Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
504861 | 2en9 RC | 10170 | cing | 1-original | 5 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 H1 GLY 1 H GLY 1 11.089 -21.610 -8.043
2 HA2 GLY 1 1HA GLY 1 10.716 -24.106 -6.664
3 HA3 GLY 1 2HA GLY 1 11.932 -23.086 -5.908
4 H SER 2 H SER 2 8.622 -23.746 -6.218
5 HA SER 2 HA SER 2 7.811 -21.163 -5.118
6 HB2 SER 2 1HB SER 2 6.348 -23.486 -6.324
7 HB3 SER 2 2HB SER 2 5.480 -22.355 -5.286
8 HG SER 2 HG SER 2 6.730 -20.783 -6.833
9 H SER 3 H SER 3 8.393 -21.111 -3.005
10 HA SER 3 HA SER 3 7.460 -23.315 -1.289
11 HB2 SER 3 1HB SER 3 9.705 -21.330 -0.871
12 HB3 SER 3 2HB SER 3 9.151 -22.465 0.360
13 HG SER 3 HG SER 3 9.735 -23.567 -2.109
14 H GLY 4 H GLY 4 5.618 -21.411 -2.114
15 HA2 GLY 4 1HA GLY 4 5.264 -19.157 -0.556
16 HA3 GLY 4 2HA GLY 4 3.947 -20.115 -1.215
17 H SER 5 H SER 5 5.590 -19.149 1.595
18 HA SER 5 HA SER 5 4.103 -21.122 3.201
19 HB2 SER 5 1HB SER 5 5.771 -20.822 4.950
20 HB3 SER 5 2HB SER 5 6.572 -21.246 3.437
21 HG SER 5 HG SER 5 7.490 -19.437 4.679
22 H SER 6 H SER 6 5.100 -17.731 3.007
23 HA SER 6 HA SER 6 3.304 -16.984 5.161
24 HB2 SER 6 1HB SER 6 4.184 -14.719 4.830
25 HB3 SER 6 2HB SER 6 5.502 -15.883 4.960
26 HG SER 6 HG SER 6 5.666 -15.843 2.687
27 H GLY 7 H GLY 7 3.712 -16.011 1.748
28 HA2 GLY 7 1HA GLY 7 0.796 -15.885 1.496
29 HA3 GLY 7 2HA GLY 7 1.708 -14.420 1.163
30 H ALA 8 H ALA 8 2.338 -14.093 -0.865
31 HA ALA 8 HA ALA 8 2.924 -14.465 -3.038
32 HB1 ALA 8 3HB ALA 8 3.109 -17.351 -3.041
33 HB2 ALA 8 1HB ALA 8 4.355 -16.140 -3.345
34 HB3 ALA 8 2HB ALA 8 3.998 -16.643 -1.692
35 H GLY 9 H GLY 9 0.221 -14.328 -2.315
36 HA2 GLY 9 1HA GLY 9 -0.962 -15.602 -4.617
37 HA3 GLY 9 2HA GLY 9 -1.540 -16.243 -3.086
38 H LYS 10 H LYS 10 -3.356 -15.143 -4.737
39 HA LYS 10 HA LYS 10 -4.841 -13.416 -5.067
40 HB2 LYS 10 1HB LYS 10 -5.997 -12.807 -3.037
41 HB3 LYS 10 2HB LYS 10 -5.543 -14.503 -2.947
42 HG2 LYS 10 1HG LYS 10 -4.000 -14.149 -1.294
43 HG3 LYS 10 2HG LYS 10 -3.717 -12.472 -1.767
44 HD2 LYS 10 1HD LYS 10 -6.321 -13.409 -0.585
45 HD3 LYS 10 2HD LYS 10 -4.976 -12.840 0.406
46 HE2 LYS 10 1HE LYS 10 -5.919 -11.149 -1.861
47 HE3 LYS 10 2HE LYS 10 -6.877 -11.200 -0.381
48 HZ1 LYS 10 3HZ LYS 10 -5.496 -9.569 0.248
49 HZ2 LYS 10 1HZ LYS 10 -4.297 -9.984 -0.871
50 HZ3 LYS 10 2HZ LYS 10 -4.415 -10.824 0.591
51 H LYS 11 H LYS 11 -2.259 -12.483 -5.491
52 HA LYS 11 HA LYS 11 -2.160 -9.880 -4.141
53 HB2 LYS 11 1HB LYS 11 -0.145 -11.570 -4.493
54 HB3 LYS 11 2HB LYS 11 -0.047 -10.766 -6.053
55 HG2 LYS 11 1HG LYS 11 -0.163 -9.137 -3.557
56 HG3 LYS 11 2HG LYS 11 1.353 -9.897 -4.046
57 HD2 LYS 11 1HD LYS 11 -0.286 -8.141 -5.864
58 HD3 LYS 11 2HD LYS 11 1.022 -7.534 -4.846
59 HE2 LYS 11 1HE LYS 11 1.254 -9.620 -7.013
60 HE3 LYS 11 2HE LYS 11 1.822 -7.954 -7.102
61 HZ1 LYS 11 3HZ LYS 11 3.719 -8.588 -6.190
62 HZ2 LYS 11 1HZ LYS 11 3.177 -10.188 -6.113
63 HZ3 LYS 11 2HZ LYS 11 2.910 -9.142 -4.811
64 H LEU 12 H LEU 12 -2.352 -7.969 -5.224
65 HA LEU 12 HA LEU 12 -2.862 -8.108 -8.120
66 HB2 LEU 12 1HB LEU 12 -4.400 -6.019 -7.392
67 HB3 LEU 12 2HB LEU 12 -4.993 -7.668 -7.579
68 HG LEU 12 HG LEU 12 -5.841 -6.604 -5.542
69 HD11 LEU 12 1HD1 LEU 12 -5.859 -8.597 -4.562
70 HD12 LEU 12 2HD1 LEU 12 -4.126 -8.532 -4.243
71 HD13 LEU 12 3HD1 LEU 12 -4.715 -9.131 -5.793
72 HD21 LEU 12 3HD2 LEU 12 -3.400 -5.441 -5.336
73 HD22 LEU 12 1HD2 LEU 12 -3.263 -6.733 -4.143
74 HD23 LEU 12 2HD2 LEU 12 -4.568 -5.553 -4.019
75 H PHE 13 H PHE 13 -1.640 -6.303 -5.389
76 HA PHE 13 HA PHE 13 -0.172 -4.579 -7.259
77 HB2 PHE 13 1HB PHE 13 -1.214 -3.479 -4.664
78 HB3 PHE 13 2HB PHE 13 -0.669 -2.608 -6.094
79 HD1 PHE 13 HD2 PHE 13 -2.151 -3.691 -8.268
80 HD2 PHE 13 HD1 PHE 13 -3.421 -3.009 -4.264
81 HE1 PHE 13 HE2 PHE 13 -4.479 -3.505 -9.042
82 HE2 PHE 13 HE1 PHE 13 -5.751 -2.822 -5.030
83 HZ PHE 13 HZ PHE 13 -6.283 -3.069 -7.422
84 H LYS 14 H LYS 14 1.942 -4.417 -6.836
85 HA LYS 14 HA LYS 14 2.915 -5.072 -4.148
86 HB2 LYS 14 1HB LYS 14 3.434 -7.114 -5.029
87 HB3 LYS 14 2HB LYS 14 3.502 -6.506 -6.678
88 HG2 LYS 14 1HG LYS 14 5.700 -5.859 -6.496
89 HG3 LYS 14 2HG LYS 14 5.621 -5.707 -4.739
90 HD2 LYS 14 1HD LYS 14 5.373 -8.201 -4.628
91 HD3 LYS 14 2HD LYS 14 5.702 -8.247 -6.362
92 HE2 LYS 14 1HE LYS 14 7.595 -6.801 -4.571
93 HE3 LYS 14 2HE LYS 14 7.631 -8.564 -4.600
94 HZ1 LYS 14 3HZ LYS 14 7.833 -6.877 -7.032
95 HZ2 LYS 14 1HZ LYS 14 8.088 -8.545 -6.918
96 HZ3 LYS 14 2HZ LYS 14 9.174 -7.472 -6.191
97 H CYS 15 H CYS 15 4.546 -3.808 -3.453
98 HA CYS 15 HA CYS 15 5.343 -1.590 -5.126
99 HB2 CYS 15 1HB CYS 15 4.786 -1.265 -2.737
100 HB3 CYS 15 2HB CYS 15 6.160 -2.272 -2.294
101 H ASN 16 H ASN 16 7.084 -1.564 -6.372
102 HA ASN 16 HA ASN 16 9.036 -3.692 -6.192
103 HB2 ASN 16 1HB ASN 16 8.136 -2.837 -8.375
104 HB3 ASN 16 2HB ASN 16 9.005 -1.333 -8.084
105 HD21 ASN 16 1HD2 ASN 16 10.119 -1.763 -10.056
106 HD22 ASN 16 2HD2 ASN 16 11.450 -2.864 -10.081
107 H GLU 17 H GLU 17 8.947 -1.848 -3.980
108 HA GLU 17 HA GLU 17 11.697 -0.823 -4.146
109 HB2 GLU 17 1HB GLU 17 9.526 0.610 -2.628
110 HB3 GLU 17 2HB GLU 17 11.136 1.191 -3.027
111 HG2 GLU 17 1HG GLU 17 10.244 0.838 -5.495
112 HG3 GLU 17 2HG GLU 17 8.692 1.071 -4.694
113 H CYS 18 H CYS 18 9.039 -1.898 -2.083
114 HA CYS 18 HA CYS 18 11.031 -2.906 -0.171
115 HB2 CYS 18 1HB CYS 18 9.631 -2.238 1.706
116 HB3 CYS 18 2HB CYS 18 10.038 -0.830 0.731
117 H LYS 19 H LYS 19 9.228 -4.005 -2.372
118 HA LYS 19 HA LYS 19 7.762 -5.737 -2.727
119 HB2 LYS 19 1HB LYS 19 9.727 -6.725 -0.681
120 HB3 LYS 19 2HB LYS 19 8.460 -7.784 -1.286
121 HG2 LYS 19 1HG LYS 19 10.264 -8.276 -2.649
122 HG3 LYS 19 2HG LYS 19 9.328 -7.138 -3.620
123 HD2 LYS 19 1HD LYS 19 11.451 -6.279 -3.853
124 HD3 LYS 19 2HD LYS 19 10.863 -5.357 -2.467
125 HE2 LYS 19 1HE LYS 19 12.900 -6.027 -1.671
126 HE3 LYS 19 2HE LYS 19 11.896 -7.366 -1.117
127 HZ1 LYS 19 3HZ LYS 19 13.318 -8.673 -2.187
128 HZ2 LYS 19 1HZ LYS 19 14.058 -7.375 -2.981
129 HZ3 LYS 19 2HZ LYS 19 12.671 -8.087 -3.636
130 H LYS 20 H LYS 20 6.333 -3.990 -1.377
131 HA LYS 20 HA LYS 20 5.090 -5.466 0.847
132 HB2 LYS 20 1HB LYS 20 5.980 -3.201 1.380
133 HB3 LYS 20 2HB LYS 20 4.864 -2.520 0.203
134 HG2 LYS 20 1HG LYS 20 3.902 -2.227 2.348
135 HG3 LYS 20 2HG LYS 20 2.991 -3.504 1.538
136 HD2 LYS 20 1HD LYS 20 3.323 -4.336 3.694
137 HD3 LYS 20 2HD LYS 20 4.585 -5.122 2.743
138 HE2 LYS 20 1HE LYS 20 5.220 -2.527 4.048
139 HE3 LYS 20 2HE LYS 20 5.098 -3.960 5.068
140 HZ1 LYS 20 3HZ LYS 20 7.287 -4.037 4.494
141 HZ2 LYS 20 1HZ LYS 20 7.049 -3.327 2.977
142 HZ3 LYS 20 2HZ LYS 20 6.645 -4.951 3.224
143 H THR 21 H THR 21 2.734 -5.303 1.029
144 HA THR 21 HA THR 21 1.361 -4.832 -1.523
145 HB THR 21 HB THR 21 -0.040 -6.913 -0.995
146 HG1 THR 21 HG1 THR 21 2.134 -7.214 0.784
147 HG21 THR 21 3HG2 THR 21 2.673 -6.753 -2.144
148 HG22 THR 21 1HG2 THR 21 1.170 -7.329 -2.863
149 HG23 THR 21 2HG2 THR 21 2.089 -8.378 -1.783
150 H PHE 22 H PHE 22 -0.939 -4.519 -1.323
151 HA PHE 22 HA PHE 22 -1.919 -4.001 1.387
152 HB2 PHE 22 1HB PHE 22 -2.009 -1.996 -0.877
153 HB3 PHE 22 2HB PHE 22 -2.851 -1.816 0.659
154 HD1 PHE 22 HD1 PHE 22 0.497 -2.072 -0.889
155 HD2 PHE 22 HD2 PHE 22 -1.753 -0.969 2.552
156 HE1 PHE 22 HE1 PHE 22 2.498 -1.014 0.077
157 HE2 PHE 22 HE2 PHE 22 0.244 0.090 3.523
158 HZ PHE 22 HZ PHE 22 2.373 0.070 2.285
159 H THR 23 H THR 23 -3.825 -4.937 1.651
160 HA THR 23 HA THR 23 -5.234 -6.476 -0.004
161 HB THR 23 HB THR 23 -6.539 -4.530 1.910
162 HG1 THR 23 HG1 THR 23 -5.373 -5.704 3.257
163 HG21 THR 23 3HG2 THR 23 -8.486 -5.679 1.711
164 HG22 THR 23 1HG2 THR 23 -7.676 -7.213 1.399
165 HG23 THR 23 2HG2 THR 23 -7.849 -6.028 0.104
166 H GLN 24 H GLN 24 -5.321 -2.965 -0.021
167 HA GLN 24 HA GLN 24 -6.870 -3.085 -2.520
168 HB2 GLN 24 1HB GLN 24 -7.177 -1.129 -0.242
169 HB3 GLN 24 2HB GLN 24 -7.862 -0.866 -1.840
170 HG2 GLN 24 1HG GLN 24 -8.473 -3.314 -0.218
171 HG3 GLN 24 2HG GLN 24 -9.395 -1.820 -0.064
172 HE21 GLN 24 1HE2 GLN 24 -9.107 -4.721 -1.691
173 HE22 GLN 24 2HE2 GLN 24 -10.179 -4.394 -3.006
174 H SER 25 H SER 25 -6.633 -1.034 -3.820
175 HA SER 25 HA SER 25 -3.850 -0.526 -4.215
176 HB2 SER 25 1HB SER 25 -4.595 0.928 -6.055
177 HB3 SER 25 2HB SER 25 -5.421 -0.629 -6.104
178 HG SER 25 HG SER 25 -7.133 0.517 -4.875
179 H SER 26 H SER 26 -6.588 1.585 -3.341
180 HA SER 26 HA SER 26 -5.376 3.977 -2.996
181 HB2 SER 26 1HB SER 26 -7.746 3.703 -2.575
182 HB3 SER 26 2HB SER 26 -7.418 2.704 -1.159
183 HG SER 26 HG SER 26 -7.903 4.890 -0.621
184 H SER 27 H SER 27 -5.358 1.321 -0.643
185 HA SER 27 HA SER 27 -3.947 2.627 1.389
186 HB2 SER 27 1HB SER 27 -4.145 -0.294 0.647
187 HB3 SER 27 2HB SER 27 -3.288 0.269 2.082
188 HG SER 27 HG SER 27 -5.240 0.022 2.896
189 H LEU 28 H LEU 28 -2.780 0.663 -1.324
190 HA LEU 28 HA LEU 28 -0.042 0.802 -0.637
191 HB2 LEU 28 1HB LEU 28 -0.580 -0.908 -2.108
192 HB3 LEU 28 2HB LEU 28 -1.558 0.145 -3.128
193 HG LEU 28 HG LEU 28 0.539 1.223 -3.923
194 HD11 LEU 28 1HD1 LEU 28 1.692 0.034 -1.742
195 HD12 LEU 28 2HD1 LEU 28 2.559 0.741 -3.105
196 HD13 LEU 28 3HD1 LEU 28 2.234 -0.992 -3.071
197 HD21 LEU 28 3HD2 LEU 28 1.213 -1.432 -4.707
198 HD22 LEU 28 1HD2 LEU 28 0.355 -0.191 -5.620
199 HD23 LEU 28 2HD2 LEU 28 -0.542 -1.303 -4.587
200 H THR 29 H THR 29 -2.075 2.748 -2.786
201 HA THR 29 HA THR 29 -0.193 4.348 -3.991
202 HB THR 29 HB THR 29 -2.913 5.198 -2.978
203 HG1 THR 29 HG1 THR 29 -2.031 4.181 -5.492
204 HG21 THR 29 3HG2 THR 29 -1.044 6.935 -3.740
205 HG22 THR 29 1HG2 THR 29 -2.745 7.147 -4.155
206 HG23 THR 29 2HG2 THR 29 -1.627 6.465 -5.336
207 H VAL 30 H VAL 30 -1.935 5.169 -0.983
208 HA VAL 30 HA VAL 30 -0.502 7.462 -0.349
209 HB VAL 30 HB VAL 30 -2.571 6.805 0.804
210 HG11 VAL 30 1HG1 VAL 30 -1.983 5.171 2.845
211 HG12 VAL 30 2HG1 VAL 30 -2.618 4.595 1.302
212 HG13 VAL 30 3HG1 VAL 30 -0.886 4.520 1.628
213 HG21 VAL 30 3HG2 VAL 30 -0.674 6.947 3.059
214 HG22 VAL 30 1HG2 VAL 30 -0.510 8.200 1.829
215 HG23 VAL 30 2HG2 VAL 30 -2.048 7.979 2.663
216 H HIS 31 H HIS 31 0.449 4.163 -0.164
217 HA HIS 31 HA HIS 31 2.594 4.636 1.725
218 HB2 HIS 31 1HB HIS 31 1.864 2.479 2.015
219 HB3 HIS 31 2HB HIS 31 1.473 2.267 0.311
220 HD1 HIS 31 HD1 HIS 31 4.310 2.014 2.741
221 HD2 HIS 31 HD2 HIS 31 3.541 1.269 -1.273
222 HE1 HIS 31 HE1 HIS 31 6.285 0.696 1.911
223 H GLN 32 H GLN 32 2.124 4.554 -1.708
224 HA GLN 32 HA GLN 32 4.816 4.137 -2.480
225 HB2 GLN 32 1HB GLN 32 2.548 4.099 -3.851
226 HB3 GLN 32 2HB GLN 32 2.981 5.773 -4.170
227 HG2 GLN 32 1HG GLN 32 3.849 4.575 -5.972
228 HG3 GLN 32 2HG GLN 32 5.236 4.884 -4.928
229 HE21 GLN 32 1HE2 GLN 32 2.659 2.449 -5.164
230 HE22 GLN 32 2HE2 GLN 32 3.707 1.082 -5.034
231 H ARG 33 H ARG 33 2.904 7.045 -1.858
232 HA ARG 33 HA ARG 33 4.496 9.048 -2.757
233 HB2 ARG 33 1HB ARG 33 3.042 8.914 -0.111
234 HB3 ARG 33 2HB ARG 33 3.714 10.390 -0.791
235 HG2 ARG 33 1HG ARG 33 2.181 10.407 -2.562
236 HG3 ARG 33 2HG ARG 33 1.723 8.724 -2.290
237 HD2 ARG 33 1HD ARG 33 0.405 9.237 -0.472
238 HD3 ARG 33 2HD ARG 33 1.287 10.722 -0.120
239 HE ARG 33 HE ARG 33 -0.926 10.398 -1.950
240 HH11 ARG 33 1HH1 ARG 33 1.763 12.377 -0.961
241 HH12 ARG 33 2HH1 ARG 33 1.117 13.828 -1.654
242 HH21 ARG 33 1HH2 ARG 33 -1.786 12.302 -2.866
243 HH22 ARG 33 2HH2 ARG 33 -0.901 13.784 -2.736
244 H ILE 34 H ILE 34 4.948 7.237 0.257
245 HA ILE 34 HA ILE 34 7.057 8.639 1.356
246 HB ILE 34 HB ILE 34 6.515 5.673 1.402
247 HG12 ILE 34 1HG1 ILE 34 5.867 6.324 3.809
248 HG13 ILE 34 2HG1 ILE 34 5.867 7.983 3.222
249 HG21 ILE 34 1HG2 ILE 34 8.050 6.493 3.641
250 HG22 ILE 34 2HG2 ILE 34 8.474 5.333 2.383
251 HG23 ILE 34 3HG2 ILE 34 8.878 7.037 2.182
252 HD11 ILE 34 3HD1 ILE 34 3.659 6.649 3.280
253 HD12 ILE 34 1HD1 ILE 34 4.031 7.640 1.870
254 HD13 ILE 34 2HD1 ILE 34 4.273 5.894 1.810
255 H HIS 35 H HIS 35 7.262 5.855 -0.862
256 HA HIS 35 HA HIS 35 10.086 5.992 -1.128
257 HB2 HIS 35 1HB HIS 35 8.074 4.712 -2.989
258 HB3 HIS 35 2HB HIS 35 9.803 4.383 -2.943
259 HD1 HIS 35 HD1 HIS 35 10.442 3.749 -0.160
260 HD2 HIS 35 HD2 HIS 35 6.802 2.644 -1.830
261 HE1 HIS 35 HE1 HIS 35 9.599 1.852 1.260
262 H THR 36 H THR 36 7.409 7.456 -2.832
263 HA THR 36 HA THR 36 9.246 8.610 -4.808
264 HB THR 36 HB THR 36 7.375 9.121 -6.165
265 HG1 THR 36 HG1 THR 36 5.482 8.236 -4.293
266 HG21 THR 36 3HG2 THR 36 6.333 6.571 -5.049
267 HG22 THR 36 1HG2 THR 36 7.997 6.591 -5.632
268 HG23 THR 36 2HG2 THR 36 6.676 7.017 -6.720
269 H GLY 37 H GLY 37 9.342 9.548 -2.116
270 HA2 GLY 37 1HA GLY 37 9.087 12.354 -2.601
271 HA3 GLY 37 2HA GLY 37 7.859 11.777 -1.484
272 H GLU 38 H GLU 38 10.915 10.175 -1.509
273 HA GLU 38 HA GLU 38 11.514 11.375 1.106
274 HB2 GLU 38 1HB GLU 38 11.952 8.684 -0.083
275 HB3 GLU 38 2HB GLU 38 13.160 9.269 1.053
276 HG2 GLU 38 1HG GLU 38 10.222 9.192 1.673
277 HG3 GLU 38 2HG GLU 38 11.323 7.863 2.027
278 H LYS 39 H LYS 39 13.744 11.813 1.645
279 HA LYS 39 HA LYS 39 15.086 13.519 0.071
280 HB2 LYS 39 1HB LYS 39 17.109 13.038 1.315
281 HB3 LYS 39 2HB LYS 39 15.723 12.958 2.395
282 HG2 LYS 39 1HG LYS 39 15.912 10.705 2.700
283 HG3 LYS 39 2HG LYS 39 16.657 10.442 1.122
284 HD2 LYS 39 1HD LYS 39 18.172 12.043 3.111
285 HD3 LYS 39 2HD LYS 39 18.044 10.304 3.387
286 HE2 LYS 39 1HE LYS 39 19.912 10.306 2.095
287 HE3 LYS 39 2HE LYS 39 18.706 10.250 0.811
288 HZ1 LYS 39 3HZ LYS 39 19.733 12.050 0.031
289 HZ2 LYS 39 1HZ LYS 39 20.572 12.326 1.474
290 HZ3 LYS 39 2HZ LYS 39 18.993 12.904 1.290
291 HA PRO 40 HA PRO 40 16.659 11.422 -3.460
292 HB2 PRO 40 1HB PRO 40 18.759 13.037 -4.051
293 HB3 PRO 40 2HB PRO 40 17.078 13.505 -4.333
294 HG2 PRO 40 1HG PRO 40 18.893 14.234 -2.066
295 HG3 PRO 40 2HG PRO 40 17.765 15.260 -2.971
296 HD2 PRO 40 1HD PRO 40 17.173 14.243 -0.532
297 HD3 PRO 40 2HD PRO 40 15.937 14.522 -1.775
298 H SER 41 H SER 41 17.353 9.491 -2.396
299 HA SER 41 HA SER 41 20.094 9.428 -1.396
300 HB2 SER 41 1HB SER 41 19.585 7.277 -0.506
301 HB3 SER 41 2HB SER 41 18.165 8.278 -0.202
302 HG SER 41 HG SER 41 17.741 6.141 -1.093
303 H GLY 42 H GLY 42 18.099 7.994 -3.948
304 HA2 GLY 42 1HA GLY 42 20.498 7.591 -5.550
305 HA3 GLY 42 2HA GLY 42 19.594 6.141 -5.138
306 HA PRO 43 HA PRO 43 17.856 8.492 -8.927
307 HB2 PRO 43 1HB PRO 43 19.006 7.046 -10.916
308 HB3 PRO 43 2HB PRO 43 19.736 8.511 -10.248
309 HG2 PRO 43 1HG PRO 43 20.348 5.644 -9.643
310 HG3 PRO 43 2HG PRO 43 21.466 6.998 -9.894
311 HD2 PRO 43 1HD PRO 43 20.814 6.083 -7.430
312 HD3 PRO 43 2HD PRO 43 21.185 7.790 -7.747
313 H SER 44 H SER 44 15.965 7.434 -8.080
314 HA SER 44 HA SER 44 15.373 4.729 -8.257
315 HB2 SER 44 1HB SER 44 13.489 7.086 -8.506
316 HB3 SER 44 2HB SER 44 12.991 5.422 -8.199
317 HG SER 44 HG SER 44 14.841 5.984 -6.422
318 H SER 45 H SER 45 14.259 7.251 -10.524
319 HA SER 45 HA SER 45 13.658 7.162 -12.718
320 HB2 SER 45 1HB SER 45 15.804 5.027 -12.731
321 HB3 SER 45 2HB SER 45 15.082 5.719 -14.184
322 HG SER 45 HG SER 45 17.148 6.649 -13.205
323 H GLY 46 H GLY 46 11.960 5.774 -11.022
324 HA2 GLY 46 1HA GLY 46 11.420 3.130 -11.945
325 HA3 GLY 46 2HA GLY 46 10.354 4.124 -10.963
Start of MODEL 2
1 H1 GLY 1 H GLY 1 17.617 -8.587 -5.441
2 HA2 GLY 1 1HA GLY 1 16.111 -10.026 -4.318
3 HA3 GLY 1 2HA GLY 1 15.137 -9.359 -5.621
4 H SER 2 H SER 2 14.572 -10.642 -7.361
5 HA SER 2 HA SER 2 15.646 -13.197 -7.885
6 HB2 SER 2 1HB SER 2 14.046 -14.674 -6.980
7 HB3 SER 2 2HB SER 2 14.384 -13.546 -5.667
8 HG SER 2 HG SER 2 12.062 -13.994 -7.019
9 H SER 3 H SER 3 14.485 -14.333 -9.581
10 HA SER 3 HA SER 3 13.314 -12.498 -11.446
11 HB2 SER 3 1HB SER 3 13.379 -14.303 -13.017
12 HB3 SER 3 2HB SER 3 14.853 -14.412 -12.054
13 HG SER 3 HG SER 3 13.838 -16.039 -10.819
14 H GLY 4 H GLY 4 11.224 -12.392 -12.182
15 HA2 GLY 4 1HA GLY 4 9.238 -13.774 -10.503
16 HA3 GLY 4 2HA GLY 4 8.968 -12.260 -11.353
17 H SER 5 H SER 5 7.083 -14.129 -11.635
18 HA SER 5 HA SER 5 7.256 -14.756 -14.456
19 HB2 SER 5 1HB SER 5 8.218 -16.749 -13.205
20 HB3 SER 5 2HB SER 5 6.606 -16.993 -12.533
21 HG SER 5 HG SER 5 5.851 -17.136 -14.723
22 H SER 6 H SER 6 5.181 -15.442 -15.351
23 HA SER 6 HA SER 6 2.925 -14.495 -13.706
24 HB2 SER 6 1HB SER 6 3.417 -14.231 -16.676
25 HB3 SER 6 2HB SER 6 1.852 -13.913 -15.928
26 HG SER 6 HG SER 6 4.296 -12.607 -15.305
27 H GLY 7 H GLY 7 2.170 -16.420 -12.925
28 HA2 GLY 7 1HA GLY 7 0.611 -18.023 -14.703
29 HA3 GLY 7 2HA GLY 7 2.056 -18.872 -14.174
30 H ALA 8 H ALA 8 2.232 -17.919 -11.553
31 HA ALA 8 HA ALA 8 -0.264 -18.923 -10.349
32 HB1 ALA 8 3HB ALA 8 0.799 -20.496 -9.157
33 HB2 ALA 8 1HB ALA 8 2.073 -20.317 -10.364
34 HB3 ALA 8 2HB ALA 8 2.184 -19.455 -8.829
35 H GLY 9 H GLY 9 -0.786 -16.624 -10.159
36 HA2 GLY 9 1HA GLY 9 0.330 -15.535 -7.675
37 HA3 GLY 9 2HA GLY 9 0.346 -14.517 -9.108
38 H LYS 10 H LYS 10 -1.049 -14.239 -6.495
39 HA LYS 10 HA LYS 10 -3.797 -14.016 -7.540
40 HB2 LYS 10 1HB LYS 10 -4.623 -14.347 -5.265
41 HB3 LYS 10 2HB LYS 10 -3.650 -15.718 -5.780
42 HG2 LYS 10 1HG LYS 10 -2.780 -15.444 -3.711
43 HG3 LYS 10 2HG LYS 10 -1.740 -14.313 -4.579
44 HD2 LYS 10 1HD LYS 10 -2.414 -13.015 -2.804
45 HD3 LYS 10 2HD LYS 10 -3.641 -12.602 -4.004
46 HE2 LYS 10 1HE LYS 10 -4.051 -14.828 -2.032
47 HE3 LYS 10 2HE LYS 10 -4.418 -13.153 -1.621
48 HZ1 LYS 10 3HZ LYS 10 -5.815 -13.162 -3.723
49 HZ2 LYS 10 1HZ LYS 10 -6.414 -14.037 -2.405
50 HZ3 LYS 10 2HZ LYS 10 -5.675 -14.848 -3.692
51 H LYS 11 H LYS 11 -1.281 -12.581 -5.540
52 HA LYS 11 HA LYS 11 -2.406 -10.390 -4.449
53 HB2 LYS 11 1HB LYS 11 0.132 -11.138 -4.795
54 HB3 LYS 11 2HB LYS 11 0.075 -9.868 -6.010
55 HG2 LYS 11 1HG LYS 11 0.730 -8.617 -4.246
56 HG3 LYS 11 2HG LYS 11 -1.014 -8.528 -3.987
57 HD2 LYS 11 1HD LYS 11 0.515 -10.777 -2.763
58 HD3 LYS 11 2HD LYS 11 0.615 -9.176 -2.026
59 HE2 LYS 11 1HE LYS 11 -1.903 -10.749 -2.562
60 HE3 LYS 11 2HE LYS 11 -1.151 -10.486 -0.990
61 HZ1 LYS 11 3HZ LYS 11 -2.359 -8.655 -0.815
62 HZ2 LYS 11 1HZ LYS 11 -2.961 -8.829 -2.386
63 HZ3 LYS 11 2HZ LYS 11 -1.520 -7.985 -2.122
64 H LEU 12 H LEU 12 -2.530 -8.120 -5.129
65 HA LEU 12 HA LEU 12 -3.104 -7.803 -7.996
66 HB2 LEU 12 1HB LEU 12 -4.871 -6.085 -6.905
67 HB3 LEU 12 2HB LEU 12 -5.263 -7.730 -7.400
68 HG LEU 12 HG LEU 12 -6.202 -7.175 -5.206
69 HD11 LEU 12 1HD1 LEU 12 -4.278 -9.080 -4.240
70 HD12 LEU 12 2HD1 LEU 12 -4.735 -9.448 -5.903
71 HD13 LEU 12 3HD1 LEU 12 -5.976 -9.311 -4.658
72 HD21 LEU 12 3HD2 LEU 12 -3.930 -5.770 -4.768
73 HD22 LEU 12 1HD2 LEU 12 -3.595 -7.237 -3.848
74 HD23 LEU 12 2HD2 LEU 12 -5.039 -6.287 -3.498
75 H PHE 13 H PHE 13 -2.087 -6.374 -4.970
76 HA PHE 13 HA PHE 13 -0.856 -4.182 -6.487
77 HB2 PHE 13 1HB PHE 13 -1.993 -3.687 -3.752
78 HB3 PHE 13 2HB PHE 13 -1.589 -2.523 -5.010
79 HD1 PHE 13 HD2 PHE 13 -2.960 -3.401 -7.343
80 HD2 PHE 13 HD1 PHE 13 -4.233 -3.580 -3.286
81 HE1 PHE 13 HE2 PHE 13 -5.307 -3.386 -8.083
82 HE2 PHE 13 HE1 PHE 13 -6.582 -3.565 -4.019
83 HZ PHE 13 HZ PHE 13 -7.122 -3.467 -6.420
84 H LYS 14 H LYS 14 1.262 -4.420 -6.272
85 HA LYS 14 HA LYS 14 2.346 -4.997 -3.601
86 HB2 LYS 14 1HB LYS 14 3.925 -6.549 -4.450
87 HB3 LYS 14 2HB LYS 14 2.370 -7.020 -5.124
88 HG2 LYS 14 1HG LYS 14 3.627 -7.166 -7.002
89 HG3 LYS 14 2HG LYS 14 3.184 -5.460 -7.108
90 HD2 LYS 14 1HD LYS 14 5.519 -5.579 -7.508
91 HD3 LYS 14 2HD LYS 14 5.323 -4.950 -5.870
92 HE2 LYS 14 1HE LYS 14 6.916 -6.529 -5.468
93 HE3 LYS 14 2HE LYS 14 5.475 -7.523 -5.263
94 HZ1 LYS 14 3HZ LYS 14 5.990 -7.670 -7.929
95 HZ2 LYS 14 1HZ LYS 14 6.389 -8.846 -6.780
96 HZ3 LYS 14 2HZ LYS 14 7.536 -7.694 -7.243
97 H CYS 15 H CYS 15 4.379 -4.089 -3.146
98 HA CYS 15 HA CYS 15 5.046 -1.805 -4.860
99 HB2 CYS 15 1HB CYS 15 4.531 -1.387 -2.460
100 HB3 CYS 15 2HB CYS 15 5.922 -2.373 -2.021
101 H ASN 16 H ASN 16 6.736 -1.947 -6.165
102 HA ASN 16 HA ASN 16 8.641 -4.104 -5.873
103 HB2 ASN 16 1HB ASN 16 8.506 -1.897 -7.940
104 HB3 ASN 16 2HB ASN 16 9.530 -3.327 -8.022
105 HD21 ASN 16 1HD2 ASN 16 8.622 -5.312 -8.504
106 HD22 ASN 16 2HD2 ASN 16 7.025 -5.468 -9.145
107 H GLU 17 H GLU 17 8.546 -1.846 -3.923
108 HA GLU 17 HA GLU 17 11.327 -0.921 -4.237
109 HB2 GLU 17 1HB GLU 17 9.246 0.506 -2.596
110 HB3 GLU 17 2HB GLU 17 10.792 1.117 -3.166
111 HG2 GLU 17 1HG GLU 17 9.695 0.651 -5.525
112 HG3 GLU 17 2HG GLU 17 8.210 0.851 -4.596
113 H CYS 18 H CYS 18 8.833 -1.817 -1.874
114 HA CYS 18 HA CYS 18 10.982 -2.778 -0.106
115 HB2 CYS 18 1HB CYS 18 9.660 -2.085 1.837
116 HB3 CYS 18 2HB CYS 18 10.034 -0.706 0.808
117 H LYS 19 H LYS 19 9.031 -3.988 -2.130
118 HA LYS 19 HA LYS 19 7.643 -5.797 -2.333
119 HB2 LYS 19 1HB LYS 19 9.238 -6.898 -0.023
120 HB3 LYS 19 2HB LYS 19 8.493 -7.791 -1.342
121 HG2 LYS 19 1HG LYS 19 10.829 -5.904 -1.580
122 HG3 LYS 19 2HG LYS 19 10.903 -7.667 -1.615
123 HD2 LYS 19 1HD LYS 19 9.206 -7.420 -3.580
124 HD3 LYS 19 2HD LYS 19 9.828 -5.770 -3.662
125 HE2 LYS 19 1HE LYS 19 12.134 -6.752 -3.785
126 HE3 LYS 19 2HE LYS 19 11.380 -8.337 -3.945
127 HZ1 LYS 19 3HZ LYS 19 11.723 -7.714 -6.122
128 HZ2 LYS 19 1HZ LYS 19 11.371 -6.083 -5.840
129 HZ3 LYS 19 2HZ LYS 19 10.122 -7.223 -5.883
130 H LYS 20 H LYS 20 6.188 -4.008 -1.096
131 HA LYS 20 HA LYS 20 4.958 -5.424 1.178
132 HB2 LYS 20 1HB LYS 20 6.030 -3.182 1.681
133 HB3 LYS 20 2HB LYS 20 4.793 -2.454 0.665
134 HG2 LYS 20 1HG LYS 20 3.864 -2.211 2.742
135 HG3 LYS 20 2HG LYS 20 3.153 -3.745 2.234
136 HD2 LYS 20 1HD LYS 20 3.875 -4.211 4.388
137 HD3 LYS 20 2HD LYS 20 5.213 -4.803 3.400
138 HE2 LYS 20 1HE LYS 20 6.388 -3.596 4.936
139 HE3 LYS 20 2HE LYS 20 6.085 -2.330 3.747
140 HZ1 LYS 20 3HZ LYS 20 5.515 -1.389 5.788
141 HZ2 LYS 20 1HZ LYS 20 4.722 -2.782 6.331
142 HZ3 LYS 20 2HZ LYS 20 4.025 -1.830 5.120
143 H THR 21 H THR 21 2.649 -5.296 1.354
144 HA THR 21 HA THR 21 1.228 -4.486 -1.079
145 HB THR 21 HB THR 21 -0.154 -6.611 -0.886
146 HG1 THR 21 HG1 THR 21 1.206 -6.992 1.257
147 HG21 THR 21 3HG2 THR 21 1.055 -6.960 -2.735
148 HG22 THR 21 1HG2 THR 21 2.137 -7.921 -1.727
149 HG23 THR 21 2HG2 THR 21 2.491 -6.219 -2.028
150 H PHE 22 H PHE 22 -1.166 -4.491 -0.754
151 HA PHE 22 HA PHE 22 -2.035 -4.271 2.017
152 HB2 PHE 22 1HB PHE 22 -2.325 -1.985 0.056
153 HB3 PHE 22 2HB PHE 22 -2.998 -2.037 1.682
154 HD1 PHE 22 HD1 PHE 22 0.108 -1.821 -0.276
155 HD2 PHE 22 HD2 PHE 22 -1.656 -1.578 3.590
156 HE1 PHE 22 HE1 PHE 22 2.186 -0.841 0.607
157 HE2 PHE 22 HE2 PHE 22 0.418 -0.598 4.479
158 HZ PHE 22 HZ PHE 22 2.342 -0.227 2.987
159 H THR 23 H THR 23 -4.067 -4.970 2.291
160 HA THR 23 HA THR 23 -5.481 -6.496 0.633
161 HB THR 23 HB THR 23 -6.810 -4.437 2.405
162 HG1 THR 23 HG1 THR 23 -6.313 -7.089 3.194
163 HG21 THR 23 3HG2 THR 23 -8.445 -6.472 2.599
164 HG22 THR 23 1HG2 THR 23 -7.747 -6.928 1.045
165 HG23 THR 23 2HG2 THR 23 -8.560 -5.373 1.224
166 H GLN 24 H GLN 24 -5.523 -2.970 0.569
167 HA GLN 24 HA GLN 24 -7.074 -3.101 -1.933
168 HB2 GLN 24 1HB GLN 24 -6.948 -0.840 0.070
169 HB3 GLN 24 2HB GLN 24 -7.863 -0.826 -1.432
170 HG2 GLN 24 1HG GLN 24 -8.327 -2.583 0.963
171 HG3 GLN 24 2HG GLN 24 -9.352 -1.272 0.382
172 HE21 GLN 24 1HE2 GLN 24 -9.738 -1.642 -2.158
173 HE22 GLN 24 2HE2 GLN 24 -10.408 -3.194 -2.514
174 H SER 25 H SER 25 -6.684 -0.967 -3.246
175 HA SER 25 HA SER 25 -3.839 -0.907 -3.797
176 HB2 SER 25 1HB SER 25 -5.693 -1.041 -5.564
177 HB3 SER 25 2HB SER 25 -5.960 0.673 -5.247
178 HG SER 25 HG SER 25 -4.369 1.009 -6.562
179 H SER 26 H SER 26 -6.386 1.430 -2.972
180 HA SER 26 HA SER 26 -5.077 3.794 -2.995
181 HB2 SER 26 1HB SER 26 -6.544 4.564 -1.225
182 HB3 SER 26 2HB SER 26 -7.441 3.458 -2.266
183 HG SER 26 HG SER 26 -7.634 2.108 -0.659
184 H SER 27 H SER 27 -4.818 1.324 -0.475
185 HA SER 27 HA SER 27 -3.222 2.751 1.324
186 HB2 SER 27 1HB SER 27 -3.308 -0.225 0.779
187 HB3 SER 27 2HB SER 27 -2.540 0.518 2.181
188 HG SER 27 HG SER 27 -4.751 -0.244 2.492
189 H LEU 28 H LEU 28 -2.346 0.747 -1.454
190 HA LEU 28 HA LEU 28 0.450 0.846 -1.054
191 HB2 LEU 28 1HB LEU 28 -0.423 -0.846 -2.462
192 HB3 LEU 28 2HB LEU 28 -1.253 0.332 -3.477
193 HG LEU 28 HG LEU 28 0.889 1.098 -4.359
194 HD11 LEU 28 1HD1 LEU 28 2.037 -0.975 -2.502
195 HD12 LEU 28 2HD1 LEU 28 2.344 0.761 -2.501
196 HD13 LEU 28 3HD1 LEU 28 2.933 -0.237 -3.830
197 HD21 LEU 28 3HD2 LEU 28 1.589 -1.159 -5.398
198 HD22 LEU 28 1HD2 LEU 28 -0.038 -0.551 -5.706
199 HD23 LEU 28 2HD2 LEU 28 0.217 -1.817 -4.505
200 H THR 29 H THR 29 -1.713 2.752 -3.135
201 HA THR 29 HA THR 29 0.168 4.374 -4.358
202 HB THR 29 HB THR 29 -2.628 5.140 -3.496
203 HG1 THR 29 HG1 THR 29 -2.692 4.701 -6.001
204 HG21 THR 29 3HG2 THR 29 -0.723 6.868 -4.348
205 HG22 THR 29 1HG2 THR 29 -2.448 7.075 -4.649
206 HG23 THR 29 2HG2 THR 29 -1.416 6.360 -5.888
207 H VAL 30 H VAL 30 -1.762 5.225 -1.475
208 HA VAL 30 HA VAL 30 -0.412 7.587 -0.861
209 HB VAL 30 HB VAL 30 -2.581 6.871 0.142
210 HG11 VAL 30 1HG1 VAL 30 -2.673 5.336 1.947
211 HG12 VAL 30 2HG1 VAL 30 -1.771 4.539 0.657
212 HG13 VAL 30 3HG1 VAL 30 -0.915 5.229 2.036
213 HG21 VAL 30 3HG2 VAL 30 -1.775 7.564 2.577
214 HG22 VAL 30 1HG2 VAL 30 -0.300 7.960 1.695
215 HG23 VAL 30 2HG2 VAL 30 -1.828 8.717 1.244
216 H HIS 31 H HIS 31 0.492 4.290 -0.356
217 HA HIS 31 HA HIS 31 2.506 4.905 1.629
218 HB2 HIS 31 1HB HIS 31 1.766 2.778 2.041
219 HB3 HIS 31 2HB HIS 31 1.450 2.443 0.341
220 HD1 HIS 31 HD1 HIS 31 4.089 2.207 2.952
221 HD2 HIS 31 HD2 HIS 31 3.657 1.453 -1.111
222 HE1 HIS 31 HE1 HIS 31 6.105 0.851 2.301
223 H GLN 32 H GLN 32 2.287 4.531 -1.814
224 HA GLN 32 HA GLN 32 5.070 4.127 -2.292
225 HB2 GLN 32 1HB GLN 32 2.977 3.697 -3.829
226 HB3 GLN 32 2HB GLN 32 3.266 5.356 -4.336
227 HG2 GLN 32 1HG GLN 32 4.502 4.258 -5.890
228 HG3 GLN 32 2HG GLN 32 5.727 4.478 -4.642
229 HE21 GLN 32 1HE2 GLN 32 3.080 2.183 -5.230
230 HE22 GLN 32 2HE2 GLN 32 4.038 0.762 -5.014
231 H ARG 33 H ARG 33 2.943 6.949 -2.258
232 HA ARG 33 HA ARG 33 4.518 8.904 -3.312
233 HB2 ARG 33 1HB ARG 33 3.238 10.467 -2.143
234 HB3 ARG 33 2HB ARG 33 2.182 9.064 -2.228
235 HG2 ARG 33 1HG ARG 33 2.953 8.447 0.067
236 HG3 ARG 33 2HG ARG 33 3.798 9.995 0.130
237 HD2 ARG 33 1HD ARG 33 0.901 9.930 -0.585
238 HD3 ARG 33 2HD ARG 33 1.379 9.755 1.103
239 HE ARG 33 HE ARG 33 1.364 12.151 -0.415
240 HH11 ARG 33 1HH1 ARG 33 3.129 10.466 2.068
241 HH12 ARG 33 2HH1 ARG 33 3.748 11.913 2.793
242 HH21 ARG 33 1HH2 ARG 33 2.173 14.063 0.530
243 HH22 ARG 33 2HH2 ARG 33 3.203 13.959 1.917
244 H ILE 34 H ILE 34 5.108 7.100 -0.447
245 HA ILE 34 HA ILE 34 6.861 8.949 0.831
246 HB ILE 34 HB ILE 34 6.410 5.993 1.160
247 HG12 ILE 34 1HG1 ILE 34 5.882 7.071 3.548
248 HG13 ILE 34 2HG1 ILE 34 5.595 8.495 2.554
249 HG21 ILE 34 1HG2 ILE 34 7.933 6.022 3.059
250 HG22 ILE 34 2HG2 ILE 34 8.780 6.441 1.571
251 HG23 ILE 34 3HG2 ILE 34 8.342 7.704 2.720
252 HD11 ILE 34 3HD1 ILE 34 4.119 6.866 1.157
253 HD12 ILE 34 1HD1 ILE 34 4.118 5.914 2.641
254 HD13 ILE 34 2HD1 ILE 34 3.505 7.568 2.654
255 H HIS 35 H HIS 35 7.371 6.112 -1.242
256 HA HIS 35 HA HIS 35 10.200 6.237 -1.198
257 HB2 HIS 35 1HB HIS 35 8.464 5.047 -3.368
258 HB3 HIS 35 2HB HIS 35 10.136 4.634 -3.000
259 HD1 HIS 35 HD1 HIS 35 10.139 4.027 -0.100
260 HD2 HIS 35 HD2 HIS 35 6.968 2.955 -2.561
261 HE1 HIS 35 HE1 HIS 35 8.973 2.142 1.088
262 H THR 36 H THR 36 7.748 7.648 -3.290
263 HA THR 36 HA THR 36 9.524 8.602 -5.285
264 HB THR 36 HB THR 36 7.698 9.905 -6.119
265 HG1 THR 36 HG1 THR 36 6.512 9.474 -3.563
266 HG21 THR 36 3HG2 THR 36 5.827 8.222 -6.090
267 HG22 THR 36 1HG2 THR 36 6.775 7.291 -4.931
268 HG23 THR 36 2HG2 THR 36 7.401 7.577 -6.555
269 H GLY 37 H GLY 37 8.124 10.086 -2.381
270 HA2 GLY 37 1HA GLY 37 9.362 12.632 -2.846
271 HA3 GLY 37 2HA GLY 37 8.547 12.120 -1.374
272 H GLU 38 H GLU 38 10.139 9.798 -0.890
273 HA GLU 38 HA GLU 38 12.329 11.038 0.461
274 HB2 GLU 38 1HB GLU 38 11.539 8.144 0.120
275 HB3 GLU 38 2HB GLU 38 12.901 8.669 1.099
276 HG2 GLU 38 1HG GLU 38 10.054 9.536 1.539
277 HG3 GLU 38 2HG GLU 38 10.845 8.214 2.396
278 H LYS 39 H LYS 39 14.524 9.712 0.334
279 HA LYS 39 HA LYS 39 15.341 9.826 -2.487
280 HB2 LYS 39 1HB LYS 39 17.622 10.172 -1.626
281 HB3 LYS 39 2HB LYS 39 16.506 11.397 -1.038
282 HG2 LYS 39 1HG LYS 39 17.592 10.926 0.897
283 HG3 LYS 39 2HG LYS 39 16.304 9.723 0.998
284 HD2 LYS 39 1HD LYS 39 17.714 7.976 0.550
285 HD3 LYS 39 2HD LYS 39 18.822 8.971 -0.397
286 HE2 LYS 39 1HE LYS 39 19.928 8.357 1.632
287 HE3 LYS 39 2HE LYS 39 19.531 10.072 1.725
288 HZ1 LYS 39 3HZ LYS 39 18.700 7.940 3.416
289 HZ2 LYS 39 1HZ LYS 39 17.365 8.778 2.801
290 HZ3 LYS 39 2HZ LYS 39 18.567 9.609 3.653
291 HA PRO 40 HA PRO 40 16.234 5.529 -2.626
292 HB2 PRO 40 1HB PRO 40 18.358 5.497 -4.316
293 HB3 PRO 40 2HB PRO 40 16.707 5.824 -4.854
294 HG2 PRO 40 1HG PRO 40 18.923 7.748 -4.263
295 HG3 PRO 40 2HG PRO 40 17.770 7.750 -5.610
296 HD2 PRO 40 1HD PRO 40 17.481 9.346 -3.442
297 HD3 PRO 40 2HD PRO 40 16.095 8.694 -4.338
298 H SER 41 H SER 41 16.930 4.906 -0.607
299 HA SER 41 HA SER 41 19.843 4.991 -0.171
300 HB2 SER 41 1HB SER 41 19.007 6.501 1.439
301 HB3 SER 41 2HB SER 41 17.610 5.483 1.793
302 HG SER 41 HG SER 41 20.051 4.285 2.231
303 H GLY 42 H GLY 42 20.405 2.952 -0.714
304 HA2 GLY 42 1HA GLY 42 20.418 0.819 0.838
305 HA3 GLY 42 2HA GLY 42 18.777 0.711 0.219
306 HA PRO 43 HA PRO 43 21.723 -1.542 -2.631
307 HB2 PRO 43 1HB PRO 43 20.419 -3.922 -2.544
308 HB3 PRO 43 2HB PRO 43 21.681 -3.475 -1.390
309 HG2 PRO 43 1HG PRO 43 18.705 -3.366 -1.080
310 HG3 PRO 43 2HG PRO 43 19.931 -3.922 0.075
311 HD2 PRO 43 1HD PRO 43 18.788 -1.471 0.228
312 HD3 PRO 43 2HD PRO 43 20.462 -1.778 0.734
313 H SER 44 H SER 44 20.641 0.025 -4.088
314 HA SER 44 HA SER 44 18.100 -0.565 -5.224
315 HB2 SER 44 1HB SER 44 18.534 1.230 -6.739
316 HB3 SER 44 2HB SER 44 19.244 1.700 -5.195
317 HG SER 44 HG SER 44 20.542 0.781 -7.530
318 H SER 45 H SER 45 17.967 -0.768 -7.726
319 HA SER 45 HA SER 45 18.079 -2.263 -9.448
320 HB2 SER 45 1HB SER 45 21.033 -1.845 -8.930
321 HB3 SER 45 2HB SER 45 20.364 -2.585 -10.384
322 HG SER 45 HG SER 45 19.933 -0.670 -11.114
323 H GLY 46 H GLY 46 17.608 -3.515 -7.014
324 HA2 GLY 46 1HA GLY 46 18.717 -6.151 -7.587
325 HA3 GLY 46 2HA GLY 46 19.053 -5.492 -5.993
Start of MODEL 3
1 H1 GLY 1 H GLY 1 -4.202 -33.656 -4.561
2 HA2 GLY 1 1HA GLY 1 -6.480 -32.269 -4.942
3 HA3 GLY 1 2HA GLY 1 -6.300 -32.199 -3.196
4 H SER 2 H SER 2 -6.050 -30.227 -5.557
5 HA SER 2 HA SER 2 -3.505 -29.045 -4.658
6 HB2 SER 2 1HB SER 2 -3.311 -28.042 -6.943
7 HB3 SER 2 2HB SER 2 -3.203 -29.803 -6.935
8 HG SER 2 HG SER 2 -5.179 -28.143 -7.960
9 H SER 3 H SER 3 -4.380 -27.665 -3.160
10 HA SER 3 HA SER 3 -6.683 -26.062 -3.670
11 HB2 SER 3 1HB SER 3 -5.872 -26.761 -1.387
12 HB3 SER 3 2HB SER 3 -4.563 -25.592 -1.564
13 HG SER 3 HG SER 3 -6.983 -25.131 -0.682
14 H GLY 4 H GLY 4 -3.218 -25.257 -3.371
15 HA2 GLY 4 1HA GLY 4 -3.481 -23.262 -5.454
16 HA3 GLY 4 2HA GLY 4 -3.169 -22.606 -3.853
17 H SER 5 H SER 5 -1.925 -25.494 -5.519
18 HA SER 5 HA SER 5 0.786 -24.630 -4.818
19 HB2 SER 5 1HB SER 5 1.461 -26.916 -5.130
20 HB3 SER 5 2HB SER 5 -0.019 -26.927 -4.171
21 HG SER 5 HG SER 5 0.461 -27.986 -6.629
22 H SER 6 H SER 6 -0.392 -23.210 -6.884
23 HA SER 6 HA SER 6 1.032 -24.230 -9.255
24 HB2 SER 6 1HB SER 6 -1.334 -22.344 -9.243
25 HB3 SER 6 2HB SER 6 -0.576 -23.084 -10.652
26 HG SER 6 HG SER 6 -1.267 -25.007 -8.938
27 H GLY 7 H GLY 7 2.488 -22.932 -10.254
28 HA2 GLY 7 1HA GLY 7 3.418 -20.626 -8.812
29 HA3 GLY 7 2HA GLY 7 4.107 -21.281 -10.290
30 H ALA 8 H ALA 8 1.797 -19.061 -8.932
31 HA ALA 8 HA ALA 8 1.872 -17.457 -11.317
32 HB1 ALA 8 3HB ALA 8 -0.903 -17.696 -10.874
33 HB2 ALA 8 1HB ALA 8 0.019 -18.172 -12.300
34 HB3 ALA 8 2HB ALA 8 -0.256 -19.332 -11.000
35 H GLY 9 H GLY 9 1.589 -15.345 -10.843
36 HA2 GLY 9 1HA GLY 9 1.482 -14.518 -8.142
37 HA3 GLY 9 2HA GLY 9 1.370 -13.464 -9.544
38 H LYS 10 H LYS 10 -0.219 -14.467 -6.847
39 HA LYS 10 HA LYS 10 -2.896 -14.210 -8.006
40 HB2 LYS 10 1HB LYS 10 -3.655 -14.866 -5.704
41 HB3 LYS 10 2HB LYS 10 -2.687 -16.079 -6.531
42 HG2 LYS 10 1HG LYS 10 -0.800 -15.632 -5.195
43 HG3 LYS 10 2HG LYS 10 -1.502 -14.137 -4.571
44 HD2 LYS 10 1HD LYS 10 -3.220 -15.426 -3.406
45 HD3 LYS 10 2HD LYS 10 -2.540 -16.923 -4.046
46 HE2 LYS 10 1HE LYS 10 -0.704 -16.836 -2.674
47 HE3 LYS 10 2HE LYS 10 -0.757 -15.079 -2.536
48 HZ1 LYS 10 3HZ LYS 10 -1.405 -15.982 -0.459
49 HZ2 LYS 10 1HZ LYS 10 -2.510 -17.044 -1.174
50 HZ3 LYS 10 2HZ LYS 10 -2.811 -15.380 -1.181
51 H LYS 11 H LYS 11 -0.644 -12.601 -5.870
52 HA LYS 11 HA LYS 11 -2.179 -10.806 -4.512
53 HB2 LYS 11 1HB LYS 11 0.478 -11.096 -4.880
54 HB3 LYS 11 2HB LYS 11 0.206 -9.641 -5.829
55 HG2 LYS 11 1HG LYS 11 0.784 -8.889 -3.689
56 HG3 LYS 11 2HG LYS 11 -0.969 -8.703 -3.786
57 HD2 LYS 11 1HD LYS 11 -0.892 -11.160 -2.770
58 HD3 LYS 11 2HD LYS 11 0.662 -10.581 -2.165
59 HE2 LYS 11 1HE LYS 11 -0.948 -10.110 -0.487
60 HE3 LYS 11 2HE LYS 11 -0.558 -8.576 -1.263
61 HZ1 LYS 11 3HZ LYS 11 -3.021 -10.172 -1.449
62 HZ2 LYS 11 1HZ LYS 11 -2.598 -9.142 -2.722
63 HZ3 LYS 11 2HZ LYS 11 -2.839 -8.514 -1.171
64 H LEU 12 H LEU 12 -2.408 -8.405 -4.966
65 HA LEU 12 HA LEU 12 -3.103 -7.915 -7.780
66 HB2 LEU 12 1HB LEU 12 -4.965 -6.436 -6.508
67 HB3 LEU 12 2HB LEU 12 -5.243 -8.061 -7.131
68 HG LEU 12 HG LEU 12 -6.157 -7.768 -4.878
69 HD11 LEU 12 1HD1 LEU 12 -3.972 -9.577 -4.223
70 HD12 LEU 12 2HD1 LEU 12 -4.663 -9.873 -5.818
71 HD13 LEU 12 3HD1 LEU 12 -5.699 -9.895 -4.391
72 HD21 LEU 12 3HD2 LEU 12 -4.000 -6.218 -4.372
73 HD22 LEU 12 1HD2 LEU 12 -3.511 -7.723 -3.594
74 HD23 LEU 12 2HD2 LEU 12 -5.018 -6.938 -3.124
75 H PHE 13 H PHE 13 -2.114 -6.652 -4.671
76 HA PHE 13 HA PHE 13 -1.143 -4.234 -6.032
77 HB2 PHE 13 1HB PHE 13 -2.149 -4.130 -3.202
78 HB3 PHE 13 2HB PHE 13 -1.897 -2.804 -4.333
79 HD1 PHE 13 HD2 PHE 13 -3.314 -3.618 -6.704
80 HD2 PHE 13 HD1 PHE 13 -4.371 -4.151 -2.615
81 HE1 PHE 13 HE2 PHE 13 -5.691 -3.703 -7.333
82 HE2 PHE 13 HE1 PHE 13 -6.750 -4.238 -3.239
83 HZ PHE 13 HZ PHE 13 -7.412 -4.013 -5.600
84 H LYS 14 H LYS 14 0.999 -4.424 -6.013
85 HA LYS 14 HA LYS 14 2.314 -5.023 -3.455
86 HB2 LYS 14 1HB LYS 14 3.888 -6.489 -4.462
87 HB3 LYS 14 2HB LYS 14 2.302 -7.022 -5.003
88 HG2 LYS 14 1HG LYS 14 2.650 -6.321 -7.164
89 HG3 LYS 14 2HG LYS 14 3.859 -5.123 -6.694
90 HD2 LYS 14 1HD LYS 14 4.336 -8.077 -6.400
91 HD3 LYS 14 2HD LYS 14 4.692 -7.214 -7.897
92 HE2 LYS 14 1HE LYS 14 5.991 -5.595 -6.312
93 HE3 LYS 14 2HE LYS 14 5.975 -6.971 -5.210
94 HZ1 LYS 14 3HZ LYS 14 7.773 -7.651 -6.301
95 HZ2 LYS 14 1HZ LYS 14 7.545 -6.547 -7.563
96 HZ3 LYS 14 2HZ LYS 14 6.751 -8.040 -7.592
97 H CYS 15 H CYS 15 4.246 -3.951 -3.080
98 HA CYS 15 HA CYS 15 4.716 -1.650 -4.824
99 HB2 CYS 15 1HB CYS 15 4.390 -1.086 -2.508
100 HB3 CYS 15 2HB CYS 15 5.595 -2.265 -1.999
101 H ASN 16 H ASN 16 6.328 -1.674 -6.232
102 HA ASN 16 HA ASN 16 8.324 -3.758 -6.148
103 HB2 ASN 16 1HB ASN 16 7.382 -3.157 -8.300
104 HB3 ASN 16 2HB ASN 16 7.874 -1.479 -8.086
105 HD21 ASN 16 1HD2 ASN 16 9.669 -0.908 -9.061
106 HD22 ASN 16 2HD2 ASN 16 10.954 -1.962 -9.532
107 H GLU 17 H GLU 17 8.479 -2.011 -3.942
108 HA GLU 17 HA GLU 17 11.152 -0.880 -4.392
109 HB2 GLU 17 1HB GLU 17 9.110 0.477 -2.640
110 HB3 GLU 17 2HB GLU 17 10.659 1.105 -3.184
111 HG2 GLU 17 1HG GLU 17 9.559 0.782 -5.559
112 HG3 GLU 17 2HG GLU 17 8.072 0.921 -4.624
113 H CYS 18 H CYS 18 8.748 -1.969 -2.030
114 HA CYS 18 HA CYS 18 10.946 -3.031 -0.397
115 HB2 CYS 18 1HB CYS 18 9.753 -2.353 1.655
116 HB3 CYS 18 2HB CYS 18 10.225 -0.966 0.679
117 H LYS 19 H LYS 19 8.811 -4.055 -2.326
118 HA LYS 19 HA LYS 19 7.330 -5.786 -2.510
119 HB2 LYS 19 1HB LYS 19 8.913 -7.033 -0.268
120 HB3 LYS 19 2HB LYS 19 8.097 -7.843 -1.599
121 HG2 LYS 19 1HG LYS 19 10.524 -6.076 -1.839
122 HG3 LYS 19 2HG LYS 19 10.514 -7.840 -1.896
123 HD2 LYS 19 1HD LYS 19 8.857 -7.561 -3.843
124 HD3 LYS 19 2HD LYS 19 9.408 -5.884 -3.887
125 HE2 LYS 19 1HE LYS 19 11.648 -6.552 -4.336
126 HE3 LYS 19 2HE LYS 19 11.275 -8.243 -4.008
127 HZ1 LYS 19 3HZ LYS 19 9.634 -7.116 -6.071
128 HZ2 LYS 19 1HZ LYS 19 10.544 -8.542 -6.074
129 HZ3 LYS 19 2HZ LYS 19 11.281 -7.069 -6.455
130 H LYS 20 H LYS 20 6.044 -3.922 -1.182
131 HA LYS 20 HA LYS 20 4.884 -5.228 1.189
132 HB2 LYS 20 1HB LYS 20 5.931 -2.896 1.382
133 HB3 LYS 20 2HB LYS 20 4.552 -2.325 0.454
134 HG2 LYS 20 1HG LYS 20 3.737 -1.974 2.535
135 HG3 LYS 20 2HG LYS 20 3.226 -3.651 2.333
136 HD2 LYS 20 1HD LYS 20 5.862 -2.906 3.576
137 HD3 LYS 20 2HD LYS 20 4.379 -3.058 4.522
138 HE2 LYS 20 1HE LYS 20 4.213 -5.379 3.325
139 HE3 LYS 20 2HE LYS 20 5.945 -5.157 3.088
140 HZ1 LYS 20 3HZ LYS 20 6.084 -6.085 5.105
141 HZ2 LYS 20 1HZ LYS 20 4.475 -5.746 5.504
142 HZ3 LYS 20 2HZ LYS 20 5.661 -4.554 5.686
143 H THR 21 H THR 21 2.593 -5.177 1.456
144 HA THR 21 HA THR 21 1.040 -4.611 -0.969
145 HB THR 21 HB THR 21 -0.262 -6.717 -0.602
146 HG1 THR 21 HG1 THR 21 1.454 -6.878 1.520
147 HG21 THR 21 3HG2 THR 21 1.090 -7.100 -2.379
148 HG22 THR 21 1HG2 THR 21 1.899 -8.193 -1.256
149 HG23 THR 21 2HG2 THR 21 2.540 -6.572 -1.525
150 H PHE 22 H PHE 22 -1.231 -4.312 -0.602
151 HA PHE 22 HA PHE 22 -2.036 -3.962 2.192
152 HB2 PHE 22 1HB PHE 22 -2.454 -1.839 0.079
153 HB3 PHE 22 2HB PHE 22 -2.933 -1.747 1.771
154 HD1 PHE 22 HD1 PHE 22 -0.034 -1.850 -0.512
155 HD2 PHE 22 HD2 PHE 22 -1.416 -1.053 3.435
156 HE1 PHE 22 HE1 PHE 22 2.140 -0.839 0.041
157 HE2 PHE 22 HE2 PHE 22 0.755 -0.040 3.994
158 HZ PHE 22 HZ PHE 22 2.536 0.069 2.296
159 H THR 23 H THR 23 -4.120 -4.480 2.599
160 HA THR 23 HA THR 23 -5.593 -6.156 1.094
