Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
504537 | 2em9 RC | 10181 | 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 1H GLY 1 2.001 -28.701 10.732
2 HA2 GLY 1 1HA GLY 1 1.503 -30.021 8.868
3 HA3 GLY 1 2HA GLY 1 1.510 -31.442 9.902
4 H SER 2 H SER 2 -0.374 -28.529 9.154
5 HA SER 2 HA SER 2 -2.786 -29.814 10.181
6 HB2 SER 2 1HB SER 2 -3.851 -27.612 9.790
7 HB3 SER 2 2HB SER 2 -2.418 -27.482 10.809
8 HG SER 2 HG SER 2 -2.894 -26.154 8.623
9 H SER 3 H SER 3 -1.628 -28.307 7.174
10 HA SER 3 HA SER 3 -2.221 -28.594 4.996
11 HB2 SER 3 1HB SER 3 -1.670 -30.974 5.551
12 HB3 SER 3 2HB SER 3 -3.376 -31.238 5.912
13 HG SER 3 HG SER 3 -3.757 -31.376 3.855
14 H GLY 4 H GLY 4 -3.962 -27.080 6.541
15 HA2 GLY 4 1HA GLY 4 -6.019 -26.296 5.234
16 HA3 GLY 4 2HA GLY 4 -6.633 -27.901 5.601
17 H SER 5 H SER 5 -6.868 -24.790 6.492
18 HA SER 5 HA SER 5 -8.137 -25.432 8.979
19 HB2 SER 5 1HB SER 5 -6.709 -23.847 10.331
20 HB3 SER 5 2HB SER 5 -5.912 -25.351 9.870
21 HG SER 5 HG SER 5 -5.180 -22.841 9.324
22 H SER 6 H SER 6 -9.002 -23.417 10.047
23 HA SER 6 HA SER 6 -9.965 -21.622 7.955
24 HB2 SER 6 1HB SER 6 -11.475 -22.846 9.661
25 HB3 SER 6 2HB SER 6 -10.920 -21.630 10.811
26 HG SER 6 HG SER 6 -12.679 -20.718 9.942
27 H GLY 7 H GLY 7 -9.573 -19.466 7.891
28 HA2 GLY 7 1HA GLY 7 -9.028 -17.571 9.619
29 HA3 GLY 7 2HA GLY 7 -7.522 -18.470 9.731
30 H THR 8 H THR 8 -9.532 -17.753 6.896
31 HA THR 8 HA THR 8 -7.170 -16.786 5.502
32 HB THR 8 HB THR 8 -9.996 -17.158 4.491
33 HG1 THR 8 HG1 THR 8 -7.761 -18.835 4.680
34 HG21 THR 8 3HG2 THR 8 -7.996 -17.256 2.455
35 HG22 THR 8 1HG2 THR 8 -7.806 -15.759 3.368
36 HG23 THR 8 2HG2 THR 8 -9.355 -16.143 2.616
37 H GLY 9 H GLY 9 -6.793 -14.799 6.539
38 HA2 GLY 9 1HA GLY 9 -8.795 -12.719 5.904
39 HA3 GLY 9 2HA GLY 9 -7.865 -12.708 7.395
40 H GLU 10 H GLU 10 -8.120 -11.137 4.623
41 HA GLU 10 HA GLU 10 -5.320 -10.325 4.668
42 HB2 GLU 10 1HB GLU 10 -5.139 -10.422 2.213
43 HB3 GLU 10 2HB GLU 10 -5.372 -12.014 2.921
44 HG2 GLU 10 1HG GLU 10 -6.780 -12.065 1.102
45 HG3 GLU 10 2HG GLU 10 -7.871 -11.621 2.413
46 H LYS 11 H LYS 11 -5.028 -8.187 4.291
47 HA LYS 11 HA LYS 11 -7.252 -6.455 4.422
48 HB2 LYS 11 1HB LYS 11 -4.322 -6.016 3.893
49 HB3 LYS 11 2HB LYS 11 -5.469 -4.683 3.860
50 HG2 LYS 11 1HG LYS 11 -5.879 -4.801 6.124
51 HG3 LYS 11 2HG LYS 11 -5.373 -6.488 6.234
52 HD2 LYS 11 1HD LYS 11 -3.036 -5.610 5.609
53 HD3 LYS 11 2HD LYS 11 -3.676 -4.020 6.034
54 HE2 LYS 11 1HE LYS 11 -2.798 -4.659 8.049
55 HE3 LYS 11 2HE LYS 11 -4.441 -5.276 8.214
56 HZ1 LYS 11 3HZ LYS 11 -3.742 -7.448 7.808
57 HZ2 LYS 11 1HZ LYS 11 -2.539 -6.824 8.821
58 HZ3 LYS 11 2HZ LYS 11 -2.257 -6.965 7.159
59 HA PRO 12 HA PRO 12 -8.411 -5.993 0.205
60 HB2 PRO 12 1HB PRO 12 -9.479 -3.499 0.294
61 HB3 PRO 12 2HB PRO 12 -10.282 -4.914 0.986
62 HG2 PRO 12 1HG PRO 12 -8.656 -2.803 2.351
63 HG3 PRO 12 2HG PRO 12 -10.183 -3.546 2.864
64 HD2 PRO 12 1HD PRO 12 -7.786 -4.290 3.880
65 HD3 PRO 12 2HD PRO 12 -9.136 -5.427 3.687
66 H TYR 13 H TYR 13 -6.664 -3.277 1.684
67 HA TYR 13 HA TYR 13 -5.713 -2.375 -0.907
68 HB2 TYR 13 1HB TYR 13 -4.970 -1.325 1.828
69 HB3 TYR 13 2HB TYR 13 -4.739 -0.517 0.281
70 HD1 TYR 13 HD2 TYR 13 -6.621 0.510 -0.880
71 HD2 TYR 13 HD1 TYR 13 -7.149 -1.395 2.888
72 HE1 TYR 13 HE2 TYR 13 -8.814 1.597 -0.645
73 HE2 TYR 13 HE1 TYR 13 -9.345 -0.315 3.133
74 HH TYR 13 HH TYR 13 -10.426 1.901 2.151
75 H ASN 14 H ASN 14 -3.801 -2.861 -1.779
76 HA ASN 14 HA ASN 14 -1.616 -3.801 -0.094
77 HB2 ASN 14 1HB ASN 14 -1.222 -5.741 -1.649
78 HB3 ASN 14 2HB ASN 14 -2.664 -5.884 -0.647
79 HD21 ASN 14 1HD2 ASN 14 -1.424 -5.949 -3.771
80 HD22 ASN 14 2HD2 ASN 14 -2.920 -5.989 -4.635
81 H CYS 15 H CYS 15 0.106 -2.658 -0.647
82 HA CYS 15 HA CYS 15 0.261 -1.081 -2.980
83 HB2 CYS 15 1HB CYS 15 1.458 -0.504 -0.920
84 HB3 CYS 15 2HB CYS 15 2.463 -1.940 -1.091
85 H LYS 16 H LYS 16 1.534 -1.283 -4.829
86 HA LYS 16 HA LYS 16 2.250 -4.053 -5.499
87 HB2 LYS 16 1HB LYS 16 0.594 -3.115 -6.983
88 HB3 LYS 16 2HB LYS 16 1.583 -1.686 -7.254
89 HG2 LYS 16 1HG LYS 16 1.784 -3.063 -9.172
90 HG3 LYS 16 2HG LYS 16 3.306 -3.178 -8.285
91 HD2 LYS 16 1HD LYS 16 2.926 -5.349 -7.646
92 HD3 LYS 16 2HD LYS 16 1.171 -5.175 -7.714
93 HE2 LYS 16 1HE LYS 16 1.568 -4.893 -10.269
94 HE3 LYS 16 2HE LYS 16 3.119 -5.661 -9.933
95 HZ1 LYS 16 3HZ LYS 16 2.124 -7.622 -9.879
96 HZ2 LYS 16 1HZ LYS 16 0.655 -6.892 -10.295
97 HZ3 LYS 16 2HZ LYS 16 1.061 -7.108 -8.668
98 H GLU 17 H GLU 17 3.509 -0.843 -5.144
99 HA GLU 17 HA GLU 17 5.842 -0.982 -6.646
100 HB2 GLU 17 1HB GLU 17 5.102 0.481 -4.135
101 HB3 GLU 17 2HB GLU 17 6.746 0.567 -4.752
102 HG2 GLU 17 1HG GLU 17 4.394 1.197 -6.494
103 HG3 GLU 17 2HG GLU 17 5.099 2.405 -5.421
104 H CYS 18 H CYS 18 5.535 -1.637 -3.150
105 HA CYS 18 HA CYS 18 8.000 -3.225 -3.302
106 HB2 CYS 18 1HB CYS 18 7.969 -3.047 -0.801
107 HB3 CYS 18 2HB CYS 18 8.113 -1.502 -1.633
108 H GLY 19 H GLY 19 4.631 -3.357 -2.251
109 HA2 GLY 19 1HA GLY 19 3.407 -5.423 -2.617
110 HA3 GLY 19 2HA GLY 19 4.871 -6.298 -2.192
111 H LYS 20 H LYS 20 3.341 -3.556 -0.546
112 HA LYS 20 HA LYS 20 3.282 -5.164 1.905
113 HB2 LYS 20 1HB LYS 20 3.373 -2.225 1.341
114 HB3 LYS 20 2HB LYS 20 2.733 -2.789 2.879
115 HG2 LYS 20 1HG LYS 20 4.912 -4.104 3.099
116 HG3 LYS 20 2HG LYS 20 5.505 -3.093 1.780
117 HD2 LYS 20 1HD LYS 20 6.177 -1.837 3.570
118 HD3 LYS 20 2HD LYS 20 4.570 -1.155 3.312
119 HE2 LYS 20 1HE LYS 20 5.253 -3.338 5.279
120 HE3 LYS 20 2HE LYS 20 5.009 -1.639 5.682
121 HZ1 LYS 20 3HZ LYS 20 2.732 -1.901 4.685
122 HZ2 LYS 20 1HZ LYS 20 2.992 -2.729 6.137
123 HZ3 LYS 20 2HZ LYS 20 3.005 -3.571 4.671
124 H SER 21 H SER 21 1.401 -4.175 3.428
125 HA SER 21 HA SER 21 -1.092 -4.207 1.865
126 HB2 SER 21 1HB SER 21 -2.108 -5.613 3.665
127 HB3 SER 21 2HB SER 21 -0.829 -6.436 2.773
128 HG SER 21 HG SER 21 -0.923 -6.346 5.281
129 H PHE 22 H PHE 22 -2.982 -3.420 3.135
130 HA PHE 22 HA PHE 22 -2.467 -1.797 5.454
131 HB2 PHE 22 1HB PHE 22 -3.204 -0.450 2.847
132 HB3 PHE 22 2HB PHE 22 -3.139 0.336 4.421
133 HD1 PHE 22 HD2 PHE 22 -1.097 -1.348 1.843
134 HD2 PHE 22 HD1 PHE 22 -1.112 1.138 5.297
135 HE1 PHE 22 HE2 PHE 22 1.285 -0.843 1.485
136 HE2 PHE 22 HE1 PHE 22 1.269 1.648 4.945
137 HZ PHE 22 HZ PHE 22 2.471 0.656 3.038
138 H ARG 23 H ARG 23 -4.298 -1.411 6.610
139 HA ARG 23 HA ARG 23 -6.656 -2.844 5.863
140 HB2 ARG 23 1HB ARG 23 -6.139 -0.967 8.178
141 HB3 ARG 23 2HB ARG 23 -7.569 -1.975 7.998
142 HG2 ARG 23 1HG ARG 23 -6.389 -3.938 8.380
143 HG3 ARG 23 2HG ARG 23 -4.835 -3.188 8.010
144 HD2 ARG 23 1HD ARG 23 -5.325 -1.706 10.068
145 HD3 ARG 23 2HD ARG 23 -6.514 -2.942 10.480
146 HE ARG 23 HE ARG 23 -4.307 -4.407 10.077
147 HH11 ARG 23 1HH1 ARG 23 -4.867 -1.514 11.930
148 HH12 ARG 23 2HH1 ARG 23 -3.650 -1.877 13.109
149 HH21 ARG 23 1HH2 ARG 23 -2.702 -4.896 11.622
150 HH22 ARG 23 2HH2 ARG 23 -2.419 -3.801 12.932
151 H TRP 24 H TRP 24 -5.896 0.600 6.316
152 HA TRP 24 HA TRP 24 -8.415 1.275 4.960
153 HB2 TRP 24 1HB TRP 24 -6.718 2.673 6.977
154 HB3 TRP 24 2HB TRP 24 -7.641 3.657 5.844
155 HD1 TRP 24 HD1 TRP 24 -7.993 2.614 9.188
156 HE1 TRP 24 HE1 TRP 24 -10.445 2.286 9.899
157 HE3 TRP 24 HE3 TRP 24 -10.155 2.370 4.561
158 HZ2 TRP 24 HZ2 TRP 24 -12.962 1.966 8.663
159 HZ3 TRP 24 HZ3 TRP 24 -12.590 2.051 4.413
160 HH2 TRP 24 HH2 TRP 24 -13.963 1.853 6.422
161 H ALA 25 H ALA 25 -8.353 3.145 3.473
162 HA ALA 25 HA ALA 25 -6.383 2.774 1.472
163 HB1 ALA 25 3HB ALA 25 -7.886 5.279 1.330
164 HB2 ALA 25 1HB ALA 25 -7.770 3.954 0.171
165 HB3 ALA 25 2HB ALA 25 -8.892 3.844 1.528
166 H SER 26 H SER 26 -7.107 5.656 3.455
167 HA SER 26 HA SER 26 -5.054 7.287 2.730
168 HB2 SER 26 1HB SER 26 -5.146 8.224 5.049
169 HB3 SER 26 2HB SER 26 -6.733 8.028 4.305
170 HG SER 26 HG SER 26 -5.510 6.396 6.269
171 H CYS 27 H CYS 27 -4.903 4.700 5.154
172 HA CYS 27 HA CYS 27 -2.340 5.061 6.096
173 HB2 CYS 27 1HB CYS 27 -4.128 2.704 5.783
174 HB3 CYS 27 2HB CYS 27 -2.433 2.388 6.134
175 HG CYS 27 HG CYS 27 -4.182 4.563 8.080
176 H LEU 28 H LEU 28 -3.388 3.475 3.125
177 HA LEU 28 HA LEU 28 -0.721 2.655 2.411
178 HB2 LEU 28 1HB LEU 28 -2.351 1.222 1.591
179 HB3 LEU 28 2HB LEU 28 -3.403 2.545 1.095
180 HG LEU 28 HG LEU 28 -1.843 3.044 -0.758
181 HD11 LEU 28 1HD1 LEU 28 0.001 1.656 0.650
182 HD12 LEU 28 2HD1 LEU 28 0.120 2.000 -1.075
183 HD13 LEU 28 3HD1 LEU 28 -0.497 0.442 -0.528
184 HD21 LEU 28 3HD2 LEU 28 -3.812 1.580 -1.057
185 HD22 LEU 28 1HD2 LEU 28 -2.791 0.181 -0.724
186 HD23 LEU 28 2HD2 LEU 28 -2.484 1.177 -2.147
187 H LEU 29 H LEU 29 -3.029 5.100 1.259
188 HA LEU 29 HA LEU 29 -1.577 6.192 -0.811
189 HB2 LEU 29 1HB LEU 29 -3.733 7.005 -0.578
190 HB3 LEU 29 2HB LEU 29 -3.527 7.339 1.141
191 HG LEU 29 HG LEU 29 -1.955 9.208 0.436
192 HD11 LEU 29 1HD1 LEU 29 -2.079 10.038 -1.786
193 HD12 LEU 29 2HD1 LEU 29 -3.327 8.872 -2.221
194 HD13 LEU 29 3HD1 LEU 29 -1.684 8.322 -1.895
195 HD21 LEU 29 3HD2 LEU 29 -4.091 10.534 -0.476
196 HD22 LEU 29 1HD2 LEU 29 -3.886 10.092 1.219
197 HD23 LEU 29 2HD2 LEU 29 -4.898 9.103 0.167
198 H LYS 30 H LYS 30 -1.196 6.686 2.644
199 HA LYS 30 HA LYS 30 0.614 8.869 2.460
200 HB2 LYS 30 1HB LYS 30 -0.743 8.172 4.492
201 HB3 LYS 30 2HB LYS 30 0.436 6.890 4.730
202 HG2 LYS 30 1HG LYS 30 2.168 8.422 5.167
203 HG3 LYS 30 2HG LYS 30 1.221 9.782 4.559
204 HD2 LYS 30 1HD LYS 30 0.949 10.091 6.809
205 HD3 LYS 30 2HD LYS 30 -0.429 9.037 6.483
206 HE2 LYS 30 1HE LYS 30 0.959 7.095 7.137
207 HE3 LYS 30 2HE LYS 30 2.265 8.203 7.554
208 HZ1 LYS 30 3HZ LYS 30 1.311 8.044 9.576
209 HZ2 LYS 30 1HZ LYS 30 -0.216 7.642 8.968
210 HZ3 LYS 30 2HZ LYS 30 0.295 9.254 8.972
211 H HIS 31 H HIS 31 1.031 5.367 2.750
