Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
504633 | 2emi RC | 10203 | 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 -9.752 -32.413 -6.080
2 HA2 GLY 1 1HA GLY 1 -8.413 -32.094 -3.640
3 HA3 GLY 1 2HA GLY 1 -7.730 -30.946 -4.781
4 H SER 2 H SER 2 -8.821 -29.822 -2.676
5 HA SER 2 HA SER 2 -11.115 -28.443 -3.772
6 HB2 SER 2 1HB SER 2 -12.357 -30.132 -2.670
7 HB3 SER 2 2HB SER 2 -11.294 -30.107 -1.263
8 HG SER 2 HG SER 2 -12.855 -28.866 -0.535
9 H SER 3 H SER 3 -10.632 -26.374 -3.529
10 HA SER 3 HA SER 3 -9.809 -25.347 -0.951
11 HB2 SER 3 1HB SER 3 -8.007 -25.236 -3.370
12 HB3 SER 3 2HB SER 3 -7.857 -24.101 -2.029
13 HG SER 3 HG SER 3 -7.719 -26.929 -1.812
14 H GLY 4 H GLY 4 -9.524 -22.884 -1.101
15 HA2 GLY 4 1HA GLY 4 -10.186 -21.085 -2.877
16 HA3 GLY 4 2HA GLY 4 -11.748 -21.876 -2.727
17 H SER 5 H SER 5 -9.226 -20.288 -0.794
18 HA SER 5 HA SER 5 -11.318 -19.438 1.094
19 HB2 SER 5 1HB SER 5 -9.258 -20.781 1.886
20 HB3 SER 5 2HB SER 5 -8.360 -19.284 1.634
21 HG SER 5 HG SER 5 -10.163 -18.360 3.003
22 H SER 6 H SER 6 -11.089 -18.102 -1.349
23 HA SER 6 HA SER 6 -9.872 -15.538 -0.556
24 HB2 SER 6 1HB SER 6 -8.777 -16.300 -2.531
25 HB3 SER 6 2HB SER 6 -10.305 -16.755 -3.286
26 HG SER 6 HG SER 6 -10.170 -14.837 -4.141
27 H GLY 7 H GLY 7 -11.806 -15.021 0.634
28 HA2 GLY 7 1HA GLY 7 -13.475 -13.195 -0.272
29 HA3 GLY 7 2HA GLY 7 -14.236 -14.628 -0.947
30 H THR 8 H THR 8 -12.661 -14.185 2.200
31 HA THR 8 HA THR 8 -15.254 -14.776 3.474
32 HB THR 8 HB THR 8 -13.951 -15.874 5.309
33 HG1 THR 8 HG1 THR 8 -11.850 -15.722 5.232
34 HG21 THR 8 3HG2 THR 8 -14.470 -17.778 4.276
35 HG22 THR 8 1HG2 THR 8 -13.098 -17.596 3.184
36 HG23 THR 8 2HG2 THR 8 -14.656 -16.880 2.770
37 H GLY 9 H GLY 9 -15.762 -12.634 3.913
38 HA2 GLY 9 1HA GLY 9 -15.725 -11.248 5.958
39 HA3 GLY 9 2HA GLY 9 -13.971 -11.311 5.858
40 H GLU 10 H GLU 10 -12.954 -9.695 4.855
41 HA GLU 10 HA GLU 10 -13.939 -8.325 2.594
42 HB2 GLU 10 1HB GLU 10 -15.379 -7.478 4.614
43 HB3 GLU 10 2HB GLU 10 -13.946 -6.532 4.992
44 HG2 GLU 10 1HG GLU 10 -15.084 -5.037 3.712
45 HG3 GLU 10 2HG GLU 10 -14.131 -5.841 2.466
46 H ARG 11 H ARG 11 -12.148 -7.777 1.561
47 HA ARG 11 HA ARG 11 -9.586 -7.944 2.430
48 HB2 ARG 11 1HB ARG 11 -10.807 -6.133 0.360
49 HB3 ARG 11 2HB ARG 11 -9.073 -6.154 0.652
50 HG2 ARG 11 1HG ARG 11 -9.238 -7.646 -1.070
51 HG3 ARG 11 2HG ARG 11 -9.354 -8.734 0.315
52 HD2 ARG 11 1HD ARG 11 -11.849 -7.562 -0.819
53 HD3 ARG 11 2HD ARG 11 -11.062 -8.885 -1.678
54 HE ARG 11 HE ARG 11 -11.385 -9.488 1.081
55 HH11 ARG 11 1HH1 ARG 11 -13.101 -9.308 -1.943
56 HH12 ARG 11 2HH1 ARG 11 -14.287 -10.487 -1.490
57 HH21 ARG 11 1HH2 ARG 11 -12.940 -11.042 1.689
58 HH22 ARG 11 2HH2 ARG 11 -14.195 -11.472 0.577
59 H HIS 12 H HIS 12 -7.956 -6.353 2.980
60 HA HIS 12 HA HIS 12 -8.938 -3.878 4.182
61 HB2 HIS 12 1HB HIS 12 -7.410 -4.437 6.201
62 HB3 HIS 12 2HB HIS 12 -9.008 -5.173 6.122
63 HD1 HIS 12 HD1 HIS 12 -8.704 -7.405 7.163
64 HD2 HIS 12 HD2 HIS 12 -5.678 -6.522 4.457
65 HE1 HIS 12 HE1 HIS 12 -7.313 -9.494 7.006
66 H TYR 13 H TYR 13 -7.204 -2.367 4.713
67 HA TYR 13 HA TYR 13 -4.949 -2.690 2.864
68 HB2 TYR 13 1HB TYR 13 -5.863 -0.151 4.219
69 HB3 TYR 13 2HB TYR 13 -4.758 -0.298 2.858
70 HD1 TYR 13 HD2 TYR 13 -8.291 -0.776 3.881
71 HD2 TYR 13 HD1 TYR 13 -5.564 -0.328 0.645
72 HE1 TYR 13 HE2 TYR 13 -10.183 -0.536 2.327
73 HE2 TYR 13 HE1 TYR 13 -7.449 -0.085 -0.917
74 HH TYR 13 HH TYR 13 -10.776 -0.538 0.134
75 H GLU 14 H GLU 14 -3.284 -3.631 3.883
76 HA GLU 14 HA GLU 14 -2.580 -2.700 6.580
77 HB2 GLU 14 1HB GLU 14 -1.079 -4.776 6.538
78 HB3 GLU 14 2HB GLU 14 -2.815 -5.034 6.643
79 HG2 GLU 14 1HG GLU 14 -2.922 -5.557 4.291
80 HG3 GLU 14 2HG GLU 14 -1.209 -5.187 4.103
81 H CYS 15 H CYS 15 -0.545 -1.932 7.048
82 HA CYS 15 HA CYS 15 0.814 -0.495 5.090
83 HB2 CYS 15 1HB CYS 15 0.909 -0.182 7.613
84 HB3 CYS 15 2HB CYS 15 2.078 -1.498 7.641
85 H SER 16 H SER 16 2.916 -0.772 4.178
86 HA SER 16 HA SER 16 3.605 -3.604 3.762
87 HB2 SER 16 1HB SER 16 2.865 -2.302 1.751
88 HB3 SER 16 2HB SER 16 4.273 -1.263 1.964
89 HG SER 16 HG SER 16 4.708 -2.925 0.479
90 H GLU 17 H GLU 17 4.632 -0.798 5.266
91 HA GLU 17 HA GLU 17 7.476 -1.283 4.956
92 HB2 GLU 17 1HB GLU 17 5.951 0.729 6.617
93 HB3 GLU 17 2HB GLU 17 7.705 0.650 6.516
94 HG2 GLU 17 1HG GLU 17 6.028 0.959 4.057
95 HG3 GLU 17 2HG GLU 17 6.461 2.348 5.052
96 H CYS 18 H CYS 18 5.212 -1.125 7.710
97 HA CYS 18 HA CYS 18 7.091 -2.668 9.325
98 HB2 CYS 18 1HB CYS 18 5.512 -2.168 11.186
99 HB3 CYS 18 2HB CYS 18 6.140 -0.723 10.399
100 H GLY 19 H GLY 19 3.733 -2.836 8.180
101 HA2 GLY 19 1HA GLY 19 3.027 -5.052 7.335
102 HA3 GLY 19 2HA GLY 19 3.800 -5.734 8.759
103 H LYS 20 H LYS 20 2.200 -2.802 9.358
104 HA LYS 20 HA LYS 20 0.320 -4.047 11.096
105 HB2 LYS 20 1HB LYS 20 1.421 -1.645 11.139
106 HB3 LYS 20 2HB LYS 20 -0.007 -1.213 10.207
107 HG2 LYS 20 1HG LYS 20 -1.456 -1.903 11.972
108 HG3 LYS 20 2HG LYS 20 -0.109 -2.598 12.876
109 HD2 LYS 20 1HD LYS 20 0.712 -0.530 13.497
110 HD3 LYS 20 2HD LYS 20 -0.054 0.297 12.139
111 HE2 LYS 20 1HE LYS 20 -2.207 0.128 13.163
112 HE3 LYS 20 2HE LYS 20 -1.584 -0.933 14.425
113 HZ1 LYS 20 3HZ LYS 20 -1.375 0.929 15.607
114 HZ2 LYS 20 1HZ LYS 20 -1.532 1.934 14.254
115 HZ3 LYS 20 2HZ LYS 20 -0.026 1.270 14.645
116 H ALA 21 H ALA 21 -2.012 -3.801 10.992
117 HA ALA 21 HA ALA 21 -3.014 -3.761 8.219
118 HB1 ALA 21 3HB ALA 21 -3.674 -5.856 8.560
119 HB2 ALA 21 1HB ALA 21 -3.258 -5.775 10.272
120 HB3 ALA 21 2HB ALA 21 -4.842 -5.226 9.722
121 H PHE 22 H PHE 22 -4.910 -2.683 7.795
122 HA PHE 22 HA PHE 22 -6.230 -1.325 10.038
123 HB2 PHE 22 1HB PHE 22 -5.494 0.026 7.435
124 HB3 PHE 22 2HB PHE 22 -6.304 0.769 8.810
125 HD1 PHE 22 HD2 PHE 22 -3.125 -0.807 7.744
126 HD2 PHE 22 HD1 PHE 22 -5.077 1.737 10.543
127 HE1 PHE 22 HE2 PHE 22 -0.941 -0.162 8.676
128 HE2 PHE 22 HE1 PHE 22 -2.896 2.387 11.479
129 HZ PHE 22 HZ PHE 22 -0.825 1.436 10.546
130 H ILE 23 H ILE 23 -8.384 -0.493 9.489
131 HA ILE 23 HA ILE 23 -9.795 -2.402 7.825
132 HB ILE 23 HB ILE 23 -10.727 -1.860 10.009
133 HG12 ILE 23 1HG1 ILE 23 -13.036 -1.109 9.215
134 HG13 ILE 23 2HG1 ILE 23 -12.325 -0.967 7.611
135 HG21 ILE 23 1HG2 ILE 23 -11.036 0.945 8.946
136 HG22 ILE 23 2HG2 ILE 23 -11.628 0.353 10.497
137 HG23 ILE 23 3HG2 ILE 23 -9.894 0.431 10.188
138 HD11 ILE 23 3HD1 ILE 23 -12.219 -3.506 9.204
139 HD12 ILE 23 1HD1 ILE 23 -13.552 -3.109 8.121
140 HD13 ILE 23 2HD1 ILE 23 -11.917 -3.279 7.482
141 H GLN 24 H GLN 24 -9.237 1.091 7.935
142 HA GLN 24 HA GLN 24 -10.468 1.319 5.273
143 HB2 GLN 24 1HB GLN 24 -10.013 3.374 7.435
144 HB3 GLN 24 2HB GLN 24 -10.517 3.792 5.803
145 HG2 GLN 24 1HG GLN 24 -12.609 2.876 6.066
146 HG3 GLN 24 2HG GLN 24 -12.089 1.794 7.357
147 HE21 GLN 24 1HE2 GLN 24 -11.674 2.712 9.444
148 HE22 GLN 24 2HE2 GLN 24 -12.500 4.147 9.937
149 H LYS 25 H LYS 25 -9.413 2.544 3.653
150 HA LYS 25 HA LYS 25 -6.601 2.155 3.556
151 HB2 LYS 25 1HB LYS 25 -7.761 2.037 1.495
152 HB3 LYS 25 2HB LYS 25 -8.555 3.583 1.763
153 HG2 LYS 25 1HG LYS 25 -6.929 4.026 0.153
154 HG3 LYS 25 2HG LYS 25 -6.223 4.608 1.663
155 HD2 LYS 25 1HD LYS 25 -4.661 2.935 1.736
156 HD3 LYS 25 2HD LYS 25 -5.680 1.798 0.850
157 HE2 LYS 25 1HE LYS 25 -4.074 2.288 -0.723
158 HE3 LYS 25 2HE LYS 25 -5.324 3.464 -1.127
159 HZ1 LYS 25 3HZ LYS 25 -2.734 3.896 0.201
160 HZ2 LYS 25 1HZ LYS 25 -4.009 4.971 0.485
161 HZ3 LYS 25 2HZ LYS 25 -3.429 4.743 -1.087
162 H SER 26 H SER 26 -8.603 5.096 3.715
163 HA SER 26 HA SER 26 -6.582 6.985 3.766
164 HB2 SER 26 1HB SER 26 -9.206 7.083 5.276
165 HB3 SER 26 2HB SER 26 -8.192 8.470 4.878
166 HG SER 26 HG SER 26 -9.903 8.189 3.379
167 H THR 27 H THR 27 -8.048 5.249 6.494
168 HA THR 27 HA THR 27 -6.696 6.490 8.577
169 HB THR 27 HB THR 27 -7.641 3.631 8.337
170 HG1 THR 27 HG1 THR 27 -9.037 5.734 8.464
171 HG21 THR 27 3HG2 THR 27 -6.689 3.148 10.290
172 HG22 THR 27 1HG2 THR 27 -7.474 4.536 11.042
173 HG23 THR 27 2HG2 THR 27 -5.896 4.723 10.276
174 H LEU 28 H LEU 28 -5.682 3.808 6.513
175 HA LEU 28 HA LEU 28 -3.343 3.119 7.906
176 HB2 LEU 28 1HB LEU 28 -3.872 1.523 6.375
177 HB3 LEU 28 2HB LEU 28 -4.404 2.697 5.173
178 HG LEU 28 HG LEU 28 -1.961 3.227 4.793
179 HD11 LEU 28 1HD1 LEU 28 -0.302 1.696 5.534
180 HD12 LEU 28 2HD1 LEU 28 -1.514 0.618 6.226
181 HD13 LEU 28 3HD1 LEU 28 -1.219 2.197 6.955
182 HD21 LEU 28 3HD2 LEU 28 -3.424 1.740 3.366
183 HD22 LEU 28 1HD2 LEU 28 -2.691 0.370 4.200
184 HD23 LEU 28 2HD2 LEU 28 -1.686 1.461 3.245
185 H SER 29 H SER 29 -3.873 5.371 5.214
186 HA SER 29 HA SER 29 -1.262 6.115 4.704
187 HB2 SER 29 1HB SER 29 -3.690 7.925 4.662
188 HB3 SER 29 2HB SER 29 -2.171 8.205 3.809
189 HG SER 29 HG SER 29 -3.968 7.209 2.586
190 H MET 30 H MET 30 -3.497 7.443 7.119
191 HA MET 30 HA MET 30 -1.929 9.509 8.094
192 HB2 MET 30 1HB MET 30 -3.671 7.760 9.827
193 HB3 MET 30 2HB MET 30 -3.281 9.458 10.061
194 HG2 MET 30 1HG MET 30 -4.462 9.791 7.784
195 HG3 MET 30 2HG MET 30 -5.157 8.204 8.108
196 HE1 MET 30 3HE MET 30 -7.022 11.961 9.243
197 HE2 MET 30 1HE MET 30 -5.286 12.027 8.938
198 HE3 MET 30 2HE MET 30 -6.362 11.286 7.753
199 H HIS 31 H HIS 31 -1.621 6.083 8.554
200 HA HIS 31 HA HIS 31 0.285 6.389 10.733
201 HB2 HIS 31 1HB HIS 31 -0.956 4.498 11.157
202 HB3 HIS 31 2HB HIS 31 -1.129 4.098 9.451
203 HD1 HIS 31 HD1 HIS 31 0.978 3.456 12.417
204 HD2 HIS 31 HD2 HIS 31 1.102 2.711 8.331
205 HE1 HIS 31 HE1 HIS 31 2.775 1.725 12.103
206 H GLN 32 H GLN 32 0.276 4.909 7.487
207 HA GLN 32 HA GLN 32 2.846 4.170 7.171
208 HB2 GLN 32 1HB GLN 32 0.864 5.372 5.308
209 HB3 GLN 32 2HB GLN 32 2.527 5.253 4.749
210 HG2 GLN 32 1HG GLN 32 1.282 2.845 5.955
211 HG3 GLN 32 2HG GLN 32 0.775 3.330 4.338
212 HE21 GLN 32 1HE2 GLN 32 1.712 1.865 3.067
213 HE22 GLN 32 2HE2 GLN 32 3.406 1.529 3.017
214 H ARG 33 H ARG 33 1.676 7.450 7.367
215 HA ARG 33 HA ARG 33 3.754 8.906 6.310
216 HB2 ARG 33 1HB ARG 33 3.043 10.729 7.654
217 HB3 ARG 33 2HB ARG 33 1.602 9.782 7.309
218 HG2 ARG 33 1HG ARG 33 1.819 8.721 9.534
219 HG3 ARG 33 2HG ARG 33 3.180 9.793 9.871
220 HD2 ARG 33 1HD ARG 33 0.862 10.478 10.730
221 HD3 ARG 33 2HD ARG 33 1.830 11.694 9.898
222 HE ARG 33 HE ARG 33 -0.021 10.229 8.225
223 HH11 ARG 33 1HH1 ARG 33 0.529 13.050 10.189
224 HH12 ARG 33 2HH1 ARG 33 -0.720 13.981 9.433
225 HH21 ARG 33 1HH2 ARG 33 -1.669 11.445 7.221
226 HH22 ARG 33 2HH2 ARG 33 -1.971 13.067 7.745
227 H ILE 34 H ILE 34 3.515 7.542 9.578
228 HA ILE 34 HA ILE 34 5.741 8.545 10.783
229 HB ILE 34 HB ILE 34 5.785 6.672 12.212
230 HG12 ILE 34 1HG1 ILE 34 4.356 5.103 10.055
231 HG13 ILE 34 2HG1 ILE 34 6.065 4.960 10.451
232 HG21 ILE 34 1HG2 ILE 34 3.012 6.156 11.734
233 HG22 ILE 34 2HG2 ILE 34 3.762 7.115 13.008
234 HG23 ILE 34 3HG2 ILE 34 3.350 7.866 11.467
235 HD11 ILE 34 3HD1 ILE 34 5.669 3.764 12.330
236 HD12 ILE 34 1HD1 ILE 34 4.128 4.559 12.648
237 HD13 ILE 34 2HD1 ILE 34 4.236 3.306 11.411
238 H HIS 35 H HIS 35 5.612 6.153 8.237
239 HA HIS 35 HA HIS 35 8.398 5.448 8.456
240 HB2 HIS 35 1HB HIS 35 6.394 4.858 6.267
241 HB3 HIS 35 2HB HIS 35 7.996 4.139 6.407
242 HD1 HIS 35 HD1 HIS 35 8.207 3.093 9.121
243 HD2 HIS 35 HD2 HIS 35 4.579 3.054 7.097
244 HE1 HIS 35 HE1 HIS 35 6.828 1.317 10.247
245 H ARG 36 H ARG 36 6.456 7.700 6.632
246 HA ARG 36 HA ARG 36 8.165 8.304 4.529
247 HB2 ARG 36 1HB ARG 36 6.419 10.261 6.033
248 HB3 ARG 36 2HB ARG 36 7.016 10.441 4.389
249 HG2 ARG 36 1HG ARG 36 5.255 8.153 5.204
250 HG3 ARG 36 2HG ARG 36 4.605 9.707 4.678
251 HD2 ARG 36 1HD ARG 36 6.526 8.037 3.064
252 HD3 ARG 36 2HD ARG 36 4.774 7.993 2.871
253 HE ARG 36 HE ARG 36 5.387 10.624 2.600
254 HH11 ARG 36 1HH1 ARG 36 6.517 7.704 1.078
255 HH12 ARG 36 2HH1 ARG 36 6.877 8.475 -0.431
256 HH21 ARG 36 1HH2 ARG 36 5.857 11.651 0.618
257 HH22 ARG 36 2HH2 ARG 36 6.502 10.720 -0.691
258 H GLY 37 H GLY 37 10.146 9.129 4.448
259 HA2 GLY 37 1HA GLY 37 11.187 11.348 5.553
260 HA3 GLY 37 2HA GLY 37 11.363 10.185 6.859
261 H GLU 38 H GLU 38 13.594 10.167 6.839
262 HA GLU 38 HA GLU 38 14.946 9.424 4.357
263 HB2 GLU 38 1HB GLU 38 16.997 9.996 5.465
264 HB3 GLU 38 2HB GLU 38 15.835 11.278 5.775
265 HG2 GLU 38 1HG GLU 38 16.667 11.032 7.864
266 HG3 GLU 38 2HG GLU 38 15.370 9.841 7.942
267 H LYS 39 H LYS 39 16.402 7.645 4.258
268 HA LYS 39 HA LYS 39 15.913 5.558 6.278
269 HB2 LYS 39 1HB LYS 39 15.846 5.363 3.280
270 HB3 LYS 39 2HB LYS 39 16.201 3.951 4.267
271 HG2 LYS 39 1HG LYS 39 13.753 5.595 4.774
272 HG3 LYS 39 2HG LYS 39 13.778 4.365 3.509
273 HD2 LYS 39 1HD LYS 39 14.264 2.644 5.095
274 HD3 LYS 39 2HD LYS 39 14.524 3.826 6.379
275 HE2 LYS 39 1HE LYS 39 11.892 3.787 4.989
276 HE3 LYS 39 2HE LYS 39 12.247 2.511 6.153
277 HZ1 LYS 39 3HZ LYS 39 11.133 4.716 6.918
278 HZ2 LYS 39 1HZ LYS 39 12.719 5.306 6.917
279 HZ3 LYS 39 2HZ LYS 39 12.310 3.982 7.886
280 HA PRO 40 HA PRO 40 20.258 5.008 6.546
281 HB2 PRO 40 1HB PRO 40 20.456 2.330 6.946
282 HB3 PRO 40 2HB PRO 40 19.852 3.443 8.179
283 HG2 PRO 40 1HG PRO 40 18.321 1.687 6.299
284 HG3 PRO 40 2HG PRO 40 18.043 1.990 8.024
285 HD2 PRO 40 1HD PRO 40 16.605 3.209 6.081
286 HD3 PRO 40 2HD PRO 40 16.976 3.994 7.629
287 H SER 41 H SER 41 22.125 4.142 5.498
288 HA SER 41 HA SER 41 22.013 4.034 2.735
289 HB2 SER 41 1HB SER 41 24.071 4.472 4.063
290 HB3 SER 41 2HB SER 41 24.133 2.760 4.483
291 HG SER 41 HG SER 41 25.071 3.953 2.304
292 H GLY 42 H GLY 42 22.589 1.265 4.919
293 HA2 GLY 42 1HA GLY 42 20.968 -0.644 4.350
294 HA3 GLY 42 2HA GLY 42 21.681 -0.510 2.749
295 HA PRO 43 HA PRO 43 25.121 -3.018 3.814
296 HB2 PRO 43 1HB PRO 43 27.350 -1.564 3.278
297 HB3 PRO 43 2HB PRO 43 26.296 -2.207 2.014
298 HG2 PRO 43 1HG PRO 43 26.408 0.554 3.164
299 HG3 PRO 43 2HG PRO 43 26.249 0.053 1.470
300 HD2 PRO 43 1HD PRO 43 24.135 0.866 2.954
301 HD3 PRO 43 2HD PRO 43 23.989 -0.353 1.672
302 H SER 44 H SER 44 24.415 -0.413 5.699
303 HA SER 44 HA SER 44 26.389 0.278 7.349
304 HB2 SER 44 1HB SER 44 23.758 -0.786 8.402
305 HB3 SER 44 2HB SER 44 24.814 0.388 9.188
306 HG SER 44 HG SER 44 23.088 1.413 8.112
307 H SER 45 H SER 45 28.076 -0.876 8.016
308 HA SER 45 HA SER 45 27.655 -3.631 8.933
309 HB2 SER 45 1HB SER 45 30.192 -3.733 8.804
310 HB3 SER 45 2HB SER 45 29.355 -3.524 7.266
311 HG SER 45 HG SER 45 30.296 -1.662 7.039
312 H GLY 46 H GLY 46 26.986 -3.447 11.026
313 HA2 GLY 46 1HA GLY 46 27.832 -3.573 13.280
314 HA3 GLY 46 2HA GLY 46 28.945 -2.271 12.886
Start of MODEL 2
1 H1 GLY 1 H GLY 1 0.814 -12.056 -15.406
2 HA2 GLY 1 1HA GLY 1 1.778 -12.804 -12.906
3 HA3 GLY 1 2HA GLY 1 0.103 -12.402 -13.251
4 H SER 2 H SER 2 -1.342 -14.096 -13.874
5 HA SER 2 HA SER 2 -2.306 -16.129 -13.519
6 HB2 SER 2 1HB SER 2 -0.813 -16.714 -15.403
7 HB3 SER 2 2HB SER 2 0.452 -17.145 -14.252
8 HG SER 2 HG SER 2 -1.935 -18.468 -14.863
9 H SER 3 H SER 3 -1.443 -14.884 -11.195
10 HA SER 3 HA SER 3 -0.248 -17.023 -9.582
11 HB2 SER 3 1HB SER 3 -0.779 -14.134 -8.847
12 HB3 SER 3 2HB SER 3 0.095 -15.311 -7.867
13 HG SER 3 HG SER 3 1.371 -15.431 -10.044
14 H GLY 4 H GLY 4 -2.847 -14.601 -9.192
15 HA2 GLY 4 1HA GLY 4 -5.047 -14.950 -8.516
16 HA3 GLY 4 2HA GLY 4 -4.690 -16.660 -8.326
17 H SER 5 H SER 5 -3.125 -13.829 -6.863
18 HA SER 5 HA SER 5 -3.277 -15.082 -4.262
19 HB2 SER 5 1HB SER 5 -1.866 -13.295 -3.499
20 HB3 SER 5 2HB SER 5 -1.267 -13.796 -5.080
21 HG SER 5 HG SER 5 -2.246 -11.393 -4.289
22 H SER 6 H SER 6 -4.621 -12.223 -5.857
23 HA SER 6 HA SER 6 -6.319 -11.731 -3.516
24 HB2 SER 6 1HB SER 6 -4.929 -9.872 -4.597
25 HB3 SER 6 2HB SER 6 -6.073 -9.947 -5.937
26 HG SER 6 HG SER 6 -6.755 -9.480 -3.220
27 H GLY 7 H GLY 7 -7.948 -13.221 -3.722
28 HA2 GLY 7 1HA GLY 7 -9.897 -12.662 -5.807
29 HA3 GLY 7 2HA GLY 7 -9.227 -14.287 -5.812
30 H THR 8 H THR 8 -9.092 -14.992 -3.234
31 HA THR 8 HA THR 8 -11.913 -15.109 -2.485
32 HB THR 8 HB THR 8 -10.667 -17.232 -2.674
33 HG1 THR 8 HG1 THR 8 -11.241 -16.868 0.069
34 HG21 THR 8 3HG2 THR 8 -9.218 -17.249 -0.255
35 HG22 THR 8 1HG2 THR 8 -8.731 -15.795 -1.125
36 HG23 THR 8 2HG2 THR 8 -8.585 -17.375 -1.896
37 H GLY 9 H GLY 9 -10.697 -12.642 -1.990
38 HA2 GLY 9 1HA GLY 9 -11.431 -11.506 0.138
39 HA3 GLY 9 2HA GLY 9 -10.392 -12.668 0.948
40 H GLU 10 H GLU 10 -9.009 -11.186 1.860
41 HA GLU 10 HA GLU 10 -7.113 -9.925 1.969
42 HB2 GLU 10 1HB GLU 10 -6.580 -11.473 -0.107
43 HB3 GLU 10 2HB GLU 10 -6.756 -9.967 -0.996
44 HG2 GLU 10 1HG GLU 10 -4.824 -10.515 1.245
45 HG3 GLU 10 2HG GLU 10 -4.439 -10.347 -0.467
46 H ARG 11 H ARG 11 -9.611 -8.683 1.809
47 HA ARG 11 HA ARG 11 -9.148 -6.334 0.111
48 HB2 ARG 11 1HB ARG 11 -11.507 -5.792 0.526
49 HB3 ARG 11 2HB ARG 11 -11.325 -7.403 -0.154
50 HG2 ARG 11 1HG ARG 11 -11.372 -8.154 2.342
51 HG3 ARG 11 2HG ARG 11 -12.142 -6.586 2.592
52 HD2 ARG 11 1HD ARG 11 -13.141 -8.350 0.409
53 HD3 ARG 11 2HD ARG 11 -13.565 -8.739 2.075
54 HE ARG 11 HE ARG 11 -14.062 -5.999 1.439
55 HH11 ARG 11 1HH1 ARG 11 -15.334 -9.228 1.166
56 HH12 ARG 11 2HH1 ARG 11 -16.984 -8.709 1.057
57 HH21 ARG 11 1HH2 ARG 11 -16.229 -5.303 1.297
58 HH22 ARG 11 2HH2 ARG 11 -17.491 -6.476 1.131
59 H HIS 12 H HIS 12 -7.521 -6.588 2.359
60 HA HIS 12 HA HIS 12 -8.585 -4.472 4.115
61 HB2 HIS 12 1HB HIS 12 -8.060 -6.908 5.018
62 HB3 HIS 12 2HB HIS 12 -6.411 -6.290 5.058
63 HD1 HIS 12 HD1 HIS 12 -9.841 -5.421 6.431
64 HD2 HIS 12 HD2 HIS 12 -5.815 -4.831 7.274
65 HE1 HIS 12 HE1 HIS 12 -9.783 -4.280 8.671
66 H TYR 13 H TYR 13 -7.237 -2.777 4.664
67 HA TYR 13 HA TYR 13 -5.031 -2.327 2.835
68 HB2 TYR 13 1HB TYR 13 -6.146 -0.485 4.958
69 HB3 TYR 13 2HB TYR 13 -5.067 -0.039 3.641
70 HD1 TYR 13 HD1 TYR 13 -5.900 0.136 1.352
71 HD2 TYR 13 HD2 TYR 13 -8.507 -0.843 4.570
72 HE1 TYR 13 HE1 TYR 13 -7.840 0.636 -0.075
73 HE2 TYR 13 HE2 TYR 13 -10.454 -0.347 3.151
74 HH TYR 13 HH TYR 13 -10.966 -0.283 0.684
75 H GLU 14 H GLU 14 -3.191 -3.319 3.411
76 HA GLU 14 HA GLU 14 -2.328 -3.154 6.216
77 HB2 GLU 14 1HB GLU 14 -1.785 -5.091 4.006
78 HB3 GLU 14 2HB GLU 14 -0.582 -4.888 5.271
79 HG2 GLU 14 1HG GLU 14 -1.942 -6.718 5.890
80 HG3 GLU 14 2HG GLU 14 -2.380 -5.372 6.940
81 H CYS 15 H CYS 15 -0.073 -2.707 6.654
82 HA CYS 15 HA CYS 15 0.985 -0.706 4.801
83 HB2 CYS 15 1HB CYS 15 0.639 -0.137 7.216
84 HB3 CYS 15 2HB CYS 15 1.877 -1.320 7.624
85 H SER 16 H SER 16 2.456 -1.345 3.383
86 HA SER 16 HA SER 16 3.984 -3.762 3.798
87 HB2 SER 16 1HB SER 16 3.984 -1.768 1.520
88 HB3 SER 16 2HB SER 16 4.877 -3.288 1.526
89 HG SER 16 HG SER 16 2.155 -3.409 2.094
90 H GLU 17 H GLU 17 4.556 -1.767 5.701
91 HA GLU 17 HA GLU 17 7.369 -1.207 5.039
92 HB2 GLU 17 1HB GLU 17 5.412 0.601 6.461
93 HB3 GLU 17 2HB GLU 17 7.152 0.855 6.476
94 HG2 GLU 17 1HG GLU 17 5.805 0.562 3.848
95 HG3 GLU 17 2HG GLU 17 5.579 2.064 4.742
96 H CYS 18 H CYS 18 5.031 -1.439 7.716
97 HA CYS 18 HA CYS 18 7.181 -2.570 9.382
98 HB2 CYS 18 1HB CYS 18 5.750 -1.883 11.322
99 HB3 CYS 18 2HB CYS 18 6.352 -0.538 10.359
100 H GLY 19 H GLY 19 3.693 -2.812 8.708
101 HA2 GLY 19 1HA GLY 19 2.961 -5.137 8.136
102 HA3 GLY 19 2HA GLY 19 3.837 -5.634 9.576
103 H LYS 20 H LYS 20 1.452 -3.097 8.799
104 HA LYS 20 HA LYS 20 -0.156 -4.069 11.069
105 HB2 LYS 20 1HB LYS 20 1.127 -1.754 11.207
106 HB3 LYS 20 2HB LYS 20 -0.255 -1.192 10.275
107 HG2 LYS 20 1HG LYS 20 -1.765 -1.719 11.992
108 HG3 LYS 20 2HG LYS 20 -0.579 -2.713 12.842
109 HD2 LYS 20 1HD LYS 20 0.680 -0.799 13.488
110 HD3 LYS 20 2HD LYS 20 -0.248 0.251 12.415
111 HE2 LYS 20 1HE LYS 20 -2.258 -0.187 13.772
112 HE3 LYS 20 2HE LYS 20 -1.288 -1.177 14.862
113 HZ1 LYS 20 3HZ LYS 20 -1.409 0.913 15.868
114 HZ2 LYS 20 1HZ LYS 20 -1.136 1.743 14.419
115 HZ3 LYS 20 2HZ LYS 20 0.125 0.889 15.154
116 H ALA 21 H ALA 21 -2.261 -4.436 10.681
117 HA ALA 21 HA ALA 21 -3.246 -3.893 7.973
118 HB1 ALA 21 3HB ALA 21 -3.819 -6.045 8.159
119 HB2 ALA 21 1HB ALA 21 -3.641 -6.033 9.914
120 HB3 ALA 21 2HB ALA 21 -5.141 -5.470 9.175
121 H PHE 22 H PHE 22 -4.994 -2.639 7.568
122 HA PHE 22 HA PHE 22 -6.458 -1.534 9.866
123 HB2 PHE 22 1HB PHE 22 -5.639 0.096 7.458
124 HB3 PHE 22 2HB PHE 22 -6.391 0.678 8.940
125 HD1 PHE 22 HD1 PHE 22 -5.097 0.825 11.014
126 HD2 PHE 22 HD2 PHE 22 -3.293 -0.322 7.333
127 HE1 PHE 22 HE1 PHE 22 -2.873 1.263 11.971
128 HE2 PHE 22 HE2 PHE 22 -1.067 0.114 8.285
129 HZ PHE 22 HZ PHE 22 -0.854 0.906 10.607
130 H ILE 23 H ILE 23 -8.619 -0.962 9.485
131 HA ILE 23 HA ILE 23 -9.894 -2.506 7.417
132 HB ILE 23 HB ILE 23 -10.884 -2.365 9.658
133 HG12 ILE 23 1HG1 ILE 23 -12.777 -0.969 7.786
134 HG13 ILE 23 2HG1 ILE 23 -12.230 -2.608 7.453
135 HG21 ILE 23 1HG2 ILE 23 -11.557 0.501 9.038
136 HG22 ILE 23 2HG2 ILE 23 -11.811 -0.373 10.547
137 HG23 ILE 23 3HG2 ILE 23 -10.175 0.025 10.024
138 HD11 ILE 23 3HD1 ILE 23 -14.322 -1.748 9.150
139 HD12 ILE 23 1HD1 ILE 23 -13.791 -3.392 8.800
140 HD13 ILE 23 2HD1 ILE 23 -13.084 -2.506 10.151
141 H GLN 24 H GLN 24 -9.475 0.927 8.164
142 HA GLN 24 HA GLN 24 -10.783 1.638 5.642
143 HB2 GLN 24 1HB GLN 24 -9.972 3.271 8.044
144 HB3 GLN 24 2HB GLN 24 -10.547 3.996 6.549
145 HG2 GLN 24 1HG GLN 24 -12.550 2.309 6.940
146 HG3 GLN 24 2HG GLN 24 -12.025 2.473 8.614
147 HE21 GLN 24 1HE2 GLN 24 -11.670 4.791 9.310
148 HE22 GLN 24 2HE2 GLN 24 -12.861 5.937 8.809
149 H LYS 25 H LYS 25 -9.756 2.794 4.030
150 HA LYS 25 HA LYS 25 -7.012 2.300 3.647
151 HB2 LYS 25 1HB LYS 25 -8.908 2.798 1.927
152 HB3 LYS 25 2HB LYS 25 -8.467 4.480 2.188
153 HG2 LYS 25 1HG LYS 25 -6.507 2.357 1.354
154 HG3 LYS 25 2HG LYS 25 -7.382 3.389 0.220
155 HD2 LYS 25 1HD LYS 25 -6.427 5.362 1.489
156 HD3 LYS 25 2HD LYS 25 -5.371 4.208 2.306
157 HE2 LYS 25 1HE LYS 25 -4.040 4.900 0.556
158 HE3 LYS 25 2HE LYS 25 -4.785 3.451 -0.116
159 HZ1 LYS 25 3HZ LYS 25 -5.586 6.263 -0.626
160 HZ2 LYS 25 1HZ LYS 25 -6.460 4.917 -1.162
161 HZ3 LYS 25 2HZ LYS 25 -4.890 5.186 -1.730
162 H SER 26 H SER 26 -8.754 5.291 4.462
163 HA SER 26 HA SER 26 -6.624 7.052 4.507
164 HB2 SER 26 1HB SER 26 -9.137 7.509 4.862
165 HB3 SER 26 2HB SER 26 -8.821 7.173 6.565
166 HG SER 26 HG SER 26 -7.178 8.832 6.431
167 H THR 27 H THR 27 -7.877 5.093 7.201
168 HA THR 27 HA THR 27 -6.251 5.869 9.244
169 HB THR 27 HB THR 27 -6.968 2.995 8.634
170 HG1 THR 27 HG1 THR 27 -8.704 3.651 10.235
171 HG21 THR 27 3HG2 THR 27 -5.236 3.696 10.495
172 HG22 THR 27 1HG2 THR 27 -6.455 2.461 10.810
173 HG23 THR 27 2HG2 THR 27 -6.700 4.110 11.386
174 H LEU 28 H LEU 28 -5.381 3.919 6.473
175 HA LEU 28 HA LEU 28 -2.814 3.156 7.530
176 HB2 LEU 28 1HB LEU 28 -3.589 1.588 6.041
177 HB3 LEU 28 2HB LEU 28 -4.264 2.799 4.953
178 HG LEU 28 HG LEU 28 -1.971 3.354 4.209
179 HD11 LEU 28 1HD1 LEU 28 -0.885 2.556 6.332
180 HD12 LEU 28 2HD1 LEU 28 -0.096 2.050 4.839
181 HD13 LEU 28 3HD1 LEU 28 -1.101 0.911 5.734
182 HD21 LEU 28 3HD2 LEU 28 -3.210 0.681 3.868
183 HD22 LEU 28 1HD2 LEU 28 -1.581 0.916 3.234
184 HD23 LEU 28 2HD2 LEU 28 -2.900 1.949 2.681
185 H SER 29 H SER 29 -3.847 5.233 4.818
186 HA SER 29 HA SER 29 -1.424 6.264 4.069
187 HB2 SER 29 1HB SER 29 -4.141 7.579 4.161
188 HB3 SER 29 2HB SER 29 -2.735 8.357 3.434
189 HG SER 29 HG SER 29 -3.017 7.160 1.742
190 H MET 30 H MET 30 -3.461 7.286 6.765
191 HA MET 30 HA MET 30 -1.863 9.528 7.484
192 HB2 MET 30 1HB MET 30 -3.225 9.679 9.437
193 HB3 MET 30 2HB MET 30 -4.274 9.188 8.113
194 HG2 MET 30 1HG MET 30 -4.352 6.950 8.890
195 HG3 MET 30 2HG MET 30 -3.063 7.244 10.056
196 HE1 MET 30 3HE MET 30 -7.158 9.287 10.316
197 HE2 MET 30 1HE MET 30 -6.151 9.084 8.882
198 HE3 MET 30 2HE MET 30 -7.095 7.726 9.495
199 H HIS 31 H HIS 31 -1.662 6.135 8.085
200 HA HIS 31 HA HIS 31 0.105 6.400 10.360
201 HB2 HIS 31 1HB HIS 31 -1.109 4.454 10.579
202 HB3 HIS 31 2HB HIS 31 -1.107 4.131 8.848
203 HD1 HIS 31 HD1 HIS 31 0.895 3.595 11.952
204 HD2 HIS 31 HD2 HIS 31 1.111 2.697 7.902
205 HE1 HIS 31 HE1 HIS 31 2.737 1.896 11.738
206 H GLN 32 H GLN 32 0.389 5.250 7.003
207 HA GLN 32 HA GLN 32 2.966 4.505 6.812
208 HB2 GLN 32 1HB GLN 32 1.295 6.144 4.930
209 HB3 GLN 32 2HB GLN 32 2.951 5.716 4.518
210 HG2 GLN 32 1HG GLN 32 2.163 3.297 5.095
211 HG3 GLN 32 2HG GLN 32 0.558 3.968 4.808
212 HE21 GLN 32 1HE2 GLN 32 3.364 2.708 3.407
213 HE22 GLN 32 2HE2 GLN 32 2.966 3.003 1.752
214 H ARG 33 H ARG 33 1.837 7.713 7.475
215 HA ARG 33 HA ARG 33 3.955 9.307 6.751
216 HB2 ARG 33 1HB ARG 33 3.206 10.880 8.352
217 HB3 ARG 33 2HB ARG 33 1.770 10.001 7.842
218 HG2 ARG 33 1HG ARG 33 1.894 8.628 9.862
219 HG3 ARG 33 2HG ARG 33 3.328 9.522 10.374
220 HD2 ARG 33 1HD ARG 33 0.698 10.861 9.795
221 HD3 ARG 33 2HD ARG 33 1.113 10.235 11.390
222 HE ARG 33 HE ARG 33 3.218 11.807 10.828
223 HH11 ARG 33 1HH1 ARG 33 -0.218 12.343 10.658
224 HH12 ARG 33 2HH1 ARG 33 -0.102 14.039 10.990
225 HH21 ARG 33 1HH2 ARG 33 3.384 14.039 11.266
226 HH22 ARG 33 2HH2 ARG 33 1.948 15.003 11.335
227 H ILE 34 H ILE 34 3.608 7.400 9.725
228 HA ILE 34 HA ILE 34 5.834 8.160 11.121
229 HB ILE 34 HB ILE 34 5.856 5.995 12.174
230 HG12 ILE 34 1HG1 ILE 34 3.867 4.925 10.200
231 HG13 ILE 34 2HG1 ILE 34 5.588 4.836 9.842
232 HG21 ILE 34 1HG2 ILE 34 4.020 6.663 13.223
233 HG22 ILE 34 2HG2 ILE 34 3.492 7.552 11.796
234 HG23 ILE 34 3HG2 ILE 34 3.049 5.857 11.992
235 HD11 ILE 34 3HD1 ILE 34 6.003 3.389 11.611
236 HD12 ILE 34 1HD1 ILE 34 4.489 3.792 12.420
237 HD13 ILE 34 2HD1 ILE 34 4.471 2.822 10.947
238 H HIS 35 H HIS 35 5.715 6.457 8.129
239 HA HIS 35 HA HIS 35 8.504 5.613 8.330
240 HB2 HIS 35 1HB HIS 35 6.453 5.162 6.153
241 HB3 HIS 35 2HB HIS 35 8.088 4.508 6.152
242 HD1 HIS 35 HD1 HIS 35 8.608 2.642 7.931
243 HD2 HIS 35 HD2 HIS 35 4.618 3.770 7.678
244 HE1 HIS 35 HE1 HIS 35 7.324 0.844 9.132
245 H ARG 36 H ARG 36 6.445 7.847 6.553
246 HA ARG 36 HA ARG 36 8.289 8.704 4.633
247 HB2 ARG 36 1HB ARG 36 5.885 9.968 5.908
248 HB3 ARG 36 2HB ARG 36 6.888 10.898 4.802
249 HG2 ARG 36 1HG ARG 36 6.510 9.219 3.058
250 HG3 ARG 36 2HG ARG 36 5.483 8.311 4.170
251 HD2 ARG 36 1HD ARG 36 4.008 9.568 2.831
252 HD3 ARG 36 2HD ARG 36 4.087 10.418 4.374
253 HE ARG 36 HE ARG 36 5.089 12.194 3.315
254 HH11 ARG 36 1HH1 ARG 36 5.055 9.435 1.192
255 HH12 ARG 36 2HH1 ARG 36 5.570 10.334 -0.197
256 HH21 ARG 36 1HH2 ARG 36 5.768 13.388 1.494
257 HH22 ARG 36 2HH2 ARG 36 5.977 12.582 -0.023
258 H GLY 37 H GLY 37 10.333 9.006 5.490
259 HA2 GLY 37 1HA GLY 37 10.676 11.522 6.946
260 HA3 GLY 37 2HA GLY 37 11.340 10.069 7.677
261 H GLU 38 H GLU 38 11.273 11.408 4.370
262 HA GLU 38 HA GLU 38 14.183 10.962 4.256
263 HB2 GLU 38 1HB GLU 38 13.967 10.674 1.865
264 HB3 GLU 38 2HB GLU 38 12.856 9.585 2.683
265 HG2 GLU 38 1HG GLU 38 11.057 11.294 2.287
266 HG3 GLU 38 2HG GLU 38 12.204 12.143 1.252
267 H LYS 39 H LYS 39 15.486 12.647 3.885
268 HA LYS 39 HA LYS 39 14.902 15.235 4.279
269 HB2 LYS 39 1HB LYS 39 16.889 15.845 3.001
270 HB3 LYS 39 2HB LYS 39 17.186 14.393 3.949
271 HG2 LYS 39 1HG LYS 39 18.108 13.743 1.982
272 HG3 LYS 39 2HG LYS 39 16.449 13.214 1.698
273 HD2 LYS 39 1HD LYS 39 17.068 14.360 -0.259
274 HD3 LYS 39 2HD LYS 39 16.072 15.503 0.644
275 HE2 LYS 39 1HE LYS 39 17.826 16.857 0.073
276 HE3 LYS 39 2HE LYS 39 18.398 16.245 1.624
277 HZ1 LYS 39 3HZ LYS 39 20.079 16.174 -0.172
278 HZ2 LYS 39 1HZ LYS 39 19.118 15.050 -0.995
279 HZ3 LYS 39 2HZ LYS 39 19.770 14.661 0.516
280 HA PRO 40 HA PRO 40 12.372 16.769 1.029
281 HB2 PRO 40 1HB PRO 40 13.092 19.386 1.056
282 HB3 PRO 40 2HB PRO 40 12.095 18.651 2.317
283 HG2 PRO 40 1HG PRO 40 15.030 19.238 2.325
284 HG3 PRO 40 2HG PRO 40 13.836 19.485 3.613
285 HD2 PRO 40 1HD PRO 40 15.524 17.368 3.579
286 HD3 PRO 40 2HD PRO 40 13.886 17.273 4.258
287 H SER 41 H SER 41 13.096 15.852 -0.868
288 HA SER 41 HA SER 41 15.397 15.960 -2.211
289 HB2 SER 41 1HB SER 41 13.104 15.019 -2.965
290 HB3 SER 41 2HB SER 41 12.882 16.587 -3.741
291 HG SER 41 HG SER 41 14.293 16.057 -5.216
292 H GLY 42 H GLY 42 16.757 17.441 -2.973
293 HA2 GLY 42 1HA GLY 42 16.051 20.237 -2.836
294 HA3 GLY 42 2HA GLY 42 17.621 19.575 -3.265
295 HA PRO 43 HA PRO 43 15.584 21.338 -7.071
296 HB2 PRO 43 1HB PRO 43 17.690 22.891 -7.792
297 HB3 PRO 43 2HB PRO 43 16.423 23.443 -6.691
298 HG2 PRO 43 1HG PRO 43 19.151 22.384 -6.060
299 HG3 PRO 43 2HG PRO 43 18.294 23.764 -5.349
300 HD2 PRO 43 1HD PRO 43 18.437 21.351 -4.128
301 HD3 PRO 43 2HD PRO 43 17.034 22.426 -3.958
302 H SER 44 H SER 44 15.647 19.669 -8.465
303 HA SER 44 HA SER 44 18.283 18.710 -9.366
304 HB2 SER 44 1HB SER 44 16.887 16.985 -8.281
305 HB3 SER 44 2HB SER 44 15.618 17.275 -9.470
306 HG SER 44 HG SER 44 17.537 16.820 -10.997
307 H SER 45 H SER 45 14.958 18.872 -10.654
308 HA SER 45 HA SER 45 15.862 19.068 -13.352
309 HB2 SER 45 1HB SER 45 13.628 18.124 -12.535
310 HB3 SER 45 2HB SER 45 13.102 19.799 -12.373
311 HG SER 45 HG SER 45 13.700 18.328 -14.681
312 H GLY 46 H GLY 46 16.723 20.812 -14.251
313 HA2 GLY 46 1HA GLY 46 15.475 23.344 -14.237
314 HA3 GLY 46 2HA GLY 46 16.807 23.353 -13.090
Start of MODEL 3
1 H1 GLY 1 H GLY 1 -7.258 -22.691 23.658
2 HA2 GLY 1 1HA GLY 1 -8.500 -21.166 25.257
3 HA3 GLY 1 2HA GLY 1 -6.898 -20.615 25.727
4 H SER 2 H SER 2 -8.961 -18.946 24.736
5 HA SER 2 HA SER 2 -7.823 -18.139 22.139
6 HB2 SER 2 1HB SER 2 -10.646 -17.971 23.181
7 HB3 SER 2 2HB SER 2 -10.094 -16.967 21.841
8 HG SER 2 HG SER 2 -10.772 -19.593 21.864
9 H SER 3 H SER 3 -8.124 -15.743 21.707
10 HA SER 3 HA SER 3 -7.542 -14.237 24.173
11 HB2 SER 3 1HB SER 3 -5.605 -14.493 22.617
12 HB3 SER 3 2HB SER 3 -6.529 -13.636 21.383
13 HG SER 3 HG SER 3 -5.774 -11.897 22.269
14 H GLY 4 H GLY 4 -8.761 -13.805 20.846
15 HA2 GLY 4 1HA GLY 4 -10.731 -12.741 20.193
16 HA3 GLY 4 2HA GLY 4 -10.987 -12.244 21.859
17 H SER 5 H SER 5 -8.781 -10.828 22.479
18 HA SER 5 HA SER 5 -9.262 -8.317 21.421
19 HB2 SER 5 1HB SER 5 -7.050 -7.681 22.400
20 HB3 SER 5 2HB SER 5 -8.079 -8.578 23.517
21 HG SER 5 HG SER 5 -5.678 -9.173 23.060
22 H SER 6 H SER 6 -7.854 -6.935 20.121
23 HA SER 6 HA SER 6 -7.032 -6.489 18.030
24 HB2 SER 6 1HB SER 6 -4.996 -7.000 19.423
25 HB3 SER 6 2HB SER 6 -5.032 -8.636 18.767
26 HG SER 6 HG SER 6 -4.242 -6.276 17.588
27 H GLY 7 H GLY 7 -9.176 -8.104 17.736
28 HA2 GLY 7 1HA GLY 7 -8.455 -10.403 16.109
29 HA3 GLY 7 2HA GLY 7 -10.082 -9.895 16.537
30 H THR 8 H THR 8 -8.884 -10.665 13.933
31 HA THR 8 HA THR 8 -10.168 -8.699 12.335
32 HB THR 8 HB THR 8 -8.023 -7.510 12.826
33 HG1 THR 8 HG1 THR 8 -7.968 -8.137 10.090
34 HG21 THR 8 3HG2 THR 8 -6.895 -9.929 11.446
35 HG22 THR 8 1HG2 THR 8 -6.402 -9.202 12.975
36 HG23 THR 8 2HG2 THR 8 -6.041 -8.386 11.454
37 H GLY 9 H GLY 9 -9.599 -9.122 9.905
38 HA2 GLY 9 1HA GLY 9 -9.690 -12.036 9.569
39 HA3 GLY 9 2HA GLY 9 -10.265 -10.848 8.410
40 H GLU 10 H GLU 10 -9.125 -11.133 6.606
41 HA GLU 10 HA GLU 10 -6.191 -11.137 6.833
42 HB2 GLU 10 1HB GLU 10 -7.777 -12.763 4.839
43 HB3 GLU 10 2HB GLU 10 -6.028 -12.734 5.012
44 HG2 GLU 10 1HG GLU 10 -7.951 -13.708 7.113
45 HG3 GLU 10 2HG GLU 10 -7.070 -14.739 5.987
46 H ARG 11 H ARG 11 -8.843 -10.807 4.470
47 HA ARG 11 HA ARG 11 -7.322 -9.158 2.715
48 HB2 ARG 11 1HB ARG 11 -9.280 -10.596 2.051
49 HB3 ARG 11 2HB ARG 11 -10.327 -9.419 2.831
50 HG2 ARG 11 1HG ARG 11 -9.959 -7.819 1.223
51 HG3 ARG 11 2HG ARG 11 -8.404 -8.504 0.748
52 HD2 ARG 11 1HD ARG 11 -10.879 -10.109 0.327
53 HD3 ARG 11 2HD ARG 11 -10.532 -8.776 -0.773
54 HE ARG 11 HE ARG 11 -8.206 -10.205 -0.662
55 HH11 ARG 11 1HH1 ARG 11 -11.518 -10.930 -1.454
56 HH12 ARG 11 2HH1 ARG 11 -11.111 -12.185 -2.576
57 HH21 ARG 11 1HH2 ARG 11 -7.658 -11.856 -2.138
58 HH22 ARG 11 2HH2 ARG 11 -8.915 -12.712 -2.964
59 H HIS 12 H HIS 12 -6.593 -7.270 3.519
60 HA HIS 12 HA HIS 12 -8.422 -5.134 3.928
61 HB2 HIS 12 1HB HIS 12 -7.842 -4.614 6.267
62 HB3 HIS 12 2HB HIS 12 -8.671 -6.162 6.129
63 HD1 HIS 12 HD1 HIS 12 -7.457 -8.207 6.966
64 HD2 HIS 12 HD2 HIS 12 -5.033 -4.836 6.826
65 HE1 HIS 12 HE1 HIS 12 -5.333 -8.857 8.144
66 H TYR 13 H TYR 13 -7.288 -3.081 4.436
67 HA TYR 13 HA TYR 13 -4.934 -2.848 2.870
68 HB2 TYR 13 1HB TYR 13 -6.364 -0.904 4.684
69 HB3 TYR 13 2HB TYR 13 -4.945 -0.468 3.738
70 HD1 TYR 13 HD2 TYR 13 -8.424 -1.737 3.441
71 HD2 TYR 13 HD1 TYR 13 -5.159 0.169 1.490
72 HE1 TYR 13 HE2 TYR 13 -9.870 -1.248 1.513
73 HE2 TYR 13 HE1 TYR 13 -6.596 0.664 -0.444
74 HH TYR 13 HH TYR 13 -10.009 0.236 -0.354
75 H GLU 14 H GLU 14 -3.110 -3.780 3.585
76 HA GLU 14 HA GLU 14 -2.319 -3.353 6.383
77 HB2 GLU 14 1HB GLU 14 -1.718 -5.473 4.367
78 HB3 GLU 14 2HB GLU 14 -0.529 -5.141 5.619
79 HG2 GLU 14 1HG GLU 14 -2.433 -5.439 7.279
80 HG3 GLU 14 2HG GLU 14 -3.342 -6.126 5.934
81 H CYS 15 H CYS 15 -0.154 -2.734 6.871
82 HA CYS 15 HA CYS 15 0.916 -0.848 4.946
83 HB2 CYS 15 1HB CYS 15 0.639 -0.442 7.474
84 HB3 CYS 15 2HB CYS 15 2.077 -1.441 7.661
85 H SER 16 H SER 16 2.407 -1.401 3.515
86 HA SER 16 HA SER 16 3.910 -3.856 3.823
87 HB2 SER 16 1HB SER 16 2.866 -2.946 1.638
88 HB3 SER 16 2HB SER 16 4.268 -1.878 1.581
89 HG SER 16 HG SER 16 4.301 -4.716 1.660
90 H GLU 17 H GLU 17 4.377 -1.368 5.499
91 HA GLU 17 HA GLU 17 7.233 -0.996 4.886
92 HB2 GLU 17 1HB GLU 17 5.436 0.790 6.534
93 HB3 GLU 17 2HB GLU 17 7.112 1.106 6.111
94 HG2 GLU 17 1HG GLU 17 5.136 0.676 3.930
95 HG3 GLU 17 2HG GLU 17 5.149 2.216 4.786
96 H CYS 18 H CYS 18 4.903 -1.558 7.485
97 HA CYS 18 HA CYS 18 7.123 -2.544 9.155
98 HB2 CYS 18 1HB CYS 18 5.735 -1.920 11.126
99 HB3 CYS 18 2HB CYS 18 6.221 -0.536 10.152
100 H GLY 19 H GLY 19 3.693 -2.923 8.341
101 HA2 GLY 19 1HA GLY 19 3.053 -5.266 7.787
102 HA3 GLY 19 2HA GLY 19 3.892 -5.725 9.262
103 H LYS 20 H LYS 20 1.912 -2.853 9.039
104 HA LYS 20 HA LYS 20 0.232 -3.846 11.177
105 HB2 LYS 20 1HB LYS 20 0.362 -1.193 9.740
106 HB3 LYS 20 2HB LYS 20 -0.800 -1.546 11.012
107 HG2 LYS 20 1HG LYS 20 2.075 -2.005 11.590
108 HG3 LYS 20 2HG LYS 20 1.494 -0.340 11.508
109 HD2 LYS 20 1HD LYS 20 1.346 -1.061 13.784
110 HD3 LYS 20 2HD LYS 20 -0.295 -0.968 13.138
111 HE2 LYS 20 1HE LYS 20 1.141 -3.563 12.946
112 HE3 LYS 20 2HE LYS 20 0.553 -3.059 14.530
113 HZ1 LYS 20 3HZ LYS 20 -1.383 -2.749 12.424
114 HZ2 LYS 20 1HZ LYS 20 -1.549 -3.459 13.951
115 HZ3 LYS 20 2HZ LYS 20 -0.909 -4.355 12.666
116 H ALA 21 H ALA 21 -2.204 -2.890 10.828
117 HA ALA 21 HA ALA 21 -3.212 -3.586 8.192
118 HB1 ALA 21 3HB ALA 21 -4.887 -5.177 9.244
119 HB2 ALA 21 1HB ALA 21 -3.228 -5.758 9.097
120 HB3 ALA 21 2HB ALA 21 -3.830 -5.192 10.656
121 H PHE 22 H PHE 22 -4.951 -2.402 7.667
122 HA PHE 22 HA PHE 22 -6.549 -1.190 9.804
123 HB2 PHE 22 1HB PHE 22 -5.628 0.415 7.423
124 HB3 PHE 22 2HB PHE 22 -6.416 0.999 8.885
125 HD1 PHE 22 HD2 PHE 22 -3.272 -0.295 7.482
126 HD2 PHE 22 HD1 PHE 22 -5.173 1.473 10.855
127 HE1 PHE 22 HE2 PHE 22 -1.070 0.160 8.480
128 HE2 PHE 22 HE1 PHE 22 -2.974 1.932 11.858
129 HZ PHE 22 HZ PHE 22 -0.919 1.274 10.672
130 H ILE 23 H ILE 23 -8.689 -1.119 9.394
131 HA ILE 23 HA ILE 23 -9.721 -2.568 7.180
132 HB ILE 23 HB ILE 23 -10.872 -2.542 9.339
133 HG12 ILE 23 1HG1 ILE 23 -12.594 -1.244 7.220
134 HG13 ILE 23 2HG1 ILE 23 -12.109 -2.936 7.187
135 HG21 ILE 23 1HG2 ILE 23 -11.790 -0.671 10.332
136 HG22 ILE 23 2HG2 ILE 23 -10.304 -0.023 9.639
137 HG23 ILE 23 3HG2 ILE 23 -11.844 0.234 8.820
138 HD11 ILE 23 3HD1 ILE 23 -14.396 -2.513 8.072
139 HD12 ILE 23 1HD1 ILE 23 -13.339 -3.402 9.167
140 HD13 ILE 23 2HD1 ILE 23 -13.653 -1.688 9.442
141 H GLN 24 H GLN 24 -9.060 0.778 7.753
142 HA GLN 24 HA GLN 24 -10.366 1.458 5.201
143 HB2 GLN 24 1HB GLN 24 -10.136 2.984 7.768
144 HB3 GLN 24 2HB GLN 24 -10.266 3.857 6.247
145 HG2 GLN 24 1HG GLN 24 -12.372 2.742 5.767
146 HG3 GLN 24 2HG GLN 24 -12.238 1.823 7.266
147 HE21 GLN 24 1HE2 GLN 24 -14.124 3.952 6.144
148 HE22 GLN 24 2HE2 GLN 24 -14.287 5.074 7.447
149 H LYS 25 H LYS 25 -9.192 2.497 3.670
150 HA LYS 25 HA LYS 25 -6.368 2.379 3.807
151 HB2 LYS 25 1HB LYS 25 -7.360 2.148 1.665
152 HB3 LYS 25 2HB LYS 25 -8.281 3.635 1.848
153 HG2 LYS 25 1HG LYS 25 -6.585 4.214 0.376
154 HG3 LYS 25 2HG LYS 25 -6.000 4.805 1.933
155 HD2 LYS 25 1HD LYS 25 -4.513 2.966 2.168