161 HB THR 23 HB THR 23 -6.252 -5.637 3.363
162 HG1 THR 23 HG1 THR 23 -7.872 -6.189 1.550
163 HG21 THR 23 3HG2 THR 23 -7.708 -3.175 2.780
164 HG22 THR 23 1HG2 THR 23 -5.960 -2.999 2.635
165 HG23 THR 23 2HG2 THR 23 -6.666 -3.576 4.145
166 H GLN 24 H GLN 24 -5.444 -2.676 0.718
167 HA GLN 24 HA GLN 24 -7.147 -2.922 -1.673
168 HB2 GLN 24 1HB GLN 24 -7.002 -0.668 0.328
169 HB3 GLN 24 2HB GLN 24 -7.763 -0.505 -1.249
170 HG2 GLN 24 1HG GLN 24 -9.270 -2.394 -0.632
171 HG3 GLN 24 2HG GLN 24 -8.585 -2.333 0.991
172 HE21 GLN 24 1HE2 GLN 24 -9.045 -0.579 2.320
173 HE22 GLN 24 2HE2 GLN 24 -10.350 0.504 1.992
174 H SER 25 H SER 25 -6.707 -1.299 -3.354
175 HA SER 25 HA SER 25 -3.899 -1.133 -3.868
176 HB2 SER 25 1HB SER 25 -4.574 -0.053 -5.980
177 HB3 SER 25 2HB SER 25 -5.499 -1.525 -5.685
178 HG SER 25 HG SER 25 -7.004 0.160 -4.616
179 H SER 26 H SER 26 -6.444 1.224 -3.141
180 HA SER 26 HA SER 26 -5.068 3.583 -3.451
181 HB2 SER 26 1HB SER 26 -7.101 2.861 -1.329
182 HB3 SER 26 2HB SER 26 -6.571 4.507 -1.678
183 HG SER 26 HG SER 26 -8.338 4.267 -2.913
184 H SER 27 H SER 27 -4.991 1.354 -0.714
185 HA SER 27 HA SER 27 -3.505 2.936 1.056
186 HB2 SER 27 1HB SER 27 -4.666 0.847 1.706
187 HB3 SER 27 2HB SER 27 -3.474 -0.082 0.799
188 HG SER 27 HG SER 27 -3.215 1.274 3.223
189 H LEU 28 H LEU 28 -2.503 0.804 -1.560
190 HA LEU 28 HA LEU 28 0.274 0.871 -0.971
191 HB2 LEU 28 1HB LEU 28 -0.345 -0.909 -2.309
192 HB3 LEU 28 2HB LEU 28 -1.376 0.089 -3.333
193 HG LEU 28 HG LEU 28 0.609 1.052 -4.392
194 HD11 LEU 28 1HD1 LEU 28 1.958 -0.407 -2.225
195 HD12 LEU 28 2HD1 LEU 28 2.432 1.062 -3.076
196 HD13 LEU 28 3HD1 LEU 28 2.727 -0.515 -3.808
197 HD21 LEU 28 3HD2 LEU 28 -0.292 -1.645 -4.592
198 HD22 LEU 28 1HD2 LEU 28 1.445 -1.599 -4.893
199 HD23 LEU 28 2HD2 LEU 28 0.357 -0.596 -5.854
200 H THR 29 H THR 29 -1.779 2.706 -3.206
201 HA THR 29 HA THR 29 0.131 4.190 -4.528
202 HB THR 29 HB THR 29 -2.597 5.124 -3.615
203 HG1 THR 29 HG1 THR 29 -3.274 3.862 -5.161
204 HG21 THR 29 3HG2 THR 29 -0.708 6.790 -4.488
205 HG22 THR 29 1HG2 THR 29 -2.405 6.981 -4.926
206 HG23 THR 29 2HG2 THR 29 -1.286 6.206 -6.048
207 H VAL 30 H VAL 30 -1.700 5.366 -1.696
208 HA VAL 30 HA VAL 30 -0.183 7.637 -1.216
209 HB VAL 30 HB VAL 30 -2.345 7.173 -0.121
210 HG11 VAL 30 1HG1 VAL 30 -0.988 4.818 0.735
211 HG12 VAL 30 2HG1 VAL 30 -1.504 5.726 2.157
212 HG13 VAL 30 3HG1 VAL 30 -2.685 5.252 0.936
213 HG21 VAL 30 3HG2 VAL 30 -0.405 7.561 2.110
214 HG22 VAL 30 1HG2 VAL 30 -0.437 8.726 0.786
215 HG23 VAL 30 2HG2 VAL 30 -1.890 8.439 1.743
216 H HIS 31 H HIS 31 0.547 4.324 -0.569
217 HA HIS 31 HA HIS 31 2.581 4.846 1.395
218 HB2 HIS 31 1HB HIS 31 1.772 2.717 1.697
219 HB3 HIS 31 2HB HIS 31 1.538 2.445 -0.027
220 HD1 HIS 31 HD1 HIS 31 3.874 1.817 2.725
221 HD2 HIS 31 HD2 HIS 31 3.978 1.766 -1.428
222 HE1 HIS 31 HE1 HIS 31 5.953 0.537 2.120
223 H GLN 32 H GLN 32 2.406 4.689 -2.054
224 HA GLN 32 HA GLN 32 5.163 4.192 -2.553
225 HB2 GLN 32 1HB GLN 32 3.022 4.076 -4.121
226 HB3 GLN 32 2HB GLN 32 3.508 5.722 -4.504
227 HG2 GLN 32 1HG GLN 32 4.681 4.653 -6.106
228 HG3 GLN 32 2HG GLN 32 5.866 4.537 -4.805
229 HE21 GLN 32 1HE2 GLN 32 4.560 2.555 -3.285
230 HE22 GLN 32 2HE2 GLN 32 4.647 1.068 -4.160
231 H ARG 33 H ARG 33 3.265 7.055 -1.930
232 HA ARG 33 HA ARG 33 4.940 9.040 -2.899
233 HB2 ARG 33 1HB ARG 33 3.285 9.120 -0.370
234 HB3 ARG 33 2HB ARG 33 3.906 10.517 -1.238
235 HG2 ARG 33 1HG ARG 33 2.358 10.352 -2.900
236 HG3 ARG 33 2HG ARG 33 2.204 8.602 -2.732
237 HD2 ARG 33 1HD ARG 33 0.171 9.530 -1.951
238 HD3 ARG 33 2HD ARG 33 1.074 9.032 -0.521
239 HE ARG 33 HE ARG 33 1.284 11.243 0.094
240 HH11 ARG 33 1HH1 ARG 33 0.012 11.019 -3.139
241 HH12 ARG 33 2HH1 ARG 33 -0.410 12.697 -3.230
242 HH21 ARG 33 1HH2 ARG 33 0.734 13.454 -0.014
243 HH22 ARG 33 2HH2 ARG 33 0.002 14.081 -1.452
244 H ILE 34 H ILE 34 5.215 7.086 -0.014
245 HA ILE 34 HA ILE 34 7.109 8.610 1.385
246 HB ILE 34 HB ILE 34 6.613 5.635 1.363
247 HG12 ILE 34 1HG1 ILE 34 5.849 6.446 3.789
248 HG13 ILE 34 2HG1 ILE 34 5.618 7.965 2.931
249 HG21 ILE 34 1HG2 ILE 34 8.256 7.138 3.387
250 HG22 ILE 34 2HG2 ILE 34 8.034 5.395 3.246
251 HG23 ILE 34 3HG2 ILE 34 8.959 6.266 2.024
252 HD11 ILE 34 3HD1 ILE 34 4.419 5.362 2.032
253 HD12 ILE 34 1HD1 ILE 34 3.599 6.500 3.101
254 HD13 ILE 34 2HD1 ILE 34 4.037 6.987 1.463
255 H HIS 35 H HIS 35 7.522 6.022 -1.007
256 HA HIS 35 HA HIS 35 10.381 6.116 -0.910
257 HB2 HIS 35 1HB HIS 35 8.611 4.922 -3.052
258 HB3 HIS 35 2HB HIS 35 10.312 4.562 -2.773
259 HD1 HIS 35 HD1 HIS 35 10.567 3.792 0.022
260 HD2 HIS 35 HD2 HIS 35 7.135 2.870 -2.131
261 HE1 HIS 35 HE1 HIS 35 9.501 1.871 1.246
262 H THR 36 H THR 36 7.894 7.703 -2.760
263 HA THR 36 HA THR 36 9.819 8.798 -4.655
264 HB THR 36 HB THR 36 7.971 9.682 -5.867
265 HG1 THR 36 HG1 THR 36 6.032 10.052 -4.982
266 HG21 THR 36 3HG2 THR 36 8.320 7.088 -5.667
267 HG22 THR 36 1HG2 THR 36 6.924 7.737 -6.525
268 HG23 THR 36 2HG2 THR 36 6.747 7.146 -4.873
269 H GLY 37 H GLY 37 10.055 9.526 -1.862
270 HA2 GLY 37 1HA GLY 37 10.432 12.308 -2.142
271 HA3 GLY 37 2HA GLY 37 8.945 12.020 -1.250
272 H GLU 38 H GLU 38 11.615 9.805 -1.002
273 HA GLU 38 HA GLU 38 12.280 10.917 1.642
274 HB2 GLU 38 1HB GLU 38 11.536 8.122 0.890
275 HB3 GLU 38 2HB GLU 38 12.708 8.368 2.177
276 HG2 GLU 38 1HG GLU 38 10.026 9.710 2.176
277 HG3 GLU 38 2HG GLU 38 10.282 8.105 2.856
278 H LYS 39 H LYS 39 14.354 11.411 1.810
279 HA LYS 39 HA LYS 39 16.304 11.322 -0.001
280 HB2 LYS 39 1HB LYS 39 16.300 12.020 2.563
281 HB3 LYS 39 2HB LYS 39 17.156 10.494 2.734
282 HG2 LYS 39 1HG LYS 39 18.593 11.489 0.752
283 HG3 LYS 39 2HG LYS 39 18.006 13.013 1.420
284 HD2 LYS 39 1HD LYS 39 19.245 10.902 3.160
285 HD3 LYS 39 2HD LYS 39 20.229 12.094 2.308
286 HE2 LYS 39 1HE LYS 39 18.575 13.800 3.397
287 HE3 LYS 39 2HE LYS 39 18.267 12.482 4.527
288 HZ1 LYS 39 3HZ LYS 39 20.304 12.669 5.441
289 HZ2 LYS 39 1HZ LYS 39 20.199 14.257 4.868
290 HZ3 LYS 39 2HZ LYS 39 21.059 13.096 3.989
291 HA PRO 40 HA PRO 40 16.958 7.034 -0.954
292 HB2 PRO 40 1HB PRO 40 19.062 7.412 -2.627
293 HB3 PRO 40 2HB PRO 40 17.390 7.742 -3.097
294 HG2 PRO 40 1HG PRO 40 19.511 9.646 -2.179
295 HG3 PRO 40 2HG PRO 40 18.344 9.824 -3.502
296 HD2 PRO 40 1HD PRO 40 17.997 10.996 -1.086
297 HD3 PRO 40 2HD PRO 40 16.636 10.440 -2.081
298 H SER 41 H SER 41 18.574 5.415 -0.642
299 HA SER 41 HA SER 41 20.136 5.782 1.686
300 HB2 SER 41 1HB SER 41 21.028 3.496 1.136
301 HB3 SER 41 2HB SER 41 19.268 3.592 1.186
302 HG SER 41 HG SER 41 19.947 4.142 -1.280
303 H GLY 42 H GLY 42 20.899 5.808 -1.751
304 HA2 GLY 42 1HA GLY 42 23.742 5.905 -1.353
305 HA3 GLY 42 2HA GLY 42 22.890 6.175 -2.866
306 HA PRO 43 HA PRO 43 24.679 10.212 -1.428
307 HB2 PRO 43 1HB PRO 43 25.777 10.856 -3.825
308 HB3 PRO 43 2HB PRO 43 26.617 9.878 -2.616
309 HG2 PRO 43 1HG PRO 43 25.123 9.000 -5.057
310 HG3 PRO 43 2HG PRO 43 26.677 8.421 -4.428
311 HD2 PRO 43 1HD PRO 43 24.358 7.075 -4.046
312 HD3 PRO 43 2HD PRO 43 25.677 7.061 -2.858
313 H SER 44 H SER 44 24.286 12.392 -2.387
314 HA SER 44 HA SER 44 22.036 12.499 -4.253
315 HB2 SER 44 1HB SER 44 20.753 13.987 -2.808
316 HB3 SER 44 2HB SER 44 21.064 12.466 -1.970
317 HG SER 44 HG SER 44 21.528 14.102 -0.550
318 H SER 45 H SER 45 22.695 13.787 -5.830
319 HA SER 45 HA SER 45 24.840 15.379 -6.035
320 HB2 SER 45 1HB SER 45 23.124 14.936 -7.831
321 HB3 SER 45 2HB SER 45 22.158 16.238 -7.136
322 HG SER 45 HG SER 45 23.819 16.634 -8.946
323 H GLY 46 H GLY 46 21.656 16.712 -5.110
324 HA2 GLY 46 1HA GLY 46 22.971 19.090 -4.053
325 HA3 GLY 46 2HA GLY 46 21.240 18.849 -4.232
Start of MODEL 4
1 H1 GLY 1 H GLY 1 14.910 -15.898 6.488
2 HA2 GLY 1 1HA GLY 1 13.413 -17.295 7.799
3 HA3 GLY 1 2HA GLY 1 12.414 -15.873 8.063
4 H SER 2 H SER 2 10.684 -15.633 6.810
5 HA SER 2 HA SER 2 10.227 -17.526 4.674
6 HB2 SER 2 1HB SER 2 7.964 -16.577 4.605
7 HB3 SER 2 2HB SER 2 8.423 -16.978 6.260
8 HG SER 2 HG SER 2 9.001 -14.403 5.393
9 H SER 3 H SER 3 12.336 -15.835 4.055
10 HA SER 3 HA SER 3 11.488 -13.633 2.445
11 HB2 SER 3 1HB SER 3 13.800 -14.064 3.576
12 HB3 SER 3 2HB SER 3 14.150 -14.985 2.114
13 HG SER 3 HG SER 3 14.576 -12.533 2.293
14 H GLY 4 H GLY 4 9.903 -14.638 1.090
15 HA2 GLY 4 1HA GLY 4 11.133 -15.938 -1.244
16 HA3 GLY 4 2HA GLY 4 9.728 -16.679 -0.494
17 H SER 5 H SER 5 10.894 -14.024 -2.422
18 HA SER 5 HA SER 5 8.118 -13.171 -2.907
19 HB2 SER 5 1HB SER 5 10.742 -11.711 -3.041
20 HB3 SER 5 2HB SER 5 9.344 -11.121 -3.939
21 HG SER 5 HG SER 5 8.394 -10.561 -2.123
22 H SER 6 H SER 6 7.659 -14.788 -4.433
23 HA SER 6 HA SER 6 8.394 -14.125 -7.114
24 HB2 SER 6 1HB SER 6 9.393 -16.323 -7.688
25 HB3 SER 6 2HB SER 6 10.384 -15.413 -6.549
26 HG SER 6 HG SER 6 10.287 -17.229 -5.472
27 H GLY 7 H GLY 7 6.623 -14.436 -8.283
28 HA2 GLY 7 1HA GLY 7 4.619 -15.282 -9.018
29 HA3 GLY 7 2HA GLY 7 5.140 -16.824 -8.355
30 H ALA 8 H ALA 8 3.623 -13.742 -7.511
31 HA ALA 8 HA ALA 8 2.658 -14.748 -4.985
32 HB1 ALA 8 3HB ALA 8 1.590 -12.255 -6.218
33 HB2 ALA 8 1HB ALA 8 1.967 -12.609 -4.532
34 HB3 ALA 8 2HB ALA 8 3.269 -12.295 -5.680
35 H GLY 9 H GLY 9 1.152 -13.744 -8.060
36 HA2 GLY 9 1HA GLY 9 -0.774 -14.474 -9.083
37 HA3 GLY 9 2HA GLY 9 -0.772 -15.835 -7.971
38 H LYS 10 H LYS 10 -1.782 -15.594 -5.912
39 HA LYS 10 HA LYS 10 -4.281 -14.550 -5.871
40 HB2 LYS 10 1HB LYS 10 -4.149 -14.560 -3.401
41 HB3 LYS 10 2HB LYS 10 -3.484 -16.021 -4.118
42 HG2 LYS 10 1HG LYS 10 -1.210 -14.932 -3.895
43 HG3 LYS 10 2HG LYS 10 -2.003 -13.716 -2.890
44 HD2 LYS 10 1HD LYS 10 -1.174 -15.293 -1.365
45 HD3 LYS 10 2HD LYS 10 -2.888 -15.686 -1.520
46 HE2 LYS 10 1HE LYS 10 -1.741 -17.746 -1.616
47 HE3 LYS 10 2HE LYS 10 -2.205 -17.374 -3.276
48 HZ1 LYS 10 3HZ LYS 10 -0.060 -17.836 -3.680
49 HZ2 LYS 10 1HZ LYS 10 0.432 -17.547 -2.087
50 HZ3 LYS 10 2HZ LYS 10 0.211 -16.252 -3.152
51 H LYS 11 H LYS 11 -1.342 -12.874 -4.793
52 HA LYS 11 HA LYS 11 -2.447 -10.529 -3.848
53 HB2 LYS 11 1HB LYS 11 0.008 -11.271 -3.884
54 HB3 LYS 11 2HB LYS 11 0.073 -10.572 -5.497
55 HG2 LYS 11 1HG LYS 11 0.896 -8.933 -4.010
56 HG3 LYS 11 2HG LYS 11 -0.725 -8.416 -4.481
57 HD2 LYS 11 1HD LYS 11 -0.601 -8.073 -2.151
58 HD3 LYS 11 2HD LYS 11 -1.543 -9.551 -2.361
59 HE2 LYS 11 1HE LYS 11 0.645 -10.806 -2.052
60 HE3 LYS 11 2HE LYS 11 1.329 -9.273 -1.510
61 HZ1 LYS 11 3HZ LYS 11 -1.155 -10.205 -0.266
62 HZ2 LYS 11 1HZ LYS 11 0.107 -9.293 0.396
63 HZ3 LYS 11 2HZ LYS 11 0.293 -10.960 0.178
64 H LEU 12 H LEU 12 -2.595 -8.398 -4.830
65 HA LEU 12 HA LEU 12 -3.263 -8.508 -7.697
66 HB2 LEU 12 1HB LEU 12 -4.819 -6.491 -6.841
67 HB3 LEU 12 2HB LEU 12 -5.360 -8.163 -6.975
68 HG LEU 12 HG LEU 12 -6.074 -7.108 -4.876
69 HD11 LEU 12 1HD1 LEU 12 -4.242 -8.973 -3.685
70 HD12 LEU 12 2HD1 LEU 12 -4.856 -9.601 -5.214
71 HD13 LEU 12 3HD1 LEU 12 -5.980 -9.118 -3.944
72 HD21 LEU 12 3HD2 LEU 12 -3.618 -5.914 -4.876
73 HD22 LEU 12 1HD2 LEU 12 -3.418 -7.170 -3.654
74 HD23 LEU 12 2HD2 LEU 12 -4.715 -5.985 -3.497
75 H PHE 13 H PHE 13 -1.770 -6.790 -5.081
76 HA PHE 13 HA PHE 13 -0.623 -4.911 -7.025
77 HB2 PHE 13 1HB PHE 13 -1.372 -4.042 -4.239
78 HB3 PHE 13 2HB PHE 13 -0.941 -3.037 -5.619
79 HD1 PHE 13 HD2 PHE 13 -2.613 -3.984 -7.753
80 HD2 PHE 13 HD1 PHE 13 -3.525 -3.539 -3.619
81 HE1 PHE 13 HE2 PHE 13 -4.996 -3.728 -8.309
82 HE2 PHE 13 HE1 PHE 13 -5.910 -3.283 -4.169
83 HZ PHE 13 HZ PHE 13 -6.648 -3.376 -6.517
84 H LYS 14 H LYS 14 1.523 -4.566 -6.822
85 HA LYS 14 HA LYS 14 2.874 -5.494 -4.389
86 HB2 LYS 14 1HB LYS 14 3.417 -7.343 -5.606
87 HB3 LYS 14 2HB LYS 14 3.207 -6.523 -7.147
88 HG2 LYS 14 1HG LYS 14 5.362 -5.799 -7.217
89 HG3 LYS 14 2HG LYS 14 5.508 -5.716 -5.460
90 HD2 LYS 14 1HD LYS 14 5.144 -8.395 -6.687
91 HD3 LYS 14 2HD LYS 14 6.708 -7.604 -6.898
92 HE2 LYS 14 1HE LYS 14 6.947 -8.868 -4.942
93 HE3 LYS 14 2HE LYS 14 6.656 -7.225 -4.372
94 HZ1 LYS 14 3HZ LYS 14 5.310 -9.401 -3.541
95 HZ2 LYS 14 1HZ LYS 14 4.264 -8.796 -4.726
96 HZ3 LYS 14 2HZ LYS 14 4.732 -7.815 -3.431
97 H CYS 15 H CYS 15 4.346 -4.097 -3.659
98 HA CYS 15 HA CYS 15 4.943 -1.743 -5.263
99 HB2 CYS 15 1HB CYS 15 4.372 -1.110 -3.095
100 HB3 CYS 15 2HB CYS 15 5.238 -2.458 -2.366
101 H ASN 16 H ASN 16 6.636 -1.795 -6.576
102 HA ASN 16 HA ASN 16 8.820 -3.632 -6.147
103 HB2 ASN 16 1HB ASN 16 7.794 -2.968 -8.411
104 HB3 ASN 16 2HB ASN 16 8.726 -1.482 -8.255
105 HD21 ASN 16 1HD2 ASN 16 9.488 -2.563 -10.351
106 HD22 ASN 16 2HD2 ASN 16 10.899 -3.551 -10.209
107 H GLU 17 H GLU 17 8.705 -1.916 -4.018
108 HA GLU 17 HA GLU 17 11.187 -0.387 -4.370
109 HB2 GLU 17 1HB GLU 17 8.948 0.644 -2.646
110 HB3 GLU 17 2HB GLU 17 10.366 1.504 -3.228
111 HG2 GLU 17 1HG GLU 17 9.288 0.961 -5.577
112 HG3 GLU 17 2HG GLU 17 7.816 0.889 -4.610
113 H CYS 18 H CYS 18 8.862 -1.647 -1.989
114 HA CYS 18 HA CYS 18 11.137 -2.559 -0.371
115 HB2 CYS 18 1HB CYS 18 9.968 -1.877 1.686
116 HB3 CYS 18 2HB CYS 18 10.328 -0.495 0.657
117 H LYS 19 H LYS 19 8.927 -3.676 -2.217
118 HA LYS 19 HA LYS 19 7.647 -5.551 -2.366
119 HB2 LYS 19 1HB LYS 19 9.635 -6.231 -0.239
120 HB3 LYS 19 2HB LYS 19 8.311 -7.347 -0.549
121 HG2 LYS 19 1HG LYS 19 10.105 -8.109 -1.854
122 HG3 LYS 19 2HG LYS 19 9.016 -7.295 -2.980
123 HD2 LYS 19 1HD LYS 19 11.004 -6.381 -3.641
124 HD3 LYS 19 2HD LYS 19 10.547 -5.217 -2.395
125 HE2 LYS 19 1HE LYS 19 12.167 -7.616 -1.659
126 HE3 LYS 19 2HE LYS 19 12.952 -6.240 -2.432
127 HZ1 LYS 19 3HZ LYS 19 11.682 -6.408 0.210
128 HZ2 LYS 19 1HZ LYS 19 11.704 -4.918 -0.593
129 HZ3 LYS 19 2HZ LYS 19 13.157 -5.705 -0.231
130 H LYS 20 H LYS 20 6.263 -3.575 -1.230
131 HA LYS 20 HA LYS 20 4.959 -4.734 1.138
132 HB2 LYS 20 1HB LYS 20 5.884 -2.363 1.209
133 HB3 LYS 20 2HB LYS 20 4.603 -1.929 0.086
134 HG2 LYS 20 1HG LYS 20 3.474 -1.442 1.960
135 HG3 LYS 20 2HG LYS 20 3.168 -3.180 1.997
136 HD2 LYS 20 1HD LYS 20 5.660 -2.143 3.257
137 HD3 LYS 20 2HD LYS 20 4.127 -1.911 4.101
138 HE2 LYS 20 1HE LYS 20 5.134 -4.569 3.095
139 HE3 LYS 20 2HE LYS 20 5.346 -3.987 4.746
140 HZ1 LYS 20 3HZ LYS 20 3.014 -3.998 5.087
141 HZ2 LYS 20 1HZ LYS 20 3.410 -5.494 4.403
142 HZ3 LYS 20 2HZ LYS 20 2.695 -4.292 3.452
143 H THR 21 H THR 21 2.669 -4.819 1.240
144 HA THR 21 HA THR 21 1.232 -4.479 -1.290
145 HB THR 21 HB THR 21 0.048 -6.693 -0.800
146 HG1 THR 21 HG1 THR 21 1.937 -6.662 1.178
147 HG21 THR 21 3HG2 THR 21 2.470 -6.106 -2.184
148 HG22 THR 21 1HG2 THR 21 1.251 -7.321 -2.565
149 HG23 THR 21 2HG2 THR 21 2.596 -7.725 -1.498
150 H PHE 22 H PHE 22 -1.084 -4.392 -1.052
151 HA PHE 22 HA PHE 22 -2.124 -4.128 1.657
152 HB2 PHE 22 1HB PHE 22 -2.266 -1.885 -0.368
153 HB3 PHE 22 2HB PHE 22 -3.109 -1.911 1.177
154 HD1 PHE 22 HD2 PHE 22 -1.898 -1.623 3.261
155 HD2 PHE 22 HD1 PHE 22 0.103 -1.484 -0.494
156 HE1 PHE 22 HE2 PHE 22 0.062 -0.606 4.346
157 HE2 PHE 22 HE1 PHE 22 2.066 -0.468 0.586
158 HZ PHE 22 HZ PHE 22 2.047 -0.026 3.009
159 H THR 23 H THR 23 -4.116 -4.938 1.807
160 HA THR 23 HA THR 23 -5.391 -6.411 -0.063
161 HB THR 23 HB THR 23 -6.820 -4.706 1.986
162 HG1 THR 23 HG1 THR 23 -5.028 -6.477 2.454
163 HG21 THR 23 3HG2 THR 23 -8.520 -5.547 0.654
164 HG22 THR 23 1HG2 THR 23 -8.367 -6.800 1.885
165 HG23 THR 23 2HG2 THR 23 -7.643 -7.033 0.293
166 H GLN 24 H GLN 24 -5.480 -2.926 0.226
167 HA GLN 24 HA GLN 24 -7.124 -2.819 -2.216
168 HB2 GLN 24 1HB GLN 24 -7.067 -0.815 0.046
169 HB3 GLN 24 2HB GLN 24 -8.005 -0.661 -1.433
170 HG2 GLN 24 1HG GLN 24 -8.344 -2.941 0.492
171 HG3 GLN 24 2HG GLN 24 -9.260 -1.439 0.600
172 HE21 GLN 24 1HE2 GLN 24 -11.255 -2.022 0.043
173 HE22 GLN 24 2HE2 GLN 24 -11.689 -2.813 -1.430
174 H SER 25 H SER 25 -6.752 -0.882 -3.557
175 HA SER 25 HA SER 25 -3.932 -0.479 -3.934
176 HB2 SER 25 1HB SER 25 -4.650 0.903 -5.880
177 HB3 SER 25 2HB SER 25 -5.360 -0.712 -5.885
178 HG SER 25 HG SER 25 -7.256 0.171 -5.780
179 H SER 26 H SER 26 -6.690 1.592 -3.084
180 HA SER 26 HA SER 26 -5.586 4.061 -2.980
181 HB2 SER 26 1HB SER 26 -7.932 3.503 -2.339
182 HB3 SER 26 2HB SER 26 -7.334 2.922 -0.785
183 HG SER 26 HG SER 26 -6.671 5.511 -1.643
184 H SER 27 H SER 27 -5.110 1.474 -0.633
185 HA SER 27 HA SER 27 -3.617 3.047 1.214
186 HB2 SER 27 1HB SER 27 -4.837 0.760 1.562
187 HB3 SER 27 2HB SER 27 -3.315 0.068 1.002
188 HG SER 27 HG SER 27 -3.157 2.033 2.962
189 H LEU 28 H LEU 28 -2.704 0.717 -1.307
190 HA LEU 28 HA LEU 28 0.049 0.750 -0.926
191 HB2 LEU 28 1HB LEU 28 -0.721 -0.885 -2.373
192 HB3 LEU 28 2HB LEU 28 -1.708 0.251 -3.290
193 HG LEU 28 HG LEU 28 0.286 1.156 -4.351
194 HD11 LEU 28 1HD1 LEU 28 1.630 -0.483 -2.304
195 HD12 LEU 28 2HD1 LEU 28 2.123 1.036 -3.050
196 HD13 LEU 28 3HD1 LEU 28 2.367 -0.486 -3.906
197 HD21 LEU 28 3HD2 LEU 28 0.718 -1.751 -4.685
198 HD22 LEU 28 1HD2 LEU 28 0.439 -0.496 -5.893
199 HD23 LEU 28 2HD2 LEU 28 -0.916 -1.149 -4.971
200 H THR 29 H THR 29 -1.798 2.644 -3.322
201 HA THR 29 HA THR 29 0.148 4.183 -4.409
202 HB THR 29 HB THR 29 -2.653 4.969 -3.628
203 HG1 THR 29 HG1 THR 29 -1.463 4.511 -6.176
204 HG21 THR 29 3HG2 THR 29 -1.454 7.039 -3.667
205 HG22 THR 29 1HG2 THR 29 -2.335 6.909 -5.188
206 HG23 THR 29 2HG2 THR 29 -0.602 6.582 -5.141
207 H VAL 30 H VAL 30 -1.747 5.279 -1.586
208 HA VAL 30 HA VAL 30 -0.296 7.519 -0.942
209 HB VAL 30 HB VAL 30 -1.696 5.573 0.887
210 HG11 VAL 30 1HG1 VAL 30 0.143 7.611 1.609
211 HG12 VAL 30 2HG1 VAL 30 -1.475 8.144 2.069
212 HG13 VAL 30 3HG1 VAL 30 -0.851 6.604 2.661
213 HG21 VAL 30 3HG2 VAL 30 -3.034 7.989 0.877
214 HG22 VAL 30 1HG2 VAL 30 -2.511 7.796 -0.796
215 HG23 VAL 30 2HG2 VAL 30 -3.487 6.544 -0.028
216 H HIS 31 H HIS 31 0.382 4.166 -0.056
217 HA HIS 31 HA HIS 31 2.519 4.678 1.702
218 HB2 HIS 31 1HB HIS 31 1.848 2.505 1.923
219 HB3 HIS 31 2HB HIS 31 1.503 2.324 0.206
220 HD1 HIS 31 HD1 HIS 31 4.521 2.512 2.507
221 HD2 HIS 31 HD2 HIS 31 3.376 0.903 -1.148
222 HE1 HIS 31 HE1 HIS 31 6.466 1.108 1.752
223 H GLN 32 H GLN 32 2.306 4.640 -1.758
224 HA GLN 32 HA GLN 32 5.015 4.229 -2.388
225 HB2 GLN 32 1HB GLN 32 3.031 5.905 -3.931
226 HB3 GLN 32 2HB GLN 32 4.487 5.147 -4.562
227 HG2 GLN 32 1HG GLN 32 2.462 3.392 -3.298
228 HG3 GLN 32 2HG GLN 32 2.084 4.085 -4.874
229 HE21 GLN 32 1HE2 GLN 32 3.878 1.745 -3.158
230 HE22 GLN 32 2HE2 GLN 32 4.687 1.036 -4.510
231 H ARG 33 H ARG 33 3.209 7.114 -1.507
232 HA ARG 33 HA ARG 33 4.970 9.109 -2.218
233 HB2 ARG 33 1HB ARG 33 3.361 8.995 0.339
234 HB3 ARG 33 2HB ARG 33 3.992 10.445 -0.429
235 HG2 ARG 33 1HG ARG 33 2.396 10.449 -2.056
236 HG3 ARG 33 2HG ARG 33 2.197 8.696 -2.019
237 HD2 ARG 33 1HD ARG 33 0.217 9.566 -1.096
238 HD3 ARG 33 2HD ARG 33 1.169 9.012 0.281
239 HE ARG 33 HE ARG 33 1.865 11.593 0.134
240 HH11 ARG 33 1HH1 ARG 33 -1.242 10.025 0.069
241 HH12 ARG 33 2HH1 ARG 33 -2.075 11.356 0.803
242 HH21 ARG 33 1HH2 ARG 33 0.780 13.352 1.101
243 HH22 ARG 33 2HH2 ARG 33 -0.924 13.248 1.388
244 H ILE 34 H ILE 34 5.440 6.613 0.048
245 HA ILE 34 HA ILE 34 7.304 7.942 1.756
246 HB ILE 34 HB ILE 34 6.548 5.076 1.321
247 HG12 ILE 34 1HG1 ILE 34 6.191 5.348 3.862
248 HG13 ILE 34 2HG1 ILE 34 6.381 7.073 3.568
249 HG21 ILE 34 1HG2 ILE 34 8.846 6.044 3.017
250 HG22 ILE 34 2HG2 ILE 34 8.182 4.411 3.031
251 HG23 ILE 34 3HG2 ILE 34 8.961 5.034 1.576
252 HD11 ILE 34 3HD1 ILE 34 4.066 6.625 3.582
253 HD12 ILE 34 1HD1 ILE 34 4.518 6.879 1.896
254 HD13 ILE 34 2HD1 ILE 34 4.255 5.244 2.502
255 H HIS 35 H HIS 35 7.537 6.070 -1.203
256 HA HIS 35 HA HIS 35 10.454 6.153 -1.116
257 HB2 HIS 35 1HB HIS 35 8.821 4.995 -3.360
258 HB3 HIS 35 2HB HIS 35 10.450 4.565 -2.849
259 HD1 HIS 35 HD1 HIS 35 10.586 3.246 -0.501
260 HD2 HIS 35 HD2 HIS 35 6.842 3.456 -2.289
261 HE1 HIS 35 HE1 HIS 35 9.209 1.460 0.611
262 H THR 36 H THR 36 7.758 7.684 -2.666
263 HA THR 36 HA THR 36 9.586 9.145 -4.453
264 HB THR 36 HB THR 36 7.788 7.983 -5.637
265 HG1 THR 36 HG1 THR 36 7.282 10.787 -5.606
266 HG21 THR 36 3HG2 THR 36 5.540 8.209 -5.188
267 HG22 THR 36 1HG2 THR 36 5.743 9.780 -4.413
268 HG23 THR 36 2HG2 THR 36 6.212 8.309 -3.561
269 H GLY 37 H GLY 37 6.804 9.581 -2.280
270 HA2 GLY 37 1HA GLY 37 7.046 12.456 -2.337
271 HA3 GLY 37 2HA GLY 37 5.943 11.519 -1.340
272 H GLU 38 H GLU 38 9.460 11.208 -1.504
273 HA GLU 38 HA GLU 38 9.817 12.581 1.017
274 HB2 GLU 38 1HB GLU 38 10.076 9.596 0.756
275 HB3 GLU 38 2HB GLU 38 11.006 10.487 1.953
276 HG2 GLU 38 1HG GLU 38 8.685 11.459 2.624
277 HG3 GLU 38 2HG GLU 38 8.065 10.033 1.794
278 H LYS 39 H LYS 39 12.201 12.336 1.732
279 HA LYS 39 HA LYS 39 13.835 13.287 -0.345
280 HB2 LYS 39 1HB LYS 39 15.626 13.279 1.257
281 HB3 LYS 39 2HB LYS 39 14.152 13.770 2.082
282 HG2 LYS 39 1HG LYS 39 13.924 11.365 2.827
283 HG3 LYS 39 2HG LYS 39 15.571 11.128 2.237
284 HD2 LYS 39 1HD LYS 39 14.872 13.306 4.187
285 HD3 LYS 39 2HD LYS 39 15.279 11.672 4.716
286 HE2 LYS 39 1HE LYS 39 17.467 11.847 4.005
287 HE3 LYS 39 2HE LYS 39 17.093 13.100 2.823
288 HZ1 LYS 39 3HZ LYS 39 17.368 14.713 4.330
289 HZ2 LYS 39 1HZ LYS 39 18.229 13.552 5.210
290 HZ3 LYS 39 2HZ LYS 39 16.604 13.850 5.569
291 HA PRO 40 HA PRO 40 15.240 9.591 -2.287
292 HB2 PRO 40 1HB PRO 40 17.521 10.548 -3.404
293 HB3 PRO 40 2HB PRO 40 15.912 10.940 -4.021
294 HG2 PRO 40 1HG PRO 40 17.704 12.552 -2.246
295 HG3 PRO 40 2HG PRO 40 16.727 13.082 -3.629
296 HD2 PRO 40 1HD PRO 40 15.936 13.440 -1.064
297 HD3 PRO 40 2HD PRO 40 14.787 13.163 -2.388
298 H SER 41 H SER 41 16.266 7.871 -1.492
299 HA SER 41 HA SER 41 18.588 8.314 0.268
300 HB2 SER 41 1HB SER 41 16.596 7.412 1.439
301 HB3 SER 41 2HB SER 41 16.611 6.022 0.355
302 HG SER 41 HG SER 41 18.101 6.497 2.570
303 H GLY 42 H GLY 42 18.942 8.146 -2.487
304 HA2 GLY 42 1HA GLY 42 20.574 7.130 -3.802
305 HA3 GLY 42 2HA GLY 42 20.682 5.833 -2.621
306 HA PRO 43 HA PRO 43 16.916 4.841 -5.517
307 HB2 PRO 43 1HB PRO 43 16.809 6.260 -7.829
308 HB3 PRO 43 2HB PRO 43 15.991 6.773 -6.349
309 HG2 PRO 43 1HG PRO 43 18.605 7.691 -7.483
310 HG3 PRO 43 2HG PRO 43 17.301 8.650 -6.758
311 HD2 PRO 43 1HD PRO 43 19.546 7.982 -5.400
312 HD3 PRO 43 2HD PRO 43 17.968 8.163 -4.607
313 H SER 44 H SER 44 16.784 3.757 -7.703
314 HA SER 44 HA SER 44 19.474 3.087 -8.704
315 HB2 SER 44 1HB SER 44 18.620 0.757 -9.059
316 HB3 SER 44 2HB SER 44 18.721 1.226 -7.362
317 HG SER 44 HG SER 44 16.581 1.266 -7.223
318 H SER 45 H SER 45 19.736 3.037 -10.867
319 HA SER 45 HA SER 45 17.337 3.496 -12.518
320 HB2 SER 45 1HB SER 45 18.775 4.756 -14.061
321 HB3 SER 45 2HB SER 45 18.837 5.448 -12.440
322 HG SER 45 HG SER 45 20.833 4.403 -13.936
323 H GLY 46 H GLY 46 17.086 1.200 -12.756
324 HA2 GLY 46 1HA GLY 46 19.137 -0.428 -13.884
325 HA3 GLY 46 2HA GLY 46 17.434 -0.844 -13.755
Start of MODEL 5
1 H1 GLY 1 H GLY 1 2.375 -25.902 -15.727
2 HA2 GLY 1 1HA GLY 1 4.296 -25.032 -17.334
3 HA3 GLY 1 2HA GLY 1 3.231 -25.782 -18.514
4 H SER 2 H SER 2 3.131 -23.600 -19.417
5 HA SER 2 HA SER 2 1.177 -21.925 -17.979
6 HB2 SER 2 1HB SER 2 2.168 -19.965 -19.070
7 HB3 SER 2 2HB SER 2 3.385 -20.836 -18.138
8 HG SER 2 HG SER 2 4.271 -20.384 -20.119
9 H SER 3 H SER 3 -0.491 -23.165 -19.028
10 HA SER 3 HA SER 3 -0.961 -22.254 -21.784
11 HB2 SER 3 1HB SER 3 -1.482 -25.045 -20.731
12 HB3 SER 3 2HB SER 3 -1.950 -24.455 -22.325
13 HG SER 3 HG SER 3 0.009 -24.798 -22.982
14 H GLY 4 H GLY 4 -2.486 -20.741 -21.323
15 HA2 GLY 4 1HA GLY 4 -5.124 -21.285 -21.128
16 HA3 GLY 4 2HA GLY 4 -4.617 -21.287 -19.445
17 H SER 5 H SER 5 -6.508 -19.501 -20.342
18 HA SER 5 HA SER 5 -5.069 -16.953 -20.599
19 HB2 SER 5 1HB SER 5 -7.230 -16.004 -21.297
20 HB3 SER 5 2HB SER 5 -6.785 -17.381 -22.306
21 HG SER 5 HG SER 5 -8.145 -18.629 -20.775
22 H SER 6 H SER 6 -4.455 -16.867 -18.386
23 HA SER 6 HA SER 6 -6.276 -15.458 -16.740
24 HB2 SER 6 1HB SER 6 -6.451 -17.095 -14.890
25 HB3 SER 6 2HB SER 6 -7.245 -17.668 -16.357
26 HG SER 6 HG SER 6 -5.633 -19.098 -16.689
27 H GLY 7 H GLY 7 -5.212 -14.332 -15.176
28 HA2 GLY 7 1HA GLY 7 -2.458 -14.009 -15.311
29 HA3 GLY 7 2HA GLY 7 -3.455 -13.495 -13.959
30 H ALA 8 H ALA 8 -4.349 -16.098 -13.187
31 HA ALA 8 HA ALA 8 -3.757 -17.806 -11.806
32 HB1 ALA 8 3HB ALA 8 -1.505 -18.898 -12.314
33 HB2 ALA 8 1HB ALA 8 -2.709 -18.882 -13.602
34 HB3 ALA 8 2HB ALA 8 -1.374 -17.731 -13.629
35 H GLY 9 H GLY 9 -3.409 -15.225 -10.801
36 HA2 GLY 9 1HA GLY 9 -1.043 -15.610 -9.072
37 HA3 GLY 9 2HA GLY 9 -1.524 -14.025 -9.660
38 H LYS 10 H LYS 10 -1.224 -14.234 -7.028
39 HA LYS 10 HA LYS 10 -3.946 -14.557 -5.948
40 HB2 LYS 10 1HB LYS 10 -2.839 -14.754 -3.729
41 HB3 LYS 10 2HB LYS 10 -2.387 -16.033 -4.849
42 HG2 LYS 10 1HG LYS 10 -0.343 -14.590 -5.382
43 HG3 LYS 10 2HG LYS 10 -0.760 -13.695 -3.919
44 HD2 LYS 10 1HD LYS 10 -0.821 -16.030 -2.800
45 HD3 LYS 10 2HD LYS 10 0.106 -16.549 -4.210
46 HE2 LYS 10 1HE LYS 10 0.910 -14.210 -2.496
47 HE3 LYS 10 2HE LYS 10 1.441 -15.859 -2.169
48 HZ1 LYS 10 3HZ LYS 10 2.503 -15.943 -4.305
49 HZ2 LYS 10 1HZ LYS 10 3.048 -14.568 -3.483
50 HZ3 LYS 10 2HZ LYS 10 1.907 -14.415 -4.722
51 H LYS 11 H LYS 11 -1.020 -12.554 -5.609
52 HA LYS 11 HA LYS 11 -2.378 -10.467 -4.215
53 HB2 LYS 11 1HB LYS 11 0.163 -11.072 -4.277
54 HB3 LYS 11 2HB LYS 11 0.190 -10.046 -5.704
55 HG2 LYS 11 1HG LYS 11 0.822 -8.696 -3.871
56 HG3 LYS 11 2HG LYS 11 -0.827 -8.233 -4.298
57 HD2 LYS 11 1HD LYS 11 -0.632 -10.380 -2.305
58 HD3 LYS 11 2HD LYS 11 0.018 -8.825 -1.779
59 HE2 LYS 11 1HE LYS 11 -2.631 -8.873 -3.134
60 HE3 LYS 11 2HE LYS 11 -2.532 -9.437 -1.467
61 HZ1 LYS 11 3HZ LYS 11 -3.008 -6.967 -1.917
62 HZ2 LYS 11 1HZ LYS 11 -1.351 -6.849 -2.235
63 HZ3 LYS 11 2HZ LYS 11 -1.886 -7.366 -0.716
64 H LEU 12 H LEU 12 -2.577 -8.244 -5.011
65 HA LEU 12 HA LEU 12 -3.078 -8.116 -7.909
66 HB2 LEU 12 1HB LEU 12 -4.869 -6.343 -6.972
67 HB3 LEU 12 2HB LEU 12 -5.243 -8.029 -7.325
68 HG LEU 12 HG LEU 12 -6.192 -7.269 -5.187
69 HD11 LEU 12 1HD1 LEU 12 -4.625 -9.590 -5.659
70 HD12 LEU 12 2HD1 LEU 12 -6.028 -9.400 -4.607
71 HD13 LEU 12 3HD1 LEU 12 -4.407 -9.105 -3.977
72 HD21 LEU 12 3HD2 LEU 12 -3.616 -7.275 -3.791
73 HD22 LEU 12 1HD2 LEU 12 -5.024 -6.235 -3.577
74 HD23 LEU 12 2HD2 LEU 12 -3.864 -5.895 -4.862
75 H PHE 13 H PHE 13 -1.969 -6.549 -5.013
76 HA PHE 13 HA PHE 13 -0.839 -4.400 -6.664
77 HB2 PHE 13 1HB PHE 13 -1.891 -3.853 -3.898
78 HB3 PHE 13 2HB PHE 13 -1.475 -2.699 -5.161
79 HD1 PHE 13 HD2 PHE 13 -2.884 -3.582 -7.482
80 HD2 PHE 13 HD1 PHE 13 -4.124 -3.671 -3.411
81 HE1 PHE 13 HE2 PHE 13 -5.236 -3.521 -8.200
82 HE2 PHE 13 HE1 PHE 13 -6.479 -3.611 -4.123
83 HZ PHE 13 HZ PHE 13 -7.037 -3.534 -6.521
84 H LYS 14 H LYS 14 1.289 -4.608 -6.545
85 HA LYS 14 HA LYS 14 2.495 -5.221 -3.928
86 HB2 LYS 14 1HB LYS 14 4.095 -6.634 -4.908
87 HB3 LYS 14 2HB LYS 14 2.582 -7.083 -5.686
88 HG2 LYS 14 1HG LYS 14 3.907 -6.966 -7.520
89 HG3 LYS 14 2HG LYS 14 3.388 -5.281 -7.453
90 HD2 LYS 14 1HD LYS 14 5.725 -5.215 -7.768
91 HD3 LYS 14 2HD LYS 14 5.467 -4.847 -6.061
92 HE2 LYS 14 1HE LYS 14 7.127 -6.394 -5.856
93 HE3 LYS 14 2HE LYS 14 5.732 -7.472 -5.836
94 HZ1 LYS 14 3HZ LYS 14 6.081 -8.056 -8.071
95 HZ2 LYS 14 1HZ LYS 14 7.613 -8.112 -7.356
96 HZ3 LYS 14 2HZ LYS 14 7.182 -6.797 -8.328
97 H CYS 15 H CYS 15 4.420 -4.169 -3.413
98 HA CYS 15 HA CYS 15 4.906 -1.736 -4.970
99 HB2 CYS 15 1HB CYS 15 4.421 -1.474 -2.569
100 HB3 CYS 15 2HB CYS 15 5.815 -2.477 -2.180
101 H ASN 16 H ASN 16 6.550 -1.699 -6.337
102 HA ASN 16 HA ASN 16 8.617 -3.715 -6.225
103 HB2 ASN 16 1HB ASN 16 7.454 -2.660 -8.329
104 HB3 ASN 16 2HB ASN 16 8.676 -1.407 -8.134
105 HD21 ASN 16 1HD2 ASN 16 9.960 -1.801 -9.830
106 HD22 ASN 16 2HD2 ASN 16 10.797 -3.287 -10.106
107 H GLU 17 H GLU 17 8.609 -1.968 -3.994
108 HA GLU 17 HA GLU 17 11.266 -0.761 -4.318
109 HB2 GLU 17 1HB GLU 17 9.129 0.545 -2.648
110 HB3 GLU 17 2HB GLU 17 10.667 1.218 -3.169
111 HG2 GLU 17 1HG GLU 17 9.635 0.843 -5.561
112 HG3 GLU 17 2HG GLU 17 8.120 0.922 -4.664
113 H CYS 18 H CYS 18 8.786 -1.935 -2.083
114 HA CYS 18 HA CYS 18 10.932 -2.924 -0.339
115 HB2 CYS 18 1HB CYS 18 9.687 -2.258 1.652
116 HB3 CYS 18 2HB CYS 18 10.041 -0.852 0.654
117 H LYS 19 H LYS 19 9.106 -4.122 -2.373
118 HA LYS 19 HA LYS 19 7.602 -5.848 -2.618
119 HB2 LYS 19 1HB LYS 19 9.192 -7.078 -0.372
120 HB3 LYS 19 2HB LYS 19 8.445 -7.888 -1.743
121 HG2 LYS 19 1HG LYS 19 10.792 -6.006 -1.883
122 HG3 LYS 19 2HG LYS 19 10.869 -7.767 -1.973
123 HD2 LYS 19 1HD LYS 19 9.281 -7.561 -3.963
124 HD3 LYS 19 2HD LYS 19 9.673 -5.840 -3.947
125 HE2 LYS 19 1HE LYS 19 11.758 -8.008 -4.077
126 HE3 LYS 19 2HE LYS 19 11.043 -7.272 -5.511
127 HZ1 LYS 19 3HZ LYS 19 13.018 -6.218 -3.692
128 HZ2 LYS 19 1HZ LYS 19 11.787 -5.123 -4.076
129 HZ3 LYS 19 2HZ LYS 19 12.712 -5.821 -5.307
130 H LYS 20 H LYS 20 6.330 -3.983 -1.148
131 HA LYS 20 HA LYS 20 5.073 -5.490 1.050
132 HB2 LYS 20 1HB LYS 20 6.199 -3.291 1.602
133 HB3 LYS 20 2HB LYS 20 4.962 -2.503 0.632
134 HG2 LYS 20 1HG LYS 20 3.250 -3.552 2.131
135 HG3 LYS 20 2HG LYS 20 4.581 -4.077 3.166
136 HD2 LYS 20 1HD LYS 20 5.224 -1.499 2.960
137 HD3 LYS 20 2HD LYS 20 3.483 -1.359 2.701
138 HE2 LYS 20 1HE LYS 20 3.233 -2.788 4.801
139 HE3 LYS 20 2HE LYS 20 4.941 -2.456 5.089
140 HZ1 LYS 20 3HZ LYS 20 3.580 -0.880 6.270
141 HZ2 LYS 20 1HZ LYS 20 2.778 -0.435 4.848
142 HZ3 LYS 20 2HZ LYS 20 4.420 -0.077 5.041
143 H THR 21 H THR 21 2.781 -5.374 1.272
144 HA THR 21 HA THR 21 1.344 -4.544 -1.158
145 HB THR 21 HB THR 21 -0.165 -6.544 -0.799
146 HG1 THR 21 HG1 THR 21 1.947 -7.178 0.988
147 HG21 THR 21 3HG2 THR 21 1.076 -6.989 -2.634
148 HG22 THR 21 1HG2 THR 21 1.883 -8.140 -1.571
149 HG23 THR 21 2HG2 THR 21 2.590 -6.548 -1.844
150 H PHE 22 H PHE 22 -1.012 -4.295 -0.809
151 HA PHE 22 HA PHE 22 -1.756 -3.740 1.968
152 HB2 PHE 22 1HB PHE 22 -1.952 -1.774 -0.318
153 HB3 PHE 22 2HB PHE 22 -2.804 -1.578 1.210
154 HD1 PHE 22 HD1 PHE 22 0.595 -1.965 -0.232
155 HD2 PHE 22 HD2 PHE 22 -1.766 -0.540 3.010
156 HE1 PHE 22 HE1 PHE 22 2.578 -0.868 0.725
157 HE2 PHE 22 HE2 PHE 22 0.213 0.560 3.972
158 HZ PHE 22 HZ PHE 22 2.389 0.398 2.829
159 H THR 23 H THR 23 -3.869 -4.125 2.446
160 HA THR 23 HA THR 23 -5.390 -5.935 1.205
161 HB THR 23 HB THR 23 -6.574 -3.465 2.486
162 HG1 THR 23 HG1 THR 23 -5.805 -5.945 3.669
163 HG21 THR 23 3HG2 THR 23 -7.715 -6.250 2.413
164 HG22 THR 23 1HG2 THR 23 -8.108 -5.031 1.201
165 HG23 THR 23 2HG2 THR 23 -8.516 -4.755 2.894
166 H GLN 24 H GLN 24 -5.303 -2.507 0.363
167 HA GLN 24 HA GLN 24 -6.609 -3.172 -2.179
168 HB2 GLN 24 1HB GLN 24 -7.335 -0.885 -0.346
169 HB3 GLN 24 2HB GLN 24 -7.832 -0.971 -2.031
170 HG2 GLN 24 1HG GLN 24 -8.470 -3.135 -0.052
171 HG3 GLN 24 2HG GLN 24 -9.509 -1.732 -0.298
172 HE21 GLN 24 1HE2 GLN 24 -11.238 -2.637 -1.238
173 HE22 GLN 24 2HE2 GLN 24 -11.205 -3.515 -2.725
174 H SER 25 H SER 25 -6.283 -1.476 -3.842
175 HA SER 25 HA SER 25 -3.557 -0.820 -4.077
176 HB2 SER 25 1HB SER 25 -5.042 -1.179 -6.018
177 HB3 SER 25 2HB SER 25 -5.901 0.311 -5.627
178 HG SER 25 HG SER 25 -3.116 0.208 -6.142
179 H SER 26 H SER 26 -6.360 1.365 -3.746
180 HA SER 26 HA SER 26 -5.184 3.780 -3.554
181 HB2 SER 26 1HB SER 26 -6.984 4.459 -1.996
182 HB3 SER 26 2HB SER 26 -7.598 3.481 -3.328
183 HG SER 26 HG SER 26 -7.175 2.729 -0.637
184 H SER 27 H SER 27 -5.363 1.402 -0.933
185 HA SER 27 HA SER 27 -4.113 2.995 1.032
186 HB2 SER 27 1HB SER 27 -5.409 1.004 1.618
187 HB3 SER 27 2HB SER 27 -4.240 -0.021 0.786
188 HG SER 27 HG SER 27 -2.754 1.263 2.392
189 H LEU 28 H LEU 28 -2.861 0.811 -1.422
190 HA LEU 28 HA LEU 28 -0.173 0.829 -0.459
191 HB2 LEU 28 1HB LEU 28 -0.607 -1.018 -1.754
192 HB3 LEU 28 2HB LEU 28 -1.558 -0.106 -2.924
193 HG LEU 28 HG LEU 28 0.455 0.784 -3.924
194 HD11 LEU 28 1HD1 LEU 28 1.627 -0.002 -1.433
195 HD12 LEU 28 2HD1 LEU 28 2.297 1.008 -2.713
196 HD13 LEU 28 3HD1 LEU 28 2.508 -0.742 -2.769
197 HD21 LEU 28 3HD2 LEU 28 -0.189 -2.017 -3.794
198 HD22 LEU 28 1HD2 LEU 28 1.536 -1.787 -4.078
199 HD23 LEU 28 2HD2 LEU 28 0.358 -1.053 -5.167
200 H THR 29 H THR 29 -1.894 2.555 -3.036
201 HA THR 29 HA THR 29 0.204 3.927 -4.189
202 HB THR 29 HB THR 29 -2.592 4.973 -3.702
203 HG1 THR 29 HG1 THR 29 -2.964 4.130 -5.800
204 HG21 THR 29 3HG2 THR 29 -0.269 6.158 -4.951
205 HG22 THR 29 1HG2 THR 29 -1.842 6.873 -4.604
206 HG23 THR 29 2HG2 THR 29 -1.591 5.979 -6.103
207 H VAL 30 H VAL 30 -1.811 4.986 -1.448
208 HA VAL 30 HA VAL 30 -0.574 7.425 -0.959
209 HB VAL 30 HB VAL 30 -2.673 6.645 0.130
210 HG11 VAL 30 1HG1 VAL 30 -0.886 4.615 1.138
211 HG12 VAL 30 2HG1 VAL 30 -1.730 5.433 2.454
212 HG13 VAL 30 3HG1 VAL 30 -2.649 4.671 1.156
213 HG21 VAL 30 3HG2 VAL 30 -0.445 7.704 1.855
214 HG22 VAL 30 1HG2 VAL 30 -1.689 8.617 1.000
215 HG23 VAL 30 2HG2 VAL 30 -2.123 7.624 2.392
216 H HIS 31 H HIS 31 0.530 4.212 -0.323
217 HA HIS 31 HA HIS 31 2.533 5.009 1.598
218 HB2 HIS 31 1HB HIS 31 1.957 2.842 2.055
219 HB3 HIS 31 2HB HIS 31 1.638 2.457 0.366
220 HD1 HIS 31 HD1 HIS 31 4.657 3.133 2.583
221 HD2 HIS 31 HD2 HIS 31 3.557 0.918 -0.755
222 HE1 HIS 31 HE1 HIS 31 6.669 1.739 2.009
223 H GLN 32 H GLN 32 2.287 4.646 -1.830
224 HA GLN 32 HA GLN 32 4.995 4.261 -2.474
225 HB2 GLN 32 1HB GLN 32 2.924 5.742 -4.101
226 HB3 GLN 32 2HB GLN 32 4.405 5.011 -4.704
227 HG2 GLN 32 1HG GLN 32 2.470 3.268 -3.284
228 HG3 GLN 32 2HG GLN 32 2.064 3.814 -4.910
229 HE21 GLN 32 1HE2 GLN 32 4.022 1.748 -3.001
230 HE22 GLN 32 2HE2 GLN 32 4.837 0.950 -4.299
231 H ARG 33 H ARG 33 3.149 7.136 -1.702
232 HA ARG 33 HA ARG 33 4.826 9.128 -2.632
233 HB2 ARG 33 1HB ARG 33 3.764 10.593 -1.107
234 HB3 ARG 33 2HB ARG 33 2.558 9.383 -1.522
235 HG2 ARG 33 1HG ARG 33 3.256 8.175 0.598
236 HG3 ARG 33 2HG ARG 33 4.124 9.652 1.022
237 HD2 ARG 33 1HD ARG 33 1.261 9.824 0.203
238 HD3 ARG 33 2HD ARG 33 1.659 9.267 1.828
239 HE ARG 33 HE ARG 33 3.007 11.692 1.149
240 HH11 ARG 33 1HH1 ARG 33 -0.013 10.365 2.262
241 HH12 ARG 33 2HH1 ARG 33 -0.501 11.815 3.074
242 HH21 ARG 33 1HH2 ARG 33 2.376 13.607 2.215
243 HH22 ARG 33 2HH2 ARG 33 0.858 13.659 3.046
244 H ILE 34 H ILE 34 5.249 6.969 0.052
245 HA ILE 34 HA ILE 34 7.177 8.426 1.502
246 HB ILE 34 HB ILE 34 6.502 5.508 1.338
247 HG12 ILE 34 1HG1 ILE 34 6.251 6.148 3.910
248 HG13 ILE 34 2HG1 ILE 34 6.092 7.768 3.241
249 HG21 ILE 34 1HG2 ILE 34 8.775 6.739 2.888
250 HG22 ILE 34 2HG2 ILE 34 8.136 5.120 3.168
251 HG23 ILE 34 3HG2 ILE 34 8.887 5.517 1.622
252 HD11 ILE 34 3HD1 ILE 34 4.289 5.424 2.993
253 HD12 ILE 34 1HD1 ILE 34 3.910 7.118 3.303
254 HD13 ILE 34 2HD1 ILE 34 4.345 6.595 1.675
255 H HIS 35 H HIS 35 7.481 6.026 -1.090
256 HA HIS 35 HA HIS 35 10.330 6.028 -1.090
257 HB2 HIS 35 1HB HIS 35 8.447 5.190 -3.304
258 HB3 HIS 35 2HB HIS 35 10.145 4.746 -3.151
259 HD1 HIS 35 HD1 HIS 35 10.540 3.535 -0.578
260 HD2 HIS 35 HD2 HIS 35 6.885 3.148 -2.515
261 HE1 HIS 35 HE1 HIS 35 9.444 1.518 0.450
262 H THR 36 H THR 36 7.893 7.995 -2.576
263 HA THR 36 HA THR 36 9.755 9.192 -4.460
264 HB THR 36 HB THR 36 7.915 10.422 -5.334
265 HG1 THR 36 HG1 THR 36 5.809 10.157 -4.141
266 HG21 THR 36 3HG2 THR 36 7.398 7.573 -4.650
267 HG22 THR 36 1HG2 THR 36 7.617 8.334 -6.225
268 HG23 THR 36 2HG2 THR 36 6.085 8.504 -5.368
269 H GLY 37 H GLY 37 10.586 9.528 -1.830
270 HA2 GLY 37 1HA GLY 37 11.110 12.266 -1.712
271 HA3 GLY 37 2HA GLY 37 9.742 11.956 -0.653
272 H GLU 38 H GLU 38 10.446 9.456 0.351
273 HA GLU 38 HA GLU 38 12.447 10.245 2.273
274 HB2 GLU 38 1HB GLU 38 10.911 7.654 2.014
275 HB3 GLU 38 2HB GLU 38 11.895 8.130 3.391
276 HG2 GLU 38 1HG GLU 38 10.314 10.203 3.440
277 HG3 GLU 38 2HG GLU 38 9.239 9.155 2.516
278 H LYS 39 H LYS 39 14.510 9.582 2.398
279 HA LYS 39 HA LYS 39 15.992 8.726 0.306
280 HB2 LYS 39 1HB LYS 39 16.360 8.328 3.257
281 HB3 LYS 39 2HB LYS 39 17.530 7.664 2.124
282 HG2 LYS 39 1HG LYS 39 18.013 9.858 1.261
283 HG3 LYS 39 2HG LYS 39 16.741 10.567 2.259
284 HD2 LYS 39 1HD LYS 39 17.934 10.093 4.260
285 HD3 LYS 39 2HD LYS 39 19.096 9.077 3.404
286 HE2 LYS 39 1HE LYS 39 20.147 11.173 3.862
287 HE3 LYS 39 2HE LYS 39 19.815 11.100 2.133
288 HZ1 LYS 39 3HZ LYS 39 18.365 12.790 2.256
289 HZ2 LYS 39 1HZ LYS 39 19.178 13.171 3.689
290 HZ3 LYS 39 2HZ LYS 39 17.729 12.301 3.745
291 HA PRO 40 HA PRO 40 14.495 4.590 -0.421
292 HB2 PRO 40 1HB PRO 40 16.125 4.079 -2.531
293 HB3 PRO 40 2HB PRO 40 14.675 5.082 -2.658
294 HG2 PRO 40 1HG PRO 40 17.537 5.916 -2.378
295 HG3 PRO 40 2HG PRO 40 16.275 6.583 -3.431
296 HD2 PRO 40 1HD PRO 40 17.002 7.760 -1.103
297 HD3 PRO 40 2HD PRO 40 15.344 7.834 -1.734
298 H SER 41 H SER 41 15.089 2.818 0.645
299 HA SER 41 HA SER 41 17.962 2.251 0.959
300 HB2 SER 41 1HB SER 41 17.495 1.381 3.217
301 HB3 SER 41 2HB SER 41 17.058 3.085 3.084
302 HG SER 41 HG SER 41 15.101 1.158 2.552
303 H GLY 42 H GLY 42 17.881 0.803 -0.795
304 HA2 GLY 42 1HA GLY 42 16.391 -1.685 -0.221
305 HA3 GLY 42 2HA GLY 42 16.599 -1.060 -1.850
306 HA PRO 43 HA PRO 43 19.892 -4.208 -1.250
307 HB2 PRO 43 1HB PRO 43 19.748 -5.152 -3.791
308 HB3 PRO 43 2HB PRO 43 18.688 -5.719 -2.495
309 HG2 PRO 43 1HG PRO 43 18.143 -3.709 -4.645
310 HG3 PRO 43 2HG PRO 43 17.099 -5.007 -4.036
311 HD2 PRO 43 1HD PRO 43 16.808 -2.424 -3.275
312 HD3 PRO 43 2HD PRO 43 16.442 -3.784 -2.195
313 H SER 44 H SER 44 21.902 -3.450 -1.352
314 HA SER 44 HA SER 44 22.669 -1.791 -3.664
315 HB2 SER 44 1HB SER 44 23.398 -1.635 -0.760
316 HB3 SER 44 2HB SER 44 24.530 -1.035 -1.972
317 HG SER 44 HG SER 44 22.441 0.213 -0.988
318 H SER 45 H SER 45 23.388 -3.477 -4.957
319 HA SER 45 HA SER 45 25.686 -5.006 -3.928
320 HB2 SER 45 1HB SER 45 25.179 -6.606 -5.796
321 HB3 SER 45 2HB SER 45 23.904 -6.489 -4.584