212 HA HIS 31 HA HIS 31 3.842 5.392 3.004
213 HB2 HIS 31 1HB HIS 31 2.946 3.359 3.628
214 HB3 HIS 31 2HB HIS 31 1.793 3.337 2.297
215 HD1 HIS 31 HD1 HIS 31 5.520 2.891 2.873
216 HD2 HIS 31 HD2 HIS 31 2.539 1.775 0.202
217 HE1 HIS 31 HE1 HIS 31 6.609 1.269 1.289
218 H GLN 32 H GLN 32 1.704 5.554 0.254
219 HA GLN 32 HA GLN 32 3.417 4.802 -1.799
220 HB2 GLN 32 1HB GLN 32 1.110 6.718 -1.660
221 HB3 GLN 32 2HB GLN 32 2.023 6.528 -3.152
222 HG2 GLN 32 1HG GLN 32 1.559 4.039 -2.934
223 HG3 GLN 32 2HG GLN 32 0.381 4.483 -1.699
224 HE21 GLN 32 1HE2 GLN 32 -1.593 4.493 -2.470
225 HE22 GLN 32 2HE2 GLN 32 -2.077 5.019 -4.043
226 H ARG 33 H ARG 33 3.665 7.439 0.306
227 HA ARG 33 HA ARG 33 4.872 9.371 -1.347
228 HB2 ARG 33 1HB ARG 33 4.851 8.838 1.597
229 HB3 ARG 33 2HB ARG 33 5.967 10.032 0.949
230 HG2 ARG 33 1HG ARG 33 3.947 11.102 -0.155
231 HG3 ARG 33 2HG ARG 33 2.969 10.055 0.875
232 HD2 ARG 33 1HD ARG 33 3.153 12.100 2.034
233 HD3 ARG 33 2HD ARG 33 4.272 10.996 2.832
234 HE ARG 33 HE ARG 33 5.612 12.459 0.820
235 HH11 ARG 33 1HH1 ARG 33 4.245 12.811 4.003
236 HH12 ARG 33 2HH1 ARG 33 5.314 14.094 4.462
237 HH21 ARG 33 1HH2 ARG 33 7.025 14.149 1.414
238 HH22 ARG 33 2HH2 ARG 33 6.894 14.855 2.989
239 H VAL 34 H VAL 34 6.102 6.498 0.192
240 HA VAL 34 HA VAL 34 8.867 7.131 -0.027
241 HB VAL 34 HB VAL 34 9.272 4.759 0.400
242 HG11 VAL 34 1HG1 VAL 34 7.255 6.219 2.054
243 HG12 VAL 34 2HG1 VAL 34 7.765 4.593 2.511
244 HG13 VAL 34 3HG1 VAL 34 8.954 5.890 2.392
245 HG21 VAL 34 3HG2 VAL 34 6.714 4.450 -0.787
246 HG22 VAL 34 1HG2 VAL 34 7.842 3.198 -0.265
247 HG23 VAL 34 2HG2 VAL 34 6.629 3.817 0.857
248 H HIS 35 H HIS 35 6.503 5.765 -2.188
249 HA HIS 35 HA HIS 35 8.548 4.962 -4.108
250 HB2 HIS 35 1HB HIS 35 5.536 4.746 -4.293
251 HB3 HIS 35 2HB HIS 35 6.699 4.018 -5.398
252 HD1 HIS 35 HD1 HIS 35 8.542 2.437 -3.858
253 HD2 HIS 35 HD2 HIS 35 4.616 2.890 -2.578
254 HE1 HIS 35 HE1 HIS 35 8.113 0.504 -2.308
255 H SER 36 H SER 36 7.917 7.806 -3.365
256 HA SER 36 HA SER 36 7.196 8.787 -6.049
257 HB2 SER 36 1HB SER 36 6.859 10.098 -3.344
258 HB3 SER 36 2HB SER 36 6.603 10.932 -4.876
259 HG SER 36 HG SER 36 4.789 9.865 -5.171
260 H GLY 37 H GLY 37 9.320 9.333 -3.260
261 HA2 GLY 37 1HA GLY 37 11.224 10.637 -5.106
262 HA3 GLY 37 2HA GLY 37 10.962 11.222 -3.469
263 H GLU 38 H GLU 38 13.013 9.488 -5.345
264 HA GLU 38 HA GLU 38 13.698 7.279 -3.744
265 HB2 GLU 38 1HB GLU 38 15.115 8.857 -5.858
266 HB3 GLU 38 2HB GLU 38 16.008 7.662 -4.928
267 HG2 GLU 38 1HG GLU 38 14.587 5.904 -5.680
268 HG3 GLU 38 2HG GLU 38 13.477 7.050 -6.429
269 H LYS 39 H LYS 39 15.302 6.979 -2.201
270 HA LYS 39 HA LYS 39 16.228 9.449 -0.890
271 HB2 LYS 39 1HB LYS 39 15.470 6.753 0.210
272 HB3 LYS 39 2HB LYS 39 16.467 7.869 1.134
273 HG2 LYS 39 1HG LYS 39 14.597 9.570 0.747
274 HG3 LYS 39 2HG LYS 39 13.618 8.184 0.260
275 HD2 LYS 39 1HD LYS 39 13.169 8.492 2.552
276 HD3 LYS 39 2HD LYS 39 14.288 7.129 2.476
277 HE2 LYS 39 1HE LYS 39 16.149 8.668 2.972
278 HE3 LYS 39 2HE LYS 39 14.994 9.994 3.108
279 HZ1 LYS 39 3HZ LYS 39 15.206 9.371 5.280
280 HZ2 LYS 39 1HZ LYS 39 15.455 7.736 4.923
281 HZ3 LYS 39 2HZ LYS 39 13.899 8.394 4.834
282 HA PRO 40 HA PRO 40 20.390 8.302 -1.743
283 HB2 PRO 40 1HB PRO 40 21.636 9.654 0.255
284 HB3 PRO 40 2HB PRO 40 20.946 10.455 -1.162
285 HG2 PRO 40 1HG PRO 40 19.799 10.148 1.586
286 HG3 PRO 40 2HG PRO 40 19.807 11.572 0.530
287 HD2 PRO 40 1HD PRO 40 17.641 9.970 0.798
288 HD3 PRO 40 2HD PRO 40 18.023 10.814 -0.716
289 H SER 41 H SER 41 20.228 6.057 -1.259
290 HA SER 41 HA SER 41 21.437 5.354 1.324
291 HB2 SER 41 1HB SER 41 18.949 4.201 0.094
292 HB3 SER 41 2HB SER 41 19.953 3.221 1.163
293 HG SER 41 HG SER 41 19.732 5.289 2.547
294 H GLY 42 H GLY 42 23.434 5.087 0.302
295 HA2 GLY 42 1HA GLY 42 24.295 2.649 -0.428
296 HA3 GLY 42 2HA GLY 42 23.666 3.271 -1.947
297 HA PRO 43 HA PRO 43 27.585 5.097 -2.704
298 HB2 PRO 43 1HB PRO 43 26.851 7.064 -4.425
299 HB3 PRO 43 2HB PRO 43 26.887 5.356 -4.877
300 HG2 PRO 43 1HG PRO 43 24.557 7.052 -4.065
301 HG3 PRO 43 2HG PRO 43 24.671 5.860 -5.373
302 HD2 PRO 43 1HD PRO 43 23.502 5.305 -2.995
303 HD3 PRO 43 2HD PRO 43 24.362 4.077 -3.946
304 H SER 44 H SER 44 25.097 6.673 -1.054
305 HA SER 44 HA SER 44 25.965 9.304 -0.847
306 HB2 SER 44 1HB SER 44 24.717 7.680 1.381
307 HB3 SER 44 2HB SER 44 24.672 9.433 1.194
308 HG SER 44 HG SER 44 23.098 7.524 0.057
309 H SER 45 H SER 45 26.687 6.613 1.381
310 HA SER 45 HA SER 45 28.863 8.174 2.543
311 HB2 SER 45 1HB SER 45 27.328 7.011 4.072
312 HB3 SER 45 2HB SER 45 27.753 5.468 3.332
313 HG SER 45 HG SER 45 29.841 7.044 4.287
314 H GLY 46 H GLY 46 30.150 8.066 0.570
315 HA2 GLY 46 1HA GLY 46 31.624 7.042 -0.914
316 HA3 GLY 46 2HA GLY 46 32.347 6.551 0.610
Start of MODEL 2
1 H1 GLY 1 1H GLY 1 7.220 -29.927 8.584
2 HA2 GLY 1 1HA GLY 1 6.685 -27.592 9.943
3 HA3 GLY 1 2HA GLY 1 6.184 -27.897 8.287
4 H SER 2 H SER 2 5.177 -27.508 11.523
5 HA SER 2 HA SER 2 2.426 -28.278 10.806
6 HB2 SER 2 1HB SER 2 2.004 -28.528 13.211
7 HB3 SER 2 2HB SER 2 3.356 -29.542 12.707
8 HG SER 2 HG SER 2 3.327 -27.679 14.587
9 H SER 3 H SER 3 1.763 -26.363 9.879
10 HA SER 3 HA SER 3 1.604 -24.063 11.713
11 HB2 SER 3 1HB SER 3 2.220 -24.108 8.763
12 HB3 SER 3 2HB SER 3 1.608 -22.659 9.561
13 HG SER 3 HG SER 3 4.083 -23.913 9.787
14 H GLY 4 H GLY 4 -0.343 -23.058 11.896
15 HA2 GLY 4 1HA GLY 4 -2.544 -24.170 10.266
16 HA3 GLY 4 2HA GLY 4 -2.716 -23.754 11.965
17 H SER 5 H SER 5 -3.374 -22.743 8.906
18 HA SER 5 HA SER 5 -3.133 -19.889 9.488
19 HB2 SER 5 1HB SER 5 -3.724 -19.543 7.144
20 HB3 SER 5 2HB SER 5 -2.413 -20.716 7.266
21 HG SER 5 HG SER 5 -4.735 -21.028 6.072
22 H SER 6 H SER 6 -4.728 -19.362 10.900
23 HA SER 6 HA SER 6 -7.492 -19.843 9.999
24 HB2 SER 6 1HB SER 6 -6.942 -21.210 11.992
25 HB3 SER 6 2HB SER 6 -6.533 -19.737 12.870
26 HG SER 6 HG SER 6 -8.634 -19.134 12.859
27 H GLY 7 H GLY 7 -7.819 -17.871 9.044
28 HA2 GLY 7 1HA GLY 7 -8.724 -15.717 9.220
29 HA3 GLY 7 2HA GLY 7 -8.142 -15.632 10.876
30 H THR 8 H THR 8 -6.401 -16.323 7.858
31 HA THR 8 HA THR 8 -4.042 -15.158 8.301
32 HB THR 8 HB THR 8 -3.939 -14.481 5.893
33 HG1 THR 8 HG1 THR 8 -6.671 -15.289 5.979
34 HG21 THR 8 3HG2 THR 8 -5.218 -17.150 5.847
35 HG22 THR 8 1HG2 THR 8 -3.857 -16.946 6.949
36 HG23 THR 8 2HG2 THR 8 -3.651 -16.634 5.225
37 H GLY 9 H GLY 9 -6.926 -13.350 7.257
38 HA2 GLY 9 1HA GLY 9 -7.494 -11.188 8.003
39 HA3 GLY 9 2HA GLY 9 -5.843 -10.973 8.565
40 H GLU 10 H GLU 10 -7.268 -11.800 5.404
41 HA GLU 10 HA GLU 10 -5.377 -10.404 3.893
42 HB2 GLU 10 1HB GLU 10 -7.090 -12.154 3.126
43 HB3 GLU 10 2HB GLU 10 -8.228 -10.818 3.016
44 HG2 GLU 10 1HG GLU 10 -6.277 -9.752 1.585
45 HG3 GLU 10 2HG GLU 10 -5.869 -11.449 1.336
46 H LYS 11 H LYS 11 -5.307 -8.371 3.009
47 HA LYS 11 HA LYS 11 -7.224 -6.430 4.122
48 HB2 LYS 11 1HB LYS 11 -4.301 -6.202 3.443
49 HB3 LYS 11 2HB LYS 11 -5.316 -4.775 3.601
50 HG2 LYS 11 1HG LYS 11 -5.565 -5.028 5.861
51 HG3 LYS 11 2HG LYS 11 -5.317 -6.774 5.804
52 HD2 LYS 11 1HD LYS 11 -2.978 -6.531 5.561
53 HD3 LYS 11 2HD LYS 11 -3.120 -4.809 5.199
54 HE2 LYS 11 1HE LYS 11 -2.400 -4.826 7.407
55 HE3 LYS 11 2HE LYS 11 -4.145 -4.629 7.560
56 HZ1 LYS 11 3HZ LYS 11 -3.840 -7.312 7.567
57 HZ2 LYS 11 1HZ LYS 11 -4.002 -6.350 8.949
58 HZ3 LYS 11 2HZ LYS 11 -2.464 -6.803 8.409
59 HA PRO 12 HA PRO 12 -8.584 -5.478 0.047
60 HB2 PRO 12 1HB PRO 12 -9.467 -2.944 0.453
61 HB3 PRO 12 2HB PRO 12 -10.329 -4.368 1.047
62 HG2 PRO 12 1HG PRO 12 -8.486 -2.521 2.514
63 HG3 PRO 12 2HG PRO 12 -10.031 -3.213 3.043
64 HD2 PRO 12 1HD PRO 12 -7.640 -4.213 3.830
65 HD3 PRO 12 2HD PRO 12 -9.076 -5.234 3.607
66 H TYR 13 H TYR 13 -6.382 -3.279 1.696
67 HA TYR 13 HA TYR 13 -5.517 -2.189 -0.887
68 HB2 TYR 13 1HB TYR 13 -4.760 -1.230 1.877
69 HB3 TYR 13 2HB TYR 13 -4.487 -0.396 0.351
70 HD1 TYR 13 HD2 TYR 13 -6.337 0.696 -0.819
71 HD2 TYR 13 HD1 TYR 13 -6.931 -1.214 2.936
72 HE1 TYR 13 HE2 TYR 13 -8.491 1.857 -0.576
73 HE2 TYR 13 HE1 TYR 13 -9.088 -0.059 3.189
74 HH TYR 13 HH TYR 13 -10.596 1.259 2.217
75 H ASN 14 H ASN 14 -3.661 -2.808 -1.776
76 HA ASN 14 HA ASN 14 -1.485 -3.789 -0.104
77 HB2 ASN 14 1HB ASN 14 -1.302 -5.687 -1.974
78 HB3 ASN 14 2HB ASN 14 -2.239 -5.914 -0.501
79 HD21 ASN 14 1HD2 ASN 14 -2.543 -4.739 -3.825
80 HD22 ASN 14 2HD2 ASN 14 -4.154 -5.317 -4.066
81 H CYS 15 H CYS 15 0.175 -2.569 -0.696
82 HA CYS 15 HA CYS 15 0.351 -1.188 -3.150
83 HB2 CYS 15 1HB CYS 15 1.474 -0.506 -1.020
84 HB3 CYS 15 2HB CYS 15 2.611 -1.831 -1.247
85 H LYS 16 H LYS 16 1.259 -1.689 -5.059
86 HA LYS 16 HA LYS 16 2.222 -4.419 -5.416
87 HB2 LYS 16 1HB LYS 16 1.147 -2.296 -7.213
88 HB3 LYS 16 2HB LYS 16 2.225 -3.499 -7.909
89 HG2 LYS 16 1HG LYS 16 0.689 -5.245 -6.891
90 HG3 LYS 16 2HG LYS 16 -0.445 -3.923 -6.605
91 HD2 LYS 16 1HD LYS 16 -0.425 -3.403 -9.004
92 HD3 LYS 16 2HD LYS 16 0.690 -4.743 -9.280
93 HE2 LYS 16 1HE LYS 16 -2.057 -5.035 -8.071
94 HE3 LYS 16 2HE LYS 16 -1.696 -5.272 -9.780
95 HZ1 LYS 16 3HZ LYS 16 -1.713 -7.376 -8.644
96 HZ2 LYS 16 1HZ LYS 16 -0.575 -6.833 -7.516
97 HZ3 LYS 16 2HZ LYS 16 -0.133 -7.029 -9.137
98 H GLU 17 H GLU 17 3.362 -1.132 -5.463
99 HA GLU 17 HA GLU 17 5.695 -1.353 -6.937
100 HB2 GLU 17 1HB GLU 17 4.951 0.326 -4.560
101 HB3 GLU 17 2HB GLU 17 6.562 0.422 -5.255
102 HG2 GLU 17 1HG GLU 17 5.102 2.169 -6.116
103 HG3 GLU 17 2HG GLU 17 5.631 1.076 -7.394
104 H CYS 18 H CYS 18 5.519 -1.546 -3.377
105 HA CYS 18 HA CYS 18 8.026 -3.052 -3.380
106 HB2 CYS 18 1HB CYS 18 8.058 -2.625 -0.963
107 HB3 CYS 18 2HB CYS 18 7.871 -1.127 -1.869
108 H GLY 19 H GLY 19 4.684 -3.298 -2.219
109 HA2 GLY 19 1HA GLY 19 3.597 -5.481 -2.486