156 HD3 LYS 25 2HD LYS 25 -5.254 2.110 0.813
157 HE2 LYS 25 1HE LYS 25 -3.940 4.789 0.468
158 HE3 LYS 25 2HE LYS 25 -3.015 3.289 0.407
159 HZ1 LYS 25 3HZ LYS 25 -5.309 3.983 -1.348
160 HZ2 LYS 25 1HZ LYS 25 -4.436 2.535 -1.401
161 HZ3 LYS 25 2HZ LYS 25 -3.679 3.994 -1.799
162 H SER 26 H SER 26 -8.680 5.044 4.070
163 HA SER 26 HA SER 26 -6.905 7.180 4.095
164 HB2 SER 26 1HB SER 26 -9.521 6.846 5.581
165 HB3 SER 26 2HB SER 26 -8.667 8.378 5.403
166 HG SER 26 HG SER 26 -10.398 7.814 3.817
167 H THR 27 H THR 27 -8.024 5.156 6.781
168 HA THR 27 HA THR 27 -6.695 6.541 8.837
169 HB THR 27 HB THR 27 -7.588 3.663 8.650
170 HG1 THR 27 HG1 THR 27 -9.006 5.741 8.865
171 HG21 THR 27 3HG2 THR 27 -5.807 4.861 10.548
172 HG22 THR 27 1HG2 THR 27 -6.412 3.206 10.486
173 HG23 THR 27 2HG2 THR 27 -7.324 4.447 11.345
174 H LEU 28 H LEU 28 -5.686 3.871 6.756
175 HA LEU 28 HA LEU 28 -3.256 3.302 8.069
176 HB2 LEU 28 1HB LEU 28 -3.845 1.619 6.646
177 HB3 LEU 28 2HB LEU 28 -4.431 2.726 5.406
178 HG LEU 28 HG LEU 28 -2.037 3.256 4.877
179 HD11 LEU 28 1HD1 LEU 28 -0.287 1.895 5.698
180 HD12 LEU 28 2HD1 LEU 28 -1.414 0.798 6.495
181 HD13 LEU 28 3HD1 LEU 28 -1.197 2.438 7.108
182 HD21 LEU 28 3HD2 LEU 28 -3.128 0.474 4.548
183 HD22 LEU 28 1HD2 LEU 28 -1.634 1.005 3.776
184 HD23 LEU 28 2HD2 LEU 28 -3.157 1.808 3.394
185 H SER 29 H SER 29 -4.023 5.409 5.319
186 HA SER 29 HA SER 29 -1.482 6.209 4.602
187 HB2 SER 29 1HB SER 29 -3.281 6.919 3.231
188 HB3 SER 29 2HB SER 29 -4.105 7.698 4.582
189 HG SER 29 HG SER 29 -1.543 8.590 3.931
190 H MET 30 H MET 30 -3.516 7.401 7.228
191 HA MET 30 HA MET 30 -1.875 9.571 7.979
192 HB2 MET 30 1HB MET 30 -3.677 7.979 9.804
193 HB3 MET 30 2HB MET 30 -3.166 9.650 10.001
194 HG2 MET 30 1HG MET 30 -4.662 8.920 7.544
195 HG3 MET 30 2HG MET 30 -5.545 9.020 9.065
196 HE1 MET 30 3HE MET 30 -4.797 11.090 5.987
197 HE2 MET 30 1HE MET 30 -6.346 10.617 6.687
198 HE3 MET 30 2HE MET 30 -5.886 12.319 6.634
199 H HIS 31 H HIS 31 -1.633 6.171 8.503
200 HA HIS 31 HA HIS 31 0.236 6.436 10.709
201 HB2 HIS 31 1HB HIS 31 -0.998 4.521 11.044
202 HB3 HIS 31 2HB HIS 31 -1.119 4.169 9.323
203 HD1 HIS 31 HD1 HIS 31 1.106 3.673 12.287
204 HD2 HIS 31 HD2 HIS 31 0.962 2.627 8.269
205 HE1 HIS 31 HE1 HIS 31 2.880 1.916 11.986
206 H GLN 32 H GLN 32 0.322 5.076 7.413
207 HA GLN 32 HA GLN 32 2.915 4.368 7.152
208 HB2 GLN 32 1HB GLN 32 1.257 5.890 5.136
209 HB3 GLN 32 2HB GLN 32 2.767 5.071 4.760
210 HG2 GLN 32 1HG GLN 32 1.625 2.973 5.700
211 HG3 GLN 32 2HG GLN 32 0.128 3.888 5.526
212 HE21 GLN 32 1HE2 GLN 32 0.836 1.479 4.166
213 HE22 GLN 32 2HE2 GLN 32 0.871 1.835 2.476
214 H ARG 33 H ARG 33 1.719 7.580 7.588
215 HA ARG 33 HA ARG 33 3.690 9.178 6.542
216 HB2 ARG 33 1HB ARG 33 2.997 10.861 8.029
217 HB3 ARG 33 2HB ARG 33 1.574 9.851 7.811
218 HG2 ARG 33 1HG ARG 33 1.987 8.759 9.934
219 HG3 ARG 33 2HG ARG 33 3.468 9.695 10.146
220 HD2 ARG 33 1HD ARG 33 0.813 11.035 9.756
221 HD3 ARG 33 2HD ARG 33 1.338 10.488 11.348
222 HE ARG 33 HE ARG 33 3.418 11.987 10.340
223 HH11 ARG 33 1HH1 ARG 33 0.060 12.499 11.103
224 HH12 ARG 33 2HH1 ARG 33 0.268 14.176 11.486
225 HH21 ARG 33 1HH2 ARG 33 3.705 14.193 10.841
226 HH22 ARG 33 2HH2 ARG 33 2.342 15.139 11.335
227 H ILE 34 H ILE 34 3.727 7.438 9.625
228 HA ILE 34 HA ILE 34 6.097 8.443 10.675
229 HB ILE 34 HB ILE 34 6.225 6.460 12.040
230 HG12 ILE 34 1HG1 ILE 34 3.975 5.169 10.541
231 HG13 ILE 34 2HG1 ILE 34 5.623 4.982 9.953
232 HG21 ILE 34 1HG2 ILE 34 3.657 7.818 11.581
233 HG22 ILE 34 2HG2 ILE 34 3.566 6.318 12.502
234 HG23 ILE 34 3HG2 ILE 34 4.598 7.634 13.061
235 HD11 ILE 34 3HD1 ILE 34 4.959 4.377 12.800
236 HD12 ILE 34 1HD1 ILE 34 4.633 3.201 11.527
237 HD13 ILE 34 2HD1 ILE 34 6.280 3.767 11.803
238 H HIS 35 H HIS 35 5.578 6.203 8.082
239 HA HIS 35 HA HIS 35 8.346 5.312 8.067
240 HB2 HIS 35 1HB HIS 35 6.065 4.697 6.176
241 HB3 HIS 35 2HB HIS 35 7.656 3.944 6.129
242 HD1 HIS 35 HD1 HIS 35 8.181 3.064 8.894
243 HD2 HIS 35 HD2 HIS 35 4.372 2.893 7.243
244 HE1 HIS 35 HE1 HIS 35 6.939 1.344 10.245
245 H ARG 36 H ARG 36 7.182 8.133 7.378
246 HA ARG 36 HA ARG 36 9.085 8.628 5.247
247 HB2 ARG 36 1HB ARG 36 7.460 9.813 3.833
248 HB3 ARG 36 2HB ARG 36 7.060 8.108 3.993
249 HG2 ARG 36 1HG ARG 36 5.203 8.526 5.293
250 HG3 ARG 36 2HG ARG 36 5.798 10.102 5.819
251 HD2 ARG 36 1HD ARG 36 5.591 10.702 3.287
252 HD3 ARG 36 2HD ARG 36 4.490 9.325 3.249
253 HE ARG 36 HE ARG 36 3.542 10.756 5.314
254 HH11 ARG 36 1HH1 ARG 36 4.411 11.637 2.060
255 HH12 ARG 36 2HH1 ARG 36 3.252 12.921 1.960
256 HH21 ARG 36 1HH2 ARG 36 2.013 12.444 5.194
257 HH22 ARG 36 2HH2 ARG 36 1.889 13.380 3.743
258 H GLY 37 H GLY 37 9.954 10.651 5.331
259 HA2 GLY 37 1HA GLY 37 10.233 12.858 5.985
260 HA3 GLY 37 2HA GLY 37 8.645 12.803 6.735
261 H GLU 38 H GLU 38 11.407 10.678 7.346
262 HA GLU 38 HA GLU 38 11.715 11.889 10.000
263 HB2 GLU 38 1HB GLU 38 10.234 9.926 10.226
264 HB3 GLU 38 2HB GLU 38 11.474 8.918 9.494
265 HG2 GLU 38 1HG GLU 38 12.964 9.787 11.429
266 HG3 GLU 38 2HG GLU 38 11.427 10.198 12.189
267 H LYS 39 H LYS 39 13.762 11.585 10.967
268 HA LYS 39 HA LYS 39 15.864 10.864 9.039
269 HB2 LYS 39 1HB LYS 39 15.631 13.227 10.182
270 HB3 LYS 39 2HB LYS 39 16.419 12.421 11.531
271 HG2 LYS 39 1HG LYS 39 17.591 12.263 8.787
272 HG3 LYS 39 2HG LYS 39 17.851 13.688 9.796
273 HD2 LYS 39 1HD LYS 39 18.332 11.003 10.988
274 HD3 LYS 39 2HD LYS 39 19.517 11.636 9.843
275 HE2 LYS 39 1HE LYS 39 20.052 12.177 12.197
276 HE3 LYS 39 2HE LYS 39 19.836 13.607 11.189
277 HZ1 LYS 39 3HZ LYS 39 17.656 13.924 12.089
278 HZ2 LYS 39 1HZ LYS 39 18.741 13.767 13.377
279 HZ3 LYS 39 2HZ LYS 39 17.736 12.473 12.955
280 HA PRO 40 HA PRO 40 16.017 7.491 12.182
281 HB2 PRO 40 1HB PRO 40 16.636 5.553 10.385
282 HB3 PRO 40 2HB PRO 40 14.975 6.053 10.725
283 HG2 PRO 40 1HG PRO 40 16.765 6.843 8.459
284 HG3 PRO 40 2HG PRO 40 15.045 6.413 8.428
285 HD2 PRO 40 1HD PRO 40 15.905 8.979 8.365
286 HD3 PRO 40 2HD PRO 40 14.380 8.503 9.138
287 H SER 41 H SER 41 17.874 7.932 13.260
288 HA SER 41 HA SER 41 20.416 8.047 11.884
289 HB2 SER 41 1HB SER 41 19.750 9.528 13.850
290 HB3 SER 41 2HB SER 41 19.981 8.109 14.871
291 HG SER 41 HG SER 41 21.816 9.790 14.095
292 H GLY 42 H GLY 42 21.803 6.417 11.640
293 HA2 GLY 42 1HA GLY 42 22.978 4.553 12.764
294 HA3 GLY 42 2HA GLY 42 21.396 4.003 13.296
295 HA PRO 43 HA PRO 43 21.125 1.390 9.790
296 HB2 PRO 43 1HB PRO 43 18.444 1.356 9.364
297 HB3 PRO 43 2HB PRO 43 19.210 0.531 10.726
298 HG2 PRO 43 1HG PRO 43 17.827 3.185 10.654
299 HG3 PRO 43 2HG PRO 43 17.716 1.898 11.869
300 HD2 PRO 43 1HD PRO 43 19.246 4.104 12.220
301 HD3 PRO 43 2HD PRO 43 19.685 2.520 12.892
302 H SER 44 H SER 44 20.663 4.644 9.586
303 HA SER 44 HA SER 44 19.313 5.394 7.415
304 HB2 SER 44 1HB SER 44 22.196 6.151 7.954
305 HB3 SER 44 2HB SER 44 21.091 7.041 6.906
306 HG SER 44 HG SER 44 20.019 7.764 8.614
307 H SER 45 H SER 45 22.492 3.811 7.254
308 HA SER 45 HA SER 45 22.177 3.485 4.364
309 HB2 SER 45 1HB SER 45 24.336 4.329 5.111
310 HB3 SER 45 2HB SER 45 24.538 2.942 6.181
311 HG SER 45 HG SER 45 25.451 3.049 3.829
312 H GLY 46 H GLY 46 20.984 1.768 3.822
313 HA2 GLY 46 1HA GLY 46 21.571 -0.786 5.190
314 HA3 GLY 46 2HA GLY 46 19.951 -0.334 4.679
Start of MODEL 4
1 H1 GLY 1 H GLY 1 -9.331 -27.445 20.827
2 HA2 GLY 1 1HA GLY 1 -11.449 -26.607 22.351
3 HA3 GLY 1 2HA GLY 1 -10.041 -26.290 23.353
4 H SER 2 H SER 2 -10.568 -25.991 19.847
5 HA SER 2 HA SER 2 -9.234 -23.442 19.819
6 HB2 SER 2 1HB SER 2 -10.721 -24.841 17.583
7 HB3 SER 2 2HB SER 2 -9.587 -23.501 17.410
8 HG SER 2 HG SER 2 -9.108 -26.188 17.808
9 H SER 3 H SER 3 -10.629 -22.231 21.205
10 HA SER 3 HA SER 3 -13.124 -21.379 19.885
11 HB2 SER 3 1HB SER 3 -13.452 -22.645 22.037
12 HB3 SER 3 2HB SER 3 -12.601 -21.341 22.865
13 HG SER 3 HG SER 3 -14.741 -20.849 22.995
14 H GLY 4 H GLY 4 -12.248 -19.636 18.799
15 HA2 GLY 4 1HA GLY 4 -12.063 -17.203 20.202
16 HA3 GLY 4 2HA GLY 4 -10.438 -17.774 19.853
17 H SER 5 H SER 5 -13.530 -17.626 18.077
18 HA SER 5 HA SER 5 -12.075 -16.303 15.882
19 HB2 SER 5 1HB SER 5 -14.189 -18.456 15.732
20 HB3 SER 5 2HB SER 5 -13.737 -17.463 14.347
21 HG SER 5 HG SER 5 -12.187 -19.345 15.763
22 H SER 6 H SER 6 -12.866 -14.400 15.275
23 HA SER 6 HA SER 6 -15.618 -13.765 15.157
24 HB2 SER 6 1HB SER 6 -15.149 -13.721 17.674
25 HB3 SER 6 2HB SER 6 -14.177 -12.284 17.356
26 HG SER 6 HG SER 6 -16.746 -12.343 16.288
27 H GLY 7 H GLY 7 -16.012 -11.713 14.232
28 HA2 GLY 7 1HA GLY 7 -14.889 -9.483 13.764
29 HA3 GLY 7 2HA GLY 7 -13.578 -10.463 13.124
30 H THR 8 H THR 8 -14.854 -8.518 11.603
31 HA THR 8 HA THR 8 -16.239 -10.184 9.606
32 HB THR 8 HB THR 8 -18.017 -8.868 10.222
33 HG1 THR 8 HG1 THR 8 -17.461 -8.418 7.996
34 HG21 THR 8 3HG2 THR 8 -17.826 -6.500 10.921
35 HG22 THR 8 1HG2 THR 8 -16.077 -6.610 10.731
36 HG23 THR 8 2HG2 THR 8 -16.895 -7.590 11.948
37 H GLY 9 H GLY 9 -15.525 -10.038 7.545
38 HA2 GLY 9 1HA GLY 9 -14.602 -8.502 5.807
39 HA3 GLY 9 2HA GLY 9 -13.410 -8.042 7.013
40 H GLU 10 H GLU 10 -12.919 -9.106 4.377
41 HA GLU 10 HA GLU 10 -11.672 -11.684 5.074
42 HB2 GLU 10 1HB GLU 10 -12.493 -10.649 2.355
43 HB3 GLU 10 2HB GLU 10 -11.697 -12.186 2.658
44 HG2 GLU 10 1HG GLU 10 -14.236 -11.624 4.086
45 HG3 GLU 10 2HG GLU 10 -14.309 -12.000 2.365
46 H ARG 11 H ARG 11 -11.212 -8.719 3.169
47 HA ARG 11 HA ARG 11 -8.307 -9.053 3.529
48 HB2 ARG 11 1HB ARG 11 -9.372 -9.322 1.140
49 HB3 ARG 11 2HB ARG 11 -9.416 -7.564 1.183
50 HG2 ARG 11 1HG ARG 11 -7.390 -7.858 0.208
51 HG3 ARG 11 2HG ARG 11 -6.890 -7.883 1.900
52 HD2 ARG 11 1HD ARG 11 -7.673 -10.434 0.564
53 HD3 ARG 11 2HD ARG 11 -6.084 -9.742 0.240
54 HE ARG 11 HE ARG 11 -6.706 -9.952 3.038
55 HH11 ARG 11 1HH1 ARG 11 -5.415 -11.602 0.258
56 HH12 ARG 11 2HH1 ARG 11 -4.470 -12.713 1.194
57 HH21 ARG 11 1HH2 ARG 11 -5.467 -11.409 4.281
58 HH22 ARG 11 2HH2 ARG 11 -4.501 -12.602 3.482
59 H HIS 12 H HIS 12 -7.092 -7.179 3.893
60 HA HIS 12 HA HIS 12 -8.533 -4.660 4.227
61 HB2 HIS 12 1HB HIS 12 -7.713 -4.311 6.479
62 HB3 HIS 12 2HB HIS 12 -8.612 -5.825 6.421
63 HD1 HIS 12 HD1 HIS 12 -7.504 -7.517 7.823
64 HD2 HIS 12 HD2 HIS 12 -4.745 -5.057 5.924
65 HE1 HIS 12 HE1 HIS 12 -5.245 -8.372 8.525
66 H TYR 13 H TYR 13 -7.008 -2.835 4.688
67 HA TYR 13 HA TYR 13 -4.737 -3.058 2.913
68 HB2 TYR 13 1HB TYR 13 -5.528 -0.624 4.507
69 HB3 TYR 13 2HB TYR 13 -4.616 -0.688 3.003
70 HD1 TYR 13 HD1 TYR 13 -5.777 -1.197 0.874
71 HD2 TYR 13 HD2 TYR 13 -7.917 -0.637 4.508
72 HE1 TYR 13 HE1 TYR 13 -7.853 -0.875 -0.405
73 HE2 TYR 13 HE2 TYR 13 -9.999 -0.315 3.239
74 HH TYR 13 HH TYR 13 -10.896 -0.975 0.976
75 H GLU 14 H GLU 14 -2.891 -3.855 3.662
76 HA GLU 14 HA GLU 14 -2.123 -3.307 6.443
77 HB2 GLU 14 1HB GLU 14 -2.229 -5.693 5.291
78 HB3 GLU 14 2HB GLU 14 -0.624 -5.239 4.735
79 HG2 GLU 14 1HG GLU 14 -0.063 -4.761 7.150
80 HG3 GLU 14 2HG GLU 14 -1.582 -5.553 7.562
81 H CYS 15 H CYS 15 -0.266 -2.251 6.953
82 HA CYS 15 HA CYS 15 0.863 -0.487 5.076
83 HB2 CYS 15 1HB CYS 15 0.791 -0.170 7.575
84 HB3 CYS 15 2HB CYS 15 2.104 -1.336 7.696
85 H SER 16 H SER 16 2.282 -0.873 3.522
86 HA SER 16 HA SER 16 3.760 -3.361 3.472
87 HB2 SER 16 1HB SER 16 4.323 -2.799 1.211
88 HB3 SER 16 2HB SER 16 2.632 -2.358 1.444
89 HG SER 16 HG SER 16 3.356 -0.194 1.793
90 H GLU 17 H GLU 17 4.421 -1.305 5.479
91 HA GLU 17 HA GLU 17 7.232 -0.848 4.718
92 HB2 GLU 17 1HB GLU 17 5.541 0.835 6.574
93 HB3 GLU 17 2HB GLU 17 7.227 1.124 6.170
94 HG2 GLU 17 1HG GLU 17 5.218 0.990 3.979
95 HG3 GLU 17 2HG GLU 17 5.315 2.441 4.975
96 H CYS 18 H CYS 18 5.000 -1.552 7.371
97 HA CYS 18 HA CYS 18 7.232 -2.847 8.793
98 HB2 CYS 18 1HB CYS 18 6.056 -2.240 10.920
99 HB3 CYS 18 2HB CYS 18 6.677 -0.857 10.024
100 H GLY 19 H GLY 19 3.689 -2.741 8.460
101 HA2 GLY 19 1HA GLY 19 2.727 -4.952 7.746
102 HA3 GLY 19 2HA GLY 19 3.654 -5.630 9.077
103 H LYS 20 H LYS 20 1.486 -2.822 8.706
104 HA LYS 20 HA LYS 20 0.051 -3.756 11.104
105 HB2 LYS 20 1HB LYS 20 1.311 -1.479 11.066
106 HB3 LYS 20 2HB LYS 20 -0.051 -0.929 10.098
107 HG2 LYS 20 1HG LYS 20 -1.575 -1.273 11.853
108 HG3 LYS 20 2HG LYS 20 -0.418 -2.236 12.775
109 HD2 LYS 20 1HD LYS 20 0.865 -0.349 13.340
110 HD3 LYS 20 2HD LYS 20 0.098 0.647 12.100
111 HE2 LYS 20 1HE LYS 20 -1.572 -0.519 14.281
112 HE3 LYS 20 2HE LYS 20 -0.572 0.892 14.624
113 HZ1 LYS 20 3HZ LYS 20 -2.737 0.664 12.611
114 HZ2 LYS 20 1HZ LYS 20 -1.658 1.966 12.667
115 HZ3 LYS 20 2HZ LYS 20 -2.694 1.669 13.971
116 H ALA 21 H ALA 21 -2.067 -4.189 10.962
117 HA ALA 21 HA ALA 21 -3.338 -3.949 8.354
118 HB1 ALA 21 3HB ALA 21 -3.597 -6.086 9.304
119 HB2 ALA 21 1HB ALA 21 -4.062 -5.422 10.871
120 HB3 ALA 21 2HB ALA 21 -5.162 -5.296 9.497
121 H PHE 22 H PHE 22 -5.157 -2.764 7.921
122 HA PHE 22 HA PHE 22 -6.229 -1.092 10.088
123 HB2 PHE 22 1HB PHE 22 -5.522 -0.155 7.299
124 HB3 PHE 22 2HB PHE 22 -6.358 0.812 8.510
125 HD1 PHE 22 HD2 PHE 22 -3.162 -0.737 7.583
126 HD2 PHE 22 HD1 PHE 22 -5.179 1.817 10.326
127 HE1 PHE 22 HE2 PHE 22 -0.994 0.026 8.461
128 HE2 PHE 22 HE1 PHE 22 -3.014 2.584 11.209
129 HZ PHE 22 HZ PHE 22 -0.918 1.688 10.277
130 H ILE 23 H ILE 23 -8.218 0.207 8.965
131 HA ILE 23 HA ILE 23 -9.952 -1.924 7.918
132 HB ILE 23 HB ILE 23 -10.712 -0.958 10.023
133 HG12 ILE 23 1HG1 ILE 23 -12.538 0.128 7.892
134 HG13 ILE 23 2HG1 ILE 23 -12.298 -1.605 8.089
135 HG21 ILE 23 1HG2 ILE 23 -10.859 1.668 8.549
136 HG22 ILE 23 2HG2 ILE 23 -11.344 1.371 10.218
137 HG23 ILE 23 3HG2 ILE 23 -9.646 1.245 9.758
138 HD11 ILE 23 3HD1 ILE 23 -13.158 -1.520 10.326
139 HD12 ILE 23 1HD1 ILE 23 -13.261 0.239 10.260
140 HD13 ILE 23 2HD1 ILE 23 -14.305 -0.745 9.233
141 H GLN 24 H GLN 24 -9.163 1.511 7.494
142 HA GLN 24 HA GLN 24 -10.159 1.302 4.731
143 HB2 GLN 24 1HB GLN 24 -10.413 3.652 6.612
144 HB3 GLN 24 2HB GLN 24 -10.793 3.710 4.896
145 HG2 GLN 24 1HG GLN 24 -12.463 1.886 5.304
146 HG3 GLN 24 2HG GLN 24 -12.178 2.111 7.029
147 HE21 GLN 24 1HE2 GLN 24 -14.358 2.730 4.829
148 HE22 GLN 24 2HE2 GLN 24 -14.936 4.278 5.333
149 H LYS 25 H LYS 25 -9.040 2.503 3.153
150 HA LYS 25 HA LYS 25 -6.290 2.515 3.300
151 HB2 LYS 25 1HB LYS 25 -8.283 3.826 1.523
152 HB3 LYS 25 2HB LYS 25 -6.622 4.398 1.430
153 HG2 LYS 25 1HG LYS 25 -7.095 1.469 1.318
154 HG3 LYS 25 2HG LYS 25 -7.513 2.440 -0.096
155 HD2 LYS 25 1HD LYS 25 -5.208 3.393 -0.035
156 HD3 LYS 25 2HD LYS 25 -4.824 2.255 1.259
157 HE2 LYS 25 1HE LYS 25 -4.054 1.314 -0.796
158 HE3 LYS 25 2HE LYS 25 -5.474 0.403 -0.285
159 HZ1 LYS 25 3HZ LYS 25 -5.579 0.877 -2.634
160 HZ2 LYS 25 1HZ LYS 25 -5.418 2.537 -2.350
161 HZ3 LYS 25 2HZ LYS 25 -6.807 1.721 -1.834
162 H SER 26 H SER 26 -8.524 5.193 3.924
163 HA SER 26 HA SER 26 -6.653 7.226 4.286
164 HB2 SER 26 1HB SER 26 -9.417 6.767 5.380
165 HB3 SER 26 2HB SER 26 -8.477 8.177 5.869
166 HG SER 26 HG SER 26 -9.704 8.731 4.088
167 H THR 27 H THR 27 -8.116 5.085 6.726
168 HA THR 27 HA THR 27 -6.809 6.056 8.970
169 HB THR 27 HB THR 27 -7.616 3.199 8.389
170 HG1 THR 27 HG1 THR 27 -8.947 5.412 9.581
171 HG21 THR 27 3HG2 THR 27 -7.176 2.628 10.545
172 HG22 THR 27 1HG2 THR 27 -7.502 4.250 11.156
173 HG23 THR 27 2HG2 THR 27 -5.961 3.894 10.377
174 H LEU 28 H LEU 28 -5.698 3.753 6.545
175 HA LEU 28 HA LEU 28 -3.347 2.954 7.914
176 HB2 LEU 28 1HB LEU 28 -3.900 1.470 6.266
177 HB3 LEU 28 2HB LEU 28 -4.390 2.735 5.141
178 HG LEU 28 HG LEU 28 -1.931 3.266 4.868
179 HD11 LEU 28 1HD1 LEU 28 -1.709 0.680 6.392
180 HD12 LEU 28 2HD1 LEU 28 -0.999 2.242 6.800
181 HD13 LEU 28 3HD1 LEU 28 -0.412 1.346 5.399
182 HD21 LEU 28 3HD2 LEU 28 -3.223 2.045 3.192
183 HD22 LEU 28 1HD2 LEU 28 -2.892 0.531 4.033
184 HD23 LEU 28 2HD2 LEU 28 -1.571 1.436 3.293
185 H SER 29 H SER 29 -3.842 5.227 5.212
186 HA SER 29 HA SER 29 -1.297 6.117 4.812
187 HB2 SER 29 1HB SER 29 -2.269 8.254 4.069
188 HB3 SER 29 2HB SER 29 -3.217 6.886 3.487
189 HG SER 29 HG SER 29 -3.944 8.920 5.136
190 H MET 30 H MET 30 -3.573 7.344 7.252
191 HA MET 30 HA MET 30 -2.095 9.371 8.356
192 HB2 MET 30 1HB MET 30 -3.737 7.377 9.924
193 HB3 MET 30 2HB MET 30 -3.329 9.015 10.417
194 HG2 MET 30 1HG MET 30 -4.544 9.619 8.154
195 HG3 MET 30 2HG MET 30 -5.326 8.066 8.442
196 HE1 MET 30 3HE MET 30 -8.202 8.961 10.285
197 HE2 MET 30 1HE MET 30 -7.936 9.859 8.790
198 HE3 MET 30 2HE MET 30 -7.390 8.187 8.923
199 H HIS 31 H HIS 31 -1.672 5.917 8.763
200 HA HIS 31 HA HIS 31 0.342 6.254 10.823
201 HB2 HIS 31 1HB HIS 31 -0.814 4.303 11.236
202 HB3 HIS 31 2HB HIS 31 -1.015 3.933 9.526
203 HD1 HIS 31 HD1 HIS 31 1.393 3.553 12.364
204 HD2 HIS 31 HD2 HIS 31 1.052 2.449 8.374
205 HE1 HIS 31 HE1 HIS 31 3.209 1.857 11.978
206 H GLN 32 H GLN 32 0.267 4.821 7.555
207 HA GLN 32 HA GLN 32 2.850 4.220 7.113
208 HB2 GLN 32 1HB GLN 32 0.747 5.379 5.354
209 HB3 GLN 32 2HB GLN 32 2.389 5.316 4.728
210 HG2 GLN 32 1HG GLN 32 2.378 2.860 5.348
211 HG3 GLN 32 2HG GLN 32 0.640 3.036 5.588
212 HE21 GLN 32 1HE2 GLN 32 -0.474 4.161 3.685
213 HE22 GLN 32 2HE2 GLN 32 -0.025 3.598 2.115
214 H ARG 33 H ARG 33 1.574 7.407 7.574
215 HA ARG 33 HA ARG 33 3.473 9.026 6.410
216 HB2 ARG 33 1HB ARG 33 2.819 10.731 7.937
217 HB3 ARG 33 2HB ARG 33 1.392 9.751 7.632
218 HG2 ARG 33 1HG ARG 33 1.837 8.542 9.755
219 HG3 ARG 33 2HG ARG 33 3.155 9.673 10.069
220 HD2 ARG 33 1HD ARG 33 0.724 10.071 11.028
221 HD3 ARG 33 2HD ARG 33 1.744 11.410 10.506
222 HE ARG 33 HE ARG 33 -0.664 10.446 9.224
223 HH11 ARG 33 1HH1 ARG 33 2.228 12.361 8.932
224 HH12 ARG 33 2HH1 ARG 33 1.614 13.327 7.631
225 HH21 ARG 33 1HH2 ARG 33 -1.484 11.710 7.512
226 HH22 ARG 33 2HH2 ARG 33 -0.498 12.956 6.825
227 H ILE 34 H ILE 34 3.600 7.470 9.598
228 HA ILE 34 HA ILE 34 5.946 8.543 10.570
229 HB ILE 34 HB ILE 34 6.183 6.587 11.957
230 HG12 ILE 34 1HG1 ILE 34 3.971 5.145 10.567
231 HG13 ILE 34 2HG1 ILE 34 5.579 5.083 9.854
232 HG21 ILE 34 1HG2 ILE 34 3.663 7.956 11.586
233 HG22 ILE 34 2HG2 ILE 34 3.437 6.352 12.282
234 HG23 ILE 34 3HG2 ILE 34 4.498 7.516 13.075
235 HD11 ILE 34 3HD1 ILE 34 5.077 3.174 11.328
236 HD12 ILE 34 1HD1 ILE 34 6.479 4.107 11.853
237 HD13 ILE 34 2HD1 ILE 34 4.934 4.294 12.683
238 H HIS 35 H HIS 35 5.510 6.363 7.942
239 HA HIS 35 HA HIS 35 8.293 5.515 7.930
240 HB2 HIS 35 1HB HIS 35 5.955 4.886 6.123
241 HB3 HIS 35 2HB HIS 35 7.586 4.290 5.834
242 HD1 HIS 35 HD1 HIS 35 8.553 2.625 7.667
243 HD2 HIS 35 HD2 HIS 35 4.494 3.460 7.959
244 HE1 HIS 35 HE1 HIS 35 7.607 0.844 9.170
245 H ARG 36 H ARG 36 7.227 8.351 7.404
246 HA ARG 36 HA ARG 36 8.828 8.788 4.978
247 HB2 ARG 36 1HB ARG 36 6.124 9.942 5.635
248 HB3 ARG 36 2HB ARG 36 7.209 10.706 4.482
249 HG2 ARG 36 1HG ARG 36 5.746 9.410 3.195
250 HG3 ARG 36 2HG ARG 36 7.245 8.481 3.264
251 HD2 ARG 36 1HD ARG 36 6.341 6.861 4.597
252 HD3 ARG 36 2HD ARG 36 5.195 7.969 5.350
253 HE ARG 36 HE ARG 36 3.679 7.478 3.700
254 HH11 ARG 36 1HH1 ARG 36 6.823 6.307 2.771
255 HH12 ARG 36 2HH1 ARG 36 6.235 5.428 1.399
256 HH21 ARG 36 1HH2 ARG 36 2.892 6.325 1.896
257 HH22 ARG 36 2HH2 ARG 36 3.999 5.440 0.902
258 H GLY 37 H GLY 37 7.579 10.050 8.016
259 HA2 GLY 37 1HA GLY 37 8.994 12.519 7.931
260 HA3 GLY 37 2HA GLY 37 8.277 11.784 9.357
261 H GLU 38 H GLU 38 9.512 10.100 10.454
262 HA GLU 38 HA GLU 38 12.412 10.357 10.005
263 HB2 GLU 38 1HB GLU 38 10.942 10.319 12.645
264 HB3 GLU 38 2HB GLU 38 12.688 10.188 12.483
265 HG2 GLU 38 1HG GLU 38 11.004 12.529 11.625
266 HG3 GLU 38 2HG GLU 38 12.022 12.449 13.061
267 H LYS 39 H LYS 39 13.632 8.574 11.215
268 HA LYS 39 HA LYS 39 12.126 6.051 11.184
269 HB2 LYS 39 1HB LYS 39 14.774 6.571 9.825
270 HB3 LYS 39 2HB LYS 39 14.094 4.969 10.076
271 HG2 LYS 39 1HG LYS 39 12.293 5.398 8.612
272 HG3 LYS 39 2HG LYS 39 12.645 7.127 8.570
273 HD2 LYS 39 1HD LYS 39 14.792 6.629 7.455
274 HD3 LYS 39 2HD LYS 39 14.363 4.917 7.440
275 HE2 LYS 39 1HE LYS 39 13.834 5.809 5.294
276 HE3 LYS 39 2HE LYS 39 12.314 5.532 6.141
277 HZ1 LYS 39 3HZ LYS 39 12.621 8.005 6.823
278 HZ2 LYS 39 1HZ LYS 39 12.001 7.622 5.296
279 HZ3 LYS 39 2HZ LYS 39 13.623 8.071 5.462
280 HA PRO 40 HA PRO 40 14.154 5.235 14.996
281 HB2 PRO 40 1HB PRO 40 14.123 2.520 14.982
282 HB3 PRO 40 2HB PRO 40 12.674 3.496 15.254
283 HG2 PRO 40 1HG PRO 40 13.611 2.154 12.748
284 HG3 PRO 40 2HG PRO 40 11.976 2.235 13.430
285 HD2 PRO 40 1HD PRO 40 12.786 3.829 11.397
286 HD3 PRO 40 2HD PRO 40 11.603 4.357 12.611
287 H SER 41 H SER 41 15.415 4.051 11.998
288 HA SER 41 HA SER 41 17.773 2.826 12.987
289 HB2 SER 41 1HB SER 41 17.022 2.298 10.759
290 HB3 SER 41 2HB SER 41 17.107 3.992 10.276
291 HG SER 41 HG SER 41 19.302 3.902 10.326
292 H GLY 42 H GLY 42 19.367 3.809 14.029
293 HA2 GLY 42 1HA GLY 42 20.165 6.505 13.135
294 HA3 GLY 42 2HA GLY 42 19.981 6.142 14.844
295 HA PRO 43 HA PRO 43 24.310 5.087 13.103
296 HB2 PRO 43 1HB PRO 43 25.656 7.310 13.888
297 HB3 PRO 43 2HB PRO 43 24.897 7.158 12.299
298 HG2 PRO 43 1HG PRO 43 23.890 8.541 14.755
299 HG3 PRO 43 2HG PRO 43 23.846 9.084 13.068
300 HD2 PRO 43 1HD PRO 43 21.694 8.003 14.306
301 HD3 PRO 43 2HD PRO 43 22.000 7.798 12.569
302 H SER 44 H SER 44 25.130 3.686 14.517
303 HA SER 44 HA SER 44 24.839 4.005 17.345
304 HB2 SER 44 1HB SER 44 25.860 1.858 17.535
305 HB3 SER 44 2HB SER 44 24.858 1.799 16.086
306 HG SER 44 HG SER 44 26.585 1.457 14.950
307 H SER 45 H SER 45 26.533 4.140 18.897
308 HA SER 45 HA SER 45 28.667 5.909 18.055
309 HB2 SER 45 1HB SER 45 27.716 4.944 20.751
310 HB3 SER 45 2HB SER 45 29.169 5.924 20.560
311 HG SER 45 HG SER 45 26.849 6.831 19.318
312 H GLY 46 H GLY 46 30.281 4.843 17.037
313 HA2 GLY 46 1HA GLY 46 32.218 3.455 18.445
314 HA3 GLY 46 2HA GLY 46 31.160 2.233 17.754
Start of MODEL 5
1 H1 GLY 1 H GLY 1 10.162 -23.119 -11.583
2 HA2 GLY 1 1HA GLY 1 9.230 -20.553 -12.668
3 HA3 GLY 1 2HA GLY 1 8.075 -21.866 -12.496
4 H SER 2 H SER 2 9.524 -19.231 -10.986
5 HA SER 2 HA SER 2 8.930 -20.172 -8.286
6 HB2 SER 2 1HB SER 2 10.219 -17.619 -9.277
7 HB3 SER 2 2HB SER 2 9.959 -18.011 -7.578
8 HG SER 2 HG SER 2 11.350 -19.750 -7.794
9 H SER 3 H SER 3 6.688 -19.923 -9.901
10 HA SER 3 HA SER 3 5.355 -17.484 -9.845
11 HB2 SER 3 1HB SER 3 4.383 -20.333 -9.835
12 HB3 SER 3 2HB SER 3 3.248 -18.984 -9.798
13 HG SER 3 HG SER 3 3.782 -18.452 -11.800
14 H GLY 4 H GLY 4 5.460 -16.323 -7.977
15 HA2 GLY 4 1HA GLY 4 3.594 -16.787 -5.953
16 HA3 GLY 4 2HA GLY 4 5.141 -17.395 -5.382
17 H SER 5 H SER 5 3.905 -14.505 -7.071
18 HA SER 5 HA SER 5 5.705 -12.879 -5.410
19 HB2 SER 5 1HB SER 5 4.296 -12.108 -7.976
20 HB3 SER 5 2HB SER 5 5.501 -11.151 -7.114
21 HG SER 5 HG SER 5 6.934 -12.199 -8.217
22 H SER 6 H SER 6 2.433 -12.748 -6.821
23 HA SER 6 HA SER 6 1.622 -11.012 -4.590
24 HB2 SER 6 1HB SER 6 -0.167 -10.217 -5.975
25 HB3 SER 6 2HB SER 6 1.298 -10.192 -6.957
26 HG SER 6 HG SER 6 0.408 -11.575 -8.255
27 H GLY 7 H GLY 7 0.628 -13.861 -6.455
28 HA2 GLY 7 1HA GLY 7 -0.988 -15.457 -6.009
29 HA3 GLY 7 2HA GLY 7 -0.173 -15.488 -4.453
30 H THR 8 H THR 8 -1.554 -15.385 -2.826
31 HA THR 8 HA THR 8 -4.210 -14.925 -2.838
32 HB THR 8 HB THR 8 -2.374 -13.986 -0.626
33 HG1 THR 8 HG1 THR 8 -2.089 -16.038 -0.212
34 HG21 THR 8 3HG2 THR 8 -5.052 -13.555 -0.826
35 HG22 THR 8 1HG2 THR 8 -4.181 -13.721 0.698
36 HG23 THR 8 2HG2 THR 8 -5.017 -15.110 0.004
37 H GLY 9 H GLY 9 -5.384 -13.311 -3.633
38 HA2 GLY 9 1HA GLY 9 -4.415 -10.751 -4.236
39 HA3 GLY 9 2HA GLY 9 -6.113 -11.197 -4.145
40 H GLU 10 H GLU 10 -4.301 -8.872 -3.159
41 HA GLU 10 HA GLU 10 -4.538 -8.868 -0.327
42 HB2 GLU 10 1HB GLU 10 -3.883 -6.535 -0.453
43 HB3 GLU 10 2HB GLU 10 -2.891 -7.491 -1.545
44 HG2 GLU 10 1HG GLU 10 -5.333 -6.059 -2.515
45 HG3 GLU 10 2HG GLU 10 -3.781 -5.237 -2.364
46 H ARG 11 H ARG 11 -6.100 -8.083 0.992
47 HA ARG 11 HA ARG 11 -8.488 -6.919 -0.280
48 HB2 ARG 11 1HB ARG 11 -8.306 -9.070 1.818
49 HB3 ARG 11 2HB ARG 11 -9.759 -8.099 1.618
50 HG2 ARG 11 1HG ARG 11 -8.571 -9.515 -0.728
51 HG3 ARG 11 2HG ARG 11 -9.573 -10.390 0.431
52 HD2 ARG 11 1HD ARG 11 -11.464 -9.129 -0.064
53 HD3 ARG 11 2HD ARG 11 -10.521 -7.817 -0.768
54 HE ARG 11 HE ARG 11 -11.379 -10.250 -2.078
55 HH11 ARG 11 1HH1 ARG 11 -9.255 -7.493 -2.147
56 HH12 ARG 11 2HH1 ARG 11 -8.989 -7.576 -3.857
57 HH21 ARG 11 1HH2 ARG 11 -11.038 -10.370 -4.330
58 HH22 ARG 11 2HH2 ARG 11 -10.005 -9.212 -5.098
59 H HIS 12 H HIS 12 -6.898 -7.396 2.875
60 HA HIS 12 HA HIS 12 -8.120 -5.003 3.939
61 HB2 HIS 12 1HB HIS 12 -7.472 -7.235 5.177
62 HB3 HIS 12 2HB HIS 12 -5.903 -6.450 5.333
63 HD1 HIS 12 HD1 HIS 12 -9.545 -5.694 6.132
64 HD2 HIS 12 HD2 HIS 12 -5.716 -4.834 7.497
65 HE1 HIS 12 HE1 HIS 12 -9.866 -4.362 8.240
66 H TYR 13 H TYR 13 -7.170 -3.053 4.268
67 HA TYR 13 HA TYR 13 -4.857 -2.419 2.718
68 HB2 TYR 13 1HB TYR 13 -6.308 -0.702 4.742
69 HB3 TYR 13 2HB TYR 13 -5.191 -0.138 3.504
70 HD1 TYR 13 HD1 TYR 13 -5.846 -0.398 1.076
71 HD2 TYR 13 HD2 TYR 13 -8.596 -0.999 4.266
72 HE1 TYR 13 HE1 TYR 13 -7.718 -0.128 -0.496
73 HE2 TYR 13 HE2 TYR 13 -10.477 -0.732 2.703
74 HH TYR 13 HH TYR 13 -10.525 0.660 0.106
75 H GLU 14 H GLU 14 -3.271 -3.798 3.688
76 HA GLU 14 HA GLU 14 -2.424 -3.096 6.398
77 HB2 GLU 14 1HB GLU 14 -1.883 -5.385 4.553
78 HB3 GLU 14 2HB GLU 14 -0.713 -5.015 5.812
79 HG2 GLU 14 1HG GLU 14 -2.228 -5.476 7.524
80 HG3 GLU 14 2HG GLU 14 -3.618 -5.373 6.444
81 H CYS 15 H CYS 15 -0.303 -2.434 6.879
82 HA CYS 15 HA CYS 15 0.857 -0.708 4.904
83 HB2 CYS 15 1HB CYS 15 0.734 -0.276 7.416
84 HB3 CYS 15 2HB CYS 15 2.061 -1.422 7.576
85 H SER 16 H SER 16 2.244 -1.321 3.396
86 HA SER 16 HA SER 16 3.636 -3.856 3.628
87 HB2 SER 16 1HB SER 16 2.525 -3.168 1.501
88 HB3 SER 16 2HB SER 16 3.693 -1.855 1.357
89 HG SER 16 HG SER 16 4.018 -4.579 0.958
90 H GLU 17 H GLU 17 4.419 -1.729 5.420
91 HA GLU 17 HA GLU 17 7.203 -1.353 4.528
92 HB2 GLU 17 1HB GLU 17 5.504 0.507 6.199
93 HB3 GLU 17 2HB GLU 17 7.231 0.709 5.937
94 HG2 GLU 17 1HG GLU 17 6.576 0.646 3.419
95 HG3 GLU 17 2HG GLU 17 4.973 1.058 4.024
96 H CYS 18 H CYS 18 5.129 -1.510 7.420
97 HA CYS 18 HA CYS 18 7.386 -2.715 8.876
98 HB2 CYS 18 1HB CYS 18 6.065 -2.071 10.933
99 HB3 CYS 18 2HB CYS 18 6.683 -0.723 9.983
100 H GLY 19 H GLY 19 3.840 -2.913 8.559
101 HA2 GLY 19 1HA GLY 19 3.131 -5.287 7.973
102 HA3 GLY 19 2HA GLY 19 4.017 -5.728 9.425
103 H LYS 20 H LYS 20 1.876 -2.959 8.865
104 HA LYS 20 HA LYS 20 0.268 -3.856 11.153
105 HB2 LYS 20 1HB LYS 20 1.436 -1.491 10.904
106 HB3 LYS 20 2HB LYS 20 -0.014 -1.127 9.977
107 HG2 LYS 20 1HG LYS 20 -1.398 -1.325 11.808
108 HG3 LYS 20 2HG LYS 20 -0.263 -2.354 12.686
109 HD2 LYS 20 1HD LYS 20 1.251 -0.390 12.903
110 HD3 LYS 20 2HD LYS 20 -0.005 0.607 12.164
111 HE2 LYS 20 1HE LYS 20 -1.450 0.335 13.984
112 HE3 LYS 20 2HE LYS 20 -0.564 -1.061 14.594
113 HZ1 LYS 20 3HZ LYS 20 0.340 0.422 15.980
114 HZ2 LYS 20 1HZ LYS 20 -0.091 1.752 15.027
115 HZ3 LYS 20 2HZ LYS 20 1.304 0.869 14.664
116 H ALA 21 H ALA 21 -2.094 -3.193 11.024
117 HA ALA 21 HA ALA 21 -3.133 -3.549 8.292
118 HB1 ALA 21 3HB ALA 21 -3.945 -5.016 10.786
119 HB2 ALA 21 1HB ALA 21 -4.983 -4.919 9.362
120 HB3 ALA 21 2HB ALA 21 -3.396 -5.683 9.249
121 H PHE 22 H PHE 22 -5.203 -2.650 7.887
122 HA PHE 22 HA PHE 22 -6.384 -0.965 9.947
123 HB2 PHE 22 1HB PHE 22 -5.584 0.204 7.277
124 HB3 PHE 22 2HB PHE 22 -6.307 1.055 8.638
125 HD1 PHE 22 HD2 PHE 22 -3.264 -0.762 7.561
126 HD2 PHE 22 HD1 PHE 22 -4.974 2.016 10.295
127 HE1 PHE 22 HE2 PHE 22 -1.018 -0.217 8.406
128 HE2 PHE 22 HE1 PHE 22 -2.731 2.566 11.144
129 HZ PHE 22 HZ PHE 22 -0.750 1.448 10.200
130 H ILE 23 H ILE 23 -8.541 -0.396 9.546
131 HA ILE 23 HA ILE 23 -9.945 -2.229 7.839
132 HB ILE 23 HB ILE 23 -10.796 -1.518 10.075
133 HG12 ILE 23 1HG1 ILE 23 -12.192 -2.319 7.978
134 HG13 ILE 23 2HG1 ILE 23 -12.998 -1.797 9.453
135 HG21 ILE 23 1HG2 ILE 23 -10.173 0.864 9.859
136 HG22 ILE 23 2HG2 ILE 23 -11.464 1.066 8.676
137 HG23 ILE 23 3HG2 ILE 23 -11.854 0.634 10.340
138 HD11 ILE 23 3HD1 ILE 23 -13.640 0.234 8.524
139 HD12 ILE 23 1HD1 ILE 23 -12.456 0.120 7.222
140 HD13 ILE 23 2HD1 ILE 23 -13.876 -0.928 7.219
141 H GLN 24 H GLN 24 -9.523 1.298 7.942
142 HA GLN 24 HA GLN 24 -10.714 1.480 5.267
143 HB2 GLN 24 1HB GLN 24 -10.347 3.423 7.510
144 HB3 GLN 24 2HB GLN 24 -10.484 4.030 5.865
145 HG2 GLN 24 1HG GLN 24 -12.631 2.791 5.658
146 HG3 GLN 24 2HG GLN 24 -12.503 2.386 7.369
147 HE21 GLN 24 1HE2 GLN 24 -14.563 3.498 7.515
148 HE22 GLN 24 2HE2 GLN 24 -14.583 5.218 7.675
149 H LYS 25 H LYS 25 -9.658 2.588 3.587
150 HA LYS 25 HA LYS 25 -6.899 2.115 3.370
151 HB2 LYS 25 1HB LYS 25 -8.321 2.239 1.406
152 HB3 LYS 25 2HB LYS 25 -8.702 3.921 1.749
153 HG2 LYS 25 1HG LYS 25 -7.118 4.042 0.058
154 HG3 LYS 25 2HG LYS 25 -6.182 4.334 1.526
155 HD2 LYS 25 1HD LYS 25 -5.249 2.182 1.492
156 HD3 LYS 25 2HD LYS 25 -6.460 1.582 0.356
157 HE2 LYS 25 1HE LYS 25 -4.537 1.844 -0.944
158 HE3 LYS 25 2HE LYS 25 -5.489 3.287 -1.288
159 HZ1 LYS 25 3HZ LYS 25 -3.926 4.597 -0.426
160 HZ2 LYS 25 1HZ LYS 25 -2.894 3.259 -0.506
161 HZ3 LYS 25 2HZ LYS 25 -3.704 3.617 0.935
162 H SER 26 H SER 26 -8.697 5.131 3.918
163 HA SER 26 HA SER 26 -6.506 6.865 3.964
164 HB2 SER 26 1HB SER 26 -9.262 6.973 5.148
165 HB3 SER 26 2HB SER 26 -8.091 8.236 5.527
166 HG SER 26 HG SER 26 -8.408 7.538 2.848
167 H THR 27 H THR 27 -8.103 5.132 6.620
168 HA THR 27 HA THR 27 -6.766 6.104 8.794
169 HB THR 27 HB THR 27 -7.458 3.200 8.306
170 HG1 THR 27 HG1 THR 27 -8.933 5.459 9.054
171 HG21 THR 27 3HG2 THR 27 -5.905 4.092 10.313
172 HG22 THR 27 1HG2 THR 27 -7.031 2.746 10.487
173 HG23 THR 27 2HG2 THR 27 -7.496 4.360 11.025
174 H LEU 28 H LEU 28 -5.600 3.736 6.453
175 HA LEU 28 HA LEU 28 -3.213 3.083 7.844
176 HB2 LEU 28 1HB LEU 28 -3.735 1.486 6.294
177 HB3 LEU 28 2HB LEU 28 -4.279 2.666 5.103
178 HG LEU 28 HG LEU 28 -1.859 3.254 4.736
179 HD11 LEU 28 1HD1 LEU 28 -1.083 0.640 5.886
180 HD12 LEU 28 2HD1 LEU 28 -1.343 1.970 7.013
181 HD13 LEU 28 3HD1 LEU 28 -0.155 2.130 5.720
182 HD21 LEU 28 3HD2 LEU 28 -1.609 0.628 3.844
183 HD22 LEU 28 1HD2 LEU 28 -2.285 1.994 2.956
184 HD23 LEU 28 2HD2 LEU 28 -3.346 0.932 3.882
185 H SER 29 H SER 29 -3.940 5.346 5.209
186 HA SER 29 HA SER 29 -1.398 6.244 4.628
187 HB2 SER 29 1HB SER 29 -3.259 6.964 3.286
188 HB3 SER 29 2HB SER 29 -4.014 7.762 4.665
189 HG SER 29 HG SER 29 -2.724 9.068 3.070
190 H MET 30 H MET 30 -3.572 7.309 7.210
191 HA MET 30 HA MET 30 -2.061 9.451 8.168
192 HB2 MET 30 1HB MET 30 -3.737 7.580 9.846
193 HB3 MET 30 2HB MET 30 -3.325 9.250 10.212
194 HG2 MET 30 1HG MET 30 -4.542 9.686 7.914
195 HG3 MET 30 2HG MET 30 -5.323 8.157 8.312
196 HE1 MET 30 3HE MET 30 -7.987 8.670 9.907
197 HE2 MET 30 1HE MET 30 -8.166 10.195 9.039
198 HE3 MET 30 2HE MET 30 -7.380 8.823 8.257
199 H HIS 31 H HIS 31 -1.667 6.016 8.581
200 HA HIS 31 HA HIS 31 0.297 6.328 10.698
201 HB2 HIS 31 1HB HIS 31 -0.845 4.377 11.099
202 HB3 HIS 31 2HB HIS 31 -1.083 4.037 9.387
203 HD1 HIS 31 HD1 HIS 31 1.133 3.302 12.237
204 HD2 HIS 31 HD2 HIS 31 1.176 2.811 8.112
205 HE1 HIS 31 HE1 HIS 31 2.974 1.652 11.775
206 H GLN 32 H GLN 32 0.220 5.179 7.334
207 HA GLN 32 HA GLN 32 2.758 4.404 6.874
208 HB2 GLN 32 1HB GLN 32 1.013 6.154 5.145
209 HB3 GLN 32 2HB GLN 32 2.541 5.486 4.586
210 HG2 GLN 32 1HG GLN 32 1.490 3.221 5.354
211 HG3 GLN 32 2HG GLN 32 -0.026 4.105 5.189
212 HE21 GLN 32 1HE2 GLN 32 2.811 2.947 3.509
213 HE22 GLN 32 2HE2 GLN 32 2.143 3.032 1.918
214 H ARG 33 H ARG 33 1.742 7.607 7.692
215 HA ARG 33 HA ARG 33 3.823 9.164 6.743
216 HB2 ARG 33 1HB ARG 33 3.208 10.783 8.351
217 HB3 ARG 33 2HB ARG 33 1.727 9.915 7.970
218 HG2 ARG 33 1HG ARG 33 1.919 8.626 10.009
219 HG3 ARG 33 2HG ARG 33 3.460 9.403 10.378
220 HD2 ARG 33 1HD ARG 33 0.893 10.932 10.022
221 HD3 ARG 33 2HD ARG 33 1.431 10.313 11.583
222 HE ARG 33 HE ARG 33 3.357 11.953 10.184
223 HH11 ARG 33 1HH1 ARG 33 0.751 11.852 12.490
224 HH12 ARG 33 2HH1 ARG 33 1.206 13.334 13.265
225 HH21 ARG 33 1HH2 ARG 33 3.966 13.904 11.195
226 HH22 ARG 33 2HH2 ARG 33 3.034 14.501 12.527
227 H ILE 34 H ILE 34 3.648 7.308 9.763
228 HA ILE 34 HA ILE 34 5.951 8.047 11.019
229 HB ILE 34 HB ILE 34 6.043 5.876 12.053
230 HG12 ILE 34 1HG1 ILE 34 3.926 4.761 10.269
231 HG13 ILE 34 2HG1 ILE 34 5.584 4.781 9.677
232 HG21 ILE 34 1HG2 ILE 34 3.164 5.857 11.854
233 HG22 ILE 34 2HG2 ILE 34 4.195 6.303 13.213
234 HG23 ILE 34 3HG2 ILE 34 3.786 7.502 11.986
235 HD11 ILE 34 3HD1 ILE 34 4.588 3.450 12.184
236 HD12 ILE 34 1HD1 ILE 34 5.096 2.657 10.693
237 HD13 ILE 34 2HD1 ILE 34 6.276 3.524 11.677
238 H HIS 35 H HIS 35 5.668 6.367 8.026
239 HA HIS 35 HA HIS 35 8.446 5.488 8.057
240 HB2 HIS 35 1HB HIS 35 6.273 5.175 5.976
241 HB3 HIS 35 2HB HIS 35 7.901 4.519 5.828
242 HD1 HIS 35 HD1 HIS 35 8.550 2.760 7.827
243 HD2 HIS 35 HD2 HIS 35 4.513 3.497 7.173
244 HE1 HIS 35 HE1 HIS 35 7.332 0.848 8.916
245 H ARG 36 H ARG 36 6.376 7.856 6.479
246 HA ARG 36 HA ARG 36 8.508 8.806 4.771
247 HB2 ARG 36 1HB ARG 36 5.692 9.784 5.253
248 HB3 ARG 36 2HB ARG 36 6.811 10.556 4.137
249 HG2 ARG 36 1HG ARG 36 6.820 8.709 2.694
250 HG3 ARG 36 2HG ARG 36 6.096 7.652 3.908
251 HD2 ARG 36 1HD ARG 36 4.399 8.192 2.326
252 HD3 ARG 36 2HD ARG 36 4.047 9.086 3.805
253 HE ARG 36 HE ARG 36 5.427 10.895 2.413
254 HH11 ARG 36 1HH1 ARG 36 2.811 8.797 1.477
255 HH12 ARG 36 2HH1 ARG 36 2.184 9.893 0.290
256 HH21 ARG 36 1HH2 ARG 36 4.612 12.346 0.853
257 HH22 ARG 36 2HH2 ARG 36 3.210 11.910 -0.065
258 H GLY 37 H GLY 37 10.039 9.378 6.420
259 HA2 GLY 37 1HA GLY 37 9.366 11.927 7.757
260 HA3 GLY 37 2HA GLY 37 10.379 10.702 8.505
261 H GLU 38 H GLU 38 11.960 12.413 8.735
262 HA GLU 38 HA GLU 38 13.095 13.780 6.559
263 HB2 GLU 38 1HB GLU 38 13.411 14.462 8.902
264 HB3 GLU 38 2HB GLU 38 14.376 13.021 9.190
265 HG2 GLU 38 1HG GLU 38 16.090 13.791 7.715
266 HG3 GLU 38 2HG GLU 38 15.096 15.149 7.191
267 H LYS 39 H LYS 39 13.305 12.152 4.932
268 HA LYS 39 HA LYS 39 15.847 10.716 5.136
269 HB2 LYS 39 1HB LYS 39 13.241 9.464 4.251
270 HB3 LYS 39 2HB LYS 39 14.822 8.719 4.052
271 HG2 LYS 39 1HG LYS 39 13.825 9.555 6.750
272 HG3 LYS 39 2HG LYS 39 13.383 8.000 6.041
273 HD2 LYS 39 1HD LYS 39 15.746 7.418 5.833
274 HD3 LYS 39 2HD LYS 39 16.199 8.981 6.516
275 HE2 LYS 39 1HE LYS 39 16.337 7.554 8.341
276 HE3 LYS 39 2HE LYS 39 14.736 8.270 8.520
277 HZ1 LYS 39 3HZ LYS 39 14.192 6.116 7.032
278 HZ2 LYS 39 1HZ LYS 39 14.103 6.143 8.721
279 HZ3 LYS 39 2HZ LYS 39 15.482 5.531 7.957
280 HA PRO 40 HA PRO 40 16.506 12.297 1.089
281 HB2 PRO 40 1HB PRO 40 18.253 10.451 0.132
282 HB3 PRO 40 2HB PRO 40 18.698 11.658 1.344
283 HG2 PRO 40 1HG PRO 40 17.955 8.783 1.719
284 HG3 PRO 40 2HG PRO 40 19.255 9.711 2.487
285 HD2 PRO 40 1HD PRO 40 16.908 9.189 3.731
286 HD3 PRO 40 2HD PRO 40 17.831 10.677 4.020
287 H SER 41 H SER 41 15.171 12.220 -0.595
288 HA SER 41 HA SER 41 14.584 9.655 -1.862
289 HB2 SER 41 1HB SER 41 12.682 9.798 -0.464
290 HB3 SER 41 2HB SER 41 12.517 11.534 -0.727
291 HG SER 41 HG SER 41 12.104 9.497 -2.663
292 H GLY 42 H GLY 42 14.130 9.788 -4.052
293 HA2 GLY 42 1HA GLY 42 14.997 12.244 -5.321
294 HA3 GLY 42 2HA GLY 42 14.652 10.719 -6.122
295 HA PRO 43 HA PRO 43 11.082 13.920 -6.371
296 HB2 PRO 43 1HB PRO 43 11.670 15.117 -8.736
297 HB3 PRO 43 2HB PRO 43 12.223 15.744 -7.178
298 HG2 PRO 43 1HG PRO 43 13.703 14.093 -9.189
299 HG3 PRO 43 2HG PRO 43 14.264 15.497 -8.264
300 HD2 PRO 43 1HD PRO 43 14.881 12.954 -7.568
301 HD3 PRO 43 2HD PRO 43 14.669 14.247 -6.370
302 H SER 44 H SER 44 12.433 11.352 -8.004
303 HA SER 44 HA SER 44 10.789 11.177 -10.301
304 HB2 SER 44 1HB SER 44 11.489 8.804 -10.358
305 HB3 SER 44 2HB SER 44 12.857 9.889 -10.111
306 HG SER 44 HG SER 44 13.127 8.349 -8.600
307 H SER 45 H SER 45 8.648 11.520 -9.798
308 HA SER 45 HA SER 45 7.386 9.576 -7.983
309 HB2 SER 45 1HB SER 45 7.124 12.031 -7.461
310 HB3 SER 45 2HB SER 45 6.207 12.185 -8.959
311 HG SER 45 HG SER 45 5.275 11.500 -6.625
312 H GLY 46 H GLY 46 6.561 11.420 -10.931
313 HA2 GLY 46 1HA GLY 46 6.086 10.102 -12.967