322 HG SER 45 HG SER 45 22.620 -5.532 -5.997
323 H GLY 46 H GLY 46 24.446 -3.634 -6.983
324 HA2 GLY 46 1HA GLY 46 26.834 -2.199 -7.518
325 HA3 GLY 46 2HA GLY 46 26.822 -3.707 -8.421
Start of MODEL 6
1 H1 GLY 1 H GLY 1 5.484 -20.735 1.316
2 HA2 GLY 1 1HA GLY 1 6.501 -20.202 -0.712
3 HA3 GLY 1 2HA GLY 1 7.932 -21.083 -0.198
4 H SER 2 H SER 2 6.984 -23.575 0.316
5 HA SER 2 HA SER 2 6.622 -24.602 -2.330
6 HB2 SER 2 1HB SER 2 6.726 -26.801 -1.282
7 HB3 SER 2 2HB SER 2 7.987 -25.764 -0.614
8 HG SER 2 HG SER 2 6.256 -27.094 0.751
9 H SER 3 H SER 3 4.850 -25.577 -3.235
10 HA SER 3 HA SER 3 2.649 -25.949 -3.669
11 HB2 SER 3 1HB SER 3 2.638 -26.399 -0.679
12 HB3 SER 3 2HB SER 3 1.243 -26.711 -1.713
13 HG SER 3 HG SER 3 3.787 -27.861 -2.182
14 H GLY 4 H GLY 4 3.396 -23.280 -3.507
15 HA2 GLY 4 1HA GLY 4 1.205 -21.971 -2.048
16 HA3 GLY 4 2HA GLY 4 2.641 -21.171 -2.670
17 H SER 5 H SER 5 2.189 -19.840 -4.279
18 HA SER 5 HA SER 5 0.403 -20.735 -6.412
19 HB2 SER 5 1HB SER 5 -1.132 -19.486 -5.093
20 HB3 SER 5 2HB SER 5 0.046 -18.207 -4.801
21 HG SER 5 HG SER 5 -0.089 -17.672 -7.010
22 H SER 6 H SER 6 0.990 -20.050 -8.412
23 HA SER 6 HA SER 6 3.542 -19.334 -9.021
24 HB2 SER 6 1HB SER 6 2.147 -20.058 -10.798
25 HB3 SER 6 2HB SER 6 0.978 -18.770 -10.509
26 HG SER 6 HG SER 6 2.214 -18.181 -12.260
27 H GLY 7 H GLY 7 0.824 -17.012 -9.049
28 HA2 GLY 7 1HA GLY 7 1.773 -15.006 -7.523
29 HA3 GLY 7 2HA GLY 7 2.677 -14.786 -9.014
30 H ALA 8 H ALA 8 -0.686 -15.814 -8.554
31 HA ALA 8 HA ALA 8 -1.761 -13.279 -9.343
32 HB1 ALA 8 3HB ALA 8 -1.840 -13.524 -11.545
33 HB2 ALA 8 1HB ALA 8 -1.024 -15.082 -11.409
34 HB3 ALA 8 2HB ALA 8 -2.785 -15.000 -11.351
35 H GLY 9 H GLY 9 -3.735 -13.081 -8.487
36 HA2 GLY 9 1HA GLY 9 -5.976 -14.350 -8.475
37 HA3 GLY 9 2HA GLY 9 -5.065 -15.536 -7.552
38 H LYS 10 H LYS 10 -3.752 -14.368 -5.684
39 HA LYS 10 HA LYS 10 -5.785 -13.091 -4.051
40 HB2 LYS 10 1HB LYS 10 -4.173 -13.394 -2.212
41 HB3 LYS 10 2HB LYS 10 -4.487 -14.898 -3.067
42 HG2 LYS 10 1HG LYS 10 -2.388 -14.632 -4.298
43 HG3 LYS 10 2HG LYS 10 -2.071 -13.133 -3.420
44 HD2 LYS 10 1HD LYS 10 -2.631 -15.593 -1.843
45 HD3 LYS 10 2HD LYS 10 -1.059 -15.451 -2.634
46 HE2 LYS 10 1HE LYS 10 -2.079 -13.139 -1.059
47 HE3 LYS 10 2HE LYS 10 -1.460 -14.542 -0.190
48 HZ1 LYS 10 3HZ LYS 10 0.533 -13.633 -0.479
49 HZ2 LYS 10 1HZ LYS 10 -0.033 -12.516 -1.617
50 HZ3 LYS 10 2HZ LYS 10 0.415 -14.071 -2.109
51 H LYS 11 H LYS 11 -2.504 -12.379 -5.207
52 HA LYS 11 HA LYS 11 -2.740 -9.634 -4.237
53 HB2 LYS 11 1HB LYS 11 -0.636 -11.206 -4.078
54 HB3 LYS 11 2HB LYS 11 -0.354 -10.657 -5.725
55 HG2 LYS 11 1HG LYS 11 0.901 -9.264 -4.264
56 HG3 LYS 11 2HG LYS 11 -0.450 -8.312 -4.883
57 HD2 LYS 11 1HD LYS 11 -0.129 -7.942 -2.488
58 HD3 LYS 11 2HD LYS 11 -1.686 -8.709 -2.812
59 HE2 LYS 11 1HE LYS 11 -0.852 -10.842 -2.123
60 HE3 LYS 11 2HE LYS 11 0.796 -10.224 -2.020
61 HZ1 LYS 11 3HZ LYS 11 -0.067 -8.677 -0.260
62 HZ2 LYS 11 1HZ LYS 11 -0.030 -10.314 0.169
63 HZ3 LYS 11 2HZ LYS 11 -1.495 -9.584 -0.254
64 H LEU 12 H LEU 12 -2.107 -7.852 -5.688
65 HA LEU 12 HA LEU 12 -2.689 -8.379 -8.517
66 HB2 LEU 12 1HB LEU 12 -3.790 -5.888 -8.050
67 HB3 LEU 12 2HB LEU 12 -4.667 -7.394 -8.314
68 HG LEU 12 HG LEU 12 -5.527 -6.192 -6.377
69 HD11 LEU 12 1HD1 LEU 12 -4.224 -8.380 -4.957
70 HD12 LEU 12 2HD1 LEU 12 -4.906 -8.856 -6.513
71 HD13 LEU 12 3HD1 LEU 12 -5.933 -8.101 -5.294
72 HD21 LEU 12 3HD2 LEU 12 -2.934 -5.467 -5.917
73 HD22 LEU 12 1HD2 LEU 12 -3.202 -6.690 -4.675
74 HD23 LEU 12 2HD2 LEU 12 -4.261 -5.283 -4.769
75 H PHE 13 H PHE 13 -1.267 -6.309 -6.070
76 HA PHE 13 HA PHE 13 0.559 -5.255 -8.115
77 HB2 PHE 13 1HB PHE 13 0.511 -3.097 -6.634
78 HB3 PHE 13 2HB PHE 13 -0.750 -3.363 -7.833
79 HD1 PHE 13 HD1 PHE 13 -0.068 -4.224 -4.265
80 HD2 PHE 13 HD2 PHE 13 -2.899 -2.942 -7.172
81 HE1 PHE 13 HE1 PHE 13 -1.775 -4.019 -2.506
82 HE2 PHE 13 HE2 PHE 13 -4.611 -2.733 -5.418
83 HZ PHE 13 HZ PHE 13 -4.051 -3.271 -3.081
84 H LYS 14 H LYS 14 2.662 -4.826 -7.421
85 HA LYS 14 HA LYS 14 3.326 -5.564 -4.660
86 HB2 LYS 14 1HB LYS 14 3.963 -7.567 -5.551
87 HB3 LYS 14 2HB LYS 14 4.215 -6.896 -7.157
88 HG2 LYS 14 1HG LYS 14 6.377 -6.321 -6.733
89 HG3 LYS 14 2HG LYS 14 6.095 -6.091 -5.006
90 HD2 LYS 14 1HD LYS 14 5.844 -8.568 -4.796
91 HD3 LYS 14 2HD LYS 14 6.334 -8.708 -6.486
92 HE2 LYS 14 1HE LYS 14 8.420 -7.417 -5.830
93 HE3 LYS 14 2HE LYS 14 7.943 -7.694 -4.155
94 HZ1 LYS 14 3HZ LYS 14 9.323 -9.422 -5.858
95 HZ2 LYS 14 1HZ LYS 14 7.819 -10.130 -5.539
96 HZ3 LYS 14 2HZ LYS 14 8.839 -9.699 -4.260
97 H CYS 15 H CYS 15 4.342 -3.891 -3.790
98 HA CYS 15 HA CYS 15 5.460 -1.768 -5.272
99 HB2 CYS 15 1HB CYS 15 4.599 -1.504 -2.980
100 HB3 CYS 15 2HB CYS 15 5.912 -2.508 -2.373
101 H ASN 16 H ASN 16 7.252 -1.850 -6.444
102 HA ASN 16 HA ASN 16 9.312 -3.802 -5.895
103 HB2 ASN 16 1HB ASN 16 8.433 -2.952 -8.215
104 HB3 ASN 16 2HB ASN 16 9.588 -1.648 -7.960
105 HD21 ASN 16 1HD2 ASN 16 9.168 -5.035 -8.550
106 HD22 ASN 16 2HD2 ASN 16 10.817 -5.385 -8.927
107 H GLU 17 H GLU 17 8.755 -1.460 -4.071
108 HA GLU 17 HA GLU 17 11.432 -0.234 -4.126
109 HB2 GLU 17 1HB GLU 17 9.083 0.831 -2.576
110 HB3 GLU 17 2HB GLU 17 10.553 1.673 -3.047
111 HG2 GLU 17 1HG GLU 17 9.698 1.198 -5.468
112 HG3 GLU 17 2HG GLU 17 8.139 1.023 -4.664
113 H CYS 18 H CYS 18 8.994 -1.709 -2.035
114 HA CYS 18 HA CYS 18 11.137 -2.389 -0.143
115 HB2 CYS 18 1HB CYS 18 9.726 -1.888 1.752
116 HB3 CYS 18 2HB CYS 18 9.821 -0.460 0.727
117 H LYS 19 H LYS 19 8.878 -3.499 -2.207
118 HA LYS 19 HA LYS 19 7.900 -5.520 -2.572
119 HB2 LYS 19 1HB LYS 19 9.913 -6.254 -0.459
120 HB3 LYS 19 2HB LYS 19 8.809 -7.451 -1.125
121 HG2 LYS 19 1HG LYS 19 10.730 -7.705 -2.398
122 HG3 LYS 19 2HG LYS 19 9.693 -6.701 -3.414
123 HD2 LYS 19 1HD LYS 19 11.676 -5.553 -3.567
124 HD3 LYS 19 2HD LYS 19 10.936 -4.738 -2.187
125 HE2 LYS 19 1HE LYS 19 13.137 -5.169 -1.511
126 HE3 LYS 19 2HE LYS 19 12.180 -6.433 -0.740
127 HZ1 LYS 19 3HZ LYS 19 14.032 -6.646 -3.020
128 HZ2 LYS 19 1HZ LYS 19 12.787 -7.776 -2.835
129 HZ3 LYS 19 2HZ LYS 19 13.949 -7.592 -1.620
130 H LYS 20 H LYS 20 6.438 -3.766 -1.054
131 HA LYS 20 HA LYS 20 5.136 -5.533 0.913
132 HB2 LYS 20 1HB LYS 20 6.152 -3.583 1.988
133 HB3 LYS 20 2HB LYS 20 5.273 -2.512 0.905
134 HG2 LYS 20 1HG LYS 20 3.222 -2.976 1.920
135 HG3 LYS 20 2HG LYS 20 3.840 -4.429 2.709
136 HD2 LYS 20 1HD LYS 20 5.115 -1.823 3.367
137 HD3 LYS 20 2HD LYS 20 3.514 -2.158 4.030
138 HE2 LYS 20 1HE LYS 20 4.825 -3.033 5.687
139 HE3 LYS 20 2HE LYS 20 4.627 -4.457 4.667
140 HZ1 LYS 20 3HZ LYS 20 6.998 -3.318 5.463
141 HZ2 LYS 20 1HZ LYS 20 6.851 -2.899 3.831
142 HZ3 LYS 20 2HZ LYS 20 6.798 -4.525 4.295
143 H THR 21 H THR 21 2.808 -5.284 1.120
144 HA THR 21 HA THR 21 1.452 -4.037 -1.149
145 HB THR 21 HB THR 21 0.067 -6.091 -1.500
146 HG1 THR 21 HG1 THR 21 1.815 -7.023 0.466
147 HG21 THR 21 3HG2 THR 21 2.307 -5.403 -2.734
148 HG22 THR 21 1HG2 THR 21 1.486 -6.920 -3.098
149 HG23 THR 21 2HG2 THR 21 2.882 -6.909 -2.020
150 H PHE 22 H PHE 22 -1.059 -4.572 -0.836
151 HA PHE 22 HA PHE 22 -1.881 -4.675 1.927
152 HB2 PHE 22 1HB PHE 22 -2.548 -2.165 0.394
153 HB3 PHE 22 2HB PHE 22 -2.795 -2.492 2.107
154 HD1 PHE 22 HD1 PHE 22 -0.184 -1.947 -0.462
155 HD2 PHE 22 HD2 PHE 22 -1.157 -1.944 3.682
156 HE1 PHE 22 HE1 PHE 22 1.984 -0.899 0.043
157 HE2 PHE 22 HE2 PHE 22 1.009 -0.895 4.193
158 HZ PHE 22 HZ PHE 22 2.582 -0.370 2.373
159 H THR 23 H THR 23 -4.207 -4.735 2.171
160 HA THR 23 HA THR 23 -5.464 -6.058 -0.070
161 HB THR 23 HB THR 23 -5.740 -6.909 2.245
162 HG1 THR 23 HG1 THR 23 -7.384 -7.637 1.065
163 HG21 THR 23 3HG2 THR 23 -6.025 -4.403 3.064
164 HG22 THR 23 1HG2 THR 23 -6.765 -5.747 3.930
165 HG23 THR 23 2HG2 THR 23 -7.731 -4.774 2.821
166 H GLN 24 H GLN 24 -4.901 -3.057 0.040
167 HA GLN 24 HA GLN 24 -7.462 -2.270 -1.080
168 HB2 GLN 24 1HB GLN 24 -6.314 -1.125 1.424
169 HB3 GLN 24 2HB GLN 24 -7.130 -0.038 0.308
170 HG2 GLN 24 1HG GLN 24 -8.312 -2.487 1.598
171 HG3 GLN 24 2HG GLN 24 -8.654 -0.809 2.018
172 HE21 GLN 24 1HE2 GLN 24 -10.114 -3.258 0.746
173 HE22 GLN 24 2HE2 GLN 24 -11.018 -2.527 -0.532
174 H SER 25 H SER 25 -6.854 -1.633 -3.040
175 HA SER 25 HA SER 25 -4.395 -0.897 -3.946
176 HB2 SER 25 1HB SER 25 -5.440 -0.039 -5.881
177 HB3 SER 25 2HB SER 25 -6.574 -1.242 -5.268
178 HG SER 25 HG SER 25 -6.925 1.409 -5.618
179 H SER 26 H SER 26 -6.819 1.213 -2.478
180 HA SER 26 HA SER 26 -5.600 3.674 -2.923
181 HB2 SER 26 1HB SER 26 -7.407 2.665 -0.736
182 HB3 SER 26 2HB SER 26 -6.797 4.319 -0.722
183 HG SER 26 HG SER 26 -8.853 4.072 -1.779
184 H SER 27 H SER 27 -4.958 1.224 -0.496
185 HA SER 27 HA SER 27 -3.300 2.785 1.177
186 HB2 SER 27 1HB SER 27 -3.475 -0.200 0.734
187 HB3 SER 27 2HB SER 27 -2.437 0.536 1.955
188 HG SER 27 HG SER 27 -4.195 0.345 3.118
189 H LEU 28 H LEU 28 -2.521 0.489 -1.429
190 HA LEU 28 HA LEU 28 0.223 0.596 -1.365
191 HB2 LEU 28 1HB LEU 28 -0.886 -0.914 -2.835
192 HB3 LEU 28 2HB LEU 28 -1.650 0.409 -3.713
193 HG LEU 28 HG LEU 28 0.432 1.025 -4.726
194 HD11 LEU 28 1HD1 LEU 28 1.625 -0.984 -2.836
195 HD12 LEU 28 2HD1 LEU 28 2.013 0.727 -3.006
196 HD13 LEU 28 3HD1 LEU 28 2.470 -0.409 -4.274
197 HD21 LEU 28 3HD2 LEU 28 0.327 -0.595 -6.260
198 HD22 LEU 28 1HD2 LEU 28 -0.895 -1.328 -5.221
199 HD23 LEU 28 2HD2 LEU 28 0.788 -1.844 -5.102
200 H THR 29 H THR 29 -1.892 2.694 -3.327
201 HA THR 29 HA THR 29 0.040 4.340 -4.416
202 HB THR 29 HB THR 29 -2.809 4.927 -3.629
203 HG1 THR 29 HG1 THR 29 -1.477 4.494 -6.114
204 HG21 THR 29 3HG2 THR 29 -0.838 6.730 -5.031
205 HG22 THR 29 1HG2 THR 29 -1.715 7.056 -3.537
206 HG23 THR 29 2HG2 THR 29 -2.585 6.967 -5.068
207 H VAL 30 H VAL 30 -1.903 5.079 -1.511
208 HA VAL 30 HA VAL 30 -0.574 7.380 -0.737
209 HB VAL 30 HB VAL 30 -2.028 5.294 0.865
210 HG11 VAL 30 1HG1 VAL 30 -0.219 7.342 1.852
211 HG12 VAL 30 2HG1 VAL 30 -1.852 7.512 2.498
212 HG13 VAL 30 3HG1 VAL 30 -0.975 5.995 2.702
213 HG21 VAL 30 3HG2 VAL 30 -2.673 7.827 -0.460
214 HG22 VAL 30 1HG2 VAL 30 -3.712 6.463 -0.047
215 HG23 VAL 30 2HG2 VAL 30 -3.319 7.674 1.174
216 H HIS 31 H HIS 31 0.229 4.010 -0.079
217 HA HIS 31 HA HIS 31 2.355 4.579 1.730
218 HB2 HIS 31 1HB HIS 31 1.663 2.420 2.038
219 HB3 HIS 31 2HB HIS 31 1.313 2.173 0.330
220 HD1 HIS 31 HD1 HIS 31 4.349 2.467 2.600
221 HD2 HIS 31 HD2 HIS 31 3.168 0.673 -0.956
222 HE1 HIS 31 HE1 HIS 31 6.286 1.024 1.900
223 H GLN 32 H GLN 32 2.074 4.425 -1.720
224 HA GLN 32 HA GLN 32 4.834 4.053 -2.301
225 HB2 GLN 32 1HB GLN 32 2.668 3.824 -3.808
226 HB3 GLN 32 2HB GLN 32 3.038 5.499 -4.195
227 HG2 GLN 32 1HG GLN 32 4.144 4.383 -5.862
228 HG3 GLN 32 2HG GLN 32 5.423 4.587 -4.666
229 HE21 GLN 32 1HE2 GLN 32 2.789 2.295 -5.324
230 HE22 GLN 32 2HE2 GLN 32 3.747 0.873 -5.115
231 H ARG 33 H ARG 33 2.782 6.864 -1.803
232 HA ARG 33 HA ARG 33 4.413 8.882 -2.757
233 HB2 ARG 33 1HB ARG 33 2.671 8.964 -0.286
234 HB3 ARG 33 2HB ARG 33 3.270 10.363 -1.168
235 HG2 ARG 33 1HG ARG 33 1.792 10.096 -2.880
236 HG3 ARG 33 2HG ARG 33 1.692 8.347 -2.667
237 HD2 ARG 33 1HD ARG 33 -0.369 9.005 -1.891
238 HD3 ARG 33 2HD ARG 33 0.567 8.986 -0.396
239 HE ARG 33 HE ARG 33 0.859 11.523 -1.161
240 HH11 ARG 33 1HH1 ARG 33 -1.969 9.499 -1.006
241 HH12 ARG 33 2HH1 ARG 33 -3.053 10.813 -0.690
242 HH21 ARG 33 1HH2 ARG 33 -0.557 13.262 -0.745
243 HH22 ARG 33 2HH2 ARG 33 -2.248 12.954 -0.543
244 H ILE 34 H ILE 34 4.987 6.758 -0.170
245 HA ILE 34 HA ILE 34 6.665 8.465 1.398
246 HB ILE 34 HB ILE 34 6.195 5.499 1.358
247 HG12 ILE 34 1HG1 ILE 34 5.603 6.159 3.815
248 HG13 ILE 34 2HG1 ILE 34 5.535 7.797 3.173
249 HG21 ILE 34 1HG2 ILE 34 8.234 7.002 2.989
250 HG22 ILE 34 2HG2 ILE 34 7.690 5.364 3.346
251 HG23 ILE 34 3HG2 ILE 34 8.534 5.703 1.835
252 HD11 ILE 34 3HD1 ILE 34 3.605 5.673 3.001
253 HD12 ILE 34 1HD1 ILE 34 3.432 7.387 2.626
254 HD13 ILE 34 2HD1 ILE 34 4.035 6.272 1.399
255 H HIS 35 H HIS 35 7.331 5.745 -0.808
256 HA HIS 35 HA HIS 35 10.144 6.066 -0.742
257 HB2 HIS 35 1HB HIS 35 8.589 4.802 -2.995
258 HB3 HIS 35 2HB HIS 35 10.227 4.430 -2.466
259 HD1 HIS 35 HD1 HIS 35 10.331 3.346 0.053
260 HD2 HIS 35 HD2 HIS 35 6.703 3.154 -1.962
261 HE1 HIS 35 HE1 HIS 35 9.007 1.554 1.220
262 H THR 36 H THR 36 7.622 7.262 -2.900
263 HA THR 36 HA THR 36 9.526 8.531 -4.666
264 HB THR 36 HB THR 36 7.596 7.780 -5.785
265 HG1 THR 36 HG1 THR 36 7.352 9.603 -6.827
266 HG21 THR 36 3HG2 THR 36 6.271 8.507 -3.330
267 HG22 THR 36 1HG2 THR 36 5.728 7.431 -4.617
268 HG23 THR 36 2HG2 THR 36 5.406 9.162 -4.720
269 H GLY 37 H GLY 37 7.444 9.438 -1.996
270 HA2 GLY 37 1HA GLY 37 7.363 12.193 -2.274
271 HA3 GLY 37 2HA GLY 37 7.363 11.352 -0.731
272 H GLU 38 H GLU 38 9.877 10.235 -0.700
273 HA GLU 38 HA GLU 38 11.479 12.144 0.383
274 HB2 GLU 38 1HB GLU 38 12.251 9.644 -1.115
275 HB3 GLU 38 2HB GLU 38 13.428 10.641 -0.272
276 HG2 GLU 38 1HG GLU 38 12.089 10.314 1.812
277 HG3 GLU 38 2HG GLU 38 11.106 9.152 0.923
278 H LYS 39 H LYS 39 13.136 13.495 -0.291
279 HA LYS 39 HA LYS 39 12.924 14.384 -3.053
280 HB2 LYS 39 1HB LYS 39 14.283 16.297 -2.308
281 HB3 LYS 39 2HB LYS 39 12.857 16.076 -1.304
282 HG2 LYS 39 1HG LYS 39 14.396 16.421 0.324
283 HG3 LYS 39 2HG LYS 39 14.558 14.670 0.159
284 HD2 LYS 39 1HD LYS 39 16.419 15.088 -1.468
285 HD3 LYS 39 2HD LYS 39 16.322 16.799 -1.045
286 HE2 LYS 39 1HE LYS 39 16.528 15.844 1.406
287 HE3 LYS 39 2HE LYS 39 17.276 14.485 0.569
288 HZ1 LYS 39 3HZ LYS 39 18.356 16.855 -0.456
289 HZ2 LYS 39 1HZ LYS 39 19.139 15.643 0.429
290 HZ3 LYS 39 2HZ LYS 39 18.421 16.947 1.232
291 HA PRO 40 HA PRO 40 16.585 12.363 -4.429
292 HB2 PRO 40 1HB PRO 40 17.203 13.975 -6.525
293 HB3 PRO 40 2HB PRO 40 15.860 12.826 -6.560
294 HG2 PRO 40 1HG PRO 40 15.817 15.775 -6.044
295 HG3 PRO 40 2HG PRO 40 14.720 14.797 -7.036
296 HD2 PRO 40 1HD PRO 40 14.086 15.609 -4.533
297 HD3 PRO 40 2HD PRO 40 13.513 14.072 -5.211
298 H SER 41 H SER 41 18.446 12.454 -3.347
299 HA SER 41 HA SER 41 19.912 15.004 -3.288
300 HB2 SER 41 1HB SER 41 18.817 14.536 -1.081
301 HB3 SER 41 2HB SER 41 19.780 13.063 -0.970
302 HG SER 41 HG SER 41 21.653 14.445 -1.152
303 H GLY 42 H GLY 42 21.894 14.834 -4.098
304 HA2 GLY 42 1HA GLY 42 23.439 12.397 -3.712
305 HA3 GLY 42 2HA GLY 42 23.042 12.797 -5.376
306 HA PRO 43 HA PRO 43 26.711 15.337 -3.514
307 HB2 PRO 43 1HB PRO 43 28.801 13.624 -3.773
308 HB3 PRO 43 2HB PRO 43 27.847 13.758 -2.291
309 HG2 PRO 43 1HG PRO 43 27.660 11.733 -4.488
310 HG3 PRO 43 2HG PRO 43 27.594 11.489 -2.733
311 HD2 PRO 43 1HD PRO 43 25.373 11.540 -4.281
312 HD3 PRO 43 2HD PRO 43 25.380 12.117 -2.602
313 H SER 44 H SER 44 25.792 13.688 -6.261
314 HA SER 44 HA SER 44 27.377 15.428 -7.946
315 HB2 SER 44 1HB SER 44 28.690 13.237 -7.507
316 HB3 SER 44 2HB SER 44 27.493 12.485 -8.563
317 HG SER 44 HG SER 44 29.342 13.200 -9.714
318 H SER 45 H SER 45 25.942 16.277 -9.286
319 HA SER 45 HA SER 45 23.352 15.586 -9.687
320 HB2 SER 45 1HB SER 45 24.649 17.617 -10.592
321 HB3 SER 45 2HB SER 45 25.006 16.605 -11.991
322 HG SER 45 HG SER 45 22.915 16.598 -12.545
323 H GLY 46 H GLY 46 22.292 13.927 -10.547
324 HA2 GLY 46 1HA GLY 46 23.386 12.501 -12.834
325 HA3 GLY 46 2HA GLY 46 23.225 11.560 -11.359
Start of MODEL 7
1 H1 GLY 1 H GLY 1 21.097 -16.948 0.790
2 HA2 GLY 1 1HA GLY 1 19.275 -14.885 1.403
3 HA3 GLY 1 2HA GLY 1 18.970 -16.229 0.313
4 H SER 2 H SER 2 18.312 -14.858 3.360
5 HA SER 2 HA SER 2 17.281 -17.273 4.560
6 HB2 SER 2 1HB SER 2 16.607 -15.819 6.411
7 HB3 SER 2 2HB SER 2 18.276 -15.489 5.949
8 HG SER 2 HG SER 2 16.956 -13.589 6.262
9 H SER 3 H SER 3 16.068 -17.034 2.162
10 HA SER 3 HA SER 3 13.296 -16.505 2.935
11 HB2 SER 3 1HB SER 3 14.279 -14.525 1.656
12 HB3 SER 3 2HB SER 3 14.351 -15.597 0.257
13 HG SER 3 HG SER 3 12.147 -14.480 1.540
14 H GLY 4 H GLY 4 11.728 -17.631 1.645
15 HA2 GLY 4 1HA GLY 4 12.761 -20.175 0.689
16 HA3 GLY 4 2HA GLY 4 11.072 -19.766 0.954
17 H SER 5 H SER 5 9.839 -19.167 -0.740
18 HA SER 5 HA SER 5 10.873 -18.044 -3.137
19 HB2 SER 5 1HB SER 5 11.579 -20.497 -3.287
20 HB3 SER 5 2HB SER 5 9.864 -20.871 -3.452
21 HG SER 5 HG SER 5 11.252 -20.460 -5.431
22 H SER 6 H SER 6 9.292 -16.877 -4.005
23 HA SER 6 HA SER 6 6.544 -17.835 -3.943
24 HB2 SER 6 1HB SER 6 7.395 -15.216 -2.686
25 HB3 SER 6 2HB SER 6 5.722 -15.666 -3.018
26 HG SER 6 HG SER 6 7.537 -16.844 -1.201
27 H GLY 7 H GLY 7 5.503 -17.349 -5.776
28 HA2 GLY 7 1HA GLY 7 6.823 -15.479 -7.624
29 HA3 GLY 7 2HA GLY 7 5.735 -16.777 -8.092
30 H ALA 8 H ALA 8 3.684 -16.269 -8.516
31 HA ALA 8 HA ALA 8 2.477 -13.922 -7.272
32 HB1 ALA 8 3HB ALA 8 2.059 -14.105 -10.194
33 HB2 ALA 8 1HB ALA 8 2.155 -12.690 -9.145
34 HB3 ALA 8 2HB ALA 8 3.630 -13.519 -9.647
35 H GLY 9 H GLY 9 0.122 -13.783 -7.731
36 HA2 GLY 9 1HA GLY 9 -1.450 -15.643 -8.980
37 HA3 GLY 9 2HA GLY 9 -1.066 -16.379 -7.431
38 H LYS 10 H LYS 10 -1.951 -15.548 -5.548
39 HA LYS 10 HA LYS 10 -4.478 -14.324 -5.785
40 HB2 LYS 10 1HB LYS 10 -4.406 -14.192 -3.309
41 HB3 LYS 10 2HB LYS 10 -3.987 -15.786 -3.923
42 HG2 LYS 10 1HG LYS 10 -1.629 -15.325 -3.575
43 HG3 LYS 10 2HG LYS 10 -2.016 -13.696 -3.015
44 HD2 LYS 10 1HD LYS 10 -3.483 -14.878 -1.260
45 HD3 LYS 10 2HD LYS 10 -2.575 -16.330 -1.688
46 HE2 LYS 10 1HE LYS 10 -1.067 -13.840 -1.065
47 HE3 LYS 10 2HE LYS 10 -1.797 -14.733 0.268
48 HZ1 LYS 10 3HZ LYS 10 0.603 -15.283 -0.507
49 HZ2 LYS 10 1HZ LYS 10 -0.178 -16.179 -1.711
50 HZ3 LYS 10 2HZ LYS 10 -0.449 -16.537 -0.081
51 H LYS 11 H LYS 11 -1.326 -13.059 -4.773
52 HA LYS 11 HA LYS 11 -1.872 -10.587 -3.852
53 HB2 LYS 11 1HB LYS 11 0.406 -11.528 -4.245
54 HB3 LYS 11 2HB LYS 11 0.235 -11.133 -5.950
55 HG2 LYS 11 1HG LYS 11 1.444 -9.345 -5.159
56 HG3 LYS 11 2HG LYS 11 -0.208 -8.727 -5.086
57 HD2 LYS 11 1HD LYS 11 0.494 -8.143 -2.996
58 HD3 LYS 11 2HD LYS 11 -0.093 -9.772 -2.651
59 HE2 LYS 11 1HE LYS 11 2.377 -10.430 -3.286
60 HE3 LYS 11 2HE LYS 11 2.701 -8.752 -2.850
61 HZ1 LYS 11 3HZ LYS 11 2.266 -9.136 -0.679
62 HZ2 LYS 11 1HZ LYS 11 2.732 -10.710 -1.088
63 HZ3 LYS 11 2HZ LYS 11 1.091 -10.313 -0.987
64 H LEU 12 H LEU 12 -2.061 -8.471 -4.774
65 HA LEU 12 HA LEU 12 -3.125 -8.426 -7.516
66 HB2 LEU 12 1HB LEU 12 -4.564 -6.465 -6.397
67 HB3 LEU 12 2HB LEU 12 -5.124 -8.131 -6.526
68 HG LEU 12 HG LEU 12 -5.538 -7.058 -4.313
69 HD11 LEU 12 1HD1 LEU 12 -5.135 -9.580 -4.814
70 HD12 LEU 12 2HD1 LEU 12 -5.202 -9.014 -3.145
71 HD13 LEU 12 3HD1 LEU 12 -3.643 -9.329 -3.907
72 HD21 LEU 12 3HD2 LEU 12 -3.919 -6.134 -3.081
73 HD22 LEU 12 1HD2 LEU 12 -2.958 -6.149 -4.560
74 HD23 LEU 12 2HD2 LEU 12 -2.801 -7.462 -3.393
75 H PHE 13 H PHE 13 -1.142 -7.033 -5.107
76 HA PHE 13 HA PHE 13 -0.362 -4.917 -6.987
77 HB2 PHE 13 1HB PHE 13 -0.494 -4.445 -4.012
78 HB3 PHE 13 2HB PHE 13 -0.267 -3.257 -5.290
79 HD1 PHE 13 HD2 PHE 13 -2.343 -3.715 -7.169
80 HD2 PHE 13 HD1 PHE 13 -2.477 -4.078 -2.930
81 HE1 PHE 13 HE2 PHE 13 -4.768 -3.302 -7.214
82 HE2 PHE 13 HE1 PHE 13 -4.903 -3.667 -2.968
83 HZ PHE 13 HZ PHE 13 -6.051 -3.277 -5.112
84 H LYS 14 H LYS 14 1.814 -4.371 -6.986
85 HA LYS 14 HA LYS 14 3.579 -5.865 -5.182
86 HB2 LYS 14 1HB LYS 14 3.721 -7.279 -7.023
87 HB3 LYS 14 2HB LYS 14 3.546 -5.962 -8.175
88 HG2 LYS 14 1HG LYS 14 5.777 -6.696 -8.339
89 HG3 LYS 14 2HG LYS 14 5.826 -5.175 -7.445
90 HD2 LYS 14 1HD LYS 14 5.631 -6.812 -5.372
91 HD3 LYS 14 2HD LYS 14 6.345 -7.952 -6.514
92 HE2 LYS 14 1HE LYS 14 7.978 -5.901 -6.942
93 HE3 LYS 14 2HE LYS 14 7.493 -5.499 -5.295
94 HZ1 LYS 14 3HZ LYS 14 9.535 -6.962 -5.603
95 HZ2 LYS 14 1HZ LYS 14 8.454 -8.203 -5.996
96 HZ3 LYS 14 2HZ LYS 14 8.383 -7.471 -4.473
97 H CYS 15 H CYS 15 4.497 -4.234 -4.092
98 HA CYS 15 HA CYS 15 5.173 -1.742 -5.396
99 HB2 CYS 15 1HB CYS 15 4.303 -1.653 -3.134
100 HB3 CYS 15 2HB CYS 15 5.590 -2.709 -2.561
101 H ASN 16 H ASN 16 6.914 -1.734 -6.669
102 HA ASN 16 HA ASN 16 9.169 -3.455 -6.192
103 HB2 ASN 16 1HB ASN 16 8.936 -1.188 -8.180
104 HB3 ASN 16 2HB ASN 16 10.084 -2.522 -8.224
105 HD21 ASN 16 1HD2 ASN 16 7.467 -1.402 -9.688
106 HD22 ASN 16 2HD2 ASN 16 6.707 -2.875 -10.174
107 H GLU 17 H GLU 17 8.789 -1.845 -3.982
108 HA GLU 17 HA GLU 17 11.235 -0.223 -4.049
109 HB2 GLU 17 1HB GLU 17 8.820 0.659 -2.488
110 HB3 GLU 17 2HB GLU 17 10.253 1.588 -2.904
111 HG2 GLU 17 1HG GLU 17 9.397 1.108 -5.362
112 HG3 GLU 17 2HG GLU 17 7.852 0.970 -4.525
113 H CYS 18 H CYS 18 8.782 -1.764 -1.997
114 HA CYS 18 HA CYS 18 10.935 -2.574 -0.170
115 HB2 CYS 18 1HB CYS 18 9.544 -2.105 1.767
116 HB3 CYS 18 2HB CYS 18 9.737 -0.640 0.809
117 H LYS 19 H LYS 19 8.812 -3.640 -2.290
118 HA LYS 19 HA LYS 19 7.705 -5.590 -2.679
119 HB2 LYS 19 1HB LYS 19 9.550 -6.544 -0.482
120 HB3 LYS 19 2HB LYS 19 8.585 -7.605 -1.500
121 HG2 LYS 19 1HG LYS 19 10.703 -7.641 -2.467
122 HG3 LYS 19 2HG LYS 19 9.788 -6.515 -3.472
123 HD2 LYS 19 1HD LYS 19 10.808 -4.631 -2.414
124 HD3 LYS 19 2HD LYS 19 11.554 -5.656 -1.185
125 HE2 LYS 19 1HE LYS 19 12.150 -5.940 -4.120
126 HE3 LYS 19 2HE LYS 19 13.057 -4.854 -3.068
127 HZ1 LYS 19 3HZ LYS 19 13.318 -6.976 -1.629
128 HZ2 LYS 19 1HZ LYS 19 14.308 -6.758 -2.984
129 HZ3 LYS 19 2HZ LYS 19 12.972 -7.792 -3.069
130 H LYS 20 H LYS 20 6.207 -3.898 -1.220
131 HA LYS 20 HA LYS 20 4.877 -5.672 0.720
132 HB2 LYS 20 1HB LYS 20 6.024 -3.732 1.799
133 HB3 LYS 20 2HB LYS 20 4.993 -2.655 0.866
134 HG2 LYS 20 1HG LYS 20 3.027 -3.835 1.947
135 HG3 LYS 20 2HG LYS 20 4.202 -4.559 3.047
136 HD2 LYS 20 1HD LYS 20 4.953 -2.013 3.274
137 HD3 LYS 20 2HD LYS 20 3.264 -1.751 2.836
138 HE2 LYS 20 1HE LYS 20 2.715 -3.438 4.676
139 HE3 LYS 20 2HE LYS 20 4.382 -3.218 5.207
140 HZ1 LYS 20 3HZ LYS 20 3.923 -0.824 5.398
141 HZ2 LYS 20 1HZ LYS 20 2.951 -1.752 6.426
142 HZ3 LYS 20 2HZ LYS 20 2.303 -1.109 5.002
143 H THR 21 H THR 21 2.592 -5.538 0.824
144 HA THR 21 HA THR 21 1.314 -4.155 -1.438
145 HB THR 21 HB THR 21 1.559 -6.567 -1.962
146 HG1 THR 21 HG1 THR 21 -0.235 -6.159 -2.993
147 HG21 THR 21 3HG2 THR 21 -0.056 -6.867 0.561
148 HG22 THR 21 1HG2 THR 21 1.483 -7.624 0.153
149 HG23 THR 21 2HG2 THR 21 0.009 -8.120 -0.678
150 H PHE 22 H PHE 22 -1.176 -4.247 -1.138
151 HA PHE 22 HA PHE 22 -1.965 -4.091 1.667
152 HB2 PHE 22 1HB PHE 22 -2.303 -1.801 -0.282
153 HB3 PHE 22 2HB PHE 22 -3.028 -1.876 1.320
154 HD1 PHE 22 HD1 PHE 22 0.291 -2.058 -0.360
155 HD2 PHE 22 HD2 PHE 22 -1.913 -0.934 3.103
156 HE1 PHE 22 HE1 PHE 22 2.318 -1.045 0.597
157 HE2 PHE 22 HE2 PHE 22 0.110 0.082 4.065
158 HZ PHE 22 HZ PHE 22 2.229 0.028 2.812
159 H THR 23 H THR 23 -4.287 -4.032 1.968
160 HA THR 23 HA THR 23 -5.644 -5.594 -0.064
161 HB THR 23 HB THR 23 -5.846 -6.234 2.310
162 HG1 THR 23 HG1 THR 23 -8.403 -5.369 1.465
163 HG21 THR 23 3HG2 THR 23 -7.042 -3.493 2.522
164 HG22 THR 23 1HG2 THR 23 -5.833 -4.261 3.549
165 HG23 THR 23 2HG2 THR 23 -7.519 -4.770 3.640
166 H GLN 24 H GLN 24 -5.045 -2.567 -0.187
167 HA GLN 24 HA GLN 24 -7.586 -1.869 -1.387
168 HB2 GLN 24 1HB GLN 24 -6.565 -0.616 1.113
169 HB3 GLN 24 2HB GLN 24 -7.312 0.436 -0.081
170 HG2 GLN 24 1HG GLN 24 -9.298 -1.095 -0.040
171 HG3 GLN 24 2HG GLN 24 -8.552 -1.903 1.338
172 HE21 GLN 24 1HE2 GLN 24 -9.363 -1.273 3.190
173 HE22 GLN 24 2HE2 GLN 24 -9.919 0.316 3.579
174 H SER 25 H SER 25 -7.019 -1.177 -3.332
175 HA SER 25 HA SER 25 -4.579 -0.547 -4.306
176 HB2 SER 25 1HB SER 25 -5.716 0.788 -6.062
177 HB3 SER 25 2HB SER 25 -6.535 -0.741 -5.747
178 HG SER 25 HG SER 25 -7.448 1.801 -5.457
179 H SER 26 H SER 26 -6.746 1.642 -2.594
180 HA SER 26 HA SER 26 -5.208 3.990 -3.012
181 HB2 SER 26 1HB SER 26 -7.613 3.993 -2.358
182 HB3 SER 26 2HB SER 26 -7.148 3.406 -0.761
183 HG SER 26 HG SER 26 -7.369 5.853 -1.357
184 H SER 27 H SER 27 -5.212 1.485 -0.550
185 HA SER 27 HA SER 27 -3.615 2.750 1.369
186 HB2 SER 27 1HB SER 27 -4.031 -0.156 0.677
187 HB3 SER 27 2HB SER 27 -2.991 0.348 2.009
188 HG SER 27 HG SER 27 -4.801 1.410 2.915
189 H LEU 28 H LEU 28 -2.740 0.805 -1.453
190 HA LEU 28 HA LEU 28 0.045 0.766 -0.946
191 HB2 LEU 28 1HB LEU 28 -0.755 -0.869 -2.415
192 HB3 LEU 28 2HB LEU 28 -1.638 0.309 -3.384
193 HG LEU 28 HG LEU 28 0.425 1.126 -4.342
194 HD11 LEU 28 1HD1 LEU 28 1.660 -0.638 -2.277
195 HD12 LEU 28 2HD1 LEU 28 2.072 1.012 -2.741
196 HD13 LEU 28 3HD1 LEU 28 2.513 -0.335 -3.791
197 HD21 LEU 28 3HD2 LEU 28 0.562 -0.535 -5.848
198 HD22 LEU 28 1HD2 LEU 28 -0.737 -1.262 -4.902
199 HD23 LEU 28 2HD2 LEU 28 0.935 -1.751 -4.626
200 H THR 29 H THR 29 -1.907 2.732 -3.187
201 HA THR 29 HA THR 29 0.080 4.313 -4.253
202 HB THR 29 HB THR 29 -2.722 5.200 -3.536
203 HG1 THR 29 HG1 THR 29 -2.857 4.707 -5.952
204 HG21 THR 29 3HG2 THR 29 -2.443 6.867 -5.286
205 HG22 THR 29 1HG2 THR 29 -0.799 6.305 -5.588
206 HG23 THR 29 2HG2 THR 29 -1.201 7.071 -4.051
207 H VAL 30 H VAL 30 -1.889 5.050 -1.371
208 HA VAL 30 HA VAL 30 -0.591 7.431 -0.680
209 HB VAL 30 HB VAL 30 -2.761 6.639 0.275
210 HG11 VAL 30 1HG1 VAL 30 -0.978 4.582 1.374
211 HG12 VAL 30 2HG1 VAL 30 -2.127 5.265 2.526
212 HG13 VAL 30 3HG1 VAL 30 -2.707 4.524 1.034
213 HG21 VAL 30 3HG2 VAL 30 -0.564 7.922 1.688
214 HG22 VAL 30 1HG2 VAL 30 -2.261 8.388 1.571
215 HG23 VAL 30 2HG2 VAL 30 -1.753 7.205 2.776
216 H HIS 31 H HIS 31 0.408 4.159 -0.367
217 HA HIS 31 HA HIS 31 2.426 4.783 1.644
218 HB2 HIS 31 1HB HIS 31 1.704 2.685 2.168
219 HB3 HIS 31 2HB HIS 31 1.257 2.308 0.507
220 HD1 HIS 31 HD1 HIS 31 4.246 2.362 2.801
221 HD2 HIS 31 HD2 HIS 31 3.149 0.915 -0.936
222 HE1 HIS 31 HE1 HIS 31 6.125 0.851 2.087
223 H GLN 32 H GLN 32 2.102 4.745 -1.721
224 HA GLN 32 HA GLN 32 4.747 3.966 -2.434
225 HB2 GLN 32 1HB GLN 32 2.509 4.211 -3.856
226 HB3 GLN 32 2HB GLN 32 3.185 5.801 -4.183
227 HG2 GLN 32 1HG GLN 32 4.138 4.713 -5.904
228 HG3 GLN 32 2HG GLN 32 5.343 4.310 -4.682
229 HE21 GLN 32 1HE2 GLN 32 4.497 2.315 -3.307
230 HE22 GLN 32 2HE2 GLN 32 4.046 0.955 -4.272
231 H ARG 33 H ARG 33 3.143 7.115 -2.063
232 HA ARG 33 HA ARG 33 5.102 8.839 -2.839
233 HB2 ARG 33 1HB ARG 33 3.554 9.274 -0.289
234 HB3 ARG 33 2HB ARG 33 4.125 10.483 -1.432
235 HG2 ARG 33 1HG ARG 33 1.986 10.443 -2.118
236 HG3 ARG 33 2HG ARG 33 2.529 9.043 -3.044
237 HD2 ARG 33 1HD ARG 33 0.712 8.121 -2.028
238 HD3 ARG 33 2HD ARG 33 1.923 7.787 -0.792
239 HE ARG 33 HE ARG 33 0.717 9.108 0.608
240 HH11 ARG 33 1HH1 ARG 33 0.088 10.128 -2.660
241 HH12 ARG 33 2HH1 ARG 33 -1.058 11.343 -2.199
242 HH21 ARG 33 1HH2 ARG 33 -0.789 10.705 1.228
243 HH22 ARG 33 2HH2 ARG 33 -1.555 11.671 0.013
244 H ILE 34 H ILE 34 4.975 6.978 0.139
245 HA ILE 34 HA ILE 34 6.912 8.186 1.665
246 HB ILE 34 HB ILE 34 6.270 5.264 1.331
247 HG12 ILE 34 1HG1 ILE 34 5.291 5.601 3.609
248 HG13 ILE 34 2HG1 ILE 34 5.669 7.315 3.472
249 HG21 ILE 34 1HG2 ILE 34 8.592 6.416 2.550
250 HG22 ILE 34 2HG2 ILE 34 7.586 5.653 3.782
251 HG23 ILE 34 3HG2 ILE 34 8.141 4.718 2.393
252 HD11 ILE 34 3HD1 ILE 34 3.995 5.970 1.398
253 HD12 ILE 34 1HD1 ILE 34 3.288 6.492 2.927
254 HD13 ILE 34 2HD1 ILE 34 4.054 7.670 1.861
255 H HIS 35 H HIS 35 7.408 5.735 -0.864
256 HA HIS 35 HA HIS 35 10.247 5.754 -0.635
257 HB2 HIS 35 1HB HIS 35 8.652 4.866 -3.039
258 HB3 HIS 35 2HB HIS 35 10.257 4.327 -2.554
259 HD1 HIS 35 HD1 HIS 35 10.208 3.076 -0.059
260 HD2 HIS 35 HD2 HIS 35 6.711 3.143 -2.301
261 HE1 HIS 35 HE1 HIS 35 8.772 1.237 0.880
262 H THR 36 H THR 36 7.921 7.553 -2.521
263 HA THR 36 HA THR 36 10.143 9.086 -3.708
264 HB THR 36 HB THR 36 9.054 7.890 -5.490
265 HG1 THR 36 HG1 THR 36 8.253 10.625 -5.384
266 HG21 THR 36 3HG2 THR 36 6.897 7.345 -5.416
267 HG22 THR 36 1HG2 THR 36 6.446 9.047 -5.494
268 HG23 THR 36 2HG2 THR 36 6.722 8.278 -3.930
269 H GLY 37 H GLY 37 9.457 9.968 -1.333
270 HA2 GLY 37 1HA GLY 37 8.474 12.579 -1.804
271 HA3 GLY 37 2HA GLY 37 7.222 11.607 -1.045
272 H GLU 38 H GLU 38 8.881 10.024 0.609
273 HA GLU 38 HA GLU 38 8.928 11.250 2.974
274 HB2 GLU 38 1HB GLU 38 10.634 9.748 3.728
275 HB3 GLU 38 2HB GLU 38 9.665 8.901 2.531
276 HG2 GLU 38 1HG GLU 38 11.351 9.122 0.881
277 HG3 GLU 38 2HG GLU 38 12.267 10.252 1.876
278 H LYS 39 H LYS 39 10.291 12.535 4.225
279 HA LYS 39 HA LYS 39 11.398 14.767 3.159
280 HB2 LYS 39 1HB LYS 39 12.231 13.275 5.647
281 HB3 LYS 39 2HB LYS 39 12.835 14.876 5.243
282 HG2 LYS 39 1HG LYS 39 10.658 15.825 5.411
283 HG3 LYS 39 2HG LYS 39 9.913 14.230 5.549
284 HD2 LYS 39 1HD LYS 39 9.956 14.884 7.753
285 HD3 LYS 39 2HD LYS 39 11.488 14.014 7.634
286 HE2 LYS 39 1HE LYS 39 12.739 15.975 7.604
287 HE3 LYS 39 2HE LYS 39 11.362 16.961 7.116
288 HZ1 LYS 39 3HZ LYS 39 10.892 17.367 9.228
289 HZ2 LYS 39 1HZ LYS 39 12.313 16.567 9.679
290 HZ3 LYS 39 2HZ LYS 39 10.852 15.719 9.607
291 HA PRO 40 HA PRO 40 15.153 13.769 1.113
292 HB2 PRO 40 1HB PRO 40 16.593 16.028 1.552
293 HB3 PRO 40 2HB PRO 40 15.223 15.964 0.437
294 HG2 PRO 40 1HG PRO 40 15.324 16.966 3.256
295 HG3 PRO 40 2HG PRO 40 14.519 17.675 1.844
296 HD2 PRO 40 1HD PRO 40 13.185 16.246 3.718
297 HD3 PRO 40 2HD PRO 40 12.709 16.258 2.007
298 H SER 41 H SER 41 16.341 12.183 2.017
299 HA SER 41 HA SER 41 17.974 12.866 4.374
300 HB2 SER 41 1HB SER 41 17.885 10.529 5.039
301 HB3 SER 41 2HB SER 41 16.243 11.136 4.823
302 HG SER 41 HG SER 41 17.566 9.161 3.479
303 H GLY 42 H GLY 42 19.912 11.227 4.516
304 HA2 GLY 42 1HA GLY 42 21.849 11.831 2.770
305 HA3 GLY 42 2HA GLY 42 21.771 10.245 3.524
306 HA PRO 43 HA PRO 43 20.903 10.253 -1.223
307 HB2 PRO 43 1HB PRO 43 23.416 10.136 -2.244
308 HB3 PRO 43 2HB PRO 43 22.547 11.657 -2.002
309 HG2 PRO 43 1HG PRO 43 24.638 10.376 -0.284
310 HG3 PRO 43 2HG PRO 43 24.459 12.079 -0.747
311 HD2 PRO 43 1HD PRO 43 23.673 11.135 1.667
312 HD3 PRO 43 2HD PRO 43 22.842 12.473 0.848
313 H SER 44 H SER 44 22.440 8.505 1.164
314 HA SER 44 HA SER 44 23.511 6.304 -0.195
315 HB2 SER 44 1HB SER 44 22.176 6.312 2.522
316 HB3 SER 44 2HB SER 44 23.311 5.104 1.920
317 HG SER 44 HG SER 44 23.927 7.858 2.216
318 H SER 45 H SER 45 20.396 6.358 1.543
319 HA SER 45 HA SER 45 19.233 4.750 -0.622
320 HB2 SER 45 1HB SER 45 19.905 3.225 1.212
321 HB3 SER 45 2HB SER 45 18.899 4.149 2.328
322 HG SER 45 HG SER 45 17.733 3.160 -0.014
323 H GLY 46 H GLY 46 16.859 4.741 -0.607
324 HA2 GLY 46 1HA GLY 46 15.272 6.360 1.020
325 HA3 GLY 46 2HA GLY 46 15.821 7.355 -0.320
Start of MODEL 8
1 H1 GLY 1 H GLY 1 13.539 -25.193 2.716
2 HA2 GLY 1 1HA GLY 1 11.786 -23.280 1.541
3 HA3 GLY 1 2HA GLY 1 12.551 -22.624 2.981
4 H SER 2 H SER 2 13.125 -23.917 -0.235
5 HA SER 2 HA SER 2 15.793 -22.664 -0.190
6 HB2 SER 2 1HB SER 2 14.805 -25.200 -1.425
7 HB3 SER 2 2HB SER 2 16.098 -24.317 -2.236
8 HG SER 2 HG SER 2 16.115 -25.685 0.179
9 H SER 3 H SER 3 13.173 -23.560 -2.438
10 HA SER 3 HA SER 3 13.546 -20.967 -3.771
11 HB2 SER 3 1HB SER 3 13.314 -23.675 -5.093
12 HB3 SER 3 2HB SER 3 13.066 -22.157 -5.957
13 HG SER 3 HG SER 3 15.240 -21.605 -5.094
14 H GLY 4 H GLY 4 11.423 -23.829 -3.605
15 HA2 GLY 4 1HA GLY 4 9.137 -24.012 -3.537
16 HA3 GLY 4 2HA GLY 4 9.150 -22.431 -2.769
17 H SER 5 H SER 5 8.221 -24.176 -5.481
18 HA SER 5 HA SER 5 8.391 -22.688 -7.692
19 HB2 SER 5 1HB SER 5 5.963 -24.060 -6.552
20 HB3 SER 5 2HB SER 5 5.926 -23.287 -8.137
21 HG SER 5 HG SER 5 7.376 -25.534 -7.281
22 H SER 6 H SER 6 7.681 -20.787 -8.524
23 HA SER 6 HA SER 6 7.066 -18.665 -6.821
24 HB2 SER 6 1HB SER 6 7.977 -18.652 -9.255
25 HB3 SER 6 2HB SER 6 6.277 -18.643 -9.723
26 HG SER 6 HG SER 6 7.560 -16.749 -8.040
27 H GLY 7 H GLY 7 5.209 -17.727 -6.134
28 HA2 GLY 7 1HA GLY 7 2.664 -18.108 -7.296
29 HA3 GLY 7 2HA GLY 7 2.859 -19.229 -5.956
30 H ALA 8 H ALA 8 1.370 -16.528 -6.619
31 HA ALA 8 HA ALA 8 1.913 -15.326 -3.982
32 HB1 ALA 8 3HB ALA 8 2.094 -14.115 -6.533
33 HB2 ALA 8 1HB ALA 8 0.704 -13.413 -5.705
34 HB3 ALA 8 2HB ALA 8 2.296 -13.368 -4.948
35 H GLY 9 H GLY 9 0.203 -14.969 -2.665
36 HA2 GLY 9 1HA GLY 9 -2.448 -15.721 -3.724
37 HA3 GLY 9 2HA GLY 9 -1.936 -15.968 -2.061
38 H LYS 10 H LYS 10 -4.311 -14.628 -2.909
39 HA LYS 10 HA LYS 10 -5.397 -12.584 -2.835
40 HB2 LYS 10 1HB LYS 10 -5.449 -11.741 -0.580
41 HB3 LYS 10 2HB LYS 10 -5.329 -13.494 -0.517
42 HG2 LYS 10 1HG LYS 10 -3.222 -13.460 0.348
43 HG3 LYS 10 2HG LYS 10 -2.812 -11.923 -0.417
44 HD2 LYS 10 1HD LYS 10 -4.686 -12.271 1.924
45 HD3 LYS 10 2HD LYS 10 -3.012 -11.719 2.026
46 HE2 LYS 10 1HE LYS 10 -4.005 -9.685 1.951
47 HE3 LYS 10 2HE LYS 10 -3.929 -9.978 0.214
48 HZ1 LYS 10 3HZ LYS 10 -6.128 -9.950 0.102
49 HZ2 LYS 10 1HZ LYS 10 -6.186 -9.490 1.730
50 HZ3 LYS 10 2HZ LYS 10 -6.274 -11.126 1.309
51 H LYS 11 H LYS 11 -3.021 -12.301 -4.321
52 HA LYS 11 HA LYS 11 -2.146 -9.604 -3.516
53 HB2 LYS 11 1HB LYS 11 -0.483 -11.667 -3.696
54 HB3 LYS 11 2HB LYS 11 -0.517 -11.242 -5.402
55 HG2 LYS 11 1HG LYS 11 0.009 -9.133 -3.356
56 HG3 LYS 11 2HG LYS 11 1.299 -10.232 -3.850
57 HD2 LYS 11 1HD LYS 11 -0.351 -8.647 -5.808
58 HD3 LYS 11 2HD LYS 11 1.161 -8.052 -5.119
59 HE2 LYS 11 1HE LYS 11 1.097 -10.747 -6.397
60 HE3 LYS 11 2HE LYS 11 1.139 -9.311 -7.419
61 HZ1 LYS 11 3HZ LYS 11 3.359 -9.814 -7.117
62 HZ2 LYS 11 1HZ LYS 11 3.159 -10.273 -5.501
63 HZ3 LYS 11 2HZ LYS 11 3.102 -8.638 -5.929
64 H LEU 12 H LEU 12 -2.186 -7.979 -5.018
65 HA LEU 12 HA LEU 12 -3.086 -8.646 -7.732
66 HB2 LEU 12 1HB LEU 12 -4.386 -6.318 -7.329
67 HB3 LEU 12 2HB LEU 12 -5.116 -7.910 -7.132
68 HG LEU 12 HG LEU 12 -5.671 -6.369 -5.295
69 HD11 LEU 12 1HD1 LEU 12 -5.786 -8.111 -3.915
70 HD12 LEU 12 2HD1 LEU 12 -4.030 -8.234 -3.799
71 HD13 LEU 12 3HD1 LEU 12 -4.883 -9.012 -5.133
72 HD21 LEU 12 3HD2 LEU 12 -2.964 -6.552 -4.137
73 HD22 LEU 12 1HD2 LEU 12 -4.153 -5.252 -4.053
74 HD23 LEU 12 2HD2 LEU 12 -3.155 -5.442 -5.495
75 H PHE 13 H PHE 13 -1.509 -6.414 -5.543
76 HA PHE 13 HA PHE 13 -0.131 -5.223 -7.853
77 HB2 PHE 13 1HB PHE 13 -0.752 -3.608 -5.395
78 HB3 PHE 13 2HB PHE 13 -0.320 -3.044 -7.006
79 HD1 PHE 13 HD2 PHE 13 -2.164 -4.467 -8.730
80 HD2 PHE 13 HD1 PHE 13 -2.821 -2.722 -4.904
81 HE1 PHE 13 HE2 PHE 13 -4.548 -4.186 -9.271
82 HE2 PHE 13 HE1 PHE 13 -5.206 -2.439 -5.439
83 HZ PHE 13 HZ PHE 13 -6.072 -3.170 -7.625
84 H LYS 14 H LYS 14 2.035 -4.747 -7.579
85 HA LYS 14 HA LYS 14 3.241 -5.584 -5.026
86 HB2 LYS 14 1HB LYS 14 3.450 -7.182 -7.084
87 HB3 LYS 14 2HB LYS 14 4.648 -6.020 -7.638
88 HG2 LYS 14 1HG LYS 14 5.587 -6.375 -5.188
89 HG3 LYS 14 2HG LYS 14 4.751 -7.920 -5.365
90 HD2 LYS 14 1HD LYS 14 6.748 -8.523 -6.263
91 HD3 LYS 14 2HD LYS 14 6.007 -7.857 -7.720
92 HE2 LYS 14 1HE LYS 14 7.477 -5.987 -5.946
93 HE3 LYS 14 2HE LYS 14 8.430 -7.135 -6.885
94 HZ1 LYS 14 3HZ LYS 14 6.363 -5.414 -8.121
95 HZ2 LYS 14 1HZ LYS 14 7.602 -6.275 -8.888
96 HZ3 LYS 14 2HZ LYS 14 7.970 -4.914 -7.953
97 H CYS 15 H CYS 15 4.637 -4.184 -4.155
98 HA CYS 15 HA CYS 15 5.194 -1.718 -5.587
99 HB2 CYS 15 1HB CYS 15 4.444 -1.499 -3.301
100 HB3 CYS 15 2HB CYS 15 5.723 -2.569 -2.735
101 H ASN 16 H ASN 16 6.929 -1.586 -6.836
102 HA ASN 16 HA ASN 16 9.170 -3.372 -6.491
103 HB2 ASN 16 1HB ASN 16 9.013 -1.058 -8.419
104 HB3 ASN 16 2HB ASN 16 9.974 -2.527 -8.560
105 HD21 ASN 16 1HD2 ASN 16 9.234 -3.854 -10.032
106 HD22 ASN 16 2HD2 ASN 16 7.575 -4.107 -10.444
107 H GLU 17 H GLU 17 8.868 -1.774 -4.248
108 HA GLU 17 HA GLU 17 11.338 -0.189 -4.371
109 HB2 GLU 17 1HB GLU 17 8.939 0.690 -2.772
110 HB3 GLU 17 2HB GLU 17 10.406 1.599 -3.111
111 HG2 GLU 17 1HG GLU 17 9.593 1.239 -5.610
112 HG3 GLU 17 2HG GLU 17 8.027 1.129 -4.807
113 H CYS 18 H CYS 18 8.907 -1.609 -2.194
114 HA CYS 18 HA CYS 18 11.114 -2.468 -0.444
115 HB2 CYS 18 1HB CYS 18 9.673 -2.092 1.507
116 HB3 CYS 18 2HB CYS 18 9.929 -0.598 0.610
117 H LYS 19 H LYS 19 9.115 -3.611 -2.585
118 HA LYS 19 HA LYS 19 8.038 -5.577 -2.987
119 HB2 LYS 19 1HB LYS 19 9.659 -6.670 -0.689
120 HB3 LYS 19 2HB LYS 19 9.034 -7.551 -2.077
121 HG2 LYS 19 1HG LYS 19 11.178 -5.437 -2.152
122 HG3 LYS 19 2HG LYS 19 11.432 -7.180 -2.260
123 HD2 LYS 19 1HD LYS 19 9.726 -5.627 -4.199
124 HD3 LYS 19 2HD LYS 19 11.443 -5.947 -4.455
125 HE2 LYS 19 1HE LYS 19 9.379 -8.093 -3.993
126 HE3 LYS 19 2HE LYS 19 9.893 -7.552 -5.590
127 HZ1 LYS 19 3HZ LYS 19 11.456 -8.992 -3.543
128 HZ2 LYS 19 1HZ LYS 19 12.230 -8.104 -4.757
129 HZ3 LYS 19 2HZ LYS 19 11.215 -9.393 -5.169
130 H LYS 20 H LYS 20 6.528 -3.883 -1.474
131 HA LYS 20 HA LYS 20 5.322 -5.597 0.591
132 HB2 LYS 20 1HB LYS 20 6.077 -3.356 1.330
133 HB3 LYS 20 2HB LYS 20 4.986 -2.623 0.162
134 HG2 LYS 20 1HG LYS 20 3.114 -3.139 1.377
135 HG3 LYS 20 2HG LYS 20 3.875 -4.522 2.167
136 HD2 LYS 20 1HD LYS 20 4.931 -1.787 2.712
137 HD3 LYS 20 2HD LYS 20 3.424 -2.289 3.482
138 HE2 LYS 20 1HE LYS 20 5.095 -2.868 5.018
139 HE3 LYS 20 2HE LYS 20 4.696 -4.381 4.206
140 HZ1 LYS 20 3HZ LYS 20 7.141 -3.824 4.515
141 HZ2 LYS 20 1HZ LYS 20 6.930 -2.679 3.287
142 HZ3 LYS 20 2HZ LYS 20 6.655 -4.317 2.972
143 H THR 21 H THR 21 2.956 -5.557 0.753
144 HA THR 21 HA THR 21 1.611 -5.019 -1.805
145 HB THR 21 HB THR 21 0.242 -7.151 -1.302
146 HG1 THR 21 HG1 THR 21 1.864 -7.224 0.756
147 HG21 THR 21 3HG2 THR 21 3.044 -7.061 -2.361
148 HG22 THR 21 1HG2 THR 21 1.525 -7.220 -3.242
149 HG23 THR 21 2HG2 THR 21 2.155 -8.583 -2.315
150 H PHE 22 H PHE 22 -0.590 -4.513 -1.669
151 HA PHE 22 HA PHE 22 -1.702 -4.202 1.030
152 HB2 PHE 22 1HB PHE 22 -1.622 -2.072 -1.115
153 HB3 PHE 22 2HB PHE 22 -2.604 -1.968 0.343
154 HD1 PHE 22 HD1 PHE 22 0.874 -2.176 -0.895
155 HD2 PHE 22 HD2 PHE 22 -1.685 -1.239 2.375
156 HE1 PHE 22 HE1 PHE 22 2.781 -1.196 0.312
157 HE2 PHE 22 HE2 PHE 22 0.218 -0.256 3.587
158 HZ PHE 22 HZ PHE 22 2.454 -0.234 2.556
159 H THR 23 H THR 23 -3.845 -4.625 1.212
