 20 -0.100 1.908 -10.462
131 H VAL 21 H VAL 21 -7.088 -2.878 -8.317
132 HA VAL 21 HA VAL 21 -8.058 -3.056 -5.544
133 HB VAL 21 HB VAL 21 -9.105 -4.432 -8.023
134 HG11 VAL 21 1HG1 VAL 21 -9.723 -4.706 -5.130
135 HG12 VAL 21 2HG1 VAL 21 -11.062 -4.787 -6.277
136 HG13 VAL 21 3HG1 VAL 21 -9.718 -5.922 -6.407
137 HG21 VAL 21 3HG2 VAL 21 -10.162 -2.502 -8.380
138 HG22 VAL 21 1HG2 VAL 21 -11.095 -2.843 -6.923
139 HG23 VAL 21 2HG2 VAL 21 -9.641 -1.849 -6.827
140 H PHE 22 H PHE 22 -7.817 -4.946 -4.365
141 HA PHE 22 HA PHE 22 -6.074 -7.006 -5.539
142 HB2 PHE 22 1HB PHE 22 -5.866 -6.011 -2.692
143 HB3 PHE 22 2HB PHE 22 -4.799 -7.155 -3.501
144 HD1 PHE 22 HD2 PHE 22 -6.022 -3.649 -3.795
145 HD2 PHE 22 HD1 PHE 22 -2.829 -6.393 -4.416
146 HE1 PHE 22 HE2 PHE 22 -4.565 -1.791 -4.487
147 HE2 PHE 22 HE1 PHE 22 -1.366 -4.540 -5.108
148 HZ PHE 22 HZ PHE 22 -2.234 -2.235 -5.145
149 H THR 23 H THR 23 -6.519 -9.102 -5.003
150 HA THR 23 HA THR 23 -9.134 -9.738 -4.170
151 HB THR 23 HB THR 23 -8.252 -12.109 -4.040
152 HG1 THR 23 HG1 THR 23 -6.068 -12.190 -5.135
153 HG21 THR 23 3HG2 THR 23 -8.805 -12.210 -6.196
154 HG22 THR 23 1HG2 THR 23 -7.312 -11.398 -6.663
155 HG23 THR 23 2HG2 THR 23 -8.740 -10.449 -6.252
156 H GLN 24 H GLN 24 -6.302 -9.060 -2.393
157 HA GLN 24 HA GLN 24 -7.646 -9.928 0.071
158 HB2 GLN 24 1HB GLN 24 -4.731 -10.329 -0.615
159 HB3 GLN 24 2HB GLN 24 -5.407 -10.554 0.993
160 HG2 GLN 24 1HG GLN 24 -6.294 -12.075 -1.446
161 HG3 GLN 24 2HG GLN 24 -5.099 -12.654 -0.286
162 HE21 GLN 24 1HE2 GLN 24 -6.938 -14.361 -0.437
163 HE22 GLN 24 2HE2 GLN 24 -8.139 -14.242 0.799
164 H ASN 25 H ASN 25 -7.705 -8.432 1.635
165 HA ASN 25 HA ASN 25 -7.072 -5.774 1.179
166 HB2 ASN 25 1HB ASN 25 -7.339 -5.484 3.651
167 HB3 ASN 25 2HB ASN 25 -8.657 -6.372 2.891
168 HD21 ASN 25 1HD2 ASN 25 -9.220 -8.239 3.756
169 HD22 ASN 25 2HD2 ASN 25 -8.284 -9.153 4.885
170 H SER 26 H SER 26 -5.241 -8.195 3.026
171 HA SER 26 HA SER 26 -3.189 -6.675 4.005
172 HB2 SER 26 1HB SER 26 -3.281 -8.992 4.575
173 HB3 SER 26 2HB SER 26 -3.133 -9.482 2.888
174 HG SER 26 HG SER 26 -1.132 -8.067 4.319
175 H HIS 27 H HIS 27 -3.556 -7.928 0.726