314 HA3 GLY 46 2HA GLY 46 5.219 8.982 -11.927
Start of MODEL 6
1 H1 GLY 1 H GLY 1 8.524 -13.515 -12.086
2 HA2 GLY 1 1HA GLY 1 6.657 -15.557 -12.853
3 HA3 GLY 1 2HA GLY 1 7.447 -15.399 -11.291
4 H SER 2 H SER 2 4.544 -15.706 -12.459
5 HA SER 2 HA SER 2 2.838 -13.727 -11.941
6 HB2 SER 2 1HB SER 2 2.582 -16.554 -10.889
7 HB3 SER 2 2HB SER 2 1.252 -15.399 -10.970
8 HG SER 2 HG SER 2 2.683 -15.758 -13.312
9 H SER 3 H SER 3 1.879 -12.681 -10.213
10 HA SER 3 HA SER 3 3.110 -13.129 -7.576
11 HB2 SER 3 1HB SER 3 3.970 -11.072 -8.803
12 HB3 SER 3 2HB SER 3 2.348 -10.404 -8.632
13 HG SER 3 HG SER 3 2.578 -10.444 -6.421
14 H GLY 4 H GLY 4 1.789 -12.907 -5.791
15 HA2 GLY 4 1HA GLY 4 -0.323 -11.965 -4.890
16 HA3 GLY 4 2HA GLY 4 -1.078 -12.498 -6.385
17 H SER 5 H SER 5 -0.580 -13.247 -3.192
18 HA SER 5 HA SER 5 -1.363 -16.042 -3.668
19 HB2 SER 5 1HB SER 5 0.575 -15.095 -1.542
20 HB3 SER 5 2HB SER 5 0.002 -16.750 -1.749
21 HG SER 5 HG SER 5 1.878 -15.324 -3.199
22 H SER 6 H SER 6 -3.161 -13.980 -3.251
23 HA SER 6 HA SER 6 -3.871 -13.775 -0.481
24 HB2 SER 6 1HB SER 6 -4.380 -12.044 -2.265
25 HB3 SER 6 2HB SER 6 -5.633 -13.137 -2.853
26 HG SER 6 HG SER 6 -5.479 -12.153 -0.195
27 H GLY 7 H GLY 7 -4.803 -15.332 0.657
28 HA2 GLY 7 1HA GLY 7 -6.197 -17.495 -0.720
29 HA3 GLY 7 2HA GLY 7 -5.715 -17.477 0.970
30 H THR 8 H THR 8 -7.029 -16.413 2.497
31 HA THR 8 HA THR 8 -9.789 -15.977 1.563
32 HB THR 8 HB THR 8 -8.836 -16.841 4.301
33 HG1 THR 8 HG1 THR 8 -10.271 -18.254 2.279
34 HG21 THR 8 3HG2 THR 8 -11.682 -17.056 3.569
35 HG22 THR 8 1HG2 THR 8 -11.084 -15.413 3.800
36 HG23 THR 8 2HG2 THR 8 -10.936 -16.597 5.100
37 H GLY 9 H GLY 9 -7.428 -14.883 3.999
38 HA2 GLY 9 1HA GLY 9 -8.973 -12.467 4.481
39 HA3 GLY 9 2HA GLY 9 -7.494 -12.942 5.302
40 H GLU 10 H GLU 10 -6.320 -11.102 5.070
41 HA GLU 10 HA GLU 10 -5.021 -9.517 4.081
42 HB2 GLU 10 1HB GLU 10 -4.184 -11.705 2.987
43 HB3 GLU 10 2HB GLU 10 -5.060 -11.158 1.564
44 HG2 GLU 10 1HG GLU 10 -3.735 -9.055 1.635
45 HG3 GLU 10 2HG GLU 10 -2.783 -9.758 2.941
46 H ARG 11 H ARG 11 -7.676 -8.908 4.062
47 HA ARG 11 HA ARG 11 -8.182 -7.811 1.380
48 HB2 ARG 11 1HB ARG 11 -9.945 -9.278 2.309
49 HB3 ARG 11 2HB ARG 11 -10.113 -8.185 3.676
50 HG2 ARG 11 1HG ARG 11 -10.927 -6.436 2.267
51 HG3 ARG 11 2HG ARG 11 -10.566 -7.372 0.815
52 HD2 ARG 11 1HD ARG 11 -12.255 -8.978 1.348
53 HD3 ARG 11 2HD ARG 11 -12.506 -8.262 2.940
54 HE ARG 11 HE ARG 11 -12.989 -6.346 0.919
55 HH11 ARG 11 1HH1 ARG 11 -14.372 -9.191 2.373
56 HH12 ARG 11 2HH1 ARG 11 -16.005 -8.744 2.006
57 HH21 ARG 11 1HH2 ARG 11 -15.134 -5.747 0.430
58 HH22 ARG 11 2HH2 ARG 11 -16.437 -6.785 0.900
59 H HIS 12 H HIS 12 -7.986 -7.001 4.802
60 HA HIS 12 HA HIS 12 -8.639 -4.239 4.439
61 HB2 HIS 12 1HB HIS 12 -7.512 -4.157 6.820
62 HB3 HIS 12 2HB HIS 12 -9.094 -4.898 6.601
63 HD1 HIS 12 HD1 HIS 12 -9.237 -6.943 7.964
64 HD2 HIS 12 HD2 HIS 12 -5.448 -6.451 6.332
65 HE1 HIS 12 HE1 HIS 12 -7.918 -8.950 8.710
66 H TYR 13 H TYR 13 -7.358 -2.634 3.805
67 HA TYR 13 HA TYR 13 -4.967 -2.791 2.617
68 HB2 TYR 13 1HB TYR 13 -5.573 -0.508 4.497
69 HB3 TYR 13 2HB TYR 13 -4.628 -0.460 3.013
70 HD1 TYR 13 HD2 TYR 13 -8.050 -0.807 4.368
71 HD2 TYR 13 HD1 TYR 13 -5.672 -0.143 0.903
72 HE1 TYR 13 HE2 TYR 13 -10.067 -0.175 3.112
73 HE2 TYR 13 HE1 TYR 13 -7.683 0.492 -0.363
74 HH TYR 13 HH TYR 13 -10.300 1.487 0.722
75 H GLU 14 H GLU 14 -3.030 -3.530 3.145
76 HA GLU 14 HA GLU 14 -2.255 -3.559 5.982
77 HB2 GLU 14 1HB GLU 14 -1.357 -5.270 3.662
78 HB3 GLU 14 2HB GLU 14 -0.602 -5.312 5.249
79 HG2 GLU 14 1HG GLU 14 -2.045 -7.038 5.491
80 HG3 GLU 14 2HG GLU 14 -3.093 -5.725 6.026
81 H CYS 15 H CYS 15 -0.152 -2.944 6.593
82 HA CYS 15 HA CYS 15 0.980 -0.873 4.905
83 HB2 CYS 15 1HB CYS 15 0.647 -0.463 7.315
84 HB3 CYS 15 2HB CYS 15 1.764 -1.773 7.686
85 H SER 16 H SER 16 2.736 -1.084 3.680
86 HA SER 16 HA SER 16 4.165 -3.623 3.717
87 HB2 SER 16 1HB SER 16 3.980 -1.346 1.764
88 HB3 SER 16 2HB SER 16 5.279 -2.532 1.634
89 HG SER 16 HG SER 16 3.896 -3.832 0.758
90 H GLU 17 H GLU 17 4.513 -1.474 5.777
91 HA GLU 17 HA GLU 17 7.397 -0.998 5.406
92 HB2 GLU 17 1HB GLU 17 5.497 0.564 7.161
93 HB3 GLU 17 2HB GLU 17 7.189 0.932 6.858
94 HG2 GLU 17 1HG GLU 17 5.264 0.799 4.583
95 HG3 GLU 17 2HG GLU 17 5.332 2.234 5.604
96 H CYS 18 H CYS 18 4.907 -1.709 7.839
97 HA CYS 18 HA CYS 18 6.972 -3.109 9.407
98 HB2 CYS 18 1HB CYS 18 5.689 -2.503 11.443
99 HB3 CYS 18 2HB CYS 18 6.323 -1.097 10.595
100 H GLY 19 H GLY 19 3.610 -3.002 8.367
101 HA2 GLY 19 1HA GLY 19 2.724 -5.210 7.649
102 HA3 GLY 19 2HA GLY 19 3.365 -5.839 9.160
103 H LYS 20 H LYS 20 2.052 -2.719 9.427
104 HA LYS 20 HA LYS 20 -0.041 -3.643 11.143
105 HB2 LYS 20 1HB LYS 20 1.311 -1.450 11.297
106 HB3 LYS 20 2HB LYS 20 0.197 -0.838 10.081
107 HG2 LYS 20 1HG LYS 20 -1.646 -1.019 11.525
108 HG3 LYS 20 2HG LYS 20 -0.759 -2.038 12.660
109 HD2 LYS 20 1HD LYS 20 0.751 -0.105 13.108
110 HD3 LYS 20 2HD LYS 20 -0.301 0.890 12.097
111 HE2 LYS 20 1HE LYS 20 -1.102 1.320 14.225
112 HE3 LYS 20 2HE LYS 20 -2.185 0.046 13.664
113 HZ1 LYS 20 3HZ LYS 20 -1.241 -1.494 15.050
114 HZ2 LYS 20 1HZ LYS 20 -1.093 -0.102 16.000
115 HZ3 LYS 20 2HZ LYS 20 0.243 -0.688 15.145
116 H ALA 21 H ALA 21 -2.199 -3.794 10.781
117 HA ALA 21 HA ALA 21 -3.104 -3.331 8.016
118 HB1 ALA 21 3HB ALA 21 -3.979 -5.369 8.031
119 HB2 ALA 21 1HB ALA 21 -3.246 -5.635 9.613
120 HB3 ALA 21 2HB ALA 21 -4.892 -5.011 9.496
121 H PHE 22 H PHE 22 -4.990 -2.226 7.632
122 HA PHE 22 HA PHE 22 -6.448 -1.171 9.952
123 HB2 PHE 22 1HB PHE 22 -5.839 0.602 7.603
124 HB3 PHE 22 2HB PHE 22 -6.335 1.056 9.230
125 HD1 PHE 22 HD2 PHE 22 -3.530 -0.743 7.548
126 HD2 PHE 22 HD1 PHE 22 -4.741 1.977 10.589
127 HE1 PHE 22 HE2 PHE 22 -1.174 -0.384 8.159
128 HE2 PHE 22 HE1 PHE 22 -2.386 2.342 11.205
129 HZ PHE 22 HZ PHE 22 -0.600 1.160 9.991
130 H ILE 23 H ILE 23 -8.584 -1.348 9.751
131 HA ILE 23 HA ILE 23 -9.832 -2.689 7.678
132 HB ILE 23 HB ILE 23 -10.984 -2.555 9.739
133 HG12 ILE 23 1HG1 ILE 23 -12.600 -0.691 8.016
134 HG13 ILE 23 2HG1 ILE 23 -12.317 -2.360 7.534
135 HG21 ILE 23 1HG2 ILE 23 -10.320 -0.682 10.867
136 HG22 ILE 23 2HG2 ILE 23 -10.514 0.367 9.463
137 HG23 ILE 23 3HG2 ILE 23 -11.932 -0.174 10.362
138 HD11 ILE 23 3HD1 ILE 23 -14.221 -1.296 9.388
139 HD12 ILE 23 1HD1 ILE 23 -14.081 -2.928 8.735
140 HD13 ILE 23 2HD1 ILE 23 -13.185 -2.478 10.186
141 H GLN 24 H GLN 24 -9.259 0.752 8.085
142 HA GLN 24 HA GLN 24 -10.615 1.272 5.530
143 HB2 GLN 24 1HB GLN 24 -9.731 3.245 7.642
144 HB3 GLN 24 2HB GLN 24 -10.656 3.619 6.195
145 HG2 GLN 24 1HG GLN 24 -11.731 1.620 8.120
146 HG3 GLN 24 2HG GLN 24 -11.833 3.336 8.511
147 HE21 GLN 24 1HE2 GLN 24 -13.509 0.872 7.246
148 HE22 GLN 24 2HE2 GLN 24 -14.567 1.727 6.182
149 H LYS 25 H LYS 25 -9.581 2.924 4.120
150 HA LYS 25 HA LYS 25 -6.772 2.271 3.792
151 HB2 LYS 25 1HB LYS 25 -8.678 2.490 1.963
152 HB3 LYS 25 2HB LYS 25 -8.194 4.181 1.991
153 HG2 LYS 25 1HG LYS 25 -6.080 2.108 1.723
154 HG3 LYS 25 2HG LYS 25 -7.100 2.467 0.328
155 HD2 LYS 25 1HD LYS 25 -6.502 4.836 0.505
156 HD3 LYS 25 2HD LYS 25 -5.480 4.473 1.898
157 HE2 LYS 25 1HE LYS 25 -5.086 3.173 -0.785
158 HE3 LYS 25 2HE LYS 25 -4.319 4.700 -0.353
159 HZ1 LYS 25 3HZ LYS 25 -2.962 2.640 0.031
160 HZ2 LYS 25 1HZ LYS 25 -4.031 2.247 1.283
161 HZ3 LYS 25 2HZ LYS 25 -3.115 3.666 1.367
162 H SER 26 H SER 26 -8.756 4.955 4.779
163 HA SER 26 HA SER 26 -6.788 6.985 4.497
164 HB2 SER 26 1HB SER 26 -9.323 6.807 6.129
165 HB3 SER 26 2HB SER 26 -8.298 8.241 6.118
166 HG SER 26 HG SER 26 -8.563 8.128 3.745
167 H THR 27 H THR 27 -7.825 4.956 7.209
168 HA THR 27 HA THR 27 -6.283 6.103 9.223
169 HB THR 27 HB THR 27 -6.927 3.161 8.949
170 HG1 THR 27 HG1 THR 27 -8.683 4.097 10.500
171 HG21 THR 27 3HG2 THR 27 -5.276 4.155 10.749
172 HG22 THR 27 1HG2 THR 27 -6.463 2.927 11.187
173 HG23 THR 27 2HG2 THR 27 -6.779 4.625 11.542
174 H LEU 28 H LEU 28 -5.380 3.947 6.637
175 HA LEU 28 HA LEU 28 -2.818 3.275 7.766
176 HB2 LEU 28 1HB LEU 28 -3.563 1.598 6.387
177 HB3 LEU 28 2HB LEU 28 -4.250 2.721 5.216
178 HG LEU 28 HG LEU 28 -1.906 3.272 4.509
179 HD11 LEU 28 1HD1 LEU 28 -1.163 0.795 6.046
180 HD12 LEU 28 2HD1 LEU 28 -0.874 2.430 6.637
181 HD13 LEU 28 3HD1 LEU 28 -0.097 1.879 5.153
182 HD21 LEU 28 3HD2 LEU 28 -3.354 0.751 4.092
183 HD22 LEU 28 1HD2 LEU 28 -1.651 0.718 3.632
184 HD23 LEU 28 2HD2 LEU 28 -2.733 1.915 2.920
185 H SER 29 H SER 29 -4.001 5.406 5.191
186 HA SER 29 HA SER 29 -1.552 6.322 4.239
187 HB2 SER 29 1HB SER 29 -3.952 6.760 3.359
188 HB3 SER 29 2HB SER 29 -3.942 8.137 4.460
189 HG SER 29 HG SER 29 -3.060 8.201 2.082
190 H MET 30 H MET 30 -3.319 7.171 7.121
191 HA MET 30 HA MET 30 -1.779 9.529 7.687
192 HB2 MET 30 1HB MET 30 -2.941 9.504 9.851
193 HB3 MET 30 2HB MET 30 -4.067 9.324 8.512
194 HG2 MET 30 1HG MET 30 -4.527 7.127 9.013
195 HG3 MET 30 2HG MET 30 -3.008 6.897 9.876
196 HE1 MET 30 3HE MET 30 -3.918 6.470 13.009
197 HE2 MET 30 1HE MET 30 -5.427 5.897 12.297
198 HE3 MET 30 2HE MET 30 -3.902 5.654 11.445
199 H HIS 31 H HIS 31 -1.432 6.148 8.235
200 HA HIS 31 HA HIS 31 0.498 6.476 10.378
201 HB2 HIS 31 1HB HIS 31 -0.742 4.543 10.721
202 HB3 HIS 31 2HB HIS 31 -0.773 4.136 9.008
203 HD1 HIS 31 HD1 HIS 31 1.873 4.396 11.740
204 HD2 HIS 31 HD2 HIS 31 0.883 2.088 8.430
205 HE1 HIS 31 HE1 HIS 31 3.599 2.568 11.654
206 H GLN 32 H GLN 32 0.482 5.270 7.031
207 HA GLN 32 HA GLN 32 3.085 4.560 6.685
208 HB2 GLN 32 1HB GLN 32 1.454 6.164 4.709
209 HB3 GLN 32 2HB GLN 32 2.849 5.164 4.329
210 HG2 GLN 32 1HG GLN 32 1.364 3.306 5.493
211 HG3 GLN 32 2HG GLN 32 0.067 4.380 4.971
212 HE21 GLN 32 1HE2 GLN 32 -0.728 3.964 3.049
213 HE22 GLN 32 2HE2 GLN 32 0.100 3.193 1.743
214 H ARG 33 H ARG 33 1.879 7.715 7.318
215 HA ARG 33 HA ARG 33 4.011 9.238 6.249
216 HB2 ARG 33 1HB ARG 33 2.995 11.063 7.206
217 HB3 ARG 33 2HB ARG 33 1.639 9.944 7.155
218 HG2 ARG 33 1HG ARG 33 1.903 9.417 9.474
219 HG3 ARG 33 2HG ARG 33 3.401 10.345 9.560
220 HD2 ARG 33 1HD ARG 33 2.247 12.397 9.254
221 HD3 ARG 33 2HD ARG 33 0.756 11.568 8.810
222 HE ARG 33 HE ARG 33 0.307 11.219 11.044
223 HH11 ARG 33 1HH1 ARG 33 3.552 12.418 10.652
224 HH12 ARG 33 2HH1 ARG 33 3.785 12.717 12.342
225 HH21 ARG 33 1HH2 ARG 33 0.602 11.609 13.272
226 HH22 ARG 33 2HH2 ARG 33 2.107 12.255 13.832
227 H ILE 34 H ILE 34 3.434 7.792 9.422
228 HA ILE 34 HA ILE 34 5.669 8.919 10.723
229 HB ILE 34 HB ILE 34 5.284 7.412 12.485
230 HG12 ILE 34 1HG1 ILE 34 3.568 5.440 11.891
231 HG13 ILE 34 2HG1 ILE 34 4.328 5.619 10.313
232 HG21 ILE 34 1HG2 ILE 34 2.559 7.174 12.136
233 HG22 ILE 34 2HG2 ILE 34 3.404 8.563 12.817
234 HG23 ILE 34 3HG2 ILE 34 2.990 8.537 11.103
235 HD11 ILE 34 3HD1 ILE 34 5.291 3.918 11.980
236 HD12 ILE 34 1HD1 ILE 34 6.402 4.967 11.101
237 HD13 ILE 34 2HD1 ILE 34 5.990 5.327 12.778
238 H HIS 35 H HIS 35 5.415 6.470 8.366
239 HA HIS 35 HA HIS 35 7.862 5.110 9.094
240 HB2 HIS 35 1HB HIS 35 5.792 4.799 6.972
241 HB3 HIS 35 2HB HIS 35 7.395 4.141 6.660
242 HD1 HIS 35 HD1 HIS 35 8.267 2.515 8.749
243 HD2 HIS 35 HD2 HIS 35 4.178 3.056 8.253
244 HE1 HIS 35 HE1 HIS 35 7.183 0.603 9.971
245 H ARG 36 H ARG 36 6.780 7.427 6.657
246 HA ARG 36 HA ARG 36 9.360 7.530 5.376
247 HB2 ARG 36 1HB ARG 36 8.358 9.330 4.020
248 HB3 ARG 36 2HB ARG 36 7.358 7.883 4.044
249 HG2 ARG 36 1HG ARG 36 6.052 9.018 5.914
250 HG3 ARG 36 2HG ARG 36 6.898 10.493 5.444
251 HD2 ARG 36 1HD ARG 36 6.080 9.963 3.068
252 HD3 ARG 36 2HD ARG 36 4.966 8.842 3.850
253 HE ARG 36 HE ARG 36 3.730 10.630 4.578
254 HH11 ARG 36 1HH1 ARG 36 6.836 11.751 3.475
255 HH12 ARG 36 2HH1 ARG 36 6.411 13.428 3.575
256 HH21 ARG 36 1HH2 ARG 36 3.159 12.834 4.713
257 HH22 ARG 36 2HH2 ARG 36 4.320 14.043 4.279
258 H GLY 37 H GLY 37 7.485 9.576 7.575
259 HA2 GLY 37 1HA GLY 37 9.060 11.842 7.639
260 HA3 GLY 37 2HA GLY 37 8.160 11.231 9.019
261 H GLU 38 H GLU 38 10.436 12.555 9.536
262 HA GLU 38 HA GLU 38 12.814 11.087 9.570
263 HB2 GLU 38 1HB GLU 38 12.358 13.583 10.140
264 HB3 GLU 38 2HB GLU 38 12.093 12.992 11.774
265 HG2 GLU 38 1HG GLU 38 14.294 12.364 12.050
266 HG3 GLU 38 2HG GLU 38 14.588 12.253 10.316
267 H LYS 39 H LYS 39 13.913 10.412 11.687
268 HA LYS 39 HA LYS 39 12.044 9.053 13.493
269 HB2 LYS 39 1HB LYS 39 14.148 7.797 11.785
270 HB3 LYS 39 2HB LYS 39 13.847 7.123 13.381
271 HG2 LYS 39 1HG LYS 39 11.783 6.345 12.818
272 HG3 LYS 39 2HG LYS 39 11.510 7.610 11.618
273 HD2 LYS 39 1HD LYS 39 13.561 5.448 11.224
274 HD3 LYS 39 2HD LYS 39 11.873 5.236 10.753
275 HE2 LYS 39 1HE LYS 39 12.073 7.301 9.372
276 HE3 LYS 39 2HE LYS 39 13.795 7.332 9.751
277 HZ1 LYS 39 3HZ LYS 39 12.924 6.192 7.587
278 HZ2 LYS 39 1HZ LYS 39 12.650 4.881 8.620
279 HZ3 LYS 39 2HZ LYS 39 14.209 5.516 8.455
280 HA PRO 40 HA PRO 40 14.723 10.617 16.616
281 HB2 PRO 40 1HB PRO 40 14.077 8.917 18.632
282 HB3 PRO 40 2HB PRO 40 13.003 10.210 18.084
283 HG2 PRO 40 1HG PRO 40 12.948 7.292 17.416
284 HG3 PRO 40 2HG PRO 40 11.601 8.376 17.811
285 HD2 PRO 40 1HD PRO 40 12.209 7.674 15.267
286 HD3 PRO 40 2HD PRO 40 11.521 9.257 15.682
287 H SER 41 H SER 41 16.857 10.310 16.431
288 HA SER 41 HA SER 41 17.998 7.676 16.167
289 HB2 SER 41 1HB SER 41 19.042 10.476 16.064
290 HB3 SER 41 2HB SER 41 20.181 9.159 16.348
291 HG SER 41 HG SER 41 18.852 8.254 14.400
292 H GLY 42 H GLY 42 18.448 10.353 18.488
293 HA2 GLY 42 1HA GLY 42 18.529 8.491 20.694
294 HA3 GLY 42 2HA GLY 42 20.084 9.226 20.329
295 HA PRO 43 HA PRO 43 17.004 12.687 21.824
296 HB2 PRO 43 1HB PRO 43 14.956 11.768 23.351
297 HB3 PRO 43 2HB PRO 43 14.828 11.983 21.601
298 HG2 PRO 43 1HG PRO 43 15.338 9.485 23.171
299 HG3 PRO 43 2HG PRO 43 14.273 9.732 21.775
300 HD2 PRO 43 1HD PRO 43 16.726 8.607 21.555
301 HD3 PRO 43 2HD PRO 43 16.010 9.596 20.266
302 H SER 44 H SER 44 17.568 13.782 23.629
303 HA SER 44 HA SER 44 19.065 12.405 25.656
304 HB2 SER 44 1HB SER 44 18.375 15.292 25.154
305 HB3 SER 44 2HB SER 44 19.168 14.790 26.647
306 HG SER 44 HG SER 44 20.252 13.866 24.254
307 H SER 45 H SER 45 17.846 11.179 26.989
308 HA SER 45 HA SER 45 15.326 12.147 28.030
309 HB2 SER 45 1HB SER 45 15.487 9.791 27.493
310 HB3 SER 45 2HB SER 45 16.883 9.604 28.553
311 HG SER 45 HG SER 45 14.370 10.494 29.498
312 H GLY 46 H GLY 46 18.540 11.351 29.320
313 HA2 GLY 46 1HA GLY 46 19.483 11.784 31.383
314 HA3 GLY 46 2HA GLY 46 18.822 13.387 31.099
Start of MODEL 7
1 H1 GLY 1 H GLY 1 -13.425 -20.484 -15.962
2 HA2 GLY 1 1HA GLY 1 -12.831 -20.260 -18.242
3 HA3 GLY 1 2HA GLY 1 -14.387 -21.074 -18.308
4 H SER 2 H SER 2 -16.023 -18.905 -17.542
5 HA SER 2 HA SER 2 -15.882 -17.327 -20.007
6 HB2 SER 2 1HB SER 2 -17.970 -18.628 -19.409
7 HB3 SER 2 2HB SER 2 -18.199 -17.500 -18.073
8 HG SER 2 HG SER 2 -18.055 -15.826 -19.787
9 H SER 3 H SER 3 -14.344 -15.793 -19.399
10 HA SER 3 HA SER 3 -13.511 -13.906 -18.428
11 HB2 SER 3 1HB SER 3 -15.698 -13.131 -19.519
12 HB3 SER 3 2HB SER 3 -16.380 -13.143 -17.893
13 HG SER 3 HG SER 3 -15.035 -11.531 -17.302
14 H GLY 4 H GLY 4 -13.590 -16.083 -16.691
15 HA2 GLY 4 1HA GLY 4 -14.688 -15.196 -14.157
16 HA3 GLY 4 2HA GLY 4 -13.805 -16.687 -14.449
17 H SER 5 H SER 5 -12.992 -13.246 -14.892
18 HA SER 5 HA SER 5 -10.526 -13.745 -13.364
19 HB2 SER 5 1HB SER 5 -11.092 -11.549 -15.371
20 HB3 SER 5 2HB SER 5 -9.552 -11.851 -14.566
21 HG SER 5 HG SER 5 -10.714 -13.143 -16.704
22 H SER 6 H SER 6 -12.889 -13.303 -11.959
23 HA SER 6 HA SER 6 -13.483 -10.679 -11.273
24 HB2 SER 6 1HB SER 6 -13.573 -13.200 -9.606
25 HB3 SER 6 2HB SER 6 -14.234 -11.656 -9.068
26 HG SER 6 HG SER 6 -15.039 -13.212 -11.295
27 H GLY 7 H GLY 7 -11.928 -9.224 -10.846
28 HA2 GLY 7 1HA GLY 7 -10.051 -9.876 -8.659
29 HA3 GLY 7 2HA GLY 7 -9.534 -9.000 -10.092
30 H THR 8 H THR 8 -10.826 -8.754 -6.971
31 HA THR 8 HA THR 8 -10.974 -5.849 -7.249
32 HB THR 8 HB THR 8 -13.171 -7.412 -5.883
33 HG1 THR 8 HG1 THR 8 -13.499 -5.888 -8.241
34 HG21 THR 8 3HG2 THR 8 -12.411 -4.586 -5.992
35 HG22 THR 8 1HG2 THR 8 -13.448 -5.436 -4.847
36 HG23 THR 8 2HG2 THR 8 -14.102 -4.889 -6.390
37 H GLY 9 H GLY 9 -10.220 -4.759 -5.502
38 HA2 GLY 9 1HA GLY 9 -8.748 -6.178 -3.537
39 HA3 GLY 9 2HA GLY 9 -9.051 -4.447 -3.548
40 H GLU 10 H GLU 10 -9.723 -7.376 -2.025
41 HA GLU 10 HA GLU 10 -11.947 -6.142 -0.533
42 HB2 GLU 10 1HB GLU 10 -12.421 -8.668 0.024
43 HB3 GLU 10 2HB GLU 10 -13.000 -7.957 -1.476
44 HG2 GLU 10 1HG GLU 10 -11.117 -8.900 -2.679
45 HG3 GLU 10 2HG GLU 10 -10.476 -9.569 -1.179
46 H ARG 11 H ARG 11 -8.994 -8.033 -0.369
47 HA ARG 11 HA ARG 11 -9.000 -8.547 2.398
48 HB2 ARG 11 1HB ARG 11 -6.968 -8.558 0.231
49 HB3 ARG 11 2HB ARG 11 -6.371 -8.483 1.883
50 HG2 ARG 11 1HG ARG 11 -6.441 -10.770 1.174
51 HG3 ARG 11 2HG ARG 11 -7.679 -10.515 2.405
52 HD2 ARG 11 1HD ARG 11 -8.557 -11.868 0.592
53 HD3 ARG 11 2HD ARG 11 -9.372 -10.306 0.641
54 HE ARG 11 HE ARG 11 -8.496 -9.818 -1.421
55 HH11 ARG 11 1HH1 ARG 11 -6.830 -12.566 -0.081
56 HH12 ARG 11 2HH1 ARG 11 -5.970 -12.921 -1.542
57 HH21 ARG 11 1HH2 ARG 11 -7.369 -10.276 -3.350
58 HH22 ARG 11 2HH2 ARG 11 -6.276 -11.618 -3.401
59 H HIS 12 H HIS 12 -8.612 -7.290 4.103
60 HA HIS 12 HA HIS 12 -8.557 -4.560 4.074
61 HB2 HIS 12 1HB HIS 12 -7.772 -4.634 6.363
62 HB3 HIS 12 2HB HIS 12 -8.894 -5.965 6.097
63 HD1 HIS 12 HD1 HIS 12 -8.117 -8.009 7.224
64 HD2 HIS 12 HD2 HIS 12 -4.937 -5.736 5.815
65 HE1 HIS 12 HE1 HIS 12 -6.045 -9.287 7.856
66 H TYR 13 H TYR 13 -6.970 -2.956 4.241
67 HA TYR 13 HA TYR 13 -4.636 -3.407 2.686
68 HB2 TYR 13 1HB TYR 13 -5.349 -1.028 4.413
69 HB3 TYR 13 2HB TYR 13 -4.104 -1.063 3.169
70 HD1 TYR 13 HD2 TYR 13 -7.713 -0.990 3.814
71 HD2 TYR 13 HD1 TYR 13 -4.689 -0.992 0.820
72 HE1 TYR 13 HE2 TYR 13 -9.379 -0.305 2.139
73 HE2 TYR 13 HE1 TYR 13 -6.346 -0.306 -0.863
74 HH TYR 13 HH TYR 13 -8.585 -0.128 -1.277
75 H GLU 14 H GLU 14 -2.502 -3.545 3.272
76 HA GLU 14 HA GLU 14 -1.898 -3.660 6.147
77 HB2 GLU 14 1HB GLU 14 -1.495 -5.756 4.080
78 HB3 GLU 14 2HB GLU 14 -0.209 -5.539 5.258
79 HG2 GLU 14 1HG GLU 14 -2.991 -5.759 6.262
80 HG3 GLU 14 2HG GLU 14 -2.204 -7.216 5.657
81 H CYS 15 H CYS 15 -0.150 -2.537 6.725
82 HA CYS 15 HA CYS 15 1.272 -0.992 4.805
83 HB2 CYS 15 1HB CYS 15 0.761 -0.394 7.248
84 HB3 CYS 15 2HB CYS 15 2.130 -1.421 7.662
85 H SER 16 H SER 16 2.772 -1.790 3.499
86 HA SER 16 HA SER 16 4.134 -4.233 3.968
87 HB2 SER 16 1HB SER 16 4.674 -2.026 1.968
88 HB3 SER 16 2HB SER 16 5.459 -3.605 1.950
89 HG SER 16 HG SER 16 2.673 -3.550 2.028
90 H GLU 17 H GLU 17 4.724 -1.010 4.943
91 HA GLU 17 HA GLU 17 7.550 -1.116 5.178
92 HB2 GLU 17 1HB GLU 17 5.419 0.627 6.381
93 HB3 GLU 17 2HB GLU 17 7.095 0.774 6.891
94 HG2 GLU 17 1HG GLU 17 6.770 2.406 5.233
95 HG3 GLU 17 2HG GLU 17 7.683 1.108 4.465
96 H CYS 18 H CYS 18 5.068 -1.192 7.743
97 HA CYS 18 HA CYS 18 6.974 -2.628 9.450
98 HB2 CYS 18 1HB CYS 18 5.440 -2.018 11.303
99 HB3 CYS 18 2HB CYS 18 6.061 -0.613 10.443
100 H GLY 19 H GLY 19 3.619 -2.764 8.300
101 HA2 GLY 19 1HA GLY 19 2.895 -5.017 7.543
102 HA3 GLY 19 2HA GLY 19 3.599 -5.628 9.033
103 H LYS 20 H LYS 20 1.970 -2.612 9.220
104 HA LYS 20 HA LYS 20 0.070 -3.629 11.079
105 HB2 LYS 20 1HB LYS 20 0.377 -0.948 9.729
106 HB3 LYS 20 2HB LYS 20 -0.897 -1.286 10.893
107 HG2 LYS 20 1HG LYS 20 1.900 -1.878 11.688
108 HG3 LYS 20 2HG LYS 20 1.397 -0.188 11.602
109 HD2 LYS 20 1HD LYS 20 -0.068 -0.393 13.342
110 HD3 LYS 20 2HD LYS 20 -0.396 -2.095 13.008
111 HE2 LYS 20 1HE LYS 20 1.769 -2.713 13.918
112 HE3 LYS 20 2HE LYS 20 2.165 -1.015 14.184
113 HZ1 LYS 20 3HZ LYS 20 1.386 -1.466 16.230
114 HZ2 LYS 20 1HZ LYS 20 0.450 -2.780 15.722
115 HZ3 LYS 20 2HZ LYS 20 -0.126 -1.203 15.518
116 H ALA 21 H ALA 21 -2.318 -3.084 10.826
117 HA ALA 21 HA ALA 21 -3.288 -3.369 8.086
118 HB1 ALA 21 3HB ALA 21 -3.342 -5.484 10.102
119 HB2 ALA 21 1HB ALA 21 -4.911 -5.154 9.367
120 HB3 ALA 21 2HB ALA 21 -3.532 -5.578 8.352
121 H PHE 22 H PHE 22 -5.016 -2.129 7.740
122 HA PHE 22 HA PHE 22 -6.772 -1.451 9.986
123 HB2 PHE 22 1HB PHE 22 -6.030 0.715 8.061
124 HB3 PHE 22 2HB PHE 22 -6.595 0.843 9.724
125 HD1 PHE 22 HD2 PHE 22 -3.686 0.150 7.588
126 HD2 PHE 22 HD1 PHE 22 -5.076 0.818 11.555
127 HE1 PHE 22 HE2 PHE 22 -1.363 0.430 8.350
128 HE2 PHE 22 HE1 PHE 22 -2.756 1.100 12.324
129 HZ PHE 22 HZ PHE 22 -0.896 0.905 10.721
130 H ILE 23 H ILE 23 -8.903 -1.160 9.455
131 HA ILE 23 HA ILE 23 -9.786 -2.282 6.990
132 HB ILE 23 HB ILE 23 -11.088 -2.586 9.025
133 HG12 ILE 23 1HG1 ILE 23 -13.333 -1.652 8.092
134 HG13 ILE 23 2HG1 ILE 23 -12.356 -1.124 6.726
135 HG21 ILE 23 1HG2 ILE 23 -10.498 -0.139 9.755
136 HG22 ILE 23 2HG2 ILE 23 -12.023 0.242 8.957
137 HG23 ILE 23 3HG2 ILE 23 -11.991 -0.903 10.298
138 HD11 ILE 23 3HD1 ILE 23 -11.626 -3.766 7.097
139 HD12 ILE 23 1HD1 ILE 23 -13.368 -3.748 7.373
140 HD13 ILE 23 2HD1 ILE 23 -12.708 -3.131 5.858
141 H GLN 24 H GLN 24 -9.698 0.998 8.314
142 HA GLN 24 HA GLN 24 -10.881 2.105 5.909
143 HB2 GLN 24 1HB GLN 24 -9.788 3.452 8.385
144 HB3 GLN 24 2HB GLN 24 -10.610 4.278 7.068
145 HG2 GLN 24 1HG GLN 24 -12.518 2.565 7.592
146 HG3 GLN 24 2HG GLN 24 -11.714 2.473 9.158
147 HE21 GLN 24 1HE2 GLN 24 -13.124 4.726 6.840
148 HE22 GLN 24 2HE2 GLN 24 -13.625 5.896 8.008
149 H LYS 25 H LYS 25 -9.728 2.577 4.171
150 HA LYS 25 HA LYS 25 -6.989 2.316 3.911
151 HB2 LYS 25 1HB LYS 25 -8.589 2.402 2.023
152 HB3 LYS 25 2HB LYS 25 -8.790 4.128 2.292
153 HG2 LYS 25 1HG LYS 25 -6.654 4.625 1.533
154 HG3 LYS 25 2HG LYS 25 -6.082 2.971 1.765
155 HD2 LYS 25 1HD LYS 25 -7.473 2.212 -0.083
156 HD3 LYS 25 2HD LYS 25 -8.107 3.846 -0.295
157 HE2 LYS 25 1HE LYS 25 -5.208 3.062 -0.574
158 HE3 LYS 25 2HE LYS 25 -6.330 3.276 -1.917
159 HZ1 LYS 25 3HZ LYS 25 -5.040 5.275 -0.241
160 HZ2 LYS 25 1HZ LYS 25 -6.639 5.595 -0.690
161 HZ3 LYS 25 2HZ LYS 25 -5.462 5.343 -1.877
162 H SER 26 H SER 26 -8.880 5.201 4.673
163 HA SER 26 HA SER 26 -6.852 7.106 4.502
164 HB2 SER 26 1HB SER 26 -9.204 7.724 4.749
165 HB3 SER 26 2HB SER 26 -9.232 7.038 6.373
166 HG SER 26 HG SER 26 -8.617 8.939 6.997
167 H THR 27 H THR 27 -7.847 5.078 7.231
168 HA THR 27 HA THR 27 -6.199 6.143 9.199
169 HB THR 27 HB THR 27 -6.927 3.224 8.892
170 HG1 THR 27 HG1 THR 27 -8.373 5.477 9.754
171 HG21 THR 27 3HG2 THR 27 -6.944 3.938 11.574
172 HG22 THR 27 1HG2 THR 27 -5.516 4.742 10.924
173 HG23 THR 27 2HG2 THR 27 -5.702 2.997 10.749
174 H LEU 28 H LEU 28 -5.457 3.938 6.585
175 HA LEU 28 HA LEU 28 -2.879 3.191 7.585
176 HB2 LEU 28 1HB LEU 28 -3.722 1.601 6.159
177 HB3 LEU 28 2HB LEU 28 -4.391 2.797 5.051
178 HG LEU 28 HG LEU 28 -2.095 3.275 4.250
179 HD11 LEU 28 1HD1 LEU 28 -1.272 0.841 5.814
180 HD12 LEU 28 2HD1 LEU 28 -0.988 2.492 6.365
181 HD13 LEU 28 3HD1 LEU 28 -0.249 1.923 4.868
182 HD21 LEU 28 3HD2 LEU 28 -3.248 0.515 4.044
183 HD22 LEU 28 1HD2 LEU 28 -1.783 0.965 3.171
184 HD23 LEU 28 2HD2 LEU 28 -3.291 1.829 2.868
185 H SER 29 H SER 29 -3.975 5.315 4.943
186 HA SER 29 HA SER 29 -1.517 6.233 4.080
187 HB2 SER 29 1HB SER 29 -3.521 6.776 2.853
188 HB3 SER 29 2HB SER 29 -4.166 7.688 4.218
189 HG SER 29 HG SER 29 -3.235 9.053 2.633
190 H MET 30 H MET 30 -3.464 7.325 6.808
191 HA MET 30 HA MET 30 -1.737 9.527 7.439
192 HB2 MET 30 1HB MET 30 -3.116 9.819 9.397
193 HB3 MET 30 2HB MET 30 -4.154 9.487 8.017
194 HG2 MET 30 1HG MET 30 -4.412 7.185 8.734
195 HG3 MET 30 2HG MET 30 -3.319 7.470 10.087
196 HE1 MET 30 3HE MET 30 -4.836 7.969 12.702
197 HE2 MET 30 1HE MET 30 -6.222 7.009 12.184
198 HE3 MET 30 2HE MET 30 -4.600 6.577 11.643
199 H HIS 31 H HIS 31 -1.645 6.176 7.984
200 HA HIS 31 HA HIS 31 -0.018 6.360 10.387
201 HB2 HIS 31 1HB HIS 31 -1.379 4.491 10.534
202 HB3 HIS 31 2HB HIS 31 -1.238 4.125 8.817
203 HD1 HIS 31 HD1 HIS 31 0.232 3.352 12.101
204 HD2 HIS 31 HD2 HIS 31 1.215 2.808 8.101
205 HE1 HIS 31 HE1 HIS 31 2.065 1.631 12.087
206 H GLN 32 H GLN 32 0.343 5.227 7.035
207 HA GLN 32 HA GLN 32 2.940 4.382 7.037
208 HB2 GLN 32 1HB GLN 32 1.368 5.869 4.946
209 HB3 GLN 32 2HB GLN 32 3.014 5.329 4.646
210 HG2 GLN 32 1HG GLN 32 2.429 3.079 4.765
211 HG3 GLN 32 2HG GLN 32 0.909 3.423 5.589
212 HE21 GLN 32 1HE2 GLN 32 1.714 2.029 3.007
213 HE22 GLN 32 2HE2 GLN 32 0.648 2.704 1.826
214 H ARG 33 H ARG 33 1.782 7.608 7.444
215 HA ARG 33 HA ARG 33 3.913 9.158 6.629
216 HB2 ARG 33 1HB ARG 33 3.082 10.860 8.020
217 HB3 ARG 33 2HB ARG 33 1.670 9.892 7.617
218 HG2 ARG 33 1HG ARG 33 1.769 8.793 9.771
219 HG3 ARG 33 2HG ARG 33 3.243 9.674 10.175
220 HD2 ARG 33 1HD ARG 33 1.909 11.796 9.856
221 HD3 ARG 33 2HD ARG 33 0.471 10.779 9.783
222 HE ARG 33 HE ARG 33 0.630 10.426 12.054
223 HH11 ARG 33 1HH1 ARG 33 3.511 11.996 10.889
224 HH12 ARG 33 2HH1 ARG 33 4.115 12.351 12.474
225 HH21 ARG 33 1HH2 ARG 33 1.415 10.887 14.145
226 HH22 ARG 33 2HH2 ARG 33 2.923 11.719 14.325
227 H ILE 34 H ILE 34 3.518 7.364 9.648
228 HA ILE 34 HA ILE 34 5.712 8.307 11.056
229 HB ILE 34 HB ILE 34 5.612 6.351 12.388
230 HG12 ILE 34 1HG1 ILE 34 4.105 5.018 10.127
231 HG13 ILE 34 2HG1 ILE 34 5.787 4.713 10.546
232 HG21 ILE 34 1HG2 ILE 34 2.819 6.081 11.855
233 HG22 ILE 34 2HG2 ILE 34 3.621 6.933 13.174
234 HG23 ILE 34 3HG2 ILE 34 3.289 7.769 11.658
235 HD11 ILE 34 3HD1 ILE 34 3.839 3.151 11.375
236 HD12 ILE 34 1HD1 ILE 34 5.249 3.484 12.379
237 HD13 ILE 34 2HD1 ILE 34 3.741 4.355 12.660
238 H HIS 35 H HIS 35 5.639 6.442 8.197
239 HA HIS 35 HA HIS 35 8.374 5.473 8.562
240 HB2 HIS 35 1HB HIS 35 6.430 4.982 6.297
241 HB3 HIS 35 2HB HIS 35 7.997 4.204 6.498
242 HD1 HIS 35 HD1 HIS 35 7.979 3.228 9.304
243 HD2 HIS 35 HD2 HIS 35 4.584 3.115 6.912
244 HE1 HIS 35 HE1 HIS 35 6.505 1.457 10.311
245 H ARG 36 H ARG 36 6.498 7.762 6.694
246 HA ARG 36 HA ARG 36 8.694 8.435 4.945
247 HB2 ARG 36 1HB ARG 36 5.912 9.511 5.332
248 HB3 ARG 36 2HB ARG 36 7.077 10.345 4.312
249 HG2 ARG 36 1HG ARG 36 7.322 8.260 2.986
250 HG3 ARG 36 2HG ARG 36 6.026 7.549 3.951
251 HD2 ARG 36 1HD ARG 36 5.129 8.400 1.873
252 HD3 ARG 36 2HD ARG 36 4.526 9.361 3.223
253 HE ARG 36 HE ARG 36 6.320 10.233 1.121
254 HH11 ARG 36 1HH1 ARG 36 4.928 10.886 4.244
255 HH12 ARG 36 2HH1 ARG 36 5.249 12.587 4.176
256 HH21 ARG 36 1HH2 ARG 36 6.747 12.471 1.019
257 HH22 ARG 36 2HH2 ARG 36 6.282 13.488 2.341
258 H GLY 37 H GLY 37 10.286 9.020 6.515
259 HA2 GLY 37 1HA GLY 37 9.775 11.630 7.802
260 HA3 GLY 37 2HA GLY 37 10.869 10.416 8.448
261 H GLU 38 H GLU 38 11.926 12.817 8.256
262 HA GLU 38 HA GLU 38 12.954 13.930 6.050
263 HB2 GLU 38 1HB GLU 38 13.522 14.287 8.591
264 HB3 GLU 38 2HB GLU 38 14.912 13.278 8.215
265 HG2 GLU 38 1HG GLU 38 15.387 15.691 8.076
266 HG3 GLU 38 2HG GLU 38 15.673 14.836 6.561
267 H LYS 39 H LYS 39 14.487 11.129 7.637
268 HA LYS 39 HA LYS 39 15.371 10.176 5.025
269 HB2 LYS 39 1HB LYS 39 17.265 10.606 7.344
270 HB3 LYS 39 2HB LYS 39 17.672 9.810 5.830
271 HG2 LYS 39 1HG LYS 39 17.635 11.780 4.627
272 HG3 LYS 39 2HG LYS 39 16.611 12.601 5.808
273 HD2 LYS 39 1HD LYS 39 18.696 13.561 6.169
274 HD3 LYS 39 2HD LYS 39 18.621 12.305 7.408
275 HE2 LYS 39 1HE LYS 39 19.916 11.928 4.714
276 HE3 LYS 39 2HE LYS 39 20.791 12.442 6.156
277 HZ1 LYS 39 3HZ LYS 39 19.444 10.238 6.985
278 HZ2 LYS 39 1HZ LYS 39 21.071 10.278 6.525
279 HZ3 LYS 39 2HZ LYS 39 19.887 9.825 5.405
280 HA PRO 40 HA PRO 40 14.309 6.251 6.691
281 HB2 PRO 40 1HB PRO 40 15.898 4.640 5.191
282 HB3 PRO 40 2HB PRO 40 14.465 5.447 4.545
283 HG2 PRO 40 1HG PRO 40 17.344 6.234 4.320
284 HG3 PRO 40 2HG PRO 40 16.079 6.251 3.077
285 HD2 PRO 40 1HD PRO 40 16.861 8.485 4.392
286 HD3 PRO 40 2HD PRO 40 15.196 8.244 3.826
287 H SER 41 H SER 41 15.298 4.251 7.641
288 HA SER 41 HA SER 41 17.707 4.978 9.165
289 HB2 SER 41 1HB SER 41 15.486 3.030 9.829
290 HB3 SER 41 2HB SER 41 16.918 3.296 10.824
291 HG SER 41 HG SER 41 15.067 4.532 11.484
292 H GLY 42 H GLY 42 19.449 3.616 9.272
293 HA2 GLY 42 1HA GLY 42 19.761 1.757 7.114
294 HA3 GLY 42 2HA GLY 42 20.949 2.120 8.357
295 HA PRO 43 HA PRO 43 19.093 -2.169 8.949
296 HB2 PRO 43 1HB PRO 43 21.398 -3.557 8.593
297 HB3 PRO 43 2HB PRO 43 20.304 -3.155 7.264
298 HG2 PRO 43 1HG PRO 43 22.835 -1.798 8.113
299 HG3 PRO 43 2HG PRO 43 22.269 -2.191 6.478
300 HD2 PRO 43 1HD PRO 43 22.051 0.291 7.538
301 HD3 PRO 43 2HD PRO 43 20.868 -0.364 6.388
302 H SER 44 H SER 44 18.792 -2.179 11.104
303 HA SER 44 HA SER 44 21.172 -2.077 12.838
304 HB2 SER 44 1HB SER 44 18.325 -1.202 13.298
305 HB3 SER 44 2HB SER 44 19.433 -1.485 14.641
306 HG SER 44 HG SER 44 20.833 -0.004 13.152
307 H SER 45 H SER 45 20.908 -3.312 14.919
308 HA SER 45 HA SER 45 19.915 -5.984 14.278
309 HB2 SER 45 1HB SER 45 21.220 -6.640 16.338
310 HB3 SER 45 2HB SER 45 22.190 -5.953 15.035
311 HG SER 45 HG SER 45 21.496 -4.855 17.516
312 H GLY 46 H GLY 46 17.909 -4.134 14.794
313 HA2 GLY 46 1HA GLY 46 15.954 -3.990 15.994
314 HA3 GLY 46 2HA GLY 46 16.441 -5.465 16.816
Start of MODEL 8
1 H1 GLY 1 H GLY 1 1.296 -30.536 -9.373
2 HA2 GLY 1 1HA GLY 1 0.425 -32.326 -7.529
3 HA3 GLY 1 2HA GLY 1 2.063 -31.979 -6.997
4 H SER 2 H SER 2 -0.735 -31.364 -5.941
5 HA SER 2 HA SER 2 -0.273 -28.486 -5.505
6 HB2 SER 2 1HB SER 2 -2.254 -28.627 -6.822
7 HB3 SER 2 2HB SER 2 -2.881 -29.967 -5.862
8 HG SER 2 HG SER 2 -3.463 -28.608 -4.307
9 H SER 3 H SER 3 0.486 -28.247 -3.511
10 HA SER 3 HA SER 3 -1.030 -29.260 -1.270
11 HB2 SER 3 1HB SER 3 1.881 -30.041 -1.555
12 HB3 SER 3 2HB SER 3 0.811 -30.442 -0.211
13 HG SER 3 HG SER 3 0.664 -31.355 -2.889
14 H GLY 4 H GLY 4 -0.495 -28.238 0.720
15 HA2 GLY 4 1HA GLY 4 1.131 -26.741 1.872
16 HA3 GLY 4 2HA GLY 4 1.177 -25.825 0.374
17 H SER 5 H SER 5 -0.577 -24.505 -0.188
18 HA SER 5 HA SER 5 -2.829 -24.287 1.620
19 HB2 SER 5 1HB SER 5 -0.786 -22.884 2.488
20 HB3 SER 5 2HB SER 5 -1.260 -21.766 1.210
21 HG SER 5 HG SER 5 -2.583 -22.454 3.563
22 H SER 6 H SER 6 -4.229 -22.329 0.901
23 HA SER 6 HA SER 6 -3.992 -21.488 -1.821
24 HB2 SER 6 1HB SER 6 -4.812 -23.887 -2.004
25 HB3 SER 6 2HB SER 6 -6.300 -23.346 -1.228
26 HG SER 6 HG SER 6 -6.725 -22.041 -2.957
27 H GLY 7 H GLY 7 -5.433 -19.840 -2.350
28 HA2 GLY 7 1HA GLY 7 -7.662 -18.828 -1.736
29 HA3 GLY 7 2HA GLY 7 -7.072 -18.893 -0.082
30 H THR 8 H THR 8 -7.507 -16.908 -2.665
31 HA THR 8 HA THR 8 -5.137 -15.337 -2.594
32 HB THR 8 HB THR 8 -6.631 -15.290 -4.534
33 HG1 THR 8 HG1 THR 8 -6.950 -12.776 -4.315
34 HG21 THR 8 3HG2 THR 8 -8.571 -13.805 -2.760
35 HG22 THR 8 1HG2 THR 8 -8.759 -15.484 -3.262
36 HG23 THR 8 2HG2 THR 8 -8.782 -14.196 -4.466
37 H GLY 9 H GLY 9 -4.994 -13.104 -1.851
38 HA2 GLY 9 1HA GLY 9 -6.590 -12.678 0.600
39 HA3 GLY 9 2HA GLY 9 -4.897 -12.229 0.452
40 H GLU 10 H GLU 10 -4.435 -10.200 -0.111
41 HA GLU 10 HA GLU 10 -4.886 -7.962 -0.406
42 HB2 GLU 10 1HB GLU 10 -4.469 -8.967 -2.693
43 HB3 GLU 10 2HB GLU 10 -6.213 -8.981 -2.917
44 HG2 GLU 10 1HG GLU 10 -6.355 -6.691 -3.048
45 HG3 GLU 10 2HG GLU 10 -4.856 -6.441 -2.154
46 H ARG 11 H ARG 11 -6.801 -9.030 1.278
47 HA ARG 11 HA ARG 11 -9.400 -8.125 0.323
48 HB2 ARG 11 1HB ARG 11 -8.892 -10.244 1.774
49 HB3 ARG 11 2HB ARG 11 -8.888 -9.100 3.109
50 HG2 ARG 11 1HG ARG 11 -11.063 -9.945 3.046
51 HG3 ARG 11 2HG ARG 11 -11.175 -8.362 2.273
52 HD2 ARG 11 1HD ARG 11 -10.874 -9.598 0.068
53 HD3 ARG 11 2HD ARG 11 -11.171 -11.076 0.981
54 HE ARG 11 HE ARG 11 -13.287 -9.554 1.641
55 HH11 ARG 11 1HH1 ARG 11 -11.855 -10.384 -1.421
56 HH12 ARG 11 2HH1 ARG 11 -13.351 -10.299 -2.291
57 HH21 ARG 11 1HH2 ARG 11 -15.263 -9.438 0.507
58 HH22 ARG 11 2HH2 ARG 11 -15.288 -9.760 -1.194
59 H HIS 12 H HIS 12 -7.426 -7.553 3.244
60 HA HIS 12 HA HIS 12 -8.682 -4.911 3.487
61 HB2 HIS 12 1HB HIS 12 -7.553 -5.007 5.806
62 HB3 HIS 12 2HB HIS 12 -8.948 -6.043 5.522
63 HD1 HIS 12 HD1 HIS 12 -8.630 -8.357 6.306
64 HD2 HIS 12 HD2 HIS 12 -5.022 -6.579 5.267
65 HE1 HIS 12 HE1 HIS 12 -6.862 -10.070 6.823
66 H TYR 13 H TYR 13 -7.205 -3.181 4.407
67 HA TYR 13 HA TYR 13 -4.888 -2.994 2.685
68 HB2 TYR 13 1HB TYR 13 -5.728 -0.938 4.717
69 HB3 TYR 13 2HB TYR 13 -4.849 -0.695 3.211
70 HD1 TYR 13 HD2 TYR 13 -8.165 -1.433 4.657
71 HD2 TYR 13 HD1 TYR 13 -6.000 -0.373 1.151
72 HE1 TYR 13 HE2 TYR 13 -10.281 -0.916 3.513
73 HE2 TYR 13 HE1 TYR 13 -8.109 0.149 -0.001
74 HH TYR 13 HH TYR 13 -11.242 -0.263 1.625
75 H GLU 14 H GLU 14 -2.786 -3.047 3.284
76 HA GLU 14 HA GLU 14 -2.148 -3.209 6.143
77 HB2 GLU 14 1HB GLU 14 -1.633 -5.260 4.047
78 HB3 GLU 14 2HB GLU 14 -0.380 -4.994 5.251
79 HG2 GLU 14 1HG GLU 14 -2.109 -5.367 7.015
80 HG3 GLU 14 2HG GLU 14 -3.226 -5.834 5.733
81 H CYS 15 H CYS 15 -0.180 -2.362 6.731
82 HA CYS 15 HA CYS 15 1.008 -0.520 4.883
83 HB2 CYS 15 1HB CYS 15 0.737 -0.031 7.306
84 HB3 CYS 15 2HB CYS 15 1.922 -1.284 7.664
85 H SER 16 H SER 16 2.504 -1.025 3.441
86 HA SER 16 HA SER 16 4.022 -3.485 3.697
87 HB2 SER 16 1HB SER 16 4.079 -1.420 1.484
88 HB3 SER 16 2HB SER 16 4.761 -3.045 1.418
89 HG SER 16 HG SER 16 2.618 -3.845 1.687
90 H GLU 17 H GLU 17 4.653 -1.581 5.659
91 HA GLU 17 HA GLU 17 7.437 -0.973 4.927
92 HB2 GLU 17 1HB GLU 17 5.533 0.777 6.488
93 HB3 GLU 17 2HB GLU 17 7.269 1.045 6.413
94 HG2 GLU 17 1HG GLU 17 5.774 0.819 3.859
95 HG3 GLU 17 2HG GLU 17 5.599 2.294 4.807
96 H CYS 18 H CYS 18 5.135 -1.511 7.569
97 HA CYS 18 HA CYS 18 7.352 -2.625 9.161
98 HB2 CYS 18 1HB CYS 18 6.005 -2.013 11.173
99 HB3 CYS 18 2HB CYS 18 6.543 -0.624 10.235
100 H GLY 19 H GLY 19 3.845 -2.834 8.584
101 HA2 GLY 19 1HA GLY 19 3.118 -5.150 7.930
102 HA3 GLY 19 2HA GLY 19 3.998 -5.682 9.354
103 H LYS 20 H LYS 20 1.538 -3.222 8.563
104 HA LYS 20 HA LYS 20 0.013 -4.159 10.904
105 HB2 LYS 20 1HB LYS 20 0.741 -1.410 10.033
106 HB3 LYS 20 2HB LYS 20 -0.862 -1.640 10.718
107 HG2 LYS 20 1HG LYS 20 0.167 -2.628 12.726
108 HG3 LYS 20 2HG LYS 20 1.761 -2.301 12.041
109 HD2 LYS 20 1HD LYS 20 1.505 0.007 12.235
110 HD3 LYS 20 2HD LYS 20 -0.252 -0.103 12.360
111 HE2 LYS 20 1HE LYS 20 0.359 0.344 14.542
112 HE3 LYS 20 2HE LYS 20 0.249 -1.415 14.546
113 HZ1 LYS 20 3HZ LYS 20 2.373 -1.551 15.110
114 HZ2 LYS 20 1HZ LYS 20 2.427 0.133 15.259
115 HZ3 LYS 20 2HZ LYS 20 2.851 -0.600 13.795
116 H ALA 21 H ALA 21 -2.351 -3.436 10.751
117 HA ALA 21 HA ALA 21 -3.331 -3.430 7.991
118 HB1 ALA 21 3HB ALA 21 -4.125 -5.431 10.097
119 HB2 ALA 21 1HB ALA 21 -5.028 -5.160 8.606
120 HB3 ALA 21 2HB ALA 21 -3.367 -5.752 8.537
121 H PHE 22 H PHE 22 -5.092 -2.183 7.682
122 HA PHE 22 HA PHE 22 -6.548 -1.228 10.053
123 HB2 PHE 22 1HB PHE 22 -5.683 0.489 7.716
124 HB3 PHE 22 2HB PHE 22 -6.622 1.027 9.105
125 HD1 PHE 22 HD2 PHE 22 -3.312 -0.074 7.960
126 HD2 PHE 22 HD1 PHE 22 -5.581 1.497 11.200
127 HE1 PHE 22 HE2 PHE 22 -1.229 0.469 9.151
128 HE2 PHE 22 HE1 PHE 22 -3.501 2.044 12.396
129 HZ PHE 22 HZ PHE 22 -1.322 1.529 11.372
130 H ILE 23 H ILE 23 -8.732 -0.854 9.789
131 HA ILE 23 HA ILE 23 -10.047 -2.349 7.779
132 HB ILE 23 HB ILE 23 -11.067 -2.043 9.961
133 HG12 ILE 23 1HG1 ILE 23 -12.887 -0.544 8.113
134 HG13 ILE 23 2HG1 ILE 23 -12.409 -2.189 7.709
135 HG21 ILE 23 1HG2 ILE 23 -11.359 0.865 9.217
136 HG22 ILE 23 2HG2 ILE 23 -11.956 0.096 10.686
137 HG23 ILE 23 3HG2 ILE 23 -10.221 0.221 10.400
138 HD11 ILE 23 3HD1 ILE 23 -13.236 -2.123 10.429
139 HD12 ILE 23 1HD1 ILE 23 -14.462 -1.335 9.436
140 HD13 ILE 23 2HD1 ILE 23 -13.956 -2.984 9.068
141 H GLN 24 H GLN 24 -9.538 1.122 8.247
142 HA GLN 24 HA GLN 24 -10.788 1.642 5.646
143 HB2 GLN 24 1HB GLN 24 -10.198 3.339 8.042
144 HB3 GLN 24 2HB GLN 24 -10.399 4.097 6.468
145 HG2 GLN 24 1HG GLN 24 -12.611 2.849 6.330
146 HG3 GLN 24 2HG GLN 24 -12.401 2.525 8.050
147 HE21 GLN 24 1HE2 GLN 24 -13.218 3.955 9.400
148 HE22 GLN 24 2HE2 GLN 24 -13.625 5.591 9.025
149 H LYS 25 H LYS 25 -9.689 2.538 3.955
150 HA LYS 25 HA LYS 25 -6.915 2.095 3.776
151 HB2 LYS 25 1HB LYS 25 -8.178 2.025 1.766
152 HB3 LYS 25 2HB LYS 25 -8.851 3.626 2.047
153 HG2 LYS 25 1HG LYS 25 -7.279 4.019 0.407
154 HG3 LYS 25 2HG LYS 25 -6.399 4.427 1.882
155 HD2 LYS 25 1HD LYS 25 -6.251 1.622 0.917
156 HD3 LYS 25 2HD LYS 25 -5.369 2.850 0.005