160 HA THR 23 HA THR 23 -5.142 -5.843 -1.069
161 HB THR 23 HB THR 23 -5.282 -6.849 1.206
162 HG1 THR 23 HG1 THR 23 -7.929 -6.237 0.619
163 HG21 THR 23 3HG2 THR 23 -6.717 -4.280 1.755
164 HG22 THR 23 1HG2 THR 23 -5.503 -5.111 2.727
165 HG23 THR 23 2HG2 THR 23 -7.149 -5.741 2.643
166 H GLN 24 H GLN 24 -4.677 -2.914 -1.018
167 HA GLN 24 HA GLN 24 -7.307 -2.133 -1.897
168 HB2 GLN 24 1HB GLN 24 -6.095 -1.049 0.615
169 HB3 GLN 24 2HB GLN 24 -7.066 0.012 -0.397
170 HG2 GLN 24 1HG GLN 24 -7.935 -2.541 0.930
171 HG3 GLN 24 2HG GLN 24 -8.464 -0.902 1.302
172 HE21 GLN 24 1HE2 GLN 24 -9.776 -3.477 0.294
173 HE22 GLN 24 2HE2 GLN 24 -10.752 -2.940 -1.026
174 H SER 25 H SER 25 -6.883 -1.235 -3.794
175 HA SER 25 HA SER 25 -4.509 -0.433 -4.830
176 HB2 SER 25 1HB SER 25 -5.769 0.950 -6.431
177 HB3 SER 25 2HB SER 25 -6.572 -0.596 -6.155
178 HG SER 25 HG SER 25 -7.280 1.957 -5.174
179 H SER 26 H SER 26 -6.713 1.542 -2.900
180 HA SER 26 HA SER 26 -5.192 3.940 -3.145
181 HB2 SER 26 1HB SER 26 -7.431 3.054 -1.339
182 HB3 SER 26 2HB SER 26 -6.612 4.595 -1.079
183 HG SER 26 HG SER 26 -7.581 5.392 -2.774
184 H SER 27 H SER 27 -5.249 1.267 -0.874
185 HA SER 27 HA SER 27 -3.717 2.433 1.175
186 HB2 SER 27 1HB SER 27 -4.214 -0.416 0.338
187 HB3 SER 27 2HB SER 27 -3.129 -0.035 1.675
188 HG SER 27 HG SER 27 -5.744 1.020 1.564
189 H LEU 28 H LEU 28 -2.776 0.554 -1.677
190 HA LEU 28 HA LEU 28 -0.007 0.489 -1.087
191 HB2 LEU 28 1HB LEU 28 -0.696 -1.117 -2.609
192 HB3 LEU 28 2HB LEU 28 -1.655 0.032 -3.538
193 HG LEU 28 HG LEU 28 0.352 0.977 -4.507
194 HD11 LEU 28 1HD1 LEU 28 2.206 0.902 -3.273
195 HD12 LEU 28 2HD1 LEU 28 2.413 -0.737 -3.889
196 HD13 LEU 28 3HD1 LEU 28 1.627 -0.474 -2.333
197 HD21 LEU 28 3HD2 LEU 28 1.194 -1.654 -5.120
198 HD22 LEU 28 1HD2 LEU 28 0.151 -0.589 -6.062
199 HD23 LEU 28 2HD2 LEU 28 -0.554 -1.694 -4.882
200 H THR 29 H THR 29 -1.845 2.469 -3.416
201 HA THR 29 HA THR 29 0.149 4.061 -4.394
202 HB THR 29 HB THR 29 -2.656 4.941 -3.682
203 HG1 THR 29 HG1 THR 29 -1.513 3.542 -5.824
204 HG21 THR 29 3HG2 THR 29 -0.794 6.706 -4.187
205 HG22 THR 29 1HG2 THR 29 -2.369 6.842 -4.967
206 HG23 THR 29 2HG2 THR 29 -1.002 6.165 -5.852
207 H VAL 30 H VAL 30 -1.953 5.064 -1.688
208 HA VAL 30 HA VAL 30 -0.587 7.307 -0.895
209 HB VAL 30 HB VAL 30 -2.727 6.680 0.085
210 HG11 VAL 30 1HG1 VAL 30 -1.986 4.208 0.266
211 HG12 VAL 30 2HG1 VAL 30 -1.364 4.683 1.848
212 HG13 VAL 30 3HG1 VAL 30 -3.080 4.865 1.483
213 HG21 VAL 30 3HG2 VAL 30 -2.089 7.058 2.541
214 HG22 VAL 30 1HG2 VAL 30 -0.426 7.125 1.957
215 HG23 VAL 30 2HG2 VAL 30 -1.615 8.287 1.369
216 H HIS 31 H HIS 31 0.200 3.953 -0.255
217 HA HIS 31 HA HIS 31 2.166 4.445 1.737
218 HB2 HIS 31 1HB HIS 31 1.578 2.249 1.852
219 HB3 HIS 31 2HB HIS 31 1.274 2.130 0.121
220 HD1 HIS 31 HD1 HIS 31 4.354 2.544 2.332
221 HD2 HIS 31 HD2 HIS 31 3.087 0.542 -1.081
222 HE1 HIS 31 HE1 HIS 31 6.314 1.144 1.607
223 H GLN 32 H GLN 32 2.183 4.469 -1.741
224 HA GLN 32 HA GLN 32 4.934 4.169 -2.201
225 HB2 GLN 32 1HB GLN 32 3.029 5.853 -3.829
226 HB3 GLN 32 2HB GLN 32 4.524 5.108 -4.379
227 HG2 GLN 32 1HG GLN 32 2.444 3.316 -3.277
228 HG3 GLN 32 2HG GLN 32 2.133 4.055 -4.847
229 HE21 GLN 32 1HE2 GLN 32 3.908 1.702 -3.109
230 HE22 GLN 32 2HE2 GLN 32 4.766 1.029 -4.449
231 H ARG 33 H ARG 33 3.001 6.964 -1.321
232 HA ARG 33 HA ARG 33 4.761 9.024 -1.868
233 HB2 ARG 33 1HB ARG 33 2.919 8.778 0.517
234 HB3 ARG 33 2HB ARG 33 3.628 10.273 -0.079
235 HG2 ARG 33 1HG ARG 33 2.312 10.266 -2.008
236 HG3 ARG 33 2HG ARG 33 1.893 8.562 -1.822
237 HD2 ARG 33 1HD ARG 33 0.709 9.217 0.310
238 HD3 ARG 33 2HD ARG 33 0.939 10.895 -0.178
239 HE ARG 33 HE ARG 33 -0.355 9.192 -2.130
240 HH11 ARG 33 1HH1 ARG 33 -0.739 11.447 0.495
241 HH12 ARG 33 2HH1 ARG 33 -2.357 11.882 0.056
242 HH21 ARG 33 1HH2 ARG 33 -2.485 9.757 -2.718
243 HH22 ARG 33 2HH2 ARG 33 -3.350 10.920 -1.771
244 H ILE 34 H ILE 34 4.783 6.720 0.770
245 HA ILE 34 HA ILE 34 6.568 7.975 2.504
246 HB ILE 34 HB ILE 34 5.972 5.083 1.968
247 HG12 ILE 34 1HG1 ILE 34 5.176 5.273 4.371
248 HG13 ILE 34 2HG1 ILE 34 5.453 7.006 4.238
249 HG21 ILE 34 1HG2 ILE 34 7.921 6.126 4.019
250 HG22 ILE 34 2HG2 ILE 34 7.394 4.453 3.838
251 HG23 ILE 34 3HG2 ILE 34 8.346 5.220 2.566
252 HD11 ILE 34 3HD1 ILE 34 3.804 5.814 2.116
253 HD12 ILE 34 1HD1 ILE 34 3.102 5.816 3.734
254 HD13 ILE 34 2HD1 ILE 34 3.613 7.333 2.992
255 H HIS 35 H HIS 35 7.169 5.993 -0.353
256 HA HIS 35 HA HIS 35 9.989 5.850 -0.015
257 HB2 HIS 35 1HB HIS 35 8.420 5.571 -2.584
258 HB3 HIS 35 2HB HIS 35 10.041 4.960 -2.264
259 HD1 HIS 35 HD1 HIS 35 9.689 3.488 0.337
260 HD2 HIS 35 HD2 HIS 35 6.883 3.351 -2.723
261 HE1 HIS 35 HE1 HIS 35 8.389 1.368 0.711
262 H THR 36 H THR 36 7.823 8.079 -1.646
263 HA THR 36 HA THR 36 9.867 9.507 -3.033
264 HB THR 36 HB THR 36 8.196 11.062 -3.667
265 HG1 THR 36 HG1 THR 36 6.027 10.493 -2.351
266 HG21 THR 36 3HG2 THR 36 7.275 8.233 -3.458
267 HG22 THR 36 1HG2 THR 36 7.672 9.184 -4.888
268 HG23 THR 36 2HG2 THR 36 6.146 9.452 -4.046
269 H GLY 37 H GLY 37 8.250 9.877 0.076
270 HA2 GLY 37 1HA GLY 37 9.575 12.403 0.613
271 HA3 GLY 37 2HA GLY 37 8.482 11.546 1.690
272 H GLU 38 H GLU 38 11.403 10.292 0.138
273 HA GLU 38 HA GLU 38 12.771 10.281 2.725
274 HB2 GLU 38 1HB GLU 38 12.106 7.872 1.060
275 HB3 GLU 38 2HB GLU 38 13.520 7.877 2.104
276 HG2 GLU 38 1HG GLU 38 12.047 8.405 4.021
277 HG3 GLU 38 2HG GLU 38 10.657 8.249 2.948
278 H LYS 39 H LYS 39 15.032 10.196 2.602
279 HA LYS 39 HA LYS 39 16.139 11.359 0.243
280 HB2 LYS 39 1HB LYS 39 18.277 11.266 1.468
281 HB3 LYS 39 2HB LYS 39 16.989 11.970 2.437
282 HG2 LYS 39 1HG LYS 39 17.895 10.588 3.988
283 HG3 LYS 39 2HG LYS 39 16.741 9.466 3.262
284 HD2 LYS 39 1HD LYS 39 18.652 8.190 3.246
285 HD3 LYS 39 2HD LYS 39 18.745 8.940 1.651
286 HE2 LYS 39 1HE LYS 39 20.121 10.767 2.810
287 HE3 LYS 39 2HE LYS 39 20.269 9.626 4.145
288 HZ1 LYS 39 3HZ LYS 39 21.628 9.660 1.633
289 HZ2 LYS 39 1HZ LYS 39 20.901 8.162 1.931
290 HZ3 LYS 39 2HZ LYS 39 21.999 8.806 3.045
291 HA PRO 40 HA PRO 40 17.198 7.670 -1.936
292 HB2 PRO 40 1HB PRO 40 19.020 8.743 -3.639
293 HB3 PRO 40 2HB PRO 40 17.279 8.992 -3.814
294 HG2 PRO 40 1HG PRO 40 19.339 10.800 -2.611
295 HG3 PRO 40 2HG PRO 40 17.994 11.202 -3.694
296 HD2 PRO 40 1HD PRO 40 17.881 11.606 -1.019
297 HD3 PRO 40 2HD PRO 40 16.449 11.192 -1.984
298 H SER 41 H SER 41 18.300 6.265 -0.659
299 HA SER 41 HA SER 41 20.939 6.876 0.337
300 HB2 SER 41 1HB SER 41 19.104 4.500 0.576
301 HB3 SER 41 2HB SER 41 20.773 4.428 1.141
302 HG SER 41 HG SER 41 19.244 6.610 1.949
303 H GLY 42 H GLY 42 22.688 5.160 0.072
304 HA2 GLY 42 1HA GLY 42 23.741 5.106 -2.410
305 HA3 GLY 42 2HA GLY 42 24.017 3.808 -1.258
306 HA PRO 43 HA PRO 43 21.542 2.449 -5.110
307 HB2 PRO 43 1HB PRO 43 23.548 1.267 -6.507
308 HB3 PRO 43 2HB PRO 43 23.098 2.963 -6.721
309 HG2 PRO 43 1HG PRO 43 25.337 1.786 -5.121
310 HG3 PRO 43 2HG PRO 43 25.347 3.206 -6.183
311 HD2 PRO 43 1HD PRO 43 25.183 3.403 -3.487
312 HD3 PRO 43 2HD PRO 43 24.406 4.568 -4.579
313 H SER 44 H SER 44 20.501 0.637 -4.604
314 HA SER 44 HA SER 44 22.057 -1.712 -3.771
315 HB2 SER 44 1HB SER 44 20.407 -2.251 -2.053
316 HB3 SER 44 2HB SER 44 21.079 -0.647 -1.758
317 HG SER 44 HG SER 44 18.816 -0.636 -1.551
318 H SER 45 H SER 45 21.118 -3.732 -4.268
319 HA SER 45 HA SER 45 19.080 -3.579 -6.385
320 HB2 SER 45 1HB SER 45 21.325 -4.487 -7.019
321 HB3 SER 45 2HB SER 45 21.066 -5.807 -5.879
322 HG SER 45 HG SER 45 19.989 -6.756 -7.397
323 H GLY 46 H GLY 46 17.126 -4.353 -5.958
324 HA2 GLY 46 1HA GLY 46 16.726 -5.933 -3.534
325 HA3 GLY 46 2HA GLY 46 15.471 -5.159 -4.490
Start of MODEL 9
1 H1 GLY 1 H GLY 1 9.503 -21.062 -0.964
2 HA2 GLY 1 1HA GLY 1 8.502 -23.222 -1.124
3 HA3 GLY 1 2HA GLY 1 8.197 -22.705 0.528
4 H SER 2 H SER 2 6.683 -24.479 -1.342
5 HA SER 2 HA SER 2 4.165 -22.983 -1.548
6 HB2 SER 2 1HB SER 2 5.058 -24.200 -3.568
7 HB3 SER 2 2HB SER 2 4.787 -25.711 -2.699
8 HG SER 2 HG SER 2 2.947 -23.920 -3.789
9 H SER 3 H SER 3 3.753 -23.079 0.726
10 HA SER 3 HA SER 3 2.909 -25.745 1.658
11 HB2 SER 3 1HB SER 3 3.317 -24.977 3.944
12 HB3 SER 3 2HB SER 3 4.777 -24.795 2.972
13 HG SER 3 HG SER 3 3.673 -22.542 2.650
14 H GLY 4 H GLY 4 1.211 -24.235 0.062
15 HA2 GLY 4 1HA GLY 4 -1.227 -24.335 0.784
16 HA3 GLY 4 2HA GLY 4 -0.744 -23.147 1.986
17 H SER 5 H SER 5 1.065 -21.743 0.191
18 HA SER 5 HA SER 5 -0.916 -20.079 -1.102
19 HB2 SER 5 1HB SER 5 2.078 -19.815 -0.770
20 HB3 SER 5 2HB SER 5 1.091 -18.637 -1.635
21 HG SER 5 HG SER 5 0.581 -19.423 1.039
22 H SER 6 H SER 6 -0.998 -22.450 -2.359
23 HA SER 6 HA SER 6 0.622 -22.188 -4.790
24 HB2 SER 6 1HB SER 6 0.663 -24.388 -3.712
25 HB3 SER 6 2HB SER 6 -1.094 -24.488 -3.820
26 HG SER 6 HG SER 6 0.748 -25.115 -5.670
27 H GLY 7 H GLY 7 -0.272 -21.040 -6.368
28 HA2 GLY 7 1HA GLY 7 -2.831 -21.715 -7.433
29 HA3 GLY 7 2HA GLY 7 -2.891 -20.191 -6.559
30 H ALA 8 H ALA 8 -3.507 -19.367 -8.711
31 HA ALA 8 HA ALA 8 -1.192 -19.008 -10.491
32 HB1 ALA 8 3HB ALA 8 -3.434 -18.030 -11.809
33 HB2 ALA 8 1HB ALA 8 -2.637 -19.580 -12.081
34 HB3 ALA 8 2HB ALA 8 -4.004 -19.473 -10.971
35 H GLY 9 H GLY 9 -1.454 -17.509 -8.064
36 HA2 GLY 9 1HA GLY 9 -0.722 -15.267 -7.749
37 HA3 GLY 9 2HA GLY 9 -1.542 -14.820 -9.237
38 H LYS 10 H LYS 10 -1.661 -14.604 -5.943
39 HA LYS 10 HA LYS 10 -4.590 -14.354 -5.880
40 HB2 LYS 10 1HB LYS 10 -4.351 -14.413 -3.420
41 HB3 LYS 10 2HB LYS 10 -3.708 -15.856 -4.193
42 HG2 LYS 10 1HG LYS 10 -1.506 -15.259 -3.760
43 HG3 LYS 10 2HG LYS 10 -1.915 -13.562 -3.500
44 HD2 LYS 10 1HD LYS 10 -1.497 -14.414 -1.353
45 HD3 LYS 10 2HD LYS 10 -3.257 -14.373 -1.484
46 HE2 LYS 10 1HE LYS 10 -2.992 -16.478 -0.651
47 HE3 LYS 10 2HE LYS 10 -2.886 -16.836 -2.374
48 HZ1 LYS 10 3HZ LYS 10 -0.914 -17.152 -0.342
49 HZ2 LYS 10 1HZ LYS 10 -0.326 -16.214 -1.621
50 HZ3 LYS 10 2HZ LYS 10 -0.936 -17.762 -1.920
51 H LYS 11 H LYS 11 -1.591 -12.626 -5.425
52 HA LYS 11 HA LYS 11 -2.792 -10.274 -4.313
53 HB2 LYS 11 1HB LYS 11 -0.269 -11.194 -4.327
54 HB3 LYS 11 2HB LYS 11 -0.170 -10.091 -5.693
55 HG2 LYS 11 1HG LYS 11 -0.414 -8.240 -4.397
56 HG3 LYS 11 2HG LYS 11 -1.404 -9.073 -3.197
57 HD2 LYS 11 1HD LYS 11 0.642 -8.636 -2.118
58 HD3 LYS 11 2HD LYS 11 0.711 -10.342 -2.565
59 HE2 LYS 11 1HE LYS 11 2.208 -9.943 -4.313
60 HE3 LYS 11 2HE LYS 11 1.835 -8.221 -4.361
61 HZ1 LYS 11 3HZ LYS 11 3.943 -9.392 -3.069
62 HZ2 LYS 11 1HZ LYS 11 2.864 -9.009 -1.823
63 HZ3 LYS 11 2HZ LYS 11 3.407 -7.799 -2.872
64 H LEU 12 H LEU 12 -2.566 -8.125 -5.407
65 HA LEU 12 HA LEU 12 -3.033 -8.332 -8.306
66 HB2 LEU 12 1HB LEU 12 -4.533 -6.170 -7.561
67 HB3 LEU 12 2HB LEU 12 -5.153 -7.784 -7.902
68 HG LEU 12 HG LEU 12 -6.101 -6.884 -5.847
69 HD11 LEU 12 1HD1 LEU 12 -5.119 -9.382 -6.216
70 HD12 LEU 12 2HD1 LEU 12 -6.084 -8.882 -4.828
71 HD13 LEU 12 3HD1 LEU 12 -4.325 -8.924 -4.709
72 HD21 LEU 12 3HD2 LEU 12 -4.292 -6.883 -3.895
73 HD22 LEU 12 1HD2 LEU 12 -4.676 -5.438 -4.830
74 HD23 LEU 12 2HD2 LEU 12 -3.246 -6.390 -5.227
75 H PHE 13 H PHE 13 -1.508 -6.757 -5.685
76 HA PHE 13 HA PHE 13 -0.260 -4.870 -7.557
77 HB2 PHE 13 1HB PHE 13 -1.414 -4.234 -4.843
78 HB3 PHE 13 2HB PHE 13 -0.226 -3.199 -5.631
79 HD1 PHE 13 HD1 PHE 13 -3.422 -4.919 -6.514
80 HD2 PHE 13 HD2 PHE 13 -1.056 -1.389 -6.754
81 HE1 PHE 13 HE1 PHE 13 -5.229 -3.797 -7.750
82 HE2 PHE 13 HE2 PHE 13 -2.860 -0.261 -7.990
83 HZ PHE 13 HZ PHE 13 -4.950 -1.464 -8.489
84 H LYS 14 H LYS 14 1.898 -4.436 -7.197
85 HA LYS 14 HA LYS 14 3.188 -5.741 -4.910
86 HB2 LYS 14 1HB LYS 14 3.719 -7.400 -6.391
87 HB3 LYS 14 2HB LYS 14 3.595 -6.340 -7.789
88 HG2 LYS 14 1HG LYS 14 5.767 -5.705 -7.677
89 HG3 LYS 14 2HG LYS 14 5.833 -5.842 -5.919
90 HD2 LYS 14 1HD LYS 14 5.506 -8.419 -6.507
91 HD3 LYS 14 2HD LYS 14 6.276 -7.901 -8.009
92 HE2 LYS 14 1HE LYS 14 8.175 -7.053 -6.804
93 HE3 LYS 14 2HE LYS 14 7.385 -7.359 -5.258
94 HZ1 LYS 14 3HZ LYS 14 8.848 -9.157 -6.945
95 HZ2 LYS 14 1HZ LYS 14 7.344 -9.780 -6.483
96 HZ3 LYS 14 2HZ LYS 14 8.456 -9.294 -5.305
97 H CYS 15 H CYS 15 4.279 -4.223 -3.865
98 HA CYS 15 HA CYS 15 5.083 -1.781 -5.166
99 HB2 CYS 15 1HB CYS 15 4.196 -1.920 -2.807
100 HB3 CYS 15 2HB CYS 15 5.723 -2.671 -2.351
101 H ASN 16 H ASN 16 6.796 -1.894 -6.483
102 HA ASN 16 HA ASN 16 9.018 -3.651 -5.939
103 HB2 ASN 16 1HB ASN 16 8.848 -1.521 -8.075
104 HB3 ASN 16 2HB ASN 16 9.890 -2.941 -8.055
105 HD21 ASN 16 1HD2 ASN 16 8.721 -5.056 -7.988
106 HD22 ASN 16 2HD2 ASN 16 7.299 -5.201 -8.958
107 H GLU 17 H GLU 17 8.656 -1.812 -3.870
108 HA GLU 17 HA GLU 17 11.144 -0.260 -4.094
109 HB2 GLU 17 1HB GLU 17 8.760 0.744 -2.554
110 HB3 GLU 17 2HB GLU 17 10.203 1.629 -3.029
111 HG2 GLU 17 1HG GLU 17 9.323 1.015 -5.452
112 HG3 GLU 17 2HG GLU 17 7.783 0.957 -4.597
113 H CYS 18 H CYS 18 8.758 -1.742 -1.939
114 HA CYS 18 HA CYS 18 10.939 -2.314 -0.050
115 HB2 CYS 18 1HB CYS 18 9.456 -1.885 1.834
116 HB3 CYS 18 2HB CYS 18 9.573 -0.449 0.822
117 H LYS 19 H LYS 19 8.684 -3.546 -2.076
118 HA LYS 19 HA LYS 19 7.821 -5.624 -2.412
119 HB2 LYS 19 1HB LYS 19 9.704 -6.375 -0.168
120 HB3 LYS 19 2HB LYS 19 8.850 -7.523 -1.191
121 HG2 LYS 19 1HG LYS 19 10.957 -7.428 -2.142
122 HG3 LYS 19 2HG LYS 19 10.018 -6.321 -3.146
123 HD2 LYS 19 1HD LYS 19 10.898 -4.421 -1.922
124 HD3 LYS 19 2HD LYS 19 11.770 -5.498 -0.829
125 HE2 LYS 19 1HE LYS 19 12.226 -5.510 -3.800
126 HE3 LYS 19 2HE LYS 19 13.100 -4.424 -2.722
127 HZ1 LYS 19 3HZ LYS 19 14.224 -6.150 -1.747
128 HZ2 LYS 19 1HZ LYS 19 14.088 -6.729 -3.330
129 HZ3 LYS 19 2HZ LYS 19 13.045 -7.301 -2.128
130 H LYS 20 H LYS 20 6.103 -4.098 -1.161
131 HA LYS 20 HA LYS 20 4.862 -5.894 0.795
132 HB2 LYS 20 1HB LYS 20 6.051 -3.970 1.942
133 HB3 LYS 20 2HB LYS 20 4.895 -2.898 1.160
134 HG2 LYS 20 1HG LYS 20 3.109 -3.712 2.403
135 HG3 LYS 20 2HG LYS 20 3.963 -5.194 2.839
136 HD2 LYS 20 1HD LYS 20 4.162 -4.045 4.805
137 HD3 LYS 20 2HD LYS 20 5.618 -3.476 3.984
138 HE2 LYS 20 1HE LYS 20 3.014 -2.007 3.741
139 HE3 LYS 20 2HE LYS 20 4.085 -1.744 5.116
140 HZ1 LYS 20 3HZ LYS 20 4.241 -0.545 2.641
141 HZ2 LYS 20 1HZ LYS 20 5.532 -1.637 2.680
142 HZ3 LYS 20 2HZ LYS 20 5.384 -0.460 3.885
143 H THR 21 H THR 21 2.522 -5.162 1.211
144 HA THR 21 HA THR 21 1.270 -3.773 -1.002
145 HB THR 21 HB THR 21 -0.290 -5.677 -1.477
146 HG1 THR 21 HG1 THR 21 -0.013 -7.545 -0.493
147 HG21 THR 21 3HG2 THR 21 1.327 -6.937 -2.882
148 HG22 THR 21 1HG2 THR 21 2.642 -6.094 -2.065
149 HG23 THR 21 2HG2 THR 21 1.485 -5.188 -3.040
150 H PHE 22 H PHE 22 -1.212 -3.871 -0.710
151 HA PHE 22 HA PHE 22 -1.964 -4.057 2.113
152 HB2 PHE 22 1HB PHE 22 -2.587 -1.629 0.423
153 HB3 PHE 22 2HB PHE 22 -2.986 -1.866 2.121
154 HD1 PHE 22 HD1 PHE 22 -0.028 -1.795 -0.147
155 HD2 PHE 22 HD2 PHE 22 -1.606 -0.950 3.715
156 HE1 PHE 22 HE1 PHE 22 2.106 -0.752 0.493
157 HE2 PHE 22 HE2 PHE 22 0.525 0.095 4.361
158 HZ PHE 22 HZ PHE 22 2.385 0.196 2.749
159 H THR 23 H THR 23 -3.981 -4.814 2.439
160 HA THR 23 HA THR 23 -5.389 -6.276 0.686
161 HB THR 23 HB THR 23 -5.990 -6.141 3.056
162 HG1 THR 23 HG1 THR 23 -8.385 -5.401 1.832
163 HG21 THR 23 3HG2 THR 23 -5.874 -3.534 2.965
164 HG22 THR 23 1HG2 THR 23 -7.004 -4.322 4.065
165 HG23 THR 23 2HG2 THR 23 -7.579 -3.661 2.534
166 H GLN 24 H GLN 24 -5.336 -2.802 0.815
167 HA GLN 24 HA GLN 24 -7.237 -2.722 -1.436
168 HB2 GLN 24 1HB GLN 24 -6.798 -0.728 0.785
169 HB3 GLN 24 2HB GLN 24 -7.686 -0.344 -0.683
170 HG2 GLN 24 1HG GLN 24 -9.425 -1.797 -0.160
171 HG3 GLN 24 2HG GLN 24 -8.454 -2.684 1.014
172 HE21 GLN 24 1HE2 GLN 24 -8.201 -1.872 3.075
173 HE22 GLN 24 2HE2 GLN 24 -9.162 -0.575 3.691
174 H SER 25 H SER 25 -6.722 -1.483 -3.209
175 HA SER 25 HA SER 25 -3.952 -1.052 -3.698
176 HB2 SER 25 1HB SER 25 -4.635 -0.306 -5.897
177 HB3 SER 25 2HB SER 25 -5.611 -1.706 -5.452
178 HG SER 25 HG SER 25 -7.053 0.168 -4.595
179 H SER 26 H SER 26 -6.469 0.891 -2.414
180 HA SER 26 HA SER 26 -5.470 3.448 -3.125
181 HB2 SER 26 1HB SER 26 -7.382 2.454 -1.030
182 HB3 SER 26 2HB SER 26 -6.871 4.142 -1.046
183 HG SER 26 HG SER 26 -7.765 3.000 -3.437
184 H SER 27 H SER 27 -4.977 1.340 -0.334
185 HA SER 27 HA SER 27 -3.492 3.158 1.224
186 HB2 SER 27 1HB SER 27 -4.546 0.931 1.944
187 HB3 SER 27 2HB SER 27 -3.100 0.169 1.282
188 HG SER 27 HG SER 27 -3.240 2.076 3.376
189 H LEU 28 H LEU 28 -2.552 0.826 -1.247
190 HA LEU 28 HA LEU 28 0.227 0.965 -0.891
191 HB2 LEU 28 1HB LEU 28 -0.590 -0.792 -2.211
192 HB3 LEU 28 2HB LEU 28 -1.517 0.299 -3.239
193 HG LEU 28 HG LEU 28 0.546 1.105 -4.262
194 HD11 LEU 28 1HD1 LEU 28 2.193 0.976 -2.630
195 HD12 LEU 28 2HD1 LEU 28 2.631 -0.316 -3.747
196 HD13 LEU 28 3HD1 LEU 28 1.810 -0.699 -2.234
197 HD21 LEU 28 3HD2 LEU 28 -0.681 -1.282 -4.717
198 HD22 LEU 28 1HD2 LEU 28 0.996 -1.781 -4.498
199 HD23 LEU 28 2HD2 LEU 28 0.585 -0.588 -5.731
200 H THR 29 H THR 29 -1.888 2.750 -3.131
201 HA THR 29 HA THR 29 0.020 4.295 -4.402
202 HB THR 29 HB THR 29 -2.788 5.118 -3.638
203 HG1 THR 29 HG1 THR 29 -1.722 3.896 -5.984
204 HG21 THR 29 3HG2 THR 29 -0.679 6.591 -4.888
205 HG22 THR 29 1HG2 THR 29 -2.332 7.101 -4.545
206 HG23 THR 29 2HG2 THR 29 -1.956 6.294 -6.068
207 H VAL 30 H VAL 30 -1.950 5.316 -1.603
208 HA VAL 30 HA VAL 30 -0.593 7.705 -1.108
209 HB VAL 30 HB VAL 30 -2.806 6.935 -0.110
210 HG11 VAL 30 1HG1 VAL 30 -2.199 4.819 0.799
211 HG12 VAL 30 2HG1 VAL 30 -0.898 5.534 1.753
212 HG13 VAL 30 3HG1 VAL 30 -2.581 5.880 2.154
213 HG21 VAL 30 3HG2 VAL 30 -0.647 8.415 1.303
214 HG22 VAL 30 1HG2 VAL 30 -2.190 8.993 0.673
215 HG23 VAL 30 2HG2 VAL 30 -2.140 8.075 2.178
216 H HIS 31 H HIS 31 0.415 4.494 -0.626
217 HA HIS 31 HA HIS 31 2.338 5.171 1.455
218 HB2 HIS 31 1HB HIS 31 1.590 3.056 1.926
219 HB3 HIS 31 2HB HIS 31 1.328 2.655 0.231
220 HD1 HIS 31 HD1 HIS 31 4.325 3.276 2.503
221 HD2 HIS 31 HD2 HIS 31 3.149 0.892 -0.690
222 HE1 HIS 31 HE1 HIS 31 6.259 1.728 2.072
223 H GLN 32 H GLN 32 2.196 4.574 -1.977
224 HA GLN 32 HA GLN 32 4.897 4.078 -2.497
225 HB2 GLN 32 1HB GLN 32 2.737 4.088 -4.040
226 HB3 GLN 32 2HB GLN 32 3.314 5.703 -4.430
227 HG2 GLN 32 1HG GLN 32 4.411 4.575 -6.042
228 HG3 GLN 32 2HG GLN 32 5.595 4.372 -4.753
229 HE21 GLN 32 1HE2 GLN 32 4.245 2.463 -3.226
230 HE22 GLN 32 2HE2 GLN 32 4.200 0.982 -4.114
231 H ARG 33 H ARG 33 3.245 6.999 -1.667
232 HA ARG 33 HA ARG 33 5.042 8.889 -2.715
233 HB2 ARG 33 1HB ARG 33 4.013 10.472 -1.248
234 HB3 ARG 33 2HB ARG 33 2.757 9.370 -1.797
235 HG2 ARG 33 1HG ARG 33 3.121 8.100 0.364
236 HG3 ARG 33 2HG ARG 33 4.084 9.482 0.892
237 HD2 ARG 33 1HD ARG 33 1.261 9.745 -0.112
238 HD3 ARG 33 2HD ARG 33 1.647 9.471 1.586
239 HE ARG 33 HE ARG 33 2.043 11.910 0.075
240 HH11 ARG 33 1HH1 ARG 33 2.783 10.104 2.958
241 HH12 ARG 33 2HH1 ARG 33 3.242 11.502 3.872
242 HH21 ARG 33 1HH2 ARG 33 2.645 13.758 1.268
243 HH22 ARG 33 2HH2 ARG 33 3.162 13.580 2.911
244 H ILE 34 H ILE 34 5.189 6.845 0.088
245 HA ILE 34 HA ILE 34 7.092 8.248 1.603
246 HB ILE 34 HB ILE 34 6.333 5.351 1.447
247 HG12 ILE 34 1HG1 ILE 34 5.855 5.944 3.938
248 HG13 ILE 34 2HG1 ILE 34 5.989 7.613 3.395
249 HG21 ILE 34 1HG2 ILE 34 8.622 6.553 2.978
250 HG22 ILE 34 2HG2 ILE 34 7.839 5.053 3.472
251 HG23 ILE 34 3HG2 ILE 34 8.634 5.157 1.901
252 HD11 ILE 34 3HD1 ILE 34 3.691 7.010 3.393
253 HD12 ILE 34 1HD1 ILE 34 4.218 7.126 1.714
254 HD13 ILE 34 2HD1 ILE 34 4.017 5.544 2.469
255 H HIS 35 H HIS 35 7.459 5.853 -0.974
256 HA HIS 35 HA HIS 35 10.311 5.759 -0.789
257 HB2 HIS 35 1HB HIS 35 8.575 4.926 -3.119
258 HB3 HIS 35 2HB HIS 35 10.222 4.400 -2.784
259 HD1 HIS 35 HD1 HIS 35 10.189 3.391 -0.024
260 HD2 HIS 35 HD2 HIS 35 6.939 2.863 -2.557
261 HE1 HIS 35 HE1 HIS 35 8.916 1.437 0.915
262 H THR 36 H THR 36 8.037 7.830 -2.327
263 HA THR 36 HA THR 36 9.972 8.888 -4.222
264 HB THR 36 HB THR 36 8.219 10.214 -5.118
265 HG1 THR 36 HG1 THR 36 6.566 10.890 -3.951
266 HG21 THR 36 3HG2 THR 36 7.880 8.028 -5.872
267 HG22 THR 36 1HG2 THR 36 6.293 8.504 -5.269
268 HG23 THR 36 2HG2 THR 36 7.333 7.467 -4.292
269 H GLY 37 H GLY 37 8.677 9.620 -1.089
270 HA2 GLY 37 1HA GLY 37 9.726 12.347 -1.148
271 HA3 GLY 37 2HA GLY 37 8.773 11.629 0.141
272 H GLU 38 H GLU 38 10.231 9.324 0.643
273 HA GLU 38 HA GLU 38 11.978 9.928 2.563
274 HB2 GLU 38 1HB GLU 38 13.028 7.792 2.291
275 HB3 GLU 38 2HB GLU 38 11.335 7.620 1.850
276 HG2 GLU 38 1HG GLU 38 11.951 7.763 -0.520
277 HG3 GLU 38 2HG GLU 38 13.647 7.888 -0.058
278 H LYS 39 H LYS 39 13.877 10.914 2.805
279 HA LYS 39 HA LYS 39 15.679 11.138 0.501
280 HB2 LYS 39 1HB LYS 39 16.082 13.505 0.987
281 HB3 LYS 39 2HB LYS 39 14.393 13.218 0.586
282 HG2 LYS 39 1HG LYS 39 14.120 14.569 2.387
283 HG3 LYS 39 2HG LYS 39 14.180 13.011 3.214
284 HD2 LYS 39 1HD LYS 39 15.631 14.404 4.431
285 HD3 LYS 39 2HD LYS 39 16.690 13.409 3.429
286 HE2 LYS 39 1HE LYS 39 17.566 15.548 3.177
287 HE3 LYS 39 2HE LYS 39 16.559 15.351 1.744
288 HZ1 LYS 39 3HZ LYS 39 15.676 17.289 2.364
289 HZ2 LYS 39 1HZ LYS 39 16.286 17.191 3.939
290 HZ3 LYS 39 2HZ LYS 39 14.842 16.405 3.541
291 HA PRO 40 HA PRO 40 18.753 9.997 3.438
292 HB2 PRO 40 1HB PRO 40 20.953 10.902 2.130
293 HB3 PRO 40 2HB PRO 40 20.065 9.458 1.630
294 HG2 PRO 40 1HG PRO 40 19.927 12.240 0.534
295 HG3 PRO 40 2HG PRO 40 19.965 10.695 -0.336
296 HD2 PRO 40 1HD PRO 40 17.675 12.079 0.076
297 HD3 PRO 40 2HD PRO 40 17.719 10.305 0.002
298 H SER 41 H SER 41 18.297 11.332 5.202
299 HA SER 41 HA SER 41 19.942 13.765 5.345
300 HB2 SER 41 1HB SER 41 18.134 14.814 6.726
301 HB3 SER 41 2HB SER 41 17.673 14.538 5.047
302 HG SER 41 HG SER 41 16.606 13.513 7.329
303 H GLY 42 H GLY 42 21.459 12.304 6.391
304 HA2 GLY 42 1HA GLY 42 21.947 12.539 8.957
305 HA3 GLY 42 2HA GLY 42 20.661 11.345 9.041
306 HA PRO 43 HA PRO 43 24.293 9.165 6.715
307 HB2 PRO 43 1HB PRO 43 26.638 10.524 6.554
308 HB3 PRO 43 2HB PRO 43 25.376 10.636 5.321
309 HG2 PRO 43 1HG PRO 43 26.001 12.511 7.570
310 HG3 PRO 43 2HG PRO 43 25.595 12.882 5.884
311 HD2 PRO 43 1HD PRO 43 23.785 13.059 7.891
312 HD3 PRO 43 2HD PRO 43 23.334 12.603 6.235
313 H SER 44 H SER 44 26.467 8.245 7.434
314 HA SER 44 HA SER 44 26.396 7.471 10.065
315 HB2 SER 44 1HB SER 44 28.679 7.614 8.104
316 HB3 SER 44 2HB SER 44 28.906 6.979 9.734
317 HG SER 44 HG SER 44 27.468 5.355 9.296
318 H SER 45 H SER 45 28.554 9.959 8.695
319 HA SER 45 HA SER 45 29.099 10.927 11.404
320 HB2 SER 45 1HB SER 45 30.475 11.203 8.762
321 HB3 SER 45 2HB SER 45 30.735 12.442 9.989
322 HG SER 45 HG SER 45 32.242 10.637 10.029
323 H GLY 46 H GLY 46 28.993 13.204 11.882
324 HA2 GLY 46 1HA GLY 46 27.285 14.782 10.086
325 HA3 GLY 46 2HA GLY 46 26.768 14.538 11.748
Start of MODEL 10
1 H1 GLY 1 H GLY 1 14.131 -18.527 6.053
2 HA2 GLY 1 1HA GLY 1 14.623 -15.798 5.383
3 HA3 GLY 1 2HA GLY 1 15.291 -16.879 4.169
4 H SER 2 H SER 2 13.699 -15.630 2.838
5 HA SER 2 HA SER 2 11.296 -17.217 2.553
6 HB2 SER 2 1HB SER 2 10.503 -15.543 4.124
7 HB3 SER 2 2HB SER 2 11.149 -14.246 3.119
8 HG SER 2 HG SER 2 8.763 -15.085 2.998
9 H SER 3 H SER 3 11.596 -17.791 0.494
10 HA SER 3 HA SER 3 13.010 -16.693 -1.501
11 HB2 SER 3 1HB SER 3 11.470 -17.728 -3.112
12 HB3 SER 3 2HB SER 3 11.748 -18.794 -1.735
13 HG SER 3 HG SER 3 9.750 -18.059 -0.878
14 H GLY 4 H GLY 4 12.725 -15.197 -3.175
15 HA2 GLY 4 1HA GLY 4 10.398 -13.424 -3.025
16 HA3 GLY 4 2HA GLY 4 11.986 -12.709 -2.790
17 H SER 5 H SER 5 9.655 -13.682 -5.048
18 HA SER 5 HA SER 5 11.218 -12.624 -7.221
19 HB2 SER 5 1HB SER 5 10.416 -15.543 -7.228
20 HB3 SER 5 2HB SER 5 10.998 -14.662 -8.641
21 HG SER 5 HG SER 5 12.423 -15.841 -6.731
22 H SER 6 H SER 6 9.926 -11.650 -8.659
23 HA SER 6 HA SER 6 7.216 -11.280 -8.216
24 HB2 SER 6 1HB SER 6 9.000 -10.827 -10.582
25 HB3 SER 6 2HB SER 6 7.259 -10.601 -10.755
26 HG SER 6 HG SER 6 9.064 -9.225 -9.078
27 H GLY 7 H GLY 7 5.500 -12.536 -8.495
28 HA2 GLY 7 1HA GLY 7 5.465 -14.456 -10.707
29 HA3 GLY 7 2HA GLY 7 5.248 -15.083 -9.079
30 H ALA 8 H ALA 8 3.173 -15.852 -9.750
31 HA ALA 8 HA ALA 8 1.131 -13.740 -9.648
32 HB1 ALA 8 3HB ALA 8 1.345 -14.439 -11.975
33 HB2 ALA 8 1HB ALA 8 1.070 -16.117 -11.504
34 HB3 ALA 8 2HB ALA 8 -0.214 -14.923 -11.309
35 H GLY 9 H GLY 9 -1.093 -14.737 -9.198
36 HA2 GLY 9 1HA GLY 9 -1.700 -17.153 -8.182
37 HA3 GLY 9 2HA GLY 9 -0.803 -16.424 -6.859
38 H LYS 10 H LYS 10 -1.679 -14.644 -5.756
39 HA LYS 10 HA LYS 10 -4.499 -14.054 -6.360
40 HB2 LYS 10 1HB LYS 10 -5.077 -14.151 -4.036
41 HB3 LYS 10 2HB LYS 10 -4.260 -15.653 -4.448
42 HG2 LYS 10 1HG LYS 10 -2.395 -15.138 -3.214
43 HG3 LYS 10 2HG LYS 10 -2.670 -13.398 -3.324
44 HD2 LYS 10 1HD LYS 10 -4.634 -15.106 -1.860
45 HD3 LYS 10 2HD LYS 10 -3.112 -14.672 -1.079
46 HE2 LYS 10 1HE LYS 10 -4.716 -12.528 -2.383
47 HE3 LYS 10 2HE LYS 10 -5.263 -13.166 -0.833
48 HZ1 LYS 10 3HZ LYS 10 -3.869 -11.307 -0.413
49 HZ2 LYS 10 1HZ LYS 10 -2.648 -11.896 -1.426
50 HZ3 LYS 10 2HZ LYS 10 -2.996 -12.687 0.028
51 H LYS 11 H LYS 11 -1.424 -12.986 -5.100
52 HA LYS 11 HA LYS 11 -1.870 -10.579 -3.971
53 HB2 LYS 11 1HB LYS 11 0.366 -11.601 -4.499
54 HB3 LYS 11 2HB LYS 11 0.197 -10.982 -6.137
55 HG2 LYS 11 1HG LYS 11 1.566 -9.460 -4.953
56 HG3 LYS 11 2HG LYS 11 -0.009 -8.688 -5.150
57 HD2 LYS 11 1HD LYS 11 0.624 -8.273 -2.917
58 HD3 LYS 11 2HD LYS 11 -0.568 -9.572 -2.836
59 HE2 LYS 11 1HE LYS 11 1.549 -11.108 -2.965
60 HE3 LYS 11 2HE LYS 11 2.383 -9.665 -2.391
61 HZ1 LYS 11 3HZ LYS 11 -0.029 -10.648 -1.009
62 HZ2 LYS 11 1HZ LYS 11 1.223 -9.682 -0.407
63 HZ3 LYS 11 2HZ LYS 11 1.484 -11.330 -0.681
64 H LEU 12 H LEU 12 -2.310 -8.480 -4.591
65 HA LEU 12 HA LEU 12 -3.341 -8.159 -7.332
66 HB2 LEU 12 1HB LEU 12 -4.576 -6.179 -6.000
67 HB3 LEU 12 2HB LEU 12 -5.259 -7.788 -6.226
68 HG LEU 12 HG LEU 12 -5.542 -6.971 -3.932
69 HD11 LEU 12 1HD1 LEU 12 -3.688 -9.044 -3.255
70 HD12 LEU 12 2HD1 LEU 12 -4.529 -9.459 -4.748
71 HD13 LEU 12 3HD1 LEU 12 -5.451 -9.089 -3.291
72 HD21 LEU 12 3HD2 LEU 12 -3.905 -6.073 -2.700
73 HD22 LEU 12 1HD2 LEU 12 -3.031 -5.918 -4.224
74 HD23 LEU 12 2HD2 LEU 12 -2.740 -7.309 -3.179
75 H PHE 13 H PHE 13 -1.312 -6.875 -4.831
76 HA PHE 13 HA PHE 13 -0.353 -4.835 -6.714
77 HB2 PHE 13 1HB PHE 13 -0.574 -4.285 -3.759
78 HB3 PHE 13 2HB PHE 13 -0.285 -3.139 -5.064
79 HD1 PHE 13 HD2 PHE 13 -2.341 -3.685 -6.986
80 HD2 PHE 13 HD1 PHE 13 -2.557 -3.749 -2.736
81 HE1 PHE 13 HE2 PHE 13 -4.752 -3.212 -7.105
82 HE2 PHE 13 HE1 PHE 13 -4.969 -3.278 -2.848
83 HZ PHE 13 HZ PHE 13 -6.070 -3.007 -5.034
84 H LYS 14 H LYS 14 1.828 -4.557 -6.778
85 HA LYS 14 HA LYS 14 3.461 -5.964 -4.784
86 HB2 LYS 14 1HB LYS 14 3.053 -7.147 -7.125
87 HB3 LYS 14 2HB LYS 14 4.324 -6.045 -7.639
88 HG2 LYS 14 1HG LYS 14 4.623 -7.877 -5.278
89 HG3 LYS 14 2HG LYS 14 5.056 -8.350 -6.923
90 HD2 LYS 14 1HD LYS 14 6.689 -6.601 -7.062
91 HD3 LYS 14 2HD LYS 14 6.159 -5.917 -5.523
92 HE2 LYS 14 1HE LYS 14 7.390 -8.647 -5.891
93 HE3 LYS 14 2HE LYS 14 8.243 -7.216 -5.315
94 HZ1 LYS 14 3HZ LYS 14 6.258 -8.874 -3.946
95 HZ2 LYS 14 1HZ LYS 14 6.288 -7.221 -3.585
96 HZ3 LYS 14 2HZ LYS 14 7.671 -8.164 -3.345
97 H CYS 15 H CYS 15 4.373 -4.239 -3.814
98 HA CYS 15 HA CYS 15 5.230 -1.924 -5.286
99 HB2 CYS 15 1HB CYS 15 4.363 -1.852 -2.932
100 HB3 CYS 15 2HB CYS 15 5.846 -2.648 -2.416
101 H ASN 16 H ASN 16 7.021 -1.896 -6.460
102 HA ASN 16 HA ASN 16 9.157 -3.782 -5.979
103 HB2 ASN 16 1HB ASN 16 8.668 -1.668 -8.071
104 HB3 ASN 16 2HB ASN 16 10.200 -2.532 -7.968
105 HD21 ASN 16 1HD2 ASN 16 10.206 -3.864 -9.642
106 HD22 ASN 16 2HD2 ASN 16 8.954 -4.988 -10.037
107 H GLU 17 H GLU 17 8.500 -1.485 -4.102
108 HA GLU 17 HA GLU 17 11.136 -0.175 -4.107
109 HB2 GLU 17 1HB GLU 17 8.709 0.742 -2.571
110 HB3 GLU 17 2HB GLU 17 10.177 1.647 -2.916
111 HG2 GLU 17 1HG GLU 17 9.415 1.219 -5.413
112 HG3 GLU 17 2HG GLU 17 7.834 1.096 -4.643
113 H CYS 18 H CYS 18 8.745 -1.780 -2.052
114 HA CYS 18 HA CYS 18 10.912 -2.431 -0.175
115 HB2 CYS 18 1HB CYS 18 9.344 -2.145 1.709
116 HB3 CYS 18 2HB CYS 18 9.604 -0.639 0.835
117 H LYS 19 H LYS 19 8.917 -3.656 -2.348
118 HA LYS 19 HA LYS 19 7.998 -5.694 -2.770
119 HB2 LYS 19 1HB LYS 19 9.928 -6.431 -0.571
120 HB3 LYS 19 2HB LYS 19 8.993 -7.625 -1.462
121 HG2 LYS 19 1HG LYS 19 10.990 -7.636 -2.597
122 HG3 LYS 19 2HG LYS 19 10.036 -6.502 -3.556
123 HD2 LYS 19 1HD LYS 19 12.117 -5.451 -3.286
124 HD3 LYS 19 2HD LYS 19 11.068 -4.674 -2.098
125 HE2 LYS 19 1HE LYS 19 11.975 -6.102 -0.346
126 HE3 LYS 19 2HE LYS 19 12.990 -6.928 -1.526
127 HZ1 LYS 19 3HZ LYS 19 13.337 -4.331 -0.283
128 HZ2 LYS 19 1HZ LYS 19 13.703 -4.396 -1.933
129 HZ3 LYS 19 2HZ LYS 19 14.496 -5.425 -0.851
130 H LYS 20 H LYS 20 6.347 -4.115 -1.322
131 HA LYS 20 HA LYS 20 5.056 -6.038 0.494
132 HB2 LYS 20 1HB LYS 20 6.166 -4.097 1.687
133 HB3 LYS 20 2HB LYS 20 5.003 -3.046 0.889
134 HG2 LYS 20 1HG LYS 20 3.186 -4.020 2.036
135 HG3 LYS 20 2HG LYS 20 4.174 -5.368 2.605
136 HD2 LYS 20 1HD LYS 20 4.171 -4.089 4.494
137 HD3 LYS 20 2HD LYS 20 5.579 -3.396 3.685
138 HE2 LYS 20 1HE LYS 20 2.790 -2.293 3.410
139 HE3 LYS 20 2HE LYS 20 3.940 -1.733 4.624
140 HZ1 LYS 20 3HZ LYS 20 3.796 -1.109 1.837
141 HZ2 LYS 20 1HZ LYS 20 5.338 -1.641 2.285
142 HZ3 LYS 20 2HZ LYS 20 4.637 -0.321 3.075
143 H THR 21 H THR 21 2.693 -5.466 0.837
144 HA THR 21 HA THR 21 1.467 -4.125 -1.447
145 HB THR 21 HB THR 21 1.704 -6.531 -2.076
146 HG1 THR 21 HG1 THR 21 -0.775 -6.712 -2.331
147 HG21 THR 21 3HG2 THR 21 1.468 -7.541 0.124
148 HG22 THR 21 1HG2 THR 21 0.227 -8.164 -0.962
149 HG23 THR 21 2HG2 THR 21 -0.187 -6.945 0.243
150 H PHE 22 H PHE 22 -1.025 -4.200 -1.165
151 HA PHE 22 HA PHE 22 -1.777 -4.117 1.665
152 HB2 PHE 22 1HB PHE 22 -2.268 -1.875 -0.305
153 HB3 PHE 22 2HB PHE 22 -2.940 -1.957 1.320
154 HD1 PHE 22 HD1 PHE 22 0.394 -2.229 -0.339
155 HD2 PHE 22 HD2 PHE 22 -1.878 -0.729 2.932
156 HE1 PHE 22 HE1 PHE 22 2.403 -1.113 0.541
157 HE2 PHE 22 HE2 PHE 22 0.126 0.389 3.817
158 HZ PHE 22 HZ PHE 22 2.271 0.199 2.621
159 H THR 23 H THR 23 -4.152 -3.982 1.965
160 HA THR 23 HA THR 23 -5.464 -5.743 0.065
161 HB THR 23 HB THR 23 -5.663 -6.167 2.497
162 HG1 THR 23 HG1 THR 23 -8.160 -6.073 2.361
163 HG21 THR 23 3HG2 THR 23 -6.883 -4.749 3.944
164 HG22 THR 23 1HG2 THR 23 -7.465 -3.757 2.607
165 HG23 THR 23 2HG2 THR 23 -5.767 -3.693 3.078
166 H GLN 24 H GLN 24 -4.974 -2.590 -0.007
167 HA GLN 24 HA GLN 24 -7.459 -2.080 -1.434
168 HB2 GLN 24 1HB GLN 24 -6.629 -0.705 1.071
169 HB3 GLN 24 2HB GLN 24 -7.344 0.280 -0.198
170 HG2 GLN 24 1HG GLN 24 -9.369 -0.919 -0.130
171 HG3 GLN 24 2HG GLN 24 -8.657 -2.211 0.835
172 HE21 GLN 24 1HE2 GLN 24 -7.568 -1.211 2.919
173 HE22 GLN 24 2HE2 GLN 24 -8.622 -0.193 3.834
174 H SER 25 H SER 25 -6.987 -1.190 -3.324
175 HA SER 25 HA SER 25 -4.491 -0.578 -4.255
176 HB2 SER 25 1HB SER 25 -7.220 0.364 -5.084
177 HB3 SER 25 2HB SER 25 -5.784 0.976 -5.904
178 HG SER 25 HG SER 25 -5.436 -0.943 -6.767
179 H SER 26 H SER 26 -6.826 1.669 -2.812
180 HA SER 26 HA SER 26 -5.338 4.017 -3.142
181 HB2 SER 26 1HB SER 26 -7.782 3.757 -2.399
182 HB3 SER 26 2HB SER 26 -7.138 3.506 -0.777
183 HG SER 26 HG SER 26 -5.971 5.579 -1.229
184 H SER 27 H SER 27 -5.279 1.566 -0.615
185 HA SER 27 HA SER 27 -3.698 2.908 1.258
186 HB2 SER 27 1HB SER 27 -3.847 -0.055 0.653
187 HB3 SER 27 2HB SER 27 -3.113 0.642 2.096
188 HG SER 27 HG SER 27 -5.181 0.129 2.648
189 H LEU 28 H LEU 28 -2.776 0.870 -1.489
190 HA LEU 28 HA LEU 28 0.001 0.897 -1.010
191 HB2 LEU 28 1HB LEU 28 -0.861 -0.743 -2.476
192 HB3 LEU 28 2HB LEU 28 -1.641 0.469 -3.490
193 HG LEU 28 HG LEU 28 0.540 1.207 -4.300
194 HD11 LEU 28 1HD1 LEU 28 2.217 0.888 -2.839
195 HD12 LEU 28 2HD1 LEU 28 2.374 -0.667 -3.655
196 HD13 LEU 28 3HD1 LEU 28 1.478 -0.553 -2.140
197 HD21 LEU 28 3HD2 LEU 28 0.396 -0.324 -5.903
198 HD22 LEU 28 1HD2 LEU 28 -0.747 -1.202 -4.886
199 HD23 LEU 28 2HD2 LEU 28 0.972 -1.592 -4.819
200 H THR 29 H THR 29 -2.025 2.903 -3.135
201 HA THR 29 HA THR 29 -0.080 4.480 -4.288
202 HB THR 29 HB THR 29 -2.840 5.352 -3.408
203 HG1 THR 29 HG1 THR 29 -2.121 4.666 -6.045
204 HG21 THR 29 3HG2 THR 29 -1.771 6.622 -5.780
205 HG22 THR 29 1HG2 THR 29 -0.756 6.928 -4.372
206 HG23 THR 29 2HG2 THR 29 -2.468 7.350 -4.334
207 H VAL 30 H VAL 30 -1.960 5.330 -1.373
208 HA VAL 30 HA VAL 30 -0.481 7.612 -0.710
209 HB VAL 30 HB VAL 30 -2.689 7.094 0.258
210 HG11 VAL 30 1HG1 VAL 30 -2.580 5.551 2.333
211 HG12 VAL 30 2HG1 VAL 30 -2.707 4.822 0.730
212 HG13 VAL 30 3HG1 VAL 30 -1.148 4.879 1.554
213 HG21 VAL 30 3HG2 VAL 30 -2.207 8.502 1.914
214 HG22 VAL 30 1HG2 VAL 30 -1.246 7.282 2.751
215 HG23 VAL 30 2HG2 VAL 30 -0.504 8.288 1.508
216 H HIS 31 H HIS 31 0.352 4.323 -0.493
217 HA HIS 31 HA HIS 31 2.311 4.724 1.624
218 HB2 HIS 31 1HB HIS 31 1.467 2.621 1.936
219 HB3 HIS 31 2HB HIS 31 1.147 2.378 0.221
220 HD1 HIS 31 HD1 HIS 31 4.158 2.531 2.543
221 HD2 HIS 31 HD2 HIS 31 2.904 0.699 -0.969
222 HE1 HIS 31 HE1 HIS 31 6.004 0.941 1.918
223 H GLN 32 H GLN 32 2.124 4.499 -1.836
224 HA GLN 32 HA GLN 32 4.857 3.937 -2.339
225 HB2 GLN 32 1HB GLN 32 2.714 3.891 -3.901
226 HB3 GLN 32 2HB GLN 32 3.246 5.523 -4.283
227 HG2 GLN 32 1HG GLN 32 4.258 4.250 -5.919
228 HG3 GLN 32 2HG GLN 32 5.538 4.439 -4.722
229 HE21 GLN 32 1HE2 GLN 32 2.746 2.272 -5.061
230 HE22 GLN 32 2HE2 GLN 32 3.644 0.808 -4.874
231 H ARG 33 H ARG 33 3.043 6.891 -1.816
232 HA ARG 33 HA ARG 33 4.788 8.803 -2.761
233 HB2 ARG 33 1HB ARG 33 3.693 10.353 -1.373
234 HB3 ARG 33 2HB ARG 33 2.487 9.115 -1.693
235 HG2 ARG 33 1HG ARG 33 2.928 8.109 0.484
236 HG3 ARG 33 2HG ARG 33 4.155 9.336 0.804
237 HD2 ARG 33 1HD ARG 33 1.228 9.871 0.309
238 HD3 ARG 33 2HD ARG 33 2.009 9.851 1.890
239 HE ARG 33 HE ARG 33 2.956 11.909 1.430
240 HH11 ARG 33 1HH1 ARG 33 1.391 10.632 -1.405
241 HH12 ARG 33 2HH1 ARG 33 1.478 12.123 -2.284
242 HH21 ARG 33 1HH2 ARG 33 3.077 13.877 0.283
243 HH22 ARG 33 2HH2 ARG 33 2.438 13.967 -1.323
244 H ILE 34 H ILE 34 4.997 6.884 0.162
245 HA ILE 34 HA ILE 34 6.898 8.299 1.597
246 HB ILE 34 HB ILE 34 6.320 5.363 1.388
247 HG12 ILE 34 1HG1 ILE 34 5.806 5.840 3.876
248 HG13 ILE 34 2HG1 ILE 34 5.888 7.539 3.422
249 HG21 ILE 34 1HG2 ILE 34 8.459 6.643 3.084
250 HG22 ILE 34 2HG2 ILE 34 7.889 4.984 3.253
251 HG23 ILE 34 3HG2 ILE 34 8.704 5.489 1.773
252 HD11 ILE 34 3HD1 ILE 34 4.053 5.528 2.145
253 HD12 ILE 34 1HD1 ILE 34 3.596 6.614 3.456
254 HD13 ILE 34 2HD1 ILE 34 4.068 7.273 1.890
255 H HIS 35 H HIS 35 7.445 5.754 -0.834
256 HA HIS 35 HA HIS 35 10.275 5.972 -0.769
257 HB2 HIS 35 1HB HIS 35 8.708 4.944 -3.124
258 HB3 HIS 35 2HB HIS 35 10.295 4.434 -2.555
259 HD1 HIS 35 HD1 HIS 35 10.162 3.268 -0.029
260 HD2 HIS 35 HD2 HIS 35 6.736 3.257 -2.379
261 HE1 HIS 35 HE1 HIS 35 8.695 1.464 0.929
262 H THR 36 H THR 36 7.765 7.647 -2.494
263 HA THR 36 HA THR 36 9.814 9.125 -4.013
264 HB THR 36 HB THR 36 8.279 7.949 -5.498
265 HG1 THR 36 HG1 THR 36 7.267 10.094 -6.360
266 HG21 THR 36 3HG2 THR 36 6.378 8.016 -3.774
267 HG22 THR 36 1HG2 THR 36 5.947 8.200 -5.473
268 HG23 THR 36 2HG2 THR 36 6.021 9.615 -4.424
269 H GLY 37 H GLY 37 9.531 9.951 -1.475
270 HA2 GLY 37 1HA GLY 37 8.791 12.655 -1.741
271 HA3 GLY 37 2HA GLY 37 7.499 11.796 -0.917
272 H GLU 38 H GLU 38 8.578 10.162 0.805
273 HA GLU 38 HA GLU 38 9.537 11.803 2.868
274 HB2 GLU 38 1HB GLU 38 9.594 8.797 2.570
275 HB3 GLU 38 2HB GLU 38 10.004 9.645 4.054
276 HG2 GLU 38 1HG GLU 38 7.346 9.919 2.680
277 HG3 GLU 38 2HG GLU 38 7.677 8.721 3.930
278 H LYS 39 H LYS 39 11.602 11.017 4.144
279 HA LYS 39 HA LYS 39 13.869 11.320 4.223
280 HB2 LYS 39 1HB LYS 39 13.355 9.063 2.353
281 HB3 LYS 39 2HB LYS 39 15.001 9.677 2.446
282 HG2 LYS 39 1HG LYS 39 15.098 9.219 4.800
283 HG3 LYS 39 2HG LYS 39 13.393 8.765 4.822
284 HD2 LYS 39 1HD LYS 39 14.374 6.695 4.712
285 HD3 LYS 39 2HD LYS 39 14.164 7.039 2.994
286 HE2 LYS 39 1HE LYS 39 16.685 7.914 4.307
287 HE3 LYS 39 2HE LYS 39 16.471 6.194 3.982
288 HZ1 LYS 39 3HZ LYS 39 16.552 6.510 1.750
289 HZ2 LYS 39 1HZ LYS 39 17.517 7.819 2.216
290 HZ3 LYS 39 2HZ LYS 39 15.893 8.067 1.814
291 HA PRO 40 HA PRO 40 13.818 13.954 0.291
292 HB2 PRO 40 1HB PRO 40 13.510 16.361 1.509
293 HB3 PRO 40 2HB PRO 40 12.145 15.372 0.977
294 HG2 PRO 40 1HG PRO 40 13.325 15.654 3.713
295 HG3 PRO 40 2HG PRO 40 11.620 15.608 3.230
296 HD2 PRO 40 1HD PRO 40 12.903 13.455 4.255
297 HD3 PRO 40 2HD PRO 40 11.602 13.309 3.057
298 H SER 41 H SER 41 15.627 13.394 3.008
299 HA SER 41 HA SER 41 17.920 14.787 1.871
300 HB2 SER 41 1HB SER 41 16.771 16.250 3.654
301 HB3 SER 41 2HB SER 41 17.370 15.071 4.821
302 HG SER 41 HG SER 41 19.212 16.049 4.705
303 H GLY 42 H GLY 42 19.955 13.971 2.602
304 HA2 GLY 42 1HA GLY 42 20.996 12.378 4.264
305 HA3 GLY 42 2HA GLY 42 19.724 11.269 3.773
306 HA PRO 43 HA PRO 43 22.705 9.671 0.928
307 HB2 PRO 43 1HB PRO 43 21.022 8.047 -0.450
308 HB3 PRO 43 2HB PRO 43 21.618 7.661 1.169
309 HG2 PRO 43 1HG PRO 43 18.990 8.835 0.347
310 HG3 PRO 43 2HG PRO 43 19.325 7.575 1.549
311 HD2 PRO 43 1HD PRO 43 18.849 10.152 2.233
312 HD3 PRO 43 2HD PRO 43 19.938 9.102 3.163
313 H SER 44 H SER 44 20.262 11.823 0.239
314 HA SER 44 HA SER 44 21.279 12.208 -2.479
315 HB2 SER 44 1HB SER 44 19.065 10.880 -2.430
316 HB3 SER 44 2HB SER 44 18.322 12.404 -1.945
317 HG SER 44 HG SER 44 19.934 12.106 -4.258
318 H SER 45 H SER 45 20.754 14.349 -3.357
319 HA SER 45 HA SER 45 20.951 16.356 -1.269
320 HB2 SER 45 1HB SER 45 21.480 17.904 -3.103
321 HB3 SER 45 2HB SER 45 22.483 16.456 -3.194
322 HG SER 45 HG SER 45 21.058 15.667 -4.798
323 H GLY 46 H GLY 46 19.719 18.428 -1.543