176 HA HIS 27 HA HIS 27 -1.019 -7.189 -0.241
177 HB2 HIS 27 1HB HIS 27 -3.644 -7.482 -1.717
178 HB3 HIS 27 2HB HIS 27 -2.067 -7.347 -2.490
179 HD2 HIS 27 HD2 HIS 27 -0.890 -9.552 -0.009
180 HE1 HIS 27 HE1 HIS 27 -3.166 -12.198 -2.421
181 HE2 HIS 27 HE2 HIS 27 -1.456 -12.010 -0.581
182 H LEU 28 H LEU 28 -4.100 -5.454 -0.139
183 HA LEU 28 HA LEU 28 -3.217 -3.187 -1.589
184 HB2 LEU 28 1HB LEU 28 -5.540 -3.525 -1.450
185 HB3 LEU 28 2HB LEU 28 -5.493 -3.677 0.305
186 HG LEU 28 HG LEU 28 -4.848 -1.220 0.354
187 HD11 LEU 28 1HD1 LEU 28 -5.728 -1.440 -2.518
188 HD12 LEU 28 2HD1 LEU 28 -4.153 -0.920 -1.921
189 HD13 LEU 28 3HD1 LEU 28 -5.578 0.077 -1.631
190 HD21 LEU 28 3HD2 LEU 28 -7.149 -2.274 0.765
191 HD22 LEU 28 1HD2 LEU 28 -7.559 -1.682 -0.845
192 HD23 LEU 28 2HD2 LEU 28 -7.083 -0.545 0.418
193 H ALA 29 H ALA 29 -3.881 -3.520 1.903
194 HA ALA 29 HA ALA 29 -3.007 -1.173 2.883
195 HB1 ALA 29 3HB ALA 29 -1.984 -2.638 4.808
196 HB2 ALA 29 1HB ALA 29 -3.725 -2.591 4.532
197 HB3 ALA 29 2HB ALA 29 -2.773 -3.950 3.932
198 H ARG 30 H ARG 30 -0.838 -3.931 2.239
199 HA ARG 30 HA ARG 30 1.553 -2.638 2.883
200 HB2 ARG 30 1HB ARG 30 2.668 -4.406 1.655
201 HB3 ARG 30 2HB ARG 30 1.327 -5.080 2.572
202 HG2 ARG 30 1HG ARG 30 0.068 -5.496 0.681
203 HG3 ARG 30 2HG ARG 30 0.944 -4.308 -0.287
204 HD2 ARG 30 1HD ARG 30 2.307 -6.754 0.786
205 HD3 ARG 30 2HD ARG 30 1.384 -6.808 -0.716
206 HE ARG 30 HE ARG 30 3.938 -5.527 -0.282
207 HH11 ARG 30 1HH1 ARG 30 1.121 -5.785 -2.311
208 HH12 ARG 30 2HH1 ARG 30 1.917 -5.159 -3.718
209 HH21 ARG 30 1HH2 ARG 30 4.997 -4.702 -2.126
210 HH22 ARG 30 2HH2 ARG 30 4.121 -4.545 -3.612
211 H HIS 31 H HIS 31 -0.324 -2.674 -0.082
212 HA HIS 31 HA HIS 31 1.663 -1.453 -1.717
213 HB2 HIS 31 1HB HIS 31 0.100 -2.507 -3.029
214 HB3 HIS 31 2HB HIS 31 -1.240 -2.069 -1.974
215 HD1 HIS 31 HD1 HIS 31 1.002 -0.530 -4.607
216 HD2 HIS 31 HD2 HIS 31 -2.675 0.110 -2.783
217 HE1 HIS 31 HE1 HIS 31 -0.063 1.355 -5.886
218 H ARG 32 H ARG 32 -1.152 -0.221 0.055
219 HA ARG 32 HA ARG 32 -1.276 2.371 -0.727
220 HB2 ARG 32 1HB ARG 32 -1.313 1.700 2.205
221 HB3 ARG 32 2HB ARG 32 -2.275 2.892 1.340