157 HE2 LYS 25 1HE LYS 25 -5.125 2.473 2.984
158 HE3 LYS 25 2HE LYS 25 -4.050 1.715 1.811
159 HZ1 LYS 25 3HZ LYS 25 -3.704 4.166 2.930
160 HZ2 LYS 25 1HZ LYS 25 -4.331 4.537 1.403
161 HZ3 LYS 25 2HZ LYS 25 -2.928 3.602 1.537
162 H SER 26 H SER 26 -8.691 5.192 3.739
163 HA SER 26 HA SER 26 -6.565 6.923 3.806
164 HB2 SER 26 1HB SER 26 -8.070 8.562 4.810
165 HB3 SER 26 2HB SER 26 -8.935 7.616 3.599
166 HG SER 26 HG SER 26 -9.709 7.994 6.012
167 H THR 27 H THR 27 -8.003 5.147 6.483
168 HA THR 27 HA THR 27 -6.729 6.418 8.615
169 HB THR 27 HB THR 27 -7.527 3.512 8.358
170 HG1 THR 27 HG1 THR 27 -8.855 5.879 9.097
171 HG21 THR 27 3HG2 THR 27 -6.932 3.146 10.497
172 HG22 THR 27 1HG2 THR 27 -7.467 4.743 11.019
173 HG23 THR 27 2HG2 THR 27 -5.880 4.544 10.278
174 H LEU 28 H LEU 28 -5.632 3.767 6.546
175 HA LEU 28 HA LEU 28 -3.269 3.177 7.963
176 HB2 LEU 28 1HB LEU 28 -3.792 1.513 6.494
177 HB3 LEU 28 2HB LEU 28 -4.319 2.636 5.242
178 HG LEU 28 HG LEU 28 -1.847 3.181 4.924
179 HD11 LEU 28 1HD1 LEU 28 -0.680 0.800 5.612
180 HD12 LEU 28 2HD1 LEU 28 -1.703 1.145 7.006
181 HD13 LEU 28 3HD1 LEU 28 -0.500 2.323 6.483
182 HD21 LEU 28 3HD2 LEU 28 -1.593 0.735 3.836
183 HD22 LEU 28 1HD2 LEU 28 -2.579 2.018 3.134
184 HD23 LEU 28 2HD2 LEU 28 -3.334 0.764 4.119
185 H SER 29 H SER 29 -3.888 5.308 5.194
186 HA SER 29 HA SER 29 -1.321 6.109 4.604
187 HB2 SER 29 1HB SER 29 -3.979 7.479 4.422
188 HB3 SER 29 2HB SER 29 -2.512 8.386 4.055
189 HG SER 29 HG SER 29 -2.688 5.896 2.875
190 H MET 30 H MET 30 -3.485 7.376 7.104
191 HA MET 30 HA MET 30 -1.882 9.497 7.974
192 HB2 MET 30 1HB MET 30 -3.673 7.836 9.745
193 HB3 MET 30 2HB MET 30 -3.224 9.523 9.956
194 HG2 MET 30 1HG MET 30 -4.405 9.928 7.729
195 HG3 MET 30 2HG MET 30 -5.095 8.322 7.950
196 HE1 MET 30 3HE MET 30 -5.270 12.099 9.017
197 HE2 MET 30 1HE MET 30 -6.282 11.422 7.740
198 HE3 MET 30 2HE MET 30 -7.017 11.995 9.237
199 H HIS 31 H HIS 31 -1.523 6.105 8.369
200 HA HIS 31 HA HIS 31 0.299 6.376 10.627
201 HB2 HIS 31 1HB HIS 31 -0.901 4.448 10.971
202 HB3 HIS 31 2HB HIS 31 -1.053 4.107 9.250
203 HD1 HIS 31 HD1 HIS 31 1.038 3.392 12.212
204 HD2 HIS 31 HD2 HIS 31 1.202 2.785 8.105
205 HE1 HIS 31 HE1 HIS 31 2.859 1.694 11.855
206 H GLN 32 H GLN 32 0.416 4.947 7.359
207 HA GLN 32 HA GLN 32 2.996 4.269 7.082
208 HB2 GLN 32 1HB GLN 32 1.059 5.521 5.207
209 HB3 GLN 32 2HB GLN 32 2.739 5.442 4.694
210 HG2 GLN 32 1HG GLN 32 2.600 2.957 5.317
211 HG3 GLN 32 2HG GLN 32 0.854 3.200 5.306
212 HE21 GLN 32 1HE2 GLN 32 -0.129 3.922 3.335
213 HE22 GLN 32 2HE2 GLN 32 0.600 3.542 1.816
214 H ARG 33 H ARG 33 1.804 7.510 7.457
215 HA ARG 33 HA ARG 33 3.866 9.050 6.483
216 HB2 ARG 33 1HB ARG 33 3.176 10.767 8.023
217 HB3 ARG 33 2HB ARG 33 1.746 9.914 7.459
218 HG2 ARG 33 1HG ARG 33 1.786 8.582 9.558
219 HG3 ARG 33 2HG ARG 33 3.110 9.604 10.122
220 HD2 ARG 33 1HD ARG 33 0.749 10.213 10.878
221 HD3 ARG 33 2HD ARG 33 1.751 11.507 10.220
222 HE ARG 33 HE ARG 33 0.059 10.213 8.280
223 HH11 ARG 33 1HH1 ARG 33 0.317 12.758 10.640
224 HH12 ARG 33 2HH1 ARG 33 -0.930 13.726 9.925
225 HH21 ARG 33 1HH2 ARG 33 -1.584 11.477 7.329
226 HH22 ARG 33 2HH2 ARG 33 -2.011 12.996 8.042
227 H ILE 34 H ILE 34 3.624 7.535 9.688
228 HA ILE 34 HA ILE 34 5.876 8.490 10.907
229 HB ILE 34 HB ILE 34 5.955 6.484 12.234
230 HG12 ILE 34 1HG1 ILE 34 3.901 5.106 10.563
231 HG13 ILE 34 2HG1 ILE 34 5.575 5.066 10.019
232 HG21 ILE 34 1HG2 ILE 34 3.512 7.902 11.668
233 HG22 ILE 34 2HG2 ILE 34 3.176 6.262 12.220
234 HG23 ILE 34 3HG2 ILE 34 4.154 7.343 13.213
235 HD11 ILE 34 3HD1 ILE 34 5.345 4.419 12.826
236 HD12 ILE 34 1HD1 ILE 34 4.375 3.348 11.816
237 HD13 ILE 34 2HD1 ILE 34 6.104 3.518 11.514
238 H HIS 35 H HIS 35 5.696 6.383 8.181
239 HA HIS 35 HA HIS 35 8.467 5.533 8.415
240 HB2 HIS 35 1HB HIS 35 6.337 4.971 6.346
241 HB3 HIS 35 2HB HIS 35 7.982 4.351 6.248
242 HD1 HIS 35 HD1 HIS 35 8.680 2.910 8.529
243 HD2 HIS 35 HD2 HIS 35 4.650 3.269 7.586
244 HE1 HIS 35 HE1 HIS 35 7.530 1.053 9.776
245 H ARG 36 H ARG 36 6.515 7.807 6.614
246 HA ARG 36 HA ARG 36 8.205 8.436 4.514
247 HB2 ARG 36 1HB ARG 36 6.331 10.195 6.099
248 HB3 ARG 36 2HB ARG 36 7.144 10.726 4.632
249 HG2 ARG 36 1HG ARG 36 6.047 8.911 3.389
250 HG3 ARG 36 2HG ARG 36 5.199 8.440 4.863
251 HD2 ARG 36 1HD ARG 36 3.783 9.816 3.427
252 HD3 ARG 36 2HD ARG 36 4.125 10.628 4.954
253 HE ARG 36 HE ARG 36 6.026 11.643 3.383
254 HH11 ARG 36 1HH1 ARG 36 2.614 11.200 2.852
255 HH12 ARG 36 2HH1 ARG 36 2.469 12.565 1.794
256 HH21 ARG 36 1HH2 ARG 36 5.848 13.442 1.992
257 HH22 ARG 36 2HH2 ARG 36 4.309 13.839 1.305
258 H GLY 37 H GLY 37 10.327 8.797 4.714
259 HA2 GLY 37 1HA GLY 37 11.575 9.881 7.004
260 HA3 GLY 37 2HA GLY 37 12.319 9.694 5.422
261 H GLU 38 H GLU 38 12.733 11.869 7.224
262 HA GLU 38 HA GLU 38 11.584 14.070 5.636
263 HB2 GLU 38 1HB GLU 38 12.276 14.048 8.578
264 HB3 GLU 38 2HB GLU 38 11.789 15.477 7.678
265 HG2 GLU 38 1HG GLU 38 9.609 14.674 7.365
266 HG3 GLU 38 2HG GLU 38 10.058 13.034 7.829
267 H LYS 39 H LYS 39 14.365 13.002 7.555
268 HA LYS 39 HA LYS 39 16.089 15.122 6.974
269 HB2 LYS 39 1HB LYS 39 16.807 12.223 7.447
270 HB3 LYS 39 2HB LYS 39 17.906 13.589 7.581
271 HG2 LYS 39 1HG LYS 39 15.421 13.395 9.247
272 HG3 LYS 39 2HG LYS 39 16.936 12.632 9.732
273 HD2 LYS 39 1HD LYS 39 16.836 15.532 8.975
274 HD3 LYS 39 2HD LYS 39 16.416 15.001 10.605
275 HE2 LYS 39 1HE LYS 39 18.973 14.097 9.348
276 HE3 LYS 39 2HE LYS 39 18.862 15.709 10.054
277 HZ1 LYS 39 3HZ LYS 39 19.399 14.679 11.944
278 HZ2 LYS 39 1HZ LYS 39 19.006 13.143 11.351
279 HZ3 LYS 39 2HZ LYS 39 17.794 14.144 11.975
280 HA PRO 40 HA PRO 40 17.093 14.600 2.722
281 HB2 PRO 40 1HB PRO 40 19.523 15.810 2.690
282 HB3 PRO 40 2HB PRO 40 18.005 16.706 2.831
283 HG2 PRO 40 1HG PRO 40 19.935 15.901 4.973
284 HG3 PRO 40 2HG PRO 40 19.091 17.445 4.749
285 HD2 PRO 40 1HD PRO 40 18.264 15.576 6.526
286 HD3 PRO 40 2HD PRO 40 17.136 16.654 5.680
287 H SER 41 H SER 41 18.643 12.990 5.210
288 HA SER 41 HA SER 41 20.588 11.680 3.456
289 HB2 SER 41 1HB SER 41 20.198 11.443 6.450
290 HB3 SER 41 2HB SER 41 21.497 10.695 5.520
291 HG SER 41 HG SER 41 21.320 13.207 6.486
292 H GLY 42 H GLY 42 20.824 9.252 3.839
293 HA2 GLY 42 1HA GLY 42 19.646 7.205 4.494
294 HA3 GLY 42 2HA GLY 42 18.148 8.021 4.067
295 HA PRO 43 HA PRO 43 20.520 6.816 -0.011
296 HB2 PRO 43 1HB PRO 43 22.255 4.749 0.284
297 HB3 PRO 43 2HB PRO 43 22.743 6.441 0.430
298 HG2 PRO 43 1HG PRO 43 22.117 4.458 2.584
299 HG3 PRO 43 2HG PRO 43 23.437 5.639 2.500
300 HD2 PRO 43 1HD PRO 43 21.197 6.061 3.960
301 HD3 PRO 43 2HD PRO 43 22.090 7.381 3.181
302 H SER 44 H SER 44 20.245 4.907 -1.421
303 HA SER 44 HA SER 44 17.885 3.492 -0.781
304 HB2 SER 44 1HB SER 44 19.837 3.458 -3.041
305 HB3 SER 44 2HB SER 44 18.712 2.108 -2.891
306 HG SER 44 HG SER 44 17.018 3.487 -3.130
307 H SER 45 H SER 45 18.064 2.210 1.005
308 HA SER 45 HA SER 45 20.114 0.670 1.898
309 HB2 SER 45 1HB SER 45 17.229 -0.243 1.897
310 HB3 SER 45 2HB SER 45 18.490 -0.719 3.034
311 HG SER 45 HG SER 45 16.883 1.116 3.523
312 H GLY 46 H GLY 46 21.388 -0.657 0.784
313 HA2 GLY 46 1HA GLY 46 20.097 -2.694 -0.918
314 HA3 GLY 46 2HA GLY 46 21.513 -1.815 -1.477
Start of MODEL 9
1 H1 GLY 1 H GLY 1 9.996 -22.527 -0.463
2 HA2 GLY 1 1HA GLY 1 8.453 -20.836 -0.286
3 HA3 GLY 1 2HA GLY 1 7.662 -21.540 -1.689
4 H SER 2 H SER 2 6.476 -20.322 0.687
5 HA SER 2 HA SER 2 5.113 -22.639 1.878
6 HB2 SER 2 1HB SER 2 5.159 -19.769 2.841
7 HB3 SER 2 2HB SER 2 4.442 -21.142 3.684
8 HG SER 2 HG SER 2 7.142 -21.268 2.951
9 H SER 3 H SER 3 2.873 -22.768 1.916
10 HA SER 3 HA SER 3 1.335 -20.727 0.508
11 HB2 SER 3 1HB SER 3 1.421 -23.632 -0.339
12 HB3 SER 3 2HB SER 3 0.238 -22.459 -0.918
13 HG SER 3 HG SER 3 1.879 -22.499 -2.398
14 H GLY 4 H GLY 4 -0.835 -20.659 1.067
15 HA2 GLY 4 1HA GLY 4 -2.698 -22.081 2.051
16 HA3 GLY 4 2HA GLY 4 -1.557 -22.380 3.354
17 H SER 5 H SER 5 -2.512 -19.440 1.581
18 HA SER 5 HA SER 5 -3.397 -18.283 4.133
19 HB2 SER 5 1HB SER 5 -2.271 -16.197 3.665
20 HB3 SER 5 2HB SER 5 -1.085 -17.499 3.570
21 HG SER 5 HG SER 5 -2.087 -17.248 1.161
22 H SER 6 H SER 6 -5.088 -19.394 2.245
23 HA SER 6 HA SER 6 -6.495 -17.001 1.287
24 HB2 SER 6 1HB SER 6 -7.173 -18.263 -0.756
25 HB3 SER 6 2HB SER 6 -5.439 -17.955 -0.677
26 HG SER 6 HG SER 6 -5.667 -20.079 -1.215
27 H GLY 7 H GLY 7 -8.824 -17.551 0.703
28 HA2 GLY 7 1HA GLY 7 -10.861 -18.516 1.211
29 HA3 GLY 7 2HA GLY 7 -9.996 -19.862 1.938
30 H THR 8 H THR 8 -12.357 -18.274 2.839
31 HA THR 8 HA THR 8 -13.123 -17.117 4.682
32 HB THR 8 HB THR 8 -12.461 -18.262 6.827
33 HG1 THR 8 HG1 THR 8 -10.867 -19.792 5.023
34 HG21 THR 8 3HG2 THR 8 -13.391 -20.511 6.103
35 HG22 THR 8 1HG2 THR 8 -13.409 -19.868 4.462
36 HG23 THR 8 2HG2 THR 8 -14.379 -19.101 5.719
37 H GLY 9 H GLY 9 -11.002 -15.696 3.545
38 HA2 GLY 9 1HA GLY 9 -9.346 -14.869 5.827
39 HA3 GLY 9 2HA GLY 9 -9.042 -14.475 4.141
40 H GLU 10 H GLU 10 -8.793 -12.403 5.685
41 HA GLU 10 HA GLU 10 -11.329 -10.925 5.423
42 HB2 GLU 10 1HB GLU 10 -10.514 -11.402 7.800
43 HB3 GLU 10 2HB GLU 10 -9.202 -10.284 7.458
44 HG2 GLU 10 1HG GLU 10 -10.914 -9.106 8.622
45 HG3 GLU 10 2HG GLU 10 -10.887 -8.539 6.954
46 H ARG 11 H ARG 11 -11.248 -9.339 3.989
47 HA ARG 11 HA ARG 11 -8.736 -8.505 2.853
48 HB2 ARG 11 1HB ARG 11 -10.084 -7.193 1.317
49 HB3 ARG 11 2HB ARG 11 -10.751 -8.814 1.461
50 HG2 ARG 11 1HG ARG 11 -12.630 -8.097 2.552
51 HG3 ARG 11 2HG ARG 11 -11.834 -6.665 3.209
52 HD2 ARG 11 1HD ARG 11 -13.245 -5.780 1.594
53 HD3 ARG 11 2HD ARG 11 -11.701 -5.894 0.749
54 HE ARG 11 HE ARG 11 -12.964 -8.253 0.201
55 HH11 ARG 11 1HH1 ARG 11 -13.746 -4.884 -0.193
56 HH12 ARG 11 2HH1 ARG 11 -14.729 -5.142 -1.596
57 HH21 ARG 11 1HH2 ARG 11 -14.256 -8.606 -1.646
58 HH22 ARG 11 2HH2 ARG 11 -15.018 -7.259 -2.421
59 H HIS 12 H HIS 12 -7.733 -6.545 3.045
60 HA HIS 12 HA HIS 12 -8.852 -4.245 4.216
61 HB2 HIS 12 1HB HIS 12 -7.229 -4.395 6.290
62 HB3 HIS 12 2HB HIS 12 -8.842 -5.100 6.356
63 HD1 HIS 12 HD1 HIS 12 -8.510 -7.083 7.825
64 HD2 HIS 12 HD2 HIS 12 -5.619 -6.828 4.852
65 HE1 HIS 12 HE1 HIS 12 -7.176 -9.208 8.000
66 H TYR 13 H TYR 13 -6.982 -2.699 4.957
67 HA TYR 13 HA TYR 13 -4.927 -2.877 2.872
68 HB2 TYR 13 1HB TYR 13 -5.570 -0.448 4.538
69 HB3 TYR 13 2HB TYR 13 -4.731 -0.515 2.992
70 HD1 TYR 13 HD2 TYR 13 -8.018 -0.764 4.638
71 HD2 TYR 13 HD1 TYR 13 -5.944 -0.579 0.928
72 HE1 TYR 13 HE2 TYR 13 -10.147 -0.360 3.475
73 HE2 TYR 13 HE1 TYR 13 -8.067 -0.173 -0.246
74 HH TYR 13 HH TYR 13 -11.085 0.279 1.522
75 H GLU 14 H GLU 14 -3.131 -3.841 3.577
76 HA GLU 14 HA GLU 14 -2.224 -3.375 6.321
77 HB2 GLU 14 1HB GLU 14 -2.387 -5.694 5.050
78 HB3 GLU 14 2HB GLU 14 -0.802 -5.220 4.455
79 HG2 GLU 14 1HG GLU 14 -0.001 -4.999 6.750
80 HG3 GLU 14 2HG GLU 14 -1.590 -5.471 7.349
81 H CYS 15 H CYS 15 -0.518 -2.141 6.799
82 HA CYS 15 HA CYS 15 0.619 -0.390 4.948
83 HB2 CYS 15 1HB CYS 15 0.556 -0.093 7.444
84 HB3 CYS 15 2HB CYS 15 1.872 -1.257 7.559
85 H SER 16 H SER 16 2.004 -0.764 3.362
86 HA SER 16 HA SER 16 3.539 -3.214 3.288
87 HB2 SER 16 1HB SER 16 2.364 -2.202 1.281
88 HB3 SER 16 2HB SER 16 3.609 -0.953 1.283
89 HG SER 16 HG SER 16 4.154 -3.734 1.149
90 H GLU 17 H GLU 17 4.260 -1.397 5.369
91 HA GLU 17 HA GLU 17 7.028 -0.808 4.558
92 HB2 GLU 17 1HB GLU 17 5.211 0.873 6.288
93 HB3 GLU 17 2HB GLU 17 6.951 1.107 6.198
94 HG2 GLU 17 1HG GLU 17 5.408 1.085 3.663
95 HG3 GLU 17 2HG GLU 17 5.282 2.497 4.711
96 H CYS 18 H CYS 18 4.854 -1.386 7.309
97 HA CYS 18 HA CYS 18 7.098 -2.712 8.686
98 HB2 CYS 18 1HB CYS 18 5.922 -2.124 10.815
99 HB3 CYS 18 2HB CYS 18 6.504 -0.728 9.913
100 H GLY 19 H GLY 19 3.555 -2.677 8.338
101 HA2 GLY 19 1HA GLY 19 2.616 -4.891 7.641
102 HA3 GLY 19 2HA GLY 19 3.580 -5.570 8.944
103 H LYS 20 H LYS 20 1.190 -2.959 8.492
104 HA LYS 20 HA LYS 20 -0.170 -3.938 10.915
105 HB2 LYS 20 1HB LYS 20 1.114 -1.697 11.077
106 HB3 LYS 20 2HB LYS 20 -0.192 -1.046 10.095
107 HG2 LYS 20 1HG LYS 20 -1.792 -1.439 11.762
108 HG3 LYS 20 2HG LYS 20 -0.718 -2.519 12.655
109 HD2 LYS 20 1HD LYS 20 0.772 -0.582 13.099
110 HD3 LYS 20 2HD LYS 20 -0.415 0.465 12.317
111 HE2 LYS 20 1HE LYS 20 -0.951 0.679 14.561
112 HE3 LYS 20 2HE LYS 20 -2.078 -0.561 14.014
113 HZ1 LYS 20 3HZ LYS 20 -0.066 -0.734 16.000
114 HZ2 LYS 20 1HZ LYS 20 0.201 -1.900 14.804
115 HZ3 LYS 20 2HZ LYS 20 -1.282 -1.845 15.615
116 H ALA 21 H ALA 21 -2.293 -4.331 10.729
117 HA ALA 21 HA ALA 21 -3.540 -3.899 8.135
118 HB1 ALA 21 3HB ALA 21 -5.232 -5.433 8.861
119 HB2 ALA 21 1HB ALA 21 -3.656 -6.105 9.280
120 HB3 ALA 21 2HB ALA 21 -4.656 -5.356 10.526
121 H PHE 22 H PHE 22 -5.334 -2.657 7.766
122 HA PHE 22 HA PHE 22 -6.435 -1.142 10.028
123 HB2 PHE 22 1HB PHE 22 -5.580 0.033 7.374
124 HB3 PHE 22 2HB PHE 22 -6.453 0.904 8.631
125 HD1 PHE 22 HD1 PHE 22 -5.345 1.287 10.841
126 HD2 PHE 22 HD2 PHE 22 -3.246 -0.212 7.455
127 HE1 PHE 22 HE1 PHE 22 -3.209 1.914 11.891
128 HE2 PHE 22 HE2 PHE 22 -1.108 0.411 8.500
129 HZ PHE 22 HZ PHE 22 -1.087 1.475 10.721
130 H ILE 23 H ILE 23 -8.602 -0.801 9.967
131 HA ILE 23 HA ILE 23 -10.209 -2.416 8.333
132 HB ILE 23 HB ILE 23 -11.035 -1.706 10.473
133 HG12 ILE 23 1HG1 ILE 23 -13.243 -0.619 9.739
134 HG13 ILE 23 2HG1 ILE 23 -12.578 -0.646 8.110
135 HG21 ILE 23 1HG2 ILE 23 -10.682 1.059 9.364
136 HG22 ILE 23 2HG2 ILE 23 -11.761 0.736 10.721
137 HG23 ILE 23 3HG2 ILE 23 -10.040 0.375 10.858
138 HD11 ILE 23 3HD1 ILE 23 -13.728 -2.600 8.091
139 HD12 ILE 23 1HD1 ILE 23 -12.181 -3.186 8.702
140 HD13 ILE 23 2HD1 ILE 23 -13.511 -2.877 9.819
141 H GLN 24 H GLN 24 -9.172 0.918 8.013
142 HA GLN 24 HA GLN 24 -10.575 1.047 5.425
143 HB2 GLN 24 1HB GLN 24 -9.956 3.275 7.368
144 HB3 GLN 24 2HB GLN 24 -10.561 3.533 5.738
145 HG2 GLN 24 1HG GLN 24 -11.973 2.065 7.954
146 HG3 GLN 24 2HG GLN 24 -12.358 3.675 7.347
147 HE21 GLN 24 1HE2 GLN 24 -13.746 0.945 7.437
148 HE22 GLN 24 2HE2 GLN 24 -14.367 0.759 5.836
149 H LYS 25 H LYS 25 -9.512 2.640 3.889
150 HA LYS 25 HA LYS 25 -6.731 1.909 3.646
151 HB2 LYS 25 1HB LYS 25 -8.172 1.913 1.671
152 HB3 LYS 25 2HB LYS 25 -8.493 3.629 1.889
153 HG2 LYS 25 1HG LYS 25 -6.420 4.254 1.139
154 HG3 LYS 25 2HG LYS 25 -5.674 2.719 1.588
155 HD2 LYS 25 1HD LYS 25 -6.875 1.614 -0.248
156 HD3 LYS 25 2HD LYS 25 -7.590 3.162 -0.703
157 HE2 LYS 25 1HE LYS 25 -5.471 4.055 -1.304
158 HE3 LYS 25 2HE LYS 25 -4.619 2.694 -0.578
159 HZ1 LYS 25 3HZ LYS 25 -6.207 1.477 -2.373
160 HZ2 LYS 25 1HZ LYS 25 -4.597 1.910 -2.657
161 HZ3 LYS 25 2HZ LYS 25 -5.849 2.920 -3.178
162 H SER 26 H SER 26 -8.537 4.975 3.834
163 HA SER 26 HA SER 26 -6.403 6.730 3.835
164 HB2 SER 26 1HB SER 26 -8.794 7.400 3.733
165 HB3 SER 26 2HB SER 26 -8.949 7.023 5.448
166 HG SER 26 HG SER 26 -7.465 8.652 5.901
167 H THR 27 H THR 27 -7.865 5.028 6.576
168 HA THR 27 HA THR 27 -6.539 6.172 8.688
169 HB THR 27 HB THR 27 -7.044 3.204 8.420
170 HG1 THR 27 HG1 THR 27 -8.759 5.383 8.966
171 HG21 THR 27 3HG2 THR 27 -6.276 3.095 10.507
172 HG22 THR 27 1HG2 THR 27 -7.568 4.182 11.016
173 HG23 THR 27 2HG2 THR 27 -6.005 4.837 10.529
174 H LEU 28 H LEU 28 -5.351 3.677 6.482
175 HA LEU 28 HA LEU 28 -2.919 3.187 7.845
176 HB2 LEU 28 1HB LEU 28 -3.413 1.497 6.390
177 HB3 LEU 28 2HB LEU 28 -4.022 2.594 5.153
178 HG LEU 28 HG LEU 28 -1.634 3.240 4.697
179 HD11 LEU 28 1HD1 LEU 28 -0.794 2.407 6.908
180 HD12 LEU 28 2HD1 LEU 28 0.142 1.886 5.507
181 HD13 LEU 28 3HD1 LEU 28 -0.979 0.768 6.284
182 HD21 LEU 28 3HD2 LEU 28 -1.445 0.465 4.060
183 HD22 LEU 28 1HD2 LEU 28 -1.846 1.821 3.006
184 HD23 LEU 28 2HD2 LEU 28 -3.123 0.983 3.887
185 H SER 29 H SER 29 -3.711 5.226 5.041
186 HA SER 29 HA SER 29 -1.219 6.181 4.400
187 HB2 SER 29 1HB SER 29 -3.939 7.458 4.301
188 HB3 SER 29 2HB SER 29 -2.507 8.353 3.791
189 HG SER 29 HG SER 29 -2.863 7.374 1.961
190 H MET 30 H MET 30 -3.360 7.261 6.990
191 HA MET 30 HA MET 30 -1.836 9.501 7.783
192 HB2 MET 30 1HB MET 30 -3.620 7.815 9.543
193 HB3 MET 30 2HB MET 30 -3.165 9.496 9.793
194 HG2 MET 30 1HG MET 30 -4.308 9.842 7.470
195 HG3 MET 30 2HG MET 30 -5.107 8.323 7.866
196 HE1 MET 30 3HE MET 30 -7.547 9.898 7.704
197 HE2 MET 30 1HE MET 30 -7.290 8.383 8.571
198 HE3 MET 30 2HE MET 30 -8.149 9.711 9.351
199 H HIS 31 H HIS 31 -1.605 6.092 8.496
200 HA HIS 31 HA HIS 31 0.232 6.431 10.686
201 HB2 HIS 31 1HB HIS 31 -0.919 4.456 10.951
202 HB3 HIS 31 2HB HIS 31 -0.953 4.118 9.223
203 HD1 HIS 31 HD1 HIS 31 0.977 3.466 12.302
204 HD2 HIS 31 HD2 HIS 31 1.436 2.921 8.209
205 HE1 HIS 31 HE1 HIS 31 2.895 1.859 12.048
206 H GLN 32 H GLN 32 0.491 5.247 7.339
207 HA GLN 32 HA GLN 32 3.109 4.595 7.148
208 HB2 GLN 32 1HB GLN 32 1.271 5.978 5.234
209 HB3 GLN 32 2HB GLN 32 2.960 5.753 4.797
210 HG2 GLN 32 1HG GLN 32 2.490 3.272 5.482
211 HG3 GLN 32 2HG GLN 32 0.814 3.729 5.182
212 HE21 GLN 32 1HE2 GLN 32 0.185 3.123 3.250
213 HE22 GLN 32 2HE2 GLN 32 1.130 3.168 1.805
214 H ARG 33 H ARG 33 1.830 7.744 7.742
215 HA ARG 33 HA ARG 33 3.807 9.442 6.867
216 HB2 ARG 33 1HB ARG 33 3.021 11.019 8.428
217 HB3 ARG 33 2HB ARG 33 1.627 10.006 8.075
218 HG2 ARG 33 1HG ARG 33 1.966 8.778 10.141
219 HG3 ARG 33 2HG ARG 33 3.407 9.736 10.488
220 HD2 ARG 33 1HD ARG 33 1.758 11.752 10.229
221 HD3 ARG 33 2HD ARG 33 0.531 10.530 10.559
222 HE ARG 33 HE ARG 33 1.225 10.469 12.742
223 HH11 ARG 33 1HH1 ARG 33 3.619 12.108 10.820
224 HH12 ARG 33 2HH1 ARG 33 4.546 12.633 12.187
225 HH21 ARG 33 1HH2 ARG 33 2.436 11.153 14.549
226 HH22 ARG 33 2HH2 ARG 33 3.873 12.088 14.307
227 H ILE 34 H ILE 34 3.769 7.470 9.801
228 HA ILE 34 HA ILE 34 6.073 8.474 11.017
229 HB ILE 34 HB ILE 34 6.176 6.423 12.278
230 HG12 ILE 34 1HG1 ILE 34 3.998 5.174 10.653
231 HG13 ILE 34 2HG1 ILE 34 5.657 5.066 10.074
232 HG21 ILE 34 1HG2 ILE 34 3.742 7.922 11.896
233 HG22 ILE 34 2HG2 ILE 34 3.399 6.278 12.431
234 HG23 ILE 34 3HG2 ILE 34 4.464 7.311 13.384
235 HD11 ILE 34 3HD1 ILE 34 5.783 4.349 12.759
236 HD12 ILE 34 1HD1 ILE 34 4.330 3.567 12.136
237 HD13 ILE 34 2HD1 ILE 34 5.888 3.282 11.359
238 H HIS 35 H HIS 35 5.688 6.391 8.279
239 HA HIS 35 HA HIS 35 8.411 5.424 8.331
240 HB2 HIS 35 1HB HIS 35 6.170 5.156 6.327
241 HB3 HIS 35 2HB HIS 35 7.779 4.495 6.055
242 HD1 HIS 35 HD1 HIS 35 8.444 3.150 8.631
243 HD2 HIS 35 HD2 HIS 35 4.623 3.051 7.002
244 HE1 HIS 35 HE1 HIS 35 7.336 1.129 9.638
245 H ARG 36 H ARG 36 6.553 7.902 6.674
246 HA ARG 36 HA ARG 36 8.983 8.742 5.244
247 HB2 ARG 36 1HB ARG 36 7.351 10.124 3.877
248 HB3 ARG 36 2HB ARG 36 7.239 8.380 3.685
249 HG2 ARG 36 1HG ARG 36 5.344 8.377 5.285
250 HG3 ARG 36 2HG ARG 36 5.419 10.140 5.311
251 HD2 ARG 36 1HD ARG 36 5.165 8.653 2.724
252 HD3 ARG 36 2HD ARG 36 3.746 8.973 3.720
253 HE ARG 36 HE ARG 36 5.387 11.280 3.122
254 HH11 ARG 36 1HH1 ARG 36 2.654 9.328 2.207
255 HH12 ARG 36 2HH1 ARG 36 1.899 10.586 1.284
256 HH21 ARG 36 1HH2 ARG 36 4.403 12.944 1.911
257 HH22 ARG 36 2HH2 ARG 36 2.896 12.642 1.116
258 H GLY 37 H GLY 37 9.987 9.932 6.851
259 HA2 GLY 37 1HA GLY 37 8.651 12.473 7.497
260 HA3 GLY 37 2HA GLY 37 9.367 11.522 8.789
261 H GLU 38 H GLU 38 10.781 13.231 9.312
262 HA GLU 38 HA GLU 38 12.426 14.683 7.694
263 HB2 GLU 38 1HB GLU 38 13.142 13.483 10.375
264 HB3 GLU 38 2HB GLU 38 14.011 14.796 9.593
265 HG2 GLU 38 1HG GLU 38 11.242 14.810 10.739
266 HG3 GLU 38 2HG GLU 38 12.622 15.818 11.174
267 H LYS 39 H LYS 39 14.699 14.484 7.148
268 HA LYS 39 HA LYS 39 15.333 11.763 6.282
269 HB2 LYS 39 1HB LYS 39 16.507 14.434 5.489
270 HB3 LYS 39 2HB LYS 39 17.038 12.884 4.849
271 HG2 LYS 39 1HG LYS 39 15.179 12.620 3.559
272 HG3 LYS 39 2HG LYS 39 14.154 13.560 4.646
273 HD2 LYS 39 1HD LYS 39 15.561 15.576 3.909
274 HD3 LYS 39 2HD LYS 39 16.116 14.539 2.593
275 HE2 LYS 39 1HE LYS 39 14.284 15.775 1.746
276 HE3 LYS 39 2HE LYS 39 13.688 14.143 2.041
277 HZ1 LYS 39 3HZ LYS 39 12.506 16.399 2.917
278 HZ2 LYS 39 1HZ LYS 39 13.385 15.927 4.283
279 HZ3 LYS 39 2HZ LYS 39 12.268 14.864 3.587
280 HA PRO 40 HA PRO 40 18.468 11.229 9.326
281 HB2 PRO 40 1HB PRO 40 20.002 9.388 8.050
282 HB3 PRO 40 2HB PRO 40 18.429 9.002 8.759
283 HG2 PRO 40 1HG PRO 40 19.130 9.581 5.907
284 HG3 PRO 40 2HG PRO 40 18.060 8.329 6.564
285 HD2 PRO 40 1HD PRO 40 17.122 10.636 5.500
286 HD3 PRO 40 2HD PRO 40 16.301 9.795 6.831
287 H SER 41 H SER 41 19.148 12.336 6.127
288 HA SER 41 HA SER 41 21.831 13.210 6.979
289 HB2 SER 41 1HB SER 41 20.744 12.524 4.249
290 HB3 SER 41 2HB SER 41 22.237 13.438 4.462
291 HG SER 41 HG SER 41 23.228 11.687 5.137
292 H GLY 42 H GLY 42 20.982 15.083 8.006
293 HA2 GLY 42 1HA GLY 42 21.019 17.407 6.473
294 HA3 GLY 42 2HA GLY 42 19.330 16.969 6.687
295 HA PRO 43 HA PRO 43 19.267 18.996 10.570
296 HB2 PRO 43 1HB PRO 43 17.508 17.465 11.960
297 HB3 PRO 43 2HB PRO 43 17.016 18.541 10.647
298 HG2 PRO 43 1HG PRO 43 17.479 15.584 10.599
299 HG3 PRO 43 2HG PRO 43 16.172 16.524 9.855
300 HD2 PRO 43 1HD PRO 43 18.303 15.624 8.448
301 HD3 PRO 43 2HD PRO 43 17.472 17.144 8.056
302 H SER 44 H SER 44 19.263 18.408 13.047
303 HA SER 44 HA SER 44 21.715 17.009 13.528
304 HB2 SER 44 1HB SER 44 20.759 19.084 14.767
305 HB3 SER 44 2HB SER 44 19.840 17.905 15.702
306 HG SER 44 HG SER 44 21.834 16.925 16.264
307 H SER 45 H SER 45 22.009 15.206 14.930
308 HA SER 45 HA SER 45 19.900 13.231 14.645
309 HB2 SER 45 1HB SER 45 22.485 12.915 14.278
310 HB3 SER 45 2HB SER 45 22.500 12.666 16.023
311 HG SER 45 HG SER 45 21.165 10.923 15.785
312 H GLY 46 H GLY 46 18.665 12.424 16.249
313 HA2 GLY 46 1HA GLY 46 18.984 11.987 18.833
314 HA3 GLY 46 2HA GLY 46 18.855 13.740 18.852
Start of MODEL 10
1 H1 GLY 1 H GLY 1 3.849 -30.116 -7.777
2 HA2 GLY 1 1HA GLY 1 3.324 -30.287 -5.291
3 HA3 GLY 1 2HA GLY 1 5.070 -30.336 -5.100
4 H SER 2 H SER 2 2.517 -28.374 -4.780
5 HA SER 2 HA SER 2 4.146 -26.006 -4.770
6 HB2 SER 2 1HB SER 2 1.823 -26.190 -6.704
7 HB3 SER 2 2HB SER 2 2.707 -24.714 -6.317
8 HG SER 2 HG SER 2 3.308 -26.542 -8.132
9 H SER 3 H SER 3 2.928 -24.106 -3.956
10 HA SER 3 HA SER 3 0.761 -24.983 -2.164
11 HB2 SER 3 1HB SER 3 2.601 -24.304 -0.826
12 HB3 SER 3 2HB SER 3 2.904 -22.884 -1.828
13 HG SER 3 HG SER 3 1.789 -21.998 -0.240
14 H GLY 4 H GLY 4 -1.171 -23.992 -2.249
15 HA2 GLY 4 1HA GLY 4 -1.421 -21.712 -4.107
16 HA3 GLY 4 2HA GLY 4 -2.681 -22.903 -3.822
17 H SER 5 H SER 5 -4.256 -21.470 -3.192
18 HA SER 5 HA SER 5 -4.120 -20.582 -0.461
19 HB2 SER 5 1HB SER 5 -3.009 -18.738 -1.838
20 HB3 SER 5 2HB SER 5 -4.602 -18.442 -2.535
21 HG SER 5 HG SER 5 -4.342 -18.556 0.252
22 H SER 6 H SER 6 -6.221 -19.278 0.047
23 HA SER 6 HA SER 6 -8.444 -20.478 -1.471
24 HB2 SER 6 1HB SER 6 -7.980 -20.326 1.489
25 HB3 SER 6 2HB SER 6 -9.629 -20.348 0.864
26 HG SER 6 HG SER 6 -8.384 -22.435 1.367
27 H GLY 7 H GLY 7 -10.575 -19.320 -0.963
28 HA2 GLY 7 1HA GLY 7 -10.115 -16.478 -1.403
29 HA3 GLY 7 2HA GLY 7 -11.636 -17.333 -1.614
30 H THR 8 H THR 8 -9.412 -16.047 0.813
31 HA THR 8 HA THR 8 -11.565 -16.089 2.801
32 HB THR 8 HB THR 8 -9.748 -15.386 4.400
33 HG1 THR 8 HG1 THR 8 -7.576 -16.024 3.381
34 HG21 THR 8 3HG2 THR 8 -8.652 -17.625 4.429
35 HG22 THR 8 1HG2 THR 8 -9.418 -17.973 2.880
36 HG23 THR 8 2HG2 THR 8 -10.410 -17.698 4.312
37 H GLY 9 H GLY 9 -12.479 -14.271 3.618
38 HA2 GLY 9 1HA GLY 9 -12.344 -11.872 2.139
39 HA3 GLY 9 2HA GLY 9 -13.140 -12.074 3.693
40 H GLU 10 H GLU 10 -12.434 -10.648 5.122
41 HA GLU 10 HA GLU 10 -11.086 -9.210 6.264
42 HB2 GLU 10 1HB GLU 10 -9.114 -11.418 5.666
43 HB3 GLU 10 2HB GLU 10 -8.771 -10.075 6.747
44 HG2 GLU 10 1HG GLU 10 -11.203 -11.726 7.215
45 HG3 GLU 10 2HG GLU 10 -9.625 -12.360 7.676
46 H ARG 11 H ARG 11 -11.429 -8.612 3.530
47 HA ARG 11 HA ARG 11 -8.940 -7.963 2.299
48 HB2 ARG 11 1HB ARG 11 -11.731 -6.937 1.744
49 HB3 ARG 11 2HB ARG 11 -10.331 -6.660 0.716
50 HG2 ARG 11 1HG ARG 11 -10.247 -8.860 0.012
51 HG3 ARG 11 2HG ARG 11 -11.161 -9.446 1.403
52 HD2 ARG 11 1HD ARG 11 -12.258 -7.765 -0.849
53 HD3 ARG 11 2HD ARG 11 -12.492 -9.501 -0.655
54 HE ARG 11 HE ARG 11 -13.359 -7.968 1.613
55 HH11 ARG 11 1HH1 ARG 11 -14.257 -9.189 -1.521
56 HH12 ARG 11 2HH1 ARG 11 -15.957 -9.157 -1.191
57 HH21 ARG 11 1HH2 ARG 11 -15.595 -7.921 2.060
58 HH22 ARG 11 2HH2 ARG 11 -16.717 -8.435 0.846
59 H HIS 12 H HIS 12 -7.893 -6.858 4.070
60 HA HIS 12 HA HIS 12 -8.818 -4.081 4.407
61 HB2 HIS 12 1HB HIS 12 -7.643 -4.065 6.559
62 HB3 HIS 12 2HB HIS 12 -8.848 -5.348 6.508
63 HD1 HIS 12 HD1 HIS 12 -8.046 -7.683 6.943
64 HD2 HIS 12 HD2 HIS 12 -4.923 -5.024 6.282
65 HE1 HIS 12 HE1 HIS 12 -5.949 -8.965 7.472
66 H TYR 13 H TYR 13 -7.038 -2.500 4.809
67 HA TYR 13 HA TYR 13 -4.940 -2.929 2.839
68 HB2 TYR 13 1HB TYR 13 -5.937 -0.502 4.319
69 HB3 TYR 13 2HB TYR 13 -4.461 -0.463 3.362
70 HD1 TYR 13 HD2 TYR 13 -8.086 -1.292 3.107
71 HD2 TYR 13 HD1 TYR 13 -4.572 -0.001 1.083
72 HE1 TYR 13 HE2 TYR 13 -9.416 -0.859 1.084
73 HE2 TYR 13 HE1 TYR 13 -5.893 0.436 -0.945
74 HH TYR 13 HH TYR 13 -8.850 0.942 -1.139
75 H GLU 14 H GLU 14 -2.976 -3.582 3.380
76 HA GLU 14 HA GLU 14 -2.124 -3.343 6.179
77 HB2 GLU 14 1HB GLU 14 -1.003 -5.072 3.967
78 HB3 GLU 14 2HB GLU 14 -0.484 -5.086 5.646
79 HG2 GLU 14 1HG GLU 14 -1.884 -6.884 5.625
80 HG3 GLU 14 2HG GLU 14 -3.005 -5.611 6.105
81 H CYS 15 H CYS 15 -0.105 -2.507 6.732
82 HA CYS 15 HA CYS 15 0.862 -0.447 4.970
83 HB2 CYS 15 1HB CYS 15 0.669 -0.108 7.418
84 HB3 CYS 15 2HB CYS 15 1.917 -1.325 7.666
85 H SER 16 H SER 16 2.441 -0.644 3.536
86 HA SER 16 HA SER 16 4.007 -3.079 3.439
87 HB2 SER 16 1HB SER 16 3.054 -2.141 1.368
88 HB3 SER 16 2HB SER 16 4.012 -0.678 1.592
89 HG SER 16 HG SER 16 5.500 -1.706 0.537
90 H GLU 17 H GLU 17 4.479 -1.244 5.643
91 HA GLU 17 HA GLU 17 7.312 -0.634 5.118
92 HB2 GLU 17 1HB GLU 17 5.421 0.937 6.877
93 HB3 GLU 17 2HB GLU 17 7.136 1.264 6.669
94 HG2 GLU 17 1HG GLU 17 5.424 1.194 4.247
95 HG3 GLU 17 2HG GLU 17 5.290 2.581 5.326
96 H CYS 18 H CYS 18 4.933 -1.242 7.696
97 HA CYS 18 HA CYS 18 7.064 -2.583 9.227
98 HB2 CYS 18 1HB CYS 18 5.547 -2.177 11.213
99 HB3 CYS 18 2HB CYS 18 6.261 -0.735 10.497
100 H GLY 19 H GLY 19 3.564 -2.716 8.562
101 HA2 GLY 19 1HA GLY 19 2.913 -4.995 7.639
102 HA3 GLY 19 2HA GLY 19 3.674 -5.617 9.096
103 H LYS 20 H LYS 20 1.838 -2.655 9.125
104 HA LYS 20 HA LYS 20 0.038 -3.765 11.089
105 HB2 LYS 20 1HB LYS 20 1.075 -1.329 10.869
106 HB3 LYS 20 2HB LYS 20 -0.382 -1.052 9.923
107 HG2 LYS 20 1HG LYS 20 -0.996 -0.408 12.060
108 HG3 LYS 20 2HG LYS 20 -1.627 -2.052 11.939
109 HD2 LYS 20 1HD LYS 20 1.125 -1.692 13.001
110 HD3 LYS 20 2HD LYS 20 -0.227 -1.233 14.039
111 HE2 LYS 20 1HE LYS 20 -1.145 -3.591 13.286
112 HE3 LYS 20 2HE LYS 20 0.567 -3.912 13.011
113 HZ1 LYS 20 3HZ LYS 20 0.355 -2.685 15.494
114 HZ2 LYS 20 1HZ LYS 20 0.768 -4.293 15.168
115 HZ3 LYS 20 2HZ LYS 20 -0.847 -3.874 15.446
116 H ALA 21 H ALA 21 -2.309 -3.539 10.921
117 HA ALA 21 HA ALA 21 -3.293 -3.682 8.150
118 HB1 ALA 21 3HB ALA 21 -3.432 -5.718 10.246
119 HB2 ALA 21 1HB ALA 21 -4.978 -5.372 9.471
120 HB3 ALA 21 2HB ALA 21 -3.595 -5.873 8.497
121 H PHE 22 H PHE 22 -4.847 -2.254 7.773
122 HA PHE 22 HA PHE 22 -6.560 -1.408 10.014
123 HB2 PHE 22 1HB PHE 22 -5.805 0.436 7.760
124 HB3 PHE 22 2HB PHE 22 -6.472 0.845 9.337
125 HD1 PHE 22 HD2 PHE 22 -3.442 -0.224 7.546
126 HD2 PHE 22 HD1 PHE 22 -5.070 1.150 11.231
127 HE1 PHE 22 HE2 PHE 22 -1.169 0.179 8.397
128 HE2 PHE 22 HE1 PHE 22 -2.800 1.557 12.087
129 HZ PHE 22 HZ PHE 22 -0.845 1.070 10.670
130 H ILE 23 H ILE 23 -8.721 -0.995 9.550
131 HA ILE 23 HA ILE 23 -9.769 -2.432 7.289
132 HB ILE 23 HB ILE 23 -10.912 -2.567 9.437
133 HG12 ILE 23 1HG1 ILE 23 -13.230 -1.687 8.575
134 HG13 ILE 23 2HG1 ILE 23 -12.339 -1.364 7.092
135 HG21 ILE 23 1HG2 ILE 23 -11.627 -0.803 10.668
136 HG22 ILE 23 2HG2 ILE 23 -10.324 0.011 9.803
137 HG23 ILE 23 3HG2 ILE 23 -11.990 0.181 9.250
138 HD11 ILE 23 3HD1 ILE 23 -11.651 -3.967 7.826
139 HD12 ILE 23 1HD1 ILE 23 -13.390 -3.837 8.089
140 HD13 ILE 23 2HD1 ILE 23 -12.707 -3.462 6.507
141 H GLN 24 H GLN 24 -9.380 0.926 8.228
142 HA GLN 24 HA GLN 24 -10.735 1.790 5.773
143 HB2 GLN 24 1HB GLN 24 -9.998 3.203 8.323
144 HB3 GLN 24 2HB GLN 24 -10.411 4.103 6.870
145 HG2 GLN 24 1HG GLN 24 -12.595 3.044 6.809
146 HG3 GLN 24 2HG GLN 24 -12.184 2.090 8.234
147 HE21 GLN 24 1HE2 GLN 24 -12.449 2.954 10.208
148 HE22 GLN 24 2HE2 GLN 24 -13.000 4.563 10.509
149 H LYS 25 H LYS 25 -9.571 2.328 4.059
150 HA LYS 25 HA LYS 25 -6.844 2.145 3.823
151 HB2 LYS 25 1HB LYS 25 -8.778 2.529 2.052
152 HB3 LYS 25 2HB LYS 25 -8.245 4.201 2.173
153 HG2 LYS 25 1HG LYS 25 -6.288 1.995 1.655
154 HG3 LYS 25 2HG LYS 25 -7.230 2.712 0.345
155 HD2 LYS 25 1HD LYS 25 -6.270 4.837 0.681
156 HD3 LYS 25 2HD LYS 25 -5.623 4.384 2.259
157 HE2 LYS 25 1HE LYS 25 -3.797 4.403 0.739
158 HE3 LYS 25 2HE LYS 25 -4.173 2.712 1.070
159 HZ1 LYS 25 3HZ LYS 25 -5.664 3.603 -1.153
160 HZ2 LYS 25 1HZ LYS 25 -4.508 2.370 -1.077
161 HZ3 LYS 25 2HZ LYS 25 -4.030 3.960 -1.402
162 H SER 26 H SER 26 -8.681 5.187 4.148
163 HA SER 26 HA SER 26 -6.625 6.985 4.241
164 HB2 SER 26 1HB SER 26 -9.175 7.376 4.428
165 HB3 SER 26 2HB SER 26 -8.928 7.220 6.166
166 HG SER 26 HG SER 26 -8.500 9.343 4.626
167 H THR 27 H THR 27 -7.875 5.041 6.927
168 HA THR 27 HA THR 27 -6.385 6.100 9.007
169 HB THR 27 HB THR 27 -7.146 3.199 8.610
170 HG1 THR 27 HG1 THR 27 -8.843 4.045 10.190
171 HG21 THR 27 3HG2 THR 27 -5.425 4.137 10.478
172 HG22 THR 27 1HG2 THR 27 -6.490 2.754 10.727
173 HG23 THR 27 2HG2 THR 27 -6.961 4.348 11.317
174 H LEU 28 H LEU 28 -5.443 3.775 6.541
175 HA LEU 28 HA LEU 28 -2.931 3.127 7.742
176 HB2 LEU 28 1HB LEU 28 -3.649 1.459 6.339
177 HB3 LEU 28 2HB LEU 28 -4.261 2.590 5.134
178 HG LEU 28 HG LEU 28 -1.891 3.086 4.510
179 HD11 LEU 28 1HD1 LEU 28 -0.127 1.664 5.249
180 HD12 LEU 28 2HD1 LEU 28 -1.247 0.648 6.157
181 HD13 LEU 28 3HD1 LEU 28 -0.934 2.302 6.682
182 HD21 LEU 28 3HD2 LEU 28 -3.482 1.308 3.473
183 HD22 LEU 28 1HD2 LEU 28 -2.371 0.152 4.209
184 HD23 LEU 28 2HD2 LEU 28 -1.774 1.319 3.029
185 H SER 29 H SER 29 -3.847 5.088 4.911
186 HA SER 29 HA SER 29 -1.368 6.000 4.156
187 HB2 SER 29 1HB SER 29 -3.756 6.462 3.172
188 HB3 SER 29 2HB SER 29 -3.676 7.915 4.169
189 HG SER 29 HG SER 29 -2.745 8.591 2.359
190 H MET 30 H MET 30 -3.472 7.273 6.698
191 HA MET 30 HA MET 30 -1.809 9.485 7.347
192 HB2 MET 30 1HB MET 30 -3.235 9.806 9.236
193 HB3 MET 30 2HB MET 30 -4.251 9.284 7.900
194 HG2 MET 30 1HG MET 30 -4.627 7.202 8.824
195 HG3 MET 30 2HG MET 30 -3.191 7.282 9.841
196 HE1 MET 30 3HE MET 30 -7.159 7.449 10.423
197 HE2 MET 30 1HE MET 30 -7.244 9.211 10.412
198 HE3 MET 30 2HE MET 30 -6.586 8.352 9.019
199 H HIS 31 H HIS 31 -1.652 6.141 8.043
200 HA HIS 31 HA HIS 31 -0.005 6.474 10.413
201 HB2 HIS 31 1HB HIS 31 -1.310 4.583 10.670
202 HB3 HIS 31 2HB HIS 31 -1.206 4.150 8.966
203 HD1 HIS 31 HD1 HIS 31 0.240 3.405 12.229
204 HD2 HIS 31 HD2 HIS 31 1.368 2.975 8.254
205 HE1 HIS 31 HE1 HIS 31 2.132 1.748 12.242
206 H GLN 32 H GLN 32 0.365 5.135 7.135
207 HA GLN 32 HA GLN 32 2.952 4.337 7.123
208 HB2 GLN 32 1HB GLN 32 1.318 5.742 5.040
209 HB3 GLN 32 2HB GLN 32 3.002 5.351 4.718
210 HG2 GLN 32 1HG GLN 32 2.419 2.967 5.347
211 HG3 GLN 32 2HG GLN 32 0.731 3.471 5.268
212 HE21 GLN 32 1HE2 GLN 32 3.295 2.228 3.553
213 HE22 GLN 32 2HE2 GLN 32 2.700 2.485 1.952
214 H ARG 33 H ARG 33 1.814 7.568 7.511
215 HA ARG 33 HA ARG 33 3.935 9.111 6.670
216 HB2 ARG 33 1HB ARG 33 3.133 10.815 8.077
217 HB3 ARG 33 2HB ARG 33 1.712 9.852 7.695
218 HG2 ARG 33 1HG ARG 33 1.787 8.782 9.839
219 HG3 ARG 33 2HG ARG 33 3.323 9.563 10.220
220 HD2 ARG 33 1HD ARG 33 0.727 11.010 9.709
221 HD3 ARG 33 2HD ARG 33 1.378 10.643 11.306
222 HE ARG 33 HE ARG 33 3.170 12.121 9.598
223 HH11 ARG 33 1HH1 ARG 33 0.617 12.308 11.958
224 HH12 ARG 33 2HH1 ARG 33 1.026 13.915 12.464
225 HH21 ARG 33 1HH2 ARG 33 3.717 14.236 10.254
226 HH22 ARG 33 2HH2 ARG 33 2.788 15.010 11.493
227 H ILE 34 H ILE 34 3.577 7.355 9.721
228 HA ILE 34 HA ILE 34 5.790 8.279 11.090
229 HB ILE 34 HB ILE 34 5.782 6.215 12.341
230 HG12 ILE 34 1HG1 ILE 34 3.721 4.986 10.565
231 HG13 ILE 34 2HG1 ILE 34 5.408 4.893 10.071
232 HG21 ILE 34 1HG2 ILE 34 3.222 6.031 12.717
233 HG22 ILE 34 2HG2 ILE 34 4.041 7.551 13.069
234 HG23 ILE 34 3HG2 ILE 34 3.134 7.366 11.568
235 HD11 ILE 34 3HD1 ILE 34 5.298 4.153 12.788
236 HD12 ILE 34 1HD1 ILE 34 4.002 3.296 11.955
237 HD13 ILE 34 2HD1 ILE 34 5.666 3.143 11.390
238 H HIS 35 H HIS 35 5.684 6.397 8.234
239 HA HIS 35 HA HIS 35 8.463 5.524 8.548
240 HB2 HIS 35 1HB HIS 35 6.433 4.834 6.412
241 HB3 HIS 35 2HB HIS 35 8.054 4.157 6.539
242 HD1 HIS 35 HD1 HIS 35 8.437 2.956 9.055
243 HD2 HIS 35 HD2 HIS 35 4.580 3.235 7.537
244 HE1 HIS 35 HE1 HIS 35 7.097 1.233 10.304
245 H ARG 36 H ARG 36 6.409 7.615 6.624
246 HA ARG 36 HA ARG 36 8.369 8.254 4.660
247 HB2 ARG 36 1HB ARG 36 5.775 9.531 5.500
248 HB3 ARG 36 2HB ARG 36 6.804 10.257 4.273
249 HG2 ARG 36 1HG ARG 36 5.337 9.042 2.993
250 HG3 ARG 36 2HG ARG 36 6.677 7.907 3.164
251 HD2 ARG 36 1HD ARG 36 5.533 6.672 4.833
252 HD3 ARG 36 2HD ARG 36 4.305 7.924 5.014
253 HE ARG 36 HE ARG 36 4.395 5.854 3.017
254 HH11 ARG 36 1HH1 ARG 36 3.162 9.005 3.836
255 HH12 ARG 36 2HH1 ARG 36 1.816 8.904 2.751
256 HH21 ARG 36 1HH2 ARG 36 2.626 5.709 1.585
257 HH22 ARG 36 2HH2 ARG 36 1.511 7.028 1.471
258 H GLY 37 H GLY 37 7.296 9.803 7.663
259 HA2 GLY 37 1HA GLY 37 8.476 11.208 9.070
260 HA3 GLY 37 2HA GLY 37 9.860 11.055 7.998
261 H GLU 38 H GLU 38 9.396 13.471 9.090
262 HA GLU 38 HA GLU 38 7.981 15.044 7.058
263 HB2 GLU 38 1HB GLU 38 8.693 15.484 9.914
264 HB3 GLU 38 2HB GLU 38 8.616 16.896 8.870
265 HG2 GLU 38 1HG GLU 38 6.360 14.940 8.929
266 HG3 GLU 38 2HG GLU 38 6.517 16.168 10.184
267 H LYS 39 H LYS 39 9.763 14.602 5.548
268 HA LYS 39 HA LYS 39 11.691 16.752 5.633
269 HB2 LYS 39 1HB LYS 39 13.661 15.388 5.416
270 HB3 LYS 39 2HB LYS 39 12.807 14.902 6.874
271 HG2 LYS 39 1HG LYS 39 11.786 13.041 5.513
272 HG3 LYS 39 2HG LYS 39 12.937 13.460 4.242
273 HD2 LYS 39 1HD LYS 39 14.794 13.026 5.739
274 HD3 LYS 39 2HD LYS 39 13.678 12.703 7.068
275 HE2 LYS 39 1HE LYS 39 14.082 10.563 6.398
276 HE3 LYS 39 2HE LYS 39 12.719 10.936 5.344
277 HZ1 LYS 39 3HZ LYS 39 15.506 11.390 4.473
278 HZ2 LYS 39 1HZ LYS 39 14.115 11.233 3.523
279 HZ3 LYS 39 2HZ LYS 39 14.765 9.879 4.299
280 HA PRO 40 HA PRO 40 10.978 16.647 1.296
281 HB2 PRO 40 1HB PRO 40 13.226 17.889 0.419
282 HB3 PRO 40 2HB PRO 40 11.911 18.745 1.232
283 HG2 PRO 40 1HG PRO 40 14.510 17.767 2.349
284 HG3 PRO 40 2HG PRO 40 13.685 19.312 2.624
285 HD2 PRO 40 1HD PRO 40 13.582 17.270 4.399
286 HD3 PRO 40 2HD PRO 40 12.238 18.408 4.174
287 H SER 41 H SER 41 11.131 14.333 1.075
288 HA SER 41 HA SER 41 13.658 13.491 -0.179
289 HB2 SER 41 1HB SER 41 13.678 12.359 1.904
290 HB3 SER 41 2HB SER 41 11.958 11.982 1.805
291 HG SER 41 HG SER 41 14.114 10.829 0.403
292 H GLY 42 H GLY 42 13.490 12.088 -1.937
293 HA2 GLY 42 1HA GLY 42 12.391 10.815 -3.565
294 HA3 GLY 42 2HA GLY 42 10.855 11.222 -2.814
295 HA PRO 43 HA PRO 43 11.592 13.721 -6.748
296 HB2 PRO 43 1HB PRO 43 9.541 12.673 -8.185
297 HB3 PRO 43 2HB PRO 43 11.171 11.988 -8.197
298 HG2 PRO 43 1HG PRO 43 8.759 11.112 -6.654
299 HG3 PRO 43 2HG PRO 43 9.954 10.126 -7.518
300 HD2 PRO 43 1HD PRO 43 10.011 10.461 -4.832
301 HD3 PRO 43 2HD PRO 43 11.484 10.249 -5.799
302 H SER 44 H SER 44 10.722 15.686 -6.646
303 HA SER 44 HA SER 44 8.656 16.457 -4.986
304 HB2 SER 44 1HB SER 44 10.232 18.065 -5.917
305 HB3 SER 44 2HB SER 44 9.597 17.786 -7.539
306 HG SER 44 HG SER 44 7.657 18.461 -5.742
307 H SER 45 H SER 45 6.479 16.696 -5.162
308 HA SER 45 HA SER 45 5.235 15.743 -7.658
309 HB2 SER 45 1HB SER 45 5.035 14.134 -5.751
310 HB3 SER 45 2HB SER 45 4.141 15.366 -4.861
311 HG SER 45 HG SER 45 3.303 14.637 -7.439
312 H GLY 46 H GLY 46 4.654 17.687 -4.729
313 HA2 GLY 46 1HA GLY 46 3.657 19.753 -4.504
314 HA3 GLY 46 2HA GLY 46 3.636 19.878 -6.257