324 HA2 GLY 46 1HA GLY 46 17.327 18.590 -3.003
325 HA3 GLY 46 2HA GLY 46 16.954 17.934 -1.416
Start of MODEL 11
1 H1 GLY 1 H GLY 1 3.095 -27.149 -6.710
2 HA2 GLY 1 1HA GLY 1 4.126 -29.729 -5.790
3 HA3 GLY 1 2HA GLY 1 2.988 -29.744 -7.128
4 H SER 2 H SER 2 3.819 -29.668 -9.104
5 HA SER 2 HA SER 2 6.660 -29.125 -9.410
6 HB2 SER 2 1HB SER 2 5.655 -31.127 -10.472
7 HB3 SER 2 2HB SER 2 4.643 -30.074 -11.461
8 HG SER 2 HG SER 2 7.346 -30.651 -11.665
9 H SER 3 H SER 3 3.574 -27.949 -10.708
10 HA SER 3 HA SER 3 4.513 -26.056 -12.491
11 HB2 SER 3 1HB SER 3 2.093 -26.778 -12.032
12 HB3 SER 3 2HB SER 3 2.101 -25.571 -10.747
13 HG SER 3 HG SER 3 2.396 -23.979 -12.243
14 H GLY 4 H GLY 4 6.203 -24.785 -11.924
15 HA2 GLY 4 1HA GLY 4 5.914 -23.155 -9.481
16 HA3 GLY 4 2HA GLY 4 7.451 -23.585 -10.215
17 H SER 5 H SER 5 4.467 -21.760 -10.814
18 HA SER 5 HA SER 5 6.062 -19.641 -12.024
19 HB2 SER 5 1HB SER 5 5.205 -21.264 -13.828
20 HB3 SER 5 2HB SER 5 3.603 -20.623 -13.466
21 HG SER 5 HG SER 5 4.522 -19.445 -15.147
22 H SER 6 H SER 6 4.483 -17.759 -12.642
23 HA SER 6 HA SER 6 2.539 -17.481 -10.443
24 HB2 SER 6 1HB SER 6 3.072 -15.084 -10.398
25 HB3 SER 6 2HB SER 6 4.520 -16.052 -10.123
26 HG SER 6 HG SER 6 3.736 -14.822 -12.559
27 H GLY 7 H GLY 7 0.981 -15.558 -10.950
28 HA2 GLY 7 1HA GLY 7 0.150 -14.477 -13.184
29 HA3 GLY 7 2HA GLY 7 -0.185 -16.158 -13.572
30 H ALA 8 H ALA 8 -1.296 -17.242 -11.453
31 HA ALA 8 HA ALA 8 -3.724 -15.643 -11.064
32 HB1 ALA 8 3HB ALA 8 -3.497 -18.542 -10.360
33 HB2 ALA 8 1HB ALA 8 -4.920 -17.614 -10.833
34 HB3 ALA 8 2HB ALA 8 -3.703 -18.040 -12.037
35 H GLY 9 H GLY 9 -2.736 -14.325 -9.405
36 HA2 GLY 9 1HA GLY 9 -2.678 -15.719 -6.803
37 HA3 GLY 9 2HA GLY 9 -1.479 -14.501 -7.213
38 H LYS 10 H LYS 10 -3.730 -14.771 -5.144
39 HA LYS 10 HA LYS 10 -5.805 -13.049 -5.485
40 HB2 LYS 10 1HB LYS 10 -5.692 -12.579 -3.071
41 HB3 LYS 10 2HB LYS 10 -5.454 -14.287 -3.416
42 HG2 LYS 10 1HG LYS 10 -2.922 -13.646 -3.355
43 HG3 LYS 10 2HG LYS 10 -3.506 -12.262 -2.428
44 HD2 LYS 10 1HD LYS 10 -3.061 -13.816 -0.770
45 HD3 LYS 10 2HD LYS 10 -4.788 -14.051 -1.050
46 HE2 LYS 10 1HE LYS 10 -4.111 -15.874 -2.690
47 HE3 LYS 10 2HE LYS 10 -2.493 -15.747 -2.001
48 HZ1 LYS 10 3HZ LYS 10 -4.725 -16.073 -0.144
49 HZ2 LYS 10 1HZ LYS 10 -3.146 -16.675 -0.055
50 HZ3 LYS 10 2HZ LYS 10 -4.280 -17.422 -1.063
51 H LYS 11 H LYS 11 -2.451 -12.179 -4.790
52 HA LYS 11 HA LYS 11 -2.755 -9.456 -4.347
53 HB2 LYS 11 1HB LYS 11 -0.641 -11.066 -4.340
54 HB3 LYS 11 2HB LYS 11 -0.417 -10.388 -5.947
55 HG2 LYS 11 1HG LYS 11 0.834 -8.955 -4.670
56 HG3 LYS 11 2HG LYS 11 -0.714 -8.107 -4.720
57 HD2 LYS 11 1HD LYS 11 -0.239 -10.047 -2.513
58 HD3 LYS 11 2HD LYS 11 0.589 -8.489 -2.449
59 HE2 LYS 11 1HE LYS 11 -1.747 -7.494 -2.927
60 HE3 LYS 11 2HE LYS 11 -2.351 -9.071 -2.422
61 HZ1 LYS 11 3HZ LYS 11 -1.144 -6.955 -0.840
62 HZ2 LYS 11 1HZ LYS 11 -0.680 -8.530 -0.431
63 HZ3 LYS 11 2HZ LYS 11 -2.315 -8.098 -0.409
64 H LEU 12 H LEU 12 -2.211 -7.649 -5.789
65 HA LEU 12 HA LEU 12 -2.873 -8.142 -8.606
66 HB2 LEU 12 1HB LEU 12 -3.999 -5.680 -8.073
67 HB3 LEU 12 2HB LEU 12 -4.861 -7.197 -8.319
68 HG LEU 12 HG LEU 12 -5.669 -6.023 -6.342
69 HD11 LEU 12 1HD1 LEU 12 -4.326 -8.181 -4.947
70 HD12 LEU 12 2HD1 LEU 12 -4.956 -8.686 -6.515
71 HD13 LEU 12 3HD1 LEU 12 -6.036 -7.966 -5.321
72 HD21 LEU 12 3HD2 LEU 12 -4.360 -5.114 -4.769
73 HD22 LEU 12 1HD2 LEU 12 -3.073 -5.267 -5.966
74 HD23 LEU 12 2HD2 LEU 12 -3.277 -6.507 -4.728
75 H PHE 13 H PHE 13 -1.406 -6.088 -6.172
76 HA PHE 13 HA PHE 13 0.348 -4.984 -8.253
77 HB2 PHE 13 1HB PHE 13 0.297 -2.832 -6.771
78 HB3 PHE 13 2HB PHE 13 -0.998 -3.120 -7.929
79 HD1 PHE 13 HD1 PHE 13 -0.181 -3.972 -4.386
80 HD2 PHE 13 HD2 PHE 13 -3.132 -2.741 -7.196
81 HE1 PHE 13 HE1 PHE 13 -1.834 -3.799 -2.571
82 HE2 PHE 13 HE2 PHE 13 -4.788 -2.565 -5.386
83 HZ PHE 13 HZ PHE 13 -4.140 -3.094 -3.069
84 H LYS 14 H LYS 14 2.457 -4.516 -7.601
85 HA LYS 14 HA LYS 14 3.193 -5.281 -4.863
86 HB2 LYS 14 1HB LYS 14 3.892 -7.239 -5.797
87 HB3 LYS 14 2HB LYS 14 4.058 -6.538 -7.402
88 HG2 LYS 14 1HG LYS 14 6.216 -7.206 -6.577
89 HG3 LYS 14 2HG LYS 14 6.144 -5.446 -6.685
90 HD2 LYS 14 1HD LYS 14 7.057 -5.645 -4.605
91 HD3 LYS 14 2HD LYS 14 5.349 -5.704 -4.165
92 HE2 LYS 14 1HE LYS 14 7.184 -8.064 -4.570
93 HE3 LYS 14 2HE LYS 14 6.580 -7.460 -3.027
94 HZ1 LYS 14 3HZ LYS 14 5.256 -9.309 -3.643
95 HZ2 LYS 14 1HZ LYS 14 5.008 -8.713 -5.207
96 HZ3 LYS 14 2HZ LYS 14 4.302 -7.932 -3.883
97 H CYS 15 H CYS 15 4.617 -3.945 -3.928
98 HA CYS 15 HA CYS 15 5.629 -1.711 -5.499
99 HB2 CYS 15 1HB CYS 15 4.554 -1.125 -3.426
100 HB3 CYS 15 2HB CYS 15 5.570 -2.245 -2.525
101 H ASN 16 H ASN 16 7.434 -2.243 -6.591
102 HA ASN 16 HA ASN 16 9.435 -3.992 -5.509
103 HB2 ASN 16 1HB ASN 16 9.622 -2.204 -7.942
104 HB3 ASN 16 2HB ASN 16 10.638 -3.594 -7.574
105 HD21 ASN 16 1HD2 ASN 16 9.976 -5.583 -8.141
106 HD22 ASN 16 2HD2 ASN 16 8.474 -5.928 -8.922
107 H GLU 17 H GLU 17 9.115 -2.013 -3.684
108 HA GLU 17 HA GLU 17 11.663 -0.563 -3.894
109 HB2 GLU 17 1HB GLU 17 9.214 0.638 -2.613
110 HB3 GLU 17 2HB GLU 17 10.730 1.435 -3.009
111 HG2 GLU 17 1HG GLU 17 10.046 0.695 -5.458
112 HG3 GLU 17 2HG GLU 17 8.434 0.745 -4.748
113 H CYS 18 H CYS 18 9.094 -1.730 -1.750
114 HA CYS 18 HA CYS 18 11.128 -2.080 0.355
115 HB2 CYS 18 1HB CYS 18 9.264 -1.811 1.996
116 HB3 CYS 18 2HB CYS 18 9.594 -0.358 1.057
117 H LYS 19 H LYS 19 8.849 -3.555 -1.668
118 HA LYS 19 HA LYS 19 8.329 -5.756 -1.985
119 HB2 LYS 19 1HB LYS 19 9.902 -6.452 0.487
120 HB3 LYS 19 2HB LYS 19 9.551 -7.470 -0.904
121 HG2 LYS 19 1HG LYS 19 11.334 -5.044 -0.950
122 HG3 LYS 19 2HG LYS 19 11.890 -6.715 -0.830
123 HD2 LYS 19 1HD LYS 19 10.604 -7.123 -2.993
124 HD3 LYS 19 2HD LYS 19 10.499 -5.366 -3.130
125 HE2 LYS 19 1HE LYS 19 12.817 -5.131 -3.343
126 HE3 LYS 19 2HE LYS 19 13.129 -6.745 -2.706
127 HZ1 LYS 19 3HZ LYS 19 11.599 -7.181 -4.922
128 HZ2 LYS 19 1HZ LYS 19 13.277 -7.373 -4.818
129 HZ3 LYS 19 2HZ LYS 19 12.626 -5.923 -5.396
130 H LYS 20 H LYS 20 6.452 -4.251 -0.857
131 HA LYS 20 HA LYS 20 5.095 -6.134 0.894
132 HB2 LYS 20 1HB LYS 20 6.264 -4.585 2.429
133 HB3 LYS 20 2HB LYS 20 5.442 -3.231 1.666
134 HG2 LYS 20 1HG LYS 20 3.273 -4.419 2.327
135 HG3 LYS 20 2HG LYS 20 4.291 -5.391 3.393
136 HD2 LYS 20 1HD LYS 20 4.334 -2.384 3.429
137 HD3 LYS 20 2HD LYS 20 3.202 -3.323 4.405
138 HE2 LYS 20 1HE LYS 20 5.163 -4.525 5.378
139 HE3 LYS 20 2HE LYS 20 6.214 -3.403 4.515
140 HZ1 LYS 20 3HZ LYS 20 5.441 -2.973 6.984
141 HZ2 LYS 20 1HZ LYS 20 4.122 -2.260 6.201
142 HZ3 LYS 20 2HZ LYS 20 5.689 -1.702 5.895
143 H THR 21 H THR 21 2.816 -5.854 0.950
144 HA THR 21 HA THR 21 1.740 -3.954 -1.022
145 HB THR 21 HB THR 21 0.066 -5.746 -1.656
146 HG1 THR 21 HG1 THR 21 1.837 -7.744 -0.963
147 HG21 THR 21 3HG2 THR 21 2.991 -6.103 -2.300
148 HG22 THR 21 1HG2 THR 21 1.792 -5.189 -3.213
149 HG23 THR 21 2HG2 THR 21 1.696 -6.949 -3.147
150 H PHE 22 H PHE 22 -0.835 -4.161 -0.856
151 HA PHE 22 HA PHE 22 -1.638 -4.329 1.953
152 HB2 PHE 22 1HB PHE 22 -2.334 -1.940 0.241
153 HB3 PHE 22 2HB PHE 22 -2.666 -2.162 1.956
154 HD1 PHE 22 HD1 PHE 22 0.156 -1.924 -0.456
155 HD2 PHE 22 HD2 PHE 22 -1.208 -1.301 3.528
156 HE1 PHE 22 HE1 PHE 22 2.280 -0.811 0.094
157 HE2 PHE 22 HE2 PHE 22 0.914 -0.186 4.083
158 HZ PHE 22 HZ PHE 22 2.661 0.061 2.365
159 H THR 23 H THR 23 -3.911 -4.548 2.274
160 HA THR 23 HA THR 23 -5.196 -5.983 0.124
161 HB THR 23 HB THR 23 -5.352 -6.778 2.464
162 HG1 THR 23 HG1 THR 23 -7.983 -6.104 1.748
163 HG21 THR 23 3HG2 THR 23 -7.358 -4.642 3.040
164 HG22 THR 23 1HG2 THR 23 -5.645 -4.299 3.277
165 HG23 THR 23 2HG2 THR 23 -6.410 -5.622 4.157
166 H GLN 24 H GLN 24 -4.788 -2.899 0.292
167 HA GLN 24 HA GLN 24 -7.445 -2.277 -0.760
168 HB2 GLN 24 1HB GLN 24 -6.121 -0.974 1.573
169 HB3 GLN 24 2HB GLN 24 -7.052 0.036 0.475
170 HG2 GLN 24 1HG GLN 24 -8.029 -2.309 2.080
171 HG3 GLN 24 2HG GLN 24 -8.473 -0.613 2.266
172 HE21 GLN 24 1HE2 GLN 24 -10.108 -3.014 1.754
173 HE22 GLN 24 2HE2 GLN 24 -11.006 -2.663 0.321
174 H SER 25 H SER 25 -7.117 -1.603 -2.766
175 HA SER 25 HA SER 25 -4.783 -0.951 -3.997
176 HB2 SER 25 1HB SER 25 -7.572 0.070 -4.542
177 HB3 SER 25 2HB SER 25 -6.209 0.415 -5.607
178 HG SER 25 HG SER 25 -7.722 -1.723 -5.613
179 H SER 26 H SER 26 -6.801 1.156 -2.051
180 HA SER 26 HA SER 26 -5.438 3.571 -2.724
181 HB2 SER 26 1HB SER 26 -7.801 3.312 -1.736
182 HB3 SER 26 2HB SER 26 -6.992 3.126 -0.180
183 HG SER 26 HG SER 26 -7.625 5.318 -0.731
184 H SER 27 H SER 27 -5.037 1.098 -0.281
185 HA SER 27 HA SER 27 -3.360 2.462 1.494
186 HB2 SER 27 1HB SER 27 -3.590 -0.465 0.790
187 HB3 SER 27 2HB SER 27 -2.504 0.122 2.049
188 HG SER 27 HG SER 27 -4.478 1.169 2.921
189 H LEU 28 H LEU 28 -2.565 0.487 -1.349
190 HA LEU 28 HA LEU 28 0.239 0.771 -1.121
191 HB2 LEU 28 1HB LEU 28 -0.582 -1.017 -2.426
192 HB3 LEU 28 2HB LEU 28 -1.576 0.059 -3.407
193 HG LEU 28 HG LEU 28 0.480 0.992 -4.409
194 HD11 LEU 28 1HD1 LEU 28 1.767 -0.043 -2.247
195 HD12 LEU 28 2HD1 LEU 28 2.553 0.482 -3.735
196 HD13 LEU 28 3HD1 LEU 28 2.165 -1.222 -3.497
197 HD21 LEU 28 3HD2 LEU 28 0.763 -1.927 -4.812
198 HD22 LEU 28 1HD2 LEU 28 0.577 -0.629 -5.992
199 HD23 LEU 28 2HD2 LEU 28 -0.829 -1.226 -5.109
200 H THR 29 H THR 29 -2.177 2.495 -3.072
201 HA THR 29 HA THR 29 -0.527 4.170 -4.511
202 HB THR 29 HB THR 29 -3.228 4.847 -3.329
203 HG1 THR 29 HG1 THR 29 -2.761 2.995 -4.966
204 HG21 THR 29 3HG2 THR 29 -1.508 6.639 -4.410
205 HG22 THR 29 1HG2 THR 29 -3.264 6.774 -4.510
206 HG23 THR 29 2HG2 THR 29 -2.353 6.086 -5.855
207 H VAL 30 H VAL 30 -2.155 5.062 -1.460
208 HA VAL 30 HA VAL 30 -0.733 7.447 -1.069
209 HB VAL 30 HB VAL 30 -2.857 6.782 0.104
210 HG11 VAL 30 1HG1 VAL 30 -2.449 4.598 0.857
211 HG12 VAL 30 2HG1 VAL 30 -0.921 5.052 1.615
212 HG13 VAL 30 3HG1 VAL 30 -2.449 5.583 2.319
213 HG21 VAL 30 3HG2 VAL 30 -0.556 7.763 1.791
214 HG22 VAL 30 1HG2 VAL 30 -1.631 8.745 0.796
215 HG23 VAL 30 2HG2 VAL 30 -2.260 7.916 2.219
216 H HIS 31 H HIS 31 0.132 4.155 -0.489
217 HA HIS 31 HA HIS 31 2.233 4.735 1.392
218 HB2 HIS 31 1HB HIS 31 1.491 2.586 1.731
219 HB3 HIS 31 2HB HIS 31 1.196 2.302 0.018
220 HD1 HIS 31 HD1 HIS 31 3.900 2.177 2.606
221 HD2 HIS 31 HD2 HIS 31 3.353 1.259 -1.409
222 HE1 HIS 31 HE1 HIS 31 5.926 0.846 1.939
223 H GLN 32 H GLN 32 1.941 4.301 -2.069
224 HA GLN 32 HA GLN 32 4.619 3.905 -2.736
225 HB2 GLN 32 1HB GLN 32 2.400 3.953 -4.182
226 HB3 GLN 32 2HB GLN 32 2.910 5.607 -4.493
227 HG2 GLN 32 1HG GLN 32 3.747 4.285 -6.259
228 HG3 GLN 32 2HG GLN 32 5.120 4.688 -5.230
229 HE21 GLN 32 1HE2 GLN 32 2.702 2.162 -5.774
230 HE22 GLN 32 2HE2 GLN 32 3.742 0.838 -5.387
231 H ARG 33 H ARG 33 2.901 6.801 -1.829
232 HA ARG 33 HA ARG 33 4.613 8.763 -2.798
233 HB2 ARG 33 1HB ARG 33 3.111 8.797 -0.174
234 HB3 ARG 33 2HB ARG 33 3.723 10.202 -1.037
235 HG2 ARG 33 1HG ARG 33 2.110 10.056 -2.686
236 HG3 ARG 33 2HG ARG 33 1.793 8.350 -2.366
237 HD2 ARG 33 1HD ARG 33 -0.071 9.481 -1.502
238 HD3 ARG 33 2HD ARG 33 0.923 9.107 -0.095
239 HE ARG 33 HE ARG 33 1.160 11.346 0.266
240 HH11 ARG 33 1HH1 ARG 33 0.178 10.846 -3.036
241 HH12 ARG 33 2HH1 ARG 33 -0.012 12.535 -3.373
242 HH21 ARG 33 1HH2 ARG 33 0.914 13.573 -0.164
243 HH22 ARG 33 2HH2 ARG 33 0.408 14.085 -1.739
244 H ILE 34 H ILE 34 4.849 6.786 0.110
245 HA ILE 34 HA ILE 34 6.853 8.071 1.490
246 HB ILE 34 HB ILE 34 6.217 5.153 1.189
247 HG12 ILE 34 1HG1 ILE 34 5.858 5.621 3.754
248 HG13 ILE 34 2HG1 ILE 34 5.788 7.301 3.232
249 HG21 ILE 34 1HG2 ILE 34 7.817 4.880 3.183
250 HG22 ILE 34 2HG2 ILE 34 8.509 4.987 1.565
251 HG23 ILE 34 3HG2 ILE 34 8.533 6.393 2.629
252 HD11 ILE 34 3HD1 ILE 34 4.043 5.099 2.157
253 HD12 ILE 34 1HD1 ILE 34 3.575 6.237 3.420
254 HD13 ILE 34 2HD1 ILE 34 3.924 6.820 1.793
255 H HIS 35 H HIS 35 7.080 6.197 -1.443
256 HA HIS 35 HA HIS 35 9.995 6.216 -1.366
257 HB2 HIS 35 1HB HIS 35 8.192 5.133 -3.536
258 HB3 HIS 35 2HB HIS 35 9.905 4.794 -3.309
259 HD1 HIS 35 HD1 HIS 35 10.503 3.347 -1.130
260 HD2 HIS 35 HD2 HIS 35 6.495 3.443 -2.219
261 HE1 HIS 35 HE1 HIS 35 9.430 1.426 0.087
262 H THR 36 H THR 36 7.405 8.040 -2.639
263 HA THR 36 HA THR 36 8.748 9.126 -4.914
264 HB THR 36 HB THR 36 6.928 10.694 -5.070
265 HG1 THR 36 HG1 THR 36 6.844 11.134 -2.754
266 HG21 THR 36 3HG2 THR 36 6.210 8.636 -5.892
267 HG22 THR 36 1HG2 THR 36 4.946 9.061 -4.739
268 HG23 THR 36 2HG2 THR 36 6.190 7.893 -4.293
269 H GLY 37 H GLY 37 8.302 10.150 -1.559
270 HA2 GLY 37 1HA GLY 37 10.477 11.356 -0.850
271 HA3 GLY 37 2HA GLY 37 9.980 12.509 -2.079
272 H GLU 38 H GLU 38 7.194 11.351 -0.811
273 HA GLU 38 HA GLU 38 6.151 13.572 0.234
274 HB2 GLU 38 1HB GLU 38 4.939 12.055 1.931
275 HB3 GLU 38 2HB GLU 38 4.725 11.725 0.217
276 HG2 GLU 38 1HG GLU 38 5.132 9.617 0.905
277 HG3 GLU 38 2HG GLU 38 6.802 10.129 0.671
278 H LYS 39 H LYS 39 6.205 14.793 2.069
279 HA LYS 39 HA LYS 39 8.559 14.950 3.546
280 HB2 LYS 39 1HB LYS 39 5.790 15.976 4.187
281 HB3 LYS 39 2HB LYS 39 7.230 16.410 5.101
282 HG2 LYS 39 1HG LYS 39 8.206 17.427 3.125
283 HG3 LYS 39 2HG LYS 39 6.803 16.947 2.168
284 HD2 LYS 39 1HD LYS 39 6.243 19.114 2.670
285 HD3 LYS 39 2HD LYS 39 5.491 18.269 4.025
286 HE2 LYS 39 1HE LYS 39 8.262 19.445 4.126
287 HE3 LYS 39 2HE LYS 39 6.816 20.319 4.630
288 HZ1 LYS 39 3HZ LYS 39 6.522 18.083 6.018
289 HZ2 LYS 39 1HZ LYS 39 7.361 19.426 6.611
290 HZ3 LYS 39 2HZ LYS 39 8.211 18.128 5.938
291 HA PRO 40 HA PRO 40 8.197 11.749 6.551
292 HB2 PRO 40 1HB PRO 40 9.902 12.738 8.418
293 HB3 PRO 40 2HB PRO 40 10.451 12.028 6.895
294 HG2 PRO 40 1HG PRO 40 10.115 14.911 7.629
295 HG3 PRO 40 2HG PRO 40 11.437 14.128 6.742
296 HD2 PRO 40 1HD PRO 40 9.462 15.503 5.500
297 HD3 PRO 40 2HD PRO 40 10.258 14.098 4.761
298 H SER 41 H SER 41 6.945 11.295 8.287
299 HA SER 41 HA SER 41 6.282 13.273 10.266
300 HB2 SER 41 1HB SER 41 4.247 12.402 8.220
301 HB3 SER 41 2HB SER 41 3.768 12.978 9.816
302 HG SER 41 HG SER 41 4.083 14.926 9.128
303 H GLY 42 H GLY 42 5.666 12.349 12.161
304 HA2 GLY 42 1HA GLY 42 4.256 10.087 12.677
305 HA3 GLY 42 2HA GLY 42 5.871 9.478 12.344
306 HA PRO 43 HA PRO 43 5.342 11.524 16.708
307 HB2 PRO 43 1HB PRO 43 3.993 9.647 18.131
308 HB3 PRO 43 2HB PRO 43 3.189 10.987 17.304
309 HG2 PRO 43 1HG PRO 43 3.518 8.143 16.428
310 HG3 PRO 43 2HG PRO 43 2.088 9.187 16.326
311 HD2 PRO 43 1HD PRO 43 3.706 8.721 14.206
312 HD3 PRO 43 2HD PRO 43 2.851 10.260 14.435
313 H SER 44 H SER 44 5.457 7.998 16.174
314 HA SER 44 HA SER 44 6.862 6.387 16.975
315 HB2 SER 44 1HB SER 44 8.290 7.839 15.363
316 HB3 SER 44 2HB SER 44 9.071 8.423 16.832
317 HG SER 44 HG SER 44 9.838 6.383 15.603
318 H SER 45 H SER 45 5.520 7.715 19.012
319 HA SER 45 HA SER 45 6.903 8.847 21.071
320 HB2 SER 45 1HB SER 45 5.164 8.171 22.510
321 HB3 SER 45 2HB SER 45 4.404 8.229 20.921
322 HG SER 45 HG SER 45 5.397 5.910 22.226
323 H GLY 46 H GLY 46 8.461 8.265 22.450
324 HA2 GLY 46 1HA GLY 46 10.202 6.999 23.279
325 HA3 GLY 46 2HA GLY 46 8.907 5.888 23.701
Start of MODEL 12
1 H1 GLY 1 H GLY 1 9.032 -27.148 -13.449
2 HA2 GLY 1 1HA GLY 1 9.619 -29.107 -15.559
3 HA3 GLY 1 2HA GLY 1 8.481 -29.538 -14.292
4 H SER 2 H SER 2 6.417 -28.734 -14.337
5 HA SER 2 HA SER 2 5.257 -28.119 -16.765
6 HB2 SER 2 1HB SER 2 4.397 -27.839 -13.922
7 HB3 SER 2 2HB SER 2 3.427 -27.040 -15.159
8 HG SER 2 HG SER 2 3.184 -29.483 -14.475
9 H SER 3 H SER 3 5.720 -25.796 -14.093
10 HA SER 3 HA SER 3 6.157 -23.698 -16.109
11 HB2 SER 3 1HB SER 3 4.180 -23.767 -13.880
12 HB3 SER 3 2HB SER 3 4.972 -22.229 -14.221
13 HG SER 3 HG SER 3 4.203 -22.344 -16.331
14 H GLY 4 H GLY 4 7.702 -22.185 -15.630
15 HA2 GLY 4 1HA GLY 4 9.543 -22.887 -13.509
16 HA3 GLY 4 2HA GLY 4 9.780 -21.649 -14.733
17 H SER 5 H SER 5 8.262 -19.709 -14.478
18 HA SER 5 HA SER 5 7.973 -19.068 -11.616
19 HB2 SER 5 1HB SER 5 8.608 -16.719 -12.210
20 HB3 SER 5 2HB SER 5 9.912 -17.883 -12.437
21 HG SER 5 HG SER 5 9.592 -16.373 -14.205
22 H SER 6 H SER 6 6.085 -18.189 -11.000
23 HA SER 6 HA SER 6 4.007 -17.911 -13.017
24 HB2 SER 6 1HB SER 6 3.993 -18.032 -10.006
25 HB3 SER 6 2HB SER 6 2.555 -17.565 -10.915
26 HG SER 6 HG SER 6 3.847 -19.865 -11.766
27 H GLY 7 H GLY 7 4.992 -15.986 -10.172
28 HA2 GLY 7 1HA GLY 7 5.641 -13.656 -10.466
29 HA3 GLY 7 2HA GLY 7 4.475 -13.563 -11.778
30 H ALA 8 H ALA 8 2.190 -13.721 -11.220
31 HA ALA 8 HA ALA 8 1.656 -12.786 -8.475
32 HB1 ALA 8 3HB ALA 8 1.280 -10.877 -9.724
33 HB2 ALA 8 1HB ALA 8 0.634 -11.776 -11.097
34 HB3 ALA 8 2HB ALA 8 -0.332 -11.586 -9.633
35 H GLY 9 H GLY 9 0.169 -13.882 -7.348
36 HA2 GLY 9 1HA GLY 9 -1.527 -15.795 -8.833
37 HA3 GLY 9 2HA GLY 9 -0.824 -16.151 -7.262
38 H LYS 10 H LYS 10 -1.542 -14.816 -5.433
39 HA LYS 10 HA LYS 10 -4.412 -14.361 -5.616
40 HB2 LYS 10 1HB LYS 10 -4.298 -14.198 -3.145
41 HB3 LYS 10 2HB LYS 10 -3.642 -15.709 -3.761
42 HG2 LYS 10 1HG LYS 10 -1.459 -15.117 -3.260
43 HG3 LYS 10 2HG LYS 10 -1.837 -13.394 -3.195
44 HD2 LYS 10 1HD LYS 10 -2.778 -13.549 -1.083
45 HD3 LYS 10 2HD LYS 10 -3.097 -15.278 -1.242
46 HE2 LYS 10 1HE LYS 10 -0.562 -15.566 -1.280
47 HE3 LYS 10 2HE LYS 10 -0.479 -13.896 -0.720
48 HZ1 LYS 10 3HZ LYS 10 -0.402 -15.317 1.168
49 HZ2 LYS 10 1HZ LYS 10 -1.763 -16.185 0.663
50 HZ3 LYS 10 2HZ LYS 10 -1.923 -14.578 1.164
51 H LYS 11 H LYS 11 -1.448 -12.599 -4.882
52 HA LYS 11 HA LYS 11 -2.676 -10.177 -4.096
53 HB2 LYS 11 1HB LYS 11 -0.174 -11.049 -3.935
54 HB3 LYS 11 2HB LYS 11 -0.013 -10.156 -5.441
55 HG2 LYS 11 1HG LYS 11 0.614 -8.627 -3.809
56 HG3 LYS 11 2HG LYS 11 -1.059 -8.195 -4.170
57 HD2 LYS 11 1HD LYS 11 -0.547 -10.149 -1.985
58 HD3 LYS 11 2HD LYS 11 -0.194 -8.446 -1.682
59 HE2 LYS 11 1HE LYS 11 -2.608 -8.164 -2.763
60 HE3 LYS 11 2HE LYS 11 -2.793 -9.804 -2.142
61 HZ1 LYS 11 3HZ LYS 11 -2.549 -9.105 0.024
62 HZ2 LYS 11 1HZ LYS 11 -3.401 -7.808 -0.650
63 HZ3 LYS 11 2HZ LYS 11 -1.734 -7.683 -0.396
64 H LEU 12 H LEU 12 -2.576 -8.127 -5.300
65 HA LEU 12 HA LEU 12 -2.945 -8.520 -8.196
66 HB2 LEU 12 1HB LEU 12 -4.474 -6.324 -7.592
67 HB3 LEU 12 2HB LEU 12 -5.073 -7.957 -7.877
68 HG LEU 12 HG LEU 12 -6.038 -6.893 -5.867
69 HD11 LEU 12 1HD1 LEU 12 -4.872 -8.884 -4.345
70 HD12 LEU 12 2HD1 LEU 12 -4.705 -9.464 -6.002
71 HD13 LEU 12 3HD1 LEU 12 -6.298 -9.046 -5.370
72 HD21 LEU 12 3HD2 LEU 12 -4.057 -7.151 -3.960
73 HD22 LEU 12 1HD2 LEU 12 -4.675 -5.640 -4.628
74 HD23 LEU 12 2HD2 LEU 12 -3.232 -6.384 -5.318
75 H PHE 13 H PHE 13 -1.451 -6.780 -5.673
76 HA PHE 13 HA PHE 13 -0.230 -4.978 -7.646
77 HB2 PHE 13 1HB PHE 13 -1.384 -4.232 -4.963
78 HB3 PHE 13 2HB PHE 13 -0.187 -3.230 -5.777
79 HD1 PHE 13 HD1 PHE 13 -3.369 -4.983 -6.645
80 HD2 PHE 13 HD2 PHE 13 -1.012 -1.453 -6.954
81 HE1 PHE 13 HE1 PHE 13 -5.162 -3.904 -7.940
82 HE2 PHE 13 HE2 PHE 13 -2.801 -0.368 -8.248
83 HZ PHE 13 HZ PHE 13 -4.880 -1.593 -8.742
84 H LYS 14 H LYS 14 1.926 -4.484 -7.309
85 HA LYS 14 HA LYS 14 3.248 -5.702 -4.991
86 HB2 LYS 14 1HB LYS 14 3.816 -7.386 -6.424
87 HB3 LYS 14 2HB LYS 14 3.645 -6.374 -7.852
88 HG2 LYS 14 1HG LYS 14 5.799 -5.653 -7.774
89 HG3 LYS 14 2HG LYS 14 5.898 -5.787 -6.016
90 HD2 LYS 14 1HD LYS 14 5.582 -8.289 -7.590
91 HD3 LYS 14 2HD LYS 14 7.151 -7.482 -7.628
92 HE2 LYS 14 1HE LYS 14 7.436 -7.699 -5.306
93 HE3 LYS 14 2HE LYS 14 5.733 -8.074 -5.047
94 HZ1 LYS 14 3HZ LYS 14 6.585 -10.033 -6.731
95 HZ2 LYS 14 1HZ LYS 14 6.378 -10.188 -5.059
96 HZ3 LYS 14 2HZ LYS 14 7.904 -9.825 -5.692
97 H CYS 15 H CYS 15 4.381 -4.182 -3.996
98 HA CYS 15 HA CYS 15 5.112 -1.742 -5.355
99 HB2 CYS 15 1HB CYS 15 4.292 -1.530 -3.108
100 HB3 CYS 15 2HB CYS 15 5.477 -2.686 -2.509
101 H ASN 16 H ASN 16 6.835 -1.793 -6.650
102 HA ASN 16 HA ASN 16 9.061 -3.551 -6.168
103 HB2 ASN 16 1HB ASN 16 8.065 -2.680 -8.443
104 HB3 ASN 16 2HB ASN 16 9.159 -1.328 -8.170
105 HD21 ASN 16 1HD2 ASN 16 9.429 -2.969 -10.349
106 HD22 ASN 16 2HD2 ASN 16 10.878 -3.897 -10.196
107 H GLU 17 H GLU 17 8.769 -1.915 -3.982
108 HA GLU 17 HA GLU 17 11.225 -0.312 -4.135
109 HB2 GLU 17 1HB GLU 17 8.843 0.583 -2.524
110 HB3 GLU 17 2HB GLU 17 10.284 1.501 -2.940
111 HG2 GLU 17 1HG GLU 17 9.406 1.049 -5.398
112 HG3 GLU 17 2HG GLU 17 7.865 0.927 -4.550
113 H CYS 18 H CYS 18 8.812 -1.742 -1.947
114 HA CYS 18 HA CYS 18 11.024 -2.582 -0.200
115 HB2 CYS 18 1HB CYS 18 9.687 -2.090 1.774
116 HB3 CYS 18 2HB CYS 18 9.878 -0.634 0.802
117 H LYS 19 H LYS 19 8.616 -3.554 -2.163
118 HA LYS 19 HA LYS 19 7.552 -5.533 -2.520
119 HB2 LYS 19 1HB LYS 19 9.279 -6.635 -0.301
120 HB3 LYS 19 2HB LYS 19 8.490 -7.543 -1.583
121 HG2 LYS 19 1HG LYS 19 10.682 -5.522 -2.000
122 HG3 LYS 19 2HG LYS 19 10.907 -7.272 -1.944
123 HD2 LYS 19 1HD LYS 19 9.178 -7.368 -3.830
124 HD3 LYS 19 2HD LYS 19 9.447 -5.631 -3.995
125 HE2 LYS 19 1HE LYS 19 10.922 -6.570 -5.537
126 HE3 LYS 19 2HE LYS 19 11.939 -6.236 -4.136
127 HZ1 LYS 19 3HZ LYS 19 12.476 -8.396 -4.864
128 HZ2 LYS 19 1HZ LYS 19 10.853 -8.852 -5.002
129 HZ3 LYS 19 2HZ LYS 19 11.534 -8.607 -3.474
130 H LYS 20 H LYS 20 6.047 -3.871 -1.139
131 HA LYS 20 HA LYS 20 4.839 -5.539 0.968
132 HB2 LYS 20 1HB LYS 20 5.861 -3.567 1.973
133 HB3 LYS 20 2HB LYS 20 4.996 -2.521 0.853
134 HG2 LYS 20 1HG LYS 20 2.978 -2.817 1.922
135 HG3 LYS 20 2HG LYS 20 3.465 -4.352 2.644
136 HD2 LYS 20 1HD LYS 20 4.956 -1.898 3.422
137 HD3 LYS 20 2HD LYS 20 3.328 -2.121 4.066
138 HE2 LYS 20 1HE LYS 20 4.771 -3.083 5.657
139 HE3 LYS 20 2HE LYS 20 4.082 -4.440 4.768
140 HZ1 LYS 20 3HZ LYS 20 6.059 -4.909 3.767
141 HZ2 LYS 20 1HZ LYS 20 6.640 -4.282 5.227
142 HZ3 LYS 20 2HZ LYS 20 6.623 -3.316 3.840
143 H THR 21 H THR 21 2.527 -5.351 1.196
144 HA THR 21 HA THR 21 1.151 -4.277 -1.170
145 HB THR 21 HB THR 21 -0.372 -6.283 -1.093
146 HG1 THR 21 HG1 THR 21 -0.054 -7.646 0.484
147 HG21 THR 21 3HG2 THR 21 1.976 -7.711 -1.771
148 HG22 THR 21 1HG2 THR 21 2.245 -6.024 -2.207
149 HG23 THR 21 2HG2 THR 21 0.850 -6.890 -2.852
150 H PHE 22 H PHE 22 -1.262 -4.183 -0.820
151 HA PHE 22 HA PHE 22 -2.028 -3.874 1.983
152 HB2 PHE 22 1HB PHE 22 -2.373 -1.685 -0.078
153 HB3 PHE 22 2HB PHE 22 -2.989 -1.649 1.570
154 HD1 PHE 22 HD1 PHE 22 0.189 -1.989 -0.335
155 HD2 PHE 22 HD2 PHE 22 -1.719 -0.687 3.240
156 HE1 PHE 22 HE1 PHE 22 2.305 -0.990 0.427
157 HE2 PHE 22 HE2 PHE 22 0.393 0.315 4.007
158 HZ PHE 22 HZ PHE 22 2.409 0.165 2.600
159 H THR 23 H THR 23 -4.033 -4.582 2.371
160 HA THR 23 HA THR 23 -5.531 -6.149 0.829
161 HB THR 23 HB THR 23 -6.716 -4.046 2.652
162 HG1 THR 23 HG1 THR 23 -6.394 -5.515 4.261
163 HG21 THR 23 3HG2 THR 23 -8.555 -4.894 1.521
164 HG22 THR 23 1HG2 THR 23 -8.450 -5.972 2.913
165 HG23 THR 23 2HG2 THR 23 -7.837 -6.495 1.344
166 H GLN 24 H GLN 24 -5.510 -2.637 0.632
167 HA GLN 24 HA GLN 24 -7.159 -2.834 -1.801
168 HB2 GLN 24 1HB GLN 24 -7.273 -0.903 0.472
169 HB3 GLN 24 2HB GLN 24 -7.668 -0.325 -1.141
170 HG2 GLN 24 1HG GLN 24 -9.582 -1.549 -1.268
171 HG3 GLN 24 2HG GLN 24 -8.974 -2.816 -0.203
172 HE21 GLN 24 1HE2 GLN 24 -10.204 -2.936 1.525
173 HE22 GLN 24 2HE2 GLN 24 -10.813 -1.603 2.439
174 H SER 25 H SER 25 -6.777 -1.089 -3.379
175 HA SER 25 HA SER 25 -3.986 -0.799 -3.883
176 HB2 SER 25 1HB SER 25 -5.333 -1.023 -5.808
177 HB3 SER 25 2HB SER 25 -6.468 0.211 -5.262
178 HG SER 25 HG SER 25 -5.306 1.456 -6.501
179 H SER 26 H SER 26 -6.573 1.499 -3.066
180 HA SER 26 HA SER 26 -5.201 3.867 -3.131
181 HB2 SER 26 1HB SER 26 -7.579 3.791 -2.650
182 HB3 SER 26 2HB SER 26 -7.276 2.984 -1.111
183 HG SER 26 HG SER 26 -6.547 5.625 -1.846
184 H SER 27 H SER 27 -5.278 1.512 -0.484
185 HA SER 27 HA SER 27 -3.781 2.961 1.378
186 HB2 SER 27 1HB SER 27 -4.224 0.018 0.941
187 HB3 SER 27 2HB SER 27 -3.148 0.589 2.216
188 HG SER 27 HG SER 27 -5.311 0.286 2.942
189 H LEU 28 H LEU 28 -2.782 0.950 -1.323
190 HA LEU 28 HA LEU 28 -0.005 0.954 -0.631
191 HB2 LEU 28 1HB LEU 28 -0.676 -0.860 -1.933
192 HB3 LEU 28 2HB LEU 28 -1.575 0.161 -3.055
193 HG LEU 28 HG LEU 28 0.582 1.024 -3.924
194 HD11 LEU 28 1HD1 LEU 28 2.458 0.697 -2.795
195 HD12 LEU 28 2HD1 LEU 28 2.309 -1.040 -3.056
196 HD13 LEU 28 3HD1 LEU 28 1.600 -0.301 -1.621
197 HD21 LEU 28 3HD2 LEU 28 1.281 -1.243 -4.939
198 HD22 LEU 28 1HD2 LEU 28 -0.344 -0.637 -5.257
199 HD23 LEU 28 2HD2 LEU 28 -0.093 -1.892 -4.044
200 H THR 29 H THR 29 -1.997 2.720 -2.978
201 HA THR 29 HA THR 29 -0.114 4.158 -4.336
202 HB THR 29 HB THR 29 -2.771 5.194 -3.331
203 HG1 THR 29 HG1 THR 29 -2.923 3.333 -4.667
204 HG21 THR 29 3HG2 THR 29 -0.842 6.768 -4.322
205 HG22 THR 29 1HG2 THR 29 -2.554 7.041 -4.638
206 HG23 THR 29 2HG2 THR 29 -1.558 6.210 -5.833
207 H VAL 30 H VAL 30 -1.743 5.330 -1.381
208 HA VAL 30 HA VAL 30 -0.157 7.593 -1.007
209 HB VAL 30 HB VAL 30 -2.304 7.105 0.185
210 HG11 VAL 30 1HG1 VAL 30 -0.773 5.634 2.269
211 HG12 VAL 30 2HG1 VAL 30 -2.492 5.576 1.876
212 HG13 VAL 30 3HG1 VAL 30 -1.322 4.749 0.847
213 HG21 VAL 30 3HG2 VAL 30 -1.128 8.977 0.963
214 HG22 VAL 30 1HG2 VAL 30 -1.466 8.036 2.416
215 HG23 VAL 30 2HG2 VAL 30 0.140 7.990 1.690
216 H HIS 31 H HIS 31 0.388 4.251 -0.130
217 HA HIS 31 HA HIS 31 2.565 4.738 1.644
218 HB2 HIS 31 1HB HIS 31 1.690 2.650 2.030
219 HB3 HIS 31 2HB HIS 31 1.369 2.350 0.325
220 HD1 HIS 31 HD1 HIS 31 4.164 2.242 2.848
221 HD2 HIS 31 HD2 HIS 31 3.349 0.987 -1.028
222 HE1 HIS 31 HE1 HIS 31 6.069 0.726 2.217
223 H GLN 32 H GLN 32 2.239 4.539 -1.787
224 HA GLN 32 HA GLN 32 4.952 3.914 -2.389
225 HB2 GLN 32 1HB GLN 32 2.756 3.832 -3.868
226 HB3 GLN 32 2HB GLN 32 3.258 5.462 -4.297
227 HG2 GLN 32 1HG GLN 32 4.246 4.220 -5.950
228 HG3 GLN 32 2HG GLN 32 5.553 4.349 -4.774
229 HE21 GLN 32 1HE2 GLN 32 2.714 2.264 -5.237
230 HE22 GLN 32 2HE2 GLN 32 3.567 0.774 -5.045
231 H ARG 33 H ARG 33 3.158 6.887 -1.882
232 HA ARG 33 HA ARG 33 4.935 8.746 -2.915
233 HB2 ARG 33 1HB ARG 33 3.155 8.954 -0.481
234 HB3 ARG 33 2HB ARG 33 3.973 10.320 -1.228
235 HG2 ARG 33 1HG ARG 33 2.617 10.291 -3.087
236 HG3 ARG 33 2HG ARG 33 2.194 8.590 -2.881
237 HD2 ARG 33 1HD ARG 33 0.951 9.257 -0.803
238 HD3 ARG 33 2HD ARG 33 1.225 10.937 -1.262
239 HE ARG 33 HE ARG 33 -0.623 9.075 -2.475
240 HH11 ARG 33 1HH1 ARG 33 1.115 12.074 -2.795
241 HH12 ARG 33 2HH1 ARG 33 0.029 12.728 -3.977
242 HH21 ARG 33 1HH2 ARG 33 -2.060 9.924 -4.030
243 HH22 ARG 33 2HH2 ARG 33 -1.777 11.504 -4.678
244 H ILE 34 H ILE 34 4.945 7.140 0.231
245 HA ILE 34 HA ILE 34 6.882 8.565 1.562
246 HB ILE 34 HB ILE 34 6.255 5.625 1.589
247 HG12 ILE 34 1HG1 ILE 34 5.698 6.499 4.050
248 HG13 ILE 34 2HG1 ILE 34 5.545 8.031 3.196
249 HG21 ILE 34 1HG2 ILE 34 8.619 5.838 2.125
250 HG22 ILE 34 2HG2 ILE 34 8.247 7.063 3.337
251 HG23 ILE 34 3HG2 ILE 34 7.693 5.404 3.562
252 HD11 ILE 34 3HD1 ILE 34 3.721 5.820 3.334
253 HD12 ILE 34 1HD1 ILE 34 3.471 7.448 2.703
254 HD13 ILE 34 2HD1 ILE 34 4.130 6.188 1.659
255 H HIS 35 H HIS 35 7.351 5.930 -0.767
256 HA HIS 35 HA HIS 35 10.185 5.913 -0.577
257 HB2 HIS 35 1HB HIS 35 8.503 4.968 -2.904
258 HB3 HIS 35 2HB HIS 35 10.139 4.458 -2.500
259 HD1 HIS 35 HD1 HIS 35 9.891 3.730 0.415
260 HD2 HIS 35 HD2 HIS 35 6.989 2.783 -2.404
261 HE1 HIS 35 HE1 HIS 35 8.625 1.785 1.381
262 H THR 36 H THR 36 7.884 7.661 -2.557
263 HA THR 36 HA THR 36 9.934 8.756 -4.280
264 HB THR 36 HB THR 36 8.205 9.850 -5.468
265 HG1 THR 36 HG1 THR 36 6.798 9.593 -3.045
266 HG21 THR 36 3HG2 THR 36 6.333 7.800 -5.065
267 HG22 THR 36 1HG2 THR 36 7.909 7.082 -4.735
268 HG23 THR 36 2HG2 THR 36 7.604 7.865 -6.285
269 H GLY 37 H GLY 37 10.435 9.315 -1.583
270 HA2 GLY 37 1HA GLY 37 10.819 12.123 -1.691
271 HA3 GLY 37 2HA GLY 37 9.492 11.739 -0.604
272 H GLU 38 H GLU 38 10.629 9.228 0.294
273 HA GLU 38 HA GLU 38 11.811 9.832 2.616
274 HB2 GLU 38 1HB GLU 38 12.703 7.642 2.725
275 HB3 GLU 38 2HB GLU 38 11.267 7.525 1.717
276 HG2 GLU 38 1HG GLU 38 12.571 7.392 -0.266
277 HG3 GLU 38 2HG GLU 38 14.048 7.791 0.609
278 H LYS 39 H LYS 39 13.722 10.526 3.405
279 HA LYS 39 HA LYS 39 15.646 11.579 1.517
280 HB2 LYS 39 1HB LYS 39 16.694 12.605 3.474
281 HB3 LYS 39 2HB LYS 39 14.966 12.928 3.447
282 HG2 LYS 39 1HG LYS 39 14.903 10.768 4.970
283 HG3 LYS 39 2HG LYS 39 16.561 11.267 5.316
284 HD2 LYS 39 1HD LYS 39 15.369 12.381 6.956
285 HD3 LYS 39 2HD LYS 39 15.494 13.610 5.695
286 HE2 LYS 39 1HE LYS 39 13.263 13.186 4.962
287 HE3 LYS 39 2HE LYS 39 13.136 11.757 5.986
288 HZ1 LYS 39 3HZ LYS 39 12.824 13.003 7.847
289 HZ2 LYS 39 1HZ LYS 39 12.134 14.054 6.714
290 HZ3 LYS 39 2HZ LYS 39 13.708 14.325 7.270
291 HA PRO 40 HA PRO 40 18.507 8.242 1.719
292 HB2 PRO 40 1HB PRO 40 20.788 9.578 1.099
293 HB3 PRO 40 2HB PRO 40 19.537 9.209 -0.094
294 HG2 PRO 40 1HG PRO 40 20.046 11.759 1.389
295 HG3 PRO 40 2HG PRO 40 19.643 11.520 -0.321
296 HD2 PRO 40 1HD PRO 40 17.803 12.275 1.517
297 HD3 PRO 40 2HD PRO 40 17.394 11.268 0.114
298 H SER 41 H SER 41 18.258 7.960 4.042
299 HA SER 41 HA SER 41 20.635 8.890 5.505
300 HB2 SER 41 1HB SER 41 18.866 10.212 6.403
301 HB3 SER 41 2HB SER 41 17.776 8.827 6.475
302 HG SER 41 HG SER 41 19.255 7.930 8.044
303 H GLY 42 H GLY 42 21.848 7.168 5.914
304 HA2 GLY 42 1HA GLY 42 20.848 4.504 5.878
305 HA3 GLY 42 2HA GLY 42 22.465 4.996 6.358
306 HA PRO 43 HA PRO 43 19.382 4.364 10.074
307 HB2 PRO 43 1HB PRO 43 18.720 1.731 10.055
308 HB3 PRO 43 2HB PRO 43 17.728 2.976 9.286
309 HG2 PRO 43 1HG PRO 43 19.709 1.101 8.051
310 HG3 PRO 43 2HG PRO 43 18.103 1.575 7.468
311 HD2 PRO 43 1HD PRO 43 20.385 2.652 6.487
312 HD3 PRO 43 2HD PRO 43 18.869 3.568 6.599
313 H SER 44 H SER 44 22.166 3.040 8.795
314 HA SER 44 HA SER 44 22.910 1.749 11.332
315 HB2 SER 44 1HB SER 44 23.827 1.365 8.500
316 HB3 SER 44 2HB SER 44 24.882 0.907 9.837
317 HG SER 44 HG SER 44 22.249 -0.036 9.350
318 H SER 45 H SER 45 24.803 2.316 12.389
319 HA SER 45 HA SER 45 25.957 4.892 11.552
320 HB2 SER 45 1HB SER 45 26.624 5.093 13.982
321 HB3 SER 45 2HB SER 45 24.886 5.119 13.684
322 HG SER 45 HG SER 45 26.460 2.982 14.669
323 H GLY 46 H GLY 46 27.550 4.035 10.194
324 HA2 GLY 46 1HA GLY 46 29.800 3.541 9.880
325 HA3 GLY 46 2HA GLY 46 29.923 3.144 11.587
Start of MODEL 13
1 H1 GLY 1 H GLY 1 0.864 -28.412 -12.573
2 HA2 GLY 1 1HA GLY 1 -0.141 -27.038 -10.430
3 HA3 GLY 1 2HA GLY 1 1.124 -28.042 -9.739
4 H SER 2 H SER 2 1.234 -25.277 -9.626
5 HA SER 2 HA SER 2 3.546 -24.747 -11.366
6 HB2 SER 2 1HB SER 2 1.651 -23.501 -12.271
7 HB3 SER 2 2HB SER 2 1.332 -22.795 -10.687
8 HG SER 2 HG SER 2 3.515 -22.337 -12.419
9 H SER 3 H SER 3 5.297 -23.957 -10.358
10 HA SER 3 HA SER 3 4.985 -23.037 -7.576
11 HB2 SER 3 1HB SER 3 6.987 -24.941 -8.763
12 HB3 SER 3 2HB SER 3 7.379 -24.016 -7.314
13 HG SER 3 HG SER 3 6.465 -25.781 -6.489
14 H GLY 4 H GLY 4 5.768 -21.074 -7.172
15 HA2 GLY 4 1HA GLY 4 8.168 -20.011 -8.096
16 HA3 GLY 4 2HA GLY 4 6.921 -19.487 -9.218
17 H SER 5 H SER 5 8.454 -18.892 -6.262
18 HA SER 5 HA SER 5 6.506 -17.617 -4.749
19 HB2 SER 5 1HB SER 5 8.891 -18.137 -4.064
20 HB3 SER 5 2HB SER 5 9.377 -16.692 -4.951
21 HG SER 5 HG SER 5 9.014 -16.281 -2.718
22 H SER 6 H SER 6 8.873 -16.012 -6.886
23 HA SER 6 HA SER 6 7.347 -13.571 -6.878
24 HB2 SER 6 1HB SER 6 9.104 -12.737 -8.399
25 HB3 SER 6 2HB SER 6 9.794 -13.490 -6.961
26 HG SER 6 HG SER 6 10.627 -15.023 -8.156
27 H GLY 7 H GLY 7 5.449 -13.633 -7.932
28 HA2 GLY 7 1HA GLY 7 5.499 -13.992 -10.802
29 HA3 GLY 7 2HA GLY 7 4.555 -15.200 -9.943
30 H ALA 8 H ALA 8 2.523 -14.669 -10.542
31 HA ALA 8 HA ALA 8 1.395 -12.269 -9.399
32 HB1 ALA 8 3HB ALA 8 0.406 -12.258 -12.054
33 HB2 ALA 8 1HB ALA 8 1.338 -11.013 -11.224
34 HB3 ALA 8 2HB ALA 8 2.167 -12.276 -12.134
35 H GLY 9 H GLY 9 -0.489 -12.824 -8.528
36 HA2 GLY 9 1HA GLY 9 -2.539 -14.205 -9.862
37 HA3 GLY 9 2HA GLY 9 -1.661 -15.355 -8.864
38 H LYS 10 H LYS 10 -2.063 -15.442 -6.721
39 HA LYS 10 HA LYS 10 -4.394 -14.505 -5.632
40 HB2 LYS 10 1HB LYS 10 -3.380 -14.943 -3.413
41 HB3 LYS 10 2HB LYS 10 -3.107 -16.249 -4.559
42 HG2 LYS 10 1HG LYS 10 -0.851 -15.724 -4.807
43 HG3 LYS 10 2HG LYS 10 -1.060 -14.103 -4.140
44 HD2 LYS 10 1HD LYS 10 -0.007 -15.336 -2.436
45 HD3 LYS 10 2HD LYS 10 -1.706 -15.259 -1.963
46 HE2 LYS 10 1HE LYS 10 -2.000 -17.508 -3.044
47 HE3 LYS 10 2HE LYS 10 -0.248 -17.573 -3.227
48 HZ1 LYS 10 3HZ LYS 10 -1.801 -17.486 -0.704
49 HZ2 LYS 10 1HZ LYS 10 -0.128 -17.236 -0.763
50 HZ3 LYS 10 2HZ LYS 10 -0.780 -18.719 -1.250
51 H LYS 11 H LYS 11 -1.324 -12.858 -5.888
52 HA LYS 11 HA LYS 11 -2.079 -10.696 -4.140
53 HB2 LYS 11 1HB LYS 11 0.284 -11.441 -4.469
54 HB3 LYS 11 2HB LYS 11 0.207 -10.823 -6.114
55 HG2 LYS 11 1HG LYS 11 1.243 -9.111 -4.958
56 HG3 LYS 11 2HG LYS 11 -0.443 -8.588 -5.009
57 HD2 LYS 11 1HD LYS 11 0.142 -8.216 -2.794
58 HD3 LYS 11 2HD LYS 11 -0.634 -9.800 -2.728
59 HE2 LYS 11 1HE LYS 11 1.349 -9.939 -1.425
60 HE3 LYS 11 2HE LYS 11 1.654 -10.816 -2.922
61 HZ1 LYS 11 3HZ LYS 11 2.971 -8.508 -1.874
62 HZ2 LYS 11 1HZ LYS 11 2.450 -8.264 -3.464
63 HZ3 LYS 11 2HZ LYS 11 3.466 -9.566 -3.098
64 H LEU 12 H LEU 12 -2.426 -8.520 -4.778
65 HA LEU 12 HA LEU 12 -3.364 -8.218 -7.556
66 HB2 LEU 12 1HB LEU 12 -4.809 -6.357 -6.271
67 HB3 LEU 12 2HB LEU 12 -5.370 -8.001 -6.568
68 HG LEU 12 HG LEU 12 -5.843 -7.233 -4.280
69 HD11 LEU 12 1HD1 LEU 12 -5.570 -9.304 -3.476
70 HD12 LEU 12 2HD1 LEU 12 -3.827 -9.286 -3.741
71 HD13 LEU 12 3HD1 LEU 12 -4.917 -9.665 -5.074
72 HD21 LEU 12 3HD2 LEU 12 -3.356 -6.079 -4.396
73 HD22 LEU 12 1HD2 LEU 12 -3.092 -7.470 -3.345
74 HD23 LEU 12 2HD2 LEU 12 -4.331 -6.281 -2.939
75 H PHE 13 H PHE 13 -1.521 -6.928 -4.939
76 HA PHE 13 HA PHE 13 -0.636 -4.738 -6.683
77 HB2 PHE 13 1HB PHE 13 -0.984 -4.379 -3.710
78 HB3 PHE 13 2HB PHE 13 -0.688 -3.141 -4.925
79 HD1 PHE 13 HD2 PHE 13 -2.631 -3.636 -6.970
80 HD2 PHE 13 HD1 PHE 13 -3.033 -3.997 -2.748
81 HE1 PHE 13 HE2 PHE 13 -5.053 -3.254 -7.171
82 HE2 PHE 13 HE1 PHE 13 -5.456 -3.616 -2.943
83 HZ PHE 13 HZ PHE 13 -6.469 -3.243 -5.156
84 H LYS 14 H LYS 14 1.525 -4.348 -6.687
85 HA LYS 14 HA LYS 14 3.196 -5.716 -4.702
86 HB2 LYS 14 1HB LYS 14 3.460 -7.280 -6.370
87 HB3 LYS 14 2HB LYS 14 3.202 -6.110 -7.657
88 HG2 LYS 14 1HG LYS 14 5.468 -6.785 -7.765
89 HG3 LYS 14 2HG LYS 14 5.448 -5.147 -7.107
90 HD2 LYS 14 1HD LYS 14 5.729 -6.016 -4.860
91 HD3 LYS 14 2HD LYS 14 5.650 -7.672 -5.465
92 HE2 LYS 14 1HE LYS 14 7.642 -6.787 -6.990
93 HE3 LYS 14 2HE LYS 14 7.846 -5.682 -5.632
94 HZ1 LYS 14 3HZ LYS 14 7.775 -8.644 -5.431
95 HZ2 LYS 14 1HZ LYS 14 8.021 -7.566 -4.150
96 HZ3 LYS 14 2HZ LYS 14 9.174 -7.694 -5.381
97 H CYS 15 H CYS 15 4.293 -4.144 -3.736
98 HA CYS 15 HA CYS 15 4.900 -1.670 -5.090
99 HB2 CYS 15 1HB CYS 15 4.228 -1.732 -2.702
100 HB3 CYS 15 2HB CYS 15 5.713 -2.602 -2.329
101 H ASN 16 H ASN 16 6.610 -1.425 -6.354
102 HA ASN 16 HA ASN 16 8.839 -3.266 -6.205
103 HB2 ASN 16 1HB ASN 16 8.283 -0.933 -8.051
104 HB3 ASN 16 2HB ASN 16 9.664 -2.017 -8.200
105 HD21 ASN 16 1HD2 ASN 16 9.025 -4.395 -8.246
106 HD22 ASN 16 2HD2 ASN 16 7.686 -4.798 -9.262
107 H GLU 17 H GLU 17 8.500 -1.579 -3.927
108 HA GLU 17 HA GLU 17 11.050 -0.120 -4.040
109 HB2 GLU 17 1HB GLU 17 8.721 0.870 -2.413
110 HB3 GLU 17 2HB GLU 17 10.193 1.727 -2.848
111 HG2 GLU 17 1HG GLU 17 9.261 1.319 -5.293
112 HG3 GLU 17 2HG GLU 17 7.729 1.259 -4.423
113 H CYS 18 H CYS 18 8.610 -1.686 -2.015
114 HA CYS 18 HA CYS 18 10.759 -2.454 -0.159
115 HB2 CYS 18 1HB CYS 18 9.258 -2.156 1.736
116 HB3 CYS 18 2HB CYS 18 9.410 -0.645 0.846
117 H LYS 19 H LYS 19 8.887 -3.621 -2.412
118 HA LYS 19 HA LYS 19 7.838 -5.593 -2.878
119 HB2 LYS 19 1HB LYS 19 9.939 -6.395 -0.879
120 HB3 LYS 19 2HB LYS 19 8.890 -7.587 -1.634
121 HG2 LYS 19 1HG LYS 19 10.808 -7.605 -2.946
122 HG3 LYS 19 2HG LYS 19 9.679 -6.601 -3.859
123 HD2 LYS 19 1HD LYS 19 11.521 -5.260 -3.957
124 HD3 LYS 19 2HD LYS 19 10.831 -4.677 -2.441
125 HE2 LYS 19 1HE LYS 19 12.708 -6.978 -2.332
126 HE3 LYS 19 2HE LYS 19 13.379 -5.379 -2.649
127 HZ1 LYS 19 3HZ LYS 19 11.732 -6.162 -0.305
128 HZ2 LYS 19 1HZ LYS 19 12.269 -4.590 -0.624
129 HZ3 LYS 19 2HZ LYS 19 13.388 -5.817 -0.300
130 H LYS 20 H LYS 20 6.182 -4.174 -1.377
131 HA LYS 20 HA LYS 20 5.005 -6.178 0.419
132 HB2 LYS 20 1HB LYS 20 6.173 -4.325 1.688
133 HB3 LYS 20 2HB LYS 20 4.986 -3.218 1.011
134 HG2 LYS 20 1HG LYS 20 3.192 -4.486 2.083
135 HG3 LYS 20 2HG LYS 20 4.387 -5.590 2.769
136 HD2 LYS 20 1HD LYS 20 4.137 -4.165 4.535
137 HD3 LYS 20 2HD LYS 20 5.422 -3.322 3.667
138 HE2 LYS 20 1HE LYS 20 3.925 -1.616 4.103
139 HE3 LYS 20 2HE LYS 20 3.466 -2.105 2.473
140 HZ1 LYS 20 3HZ LYS 20 2.048 -3.647 4.359
141 HZ2 LYS 20 1HZ LYS 20 1.443 -2.581 3.192
142 HZ3 LYS 20 2HZ LYS 20 1.854 -2.008 4.730
143 H THR 21 H THR 21 2.673 -5.801 0.812
144 HA THR 21 HA THR 21 1.377 -4.376 -1.415
145 HB THR 21 HB THR 21 1.281 -6.693 -2.026
146 HG1 THR 21 HG1 THR 21 -1.207 -5.946 -0.847
147 HG21 THR 21 3HG2 THR 21 -0.244 -7.982 -0.094
148 HG22 THR 21 1HG2 THR 21 0.956 -7.079 0.830
149 HG23 THR 21 2HG2 THR 21 1.475 -8.223 -0.409
150 H PHE 22 H PHE 22 -0.981 -4.004 -1.009
151 HA PHE 22 HA PHE 22 -1.560 -3.681 1.857
152 HB2 PHE 22 1HB PHE 22 -1.925 -1.641 -0.340
153 HB3 PHE 22 2HB PHE 22 -2.700 -1.508 1.235
154 HD1 PHE 22 HD1 PHE 22 0.719 -2.220 -0.090
155 HD2 PHE 22 HD2 PHE 22 -1.678 -0.098 2.715
156 HE1 PHE 22 HE1 PHE 22 2.736 -1.129 0.803
157 HE2 PHE 22 HE2 PHE 22 0.334 0.996 3.612
158 HZ PHE 22 HZ PHE 22 2.545 0.482 2.656
159 H THR 23 H THR 23 -3.596 -4.172 2.490
160 HA THR 23 HA THR 23 -5.200 -5.925 1.255
161 HB THR 23 HB THR 23 -6.205 -3.605 2.915
162 HG1 THR 23 HG1 THR 23 -5.460 -4.707 4.562