110 HA3 GLY 19 2HA GLY 19 5.107 -6.211 -1.961
111 H LYS 20 H LYS 20 3.463 -3.414 -0.558
112 HA LYS 20 HA LYS 20 3.404 -4.827 2.007
113 HB2 LYS 20 1HB LYS 20 3.441 -1.955 1.194
114 HB3 LYS 20 2HB LYS 20 2.706 -2.378 2.735
115 HG2 LYS 20 1HG LYS 20 4.855 -3.578 3.290
116 HG3 LYS 20 2HG LYS 20 5.547 -2.810 1.859
117 HD2 LYS 20 1HD LYS 20 5.251 -0.644 2.763
118 HD3 LYS 20 2HD LYS 20 4.201 -1.244 4.049
119 HE2 LYS 20 1HE LYS 20 7.001 -2.259 3.848
120 HE3 LYS 20 2HE LYS 20 6.711 -0.660 4.531
121 HZ1 LYS 20 3HZ LYS 20 5.206 -3.003 5.503
122 HZ2 LYS 20 1HZ LYS 20 5.516 -1.537 6.290
123 HZ3 LYS 20 2HZ LYS 20 6.756 -2.670 6.095
124 H SER 21 H SER 21 1.464 -3.910 3.433
125 HA SER 21 HA SER 21 -1.010 -3.942 1.860
126 HB2 SER 21 1HB SER 21 -0.641 -5.663 4.318
127 HB3 SER 21 2HB SER 21 -2.014 -5.650 3.210
128 HG SER 21 HG SER 21 -0.120 -6.177 1.631
129 H PHE 22 H PHE 22 -2.900 -3.233 3.090
130 HA PHE 22 HA PHE 22 -2.449 -1.898 5.614
131 HB2 PHE 22 1HB PHE 22 -3.243 -0.279 3.186
132 HB3 PHE 22 2HB PHE 22 -3.094 0.322 4.834
133 HD1 PHE 22 HD2 PHE 22 -1.246 -0.902 1.904
134 HD2 PHE 22 HD1 PHE 22 -0.968 0.847 5.774
135 HE1 PHE 22 HE2 PHE 22 1.119 -0.369 1.489
136 HE2 PHE 22 HE1 PHE 22 1.398 1.384 5.366
137 HZ PHE 22 HZ PHE 22 2.445 0.775 3.221
138 H ARG 23 H ARG 23 -4.386 -1.246 6.652
139 HA ARG 23 HA ARG 23 -6.653 -2.852 5.927
140 HB2 ARG 23 1HB ARG 23 -6.192 -0.866 8.155
141 HB3 ARG 23 2HB ARG 23 -7.685 -1.775 7.960
142 HG2 ARG 23 1HG ARG 23 -6.622 -3.126 9.438
143 HG3 ARG 23 2HG ARG 23 -6.009 -3.820 7.936
144 HD2 ARG 23 1HD ARG 23 -4.011 -2.372 8.135
145 HD3 ARG 23 2HD ARG 23 -4.617 -1.798 9.688
146 HE ARG 23 HE ARG 23 -4.336 -4.664 9.485
147 HH11 ARG 23 1HH1 ARG 23 -2.811 -1.655 10.348
148 HH12 ARG 23 2HH1 ARG 23 -1.652 -2.395 11.401
149 HH21 ARG 23 1HH2 ARG 23 -2.814 -5.649 10.869
150 HH22 ARG 23 2HH2 ARG 23 -1.653 -4.666 11.697
151 H TRP 24 H TRP 24 -6.095 0.649 6.280
152 HA TRP 24 HA TRP 24 -8.532 1.126 4.705
153 HB2 TRP 24 1HB TRP 24 -7.048 2.770 6.733
154 HB3 TRP 24 2HB TRP 24 -8.117 3.547 5.568
155 HD1 TRP 24 HD1 TRP 24 -8.208 2.297 8.950
156 HE1 TRP 24 HE1 TRP 24 -10.608 1.762 9.711
157 HE3 TRP 24 HE3 TRP 24 -10.521 2.285 4.391
158 HZ2 TRP 24 HZ2 TRP 24 -13.146 1.383 8.534
159 HZ3 TRP 24 HZ3 TRP 24 -12.937 1.827 4.296
160 HH2 TRP 24 HH2 TRP 24 -14.220 1.385 6.325
161 H ALA 25 H ALA 25 -8.379 3.213 3.354
162 HA ALA 25 HA ALA 25 -6.323 2.829 1.419
163 HB1 ALA 25 3HB ALA 25 -8.040 5.273 1.474
164 HB2 ALA 25 1HB ALA 25 -7.468 4.334 0.096
165 HB3 ALA 25 2HB ALA 25 -8.756 3.701 1.121
166 H SER 26 H SER 26 -7.128 5.636 3.475
167 HA SER 26 HA SER 26 -5.121 7.346 2.915
168 HB2 SER 26 1HB SER 26 -5.161 8.016 5.350
169 HB3 SER 26 2HB SER 26 -6.745 7.937 4.579
170 HG SER 26 HG SER 26 -5.576 6.147 6.417
171 H CYS 27 H CYS 27 -4.842 4.634 5.202
172 HA CYS 27 HA CYS 27 -2.232 4.987 6.016
173 HB2 CYS 27 1HB CYS 27 -3.963 2.569 5.672
174 HB3 CYS 27 2HB CYS 27 -2.266 2.357 6.086
175 HG CYS 27 HG CYS 27 -4.453 4.229 7.936
176 H LEU 28 H LEU 28 -3.402 3.217 3.167
177 HA LEU 28 HA LEU 28 -0.836 2.433 2.260
178 HB2 LEU 28 1HB LEU 28 -2.580 1.170 1.402
179 HB3 LEU 28 2HB LEU 28 -3.554 2.590 1.027
180 HG LEU 28 HG LEU 28 -2.020 3.103 -0.844
181 HD11 LEU 28 1HD1 LEU 28 0.025 2.144 -0.226
182 HD12 LEU 28 2HD1 LEU 28 -0.546 1.155 -1.569
183 HD13 LEU 28 3HD1 LEU 28 -0.706 0.570 0.087
184 HD21 LEU 28 3HD2 LEU 28 -4.073 1.339 -0.777
185 HD22 LEU 28 1HD2 LEU 28 -2.783 0.326 -1.427
186 HD23 LEU 28 2HD2 LEU 28 -3.225 1.824 -2.246
187 H LEU 29 H LEU 29 -2.949 5.159 1.449
188 HA LEU 29 HA LEU 29 -1.455 6.252 -0.630
189 HB2 LEU 29 1HB LEU 29 -3.583 7.145 -0.317
190 HB3 LEU 29 2HB LEU 29 -3.315 7.423 1.402
191 HG LEU 29 HG LEU 29 -1.606 9.191 0.629
192 HD11 LEU 29 1HD1 LEU 29 -1.282 9.069 -1.602
193 HD12 LEU 29 2HD1 LEU 29 -2.688 10.133 -1.634
194 HD13 LEU 29 3HD1 LEU 29 -2.886 8.403 -1.911
195 HD21 LEU 29 3HD2 LEU 29 -3.285 10.326 1.569
196 HD22 LEU 29 1HD2 LEU 29 -4.510 9.267 0.870
197 HD23 LEU 29 2HD2 LEU 29 -3.855 10.603 -0.077
198 H LYS 30 H LYS 30 -1.310 6.998 2.848
199 HA LYS 30 HA LYS 30 0.707 8.910 2.759
200 HB2 LYS 30 1HB LYS 30 -0.251 6.995 4.848
201 HB3 LYS 30 2HB LYS 30 1.218 7.916 5.144
202 HG2 LYS 30 1HG LYS 30 -1.387 9.199 4.370
203 HG3 LYS 30 2HG LYS 30 -0.913 8.905 6.045
204 HD2 LYS 30 1HD LYS 30 1.152 10.228 5.629
205 HD3 LYS 30 2HD LYS 30 0.537 10.608 4.018
206 HE2 LYS 30 1HE LYS 30 -1.441 11.651 5.048
207 HE3 LYS 30 2HE LYS 30 -0.775 11.309 6.644
208 HZ1 LYS 30 3HZ LYS 30 0.368 13.110 4.582
209 HZ2 LYS 30 1HZ LYS 30 1.172 12.678 6.006
210 HZ3 LYS 30 2HZ LYS 30 -0.273 13.553 6.083
211 H HIS 31 H HIS 31 0.896 5.411 2.682
212 HA HIS 31 HA HIS 31 3.728 5.285 3.076
213 HB2 HIS 31 1HB HIS 31 2.746 3.285 3.665
214 HB3 HIS 31 2HB HIS 31 1.580 3.345 2.346
215 HD1 HIS 31 HD1 HIS 31 5.254 2.627 2.934
216 HD2 HIS 31 HD2 HIS 31 2.259 1.866 0.157
217 HE1 HIS 31 HE1 HIS 31 6.254 1.003 1.295
218 H GLN 32 H GLN 32 1.579 5.335 0.285
219 HA GLN 32 HA GLN 32 3.283 4.623 -1.748
220 HB2 GLN 32 1HB GLN 32 1.021 6.588 -1.612
221 HB3 GLN 32 2HB GLN 32 1.939 6.398 -3.100
222 HG2 GLN 32 1HG GLN 32 1.421 3.940 -2.974
223 HG3 GLN 32 2HG GLN 32 0.302 4.328 -1.668
224 HE21 GLN 32 1HE2 GLN 32 -1.702 4.876 -2.187
225 HE22 GLN 32 2HE2 GLN 32 -2.255 5.284 -3.772
226 H ARG 33 H ARG 33 3.403 7.428 0.242
227 HA ARG 33 HA ARG 33 4.669 9.305 -1.321
228 HB2 ARG 33 1HB ARG 33 4.817 8.626 1.588
229 HB3 ARG 33 2HB ARG 33 5.927 9.823 0.934
230 HG2 ARG 33 1HG ARG 33 3.965 11.082 0.070
231 HG3 ARG 33 2HG ARG 33 2.921 9.929 0.904
232 HD2 ARG 33 1HD ARG 33 3.061 11.601 2.472
233 HD3 ARG 33 2HD ARG 33 4.392 10.560 2.975
234 HE ARG 33 HE ARG 33 5.187 12.609 1.131
235 HH11 ARG 33 1HH1 ARG 33 4.589 11.861 4.479
236 HH12 ARG 33 2HH1 ARG 33 5.634 13.107 5.079
237 HH21 ARG 33 1HH2 ARG 33 6.565 14.252 1.909
238 HH22 ARG 33 2HH2 ARG 33 6.756 14.467 3.616
239 H VAL 34 H VAL 34 6.171 6.646 0.500
240 HA VAL 34 HA VAL 34 8.830 7.150 0.004
241 HB VAL 34 HB VAL 34 9.289 4.863 0.426
242 HG11 VAL 34 1HG1 VAL 34 8.420 4.737 2.506
243 HG12 VAL 34 2HG1 VAL 34 7.814 6.348 2.119
244 HG13 VAL 34 3HG1 VAL 34 6.762 4.943 1.943
245 HG21 VAL 34 3HG2 VAL 34 7.667 3.080 0.222
246 HG22 VAL 34 1HG2 VAL 34 6.415 4.233 -0.240
247 HG23 VAL 34 2HG2 VAL 34 7.788 3.945 -1.310
248 H HIS 35 H HIS 35 6.422 5.788 -2.149
249 HA HIS 35 HA HIS 35 8.377 5.114 -4.176
250 HB2 HIS 35 1HB HIS 35 5.353 5.044 -4.205
251 HB3 HIS 35 2HB HIS 35 6.377 4.483 -5.524
252 HD1 HIS 35 HD1 HIS 35 8.358 2.698 -4.340
253 HD2 HIS 35 HD2 HIS 35 4.491 2.896 -2.834
254 HE1 HIS 35 HE1 HIS 35 8.004 0.534 -3.109
255 H SER 36 H SER 36 8.011 7.923 -3.252
256 HA SER 36 HA SER 36 6.700 9.419 -5.261
257 HB2 SER 36 1HB SER 36 8.031 11.338 -4.354
258 HB3 SER 36 2HB SER 36 7.158 10.434 -3.117
259 HG SER 36 HG SER 36 9.846 10.784 -3.455
260 H GLY 37 H GLY 37 10.157 8.716 -4.740
261 HA2 GLY 37 1HA GLY 37 11.936 8.721 -6.189
262 HA3 GLY 37 2HA GLY 37 10.768 8.286 -7.428
263 H GLU 38 H GLU 38 11.248 9.545 -9.119
264 HA GLU 38 HA GLU 38 12.210 12.219 -8.851
265 HB2 GLU 38 1HB GLU 38 12.155 12.296 -11.265
266 HB3 GLU 38 2HB GLU 38 12.798 10.742 -10.753
267 HG2 GLU 38 1HG GLU 38 10.586 9.731 -11.137
268 HG3 GLU 38 2HG GLU 38 10.004 11.286 -11.727
269 H LYS 39 H LYS 39 11.152 14.103 -9.852
270 HA LYS 39 HA LYS 39 8.420 14.302 -8.937
271 HB2 LYS 39 1HB LYS 39 10.363 16.287 -10.110
272 HB3 LYS 39 2HB LYS 39 8.694 16.706 -9.744
273 HG2 LYS 39 1HG LYS 39 9.919 17.419 -7.887
274 HG3 LYS 39 2HG LYS 39 9.177 15.899 -7.380
275 HD2 LYS 39 1HD LYS 39 11.266 14.719 -7.844
276 HD3 LYS 39 2HD LYS 39 12.008 16.230 -8.375
277 HE2 LYS 39 1HE LYS 39 10.842 15.872 -5.626
278 HE3 LYS 39 2HE LYS 39 12.518 15.475 -6.004
279 HZ1 LYS 39 3HZ LYS 39 11.240 18.072 -5.748
280 HZ2 LYS 39 1HZ LYS 39 12.366 17.929 -7.002
281 HZ3 LYS 39 2HZ LYS 39 12.831 17.609 -5.408
282 HA PRO 40 HA PRO 40 6.432 13.603 -12.799
283 HB2 PRO 40 1HB PRO 40 4.137 14.990 -12.374
284 HB3 PRO 40 2HB PRO 40 4.480 13.440 -11.598
285 HG2 PRO 40 1HG PRO 40 4.768 16.211 -10.502
286 HG3 PRO 40 2HG PRO 40 4.113 14.761 -9.720
287 HD2 PRO 40 1HD PRO 40 6.626 15.657 -9.257
288 HD3 PRO 40 2HD PRO 40 6.205 13.933 -9.220
289 H SER 41 H SER 41 7.219 16.768 -11.670
290 HA SER 41 HA SER 41 7.317 18.823 -12.686
291 HB2 SER 41 1HB SER 41 9.210 17.355 -13.666
292 HB3 SER 41 2HB SER 41 8.225 17.315 -15.128
293 HG SER 41 HG SER 41 9.556 19.465 -13.928
294 H GLY 42 H GLY 42 4.725 17.754 -12.835
295 HA2 GLY 42 1HA GLY 42 3.797 18.203 -15.564
296 HA3 GLY 42 2HA GLY 42 2.822 17.652 -14.209
297 HA PRO 43 HA PRO 43 2.650 22.407 -14.996
298 HB2 PRO 43 1HB PRO 43 0.678 22.578 -16.854
299 HB3 PRO 43 2HB PRO 43 2.393 22.491 -17.277
300 HG2 PRO 43 1HG PRO 43 0.334 20.318 -17.257
301 HG3 PRO 43 2HG PRO 43 1.589 20.659 -18.463
302 HD2 PRO 43 1HD PRO 43 1.854 18.717 -16.594
303 HD3 PRO 43 2HD PRO 43 3.238 19.635 -17.219
304 H SER 44 H SER 44 0.978 23.738 -14.184
305 HA SER 44 HA SER 44 -1.265 22.255 -12.976
306 HB2 SER 44 1HB SER 44 0.447 24.481 -11.910
307 HB3 SER 44 2HB SER 44 -1.188 24.245 -11.294
308 HG SER 44 HG SER 44 -0.616 22.187 -10.634
309 H SER 45 H SER 45 -3.114 22.704 -13.959
310 HA SER 45 HA SER 45 -3.512 25.397 -15.074
311 HB2 SER 45 1HB SER 45 -4.463 22.684 -15.881
312 HB3 SER 45 2HB SER 45 -5.497 24.069 -16.233
313 HG SER 45 HG SER 45 -3.966 24.899 -17.541
314 H GLY 46 H GLY 46 -4.560 26.655 -13.670
315 HA2 GLY 46 1HA GLY 46 -6.186 27.415 -12.239
316 HA3 GLY 46 2HA GLY 46 -7.227 26.185 -12.941
Start of MODEL 3
1 H1 GLY 1 1H GLY 1 6.657 -25.959 12.278
2 HA2 GLY 1 1HA GLY 1 7.617 -28.377 10.882