Start of MODEL 11
1 H1 GLY 1 H GLY 1 -3.056 -31.740 -2.839
2 HA2 GLY 1 1HA GLY 1 -2.469 -30.999 -0.424
3 HA3 GLY 1 2HA GLY 1 -1.691 -29.666 -1.264
4 H SER 2 H SER 2 -2.939 -28.065 -2.221
5 HA SER 2 HA SER 2 -5.845 -28.254 -1.911
6 HB2 SER 2 1HB SER 2 -4.148 -25.992 -0.831
7 HB3 SER 2 2HB SER 2 -5.908 -25.968 -0.928
8 HG SER 2 HG SER 2 -5.496 -26.679 1.086
9 H SER 3 H SER 3 -7.038 -26.876 -3.275
10 HA SER 3 HA SER 3 -5.460 -25.638 -5.436
11 HB2 SER 3 1HB SER 3 -6.481 -27.554 -6.396
12 HB3 SER 3 2HB SER 3 -8.011 -27.245 -5.575
13 HG SER 3 HG SER 3 -6.852 -25.742 -7.683
14 H GLY 4 H GLY 4 -5.996 -23.610 -6.073
15 HA2 GLY 4 1HA GLY 4 -7.457 -21.759 -6.337
16 HA3 GLY 4 2HA GLY 4 -8.488 -22.427 -5.081
17 H SER 5 H SER 5 -7.124 -19.749 -5.516
18 HA SER 5 HA SER 5 -5.705 -19.620 -2.936
19 HB2 SER 5 1HB SER 5 -4.365 -19.008 -4.968
20 HB3 SER 5 2HB SER 5 -5.478 -17.667 -5.236
21 HG SER 5 HG SER 5 -3.396 -17.403 -3.914
22 H SER 6 H SER 6 -6.005 -17.659 -1.674
23 HA SER 6 HA SER 6 -8.620 -17.079 -1.079
24 HB2 SER 6 1HB SER 6 -6.205 -15.290 -0.710
25 HB3 SER 6 2HB SER 6 -7.759 -15.061 0.091
26 HG SER 6 HG SER 6 -7.466 -16.990 1.170
27 H GLY 7 H GLY 7 -10.181 -15.811 -1.882
28 HA2 GLY 7 1HA GLY 7 -10.195 -14.817 -4.434
29 HA3 GLY 7 2HA GLY 7 -11.240 -14.213 -3.157
30 H THR 8 H THR 8 -9.692 -12.952 -5.466
31 HA THR 8 HA THR 8 -7.700 -11.280 -4.338
32 HB THR 8 HB THR 8 -9.346 -10.816 -6.833
33 HG1 THR 8 HG1 THR 8 -8.185 -12.401 -7.598
34 HG21 THR 8 3HG2 THR 8 -8.174 -8.808 -5.984
35 HG22 THR 8 1HG2 THR 8 -7.540 -9.359 -7.533
36 HG23 THR 8 2HG2 THR 8 -6.653 -9.697 -6.047
37 H GLY 9 H GLY 9 -7.784 -9.080 -3.788
38 HA2 GLY 9 1HA GLY 9 -8.981 -7.014 -3.506
39 HA3 GLY 9 2HA GLY 9 -10.474 -7.938 -3.423
40 H GLU 10 H GLU 10 -7.376 -7.582 -1.699
41 HA GLU 10 HA GLU 10 -7.946 -8.742 0.687
42 HB2 GLU 10 1HB GLU 10 -6.361 -6.300 -0.010
43 HB3 GLU 10 2HB GLU 10 -6.579 -6.731 1.680
44 HG2 GLU 10 1HG GLU 10 -4.499 -7.623 0.884
45 HG3 GLU 10 2HG GLU 10 -5.615 -8.945 1.219
46 H ARG 11 H ARG 11 -9.608 -8.579 2.025
47 HA ARG 11 HA ARG 11 -11.614 -6.674 1.923
48 HB2 ARG 11 1HB ARG 11 -12.319 -7.508 4.119
49 HB3 ARG 11 2HB ARG 11 -11.882 -8.829 3.044
50 HG2 ARG 11 1HG ARG 11 -9.984 -9.352 4.234
51 HG3 ARG 11 2HG ARG 11 -9.844 -7.734 4.923
52 HD2 ARG 11 1HD ARG 11 -10.618 -8.846 6.754
53 HD3 ARG 11 2HD ARG 11 -12.158 -8.400 6.021
54 HE ARG 11 HE ARG 11 -12.545 -10.617 5.537
55 HH11 ARG 11 1HH1 ARG 11 -9.246 -10.190 6.564
56 HH12 ARG 11 2HH1 ARG 11 -8.933 -11.888 6.705
57 HH21 ARG 11 1HH2 ARG 11 -12.145 -12.855 5.718
58 HH22 ARG 11 2HH2 ARG 11 -10.582 -13.403 6.222
59 H HIS 12 H HIS 12 -8.504 -6.499 3.404
60 HA HIS 12 HA HIS 12 -9.147 -3.805 4.375
61 HB2 HIS 12 1HB HIS 12 -7.633 -4.264 6.353
62 HB3 HIS 12 2HB HIS 12 -9.188 -5.089 6.380
63 HD1 HIS 12 HD1 HIS 12 -8.976 -7.421 7.135
64 HD2 HIS 12 HD2 HIS 12 -5.593 -6.166 5.075
65 HE1 HIS 12 HE1 HIS 12 -7.410 -9.389 7.151
66 H TYR 13 H TYR 13 -6.933 -2.738 5.094
67 HA TYR 13 HA TYR 13 -4.978 -3.306 2.962
68 HB2 TYR 13 1HB TYR 13 -5.426 -0.582 4.169
69 HB3 TYR 13 2HB TYR 13 -4.579 -0.990 2.681
70 HD1 TYR 13 HD1 TYR 13 -5.822 -1.521 0.646
71 HD2 TYR 13 HD2 TYR 13 -7.838 -0.425 4.229
72 HE1 TYR 13 HE1 TYR 13 -7.882 -1.132 -0.640
73 HE2 TYR 13 HE2 TYR 13 -9.904 -0.034 2.953
74 HH TYR 13 HH TYR 13 -9.958 0.111 -0.458
75 H GLU 14 H GLU 14 -2.894 -3.549 3.533
76 HA GLU 14 HA GLU 14 -2.223 -3.149 6.372
77 HB2 GLU 14 1HB GLU 14 -0.798 -4.986 4.452
78 HB3 GLU 14 2HB GLU 14 -0.662 -4.945 6.204
79 HG2 GLU 14 1HG GLU 14 -2.025 -6.739 5.991
80 HG3 GLU 14 2HG GLU 14 -3.247 -5.470 6.058
81 H CYS 15 H CYS 15 -0.072 -2.437 6.886
82 HA CYS 15 HA CYS 15 0.844 -0.387 5.074
83 HB2 CYS 15 1HB CYS 15 0.711 -0.005 7.519
84 HB3 CYS 15 2HB CYS 15 1.958 -1.225 7.758
85 H SER 16 H SER 16 2.254 -0.755 3.508
86 HA SER 16 HA SER 16 3.874 -3.145 3.493
87 HB2 SER 16 1HB SER 16 2.739 -2.191 1.447
88 HB3 SER 16 2HB SER 16 3.916 -0.878 1.492
89 HG SER 16 HG SER 16 4.326 -2.921 0.176
90 H GLU 17 H GLU 17 4.529 -1.432 5.619
91 HA GLU 17 HA GLU 17 7.281 -0.710 4.875
92 HB2 GLU 17 1HB GLU 17 5.452 0.872 6.691
93 HB3 GLU 17 2HB GLU 17 7.160 1.205 6.439
94 HG2 GLU 17 1HG GLU 17 5.396 1.091 4.057
95 HG3 GLU 17 2HG GLU 17 5.275 2.492 5.120
96 H CYS 18 H CYS 18 5.052 -1.461 7.532
97 HA CYS 18 HA CYS 18 7.311 -2.709 8.957
98 HB2 CYS 18 1HB CYS 18 5.982 -2.250 11.054
99 HB3 CYS 18 2HB CYS 18 6.619 -0.822 10.245
100 H GLY 19 H GLY 19 3.773 -2.821 8.545
101 HA2 GLY 19 1HA GLY 19 2.987 -5.076 7.736
102 HA3 GLY 19 2HA GLY 19 3.911 -5.723 9.084
103 H LYS 20 H LYS 20 1.500 -3.135 8.607
104 HA LYS 20 HA LYS 20 0.127 -4.119 11.020
105 HB2 LYS 20 1HB LYS 20 0.539 -1.390 9.886
106 HB3 LYS 20 2HB LYS 20 -0.943 -1.704 10.780
107 HG2 LYS 20 1HG LYS 20 0.704 -2.669 12.572
108 HG3 LYS 20 2HG LYS 20 1.876 -1.646 11.736
109 HD2 LYS 20 1HD LYS 20 0.739 0.309 12.276
110 HD3 LYS 20 2HD LYS 20 -0.777 -0.541 12.583
111 HE2 LYS 20 1HE LYS 20 -0.057 -0.025 14.720
112 HE3 LYS 20 2HE LYS 20 0.539 -1.670 14.510
113 HZ1 LYS 20 3HZ LYS 20 2.095 0.845 14.284
114 HZ2 LYS 20 1HZ LYS 20 2.695 -0.668 13.822
115 HZ3 LYS 20 2HZ LYS 20 2.282 -0.379 15.437
116 H ALA 21 H ALA 21 -2.299 -3.455 10.970
117 HA ALA 21 HA ALA 21 -3.437 -3.859 8.296
118 HB1 ALA 21 3HB ALA 21 -3.641 -6.039 8.935
119 HB2 ALA 21 1HB ALA 21 -3.732 -5.645 10.652
120 HB3 ALA 21 2HB ALA 21 -5.137 -5.397 9.613
121 H PHE 22 H PHE 22 -4.952 -2.396 7.896
122 HA PHE 22 HA PHE 22 -6.334 -1.148 10.179
123 HB2 PHE 22 1HB PHE 22 -5.838 0.074 7.458
124 HB3 PHE 22 2HB PHE 22 -6.527 0.877 8.865
125 HD1 PHE 22 HD2 PHE 22 -3.439 -0.801 7.662
126 HD2 PHE 22 HD1 PHE 22 -5.158 2.016 10.350
127 HE1 PHE 22 HE2 PHE 22 -1.187 -0.094 8.355
128 HE2 PHE 22 HE1 PHE 22 -2.908 2.729 11.047
129 HZ PHE 22 HZ PHE 22 -0.919 1.673 10.050
130 H ILE 23 H ILE 23 -8.419 0.058 9.148
131 HA ILE 23 HA ILE 23 -9.981 -2.122 7.952
132 HB ILE 23 HB ILE 23 -10.842 -1.343 10.083
133 HG12 ILE 23 1HG1 ILE 23 -12.661 -0.238 7.946
134 HG13 ILE 23 2HG1 ILE 23 -12.379 -1.965 8.135
135 HG21 ILE 23 1HG2 ILE 23 -9.962 0.880 10.169
136 HG22 ILE 23 2HG2 ILE 23 -10.909 1.364 8.763
137 HG23 ILE 23 3HG2 ILE 23 -11.718 0.984 10.283
138 HD11 ILE 23 3HD1 ILE 23 -13.419 -0.192 10.327
139 HD12 ILE 23 1HD1 ILE 23 -14.446 -1.111 9.226
140 HD13 ILE 23 2HD1 ILE 23 -13.339 -1.954 10.311
141 H GLN 24 H GLN 24 -8.962 1.175 7.484
142 HA GLN 24 HA GLN 24 -10.194 1.126 4.820
143 HB2 GLN 24 1HB GLN 24 -10.280 3.413 6.790
144 HB3 GLN 24 2HB GLN 24 -10.665 3.584 5.082
145 HG2 GLN 24 1HG GLN 24 -12.094 1.706 6.946
146 HG3 GLN 24 2HG GLN 24 -12.637 3.343 6.581
147 HE21 GLN 24 1HE2 GLN 24 -13.079 0.202 5.826
148 HE22 GLN 24 2HE2 GLN 24 -13.707 0.362 4.225
149 H LYS 25 H LYS 25 -9.239 2.845 3.379
150 HA LYS 25 HA LYS 25 -6.433 2.551 3.299
151 HB2 LYS 25 1HB LYS 25 -8.467 4.057 1.736
152 HB3 LYS 25 2HB LYS 25 -6.792 4.570 1.584
153 HG2 LYS 25 1HG LYS 25 -7.568 1.700 1.232
154 HG3 LYS 25 2HG LYS 25 -7.705 2.859 -0.091
155 HD2 LYS 25 1HD LYS 25 -5.308 3.410 0.200
156 HD3 LYS 25 2HD LYS 25 -5.200 2.158 1.440
157 HE2 LYS 25 1HE LYS 25 -6.009 0.524 -0.290
158 HE3 LYS 25 2HE LYS 25 -5.824 1.806 -1.487
159 HZ1 LYS 25 3HZ LYS 25 -3.459 1.638 0.003
160 HZ2 LYS 25 1HZ LYS 25 -3.689 1.306 -1.640
161 HZ3 LYS 25 2HZ LYS 25 -3.867 0.074 -0.495
162 H SER 26 H SER 26 -8.329 5.553 3.670
163 HA SER 26 HA SER 26 -6.382 7.338 4.245
164 HB2 SER 26 1HB SER 26 -8.040 8.496 5.741
165 HB3 SER 26 2HB SER 26 -8.680 8.047 4.160
166 HG SER 26 HG SER 26 -9.851 7.511 6.309
167 H THR 27 H THR 27 -8.069 5.494 6.793
168 HA THR 27 HA THR 27 -6.655 6.217 8.989
169 HB THR 27 HB THR 27 -7.542 3.404 8.322
170 HG1 THR 27 HG1 THR 27 -8.920 5.120 10.063
171 HG21 THR 27 3HG2 THR 27 -5.866 4.001 10.330
172 HG22 THR 27 1HG2 THR 27 -7.103 2.752 10.454
173 HG23 THR 27 2HG2 THR 27 -7.401 4.357 11.121
174 H LEU 28 H LEU 28 -5.685 3.734 6.643
175 HA LEU 28 HA LEU 28 -3.296 2.999 7.964
176 HB2 LEU 28 1HB LEU 28 -3.947 1.416 6.448
177 HB3 LEU 28 2HB LEU 28 -4.444 2.610 5.252
178 HG LEU 28 HG LEU 28 -1.988 3.051 4.853
179 HD11 LEU 28 1HD1 LEU 28 -1.702 0.495 6.425
180 HD12 LEU 28 2HD1 LEU 28 -1.141 2.088 6.930
181 HD13 LEU 28 3HD1 LEU 28 -0.423 1.307 5.522
182 HD21 LEU 28 3HD2 LEU 28 -3.582 1.534 3.510
183 HD22 LEU 28 1HD2 LEU 28 -2.696 0.202 4.253
184 HD23 LEU 28 2HD2 LEU 28 -1.845 1.375 3.247
185 H SER 29 H SER 29 -3.984 5.305 5.364
186 HA SER 29 HA SER 29 -1.371 6.042 4.747
187 HB2 SER 29 1HB SER 29 -4.019 7.435 4.541
188 HB3 SER 29 2HB SER 29 -2.538 8.321 4.177
189 HG SER 29 HG SER 29 -3.791 6.931 2.485
190 H MET 30 H MET 30 -3.549 7.257 7.253
191 HA MET 30 HA MET 30 -2.011 9.407 8.145
192 HB2 MET 30 1HB MET 30 -3.745 7.624 9.860
193 HB3 MET 30 2HB MET 30 -3.290 9.290 10.194
194 HG2 MET 30 1HG MET 30 -4.850 8.545 7.747
195 HG3 MET 30 2HG MET 30 -5.634 8.842 9.297
196 HE1 MET 30 3HE MET 30 -6.741 11.184 9.602
197 HE2 MET 30 1HE MET 30 -5.339 11.020 10.660
198 HE3 MET 30 2HE MET 30 -5.616 12.530 9.791
199 H HIS 31 H HIS 31 -1.638 5.991 8.634
200 HA HIS 31 HA HIS 31 0.310 6.355 10.767
201 HB2 HIS 31 1HB HIS 31 -0.890 4.454 11.253
202 HB3 HIS 31 2HB HIS 31 -1.110 4.029 9.558
203 HD1 HIS 31 HD1 HIS 31 1.069 3.424 12.472
204 HD2 HIS 31 HD2 HIS 31 1.125 2.677 8.385
205 HE1 HIS 31 HE1 HIS 31 2.880 1.713 12.126
206 H GLN 32 H GLN 32 0.243 4.826 7.545
207 HA GLN 32 HA GLN 32 2.828 4.126 7.193
208 HB2 GLN 32 1HB GLN 32 0.766 5.210 5.346
209 HB3 GLN 32 2HB GLN 32 2.417 5.123 4.747
210 HG2 GLN 32 1HG GLN 32 2.485 2.744 5.202
211 HG3 GLN 32 2HG GLN 32 0.861 2.811 5.883
212 HE21 GLN 32 1HE2 GLN 32 1.748 1.190 3.705
213 HE22 GLN 32 2HE2 GLN 32 0.834 1.655 2.315
214 H ARG 33 H ARG 33 1.567 7.384 7.272
215 HA ARG 33 HA ARG 33 3.591 8.847 6.128
216 HB2 ARG 33 1HB ARG 33 2.826 10.707 7.361
217 HB3 ARG 33 2HB ARG 33 1.413 9.680 7.156
218 HG2 ARG 33 1HG ARG 33 1.721 8.815 9.427
219 HG3 ARG 33 2HG ARG 33 3.120 9.871 9.629
220 HD2 ARG 33 1HD ARG 33 0.883 10.673 10.572
221 HD3 ARG 33 2HD ARG 33 1.810 11.807 9.589
222 HE ARG 33 HE ARG 33 -0.722 10.567 8.910
223 HH11 ARG 33 1HH1 ARG 33 2.047 12.371 7.817
224 HH12 ARG 33 2HH1 ARG 33 1.249 12.998 6.414
225 HH21 ARG 33 1HH2 ARG 33 -1.785 11.386 7.066
226 HH22 ARG 33 2HH2 ARG 33 -0.932 12.438 5.987
227 H ILE 34 H ILE 34 3.447 7.559 9.426
228 HA ILE 34 HA ILE 34 5.634 8.683 10.595
229 HB ILE 34 HB ILE 34 5.805 6.807 12.030
230 HG12 ILE 34 1HG1 ILE 34 4.316 5.186 9.954
231 HG13 ILE 34 2HG1 ILE 34 6.052 5.108 10.231
232 HG21 ILE 34 1HG2 ILE 34 3.816 7.314 12.870
233 HG22 ILE 34 2HG2 ILE 34 3.273 7.877 11.290
234 HG23 ILE 34 3HG2 ILE 34 3.062 6.186 11.744
235 HD11 ILE 34 3HD1 ILE 34 5.087 4.652 12.727
236 HD12 ILE 34 1HD1 ILE 34 3.849 3.900 11.721
237 HD13 ILE 34 2HD1 ILE 34 5.534 3.399 11.569
238 H HIS 35 H HIS 35 5.599 6.209 8.114
239 HA HIS 35 HA HIS 35 8.419 5.665 8.302
240 HB2 HIS 35 1HB HIS 35 6.401 4.924 6.174
241 HB3 HIS 35 2HB HIS 35 8.053 4.317 6.256
242 HD1 HIS 35 HD1 HIS 35 8.574 2.534 8.044
243 HD2 HIS 35 HD2 HIS 35 4.615 3.795 8.017
244 HE1 HIS 35 HE1 HIS 35 7.331 0.879 9.473
245 H ARG 36 H ARG 36 6.331 7.726 6.392
246 HA ARG 36 HA ARG 36 8.459 8.487 4.582
247 HB2 ARG 36 1HB ARG 36 5.616 9.456 4.904
248 HB3 ARG 36 2HB ARG 36 6.730 10.088 3.699
249 HG2 ARG 36 1HG ARG 36 6.881 7.933 2.637
250 HG3 ARG 36 2HG ARG 36 5.893 7.204 3.904
251 HD2 ARG 36 1HD ARG 36 4.146 8.999 3.203
252 HD3 ARG 36 2HD ARG 36 5.092 9.080 1.717
253 HE ARG 36 HE ARG 36 3.389 6.913 2.585
254 HH11 ARG 36 1HH1 ARG 36 5.971 7.915 0.475
255 HH12 ARG 36 2HH1 ARG 36 5.710 6.637 -0.665
256 HH21 ARG 36 1HH2 ARG 36 3.037 5.226 1.091
257 HH22 ARG 36 2HH2 ARG 36 4.041 5.109 -0.315
258 H GLY 37 H GLY 37 9.360 9.003 7.061
259 HA2 GLY 37 1HA GLY 37 8.758 11.487 8.193
260 HA3 GLY 37 2HA GLY 37 10.297 10.654 8.349
261 H GLU 38 H GLU 38 11.416 12.638 8.273
262 HA GLU 38 HA GLU 38 11.279 14.118 5.749
263 HB2 GLU 38 1HB GLU 38 12.408 14.755 8.462
264 HB3 GLU 38 2HB GLU 38 12.866 15.691 7.046
265 HG2 GLU 38 1HG GLU 38 10.065 15.325 8.086
266 HG3 GLU 38 2HG GLU 38 11.067 16.761 8.287
267 H LYS 39 H LYS 39 12.765 13.860 4.224
268 HA LYS 39 HA LYS 39 14.740 11.937 4.249
269 HB2 LYS 39 1HB LYS 39 15.507 12.836 2.208
270 HB3 LYS 39 2HB LYS 39 13.791 13.218 2.260
271 HG2 LYS 39 1HG LYS 39 15.832 15.192 3.204
272 HG3 LYS 39 2HG LYS 39 15.443 15.030 1.490
273 HD2 LYS 39 1HD LYS 39 13.015 15.332 2.157
274 HD3 LYS 39 2HD LYS 39 13.611 15.809 3.749
275 HE2 LYS 39 1HE LYS 39 14.666 17.127 1.278
276 HE3 LYS 39 2HE LYS 39 13.121 17.630 1.962
277 HZ1 LYS 39 3HZ LYS 39 15.240 17.419 3.899
278 HZ2 LYS 39 1HZ LYS 39 14.125 18.666 3.646
279 HZ3 LYS 39 2HZ LYS 39 15.530 18.584 2.708
280 HA PRO 40 HA PRO 40 18.016 13.555 6.705
281 HB2 PRO 40 1HB PRO 40 20.084 12.150 5.647
282 HB3 PRO 40 2HB PRO 40 18.869 11.422 6.704
283 HG2 PRO 40 1HG PRO 40 19.064 11.359 3.718
284 HG3 PRO 40 2HG PRO 40 18.662 10.047 4.840
285 HD2 PRO 40 1HD PRO 40 16.776 11.400 3.446
286 HD3 PRO 40 2HD PRO 40 16.476 10.741 5.067
287 H SER 41 H SER 41 18.655 13.313 3.210
288 HA SER 41 HA SER 41 20.255 15.778 3.405
289 HB2 SER 41 1HB SER 41 21.453 13.765 2.551
290 HB3 SER 41 2HB SER 41 20.312 13.695 1.208
291 HG SER 41 HG SER 41 22.136 14.810 0.546
292 H GLY 42 H GLY 42 19.805 17.510 2.098
293 HA2 GLY 42 1HA GLY 42 18.374 17.692 -0.204
294 HA3 GLY 42 2HA GLY 42 17.128 17.632 1.034
295 HA PRO 43 HA PRO 43 19.741 21.708 1.574
296 HB2 PRO 43 1HB PRO 43 20.941 22.554 -0.710
297 HB3 PRO 43 2HB PRO 43 21.751 21.525 0.477
298 HG2 PRO 43 1HG PRO 43 20.426 20.766 -2.098
299 HG3 PRO 43 2HG PRO 43 21.965 20.200 -1.423
300 HD2 PRO 43 1HD PRO 43 19.683 18.751 -1.264
301 HD3 PRO 43 2HD PRO 43 20.936 18.700 -0.007
302 H SER 44 H SER 44 19.195 23.899 0.902
303 HA SER 44 HA SER 44 16.704 23.940 -0.644
304 HB2 SER 44 1HB SER 44 17.800 25.565 1.597
305 HB3 SER 44 2HB SER 44 16.746 26.384 0.445
306 HG SER 44 HG SER 44 16.106 23.992 1.836
307 H SER 45 H SER 45 19.773 25.689 -0.301
308 HA SER 45 HA SER 45 20.919 27.060 -1.710
309 HB2 SER 45 1HB SER 45 19.439 25.604 -3.911
310 HB3 SER 45 2HB SER 45 20.990 26.434 -4.039
311 HG SER 45 HG SER 45 20.408 23.923 -3.090
312 H GLY 46 H GLY 46 18.605 28.174 -0.643
313 HA2 GLY 46 1HA GLY 46 17.834 29.991 -2.834
314 HA3 GLY 46 2HA GLY 46 16.613 29.333 -1.754
Start of MODEL 12
1 H1 GLY 1 H GLY 1 5.868 -29.140 -4.107
2 HA2 GLY 1 1HA GLY 1 7.668 -27.439 -3.160
3 HA3 GLY 1 2HA GLY 1 6.317 -26.342 -3.407
4 H SER 2 H SER 2 5.182 -25.964 -1.638
5 HA SER 2 HA SER 2 5.230 -27.937 0.527
6 HB2 SER 2 1HB SER 2 5.905 -25.640 1.095
7 HB3 SER 2 2HB SER 2 4.338 -25.042 0.549
8 HG SER 2 HG SER 2 4.075 -25.296 2.688
9 H SER 3 H SER 3 2.874 -25.751 -1.023
10 HA SER 3 HA SER 3 0.641 -25.946 -1.409
11 HB2 SER 3 1HB SER 3 1.299 -28.897 -1.267
12 HB3 SER 3 2HB SER 3 -0.247 -28.247 -1.810
13 HG SER 3 HG SER 3 1.838 -28.673 -3.285
14 H GLY 4 H GLY 4 1.338 -25.387 1.197
15 HA2 GLY 4 1HA GLY 4 -0.884 -26.667 2.635
16 HA3 GLY 4 2HA GLY 4 0.703 -26.615 3.389
17 H SER 5 H SER 5 -0.931 -24.131 1.459
18 HA SER 5 HA SER 5 -0.238 -22.071 3.279
19 HB2 SER 5 1HB SER 5 -1.809 -20.681 1.875
20 HB3 SER 5 2HB SER 5 -0.538 -21.500 0.968
21 HG SER 5 HG SER 5 -3.214 -22.404 1.266
22 H SER 6 H SER 6 -1.025 -22.402 5.314
23 HA SER 6 HA SER 6 -3.542 -23.344 6.021
24 HB2 SER 6 1HB SER 6 -1.691 -23.133 7.622
25 HB3 SER 6 2HB SER 6 -1.804 -21.375 7.530
26 HG SER 6 HG SER 6 -3.405 -21.439 8.883
27 H GLY 7 H GLY 7 -2.472 -19.937 5.941
28 HA2 GLY 7 1HA GLY 7 -4.902 -18.736 6.493
29 HA3 GLY 7 2HA GLY 7 -3.639 -18.006 5.513
30 H THR 8 H THR 8 -6.603 -17.944 5.287
31 HA THR 8 HA THR 8 -7.169 -19.416 2.858
32 HB THR 8 HB THR 8 -9.395 -18.303 2.979
33 HG1 THR 8 HG1 THR 8 -8.864 -17.373 5.550
34 HG21 THR 8 3HG2 THR 8 -9.381 -20.383 4.024
35 HG22 THR 8 1HG2 THR 8 -9.985 -19.317 5.291
36 HG23 THR 8 2HG2 THR 8 -8.301 -19.842 5.308
37 H GLY 9 H GLY 9 -6.860 -16.009 3.832
38 HA2 GLY 9 1HA GLY 9 -5.478 -14.905 1.872
39 HA3 GLY 9 2HA GLY 9 -6.996 -15.184 1.031
40 H GLU 10 H GLU 10 -5.289 -13.191 3.239
41 HA GLU 10 HA GLU 10 -7.621 -11.761 4.164
42 HB2 GLU 10 1HB GLU 10 -4.673 -11.539 4.604
43 HB3 GLU 10 2HB GLU 10 -5.694 -10.158 4.979
44 HG2 GLU 10 1HG GLU 10 -6.962 -11.454 6.552
45 HG3 GLU 10 2HG GLU 10 -6.097 -12.921 6.098
46 H ARG 11 H ARG 11 -8.452 -9.919 3.361
47 HA ARG 11 HA ARG 11 -7.008 -8.612 1.150
48 HB2 ARG 11 1HB ARG 11 -9.289 -8.111 0.190
49 HB3 ARG 11 2HB ARG 11 -8.796 -9.798 0.128
50 HG2 ARG 11 1HG ARG 11 -10.423 -8.846 2.434
51 HG3 ARG 11 2HG ARG 11 -11.206 -9.137 0.880
52 HD2 ARG 11 1HD ARG 11 -10.636 -11.409 0.891
53 HD3 ARG 11 2HD ARG 11 -9.412 -11.185 2.140
54 HE ARG 11 HE ARG 11 -11.061 -11.283 3.750
55 HH11 ARG 11 1HH1 ARG 11 -12.487 -11.116 0.579
56 HH12 ARG 11 2HH1 ARG 11 -14.082 -11.503 1.133
57 HH21 ARG 11 1HH2 ARG 11 -13.157 -11.793 4.492
58 HH22 ARG 11 2HH2 ARG 11 -14.462 -11.887 3.359
59 H HIS 12 H HIS 12 -6.201 -7.160 2.797
60 HA HIS 12 HA HIS 12 -8.078 -4.975 3.289
61 HB2 HIS 12 1HB HIS 12 -7.242 -4.732 5.624
62 HB3 HIS 12 2HB HIS 12 -8.156 -6.214 5.362
63 HD1 HIS 12 HD1 HIS 12 -7.035 -7.506 7.253
64 HD2 HIS 12 HD2 HIS 12 -4.354 -6.027 4.445
65 HE1 HIS 12 HE1 HIS 12 -4.838 -8.615 7.772
66 H TYR 13 H TYR 13 -6.734 -3.094 4.391
67 HA TYR 13 HA TYR 13 -4.482 -2.636 2.600
68 HB2 TYR 13 1HB TYR 13 -5.476 -0.589 4.543
69 HB3 TYR 13 2HB TYR 13 -4.812 -0.365 2.929
70 HD1 TYR 13 HD1 TYR 13 -6.412 -1.966 1.196
71 HD2 TYR 13 HD2 TYR 13 -7.628 0.232 4.630
72 HE1 TYR 13 HE1 TYR 13 -8.689 -1.806 0.279
73 HE2 TYR 13 HE2 TYR 13 -9.909 0.398 3.723
74 HH TYR 13 HH TYR 13 -10.667 -0.481 0.485
75 H GLU 14 H GLU 14 -2.846 -3.872 3.517
76 HA GLU 14 HA GLU 14 -2.062 -3.262 6.271
77 HB2 GLU 14 1HB GLU 14 -2.236 -5.653 5.143
78 HB3 GLU 14 2HB GLU 14 -0.610 -5.263 4.601
79 HG2 GLU 14 1HG GLU 14 -0.276 -4.664 7.144
80 HG3 GLU 14 2HG GLU 14 -1.627 -5.779 7.341
81 H CYS 15 H CYS 15 -0.412 -1.961 6.725
82 HA CYS 15 HA CYS 15 0.902 -0.432 4.798
83 HB2 CYS 15 1HB CYS 15 0.666 0.186 7.196
84 HB3 CYS 15 2HB CYS 15 1.864 -1.039 7.601
85 H SER 16 H SER 16 2.448 -0.935 3.407
86 HA SER 16 HA SER 16 3.892 -3.426 3.655
87 HB2 SER 16 1HB SER 16 2.957 -2.387 1.482
88 HB3 SER 16 2HB SER 16 4.380 -1.346 1.532
89 HG SER 16 HG SER 16 5.504 -3.521 1.821
90 H GLU 17 H GLU 17 4.486 -1.589 5.714
91 HA GLU 17 HA GLU 17 7.336 -1.119 5.164
92 HB2 GLU 17 1HB GLU 17 5.459 0.726 6.649
93 HB3 GLU 17 2HB GLU 17 7.207 0.909 6.612
94 HG2 GLU 17 1HG GLU 17 5.766 0.751 4.024
95 HG3 GLU 17 2HG GLU 17 5.628 2.233 4.969
96 H CYS 18 H CYS 18 4.874 -1.393 7.717
97 HA CYS 18 HA CYS 18 6.917 -2.614 9.451
98 HB2 CYS 18 1HB CYS 18 5.285 -2.058 11.309
99 HB3 CYS 18 2HB CYS 18 6.042 -0.678 10.521
100 H GLY 19 H GLY 19 3.463 -2.838 8.600
101 HA2 GLY 19 1HA GLY 19 2.776 -5.125 7.847
102 HA3 GLY 19 2HA GLY 19 3.600 -5.710 9.284
103 H LYS 20 H LYS 20 1.502 -2.877 8.978
104 HA LYS 20 HA LYS 20 -0.259 -4.079 11.004
105 HB2 LYS 20 1HB LYS 20 1.000 -1.784 11.292
106 HB3 LYS 20 2HB LYS 20 -0.329 -1.169 10.317
107 HG2 LYS 20 1HG LYS 20 -1.926 -1.739 11.937
108 HG3 LYS 20 2HG LYS 20 -0.797 -2.785 12.801
109 HD2 LYS 20 1HD LYS 20 0.484 -0.891 13.536
110 HD3 LYS 20 2HD LYS 20 -0.468 0.201 12.527
111 HE2 LYS 20 1HE LYS 20 -2.482 -0.520 13.870
112 HE3 LYS 20 2HE LYS 20 -1.358 -1.314 14.972
113 HZ1 LYS 20 3HZ LYS 20 -1.817 0.818 15.851
114 HZ2 LYS 20 1HZ LYS 20 -1.546 1.582 14.365
115 HZ3 LYS 20 2HZ LYS 20 -0.252 0.898 15.213
116 H ALA 21 H ALA 21 -2.341 -4.479 10.556
117 HA ALA 21 HA ALA 21 -3.308 -3.781 7.876
118 HB1 ALA 21 3HB ALA 21 -4.013 -5.883 7.833
119 HB2 ALA 21 1HB ALA 21 -3.507 -6.118 9.506
120 HB3 ALA 21 2HB ALA 21 -5.127 -5.516 9.150
121 H PHE 22 H PHE 22 -4.763 -2.226 7.623
122 HA PHE 22 HA PHE 22 -6.362 -1.411 9.960
123 HB2 PHE 22 1HB PHE 22 -5.638 0.349 7.616
124 HB3 PHE 22 2HB PHE 22 -6.334 0.841 9.157
125 HD1 PHE 22 HD2 PHE 22 -3.284 -0.235 7.440
126 HD2 PHE 22 HD1 PHE 22 -4.968 1.099 11.114
127 HE1 PHE 22 HE2 PHE 22 -1.024 0.177 8.321
128 HE2 PHE 22 HE1 PHE 22 -2.711 1.514 12.001
129 HZ PHE 22 HZ PHE 22 -0.736 1.052 10.605
130 H ILE 23 H ILE 23 -8.542 -0.964 9.685
131 HA ILE 23 HA ILE 23 -9.842 -2.419 7.595
132 HB ILE 23 HB ILE 23 -10.830 -2.337 9.814
133 HG12 ILE 23 1HG1 ILE 23 -13.129 -1.237 9.018
134 HG13 ILE 23 2HG1 ILE 23 -12.308 -1.264 7.460
135 HG21 ILE 23 1HG2 ILE 23 -11.770 -0.309 10.743
136 HG22 ILE 23 2HG2 ILE 23 -10.053 -0.078 10.415
137 HG23 ILE 23 3HG2 ILE 23 -11.259 0.607 9.326
138 HD11 ILE 23 3HD1 ILE 23 -11.961 -3.793 8.705
139 HD12 ILE 23 1HD1 ILE 23 -13.669 -3.359 8.767
140 HD13 ILE 23 2HD1 ILE 23 -12.823 -3.395 7.219
141 H GLN 24 H GLN 24 -9.385 1.005 8.346
142 HA GLN 24 HA GLN 24 -10.700 1.715 5.819
143 HB2 GLN 24 1HB GLN 24 -9.960 3.411 8.208
144 HB3 GLN 24 2HB GLN 24 -10.677 4.038 6.730
145 HG2 GLN 24 1HG GLN 24 -12.489 2.181 7.275
146 HG3 GLN 24 2HG GLN 24 -11.898 2.454 8.913
147 HE21 GLN 24 1HE2 GLN 24 -12.815 4.029 10.015
148 HE22 GLN 24 2HE2 GLN 24 -13.714 5.346 9.350
149 H LYS 25 H LYS 25 -9.593 2.551 4.153
150 HA LYS 25 HA LYS 25 -6.832 2.304 3.949
151 HB2 LYS 25 1HB LYS 25 -8.908 3.759 2.359
152 HB3 LYS 25 2HB LYS 25 -7.208 4.016 1.988
153 HG2 LYS 25 1HG LYS 25 -7.194 1.365 1.998
154 HG3 LYS 25 2HG LYS 25 -8.896 1.612 1.603
155 HD2 LYS 25 1HD LYS 25 -8.338 2.881 -0.339
156 HD3 LYS 25 2HD LYS 25 -6.634 2.943 0.120
157 HE2 LYS 25 1HE LYS 25 -6.543 1.251 -1.403
158 HE3 LYS 25 2HE LYS 25 -6.903 0.309 0.043
159 HZ1 LYS 25 3HZ LYS 25 -9.202 1.319 -1.415
160 HZ2 LYS 25 1HZ LYS 25 -8.957 -0.188 -0.685
161 HZ3 LYS 25 2HZ LYS 25 -8.298 0.130 -2.210
162 H SER 26 H SER 26 -8.789 5.185 4.620
163 HA SER 26 HA SER 26 -6.818 7.117 4.611
164 HB2 SER 26 1HB SER 26 -9.186 7.663 4.866
165 HB3 SER 26 2HB SER 26 -9.207 6.911 6.461
166 HG SER 26 HG SER 26 -7.430 9.018 5.857
167 H THR 27 H THR 27 -7.768 4.961 7.257
168 HA THR 27 HA THR 27 -6.128 6.009 9.255
169 HB THR 27 HB THR 27 -6.908 3.111 8.879
170 HG1 THR 27 HG1 THR 27 -8.615 4.837 9.013
171 HG21 THR 27 3HG2 THR 27 -6.657 3.002 11.339
172 HG22 THR 27 1HG2 THR 27 -6.023 4.647 11.325
173 HG23 THR 27 2HG2 THR 27 -5.137 3.354 10.517
174 H LEU 28 H LEU 28 -5.374 3.981 6.534
175 HA LEU 28 HA LEU 28 -2.782 3.203 7.542
176 HB2 LEU 28 1HB LEU 28 -3.612 1.573 6.160
177 HB3 LEU 28 2HB LEU 28 -4.345 2.734 5.055
178 HG LEU 28 HG LEU 28 -2.065 3.266 4.204
179 HD11 LEU 28 1HD1 LEU 28 -0.193 1.948 4.771
180 HD12 LEU 28 2HD1 LEU 28 -1.177 0.803 5.682
181 HD13 LEU 28 3HD1 LEU 28 -0.923 2.434 6.301
182 HD21 LEU 28 3HD2 LEU 28 -3.628 1.610 3.148
183 HD22 LEU 28 1HD2 LEU 28 -2.731 0.338 3.979
184 HD23 LEU 28 2HD2 LEU 28 -1.918 1.358 2.791
185 H SER 29 H SER 29 -3.836 5.072 4.689
186 HA SER 29 HA SER 29 -1.437 6.065 3.857
187 HB2 SER 29 1HB SER 29 -4.017 7.647 3.959
188 HB3 SER 29 2HB SER 29 -2.652 7.944 2.883
189 HG SER 29 HG SER 29 -4.666 6.093 2.697
190 H MET 30 H MET 30 -3.416 7.241 6.528
191 HA MET 30 HA MET 30 -1.755 9.510 7.066
192 HB2 MET 30 1HB MET 30 -3.130 9.844 9.009
193 HB3 MET 30 2HB MET 30 -4.172 9.379 7.672
194 HG2 MET 30 1HG MET 30 -5.027 8.091 9.347
195 HG3 MET 30 2HG MET 30 -3.854 6.978 8.646
196 HE1 MET 30 3HE MET 30 -5.435 8.107 11.410
197 HE2 MET 30 1HE MET 30 -4.430 7.716 12.806
198 HE3 MET 30 2HE MET 30 -4.369 9.331 12.101
199 H HIS 31 H HIS 31 -1.788 6.174 8.017
200 HA HIS 31 HA HIS 31 -0.078 6.511 10.300
201 HB2 HIS 31 1HB HIS 31 -1.308 4.588 10.553
202 HB3 HIS 31 2HB HIS 31 -1.269 4.208 8.833
203 HD1 HIS 31 HD1 HIS 31 0.365 3.435 12.020
204 HD2 HIS 31 HD2 HIS 31 1.221 3.002 7.978
205 HE1 HIS 31 HE1 HIS 31 2.247 1.771 11.906
206 H GLN 32 H GLN 32 0.355 5.315 6.982
207 HA GLN 32 HA GLN 32 2.949 4.512 6.992
208 HB2 GLN 32 1HB GLN 32 1.303 5.939 4.943
209 HB3 GLN 32 2HB GLN 32 3.011 5.666 4.625
210 HG2 GLN 32 1HG GLN 32 2.506 3.212 5.212
211 HG3 GLN 32 2HG GLN 32 0.819 3.664 4.972
212 HE21 GLN 32 1HE2 GLN 32 0.968 2.031 3.266
213 HE22 GLN 32 2HE2 GLN 32 1.543 2.510 1.709
214 H ARG 33 H ARG 33 1.789 7.705 7.526
215 HA ARG 33 HA ARG 33 3.913 9.297 6.760
216 HB2 ARG 33 1HB ARG 33 3.089 10.938 8.243
217 HB3 ARG 33 2HB ARG 33 1.679 10.007 7.754
218 HG2 ARG 33 1HG ARG 33 1.728 8.781 9.844
219 HG3 ARG 33 2HG ARG 33 3.191 9.640 10.332
220 HD2 ARG 33 1HD ARG 33 0.544 10.956 9.739
221 HD3 ARG 33 2HD ARG 33 1.116 10.541 11.354
222 HE ARG 33 HE ARG 33 2.890 12.221 9.805
223 HH11 ARG 33 1HH1 ARG 33 0.305 12.073 12.132
224 HH12 ARG 33 2HH1 ARG 33 0.615 13.653 12.771
225 HH21 ARG 33 1HH2 ARG 33 3.308 14.303 10.638
226 HH22 ARG 33 2HH2 ARG 33 2.323 14.921 11.920
227 H ILE 34 H ILE 34 3.544 7.336 9.668
228 HA ILE 34 HA ILE 34 5.757 8.256 11.100
229 HB ILE 34 HB ILE 34 5.677 6.201 12.349
230 HG12 ILE 34 1HG1 ILE 34 3.628 5.004 10.536
231 HG13 ILE 34 2HG1 ILE 34 5.323 4.882 10.077
232 HG21 ILE 34 1HG2 ILE 34 3.935 7.369 13.186
233 HG22 ILE 34 2HG2 ILE 34 3.183 7.586 11.607
234 HG23 ILE 34 3HG2 ILE 34 2.995 6.060 12.470
235 HD11 ILE 34 3HD1 ILE 34 5.284 4.126 12.738
236 HD12 ILE 34 1HD1 ILE 34 3.830 3.401 12.051
237 HD13 ILE 34 2HD1 ILE 34 5.407 3.063 11.336
238 H HIS 35 H HIS 35 5.626 6.487 8.198
239 HA HIS 35 HA HIS 35 8.350 5.458 8.524
240 HB2 HIS 35 1HB HIS 35 6.282 4.953 6.375
241 HB3 HIS 35 2HB HIS 35 7.897 4.251 6.392
242 HD1 HIS 35 HD1 HIS 35 8.358 2.377 8.119
243 HD2 HIS 35 HD2 HIS 35 4.456 3.802 8.149
244 HE1 HIS 35 HE1 HIS 35 7.046 0.714 9.474
245 H ARG 36 H ARG 36 7.216 8.312 7.840
246 HA ARG 36 HA ARG 36 8.824 8.777 5.427
247 HB2 ARG 36 1HB ARG 36 6.515 10.187 6.688
248 HB3 ARG 36 2HB ARG 36 7.651 11.131 5.733
249 HG2 ARG 36 1HG ARG 36 5.819 10.470 4.341
250 HG3 ARG 36 2HG ARG 36 7.264 9.594 3.833
251 HD2 ARG 36 1HD ARG 36 5.504 8.309 5.848
252 HD3 ARG 36 2HD ARG 36 4.919 8.392 4.187
253 HE ARG 36 HE ARG 36 6.830 6.596 5.170
254 HH11 ARG 36 1HH1 ARG 36 6.313 8.708 2.451
255 HH12 ARG 36 2HH1 ARG 36 7.252 7.746 1.358
256 HH21 ARG 36 1HH2 ARG 36 8.069 5.321 3.741
257 HH22 ARG 36 2HH2 ARG 36 8.250 5.819 2.093
258 H GLY 37 H GLY 37 10.830 8.623 6.598
259 HA2 GLY 37 1HA GLY 37 11.486 10.243 8.808
260 HA3 GLY 37 2HA GLY 37 12.637 9.506 7.703
261 H GLU 38 H GLU 38 13.950 11.382 7.862
262 HA GLU 38 HA GLU 38 12.977 13.958 7.120
263 HB2 GLU 38 1HB GLU 38 15.118 13.215 8.492
264 HB3 GLU 38 2HB GLU 38 15.873 13.271 6.905
265 HG2 GLU 38 1HG GLU 38 16.091 15.357 8.250
266 HG3 GLU 38 2HG GLU 38 15.378 15.575 6.653
267 H LYS 39 H LYS 39 14.001 15.195 5.282
268 HA LYS 39 HA LYS 39 14.015 15.520 3.021
269 HB2 LYS 39 1HB LYS 39 15.920 13.301 3.564
270 HB3 LYS 39 2HB LYS 39 15.516 13.623 1.882
271 HG2 LYS 39 1HG LYS 39 17.331 14.973 2.113
272 HG3 LYS 39 2HG LYS 39 16.061 16.104 2.584
273 HD2 LYS 39 1HD LYS 39 16.483 15.600 4.939
274 HD3 LYS 39 2HD LYS 39 17.743 14.455 4.473
275 HE2 LYS 39 1HE LYS 39 18.885 16.426 5.047
276 HE3 LYS 39 2HE LYS 39 18.857 16.409 3.285
277 HZ1 LYS 39 3HZ LYS 39 17.923 18.399 3.360
278 HZ2 LYS 39 1HZ LYS 39 17.825 18.354 5.048
279 HZ3 LYS 39 2HZ LYS 39 16.563 17.730 4.111
280 HA PRO 40 HA PRO 40 10.893 12.009 2.391
281 HB2 PRO 40 1HB PRO 40 8.642 13.506 2.639
282 HB3 PRO 40 2HB PRO 40 9.414 12.697 4.008
283 HG2 PRO 40 1HG PRO 40 9.601 15.558 3.149
284 HG3 PRO 40 2HG PRO 40 9.415 14.890 4.781
285 HD2 PRO 40 1HD PRO 40 11.798 15.743 3.819
286 HD3 PRO 40 2HD PRO 40 11.659 14.401 4.973
287 H SER 41 H SER 41 10.448 15.422 1.437
288 HA SER 41 HA SER 41 10.768 14.830 -1.337
289 HB2 SER 41 1HB SER 41 8.516 15.339 -2.095
290 HB3 SER 41 2HB SER 41 8.455 13.989 -0.962
291 HG SER 41 HG SER 41 7.961 15.635 0.669
292 H GLY 42 H GLY 42 11.730 16.565 -2.149
293 HA2 GLY 42 1HA GLY 42 12.396 18.740 -2.458
294 HA3 GLY 42 2HA GLY 42 10.743 19.173 -2.048
295 HA PRO 43 HA PRO 43 13.324 19.229 2.064
296 HB2 PRO 43 1HB PRO 43 16.020 19.246 1.752
297 HB3 PRO 43 2HB PRO 43 15.085 17.759 1.944
298 HG2 PRO 43 1HG PRO 43 16.141 19.023 -0.555
299 HG3 PRO 43 2HG PRO 43 16.142 17.315 -0.079
300 HD2 PRO 43 1HD PRO 43 14.331 18.343 -1.809
301 HD3 PRO 43 2HD PRO 43 13.945 17.009 -0.704
302 H SER 44 H SER 44 15.058 20.702 -0.682
303 HA SER 44 HA SER 44 15.925 22.808 -0.955
304 HB2 SER 44 1HB SER 44 14.199 24.600 -0.617
305 HB3 SER 44 2HB SER 44 13.628 23.224 -1.561
306 HG SER 44 HG SER 44 12.499 22.494 0.200
307 H SER 45 H SER 45 16.880 21.695 1.392
308 HA SER 45 HA SER 45 17.350 24.104 2.961
309 HB2 SER 45 1HB SER 45 16.336 21.520 4.167
310 HB3 SER 45 2HB SER 45 17.007 22.857 5.102
311 HG SER 45 HG SER 45 14.984 23.497 3.316
312 H GLY 46 H GLY 46 19.335 24.139 4.011
313 HA2 GLY 46 1HA GLY 46 21.411 22.645 2.856
314 HA3 GLY 46 2HA GLY 46 21.551 23.625 4.308
Start of MODEL 13
1 H1 GLY 1 H GLY 1 -23.751 -22.905 -16.169
2 HA2 GLY 1 1HA GLY 1 -22.083 -25.300 -15.808
3 HA3 GLY 1 2HA GLY 1 -21.347 -23.712 -15.643
4 H SER 2 H SER 2 -20.809 -23.912 -13.494
5 HA SER 2 HA SER 2 -22.959 -23.444 -11.628
6 HB2 SER 2 1HB SER 2 -22.989 -25.864 -11.616
7 HB3 SER 2 2HB SER 2 -21.239 -25.925 -11.405
8 HG SER 2 HG SER 2 -21.562 -25.764 -9.346
9 H SER 3 H SER 3 -22.232 -21.737 -10.559
10 HA SER 3 HA SER 3 -19.421 -21.725 -9.676
11 HB2 SER 3 1HB SER 3 -19.325 -19.332 -10.016
12 HB3 SER 3 2HB SER 3 -19.872 -20.087 -11.513
13 HG SER 3 HG SER 3 -21.120 -18.239 -10.912
14 H GLY 4 H GLY 4 -18.981 -20.805 -7.646
15 HA2 GLY 4 1HA GLY 4 -21.201 -21.007 -5.786
16 HA3 GLY 4 2HA GLY 4 -19.504 -20.820 -5.371
17 H SER 5 H SER 5 -19.564 -19.117 -4.008
18 HA SER 5 HA SER 5 -20.325 -16.543 -5.162
19 HB2 SER 5 1HB SER 5 -21.439 -15.919 -2.979
20 HB3 SER 5 2HB SER 5 -22.315 -17.101 -3.952
21 HG SER 5 HG SER 5 -20.524 -18.194 -2.173
22 H SER 6 H SER 6 -19.451 -14.707 -3.954
23 HA SER 6 HA SER 6 -17.078 -15.436 -2.365
24 HB2 SER 6 1HB SER 6 -15.851 -13.607 -3.409
25 HB3 SER 6 2HB SER 6 -16.463 -14.697 -4.654
26 HG SER 6 HG SER 6 -17.221 -12.084 -4.034
27 H GLY 7 H GLY 7 -17.410 -14.804 -0.339
28 HA2 GLY 7 1HA GLY 7 -17.712 -12.126 0.411
29 HA3 GLY 7 2HA GLY 7 -19.305 -12.869 0.452
30 H THR 8 H THR 8 -16.155 -14.274 1.274
31 HA THR 8 HA THR 8 -17.168 -14.690 4.013
32 HB THR 8 HB THR 8 -15.267 -16.470 2.474
33 HG1 THR 8 HG1 THR 8 -17.017 -17.881 2.369
34 HG21 THR 8 3HG2 THR 8 -16.231 -16.432 5.293
35 HG22 THR 8 1HG2 THR 8 -14.644 -16.851 4.652
36 HG23 THR 8 2HG2 THR 8 -15.982 -17.991 4.509
37 H GLY 9 H GLY 9 -14.096 -14.586 2.188
38 HA2 GLY 9 1HA GLY 9 -12.755 -13.544 4.570
39 HA3 GLY 9 2HA GLY 9 -11.971 -14.116 3.105
40 H GLU 10 H GLU 10 -11.498 -11.647 4.560
41 HA GLU 10 HA GLU 10 -12.055 -9.769 2.368
42 HB2 GLU 10 1HB GLU 10 -12.480 -7.976 3.927
43 HB3 GLU 10 2HB GLU 10 -13.567 -9.311 4.283
44 HG2 GLU 10 1HG GLU 10 -12.293 -9.950 6.184
45 HG3 GLU 10 2HG GLU 10 -10.993 -8.839 5.759
46 H ARG 11 H ARG 11 -10.460 -8.219 1.967
47 HA ARG 11 HA ARG 11 -7.882 -8.748 3.292
48 HB2 ARG 11 1HB ARG 11 -8.569 -8.123 0.438
49 HB3 ARG 11 2HB ARG 11 -6.971 -7.745 1.069
50 HG2 ARG 11 1HG ARG 11 -6.363 -9.930 1.233
51 HG3 ARG 11 2HG ARG 11 -8.015 -10.483 1.518
52 HD2 ARG 11 1HD ARG 11 -8.542 -10.032 -0.848
53 HD3 ARG 11 2HD ARG 11 -6.864 -9.558 -1.112
54 HE ARG 11 HE ARG 11 -7.893 -12.243 -0.811
55 HH11 ARG 11 1HH1 ARG 11 -5.092 -10.175 -0.754
56 HH12 ARG 11 2HH1 ARG 11 -3.973 -11.464 -1.050
57 HH21 ARG 11 1HH2 ARG 11 -6.429 -13.948 -1.202
58 HH22 ARG 11 2HH2 ARG 11 -4.734 -13.610 -1.306
59 H HIS 12 H HIS 12 -7.764 -7.176 4.807
60 HA HIS 12 HA HIS 12 -8.668 -4.500 4.352
61 HB2 HIS 12 1HB HIS 12 -7.450 -4.074 6.554
62 HB3 HIS 12 2HB HIS 12 -8.771 -5.237 6.597
63 HD1 HIS 12 HD1 HIS 12 -8.197 -7.180 7.993
64 HD2 HIS 12 HD2 HIS 12 -4.862 -5.670 6.029
65 HE1 HIS 12 HE1 HIS 12 -6.280 -8.646 8.698
66 H TYR 13 H TYR 13 -7.184 -2.609 4.709
67 HA TYR 13 HA TYR 13 -4.993 -2.802 2.844
68 HB2 TYR 13 1HB TYR 13 -5.778 -0.387 4.475
69 HB3 TYR 13 2HB TYR 13 -4.890 -0.420 2.956
70 HD1 TYR 13 HD2 TYR 13 -8.215 -0.993 4.480
71 HD2 TYR 13 HD1 TYR 13 -6.025 -0.408 0.880
72 HE1 TYR 13 HE2 TYR 13 -10.325 -0.715 3.249
73 HE2 TYR 13 HE1 TYR 13 -8.129 -0.127 -0.362
74 HH TYR 13 HH TYR 13 -10.376 -0.385 -0.260
75 H GLU 14 H GLU 14 -3.280 -3.878 3.687
76 HA GLU 14 HA GLU 14 -2.308 -3.167 6.348
77 HB2 GLU 14 1HB GLU 14 -2.525 -5.580 5.349
78 HB3 GLU 14 2HB GLU 14 -0.993 -5.194 4.578
79 HG2 GLU 14 1HG GLU 14 -0.306 -4.507 7.015
80 HG3 GLU 14 2HG GLU 14 -1.622 -5.593 7.455
81 H CYS 15 H CYS 15 -0.394 -2.159 6.745
82 HA CYS 15 HA CYS 15 0.659 -0.410 4.839
83 HB2 CYS 15 1HB CYS 15 0.844 -0.157 7.323
84 HB3 CYS 15 2HB CYS 15 2.070 -1.422 7.315
85 H SER 16 H SER 16 2.864 -0.337 3.989
86 HA SER 16 HA SER 16 3.714 -3.002 3.101
87 HB2 SER 16 1HB SER 16 4.181 -0.249 1.941
88 HB3 SER 16 2HB SER 16 4.961 -1.707 1.326
89 HG SER 16 HG SER 16 2.183 -1.722 1.622
90 H GLU 17 H GLU 17 4.713 -0.247 4.931
91 HA GLU 17 HA GLU 17 7.520 -0.811 4.874
92 HB2 GLU 17 1HB GLU 17 5.790 0.980 6.565
93 HB3 GLU 17 2HB GLU 17 7.507 0.783 6.888
94 HG2 GLU 17 1HG GLU 17 6.347 1.733 4.279
95 HG3 GLU 17 2HG GLU 17 6.986 2.780 5.544
96 H CYS 18 H CYS 18 5.273 -0.841 7.644
97 HA CYS 18 HA CYS 18 6.945 -2.841 8.946
98 HB2 CYS 18 1HB CYS 18 5.434 -2.437 10.899
99 HB3 CYS 18 2HB CYS 18 6.269 -0.994 10.333
100 H GLY 19 H GLY 19 3.526 -2.421 8.036
101 HA2 GLY 19 1HA GLY 19 2.434 -4.294 6.895
102 HA3 GLY 19 2HA GLY 19 3.305 -5.366 7.982
103 H LYS 20 H LYS 20 1.689 -2.379 8.910
104 HA LYS 20 HA LYS 20 0.193 -3.786 10.931
105 HB2 LYS 20 1HB LYS 20 1.244 -1.378 10.992
106 HB3 LYS 20 2HB LYS 20 -0.280 -0.910 10.252
107 HG2 LYS 20 1HG LYS 20 -1.515 -1.767 12.129
108 HG3 LYS 20 2HG LYS 20 -0.038 -2.412 12.850
109 HD2 LYS 20 1HD LYS 20 0.822 -0.222 13.233
110 HD3 LYS 20 2HD LYS 20 -0.459 0.515 12.268
111 HE2 LYS 20 1HE LYS 20 -1.021 0.858 14.551
112 HE3 LYS 20 2HE LYS 20 -2.100 -0.394 13.937
113 HZ1 LYS 20 3HZ LYS 20 -0.244 -1.953 14.868
114 HZ2 LYS 20 1HZ LYS 20 -1.429 -1.320 15.896
115 HZ3 LYS 20 2HZ LYS 20 0.110 -0.622 15.850
116 H ALA 21 H ALA 21 -1.952 -4.241 10.963
117 HA ALA 21 HA ALA 21 -3.382 -3.965 8.433
118 HB1 ALA 21 3HB ALA 21 -4.403 -5.449 10.828
119 HB2 ALA 21 1HB ALA 21 -4.755 -5.716 9.120
120 HB3 ALA 21 2HB ALA 21 -3.174 -6.148 9.773
121 H PHE 22 H PHE 22 -5.018 -2.592 8.123
122 HA PHE 22 HA PHE 22 -6.160 -1.242 10.480
123 HB2 PHE 22 1HB PHE 22 -5.764 -0.035 7.735
124 HB3 PHE 22 2HB PHE 22 -6.374 0.789 9.167
125 HD1 PHE 22 HD1 PHE 22 -4.851 1.232 11.072
126 HD2 PHE 22 HD2 PHE 22 -3.446 -0.305 7.360
127 HE1 PHE 22 HE1 PHE 22 -2.557 1.889 11.672
128 HE2 PHE 22 HE2 PHE 22 -1.150 0.348 7.954
129 HZ PHE 22 HZ PHE 22 -0.703 1.446 10.113
130 H ILE 23 H ILE 23 -8.277 -0.004 9.642
131 HA ILE 23 HA ILE 23 -9.974 -2.124 8.539
132 HB ILE 23 HB ILE 23 -10.682 -1.259 10.694
133 HG12 ILE 23 1HG1 ILE 23 -12.980 -0.293 9.909
134 HG13 ILE 23 2HG1 ILE 23 -12.376 -0.646 8.294
135 HG21 ILE 23 1HG2 ILE 23 -10.802 1.420 9.316
136 HG22 ILE 23 2HG2 ILE 23 -11.419 1.083 10.933
137 HG23 ILE 23 3HG2 ILE 23 -9.693 0.945 10.602
138 HD11 ILE 23 3HD1 ILE 23 -12.365 -2.747 10.419
139 HD12 ILE 23 1HD1 ILE 23 -13.825 -2.394 9.494
140 HD13 ILE 23 2HD1 ILE 23 -12.364 -2.931 8.665
141 H GLN 24 H GLN 24 -9.176 1.294 8.115
142 HA GLN 24 HA GLN 24 -10.581 1.231 5.526
143 HB2 GLN 24 1HB GLN 24 -9.985 3.589 7.320
144 HB3 GLN 24 2HB GLN 24 -10.720 3.702 5.726
145 HG2 GLN 24 1HG GLN 24 -12.720 2.849 6.432
146 HG3 GLN 24 2HG GLN 24 -11.992 1.947 7.760
147 HE21 GLN 24 1HE2 GLN 24 -13.084 2.674 9.474
148 HE22 GLN 24 2HE2 GLN 24 -13.185 4.330 9.957
149 H LYS 25 H LYS 25 -9.593 2.292 3.740
150 HA LYS 25 HA LYS 25 -6.843 1.791 3.467
151 HB2 LYS 25 1HB LYS 25 -8.736 2.070 1.677
152 HB3 LYS 25 2HB LYS 25 -8.260 3.763 1.710
153 HG2 LYS 25 1HG LYS 25 -6.134 1.716 1.377
154 HG3 LYS 25 2HG LYS 25 -7.198 2.055 0.010
155 HD2 LYS 25 1HD LYS 25 -6.658 4.518 0.431
156 HD3 LYS 25 2HD LYS 25 -5.346 3.929 1.455
157 HE2 LYS 25 1HE LYS 25 -4.673 2.514 -0.583