163 HG21 THR 23 3HG2 THR 23 -7.515 -6.041 1.830
164 HG22 THR 23 1HG2 THR 23 -8.184 -4.439 2.133
165 HG23 THR 23 2HG2 THR 23 -7.925 -5.554 3.474
166 H GLN 24 H GLN 24 -5.188 -2.455 0.661
167 HA GLN 24 HA GLN 24 -6.907 -2.926 -1.680
168 HB2 GLN 24 1HB GLN 24 -7.004 -0.519 0.146
169 HB3 GLN 24 2HB GLN 24 -7.949 -0.729 -1.322
170 HG2 GLN 24 1HG GLN 24 -8.867 -2.838 -0.203
171 HG3 GLN 24 2HG GLN 24 -8.189 -2.181 1.285
172 HE21 GLN 24 1HE2 GLN 24 -10.914 -2.668 0.888
173 HE22 GLN 24 2HE2 GLN 24 -11.749 -1.156 0.912
174 H SER 25 H SER 25 -6.714 -1.155 -3.323
175 HA SER 25 HA SER 25 -3.946 -0.735 -3.916
176 HB2 SER 25 1HB SER 25 -5.863 -1.163 -5.581
177 HB3 SER 25 2HB SER 25 -6.241 0.548 -5.389
178 HG SER 25 HG SER 25 -4.023 -0.671 -6.575
179 H SER 26 H SER 26 -6.678 1.450 -3.255
180 HA SER 26 HA SER 26 -5.454 3.884 -3.439
181 HB2 SER 26 1HB SER 26 -7.515 2.953 -1.434
182 HB3 SER 26 2HB SER 26 -7.048 4.641 -1.631
183 HG SER 26 HG SER 26 -8.262 4.738 -3.335
184 H SER 27 H SER 27 -5.291 1.610 -0.746
185 HA SER 27 HA SER 27 -3.868 3.315 1.016
186 HB2 SER 27 1HB SER 27 -5.145 1.034 1.432
187 HB3 SER 27 2HB SER 27 -3.545 0.345 1.158
188 HG SER 27 HG SER 27 -2.758 1.580 2.859
189 H LEU 28 H LEU 28 -2.903 1.123 -1.532
190 HA LEU 28 HA LEU 28 -0.139 1.035 -0.859
191 HB2 LEU 28 1HB LEU 28 -0.793 -0.722 -2.202
192 HB3 LEU 28 2HB LEU 28 -1.776 0.305 -3.243
193 HG LEU 28 HG LEU 28 0.262 1.193 -4.279
194 HD11 LEU 28 1HD1 LEU 28 1.510 -0.232 -2.063
195 HD12 LEU 28 2HD1 LEU 28 2.118 1.103 -3.042
196 HD13 LEU 28 3HD1 LEU 28 2.265 -0.556 -3.623
197 HD21 LEU 28 3HD2 LEU 28 0.396 -0.516 -5.745
198 HD22 LEU 28 1HD2 LEU 28 -0.937 -1.163 -4.788
199 HD23 LEU 28 2HD2 LEU 28 0.712 -1.713 -4.488
200 H THR 29 H THR 29 -2.027 2.937 -3.186
201 HA THR 29 HA THR 29 0.015 4.320 -4.432
202 HB THR 29 HB THR 29 -2.707 5.413 -3.693
203 HG1 THR 29 HG1 THR 29 -1.792 3.661 -5.668
204 HG21 THR 29 3HG2 THR 29 -1.530 7.282 -4.398
205 HG22 THR 29 1HG2 THR 29 -2.230 6.698 -5.907
206 HG23 THR 29 2HG2 THR 29 -0.540 6.359 -5.529
207 H VAL 30 H VAL 30 -1.846 5.402 -1.585
208 HA VAL 30 HA VAL 30 -0.389 7.727 -1.081
209 HB VAL 30 HB VAL 30 -2.568 7.133 -0.017
210 HG11 VAL 30 1HG1 VAL 30 -0.817 5.150 1.353
211 HG12 VAL 30 2HG1 VAL 30 -2.167 5.856 2.244
212 HG13 VAL 30 3HG1 VAL 30 -2.463 4.972 0.746
213 HG21 VAL 30 3HG2 VAL 30 -2.191 8.641 1.610
214 HG22 VAL 30 1HG2 VAL 30 -0.867 7.706 2.307
215 HG23 VAL 30 2HG2 VAL 30 -0.578 8.734 0.903
216 H HIS 31 H HIS 31 0.412 4.422 -0.520
217 HA HIS 31 HA HIS 31 2.537 5.080 1.363
218 HB2 HIS 31 1HB HIS 31 1.637 3.088 2.061
219 HB3 HIS 31 2HB HIS 31 1.230 2.575 0.426
220 HD1 HIS 31 HD1 HIS 31 4.096 2.664 2.855
221 HD2 HIS 31 HD2 HIS 31 3.150 1.037 -0.849
222 HE1 HIS 31 HE1 HIS 31 5.942 1.033 2.345
223 H GLN 32 H GLN 32 2.093 4.770 -1.978
224 HA GLN 32 HA GLN 32 4.635 3.753 -2.722
225 HB2 GLN 32 1HB GLN 32 2.407 4.067 -4.099
226 HB3 GLN 32 2HB GLN 32 3.123 5.624 -4.495
227 HG2 GLN 32 1HG GLN 32 3.710 4.154 -6.237
228 HG3 GLN 32 2HG GLN 32 5.161 4.372 -5.261
229 HE21 GLN 32 1HE2 GLN 32 2.292 2.295 -5.014
230 HE22 GLN 32 2HE2 GLN 32 3.167 0.813 -4.870
231 H ARG 33 H ARG 33 3.408 6.963 -2.031
232 HA ARG 33 HA ARG 33 5.679 8.366 -3.037
233 HB2 ARG 33 1HB ARG 33 4.733 10.292 -1.762
234 HB3 ARG 33 2HB ARG 33 3.587 9.533 -2.859
235 HG2 ARG 33 1HG ARG 33 3.539 8.438 -0.149
236 HG3 ARG 33 2HG ARG 33 3.103 10.146 -0.252
237 HD2 ARG 33 1HD ARG 33 1.800 7.789 -1.576
238 HD3 ARG 33 2HD ARG 33 1.078 8.992 -0.508
239 HE ARG 33 HE ARG 33 1.497 9.215 -3.349
240 HH11 ARG 33 1HH1 ARG 33 0.998 10.941 -0.367
241 HH12 ARG 33 2HH1 ARG 33 0.369 12.358 -1.140
242 HH21 ARG 33 1HH2 ARG 33 0.670 11.075 -4.379
243 HH22 ARG 33 2HH2 ARG 33 0.182 12.433 -3.422
244 H ILE 34 H ILE 34 4.901 6.792 -0.050
245 HA ILE 34 HA ILE 34 6.476 8.036 1.809
246 HB ILE 34 HB ILE 34 5.856 5.130 1.393
247 HG12 ILE 34 1HG1 ILE 34 4.303 5.419 3.097
248 HG13 ILE 34 2HG1 ILE 34 5.174 6.778 3.800
249 HG21 ILE 34 1HG2 ILE 34 7.954 4.925 2.401
250 HG22 ILE 34 2HG2 ILE 34 7.700 6.336 3.427
251 HG23 ILE 34 3HG2 ILE 34 6.820 4.843 3.749
252 HD11 ILE 34 3HD1 ILE 34 3.547 6.805 1.271
253 HD12 ILE 34 1HD1 ILE 34 3.118 7.539 2.815
254 HD13 ILE 34 2HD1 ILE 34 4.482 8.166 1.889
255 H HIS 35 H HIS 35 7.503 5.784 -0.711
256 HA HIS 35 HA HIS 35 10.244 5.771 0.163
257 HB2 HIS 35 1HB HIS 35 9.239 4.871 -2.533
258 HB3 HIS 35 2HB HIS 35 10.666 4.316 -1.664
259 HD1 HIS 35 HD1 HIS 35 10.152 2.854 0.540
260 HD2 HIS 35 HD2 HIS 35 6.987 3.395 -2.095
261 HE1 HIS 35 HE1 HIS 35 8.465 1.091 1.146
262 H THR 36 H THR 36 8.304 7.560 -2.113
263 HA THR 36 HA THR 36 10.710 9.010 -3.005
264 HB THR 36 HB THR 36 9.493 7.918 -4.842
265 HG1 THR 36 HG1 THR 36 8.935 10.654 -5.166
266 HG21 THR 36 3HG2 THR 36 7.258 7.790 -4.221
267 HG22 THR 36 1HG2 THR 36 7.241 9.075 -5.428
268 HG23 THR 36 2HG2 THR 36 7.198 9.477 -3.712
269 H GLY 37 H GLY 37 9.567 9.632 -0.528
270 HA2 GLY 37 1HA GLY 37 9.082 12.429 -0.886
271 HA3 GLY 37 2HA GLY 37 7.625 11.572 -0.404
272 H GLU 38 H GLU 38 10.663 10.366 0.704
273 HA GLU 38 HA GLU 38 10.198 11.599 3.338
274 HB2 GLU 38 1HB GLU 38 10.668 8.732 2.621
275 HB3 GLU 38 2HB GLU 38 11.258 9.338 4.163
276 HG2 GLU 38 1HG GLU 38 8.801 10.245 4.372
277 HG3 GLU 38 2HG GLU 38 8.469 8.960 3.213
278 H LYS 39 H LYS 39 11.951 12.388 4.379
279 HA LYS 39 HA LYS 39 14.212 13.183 3.092
280 HB2 LYS 39 1HB LYS 39 13.930 12.450 6.011
281 HB3 LYS 39 2HB LYS 39 15.285 13.350 5.343
282 HG2 LYS 39 1HG LYS 39 13.715 15.105 4.607
283 HG3 LYS 39 2HG LYS 39 12.401 14.215 5.379
284 HD2 LYS 39 1HD LYS 39 13.364 14.513 7.538
285 HD3 LYS 39 2HD LYS 39 14.862 15.143 6.849
286 HE2 LYS 39 1HE LYS 39 12.179 16.478 6.536
287 HE3 LYS 39 2HE LYS 39 13.326 16.874 7.815
288 HZ1 LYS 39 3HZ LYS 39 13.390 18.315 5.767
289 HZ2 LYS 39 1HZ LYS 39 14.049 16.990 4.946
290 HZ3 LYS 39 2HZ LYS 39 14.874 17.667 6.258
291 HA PRO 40 HA PRO 40 16.697 9.623 2.364
292 HB2 PRO 40 1HB PRO 40 19.124 10.823 2.164
293 HB3 PRO 40 2HB PRO 40 17.889 10.938 0.905
294 HG2 PRO 40 1HG PRO 40 18.597 12.904 3.049
295 HG3 PRO 40 2HG PRO 40 18.239 13.196 1.337
296 HD2 PRO 40 1HD PRO 40 16.416 13.604 3.297
297 HD3 PRO 40 2HD PRO 40 15.960 13.078 1.663
298 H SER 41 H SER 41 18.768 8.590 3.182
299 HA SER 41 HA SER 41 18.618 8.002 5.854
300 HB2 SER 41 1HB SER 41 19.910 6.655 4.270
301 HB3 SER 41 2HB SER 41 21.099 7.948 4.118
302 HG SER 41 HG SER 41 21.908 6.538 5.604
303 H GLY 42 H GLY 42 20.609 10.487 4.302
304 HA2 GLY 42 1HA GLY 42 22.279 11.387 6.178
305 HA3 GLY 42 2HA GLY 42 21.310 12.504 5.229
306 HA PRO 43 HA PRO 43 19.495 13.969 8.944
307 HB2 PRO 43 1HB PRO 43 17.131 14.897 7.986
308 HB3 PRO 43 2HB PRO 43 18.672 15.712 7.694
309 HG2 PRO 43 1HG PRO 43 17.133 13.872 5.903
310 HG3 PRO 43 2HG PRO 43 17.964 15.387 5.503
311 HD2 PRO 43 1HD PRO 43 19.044 12.956 4.999
312 HD3 PRO 43 2HD PRO 43 20.032 14.374 5.406
313 H SER 44 H SER 44 19.253 11.892 9.959
314 HA SER 44 HA SER 44 16.673 10.561 9.598
315 HB2 SER 44 1HB SER 44 19.311 9.769 10.737
316 HB3 SER 44 2HB SER 44 17.870 8.993 11.394
317 HG SER 44 HG SER 44 17.348 8.635 9.055
318 H SER 45 H SER 45 18.673 11.962 12.179
319 HA SER 45 HA SER 45 17.117 11.575 14.377
320 HB2 SER 45 1HB SER 45 18.458 14.209 13.727
321 HB3 SER 45 2HB SER 45 18.092 13.573 15.330
322 HG SER 45 HG SER 45 19.826 12.385 15.244
323 H GLY 46 H GLY 46 16.841 14.422 12.236
324 HA2 GLY 46 1HA GLY 46 15.112 15.917 11.954
325 HA3 GLY 46 2HA GLY 46 14.125 14.464 11.902
Start of MODEL 14
1 H1 GLY 1 H GLY 1 8.277 -24.598 -15.793
2 HA2 GLY 1 1HA GLY 1 8.806 -22.851 -17.740
3 HA3 GLY 1 2HA GLY 1 8.549 -24.315 -18.677
4 H SER 2 H SER 2 6.734 -23.434 -19.707
5 HA SER 2 HA SER 2 4.538 -22.894 -19.998
6 HB2 SER 2 1HB SER 2 4.281 -25.230 -19.275
7 HB3 SER 2 2HB SER 2 4.221 -24.707 -17.592
8 HG SER 2 HG SER 2 2.151 -24.611 -17.965
9 H SER 3 H SER 3 5.953 -20.958 -18.606
10 HA SER 3 HA SER 3 4.766 -20.134 -16.192
11 HB2 SER 3 1HB SER 3 6.948 -19.298 -17.119
12 HB3 SER 3 2HB SER 3 6.026 -18.339 -18.276
13 HG SER 3 HG SER 3 5.735 -16.922 -16.767
14 H GLY 4 H GLY 4 2.514 -20.332 -16.425
15 HA2 GLY 4 1HA GLY 4 1.300 -18.119 -17.951
16 HA3 GLY 4 2HA GLY 4 0.621 -19.737 -18.029
17 H SER 5 H SER 5 -0.079 -16.902 -16.834
18 HA SER 5 HA SER 5 -0.966 -17.897 -14.209
19 HB2 SER 5 1HB SER 5 -0.252 -15.162 -15.214
20 HB3 SER 5 2HB SER 5 -1.363 -15.330 -13.855
21 HG SER 5 HG SER 5 1.272 -16.374 -14.018
22 H SER 6 H SER 6 -2.819 -18.952 -14.976
23 HA SER 6 HA SER 6 -4.862 -17.271 -16.246
24 HB2 SER 6 1HB SER 6 -6.032 -19.425 -16.693
25 HB3 SER 6 2HB SER 6 -4.421 -19.356 -17.409
26 HG SER 6 HG SER 6 -3.748 -20.869 -16.077
27 H GLY 7 H GLY 7 -5.570 -16.115 -14.444
28 HA2 GLY 7 1HA GLY 7 -6.988 -15.723 -12.678
29 HA3 GLY 7 2HA GLY 7 -7.622 -17.343 -12.926
30 H ALA 8 H ALA 8 -7.679 -16.887 -10.450
31 HA ALA 8 HA ALA 8 -6.999 -17.615 -8.401
32 HB1 ALA 8 3HB ALA 8 -6.082 -19.641 -8.433
33 HB2 ALA 8 1HB ALA 8 -5.941 -19.465 -10.182
34 HB3 ALA 8 2HB ALA 8 -4.587 -19.028 -9.139
35 H GLY 9 H GLY 9 -6.147 -15.092 -9.311
36 HA2 GLY 9 1HA GLY 9 -3.351 -14.735 -8.753
37 HA3 GLY 9 2HA GLY 9 -4.539 -13.462 -8.995
38 H LYS 10 H LYS 10 -2.520 -14.887 -6.784
39 HA LYS 10 HA LYS 10 -4.073 -14.654 -4.410
40 HB2 LYS 10 1HB LYS 10 -1.885 -14.842 -3.248
41 HB3 LYS 10 2HB LYS 10 -2.147 -16.109 -4.439
42 HG2 LYS 10 1HG LYS 10 -0.835 -14.472 -6.010
43 HG3 LYS 10 2HG LYS 10 -0.235 -13.829 -4.480
44 HD2 LYS 10 1HD LYS 10 0.690 -15.927 -3.862
45 HD3 LYS 10 2HD LYS 10 -0.151 -16.759 -5.173
46 HE2 LYS 10 1HE LYS 10 1.730 -14.552 -5.851
47 HE3 LYS 10 2HE LYS 10 2.398 -16.110 -5.366
48 HZ1 LYS 10 3HZ LYS 10 0.430 -15.733 -7.558
49 HZ2 LYS 10 1HZ LYS 10 1.206 -17.176 -7.135
50 HZ3 LYS 10 2HZ LYS 10 2.099 -15.894 -7.783
51 H LYS 11 H LYS 11 -1.550 -12.603 -5.859
52 HA LYS 11 HA LYS 11 -2.387 -10.422 -4.072
53 HB2 LYS 11 1HB LYS 11 0.094 -11.313 -4.369
54 HB3 LYS 11 2HB LYS 11 0.068 -10.236 -5.759
55 HG2 LYS 11 1HG LYS 11 0.992 -9.077 -3.873
56 HG3 LYS 11 2HG LYS 11 -0.581 -8.379 -4.266
57 HD2 LYS 11 1HD LYS 11 -0.196 -8.711 -1.825
58 HD3 LYS 11 2HD LYS 11 -1.623 -9.543 -2.447
59 HE2 LYS 11 1HE LYS 11 -0.260 -10.913 -0.883
60 HE3 LYS 11 2HE LYS 11 -0.461 -11.640 -2.476
61 HZ1 LYS 11 3HZ LYS 11 1.759 -10.657 -3.037
62 HZ2 LYS 11 1HZ LYS 11 1.793 -11.897 -1.886
63 HZ3 LYS 11 2HZ LYS 11 1.942 -10.285 -1.396
64 H LEU 12 H LEU 12 -2.448 -8.240 -4.990
65 HA LEU 12 HA LEU 12 -3.085 -8.203 -7.861
66 HB2 LEU 12 1HB LEU 12 -4.766 -6.318 -6.921
67 HB3 LEU 12 2HB LEU 12 -5.225 -7.991 -7.230
68 HG LEU 12 HG LEU 12 -6.089 -7.166 -5.088
69 HD11 LEU 12 1HD1 LEU 12 -4.732 -9.561 -5.576
70 HD12 LEU 12 2HD1 LEU 12 -5.938 -9.245 -4.329
71 HD13 LEU 12 3HD1 LEU 12 -4.224 -9.044 -3.968
72 HD21 LEU 12 3HD2 LEU 12 -3.463 -7.207 -3.774
73 HD22 LEU 12 1HD2 LEU 12 -4.850 -6.147 -3.516
74 HD23 LEU 12 2HD2 LEU 12 -3.737 -5.835 -4.849
75 H PHE 13 H PHE 13 -1.892 -6.544 -5.034
76 HA PHE 13 HA PHE 13 -0.673 -4.534 -6.795
77 HB2 PHE 13 1HB PHE 13 -1.663 -3.786 -4.057
78 HB3 PHE 13 2HB PHE 13 -1.253 -2.733 -5.407
79 HD1 PHE 13 HD2 PHE 13 -2.748 -3.732 -7.624
80 HD2 PHE 13 HD1 PHE 13 -3.877 -3.513 -3.526
81 HE1 PHE 13 HE2 PHE 13 -5.117 -3.657 -8.285
82 HE2 PHE 13 HE1 PHE 13 -6.248 -3.439 -4.180
83 HZ PHE 13 HZ PHE 13 -6.870 -3.509 -6.562
84 H LYS 14 H LYS 14 1.446 -4.270 -6.480
85 HA LYS 14 HA LYS 14 2.620 -5.058 -3.910
86 HB2 LYS 14 1HB LYS 14 2.748 -6.799 -5.918
87 HB3 LYS 14 2HB LYS 14 4.101 -5.781 -6.393
88 HG2 LYS 14 1HG LYS 14 4.767 -6.123 -3.852
89 HG3 LYS 14 2HG LYS 14 3.809 -7.590 -4.065
90 HD2 LYS 14 1HD LYS 14 6.028 -8.196 -4.591
91 HD3 LYS 14 2HD LYS 14 5.203 -8.024 -6.142
92 HE2 LYS 14 1HE LYS 14 6.622 -5.670 -4.988
93 HE3 LYS 14 2HE LYS 14 7.571 -6.954 -5.735
94 HZ1 LYS 14 3HZ LYS 14 7.180 -5.780 -7.591
95 HZ2 LYS 14 1HZ LYS 14 5.820 -4.998 -6.958
96 HZ3 LYS 14 2HZ LYS 14 5.682 -6.565 -7.579
97 H CYS 15 H CYS 15 4.472 -3.943 -3.322
98 HA CYS 15 HA CYS 15 4.894 -1.447 -4.756
99 HB2 CYS 15 1HB CYS 15 4.674 -1.854 -2.145
100 HB3 CYS 15 2HB CYS 15 6.405 -2.143 -2.277
101 H ASN 16 H ASN 16 6.529 -1.108 -6.103
102 HA ASN 16 HA ASN 16 8.551 -3.147 -6.452
103 HB2 ASN 16 1HB ASN 16 8.224 -0.521 -7.919
104 HB3 ASN 16 2HB ASN 16 9.216 -1.887 -8.420
105 HD21 ASN 16 1HD2 ASN 16 8.350 -3.010 -9.990
106 HD22 ASN 16 2HD2 ASN 16 6.663 -3.283 -10.246
107 H GLU 17 H GLU 17 8.553 -1.553 -3.988
108 HA GLU 17 HA GLU 17 11.306 -0.551 -4.183
109 HB2 GLU 17 1HB GLU 17 9.153 0.819 -2.568
110 HB3 GLU 17 2HB GLU 17 10.809 1.358 -2.804
111 HG2 GLU 17 1HG GLU 17 9.121 0.991 -5.212
112 HG3 GLU 17 2HG GLU 17 8.785 2.370 -4.168
113 H CYS 18 H CYS 18 8.686 -1.680 -2.095
114 HA CYS 18 HA CYS 18 10.720 -2.826 -0.301
115 HB2 CYS 18 1HB CYS 18 9.331 -2.332 1.623
116 HB3 CYS 18 2HB CYS 18 9.642 -0.844 0.735
117 H LYS 19 H LYS 19 8.947 -3.812 -2.580
118 HA LYS 19 HA LYS 19 7.490 -5.535 -3.045
119 HB2 LYS 19 1HB LYS 19 9.156 -6.988 -0.995
120 HB3 LYS 19 2HB LYS 19 8.403 -7.648 -2.441
121 HG2 LYS 19 1HG LYS 19 10.675 -5.671 -2.407
122 HG3 LYS 19 2HG LYS 19 10.825 -7.408 -2.682
123 HD2 LYS 19 1HD LYS 19 9.238 -7.107 -4.627
124 HD3 LYS 19 2HD LYS 19 9.446 -5.367 -4.415
125 HE2 LYS 19 1HE LYS 19 11.788 -7.218 -4.747
126 HE3 LYS 19 2HE LYS 19 10.932 -6.547 -6.134
127 HZ1 LYS 19 3HZ LYS 19 12.655 -5.061 -5.765
128 HZ2 LYS 19 1HZ LYS 19 12.506 -5.128 -4.081
129 HZ3 LYS 19 2HZ LYS 19 11.345 -4.310 -5.000
130 H LYS 20 H LYS 20 6.226 -3.902 -1.266
131 HA LYS 20 HA LYS 20 5.014 -5.748 0.683
132 HB2 LYS 20 1HB LYS 20 6.087 -3.670 1.588
133 HB3 LYS 20 2HB LYS 20 4.901 -2.728 0.693
134 HG2 LYS 20 1HG LYS 20 3.101 -3.779 1.969
135 HG3 LYS 20 2HG LYS 20 4.294 -4.720 2.869
136 HD2 LYS 20 1HD LYS 20 4.405 -1.721 2.783
137 HD3 LYS 20 2HD LYS 20 3.383 -2.570 3.945
138 HE2 LYS 20 1HE LYS 20 5.375 -3.795 4.743
139 HE3 LYS 20 2HE LYS 20 6.370 -2.854 3.632
140 HZ1 LYS 20 3HZ LYS 20 6.257 -2.055 6.010
141 HZ2 LYS 20 1HZ LYS 20 4.667 -1.576 5.687
142 HZ3 LYS 20 2HZ LYS 20 5.948 -0.895 4.818
143 H THR 21 H THR 21 2.726 -5.723 0.939
144 HA THR 21 HA THR 21 1.262 -4.648 -1.382
145 HB THR 21 HB THR 21 -0.206 -6.610 -1.332
146 HG1 THR 21 HG1 THR 21 1.226 -7.120 0.972
147 HG21 THR 21 3HG2 THR 21 1.220 -7.353 -2.879
148 HG22 THR 21 1HG2 THR 21 2.033 -8.261 -1.605
149 HG23 THR 21 2HG2 THR 21 2.595 -6.645 -2.031
150 H PHE 22 H PHE 22 -1.170 -4.619 -0.940
151 HA PHE 22 HA PHE 22 -1.862 -4.182 1.852
152 HB2 PHE 22 1HB PHE 22 -2.163 -2.010 -0.234
153 HB3 PHE 22 2HB PHE 22 -2.783 -1.938 1.412
154 HD1 PHE 22 HD1 PHE 22 0.321 -2.135 -0.591
155 HD2 PHE 22 HD2 PHE 22 -1.423 -1.234 3.186
156 HE1 PHE 22 HE1 PHE 22 2.459 -1.180 0.165
157 HE2 PHE 22 HE2 PHE 22 0.712 -0.278 3.948
158 HZ PHE 22 HZ PHE 22 2.657 -0.249 2.436
159 H THR 23 H THR 23 -3.986 -4.557 2.295
160 HA THR 23 HA THR 23 -5.540 -6.222 0.899
161 HB THR 23 HB THR 23 -6.669 -3.852 2.401
162 HG1 THR 23 HG1 THR 23 -5.833 -4.804 4.086
163 HG21 THR 23 3HG2 THR 23 -7.907 -6.575 2.155
164 HG22 THR 23 1HG2 THR 23 -8.200 -5.328 0.944
165 HG23 THR 23 2HG2 THR 23 -8.663 -5.053 2.624
166 H GLN 24 H GLN 24 -5.371 -2.739 0.357
167 HA GLN 24 HA GLN 24 -6.789 -3.146 -2.187
168 HB2 GLN 24 1HB GLN 24 -7.148 -0.824 -0.286
169 HB3 GLN 24 2HB GLN 24 -7.842 -0.922 -1.898
170 HG2 GLN 24 1HG GLN 24 -8.407 -3.082 0.075
171 HG3 GLN 24 2HG GLN 24 -9.260 -1.544 0.193
172 HE21 GLN 24 1HE2 GLN 24 -8.961 -4.510 -1.478
173 HE22 GLN 24 2HE2 GLN 24 -10.239 -4.262 -2.614
174 H SER 25 H SER 25 -6.406 -1.302 -3.730
175 HA SER 25 HA SER 25 -3.592 -0.895 -3.992
176 HB2 SER 25 1HB SER 25 -5.000 -1.222 -5.965
177 HB3 SER 25 2HB SER 25 -5.898 0.248 -5.589
178 HG SER 25 HG SER 25 -3.522 1.111 -5.646
179 H SER 26 H SER 26 -6.344 1.292 -3.445
180 HA SER 26 HA SER 26 -5.194 3.732 -3.411
181 HB2 SER 26 1HB SER 26 -7.264 2.546 -1.579
182 HB3 SER 26 2HB SER 26 -6.744 4.220 -1.387
183 HG SER 26 HG SER 26 -7.456 3.354 -3.944
184 H SER 27 H SER 27 -4.922 1.302 -0.864
185 HA SER 27 HA SER 27 -3.540 2.911 0.999
186 HB2 SER 27 1HB SER 27 -4.676 0.562 1.273
187 HB3 SER 27 2HB SER 27 -3.081 -0.048 0.830
188 HG SER 27 HG SER 27 -3.419 0.239 3.124
189 H LEU 28 H LEU 28 -2.414 0.697 -1.528
190 HA LEU 28 HA LEU 28 0.330 0.865 -0.963
191 HB2 LEU 28 1HB LEU 28 -0.359 -0.872 -2.377
192 HB3 LEU 28 2HB LEU 28 -1.227 0.228 -3.446
193 HG LEU 28 HG LEU 28 0.925 1.109 -4.254
194 HD11 LEU 28 1HD1 LEU 28 2.865 -0.619 -3.626
195 HD12 LEU 28 2HD1 LEU 28 1.949 -0.659 -2.120
196 HD13 LEU 28 3HD1 LEU 28 2.577 0.872 -2.728
197 HD21 LEU 28 3HD2 LEU 28 -0.310 -0.966 -5.189
198 HD22 LEU 28 1HD2 LEU 28 1.045 -1.869 -4.512
199 HD23 LEU 28 2HD2 LEU 28 1.334 -0.627 -5.731
200 H THR 29 H THR 29 -1.713 2.759 -3.159
201 HA THR 29 HA THR 29 0.251 4.330 -4.338
202 HB THR 29 HB THR 29 -2.560 5.187 -3.623
203 HG1 THR 29 HG1 THR 29 -3.153 3.907 -5.192
204 HG21 THR 29 3HG2 THR 29 -0.710 6.887 -4.404
205 HG22 THR 29 1HG2 THR 29 -2.339 6.962 -5.073
206 HG23 THR 29 2HG2 THR 29 -1.044 6.191 -5.989
207 H VAL 30 H VAL 30 -1.805 5.235 -1.562
208 HA VAL 30 HA VAL 30 -0.560 7.620 -0.916
209 HB VAL 30 HB VAL 30 -2.665 6.865 0.112
210 HG11 VAL 30 1HG1 VAL 30 -2.401 5.348 2.156
211 HG12 VAL 30 2HG1 VAL 30 -2.352 4.589 0.564
212 HG13 VAL 30 3HG1 VAL 30 -0.854 4.880 1.450
213 HG21 VAL 30 3HG2 VAL 30 -1.552 7.283 2.619
214 HG22 VAL 30 1HG2 VAL 30 -0.431 8.068 1.507
215 HG23 VAL 30 2HG2 VAL 30 -2.135 8.521 1.507
216 H HIS 31 H HIS 31 0.485 4.358 -0.331
217 HA HIS 31 HA HIS 31 2.579 5.207 1.508
218 HB2 HIS 31 1HB HIS 31 1.803 3.175 2.255
219 HB3 HIS 31 2HB HIS 31 1.455 2.589 0.631
220 HD1 HIS 31 HD1 HIS 31 4.380 3.125 2.968
221 HD2 HIS 31 HD2 HIS 31 3.397 1.002 -0.465
222 HE1 HIS 31 HE1 HIS 31 6.323 1.584 2.551
223 H GLN 32 H GLN 32 2.127 4.616 -1.830
224 HA GLN 32 HA GLN 32 4.809 3.903 -2.486
225 HB2 GLN 32 1HB GLN 32 2.664 3.550 -3.874
226 HB3 GLN 32 2HB GLN 32 2.881 5.219 -4.382
227 HG2 GLN 32 1HG GLN 32 3.886 3.984 -6.068
228 HG3 GLN 32 2HG GLN 32 5.238 4.511 -5.067
229 HE21 GLN 32 1HE2 GLN 32 2.895 1.854 -4.845
230 HE22 GLN 32 2HE2 GLN 32 4.074 0.600 -4.700
231 H ARG 33 H ARG 33 3.373 6.798 -1.530
232 HA ARG 33 HA ARG 33 5.218 8.510 -2.987
233 HB2 ARG 33 1HB ARG 33 3.965 10.330 -2.208
234 HB3 ARG 33 2HB ARG 33 2.767 9.070 -2.466
235 HG2 ARG 33 1HG ARG 33 2.937 8.542 -0.019
236 HG3 ARG 33 2HG ARG 33 3.924 9.996 0.149
237 HD2 ARG 33 1HD ARG 33 1.177 10.015 -1.078
238 HD3 ARG 33 2HD ARG 33 1.455 10.249 0.647
239 HE ARG 33 HE ARG 33 2.334 12.344 0.206
240 HH11 ARG 33 1HH1 ARG 33 1.727 10.621 -2.758
241 HH12 ARG 33 2HH1 ARG 33 1.928 12.018 -3.764
242 HH21 ARG 33 1HH2 ARG 33 2.601 14.190 -1.108
243 HH22 ARG 33 2HH2 ARG 33 2.426 14.047 -2.824
244 H ILE 34 H ILE 34 5.229 6.729 -0.149
245 HA ILE 34 HA ILE 34 6.660 8.477 1.571
246 HB ILE 34 HB ILE 34 6.584 5.457 1.586
247 HG12 ILE 34 1HG1 ILE 34 4.370 5.988 1.936
248 HG13 ILE 34 2HG1 ILE 34 4.971 6.092 3.587
249 HG21 ILE 34 1HG2 ILE 34 6.954 6.833 4.123
250 HG22 ILE 34 2HG2 ILE 34 7.835 5.470 3.434
251 HG23 ILE 34 3HG2 ILE 34 8.270 7.119 2.985
252 HD11 ILE 34 3HD1 ILE 34 5.304 8.573 3.125
253 HD12 ILE 34 1HD1 ILE 34 4.302 8.316 1.697
254 HD13 ILE 34 2HD1 ILE 34 3.649 7.990 3.303
255 H HIS 35 H HIS 35 7.664 5.900 -0.651
256 HA HIS 35 HA HIS 35 10.439 6.131 -0.066
257 HB2 HIS 35 1HB HIS 35 9.277 5.048 -2.629
258 HB3 HIS 35 2HB HIS 35 10.792 4.602 -1.850
259 HD1 HIS 35 HD1 HIS 35 9.942 3.888 0.935
260 HD2 HIS 35 HD2 HIS 35 7.715 2.854 -2.417
261 HE1 HIS 35 HE1 HIS 35 8.537 1.926 1.641
262 H THR 36 H THR 36 8.267 7.875 -2.091
263 HA THR 36 HA THR 36 10.330 8.980 -3.789
264 HB THR 36 HB THR 36 8.615 10.189 -4.899
265 HG1 THR 36 HG1 THR 36 6.965 9.574 -2.654
266 HG21 THR 36 3HG2 THR 36 6.891 7.901 -4.250
267 HG22 THR 36 1HG2 THR 36 8.542 7.474 -4.694
268 HG23 THR 36 2HG2 THR 36 7.548 8.421 -5.801
269 H GLY 37 H GLY 37 10.822 9.412 -1.042
270 HA2 GLY 37 1HA GLY 37 11.466 12.136 -1.023
271 HA3 GLY 37 2HA GLY 37 9.972 11.936 -0.120
272 H GLU 38 H GLU 38 10.558 9.378 0.988
273 HA GLU 38 HA GLU 38 12.276 10.233 3.151
274 HB2 GLU 38 1HB GLU 38 10.722 7.672 2.743
275 HB3 GLU 38 2HB GLU 38 11.593 8.098 4.210
276 HG2 GLU 38 1HG GLU 38 9.408 9.819 3.089
277 HG3 GLU 38 2HG GLU 38 9.090 8.485 4.196
278 H LYS 39 H LYS 39 14.172 9.232 3.819
279 HA LYS 39 HA LYS 39 16.276 8.433 3.390
280 HB2 LYS 39 1HB LYS 39 14.361 6.203 2.933
281 HB3 LYS 39 2HB LYS 39 16.034 5.937 2.461
282 HG2 LYS 39 1HG LYS 39 16.733 6.553 4.754
283 HG3 LYS 39 2HG LYS 39 15.030 6.675 5.202
284 HD2 LYS 39 1HD LYS 39 15.986 4.168 3.910
285 HD3 LYS 39 2HD LYS 39 16.401 4.455 5.601
286 HE2 LYS 39 1HE LYS 39 14.035 4.746 6.134
287 HE3 LYS 39 2HE LYS 39 13.615 4.483 4.443
288 HZ1 LYS 39 3HZ LYS 39 14.514 2.249 4.600
289 HZ2 LYS 39 1HZ LYS 39 13.305 2.481 5.761
290 HZ3 LYS 39 2HZ LYS 39 14.932 2.501 6.220
291 HA PRO 40 HA PRO 40 15.814 9.163 -1.262
292 HB2 PRO 40 1HB PRO 40 16.855 11.669 -1.308
293 HB3 PRO 40 2HB PRO 40 15.130 11.349 -1.091
294 HG2 PRO 40 1HG PRO 40 17.214 11.976 0.966
295 HG3 PRO 40 2HG PRO 40 15.557 12.592 0.828
296 HD2 PRO 40 1HD PRO 40 16.238 10.614 2.547
297 HD3 PRO 40 2HD PRO 40 14.641 10.701 1.776
298 H SER 41 H SER 41 17.470 7.569 -1.389
299 HA SER 41 HA SER 41 20.214 8.428 -0.902
300 HB2 SER 41 1HB SER 41 19.055 5.755 -1.720
301 HB3 SER 41 2HB SER 41 20.776 6.057 -1.480
302 HG SER 41 HG SER 41 19.556 5.176 0.366
303 H GLY 42 H GLY 42 21.770 7.380 -2.697
304 HA2 GLY 42 1HA GLY 42 21.350 8.964 -5.028
305 HA3 GLY 42 2HA GLY 42 22.665 7.827 -4.770
306 HA PRO 43 HA PRO 43 18.897 5.985 -7.253
307 HB2 PRO 43 1HB PRO 43 18.672 7.460 -9.521
308 HB3 PRO 43 2HB PRO 43 17.722 7.784 -8.067
309 HG2 PRO 43 1HG PRO 43 20.209 9.134 -9.044
310 HG3 PRO 43 2HG PRO 43 18.742 9.854 -8.353
311 HD2 PRO 43 1HD PRO 43 21.003 9.484 -6.909
312 HD3 PRO 43 2HD PRO 43 19.384 9.391 -6.188
313 H SER 44 H SER 44 22.083 6.729 -7.614
314 HA SER 44 HA SER 44 23.041 6.204 -10.041
315 HB2 SER 44 1HB SER 44 24.509 6.369 -8.107
316 HB3 SER 44 2HB SER 44 23.943 4.809 -7.509
317 HG SER 44 HG SER 44 25.996 5.141 -8.981
318 H SER 45 H SER 45 21.940 3.608 -7.862
319 HA SER 45 HA SER 45 22.352 1.401 -9.392
320 HB2 SER 45 1HB SER 45 20.185 2.139 -7.467
321 HB3 SER 45 2HB SER 45 20.027 0.641 -8.384
322 HG SER 45 HG SER 45 22.431 0.516 -7.559
323 H GLY 46 H GLY 46 21.232 0.256 -10.986
324 HA2 GLY 46 1HA GLY 46 18.957 1.570 -12.273
325 HA3 GLY 46 2HA GLY 46 20.408 1.343 -13.238
Start of MODEL 15
1 H1 GLY 1 H GLY 1 12.537 -28.165 -5.068
2 HA2 GLY 1 1HA GLY 1 12.444 -25.309 -5.810
3 HA3 GLY 1 2HA GLY 1 11.576 -26.584 -6.652
4 H SER 2 H SER 2 9.470 -26.494 -6.305
5 HA SER 2 HA SER 2 7.484 -25.814 -5.351
6 HB2 SER 2 1HB SER 2 8.833 -27.706 -3.470
7 HB3 SER 2 2HB SER 2 7.316 -26.959 -2.971
8 HG SER 2 HG SER 2 7.695 -28.368 -5.406
9 H SER 3 H SER 3 9.317 -23.746 -5.137
10 HA SER 3 HA SER 3 8.982 -22.736 -2.400
11 HB2 SER 3 1HB SER 3 10.832 -21.918 -4.644
12 HB3 SER 3 2HB SER 3 10.640 -20.971 -3.168
13 HG SER 3 HG SER 3 12.158 -22.260 -2.473
14 H GLY 4 H GLY 4 8.692 -21.645 -5.782
15 HA2 GLY 4 1HA GLY 4 6.227 -20.632 -5.873
16 HA3 GLY 4 2HA GLY 4 7.054 -19.389 -4.945
17 H SER 5 H SER 5 6.953 -21.056 -8.043
18 HA SER 5 HA SER 5 8.942 -19.726 -9.417
19 HB2 SER 5 1HB SER 5 6.244 -20.522 -10.536
20 HB3 SER 5 2HB SER 5 7.725 -20.266 -11.458
21 HG SER 5 HG SER 5 7.696 -22.409 -11.147
22 H SER 6 H SER 6 5.488 -18.825 -9.410
23 HA SER 6 HA SER 6 6.313 -16.016 -9.706
24 HB2 SER 6 1HB SER 6 4.465 -15.638 -11.273
25 HB3 SER 6 2HB SER 6 5.563 -16.869 -11.896
26 HG SER 6 HG SER 6 3.206 -17.483 -10.449
27 H GLY 7 H GLY 7 5.079 -14.505 -8.630
28 HA2 GLY 7 1HA GLY 7 3.237 -15.623 -6.635
29 HA3 GLY 7 2HA GLY 7 4.051 -14.069 -6.526
30 H ALA 8 H ALA 8 1.331 -15.805 -7.822
31 HA ALA 8 HA ALA 8 -0.027 -13.257 -8.276
32 HB1 ALA 8 3HB ALA 8 -0.888 -13.957 -10.442
33 HB2 ALA 8 1HB ALA 8 0.875 -13.904 -10.458
34 HB3 ALA 8 2HB ALA 8 0.040 -15.453 -10.342
35 H GLY 9 H GLY 9 -2.424 -13.673 -8.761
36 HA2 GLY 9 1HA GLY 9 -4.288 -15.214 -8.511
37 HA3 GLY 9 2HA GLY 9 -3.353 -16.051 -7.280
38 H LYS 10 H LYS 10 -3.009 -14.976 -5.236
39 HA LYS 10 HA LYS 10 -5.371 -13.574 -4.379
40 HB2 LYS 10 1HB LYS 10 -4.312 -13.675 -2.136
41 HB3 LYS 10 2HB LYS 10 -4.429 -15.247 -2.915
42 HG2 LYS 10 1HG LYS 10 -2.063 -15.050 -3.590
43 HG3 LYS 10 2HG LYS 10 -1.967 -13.528 -2.702
44 HD2 LYS 10 1HD LYS 10 -2.988 -15.922 -1.265
45 HD3 LYS 10 2HD LYS 10 -1.258 -15.837 -1.608
46 HE2 LYS 10 1HE LYS 10 -1.286 -14.771 0.405
47 HE3 LYS 10 2HE LYS 10 -1.568 -13.387 -0.649
48 HZ1 LYS 10 3HZ LYS 10 -3.474 -14.817 1.078
49 HZ2 LYS 10 1HZ LYS 10 -4.038 -13.983 -0.281
50 HZ3 LYS 10 2HZ LYS 10 -3.203 -13.154 0.934
51 H LYS 11 H LYS 11 -2.070 -12.770 -5.147
52 HA LYS 11 HA LYS 11 -2.147 -10.163 -3.939
53 HB2 LYS 11 1HB LYS 11 -0.104 -11.738 -4.577
54 HB3 LYS 11 2HB LYS 11 -0.187 -10.835 -6.084
55 HG2 LYS 11 1HG LYS 11 -0.086 -9.432 -3.440
56 HG3 LYS 11 2HG LYS 11 1.383 -9.997 -4.241
57 HD2 LYS 11 1HD LYS 11 -0.657 -8.211 -5.558
58 HD3 LYS 11 2HD LYS 11 0.766 -7.607 -4.707
59 HE2 LYS 11 1HE LYS 11 2.220 -8.804 -6.236
60 HE3 LYS 11 2HE LYS 11 0.823 -9.506 -7.051
61 HZ1 LYS 11 3HZ LYS 11 1.155 -6.579 -6.875
62 HZ2 LYS 11 1HZ LYS 11 0.249 -7.480 -7.984
63 HZ3 LYS 11 2HZ LYS 11 1.937 -7.466 -8.085
64 H LEU 12 H LEU 12 -2.600 -8.230 -4.867
65 HA LEU 12 HA LEU 12 -3.418 -8.261 -7.698
66 HB2 LEU 12 1HB LEU 12 -4.827 -6.191 -6.699
67 HB3 LEU 12 2HB LEU 12 -5.451 -7.832 -6.859
68 HG LEU 12 HG LEU 12 -6.017 -6.866 -4.693
69 HD11 LEU 12 1HD1 LEU 12 -4.805 -9.350 -5.160
70 HD12 LEU 12 2HD1 LEU 12 -5.888 -8.908 -3.840
71 HD13 LEU 12 3HD1 LEU 12 -4.142 -8.760 -3.636
72 HD21 LEU 12 3HD2 LEU 12 -3.234 -6.953 -3.717
73 HD22 LEU 12 1HD2 LEU 12 -4.558 -5.869 -3.289
74 HD23 LEU 12 2HD2 LEU 12 -3.646 -5.603 -4.775
75 H PHE 13 H PHE 13 -1.978 -6.411 -5.071
76 HA PHE 13 HA PHE 13 -0.622 -4.751 -7.076
77 HB2 PHE 13 1HB PHE 13 -1.508 -3.506 -4.500
78 HB3 PHE 13 2HB PHE 13 -1.137 -2.737 -6.039
79 HD1 PHE 13 HD2 PHE 13 -2.778 -3.941 -7.983
80 HD2 PHE 13 HD1 PHE 13 -3.686 -3.159 -3.899
81 HE1 PHE 13 HE2 PHE 13 -5.176 -3.883 -8.531
82 HE2 PHE 13 HE1 PHE 13 -6.085 -3.101 -4.440
83 HZ PHE 13 HZ PHE 13 -6.833 -3.462 -6.759
84 H LYS 14 H LYS 14 1.498 -4.404 -6.697
85 HA LYS 14 HA LYS 14 2.578 -5.102 -4.056
86 HB2 LYS 14 1HB LYS 14 2.785 -6.907 -5.962
87 HB3 LYS 14 2HB LYS 14 4.097 -5.874 -6.515
88 HG2 LYS 14 1HG LYS 14 4.043 -6.700 -3.659
89 HG3 LYS 14 2HG LYS 14 4.536 -7.876 -4.879
90 HD2 LYS 14 1HD LYS 14 5.742 -5.152 -4.946
91 HD3 LYS 14 2HD LYS 14 6.294 -6.293 -3.718
92 HE2 LYS 14 1HE LYS 14 6.201 -6.899 -6.669
93 HE3 LYS 14 2HE LYS 14 7.632 -6.302 -5.831
94 HZ1 LYS 14 3HZ LYS 14 6.577 -8.948 -5.941
95 HZ2 LYS 14 1HZ LYS 14 6.792 -8.438 -4.342
96 HZ3 LYS 14 2HZ LYS 14 8.097 -8.419 -5.418
97 H CYS 15 H CYS 15 4.459 -4.011 -3.452
98 HA CYS 15 HA CYS 15 4.938 -1.549 -4.955
99 HB2 CYS 15 1HB CYS 15 4.426 -1.423 -2.524
100 HB3 CYS 15 2HB CYS 15 5.900 -2.328 -2.194
101 H ASN 16 H ASN 16 6.534 -1.552 -6.383
102 HA ASN 16 HA ASN 16 8.678 -3.479 -6.240
103 HB2 ASN 16 1HB ASN 16 7.514 -2.634 -8.372
104 HB3 ASN 16 2HB ASN 16 8.504 -1.188 -8.189
105 HD21 ASN 16 1HD2 ASN 16 10.419 -1.199 -9.118
106 HD22 ASN 16 2HD2 ASN 16 11.282 -2.600 -9.645
107 H GLU 17 H GLU 17 8.658 -1.740 -4.030
108 HA GLU 17 HA GLU 17 11.248 -0.410 -4.415
109 HB2 GLU 17 1HB GLU 17 9.098 0.800 -2.691
110 HB3 GLU 17 2HB GLU 17 10.587 1.541 -3.258
111 HG2 GLU 17 1HG GLU 17 9.494 1.098 -5.618
112 HG3 GLU 17 2HG GLU 17 8.010 1.136 -4.668
113 H CYS 18 H CYS 18 8.881 -1.727 -2.142
114 HA CYS 18 HA CYS 18 11.113 -2.557 -0.419
115 HB2 CYS 18 1HB CYS 18 9.837 -2.013 1.577
116 HB3 CYS 18 2HB CYS 18 10.012 -0.575 0.576
117 H LYS 19 H LYS 19 9.171 -3.780 -2.462
118 HA LYS 19 HA LYS 19 7.919 -5.673 -2.732
119 HB2 LYS 19 1HB LYS 19 9.575 -6.783 -0.471
120 HB3 LYS 19 2HB LYS 19 8.907 -7.645 -1.851
121 HG2 LYS 19 1HG LYS 19 11.116 -5.600 -1.943
122 HG3 LYS 19 2HG LYS 19 11.306 -7.350 -2.079
123 HD2 LYS 19 1HD LYS 19 9.795 -7.247 -4.090
124 HD3 LYS 19 2HD LYS 19 9.918 -5.489 -4.000
125 HE2 LYS 19 1HE LYS 19 12.321 -7.292 -4.170
126 HE3 LYS 19 2HE LYS 19 11.507 -6.648 -5.595
127 HZ1 LYS 19 3HZ LYS 19 13.248 -5.172 -5.144
128 HZ2 LYS 19 1HZ LYS 19 12.941 -5.157 -3.480
129 HZ3 LYS 19 2HZ LYS 19 11.872 -4.392 -4.545
130 H LYS 20 H LYS 20 6.374 -4.021 -1.409
131 HA LYS 20 HA LYS 20 5.211 -5.633 0.767
132 HB2 LYS 20 1HB LYS 20 6.113 -3.596 1.704
133 HB3 LYS 20 2HB LYS 20 5.301 -2.626 0.483
134 HG2 LYS 20 1HG LYS 20 3.198 -2.973 1.436
135 HG3 LYS 20 2HG LYS 20 3.759 -4.348 2.389
136 HD2 LYS 20 1HD LYS 20 4.839 -1.574 2.803
137 HD3 LYS 20 2HD LYS 20 3.381 -2.142 3.621
138 HE2 LYS 20 1HE LYS 20 4.554 -3.793 4.801
139 HE3 LYS 20 2HE LYS 20 5.948 -3.694 3.727
140 HZ1 LYS 20 3HZ LYS 20 5.302 -2.115 6.047
141 HZ2 LYS 20 1HZ LYS 20 5.793 -1.192 4.716
142 HZ3 LYS 20 2HZ LYS 20 6.801 -2.408 5.321
143 H THR 21 H THR 21 2.933 -5.697 0.906
144 HA THR 21 HA THR 21 1.530 -4.820 -1.534
145 HB THR 21 HB THR 21 0.029 -6.847 -1.152
146 HG1 THR 21 HG1 THR 21 2.160 -8.135 0.084
147 HG21 THR 21 3HG2 THR 21 1.368 -8.232 -2.506
148 HG22 THR 21 1HG2 THR 21 2.864 -7.592 -1.828
149 HG23 THR 21 2HG2 THR 21 1.880 -6.590 -2.895
150 H PHE 22 H PHE 22 -0.765 -4.431 -1.284
151 HA PHE 22 HA PHE 22 -1.618 -3.920 1.479
152 HB2 PHE 22 1HB PHE 22 -1.604 -1.982 -0.823
153 HB3 PHE 22 2HB PHE 22 -2.728 -1.795 0.519
154 HD1 PHE 22 HD1 PHE 22 0.885 -2.084 -0.275
155 HD2 PHE 22 HD2 PHE 22 -2.067 -0.722 2.472
156 HE1 PHE 22 HE1 PHE 22 2.627 -0.919 1.014
157 HE2 PHE 22 HE2 PHE 22 -0.330 0.446 3.765
158 HZ PHE 22 HZ PHE 22 2.021 0.349 3.036
159 H THR 23 H THR 23 -3.595 -4.656 1.913
160 HA THR 23 HA THR 23 -5.077 -6.355 0.500
161 HB THR 23 HB THR 23 -6.315 -4.129 2.132
162 HG1 THR 23 HG1 THR 23 -5.752 -6.717 3.100
163 HG21 THR 23 3HG2 THR 23 -7.584 -6.034 0.599
164 HG22 THR 23 1HG2 THR 23 -8.287 -5.184 1.975
165 HG23 THR 23 2HG2 THR 23 -7.551 -6.771 2.201
166 H GLN 24 H GLN 24 -5.065 -2.876 0.009
167 HA GLN 24 HA GLN 24 -6.626 -3.288 -2.449
168 HB2 GLN 24 1HB GLN 24 -6.912 -1.010 -0.484
169 HB3 GLN 24 2HB GLN 24 -7.669 -1.057 -2.071
170 HG2 GLN 24 1HG GLN 24 -9.398 -1.814 -0.821
171 HG3 GLN 24 2HG GLN 24 -8.605 -3.352 -1.161
172 HE21 GLN 24 1HE2 GLN 24 -10.152 -3.511 0.887
173 HE22 GLN 24 2HE2 GLN 24 -9.306 -3.437 2.391
174 H SER 25 H SER 25 -6.459 -1.157 -3.827
175 HA SER 25 HA SER 25 -3.638 -0.786 -4.320
176 HB2 SER 25 1HB SER 25 -5.356 -1.106 -6.142
177 HB3 SER 25 2HB SER 25 -5.953 0.511 -5.771
178 HG SER 25 HG SER 25 -3.720 -0.257 -7.152
179 H SER 26 H SER 26 -6.400 1.376 -3.688
180 HA SER 26 HA SER 26 -5.196 3.805 -3.609
181 HB2 SER 26 1HB SER 26 -6.895 4.521 -2.025
182 HB3 SER 26 2HB SER 26 -7.612 3.394 -3.176
183 HG SER 26 HG SER 26 -8.248 2.429 -1.411
184 H SER 27 H SER 27 -5.173 1.391 -1.017
185 HA SER 27 HA SER 27 -3.799 2.946 0.886
186 HB2 SER 27 1HB SER 27 -3.890 -0.062 0.553
187 HB3 SER 27 2HB SER 27 -3.297 0.779 1.986
188 HG SER 27 HG SER 27 -5.281 1.068 2.602
189 H LEU 28 H LEU 28 -2.662 0.723 -1.617
190 HA LEU 28 HA LEU 28 0.046 0.678 -0.924
191 HB2 LEU 28 1HB LEU 28 -0.650 -0.909 -2.487
192 HB3 LEU 28 2HB LEU 28 -1.429 0.302 -3.504
193 HG LEU 28 HG LEU 28 0.828 1.144 -4.127
194 HD11 LEU 28 1HD1 LEU 28 2.777 0.193 -3.418
195 HD12 LEU 28 2HD1 LEU 28 2.029 -1.371 -3.096
196 HD13 LEU 28 3HD1 LEU 28 1.792 -0.032 -1.972
197 HD21 LEU 28 3HD2 LEU 28 0.872 -0.256 -5.882
198 HD22 LEU 28 1HD2 LEU 28 -0.583 -0.937 -5.152
199 HD23 LEU 28 2HD2 LEU 28 0.985 -1.693 -4.863
200 H THR 29 H THR 29 -1.673 2.790 -3.215
201 HA THR 29 HA THR 29 0.453 4.303 -4.119
202 HB THR 29 HB THR 29 -2.367 5.251 -3.574
203 HG1 THR 29 HG1 THR 29 -1.106 3.941 -5.737
204 HG21 THR 29 3HG2 THR 29 -1.632 6.790 -5.586
205 HG22 THR 29 1HG2 THR 29 -0.025 6.516 -4.916
206 HG23 THR 29 2HG2 THR 29 -1.284 7.247 -3.919
207 H VAL 30 H VAL 30 -1.765 5.265 -1.488
208 HA VAL 30 HA VAL 30 -0.465 7.506 -0.601
209 HB VAL 30 HB VAL 30 -2.635 6.708 0.283
210 HG11 VAL 30 1HG1 VAL 30 -2.275 5.139 2.375
211 HG12 VAL 30 2HG1 VAL 30 -2.512 4.475 0.757
212 HG13 VAL 30 3HG1 VAL 30 -0.887 4.595 1.433
213 HG21 VAL 30 3HG2 VAL 30 -1.662 7.044 2.845
214 HG22 VAL 30 1HG2 VAL 30 -0.451 7.832 1.834
215 HG23 VAL 30 2HG2 VAL 30 -2.140 8.329 1.736
216 H HIS 31 H HIS 31 0.480 4.189 -0.194
217 HA HIS 31 HA HIS 31 2.437 4.770 1.855
218 HB2 HIS 31 1HB HIS 31 1.717 2.620 2.176
219 HB3 HIS 31 2HB HIS 31 1.457 2.336 0.457
220 HD1 HIS 31 HD1 HIS 31 4.300 2.552 2.955
221 HD2 HIS 31 HD2 HIS 31 3.444 0.931 -0.773
222 HE1 HIS 31 HE1 HIS 31 6.286 1.123 2.371
223 H GLN 32 H GLN 32 2.415 4.026 -1.602
224 HA GLN 32 HA GLN 32 5.183 3.855 -1.985
225 HB2 GLN 32 1HB GLN 32 3.208 3.324 -3.597
226 HB3 GLN 32 2HB GLN 32 3.363 5.010 -4.071
227 HG2 GLN 32 1HG GLN 32 5.255 4.652 -5.216
228 HG3 GLN 32 2HG GLN 32 5.877 3.502 -4.034
229 HE21 GLN 32 1HE2 GLN 32 4.269 1.475 -3.972
230 HE22 GLN 32 2HE2 GLN 32 4.035 0.752 -5.523
231 H ARG 33 H ARG 33 3.087 6.590 -1.576
232 HA ARG 33 HA ARG 33 4.622 8.608 -2.739
233 HB2 ARG 33 1HB ARG 33 2.854 8.751 -0.290
234 HB3 ARG 33 2HB ARG 33 3.446 10.139 -1.192
235 HG2 ARG 33 1HG ARG 33 2.137 9.606 -3.074
236 HG3 ARG 33 2HG ARG 33 1.785 7.987 -2.465
237 HD2 ARG 33 1HD ARG 33 -0.174 9.197 -2.059
238 HD3 ARG 33 2HD ARG 33 0.652 9.170 -0.502
239 HE ARG 33 HE ARG 33 1.199 11.490 -2.136
240 HH11 ARG 33 1HH1 ARG 33 -0.805 10.084 0.339
241 HH12 ARG 33 2HH1 ARG 33 -1.315 11.612 0.977
242 HH21 ARG 33 1HH2 ARG 33 0.534 13.508 -1.306
243 HH22 ARG 33 2HH2 ARG 33 -0.554 13.559 0.040
244 H ILE 34 H ILE 34 4.941 6.973 0.338
245 HA ILE 34 HA ILE 34 6.665 8.749 1.639
246 HB ILE 34 HB ILE 34 6.316 5.771 1.850
247 HG12 ILE 34 1HG1 ILE 34 5.452 6.441 4.115
248 HG13 ILE 34 2HG1 ILE 34 5.629 8.122 3.623
249 HG21 ILE 34 1HG2 ILE 34 7.773 5.797 3.814
250 HG22 ILE 34 2HG2 ILE 34 8.652 6.248 2.354
251 HG23 ILE 34 3HG2 ILE 34 8.159 7.489 3.506
252 HD11 ILE 34 3HD1 ILE 34 3.880 6.091 2.258
253 HD12 ILE 34 1HD1 ILE 34 3.330 7.314 3.403
254 HD13 ILE 34 2HD1 ILE 34 4.015 7.802 1.853
255 H HIS 35 H HIS 35 7.318 6.176 -0.683
256 HA HIS 35 HA HIS 35 10.163 6.363 -0.462
257 HB2 HIS 35 1HB HIS 35 8.629 5.217 -2.793
258 HB3 HIS 35 2HB HIS 35 10.253 4.798 -2.256
259 HD1 HIS 35 HD1 HIS 35 9.913 4.108 0.618
260 HD2 HIS 35 HD2 HIS 35 7.092 3.068 -2.250
261 HE1 HIS 35 HE1 HIS 35 8.643 2.170 1.596
262 H THR 36 H THR 36 7.710 7.891 -2.418
263 HA THR 36 HA THR 36 9.435 8.942 -4.412
264 HB THR 36 HB THR 36 7.604 10.315 -5.104
265 HG1 THR 36 HG1 THR 36 6.445 11.210 -3.584
266 HG21 THR 36 3HG2 THR 36 6.683 8.446 -5.896
267 HG22 THR 36 1HG2 THR 36 5.706 8.365 -4.431
268 HG23 THR 36 2HG2 THR 36 7.252 7.520 -4.507
269 H GLY 37 H GLY 37 7.890 10.490 -1.587
270 HA2 GLY 37 1HA GLY 37 9.992 11.837 -0.538
271 HA3 GLY 37 2HA GLY 37 9.519 12.855 -1.890
272 H GLU 38 H GLU 38 7.973 11.117 0.816
273 HA GLU 38 HA GLU 38 6.515 13.585 1.448
274 HB2 GLU 38 1HB GLU 38 5.362 10.863 0.940
275 HB3 GLU 38 2HB GLU 38 4.558 11.969 2.044
276 HG2 GLU 38 1HG GLU 38 5.270 12.714 -0.776
277 HG3 GLU 38 2HG GLU 38 3.736 11.965 -0.336
278 H LYS 39 H LYS 39 5.727 13.690 3.643
279 HA LYS 39 HA LYS 39 7.443 13.314 5.633
280 HB2 LYS 39 1HB LYS 39 5.461 12.969 7.190
281 HB3 LYS 39 2HB LYS 39 5.405 14.390 6.155
282 HG2 LYS 39 1HG LYS 39 3.674 13.592 4.911
283 HG3 LYS 39 2HG LYS 39 4.123 11.904 5.165
284 HD2 LYS 39 1HD LYS 39 2.270 12.001 6.493
285 HD3 LYS 39 2HD LYS 39 3.490 12.495 7.669
286 HE2 LYS 39 1HE LYS 39 2.973 14.845 7.202
287 HE3 LYS 39 2HE LYS 39 1.749 14.343 6.038
288 HZ1 LYS 39 3HZ LYS 39 0.698 14.870 8.106
289 HZ2 LYS 39 1HZ LYS 39 1.726 13.834 8.962
290 HZ3 LYS 39 2HZ LYS 39 0.598 13.197 7.875
291 HA PRO 40 HA PRO 40 7.916 8.800 5.381
292 HB2 PRO 40 1HB PRO 40 10.382 8.791 6.517
293 HB3 PRO 40 2HB PRO 40 10.115 9.131 4.804
294 HG2 PRO 40 1HG PRO 40 10.558 11.039 7.067
295 HG3 PRO 40 2HG PRO 40 11.241 11.067 5.431
296 HD2 PRO 40 1HD PRO 40 9.154 12.627 6.165
297 HD3 PRO 40 2HD PRO 40 9.339 11.993 4.517
298 H SER 41 H SER 41 7.652 11.005 7.940
299 HA SER 41 HA SER 41 7.858 8.936 10.000
300 HB2 SER 41 1HB SER 41 7.658 10.812 11.600
301 HB3 SER 41 2HB SER 41 8.989 11.052 10.469
302 HG SER 41 HG SER 41 6.993 12.164 9.292
303 H GLY 42 H GLY 42 6.135 9.176 11.799
304 HA2 GLY 42 1HA GLY 42 3.507 9.181 10.461
305 HA3 GLY 42 2HA GLY 42 3.910 8.230 11.883
306 HA PRO 43 HA PRO 43 2.191 12.639 12.838
307 HB2 PRO 43 1HB PRO 43 -0.490 12.226 12.739
308 HB3 PRO 43 2HB PRO 43 0.445 12.803 11.354
309 HG2 PRO 43 1HG PRO 43 -0.512 10.035 11.971
310 HG3 PRO 43 2HG PRO 43 -0.523 10.904 10.425
311 HD2 PRO 43 1HD PRO 43 1.353 9.052 11.041
312 HD3 PRO 43 2HD PRO 43 1.701 10.458 10.015
313 H SER 44 H SER 44 0.960 13.192 14.787
314 HA SER 44 HA SER 44 1.498 11.428 16.916
315 HB2 SER 44 1HB SER 44 -0.024 14.002 16.662
316 HB3 SER 44 2HB SER 44 -0.090 13.088 18.169
317 HG SER 44 HG SER 44 2.443 13.399 17.156
318 H SER 45 H SER 45 0.503 9.504 17.005
319 HA SER 45 HA SER 45 -2.268 9.383 17.660
320 HB2 SER 45 1HB SER 45 -2.586 9.573 15.266
321 HB3 SER 45 2HB SER 45 -1.405 8.297 14.969
322 HG SER 45 HG SER 45 -3.783 7.771 14.990
323 H GLY 46 H GLY 46 -2.985 7.118 18.053
324 HA2 GLY 46 1HA GLY 46 -0.899 5.684 19.409