3 HA3 GLY 1 2HA GLY 1 7.033 -28.348 12.540
4 H SER 2 H SER 2 4.684 -27.217 12.551
5 HA SER 2 HA SER 2 3.005 -27.906 10.343
6 HB2 SER 2 1HB SER 2 1.681 -29.642 11.553
7 HB3 SER 2 2HB SER 2 3.322 -30.163 11.172
8 HG SER 2 HG SER 2 3.659 -29.173 13.460
9 H SER 3 H SER 3 1.369 -26.519 10.368
10 HA SER 3 HA SER 3 0.206 -25.685 12.917
11 HB2 SER 3 1HB SER 3 1.479 -23.856 10.894
12 HB3 SER 3 2HB SER 3 0.191 -23.281 11.954
13 HG SER 3 HG SER 3 2.789 -24.129 12.598
14 H GLY 4 H GLY 4 -1.835 -24.421 12.579
15 HA2 GLY 4 1HA GLY 4 -3.261 -25.525 10.246
16 HA3 GLY 4 2HA GLY 4 -4.009 -25.123 11.785
17 H SER 5 H SER 5 -3.860 -22.754 12.395
18 HA SER 5 HA SER 5 -4.923 -21.221 10.211
19 HB2 SER 5 1HB SER 5 -5.686 -21.146 12.662
20 HB3 SER 5 2HB SER 5 -4.264 -20.143 12.949
21 HG SER 5 HG SER 5 -5.957 -19.458 10.835
22 H SER 6 H SER 6 -3.602 -20.366 8.748
23 HA SER 6 HA SER 6 -1.186 -18.976 9.704
24 HB2 SER 6 1HB SER 6 -0.868 -21.192 8.379
25 HB3 SER 6 2HB SER 6 -1.324 -20.228 6.974
26 HG SER 6 HG SER 6 0.410 -18.739 7.997
27 H GLY 7 H GLY 7 -2.436 -17.036 9.769
28 HA2 GLY 7 1HA GLY 7 -2.277 -15.000 8.350
29 HA3 GLY 7 2HA GLY 7 -3.039 -15.954 7.085
30 H THR 8 H THR 8 -3.522 -14.266 10.101
31 HA THR 8 HA THR 8 -6.033 -14.833 10.887
32 HB THR 8 HB THR 8 -5.041 -12.001 10.512
33 HG1 THR 8 HG1 THR 8 -4.054 -12.259 12.484
34 HG21 THR 8 3HG2 THR 8 -7.506 -12.950 11.421
35 HG22 THR 8 1HG2 THR 8 -6.858 -11.323 11.616
36 HG23 THR 8 2HG2 THR 8 -6.608 -12.529 12.879
37 H GLY 9 H GLY 9 -5.223 -12.720 8.143
38 HA2 GLY 9 1HA GLY 9 -7.579 -13.485 6.723
39 HA3 GLY 9 2HA GLY 9 -7.742 -11.876 7.410
40 H GLU 10 H GLU 10 -7.813 -10.842 5.421
41 HA GLU 10 HA GLU 10 -5.211 -10.458 4.181
42 HB2 GLU 10 1HB GLU 10 -6.180 -12.279 2.869
43 HB3 GLU 10 2HB GLU 10 -7.636 -11.330 2.600
44 HG2 GLU 10 1HG GLU 10 -6.362 -9.698 1.332
45 HG3 GLU 10 2HG GLU 10 -4.880 -10.603 1.634
46 H LYS 11 H LYS 11 -4.921 -8.340 4.141
47 HA LYS 11 HA LYS 11 -6.988 -6.456 4.507
48 HB2 LYS 11 1HB LYS 11 -4.148 -6.101 3.535
49 HB3 LYS 11 2HB LYS 11 -5.224 -4.772 3.950
50 HG2 LYS 11 1HG LYS 11 -5.389 -5.675 6.246
51 HG3 LYS 11 2HG LYS 11 -4.213 -6.917 5.807
52 HD2 LYS 11 1HD LYS 11 -2.493 -5.342 5.527
53 HD3 LYS 11 2HD LYS 11 -3.626 -3.990 5.463
54 HE2 LYS 11 1HE LYS 11 -4.219 -4.856 7.895
55 HE3 LYS 11 2HE LYS 11 -2.577 -5.493 7.805
56 HZ1 LYS 11 3HZ LYS 11 -2.497 -2.875 6.872
57 HZ2 LYS 11 1HZ LYS 11 -1.842 -3.483 8.309
58 HZ3 LYS 11 2HZ LYS 11 -3.411 -2.850 8.296
59 HA PRO 12 HA PRO 12 -8.539 -5.909 0.424
60 HB2 PRO 12 1HB PRO 12 -9.527 -3.392 0.669
61 HB3 PRO 12 2HB PRO 12 -10.300 -4.803 1.402
62 HG2 PRO 12 1HG PRO 12 -8.497 -2.767 2.654
63 HG3 PRO 12 2HG PRO 12 -9.988 -3.485 3.292
64 HD2 PRO 12 1HD PRO 12 -7.527 -4.313 4.061
65 HD3 PRO 12 2HD PRO 12 -8.919 -5.411 3.971
66 H TYR 13 H TYR 13 -6.307 -3.592 1.816
67 HA TYR 13 HA TYR 13 -5.632 -2.597 -0.862
68 HB2 TYR 13 1HB TYR 13 -4.775 -1.497 1.821
69 HB3 TYR 13 2HB TYR 13 -4.535 -0.741 0.250
70 HD1 TYR 13 HD2 TYR 13 -6.381 0.339 -0.907
71 HD2 TYR 13 HD1 TYR 13 -6.952 -1.478 2.897
72 HE1 TYR 13 HE2 TYR 13 -8.532 1.511 -0.677
73 HE2 TYR 13 HE1 TYR 13 -9.105 -0.312 3.138
74 HH TYR 13 HH TYR 13 -10.785 0.953 0.756
75 H ASN 14 H ASN 14 -3.640 -2.872 -1.742
76 HA ASN 14 HA ASN 14 -1.478 -3.980 -0.144
77 HB2 ASN 14 1HB ASN 14 -1.106 -5.828 -1.793
78 HB3 ASN 14 2HB ASN 14 -2.580 -6.004 -0.845
79 HD21 ASN 14 1HD2 ASN 14 -1.230 -5.656 -3.960
80 HD22 ASN 14 2HD2 ASN 14 -2.706 -5.702 -4.856
81 H CYS 15 H CYS 15 0.216 -2.757 -0.609
82 HA CYS 15 HA CYS 15 0.367 -1.157 -2.963
83 HB2 CYS 15 1HB CYS 15 1.347 -0.576 -0.705
84 HB3 CYS 15 2HB CYS 15 2.612 -1.757 -1.032
85 H LYS 16 H LYS 16 0.854 -1.908 -4.907
86 HA LYS 16 HA LYS 16 2.168 -4.412 -5.314
87 HB2 LYS 16 1HB LYS 16 0.412 -3.186 -6.805
88 HB3 LYS 16 2HB LYS 16 1.813 -2.359 -7.473
89 HG2 LYS 16 1HG LYS 16 1.637 -4.097 -8.932
90 HG3 LYS 16 2HG LYS 16 2.725 -4.809 -7.739
91 HD2 LYS 16 1HD LYS 16 0.749 -5.828 -6.628
92 HD3 LYS 16 2HD LYS 16 -0.259 -5.209 -7.937
93 HE2 LYS 16 1HE LYS 16 1.123 -6.492 -9.544
94 HE3 LYS 16 2HE LYS 16 2.019 -7.171 -8.186
95 HZ1 LYS 16 3HZ LYS 16 -0.664 -7.576 -7.640
96 HZ2 LYS 16 1HZ LYS 16 0.483 -8.742 -8.072
97 HZ3 LYS 16 2HZ LYS 16 -0.457 -7.999 -9.265
98 H GLU 17 H GLU 17 3.136 -1.039 -5.432
99 HA GLU 17 HA GLU 17 5.499 -1.087 -6.780
100 HB2 GLU 17 1HB GLU 17 4.633 0.399 -4.327
101 HB3 GLU 17 2HB GLU 17 6.284 0.570 -4.907
102 HG2 GLU 17 1HG GLU 17 4.975 2.358 -5.788
103 HG3 GLU 17 2HG GLU 17 5.392 1.266 -7.107
104 H CYS 18 H CYS 18 5.309 -1.572 -3.248
105 HA CYS 18 HA CYS 18 7.868 -2.992 -3.361
106 HB2 CYS 18 1HB CYS 18 7.834 -2.747 -0.878
107 HB3 CYS 18 2HB CYS 18 7.795 -1.211 -1.737
108 H GLY 19 H GLY 19 4.518 -3.389 -2.314
109 HA2 GLY 19 1HA GLY 19 3.477 -5.561 -2.636
110 HA3 GLY 19 2HA GLY 19 5.009 -6.296 -2.189
111 H LYS 20 H LYS 20 3.265 -3.652 -0.600
112 HA LYS 20 HA LYS 20 3.222 -5.282 1.849
113 HB2 LYS 20 1HB LYS 20 3.333 -2.314 1.378
114 HB3 LYS 20 2HB LYS 20 2.818 -2.968 2.927
115 HG2 LYS 20 1HG LYS 20 4.934 -4.039 3.252
116 HG3 LYS 20 2HG LYS 20 5.453 -3.606 1.621
117 HD2 LYS 20 1HD LYS 20 6.477 -1.940 2.802
118 HD3 LYS 20 2HD LYS 20 4.923 -1.163 2.490
119 HE2 LYS 20 1HE LYS 20 5.502 -0.854 4.804
120 HE3 LYS 20 2HE LYS 20 4.135 -1.962 4.700
121 HZ1 LYS 20 3HZ LYS 20 5.324 -3.629 5.566
122 HZ2 LYS 20 1HZ LYS 20 6.370 -2.419 6.119
123 HZ3 LYS 20 2HZ LYS 20 6.719 -3.249 4.687
124 H SER 21 H SER 21 1.369 -4.370 3.384
125 HA SER 21 HA SER 21 -1.114 -4.280 1.800
126 HB2 SER 21 1HB SER 21 -0.653 -5.774 4.393
127 HB3 SER 21 2HB SER 21 -2.194 -5.652 3.545
128 HG SER 21 HG SER 21 -1.352 -7.526 2.836
129 H PHE 22 H PHE 22 -2.966 -3.337 2.944
130 HA PHE 22 HA PHE 22 -2.367 -1.646 5.227
131 HB2 PHE 22 1HB PHE 22 -3.102 -0.543 2.515
132 HB3 PHE 22 2HB PHE 22 -3.318 0.371 4.004
133 HD1 PHE 22 HD2 PHE 22 -0.796 -1.272 1.858
134 HD2 PHE 22 HD1 PHE 22 -1.520 1.493 5.011
135 HE1 PHE 22 HE2 PHE 22 1.541 -0.514 1.725
136 HE2 PHE 22 HE1 PHE 22 0.815 2.257 4.883
137 HZ PHE 22 HZ PHE 22 2.350 1.252 3.239
138 H ARG 23 H ARG 23 -4.141 -1.186 6.454
139 HA ARG 23 HA ARG 23 -6.474 -2.748 6.043
140 HB2 ARG 23 1HB ARG 23 -5.420 -1.884 8.254
141 HB3 ARG 23 2HB ARG 23 -6.351 -0.425 7.941
142 HG2 ARG 23 1HG ARG 23 -7.838 -1.546 9.237
143 HG3 ARG 23 2HG ARG 23 -8.314 -2.171 7.656
144 HD2 ARG 23 1HD ARG 23 -7.131 -4.193 7.999
145 HD3 ARG 23 2HD ARG 23 -6.292 -3.545 9.408
146 HE ARG 23 HE ARG 23 -9.167 -3.670 9.654
147 HH11 ARG 23 1HH1 ARG 23 -6.137 -5.307 10.159
148 HH12 ARG 23 2HH1 ARG 23 -6.761 -6.361 11.384
149 HH21 ARG 23 1HH2 ARG 23 -10.001 -5.052 11.266
150 HH22 ARG 23 2HH2 ARG 23 -8.959 -6.216 12.012
151 H TRP 24 H TRP 24 -5.949 0.777 6.014
152 HA TRP 24 HA TRP 24 -8.437 1.038 4.458
153 HB2 TRP 24 1HB TRP 24 -7.091 2.958 6.360
154 HB3 TRP 24 2HB TRP 24 -8.383 3.444 5.267
155 HD1 TRP 24 HD1 TRP 24 -7.947 2.455 8.706
156 HE1 TRP 24 HE1 TRP 24 -10.129 1.555 9.731
157 HE3 TRP 24 HE3 TRP 24 -10.604 1.682 4.408
158 HZ2 TRP 24 HZ2 TRP 24 -12.644 0.637 8.837
159 HZ3 TRP 24 HZ3 TRP 24 -12.891 0.790 4.580
160 HH2 TRP 24 HH2 TRP 24 -13.888 0.279 6.749
161 H ALA 25 H ALA 25 -8.395 3.128 3.078
162 HA ALA 25 HA ALA 25 -6.333 2.830 1.153
163 HB1 ALA 25 3HB ALA 25 -8.217 3.551 0.115
164 HB2 ALA 25 1HB ALA 25 -8.717 4.556 1.475
165 HB3 ALA 25 2HB ALA 25 -7.455 5.119 0.378
166 H SER 26 H SER 26 -7.150 5.547 3.317
167 HA SER 26 HA SER 26 -5.131 7.285 2.714
168 HB2 SER 26 1HB SER 26 -6.236 6.662 5.463
169 HB3 SER 26 2HB SER 26 -5.297 8.098 5.056
170 HG SER 26 HG SER 26 -6.943 8.690 3.610
171 H CYS 27 H CYS 27 -4.950 4.813 5.281
172 HA CYS 27 HA CYS 27 -2.393 5.119 6.131
173 HB2 CYS 27 1HB CYS 27 -3.934 2.569 5.649
174 HB3 CYS 27 2HB CYS 27 -2.368 2.593 6.450
175 HG CYS 27 HG CYS 27 -5.384 3.505 7.616
176 H LEU 28 H LEU 28 -3.417 3.389 3.215
177 HA LEU 28 HA LEU 28 -0.803 2.550 2.476
178 HB2 LEU 28 1HB LEU 28 -2.502 1.282 1.538
179 HB3 LEU 28 2HB LEU 28 -3.449 2.700 1.094
180 HG LEU 28 HG LEU 28 -1.810 3.188 -0.694
181 HD11 LEU 28 1HD1 LEU 28 -0.512 0.799 -1.104
182 HD12 LEU 28 2HD1 LEU 28 -0.376 1.036 0.638
183 HD13 LEU 28 3HD1 LEU 28 0.211 2.277 -0.468
184 HD21 LEU 28 3HD2 LEU 28 -3.410 0.685 -0.587
185 HD22 LEU 28 1HD2 LEU 28 -2.350 0.940 -1.973
186 HD23 LEU 28 2HD2 LEU 28 -3.610 2.116 -1.600
187 H LEU 29 H LEU 29 -2.834 5.305 1.594
188 HA LEU 29 HA LEU 29 -1.320 6.378 -0.462
189 HB2 LEU 29 1HB LEU 29 -3.023 7.665 1.649
190 HB3 LEU 29 2HB LEU 29 -2.235 8.608 0.385
191 HG LEU 29 HG LEU 29 -4.248 6.409 -0.089
192 HD11 LEU 29 1HD1 LEU 29 -5.747 7.947 0.507
193 HD12 LEU 29 2HD1 LEU 29 -5.313 8.781 -0.984
194 HD13 LEU 29 3HD1 LEU 29 -4.543 9.235 0.536
195 HD21 LEU 29 3HD2 LEU 29 -3.826 8.295 -2.231
196 HD22 LEU 29 1HD2 LEU 29 -3.741 6.533 -2.249
197 HD23 LEU 29 2HD2 LEU 29 -2.323 7.480 -1.796
198 H LYS 30 H LYS 30 -1.184 7.366 2.966
199 HA LYS 30 HA LYS 30 0.922 9.091 2.898
200 HB2 LYS 30 1HB LYS 30 0.047 7.104 4.969
201 HB3 LYS 30 2HB LYS 30 1.483 8.084 5.239
202 HG2 LYS 30 1HG LYS 30 0.213 10.103 5.117
203 HG3 LYS 30 2HG LYS 30 -1.228 9.224 4.600
204 HD2 LYS 30 1HD LYS 30 -1.511 9.703 6.908
205 HD3 LYS 30 2HD LYS 30 -1.120 7.986 6.793
206 HE2 LYS 30 1HE LYS 30 0.275 8.621 8.497
207 HE3 LYS 30 2HE LYS 30 1.338 8.850 7.109
208 HZ1 LYS 30 3HZ LYS 30 0.920 11.177 7.138
209 HZ2 LYS 30 1HZ LYS 30 1.325 10.724 8.716
210 HZ3 LYS 30 2HZ LYS 30 -0.289 11.020 8.310
211 H HIS 31 H HIS 31 1.047 5.589 2.744
212 HA HIS 31 HA HIS 31 3.887 5.407 3.036
213 HB2 HIS 31 1HB HIS 31 2.791 3.436 3.627
214 HB3 HIS 31 2HB HIS 31 1.714 3.500 2.235
215 HD1 HIS 31 HD1 HIS 31 5.350 2.795 3.043
216 HD2 HIS 31 HD2 HIS 31 2.518 1.996 0.110