158 HE3 LYS 25 2HE LYS 25 -5.731 3.586 -1.501
159 HZ1 LYS 25 3HZ LYS 25 -4.303 5.298 -1.315
160 HZ2 LYS 25 1HZ LYS 25 -3.156 4.076 -1.082
161 HZ3 LYS 25 2HZ LYS 25 -3.812 4.885 0.251
162 H SER 26 H SER 26 -8.613 4.848 3.870
163 HA SER 26 HA SER 26 -6.434 6.580 3.748
164 HB2 SER 26 1HB SER 26 -8.776 7.341 3.703
165 HB3 SER 26 2HB SER 26 -8.956 6.885 5.397
166 HG SER 26 HG SER 26 -7.176 8.840 4.362
167 H THR 27 H THR 27 -7.950 5.099 6.608
168 HA THR 27 HA THR 27 -6.514 6.144 8.649
169 HB THR 27 HB THR 27 -7.132 3.197 8.358
170 HG1 THR 27 HG1 THR 27 -8.972 4.080 9.782
171 HG21 THR 27 3HG2 THR 27 -6.102 4.863 10.565
172 HG22 THR 27 1HG2 THR 27 -5.922 3.134 10.270
173 HG23 THR 27 2HG2 THR 27 -7.409 3.757 10.986
174 H LEU 28 H LEU 28 -5.404 3.654 6.403
175 HA LEU 28 HA LEU 28 -2.956 3.106 7.711
176 HB2 LEU 28 1HB LEU 28 -3.512 1.455 6.229
177 HB3 LEU 28 2HB LEU 28 -4.102 2.592 5.019
178 HG LEU 28 HG LEU 28 -1.702 3.190 4.560
179 HD11 LEU 28 1HD1 LEU 28 -0.963 2.190 6.805
180 HD12 LEU 28 2HD1 LEU 28 0.057 1.912 5.394
181 HD13 LEU 28 3HD1 LEU 28 -1.015 0.637 5.971
182 HD21 LEU 28 3HD2 LEU 28 -1.675 1.674 2.900
183 HD22 LEU 28 1HD2 LEU 28 -3.268 1.240 3.519
184 HD23 LEU 28 2HD2 LEU 28 -1.851 0.308 4.002
185 H SER 29 H SER 29 -3.709 5.140 4.885
186 HA SER 29 HA SER 29 -1.220 6.092 4.271
187 HB2 SER 29 1HB SER 29 -3.210 6.659 2.966
188 HB3 SER 29 2HB SER 29 -3.809 7.664 4.285
189 HG SER 29 HG SER 29 -1.808 8.892 4.007
190 H MET 30 H MET 30 -3.419 7.336 6.762
191 HA MET 30 HA MET 30 -1.839 9.500 7.589
192 HB2 MET 30 1HB MET 30 -3.669 7.884 9.364
193 HB3 MET 30 2HB MET 30 -3.213 9.572 9.552
194 HG2 MET 30 1HG MET 30 -4.881 8.437 7.319
195 HG3 MET 30 2HG MET 30 -5.483 9.337 8.709
196 HE1 MET 30 3HE MET 30 -3.875 12.859 8.131
197 HE2 MET 30 1HE MET 30 -5.231 12.072 8.940
198 HE3 MET 30 2HE MET 30 -3.584 11.520 9.242
199 H HIS 31 H HIS 31 -1.615 6.100 8.239
200 HA HIS 31 HA HIS 31 0.171 6.420 10.489
201 HB2 HIS 31 1HB HIS 31 -1.000 4.468 10.782
202 HB3 HIS 31 2HB HIS 31 -1.078 4.130 9.055
203 HD1 HIS 31 HD1 HIS 31 0.906 3.440 12.096
204 HD2 HIS 31 HD2 HIS 31 1.245 2.851 7.997
205 HE1 HIS 31 HE1 HIS 31 2.769 1.775 11.807
206 H GLN 32 H GLN 32 0.438 5.172 7.165
207 HA GLN 32 HA GLN 32 3.015 4.440 6.969
208 HB2 GLN 32 1HB GLN 32 1.205 5.876 5.097
209 HB3 GLN 32 2HB GLN 32 2.907 5.784 4.663
210 HG2 GLN 32 1HG GLN 32 2.530 3.229 5.254
211 HG3 GLN 32 2HG GLN 32 0.870 3.643 4.830
212 HE21 GLN 32 1HE2 GLN 32 0.425 3.124 2.823
213 HE22 GLN 32 2HE2 GLN 32 1.489 3.261 1.469
214 H ARG 33 H ARG 33 1.881 7.661 7.563
215 HA ARG 33 HA ARG 33 4.060 9.195 6.800
216 HB2 ARG 33 1HB ARG 33 3.182 10.896 8.120
217 HB3 ARG 33 2HB ARG 33 1.771 9.898 7.796
218 HG2 ARG 33 1HG ARG 33 1.990 8.854 9.984
219 HG3 ARG 33 2HG ARG 33 3.429 9.822 10.309
220 HD2 ARG 33 1HD ARG 33 0.885 11.188 9.557
221 HD3 ARG 33 2HD ARG 33 1.079 10.571 11.198
222 HE ARG 33 HE ARG 33 2.680 12.192 11.602
223 HH11 ARG 33 1HH1 ARG 33 1.770 12.184 8.241
224 HH12 ARG 33 2HH1 ARG 33 2.548 13.692 7.892
225 HH21 ARG 33 1HH2 ARG 33 3.708 14.178 11.155
226 HH22 ARG 33 2HH2 ARG 33 3.651 14.825 9.550
227 H ILE 34 H ILE 34 3.487 7.559 9.904
228 HA ILE 34 HA ILE 34 5.643 8.364 11.363
229 HB ILE 34 HB ILE 34 5.516 6.351 12.615
230 HG12 ILE 34 1HG1 ILE 34 3.948 5.055 10.386
231 HG13 ILE 34 2HG1 ILE 34 5.691 4.872 10.552
232 HG21 ILE 34 1HG2 ILE 34 2.738 6.120 11.965
233 HG22 ILE 34 2HG2 ILE 34 3.496 6.881 13.363
234 HG23 ILE 34 3HG2 ILE 34 3.229 7.812 11.890
235 HD11 ILE 34 3HD1 ILE 34 4.530 2.974 11.497
236 HD12 ILE 34 1HD1 ILE 34 5.365 3.877 12.761
237 HD13 ILE 34 2HD1 ILE 34 3.619 4.039 12.568
238 H HIS 35 H HIS 35 5.641 6.252 8.593
239 HA HIS 35 HA HIS 35 8.333 5.314 8.991
240 HB2 HIS 35 1HB HIS 35 6.398 5.111 6.684
241 HB3 HIS 35 2HB HIS 35 8.033 4.460 6.613
242 HD1 HIS 35 HD1 HIS 35 8.555 2.657 8.630
243 HD2 HIS 35 HD2 HIS 35 4.577 3.362 7.660
244 HE1 HIS 35 HE1 HIS 35 7.279 0.699 9.559
245 H ARG 36 H ARG 36 6.737 7.780 7.038
246 HA ARG 36 HA ARG 36 9.365 8.681 6.077
247 HB2 ARG 36 1HB ARG 36 8.110 9.938 4.367
248 HB3 ARG 36 2HB ARG 36 7.776 8.213 4.300
249 HG2 ARG 36 1HG ARG 36 5.734 8.793 5.776
250 HG3 ARG 36 2HG ARG 36 6.012 10.443 5.215
251 HD2 ARG 36 1HD ARG 36 5.886 8.197 3.247
252 HD3 ARG 36 2HD ARG 36 4.396 8.871 3.906
253 HE ARG 36 HE ARG 36 6.251 10.808 2.824
254 HH11 ARG 36 1HH1 ARG 36 3.513 8.744 2.220
255 HH12 ARG 36 2HH1 ARG 36 2.959 9.659 0.857
256 HH21 ARG 36 1HH2 ARG 36 5.532 12.019 1.030
257 HH22 ARG 36 2HH2 ARG 36 4.109 11.521 0.180
258 H GLY 37 H GLY 37 10.022 9.847 7.887
259 HA2 GLY 37 1HA GLY 37 8.418 12.268 8.438
260 HA3 GLY 37 2HA GLY 37 9.284 11.401 9.698
261 H GLU 38 H GLU 38 11.661 11.284 9.473
262 HA GLU 38 HA GLU 38 12.674 13.885 8.671
263 HB2 GLU 38 1HB GLU 38 14.804 13.016 9.749
264 HB3 GLU 38 2HB GLU 38 13.416 13.210 10.810
265 HG2 GLU 38 1HG GLU 38 13.045 10.903 10.935
266 HG3 GLU 38 2HG GLU 38 14.076 10.576 9.543
267 H LYS 39 H LYS 39 12.222 13.208 6.359
268 HA LYS 39 HA LYS 39 12.854 12.252 4.346
269 HB2 LYS 39 1HB LYS 39 15.378 13.553 5.380
270 HB3 LYS 39 2HB LYS 39 15.137 13.055 3.711
271 HG2 LYS 39 1HG LYS 39 13.588 14.714 3.298
272 HG3 LYS 39 2HG LYS 39 13.187 14.908 5.006
273 HD2 LYS 39 1HD LYS 39 15.388 15.908 5.405
274 HD3 LYS 39 2HD LYS 39 15.785 15.715 3.696
275 HE2 LYS 39 1HE LYS 39 13.404 17.287 4.654
276 HE3 LYS 39 2HE LYS 39 14.994 18.011 4.419
277 HZ1 LYS 39 3HZ LYS 39 14.249 18.358 2.351
278 HZ2 LYS 39 1HZ LYS 39 13.039 17.180 2.461
279 HZ3 LYS 39 2HZ LYS 39 14.627 16.729 2.094
280 HA PRO 40 HA PRO 40 15.075 8.604 6.378
281 HB2 PRO 40 1HB PRO 40 13.009 6.848 6.241
282 HB3 PRO 40 2HB PRO 40 13.278 7.909 7.629
283 HG2 PRO 40 1HG PRO 40 11.386 8.237 5.333
284 HG3 PRO 40 2HG PRO 40 11.110 8.527 7.061
285 HD2 PRO 40 1HD PRO 40 11.618 10.529 5.310
286 HD3 PRO 40 2HD PRO 40 12.137 10.590 7.007
287 H SER 41 H SER 41 12.581 8.424 3.830
288 HA SER 41 HA SER 41 14.574 7.230 2.044
289 HB2 SER 41 1HB SER 41 11.806 6.098 2.516
290 HB3 SER 41 2HB SER 41 12.931 5.546 1.275
291 HG SER 41 HG SER 41 12.776 4.615 3.661
292 H GLY 42 H GLY 42 14.006 7.369 -0.225
293 HA2 GLY 42 1HA GLY 42 12.320 9.725 -0.741
294 HA3 GLY 42 2HA GLY 42 13.621 9.156 -1.777
295 HA PRO 43 HA PRO 43 9.358 7.634 -3.198
296 HB2 PRO 43 1HB PRO 43 9.147 9.175 -5.424
297 HB3 PRO 43 2HB PRO 43 8.535 9.680 -3.844
298 HG2 PRO 43 1HG PRO 43 11.092 10.423 -5.212
299 HG3 PRO 43 2HG PRO 43 9.964 11.454 -4.312
300 HD2 PRO 43 1HD PRO 43 12.265 10.523 -3.231
301 HD3 PRO 43 2HD PRO 43 10.801 10.800 -2.267
302 H SER 44 H SER 44 12.544 7.681 -4.113
303 HA SER 44 HA SER 44 12.749 6.890 -6.711
304 HB2 SER 44 1HB SER 44 14.555 7.064 -4.825
305 HB3 SER 44 2HB SER 44 14.253 5.337 -4.628
306 HG SER 44 HG SER 44 15.965 5.969 -6.153
307 H SER 45 H SER 45 12.266 4.636 -3.987
308 HA SER 45 HA SER 45 12.053 2.248 -5.148
309 HB2 SER 45 1HB SER 45 10.266 3.480 -3.063
310 HB3 SER 45 2HB SER 45 10.030 1.814 -3.589
311 HG SER 45 HG SER 45 11.420 2.009 -1.752
312 H GLY 46 H GLY 46 9.209 4.404 -4.953
313 HA2 GLY 46 1HA GLY 46 7.866 4.877 -6.896
314 HA3 GLY 46 2HA GLY 46 8.332 3.311 -7.544
Start of MODEL 14
1 H1 GLY 1 H GLY 1 2.353 -14.042 -21.613
2 HA2 GLY 1 1HA GLY 1 2.825 -16.498 -20.119
3 HA3 GLY 1 2HA GLY 1 2.968 -14.858 -19.503
4 H SER 2 H SER 2 1.762 -15.228 -17.658
5 HA SER 2 HA SER 2 -1.106 -15.722 -18.121
6 HB2 SER 2 1HB SER 2 -1.263 -16.920 -16.071
7 HB3 SER 2 2HB SER 2 0.158 -17.563 -16.895
8 HG SER 2 HG SER 2 1.151 -15.667 -15.527
9 H SER 3 H SER 3 -2.571 -14.644 -16.678
10 HA SER 3 HA SER 3 -1.749 -12.710 -14.791
11 HB2 SER 3 1HB SER 3 -2.460 -10.676 -16.106
12 HB3 SER 3 2HB SER 3 -0.950 -11.412 -16.643
13 HG SER 3 HG SER 3 -3.489 -11.910 -17.811
14 H GLY 4 H GLY 4 -3.523 -11.601 -13.817
15 HA2 GLY 4 1HA GLY 4 -6.196 -12.377 -14.749
16 HA3 GLY 4 2HA GLY 4 -5.720 -12.822 -13.117
17 H SER 5 H SER 5 -7.449 -11.569 -12.286
18 HA SER 5 HA SER 5 -6.718 -8.801 -11.865
19 HB2 SER 5 1HB SER 5 -8.987 -7.965 -12.515
20 HB3 SER 5 2HB SER 5 -8.034 -8.552 -13.878
21 HG SER 5 HG SER 5 -9.519 -10.526 -12.749
22 H SER 6 H SER 6 -8.489 -7.744 -10.408
23 HA SER 6 HA SER 6 -9.972 -9.542 -8.730
24 HB2 SER 6 1HB SER 6 -8.746 -9.089 -6.657
25 HB3 SER 6 2HB SER 6 -7.695 -9.873 -7.837
26 HG SER 6 HG SER 6 -6.454 -8.191 -7.767
27 H GLY 7 H GLY 7 -11.423 -8.476 -7.365
28 HA2 GLY 7 1HA GLY 7 -12.184 -5.867 -8.209
29 HA3 GLY 7 2HA GLY 7 -12.904 -6.780 -6.892
30 H THR 8 H THR 8 -13.054 -5.014 -5.520
31 HA THR 8 HA THR 8 -11.018 -3.184 -4.960
32 HB THR 8 HB THR 8 -13.259 -2.689 -4.257
33 HG1 THR 8 HG1 THR 8 -12.826 -2.127 -2.066
34 HG21 THR 8 3HG2 THR 8 -13.773 -4.207 -1.998
35 HG22 THR 8 1HG2 THR 8 -13.134 -5.376 -3.153
36 HG23 THR 8 2HG2 THR 8 -14.538 -4.394 -3.575
37 H GLY 9 H GLY 9 -11.137 -6.470 -4.274
38 HA2 GLY 9 1HA GLY 9 -9.480 -7.756 -3.267
39 HA3 GLY 9 2HA GLY 9 -8.744 -6.282 -2.658
40 H GLU 10 H GLU 10 -10.928 -8.873 -2.007
41 HA GLU 10 HA GLU 10 -12.407 -8.054 0.126
42 HB2 GLU 10 1HB GLU 10 -11.099 -10.644 -0.558
43 HB3 GLU 10 2HB GLU 10 -11.808 -10.473 1.041
44 HG2 GLU 10 1HG GLU 10 -13.546 -11.374 -0.155
45 HG3 GLU 10 2HG GLU 10 -13.899 -9.649 -0.248
46 H ARG 11 H ARG 11 -9.006 -9.049 0.191
47 HA ARG 11 HA ARG 11 -8.571 -8.961 2.932
48 HB2 ARG 11 1HB ARG 11 -6.205 -8.619 2.393
49 HB3 ARG 11 2HB ARG 11 -6.926 -9.836 1.348
50 HG2 ARG 11 1HG ARG 11 -6.880 -8.449 -0.512
51 HG3 ARG 11 2HG ARG 11 -6.734 -6.985 0.463
52 HD2 ARG 11 1HD ARG 11 -4.472 -7.567 1.071
53 HD3 ARG 11 2HD ARG 11 -4.612 -9.115 0.239
54 HE ARG 11 HE ARG 11 -5.133 -7.075 -1.602
55 HH11 ARG 11 1HH1 ARG 11 -2.494 -8.328 0.292
56 HH12 ARG 11 2HH1 ARG 11 -1.276 -7.830 -0.836
57 HH21 ARG 11 1HH2 ARG 11 -3.539 -6.414 -3.094
58 HH22 ARG 11 2HH2 ARG 11 -1.872 -6.741 -2.761
59 H HIS 12 H HIS 12 -7.601 -7.354 4.280
60 HA HIS 12 HA HIS 12 -8.671 -4.715 3.785
61 HB2 HIS 12 1HB HIS 12 -7.494 -4.327 6.099
62 HB3 HIS 12 2HB HIS 12 -8.972 -5.280 6.008
63 HD1 HIS 12 HD1 HIS 12 -8.379 -6.613 8.129
64 HD2 HIS 12 HD2 HIS 12 -5.582 -6.968 5.077
65 HE1 HIS 12 HE1 HIS 12 -6.886 -8.521 8.804
66 H TYR 13 H TYR 13 -7.159 -2.835 4.557
67 HA TYR 13 HA TYR 13 -4.863 -2.902 2.779
68 HB2 TYR 13 1HB TYR 13 -6.043 -0.632 4.394
69 HB3 TYR 13 2HB TYR 13 -4.743 -0.474 3.219
70 HD1 TYR 13 HD2 TYR 13 -8.252 -1.733 3.462
71 HD2 TYR 13 HD1 TYR 13 -5.279 0.126 1.051
72 HE1 TYR 13 HE2 TYR 13 -9.912 -1.405 1.677
73 HE2 TYR 13 HE1 TYR 13 -6.932 0.461 -0.740
74 HH TYR 13 HH TYR 13 -10.205 0.211 -0.289
75 H GLU 14 H GLU 14 -2.982 -3.606 3.528
76 HA GLU 14 HA GLU 14 -2.296 -3.088 6.343
77 HB2 GLU 14 1HB GLU 14 -1.651 -5.319 4.464
78 HB3 GLU 14 2HB GLU 14 -0.501 -4.929 5.735
79 HG2 GLU 14 1HG GLU 14 -1.896 -5.616 7.406
80 HG3 GLU 14 2HG GLU 14 -3.355 -5.286 6.475
81 H CYS 15 H CYS 15 -0.275 -2.263 6.879
82 HA CYS 15 HA CYS 15 0.867 -0.487 4.956
83 HB2 CYS 15 1HB CYS 15 0.711 0.014 7.394
84 HB3 CYS 15 2HB CYS 15 1.921 -1.230 7.692
85 H SER 16 H SER 16 2.323 -0.986 3.472
86 HA SER 16 HA SER 16 3.762 -3.489 3.598
87 HB2 SER 16 1HB SER 16 2.731 -2.408 1.493
88 HB3 SER 16 2HB SER 16 4.152 -1.364 1.498
89 HG SER 16 HG SER 16 4.358 -3.311 0.217
90 H GLU 17 H GLU 17 4.463 -1.694 5.662
91 HA GLU 17 HA GLU 17 7.287 -1.229 4.987
92 HB2 GLU 17 1HB GLU 17 5.477 0.600 6.570
93 HB3 GLU 17 2HB GLU 17 7.226 0.765 6.502
94 HG2 GLU 17 1HG GLU 17 5.733 0.679 3.940
95 HG3 GLU 17 2HG GLU 17 5.630 2.141 4.920
96 H CYS 18 H CYS 18 5.061 -1.259 7.776
97 HA CYS 18 HA CYS 18 7.145 -2.545 9.378
98 HB2 CYS 18 1HB CYS 18 5.478 -2.127 11.263
99 HB3 CYS 18 2HB CYS 18 6.194 -0.702 10.516
100 H GLY 19 H GLY 19 3.705 -2.980 8.557
101 HA2 GLY 19 1HA GLY 19 3.158 -5.302 7.796
102 HA3 GLY 19 2HA GLY 19 4.027 -5.841 9.226
103 H LYS 20 H LYS 20 1.743 -3.152 8.932
104 HA LYS 20 HA LYS 20 0.066 -4.483 10.952
105 HB2 LYS 20 1HB LYS 20 1.208 -2.111 11.256
106 HB3 LYS 20 2HB LYS 20 -0.198 -1.572 10.349
107 HG2 LYS 20 1HG LYS 20 -1.673 -2.543 12.018
108 HG3 LYS 20 2HG LYS 20 -0.278 -3.143 12.917
109 HD2 LYS 20 1HD LYS 20 0.431 -0.948 13.460
110 HD3 LYS 20 2HD LYS 20 -0.685 -0.225 12.299
111 HE2 LYS 20 1HE LYS 20 -1.563 -1.809 14.707
112 HE3 LYS 20 2HE LYS 20 -1.386 -0.055 14.703
113 HZ1 LYS 20 3HZ LYS 20 -3.047 0.099 12.982
114 HZ2 LYS 20 1HZ LYS 20 -3.676 -0.767 14.292
115 HZ3 LYS 20 2HZ LYS 20 -3.180 -1.585 12.898
116 H ALA 21 H ALA 21 -2.289 -3.923 10.825
117 HA ALA 21 HA ALA 21 -3.168 -3.750 8.016
118 HB1 ALA 21 3HB ALA 21 -4.903 -5.339 8.453
119 HB2 ALA 21 1HB ALA 21 -3.374 -6.033 8.993
120 HB3 ALA 21 2HB ALA 21 -4.508 -5.374 10.172
121 H PHE 22 H PHE 22 -4.969 -2.528 7.565
122 HA PHE 22 HA PHE 22 -6.260 -1.143 9.811
123 HB2 PHE 22 1HB PHE 22 -5.494 0.268 7.256
124 HB3 PHE 22 2HB PHE 22 -6.088 0.984 8.751
125 HD1 PHE 22 HD2 PHE 22 -3.256 -1.118 7.536
126 HD2 PHE 22 HD1 PHE 22 -4.565 1.976 10.149
127 HE1 PHE 22 HE2 PHE 22 -0.938 -0.776 8.287
128 HE2 PHE 22 HE1 PHE 22 -2.249 2.324 10.903
129 HZ PHE 22 HZ PHE 22 -0.432 0.946 9.973
130 H ILE 23 H ILE 23 -8.423 -0.860 9.622
131 HA ILE 23 HA ILE 23 -9.816 -2.350 7.638
132 HB ILE 23 HB ILE 23 -10.744 -2.149 9.865
133 HG12 ILE 23 1HG1 ILE 23 -13.041 -1.087 9.163
134 HG13 ILE 23 2HG1 ILE 23 -12.295 -1.003 7.571
135 HG21 ILE 23 1HG2 ILE 23 -9.918 0.028 10.483
136 HG22 ILE 23 2HG2 ILE 23 -10.934 0.798 9.266
137 HG23 ILE 23 3HG2 ILE 23 -11.672 0.004 10.657
138 HD11 ILE 23 3HD1 ILE 23 -12.162 -3.311 7.378
139 HD12 ILE 23 1HD1 ILE 23 -12.341 -3.563 9.114
140 HD13 ILE 23 2HD1 ILE 23 -13.725 -3.046 8.151
141 H GLN 24 H GLN 24 -9.333 1.110 8.217
142 HA GLN 24 HA GLN 24 -10.660 1.689 5.661
143 HB2 GLN 24 1HB GLN 24 -10.154 3.302 8.133
144 HB3 GLN 24 2HB GLN 24 -10.398 4.120 6.596
145 HG2 GLN 24 1HG GLN 24 -12.556 2.897 6.369
146 HG3 GLN 24 2HG GLN 24 -12.316 2.282 8.003
147 HE21 GLN 24 1HE2 GLN 24 -13.177 4.992 6.062
148 HE22 GLN 24 2HE2 GLN 24 -13.643 6.043 7.351
149 H LYS 25 H LYS 25 -9.598 2.636 3.994
150 HA LYS 25 HA LYS 25 -6.824 2.361 3.778
151 HB2 LYS 25 1HB LYS 25 -8.191 2.392 1.801
152 HB3 LYS 25 2HB LYS 25 -8.776 4.009 2.168
153 HG2 LYS 25 1HG LYS 25 -7.205 4.333 0.483
154 HG3 LYS 25 2HG LYS 25 -6.337 4.743 1.964
155 HD2 LYS 25 1HD LYS 25 -5.273 2.571 1.985
156 HD3 LYS 25 2HD LYS 25 -6.216 2.063 0.582
157 HE2 LYS 25 1HE LYS 25 -4.532 4.514 0.382
158 HE3 LYS 25 2HE LYS 25 -3.748 2.936 0.319
159 HZ1 LYS 25 3HZ LYS 25 -4.210 3.456 -1.888
160 HZ2 LYS 25 1HZ LYS 25 -5.748 4.067 -1.539
161 HZ3 LYS 25 2HZ LYS 25 -5.462 2.402 -1.463
162 H SER 26 H SER 26 -8.803 5.239 4.401
163 HA SER 26 HA SER 26 -6.797 7.158 4.379
164 HB2 SER 26 1HB SER 26 -9.329 7.014 6.027
165 HB3 SER 26 2HB SER 26 -8.304 8.446 5.933
166 HG SER 26 HG SER 26 -9.828 7.223 3.898
167 H THR 27 H THR 27 -7.938 5.143 7.066
168 HA THR 27 HA THR 27 -6.339 6.238 9.081
169 HB THR 27 HB THR 27 -7.293 3.380 8.818
170 HG1 THR 27 HG1 THR 27 -8.875 4.369 10.422
171 HG21 THR 27 3HG2 THR 27 -5.598 4.627 10.748
172 HG22 THR 27 1HG2 THR 27 -6.204 2.971 10.718
173 HG23 THR 27 2HG2 THR 27 -7.139 4.239 11.512
174 H LEU 28 H LEU 28 -5.553 4.105 6.473
175 HA LEU 28 HA LEU 28 -3.074 3.196 7.647
176 HB2 LEU 28 1HB LEU 28 -3.825 1.563 6.261
177 HB3 LEU 28 2HB LEU 28 -4.581 2.704 5.150
178 HG LEU 28 HG LEU 28 -2.281 3.250 4.300
179 HD11 LEU 28 1HD1 LEU 28 -1.521 1.657 6.511
180 HD12 LEU 28 2HD1 LEU 28 -0.487 2.463 5.332
181 HD13 LEU 28 3HD1 LEU 28 -1.028 0.809 5.046
182 HD21 LEU 28 3HD2 LEU 28 -3.902 1.655 3.223
183 HD22 LEU 28 1HD2 LEU 28 -3.013 0.345 4.001
184 HD23 LEU 28 2HD2 LEU 28 -2.203 1.387 2.831
185 H SER 29 H SER 29 -3.951 5.191 4.824
186 HA SER 29 HA SER 29 -1.443 5.982 4.029
187 HB2 SER 29 1HB SER 29 -3.759 6.530 3.009
188 HB3 SER 29 2HB SER 29 -3.728 7.942 4.066
189 HG SER 29 HG SER 29 -1.439 8.058 2.984
190 H MET 30 H MET 30 -3.429 7.319 6.624
191 HA MET 30 HA MET 30 -1.699 9.493 7.220
192 HB2 MET 30 1HB MET 30 -3.043 9.823 9.173
193 HB3 MET 30 2HB MET 30 -4.117 9.353 7.863
194 HG2 MET 30 1HG MET 30 -4.265 7.112 8.724
195 HG3 MET 30 2HG MET 30 -3.074 7.477 9.970
196 HE1 MET 30 3HE MET 30 -4.611 6.273 11.312
197 HE2 MET 30 1HE MET 30 -4.742 7.464 12.607
198 HE3 MET 30 2HE MET 30 -6.200 6.785 11.883
199 H HIS 31 H HIS 31 -1.825 6.146 8.190
200 HA HIS 31 HA HIS 31 -0.055 6.413 10.421
201 HB2 HIS 31 1HB HIS 31 -1.320 4.502 10.637
202 HB3 HIS 31 2HB HIS 31 -1.275 4.147 8.913
203 HD1 HIS 31 HD1 HIS 31 0.610 3.607 12.087
204 HD2 HIS 31 HD2 HIS 31 0.933 2.638 8.060
205 HE1 HIS 31 HE1 HIS 31 2.409 1.854 11.960
206 H GLN 32 H GLN 32 0.354 5.037 7.155
207 HA GLN 32 HA GLN 32 2.961 4.328 7.158
208 HB2 GLN 32 1HB GLN 32 1.195 5.511 5.082
209 HB3 GLN 32 2HB GLN 32 2.916 5.449 4.728
210 HG2 GLN 32 1HG GLN 32 2.970 3.110 4.846
211 HG3 GLN 32 2HG GLN 32 1.402 3.031 5.647
212 HE21 GLN 32 1HE2 GLN 32 2.608 1.967 3.047
213 HE22 GLN 32 2HE2 GLN 32 1.408 2.345 1.862
214 H ARG 33 H ARG 33 1.727 7.539 7.455
215 HA ARG 33 HA ARG 33 3.797 9.128 6.592
216 HB2 ARG 33 1HB ARG 33 2.925 10.831 7.929
217 HB3 ARG 33 2HB ARG 33 1.541 9.778 7.664
218 HG2 ARG 33 1HG ARG 33 1.859 8.780 9.859
219 HG3 ARG 33 2HG ARG 33 3.278 9.796 10.124
220 HD2 ARG 33 1HD ARG 33 1.611 11.744 9.619
221 HD3 ARG 33 2HD ARG 33 0.388 10.547 10.045
222 HE ARG 33 HE ARG 33 2.537 10.858 11.958
223 HH11 ARG 33 1HH1 ARG 33 -0.663 11.821 10.982
224 HH12 ARG 33 2HH1 ARG 33 -1.117 12.380 12.558
225 HH21 ARG 33 1HH2 ARG 33 1.951 11.591 14.037
226 HH22 ARG 33 2HH2 ARG 33 0.371 12.249 14.295
227 H ILE 34 H ILE 34 3.484 7.510 9.737
228 HA ILE 34 HA ILE 34 5.712 8.498 11.022
229 HB ILE 34 HB ILE 34 5.732 6.502 12.373
230 HG12 ILE 34 1HG1 ILE 34 3.685 5.165 10.654
231 HG13 ILE 34 2HG1 ILE 34 5.379 5.053 10.190
232 HG21 ILE 34 1HG2 ILE 34 3.981 7.735 13.143
233 HG22 ILE 34 2HG2 ILE 34 3.136 7.705 11.596
234 HG23 ILE 34 3HG2 ILE 34 3.102 6.289 12.646
235 HD11 ILE 34 3HD1 ILE 34 4.000 3.958 12.596
236 HD12 ILE 34 1HD1 ILE 34 5.072 3.153 11.450
237 HD13 ILE 34 2HD1 ILE 34 5.733 4.281 12.634
238 H HIS 35 H HIS 35 5.569 6.410 8.294
239 HA HIS 35 HA HIS 35 8.301 5.469 8.612
240 HB2 HIS 35 1HB HIS 35 6.240 5.011 6.450
241 HB3 HIS 35 2HB HIS 35 7.861 4.325 6.421
242 HD1 HIS 35 HD1 HIS 35 8.326 2.325 7.942
243 HD2 HIS 35 HD2 HIS 35 4.497 3.880 8.368
244 HE1 HIS 35 HE1 HIS 35 7.063 0.635 9.310
245 H ARG 36 H ARG 36 6.458 7.698 6.597
246 HA ARG 36 HA ARG 36 8.278 8.332 4.644
247 HB2 ARG 36 1HB ARG 36 6.292 10.058 6.110
248 HB3 ARG 36 2HB ARG 36 7.260 10.680 4.781
249 HG2 ARG 36 1HG ARG 36 6.331 8.755 3.407
250 HG3 ARG 36 2HG ARG 36 5.168 8.533 4.715
251 HD2 ARG 36 1HD ARG 36 5.522 10.900 2.901
252 HD3 ARG 36 2HD ARG 36 4.085 9.908 3.144
253 HE ARG 36 HE ARG 36 4.952 11.289 5.511
254 HH11 ARG 36 1HH1 ARG 36 3.053 11.506 2.602
255 HH12 ARG 36 2HH1 ARG 36 2.008 12.741 3.220
256 HH21 ARG 36 1HH2 ARG 36 3.582 12.915 6.337
257 HH22 ARG 36 2HH2 ARG 36 2.310 13.542 5.345
258 H GLY 37 H GLY 37 8.173 9.504 7.978
259 HA2 GLY 37 1HA GLY 37 10.670 10.989 7.505
260 HA3 GLY 37 2HA GLY 37 9.581 11.232 8.863
261 H GLU 38 H GLU 38 12.461 9.863 7.885
262 HA GLU 38 HA GLU 38 12.499 8.075 10.228
263 HB2 GLU 38 1HB GLU 38 13.940 7.834 7.587
264 HB3 GLU 38 2HB GLU 38 14.353 6.871 8.998
265 HG2 GLU 38 1HG GLU 38 12.011 6.027 9.022
266 HG3 GLU 38 2HG GLU 38 11.748 6.871 7.497
267 H LYS 39 H LYS 39 14.876 9.698 8.119
268 HA LYS 39 HA LYS 39 16.774 10.027 10.199
269 HB2 LYS 39 1HB LYS 39 17.302 9.957 7.751
270 HB3 LYS 39 2HB LYS 39 16.600 11.563 7.601
271 HG2 LYS 39 1HG LYS 39 18.281 12.391 9.229
272 HG3 LYS 39 2HG LYS 39 19.028 10.791 9.204
273 HD2 LYS 39 1HD LYS 39 19.782 11.033 7.034
274 HD3 LYS 39 2HD LYS 39 18.557 12.238 6.632
275 HE2 LYS 39 1HE LYS 39 20.819 12.727 8.561
276 HE3 LYS 39 2HE LYS 39 20.897 13.121 6.845
277 HZ1 LYS 39 3HZ LYS 39 19.805 14.994 7.224
278 HZ2 LYS 39 1HZ LYS 39 19.860 14.679 8.885
279 HZ3 LYS 39 2HZ LYS 39 18.530 14.172 7.972
280 HA PRO 40 HA PRO 40 15.193 13.607 12.230
281 HB2 PRO 40 1HB PRO 40 17.483 14.423 13.438
282 HB3 PRO 40 2HB PRO 40 16.556 13.020 13.984
283 HG2 PRO 40 1HG PRO 40 19.014 13.120 12.278
284 HG3 PRO 40 2HG PRO 40 18.624 12.022 13.615
285 HD2 PRO 40 1HD PRO 40 18.361 11.306 11.017
286 HD3 PRO 40 2HD PRO 40 17.294 10.682 12.292
287 H SER 41 H SER 41 14.700 14.964 10.484
288 HA SER 41 HA SER 41 16.423 16.270 8.782
289 HB2 SER 41 1HB SER 41 14.654 17.800 8.320
290 HB3 SER 41 2HB SER 41 13.882 16.267 8.725
291 HG SER 41 HG SER 41 13.797 17.198 10.945
292 H GLY 42 H GLY 42 17.926 17.795 8.997
293 HA2 GLY 42 1HA GLY 42 18.932 19.740 9.802
294 HA3 GLY 42 2HA GLY 42 17.714 19.818 11.066
295 HA PRO 43 HA PRO 43 21.897 17.912 12.469
296 HB2 PRO 43 1HB PRO 43 23.177 20.132 13.365
297 HB3 PRO 43 2HB PRO 43 23.363 19.515 11.719
298 HG2 PRO 43 1HG PRO 43 21.639 21.748 12.722
299 HG3 PRO 43 2HG PRO 43 22.644 21.678 11.262
300 HD2 PRO 43 1HD PRO 43 19.963 21.298 11.206
301 HD3 PRO 43 2HD PRO 43 21.068 20.479 10.083
302 H SER 44 H SER 44 22.734 18.002 14.735
303 HA SER 44 HA SER 44 22.074 17.560 16.909
304 HB2 SER 44 1HB SER 44 21.820 19.676 18.175
305 HB3 SER 44 2HB SER 44 23.159 19.743 17.030
306 HG SER 44 HG SER 44 21.104 21.384 17.204
307 H SER 45 H SER 45 19.961 16.916 15.211
308 HA SER 45 HA SER 45 17.598 17.949 16.628
309 HB2 SER 45 1HB SER 45 17.855 18.065 14.033
310 HB3 SER 45 2HB SER 45 17.444 16.351 14.090
311 HG SER 45 HG SER 45 15.449 16.860 14.506
312 H GLY 46 H GLY 46 15.743 16.160 16.478
313 HA2 GLY 46 1HA GLY 46 16.637 14.042 18.189
314 HA3 GLY 46 2HA GLY 46 14.996 14.294 17.614
Start of MODEL 15
1 H1 GLY 1 H GLY 1 1.971 -28.931 -13.860
2 HA2 GLY 1 1HA GLY 1 1.096 -26.822 -14.497
3 HA3 GLY 1 2HA GLY 1 0.080 -27.630 -15.681
4 H SER 2 H SER 2 0.186 -26.199 -12.643
5 HA SER 2 HA SER 2 -2.599 -26.859 -12.180
6 HB2 SER 2 1HB SER 2 -2.154 -27.490 -9.790
7 HB3 SER 2 2HB SER 2 -1.563 -28.665 -10.965
8 HG SER 2 HG SER 2 -0.069 -26.746 -9.513
9 H SER 3 H SER 3 -3.693 -25.258 -11.142
10 HA SER 3 HA SER 3 -2.425 -22.716 -10.924
11 HB2 SER 3 1HB SER 3 -4.677 -21.993 -10.034
12 HB3 SER 3 2HB SER 3 -4.718 -22.765 -11.619
13 HG SER 3 HG SER 3 -5.229 -24.081 -9.155
14 H GLY 4 H GLY 4 -2.780 -21.336 -8.910
15 HA2 GLY 4 1HA GLY 4 -2.949 -22.550 -6.358
16 HA3 GLY 4 2HA GLY 4 -1.261 -22.346 -6.803
17 H SER 5 H SER 5 -4.178 -20.337 -7.212
18 HA SER 5 HA SER 5 -2.780 -18.189 -5.762
19 HB2 SER 5 1HB SER 5 -3.680 -16.548 -7.320
20 HB3 SER 5 2HB SER 5 -2.764 -17.763 -8.210
21 HG SER 5 HG SER 5 -5.417 -17.135 -8.343
22 H SER 6 H SER 6 -4.172 -16.621 -4.741
23 HA SER 6 HA SER 6 -6.732 -17.813 -3.929
24 HB2 SER 6 1HB SER 6 -6.538 -16.633 -1.870
25 HB3 SER 6 2HB SER 6 -4.939 -17.303 -2.194
26 HG SER 6 HG SER 6 -4.505 -15.242 -1.721
27 H GLY 7 H GLY 7 -8.582 -16.445 -3.650
28 HA2 GLY 7 1HA GLY 7 -8.605 -14.247 -5.600
29 HA3 GLY 7 2HA GLY 7 -10.016 -15.126 -5.028
30 H THR 8 H THR 8 -10.979 -14.551 -3.078
31 HA THR 8 HA THR 8 -10.211 -11.886 -2.110
32 HB THR 8 HB THR 8 -12.508 -11.815 -1.129
33 HG1 THR 8 HG1 THR 8 -13.860 -13.550 -2.374
34 HG21 THR 8 3HG2 THR 8 -11.800 -11.072 -3.530
35 HG22 THR 8 1HG2 THR 8 -13.509 -11.125 -3.098
36 HG23 THR 8 2HG2 THR 8 -12.796 -12.434 -4.041
37 H GLY 9 H GLY 9 -8.543 -12.633 -0.714
38 HA2 GLY 9 1HA GLY 9 -9.439 -14.267 1.564
39 HA3 GLY 9 2HA GLY 9 -7.766 -14.014 1.090
40 H GLU 10 H GLU 10 -7.475 -11.362 0.918
41 HA GLU 10 HA GLU 10 -7.848 -10.526 3.691
42 HB2 GLU 10 1HB GLU 10 -6.124 -8.911 3.296
43 HB3 GLU 10 2HB GLU 10 -5.589 -10.443 2.619
44 HG2 GLU 10 1HG GLU 10 -6.327 -9.647 0.386
45 HG3 GLU 10 2HG GLU 10 -6.682 -8.081 1.112
46 H ARG 11 H ARG 11 -9.355 -9.113 4.264
47 HA ARG 11 HA ARG 11 -10.562 -7.429 2.168
48 HB2 ARG 11 1HB ARG 11 -11.749 -8.776 4.577
49 HB3 ARG 11 2HB ARG 11 -12.529 -7.376 3.855
50 HG2 ARG 11 1HG ARG 11 -12.472 -8.655 1.666
51 HG3 ARG 11 2HG ARG 11 -12.038 -10.069 2.628
52 HD2 ARG 11 1HD ARG 11 -14.393 -10.128 2.338
53 HD3 ARG 11 2HD ARG 11 -14.094 -9.636 4.004
54 HE ARG 11 HE ARG 11 -14.975 -7.556 3.528
55 HH11 ARG 11 1HH1 ARG 11 -14.577 -9.393 0.597
56 HH12 ARG 11 2HH1 ARG 11 -15.501 -8.293 -0.371
57 HH21 ARG 11 1HH2 ARG 11 -16.193 -6.101 2.263
58 HH22 ARG 11 2HH2 ARG 11 -16.419 -6.420 0.577
59 H HIS 12 H HIS 12 -8.242 -6.585 3.452
60 HA HIS 12 HA HIS 12 -9.133 -4.088 4.543
61 HB2 HIS 12 1HB HIS 12 -7.824 -4.336 6.678
62 HB3 HIS 12 2HB HIS 12 -9.287 -5.313 6.595
63 HD1 HIS 12 HD1 HIS 12 -9.022 -7.763 6.987
64 HD2 HIS 12 HD2 HIS 12 -5.397 -5.887 6.213
65 HE1 HIS 12 HE1 HIS 12 -7.261 -9.513 7.387
66 H TYR 13 H TYR 13 -7.361 -2.579 4.883
67 HA TYR 13 HA TYR 13 -5.227 -3.057 2.981
68 HB2 TYR 13 1HB TYR 13 -5.895 -0.598 4.612
69 HB3 TYR 13 2HB TYR 13 -4.685 -0.677 3.336
70 HD1 TYR 13 HD2 TYR 13 -8.270 -0.606 4.082
71 HD2 TYR 13 HD1 TYR 13 -5.340 -0.761 1.001
72 HE1 TYR 13 HE2 TYR 13 -9.993 -0.035 2.423
73 HE2 TYR 13 HE1 TYR 13 -7.055 -0.190 -0.667
74 HH TYR 13 HH TYR 13 -9.732 1.192 -0.153
75 H GLU 14 H GLU 14 -3.060 -3.155 3.430
76 HA GLU 14 HA GLU 14 -2.297 -3.193 6.274
77 HB2 GLU 14 1HB GLU 14 -1.807 -5.205 4.132
78 HB3 GLU 14 2HB GLU 14 -0.533 -4.938 5.313
79 HG2 GLU 14 1HG GLU 14 -2.009 -5.517 7.117
80 HG3 GLU 14 2HG GLU 14 -3.375 -5.636 6.009
81 H CYS 15 H CYS 15 -0.256 -2.416 6.793
82 HA CYS 15 HA CYS 15 0.820 -0.497 4.937
83 HB2 CYS 15 1HB CYS 15 0.629 -0.046 7.376
84 HB3 CYS 15 2HB CYS 15 1.840 -1.289 7.673
85 H SER 16 H SER 16 2.199 -1.041 3.393
86 HA SER 16 HA SER 16 3.771 -3.462 3.577
87 HB2 SER 16 1HB SER 16 3.122 -1.486 1.446
88 HB3 SER 16 2HB SER 16 4.623 -2.396 1.276
89 HG SER 16 HG SER 16 3.028 -4.244 1.857
90 H GLU 17 H GLU 17 4.490 -1.646 5.555
91 HA GLU 17 HA GLU 17 7.227 -0.975 4.714
92 HB2 GLU 17 1HB GLU 17 5.387 0.711 6.417
93 HB3 GLU 17 2HB GLU 17 7.113 1.002 6.253
94 HG2 GLU 17 1HG GLU 17 5.485 0.823 3.779
95 HG3 GLU 17 2HG GLU 17 5.337 2.269 4.776
96 H CYS 18 H CYS 18 5.091 -1.431 7.525
97 HA CYS 18 HA CYS 18 7.367 -2.655 8.942
98 HB2 CYS 18 1HB CYS 18 6.129 -2.055 11.039
99 HB3 CYS 18 2HB CYS 18 6.681 -0.669 10.103
100 H GLY 19 H GLY 19 3.852 -2.821 8.460
101 HA2 GLY 19 1HA GLY 19 3.105 -5.150 7.854
102 HA3 GLY 19 2HA GLY 19 3.968 -5.651 9.300
103 H LYS 20 H LYS 20 1.739 -2.952 8.643
104 HA LYS 20 HA LYS 20 0.191 -3.784 10.998
105 HB2 LYS 20 1HB LYS 20 0.408 -1.126 9.581
106 HB3 LYS 20 2HB LYS 20 -0.752 -1.448 10.863
107 HG2 LYS 20 1HG LYS 20 2.087 -2.045 11.441
108 HG3 LYS 20 2HG LYS 20 1.626 -0.346 11.311
109 HD2 LYS 20 1HD LYS 20 1.191 -0.652 13.523
110 HD3 LYS 20 2HD LYS 20 -0.363 -1.182 12.874
111 HE2 LYS 20 1HE LYS 20 0.467 -2.753 14.542
112 HE3 LYS 20 2HE LYS 20 0.398 -3.504 12.948
113 HZ1 LYS 20 3HZ LYS 20 2.650 -3.070 14.650
114 HZ2 LYS 20 1HZ LYS 20 2.914 -2.453 13.097
115 HZ3 LYS 20 2HZ LYS 20 2.500 -4.080 13.302
116 H ALA 21 H ALA 21 -2.211 -3.110 10.812
117 HA ALA 21 HA ALA 21 -3.288 -3.506 8.129
118 HB1 ALA 21 3HB ALA 21 -4.923 -5.184 9.485
119 HB2 ALA 21 1HB ALA 21 -3.531 -5.703 8.534
120 HB3 ALA 21 2HB ALA 21 -3.382 -5.504 10.281
121 H PHE 22 H PHE 22 -4.933 -2.167 7.791
122 HA PHE 22 HA PHE 22 -6.451 -1.194 10.121
123 HB2 PHE 22 1HB PHE 22 -5.724 0.395 7.651
124 HB3 PHE 22 2HB PHE 22 -6.642 0.985 9.032
125 HD1 PHE 22 HD2 PHE 22 -3.321 -0.146 7.907
126 HD2 PHE 22 HD1 PHE 22 -5.562 1.731 11.001
127 HE1 PHE 22 HE2 PHE 22 -1.228 0.561 8.990
128 HE2 PHE 22 HE1 PHE 22 -3.473 2.442 12.088
129 HZ PHE 22 HZ PHE 22 -1.302 1.856 11.084
130 H ILE 23 H ILE 23 -8.626 -0.333 9.539
131 HA ILE 23 HA ILE 23 -9.982 -2.247 7.862
132 HB ILE 23 HB ILE 23 -10.972 -1.553 9.996
133 HG12 ILE 23 1HG1 ILE 23 -12.785 -0.498 7.847
134 HG13 ILE 23 2HG1 ILE 23 -12.316 -2.195 7.861
135 HG21 ILE 23 1HG2 ILE 23 -11.690 0.616 10.472
136 HG22 ILE 23 2HG2 ILE 23 -10.112 0.847 9.720
137 HG23 ILE 23 3HG2 ILE 23 -11.583 1.121 8.786
138 HD11 ILE 23 3HD1 ILE 23 -14.470 -1.826 8.943
139 HD12 ILE 23 1HD1 ILE 23 -13.273 -2.460 10.072
140 HD13 ILE 23 2HD1 ILE 23 -13.700 -0.748 10.107
141 H GLN 24 H GLN 24 -9.442 1.257 7.848
142 HA GLN 24 HA GLN 24 -10.463 1.335 5.087
143 HB2 GLN 24 1HB GLN 24 -10.447 3.371 7.290
144 HB3 GLN 24 2HB GLN 24 -10.532 3.886 5.611
145 HG2 GLN 24 1HG GLN 24 -12.467 1.992 6.925
146 HG3 GLN 24 2HG GLN 24 -12.735 3.720 6.702
147 HE21 GLN 24 1HE2 GLN 24 -14.196 1.381 5.671
148 HE22 GLN 24 2HE2 GLN 24 -14.223 1.572 3.954
149 H LYS 25 H LYS 25 -9.266 2.336 3.485
150 HA LYS 25 HA LYS 25 -6.482 2.130 3.631
151 HB2 LYS 25 1HB LYS 25 -7.826 2.088 1.533
152 HB3 LYS 25 2HB LYS 25 -8.082 3.820 1.701
153 HG2 LYS 25 1HG LYS 25 -5.907 4.334 1.165
154 HG3 LYS 25 2HG LYS 25 -5.299 2.754 1.665
155 HD2 LYS 25 1HD LYS 25 -6.276 1.714 -0.282
156 HD3 LYS 25 2HD LYS 25 -7.043 3.234 -0.751
157 HE2 LYS 25 1HE LYS 25 -4.977 4.229 -1.286
158 HE3 LYS 25 2HE LYS 25 -4.064 2.975 -0.449
159 HZ1 LYS 25 3HZ LYS 25 -5.514 2.757 -3.022
160 HZ2 LYS 25 1HZ LYS 25 -4.994 1.399 -2.157
161 HZ3 LYS 25 2HZ LYS 25 -3.864 2.520 -2.730
162 H SER 26 H SER 26 -8.573 4.997 3.802
163 HA SER 26 HA SER 26 -6.652 6.974 3.927
164 HB2 SER 26 1HB SER 26 -9.284 7.079 3.983
165 HB3 SER 26 2HB SER 26 -9.038 7.162 5.728
166 HG SER 26 HG SER 26 -7.815 8.889 3.835
167 H THR 27 H THR 27 -8.027 5.105 6.619
168 HA THR 27 HA THR 27 -6.681 6.317 8.720
169 HB THR 27 HB THR 27 -7.508 3.425 8.417
170 HG1 THR 27 HG1 THR 27 -9.318 4.111 9.571
171 HG21 THR 27 3HG2 THR 27 -5.727 3.771 10.138
172 HG22 THR 27 1HG2 THR 27 -7.257 3.189 10.792
173 HG23 THR 27 2HG2 THR 27 -6.813 4.888 10.964
174 H LEU 28 H LEU 28 -5.624 3.682 6.604
175 HA LEU 28 HA LEU 28 -3.221 3.097 7.947
176 HB2 LEU 28 1HB LEU 28 -3.754 1.447 6.471
177 HB3 LEU 28 2HB LEU 28 -4.347 2.576 5.255
178 HG LEU 28 HG LEU 28 -1.968 3.150 4.742
179 HD11 LEU 28 1HD1 LEU 28 -0.871 2.524 6.762
180 HD12 LEU 28 2HD1 LEU 28 -0.270 1.471 5.481
181 HD13 LEU 28 3HD1 LEU 28 -1.457 0.865 6.635
182 HD21 LEU 28 3HD2 LEU 28 -3.472 0.835 4.050
183 HD22 LEU 28 1HD2 LEU 28 -1.766 0.394 4.124
184 HD23 LEU 28 2HD2 LEU 28 -2.290 1.716 3.081
185 H SER 29 H SER 29 -3.934 5.281 5.244
186 HA SER 29 HA SER 29 -1.369 6.099 4.615
187 HB2 SER 29 1HB SER 29 -3.535 6.713 3.433
188 HB3 SER 29 2HB SER 29 -3.747 7.962 4.660
189 HG SER 29 HG SER 29 -1.273 7.899 3.424
190 H MET 30 H MET 30 -3.501 7.233 7.189
191 HA MET 30 HA MET 30 -1.929 9.410 8.035
192 HB2 MET 30 1HB MET 30 -3.722 7.718 9.779
193 HB3 MET 30 2HB MET 30 -3.253 9.393 10.042
194 HG2 MET 30 1HG MET 30 -4.872 8.465 7.686
195 HG3 MET 30 2HG MET 30 -5.574 9.055 9.191
196 HE1 MET 30 3HE MET 30 -6.499 10.842 9.331
197 HE2 MET 30 1HE MET 30 -5.597 12.355 9.430
198 HE3 MET 30 2HE MET 30 -6.615 12.026 8.029
199 H HIS 31 H HIS 31 -1.631 5.998 8.523
200 HA HIS 31 HA HIS 31 0.238 6.294 10.730
201 HB2 HIS 31 1HB HIS 31 -0.999 4.383 11.093
202 HB3 HIS 31 2HB HIS 31 -1.112 4.002 9.377
203 HD1 HIS 31 HD1 HIS 31 0.926 3.372 12.398
204 HD2 HIS 31 HD2 HIS 31 1.158 2.646 8.314
205 HE1 HIS 31 HE1 HIS 31 2.754 1.667 12.121
206 H GLN 32 H GLN 32 0.277 5.072 7.390
207 HA GLN 32 HA GLN 32 2.872 4.293 7.120
208 HB2 GLN 32 1HB GLN 32 0.911 5.540 5.264
209 HB3 GLN 32 2HB GLN 32 2.585 5.456 4.731
210 HG2 GLN 32 1HG GLN 32 2.476 2.983 5.324
211 HG3 GLN 32 2HG GLN 32 0.730 3.204 5.414
212 HE21 GLN 32 1HE2 GLN 32 -0.421 3.686 3.534
213 HE22 GLN 32 2HE2 GLN 32 0.241 3.409 1.963
214 H ARG 33 H ARG 33 1.724 7.480 7.698
215 HA ARG 33 HA ARG 33 3.721 9.072 6.628
216 HB2 ARG 33 1HB ARG 33 3.033 10.762 8.127
217 HB3 ARG 33 2HB ARG 33 1.595 9.796 7.824
218 HG2 ARG 33 1HG ARG 33 1.853 8.670 9.942
219 HG3 ARG 33 2HG ARG 33 3.373 9.516 10.237
220 HD2 ARG 33 1HD ARG 33 0.688 10.849 9.903
221 HD3 ARG 33 2HD ARG 33 1.452 10.497 11.453
222 HE ARG 33 HE ARG 33 3.339 11.946 10.219
223 HH11 ARG 33 1HH1 ARG 33 -0.079 12.458 10.639
224 HH12 ARG 33 2HH1 ARG 33 0.047 14.186 10.639
225 HH21 ARG 33 1HH2 ARG 33 3.518 14.220 10.218
226 HH22 ARG 33 2HH2 ARG 33 2.094 15.187 10.399
227 H ILE 34 H ILE 34 3.662 7.362 9.731
228 HA ILE 34 HA ILE 34 5.945 8.312 10.915
229 HB ILE 34 HB ILE 34 6.100 6.272 12.147
230 HG12 ILE 34 1HG1 ILE 34 4.217 4.961 10.186
231 HG13 ILE 34 2HG1 ILE 34 5.967 4.818 10.061
232 HG21 ILE 34 1HG2 ILE 34 4.126 7.720 12.548
233 HG22 ILE 34 2HG2 ILE 34 3.194 6.686 11.467
234 HG23 ILE 34 3HG2 ILE 34 3.852 6.028 12.965
235 HD11 ILE 34 3HD1 ILE 34 4.988 4.185 12.717
236 HD12 ILE 34 1HD1 ILE 34 4.290 3.156 11.465
237 HD13 ILE 34 2HD1 ILE 34 6.042 3.264 11.644
238 H HIS 35 H HIS 35 5.677 6.309 8.105
239 HA HIS 35 HA HIS 35 8.475 5.532 8.156
240 HB2 HIS 35 1HB HIS 35 6.363 5.080 6.036
241 HB3 HIS 35 2HB HIS 35 7.966 4.351 6.064
242 HD1 HIS 35 HD1 HIS 35 8.277 3.150 8.711
243 HD2 HIS 35 HD2 HIS 35 4.585 3.213 6.808
244 HE1 HIS 35 HE1 HIS 35 6.941 1.304 9.775
245 H ARG 36 H ARG 36 6.343 7.665 6.308
246 HA ARG 36 HA ARG 36 8.719 8.814 5.003
247 HB2 ARG 36 1HB ARG 36 7.157 9.679 3.294
248 HB3 ARG 36 2HB ARG 36 7.125 7.924 3.407
249 HG2 ARG 36 1HG ARG 36 4.895 8.327 3.319
250 HG3 ARG 36 2HG ARG 36 5.127 8.432 5.065
251 HD2 ARG 36 1HD ARG 36 4.931 10.725 5.090
252 HD3 ARG 36 2HD ARG 36 5.440 10.891 3.410
253 HE ARG 36 HE ARG 36 2.898 9.569 3.803
254 HH11 ARG 36 1HH1 ARG 36 4.562 12.574 3.236
255 HH12 ARG 36 2HH1 ARG 36 3.174 13.368 2.570
256 HH21 ARG 36 1HH2 ARG 36 1.063 10.604 2.928
257 HH22 ARG 36 2HH2 ARG 36 1.184 12.247 2.396
258 H GLY 37 H GLY 37 7.925 9.480 7.683
259 HA2 GLY 37 1HA GLY 37 6.582 12.041 7.563
260 HA3 GLY 37 2HA GLY 37 7.243 11.273 8.999
261 H GLU 38 H GLU 38 8.588 12.707 9.884
262 HA GLU 38 HA GLU 38 10.346 14.281 8.155
263 HB2 GLU 38 1HB GLU 38 9.015 15.433 9.909
264 HB3 GLU 38 2HB GLU 38 9.883 14.515 11.132
265 HG2 GLU 38 1HG GLU 38 10.716 16.827 10.808
266 HG3 GLU 38 2HG GLU 38 11.940 15.580 10.582
267 H LYS 39 H LYS 39 12.087 13.098 7.603
268 HA LYS 39 HA LYS 39 13.525 11.659 9.728
269 HB2 LYS 39 1HB LYS 39 13.434 11.316 6.740
270 HB3 LYS 39 2HB LYS 39 14.732 10.620 7.701
271 HG2 LYS 39 1HG LYS 39 11.858 10.082 8.351
272 HG3 LYS 39 2HG LYS 39 12.721 9.146 7.128
273 HD2 LYS 39 1HD LYS 39 14.353 8.438 8.752
274 HD3 LYS 39 2HD LYS 39 13.648 9.494 9.978
275 HE2 LYS 39 1HE LYS 39 12.275 7.147 8.670
276 HE3 LYS 39 2HE LYS 39 12.978 7.155 10.287
277 HZ1 LYS 39 3HZ LYS 39 11.259 9.322 10.161
278 HZ2 LYS 39 1HZ LYS 39 11.041 7.887 11.031
279 HZ3 LYS 39 2HZ LYS 39 10.422 8.029 9.463
280 HA PRO 40 HA PRO 40 16.770 14.632 9.620
281 HB2 PRO 40 1HB PRO 40 18.795 13.094 10.572
282 HB3 PRO 40 2HB PRO 40 17.487 13.699 11.594
283 HG2 PRO 40 1HG PRO 40 17.822 10.998 10.348
284 HG3 PRO 40 2HG PRO 40 17.284 11.416 11.985
285 HD2 PRO 40 1HD PRO 40 15.558 10.736 10.013
286 HD3 PRO 40 2HD PRO 40 15.138 11.892 11.294
287 H SER 41 H SER 41 19.083 14.845 8.833
288 HA SER 41 HA SER 41 19.355 14.638 6.176
289 HB2 SER 41 1HB SER 41 21.851 14.517 6.524
290 HB3 SER 41 2HB SER 41 21.039 15.780 7.448
291 HG SER 41 HG SER 41 22.491 14.638 8.761
292 H GLY 42 H GLY 42 19.617 13.122 4.654
293 HA2 GLY 42 1HA GLY 42 20.788 10.547 5.287
294 HA3 GLY 42 2HA GLY 42 19.074 10.497 4.901
295 HA PRO 43 HA PRO 43 21.514 11.942 0.947
296 HB2 PRO 43 1HB PRO 43 24.144 11.269 0.936
297 HB3 PRO 43 2HB PRO 43 23.553 12.825 1.531
298 HG2 PRO 43 1HG PRO 43 24.320 10.376 3.072
299 HG3 PRO 43 2HG PRO 43 24.690 12.076 3.416
300 HD2 PRO 43 1HD PRO 43 22.706 10.733 4.678
301 HD3 PRO 43 2HD PRO 43 22.614 12.472 4.336
302 H SER 44 H SER 44 21.248 9.092 2.572
303 HA SER 44 HA SER 44 20.856 6.959 1.853
304 HB2 SER 44 1HB SER 44 21.582 7.814 -0.947
305 HB3 SER 44 2HB SER 44 20.538 6.483 -0.450
306 HG SER 44 HG SER 44 19.950 9.201 0.093
307 H SER 45 H SER 45 23.272 7.570 2.963
308 HA SER 45 HA SER 45 25.624 7.109 1.709
309 HB2 SER 45 1HB SER 45 25.206 7.437 4.207
310 HB3 SER 45 2HB SER 45 24.957 5.693 4.291
311 HG SER 45 HG SER 45 27.165 5.922 2.996
312 H GLY 46 H GLY 46 26.698 5.460 0.758
313 HA2 GLY 46 1HA GLY 46 25.177 2.998 0.306
314 HA3 GLY 46 2HA GLY 46 26.553 3.551 -0.636
Start of MODEL 16