325 HA3 GLY 46 2HA GLY 46 -2.593 5.226 19.320
Start of MODEL 16
1 H1 GLY 1 H GLY 1 17.343 -22.304 -17.529
2 HA2 GLY 1 1HA GLY 1 15.704 -20.388 -18.953
3 HA3 GLY 1 2HA GLY 1 14.814 -21.747 -18.282
4 H SER 2 H SER 2 13.667 -20.243 -16.959
5 HA SER 2 HA SER 2 15.175 -18.817 -14.922
6 HB2 SER 2 1HB SER 2 12.360 -18.797 -15.893
7 HB3 SER 2 2HB SER 2 12.642 -18.325 -14.218
8 HG SER 2 HG SER 2 12.736 -16.566 -15.740
9 H SER 3 H SER 3 15.951 -20.152 -13.390
10 HA SER 3 HA SER 3 14.927 -22.554 -12.515
11 HB2 SER 3 1HB SER 3 16.360 -22.360 -10.617
12 HB3 SER 3 2HB SER 3 17.174 -21.519 -11.936
13 HG SER 3 HG SER 3 16.885 -19.657 -10.949
14 H GLY 4 H GLY 4 14.227 -19.302 -11.284
15 HA2 GLY 4 1HA GLY 4 12.038 -20.472 -9.683
16 HA3 GLY 4 2HA GLY 4 12.873 -18.981 -9.276
17 H SER 5 H SER 5 10.011 -19.476 -9.656
18 HA SER 5 HA SER 5 9.527 -17.621 -11.895
19 HB2 SER 5 1HB SER 5 7.275 -18.649 -12.091
20 HB3 SER 5 2HB SER 5 8.571 -19.807 -12.388
21 HG SER 5 HG SER 5 7.785 -20.941 -10.819
22 H SER 6 H SER 6 8.202 -15.880 -11.556
23 HA SER 6 HA SER 6 7.870 -15.043 -8.828
24 HB2 SER 6 1HB SER 6 7.293 -13.784 -11.500
25 HB3 SER 6 2HB SER 6 6.735 -13.033 -10.005
26 HG SER 6 HG SER 6 9.296 -13.273 -11.026
27 H GLY 7 H GLY 7 6.201 -15.558 -7.589
28 HA2 GLY 7 1HA GLY 7 3.975 -17.002 -8.316
29 HA3 GLY 7 2HA GLY 7 4.039 -15.950 -6.909
30 H ALA 8 H ALA 8 3.154 -13.885 -7.014
31 HA ALA 8 HA ALA 8 1.604 -12.336 -7.634
32 HB1 ALA 8 3HB ALA 8 1.619 -11.830 -10.173
33 HB2 ALA 8 1HB ALA 8 3.069 -11.504 -9.222
34 HB3 ALA 8 2HB ALA 8 2.976 -12.956 -10.219
35 H GLY 9 H GLY 9 0.551 -14.867 -7.194
36 HA2 GLY 9 1HA GLY 9 -1.345 -15.336 -9.381
37 HA3 GLY 9 2HA GLY 9 -1.059 -16.404 -8.015
38 H LYS 10 H LYS 10 -1.540 -15.152 -5.823
39 HA LYS 10 HA LYS 10 -4.350 -14.513 -5.956
40 HB2 LYS 10 1HB LYS 10 -4.218 -14.446 -3.498
41 HB3 LYS 10 2HB LYS 10 -3.528 -15.926 -4.151
42 HG2 LYS 10 1HG LYS 10 -1.292 -14.538 -4.016
43 HG3 LYS 10 2HG LYS 10 -2.197 -13.647 -2.790
44 HD2 LYS 10 1HD LYS 10 -2.507 -15.598 -1.476
45 HD3 LYS 10 2HD LYS 10 -1.949 -16.648 -2.781
46 HE2 LYS 10 1HE LYS 10 0.287 -15.579 -2.604
47 HE3 LYS 10 2HE LYS 10 -0.297 -14.673 -1.209
48 HZ1 LYS 10 3HZ LYS 10 0.795 -17.221 -1.230
49 HZ2 LYS 10 1HZ LYS 10 -0.845 -17.420 -0.864
50 HZ3 LYS 10 2HZ LYS 10 0.117 -16.403 0.086
51 H LYS 11 H LYS 11 -1.374 -12.834 -4.997
52 HA LYS 11 HA LYS 11 -2.499 -10.424 -4.176
53 HB2 LYS 11 1HB LYS 11 -0.039 -11.269 -4.095
54 HB3 LYS 11 2HB LYS 11 0.100 -10.509 -5.675
55 HG2 LYS 11 1HG LYS 11 0.873 -8.966 -4.033
56 HG3 LYS 11 2HG LYS 11 -0.674 -8.380 -4.650
57 HD2 LYS 11 1HD LYS 11 -0.699 -8.113 -2.279
58 HD3 LYS 11 2HD LYS 11 -1.769 -9.461 -2.670
59 HE2 LYS 11 1HE LYS 11 0.157 -10.998 -2.185
60 HE3 LYS 11 2HE LYS 11 1.038 -9.594 -1.583
61 HZ1 LYS 11 3HZ LYS 11 -1.616 -10.365 -0.524
62 HZ2 LYS 11 1HZ LYS 11 -0.481 -9.314 0.162
63 HZ3 LYS 11 2HZ LYS 11 -0.176 -10.978 0.119
64 H LEU 12 H LEU 12 -2.600 -8.361 -5.262
65 HA LEU 12 HA LEU 12 -3.117 -8.619 -8.152
66 HB2 LEU 12 1HB LEU 12 -4.585 -6.466 -7.478
67 HB3 LEU 12 2HB LEU 12 -5.214 -8.111 -7.541
68 HG LEU 12 HG LEU 12 -5.949 -6.911 -5.534
69 HD11 LEU 12 1HD1 LEU 12 -4.284 -8.761 -4.129
70 HD12 LEU 12 2HD1 LEU 12 -4.780 -9.467 -5.667
71 HD13 LEU 12 3HD1 LEU 12 -5.997 -8.885 -4.531
72 HD21 LEU 12 3HD2 LEU 12 -3.353 -7.013 -4.197
73 HD22 LEU 12 1HD2 LEU 12 -4.592 -5.757 -4.182
74 HD23 LEU 12 2HD2 LEU 12 -3.432 -5.836 -5.509
75 H PHE 13 H PHE 13 -1.667 -6.763 -5.592
76 HA PHE 13 HA PHE 13 -0.316 -5.118 -7.615
77 HB2 PHE 13 1HB PHE 13 -1.174 -3.968 -4.967
78 HB3 PHE 13 2HB PHE 13 -0.625 -3.112 -6.405
79 HD1 PHE 13 HD2 PHE 13 -2.204 -4.039 -8.554
80 HD2 PHE 13 HD1 PHE 13 -3.354 -3.461 -4.497
81 HE1 PHE 13 HE2 PHE 13 -4.540 -3.734 -9.263
82 HE2 PHE 13 HE1 PHE 13 -5.692 -3.157 -5.200
83 HZ PHE 13 HZ PHE 13 -6.288 -3.292 -7.586
84 H LYS 14 H LYS 14 1.806 -4.569 -7.163
85 HA LYS 14 HA LYS 14 2.958 -5.567 -4.657
86 HB2 LYS 14 1HB LYS 14 3.165 -7.123 -6.796
87 HB3 LYS 14 2HB LYS 14 4.483 -6.025 -7.181
88 HG2 LYS 14 1HG LYS 14 5.184 -6.546 -4.693
89 HG3 LYS 14 2HG LYS 14 4.240 -8.009 -4.985
90 HD2 LYS 14 1HD LYS 14 6.431 -8.583 -5.595
91 HD3 LYS 14 2HD LYS 14 5.616 -8.255 -7.126
92 HE2 LYS 14 1HE LYS 14 6.527 -5.865 -6.854
93 HE3 LYS 14 2HE LYS 14 7.607 -6.564 -5.648
94 HZ1 LYS 14 3HZ LYS 14 7.398 -7.670 -8.383
95 HZ2 LYS 14 1HZ LYS 14 8.627 -7.907 -7.245
96 HZ3 LYS 14 2HZ LYS 14 8.462 -6.409 -8.011
97 H CYS 15 H CYS 15 4.457 -4.255 -3.790
98 HA CYS 15 HA CYS 15 5.047 -1.772 -5.187
99 HB2 CYS 15 1HB CYS 15 4.311 -1.618 -2.871
100 HB3 CYS 15 2HB CYS 15 5.633 -2.661 -2.356
101 H ASN 16 H ASN 16 6.760 -1.701 -6.475
102 HA ASN 16 HA ASN 16 8.960 -3.536 -6.170
103 HB2 ASN 16 1HB ASN 16 8.811 -1.188 -8.062
104 HB3 ASN 16 2HB ASN 16 9.784 -2.646 -8.226
105 HD21 ASN 16 1HD2 ASN 16 7.416 -1.219 -9.675
106 HD22 ASN 16 2HD2 ASN 16 6.390 -2.544 -10.097
107 H GLU 17 H GLU 17 8.674 -1.897 -3.915
108 HA GLU 17 HA GLU 17 11.223 -0.444 -4.012
109 HB2 GLU 17 1HB GLU 17 8.880 0.599 -2.438
110 HB3 GLU 17 2HB GLU 17 10.375 1.428 -2.850
111 HG2 GLU 17 1HG GLU 17 9.488 1.015 -5.310
112 HG3 GLU 17 2HG GLU 17 7.937 0.984 -4.473
113 H CYS 18 H CYS 18 8.693 -1.812 -1.931
114 HA CYS 18 HA CYS 18 10.804 -2.775 -0.131
115 HB2 CYS 18 1HB CYS 18 9.480 -2.192 1.828
116 HB3 CYS 18 2HB CYS 18 9.792 -0.751 0.866
117 H LYS 19 H LYS 19 9.015 -3.933 -2.265
118 HA LYS 19 HA LYS 19 7.612 -5.717 -2.610
119 HB2 LYS 19 1HB LYS 19 9.194 -6.908 -0.332
120 HB3 LYS 19 2HB LYS 19 8.446 -7.761 -1.675
121 HG2 LYS 19 1HG LYS 19 10.779 -5.865 -1.851
122 HG3 LYS 19 2HG LYS 19 10.845 -7.625 -1.972
123 HD2 LYS 19 1HD LYS 19 9.322 -7.456 -3.955
124 HD3 LYS 19 2HD LYS 19 9.517 -5.703 -3.878
125 HE2 LYS 19 1HE LYS 19 11.948 -7.427 -3.941
126 HE3 LYS 19 2HE LYS 19 11.044 -7.176 -5.434
127 HZ1 LYS 19 3HZ LYS 19 11.420 -4.879 -5.348
128 HZ2 LYS 19 1HZ LYS 19 12.914 -5.571 -4.956
129 HZ3 LYS 19 2HZ LYS 19 11.937 -4.922 -3.738
130 H LYS 20 H LYS 20 6.349 -3.847 -1.005
131 HA LYS 20 HA LYS 20 4.940 -5.510 0.977
132 HB2 LYS 20 1HB LYS 20 6.124 -3.448 1.817
133 HB3 LYS 20 2HB LYS 20 4.999 -2.492 0.862
134 HG2 LYS 20 1HG LYS 20 3.130 -3.439 2.140
135 HG3 LYS 20 2HG LYS 20 4.280 -4.353 3.119
136 HD2 LYS 20 1HD LYS 20 5.329 -1.924 3.430
137 HD3 LYS 20 2HD LYS 20 3.657 -1.451 3.120
138 HE2 LYS 20 1HE LYS 20 3.022 -3.158 4.903
139 HE3 LYS 20 2HE LYS 20 4.733 -3.190 5.324
140 HZ1 LYS 20 3HZ LYS 20 3.669 -0.532 5.123
141 HZ2 LYS 20 1HZ LYS 20 4.575 -1.242 6.363
142 HZ3 LYS 20 2HZ LYS 20 2.898 -1.457 6.312
143 H THR 21 H THR 21 2.631 -5.203 1.173
144 HA THR 21 HA THR 21 1.309 -4.003 -1.148
145 HB THR 21 HB THR 21 -0.151 -5.989 -1.413
146 HG1 THR 21 HG1 THR 21 0.714 -7.974 -0.444
147 HG21 THR 21 3HG2 THR 21 2.801 -6.527 -1.751
148 HG22 THR 21 1HG2 THR 21 1.753 -5.704 -2.905
149 HG23 THR 21 2HG2 THR 21 1.504 -7.414 -2.552
150 H PHE 22 H PHE 22 -1.148 -4.090 -0.835
151 HA PHE 22 HA PHE 22 -1.949 -4.032 1.970
152 HB2 PHE 22 1HB PHE 22 -2.342 -1.681 0.106
153 HB3 PHE 22 2HB PHE 22 -2.983 -1.812 1.740
154 HD1 PHE 22 HD1 PHE 22 0.149 -1.624 -0.219
155 HD2 PHE 22 HD2 PHE 22 -1.687 -1.214 3.599
156 HE1 PHE 22 HE1 PHE 22 2.218 -0.628 0.665
157 HE2 PHE 22 HE2 PHE 22 0.379 -0.217 4.489
158 HZ PHE 22 HZ PHE 22 2.335 0.078 3.021
159 H THR 23 H THR 23 -4.007 -4.683 2.294
160 HA THR 23 HA THR 23 -5.411 -6.181 0.526
161 HB THR 23 HB THR 23 -6.743 -4.410 2.582
162 HG1 THR 23 HG1 THR 23 -5.660 -7.028 2.912
163 HG21 THR 23 3HG2 THR 23 -7.540 -7.109 1.486
164 HG22 THR 23 1HG2 THR 23 -8.261 -5.571 1.012
165 HG23 THR 23 2HG2 THR 23 -8.430 -6.152 2.669
166 H GLN 24 H GLN 24 -5.437 -2.688 0.777
167 HA GLN 24 HA GLN 24 -7.286 -2.581 -1.515
168 HB2 GLN 24 1HB GLN 24 -6.858 -0.598 0.720
169 HB3 GLN 24 2HB GLN 24 -7.785 -0.240 -0.731
170 HG2 GLN 24 1HG GLN 24 -9.399 -0.825 0.822
171 HG3 GLN 24 2HG GLN 24 -9.175 -2.300 -0.116
172 HE21 GLN 24 1HE2 GLN 24 -7.393 -0.824 2.573
173 HE22 GLN 24 2HE2 GLN 24 -7.461 -2.209 3.604
174 H SER 25 H SER 25 -6.840 -1.116 -3.190
175 HA SER 25 HA SER 25 -4.096 -0.818 -3.818
176 HB2 SER 25 1HB SER 25 -4.821 0.160 -5.862
177 HB3 SER 25 2HB SER 25 -6.037 -1.050 -5.454
178 HG SER 25 HG SER 25 -6.574 1.348 -6.045
179 H SER 26 H SER 26 -6.600 1.530 -2.898
180 HA SER 26 HA SER 26 -5.220 3.882 -3.095
181 HB2 SER 26 1HB SER 26 -7.112 3.090 -0.867
182 HB3 SER 26 2HB SER 26 -6.654 4.743 -1.279
183 HG SER 26 HG SER 26 -7.460 3.794 -3.516
184 H SER 27 H SER 27 -5.090 1.546 -0.440
185 HA SER 27 HA SER 27 -3.477 3.013 1.309
186 HB2 SER 27 1HB SER 27 -4.709 0.824 1.766
187 HB3 SER 27 2HB SER 27 -3.342 0.012 1.003
188 HG SER 27 HG SER 27 -2.336 1.706 2.744
189 H LEU 28 H LEU 28 -2.642 0.941 -1.414
190 HA LEU 28 HA LEU 28 0.149 0.887 -0.961
191 HB2 LEU 28 1HB LEU 28 -0.758 -0.758 -2.387
192 HB3 LEU 28 2HB LEU 28 -1.550 0.449 -3.399
193 HG LEU 28 HG LEU 28 0.611 1.147 -4.283
194 HD11 LEU 28 1HD1 LEU 28 1.611 -0.168 -1.990
195 HD12 LEU 28 2HD1 LEU 28 2.505 0.735 -3.213
196 HD13 LEU 28 3HD1 LEU 28 2.258 -1.001 -3.404
197 HD21 LEU 28 3HD2 LEU 28 0.929 -1.724 -4.673
198 HD22 LEU 28 1HD2 LEU 28 0.546 -0.455 -5.837
199 HD23 LEU 28 2HD2 LEU 28 -0.737 -1.175 -4.864
200 H THR 29 H THR 29 -1.854 2.884 -3.121
201 HA THR 29 HA THR 29 0.141 4.413 -4.278
202 HB THR 29 HB THR 29 -2.575 5.476 -3.490
203 HG1 THR 29 HG1 THR 29 -1.770 3.681 -5.506
204 HG21 THR 29 3HG2 THR 29 -1.469 6.220 -6.078
205 HG22 THR 29 1HG2 THR 29 -0.448 6.729 -4.734
206 HG23 THR 29 2HG2 THR 29 -2.135 7.238 -4.800
207 H VAL 30 H VAL 30 -1.859 5.401 -1.488
208 HA VAL 30 HA VAL 30 -0.412 7.687 -0.831
209 HB VAL 30 HB VAL 30 -2.664 7.001 0.089
210 HG11 VAL 30 1HG1 VAL 30 -2.825 5.568 1.951
211 HG12 VAL 30 2HG1 VAL 30 -1.799 4.716 0.795
212 HG13 VAL 30 3HG1 VAL 30 -1.077 5.536 2.179
213 HG21 VAL 30 3HG2 VAL 30 -1.890 7.845 2.511
214 HG22 VAL 30 1HG2 VAL 30 -0.444 8.251 1.587
215 HG23 VAL 30 2HG2 VAL 30 -2.008 8.913 1.114
216 H HIS 31 H HIS 31 0.483 4.428 -0.531
217 HA HIS 31 HA HIS 31 2.387 4.915 1.622
218 HB2 HIS 31 1HB HIS 31 1.591 2.806 1.982
219 HB3 HIS 31 2HB HIS 31 1.274 2.517 0.274
220 HD1 HIS 31 HD1 HIS 31 4.293 2.781 2.577
221 HD2 HIS 31 HD2 HIS 31 3.042 0.817 -0.864
222 HE1 HIS 31 HE1 HIS 31 6.156 1.196 1.993
223 H GLN 32 H GLN 32 2.280 4.509 -1.839
224 HA GLN 32 HA GLN 32 5.028 4.009 -2.268
225 HB2 GLN 32 1HB GLN 32 2.908 3.891 -3.868
226 HB3 GLN 32 2HB GLN 32 3.447 5.508 -4.300
227 HG2 GLN 32 1HG GLN 32 4.519 4.213 -5.862
228 HG3 GLN 32 2HG GLN 32 5.757 4.380 -4.618
229 HE21 GLN 32 1HE2 GLN 32 2.960 2.273 -5.223
230 HE22 GLN 32 2HE2 GLN 32 3.797 0.792 -4.921
231 H ARG 33 H ARG 33 3.124 6.989 -2.151
232 HA ARG 33 HA ARG 33 4.932 8.847 -3.024
233 HB2 ARG 33 1HB ARG 33 3.792 10.475 -1.641
234 HB3 ARG 33 2HB ARG 33 2.616 9.348 -2.305
235 HG2 ARG 33 1HG ARG 33 2.754 8.102 -0.115
236 HG3 ARG 33 2HG ARG 33 3.671 9.478 0.504
237 HD2 ARG 33 1HD ARG 33 1.229 9.556 1.011
238 HD3 ARG 33 2HD ARG 33 1.834 10.958 0.130
239 HE ARG 33 HE ARG 33 0.854 9.032 -1.683
240 HH11 ARG 33 1HH1 ARG 33 -0.234 11.358 0.667
241 HH12 ARG 33 2HH1 ARG 33 -1.762 11.620 -0.107
242 HH21 ARG 33 1HH2 ARG 33 -1.154 9.369 -2.712
243 HH22 ARG 33 2HH2 ARG 33 -2.284 10.487 -2.028
244 H ILE 34 H ILE 34 5.063 6.964 -0.124
245 HA ILE 34 HA ILE 34 6.817 8.568 1.390
246 HB ILE 34 HB ILE 34 6.193 5.632 1.411
247 HG12 ILE 34 1HG1 ILE 34 5.628 6.500 3.869
248 HG13 ILE 34 2HG1 ILE 34 5.513 8.042 3.027
249 HG21 ILE 34 1HG2 ILE 34 7.617 5.375 3.382
250 HG22 ILE 34 2HG2 ILE 34 8.559 5.820 1.960
251 HG23 ILE 34 3HG2 ILE 34 8.188 7.032 3.186
252 HD11 ILE 34 3HD1 ILE 34 3.753 5.687 2.926
253 HD12 ILE 34 1HD1 ILE 34 3.373 7.403 2.779
254 HD13 ILE 34 2HD1 ILE 34 4.026 6.521 1.397
255 H HIS 35 H HIS 35 7.447 5.840 -0.806
256 HA HIS 35 HA HIS 35 10.267 5.940 -0.540
257 HB2 HIS 35 1HB HIS 35 8.736 4.857 -2.907
258 HB3 HIS 35 2HB HIS 35 10.340 4.381 -2.357
259 HD1 HIS 35 HD1 HIS 35 10.162 3.465 0.345
260 HD2 HIS 35 HD2 HIS 35 6.911 3.011 -2.201
261 HE1 HIS 35 HE1 HIS 35 8.764 1.638 1.360
262 H THR 36 H THR 36 7.990 7.426 -2.779
263 HA THR 36 HA THR 36 9.900 8.440 -4.599
264 HB THR 36 HB THR 36 8.142 9.865 -5.448
265 HG1 THR 36 HG1 THR 36 6.152 10.023 -4.297
266 HG21 THR 36 3HG2 THR 36 8.062 7.333 -5.778
267 HG22 THR 36 1HG2 THR 36 6.575 8.228 -6.090
268 HG23 THR 36 2HG2 THR 36 6.767 7.334 -4.581
269 H GLY 37 H GLY 37 8.439 9.763 -1.665
270 HA2 GLY 37 1HA GLY 37 9.748 12.319 -1.973
271 HA3 GLY 37 2HA GLY 37 8.795 11.792 -0.594
272 H GLU 38 H GLU 38 11.572 10.107 -1.967
273 HA GLU 38 HA GLU 38 12.886 10.290 0.638
274 HB2 GLU 38 1HB GLU 38 13.122 8.450 -1.708
275 HB3 GLU 38 2HB GLU 38 14.480 8.605 -0.603
276 HG2 GLU 38 1HG GLU 38 12.727 8.139 1.238
277 HG3 GLU 38 2HG GLU 38 11.746 7.521 -0.090
278 H LYS 39 H LYS 39 15.410 10.277 0.403
279 HA LYS 39 HA LYS 39 17.089 11.864 0.206
280 HB2 LYS 39 1HB LYS 39 17.078 10.061 -1.769
281 HB3 LYS 39 2HB LYS 39 16.876 11.513 -2.741
282 HG2 LYS 39 1HG LYS 39 18.909 12.450 -1.688
283 HG3 LYS 39 2HG LYS 39 19.129 10.922 -0.833
284 HD2 LYS 39 1HD LYS 39 19.622 9.758 -2.782
285 HD3 LYS 39 2HD LYS 39 18.845 10.961 -3.814
286 HE2 LYS 39 1HE LYS 39 20.703 12.542 -2.924
287 HE3 LYS 39 2HE LYS 39 21.528 11.046 -2.489
288 HZ1 LYS 39 3HZ LYS 39 20.692 10.650 -5.062
289 HZ2 LYS 39 1HZ LYS 39 22.266 11.024 -4.568
290 HZ3 LYS 39 2HZ LYS 39 21.217 12.259 -5.052
291 HA PRO 40 HA PRO 40 14.196 15.240 -1.413
292 HB2 PRO 40 1HB PRO 40 13.716 16.435 0.976
293 HB3 PRO 40 2HB PRO 40 12.709 15.132 0.335
294 HG2 PRO 40 1HG PRO 40 14.904 15.004 2.366
295 HG3 PRO 40 2HG PRO 40 13.322 14.203 2.376
296 HD2 PRO 40 1HD PRO 40 15.599 12.923 1.663
297 HD3 PRO 40 2HD PRO 40 14.020 12.530 0.953
298 H SER 41 H SER 41 17.170 14.837 0.008
299 HA SER 41 HA SER 41 18.046 17.307 0.828
300 HB2 SER 41 1HB SER 41 19.520 15.190 -0.751
301 HB3 SER 41 2HB SER 41 20.309 16.590 -0.025
302 HG SER 41 HG SER 41 19.080 15.724 1.961
303 H GLY 42 H GLY 42 18.463 19.221 -0.096
304 HA2 GLY 42 1HA GLY 42 19.459 20.241 -2.198
305 HA3 GLY 42 2HA GLY 42 18.166 19.389 -3.029
306 HA PRO 43 HA PRO 43 16.042 22.848 -0.387
307 HB2 PRO 43 1HB PRO 43 17.691 24.688 0.736
308 HB3 PRO 43 2HB PRO 43 17.192 23.211 1.569
309 HG2 PRO 43 1HG PRO 43 19.742 23.796 0.113
310 HG3 PRO 43 2HG PRO 43 19.503 22.969 1.663
311 HD2 PRO 43 1HD PRO 43 19.947 21.631 -0.649
312 HD3 PRO 43 2HD PRO 43 18.936 20.975 0.655
313 H SER 44 H SER 44 18.187 22.939 -2.845
314 HA SER 44 HA SER 44 18.174 25.735 -3.477
315 HB2 SER 44 1HB SER 44 19.865 23.895 -4.221
316 HB3 SER 44 2HB SER 44 18.694 23.575 -5.501
317 HG SER 44 HG SER 44 18.861 26.003 -5.792
318 H SER 45 H SER 45 15.590 25.072 -2.978
319 HA SER 45 HA SER 45 14.289 24.734 -5.581
320 HB2 SER 45 1HB SER 45 12.193 24.535 -4.200
321 HB3 SER 45 2HB SER 45 13.399 23.289 -3.877
322 HG SER 45 HG SER 45 12.930 23.951 -1.892
323 H GLY 46 H GLY 46 12.308 26.113 -5.948
324 HA2 GLY 46 1HA GLY 46 13.086 28.874 -5.760
325 HA3 GLY 46 2HA GLY 46 11.637 28.248 -6.532
Start of MODEL 17
1 H1 GLY 1 H GLY 1 19.620 -15.254 2.936
2 HA2 GLY 1 1HA GLY 1 19.502 -14.911 5.826
3 HA3 GLY 1 2HA GLY 1 19.254 -13.459 4.868
4 H SER 2 H SER 2 17.424 -13.347 3.467
5 HA SER 2 HA SER 2 15.353 -15.372 3.934
6 HB2 SER 2 1HB SER 2 14.886 -12.391 4.190
7 HB3 SER 2 2HB SER 2 13.671 -13.656 4.371
8 HG SER 2 HG SER 2 15.303 -14.429 6.069
9 H SER 3 H SER 3 15.077 -16.145 1.936
10 HA SER 3 HA SER 3 14.036 -14.399 -0.107
11 HB2 SER 3 1HB SER 3 16.402 -14.097 -0.542
12 HB3 SER 3 2HB SER 3 16.665 -15.841 -0.528
13 HG SER 3 HG SER 3 15.742 -14.228 -2.532
14 H GLY 4 H GLY 4 12.502 -15.446 -1.203
15 HA2 GLY 4 1HA GLY 4 12.391 -17.769 -2.469
16 HA3 GLY 4 2HA GLY 4 12.247 -18.328 -0.809
17 H SER 5 H SER 5 10.821 -15.862 -2.955
18 HA SER 5 HA SER 5 8.242 -16.298 -1.624
19 HB2 SER 5 1HB SER 5 8.933 -13.977 -1.688
20 HB3 SER 5 2HB SER 5 9.199 -14.064 -3.429
21 HG SER 5 HG SER 5 7.214 -13.260 -3.350
22 H SER 6 H SER 6 6.802 -17.561 -2.574
23 HA SER 6 HA SER 6 6.645 -17.616 -5.500
24 HB2 SER 6 1HB SER 6 6.483 -20.048 -5.537
25 HB3 SER 6 2HB SER 6 8.002 -19.568 -4.780
26 HG SER 6 HG SER 6 7.031 -21.162 -3.536
27 H GLY 7 H GLY 7 4.606 -18.654 -6.268
28 HA2 GLY 7 1HA GLY 7 2.328 -19.071 -6.124
29 HA3 GLY 7 2HA GLY 7 2.438 -18.896 -4.379
30 H ALA 8 H ALA 8 2.885 -16.825 -7.251
31 HA ALA 8 HA ALA 8 1.439 -14.698 -5.822
32 HB1 ALA 8 3HB ALA 8 2.941 -13.256 -6.599
33 HB2 ALA 8 1HB ALA 8 3.869 -14.640 -7.177
34 HB3 ALA 8 2HB ALA 8 2.729 -13.830 -8.253
35 H GLY 9 H GLY 9 -0.619 -15.660 -6.359
36 HA2 GLY 9 1HA GLY 9 -1.399 -15.099 -9.153
37 HA3 GLY 9 2HA GLY 9 -1.986 -16.516 -8.294
38 H LYS 10 H LYS 10 -2.341 -15.127 -5.769
39 HA LYS 10 HA LYS 10 -4.945 -14.003 -6.314
40 HB2 LYS 10 1HB LYS 10 -5.156 -13.910 -3.853
41 HB3 LYS 10 2HB LYS 10 -4.702 -15.508 -4.429
42 HG2 LYS 10 1HG LYS 10 -2.611 -15.397 -3.518
43 HG3 LYS 10 2HG LYS 10 -2.542 -13.636 -3.614
44 HD2 LYS 10 1HD LYS 10 -4.410 -15.079 -1.749
45 HD3 LYS 10 2HD LYS 10 -2.759 -14.654 -1.292
46 HE2 LYS 10 1HE LYS 10 -4.810 -12.677 -2.279
47 HE3 LYS 10 2HE LYS 10 -4.490 -13.002 -0.576
48 HZ1 LYS 10 3HZ LYS 10 -2.361 -12.146 -2.446
49 HZ2 LYS 10 1HZ LYS 10 -2.332 -12.138 -0.755
50 HZ3 LYS 10 2HZ LYS 10 -3.308 -11.037 -1.589
51 H LYS 11 H LYS 11 -1.806 -12.880 -5.195
52 HA LYS 11 HA LYS 11 -2.320 -10.401 -4.202
53 HB2 LYS 11 1HB LYS 11 -0.063 -11.510 -4.560
54 HB3 LYS 11 2HB LYS 11 -0.119 -10.894 -6.206
55 HG2 LYS 11 1HG LYS 11 1.195 -9.402 -4.895
56 HG3 LYS 11 2HG LYS 11 -0.331 -8.598 -5.273
57 HD2 LYS 11 1HD LYS 11 0.223 -8.198 -2.961
58 HD3 LYS 11 2HD LYS 11 -1.183 -9.263 -3.043
59 HE2 LYS 11 1HE LYS 11 0.226 -11.193 -2.621
60 HE3 LYS 11 2HE LYS 11 1.664 -10.173 -2.628
61 HZ1 LYS 11 3HZ LYS 11 1.199 -10.418 -0.393
62 HZ2 LYS 11 1HZ LYS 11 -0.477 -10.336 -0.609
63 HZ3 LYS 11 2HZ LYS 11 0.462 -8.935 -0.741
64 H LEU 12 H LEU 12 -2.401 -8.274 -5.087
65 HA LEU 12 HA LEU 12 -3.288 -8.147 -7.891
66 HB2 LEU 12 1HB LEU 12 -4.676 -6.119 -6.767
67 HB3 LEU 12 2HB LEU 12 -5.324 -7.731 -7.059
68 HG LEU 12 HG LEU 12 -5.875 -6.848 -4.821
69 HD11 LEU 12 1HD1 LEU 12 -6.014 -9.012 -4.361
70 HD12 LEU 12 2HD1 LEU 12 -4.351 -8.949 -3.776
71 HD13 LEU 12 3HD1 LEU 12 -4.680 -9.381 -5.454
72 HD21 LEU 12 3HD2 LEU 12 -4.360 -6.049 -3.373
73 HD22 LEU 12 1HD2 LEU 12 -3.333 -5.876 -4.796
74 HD23 LEU 12 2HD2 LEU 12 -3.178 -7.299 -3.766
75 H PHE 13 H PHE 13 -1.652 -6.641 -5.207
76 HA PHE 13 HA PHE 13 -0.427 -4.746 -7.083
77 HB2 PHE 13 1HB PHE 13 -1.189 -3.941 -4.279
78 HB3 PHE 13 2HB PHE 13 -0.655 -2.906 -5.599
79 HD1 PHE 13 HD2 PHE 13 -2.228 -3.170 -7.782
80 HD2 PHE 13 HD1 PHE 13 -3.406 -3.834 -3.746
81 HE1 PHE 13 HE2 PHE 13 -4.572 -2.752 -8.401
82 HE2 PHE 13 HE1 PHE 13 -5.753 -3.418 -4.359
83 HZ PHE 13 HZ PHE 13 -6.338 -2.875 -6.689
84 H LYS 14 H LYS 14 1.725 -4.359 -6.770
85 HA LYS 14 HA LYS 14 3.011 -5.521 -4.404
86 HB2 LYS 14 1HB LYS 14 3.026 -6.982 -6.604
87 HB3 LYS 14 2HB LYS 14 4.323 -5.887 -7.064
88 HG2 LYS 14 1HG LYS 14 4.423 -7.217 -4.401
89 HG3 LYS 14 2HG LYS 14 4.842 -8.137 -5.848
90 HD2 LYS 14 1HD LYS 14 6.356 -6.092 -6.387
91 HD3 LYS 14 2HD LYS 14 6.193 -5.743 -4.664
92 HE2 LYS 14 1HE LYS 14 8.186 -7.040 -5.010
93 HE3 LYS 14 2HE LYS 14 6.996 -8.038 -4.176
94 HZ1 LYS 14 3HZ LYS 14 7.183 -8.140 -7.111
95 HZ2 LYS 14 1HZ LYS 14 6.643 -9.325 -6.031
96 HZ3 LYS 14 2HZ LYS 14 8.296 -9.001 -6.173
97 H CYS 15 H CYS 15 4.500 -4.224 -3.533
98 HA CYS 15 HA CYS 15 5.116 -1.721 -4.868
99 HB2 CYS 15 1HB CYS 15 4.534 -2.138 -2.332
100 HB3 CYS 15 2HB CYS 15 6.257 -2.477 -2.207
101 H ASN 16 H ASN 16 6.749 -1.676 -6.261
102 HA ASN 16 HA ASN 16 8.915 -3.563 -6.137
103 HB2 ASN 16 1HB ASN 16 8.641 -1.135 -7.919
104 HB3 ASN 16 2HB ASN 16 9.704 -2.517 -8.172
105 HD21 ASN 16 1HD2 ASN 16 6.652 -1.189 -8.731
106 HD22 ASN 16 2HD2 ASN 16 5.914 -2.568 -9.466
107 H GLU 17 H GLU 17 8.708 -1.897 -3.827
108 HA GLU 17 HA GLU 17 11.346 -0.613 -3.950
109 HB2 GLU 17 1HB GLU 17 8.988 0.568 -2.478
110 HB3 GLU 17 2HB GLU 17 10.591 1.271 -2.651
111 HG2 GLU 17 1HG GLU 17 9.139 0.663 -5.148
112 HG3 GLU 17 2HG GLU 17 8.506 1.978 -4.159
113 H CYS 18 H CYS 18 8.743 -1.755 -1.815
114 HA CYS 18 HA CYS 18 10.814 -2.788 0.004
115 HB2 CYS 18 1HB CYS 18 9.346 -2.252 1.912
116 HB3 CYS 18 2HB CYS 18 9.821 -0.807 1.025
117 H LYS 19 H LYS 19 9.015 -3.906 -2.189
118 HA LYS 19 HA LYS 19 7.651 -5.707 -2.574
119 HB2 LYS 19 1HB LYS 19 9.538 -6.658 -0.428
120 HB3 LYS 19 2HB LYS 19 8.374 -7.740 -1.182
121 HG2 LYS 19 1HG LYS 19 10.365 -8.072 -2.359
122 HG3 LYS 19 2HG LYS 19 9.389 -7.035 -3.403
123 HD2 LYS 19 1HD LYS 19 10.614 -5.073 -2.579
124 HD3 LYS 19 2HD LYS 19 11.599 -6.124 -1.559
125 HE2 LYS 19 1HE LYS 19 11.432 -6.622 -4.502
126 HE3 LYS 19 2HE LYS 19 12.489 -5.353 -3.884
127 HZ1 LYS 19 3HZ LYS 19 13.882 -6.846 -2.934
128 HZ2 LYS 19 1HZ LYS 19 13.303 -7.830 -4.181
129 HZ3 LYS 19 2HZ LYS 19 12.667 -7.980 -2.621
130 H LYS 20 H LYS 20 6.420 -3.816 -0.896
131 HA LYS 20 HA LYS 20 5.028 -5.437 1.115
132 HB2 LYS 20 1HB LYS 20 6.022 -3.198 1.732
133 HB3 LYS 20 2HB LYS 20 4.819 -2.455 0.685
134 HG2 LYS 20 1HG LYS 20 3.764 -2.288 2.696
135 HG3 LYS 20 2HG LYS 20 3.150 -3.853 2.157
136 HD2 LYS 20 1HD LYS 20 4.349 -5.009 3.707
137 HD3 LYS 20 2HD LYS 20 5.687 -3.857 3.689
138 HE2 LYS 20 1HE LYS 20 4.570 -2.375 5.126
139 HE3 LYS 20 2HE LYS 20 3.011 -3.152 4.855
140 HZ1 LYS 20 3HZ LYS 20 3.381 -4.466 6.580
141 HZ2 LYS 20 1HZ LYS 20 4.838 -3.662 6.888
142 HZ3 LYS 20 2HZ LYS 20 4.822 -5.036 5.901
143 H THR 21 H THR 21 2.718 -5.395 1.235
144 HA THR 21 HA THR 21 1.358 -4.606 -1.249
145 HB THR 21 HB THR 21 0.023 -6.672 -1.203
146 HG1 THR 21 HG1 THR 21 0.228 -7.199 1.003
147 HG21 THR 21 3HG2 THR 21 1.872 -8.261 -1.831
148 HG22 THR 21 1HG2 THR 21 3.017 -7.020 -1.322
149 HG23 THR 21 2HG2 THR 21 1.913 -6.705 -2.660
150 H PHE 22 H PHE 22 -1.066 -4.646 -0.977
151 HA PHE 22 HA PHE 22 -2.035 -4.325 1.735
152 HB2 PHE 22 1HB PHE 22 -2.184 -2.020 -0.219
153 HB3 PHE 22 2HB PHE 22 -2.866 -2.055 1.404
154 HD1 PHE 22 HD1 PHE 22 0.243 -1.912 -0.546
155 HD2 PHE 22 HD2 PHE 22 -1.506 -1.692 3.328
156 HE1 PHE 22 HE1 PHE 22 2.352 -1.016 0.352
157 HE2 PHE 22 HE2 PHE 22 0.599 -0.796 4.232
158 HZ PHE 22 HZ PHE 22 2.532 -0.456 2.743
159 H THR 23 H THR 23 -4.007 -5.160 1.861
160 HA THR 23 HA THR 23 -5.376 -6.451 -0.072
161 HB THR 23 HB THR 23 -6.060 -6.562 2.261
162 HG1 THR 23 HG1 THR 23 -7.971 -5.832 0.315
163 HG21 THR 23 3HG2 THR 23 -7.718 -4.174 2.292
164 HG22 THR 23 1HG2 THR 23 -6.000 -3.796 2.174
165 HG23 THR 23 2HG2 THR 23 -6.597 -4.783 3.508
166 H GLN 24 H GLN 24 -5.345 -2.999 0.460
167 HA GLN 24 HA GLN 24 -7.102 -2.670 -1.883
168 HB2 GLN 24 1HB GLN 24 -6.819 -0.856 0.518
169 HB3 GLN 24 2HB GLN 24 -7.766 -0.481 -0.915
170 HG2 GLN 24 1HG GLN 24 -9.162 -2.465 -0.472
171 HG3 GLN 24 2HG GLN 24 -8.251 -2.740 1.012
172 HE21 GLN 24 1HE2 GLN 24 -11.117 -2.033 0.394
173 HE22 GLN 24 2HE2 GLN 24 -11.450 -0.679 1.413
174 H SER 25 H SER 25 -6.537 -1.139 -3.419
175 HA SER 25 HA SER 25 -3.782 -0.706 -3.813
176 HB2 SER 25 1HB SER 25 -4.532 0.783 -5.689
177 HB3 SER 25 2HB SER 25 -5.256 -0.824 -5.717
178 HG SER 25 HG SER 25 -6.429 1.639 -5.323
179 H SER 26 H SER 26 -6.383 1.493 -2.810
180 HA SER 26 HA SER 26 -5.119 3.894 -2.716
181 HB2 SER 26 1HB SER 26 -6.595 4.510 -0.863
182 HB3 SER 26 2HB SER 26 -7.472 3.539 -2.045
183 HG SER 26 HG SER 26 -7.545 1.888 -0.667
184 H SER 27 H SER 27 -4.832 1.290 -0.340
185 HA SER 27 HA SER 27 -3.267 2.657 1.542
186 HB2 SER 27 1HB SER 27 -3.748 -0.221 0.894
187 HB3 SER 27 2HB SER 27 -2.423 0.185 1.985
188 HG SER 27 HG SER 27 -3.891 0.361 3.463
189 H LEU 28 H LEU 28 -2.339 0.691 -1.258
190 HA LEU 28 HA LEU 28 0.456 0.891 -0.828
191 HB2 LEU 28 1HB LEU 28 -0.307 -0.882 -2.182
192 HB3 LEU 28 2HB LEU 28 -1.222 0.206 -3.223
193 HG LEU 28 HG LEU 28 0.884 1.091 -4.128
194 HD11 LEU 28 1HD1 LEU 28 1.989 -0.274 -1.871
195 HD12 LEU 28 2HD1 LEU 28 2.771 0.835 -2.996
196 HD13 LEU 28 3HD1 LEU 28 2.721 -0.891 -3.353
197 HD21 LEU 28 3HD2 LEU 28 -0.078 -0.626 -5.413
198 HD22 LEU 28 1HD2 LEU 28 0.397 -1.871 -4.259
199 HD23 LEU 28 2HD2 LEU 28 1.620 -1.072 -5.247
200 H THR 29 H THR 29 -1.676 2.535 -3.167
201 HA THR 29 HA THR 29 0.116 4.210 -4.375
202 HB THR 29 HB THR 29 -2.705 4.928 -3.553
203 HG1 THR 29 HG1 THR 29 -2.178 2.997 -4.987
204 HG21 THR 29 3HG2 THR 29 -0.672 6.474 -4.834
205 HG22 THR 29 1HG2 THR 29 -2.338 6.924 -4.472
206 HG23 THR 29 2HG2 THR 29 -1.951 6.132 -5.999
207 H VAL 30 H VAL 30 -1.891 5.185 -1.586
208 HA VAL 30 HA VAL 30 -0.604 7.591 -1.061
209 HB VAL 30 HB VAL 30 -2.761 6.860 -0.043
210 HG11 VAL 30 1HG1 VAL 30 -1.839 4.582 0.600
211 HG12 VAL 30 2HG1 VAL 30 -1.093 5.390 1.980
212 HG13 VAL 30 3HG1 VAL 30 -2.848 5.393 1.798
213 HG21 VAL 30 3HG2 VAL 30 -1.971 7.686 2.370
214 HG22 VAL 30 1HG2 VAL 30 -0.531 8.116 1.446
215 HG23 VAL 30 2HG2 VAL 30 -2.102 8.774 0.988
216 H HIS 31 H HIS 31 0.409 4.357 -0.418
217 HA HIS 31 HA HIS 31 2.367 5.108 1.576
218 HB2 HIS 31 1HB HIS 31 1.735 2.966 2.047
219 HB3 HIS 31 2HB HIS 31 1.407 2.578 0.361
220 HD1 HIS 31 HD1 HIS 31 4.438 3.152 2.588
221 HD2 HIS 31 HD2 HIS 31 3.274 0.964 -0.746
222 HE1 HIS 31 HE1 HIS 31 6.400 1.680 2.032
223 H GLN 32 H GLN 32 2.224 4.609 -1.859
224 HA GLN 32 HA GLN 32 4.976 4.228 -2.351
225 HB2 GLN 32 1HB GLN 32 2.837 4.005 -3.902
226 HB3 GLN 32 2HB GLN 32 3.273 5.651 -4.343
227 HG2 GLN 32 1HG GLN 32 4.277 4.218 -5.930
228 HG3 GLN 32 2HG GLN 32 5.565 4.805 -4.880
229 HE21 GLN 32 1HE2 GLN 32 3.192 2.166 -4.741
230 HE22 GLN 32 2HE2 GLN 32 4.340 0.925 -4.386
231 H ARG 33 H ARG 33 2.975 7.116 -2.074
232 HA ARG 33 HA ARG 33 4.633 9.067 -3.046
233 HB2 ARG 33 1HB ARG 33 3.437 10.620 -1.746
234 HB3 ARG 33 2HB ARG 33 2.305 9.301 -2.014
235 HG2 ARG 33 1HG ARG 33 3.000 8.409 0.242
236 HG3 ARG 33 2HG ARG 33 3.837 9.943 0.487
237 HD2 ARG 33 1HD ARG 33 0.998 10.021 -0.387
238 HD3 ARG 33 2HD ARG 33 1.338 9.564 1.281
239 HE ARG 33 HE ARG 33 2.775 11.798 1.046
240 HH11 ARG 33 1HH1 ARG 33 -0.500 11.076 0.112
241 HH12 ARG 33 2HH1 ARG 33 -1.060 12.700 0.336
242 HH21 ARG 33 1HH2 ARG 33 2.050 13.940 1.344
243 HH22 ARG 33 2HH2 ARG 33 0.391 14.329 1.036
244 H ILE 34 H ILE 34 5.065 7.133 -0.214
245 HA ILE 34 HA ILE 34 6.878 8.805 1.176
246 HB ILE 34 HB ILE 34 6.332 5.852 1.271
247 HG12 ILE 34 1HG1 ILE 34 5.876 6.756 3.746
248 HG13 ILE 34 2HG1 ILE 34 5.637 8.264 2.871
249 HG21 ILE 34 1HG2 ILE 34 7.878 5.641 3.128
250 HG22 ILE 34 2HG2 ILE 34 8.731 6.188 1.686
251 HG23 ILE 34 3HG2 ILE 34 8.337 7.336 2.965
252 HD11 ILE 34 3HD1 ILE 34 4.104 6.740 1.366
253 HD12 ILE 34 1HD1 ILE 34 4.031 5.774 2.839
254 HD13 ILE 34 2HD1 ILE 34 3.514 7.460 2.863
255 H HIS 35 H HIS 35 7.367 6.104 -1.080
256 HA HIS 35 HA HIS 35 10.205 6.235 -1.010
257 HB2 HIS 35 1HB HIS 35 8.480 5.088 -3.211
258 HB3 HIS 35 2HB HIS 35 10.156 4.682 -2.854
259 HD1 HIS 35 HD1 HIS 35 10.323 3.802 -0.129
260 HD2 HIS 35 HD2 HIS 35 6.844 3.155 -2.306
261 HE1 HIS 35 HE1 HIS 35 9.135 1.923 1.046
262 H THR 36 H THR 36 7.736 7.695 -3.043
263 HA THR 36 HA THR 36 9.490 8.713 -5.024
264 HB THR 36 HB THR 36 7.647 10.078 -5.768
265 HG1 THR 36 HG1 THR 36 5.725 10.183 -4.465
266 HG21 THR 36 3HG2 THR 36 6.993 7.297 -4.874
267 HG22 THR 36 1HG2 THR 36 7.274 7.909 -6.503
268 HG23 THR 36 2HG2 THR 36 5.765 8.281 -5.669
269 H GLY 37 H GLY 37 8.229 10.018 -1.994
270 HA2 GLY 37 1HA GLY 37 9.341 12.632 -2.395
271 HA3 GLY 37 2HA GLY 37 8.661 12.006 -0.900
272 H GLU 38 H GLU 38 10.285 9.804 -0.466
273 HA GLU 38 HA GLU 38 12.343 10.701 1.018
274 HB2 GLU 38 1HB GLU 38 12.051 8.172 -0.566
275 HB3 GLU 38 2HB GLU 38 13.527 8.475 0.340
276 HG2 GLU 38 1HG GLU 38 10.818 8.617 1.616
277 HG3 GLU 38 2HG GLU 38 11.718 7.107 1.478
278 H LYS 39 H LYS 39 14.552 11.100 0.781
279 HA LYS 39 HA LYS 39 15.396 12.661 -1.292
280 HB2 LYS 39 1HB LYS 39 17.665 12.305 -0.529
281 HB3 LYS 39 2HB LYS 39 16.590 12.392 0.861
282 HG2 LYS 39 1HG LYS 39 16.587 9.914 0.949
283 HG3 LYS 39 2HG LYS 39 17.780 9.907 -0.352
284 HD2 LYS 39 1HD LYS 39 18.354 11.572 2.040
285 HD3 LYS 39 2HD LYS 39 18.477 9.819 2.212
286 HE2 LYS 39 1HE LYS 39 20.632 10.531 1.603
287 HE3 LYS 39 2HE LYS 39 19.929 9.873 0.126
288 HZ1 LYS 39 3HZ LYS 39 19.663 11.968 -0.780
289 HZ2 LYS 39 1HZ LYS 39 21.145 12.114 0.023
290 HZ3 LYS 39 2HZ LYS 39 19.741 12.755 0.716
291 HA PRO 40 HA PRO 40 15.922 9.981 -4.757
292 HB2 PRO 40 1HB PRO 40 17.500 11.599 -6.260
293 HB3 PRO 40 2HB PRO 40 15.768 11.877 -6.045
294 HG2 PRO 40 1HG PRO 40 18.081 13.169 -4.652
295 HG3 PRO 40 2HG PRO 40 16.602 13.912 -5.289
296 HD2 PRO 40 1HD PRO 40 16.936 13.353 -2.661
297 HD3 PRO 40 2HD PRO 40 15.350 13.290 -3.456
298 H SER 41 H SER 41 17.441 8.599 -5.667
299 HA SER 41 HA SER 41 19.836 8.202 -4.096
300 HB2 SER 41 1HB SER 41 18.474 6.267 -4.750
301 HB3 SER 41 2HB SER 41 18.745 6.642 -6.452
302 HG SER 41 HG SER 41 21.057 6.447 -5.003
303 H GLY 42 H GLY 42 20.053 10.597 -5.377
304 HA2 GLY 42 1HA GLY 42 22.445 10.195 -6.921
305 HA3 GLY 42 2HA GLY 42 21.104 10.792 -7.888
306 HA PRO 43 HA PRO 43 22.150 14.895 -6.754
307 HB2 PRO 43 1HB PRO 43 19.720 16.097 -6.900
308 HB3 PRO 43 2HB PRO 43 20.626 15.585 -8.329
309 HG2 PRO 43 1HG PRO 43 18.362 14.214 -6.929
310 HG3 PRO 43 2HG PRO 43 18.642 14.421 -8.668
311 HD2 PRO 43 1HD PRO 43 19.203 12.114 -7.367
312 HD3 PRO 43 2HD PRO 43 20.146 12.677 -8.762
313 H SER 44 H SER 44 22.739 14.409 -4.553
314 HA SER 44 HA SER 44 21.259 14.008 -2.349
315 HB2 SER 44 1HB SER 44 23.568 15.936 -2.654
316 HB3 SER 44 2HB SER 44 22.902 15.455 -1.094
317 HG SER 44 HG SER 44 24.604 14.119 -2.725
318 H SER 45 H SER 45 20.112 15.226 -0.830
319 HA SER 45 HA SER 45 18.379 17.171 -1.854
320 HB2 SER 45 1HB SER 45 17.782 15.797 0.073
321 HB3 SER 45 2HB SER 45 19.061 16.546 1.029
322 HG SER 45 HG SER 45 17.271 18.297 -0.138
323 H GLY 46 H GLY 46 18.537 19.308 -2.104
324 HA2 GLY 46 1HA GLY 46 19.533 21.256 -0.578
325 HA3 GLY 46 2HA GLY 46 21.006 20.619 -1.295
Start of MODEL 18
1 H1 GLY 1 H GLY 1 15.944 -15.789 -7.060
2 HA2 GLY 1 1HA GLY 1 14.459 -17.136 -5.936
3 HA3 GLY 1 2HA GLY 1 14.172 -15.710 -4.950
4 H SER 2 H SER 2 12.463 -17.957 -6.203
5 HA SER 2 HA SER 2 10.265 -16.180 -6.940
6 HB2 SER 2 1HB SER 2 9.679 -17.468 -8.911
7 HB3 SER 2 2HB SER 2 11.346 -16.914 -9.065
8 HG SER 2 HG SER 2 10.669 -19.467 -8.046
9 H SER 3 H SER 3 8.188 -17.083 -6.630
10 HA SER 3 HA SER 3 7.743 -18.527 -4.380
11 HB2 SER 3 1HB SER 3 6.118 -18.222 -6.885
12 HB3 SER 3 2HB SER 3 5.539 -19.262 -5.584
13 HG SER 3 HG SER 3 4.989 -16.862 -5.642
14 H GLY 4 H GLY 4 8.611 -20.420 -3.826
15 HA2 GLY 4 1HA GLY 4 9.337 -22.430 -5.713
16 HA3 GLY 4 2HA GLY 4 9.364 -22.591 -3.963
17 H SER 5 H SER 5 8.233 -24.110 -6.484
18 HA SER 5 HA SER 5 6.390 -25.358 -7.023
19 HB2 SER 5 1HB SER 5 5.753 -26.892 -5.323
20 HB3 SER 5 2HB SER 5 7.435 -26.483 -4.985
21 HG SER 5 HG SER 5 5.547 -26.357 -3.284
22 H SER 6 H SER 6 5.736 -22.670 -6.928
23 HA SER 6 HA SER 6 4.016 -21.187 -6.673
24 HB2 SER 6 1HB SER 6 3.029 -22.806 -8.256
25 HB3 SER 6 2HB SER 6 2.386 -23.731 -6.899
26 HG SER 6 HG SER 6 1.321 -21.612 -8.114
27 H GLY 7 H GLY 7 5.136 -21.891 -4.229
28 HA2 GLY 7 1HA GLY 7 3.597 -22.856 -2.202
29 HA3 GLY 7 2HA GLY 7 4.673 -21.480 -2.006
30 H ALA 8 H ALA 8 3.823 -19.359 -2.214
31 HA ALA 8 HA ALA 8 0.891 -19.169 -2.186
32 HB1 ALA 8 3HB ALA 8 1.482 -17.273 -0.382
33 HB2 ALA 8 1HB ALA 8 1.085 -18.936 0.053
34 HB3 ALA 8 2HB ALA 8 2.771 -18.425 -0.035
35 H GLY 9 H GLY 9 0.030 -17.228 -2.951
36 HA2 GLY 9 1HA GLY 9 1.744 -15.035 -3.699
37 HA3 GLY 9 2HA GLY 9 1.190 -15.982 -5.072
38 H LYS 10 H LYS 10 -1.113 -16.150 -5.435
39 HA LYS 10 HA LYS 10 -2.967 -14.861 -5.984
40 HB2 LYS 10 1HB LYS 10 -4.578 -15.036 -4.262
41 HB3 LYS 10 2HB LYS 10 -3.485 -16.394 -4.024
42 HG2 LYS 10 1HG LYS 10 -2.273 -14.770 -2.386
43 HG3 LYS 10 2HG LYS 10 -3.822 -13.923 -2.390
44 HD2 LYS 10 1HD LYS 10 -3.887 -15.442 -0.570
45 HD3 LYS 10 2HD LYS 10 -4.899 -16.137 -1.838
46 HE2 LYS 10 1HE LYS 10 -3.127 -17.643 -2.482
47 HE3 LYS 10 2HE LYS 10 -2.019 -16.883 -1.341
48 HZ1 LYS 10 3HZ LYS 10 -2.837 -18.072 0.339
49 HZ2 LYS 10 1HZ LYS 10 -3.549 -19.059 -0.836
50 HZ3 LYS 10 2HZ LYS 10 -4.445 -17.816 -0.120
51 H LYS 11 H LYS 11 -0.749 -13.148 -5.757
52 HA LYS 11 HA LYS 11 -1.692 -10.856 -4.209
53 HB2 LYS 11 1HB LYS 11 0.761 -11.709 -4.309
54 HB3 LYS 11 2HB LYS 11 0.812 -10.893 -5.866
55 HG2 LYS 11 1HG LYS 11 1.685 -9.386 -4.271
56 HG3 LYS 11 2HG LYS 11 0.070 -8.806 -4.685
57 HD2 LYS 11 1HD LYS 11 0.365 -8.660 -2.300
58 HD3 LYS 11 2HD LYS 11 -0.799 -9.940 -2.653
59 HE2 LYS 11 1HE LYS 11 0.882 -11.628 -2.314
60 HE3 LYS 11 2HE LYS 11 2.135 -10.401 -2.135
61 HZ1 LYS 11 3HZ LYS 11 0.947 -9.600 -0.148
62 HZ2 LYS 11 1HZ LYS 11 1.489 -11.194 0.015
63 HZ3 LYS 11 2HZ LYS 11 -0.144 -10.884 -0.296
64 H LEU 12 H LEU 12 -2.010 -8.796 -5.153
65 HA LEU 12 HA LEU 12 -2.424 -8.816 -8.068
66 HB2 LEU 12 1HB LEU 12 -4.256 -7.000 -7.011
67 HB3 LEU 12 2HB LEU 12 -4.600 -8.565 -7.744
68 HG LEU 12 HG LEU 12 -5.721 -8.272 -5.578
69 HD11 LEU 12 1HD1 LEU 12 -3.799 -10.337 -4.840
70 HD12 LEU 12 2HD1 LEU 12 -4.384 -10.477 -6.497
71 HD13 LEU 12 3HD1 LEU 12 -5.530 -10.455 -5.156
72 HD21 LEU 12 3HD2 LEU 12 -4.664 -7.264 -3.909
73 HD22 LEU 12 1HD2 LEU 12 -3.145 -7.299 -4.804
74 HD23 LEU 12 2HD2 LEU 12 -3.593 -8.661 -3.777
75 H PHE 13 H PHE 13 -1.351 -7.155 -5.239
76 HA PHE 13 HA PHE 13 -0.325 -4.991 -6.938
77 HB2 PHE 13 1HB PHE 13 -1.725 -4.677 -4.279
78 HB3 PHE 13 2HB PHE 13 -0.761 -3.406 -5.023
79 HD1 PHE 13 HD1 PHE 13 -3.661 -5.636 -5.689
80 HD2 PHE 13 HD2 PHE 13 -1.752 -1.917 -6.489
81 HE1 PHE 13 HE1 PHE 13 -5.628 -4.907 -6.976
82 HE2 PHE 13 HE2 PHE 13 -3.715 -1.182 -7.776
83 HZ PHE 13 HZ PHE 13 -5.657 -2.677 -8.020
84 H LYS 14 H LYS 14 1.770 -4.544 -6.631
85 HA LYS 14 HA LYS 14 3.060 -5.393 -4.137
86 HB2 LYS 14 1HB LYS 14 4.955 -6.327 -5.402
87 HB3 LYS 14 2HB LYS 14 3.458 -7.190 -5.730
88 HG2 LYS 14 1HG LYS 14 3.317 -6.409 -7.884
89 HG3 LYS 14 2HG LYS 14 4.282 -4.972 -7.540
90 HD2 LYS 14 1HD LYS 14 5.530 -7.681 -7.341
91 HD3 LYS 14 2HD LYS 14 5.306 -6.934 -8.924
92 HE2 LYS 14 1HE LYS 14 6.517 -4.931 -8.077
93 HE3 LYS 14 2HE LYS 14 6.843 -5.812 -6.585
94 HZ1 LYS 14 3HZ LYS 14 7.579 -7.232 -8.985
95 HZ2 LYS 14 1HZ LYS 14 8.450 -7.002 -7.552
96 HZ3 LYS 14 2HZ LYS 14 8.448 -5.801 -8.743
97 H CYS 15 H CYS 15 4.552 -3.998 -3.375
98 HA CYS 15 HA CYS 15 4.791 -1.435 -4.640
99 HB2 CYS 15 1HB CYS 15 4.787 -2.118 -2.078
100 HB3 CYS 15 2HB CYS 15 6.526 -2.217 -2.339
101 H ASN 16 H ASN 16 6.371 -0.693 -5.911
102 HA ASN 16 HA ASN 16 8.412 -2.491 -6.822
103 HB2 ASN 16 1HB ASN 16 7.106 -0.565 -8.090
104 HB3 ASN 16 2HB ASN 16 8.454 0.413 -7.517
105 HD21 ASN 16 1HD2 ASN 16 9.507 0.762 -9.382
106 HD22 ASN 16 2HD2 ASN 16 10.182 -0.482 -10.373
107 H GLU 17 H GLU 17 8.284 -1.072 -4.015
108 HA GLU 17 HA GLU 17 11.139 -0.346 -3.987
109 HB2 GLU 17 1HB GLU 17 9.015 0.772 -2.154
110 HB3 GLU 17 2HB GLU 17 10.700 1.262 -2.242
111 HG2 GLU 17 1HG GLU 17 9.021 1.483 -4.685
112 HG3 GLU 17 2HG GLU 17 8.809 2.664 -3.393
113 H CYS 18 H CYS 18 8.449 -1.704 -2.126
114 HA CYS 18 HA CYS 18 10.397 -3.359 -0.673
115 HB2 CYS 18 1HB CYS 18 9.151 -3.091 1.394
116 HB3 CYS 18 2HB CYS 18 9.631 -1.509 0.787
117 H LYS 19 H LYS 19 8.532 -3.759 -2.993
118 HA LYS 19 HA LYS 19 6.791 -5.143 -3.654
119 HB2 LYS 19 1HB LYS 19 8.856 -6.818 -2.257
120 HB3 LYS 19 2HB LYS 19 7.451 -7.568 -3.002
121 HG2 LYS 19 1HG LYS 19 8.981 -7.705 -4.698
122 HG3 LYS 19 2HG LYS 19 8.180 -6.181 -5.091
123 HD2 LYS 19 1HD LYS 19 10.062 -5.149 -3.597
124 HD3 LYS 19 2HD LYS 19 10.900 -6.662 -3.950
125 HE2 LYS 19 1HE LYS 19 9.743 -4.852 -6.063
126 HE3 LYS 19 2HE LYS 19 11.415 -4.768 -5.513
127 HZ1 LYS 19 3HZ LYS 19 10.193 -6.608 -7.326
128 HZ2 LYS 19 1HZ LYS 19 11.032 -7.405 -6.091
129 HZ3 LYS 19 2HZ LYS 19 11.832 -6.280 -7.068
130 H LYS 20 H LYS 20 5.631 -3.841 -1.704
131 HA LYS 20 HA LYS 20 4.468 -5.887 0.070
132 HB2 LYS 20 1HB LYS 20 5.627 -4.128 1.308
133 HB3 LYS 20 2HB LYS 20 4.678 -2.899 0.483
134 HG2 LYS 20 1HG LYS 20 2.749 -3.416 1.652
135 HG3 LYS 20 2HG LYS 20 3.321 -5.030 2.078
136 HD2 LYS 20 1HD LYS 20 4.869 -2.703 3.084
137 HD3 LYS 20 2HD LYS 20 3.302 -3.030 3.827
138 HE2 LYS 20 1HE LYS 20 4.798 -4.237 5.142
139 HE3 LYS 20 2HE LYS 20 4.140 -5.449 4.044
140 HZ1 LYS 20 3HZ LYS 20 6.578 -5.567 4.309
141 HZ2 LYS 20 1HZ LYS 20 6.711 -4.030 3.613
142 HZ3 LYS 20 2HZ LYS 20 6.099 -5.320 2.706
143 H THR 21 H THR 21 2.181 -5.657 0.563
144 HA THR 21 HA THR 21 0.673 -4.300 -1.574
145 HB THR 21 HB THR 21 0.676 -6.710 -2.002
146 HG1 THR 21 HG1 THR 21 -1.851 -5.864 -0.989
147 HG21 THR 21 3HG2 THR 21 1.022 -7.479 0.304
148 HG22 THR 21 1HG2 THR 21 -0.369 -8.267 -0.438
149 HG23 THR 21 2HG2 THR 21 -0.611 -6.958 0.720
150 H PHE 22 H PHE 22 -1.658 -3.975 -0.995
151 HA PHE 22 HA PHE 22 -2.128 -3.713 1.881
152 HB2 PHE 22 1HB PHE 22 -2.467 -1.445 -0.093
153 HB3 PHE 22 2HB PHE 22 -2.953 -1.405 1.599
154 HD1 PHE 22 HD1 PHE 22 0.061 -2.068 -0.493
155 HD2 PHE 22 HD2 PHE 22 -1.513 -0.476 3.127
156 HE1 PHE 22 HE1 PHE 22 2.304 -1.266 0.125
157 HE2 PHE 22 HE2 PHE 22 0.727 0.329 3.751
158 HZ PHE 22 HZ PHE 22 2.639 -0.064 2.249
159 H THR 23 H THR 23 -4.173 -4.161 2.471
160 HA THR 23 HA THR 23 -5.938 -5.608 1.107
161 HB THR 23 HB THR 23 -6.817 -3.342 2.906
162 HG1 THR 23 HG1 THR 23 -6.095 -6.026 3.552