217 HE1 HIS 31 HE1 HIS 31 6.448 1.163 1.476
218 H GLN 32 H GLN 32 1.650 5.539 0.314
219 HA GLN 32 HA GLN 32 3.254 4.847 -1.792
220 HB2 GLN 32 1HB GLN 32 1.248 7.105 -1.681
221 HB3 GLN 32 2HB GLN 32 1.908 6.423 -3.162
222 HG2 GLN 32 1HG GLN 32 0.971 4.209 -2.436
223 HG3 GLN 32 2HG GLN 32 0.136 5.074 -1.146
224 HE21 GLN 32 1HE2 GLN 32 -1.918 4.734 -1.837
225 HE22 GLN 32 2HE2 GLN 32 -2.557 5.374 -3.309
226 H ARG 33 H ARG 33 3.431 7.702 0.179
227 HA ARG 33 HA ARG 33 4.816 9.465 -1.426
228 HB2 ARG 33 1HB ARG 33 4.854 8.933 1.523
229 HB3 ARG 33 2HB ARG 33 5.969 10.105 0.833
230 HG2 ARG 33 1HG ARG 33 4.022 11.299 -0.142
231 HG3 ARG 33 2HG ARG 33 2.964 10.180 0.720
232 HD2 ARG 33 1HD ARG 33 3.552 11.023 2.797
233 HD3 ARG 33 2HD ARG 33 5.070 11.695 2.204
234 HE ARG 33 HE ARG 33 3.051 13.055 0.896
235 HH11 ARG 33 1HH1 ARG 33 4.105 12.577 4.179
236 HH12 ARG 33 2HH1 ARG 33 3.530 14.118 4.726
237 HH21 ARG 33 1HH2 ARG 33 2.290 15.086 1.603
238 HH22 ARG 33 2HH2 ARG 33 2.497 15.543 3.260
239 H VAL 34 H VAL 34 6.035 6.681 0.360
240 HA VAL 34 HA VAL 34 8.775 7.123 0.065
241 HB VAL 34 HB VAL 34 9.063 4.709 0.376
242 HG11 VAL 34 1HG1 VAL 34 8.781 5.821 2.401
243 HG12 VAL 34 2HG1 VAL 34 7.076 6.157 2.090
244 HG13 VAL 34 3HG1 VAL 34 7.596 4.517 2.483
245 HG21 VAL 34 3HG2 VAL 34 6.474 3.768 0.813
246 HG22 VAL 34 1HG2 VAL 34 6.395 4.641 -0.717
247 HG23 VAL 34 2HG2 VAL 34 7.555 3.329 -0.509
248 H HIS 35 H HIS 35 6.398 5.966 -2.201
249 HA HIS 35 HA HIS 35 8.458 5.187 -4.122
250 HB2 HIS 35 1HB HIS 35 5.443 5.006 -4.307
251 HB3 HIS 35 2HB HIS 35 6.582 4.362 -5.486
252 HD1 HIS 35 HD1 HIS 35 8.446 2.662 -4.118
253 HD2 HIS 35 HD2 HIS 35 4.558 3.036 -2.704
254 HE1 HIS 35 HE1 HIS 35 8.046 0.621 -2.704
255 H SER 36 H SER 36 7.916 8.001 -3.283
256 HA SER 36 HA SER 36 7.089 9.130 -5.871
257 HB2 SER 36 1HB SER 36 5.787 9.889 -3.909
258 HB3 SER 36 2HB SER 36 7.271 10.498 -3.175
259 HG SER 36 HG SER 36 6.275 12.195 -4.215
260 H GLY 37 H GLY 37 8.443 10.412 -7.032
261 HA2 GLY 37 1HA GLY 37 10.339 11.985 -7.015
262 HA3 GLY 37 2HA GLY 37 11.121 10.895 -5.879
263 H GLU 38 H GLU 38 12.616 11.540 -7.944
264 HA GLU 38 HA GLU 38 12.889 9.041 -9.363
265 HB2 GLU 38 1HB GLU 38 11.351 10.167 -10.851
266 HB3 GLU 38 2HB GLU 38 12.345 11.617 -10.846
267 HG2 GLU 38 1HG GLU 38 14.053 10.566 -12.095
268 HG3 GLU 38 2HG GLU 38 13.334 8.973 -11.867
269 H LYS 39 H LYS 39 14.956 8.601 -9.004
270 HA LYS 39 HA LYS 39 16.943 10.367 -8.249
271 HB2 LYS 39 1HB LYS 39 16.940 7.626 -9.427
272 HB3 LYS 39 2HB LYS 39 18.470 8.489 -9.336
273 HG2 LYS 39 1HG LYS 39 18.220 8.732 -6.936
274 HG3 LYS 39 2HG LYS 39 16.646 7.935 -7.003
275 HD2 LYS 39 1HD LYS 39 17.960 6.157 -6.419
276 HD3 LYS 39 2HD LYS 39 18.051 6.032 -8.178
277 HE2 LYS 39 1HE LYS 39 20.268 5.813 -7.424
278 HE3 LYS 39 2HE LYS 39 20.141 7.468 -8.018
279 HZ1 LYS 39 3HZ LYS 39 20.424 6.497 -5.270
280 HZ2 LYS 39 1HZ LYS 39 19.546 7.921 -5.522
281 HZ3 LYS 39 2HZ LYS 39 21.157 7.820 -6.027
282 HA PRO 40 HA PRO 40 18.312 12.504 -11.830
283 HB2 PRO 40 1HB PRO 40 20.990 12.642 -11.406
284 HB3 PRO 40 2HB PRO 40 19.820 13.587 -10.477
285 HG2 PRO 40 1HG PRO 40 21.199 11.031 -9.747
286 HG3 PRO 40 2HG PRO 40 20.901 12.467 -8.749
287 HD2 PRO 40 1HD PRO 40 19.374 10.237 -8.585
288 HD3 PRO 40 2HD PRO 40 18.721 11.864 -8.309
289 H SER 41 H SER 41 18.963 12.115 -13.891
290 HA SER 41 HA SER 41 20.007 9.433 -14.456
291 HB2 SER 41 1HB SER 41 18.329 11.383 -15.976
292 HB3 SER 41 2HB SER 41 19.327 10.248 -16.885
293 HG SER 41 HG SER 41 17.513 9.483 -14.844
294 H GLY 42 H GLY 42 20.519 12.841 -15.313
295 HA2 GLY 42 1HA GLY 42 22.581 12.696 -17.087
296 HA3 GLY 42 2HA GLY 42 22.475 13.940 -15.850
297 HA PRO 43 HA PRO 43 26.111 12.445 -13.923
298 HB2 PRO 43 1HB PRO 43 25.566 12.792 -11.286
299 HB3 PRO 43 2HB PRO 43 25.883 14.138 -12.387
300 HG2 PRO 43 1HG PRO 43 23.264 13.071 -11.405
301 HG3 PRO 43 2HG PRO 43 23.789 14.755 -11.584
302 HD2 PRO 43 1HD PRO 43 22.193 13.526 -13.394
303 HD3 PRO 43 2HD PRO 43 23.367 14.777 -13.850
304 H SER 44 H SER 44 25.783 10.219 -14.600
305 HA SER 44 HA SER 44 24.305 8.267 -13.389
306 HB2 SER 44 1HB SER 44 25.911 6.656 -14.221
307 HB3 SER 44 2HB SER 44 25.754 7.958 -15.401
308 HG SER 44 HG SER 44 27.866 7.442 -13.602
309 H SER 45 H SER 45 27.476 9.473 -12.368
310 HA SER 45 HA SER 45 28.738 9.022 -10.504
311 HB2 SER 45 1HB SER 45 25.976 9.669 -9.534
312 HB3 SER 45 2HB SER 45 27.226 9.237 -8.367
313 HG SER 45 HG SER 45 27.743 11.269 -8.532
314 H GLY 46 H GLY 46 28.205 6.653 -11.757
315 HA2 GLY 46 1HA GLY 46 26.903 4.644 -10.387
316 HA3 GLY 46 2HA GLY 46 28.350 4.396 -11.353
Start of MODEL 4
1 H1 GLY 1 1H GLY 1 2.310 -24.121 5.045
2 HA2 GLY 1 1HA GLY 1 1.047 -26.534 5.590
3 HA3 GLY 1 2HA GLY 1 2.679 -26.384 4.956
4 H SER 2 H SER 2 3.966 -25.181 7.092
5 HA SER 2 HA SER 2 4.109 -27.436 8.927
6 HB2 SER 2 1HB SER 2 5.882 -24.995 8.669
7 HB3 SER 2 2HB SER 2 6.193 -26.379 9.717
8 HG SER 2 HG SER 2 7.213 -27.094 8.016
9 H SER 3 H SER 3 3.655 -27.366 11.074
10 HA SER 3 HA SER 3 1.711 -25.778 12.108
11 HB2 SER 3 1HB SER 3 3.023 -27.846 13.112
12 HB3 SER 3 2HB SER 3 3.906 -26.584 13.971
13 HG SER 3 HG SER 3 1.963 -27.457 15.028
14 H GLY 4 H GLY 4 1.523 -23.683 12.517
15 HA2 GLY 4 1HA GLY 4 2.536 -21.880 13.967
16 HA3 GLY 4 2HA GLY 4 3.990 -22.135 13.013
17 H SER 5 H SER 5 0.546 -21.325 12.640
18 HA SER 5 HA SER 5 1.331 -19.346 10.614
19 HB2 SER 5 1HB SER 5 -0.681 -21.545 10.362
20 HB3 SER 5 2HB SER 5 -0.997 -20.010 9.553
21 HG SER 5 HG SER 5 0.506 -20.453 8.147
22 H SER 6 H SER 6 0.969 -17.518 11.736
23 HA SER 6 HA SER 6 -1.422 -17.250 13.374
24 HB2 SER 6 1HB SER 6 0.917 -15.386 12.912
25 HB3 SER 6 2HB SER 6 -0.432 -15.041 13.993
26 HG SER 6 HG SER 6 0.308 -16.459 15.398
27 H GLY 7 H GLY 7 0.132 -15.404 10.742
28 HA2 GLY 7 1HA GLY 7 -2.154 -15.109 9.177
29 HA3 GLY 7 2HA GLY 7 -2.105 -13.734 10.270
30 H THR 8 H THR 8 -1.726 -14.090 7.279
31 HA THR 8 HA THR 8 1.009 -13.161 6.910
32 HB THR 8 HB THR 8 -1.165 -13.608 4.854
33 HG1 THR 8 HG1 THR 8 -0.353 -15.606 4.642
34 HG21 THR 8 3HG2 THR 8 0.252 -12.896 3.268
35 HG22 THR 8 1HG2 THR 8 1.626 -13.723 4.001
36 HG23 THR 8 2HG2 THR 8 1.140 -12.131 4.585
37 H GLY 9 H GLY 9 -2.305 -11.983 6.387
38 HA2 GLY 9 1HA GLY 9 -2.301 -9.502 7.218
39 HA3 GLY 9 2HA GLY 9 -1.248 -9.307 5.824
40 H GLU 10 H GLU 10 -4.401 -10.772 6.625
41 HA GLU 10 HA GLU 10 -5.413 -10.539 3.988
42 HB2 GLU 10 1HB GLU 10 -7.607 -11.042 5.026
43 HB3 GLU 10 2HB GLU 10 -6.347 -12.168 5.509
44 HG2 GLU 10 1HG GLU 10 -6.103 -10.499 7.530
45 HG3 GLU 10 2HG GLU 10 -7.768 -10.109 7.106
46 H LYS 11 H LYS 11 -5.147 -8.434 3.267
47 HA LYS 11 HA LYS 11 -7.042 -6.504 4.410
48 HB2 LYS 11 1HB LYS 11 -4.133 -6.057 3.785
49 HB3 LYS 11 2HB LYS 11 -5.278 -4.723 3.794
50 HG2 LYS 11 1HG LYS 11 -5.613 -4.844 6.067
51 HG3 LYS 11 2HG LYS 11 -5.121 -6.537 6.156
52 HD2 LYS 11 1HD LYS 11 -2.807 -5.910 5.767
53 HD3 LYS 11 2HD LYS 11 -3.275 -4.218 5.582
54 HE2 LYS 11 1HE LYS 11 -4.215 -4.377 7.935
55 HE3 LYS 11 2HE LYS 11 -3.368 -5.918 8.063
56 HZ1 LYS 11 3HZ LYS 11 -1.352 -4.913 8.120
57 HZ2 LYS 11 1HZ LYS 11 -2.263 -3.656 8.792
58 HZ3 LYS 11 2HZ LYS 11 -1.830 -3.606 7.158
59 HA PRO 12 HA PRO 12 -8.362 -5.965 0.251
60 HB2 PRO 12 1HB PRO 12 -9.385 -3.455 0.407
61 HB3 PRO 12 2HB PRO 12 -10.181 -4.863 1.119
62 HG2 PRO 12 1HG PRO 12 -8.466 -2.792 2.433
63 HG3 PRO 12 2HG PRO 12 -9.981 -3.515 3.003
64 HD2 PRO 12 1HD PRO 12 -7.556 -4.307 3.912
65 HD3 PRO 12 2HD PRO 12 -8.932 -5.420 3.765
66 H TYR 13 H TYR 13 -6.464 -3.338 1.691
67 HA TYR 13 HA TYR 13 -5.565 -2.499 -0.960
68 HB2 TYR 13 1HB TYR 13 -4.833 -1.244 1.684
69 HB3 TYR 13 2HB TYR 13 -4.728 -0.525 0.081
70 HD1 TYR 13 HD2 TYR 13 -6.767 0.223 -1.079
71 HD2 TYR 13 HD1 TYR 13 -6.905 -1.283 2.898
72 HE1 TYR 13 HE2 TYR 13 -9.010 1.192 -0.796
73 HE2 TYR 13 HE1 TYR 13 -9.148 -0.319 3.192
74 HH TYR 13 HH TYR 13 -10.825 0.771 2.228
75 H ASN 14 H ASN 14 -3.561 -2.845 -1.729
76 HA ASN 14 HA ASN 14 -1.423 -3.688 0.053
77 HB2 ASN 14 1HB ASN 14 -0.921 -5.657 -1.477
78 HB3 ASN 14 2HB ASN 14 -2.325 -5.833 -0.428
79 HD21 ASN 14 1HD2 ASN 14 -1.210 -6.253 -3.487
80 HD22 ASN 14 2HD2 ASN 14 -2.712 -6.275 -4.341
81 H CYS 15 H CYS 15 0.152 -2.326 -0.467
82 HA CYS 15 HA CYS 15 0.368 -0.912 -2.870
83 HB2 CYS 15 1HB CYS 15 1.447 -0.300 -0.687
84 HB3 CYS 15 2HB CYS 15 2.633 -1.568 -0.977
85 H LYS 16 H LYS 16 0.745 -1.713 -4.819
86 HA LYS 16 HA LYS 16 1.946 -4.263 -5.250
87 HB2 LYS 16 1HB LYS 16 1.056 -2.040 -7.070
88 HB3 LYS 16 2HB LYS 16 1.894 -3.452 -7.699
89 HG2 LYS 16 1HG LYS 16 0.154 -4.896 -7.097
90 HG3 LYS 16 2HG LYS 16 -0.572 -3.706 -6.013
91 HD2 LYS 16 1HD LYS 16 -1.972 -3.504 -7.811
92 HD3 LYS 16 2HD LYS 16 -0.753 -2.303 -8.245
93 HE2 LYS 16 1HE LYS 16 -1.194 -3.630 -10.180
94 HE3 LYS 16 2HE LYS 16 0.402 -4.073 -9.576
95 HZ1 LYS 16 3HZ LYS 16 -0.737 -5.960 -8.408
96 HZ2 LYS 16 1HZ LYS 16 -0.708 -6.070 -10.096
97 HZ3 LYS 16 2HZ LYS 16 -2.125 -5.596 -9.304
98 H GLU 17 H GLU 17 3.058 -0.932 -5.465
99 HA GLU 17 HA GLU 17 5.378 -1.098 -6.860
100 HB2 GLU 17 1HB GLU 17 4.702 0.421 -4.359
101 HB3 GLU 17 2HB GLU 17 6.303 0.549 -5.077
102 HG2 GLU 17 1HG GLU 17 3.675 1.288 -6.334
103 HG3 GLU 17 2HG GLU 17 4.981 2.370 -5.856
104 H CYS 18 H CYS 18 5.263 -1.569 -3.323
105 HA CYS 18 HA CYS 18 7.754 -3.101 -3.504
106 HB2 CYS 18 1HB CYS 18 7.828 -2.836 -1.034
107 HB3 CYS 18 2HB CYS 18 7.785 -1.297 -1.887
108 H GLY 19 H GLY 19 4.420 -3.342 -2.368
109 HA2 GLY 19 1HA GLY 19 3.273 -5.465 -2.646
110 HA3 GLY 19 2HA GLY 19 4.782 -6.268 -2.241
111 H LYS 20 H LYS 20 3.242 -3.533 -0.603
112 HA LYS 20 HA LYS 20 3.274 -5.101 1.874