1 H1 GLY 1 H GLY 1 3.520 -25.664 -16.471
2 HA2 GLY 1 1HA GLY 1 6.209 -24.712 -16.205
3 HA3 GLY 1 2HA GLY 1 5.408 -24.037 -17.615
4 H SER 2 H SER 2 5.697 -21.966 -16.573
5 HA SER 2 HA SER 2 4.706 -21.232 -14.093
6 HB2 SER 2 1HB SER 2 6.103 -19.785 -15.562
7 HB3 SER 2 2HB SER 2 4.695 -19.521 -16.591
8 HG SER 2 HG SER 2 5.195 -18.615 -13.981
9 H SER 3 H SER 3 2.799 -19.774 -13.696
10 HA SER 3 HA SER 3 0.438 -20.861 -15.083
11 HB2 SER 3 1HB SER 3 0.762 -19.894 -12.236
12 HB3 SER 3 2HB SER 3 -0.794 -20.290 -12.964
13 HG SER 3 HG SER 3 -0.234 -22.170 -12.094
14 H GLY 4 H GLY 4 1.743 -17.944 -13.531
15 HA2 GLY 4 1HA GLY 4 1.468 -15.963 -15.139
16 HA3 GLY 4 2HA GLY 4 -0.242 -16.347 -15.012
17 H SER 5 H SER 5 -1.264 -14.970 -13.737
18 HA SER 5 HA SER 5 -0.098 -13.152 -12.009
19 HB2 SER 5 1HB SER 5 -2.332 -12.741 -12.697
20 HB3 SER 5 2HB SER 5 -2.887 -14.303 -12.095
21 HG SER 5 HG SER 5 -3.350 -13.263 -10.338
22 H SER 6 H SER 6 0.132 -13.030 -9.765
23 HA SER 6 HA SER 6 -0.108 -15.564 -8.293
24 HB2 SER 6 1HB SER 6 2.248 -15.261 -8.982
25 HB3 SER 6 2HB SER 6 2.274 -13.697 -8.168
26 HG SER 6 HG SER 6 2.887 -15.953 -7.097
27 H GLY 7 H GLY 7 -1.725 -15.080 -6.923
28 HA2 GLY 7 1HA GLY 7 -1.507 -13.787 -4.594
29 HA3 GLY 7 2HA GLY 7 -1.875 -12.455 -5.681
30 H THR 8 H THR 8 -3.458 -13.384 -3.462
31 HA THR 8 HA THR 8 -5.749 -14.706 -4.686
32 HB THR 8 HB THR 8 -6.719 -14.716 -2.431
33 HG1 THR 8 HG1 THR 8 -4.294 -13.469 -1.600
34 HG21 THR 8 3HG2 THR 8 -3.877 -15.688 -2.669
35 HG22 THR 8 1HG2 THR 8 -5.361 -16.602 -2.937
36 HG23 THR 8 2HG2 THR 8 -4.922 -16.090 -1.307
37 H GLY 9 H GLY 9 -5.118 -11.698 -2.868
38 HA2 GLY 9 1HA GLY 9 -6.059 -9.696 -4.157
39 HA3 GLY 9 2HA GLY 9 -7.575 -10.578 -4.050
40 H GLU 10 H GLU 10 -5.061 -8.987 -2.155
41 HA GLU 10 HA GLU 10 -6.122 -9.193 0.382
42 HB2 GLU 10 1HB GLU 10 -4.936 -7.102 0.901
43 HB3 GLU 10 2HB GLU 10 -3.941 -8.200 -0.045
44 HG2 GLU 10 1HG GLU 10 -4.065 -6.891 -1.945
45 HG3 GLU 10 2HG GLU 10 -5.525 -6.065 -1.403
46 H ARG 11 H ARG 11 -7.710 -8.208 1.527
47 HA ARG 11 HA ARG 11 -9.556 -6.511 0.001
48 HB2 ARG 11 1HB ARG 11 -9.896 -8.388 2.310
49 HB3 ARG 11 2HB ARG 11 -11.061 -7.093 2.067
50 HG2 ARG 11 1HG ARG 11 -11.298 -7.971 -0.310
51 HG3 ARG 11 2HG ARG 11 -10.432 -9.400 0.258
52 HD2 ARG 11 1HD ARG 11 -12.980 -8.318 1.456
53 HD3 ARG 11 2HD ARG 11 -12.884 -9.672 0.332
54 HE ARG 11 HE ARG 11 -11.282 -9.965 2.715
55 HH11 ARG 11 1HH1 ARG 11 -14.376 -10.517 1.217
56 HH12 ARG 11 2HH1 ARG 11 -14.810 -11.808 2.287
57 HH21 ARG 11 1HH2 ARG 11 -11.842 -11.664 4.130
58 HH22 ARG 11 2HH2 ARG 11 -13.368 -12.460 3.944
59 H HIS 12 H HIS 12 -8.050 -6.779 3.211
60 HA HIS 12 HA HIS 12 -8.861 -4.089 3.911
61 HB2 HIS 12 1HB HIS 12 -7.445 -4.607 5.989
62 HB3 HIS 12 2HB HIS 12 -8.902 -5.565 5.744
63 HD1 HIS 12 HD1 HIS 12 -8.468 -7.902 6.384
64 HD2 HIS 12 HD2 HIS 12 -5.163 -6.176 4.551
65 HE1 HIS 12 HE1 HIS 12 -6.730 -9.718 6.283
66 H TYR 13 H TYR 13 -7.326 -2.446 4.570
67 HA TYR 13 HA TYR 13 -4.990 -2.428 2.809
68 HB2 TYR 13 1HB TYR 13 -6.282 -0.171 4.354
69 HB3 TYR 13 2HB TYR 13 -4.951 -0.003 3.215
70 HD1 TYR 13 HD1 TYR 13 -5.339 -0.387 0.796
71 HD2 TYR 13 HD2 TYR 13 -8.539 -0.372 3.601
72 HE1 TYR 13 HE1 TYR 13 -6.945 -0.105 -1.046
73 HE2 TYR 13 HE2 TYR 13 -10.153 -0.091 1.767
74 HH TYR 13 HH TYR 13 -9.797 1.002 -0.845
75 H GLU 14 H GLU 14 -3.373 -3.487 3.848
76 HA GLU 14 HA GLU 14 -2.687 -2.591 6.566
77 HB2 GLU 14 1HB GLU 14 -1.300 -4.724 6.604
78 HB3 GLU 14 2HB GLU 14 -3.046 -4.922 6.624
79 HG2 GLU 14 1HG GLU 14 -2.989 -5.347 4.193
80 HG3 GLU 14 2HG GLU 14 -1.230 -5.252 4.249
81 H CYS 15 H CYS 15 -0.684 -1.793 7.012
82 HA CYS 15 HA CYS 15 0.775 -0.523 5.015
83 HB2 CYS 15 1HB CYS 15 0.776 -0.158 7.583
84 HB3 CYS 15 2HB CYS 15 2.046 -1.377 7.602
85 H SER 16 H SER 16 2.990 -0.890 4.319
86 HA SER 16 HA SER 16 3.577 -3.764 4.045
87 HB2 SER 16 1HB SER 16 3.753 -1.478 2.143
88 HB3 SER 16 2HB SER 16 4.977 -2.741 2.012
89 HG SER 16 HG SER 16 2.413 -3.687 2.279
90 H GLU 17 H GLU 17 4.757 -0.706 5.091
91 HA GLU 17 HA GLU 17 7.537 -1.300 5.039
92 HB2 GLU 17 1HB GLU 17 5.894 0.740 6.527
93 HB3 GLU 17 2HB GLU 17 7.634 0.610 6.738
94 HG2 GLU 17 1HG GLU 17 7.111 2.347 5.150
95 HG3 GLU 17 2HG GLU 17 7.950 1.022 4.346
96 H CYS 18 H CYS 18 5.311 -1.023 7.816
97 HA CYS 18 HA CYS 18 7.136 -2.601 9.440
98 HB2 CYS 18 1HB CYS 18 5.516 -2.095 11.273
99 HB3 CYS 18 2HB CYS 18 6.180 -0.660 10.499
100 H GLY 19 H GLY 19 3.763 -2.769 8.322
101 HA2 GLY 19 1HA GLY 19 3.101 -5.014 7.461
102 HA3 GLY 19 2HA GLY 19 3.827 -5.662 8.925
103 H LYS 20 H LYS 20 2.247 -2.725 9.461
104 HA LYS 20 HA LYS 20 0.313 -3.905 11.162
105 HB2 LYS 20 1HB LYS 20 0.917 -1.140 10.216
106 HB3 LYS 20 2HB LYS 20 -0.648 -1.439 10.961
107 HG2 LYS 20 1HG LYS 20 0.877 -2.593 12.801
108 HG3 LYS 20 2HG LYS 20 2.060 -1.452 12.157
109 HD2 LYS 20 1HD LYS 20 1.100 -0.144 13.767
110 HD3 LYS 20 2HD LYS 20 0.038 0.235 12.409
111 HE2 LYS 20 1HE LYS 20 -0.652 -2.075 14.155
112 HE3 LYS 20 2HE LYS 20 -0.927 -0.447 14.771
113 HZ1 LYS 20 3HZ LYS 20 -2.531 -1.903 13.026
114 HZ2 LYS 20 1HZ LYS 20 -1.893 -0.615 12.135
115 HZ3 LYS 20 2HZ LYS 20 -2.757 -0.313 13.558
116 H ALA 21 H ALA 21 -2.008 -3.742 10.988
117 HA ALA 21 HA ALA 21 -2.971 -3.699 8.203
118 HB1 ALA 21 3HB ALA 21 -2.831 -6.000 9.081
119 HB2 ALA 21 1HB ALA 21 -3.936 -5.549 10.380
120 HB3 ALA 21 2HB ALA 21 -4.484 -5.516 8.703
121 H PHE 22 H PHE 22 -4.927 -2.729 7.814
122 HA PHE 22 HA PHE 22 -6.408 -1.650 10.103
123 HB2 PHE 22 1HB PHE 22 -5.712 0.020 7.684
124 HB3 PHE 22 2HB PHE 22 -6.521 0.554 9.153
125 HD1 PHE 22 HD2 PHE 22 -3.305 -0.649 7.789
126 HD2 PHE 22 HD1 PHE 22 -5.296 1.265 11.028
127 HE1 PHE 22 HE2 PHE 22 -1.129 -0.028 8.755
128 HE2 PHE 22 HE1 PHE 22 -3.123 1.890 11.999
129 HZ PHE 22 HZ PHE 22 -1.036 1.242 10.863
130 H ILE 23 H ILE 23 -8.540 -0.680 9.360
131 HA ILE 23 HA ILE 23 -9.779 -2.573 7.524
132 HB ILE 23 HB ILE 23 -10.877 -2.239 9.666
133 HG12 ILE 23 1HG1 ILE 23 -12.613 -0.881 7.614
134 HG13 ILE 23 2HG1 ILE 23 -12.166 -2.577 7.459
135 HG21 ILE 23 1HG2 ILE 23 -11.895 -0.087 10.251
136 HG22 ILE 23 2HG2 ILE 23 -10.141 0.032 10.123
137 HG23 ILE 23 3HG2 ILE 23 -11.162 0.642 8.822
138 HD11 ILE 23 3HD1 ILE 23 -13.214 -3.056 9.600
139 HD12 ILE 23 1HD1 ILE 23 -13.641 -1.355 9.779
140 HD13 ILE 23 2HD1 ILE 23 -14.356 -2.313 8.482
141 H GLN 24 H GLN 24 -9.442 0.931 7.947
142 HA GLN 24 HA GLN 24 -10.611 1.361 5.299
143 HB2 GLN 24 1HB GLN 24 -9.955 3.229 7.572
144 HB3 GLN 24 2HB GLN 24 -10.429 3.807 5.981
145 HG2 GLN 24 1HG GLN 24 -12.460 2.175 6.372
146 HG3 GLN 24 2HG GLN 24 -12.041 2.442 8.064
147 HE21 GLN 24 1HE2 GLN 24 -13.655 3.645 5.366
148 HE22 GLN 24 2HE2 GLN 24 -14.053 5.208 5.986
149 H LYS 25 H LYS 25 -9.544 2.745 3.760
150 HA LYS 25 HA LYS 25 -6.754 2.145 3.525
151 HB2 LYS 25 1HB LYS 25 -8.106 2.174 1.530
152 HB3 LYS 25 2HB LYS 25 -8.615 3.828 1.842
153 HG2 LYS 25 1HG LYS 25 -6.609 4.719 1.166
154 HG3 LYS 25 2HG LYS 25 -5.713 3.237 1.507
155 HD2 LYS 25 1HD LYS 25 -7.200 2.246 -0.401
156 HD3 LYS 25 2HD LYS 25 -7.396 3.939 -0.861
157 HE2 LYS 25 1HE LYS 25 -4.922 4.154 -0.904
158 HE3 LYS 25 2HE LYS 25 -4.802 2.425 -0.585
159 HZ1 LYS 25 3HZ LYS 25 -4.808 2.234 -2.794
160 HZ2 LYS 25 1HZ LYS 25 -5.401 3.799 -3.040
161 HZ3 LYS 25 2HZ LYS 25 -6.471 2.531 -2.707
162 H SER 26 H SER 26 -8.573 5.207 3.724
163 HA SER 26 HA SER 26 -6.443 6.957 3.834
164 HB2 SER 26 1HB SER 26 -9.041 7.220 5.368
165 HB3 SER 26 2HB SER 26 -7.956 8.535 4.917
166 HG SER 26 HG SER 26 -9.905 7.987 3.532
167 H THR 27 H THR 27 -7.995 5.215 6.502
168 HA THR 27 HA THR 27 -6.686 6.332 8.656
169 HB THR 27 HB THR 27 -7.473 3.437 8.275
170 HG1 THR 27 HG1 THR 27 -9.239 4.300 9.713
171 HG21 THR 27 3HG2 THR 27 -7.571 4.272 10.993
172 HG22 THR 27 1HG2 THR 27 -5.969 4.647 10.360
173 HG23 THR 27 2HG2 THR 27 -6.589 2.998 10.271
174 H LEU 28 H LEU 28 -5.574 3.740 6.514
175 HA LEU 28 HA LEU 28 -3.208 3.132 7.916
176 HB2 LEU 28 1HB LEU 28 -3.732 1.500 6.409
177 HB3 LEU 28 2HB LEU 28 -4.250 2.652 5.179
178 HG LEU 28 HG LEU 28 -1.803 3.196 4.839
179 HD11 LEU 28 1HD1 LEU 28 -0.982 2.289 6.956
180 HD12 LEU 28 2HD1 LEU 28 -0.182 1.539 5.576
181 HD13 LEU 28 3HD1 LEU 28 -1.447 0.668 6.443
182 HD21 LEU 28 3HD2 LEU 28 -3.295 1.598 3.475
183 HD22 LEU 28 1HD2 LEU 28 -2.376 0.313 4.259
184 HD23 LEU 28 2HD2 LEU 28 -1.546 1.507 3.261
185 H SER 29 H SER 29 -3.847 5.334 5.208
186 HA SER 29 HA SER 29 -1.274 6.157 4.642
187 HB2 SER 29 1HB SER 29 -3.881 7.680 4.561
188 HB3 SER 29 2HB SER 29 -2.366 8.353 3.959
189 HG SER 29 HG SER 29 -3.431 5.876 3.088
190 H MET 30 H MET 30 -3.506 7.482 7.068
191 HA MET 30 HA MET 30 -1.918 9.561 8.006
192 HB2 MET 30 1HB MET 30 -3.720 7.870 9.738
193 HB3 MET 30 2HB MET 30 -3.283 9.557 9.973
194 HG2 MET 30 1HG MET 30 -4.420 9.887 7.655
195 HG3 MET 30 2HG MET 30 -5.192 8.348 8.031
196 HE1 MET 30 3HE MET 30 -7.456 8.833 10.814
197 HE2 MET 30 1HE MET 30 -6.146 7.826 10.196
198 HE3 MET 30 2HE MET 30 -5.855 8.918 11.550
199 H HIS 31 H HIS 31 -1.604 6.152 8.455
200 HA HIS 31 HA HIS 31 0.235 6.446 10.694
201 HB2 HIS 31 1HB HIS 31 -0.981 4.539 11.084
202 HB3 HIS 31 2HB HIS 31 -1.158 4.172 9.371
203 HD1 HIS 31 HD1 HIS 31 1.030 3.551 12.307
204 HD2 HIS 31 HD2 HIS 31 0.989 2.718 8.236
205 HE1 HIS 31 HE1 HIS 31 2.802 1.801 11.961
206 H GLN 32 H GLN 32 0.293 5.128 7.385
207 HA GLN 32 HA GLN 32 2.873 4.346 7.124
208 HB2 GLN 32 1HB GLN 32 0.971 5.658 5.239
209 HB3 GLN 32 2HB GLN 32 2.643 5.463 4.729
210 HG2 GLN 32 1HG GLN 32 2.344 3.004 5.411
211 HG3 GLN 32 2HG GLN 32 0.618 3.360 5.376
212 HE21 GLN 32 1HE2 GLN 32 -0.219 4.291 3.355
213 HE22 GLN 32 2HE2 GLN 32 0.465 3.757 1.862
214 H ARG 33 H ARG 33 1.758 7.567 7.634
215 HA ARG 33 HA ARG 33 3.774 9.128 6.590
216 HB2 ARG 33 1HB ARG 33 3.117 10.819 8.098
217 HB3 ARG 33 2HB ARG 33 1.666 9.866 7.816
218 HG2 ARG 33 1HG ARG 33 2.114 8.656 9.935
219 HG3 ARG 33 2HG ARG 33 3.464 9.754 10.226
220 HD2 ARG 33 1HD ARG 33 2.037 11.619 10.422
221 HD3 ARG 33 2HD ARG 33 0.672 10.745 9.728
222 HE ARG 33 HE ARG 33 1.701 9.684 12.219
223 HH11 ARG 33 1HH1 ARG 33 -0.614 11.765 10.661
224 HH12 ARG 33 2HH1 ARG 33 -1.714 11.762 12.000
225 HH21 ARG 33 1HH2 ARG 33 0.262 9.671 13.988
226 HH22 ARG 33 2HH2 ARG 33 -1.214 10.571 13.892
227 H ILE 34 H ILE 34 3.720 7.415 9.694
228 HA ILE 34 HA ILE 34 6.077 8.341 10.797
229 HB ILE 34 HB ILE 34 6.156 6.351 12.127
230 HG12 ILE 34 1HG1 ILE 34 4.058 5.063 10.395
231 HG13 ILE 34 2HG1 ILE 34 5.772 4.852 10.057
232 HG21 ILE 34 1HG2 ILE 34 4.425 7.275 13.176
233 HG22 ILE 34 2HG2 ILE 34 3.692 7.786 11.657
234 HG23 ILE 34 3HG2 ILE 34 3.390 6.164 12.281
235 HD11 ILE 34 3HD1 ILE 34 6.089 3.900 12.283
236 HD12 ILE 34 1HD1 ILE 34 4.368 4.101 12.609
237 HD13 ILE 34 2HD1 ILE 34 4.903 2.995 11.344
238 H HIS 35 H HIS 35 5.622 6.262 8.082
239 HA HIS 35 HA HIS 35 8.354 5.277 8.119
240 HB2 HIS 35 1HB HIS 35 6.082 4.887 6.164
241 HB3 HIS 35 2HB HIS 35 7.680 4.173 5.965
242 HD1 HIS 35 HD1 HIS 35 8.357 2.871 8.469
243 HD2 HIS 35 HD2 HIS 35 4.415 3.029 7.166
244 HE1 HIS 35 HE1 HIS 35 7.179 0.999 9.665
245 H ARG 36 H ARG 36 6.417 7.678 6.461
246 HA ARG 36 HA ARG 36 8.785 8.475 4.902
247 HB2 ARG 36 1HB ARG 36 7.150 9.671 3.433
248 HB3 ARG 36 2HB ARG 36 6.968 7.922 3.441
249 HG2 ARG 36 1HG ARG 36 4.789 8.753 3.534
250 HG3 ARG 36 2HG ARG 36 5.158 8.280 5.193
251 HD2 ARG 36 1HD ARG 36 5.397 10.487 5.898
252 HD3 ARG 36 2HD ARG 36 5.634 11.084 4.256
253 HE ARG 36 HE ARG 36 3.134 10.666 5.603
254 HH11 ARG 36 1HH1 ARG 36 4.712 10.848 2.505
255 HH12 ARG 36 2HH1 ARG 36 3.269 11.283 1.649
256 HH21 ARG 36 1HH2 ARG 36 1.228 11.238 4.488
257 HH22 ARG 36 2HH2 ARG 36 1.288 11.505 2.778
258 H GLY 37 H GLY 37 8.494 9.192 7.635
259 HA2 GLY 37 1HA GLY 37 7.660 12.000 7.581
260 HA3 GLY 37 2HA GLY 37 8.039 11.061 9.017
261 H GLU 38 H GLU 38 9.603 12.311 6.071
262 HA GLU 38 HA GLU 38 12.228 12.197 7.096
263 HB2 GLU 38 1HB GLU 38 10.978 13.779 4.857
264 HB3 GLU 38 2HB GLU 38 12.687 13.905 5.248
265 HG2 GLU 38 1HG GLU 38 13.098 11.671 4.662
266 HG3 GLU 38 2HG GLU 38 11.381 11.271 4.659
267 H LYS 39 H LYS 39 13.621 14.178 7.379
268 HA LYS 39 HA LYS 39 12.338 15.920 9.325
269 HB2 LYS 39 1HB LYS 39 15.215 15.430 8.569
270 HB3 LYS 39 2HB LYS 39 14.738 16.705 9.682
271 HG2 LYS 39 1HG LYS 39 14.191 15.246 11.344
272 HG3 LYS 39 2HG LYS 39 13.769 13.951 10.221
273 HD2 LYS 39 1HD LYS 39 15.764 13.255 11.266
274 HD3 LYS 39 2HD LYS 39 16.246 13.828 9.668
275 HE2 LYS 39 1HE LYS 39 16.560 16.106 10.959
276 HE3 LYS 39 2HE LYS 39 16.719 15.035 12.350
277 HZ1 LYS 39 3HZ LYS 39 18.868 15.096 11.677
278 HZ2 LYS 39 1HZ LYS 39 18.488 15.371 10.052
279 HZ3 LYS 39 2HZ LYS 39 18.354 13.815 10.700
280 HA PRO 40 HA PRO 40 11.988 19.403 6.664
281 HB2 PRO 40 1HB PRO 40 12.134 21.400 8.498
282 HB3 PRO 40 2HB PRO 40 10.715 20.361 8.319
283 HG2 PRO 40 1HG PRO 40 12.944 20.197 10.311
284 HG3 PRO 40 2HG PRO 40 11.199 20.002 10.565
285 HD2 PRO 40 1HD PRO 40 12.887 17.894 10.367
286 HD3 PRO 40 2HD PRO 40 11.204 17.826 9.805
287 H SER 41 H SER 41 13.107 21.411 6.030
288 HA SER 41 HA SER 41 15.740 21.094 5.414
289 HB2 SER 41 1HB SER 41 13.982 23.483 5.680
290 HB3 SER 41 2HB SER 41 15.715 23.764 5.514
291 HG SER 41 HG SER 41 15.215 23.584 3.462
292 H GLY 42 H GLY 42 14.509 22.972 8.187
293 HA2 GLY 42 1HA GLY 42 16.932 23.734 9.289
294 HA3 GLY 42 2HA GLY 42 15.467 23.453 10.218
295 HA PRO 43 HA PRO 43 18.831 19.998 10.654
296 HB2 PRO 43 1HB PRO 43 20.598 21.087 12.404
297 HB3 PRO 43 2HB PRO 43 20.799 21.183 10.650
298 HG2 PRO 43 1HG PRO 43 19.721 23.231 12.548
299 HG3 PRO 43 2HG PRO 43 20.838 23.445 11.188
300 HD2 PRO 43 1HD PRO 43 18.200 24.031 11.013
301 HD3 PRO 43 2HD PRO 43 19.140 23.436 9.629
302 H SER 44 H SER 44 18.340 18.533 12.173
303 HA SER 44 HA SER 44 16.649 19.283 14.374
304 HB2 SER 44 1HB SER 44 16.643 17.093 12.905
305 HB3 SER 44 2HB SER 44 17.808 16.535 14.106
306 HG SER 44 HG SER 44 15.909 17.581 15.508
307 H SER 45 H SER 45 17.125 19.340 16.517
308 HA SER 45 HA SER 45 19.933 18.855 17.272
309 HB2 SER 45 1HB SER 45 19.621 20.694 18.962
310 HB3 SER 45 2HB SER 45 19.574 21.235 17.284
311 HG SER 45 HG SER 45 17.843 22.174 18.238
312 H GLY 46 H GLY 46 18.024 16.847 17.435
313 HA2 GLY 46 1HA GLY 46 18.028 16.386 20.314
314 HA3 GLY 46 2HA GLY 46 16.455 16.385 19.530
Start of MODEL 17
1 H1 GLY 1 H GLY 1 -2.097 -20.890 -15.111
2 HA2 GLY 1 1HA GLY 1 -0.136 -21.318 -12.962
3 HA3 GLY 1 2HA GLY 1 -0.228 -19.898 -13.994
4 H SER 2 H SER 2 -2.661 -18.943 -13.807
5 HA SER 2 HA SER 2 -2.776 -17.903 -11.152
6 HB2 SER 2 1HB SER 2 -3.393 -16.695 -13.332
7 HB3 SER 2 2HB SER 2 -4.924 -17.566 -13.242
8 HG SER 2 HG SER 2 -4.505 -15.328 -12.143
9 H SER 3 H SER 3 -4.444 -18.102 -9.628
10 HA SER 3 HA SER 3 -5.912 -20.638 -9.820
11 HB2 SER 3 1HB SER 3 -4.282 -19.979 -7.861
12 HB3 SER 3 2HB SER 3 -5.680 -19.079 -7.272
13 HG SER 3 HG SER 3 -5.253 -21.538 -6.801
14 H GLY 4 H GLY 4 -7.938 -20.428 -10.504
15 HA2 GLY 4 1HA GLY 4 -9.431 -18.121 -10.706
16 HA3 GLY 4 2HA GLY 4 -10.126 -19.731 -10.592
17 H SER 5 H SER 5 -10.704 -16.923 -9.419
18 HA SER 5 HA SER 5 -11.267 -17.915 -6.709
19 HB2 SER 5 1HB SER 5 -10.787 -15.670 -5.800
20 HB3 SER 5 2HB SER 5 -9.361 -16.383 -6.554
21 HG SER 5 HG SER 5 -10.140 -14.060 -7.053
22 H SER 6 H SER 6 -13.370 -18.390 -7.578
23 HA SER 6 HA SER 6 -15.013 -16.064 -8.265
24 HB2 SER 6 1HB SER 6 -15.447 -19.036 -8.573
25 HB3 SER 6 2HB SER 6 -16.734 -17.859 -8.834
26 HG SER 6 HG SER 6 -15.474 -16.925 -10.468
27 H GLY 7 H GLY 7 -14.220 -16.189 -5.609
28 HA2 GLY 7 1HA GLY 7 -16.782 -16.189 -4.306
29 HA3 GLY 7 2HA GLY 7 -15.743 -17.497 -3.760
30 H THR 8 H THR 8 -13.426 -16.709 -3.224
31 HA THR 8 HA THR 8 -13.579 -15.001 -1.021
32 HB THR 8 HB THR 8 -11.787 -16.661 -1.295
33 HG1 THR 8 HG1 THR 8 -10.110 -15.285 -0.527
34 HG21 THR 8 3HG2 THR 8 -10.492 -16.764 -3.107
35 HG22 THR 8 1HG2 THR 8 -10.005 -15.080 -2.919
36 HG23 THR 8 2HG2 THR 8 -11.471 -15.479 -3.814
37 H GLY 9 H GLY 9 -12.707 -12.904 -0.659
38 HA2 GLY 9 1HA GLY 9 -11.557 -11.190 -2.476
39 HA3 GLY 9 2HA GLY 9 -13.284 -11.062 -2.771
40 H GLU 10 H GLU 10 -11.470 -11.458 0.260
41 HA GLU 10 HA GLU 10 -12.411 -8.810 1.106
42 HB2 GLU 10 1HB GLU 10 -12.955 -11.440 2.402
43 HB3 GLU 10 2HB GLU 10 -12.664 -10.052 3.440
44 HG2 GLU 10 1HG GLU 10 -14.593 -9.007 2.829
45 HG3 GLU 10 2HG GLU 10 -14.622 -9.752 1.232
46 H ARG 11 H ARG 11 -10.559 -7.726 1.338
47 HA ARG 11 HA ARG 11 -8.550 -8.816 3.164
48 HB2 ARG 11 1HB ARG 11 -8.061 -7.900 0.343
49 HB3 ARG 11 2HB ARG 11 -6.791 -7.811 1.556
50 HG2 ARG 11 1HG ARG 11 -6.547 -10.077 1.672
51 HG3 ARG 11 2HG ARG 11 -8.220 -10.391 1.206
52 HD2 ARG 11 1HD ARG 11 -6.971 -11.062 -0.651
53 HD3 ARG 11 2HD ARG 11 -7.560 -9.458 -1.083
54 HE ARG 11 HE ARG 11 -5.397 -8.706 -1.103
55 HH11 ARG 11 1HH1 ARG 11 -5.526 -11.782 0.523
56 HH12 ARG 11 2HH1 ARG 11 -3.805 -11.947 0.625
57 HH21 ARG 11 1HH2 ARG 11 -3.129 -8.912 -0.975
58 HH22 ARG 11 2HH2 ARG 11 -2.442 -10.314 -0.226
59 H HIS 12 H HIS 12 -7.446 -7.285 4.358
60 HA HIS 12 HA HIS 12 -8.611 -4.602 4.290
61 HB2 HIS 12 1HB HIS 12 -7.342 -4.415 6.526
62 HB3 HIS 12 2HB HIS 12 -8.747 -5.475 6.463
63 HD1 HIS 12 HD1 HIS 12 -8.075 -7.154 8.208
64 HD2 HIS 12 HD2 HIS 12 -5.136 -6.569 5.330
65 HE1 HIS 12 HE1 HIS 12 -6.344 -8.925 8.646
66 H TYR 13 H TYR 13 -7.156 -2.748 4.730
67 HA TYR 13 HA TYR 13 -4.929 -2.820 2.909
68 HB2 TYR 13 1HB TYR 13 -5.639 -0.505 4.697
69 HB3 TYR 13 2HB TYR 13 -4.864 -0.472 3.117
70 HD1 TYR 13 HD2 TYR 13 -8.070 -0.953 4.875
71 HD2 TYR 13 HD1 TYR 13 -6.155 -0.462 1.107
72 HE1 TYR 13 HE2 TYR 13 -10.259 -0.585 3.817
73 HE2 TYR 13 HE1 TYR 13 -8.339 -0.091 0.039
74 HH TYR 13 HH TYR 13 -11.316 0.054 1.946
75 H GLU 14 H GLU 14 -3.156 -3.848 3.626
76 HA GLU 14 HA GLU 14 -2.244 -3.392 6.369
77 HB2 GLU 14 1HB GLU 14 -1.710 -5.474 4.297
78 HB3 GLU 14 2HB GLU 14 -0.481 -5.171 5.517
79 HG2 GLU 14 1HG GLU 14 -1.949 -5.768 7.275
80 HG3 GLU 14 2HG GLU 14 -3.342 -5.780 6.195
81 H CYS 15 H CYS 15 -0.320 -2.434 6.872
82 HA CYS 15 HA CYS 15 0.782 -0.635 4.945
83 HB2 CYS 15 1HB CYS 15 0.573 -0.188 7.422
84 HB3 CYS 15 2HB CYS 15 1.908 -1.309 7.667
85 H SER 16 H SER 16 2.253 -1.117 3.470
86 HA SER 16 HA SER 16 3.800 -3.558 3.674
87 HB2 SER 16 1HB SER 16 2.676 -2.502 1.544
88 HB3 SER 16 2HB SER 16 4.168 -1.566 1.466
89 HG SER 16 HG SER 16 4.714 -3.327 0.370
90 H GLU 17 H GLU 17 4.370 -1.451 5.580
91 HA GLU 17 HA GLU 17 7.171 -0.903 4.847
92 HB2 GLU 17 1HB GLU 17 5.323 0.821 6.507
93 HB3 GLU 17 2HB GLU 17 7.036 1.129 6.259
94 HG2 GLU 17 1HG GLU 17 5.303 0.836 3.867
95 HG3 GLU 17 2HG GLU 17 5.186 2.319 4.813
96 H CYS 18 H CYS 18 4.910 -1.453 7.524
97 HA CYS 18 HA CYS 18 7.163 -2.504 9.107
98 HB2 CYS 18 1HB CYS 18 5.705 -2.013 11.103
99 HB3 CYS 18 2HB CYS 18 6.268 -0.592 10.229
100 H GLY 19 H GLY 19 3.676 -2.903 8.502
101 HA2 GLY 19 1HA GLY 19 3.114 -5.266 7.810
102 HA3 GLY 19 2HA GLY 19 3.974 -5.740 9.267
103 H LYS 20 H LYS 20 1.789 -2.992 8.920
104 HA LYS 20 HA LYS 20 0.139 -4.122 11.059
105 HB2 LYS 20 1HB LYS 20 1.162 -1.685 10.947
106 HB3 LYS 20 2HB LYS 20 -0.275 -1.366 9.984
107 HG2 LYS 20 1HG LYS 20 -1.689 -1.621 11.750
108 HG3 LYS 20 2HG LYS 20 -0.625 -2.757 12.582
109 HD2 LYS 20 1HD LYS 20 0.948 -0.717 12.843
110 HD3 LYS 20 2HD LYS 20 -0.495 0.235 12.486
111 HE2 LYS 20 1HE LYS 20 -0.476 0.111 14.813
112 HE3 LYS 20 2HE LYS 20 -1.615 -1.148 14.338
113 HZ1 LYS 20 3HZ LYS 20 -0.350 -2.687 15.282
114 HZ2 LYS 20 1HZ LYS 20 0.591 -1.448 15.946
115 HZ3 LYS 20 2HZ LYS 20 1.040 -2.157 14.478
116 H ALA 21 H ALA 21 -2.271 -3.392 10.857
117 HA ALA 21 HA ALA 21 -3.233 -3.667 8.105
118 HB1 ALA 21 3HB ALA 21 -4.496 -5.330 10.248
119 HB2 ALA 21 1HB ALA 21 -4.563 -5.524 8.496
120 HB3 ALA 21 2HB ALA 21 -3.083 -5.917 9.372
121 H PHE 22 H PHE 22 -4.800 -2.256 7.689
122 HA PHE 22 HA PHE 22 -6.323 -1.151 9.957
123 HB2 PHE 22 1HB PHE 22 -5.490 0.251 7.408
124 HB3 PHE 22 2HB PHE 22 -6.481 0.957 8.681
125 HD1 PHE 22 HD1 PHE 22 -5.506 1.583 10.814
126 HD2 PHE 22 HD2 PHE 22 -3.119 -0.039 7.686
127 HE1 PHE 22 HE1 PHE 22 -3.475 2.353 11.970
128 HE2 PHE 22 HE2 PHE 22 -1.084 0.727 8.838
129 HZ PHE 22 HZ PHE 22 -1.260 1.924 10.983
130 H ILE 23 H ILE 23 -8.518 -0.638 9.606
131 HA ILE 23 HA ILE 23 -9.854 -2.440 7.821
132 HB ILE 23 HB ILE 23 -10.789 -1.965 10.028
133 HG12 ILE 23 1HG1 ILE 23 -13.132 -1.395 9.283
134 HG13 ILE 23 2HG1 ILE 23 -12.473 -1.071 7.683
135 HG21 ILE 23 1HG2 ILE 23 -11.409 0.104 10.791
136 HG22 ILE 23 2HG2 ILE 23 -10.025 0.536 9.788
137 HG23 ILE 23 3HG2 ILE 23 -11.663 0.748 9.169
138 HD11 ILE 23 3HD1 ILE 23 -12.578 -3.214 7.169
139 HD12 ILE 23 1HD1 ILE 23 -11.595 -3.639 8.571
140 HD13 ILE 23 2HD1 ILE 23 -13.348 -3.517 8.727
141 H GLN 24 H GLN 24 -9.136 0.986 7.873
142 HA GLN 24 HA GLN 24 -10.581 1.307 5.328
143 HB2 GLN 24 1HB GLN 24 -9.940 3.214 7.551
144 HB3 GLN 24 2HB GLN 24 -10.219 3.824 5.925
145 HG2 GLN 24 1HG GLN 24 -12.424 2.738 5.919
146 HG3 GLN 24 2HG GLN 24 -12.143 2.201 7.575
147 HE21 GLN 24 1HE2 GLN 24 -13.407 4.611 5.642
148 HE22 GLN 24 2HE2 GLN 24 -13.605 5.837 6.842
149 H LYS 25 H LYS 25 -9.573 2.842 3.776
150 HA LYS 25 HA LYS 25 -6.785 2.153 3.430
151 HB2 LYS 25 1HB LYS 25 -8.208 2.039 1.487
152 HB3 LYS 25 2HB LYS 25 -8.728 3.704 1.712
153 HG2 LYS 25 1HG LYS 25 -7.190 4.019 0.077
154 HG3 LYS 25 2HG LYS 25 -6.132 4.162 1.483
155 HD2 LYS 25 1HD LYS 25 -6.574 1.465 0.296
156 HD3 LYS 25 2HD LYS 25 -5.512 2.595 -0.547
157 HE2 LYS 25 1HE LYS 25 -4.296 2.895 1.645
158 HE3 LYS 25 2HE LYS 25 -5.236 1.535 2.258
159 HZ1 LYS 25 3HZ LYS 25 -3.284 0.566 1.514
160 HZ2 LYS 25 1HZ LYS 25 -3.179 1.552 0.143
161 HZ3 LYS 25 2HZ LYS 25 -4.333 0.317 0.210
162 H SER 26 H SER 26 -8.710 5.016 4.117
163 HA SER 26 HA SER 26 -6.587 6.886 3.851
164 HB2 SER 26 1HB SER 26 -9.180 7.102 5.400
165 HB3 SER 26 2HB SER 26 -8.104 8.447 5.022
166 HG SER 26 HG SER 26 -8.902 8.512 3.080
167 H THR 27 H THR 27 -8.170 5.494 6.725
168 HA THR 27 HA THR 27 -6.734 6.618 8.738
169 HB THR 27 HB THR 27 -7.685 3.766 8.489
170 HG1 THR 27 HG1 THR 27 -9.072 5.828 8.721
171 HG21 THR 27 3HG2 THR 27 -6.215 5.122 10.704
172 HG22 THR 27 1HG2 THR 27 -6.107 3.456 10.137
173 HG23 THR 27 2HG2 THR 27 -7.489 3.971 11.104
174 H LEU 28 H LEU 28 -5.687 3.990 6.631
175 HA LEU 28 HA LEU 28 -3.300 3.378 8.017
176 HB2 LEU 28 1HB LEU 28 -3.876 1.704 6.575
177 HB3 LEU 28 2HB LEU 28 -4.413 2.821 5.322
178 HG LEU 28 HG LEU 28 -1.995 3.322 4.866
179 HD11 LEU 28 1HD1 LEU 28 -1.056 2.608 6.983
180 HD12 LEU 28 2HD1 LEU 28 -0.346 1.686 5.658
181 HD13 LEU 28 3HD1 LEU 28 -1.579 0.951 6.682
182 HD21 LEU 28 3HD2 LEU 28 -3.610 1.297 3.954
183 HD22 LEU 28 1HD2 LEU 28 -2.126 0.449 4.391
184 HD23 LEU 28 2HD2 LEU 28 -2.072 1.789 3.244
185 H SER 29 H SER 29 -3.968 5.472 5.228
186 HA SER 29 HA SER 29 -1.412 6.258 4.579
187 HB2 SER 29 1HB SER 29 -4.067 7.644 4.436
188 HB3 SER 29 2HB SER 29 -2.601 8.528 4.013
189 HG SER 29 HG SER 29 -3.347 6.034 2.883
190 H MET 30 H MET 30 -3.460 7.403 7.203
191 HA MET 30 HA MET 30 -1.815 9.573 7.984
192 HB2 MET 30 1HB MET 30 -3.680 8.001 9.762
193 HB3 MET 30 2HB MET 30 -3.150 9.664 9.977
194 HG2 MET 30 1HG MET 30 -4.287 9.999 7.641
195 HG3 MET 30 2HG MET 30 -5.163 8.540 8.099
196 HE1 MET 30 3HE MET 30 -6.337 11.912 7.754
197 HE2 MET 30 1HE MET 30 -6.011 12.745 9.274
198 HE3 MET 30 2HE MET 30 -4.673 12.150 8.290
199 H HIS 31 H HIS 31 -1.657 6.164 8.518
200 HA HIS 31 HA HIS 31 0.181 6.396 10.753
201 HB2 HIS 31 1HB HIS 31 -1.123 4.517 11.061
202 HB3 HIS 31 2HB HIS 31 -1.180 4.144 9.341
203 HD1 HIS 31 HD1 HIS 31 0.978 3.714 12.380
204 HD2 HIS 31 HD2 HIS 31 0.849 2.488 8.412
205 HE1 HIS 31 HE1 HIS 31 2.715 1.907 12.178
206 H GLN 32 H GLN 32 0.266 5.227 7.397
207 HA GLN 32 HA GLN 32 2.860 4.390 7.195
208 HB2 GLN 32 1HB GLN 32 1.063 5.789 5.240
209 HB3 GLN 32 2HB GLN 32 2.709 5.365 4.790
210 HG2 GLN 32 1HG GLN 32 2.138 2.999 5.492
211 HG3 GLN 32 2HG GLN 32 0.458 3.531 5.544
212 HE21 GLN 32 1HE2 GLN 32 -0.323 2.368 3.869
213 HE22 GLN 32 2HE2 GLN 32 0.188 2.563 2.230
214 H ARG 33 H ARG 33 1.749 7.579 7.774
215 HA ARG 33 HA ARG 33 3.765 9.159 6.719
216 HB2 ARG 33 1HB ARG 33 3.093 10.845 8.238
217 HB3 ARG 33 2HB ARG 33 1.645 9.908 7.896
218 HG2 ARG 33 1HG ARG 33 1.872 8.733 10.003
219 HG3 ARG 33 2HG ARG 33 3.377 9.591 10.339
220 HD2 ARG 33 1HD ARG 33 0.742 10.978 9.895
221 HD3 ARG 33 2HD ARG 33 1.323 10.491 11.487
222 HE ARG 33 HE ARG 33 3.195 12.098 10.012
223 HH11 ARG 33 1HH1 ARG 33 0.458 12.135 12.163
224 HH12 ARG 33 2HH1 ARG 33 0.806 13.712 12.789
225 HH21 ARG 33 1HH2 ARG 33 3.664 14.176 10.829
226 HH22 ARG 33 2HH2 ARG 33 2.629 14.873 12.029
227 H ILE 34 H ILE 34 3.759 7.158 9.595
228 HA ILE 34 HA ILE 34 6.076 8.179 10.820
229 HB ILE 34 HB ILE 34 6.135 6.183 12.130
230 HG12 ILE 34 1HG1 ILE 34 4.127 4.914 10.269
231 HG13 ILE 34 2HG1 ILE 34 5.861 4.663 10.103
232 HG21 ILE 34 1HG2 ILE 34 3.601 5.923 12.638
233 HG22 ILE 34 2HG2 ILE 34 4.388 7.477 12.911
234 HG23 ILE 34 3HG2 ILE 34 3.415 7.224 11.463
235 HD11 ILE 34 3HD1 ILE 34 5.935 3.716 12.351
236 HD12 ILE 34 1HD1 ILE 34 4.196 3.963 12.510
237 HD13 ILE 34 2HD1 ILE 34 4.821 2.835 11.306
238 H HIS 35 H HIS 35 5.743 6.613 7.889
239 HA HIS 35 HA HIS 35 8.466 5.511 7.977
240 HB2 HIS 35 1HB HIS 35 6.329 5.068 5.883
241 HB3 HIS 35 2HB HIS 35 7.874 4.232 5.999
242 HD1 HIS 35 HD1 HIS 35 7.991 3.264 8.799
243 HD2 HIS 35 HD2 HIS 35 4.445 3.293 6.634
244 HE1 HIS 35 HE1 HIS 35 6.511 1.562 9.911
245 H ARG 36 H ARG 36 6.460 7.931 6.502
246 HA ARG 36 HA ARG 36 8.039 8.562 4.269
247 HB2 ARG 36 1HB ARG 36 6.646 10.358 3.975
248 HB3 ARG 36 2HB ARG 36 5.651 9.387 5.052
249 HG2 ARG 36 1HG ARG 36 6.549 10.713 6.962
250 HG3 ARG 36 2HG ARG 36 7.352 11.756 5.786
251 HD2 ARG 36 1HD ARG 36 4.440 11.242 5.467
252 HD3 ARG 36 2HD ARG 36 4.960 12.334 6.751
253 HE ARG 36 HE ARG 36 6.270 13.162 4.472
254 HH11 ARG 36 1HH1 ARG 36 2.968 12.782 5.506
255 HH12 ARG 36 2HH1 ARG 36 2.370 14.065 4.507
256 HH21 ARG 36 1HH2 ARG 36 5.495 14.853 3.152
257 HH22 ARG 36 2HH2 ARG 36 3.808 15.242 3.167
258 H GLY 37 H GLY 37 8.369 9.344 7.646
259 HA2 GLY 37 1HA GLY 37 11.062 10.156 7.353
260 HA3 GLY 37 2HA GLY 37 10.037 11.575 7.514
261 H GLU 38 H GLU 38 11.454 8.867 9.121
262 HA GLU 38 HA GLU 38 11.060 10.087 11.680
263 HB2 GLU 38 1HB GLU 38 8.880 8.822 11.149
264 HB3 GLU 38 2HB GLU 38 9.827 7.359 11.381
265 HG2 GLU 38 1HG GLU 38 9.905 9.437 13.500
266 HG3 GLU 38 2HG GLU 38 8.455 8.447 13.344
267 H LYS 39 H LYS 39 13.136 9.930 12.263
268 HA LYS 39 HA LYS 39 14.268 7.252 12.568
269 HB2 LYS 39 1HB LYS 39 15.506 9.506 11.007
270 HB3 LYS 39 2HB LYS 39 16.501 8.260 11.750
271 HG2 LYS 39 1HG LYS 39 14.259 7.645 9.846
272 HG3 LYS 39 2HG LYS 39 15.925 7.913 9.328
273 HD2 LYS 39 1HD LYS 39 16.697 6.000 10.428
274 HD3 LYS 39 2HD LYS 39 15.260 5.896 11.448
275 HE2 LYS 39 1HE LYS 39 15.024 5.633 8.478
276 HE3 LYS 39 2HE LYS 39 15.546 4.258 9.449
277 HZ1 LYS 39 3HZ LYS 39 13.261 4.010 9.331
278 HZ2 LYS 39 1HZ LYS 39 12.955 5.667 9.488
279 HZ3 LYS 39 2HZ LYS 39 13.465 4.771 10.829
280 HA PRO 40 HA PRO 40 15.648 8.761 16.453
281 HB2 PRO 40 1HB PRO 40 17.897 7.285 16.820
282 HB3 PRO 40 2HB PRO 40 16.271 6.602 16.935
283 HG2 PRO 40 1HG PRO 40 18.206 6.513 14.653
284 HG3 PRO 40 2HG PRO 40 17.176 5.221 15.297
285 HD2 PRO 40 1HD PRO 40 16.534 6.623 13.071
286 HD3 PRO 40 2HD PRO 40 15.307 5.984 14.184
287 H SER 41 H SER 41 16.254 10.880 16.252
288 HA SER 41 HA SER 41 18.357 11.919 14.780
289 HB2 SER 41 1HB SER 41 17.279 12.966 17.409
290 HB3 SER 41 2HB SER 41 18.208 13.893 16.231
291 HG SER 41 HG SER 41 16.402 14.263 15.249
292 H GLY 42 H GLY 42 20.511 12.067 15.032
293 HA2 GLY 42 1HA GLY 42 21.648 10.879 17.483
294 HA3 GLY 42 2HA GLY 42 22.418 10.839 15.904
295 HA PRO 43 HA PRO 43 24.828 14.248 17.331
296 HB2 PRO 43 1HB PRO 43 25.928 14.932 14.945
297 HB3 PRO 43 2HB PRO 43 26.440 13.514 15.867
298 HG2 PRO 43 1HG PRO 43 24.579 13.683 13.529
299 HG3 PRO 43 2HG PRO 43 25.861 12.503 13.855
300 HD2 PRO 43 1HD PRO 43 23.245 11.975 14.311
301 HD3 PRO 43 2HD PRO 43 24.545 11.285 15.303
302 H SER 44 H SER 44 22.301 14.450 15.007
303 HA SER 44 HA SER 44 22.412 17.156 14.300
304 HB2 SER 44 1HB SER 44 20.076 16.928 13.671
305 HB3 SER 44 2HB SER 44 20.944 15.463 13.214
306 HG SER 44 HG SER 44 19.001 15.851 15.168
307 H SER 45 H SER 45 21.522 19.004 15.163
308 HA SER 45 HA SER 45 21.177 18.998 18.028
309 HB2 SER 45 1HB SER 45 21.066 21.445 17.799
310 HB3 SER 45 2HB SER 45 22.458 20.790 16.937
311 HG SER 45 HG SER 45 20.942 20.810 15.051
312 H GLY 46 H GLY 46 19.233 17.810 18.259
313 HA2 GLY 46 1HA GLY 46 16.928 19.227 18.664
314 HA3 GLY 46 2HA GLY 46 16.805 18.679 16.998
Start of MODEL 18
1 H1 GLY 1 H GLY 1 -1.938 -6.141 -24.372
2 HA2 GLY 1 1HA GLY 1 0.025 -7.720 -24.405
3 HA3 GLY 1 2HA GLY 1 0.343 -6.223 -23.542
4 H SER 2 H SER 2 1.947 -7.322 -22.315
5 HA SER 2 HA SER 2 1.404 -9.609 -20.747
6 HB2 SER 2 1HB SER 2 3.686 -8.588 -21.412
7 HB3 SER 2 2HB SER 2 3.466 -7.543 -20.009
8 HG SER 2 HG SER 2 4.591 -9.730 -19.817
9 H SER 3 H SER 3 0.496 -9.852 -18.798
10 HA SER 3 HA SER 3 -0.936 -7.683 -17.629
11 HB2 SER 3 1HB SER 3 -1.726 -9.296 -16.018
12 HB3 SER 3 2HB SER 3 -1.692 -10.076 -17.599
13 HG SER 3 HG SER 3 -0.212 -11.406 -16.906
14 H GLY 4 H GLY 4 -0.781 -7.184 -15.256
15 HA2 GLY 4 1HA GLY 4 1.683 -7.596 -13.883
16 HA3 GLY 4 2HA GLY 4 1.635 -6.003 -14.624
17 H SER 5 H SER 5 -0.594 -8.084 -12.769
18 HA SER 5 HA SER 5 -1.129 -5.767 -11.029
19 HB2 SER 5 1HB SER 5 -3.471 -6.631 -10.807
20 HB3 SER 5 2HB SER 5 -3.072 -6.071 -12.431
21 HG SER 5 HG SER 5 -2.456 -8.494 -12.622
22 H SER 6 H SER 6 0.143 -6.365 -9.332
23 HA SER 6 HA SER 6 -0.522 -8.929 -8.038
24 HB2 SER 6 1HB SER 6 1.868 -8.557 -9.051
25 HB3 SER 6 2HB SER 6 2.124 -7.586 -7.601
26 HG SER 6 HG SER 6 1.842 -9.356 -6.351
27 H GLY 7 H GLY 7 -1.574 -8.660 -6.191
28 HA2 GLY 7 1HA GLY 7 -0.923 -6.294 -4.546
29 HA3 GLY 7 2HA GLY 7 -2.581 -6.820 -4.793
30 H THR 8 H THR 8 -0.363 -6.714 -2.518
31 HA THR 8 HA THR 8 -0.477 -9.436 -1.545
32 HB THR 8 HB THR 8 0.607 -6.950 -0.205
33 HG1 THR 8 HG1 THR 8 1.794 -8.962 -1.821
34 HG21 THR 8 3HG2 THR 8 0.036 -9.478 0.878
35 HG22 THR 8 1HG2 THR 8 0.989 -8.188 1.609
36 HG23 THR 8 2HG2 THR 8 1.783 -9.432 0.645
37 H GLY 9 H GLY 9 -1.714 -6.265 -0.494
38 HA2 GLY 9 1HA GLY 9 -3.364 -7.557 1.536
39 HA3 GLY 9 2HA GLY 9 -3.165 -5.827 1.301
40 H GLU 10 H GLU 10 -4.886 -8.689 0.288
41 HA GLU 10 HA GLU 10 -6.584 -7.147 -1.513
42 HB2 GLU 10 1HB GLU 10 -5.926 -9.296 -2.346
43 HB3 GLU 10 2HB GLU 10 -6.437 -10.090 -0.864
44 HG2 GLU 10 1HG GLU 10 -8.411 -8.601 -2.540
45 HG3 GLU 10 2HG GLU 10 -7.926 -10.242 -2.965
46 H ARG 11 H ARG 11 -7.016 -9.311 1.289
47 HA ARG 11 HA ARG 11 -9.729 -8.840 1.694
48 HB2 ARG 11 1HB ARG 11 -7.486 -9.749 3.448
49 HB3 ARG 11 2HB ARG 11 -9.035 -9.360 4.185
50 HG2 ARG 11 1HG ARG 11 -10.145 -11.060 3.001
51 HG3 ARG 11 2HG ARG 11 -8.795 -11.272 1.885
52 HD2 ARG 11 1HD ARG 11 -8.662 -13.093 3.364
53 HD3 ARG 11 2HD ARG 11 -7.427 -11.961 3.913
54 HE ARG 11 HE ARG 11 -8.557 -11.767 5.884
55 HH11 ARG 11 1HH1 ARG 11 -10.729 -13.028 3.474
56 HH12 ARG 11 2HH1 ARG 11 -12.022 -13.303 4.595
57 HH21 ARG 11 1HH2 ARG 11 -10.250 -12.124 7.370
58 HH22 ARG 11 2HH2 ARG 11 -11.749 -12.787 6.810
59 H HIS 12 H HIS 12 -7.012 -7.360 3.475
60 HA HIS 12 HA HIS 12 -8.602 -4.907 3.721
61 HB2 HIS 12 1HB HIS 12 -7.689 -4.717 6.101
62 HB3 HIS 12 2HB HIS 12 -8.978 -5.888 5.837
63 HD1 HIS 12 HD1 HIS 12 -8.533 -8.196 6.638
64 HD2 HIS 12 HD2 HIS 12 -5.036 -5.998 6.186
65 HE1 HIS 12 HE1 HIS 12 -6.696 -9.662 7.534
66 H TYR 13 H TYR 13 -7.317 -3.003 4.239
67 HA TYR 13 HA TYR 13 -4.948 -2.880 2.697
68 HB2 TYR 13 1HB TYR 13 -5.731 -0.818 4.744
69 HB3 TYR 13 2HB TYR 13 -4.897 -0.581 3.212
70 HD1 TYR 13 HD2 TYR 13 -8.165 -1.255 4.777
71 HD2 TYR 13 HD1 TYR 13 -6.113 -0.318 1.169
72 HE1 TYR 13 HE2 TYR 13 -10.313 -0.738 3.695
73 HE2 TYR 13 HE1 TYR 13 -8.254 0.202 0.078
74 HH TYR 13 HH TYR 13 -11.274 -0.586 1.487
75 H GLU 14 H GLU 14 -2.952 -3.436 3.232
76 HA GLU 14 HA GLU 14 -2.220 -3.477 6.087
77 HB2 GLU 14 1HB GLU 14 -1.473 -5.357 3.856
78 HB3 GLU 14 2HB GLU 14 -0.537 -5.261 5.341
79 HG2 GLU 14 1HG GLU 14 -2.662 -5.750 6.588
80 HG3 GLU 14 2HG GLU 14 -3.407 -6.089 5.027
81 H CYS 15 H CYS 15 -0.244 -2.655 6.687
82 HA CYS 15 HA CYS 15 0.906 -0.711 4.929
83 HB2 CYS 15 1HB CYS 15 0.687 -0.421 7.408
84 HB3 CYS 15 2HB CYS 15 1.938 -1.642 7.615
85 H SER 16 H SER 16 2.679 -0.847 3.693
86 HA SER 16 HA SER 16 3.953 -3.428 3.401
87 HB2 SER 16 1HB SER 16 3.389 -2.217 1.379
88 HB3 SER 16 2HB SER 16 4.321 -0.818 1.912
89 HG SER 16 HG SER 16 5.895 -2.969 1.969
90 H GLU 17 H GLU 17 4.493 -0.645 5.213
91 HA GLU 17 HA GLU 17 7.380 -0.805 5.231
92 HB2 GLU 17 1HB GLU 17 5.439 0.828 6.873
93 HB3 GLU 17 2HB GLU 17 7.188 0.945 7.011
94 HG2 GLU 17 1HG GLU 17 5.582 1.525 4.532
95 HG3 GLU 17 2HG GLU 17 6.256 2.728 5.630
96 H CYS 18 H CYS 18 5.079 -0.843 7.948
97 HA CYS 18 HA CYS 18 6.870 -2.595 9.423
98 HB2 CYS 18 1HB CYS 18 5.225 -2.231 11.286
99 HB3 CYS 18 2HB CYS 18 5.967 -0.758 10.672
100 H GLY 19 H GLY 19 3.493 -2.601 8.303
101 HA2 GLY 19 1HA GLY 19 2.780 -4.742 7.249
102 HA3 GLY 19 2HA GLY 19 3.508 -5.538 8.636
103 H LYS 20 H LYS 20 2.027 -2.665 9.543
104 HA LYS 20 HA LYS 20 0.015 -4.029 11.034
105 HB2 LYS 20 1HB LYS 20 1.277 -1.739 11.463
106 HB3 LYS 20 2HB LYS 20 -0.104 -1.079 10.598
107 HG2 LYS 20 1HG LYS 20 -1.511 -2.449 12.278
108 HG3 LYS 20 2HG LYS 20 -0.025 -2.495 13.229
109 HD2 LYS 20 1HD LYS 20 0.019 -0.161 13.475
110 HD3 LYS 20 2HD LYS 20 -1.138 0.085 12.165
111 HE2 LYS 20 1HE LYS 20 -2.409 0.441 14.080
112 HE3 LYS 20 2HE LYS 20 -2.775 -1.230 13.655
113 HZ1 LYS 20 3HZ LYS 20 -1.911 -1.954 15.555
114 HZ2 LYS 20 1HZ LYS 20 -1.903 -0.346 16.080
115 HZ3 LYS 20 2HZ LYS 20 -0.512 -1.017 15.391
116 H ALA 21 H ALA 21 -2.121 -4.280 10.643
117 HA ALA 21 HA ALA 21 -3.073 -3.511 7.981
118 HB1 ALA 21 3HB ALA 21 -4.351 -5.418 9.933
119 HB2 ALA 21 1HB ALA 21 -4.752 -5.202 8.229
120 HB3 ALA 21 2HB ALA 21 -3.196 -5.894 8.688
121 H PHE 22 H PHE 22 -4.839 -2.237 7.650
122 HA PHE 22 HA PHE 22 -6.169 -1.140 10.037
123 HB2 PHE 22 1HB PHE 22 -5.496 0.436 7.546
124 HB3 PHE 22 2HB PHE 22 -6.196 1.057 9.038
125 HD1 PHE 22 HD2 PHE 22 -3.170 -0.755 7.831
126 HD2 PHE 22 HD1 PHE 22 -4.809 2.062 10.569
127 HE1 PHE 22 HE2 PHE 22 -0.913 -0.276 8.685
128 HE2 PHE 22 HE1 PHE 22 -2.555 2.546 11.426
129 HZ PHE 22 HZ PHE 22 -0.603 1.375 10.485
130 H ILE 23 H ILE 23 -8.352 -0.890 9.936
131 HA ILE 23 HA ILE 23 -9.808 -2.406 8.065
132 HB ILE 23 HB ILE 23 -10.669 -1.982 10.303
133 HG12 ILE 23 1HG1 ILE 23 -12.999 -1.236 9.650
134 HG13 ILE 23 2HG1 ILE 23 -12.361 -0.907 8.042
135 HG21 ILE 23 1HG2 ILE 23 -11.154 0.865 9.452
136 HG22 ILE 23 2HG2 ILE 23 -11.427 0.152 11.041
137 HG23 ILE 23 3HG2 ILE 23 -9.783 0.357 10.438
138 HD11 ILE 23 3HD1 ILE 23 -12.850 -3.501 9.399
139 HD12 ILE 23 1HD1 ILE 23 -13.197 -3.004 7.743
140 HD13 ILE 23 2HD1 ILE 23 -11.544 -3.395 8.219
141 H GLN 24 H GLN 24 -9.385 1.105 8.407
142 HA GLN 24 HA GLN 24 -10.757 1.516 5.858
143 HB2 GLN 24 1HB GLN 24 -10.031 3.271 8.162
144 HB3 GLN 24 2HB GLN 24 -10.236 4.006 6.578
145 HG2 GLN 24 1HG GLN 24 -12.497 3.063 6.449
146 HG3 GLN 24 2HG GLN 24 -12.287 2.375 8.058
147 HE21 GLN 24 1HE2 GLN 24 -12.552 5.347 6.230
148 HE22 GLN 24 2HE2 GLN 24 -13.025 6.347 7.557
149 H LYS 25 H LYS 25 -9.805 2.735 4.162
150 HA LYS 25 HA LYS 25 -7.087 2.084 3.666
151 HB2 LYS 25 1HB LYS 25 -9.079 2.517 2.014
152 HB3 LYS 25 2HB LYS 25 -8.539 4.189 2.106
153 HG2 LYS 25 1HG LYS 25 -6.608 1.996 1.466
154 HG3 LYS 25 2HG LYS 25 -7.645 2.688 0.216
155 HD2 LYS 25 1HD LYS 25 -6.770 4.938 0.824
156 HD3 LYS 25 2HD LYS 25 -5.645 4.153 1.935
157 HE2 LYS 25 1HE LYS 25 -4.847 2.809 -0.069