163 HG21 THR 23 3HG2 THR 23 -8.262 -5.382 1.506
164 HG22 THR 23 1HG2 THR 23 -8.880 -4.112 2.562
165 HG23 THR 23 2HG2 THR 23 -8.386 -5.662 3.242
166 H GLN 24 H GLN 24 -5.654 -2.103 0.838
167 HA GLN 24 HA GLN 24 -7.479 -2.208 -1.473
168 HB2 GLN 24 1HB GLN 24 -7.147 -0.085 0.637
169 HB3 GLN 24 2HB GLN 24 -7.881 0.265 -0.923
170 HG2 GLN 24 1HG GLN 24 -9.729 -1.062 -0.499
171 HG3 GLN 24 2HG GLN 24 -8.903 -1.985 0.756
172 HE21 GLN 24 1HE2 GLN 24 -10.716 -1.586 2.107
173 HE22 GLN 24 2HE2 GLN 24 -10.897 -0.069 2.913
174 H SER 25 H SER 25 -6.908 -1.076 -3.313
175 HA SER 25 HA SER 25 -4.188 -0.854 -3.905
176 HB2 SER 25 1HB SER 25 -6.379 0.634 -5.357
177 HB3 SER 25 2HB SER 25 -4.852 0.045 -6.014
178 HG SER 25 HG SER 25 -5.717 -2.113 -5.375
179 H SER 26 H SER 26 -6.568 1.686 -3.184
180 HA SER 26 HA SER 26 -4.990 3.920 -3.505
181 HB2 SER 26 1HB SER 26 -6.460 4.969 -1.732
182 HB3 SER 26 2HB SER 26 -7.325 4.195 -3.060
183 HG SER 26 HG SER 26 -6.901 2.374 -1.173
184 H SER 27 H SER 27 -5.056 1.639 -0.847
185 HA SER 27 HA SER 27 -3.573 3.141 1.016
186 HB2 SER 27 1HB SER 27 -3.820 0.144 0.674
187 HB3 SER 27 2HB SER 27 -3.091 0.931 2.074
188 HG SER 27 HG SER 27 -5.338 2.109 1.909
189 H LEU 28 H LEU 28 -2.576 0.827 -1.474
190 HA LEU 28 HA LEU 28 0.175 0.842 -0.842
191 HB2 LEU 28 1HB LEU 28 -0.536 -0.944 -2.155
192 HB3 LEU 28 2HB LEU 28 -1.411 0.103 -3.270
193 HG LEU 28 HG LEU 28 0.681 0.857 -4.245
194 HD11 LEU 28 1HD1 LEU 28 2.280 0.876 -2.584
195 HD12 LEU 28 2HD1 LEU 28 2.752 -0.539 -3.524
196 HD13 LEU 28 3HD1 LEU 28 1.862 -0.741 -2.015
197 HD21 LEU 28 3HD2 LEU 28 -0.468 -1.285 -4.974
198 HD22 LEU 28 1HD2 LEU 28 0.783 -2.143 -4.074
199 HD23 LEU 28 2HD2 LEU 28 1.227 -1.105 -5.430
200 H THR 29 H THR 29 -1.731 2.697 -3.190
201 HA THR 29 HA THR 29 0.290 4.073 -4.473
202 HB THR 29 HB THR 29 -2.447 5.116 -3.717
203 HG1 THR 29 HG1 THR 29 -2.485 3.235 -5.029
204 HG21 THR 29 3HG2 THR 29 -0.913 6.081 -6.086
205 HG22 THR 29 1HG2 THR 29 -0.520 6.737 -4.497
206 HG23 THR 29 2HG2 THR 29 -2.155 6.900 -5.138
207 H VAL 30 H VAL 30 -1.614 5.350 -1.734
208 HA VAL 30 HA VAL 30 -0.077 7.608 -1.253
209 HB VAL 30 HB VAL 30 -2.276 7.205 -0.215
210 HG11 VAL 30 1HG1 VAL 30 -2.420 5.802 1.804
211 HG12 VAL 30 2HG1 VAL 30 -2.029 4.864 0.361
212 HG13 VAL 30 3HG1 VAL 30 -0.765 5.260 1.526
213 HG21 VAL 30 3HG2 VAL 30 -0.559 7.576 2.153
214 HG22 VAL 30 1HG2 VAL 30 -0.224 8.635 0.783
215 HG23 VAL 30 2HG2 VAL 30 -1.834 8.605 1.503
216 H HIS 31 H HIS 31 0.384 4.298 -0.163
217 HA HIS 31 HA HIS 31 2.416 4.830 1.733
218 HB2 HIS 31 1HB HIS 31 1.482 2.728 2.004
219 HB3 HIS 31 2HB HIS 31 1.466 2.396 0.275
220 HD1 HIS 31 HD1 HIS 31 3.694 2.276 3.281
221 HD2 HIS 31 HD2 HIS 31 3.796 1.248 -0.743
222 HE1 HIS 31 HE1 HIS 31 5.758 0.867 2.999
223 H GLN 32 H GLN 32 2.419 4.451 -1.728
224 HA GLN 32 HA GLN 32 5.164 3.919 -2.092
225 HB2 GLN 32 1HB GLN 32 3.111 3.867 -3.759
226 HB3 GLN 32 2HB GLN 32 3.642 5.506 -4.111
227 HG2 GLN 32 1HG GLN 32 4.695 4.164 -5.706
228 HG3 GLN 32 2HG GLN 32 5.941 4.520 -4.512
229 HE21 GLN 32 1HE2 GLN 32 3.309 2.146 -4.670
230 HE22 GLN 32 2HE2 GLN 32 4.311 0.763 -4.410
231 H ARG 33 H ARG 33 3.347 6.894 -1.692
232 HA ARG 33 HA ARG 33 5.186 8.771 -2.545
233 HB2 ARG 33 1HB ARG 33 3.340 8.975 -0.158
234 HB3 ARG 33 2HB ARG 33 4.107 10.329 -0.977
235 HG2 ARG 33 1HG ARG 33 2.774 10.105 -2.867
236 HG3 ARG 33 2HG ARG 33 2.329 8.443 -2.471
237 HD2 ARG 33 1HD ARG 33 0.408 9.577 -1.903
238 HD3 ARG 33 2HD ARG 33 1.257 9.533 -0.359
239 HE ARG 33 HE ARG 33 0.751 11.859 -2.010
240 HH11 ARG 33 1HH1 ARG 33 2.534 10.489 0.647
241 HH12 ARG 33 2HH1 ARG 33 2.905 12.025 1.360
242 HH21 ARG 33 1HH2 ARG 33 1.232 13.886 -1.082
243 HH22 ARG 33 2HH2 ARG 33 2.163 13.956 0.376
244 H ILE 34 H ILE 34 5.269 6.742 0.256
245 HA ILE 34 HA ILE 34 7.065 8.235 1.842
246 HB ILE 34 HB ILE 34 6.328 5.329 1.749
247 HG12 ILE 34 1HG1 ILE 34 5.815 6.094 4.241
248 HG13 ILE 34 2HG1 ILE 34 5.796 7.689 3.497
249 HG21 ILE 34 1HG2 ILE 34 8.635 5.224 2.300
250 HG22 ILE 34 2HG2 ILE 34 8.501 6.593 3.402
251 HG23 ILE 34 3HG2 ILE 34 7.740 5.056 3.811
252 HD11 ILE 34 3HD1 ILE 34 3.595 7.114 3.349
253 HD12 ILE 34 1HD1 ILE 34 4.183 6.528 1.793
254 HD13 ILE 34 2HD1 ILE 34 3.941 5.399 3.127
255 H HIS 35 H HIS 35 7.571 5.724 -0.605
256 HA HIS 35 HA HIS 35 10.416 5.696 -0.292
257 HB2 HIS 35 1HB HIS 35 8.800 4.685 -2.638
258 HB3 HIS 35 2HB HIS 35 10.437 4.212 -2.195
259 HD1 HIS 35 HD1 HIS 35 10.491 3.114 0.395
260 HD2 HIS 35 HD2 HIS 35 6.969 2.896 -1.798
261 HE1 HIS 35 HE1 HIS 35 9.154 1.266 1.453
262 H THR 36 H THR 36 8.135 7.337 -2.397
263 HA THR 36 HA THR 36 9.992 8.328 -4.276
264 HB THR 36 HB THR 36 8.274 9.903 -4.943
265 HG1 THR 36 HG1 THR 36 7.641 9.980 -2.445
266 HG21 THR 36 3HG2 THR 36 6.270 8.227 -4.995
267 HG22 THR 36 1HG2 THR 36 7.437 7.106 -4.294
268 HG23 THR 36 2HG2 THR 36 7.757 7.845 -5.863
269 H GLY 37 H GLY 37 8.989 9.440 -1.113
270 HA2 GLY 37 1HA GLY 37 10.436 11.959 -1.440
271 HA3 GLY 37 2HA GLY 37 9.435 11.507 -0.068
272 H GLU 38 H GLU 38 12.023 9.579 -1.497
273 HA GLU 38 HA GLU 38 13.677 10.091 0.874
274 HB2 GLU 38 1HB GLU 38 12.658 7.463 -0.122
275 HB3 GLU 38 2HB GLU 38 14.251 7.531 0.619
276 HG2 GLU 38 1HG GLU 38 11.670 8.402 1.898
277 HG3 GLU 38 2HG GLU 38 12.547 6.910 2.234
278 H LYS 39 H LYS 39 15.939 9.451 0.593
279 HA LYS 39 HA LYS 39 16.763 9.502 -2.237
280 HB2 LYS 39 1HB LYS 39 18.637 10.899 -1.655
281 HB3 LYS 39 2HB LYS 39 17.167 11.657 -1.057
282 HG2 LYS 39 1HG LYS 39 17.655 10.765 1.188
283 HG3 LYS 39 2HG LYS 39 19.166 10.096 0.567
284 HD2 LYS 39 1HD LYS 39 19.772 12.444 -0.139
285 HD3 LYS 39 2HD LYS 39 18.376 12.994 0.792
286 HE2 LYS 39 1HE LYS 39 19.310 12.273 2.820
287 HE3 LYS 39 2HE LYS 39 20.502 11.258 2.010
288 HZ1 LYS 39 3HZ LYS 39 20.757 13.986 1.237
289 HZ2 LYS 39 1HZ LYS 39 21.915 12.947 1.904
290 HZ3 LYS 39 2HZ LYS 39 20.877 13.819 2.916
291 HA PRO 40 HA PRO 40 19.013 5.814 -1.393
292 HB2 PRO 40 1HB PRO 40 20.847 5.960 -3.390
293 HB3 PRO 40 2HB PRO 40 19.150 5.554 -3.672
294 HG2 PRO 40 1HG PRO 40 20.554 8.175 -4.018
295 HG3 PRO 40 2HG PRO 40 19.367 7.394 -5.078
296 HD2 PRO 40 1HD PRO 40 18.706 9.390 -3.372
297 HD3 PRO 40 2HD PRO 40 17.581 8.084 -3.795
298 H SER 41 H SER 41 20.983 5.067 -0.551
299 HA SER 41 HA SER 41 22.333 6.511 1.262
300 HB2 SER 41 1HB SER 41 24.203 4.943 1.068
301 HB3 SER 41 2HB SER 41 22.669 4.089 0.905
302 HG SER 41 HG SER 41 24.192 4.992 -1.307
303 H GLY 42 H GLY 42 23.806 8.102 1.354
304 HA2 GLY 42 1HA GLY 42 25.669 8.637 -0.749
305 HA3 GLY 42 2HA GLY 42 24.344 9.791 -0.748
306 HA PRO 43 HA PRO 43 27.658 10.519 2.707
307 HB2 PRO 43 1HB PRO 43 29.688 11.721 1.363
308 HB3 PRO 43 2HB PRO 43 29.632 9.980 1.662
309 HG2 PRO 43 1HG PRO 43 28.894 11.502 -0.807
310 HG3 PRO 43 2HG PRO 43 29.803 9.988 -0.657
311 HD2 PRO 43 1HD PRO 43 27.183 10.052 -1.338
312 HD3 PRO 43 2HD PRO 43 27.895 8.720 -0.404
313 H SER 44 H SER 44 28.832 12.818 3.009
314 HA SER 44 HA SER 44 28.272 14.972 3.579
315 HB2 SER 44 1HB SER 44 28.176 14.834 0.582
316 HB3 SER 44 2HB SER 44 27.829 16.353 1.407
317 HG SER 44 HG SER 44 30.027 16.231 0.934
318 H SER 45 H SER 45 26.113 13.336 4.076
319 HA SER 45 HA SER 45 23.718 14.287 2.853
320 HB2 SER 45 1HB SER 45 24.254 12.656 5.336
321 HB3 SER 45 2HB SER 45 22.624 13.098 4.828
322 HG SER 45 HG SER 45 23.386 11.016 4.060
323 H GLY 46 H GLY 46 21.945 15.330 4.096
324 HA2 GLY 46 1HA GLY 46 23.047 17.580 5.624
325 HA3 GLY 46 2HA GLY 46 21.478 17.542 4.832
Start of MODEL 19
1 H1 GLY 1 H GLY 1 8.187 -29.916 2.161
2 HA2 GLY 1 1HA GLY 1 10.444 -30.625 0.593
3 HA3 GLY 1 2HA GLY 1 9.072 -30.273 -0.448
4 H SER 2 H SER 2 9.770 -28.394 -1.350
5 HA SER 2 HA SER 2 10.213 -26.146 0.504
6 HB2 SER 2 1HB SER 2 11.575 -26.773 -2.115
7 HB3 SER 2 2HB SER 2 11.609 -25.162 -1.399
8 HG SER 2 HG SER 2 12.648 -26.019 0.397
9 H SER 3 H SER 3 9.895 -23.982 -0.739
10 HA SER 3 HA SER 3 8.191 -22.584 -1.406
11 HB2 SER 3 1HB SER 3 7.900 -22.601 -3.771
12 HB3 SER 3 2HB SER 3 9.529 -23.212 -3.478
13 HG SER 3 HG SER 3 8.840 -25.260 -3.912
14 H GLY 4 H GLY 4 7.142 -24.577 0.222
15 HA2 GLY 4 1HA GLY 4 4.805 -25.694 -1.089
16 HA3 GLY 4 2HA GLY 4 5.257 -25.901 0.597
17 H SER 5 H SER 5 2.719 -25.530 0.367
18 HA SER 5 HA SER 5 1.625 -23.024 -0.003
19 HB2 SER 5 1HB SER 5 0.162 -24.886 0.314
20 HB3 SER 5 2HB SER 5 0.841 -25.233 1.904
21 HG SER 5 HG SER 5 -0.743 -23.008 1.145
22 H SER 6 H SER 6 2.303 -21.173 0.847
23 HA SER 6 HA SER 6 2.424 -20.882 3.727
24 HB2 SER 6 1HB SER 6 4.840 -20.614 1.958
25 HB3 SER 6 2HB SER 6 4.704 -19.664 3.438
26 HG SER 6 HG SER 6 5.785 -21.727 3.677
27 H GLY 7 H GLY 7 1.866 -18.865 4.391
28 HA2 GLY 7 1HA GLY 7 1.267 -16.643 4.278
29 HA3 GLY 7 2HA GLY 7 2.135 -16.542 2.753
30 H ALA 8 H ALA 8 0.671 -15.451 1.539
31 HA ALA 8 HA ALA 8 -1.756 -16.913 0.829
32 HB1 ALA 8 3HB ALA 8 -2.864 -14.507 0.838
33 HB2 ALA 8 1HB ALA 8 -2.864 -15.539 2.268
34 HB3 ALA 8 2HB ALA 8 -1.680 -14.240 2.117
35 H GLY 9 H GLY 9 -2.899 -15.621 -1.039
36 HA2 GLY 9 1HA GLY 9 -0.801 -14.597 -2.850
37 HA3 GLY 9 2HA GLY 9 -2.007 -15.755 -3.391
38 H LYS 10 H LYS 10 -3.855 -15.007 -4.227
39 HA LYS 10 HA LYS 10 -5.107 -13.375 -5.296
40 HB2 LYS 10 1HB LYS 10 -6.764 -12.651 -3.855
41 HB3 LYS 10 2HB LYS 10 -6.074 -13.988 -2.945
42 HG2 LYS 10 1HG LYS 10 -4.555 -12.026 -1.984
43 HG3 LYS 10 2HG LYS 10 -5.980 -11.080 -2.417
44 HD2 LYS 10 1HD LYS 10 -7.293 -12.088 -0.849
45 HD3 LYS 10 2HD LYS 10 -6.420 -13.619 -0.946
46 HE2 LYS 10 1HE LYS 10 -4.475 -12.202 0.109
47 HE3 LYS 10 2HE LYS 10 -5.802 -11.169 0.638
48 HZ1 LYS 10 3HZ LYS 10 -5.098 -12.969 2.224
49 HZ2 LYS 10 1HZ LYS 10 -5.760 -14.087 1.140
50 HZ3 LYS 10 2HZ LYS 10 -6.750 -12.922 1.861
51 H LYS 11 H LYS 11 -2.358 -12.564 -5.078
52 HA LYS 11 HA LYS 11 -2.347 -9.792 -4.268
53 HB2 LYS 11 1HB LYS 11 -0.396 -11.633 -4.359
54 HB3 LYS 11 2HB LYS 11 -0.146 -10.889 -5.933
55 HG2 LYS 11 1HG LYS 11 -0.366 -9.203 -3.474
56 HG3 LYS 11 2HG LYS 11 1.155 -9.992 -3.898
57 HD2 LYS 11 1HD LYS 11 -0.404 -8.128 -5.689
58 HD3 LYS 11 2HD LYS 11 1.025 -7.684 -4.751
59 HE2 LYS 11 1HE LYS 11 2.035 -8.153 -6.735
60 HE3 LYS 11 2HE LYS 11 2.043 -9.771 -6.036
61 HZ1 LYS 11 3HZ LYS 11 0.861 -8.942 -8.419
62 HZ2 LYS 11 1HZ LYS 11 -0.395 -9.366 -7.368
63 HZ3 LYS 11 2HZ LYS 11 0.824 -10.483 -7.722
64 H LEU 12 H LEU 12 -2.327 -8.007 -5.579
65 HA LEU 12 HA LEU 12 -2.804 -8.480 -8.448
66 HB2 LEU 12 1HB LEU 12 -3.971 -6.043 -7.872
67 HB3 LEU 12 2HB LEU 12 -4.805 -7.570 -8.152
68 HG LEU 12 HG LEU 12 -5.688 -6.552 -6.169
69 HD11 LEU 12 1HD1 LEU 12 -5.826 -8.508 -5.123
70 HD12 LEU 12 2HD1 LEU 12 -4.109 -8.499 -4.722
71 HD13 LEU 12 3HD1 LEU 12 -4.645 -9.115 -6.285
72 HD21 LEU 12 3HD2 LEU 12 -4.490 -5.522 -4.563
73 HD22 LEU 12 1HD2 LEU 12 -3.260 -5.427 -5.823
74 HD23 LEU 12 2HD2 LEU 12 -3.190 -6.713 -4.618
75 H PHE 13 H PHE 13 -1.589 -6.202 -6.022
76 HA PHE 13 HA PHE 13 0.328 -5.222 -8.017
77 HB2 PHE 13 1HB PHE 13 0.002 -2.936 -6.756
78 HB3 PHE 13 2HB PHE 13 -1.087 -3.397 -8.061
79 HD1 PHE 13 HD1 PHE 13 -0.775 -3.799 -4.364
80 HD2 PHE 13 HD2 PHE 13 -3.337 -3.155 -7.702
81 HE1 PHE 13 HE1 PHE 13 -2.693 -3.557 -2.841
82 HE2 PHE 13 HE2 PHE 13 -5.258 -2.911 -6.184
83 HZ PHE 13 HZ PHE 13 -4.937 -3.111 -3.750
84 H LYS 14 H LYS 14 2.348 -4.699 -7.235
85 HA LYS 14 HA LYS 14 2.807 -4.971 -4.351
86 HB2 LYS 14 1HB LYS 14 4.630 -6.486 -4.644
87 HB3 LYS 14 2HB LYS 14 3.255 -7.154 -5.513
88 HG2 LYS 14 1HG LYS 14 4.161 -6.521 -7.610
89 HG3 LYS 14 2HG LYS 14 5.411 -5.538 -6.845
90 HD2 LYS 14 1HD LYS 14 5.186 -8.507 -6.412
91 HD3 LYS 14 2HD LYS 14 6.136 -7.805 -7.724
92 HE2 LYS 14 1HE LYS 14 7.734 -8.044 -6.086
93 HE3 LYS 14 2HE LYS 14 7.199 -6.387 -5.807
94 HZ1 LYS 14 3HZ LYS 14 7.196 -8.500 -4.003
95 HZ2 LYS 14 1HZ LYS 14 5.574 -8.157 -4.339
96 HZ3 LYS 14 2HZ LYS 14 6.594 -6.937 -3.765
97 H CYS 15 H CYS 15 4.486 -3.754 -3.539
98 HA CYS 15 HA CYS 15 5.336 -1.543 -5.168
99 HB2 CYS 15 1HB CYS 15 4.740 -1.289 -2.770
100 HB3 CYS 15 2HB CYS 15 6.143 -2.262 -2.342
101 H ASN 16 H ASN 16 7.098 -1.471 -6.382
102 HA ASN 16 HA ASN 16 9.065 -3.587 -6.218
103 HB2 ASN 16 1HB ASN 16 8.438 -1.394 -8.142
104 HB3 ASN 16 2HB ASN 16 10.071 -2.055 -8.144
105 HD21 ASN 16 1HD2 ASN 16 10.314 -3.503 -9.670
106 HD22 ASN 16 2HD2 ASN 16 9.146 -4.675 -10.166
107 H GLU 17 H GLU 17 8.832 -1.580 -4.046
108 HA GLU 17 HA GLU 17 11.597 -0.565 -4.141
109 HB2 GLU 17 1HB GLU 17 9.370 0.732 -2.578
110 HB3 GLU 17 2HB GLU 17 10.963 1.383 -2.935
111 HG2 GLU 17 1HG GLU 17 10.140 1.134 -5.421
112 HG3 GLU 17 2HG GLU 17 8.552 1.210 -4.659
113 H CYS 18 H CYS 18 8.961 -1.566 -1.975
114 HA CYS 18 HA CYS 18 11.006 -2.585 -0.112
115 HB2 CYS 18 1HB CYS 18 9.506 -2.101 1.736
116 HB3 CYS 18 2HB CYS 18 9.776 -0.636 0.798
117 H LYS 19 H LYS 19 8.636 -3.432 -2.251
118 HA LYS 19 HA LYS 19 7.540 -5.368 -2.722
119 HB2 LYS 19 1HB LYS 19 9.718 -6.271 -0.893
120 HB3 LYS 19 2HB LYS 19 8.439 -7.411 -1.288
121 HG2 LYS 19 1HG LYS 19 10.235 -7.762 -2.808
122 HG3 LYS 19 2HG LYS 19 8.913 -7.004 -3.699
123 HD2 LYS 19 1HD LYS 19 10.622 -5.698 -4.442
124 HD3 LYS 19 2HD LYS 19 10.221 -4.799 -2.976
125 HE2 LYS 19 1HE LYS 19 12.171 -7.019 -2.728
126 HE3 LYS 19 2HE LYS 19 12.707 -5.562 -3.563
127 HZ1 LYS 19 3HZ LYS 19 11.429 -5.481 -0.894
128 HZ2 LYS 19 1HZ LYS 19 12.310 -4.261 -1.666
129 HZ3 LYS 19 2HZ LYS 19 13.101 -5.641 -1.093
130 H LYS 20 H LYS 20 6.026 -3.816 -1.257
131 HA LYS 20 HA LYS 20 4.880 -5.573 0.814
132 HB2 LYS 20 1HB LYS 20 5.879 -3.458 1.700
133 HB3 LYS 20 2HB LYS 20 4.722 -2.556 0.731
134 HG2 LYS 20 1HG LYS 20 3.602 -2.577 2.700
135 HG3 LYS 20 2HG LYS 20 2.999 -4.094 2.027
136 HD2 LYS 20 1HD LYS 20 3.616 -4.687 4.189
137 HD3 LYS 20 2HD LYS 20 5.021 -5.163 3.231
138 HE2 LYS 20 1HE LYS 20 5.949 -4.054 5.058
139 HE3 LYS 20 2HE LYS 20 5.937 -2.829 3.790
140 HZ1 LYS 20 3HZ LYS 20 3.513 -2.800 5.278
141 HZ2 LYS 20 1HZ LYS 20 4.615 -1.546 5.001
142 HZ3 LYS 20 2HZ LYS 20 4.847 -2.605 6.300
143 H THR 21 H THR 21 2.585 -5.588 1.006
144 HA THR 21 HA THR 21 1.108 -4.455 -1.263
145 HB THR 21 HB THR 21 -0.182 -6.565 -1.492
146 HG1 THR 21 HG1 THR 21 0.705 -7.252 0.735
147 HG21 THR 21 3HG2 THR 21 1.718 -6.056 -2.988
148 HG22 THR 21 1HG2 THR 21 1.504 -7.788 -2.739
149 HG23 THR 21 2HG2 THR 21 2.790 -6.928 -1.892
150 H PHE 22 H PHE 22 -1.307 -4.665 -0.914
151 HA PHE 22 HA PHE 22 -2.121 -4.795 1.876
152 HB2 PHE 22 1HB PHE 22 -2.776 -2.329 0.268
153 HB3 PHE 22 2HB PHE 22 -3.020 -2.598 1.990
154 HD1 PHE 22 HD1 PHE 22 -0.389 -2.216 -0.596
155 HD2 PHE 22 HD2 PHE 22 -1.394 -1.964 3.533
156 HE1 PHE 22 HE1 PHE 22 1.792 -1.175 -0.132
157 HE2 PHE 22 HE2 PHE 22 0.784 -0.922 4.003
158 HZ PHE 22 HZ PHE 22 2.380 -0.525 2.170
159 H THR 23 H THR 23 -4.404 -4.944 2.162
160 HA THR 23 HA THR 23 -5.737 -6.582 0.399
161 HB THR 23 HB THR 23 -7.015 -4.620 2.314
162 HG1 THR 23 HG1 THR 23 -5.810 -5.907 3.581
163 HG21 THR 23 3HG2 THR 23 -8.945 -6.034 2.266
164 HG22 THR 23 1HG2 THR 23 -8.119 -7.222 1.260
165 HG23 THR 23 2HG2 THR 23 -8.534 -5.641 0.597
166 H GLN 24 H GLN 24 -5.675 -3.066 0.502
167 HA GLN 24 HA GLN 24 -7.242 -3.029 -1.993
168 HB2 GLN 24 1HB GLN 24 -7.124 -0.973 0.216
169 HB3 GLN 24 2HB GLN 24 -7.897 -0.700 -1.340
170 HG2 GLN 24 1HG GLN 24 -8.684 -2.986 0.431
171 HG3 GLN 24 2HG GLN 24 -9.372 -1.374 0.625
172 HE21 GLN 24 1HE2 GLN 24 -11.270 -2.930 0.173
173 HE22 GLN 24 2HE2 GLN 24 -11.777 -3.013 -1.477
174 H SER 25 H SER 25 -6.790 -0.976 -3.298
175 HA SER 25 HA SER 25 -3.953 -0.890 -3.798
176 HB2 SER 25 1HB SER 25 -4.493 0.293 -5.791
177 HB3 SER 25 2HB SER 25 -5.769 -0.907 -5.585
178 HG SER 25 HG SER 25 -5.875 1.870 -5.051
179 H SER 26 H SER 26 -6.448 1.450 -2.836
180 HA SER 26 HA SER 26 -5.130 3.795 -2.750
181 HB2 SER 26 1HB SER 26 -7.486 3.232 -1.879
182 HB3 SER 26 2HB SER 26 -6.699 2.909 -0.333
183 HG SER 26 HG SER 26 -7.418 5.065 -0.461
184 H SER 27 H SER 27 -4.768 1.175 -0.403
185 HA SER 27 HA SER 27 -3.078 2.516 1.395
186 HB2 SER 27 1HB SER 27 -4.293 0.163 1.516
187 HB3 SER 27 2HB SER 27 -2.733 -0.417 0.933
188 HG SER 27 HG SER 27 -3.180 -0.146 3.342
189 H LEU 28 H LEU 28 -2.394 0.641 -1.516
190 HA LEU 28 HA LEU 28 0.427 0.647 -1.229
191 HB2 LEU 28 1HB LEU 28 -0.416 -0.992 -2.652
192 HB3 LEU 28 2HB LEU 28 -1.453 0.150 -3.504
193 HG LEU 28 HG LEU 28 0.507 1.111 -4.607
194 HD11 LEU 28 1HD1 LEU 28 2.038 -1.012 -3.112
195 HD12 LEU 28 2HD1 LEU 28 2.170 0.732 -2.891
196 HD13 LEU 28 3HD1 LEU 28 2.688 -0.006 -4.407
197 HD21 LEU 28 3HD2 LEU 28 0.017 -0.383 -6.173
198 HD22 LEU 28 1HD2 LEU 28 -0.504 -1.551 -4.959
199 HD23 LEU 28 2HD2 LEU 28 1.191 -1.478 -5.442
200 H THR 29 H THR 29 -1.784 2.642 -3.174
201 HA THR 29 HA THR 29 0.106 4.273 -4.396
202 HB THR 29 HB THR 29 -2.694 5.009 -3.520
203 HG1 THR 29 HG1 THR 29 -1.852 4.298 -6.130
204 HG21 THR 29 3HG2 THR 29 -0.765 6.754 -4.347
205 HG22 THR 29 1HG2 THR 29 -2.498 6.994 -4.562
206 HG23 THR 29 2HG2 THR 29 -1.532 6.319 -5.874
207 H VAL 30 H VAL 30 -1.905 5.245 -1.611
208 HA VAL 30 HA VAL 30 -0.563 7.539 -0.919
209 HB VAL 30 HB VAL 30 -2.676 6.814 0.126
210 HG11 VAL 30 1HG1 VAL 30 -1.484 5.231 2.241
211 HG12 VAL 30 2HG1 VAL 30 -2.906 4.903 1.248
212 HG13 VAL 30 3HG1 VAL 30 -1.300 4.470 0.661
213 HG21 VAL 30 3HG2 VAL 30 -1.895 8.552 1.360
214 HG22 VAL 30 1HG2 VAL 30 -1.773 7.298 2.595
215 HG23 VAL 30 2HG2 VAL 30 -0.344 7.774 1.678
216 H HIS 31 H HIS 31 0.361 4.228 -0.327
217 HA HIS 31 HA HIS 31 2.396 4.845 1.596
218 HB2 HIS 31 1HB HIS 31 1.751 2.667 1.883
219 HB3 HIS 31 2HB HIS 31 1.458 2.414 0.165
220 HD1 HIS 31 HD1 HIS 31 4.392 2.737 2.555
221 HD2 HIS 31 HD2 HIS 31 3.417 1.022 -1.102
222 HE1 HIS 31 HE1 HIS 31 6.395 1.364 1.900
223 H GLN 32 H GLN 32 2.228 4.528 -1.877
224 HA GLN 32 HA GLN 32 4.974 4.252 -2.418
225 HB2 GLN 32 1HB GLN 32 2.814 4.112 -3.958
226 HB3 GLN 32 2HB GLN 32 3.239 5.785 -4.296
227 HG2 GLN 32 1HG GLN 32 4.423 4.808 -5.947
228 HG3 GLN 32 2HG GLN 32 5.630 4.687 -4.668
229 HE21 GLN 32 1HE2 GLN 32 4.420 2.616 -3.195
230 HE22 GLN 32 2HE2 GLN 32 4.537 1.162 -4.119
231 H ARG 33 H ARG 33 2.986 7.035 -1.703
232 HA ARG 33 HA ARG 33 4.604 9.094 -2.624
233 HB2 ARG 33 1HB ARG 33 2.887 9.026 -0.136
234 HB3 ARG 33 2HB ARG 33 3.536 10.484 -0.874
235 HG2 ARG 33 1HG ARG 33 2.112 10.364 -2.684
236 HG3 ARG 33 2HG ARG 33 1.845 8.630 -2.489
237 HD2 ARG 33 1HD ARG 33 0.590 9.091 -0.414
238 HD3 ARG 33 2HD ARG 33 0.807 10.819 -0.692
239 HE ARG 33 HE ARG 33 -1.014 9.044 -2.069
240 HH11 ARG 33 1HH1 ARG 33 0.626 12.115 -2.082
241 HH12 ARG 33 2HH1 ARG 33 -0.505 12.862 -3.161
242 HH21 ARG 33 1HH2 ARG 33 -2.510 10.016 -3.491
243 HH22 ARG 33 2HH2 ARG 33 -2.289 11.667 -3.961
244 H ILE 34 H ILE 34 5.005 6.997 0.112
245 HA ILE 34 HA ILE 34 6.802 8.558 1.620
246 HB ILE 34 HB ILE 34 6.270 5.610 1.466
247 HG12 ILE 34 1HG1 ILE 34 5.871 6.246 4.010
248 HG13 ILE 34 2HG1 ILE 34 5.700 7.864 3.341
249 HG21 ILE 34 1HG2 ILE 34 8.397 6.947 3.133
250 HG22 ILE 34 2HG2 ILE 34 7.851 5.282 3.328
251 HG23 ILE 34 3HG2 ILE 34 8.654 5.778 1.838
252 HD11 ILE 34 3HD1 ILE 34 3.895 5.575 3.217
253 HD12 ILE 34 1HD1 ILE 34 3.557 7.302 3.094
254 HD13 ILE 34 2HD1 ILE 34 4.114 6.408 1.678
255 H HIS 35 H HIS 35 7.379 6.027 -0.813
256 HA HIS 35 HA HIS 35 10.208 6.244 -0.727
257 HB2 HIS 35 1HB HIS 35 8.519 5.199 -3.005
258 HB3 HIS 35 2HB HIS 35 10.210 4.827 -2.683
259 HD1 HIS 35 HD1 HIS 35 10.449 3.732 -0.060
260 HD2 HIS 35 HD2 HIS 35 6.929 3.184 -2.198
261 HE1 HIS 35 HE1 HIS 35 9.326 1.743 0.992
262 H THR 36 H THR 36 7.704 7.763 -2.674
263 HA THR 36 HA THR 36 9.420 8.961 -4.578
264 HB THR 36 HB THR 36 7.539 10.374 -5.176
265 HG1 THR 36 HG1 THR 36 6.946 10.423 -2.716
266 HG21 THR 36 3HG2 THR 36 6.945 7.498 -4.565
267 HG22 THR 36 1HG2 THR 36 7.276 8.257 -6.121
268 HG23 THR 36 2HG2 THR 36 5.731 8.532 -5.316
269 H GLY 37 H GLY 37 8.294 9.941 -1.399
270 HA2 GLY 37 1HA GLY 37 9.880 12.420 -1.664
271 HA3 GLY 37 2HA GLY 37 8.476 12.257 -0.619
272 H GLU 38 H GLU 38 11.284 10.125 -1.076
273 HA GLU 38 HA GLU 38 11.639 10.067 1.819
274 HB2 GLU 38 1HB GLU 38 12.982 8.126 1.487
275 HB3 GLU 38 2HB GLU 38 11.573 7.959 0.449
276 HG2 GLU 38 1HG GLU 38 12.974 8.827 -1.436
277 HG3 GLU 38 2HG GLU 38 14.367 8.712 -0.362
278 H LYS 39 H LYS 39 13.747 10.313 2.778
279 HA LYS 39 HA LYS 39 15.187 12.535 1.632
280 HB2 LYS 39 1HB LYS 39 16.394 12.602 3.719
281 HB3 LYS 39 2HB LYS 39 14.683 12.382 4.062
282 HG2 LYS 39 1HG LYS 39 14.967 10.236 4.814
283 HG3 LYS 39 2HG LYS 39 16.431 9.980 3.861
284 HD2 LYS 39 1HD LYS 39 16.405 11.985 6.085
285 HD3 LYS 39 2HD LYS 39 16.616 10.268 6.436
286 HE2 LYS 39 1HE LYS 39 18.626 10.153 5.257
287 HE3 LYS 39 2HE LYS 39 18.295 11.638 4.365
288 HZ1 LYS 39 3HZ LYS 39 19.290 11.300 7.104
289 HZ2 LYS 39 1HZ LYS 39 18.375 12.675 6.738
290 HZ3 LYS 39 2HZ LYS 39 19.808 12.364 5.895
291 HA PRO 40 HA PRO 40 18.374 10.227 -0.345
292 HB2 PRO 40 1HB PRO 40 20.315 12.125 -0.381
293 HB3 PRO 40 2HB PRO 40 18.900 12.178 -1.439
294 HG2 PRO 40 1HG PRO 40 19.402 13.635 1.127
295 HG3 PRO 40 2HG PRO 40 18.693 14.239 -0.382
296 HD2 PRO 40 1HD PRO 40 17.188 13.540 1.757
297 HD3 PRO 40 2HD PRO 40 16.621 13.344 0.086
298 H SER 41 H SER 41 19.109 8.601 0.938
299 HA SER 41 HA SER 41 21.202 9.298 2.890
300 HB2 SER 41 1HB SER 41 18.915 8.482 3.825
301 HB3 SER 41 2HB SER 41 19.434 6.894 3.259
302 HG SER 41 HG SER 41 21.358 7.226 4.537
303 H GLY 42 H GLY 42 21.723 8.712 0.213
304 HA2 GLY 42 1HA GLY 42 22.953 7.322 -1.144
305 HA3 GLY 42 2HA GLY 42 23.752 6.854 0.350
306 HA PRO 43 HA PRO 43 20.170 3.691 -0.578
307 HB2 PRO 43 1HB PRO 43 19.433 3.574 -3.188
308 HB3 PRO 43 2HB PRO 43 18.627 4.614 -2.008
309 HG2 PRO 43 1HG PRO 43 20.723 5.311 -4.029
310 HG3 PRO 43 2HG PRO 43 19.255 6.202 -3.587
311 HD2 PRO 43 1HD PRO 43 21.705 6.876 -2.652
312 HD3 PRO 43 2HD PRO 43 20.223 7.112 -1.704
313 H SER 44 H SER 44 20.911 1.665 -0.720
314 HA SER 44 HA SER 44 23.366 1.145 -2.148
315 HB2 SER 44 1HB SER 44 21.697 -0.325 -0.157
316 HB3 SER 44 2HB SER 44 22.796 -1.260 -1.172
317 HG SER 44 HG SER 44 23.428 -0.022 1.002
318 H SER 45 H SER 45 20.026 -0.059 -2.245
319 HA SER 45 HA SER 45 20.388 -1.878 -4.356
320 HB2 SER 45 1HB SER 45 17.856 -0.375 -3.651
321 HB3 SER 45 2HB SER 45 17.966 -1.891 -4.546
322 HG SER 45 HG SER 45 17.608 -1.725 -2.036
323 H GLY 46 H GLY 46 20.432 -1.665 -6.521
324 HA2 GLY 46 1HA GLY 46 19.424 0.698 -7.836
325 HA3 GLY 46 2HA GLY 46 21.178 0.587 -7.833
Start of MODEL 20
1 H1 GLY 1 H GLY 1 15.643 -25.827 -3.191
2 HA2 GLY 1 1HA GLY 1 14.071 -23.949 -3.991
3 HA3 GLY 1 2HA GLY 1 13.620 -24.770 -2.504
4 H SER 2 H SER 2 14.274 -21.806 -3.921
5 HA SER 2 HA SER 2 14.867 -20.521 -1.349
6 HB2 SER 2 1HB SER 2 15.368 -18.506 -2.747
7 HB3 SER 2 2HB SER 2 16.396 -19.891 -3.113
8 HG SER 2 HG SER 2 15.180 -18.577 -4.872
9 H SER 3 H SER 3 12.778 -20.040 -4.198
10 HA SER 3 HA SER 3 10.656 -19.111 -2.403
11 HB2 SER 3 1HB SER 3 10.141 -17.213 -3.831
12 HB3 SER 3 2HB SER 3 11.825 -17.113 -3.317
13 HG SER 3 HG SER 3 11.309 -18.452 -5.699
14 H GLY 4 H GLY 4 8.518 -19.005 -3.535
15 HA2 GLY 4 1HA GLY 4 7.458 -19.744 -5.733
16 HA3 GLY 4 2HA GLY 4 8.340 -21.238 -5.454
17 H SER 5 H SER 5 5.756 -19.172 -4.261
18 HA SER 5 HA SER 5 4.586 -21.535 -2.952
19 HB2 SER 5 1HB SER 5 4.504 -18.692 -1.911
20 HB3 SER 5 2HB SER 5 3.708 -20.082 -1.173
21 HG SER 5 HG SER 5 5.563 -20.742 -0.393
22 H SER 6 H SER 6 3.215 -21.966 -4.667
23 HA SER 6 HA SER 6 1.284 -19.866 -5.379
24 HB2 SER 6 1HB SER 6 2.239 -22.331 -6.824
25 HB3 SER 6 2HB SER 6 0.747 -21.514 -7.290
26 HG SER 6 HG SER 6 3.055 -20.907 -8.165
27 H GLY 7 H GLY 7 -0.430 -19.969 -4.062
28 HA2 GLY 7 1HA GLY 7 -2.351 -21.941 -4.210
29 HA3 GLY 7 2HA GLY 7 -1.338 -22.386 -2.845
30 H ALA 8 H ALA 8 -0.953 -20.573 -1.238
31 HA ALA 8 HA ALA 8 -3.494 -19.140 -0.829
32 HB1 ALA 8 3HB ALA 8 -3.471 -19.736 1.327
33 HB2 ALA 8 1HB ALA 8 -2.284 -20.944 0.833
34 HB3 ALA 8 2HB ALA 8 -1.748 -19.401 1.498
35 H GLY 9 H GLY 9 -2.655 -17.417 -2.212
36 HA2 GLY 9 1HA GLY 9 -1.408 -15.363 -0.637
37 HA3 GLY 9 2HA GLY 9 -0.365 -15.958 -1.920
38 H LYS 10 H LYS 10 -3.457 -14.416 -1.234
39 HA LYS 10 HA LYS 10 -4.025 -13.836 -3.983
40 HB2 LYS 10 1HB LYS 10 -5.929 -12.645 -3.175
41 HB3 LYS 10 2HB LYS 10 -5.757 -14.082 -2.175
42 HG2 LYS 10 1HG LYS 10 -4.575 -12.645 -0.490
43 HG3 LYS 10 2HG LYS 10 -5.048 -11.249 -1.461
44 HD2 LYS 10 1HD LYS 10 -7.066 -13.253 -0.498
45 HD3 LYS 10 2HD LYS 10 -6.548 -11.904 0.515
46 HE2 LYS 10 1HE LYS 10 -7.624 -11.567 -2.278
47 HE3 LYS 10 2HE LYS 10 -8.637 -11.513 -0.836
48 HZ1 LYS 10 3HZ LYS 10 -6.294 -9.742 -1.239
49 HZ2 LYS 10 1HZ LYS 10 -7.497 -9.609 -0.057
50 HZ3 LYS 10 2HZ LYS 10 -7.869 -9.309 -1.679
51 H LYS 11 H LYS 11 -2.934 -12.396 -5.133
52 HA LYS 11 HA LYS 11 -2.155 -9.867 -3.848
53 HB2 LYS 11 1HB LYS 11 -0.297 -11.697 -4.412
54 HB3 LYS 11 2HB LYS 11 -0.420 -10.963 -6.006
55 HG2 LYS 11 1HG LYS 11 -0.076 -9.211 -3.620
56 HG3 LYS 11 2HG LYS 11 1.315 -10.085 -4.267
57 HD2 LYS 11 1HD LYS 11 -0.476 -8.367 -5.972
58 HD3 LYS 11 2HD LYS 11 0.956 -7.740 -5.153
59 HE2 LYS 11 1HE LYS 11 0.972 -10.059 -7.079
60 HE3 LYS 11 2HE LYS 11 1.340 -8.394 -7.527
61 HZ1 LYS 11 3HZ LYS 11 2.815 -9.784 -5.373
62 HZ2 LYS 11 1HZ LYS 11 3.268 -8.401 -6.237
63 HZ3 LYS 11 2HZ LYS 11 3.282 -9.913 -6.994
64 H LEU 12 H LEU 12 -2.340 -8.030 -5.095
65 HA LEU 12 HA LEU 12 -3.336 -8.361 -7.839
66 HB2 LEU 12 1HB LEU 12 -4.727 -6.191 -7.042
67 HB3 LEU 12 2HB LEU 12 -5.364 -7.834 -7.048
68 HG LEU 12 HG LEU 12 -5.906 -6.629 -4.982
69 HD11 LEU 12 1HD1 LEU 12 -4.817 -9.196 -5.230
70 HD12 LEU 12 2HD1 LEU 12 -5.863 -8.589 -3.947
71 HD13 LEU 12 3HD1 LEU 12 -4.111 -8.510 -3.766
72 HD21 LEU 12 3HD2 LEU 12 -3.138 -6.756 -3.980
73 HD22 LEU 12 1HD2 LEU 12 -4.406 -5.568 -3.677
74 HD23 LEU 12 2HD2 LEU 12 -3.469 -5.496 -5.169
75 H PHE 13 H PHE 13 -1.786 -6.344 -5.425
76 HA PHE 13 HA PHE 13 -0.521 -4.827 -7.598
77 HB2 PHE 13 1HB PHE 13 -1.231 -3.447 -5.033
78 HB3 PHE 13 2HB PHE 13 -0.916 -2.751 -6.619
79 HD1 PHE 13 HD2 PHE 13 -2.682 -4.038 -8.419
80 HD2 PHE 13 HD1 PHE 13 -3.364 -2.968 -4.356
81 HE1 PHE 13 HE2 PHE 13 -5.101 -3.937 -8.855
82 HE2 PHE 13 HE1 PHE 13 -5.784 -2.867 -4.786
83 HZ PHE 13 HZ PHE 13 -6.656 -3.351 -7.038
84 H LYS 14 H LYS 14 1.609 -4.282 -7.280
85 HA LYS 14 HA LYS 14 2.844 -5.159 -4.756
86 HB2 LYS 14 1HB LYS 14 3.117 -6.644 -6.935
87 HB3 LYS 14 2HB LYS 14 4.352 -5.451 -7.315
88 HG2 LYS 14 1HG LYS 14 5.304 -5.937 -5.005
89 HG3 LYS 14 2HG LYS 14 4.242 -7.347 -4.995
90 HD2 LYS 14 1HD LYS 14 6.281 -8.163 -5.806
91 HD3 LYS 14 2HD LYS 14 5.300 -7.927 -7.255
92 HE2 LYS 14 1HE LYS 14 6.496 -6.054 -7.913
93 HE3 LYS 14 2HE LYS 14 7.094 -5.740 -6.285
94 HZ1 LYS 14 3HZ LYS 14 8.358 -7.143 -8.338
95 HZ2 LYS 14 1HZ LYS 14 8.014 -8.257 -7.112
96 HZ3 LYS 14 2HZ LYS 14 8.918 -6.870 -6.765
97 H CYS 15 H CYS 15 4.362 -3.830 -3.908
98 HA CYS 15 HA CYS 15 4.702 -1.239 -5.182
99 HB2 CYS 15 1HB CYS 15 4.152 -1.139 -2.862
100 HB3 CYS 15 2HB CYS 15 5.408 -2.301 -2.446
101 H ASN 16 H ASN 16 6.344 -0.894 -6.512
102 HA ASN 16 HA ASN 16 8.645 -2.631 -6.536
103 HB2 ASN 16 1HB ASN 16 7.678 -1.829 -8.643
104 HB3 ASN 16 2HB ASN 16 8.022 -0.166 -8.178
105 HD21 ASN 16 1HD2 ASN 16 9.777 -3.251 -8.309
106 HD22 ASN 16 2HD2 ASN 16 11.177 -2.614 -9.096
107 H GLU 17 H GLU 17 8.454 -1.285 -4.106
108 HA GLU 17 HA GLU 17 10.893 0.345 -4.209
109 HB2 GLU 17 1HB GLU 17 8.603 1.027 -2.375
110 HB3 GLU 17 2HB GLU 17 10.023 1.994 -2.747
111 HG2 GLU 17 1HG GLU 17 9.018 1.840 -5.195
112 HG3 GLU 17 2HG GLU 17 7.523 1.618 -4.287
113 H CYS 18 H CYS 18 8.624 -1.423 -2.128
114 HA CYS 18 HA CYS 18 10.932 -2.371 -0.568
115 HB2 CYS 18 1HB CYS 18 9.658 -2.209 1.485
116 HB3 CYS 18 2HB CYS 18 9.681 -0.635 0.695
117 H LYS 19 H LYS 19 8.912 -3.354 -2.742
118 HA LYS 19 HA LYS 19 7.833 -5.284 -3.298
119 HB2 LYS 19 1HB LYS 19 9.628 -6.592 -1.257
120 HB3 LYS 19 2HB LYS 19 8.956 -7.306 -2.717
121 HG2 LYS 19 1HG LYS 19 11.065 -5.164 -2.568
122 HG3 LYS 19 2HG LYS 19 11.294 -6.850 -3.038
123 HD2 LYS 19 1HD LYS 19 9.728 -6.460 -4.939
124 HD3 LYS 19 2HD LYS 19 9.704 -4.749 -4.506
125 HE2 LYS 19 1HE LYS 19 12.340 -6.067 -4.903
126 HE3 LYS 19 2HE LYS 19 11.368 -5.705 -6.328
127 HZ1 LYS 19 3HZ LYS 19 11.507 -3.508 -4.495
128 HZ2 LYS 19 1HZ LYS 19 11.822 -3.548 -6.157
129 HZ3 LYS 19 2HZ LYS 19 13.033 -3.974 -5.057
130 H LYS 20 H LYS 20 6.363 -3.851 -1.517
131 HA LYS 20 HA LYS 20 5.309 -5.886 0.336
132 HB2 LYS 20 1HB LYS 20 6.199 -3.809 1.399
133 HB3 LYS 20 2HB LYS 20 4.987 -2.886 0.521
134 HG2 LYS 20 1HG LYS 20 3.212 -4.062 1.681
135 HG3 LYS 20 2HG LYS 20 4.400 -5.061 2.521
136 HD2 LYS 20 1HD LYS 20 4.539 -2.079 2.721
137 HD3 LYS 20 2HD LYS 20 3.387 -2.978 3.712
138 HE2 LYS 20 1HE LYS 20 5.278 -4.366 4.538
139 HE3 LYS 20 2HE LYS 20 6.383 -3.324 3.644
140 HZ1 LYS 20 3HZ LYS 20 6.394 -2.449 5.775
141 HZ2 LYS 20 1HZ LYS 20 4.731 -2.668 5.999
142 HZ3 LYS 20 2HZ LYS 20 5.292 -1.447 4.972
143 H THR 21 H THR 21 2.930 -5.690 0.746
144 HA THR 21 HA THR 21 1.465 -4.772 -1.633
145 HB THR 21 HB THR 21 -0.014 -6.817 -1.359
146 HG1 THR 21 HG1 THR 21 1.439 -8.598 -0.399
147 HG21 THR 21 3HG2 THR 21 2.344 -8.176 -2.147
148 HG22 THR 21 1HG2 THR 21 2.497 -6.502 -2.676
149 HG23 THR 21 2HG2 THR 21 1.103 -7.460 -3.175
150 H PHE 22 H PHE 22 -0.878 -4.546 -1.258
151 HA PHE 22 HA PHE 22 -1.601 -4.156 1.556
152 HB2 PHE 22 1HB PHE 22 -1.832 -2.101 -0.643
153 HB3 PHE 22 2HB PHE 22 -2.739 -1.995 0.862
154 HD1 PHE 22 HD1 PHE 22 0.775 -2.509 -0.284
155 HD2 PHE 22 HD2 PHE 22 -1.853 -0.716 2.544
156 HE1 PHE 22 HE1 PHE 22 2.691 -1.397 0.786
157 HE2 PHE 22 HE2 PHE 22 0.059 0.400 3.618
158 HZ PHE 22 HZ PHE 22 2.334 0.061 2.738
159 H THR 23 H THR 23 -3.870 -4.154 1.970
160 HA THR 23 HA THR 23 -5.333 -6.104 0.702
161 HB THR 23 HB THR 23 -5.993 -5.293 2.880
162 HG1 THR 23 HG1 THR 23 -8.068 -5.639 2.490
163 HG21 THR 23 3HG2 THR 23 -6.887 -3.135 3.298
164 HG22 THR 23 1HG2 THR 23 -6.987 -2.764 1.578
165 HG23 THR 23 2HG2 THR 23 -5.413 -2.881 2.365
166 H GLN 24 H GLN 24 -5.151 -2.676 -0.054
167 HA GLN 24 HA GLN 24 -6.544 -3.218 -2.574
168 HB2 GLN 24 1HB GLN 24 -7.148 -0.855 -0.788
169 HB3 GLN 24 2HB GLN 24 -7.841 -1.150 -2.377
170 HG2 GLN 24 1HG GLN 24 -8.188 -2.968 -0.005
171 HG3 GLN 24 2HG GLN 24 -9.341 -1.729 -0.496
172 HE21 GLN 24 1HE2 GLN 24 -9.608 -4.652 -0.313
173 HE22 GLN 24 2HE2 GLN 24 -10.117 -5.172 -1.880
174 H SER 25 H SER 25 -6.411 -1.073 -3.962
175 HA SER 25 HA SER 25 -3.600 -0.562 -4.283
176 HB2 SER 25 1HB SER 25 -4.268 0.693 -6.278
177 HB3 SER 25 2HB SER 25 -5.083 -0.871 -6.233
178 HG SER 25 HG SER 25 -6.125 1.674 -6.061
179 H SER 26 H SER 26 -6.445 1.520 -3.749
180 HA SER 26 HA SER 26 -5.377 3.974 -3.537
181 HB2 SER 26 1HB SER 26 -7.076 4.517 -1.842
182 HB3 SER 26 2HB SER 26 -7.752 3.504 -3.117
183 HG SER 26 HG SER 26 -8.367 2.312 -1.495
184 H SER 27 H SER 27 -5.128 1.446 -1.085
185 HA SER 27 HA SER 27 -3.767 3.075 0.821
186 HB2 SER 27 1HB SER 27 -3.217 0.817 1.872
187 HB3 SER 27 2HB SER 27 -4.930 1.190 1.686
188 HG SER 27 HG SER 27 -4.494 -0.914 0.973
189 H LEU 28 H LEU 28 -2.719 0.630 -1.528
190 HA LEU 28 HA LEU 28 0.009 0.660 -0.887
191 HB2 LEU 28 1HB LEU 28 -0.707 -1.118 -2.211
192 HB3 LEU 28 2HB LEU 28 -1.535 -0.058 -3.349
193 HG LEU 28 HG LEU 28 0.701 0.722 -4.139
194 HD11 LEU 28 1HD1 LEU 28 2.538 0.207 -3.017
195 HD12 LEU 28 2HD1 LEU 28 2.237 -1.509 -3.283
196 HD13 LEU 28 3HD1 LEU 28 1.576 -0.709 -1.857
197 HD21 LEU 28 3HD2 LEU 28 0.663 -0.859 -5.727
198 HD22 LEU 28 1HD2 LEU 28 -0.739 -1.480 -4.853
199 HD23 LEU 28 2HD2 LEU 28 0.858 -2.172 -4.564
200 H THR 29 H THR 29 -1.732 2.398 -3.465
201 HA THR 29 HA THR 29 0.351 3.797 -4.583
202 HB THR 29 HB THR 29 -2.448 4.838 -4.104
203 HG1 THR 29 HG1 THR 29 -2.296 2.840 -5.298
204 HG21 THR 29 3HG2 THR 29 -1.574 5.906 -6.464
205 HG22 THR 29 1HG2 THR 29 -0.111 5.949 -5.480
206 HG23 THR 29 2HG2 THR 29 -1.579 6.747 -4.914
207 H VAL 30 H VAL 30 -1.681 4.853 -1.852
208 HA VAL 30 HA VAL 30 -0.215 7.238 -1.377
209 HB VAL 30 HB VAL 30 -2.566 6.847 -0.622
210 HG11 VAL 30 1HG1 VAL 30 -1.167 4.904 1.161
211 HG12 VAL 30 2HG1 VAL 30 -2.618 5.726 1.738
212 HG13 VAL 30 3HG1 VAL 30 -2.686 4.732 0.282
213 HG21 VAL 30 3HG2 VAL 30 -2.062 8.661 0.565
214 HG22 VAL 30 1HG2 VAL 30 -1.686 7.594 1.918
215 HG23 VAL 30 2HG2 VAL 30 -0.407 8.106 0.818
216 H HIS 31 H HIS 31 0.528 4.012 -0.803
217 HA HIS 31 HA HIS 31 2.146 4.508 1.563
218 HB2 HIS 31 1HB HIS 31 1.333 2.396 1.823
219 HB3 HIS 31 2HB HIS 31 1.201 2.119 0.089
220 HD1 HIS 31 HD1 HIS 31 4.028 2.458 2.624
221 HD2 HIS 31 HD2 HIS 31 2.999 0.306 -0.778
222 HE1 HIS 31 HE1 HIS 31 5.916 0.837 2.257
223 H GLN 32 H GLN 32 2.535 3.941 -1.879
224 HA GLN 32 HA GLN 32 5.293 3.474 -1.943
225 HB2 GLN 32 1HB GLN 32 4.082 5.045 -4.154
226 HB3 GLN 32 2HB GLN 32 5.117 3.624 -4.219
227 HG2 GLN 32 1HG GLN 32 2.888 2.570 -3.114
228 HG3 GLN 32 2HG GLN 32 2.192 3.833 -4.128
229 HE21 GLN 32 1HE2 GLN 32 4.901 1.560 -4.452
230 HE22 GLN 32 2HE2 GLN 32 4.418 0.938 -5.990
231 H ARG 33 H ARG 33 3.447 6.475 -1.891
232 HA ARG 33 HA ARG 33 5.431 8.302 -2.511
233 HB2 ARG 33 1HB ARG 33 4.083 9.955 -1.490
234 HB3 ARG 33 2HB ARG 33 2.963 8.742 -2.095
235 HG2 ARG 33 1HG ARG 33 2.996 7.758 0.244
236 HG3 ARG 33 2HG ARG 33 3.806 9.246 0.739
237 HD2 ARG 33 1HD ARG 33 1.247 9.115 0.960
238 HD3 ARG 33 2HD ARG 33 1.953 10.564 0.247
239 HE ARG 33 HE ARG 33 1.160 8.505 -1.629
240 HH11 ARG 33 1HH1 ARG 33 0.287 11.429 0.048
241 HH12 ARG 33 2HH1 ARG 33 -0.946 11.867 -1.088
242 HH21 ARG 33 1HH2 ARG 33 -0.460 9.072 -3.132
243 HH22 ARG 33 2HH2 ARG 33 -1.370 10.525 -2.896
244 H ILE 34 H ILE 34 4.808 6.620 0.509
245 HA ILE 34 HA ILE 34 6.360 8.082 2.269
246 HB ILE 34 HB ILE 34 5.707 5.160 2.121
247 HG12 ILE 34 1HG1 ILE 34 4.433 5.671 4.148
248 HG13 ILE 34 2HG1 ILE 34 5.054 7.317 4.141
249 HG21 ILE 34 1HG2 ILE 34 7.459 6.482 4.188
250 HG22 ILE 34 2HG2 ILE 34 6.771 4.866 4.329
251 HG23 ILE 34 3HG2 ILE 34 7.935 5.219 3.053
252 HD11 ILE 34 3HD1 ILE 34 2.800 7.272 3.297
253 HD12 ILE 34 1HD1 ILE 34 3.914 7.711 2.002
254 HD13 ILE 34 2HD1 ILE 34 3.249 6.079 2.079
255 H HIS 35 H HIS 35 7.359 5.553 0.003
256 HA HIS 35 HA HIS 35 10.067 5.462 0.833
257 HB2 HIS 35 1HB HIS 35 9.003 4.762 -1.906
258 HB3 HIS 35 2HB HIS 35 10.464 4.149 -1.138
259 HD1 HIS 35 HD1 HIS 35 9.623 3.050 1.445
260 HD2 HIS 35 HD2 HIS 35 7.179 2.783 -1.904
261 HE1 HIS 35 HE1 HIS 35 8.056 1.139 1.907
262 H THR 36 H THR 36 8.320 7.392 -1.521
263 HA THR 36 HA THR 36 10.625 8.513 -2.765
264 HB THR 36 HB THR 36 9.131 10.051 -3.849
265 HG1 THR 36 HG1 THR 36 7.183 10.560 -3.058
266 HG21 THR 36 3HG2 THR 36 7.357 8.472 -4.689
267 HG22 THR 36 1HG2 THR 36 7.932 7.307 -3.497
268 HG23 THR 36 2HG2 THR 36 9.008 7.859 -4.781
269 H GLY 37 H GLY 37 8.434 9.611 -0.199
270 HA2 GLY 37 1HA GLY 37 9.629 12.158 0.143
271 HA3 GLY 37 2HA GLY 37 8.604 11.335 1.310
272 H GLU 38 H GLU 38 10.156 9.046 1.756
273 HA GLU 38 HA GLU 38 11.957 10.004 3.703
274 HB2 GLU 38 1HB GLU 38 11.585 7.259 2.503
275 HB3 GLU 38 2HB GLU 38 12.676 7.589 3.841
276 HG2 GLU 38 1HG GLU 38 9.827 8.421 4.062
277 HG3 GLU 38 2HG GLU 38 10.248 6.722 4.266
278 H LYS 39 H LYS 39 14.281 8.987 3.757
279 HA LYS 39 HA LYS 39 15.638 10.006 1.384
280 HB2 LYS 39 1HB LYS 39 16.624 9.264 4.139
281 HB3 LYS 39 2HB LYS 39 17.695 9.750 2.831
282 HG2 LYS 39 1HG LYS 39 17.031 11.932 2.909
283 HG3 LYS 39 2HG LYS 39 15.426 11.537 3.528
284 HD2 LYS 39 1HD LYS 39 16.358 11.042 5.711
285 HD3 LYS 39 2HD LYS 39 17.991 11.323 5.105
286 HE2 LYS 39 1HE LYS 39 15.960 13.484 4.825
287 HE3 LYS 39 2HE LYS 39 16.676 13.194 6.410
288 HZ1 LYS 39 3HZ LYS 39 18.785 13.210 4.647
289 HZ2 LYS 39 1HZ LYS 39 18.367 14.435 5.736
290 HZ3 LYS 39 2HZ LYS 39 17.799 14.490 4.145
291 HA PRO 40 HA PRO 40 16.484 5.972 -0.190
292 HB2 PRO 40 1HB PRO 40 18.517 6.632 -1.864
293 HB3 PRO 40 2HB PRO 40 16.825 7.006 -2.213
294 HG2 PRO 40 1HG PRO 40 18.964 8.777 -1.096
295 HG3 PRO 40 2HG PRO 40 17.743 9.139 -2.330
296 HD2 PRO 40 1HD PRO 40 17.484 9.922 0.249
297 HD3 PRO 40 2HD PRO 40 16.089 9.505 -0.767
298 H SER 41 H SER 41 18.204 4.383 -0.295
299 HA SER 41 HA SER 41 19.935 4.537 2.001
300 HB2 SER 41 1HB SER 41 19.295 2.409 -0.023
301 HB3 SER 41 2HB SER 41 20.654 2.211 1.083
302 HG SER 41 HG SER 41 18.790 2.924 2.655
303 H GLY 42 H GLY 42 22.247 3.541 1.631
304 HA2 GLY 42 1HA GLY 42 23.660 5.451 0.027
305 HA3 GLY 42 2HA GLY 42 24.374 4.161 0.983
306 HA PRO 43 HA PRO 43 25.155 3.031 -3.388
307 HB2 PRO 43 1HB PRO 43 27.570 1.898 -2.882
308 HB3 PRO 43 2HB PRO 43 27.359 3.634 -3.142
309 HG2 PRO 43 1HG PRO 43 27.621 2.122 -0.571
310 HG3 PRO 43 2HG PRO 43 28.368 3.658 -1.047
311 HD2 PRO 43 1HD PRO 43 26.183 3.533 0.547
312 HD3 PRO 43 2HD PRO 43 26.465 4.872 -0.584
313 H SER 44 H SER 44 24.690 1.111 -4.320
314 HA SER 44 HA SER 44 23.982 -1.100 -2.586
315 HB2 SER 44 1HB SER 44 22.876 -2.038 -4.475
316 HB3 SER 44 2HB SER 44 22.573 -0.302 -4.549
317 HG SER 44 HG SER 44 24.549 -0.323 -5.962
318 H SER 45 H SER 45 26.379 -0.330 -5.035
319 HA SER 45 HA SER 45 28.056 -1.626 -5.967
320 HB2 SER 45 1HB SER 45 29.730 -2.210 -4.268
321 HB3 SER 45 2HB SER 45 29.029 -0.626 -3.937
322 HG SER 45 HG SER 45 27.617 -1.722 -2.437
323 H GLY 46 H GLY 46 25.731 -3.122 -6.045
324 HA2 GLY 46 1HA GLY 46 26.841 -5.799 -5.946
325 HA3 GLY 46 2HA GLY 46 25.473 -5.529 -4.876