113 HB2 LYS 20 1HB LYS 20 3.267 -2.163 1.269
114 HB3 LYS 20 2HB LYS 20 2.737 -2.737 2.845
115 HG2 LYS 20 1HG LYS 20 4.867 -3.706 3.294
116 HG3 LYS 20 2HG LYS 20 5.409 -3.414 1.639
117 HD2 LYS 20 1HD LYS 20 5.287 -1.008 2.012
118 HD3 LYS 20 2HD LYS 20 4.696 -1.280 3.653
119 HE2 LYS 20 1HE LYS 20 6.798 -2.446 4.187
120 HE3 LYS 20 2HE LYS 20 7.385 -2.105 2.560
121 HZ1 LYS 20 3HZ LYS 20 6.791 0.337 3.291
122 HZ2 LYS 20 1HZ LYS 20 8.285 -0.360 3.670
123 HZ3 LYS 20 2HZ LYS 20 7.060 -0.299 4.835
124 H SER 21 H SER 21 1.430 -4.285 3.444
125 HA SER 21 HA SER 21 -1.111 -4.277 1.956
126 HB2 SER 21 1HB SER 21 -0.405 -5.937 4.385
127 HB3 SER 21 2HB SER 21 -2.044 -5.750 3.762
128 HG SER 21 HG SER 21 -0.071 -6.535 1.959
129 H PHE 22 H PHE 22 -2.874 -3.256 2.985
130 HA PHE 22 HA PHE 22 -2.354 -1.797 5.454
131 HB2 PHE 22 1HB PHE 22 -3.124 -0.423 2.870
132 HB3 PHE 22 2HB PHE 22 -3.092 0.347 4.453
133 HD1 PHE 22 HD1 PHE 22 -0.981 0.833 5.558
134 HD2 PHE 22 HD2 PHE 22 -1.098 -0.918 1.680
135 HE1 PHE 22 HE1 PHE 22 1.392 1.395 5.237
136 HE2 PHE 22 HE2 PHE 22 1.276 -0.359 1.353
137 HZ PHE 22 HZ PHE 22 2.524 0.798 3.132
138 H ARG 23 H ARG 23 -4.146 -1.503 6.675
139 HA ARG 23 HA ARG 23 -6.499 -2.940 6.011
140 HB2 ARG 23 1HB ARG 23 -5.450 -2.285 8.341
141 HB3 ARG 23 2HB ARG 23 -6.486 -0.874 8.171
142 HG2 ARG 23 1HG ARG 23 -8.445 -2.207 8.120
143 HG3 ARG 23 2HG ARG 23 -7.505 -3.692 7.954
144 HD2 ARG 23 1HD ARG 23 -7.245 -1.885 10.341
145 HD3 ARG 23 2HD ARG 23 -8.458 -3.162 10.259
146 HE ARG 23 HE ARG 23 -5.642 -3.479 10.699
147 HH11 ARG 23 1HH1 ARG 23 -8.526 -5.011 9.492
148 HH12 ARG 23 2HH1 ARG 23 -7.939 -6.620 9.757
149 HH21 ARG 23 1HH2 ARG 23 -4.858 -5.592 11.052
150 HH22 ARG 23 2HH2 ARG 23 -5.853 -6.949 10.645
151 H TRP 24 H TRP 24 -5.810 0.537 6.291
152 HA TRP 24 HA TRP 24 -8.372 1.097 4.966
153 HB2 TRP 24 1HB TRP 24 -6.563 2.778 6.694
154 HB3 TRP 24 2HB TRP 24 -7.839 3.493 5.712
155 HD1 TRP 24 HD1 TRP 24 -7.281 2.322 9.096
156 HE1 TRP 24 HE1 TRP 24 -9.498 1.823 10.306
157 HE3 TRP 24 HE3 TRP 24 -10.412 2.254 5.056
158 HZ2 TRP 24 HZ2 TRP 24 -12.214 1.450 9.635
159 HZ3 TRP 24 HZ3 TRP 24 -12.806 1.818 5.426
160 HH2 TRP 24 HH2 TRP 24 -13.686 1.424 7.669
161 H ALA 25 H ALA 25 -8.284 3.114 3.525
162 HA ALA 25 HA ALA 25 -6.349 2.605 1.458
163 HB1 ALA 25 3HB ALA 25 -8.620 4.565 1.694
164 HB2 ALA 25 1HB ALA 25 -7.559 4.479 0.288
165 HB3 ALA 25 2HB ALA 25 -8.552 3.090 0.731
166 H SER 26 H SER 26 -7.235 5.532 3.302
167 HA SER 26 HA SER 26 -5.253 7.221 2.446
168 HB2 SER 26 1HB SER 26 -5.406 8.134 4.907
169 HB3 SER 26 2HB SER 26 -6.800 8.252 3.833
170 HG SER 26 HG SER 26 -6.595 6.968 6.168
171 H CYS 27 H CYS 27 -4.995 4.542 4.659
172 HA CYS 27 HA CYS 27 -2.493 5.203 5.797
173 HB2 CYS 27 1HB CYS 27 -4.295 3.368 6.427
174 HB3 CYS 27 2HB CYS 27 -3.286 2.350 5.407
175 HG CYS 27 HG CYS 27 -0.963 2.774 6.931
176 H LEU 28 H LEU 28 -3.422 3.418 2.905
177 HA LEU 28 HA LEU 28 -0.755 2.569 2.293
178 HB2 LEU 28 1HB LEU 28 -2.344 1.166 1.390
179 HB3 LEU 28 2HB LEU 28 -3.393 2.496 0.904
180 HG LEU 28 HG LEU 28 -1.864 3.019 -0.941
181 HD11 LEU 28 1HD1 LEU 28 -0.347 0.615 -1.025
182 HD12 LEU 28 2HD1 LEU 28 -0.074 1.399 0.530
183 HD13 LEU 28 3HD1 LEU 28 0.224 2.283 -0.966
184 HD21 LEU 28 3HD2 LEU 28 -2.857 0.179 -0.779
185 HD22 LEU 28 1HD2 LEU 28 -2.267 0.932 -2.261
186 HD23 LEU 28 2HD2 LEU 28 -3.695 1.578 -1.452
187 H LEU 29 H LEU 29 -2.878 5.184 1.224
188 HA LEU 29 HA LEU 29 -1.313 6.180 -0.860
189 HB2 LEU 29 1HB LEU 29 -3.483 7.022 -0.697
190 HB3 LEU 29 2HB LEU 29 -3.294 7.433 1.006
191 HG LEU 29 HG LEU 29 -1.623 9.200 0.206
192 HD11 LEU 29 1HD1 LEU 29 -1.600 8.112 -2.132
193 HD12 LEU 29 2HD1 LEU 29 -1.614 9.871 -2.015
194 HD13 LEU 29 3HD1 LEU 29 -3.101 9.001 -2.390
195 HD21 LEU 29 3HD2 LEU 29 -3.873 10.436 -0.809
196 HD22 LEU 29 1HD2 LEU 29 -3.395 10.368 0.888
197 HD23 LEU 29 2HD2 LEU 29 -4.528 9.180 0.243
198 H LYS 30 H LYS 30 -1.320 7.053 2.585
199 HA LYS 30 HA LYS 30 0.627 9.047 2.486
200 HB2 LYS 30 1HB LYS 30 -0.348 7.193 4.623
201 HB3 LYS 30 2HB LYS 30 1.068 8.189 4.932
202 HG2 LYS 30 1HG LYS 30 -1.372 9.501 3.857
203 HG3 LYS 30 2HG LYS 30 -1.354 9.005 5.551
204 HD2 LYS 30 1HD LYS 30 0.842 10.652 4.316
205 HD3 LYS 30 2HD LYS 30 -0.589 11.374 5.055
206 HE2 LYS 30 1HE LYS 30 1.319 9.495 6.443
207 HE3 LYS 30 2HE LYS 30 1.340 11.251 6.596
208 HZ1 LYS 30 3HZ LYS 30 -0.093 11.006 8.252
209 HZ2 LYS 30 1HZ LYS 30 -0.293 9.355 7.937
210 HZ3 LYS 30 2HZ LYS 30 -1.250 10.492 7.130
211 H HIS 31 H HIS 31 0.923 5.565 2.510
212 HA HIS 31 HA HIS 31 3.728 5.519 3.072
213 HB2 HIS 31 1HB HIS 31 2.775 3.498 3.625
214 HB3 HIS 31 2HB HIS 31 1.676 3.517 2.249
215 HD1 HIS 31 HD1 HIS 31 5.236 2.698 3.155
216 HD2 HIS 31 HD2 HIS 31 2.596 2.234 -0.019
217 HE1 HIS 31 HE1 HIS 31 6.380 1.135 1.552
218 H GLN 32 H GLN 32 1.753 5.585 0.171
219 HA GLN 32 HA GLN 32 3.538 4.844 -1.776
220 HB2 GLN 32 1HB GLN 32 1.415 6.983 -1.796
221 HB3 GLN 32 2HB GLN 32 2.325 6.548 -3.236
222 HG2 GLN 32 1HG GLN 32 1.433 4.366 -3.261
223 HG3 GLN 32 2HG GLN 32 0.782 4.535 -1.632
224 HE21 GLN 32 1HE2 GLN 32 -1.197 3.799 -2.693
225 HE22 GLN 32 2HE2 GLN 32 -2.213 4.967 -3.459
226 H ARG 33 H ARG 33 3.677 7.594 0.271
227 HA ARG 33 HA ARG 33 5.139 9.397 -1.275
228 HB2 ARG 33 1HB ARG 33 4.933 8.886 1.672
229 HB3 ARG 33 2HB ARG 33 6.102 10.052 1.066
230 HG2 ARG 33 1HG ARG 33 4.247 11.245 -0.068
231 HG3 ARG 33 2HG ARG 33 3.117 10.128 0.700
232 HD2 ARG 33 1HD ARG 33 3.070 11.872 2.189
233 HD3 ARG 33 2HD ARG 33 4.349 10.880 2.888
234 HE ARG 33 HE ARG 33 5.739 12.523 1.298
235 HH11 ARG 33 1HH1 ARG 33 3.221 13.138 3.623
236 HH12 ARG 33 2HH1 ARG 33 3.807 14.716 4.035
237 HH21 ARG 33 1HH2 ARG 33 6.521 14.598 1.833
238 HH22 ARG 33 2HH2 ARG 33 5.684 15.546 3.015
239 H VAL 34 H VAL 34 6.171 6.575 0.549
240 HA VAL 34 HA VAL 34 8.940 7.022 0.498
241 HB VAL 34 HB VAL 34 9.175 4.587 0.821
242 HG11 VAL 34 1HG1 VAL 34 8.768 5.928 2.765
243 HG12 VAL 34 2HG1 VAL 34 7.032 5.943 2.450
244 HG13 VAL 34 3HG1 VAL 34 7.832 4.441 2.913
245 HG21 VAL 34 3HG2 VAL 34 6.423 3.885 1.115
246 HG22 VAL 34 1HG2 VAL 34 6.689 4.511 -0.512
247 HG23 VAL 34 2HG2 VAL 34 7.648 3.154 0.079
248 H HIS 35 H HIS 35 6.737 5.879 -1.937
249 HA HIS 35 HA HIS 35 8.895 4.979 -3.673
250 HB2 HIS 35 1HB HIS 35 5.892 5.003 -4.014
251 HB3 HIS 35 2HB HIS 35 7.012 4.434 -5.249
252 HD1 HIS 35 HD1 HIS 35 8.699 2.438 -4.250
253 HD2 HIS 35 HD2 HIS 35 5.012 3.012 -2.423
254 HE1 HIS 35 HE1 HIS 35 8.229 0.307 -3.001
255 H SER 36 H SER 36 8.504 7.835 -2.865
256 HA SER 36 HA SER 36 8.309 9.934 -3.794
257 HB2 SER 36 1HB SER 36 10.006 8.471 -5.830
258 HB3 SER 36 2HB SER 36 9.874 10.225 -5.710
259 HG SER 36 HG SER 36 11.621 8.847 -4.504
260 H GLY 37 H GLY 37 6.023 8.418 -4.386
261 HA2 GLY 37 1HA GLY 37 5.168 8.089 -6.935
262 HA3 GLY 37 2HA GLY 37 4.135 8.755 -5.679
263 H GLU 38 H GLU 38 4.026 11.061 -5.439
264 HA GLU 38 HA GLU 38 3.993 12.404 -7.962
265 HB2 GLU 38 1HB GLU 38 3.174 14.336 -6.679
266 HB3 GLU 38 2HB GLU 38 2.289 12.870 -6.286
267 HG2 GLU 38 1HG GLU 38 3.109 12.769 -4.167
268 HG3 GLU 38 2HG GLU 38 4.617 13.575 -4.593
269 H LYS 39 H LYS 39 5.260 14.085 -8.690
270 HA LYS 39 HA LYS 39 7.616 14.792 -7.085
271 HB2 LYS 39 1HB LYS 39 7.536 13.574 -9.798
272 HB3 LYS 39 2HB LYS 39 8.736 14.826 -9.511
273 HG2 LYS 39 1HG LYS 39 9.264 13.390 -7.381
274 HG3 LYS 39 2HG LYS 39 8.510 12.107 -8.329
275 HD2 LYS 39 1HD LYS 39 10.115 12.994 -10.211
276 HD3 LYS 39 2HD LYS 39 11.030 13.621 -8.838
277 HE2 LYS 39 1HE LYS 39 10.124 10.761 -8.962
278 HE3 LYS 39 2HE LYS 39 11.628 11.289 -9.715
279 HZ1 LYS 39 3HZ LYS 39 11.345 10.516 -7.133
280 HZ2 LYS 39 1HZ LYS 39 11.339 12.203 -7.010
281 HZ3 LYS 39 2HZ LYS 39 12.639 11.414 -7.750
282 HA PRO 40 HA PRO 40 6.554 18.920 -8.182
283 HB2 PRO 40 1HB PRO 40 8.961 20.109 -7.773
284 HB3 PRO 40 2HB PRO 40 7.917 19.572 -6.451
285 HG2 PRO 40 1HG PRO 40 10.305 18.220 -7.649
286 HG3 PRO 40 2HG PRO 40 9.856 18.393 -5.942
287 HD2 PRO 40 1HD PRO 40 9.421 16.115 -7.339
288 HD3 PRO 40 2HD PRO 40 8.346 16.654 -6.033
289 H SER 41 H SER 41 8.467 16.939 -10.037
290 HA SER 41 HA SER 41 9.143 16.995 -12.210
291 HB2 SER 41 1HB SER 41 6.904 18.075 -12.551
292 HB3 SER 41 2HB SER 41 7.691 19.645 -12.387
293 HG SER 41 HG SER 41 8.293 17.672 -14.339
294 H GLY 42 H GLY 42 10.729 18.191 -10.060
295 HA2 GLY 42 1HA GLY 42 12.728 19.429 -11.703
296 HA3 GLY 42 2HA GLY 42 11.967 20.571 -10.605
297 HA PRO 43 HA PRO 43 14.237 17.249 -7.891
298 HB2 PRO 43 1HB PRO 43 16.032 15.690 -9.202
299 HB3 PRO 43 2HB PRO 43 14.339 15.230 -8.982
300 HG2 PRO 43 1HG PRO 43 15.679 16.441 -11.370
301 HG3 PRO 43 2HG PRO 43 14.490 15.127 -11.301
302 HD2 PRO 43 1HD PRO 43 13.816 17.668 -11.946
303 HD3 PRO 43 2HD PRO 43 12.713 16.577 -11.084
304 H SER 44 H SER 44 15.353 19.444 -10.121
305 HA SER 44 HA SER 44 17.035 20.986 -10.033
306 HB2 SER 44 1HB SER 44 16.706 20.517 -7.454
307 HB3 SER 44 2HB SER 44 18.268 19.716 -7.620
308 HG SER 44 HG SER 44 17.741 22.331 -7.452
309 H SER 45 H SER 45 17.272 18.648 -11.562
310 HA SER 45 HA SER 45 20.148 18.044 -11.369
311 HB2 SER 45 1HB SER 45 18.674 16.072 -11.162
312 HB3 SER 45 2HB SER 45 17.972 16.442 -12.737
313 HG SER 45 HG SER 45 19.928 16.012 -13.697
314 H GLY 46 H GLY 46 19.264 20.450 -12.536
315 HA2 GLY 46 1HA GLY 46 20.241 21.556 -14.397
316 HA3 GLY 46 2HA GLY 46 20.246 20.029 -15.267
Start of MODEL 5
1 H1 GLY 1 1H GLY 1 8.539 -10.803 10.267
2 HA2 GLY 1 1HA GLY 1 8.286 -12.789 12.020
3 HA3 GLY 1 2HA GLY 1 7.462 -12.862 10.470
4 H SER 2 H SER 2 10.919 -13.166 11.210
5 HA SER 2 HA SER 2 11.265 -15.357 9.460
6 HB2 SER 2 1HB SER 2 13.524 -15.421 10.223