158 HE3 LYS 25 2HE LYS 25 -5.760 3.943 -1.064
159 HZ1 LYS 25 3HZ LYS 25 -4.445 5.750 -0.062
160 HZ2 LYS 25 1HZ LYS 25 -3.491 4.652 -0.926
161 HZ3 LYS 25 2HZ LYS 25 -3.516 4.603 0.764
162 H SER 26 H SER 26 -8.727 5.194 4.236
163 HA SER 26 HA SER 26 -6.500 6.847 4.116
164 HB2 SER 26 1HB SER 26 -9.067 7.372 4.421
165 HB3 SER 26 2HB SER 26 -8.640 7.412 6.132
166 HG SER 26 HG SER 26 -8.171 9.418 5.610
167 H THR 27 H THR 27 -7.939 5.297 6.980
168 HA THR 27 HA THR 27 -6.360 6.207 8.986
169 HB THR 27 HB THR 27 -7.168 3.316 8.614
170 HG1 THR 27 HG1 THR 27 -8.743 5.299 8.739
171 HG21 THR 27 3HG2 THR 27 -6.770 4.694 11.245
172 HG22 THR 27 1HG2 THR 27 -5.404 3.966 10.401
173 HG23 THR 27 2HG2 THR 27 -6.777 2.969 10.882
174 H LEU 28 H LEU 28 -5.432 3.982 6.454
175 HA LEU 28 HA LEU 28 -2.936 3.253 7.683
176 HB2 LEU 28 1HB LEU 28 -3.702 1.589 6.290
177 HB3 LEU 28 2HB LEU 28 -4.271 2.728 5.071
178 HG LEU 28 HG LEU 28 -1.904 3.147 4.437
179 HD11 LEU 28 1HD1 LEU 28 -1.271 0.771 6.172
180 HD12 LEU 28 2HD1 LEU 28 -0.970 2.441 6.651
181 HD13 LEU 28 3HD1 LEU 28 -0.147 1.765 5.246
182 HD21 LEU 28 3HD2 LEU 28 -2.274 1.622 2.870
183 HD22 LEU 28 1HD2 LEU 28 -3.535 0.912 3.879
184 HD23 LEU 28 2HD2 LEU 28 -1.875 0.327 4.000
185 H SER 29 H SER 29 -3.846 5.214 4.850
186 HA SER 29 HA SER 29 -1.347 6.093 4.093
187 HB2 SER 29 1HB SER 29 -3.527 6.530 2.902
188 HB3 SER 29 2HB SER 29 -3.828 7.821 4.065
189 HG SER 29 HG SER 29 -1.478 7.694 2.492
190 H MET 30 H MET 30 -3.422 7.308 6.667
191 HA MET 30 HA MET 30 -1.753 9.552 7.279
192 HB2 MET 30 1HB MET 30 -3.205 9.906 9.160
193 HB3 MET 30 2HB MET 30 -4.196 9.453 7.780
194 HG2 MET 30 1HG MET 30 -4.401 7.196 8.630
195 HG3 MET 30 2HG MET 30 -3.339 7.589 9.980
196 HE1 MET 30 3HE MET 30 -4.412 6.974 11.694
197 HE2 MET 30 1HE MET 30 -5.452 8.075 12.598
198 HE3 MET 30 2HE MET 30 -6.161 6.740 11.691
199 H HIS 31 H HIS 31 -1.641 6.221 7.983
200 HA HIS 31 HA HIS 31 -0.069 6.543 10.408
201 HB2 HIS 31 1HB HIS 31 -1.367 4.661 10.664
202 HB3 HIS 31 2HB HIS 31 -1.295 4.247 8.954
203 HD1 HIS 31 HD1 HIS 31 0.623 3.885 12.157
204 HD2 HIS 31 HD2 HIS 31 0.797 2.569 8.220
205 HE1 HIS 31 HE1 HIS 31 2.365 2.072 12.131
206 H GLN 32 H GLN 32 0.381 5.174 7.152
207 HA GLN 32 HA GLN 32 2.963 4.357 7.227
208 HB2 GLN 32 1HB GLN 32 1.545 5.865 5.033
209 HB3 GLN 32 2HB GLN 32 3.129 5.132 4.823
210 HG2 GLN 32 1HG GLN 32 2.174 2.940 5.356
211 HG3 GLN 32 2HG GLN 32 0.586 3.685 5.529
212 HE21 GLN 32 1HE2 GLN 32 3.123 2.828 3.295
213 HE22 GLN 32 2HE2 GLN 32 2.171 2.949 1.859
214 H ARG 33 H ARG 33 1.833 7.596 7.545
215 HA ARG 33 HA ARG 33 3.987 9.115 6.732
216 HB2 ARG 33 1HB ARG 33 3.143 10.850 8.067
217 HB3 ARG 33 2HB ARG 33 1.730 9.873 7.688
218 HG2 ARG 33 1HG ARG 33 1.774 8.864 9.865
219 HG3 ARG 33 2HG ARG 33 3.299 9.664 10.248
220 HD2 ARG 33 1HD ARG 33 0.938 11.311 9.466
221 HD3 ARG 33 2HD ARG 33 1.021 10.644 11.096
222 HE ARG 33 HE ARG 33 2.619 12.778 10.008
223 HH11 ARG 33 1HH1 ARG 33 2.387 10.317 12.458
224 HH12 ARG 33 2HH1 ARG 33 3.469 11.117 13.549
225 HH21 ARG 33 1HH2 ARG 33 4.045 13.841 11.435
226 HH22 ARG 33 2HH2 ARG 33 4.411 13.122 12.967
227 H ILE 34 H ILE 34 3.541 7.368 9.770
228 HA ILE 34 HA ILE 34 5.722 8.321 11.193
229 HB ILE 34 HB ILE 34 5.629 6.328 12.519
230 HG12 ILE 34 1HG1 ILE 34 3.799 5.054 10.490
231 HG13 ILE 34 2HG1 ILE 34 5.542 4.815 10.445
232 HG21 ILE 34 1HG2 ILE 34 3.712 7.026 13.387
233 HG22 ILE 34 2HG2 ILE 34 3.370 7.891 11.890
234 HG23 ILE 34 3HG2 ILE 34 2.808 6.233 12.097
235 HD11 ILE 34 3HD1 ILE 34 3.542 3.840 12.414
236 HD12 ILE 34 1HD1 ILE 34 4.875 2.986 11.637
237 HD13 ILE 34 2HD1 ILE 34 5.199 4.125 12.945
238 H HIS 35 H HIS 35 5.660 6.361 8.386
239 HA HIS 35 HA HIS 35 8.383 5.389 8.797
240 HB2 HIS 35 1HB HIS 35 6.437 4.884 6.536
241 HB3 HIS 35 2HB HIS 35 8.016 4.124 6.709
242 HD1 HIS 35 HD1 HIS 35 8.137 3.009 9.390
243 HD2 HIS 35 HD2 HIS 35 4.544 3.136 7.307
244 HE1 HIS 35 HE1 HIS 35 6.681 1.257 10.454
245 H ARG 36 H ARG 36 7.441 8.257 8.169
246 HA ARG 36 HA ARG 36 9.240 8.683 5.874
247 HB2 ARG 36 1HB ARG 36 6.770 10.208 6.701
248 HB3 ARG 36 2HB ARG 36 7.927 10.818 5.525
249 HG2 ARG 36 1HG ARG 36 7.516 8.744 4.181
250 HG3 ARG 36 2HG ARG 36 6.204 8.365 5.300
251 HD2 ARG 36 1HD ARG 36 5.064 10.412 4.720
252 HD3 ARG 36 2HD ARG 36 6.414 10.914 3.704
253 HE ARG 36 HE ARG 36 5.479 8.433 2.796
254 HH11 ARG 36 1HH1 ARG 36 4.466 11.758 2.983
255 HH12 ARG 36 2HH1 ARG 36 3.459 11.667 1.576
256 HH21 ARG 36 1HH2 ARG 36 4.157 8.299 0.943
257 HH22 ARG 36 2HH2 ARG 36 3.283 9.699 0.417
258 H GLY 37 H GLY 37 11.090 8.936 7.145
259 HA2 GLY 37 1HA GLY 37 12.664 10.243 8.203
260 HA3 GLY 37 2HA GLY 37 11.518 11.574 8.143
261 H GLU 38 H GLU 38 13.069 9.317 10.117
262 HA GLU 38 HA GLU 38 11.326 10.063 12.371
263 HB2 GLU 38 1HB GLU 38 11.153 7.634 11.605
264 HB3 GLU 38 2HB GLU 38 12.799 7.440 12.190
265 HG2 GLU 38 1HG GLU 38 12.052 8.153 14.430
266 HG3 GLU 38 2HG GLU 38 10.400 8.235 13.822
267 H LYS 39 H LYS 39 12.369 10.203 14.438
268 HA LYS 39 HA LYS 39 15.138 11.101 14.196
269 HB2 LYS 39 1HB LYS 39 13.652 12.669 15.254
270 HB3 LYS 39 2HB LYS 39 13.074 11.442 16.374
271 HG2 LYS 39 1HG LYS 39 15.353 11.322 17.342
272 HG3 LYS 39 2HG LYS 39 15.827 12.658 16.289
273 HD2 LYS 39 1HD LYS 39 13.934 13.977 17.323
274 HD3 LYS 39 2HD LYS 39 13.794 12.679 18.511
275 HE2 LYS 39 1HE LYS 39 16.374 14.133 17.980
276 HE3 LYS 39 2HE LYS 39 15.202 14.682 19.176
277 HZ1 LYS 39 3HZ LYS 39 16.540 13.384 20.462
278 HZ2 LYS 39 1HZ LYS 39 16.922 12.311 19.211
279 HZ3 LYS 39 2HZ LYS 39 15.417 12.215 19.977
280 HA PRO 40 HA PRO 40 16.704 7.415 16.059
281 HB2 PRO 40 1HB PRO 40 19.165 8.352 16.719
282 HB3 PRO 40 2HB PRO 40 18.702 7.951 15.061
283 HG2 PRO 40 1HG PRO 40 18.806 10.624 16.404
284 HG3 PRO 40 2HG PRO 40 19.345 10.168 14.778
285 HD2 PRO 40 1HD PRO 40 16.987 11.419 15.235
286 HD3 PRO 40 2HD PRO 40 17.211 10.259 13.910
287 H SER 41 H SER 41 15.787 6.898 17.967
288 HA SER 41 HA SER 41 16.476 8.531 20.320
289 HB2 SER 41 1HB SER 41 14.417 7.738 21.353
290 HB3 SER 41 2HB SER 41 14.052 8.445 19.779
291 HG SER 41 HG SER 41 14.584 5.720 19.826
292 H GLY 42 H GLY 42 17.676 7.631 21.867
293 HA2 GLY 42 1HA GLY 42 18.181 5.804 23.347
294 HA3 GLY 42 2HA GLY 42 17.773 4.693 22.048
295 HA PRO 43 HA PRO 43 22.370 4.897 22.224
296 HB2 PRO 43 1HB PRO 43 22.721 2.246 21.757
297 HB3 PRO 43 2HB PRO 43 22.438 2.908 23.371
298 HG2 PRO 43 1HG PRO 43 20.504 1.607 21.492
299 HG3 PRO 43 2HG PRO 43 20.682 1.389 23.243
300 HD2 PRO 43 1HD PRO 43 18.760 2.957 22.158
301 HD3 PRO 43 2HD PRO 43 19.508 3.312 23.729
302 H SER 44 H SER 44 20.011 4.090 19.911
303 HA SER 44 HA SER 44 19.997 3.984 17.638
304 HB2 SER 44 1HB SER 44 21.140 6.202 17.962
305 HB3 SER 44 2HB SER 44 22.684 5.366 17.795
306 HG SER 44 HG SER 44 21.408 6.361 15.857
307 H SER 45 H SER 45 20.659 1.633 18.661
308 HA SER 45 HA SER 45 23.075 0.445 18.190
309 HB2 SER 45 1HB SER 45 21.864 -1.672 17.923
310 HB3 SER 45 2HB SER 45 21.155 -0.710 19.219
311 HG SER 45 HG SER 45 19.659 0.047 17.498
312 H GLY 46 H GLY 46 20.864 1.676 15.862
313 HA2 GLY 46 1HA GLY 46 21.357 2.090 13.611
314 HA3 GLY 46 2HA GLY 46 22.723 0.991 13.732
Start of MODEL 19
1 H1 GLY 1 H GLY 1 7.127 -26.813 0.335
2 HA2 GLY 1 1HA GLY 1 6.479 -24.260 0.174
3 HA3 GLY 1 2HA GLY 1 5.705 -24.843 -1.292
4 H SER 2 H SER 2 3.724 -24.068 -0.299
5 HA SER 2 HA SER 2 2.254 -26.165 0.908
6 HB2 SER 2 1HB SER 2 1.722 -25.014 3.057
7 HB3 SER 2 2HB SER 2 3.406 -25.523 2.943
8 HG SER 2 HG SER 2 2.429 -22.909 2.419
9 H SER 3 H SER 3 0.003 -25.639 1.184
10 HA SER 3 HA SER 3 -0.827 -23.064 0.049
11 HB2 SER 3 1HB SER 3 -1.895 -25.749 -0.858
12 HB3 SER 3 2HB SER 3 -2.458 -24.173 -1.411
13 HG SER 3 HG SER 3 0.247 -24.942 -1.657
14 H GLY 4 H GLY 4 -3.238 -22.738 0.305
15 HA2 GLY 4 1HA GLY 4 -5.089 -23.948 1.731
16 HA3 GLY 4 2HA GLY 4 -3.961 -23.556 3.020
17 H SER 5 H SER 5 -3.461 -21.102 1.038
18 HA SER 5 HA SER 5 -5.161 -19.329 2.552
19 HB2 SER 5 1HB SER 5 -2.786 -18.780 1.972
20 HB3 SER 5 2HB SER 5 -3.277 -18.645 0.283
21 HG SER 5 HG SER 5 -3.279 -16.717 1.930
22 H SER 6 H SER 6 -6.770 -20.984 1.109
23 HA SER 6 HA SER 6 -7.606 -19.522 -1.280
24 HB2 SER 6 1HB SER 6 -7.411 -22.000 -1.375
25 HB3 SER 6 2HB SER 6 -8.678 -22.121 -0.154
26 HG SER 6 HG SER 6 -9.372 -20.536 -2.269
27 H GLY 7 H GLY 7 -8.528 -17.672 -0.388
28 HA2 GLY 7 1HA GLY 7 -11.156 -17.418 -0.036
29 HA3 GLY 7 2HA GLY 7 -10.672 -17.965 1.563
30 H THR 8 H THR 8 -11.769 -15.364 0.443
31 HA THR 8 HA THR 8 -9.761 -13.620 1.708
32 HB THR 8 HB THR 8 -9.736 -13.247 -0.724
33 HG1 THR 8 HG1 THR 8 -10.567 -10.898 -0.464
34 HG21 THR 8 3HG2 THR 8 -12.603 -12.357 -0.421
35 HG22 THR 8 1HG2 THR 8 -12.117 -13.907 -1.106
36 HG23 THR 8 2HG2 THR 8 -11.650 -12.405 -1.904
37 H GLY 9 H GLY 9 -10.511 -12.403 3.328
38 HA2 GLY 9 1HA GLY 9 -13.403 -12.414 3.819
39 HA3 GLY 9 2HA GLY 9 -12.158 -12.064 5.008
40 H GLU 10 H GLU 10 -11.409 -9.989 5.252
41 HA GLU 10 HA GLU 10 -12.975 -7.937 3.860
42 HB2 GLU 10 1HB GLU 10 -12.291 -6.445 5.696
43 HB3 GLU 10 2HB GLU 10 -13.118 -7.879 6.286
44 HG2 GLU 10 1HG GLU 10 -10.963 -8.883 6.859
45 HG3 GLU 10 2HG GLU 10 -10.142 -7.433 6.284
46 H ARG 11 H ARG 11 -9.688 -8.960 4.544
47 HA ARG 11 HA ARG 11 -7.690 -8.414 3.602
48 HB2 ARG 11 1HB ARG 11 -9.036 -8.743 1.493
49 HB3 ARG 11 2HB ARG 11 -9.290 -7.003 1.466
50 HG2 ARG 11 1HG ARG 11 -6.941 -6.603 1.209
51 HG3 ARG 11 2HG ARG 11 -6.584 -8.317 1.427
52 HD2 ARG 11 1HD ARG 11 -7.673 -8.873 -0.629
53 HD3 ARG 11 2HD ARG 11 -8.291 -7.232 -0.804
54 HE ARG 11 HE ARG 11 -5.412 -7.447 -0.708
55 HH11 ARG 11 1HH1 ARG 11 -8.255 -7.382 -2.716
56 HH12 ARG 11 2HH1 ARG 11 -7.398 -6.891 -4.139
57 HH21 ARG 11 1HH2 ARG 11 -4.272 -6.801 -2.576
58 HH22 ARG 11 2HH2 ARG 11 -5.132 -6.562 -4.059
59 H HIS 12 H HIS 12 -8.305 -6.859 5.668
60 HA HIS 12 HA HIS 12 -8.586 -4.140 5.392
61 HB2 HIS 12 1HB HIS 12 -6.909 -4.158 7.467
62 HB3 HIS 12 2HB HIS 12 -8.572 -4.721 7.604
63 HD1 HIS 12 HD1 HIS 12 -8.270 -6.496 9.355
64 HD2 HIS 12 HD2 HIS 12 -5.628 -6.918 6.177
65 HE1 HIS 12 HE1 HIS 12 -7.139 -8.713 9.712
66 H TYR 13 H TYR 13 -7.306 -2.438 4.865
67 HA TYR 13 HA TYR 13 -5.142 -2.808 3.141
68 HB2 TYR 13 1HB TYR 13 -6.052 -0.401 4.716
69 HB3 TYR 13 2HB TYR 13 -4.717 -0.336 3.571
70 HD1 TYR 13 HD2 TYR 13 -8.348 -0.964 3.891
71 HD2 TYR 13 HD1 TYR 13 -5.111 -0.199 1.238
72 HE1 TYR 13 HE2 TYR 13 -9.946 -0.589 2.059
73 HE2 TYR 13 HE1 TYR 13 -6.700 0.179 -0.601
74 HH TYR 13 HH TYR 13 -9.027 0.786 -0.927
75 H GLU 14 H GLU 14 -3.437 -3.973 3.869
76 HA GLU 14 HA GLU 14 -2.260 -3.428 6.459
77 HB2 GLU 14 1HB GLU 14 -1.907 -5.480 4.338
78 HB3 GLU 14 2HB GLU 14 -0.527 -5.154 5.377
79 HG2 GLU 14 1HG GLU 14 -2.302 -5.440 7.287
80 HG3 GLU 14 2HG GLU 14 -3.167 -6.344 6.046
81 H CYS 15 H CYS 15 -0.364 -2.394 6.855
82 HA CYS 15 HA CYS 15 0.599 -0.577 4.873
83 HB2 CYS 15 1HB CYS 15 0.521 -0.046 7.300
84 HB3 CYS 15 2HB CYS 15 1.786 -1.239 7.576
85 H SER 16 H SER 16 1.907 -1.134 3.272
86 HA SER 16 HA SER 16 3.556 -3.496 3.428
87 HB2 SER 16 1HB SER 16 2.808 -1.544 1.301
88 HB3 SER 16 2HB SER 16 4.292 -2.472 1.083
89 HG SER 16 HG SER 16 1.699 -3.270 0.868
90 H GLU 17 H GLU 17 4.299 -1.609 5.348
91 HA GLU 17 HA GLU 17 7.000 -0.928 4.408
92 HB2 GLU 17 1HB GLU 17 5.234 0.800 6.152
93 HB3 GLU 17 2HB GLU 17 6.926 1.122 5.799
94 HG2 GLU 17 1HG GLU 17 5.067 0.777 3.513
95 HG3 GLU 17 2HG GLU 17 4.972 2.267 4.449
96 H CYS 18 H CYS 18 4.899 -1.504 7.202
97 HA CYS 18 HA CYS 18 7.250 -2.532 8.653
98 HB2 CYS 18 1HB CYS 18 5.889 -1.994 10.738
99 HB3 CYS 18 2HB CYS 18 6.523 -0.616 9.843
100 H GLY 19 H GLY 19 3.703 -2.842 8.431
101 HA2 GLY 19 1HA GLY 19 3.081 -5.238 7.786
102 HA3 GLY 19 2HA GLY 19 3.993 -5.667 9.225
103 H LYS 20 H LYS 20 1.776 -2.946 8.757
104 HA LYS 20 HA LYS 20 0.229 -3.917 11.052
105 HB2 LYS 20 1HB LYS 20 1.262 -1.501 10.759
106 HB3 LYS 20 2HB LYS 20 -0.207 -1.225 9.832
107 HG2 LYS 20 1HG LYS 20 -1.556 -1.356 11.660
108 HG3 LYS 20 2HG LYS 20 -0.477 -2.460 12.516
109 HD2 LYS 20 1HD LYS 20 1.108 -0.572 12.836
110 HD3 LYS 20 2HD LYS 20 -0.083 0.504 12.102
111 HE2 LYS 20 1HE LYS 20 -0.548 0.796 14.332
112 HE3 LYS 20 2HE LYS 20 -1.668 -0.504 13.926
113 HZ1 LYS 20 3HZ LYS 20 -0.735 -1.466 15.713
114 HZ2 LYS 20 1HZ LYS 20 0.684 -0.548 15.624
115 HZ3 LYS 20 2HZ LYS 20 0.487 -1.900 14.626
116 H ALA 21 H ALA 21 -2.185 -3.082 10.875
117 HA ALA 21 HA ALA 21 -3.256 -3.550 8.195
118 HB1 ALA 21 3HB ALA 21 -3.412 -5.743 8.912
119 HB2 ALA 21 1HB ALA 21 -3.743 -5.283 10.582
120 HB3 ALA 21 2HB ALA 21 -4.992 -5.095 9.351
121 H PHE 22 H PHE 22 -5.064 -2.401 7.761
122 HA PHE 22 HA PHE 22 -6.460 -1.103 9.996
123 HB2 PHE 22 1HB PHE 22 -5.644 0.300 7.443
124 HB3 PHE 22 2HB PHE 22 -6.527 1.013 8.789
125 HD1 PHE 22 HD1 PHE 22 -5.401 1.543 10.876
126 HD2 PHE 22 HD2 PHE 22 -3.274 -0.078 7.565
127 HE1 PHE 22 HE1 PHE 22 -3.274 2.207 11.921
128 HE2 PHE 22 HE2 PHE 22 -1.144 0.582 8.605
129 HZ PHE 22 HZ PHE 22 -1.142 1.726 10.786
130 H ILE 23 H ILE 23 -8.646 -0.671 9.663
131 HA ILE 23 HA ILE 23 -9.971 -2.428 7.851
132 HB ILE 23 HB ILE 23 -10.958 -1.930 10.017
133 HG12 ILE 23 1HG1 ILE 23 -13.249 -1.026 9.087
134 HG13 ILE 23 2HG1 ILE 23 -12.448 -1.188 7.528
135 HG21 ILE 23 1HG2 ILE 23 -10.187 0.664 9.526
136 HG22 ILE 23 2HG2 ILE 23 -11.942 0.733 9.376
137 HG23 ILE 23 3HG2 ILE 23 -11.207 0.124 10.859
138 HD11 ILE 23 3HD1 ILE 23 -13.138 -3.320 9.511
139 HD12 ILE 23 1HD1 ILE 23 -13.601 -3.189 7.815
140 HD13 ILE 23 2HD1 ILE 23 -11.937 -3.582 8.247
141 H GLN 24 H GLN 24 -9.268 1.011 7.893
142 HA GLN 24 HA GLN 24 -10.519 1.245 5.236
143 HB2 GLN 24 1HB GLN 24 -10.409 3.114 7.556
144 HB3 GLN 24 2HB GLN 24 -10.391 3.802 5.938
145 HG2 GLN 24 1HG GLN 24 -12.461 1.774 6.604
146 HG3 GLN 24 2HG GLN 24 -12.637 3.412 7.231
147 HE21 GLN 24 1HE2 GLN 24 -13.288 5.007 5.900
148 HE22 GLN 24 2HE2 GLN 24 -13.657 4.792 4.226
149 H LYS 25 H LYS 25 -9.437 2.480 3.649
150 HA LYS 25 HA LYS 25 -6.634 2.144 3.603
151 HB2 LYS 25 1HB LYS 25 -7.857 2.137 1.537
152 HB3 LYS 25 2HB LYS 25 -8.494 3.747 1.845
153 HG2 LYS 25 1HG LYS 25 -6.786 3.958 0.217
154 HG3 LYS 25 2HG LYS 25 -6.148 4.606 1.730
155 HD2 LYS 25 1HD LYS 25 -5.025 2.435 2.133
156 HD3 LYS 25 2HD LYS 25 -5.591 1.882 0.556
157 HE2 LYS 25 1HE LYS 25 -3.985 4.399 0.853
158 HE3 LYS 25 2HE LYS 25 -3.206 2.822 0.733
159 HZ1 LYS 25 3HZ LYS 25 -4.776 2.626 -1.340
160 HZ2 LYS 25 1HZ LYS 25 -3.281 3.410 -1.450
161 HZ3 LYS 25 2HZ LYS 25 -4.701 4.316 -1.293
162 H SER 26 H SER 26 -8.559 5.150 3.644
163 HA SER 26 HA SER 26 -6.605 7.019 3.864
164 HB2 SER 26 1HB SER 26 -9.294 6.887 5.224
165 HB3 SER 26 2HB SER 26 -8.248 8.300 5.360
166 HG SER 26 HG SER 26 -8.438 8.658 3.204
167 H THR 27 H THR 27 -8.020 5.226 6.591
168 HA THR 27 HA THR 27 -6.622 6.339 8.680
169 HB THR 27 HB THR 27 -7.409 3.442 8.323
170 HG1 THR 27 HG1 THR 27 -9.257 4.589 8.410
171 HG21 THR 27 3HG2 THR 27 -5.615 3.966 10.081
172 HG22 THR 27 1HG2 THR 27 -7.047 3.087 10.614
173 HG23 THR 27 2HG2 THR 27 -6.896 4.812 10.948
174 H LEU 28 H LEU 28 -5.597 3.664 6.580
175 HA LEU 28 HA LEU 28 -3.162 3.117 7.851
176 HB2 LEU 28 1HB LEU 28 -3.711 1.472 6.376
177 HB3 LEU 28 2HB LEU 28 -4.326 2.605 5.174
178 HG LEU 28 HG LEU 28 -1.938 3.198 4.659
179 HD11 LEU 28 1HD1 LEU 28 -1.095 2.277 6.861
180 HD12 LEU 28 2HD1 LEU 28 -0.165 1.850 5.425
181 HD13 LEU 28 3HD1 LEU 28 -1.265 0.674 6.145
182 HD21 LEU 28 3HD2 LEU 28 -3.405 1.538 3.402
183 HD22 LEU 28 1HD2 LEU 28 -2.494 0.277 4.233
184 HD23 LEU 28 2HD2 LEU 28 -1.661 1.407 3.165
185 H SER 29 H SER 29 -3.869 5.219 5.069
186 HA SER 29 HA SER 29 -1.336 6.079 4.448
187 HB2 SER 29 1HB SER 29 -3.344 6.702 3.163
188 HB3 SER 29 2HB SER 29 -3.852 7.767 4.474
189 HG SER 29 HG SER 29 -2.766 8.931 2.852
190 H MET 30 H MET 30 -3.490 7.334 6.966
191 HA MET 30 HA MET 30 -1.897 9.478 7.802
192 HB2 MET 30 1HB MET 30 -3.712 7.802 9.541
193 HB3 MET 30 2HB MET 30 -3.200 9.457 9.842
194 HG2 MET 30 1HG MET 30 -4.966 8.513 7.596
195 HG3 MET 30 2HG MET 30 -5.473 9.403 9.030
196 HE1 MET 30 3HE MET 30 -6.223 12.277 7.371
197 HE2 MET 30 1HE MET 30 -6.271 11.252 8.806
198 HE3 MET 30 2HE MET 30 -5.180 12.637 8.747
199 H HIS 31 H HIS 31 -1.740 6.060 8.520
200 HA HIS 31 HA HIS 31 0.156 6.375 10.669
201 HB2 HIS 31 1HB HIS 31 -1.024 4.442 11.026
202 HB3 HIS 31 2HB HIS 31 -1.184 4.094 9.307
203 HD1 HIS 31 HD1 HIS 31 0.672 3.113 12.260
204 HD2 HIS 31 HD2 HIS 31 1.318 3.049 8.157
205 HE1 HIS 31 HE1 HIS 31 2.555 1.486 11.902
206 H GLN 32 H GLN 32 0.282 5.122 7.339
207 HA GLN 32 HA GLN 32 2.849 4.347 7.071
208 HB2 GLN 32 1HB GLN 32 1.195 5.998 5.165
209 HB3 GLN 32 2HB GLN 32 2.764 5.333 4.728
210 HG2 GLN 32 1HG GLN 32 1.891 3.071 5.240
211 HG3 GLN 32 2HG GLN 32 0.306 3.790 5.519
212 HE21 GLN 32 1HE2 GLN 32 2.372 2.442 3.255
213 HE22 GLN 32 2HE2 GLN 32 1.506 2.872 1.824
214 H ARG 33 H ARG 33 1.762 7.575 7.677
215 HA ARG 33 HA ARG 33 3.857 9.128 6.786
216 HB2 ARG 33 1HB ARG 33 3.146 10.784 8.294
217 HB3 ARG 33 2HB ARG 33 1.697 9.848 7.955
218 HG2 ARG 33 1HG ARG 33 1.892 8.689 10.053
219 HG3 ARG 33 2HG ARG 33 3.439 9.472 10.379
220 HD2 ARG 33 1HD ARG 33 0.883 11.004 9.968
221 HD3 ARG 33 2HD ARG 33 1.418 10.445 11.552
222 HE ARG 33 HE ARG 33 2.558 12.597 9.980
223 HH11 ARG 33 1HH1 ARG 33 2.920 10.428 12.680
224 HH12 ARG 33 2HH1 ARG 33 4.093 11.417 13.485
225 HH21 ARG 33 1HH2 ARG 33 4.102 13.908 11.030
226 HH22 ARG 33 2HH2 ARG 33 4.764 13.397 12.546
227 H ILE 34 H ILE 34 3.616 7.318 9.826
228 HA ILE 34 HA ILE 34 5.852 8.124 11.158
229 HB ILE 34 HB ILE 34 5.973 5.944 12.196
230 HG12 ILE 34 1HG1 ILE 34 3.899 4.834 10.349
231 HG13 ILE 34 2HG1 ILE 34 5.583 4.825 9.835
232 HG21 ILE 34 1HG2 ILE 34 4.221 6.897 13.242
233 HG22 ILE 34 2HG2 ILE 34 3.392 7.278 11.734
234 HG23 ILE 34 3HG2 ILE 34 3.298 5.650 12.405
235 HD11 ILE 34 3HD1 ILE 34 6.044 3.080 11.117
236 HD12 ILE 34 1HD1 ILE 34 5.289 3.822 12.527
237 HD13 ILE 34 2HD1 ILE 34 4.307 2.918 11.373
238 H HIS 35 H HIS 35 5.728 6.455 8.158
239 HA HIS 35 HA HIS 35 8.501 5.584 8.301
240 HB2 HIS 35 1HB HIS 35 6.478 5.367 6.061
241 HB3 HIS 35 2HB HIS 35 8.086 4.648 6.053
242 HD1 HIS 35 HD1 HIS 35 8.377 2.436 7.238
243 HD2 HIS 35 HD2 HIS 35 4.654 4.154 7.908
244 HE1 HIS 35 HE1 HIS 35 7.018 0.665 8.395
245 H ARG 36 H ARG 36 6.513 7.921 6.539
246 HA ARG 36 HA ARG 36 8.980 9.146 5.500
247 HB2 ARG 36 1HB ARG 36 7.415 10.258 3.847
248 HB3 ARG 36 2HB ARG 36 7.611 8.520 3.668
249 HG2 ARG 36 1HG ARG 36 5.368 9.461 5.354
250 HG3 ARG 36 2HG ARG 36 5.240 9.710 3.612
251 HD2 ARG 36 1HD ARG 36 5.792 7.276 3.326
252 HD3 ARG 36 2HD ARG 36 5.637 7.107 5.074
253 HE ARG 36 HE ARG 36 3.348 7.284 4.869
254 HH11 ARG 36 1HH1 ARG 36 4.882 8.067 1.843
255 HH12 ARG 36 2HH1 ARG 36 3.403 8.052 0.940
256 HH21 ARG 36 1HH2 ARG 36 1.395 7.262 3.691
257 HH22 ARG 36 2HH2 ARG 36 1.420 7.595 1.993
258 H GLY 37 H GLY 37 9.467 10.440 7.267
259 HA2 GLY 37 1HA GLY 37 7.566 12.082 8.593
260 HA3 GLY 37 2HA GLY 37 9.314 12.238 8.692
261 H GLU 38 H GLU 38 10.344 13.789 7.517
262 HA GLU 38 HA GLU 38 9.270 16.141 6.878
263 HB2 GLU 38 1HB GLU 38 11.421 14.732 5.292
264 HB3 GLU 38 2HB GLU 38 11.056 16.446 5.155
265 HG2 GLU 38 1HG GLU 38 11.601 16.725 7.540
266 HG3 GLU 38 2HG GLU 38 12.039 15.019 7.616
267 H LYS 39 H LYS 39 8.321 17.189 5.128
268 HA LYS 39 HA LYS 39 6.683 17.325 3.531
269 HB2 LYS 39 1HB LYS 39 8.917 15.750 2.308
270 HB3 LYS 39 2HB LYS 39 7.449 16.029 1.381
271 HG2 LYS 39 1HG LYS 39 7.744 18.396 1.494
272 HG3 LYS 39 2HG LYS 39 9.084 18.225 2.630
273 HD2 LYS 39 1HD LYS 39 10.335 16.988 0.865
274 HD3 LYS 39 2HD LYS 39 9.024 17.355 -0.259
275 HE2 LYS 39 1HE LYS 39 9.416 19.797 0.316
276 HE3 LYS 39 2HE LYS 39 10.903 19.270 1.104
277 HZ1 LYS 39 3HZ LYS 39 10.927 20.020 -1.369
278 HZ2 LYS 39 1HZ LYS 39 10.383 18.446 -1.667
279 HZ3 LYS 39 2HZ LYS 39 11.860 18.696 -0.881
280 HA PRO 40 HA PRO 40 5.018 13.025 4.563
281 HB2 PRO 40 1HB PRO 40 3.115 13.835 6.322
282 HB3 PRO 40 2HB PRO 40 4.763 13.422 6.812
283 HG2 PRO 40 1HG PRO 40 3.548 16.116 6.332
284 HG3 PRO 40 2HG PRO 40 4.625 15.591 7.639
285 HD2 PRO 40 1HD PRO 40 5.510 16.987 5.493
286 HD3 PRO 40 2HD PRO 40 6.513 15.785 6.330
287 H SER 41 H SER 41 3.790 16.102 3.586
288 HA SER 41 HA SER 41 1.743 14.772 1.985
289 HB2 SER 41 1HB SER 41 1.112 17.172 3.718
290 HB3 SER 41 2HB SER 41 -0.005 16.327 2.646
291 HG SER 41 HG SER 41 -0.387 15.032 4.241
292 H GLY 42 H GLY 42 2.415 15.294 -0.001
293 HA2 GLY 42 1HA GLY 42 3.083 18.127 -0.518
294 HA3 GLY 42 2HA GLY 42 3.873 16.788 -1.336
295 HA PRO 43 HA PRO 43 0.969 17.063 -4.605
296 HB2 PRO 43 1HB PRO 43 0.829 14.475 -5.411
297 HB3 PRO 43 2HB PRO 43 2.238 15.498 -5.709
298 HG2 PRO 43 1HG PRO 43 1.805 13.447 -3.572
299 HG3 PRO 43 2HG PRO 43 3.246 13.745 -4.561
300 HD2 PRO 43 1HD PRO 43 3.017 14.636 -2.014
301 HD3 PRO 43 2HD PRO 43 3.929 15.518 -3.256
302 H SER 44 H SER 44 -1.186 16.656 -5.190
303 HA SER 44 HA SER 44 -3.404 16.435 -4.690
304 HB2 SER 44 1HB SER 44 -2.207 13.757 -4.067
305 HB3 SER 44 2HB SER 44 -3.921 14.038 -3.762
306 HG SER 44 HG SER 44 -4.049 13.493 -5.805
307 H SER 45 H SER 45 -2.047 17.853 -2.732
308 HA SER 45 HA SER 45 -2.208 17.057 -0.116
309 HB2 SER 45 1HB SER 45 -1.395 19.298 -1.097
310 HB3 SER 45 2HB SER 45 -3.071 19.824 -0.943
311 HG SER 45 HG SER 45 -2.759 18.976 1.341
312 H GLY 46 H GLY 46 -3.766 17.201 1.531
313 HA2 GLY 46 1HA GLY 46 -6.080 17.953 2.096
314 HA3 GLY 46 2HA GLY 46 -6.551 17.282 0.541
Start of MODEL 20
1 H1 GLY 1 H GLY 1 -0.575 -29.313 -13.869
2 HA2 GLY 1 1HA GLY 1 -2.724 -30.643 -12.350
3 HA3 GLY 1 2HA GLY 1 -1.122 -30.283 -11.723
4 H SER 2 H SER 2 -4.032 -29.537 -11.010
5 HA SER 2 HA SER 2 -3.604 -26.628 -10.835
6 HB2 SER 2 1HB SER 2 -6.039 -26.411 -10.598
7 HB3 SER 2 2HB SER 2 -5.629 -27.260 -12.088
8 HG SER 2 HG SER 2 -7.351 -28.151 -10.612
9 H SER 3 H SER 3 -2.445 -26.529 -8.945
10 HA SER 3 HA SER 3 -3.720 -27.653 -6.541
11 HB2 SER 3 1HB SER 3 -0.849 -26.997 -7.181
12 HB3 SER 3 2HB SER 3 -1.397 -27.224 -5.520
13 HG SER 3 HG SER 3 -2.213 -29.196 -7.247
14 H GLY 4 H GLY 4 -3.619 -26.363 -4.571
15 HA2 GLY 4 1HA GLY 4 -4.209 -23.572 -5.159
16 HA3 GLY 4 2HA GLY 4 -4.511 -24.404 -3.641
17 H SER 5 H SER 5 -1.884 -23.153 -5.675
18 HA SER 5 HA SER 5 -0.337 -22.664 -3.214
19 HB2 SER 5 1HB SER 5 0.632 -24.257 -4.954
20 HB3 SER 5 2HB SER 5 0.818 -22.848 -5.998
21 HG SER 5 HG SER 5 2.011 -23.295 -3.465
22 H SER 6 H SER 6 -1.390 -20.655 -2.863
23 HA SER 6 HA SER 6 -0.126 -18.465 -4.244
24 HB2 SER 6 1HB SER 6 -2.291 -17.342 -4.810
25 HB3 SER 6 2HB SER 6 -1.982 -18.796 -5.758
26 HG SER 6 HG SER 6 -4.038 -19.022 -5.076
27 H GLY 7 H GLY 7 -0.457 -16.417 -3.180
28 HA2 GLY 7 1HA GLY 7 -0.835 -16.763 -0.325
29 HA3 GLY 7 2HA GLY 7 -0.247 -15.318 -1.134
30 H THR 8 H THR 8 -2.935 -16.882 0.264
31 HA THR 8 HA THR 8 -4.707 -14.703 -0.632
32 HB THR 8 HB THR 8 -6.605 -16.220 -0.083
33 HG1 THR 8 HG1 THR 8 -5.429 -18.569 -0.188
34 HG21 THR 8 3HG2 THR 8 -6.381 -17.645 -2.057
35 HG22 THR 8 1HG2 THR 8 -4.647 -17.327 -2.100
36 HG23 THR 8 2HG2 THR 8 -5.791 -16.016 -2.389
37 H GLY 9 H GLY 9 -6.157 -13.795 0.908
38 HA2 GLY 9 1HA GLY 9 -6.976 -13.840 3.240
39 HA3 GLY 9 2HA GLY 9 -5.330 -14.238 3.711
40 H GLU 10 H GLU 10 -6.491 -11.801 1.408
41 HA GLU 10 HA GLU 10 -5.393 -9.721 3.179
42 HB2 GLU 10 1HB GLU 10 -4.880 -10.209 0.274
43 HB3 GLU 10 2HB GLU 10 -4.882 -8.556 0.873
44 HG2 GLU 10 1HG GLU 10 -3.248 -9.514 2.668
45 HG3 GLU 10 2HG GLU 10 -3.006 -10.788 1.475
46 H ARG 11 H ARG 11 -7.572 -9.389 3.888
47 HA ARG 11 HA ARG 11 -9.295 -8.083 1.887
48 HB2 ARG 11 1HB ARG 11 -10.045 -9.422 4.493
49 HB3 ARG 11 2HB ARG 11 -11.170 -8.583 3.434
50 HG2 ARG 11 1HG ARG 11 -10.626 -10.197 1.642
51 HG3 ARG 11 2HG ARG 11 -9.601 -11.068 2.785
52 HD2 ARG 11 1HD ARG 11 -11.704 -12.181 2.728
53 HD3 ARG 11 2HD ARG 11 -11.611 -11.313 4.260
54 HE ARG 11 HE ARG 11 -12.896 -9.550 2.708
55 HH11 ARG 11 1HH1 ARG 11 -13.387 -12.955 3.241
56 HH12 ARG 11 2HH1 ARG 11 -15.096 -12.885 2.966
57 HH21 ARG 11 1HH2 ARG 11 -15.145 -9.445 2.343
58 HH22 ARG 11 2HH2 ARG 11 -16.095 -10.888 2.454
59 H HIS 12 H HIS 12 -7.240 -6.593 2.932
60 HA HIS 12 HA HIS 12 -8.595 -4.353 3.969
61 HB2 HIS 12 1HB HIS 12 -7.239 -4.328 6.181
62 HB3 HIS 12 2HB HIS 12 -8.708 -5.297 6.100
63 HD1 HIS 12 HD1 HIS 12 -8.169 -7.180 7.646
64 HD2 HIS 12 HD2 HIS 12 -5.128 -6.468 4.906
65 HE1 HIS 12 HE1 HIS 12 -6.523 -9.054 7.966
66 H TYR 13 H TYR 13 -7.044 -2.580 4.580
67 HA TYR 13 HA TYR 13 -4.828 -2.628 2.710
68 HB2 TYR 13 1HB TYR 13 -5.703 -0.348 4.486
69 HB3 TYR 13 2HB TYR 13 -4.703 -0.253 3.041
70 HD1 TYR 13 HD2 TYR 13 -8.130 -1.032 4.233
71 HD2 TYR 13 HD1 TYR 13 -5.680 0.021 0.918
72 HE1 TYR 13 HE2 TYR 13 -10.144 -0.649 2.874
73 HE2 TYR 13 HE1 TYR 13 -7.686 0.408 -0.450
74 HH TYR 13 HH TYR 13 -9.902 0.416 -0.509
75 H GLU 14 H GLU 14 -3.272 -3.931 3.641
76 HA GLU 14 HA GLU 14 -2.318 -3.284 6.320
77 HB2 GLU 14 1HB GLU 14 -1.930 -5.564 4.430
78 HB3 GLU 14 2HB GLU 14 -0.699 -5.264 5.649
79 HG2 GLU 14 1HG GLU 14 -2.510 -5.353 7.373
80 HG3 GLU 14 2HG GLU 14 -3.605 -5.883 6.098
81 H CYS 15 H CYS 15 -0.409 -2.321 6.764
82 HA CYS 15 HA CYS 15 0.863 -0.785 4.762
83 HB2 CYS 15 1HB CYS 15 0.774 -0.138 7.152
84 HB3 CYS 15 2HB CYS 15 1.867 -1.464 7.534
85 H SER 16 H SER 16 3.077 -0.890 4.067
86 HA SER 16 HA SER 16 3.998 -3.662 3.778
87 HB2 SER 16 1HB SER 16 4.599 -1.183 2.150
88 HB3 SER 16 2HB SER 16 5.350 -2.754 1.872
89 HG SER 16 HG SER 16 2.874 -3.339 1.897
90 H GLU 17 H GLU 17 4.927 -0.512 4.949
91 HA GLU 17 HA GLU 17 7.694 -0.949 5.223
92 HB2 GLU 17 1HB GLU 17 5.743 0.898 6.566
93 HB3 GLU 17 2HB GLU 17 7.421 0.833 7.088
94 HG2 GLU 17 1HG GLU 17 6.677 1.303 4.224
95 HG3 GLU 17 2HG GLU 17 6.769 2.619 5.393
96 H CYS 18 H CYS 18 5.242 -0.937 7.817
97 HA CYS 18 HA CYS 18 6.999 -2.600 9.447
98 HB2 CYS 18 1HB CYS 18 5.387 -2.131 11.261
99 HB3 CYS 18 2HB CYS 18 6.006 -0.656 10.525
100 H GLY 19 H GLY 19 3.686 -2.634 8.160
101 HA2 GLY 19 1HA GLY 19 2.850 -4.704 7.194
102 HA3 GLY 19 2HA GLY 19 3.728 -5.572 8.445
103 H LYS 20 H LYS 20 1.802 -2.684 8.989
104 HA LYS 20 HA LYS 20 0.257 -4.070 10.993
105 HB2 LYS 20 1HB LYS 20 1.120 -1.653 11.111
106 HB3 LYS 20 2HB LYS 20 -0.215 -1.253 10.039
107 HG2 LYS 20 1HG LYS 20 -1.810 -1.677 11.641
108 HG3 LYS 20 2HG LYS 20 -0.755 -2.757 12.557
109 HD2 LYS 20 1HD LYS 20 0.505 -0.932 13.414
110 HD3 LYS 20 2HD LYS 20 -0.259 0.203 12.300
111 HE2 LYS 20 1HE LYS 20 -1.283 0.555 14.400
112 HE3 LYS 20 2HE LYS 20 -2.447 -0.353 13.435
113 HZ1 LYS 20 3HZ LYS 20 -1.754 -1.021 15.912
114 HZ2 LYS 20 1HZ LYS 20 -0.626 -1.940 15.047
115 HZ3 LYS 20 2HZ LYS 20 -2.281 -2.145 14.762
116 H ALA 21 H ALA 21 -2.187 -3.554 11.040
117 HA ALA 21 HA ALA 21 -3.339 -3.817 8.347
118 HB1 ALA 21 3HB ALA 21 -3.327 -6.046 9.097
119 HB2 ALA 21 1HB ALA 21 -3.834 -5.588 10.723
120 HB3 ALA 21 2HB ALA 21 -4.971 -5.472 9.380
121 H PHE 22 H PHE 22 -4.939 -2.429 7.988
122 HA PHE 22 HA PHE 22 -6.335 -1.274 10.313
123 HB2 PHE 22 1HB PHE 22 -5.838 0.127 7.683
124 HB3 PHE 22 2HB PHE 22 -6.480 0.830 9.164
125 HD1 PHE 22 HD2 PHE 22 -3.465 -0.449 7.504
126 HD2 PHE 22 HD1 PHE 22 -5.039 1.502 10.944
127 HE1 PHE 22 HE2 PHE 22 -1.187 0.181 8.186
128 HE2 PHE 22 HE1 PHE 22 -2.763 2.136 11.631
129 HZ PHE 22 HZ PHE 22 -0.833 1.474 10.252
130 H ILE 23 H ILE 23 -8.435 -0.090 9.408
131 HA ILE 23 HA ILE 23 -9.922 -2.174 7.972
132 HB ILE 23 HB ILE 23 -10.932 -1.738 10.067
133 HG12 ILE 23 1HG1 ILE 23 -12.524 -0.041 8.145
134 HG13 ILE 23 2HG1 ILE 23 -12.423 -1.792 8.004
135 HG21 ILE 23 1HG2 ILE 23 -11.600 0.547 10.770
136 HG22 ILE 23 2HG2 ILE 23 -9.855 0.330 10.644
137 HG23 ILE 23 3HG2 ILE 23 -10.730 1.189 9.377
138 HD11 ILE 23 3HD1 ILE 23 -14.246 -1.793 9.283
139 HD12 ILE 23 1HD1 ILE 23 -13.133 -1.479 10.614
140 HD13 ILE 23 2HD1 ILE 23 -13.977 -0.140 9.835
141 H GLN 24 H GLN 24 -9.292 1.300 8.004
142 HA GLN 24 HA GLN 24 -10.590 1.504 5.369
143 HB2 GLN 24 1HB GLN 24 -10.159 3.557 7.534
144 HB3 GLN 24 2HB GLN 24 -10.613 3.997 5.893
145 HG2 GLN 24 1HG GLN 24 -12.570 2.358 6.232
146 HG3 GLN 24 2HG GLN 24 -12.190 2.505 7.947
147 HE21 GLN 24 1HE2 GLN 24 -14.369 3.378 8.067
148 HE22 GLN 24 2HE2 GLN 24 -14.622 5.055 7.738
149 H LYS 25 H LYS 25 -9.552 2.674 3.715
150 HA LYS 25 HA LYS 25 -6.788 2.265 3.495
151 HB2 LYS 25 1HB LYS 25 -8.231 2.438 1.540
152 HB3 LYS 25 2HB LYS 25 -8.594 4.114 1.927
153 HG2 LYS 25 1HG LYS 25 -7.003 4.414 0.330
154 HG3 LYS 25 2HG LYS 25 -5.979 4.367 1.767
155 HD2 LYS 25 1HD LYS 25 -5.500 2.015 1.372
156 HD3 LYS 25 2HD LYS 25 -6.574 2.015 -0.029
157 HE2 LYS 25 1HE LYS 25 -4.249 3.901 0.153
158 HE3 LYS 25 2HE LYS 25 -4.039 2.247 -0.420
159 HZ1 LYS 25 3HZ LYS 25 -5.942 2.824 -2.011
160 HZ2 LYS 25 1HZ LYS 25 -4.408 3.456 -2.344
161 HZ3 LYS 25 2HZ LYS 25 -5.593 4.437 -1.641
162 H SER 26 H SER 26 -8.647 5.190 4.238
163 HA SER 26 HA SER 26 -6.544 7.019 4.277
164 HB2 SER 26 1HB SER 26 -8.851 7.764 4.362
165 HB3 SER 26 2HB SER 26 -9.087 6.972 5.920
166 HG SER 26 HG SER 26 -7.289 8.419 6.622
167 H THR 27 H THR 27 -7.868 5.047 6.919
168 HA THR 27 HA THR 27 -6.342 5.965 9.021
169 HB THR 27 HB THR 27 -7.211 3.119 8.485
170 HG1 THR 27 HG1 THR 27 -8.903 4.703 8.655
171 HG21 THR 27 3HG2 THR 27 -5.343 3.559 10.228
172 HG22 THR 27 1HG2 THR 27 -6.727 2.572 10.695
173 HG23 THR 27 2HG2 THR 27 -6.639 4.260 11.197
174 H LEU 28 H LEU 28 -5.428 3.778 6.433
175 HA LEU 28 HA LEU 28 -2.937 3.005 7.615
176 HB2 LEU 28 1HB LEU 28 -3.697 1.431 6.121
177 HB3 LEU 28 2HB LEU 28 -4.255 2.642 4.968
178 HG LEU 28 HG LEU 28 -1.821 3.103 4.465
179 HD11 LEU 28 1HD1 LEU 28 -0.985 2.023 6.559
180 HD12 LEU 28 2HD1 LEU 28 -0.177 1.495 5.084
181 HD13 LEU 28 3HD1 LEU 28 -1.387 0.462 5.844
182 HD21 LEU 28 3HD2 LEU 28 -3.168 1.861 2.916
183 HD22 LEU 28 1HD2 LEU 28 -2.998 0.391 3.876
184 HD23 LEU 28 2HD2 LEU 28 -1.596 1.070 3.049
185 H SER 29 H SER 29 -3.876 5.242 5.018
186 HA SER 29 HA SER 29 -1.335 6.117 4.298
187 HB2 SER 29 1HB SER 29 -3.711 6.637 3.293
188 HB3 SER 29 2HB SER 29 -3.622 8.052 4.342
189 HG SER 29 HG SER 29 -2.766 8.552 2.321
190 H MET 30 H MET 30 -3.515 7.325 6.815
191 HA MET 30 HA MET 30 -1.888 9.495 7.614
192 HB2 MET 30 1HB MET 30 -3.325 9.680 9.515
193 HB3 MET 30 2HB MET 30 -4.324 9.217 8.145
194 HG2 MET 30 1HG MET 30 -4.670 7.081 8.945
195 HG3 MET 30 2HG MET 30 -3.236 7.123 9.969
196 HE1 MET 30 3HE MET 30 -4.631 7.714 13.294
197 HE2 MET 30 1HE MET 30 -4.409 6.292 12.274
198 HE3 MET 30 2HE MET 30 -3.188 7.565 12.289
199 H HIS 31 H HIS 31 -1.587 6.140 8.065
200 HA HIS 31 HA HIS 31 0.038 6.390 10.473
201 HB2 HIS 31 1HB HIS 31 -1.170 4.458 10.714
202 HB3 HIS 31 2HB HIS 31 -1.215 4.142 8.982
203 HD1 HIS 31 HD1 HIS 31 0.877 3.580 12.031
204 HD2 HIS 31 HD2 HIS 31 0.906 2.614 7.990
205 HE1 HIS 31 HE1 HIS 31 2.659 1.825 11.772
206 H GLN 32 H GLN 32 0.446 4.873 7.266
207 HA GLN 32 HA GLN 32 3.063 4.273 7.236
208 HB2 GLN 32 1HB GLN 32 1.299 5.432 5.118
209 HB3 GLN 32 2HB GLN 32 3.009 5.206 4.776
210 HG2 GLN 32 1HG GLN 32 2.588 2.793 5.645
211 HG3 GLN 32 2HG GLN 32 0.899 3.167 5.305
212 HE21 GLN 32 1HE2 GLN 32 0.685 4.325 3.067
213 HE22 GLN 32 2HE2 GLN 32 1.483 3.517 1.766
214 H ARG 33 H ARG 33 1.737 7.475 7.358
215 HA ARG 33 HA ARG 33 3.778 9.064 6.443
216 HB2 ARG 33 1HB ARG 33 2.951 10.800 7.888
217 HB3 ARG 33 2HB ARG 33 1.580 9.863 7.309
218 HG2 ARG 33 1HG ARG 33 1.566 8.629 9.448
219 HG3 ARG 33 2HG ARG 33 2.869 9.671 10.022
220 HD2 ARG 33 1HD ARG 33 0.516 10.307 10.720
221 HD3 ARG 33 2HD ARG 33 1.493 11.581 9.991
222 HE ARG 33 HE ARG 33 -0.123 10.192 8.081
223 HH11 ARG 33 1HH1 ARG 33 -0.108 12.723 10.471
224 HH12 ARG 33 2HH1 ARG 33 -1.420 13.593 9.747
225 HH21 ARG 33 1HH2 ARG 33 -1.850 11.329 7.118
226 HH22 ARG 33 2HH2 ARG 33 -2.410 12.799 7.840
227 H ILE 34 H ILE 34 3.473 7.607 9.666
228 HA ILE 34 HA ILE 34 5.649 8.709 10.931
229 HB ILE 34 HB ILE 34 5.712 6.793 12.372
230 HG12 ILE 34 1HG1 ILE 34 3.933 5.329 10.419
231 HG13 ILE 34 2HG1 ILE 34 5.681 5.130 10.456
232 HG21 ILE 34 1HG2 ILE 34 3.020 6.425 12.415
233 HG22 ILE 34 2HG2 ILE 34 3.856 7.807 13.121
234 HG23 ILE 34 3HG2 ILE 34 3.152 7.932 11.509
235 HD11 ILE 34 3HD1 ILE 34 4.260 3.417 11.689
236 HD12 ILE 34 1HD1 ILE 34 5.633 4.110 12.552
237 HD13 ILE 34 2HD1 ILE 34 3.998 4.680 12.891
238 H HIS 35 H HIS 35 5.592 6.268 8.439
239 HA HIS 35 HA HIS 35 8.321 5.459 8.778
240 HB2 HIS 35 1HB HIS 35 6.350 5.042 6.526
241 HB3 HIS 35 2HB HIS 35 7.971 4.353 6.545
242 HD1 HIS 35 HD1 HIS 35 8.263 3.152 9.227
243 HD2 HIS 35 HD2 HIS 35 4.650 3.057 7.178
244 HE1 HIS 35 HE1 HIS 35 6.977 1.233 10.221
245 H ARG 36 H ARG 36 6.622 7.858 6.884
246 HA ARG 36 HA ARG 36 8.976 8.501 5.313
247 HB2 ARG 36 1HB ARG 36 6.148 9.511 5.378
248 HB3 ARG 36 2HB ARG 36 7.397 10.397 4.515
249 HG2 ARG 36 1HG ARG 36 7.796 8.557 3.052
250 HG3 ARG 36 2HG ARG 36 6.754 7.503 4.010
251 HD2 ARG 36 1HD ARG 36 4.820 8.856 3.431
252 HD3 ARG 36 2HD ARG 36 5.847 9.968 2.528
253 HE ARG 36 HE ARG 36 4.914 7.375 1.675
254 HH11 ARG 36 1HH1 ARG 36 7.264 9.901 1.213
255 HH12 ARG 36 2HH1 ARG 36 7.624 9.446 -0.420
256 HH21 ARG 36 1HH2 ARG 36 5.379 6.766 -0.473
257 HH22 ARG 36 2HH2 ARG 36 6.551 7.663 -1.378
258 H GLY 37 H GLY 37 9.426 8.789 8.048
259 HA2 GLY 37 1HA GLY 37 9.905 10.343 9.716
260 HA3 GLY 37 2HA GLY 37 10.802 11.050 8.380
261 H GLU 38 H GLU 38 7.316 10.852 9.082
262 HA GLU 38 HA GLU 38 6.740 13.419 8.118
263 HB2 GLU 38 1HB GLU 38 5.138 11.467 8.592
264 HB3 GLU 38 2HB GLU 38 5.128 12.040 10.254
265 HG2 GLU 38 1HG GLU 38 3.240 12.995 9.266
266 HG3 GLU 38 2HG GLU 38 4.432 14.292 9.320
267 H LYS 39 H LYS 39 6.670 12.374 11.530
268 HA LYS 39 HA LYS 39 7.220 15.147 12.316
269 HB2 LYS 39 1HB LYS 39 5.925 12.818 13.686
270 HB3 LYS 39 2HB LYS 39 6.618 14.117 14.648
271 HG2 LYS 39 1HG LYS 39 4.447 14.814 14.458
272 HG3 LYS 39 2HG LYS 39 5.186 15.645 13.087
273 HD2 LYS 39 1HD LYS 39 3.197 14.699 12.251
274 HD3 LYS 39 2HD LYS 39 4.492 13.638 11.690
275 HE2 LYS 39 1HE LYS 39 3.993 12.017 13.357
276 HE3 LYS 39 2HE LYS 39 2.906 13.121 14.197
277 HZ1 LYS 39 3HZ LYS 39 2.319 11.321 12.112
278 HZ2 LYS 39 1HZ LYS 39 1.983 12.894 11.587
279 HZ3 LYS 39 2HZ LYS 39 1.258 12.300 12.994
280 HA PRO 40 HA PRO 40 11.289 14.268 13.709
281 HB2 PRO 40 1HB PRO 40 11.477 15.890 15.878
282 HB3 PRO 40 2HB PRO 40 11.474 16.500 14.219
283 HG2 PRO 40 1HG PRO 40 9.228 16.370 16.194
284 HG3 PRO 40 2HG PRO 40 9.672 17.685 15.090
285 HD2 PRO 40 1HD PRO 40 7.654 15.959 14.561
286 HD3 PRO 40 2HD PRO 40 8.651 16.683 13.283
287 H SER 41 H SER 41 12.567 13.599 15.661
288 HA SER 41 HA SER 41 10.946 11.785 17.314
289 HB2 SER 41 1HB SER 41 12.924 11.025 15.727
290 HB3 SER 41 2HB SER 41 13.915 11.510 17.102
291 HG SER 41 HG SER 41 13.279 9.291 17.174
292 H GLY 42 H GLY 42 11.051 14.461 18.070
293 HA2 GLY 42 1HA GLY 42 11.681 15.885 19.777
294 HA3 GLY 42 2HA GLY 42 11.540 14.421 20.739
295 HA PRO 43 HA PRO 43 15.853 15.908 21.290
296 HB2 PRO 43 1HB PRO 43 15.986 15.203 23.908
297 HB3 PRO 43 2HB PRO 43 15.310 16.742 23.360
298 HG2 PRO 43 1HG PRO 43 13.895 14.224 24.149
299 HG3 PRO 43 2HG PRO 43 13.498 15.905 24.554
300 HD2 PRO 43 1HD PRO 43 12.219 14.536 22.598
301 HD3 PRO 43 2HD PRO 43 12.488 16.289 22.518
302 H SER 44 H SER 44 14.333 12.998 21.044
303 HA SER 44 HA SER 44 16.788 11.481 21.639
304 HB2 SER 44 1HB SER 44 15.283 9.484 21.799
305 HB3 SER 44 2HB SER 44 14.969 10.709 23.028
306 HG SER 44 HG SER 44 12.993 10.354 22.283
307 H SER 45 H SER 45 17.643 12.026 19.561
308 HA SER 45 HA SER 45 16.296 10.695 17.307
309 HB2 SER 45 1HB SER 45 16.812 13.206 17.197
310 HB3 SER 45 2HB SER 45 18.505 12.733 17.054
311 HG SER 45 HG SER 45 17.324 13.040 15.028
312 H GLY 46 H GLY 46 17.077 8.625 17.527
313 HA2 GLY 46 1HA GLY 46 19.079 7.551 16.289
314 HA3 GLY 46 2HA GLY 46 19.997 8.278 17.599