222 HG2 ARG 32 1HG ARG 32 -3.395 0.979 0.159
223 HG3 ARG 32 2HG ARG 32 -2.567 -0.098 1.285
224 HD2 ARG 32 1HD ARG 32 -4.662 1.972 1.854
225 HD3 ARG 32 2HD ARG 32 -4.677 0.252 2.241
226 HE ARG 32 HE ARG 32 -2.540 1.366 3.611
227 HH11 ARG 32 1HH1 ARG 32 -6.007 1.679 3.540
228 HH12 ARG 32 2HH1 ARG 32 -6.131 2.129 5.209
229 HH21 ARG 32 1HH2 ARG 32 -2.691 1.957 5.809
230 HH22 ARG 32 2HH2 ARG 32 -4.244 2.287 6.499
231 H GLY 33 H GLY 33 1.347 0.856 0.910
232 HA2 GLY 33 1HA GLY 33 2.562 3.031 2.174
233 HA3 GLY 33 2HA GLY 33 3.412 1.624 1.551
234 H ILE 34 H ILE 34 2.812 1.931 -1.181
235 HA ILE 34 HA ILE 34 4.869 3.633 -2.004
236 HB ILE 34 HB ILE 34 4.154 3.247 -4.260
237 HG12 ILE 34 1HG1 ILE 34 1.654 1.848 -3.439
238 HG13 ILE 34 2HG1 ILE 34 1.638 3.608 -3.454
239 HG21 ILE 34 1HG2 ILE 34 5.115 1.272 -3.808
240 HG22 ILE 34 2HG2 ILE 34 4.206 1.063 -2.312
241 HG23 ILE 34 3HG2 ILE 34 3.468 0.643 -3.857
242 HD11 ILE 34 3HD1 ILE 34 1.899 1.692 -5.710
243 HD12 ILE 34 1HD1 ILE 34 0.902 3.140 -5.564
244 HD13 ILE 34 2HD1 ILE 34 2.637 3.288 -5.849
245 H HIS 35 H HIS 35 1.633 4.334 -1.157
246 HA HIS 35 HA HIS 35 1.504 6.807 -2.667
247 HB2 HIS 35 1HB HIS 35 -0.363 5.415 -0.761
248 HB3 HIS 35 2HB HIS 35 -0.660 7.070 -1.284
249 HD1 HIS 35 HD1 HIS 35 -0.441 7.186 -4.138
250 HD2 HIS 35 HD2 HIS 35 -1.732 3.689 -2.305
251 HE1 HIS 35 HE1 HIS 35 -1.679 5.911 -5.918
252 H THR 36 H THR 36 1.697 5.825 0.741
253 HA THR 36 HA THR 36 1.642 8.283 1.973
254 HB THR 36 HB THR 36 2.658 7.308 3.851
255 HG1 THR 36 HG1 THR 36 3.869 5.198 3.412
256 HG21 THR 36 3HG2 THR 36 1.690 4.816 2.495
257 HG22 THR 36 1HG2 THR 36 0.570 6.123 2.875
258 HG23 THR 36 2HG2 THR 36 1.470 5.330 4.168
259 H GLY 37 H GLY 37 4.338 6.723 0.321
260 HA2 GLY 37 1HA GLY 37 6.114 8.943 1.004
261 HA3 GLY 37 2HA GLY 37 6.576 7.456 0.188
262 H GLU 38 H GLU 38 3.843 9.449 -0.751
263 HA GLU 38 HA GLU 38 5.352 10.397 -3.086
264 HB2 GLU 38 1HB GLU 38 2.856 8.770 -3.040
265 HB3 GLU 38 2HB GLU 38 2.997 10.023 -4.266
266 HG2 GLU 38 1HG GLU 38 5.185 8.026 -3.870
267 HG3 GLU 38 2HG GLU 38 3.757 7.628 -4.824
268 H LYS 39 H LYS 39 4.851 12.428 -3.790