7 HB3 SER 2 2HB SER 2 13.049 -13.722 10.236
8 HG SER 2 HG SER 2 13.908 -15.237 12.268
9 H SER 3 H SER 3 12.164 -17.491 10.155
10 HA SER 3 HA SER 3 11.589 -19.528 11.044
11 HB2 SER 3 1HB SER 3 12.077 -19.667 13.487
12 HB3 SER 3 2HB SER 3 13.335 -18.832 12.575
13 HG SER 3 HG SER 3 11.438 -17.793 14.365
14 H GLY 4 H GLY 4 9.294 -18.108 10.388
15 HA2 GLY 4 1HA GLY 4 7.330 -19.480 11.856
16 HA3 GLY 4 2HA GLY 4 7.416 -17.831 12.457
17 H SER 5 H SER 5 5.369 -17.271 11.738
18 HA SER 5 HA SER 5 5.210 -16.732 8.870
19 HB2 SER 5 1HB SER 5 2.856 -17.550 8.803
20 HB3 SER 5 2HB SER 5 4.025 -18.838 9.095
21 HG SER 5 HG SER 5 3.382 -18.975 11.166
22 H SER 6 H SER 6 3.025 -15.460 8.486
23 HA SER 6 HA SER 6 1.988 -13.883 10.585
24 HB2 SER 6 1HB SER 6 3.012 -11.707 9.973
25 HB3 SER 6 2HB SER 6 4.198 -12.851 10.600
26 HG SER 6 HG SER 6 3.702 -12.382 7.845
27 H GLY 7 H GLY 7 0.084 -13.086 9.940
28 HA2 GLY 7 1HA GLY 7 -0.805 -11.679 7.924
29 HA3 GLY 7 2HA GLY 7 -0.527 -13.191 7.073
30 H THR 8 H THR 8 -2.493 -11.534 9.423
31 HA THR 8 HA THR 8 -4.384 -13.795 9.382
32 HB THR 8 HB THR 8 -5.251 -13.021 11.528
33 HG1 THR 8 HG1 THR 8 -4.875 -10.999 12.009
34 HG21 THR 8 3HG2 THR 8 -2.495 -13.015 12.373
35 HG22 THR 8 1HG2 THR 8 -2.749 -14.202 11.095
36 HG23 THR 8 2HG2 THR 8 -3.720 -14.268 12.565
37 H GLY 9 H GLY 9 -5.648 -13.216 7.655
38 HA2 GLY 9 1HA GLY 9 -7.696 -12.218 7.009
39 HA3 GLY 9 2HA GLY 9 -7.349 -10.871 8.083
40 H GLU 10 H GLU 10 -7.464 -11.853 4.906
41 HA GLU 10 HA GLU 10 -5.318 -10.424 3.762
42 HB2 GLU 10 1HB GLU 10 -6.435 -12.102 2.463
43 HB3 GLU 10 2HB GLU 10 -7.982 -11.285 2.635
44 HG2 GLU 10 1HG GLU 10 -7.217 -10.858 0.444
45 HG3 GLU 10 2HG GLU 10 -7.005 -9.365 1.357
46 H LYS 11 H LYS 11 -5.052 -8.332 3.264
47 HA LYS 11 HA LYS 11 -7.103 -6.456 4.130
48 HB2 LYS 11 1HB LYS 11 -4.194 -6.240 3.441
49 HB3 LYS 11 2HB LYS 11 -5.196 -4.795 3.452
50 HG2 LYS 11 1HG LYS 11 -5.500 -4.851 5.720
51 HG3 LYS 11 2HG LYS 11 -5.265 -6.598 5.818
52 HD2 LYS 11 1HD LYS 11 -2.857 -6.235 5.283
53 HD3 LYS 11 2HD LYS 11 -3.145 -4.497 5.379
54 HE2 LYS 11 1HE LYS 11 -4.164 -5.163 7.727
55 HE3 LYS 11 2HE LYS 11 -3.085 -6.544 7.537
56 HZ1 LYS 11 3HZ LYS 11 -1.227 -5.211 7.585
57 HZ2 LYS 11 1HZ LYS 11 -2.233 -4.413 8.687
58 HZ3 LYS 11 2HZ LYS 11 -2.062 -3.818 7.113
59 HA PRO 12 HA PRO 12 -8.604 -5.592 0.083
60 HB2 PRO 12 1HB PRO 12 -9.581 -3.095 0.506
61 HB3 PRO 12 2HB PRO 12 -10.370 -4.553 1.122
62 HG2 PRO 12 1HG PRO 12 -8.570 -2.629 2.544
63 HG3 PRO 12 2HG PRO 12 -10.072 -3.383 3.109
64 HD2 PRO 12 1HD PRO 12 -7.625 -4.282 3.841
65 HD3 PRO 12 2HD PRO 12 -9.022 -5.361 3.652
66 H TYR 13 H TYR 13 -6.411 -3.357 1.675
67 HA TYR 13 HA TYR 13 -5.673 -2.206 -0.925
68 HB2 TYR 13 1HB TYR 13 -4.880 -1.246 1.830
69 HB3 TYR 13 2HB TYR 13 -4.648 -0.397 0.306
70 HD1 TYR 13 HD2 TYR 13 -6.554 0.637 -0.843
71 HD2 TYR 13 HD1 TYR 13 -7.020 -1.265 2.935
72 HE1 TYR 13 HE2 TYR 13 -8.731 1.746 -0.560
73 HE2 TYR 13 HE1 TYR 13 -9.199 -0.162 3.227
74 HH TYR 13 HH TYR 13 -10.183 2.357 1.872
75 H ASN 14 H ASN 14 -3.663 -2.431 -1.769
76 HA ASN 14 HA ASN 14 -1.540 -3.620 -0.169
77 HB2 ASN 14 1HB ASN 14 -2.773 -5.533 -1.163
78 HB3 ASN 14 2HB ASN 14 -2.461 -4.873 -2.766
79 HD21 ASN 14 1HD2 ASN 14 -1.532 -7.211 -0.804
80 HD22 ASN 14 2HD2 ASN 14 0.138 -7.356 -1.224
81 H CYS 15 H CYS 15 0.475 -3.002 -0.793
82 HA CYS 15 HA CYS 15 0.616 -0.981 -2.888
83 HB2 CYS 15 1HB CYS 15 1.594 -0.606 -0.598
84 HB3 CYS 15 2HB CYS 15 2.790 -1.842 -0.974
85 H LYS 16 H LYS 16 0.832 -1.844 -4.866
86 HA LYS 16 HA LYS 16 2.158 -4.277 -5.433
87 HB2 LYS 16 1HB LYS 16 1.769 -3.789 -7.723
88 HB3 LYS 16 2HB LYS 16 0.387 -3.147 -6.845
89 HG2 LYS 16 1HG LYS 16 2.666 -1.322 -7.385
90 HG3 LYS 16 2HG LYS 16 1.608 -1.763 -8.728
91 HD2 LYS 16 1HD LYS 16 -0.335 -1.073 -7.291
92 HD3 LYS 16 2HD LYS 16 0.837 -0.432 -6.136
93 HE2 LYS 16 1HE LYS 16 1.478 1.278 -7.531
94 HE3 LYS 16 2HE LYS 16 1.029 0.398 -8.991
95 HZ1 LYS 16 3HZ LYS 16 -1.299 0.751 -8.442
96 HZ2 LYS 16 1HZ LYS 16 -0.484 2.228 -8.566
97 HZ3 LYS 16 2HZ LYS 16 -0.865 1.598 -7.044
98 H GLU 17 H GLU 17 3.227 -0.966 -5.234
99 HA GLU 17 HA GLU 17 5.571 -1.034 -6.702
100 HB2 GLU 17 1HB GLU 17 4.793 0.453 -4.209
101 HB3 GLU 17 2HB GLU 17 6.395 0.640 -4.907
102 HG2 GLU 17 1HG GLU 17 3.847 1.115 -6.430
103 HG3 GLU 17 2HG GLU 17 4.736 2.377 -5.578
104 H CYS 18 H CYS 18 5.246 -1.670 -3.205
105 HA CYS 18 HA CYS 18 7.814 -3.097 -3.301
106 HB2 CYS 18 1HB CYS 18 7.905 -2.786 -0.878
107 HB3 CYS 18 2HB CYS 18 7.678 -1.240 -1.690
108 H GLY 19 H GLY 19 4.479 -3.366 -2.129
109 HA2 GLY 19 1HA GLY 19 3.377 -5.530 -2.505
110 HA3 GLY 19 2HA GLY 19 4.878 -6.292 -2.000
111 H LYS 20 H LYS 20 3.530 -3.492 -0.393
112 HA LYS 20 HA LYS 20 3.364 -5.019 2.076
113 HB2 LYS 20 1HB LYS 20 3.397 -2.124 1.358
114 HB3 LYS 20 2HB LYS 20 2.651 -2.590 2.881
115 HG2 LYS 20 1HG LYS 20 4.853 -3.886 3.285
116 HG3 LYS 20 2HG LYS 20 5.501 -2.839 2.020
117 HD2 LYS 20 1HD LYS 20 5.123 -0.897 3.279
118 HD3 LYS 20 2HD LYS 20 4.012 -1.721 4.377
119 HE2 LYS 20 1HE LYS 20 6.907 -2.494 4.176
120 HE3 LYS 20 2HE LYS 20 6.367 -1.190 5.233
121 HZ1 LYS 20 3HZ LYS 20 5.476 -4.021 5.344
122 HZ2 LYS 20 1HZ LYS 20 4.873 -2.778 6.320
123 HZ3 LYS 20 2HZ LYS 20 6.492 -3.246 6.452
124 H SER 21 H SER 21 1.422 -4.037 3.534
125 HA SER 21 HA SER 21 -1.058 -4.124 1.972
126 HB2 SER 21 1HB SER 21 -2.049 -5.753 3.515
127 HB3 SER 21 2HB SER 21 -0.616 -6.427 2.738
128 HG SER 21 HG SER 21 -0.436 -6.882 4.889
129 H PHE 22 H PHE 22 -2.884 -3.220 3.031
130 HA PHE 22 HA PHE 22 -2.433 -1.858 5.568
131 HB2 PHE 22 1HB PHE 22 -3.247 -0.393 3.048
132 HB3 PHE 22 2HB PHE 22 -3.217 0.304 4.665
133 HD1 PHE 22 HD1 PHE 22 -1.049 0.605 5.833
134 HD2 PHE 22 HD2 PHE 22 -1.281 -0.595 1.756
135 HE1 PHE 22 HE1 PHE 22 1.307 1.241 5.515
136 HE2 PHE 22 HE2 PHE 22 1.074 0.038 1.431
137 HZ PHE 22 HZ PHE 22 2.372 0.956 3.312
138 H ARG 23 H ARG 23 -4.333 -1.293 6.667
139 HA ARG 23 HA ARG 23 -6.606 -2.918 5.997
140 HB2 ARG 23 1HB ARG 23 -6.234 -0.903 8.222
141 HB3 ARG 23 2HB ARG 23 -7.560 -2.050 8.093
142 HG2 ARG 23 1HG ARG 23 -5.630 -3.815 8.029
143 HG3 ARG 23 2HG ARG 23 -4.708 -2.521 8.798
144 HD2 ARG 23 1HD ARG 23 -7.372 -3.507 9.800
145 HD3 ARG 23 2HD ARG 23 -5.823 -4.119 10.378
146 HE ARG 23 HE ARG 23 -5.589 -1.453 10.732
147 HH11 ARG 23 1HH1 ARG 23 -8.023 -3.769 11.645
148 HH12 ARG 23 2HH1 ARG 23 -8.496 -2.905 13.071
149 HH21 ARG 23 1HH2 ARG 23 -6.202 -0.307 12.607
150 HH22 ARG 23 2HH2 ARG 23 -7.459 -0.936 13.617
151 H TRP 24 H TRP 24 -5.925 0.556 6.163
152 HA TRP 24 HA TRP 24 -8.497 1.061 4.821
153 HB2 TRP 24 1HB TRP 24 -6.828 2.704 6.696
154 HB3 TRP 24 2HB TRP 24 -7.941 3.496 5.584
155 HD1 TRP 24 HD1 TRP 24 -7.914 2.605 9.002
156 HE1 TRP 24 HE1 TRP 24 -10.257 2.065 9.922
157 HE3 TRP 24 HE3 TRP 24 -10.383 1.907 4.580
158 HZ2 TRP 24 HZ2 TRP 24 -12.812 1.427 8.908
159 HZ3 TRP 24 HZ3 TRP 24 -12.775 1.334 4.642
160 HH2 TRP 24 HH2 TRP 24 -13.963 1.099 6.763
161 H ALA 25 H ALA 25 -8.378 3.156 3.442
162 HA ALA 25 HA ALA 25 -6.478 2.665 1.360
163 HB1 ALA 25 3HB ALA 25 -8.968 3.941 1.571
164 HB2 ALA 25 1HB ALA 25 -7.825 5.175 1.039
165 HB3 ALA 25 2HB ALA 25 -8.006 3.683 0.115
166 H SER 26 H SER 26 -7.099 5.480 3.463
167 HA SER 26 HA SER 26 -5.106 7.161 2.676
168 HB2 SER 26 1HB SER 26 -5.087 8.050 4.983
169 HB3 SER 26 2HB SER 26 -6.729 7.753 4.410
170 HG SER 26 HG SER 26 -5.422 6.669 6.519
171 H CYS 27 H CYS 27 -4.774 4.618 5.150
172 HA CYS 27 HA CYS 27 -2.178 4.908 5.892
173 HB2 CYS 27 1HB CYS 27 -3.681 2.346 5.339
174 HB3 CYS 27 2HB CYS 27 -2.116 2.398 6.141
175 HG CYS 27 HG CYS 27 -4.576 2.116 7.805
176 H LEU 28 H LEU 28 -3.303 3.137 3.021
177 HA LEU 28 HA LEU 28 -0.760 2.381 2.094
178 HB2 LEU 28 1HB LEU 28 -2.582 1.234 1.183
179 HB3 LEU 28 2HB LEU 28 -3.428 2.725 0.773
180 HG LEU 28 HG LEU 28 -1.857 3.136 -1.042
181 HD11 LEU 28 1HD1 LEU 28 0.108 2.114 -1.248
182 HD12 LEU 28 2HD1 LEU 28 -0.617 0.517 -1.065
183 HD13 LEU 28 3HD1 LEU 28 -0.172 1.452 0.362
184 HD21 LEU 28 3HD2 LEU 28 -3.390 0.592 -0.894
185 HD22 LEU 28 1HD2 LEU 28 -2.353 0.866 -2.294
186 HD23 LEU 28 2HD2 LEU 28 -3.642 2.009 -1.915
187 H LEU 29 H LEU 29 -2.804 5.170 1.282
188 HA LEU 29 HA LEU 29 -1.198 6.316 -0.673
189 HB2 LEU 29 1HB LEU 29 -3.325 7.230 -0.424
190 HB3 LEU 29 2HB LEU 29 -3.131 7.446 1.314
191 HG LEU 29 HG LEU 29 -1.440 9.246 0.775
192 HD11 LEU 29 1HD1 LEU 29 -1.336 10.169 -1.389
193 HD12 LEU 29 2HD1 LEU 29 -2.695 9.199 -1.955
194 HD13 LEU 29 3HD1 LEU 29 -1.148 8.429 -1.604
195 HD21 LEU 29 3HD2 LEU 29 -3.702 9.755 1.519
196 HD22 LEU 29 1HD2 LEU 29 -4.287 9.642 -0.141
197 HD23 LEU 29 2HD2 LEU 29 -3.162 10.923 0.312
198 H LYS 30 H LYS 30 -1.210 6.965 2.828
199 HA LYS 30 HA LYS 30 0.806 8.852 2.930
200 HB2 LYS 30 1HB LYS 30 -0.267 6.838 4.840
201 HB3 LYS 30 2HB LYS 30 1.265 7.601 5.247
202 HG2 LYS 30 1HG LYS 30 -0.264 8.972 6.288
203 HG3 LYS 30 2HG LYS 30 0.012 9.814 4.762
204 HD2 LYS 30 1HD LYS 30 -2.055 9.244 3.919
205 HD3 LYS 30 2HD LYS 30 -2.193 7.811 4.941
206 HE2 LYS 30 1HE LYS 30 -2.258 10.620 6.023
207 HE3 LYS 30 2HE LYS 30 -3.708 9.745 5.531
208 HZ1 LYS 30 3HZ LYS 30 -3.333 8.115 7.188
209 HZ2 LYS 30 1HZ LYS 30 -3.165 9.618 7.947
210 HZ3 LYS 30 2HZ LYS 30 -1.792 8.715 7.546
211 H HIS 31 H HIS 31 1.037 5.375 2.592
212 HA HIS 31 HA HIS 31 3.883 5.297 3.016
213 HB2 HIS 31 1HB HIS 31 2.773 3.305 3.605
214 HB3 HIS 31 2HB HIS 31 1.841 3.279 2.111
215 HD1 HIS 31 HD1 HIS 31 5.464 2.912 3.208
216 HD2 HIS 31 HD2 HIS 31 2.878 1.648 0.212
217 HE1 HIS 31 HE1 HIS 31 6.782 1.275 1.829
218 H GLN 32 H GLN 32 1.706 5.166 0.227
219 HA GLN 32 HA GLN 32 3.436 4.595 -1.810