269 HA LYS 39 HA LYS 39 2.486 13.828 -3.168
270 HB2 LYS 39 1HB LYS 39 3.154 15.306 -1.449
271 HB3 LYS 39 2HB LYS 39 3.615 13.703 -0.892
272 HG2 LYS 39 1HG LYS 39 5.584 15.437 -2.326
273 HG3 LYS 39 2HG LYS 39 5.268 15.658 -0.603
274 HD2 LYS 39 1HD LYS 39 5.719 13.164 -0.363
275 HD3 LYS 39 2HD LYS 39 6.361 13.232 -2.007
276 HE2 LYS 39 1HE LYS 39 8.036 14.819 -1.347
277 HE3 LYS 39 2HE LYS 39 7.324 14.974 0.258
278 HZ1 LYS 39 3HZ LYS 39 7.782 12.339 0.120
279 HZ2 LYS 39 1HZ LYS 39 8.858 13.454 0.799
280 HZ3 LYS 39 2HZ LYS 39 9.077 12.929 -0.794
281 HA PRO 40 HA PRO 40 4.090 16.318 -6.415
282 HB2 PRO 40 1HB PRO 40 2.602 18.562 -6.069
283 HB3 PRO 40 2HB PRO 40 1.938 17.060 -6.723
284 HG2 PRO 40 1HG PRO 40 1.776 18.148 -3.939
285 HG3 PRO 40 2HG PRO 40 0.510 17.382 -4.916
286 HD2 PRO 40 1HD PRO 40 1.865 16.053 -2.984
287 HD3 PRO 40 2HD PRO 40 1.265 15.254 -4.451
288 H SER 41 H SER 41 4.657 16.944 -3.185
289 HA SER 41 HA SER 41 6.153 18.234 -2.056
290 HB2 SER 41 1HB SER 41 7.732 17.378 -3.746
291 HB3 SER 41 2HB SER 41 7.316 18.721 -4.810
292 HG SER 41 HG SER 41 8.800 19.786 -3.792
293 H GLY 42 H GLY 42 3.755 19.444 -2.508
294 HA2 GLY 42 1HA GLY 42 3.680 21.881 -3.806
295 HA3 GLY 42 2HA GLY 42 2.777 21.516 -2.343
296 HA PRO 43 HA PRO 43 6.439 24.581 -1.711
297 HB2 PRO 43 1HB PRO 43 5.231 26.957 -2.229
298 HB3 PRO 43 2HB PRO 43 6.111 26.039 -3.457
299 HG2 PRO 43 1HG PRO 43 3.163 26.186 -2.952
300 HG3 PRO 43 2HG PRO 43 4.037 26.220 -4.495
301 HD2 PRO 43 1HD PRO 43 2.827 23.988 -3.555
302 HD3 PRO 43 2HD PRO 43 4.304 23.931 -4.538
303 H SER 44 H SER 44 3.026 24.581 -0.965
304 HA SER 44 HA SER 44 3.054 26.352 1.221
305 HB2 SER 44 1HB SER 44 0.995 25.545 0.064
306 HB3 SER 44 2HB SER 44 1.230 23.970 0.821
307 HG SER 44 HG SER 44 -0.184 25.722 1.857
308 H SER 45 H SER 45 3.125 22.786 1.186
309 HA SER 45 HA SER 45 4.716 22.853 3.644
310 HB2 SER 45 1HB SER 45 2.519 22.511 4.516
311 HB3 SER 45 2HB SER 45 2.133 21.332 3.263
312 HG SER 45 HG SER 45 2.659 20.331 5.253
313 H GLY 46 H GLY 46 5.705 20.716 4.133
314 HA2 GLY 46 1HA GLY 46 5.791 18.479 2.602
315 HA3 GLY 46 2HA GLY 46 6.802 19.605 1.707