220 HB2 GLN 32 1HB GLN 32 1.158 6.575 -1.768
221 HB3 GLN 32 2HB GLN 32 1.985 6.080 -3.239
222 HG2 GLN 32 1HG GLN 32 1.381 3.679 -2.445
223 HG3 GLN 32 2HG GLN 32 0.176 4.511 -1.464
224 HE21 GLN 32 1HE2 GLN 32 -1.655 5.201 -2.393
225 HE22 GLN 32 2HE2 GLN 32 -2.012 5.075 -4.079
226 H ARG 33 H ARG 33 3.353 7.436 0.147
227 HA ARG 33 HA ARG 33 4.513 9.364 -1.431
228 HB2 ARG 33 1HB ARG 33 4.647 8.741 1.485
229 HB3 ARG 33 2HB ARG 33 5.732 9.966 0.841
230 HG2 ARG 33 1HG ARG 33 3.710 11.104 -0.121
231 HG3 ARG 33 2HG ARG 33 2.727 9.968 0.806
232 HD2 ARG 33 1HD ARG 33 2.862 11.842 2.186
233 HD3 ARG 33 2HD ARG 33 4.089 10.754 2.833
234 HE ARG 33 HE ARG 33 5.178 12.542 0.902
235 HH11 ARG 33 1HH1 ARG 33 4.141 12.307 4.217
236 HH12 ARG 33 2HH1 ARG 33 5.187 13.572 4.770
237 HH21 ARG 33 1HH2 ARG 33 6.560 14.209 1.618
238 HH22 ARG 33 2HH2 ARG 33 6.562 14.654 3.291
239 H VAL 34 H VAL 34 6.148 6.793 0.391
240 HA VAL 34 HA VAL 34 8.783 7.527 -0.221
241 HB VAL 34 HB VAL 34 9.440 5.315 0.437
242 HG11 VAL 34 1HG1 VAL 34 7.741 5.072 2.489
243 HG12 VAL 34 2HG1 VAL 34 8.980 6.327 2.412
244 HG13 VAL 34 3HG1 VAL 34 7.316 6.700 1.959
245 HG21 VAL 34 3HG2 VAL 34 6.797 4.613 -0.570
246 HG22 VAL 34 1HG2 VAL 34 8.245 3.621 -0.399
247 HG23 VAL 34 2HG2 VAL 34 7.170 3.858 0.979
248 H HIS 35 H HIS 35 6.382 5.778 -2.052
249 HA HIS 35 HA HIS 35 8.306 4.934 -4.059
250 HB2 HIS 35 1HB HIS 35 5.308 4.600 -3.863
251 HB3 HIS 35 2HB HIS 35 6.282 3.982 -5.194
252 HD1 HIS 35 HD1 HIS 35 8.443 2.442 -4.117
253 HD2 HIS 35 HD2 HIS 35 4.834 2.653 -2.069
254 HE1 HIS 35 HE1 HIS 35 8.415 0.439 -2.598
255 H SER 36 H SER 36 6.258 7.591 -3.432
256 HA SER 36 HA SER 36 6.682 8.572 -6.178
257 HB2 SER 36 1HB SER 36 4.542 9.791 -6.001
258 HB3 SER 36 2HB SER 36 4.310 8.050 -5.851
259 HG SER 36 HG SER 36 4.619 8.716 -3.436
260 H GLY 37 H GLY 37 8.559 9.684 -5.591
261 HA2 GLY 37 1HA GLY 37 8.043 12.122 -4.022
262 HA3 GLY 37 2HA GLY 37 9.457 11.141 -3.663
263 H GLU 38 H GLU 38 11.074 12.495 -4.239
264 HA GLU 38 HA GLU 38 11.025 13.571 -6.979
265 HB2 GLU 38 1HB GLU 38 12.610 15.258 -6.222
266 HB3 GLU 38 2HB GLU 38 11.170 15.276 -5.213
267 HG2 GLU 38 1HG GLU 38 12.271 14.454 -3.380
268 HG3 GLU 38 2HG GLU 38 13.513 13.660 -4.346
269 H LYS 39 H LYS 39 11.697 10.905 -6.638
270 HA LYS 39 HA LYS 39 14.526 10.956 -7.416
271 HB2 LYS 39 1HB LYS 39 13.242 9.096 -5.421
272 HB3 LYS 39 2HB LYS 39 14.753 8.708 -6.234
273 HG2 LYS 39 1HG LYS 39 15.929 10.348 -5.125
274 HG3 LYS 39 2HG LYS 39 14.483 11.300 -4.782
275 HD2 LYS 39 1HD LYS 39 13.790 9.795 -3.083
276 HD3 LYS 39 2HD LYS 39 14.988 8.592 -3.566
277 HE2 LYS 39 1HE LYS 39 15.759 11.327 -2.585
278 HE3 LYS 39 2HE LYS 39 15.498 9.973 -1.487
279 HZ1 LYS 39 3HZ LYS 39 17.306 8.827 -2.344
280 HZ2 LYS 39 1HZ LYS 39 17.859 10.426 -2.314
281 HZ3 LYS 39 2HZ LYS 39 17.351 9.734 -3.771
282 HA PRO 40 HA PRO 40 13.193 8.562 -10.852
283 HB2 PRO 40 1HB PRO 40 15.493 7.244 -11.437
284 HB3 PRO 40 2HB PRO 40 15.264 8.966 -11.762
285 HG2 PRO 40 1HG PRO 40 16.672 7.640 -9.477
286 HG3 PRO 40 2HG PRO 40 17.165 9.055 -10.426
287 HD2 PRO 40 1HD PRO 40 16.029 9.268 -7.978
288 HD3 PRO 40 2HD PRO 40 15.787 10.481 -9.251
289 H SER 41 H SER 41 11.733 7.022 -10.303
290 HA SER 41 HA SER 41 11.830 5.015 -8.497
291 HB2 SER 41 1HB SER 41 10.693 4.614 -11.270
292 HB3 SER 41 2HB SER 41 10.163 3.845 -9.774
293 HG SER 41 HG SER 41 9.888 6.263 -9.167
294 H GLY 42 H GLY 42 12.228 2.704 -8.645
295 HA2 GLY 42 1HA GLY 42 14.694 2.179 -10.141
296 HA3 GLY 42 2HA GLY 42 14.104 1.256 -8.767
297 HA PRO 43 HA PRO 43 12.694 -1.795 -11.595
298 HB2 PRO 43 1HB PRO 43 10.839 -3.017 -10.034
299 HB3 PRO 43 2HB PRO 43 12.578 -3.207 -9.786
300 HG2 PRO 43 1HG PRO 43 10.644 -1.427 -8.354
301 HG3 PRO 43 2HG PRO 43 11.953 -2.421 -7.689
302 HD2 PRO 43 1HD PRO 43 12.202 0.248 -8.076
303 HD3 PRO 43 2HD PRO 43 13.572 -0.871 -8.226
304 H SER 44 H SER 44 11.517 -1.194 -13.307
305 HA SER 44 HA SER 44 8.821 -0.103 -12.857
306 HB2 SER 44 1HB SER 44 10.892 0.354 -14.957
307 HB3 SER 44 2HB SER 44 9.196 0.482 -15.424
308 HG SER 44 HG SER 44 9.242 2.384 -14.558
309 H SER 45 H SER 45 7.704 -2.036 -12.655
310 HA SER 45 HA SER 45 7.218 -3.422 -15.169
311 HB2 SER 45 1HB SER 45 9.033 -4.608 -13.678
312 HB3 SER 45 2HB SER 45 7.632 -5.139 -12.749
313 HG SER 45 HG SER 45 8.251 -5.660 -15.457
314 H GLY 46 H GLY 46 5.176 -4.338 -15.326
315 HA2 GLY 46 1HA GLY 46 3.025 -4.919 -14.643
316 HA3 GLY 46 2HA GLY 46 3.438 -4.424 -13.008
Start of MODEL 6
1 H1 GLY 1 1H GLY 1 6.555 -25.905 1.628
2 HA2 GLY 1 1HA GLY 1 5.614 -28.668 1.698
3 HA3 GLY 1 2HA GLY 1 7.269 -28.386 2.218
4 H SER 2 H SER 2 7.638 -27.756 4.263
5 HA SER 2 HA SER 2 5.397 -27.675 6.074
6 HB2 SER 2 1HB SER 2 7.035 -27.699 7.836
7 HB3 SER 2 2HB SER 2 7.571 -28.829 6.593
8 HG SER 2 HG SER 2 8.700 -26.707 5.836
9 H SER 3 H SER 3 5.242 -25.550 4.319
10 HA SER 3 HA SER 3 5.553 -23.294 6.164
11 HB2 SER 3 1HB SER 3 6.545 -23.417 3.320
12 HB3 SER 3 2HB SER 3 6.178 -21.883 4.108
13 HG SER 3 HG SER 3 8.219 -23.720 4.633
14 H GLY 4 H GLY 4 4.242 -21.386 5.470
15 HA2 GLY 4 1HA GLY 4 2.430 -20.549 4.086
16 HA3 GLY 4 2HA GLY 4 1.879 -22.208 3.905
17 H SER 5 H SER 5 0.925 -19.470 5.177
18 HA SER 5 HA SER 5 -0.234 -20.744 7.569
19 HB2 SER 5 1HB SER 5 0.851 -17.971 7.179
20 HB3 SER 5 2HB SER 5 -0.405 -18.269 8.381
21 HG SER 5 HG SER 5 1.223 -20.116 8.916
22 H SER 6 H SER 6 -2.323 -21.110 7.288
23 HA SER 6 HA SER 6 -3.842 -19.580 5.343
24 HB2 SER 6 1HB SER 6 -4.148 -21.990 5.355
25 HB3 SER 6 2HB SER 6 -4.597 -21.957 7.060
26 HG SER 6 HG SER 6 -6.066 -20.347 5.330
27 H GLY 7 H GLY 7 -4.918 -17.805 5.871
28 HA2 GLY 7 1HA GLY 7 -6.197 -16.307 7.056
29 HA3 GLY 7 2HA GLY 7 -6.633 -17.635 8.121
30 H THR 8 H THR 8 -4.230 -15.140 7.495
31 HA THR 8 HA THR 8 -3.474 -15.272 10.340
32 HB THR 8 HB THR 8 -1.589 -16.082 9.076
33 HG1 THR 8 HG1 THR 8 -0.910 -13.389 9.604
34 HG21 THR 8 3HG2 THR 8 -0.495 -14.610 7.377
35 HG22 THR 8 1HG2 THR 8 -1.912 -13.563 7.444
36 HG23 THR 8 2HG2 THR 8 -2.071 -15.228 6.884
37 H GLY 9 H GLY 9 -4.398 -13.348 7.624
38 HA2 GLY 9 1HA GLY 9 -5.463 -11.223 8.844
39 HA3 GLY 9 2HA GLY 9 -3.752 -10.833 8.936
40 H GLU 10 H GLU 10 -6.493 -11.270 6.814
41 HA GLU 10 HA GLU 10 -4.971 -10.509 4.462
42 HB2 GLU 10 1HB GLU 10 -6.862 -12.208 4.463
43 HB3 GLU 10 2HB GLU 10 -7.961 -10.850 4.664
44 HG2 GLU 10 1HG GLU 10 -8.019 -11.106 2.401
45 HG3 GLU 10 2HG GLU 10 -6.721 -9.923 2.557
46 H LYS 11 H LYS 11 -5.429 -8.654 3.191
47 HA LYS 11 HA LYS 11 -6.943 -6.517 4.504
48 HB2 LYS 11 1HB LYS 11 -4.057 -6.382 3.647
49 HB3 LYS 11 2HB LYS 11 -5.042 -4.938 3.835
50 HG2 LYS 11 1HG LYS 11 -5.397 -5.437 6.171
51 HG3 LYS 11 2HG LYS 11 -4.517 -6.958 6.006
52 HD2 LYS 11 1HD LYS 11 -2.466 -5.842 5.638
53 HD3 LYS 11 2HD LYS 11 -3.270 -4.292 5.379
54 HE2 LYS 11 1HE LYS 11 -4.115 -4.621 7.812
55 HE3 LYS 11 2HE LYS 11 -2.791 -5.779 7.933
56 HZ1 LYS 11 3HZ LYS 11 -2.506 -2.927 7.152
57 HZ2 LYS 11 1HZ LYS 11 -1.244 -4.042 7.319
58 HZ3 LYS 11 2HZ LYS 11 -2.137 -3.566 8.674
59 HA PRO 12 HA PRO 12 -8.466 -5.826 0.432
60 HB2 PRO 12 1HB PRO 12 -9.331 -3.269 0.721
61 HB3 PRO 12 2HB PRO 12 -10.171 -4.653 1.430
62 HG2 PRO 12 1HG PRO 12 -8.271 -2.729 2.715
63 HG3 PRO 12 2HG PRO 12 -9.795 -3.384 3.342
64 HD2 PRO 12 1HD PRO 12 -7.377 -4.343 4.095
65 HD3 PRO 12 2HD PRO 12 -8.821 -5.371 3.987
66 H TYR 13 H TYR 13 -6.450 -3.248 1.829
67 HA TYR 13 HA TYR 13 -5.611 -2.408 -0.830
68 HB2 TYR 13 1HB TYR 13 -4.687 -1.294 1.819
69 HB3 TYR 13 2HB TYR 13 -4.595 -0.525 0.238
70 HD1 TYR 13 HD2 TYR 13 -6.602 0.425 -0.800
71 HD2 TYR 13 HD1 TYR 13 -6.735 -1.289 3.092
72 HE1 TYR 13 HE2 TYR 13 -8.769 1.518 -0.399
73 HE2 TYR 13 HE1 TYR 13 -8.902 -0.202 3.503
74 HH TYR 13 HH TYR 13 -10.848 0.933 1.242
75 H ASN 14 H ASN 14 -3.695 -2.867 -1.736
76 HA ASN 14 HA ASN 14 -1.527 -3.927 -0.092
77 HB2 ASN 14 1HB ASN 14 -1.230 -5.708 -1.987
78 HB3 ASN 14 2HB ASN 14 -2.383 -6.000 -0.688
79 HD21 ASN 14 1HD2 ASN 14 -3.859 -7.218 -1.697
80 HD22 ASN 14 2HD2 ASN 14 -4.767 -6.721 -3.081
81 H CYS 15 H CYS 15 0.146 -2.669 -0.550
82 HA CYS 15 HA CYS 15 0.351 -1.102 -2.898
83 HB2 CYS 15 1HB CYS 15 1.384 -0.583 -0.650
84 HB3 CYS 15 2HB CYS 15 2.602 -1.802 -1.010
85 H LYS 16 H LYS 16 0.960 -1.700 -4.859
86 HA LYS 16 HA LYS 16 2.167 -4.287 -5.302
87 HB2 LYS 16 1HB LYS 16 1.799 -3.881 -7.634
88 HB3 LYS 16 2HB LYS 16 0.368 -3.341 -6.765
89 HG2 LYS 16 1HG LYS 16 0.805 -1.111 -7.160
90 HG3 LYS 16 2HG LYS 16 2.528 -1.389 -7.425
91 HD2 LYS 16 1HD LYS 16 1.863 -1.078 -9.587
92 HD3 LYS 16 2HD LYS 16 1.607 -2.820 -9.457
93 HE2 LYS 16 1HE LYS 16 -0.725 -2.540 -9.134
94 HE3 LYS 16 2HE LYS 16 -0.552 -0.803 -8.883
95 HZ1 LYS 16 3HZ LYS 16 -0.870 -0.514 -11.040
96 HZ2 LYS 16 1HZ LYS 16 -0.982 -2.183 -11.288
97 HZ3 LYS 16 2HZ LYS 16 0.521 -1.413 -11.385
98 H GLU 17 H GLU 17 3.144 -0.936 -5.312
99 HA GLU 17 HA GLU 17 5.452 -0.950 -6.787
100 HB2 GLU 17 1HB GLU 17 4.667 0.496 -4.284
101 HB3 GLU 17 2HB GLU 17 6.297 0.679 -4.917
102 HG2 GLU 17 1HG GLU 17 3.971 1.085 -6.733
103 HG3 GLU 17 2HG GLU 17 4.416 2.350 -5.589
104 H CYS 18 H CYS 18 5.279 -1.631 -3.288
105 HA CYS 18 HA CYS 18 7.861 -3.018 -3.506
106 HB2 CYS 18 1HB CYS 18 7.840 -2.830 -0.975
107 HB3 CYS 18 2HB CYS 18 7.977 -1.312 -1.856
108 H GLY 19 H GLY 19 4.562 -3.365 -2.280
109 HA2 GLY 19 1HA GLY 19 3.503 -5.550 -2.633
110 HA3 GLY 19 2HA GLY 19 5.028 -6.280 -2.153
111 H LYS 20 H LYS 20 3.442 -3.548 -0.587
112 HA LYS 20 HA LYS 20 3.385 -5.091 1.899
113 HB2 LYS 20 1HB LYS 20 3.327 -2.161 1.256
114 HB3 LYS 20 2HB LYS 20 2.772 -2.732 2.824
115 HG2 LYS 20 1HG LYS 20 4.923 -3.673 3.309
116 HG3 LYS 20 2HG LYS 20 5.495 -3.314 1.679
117 HD2 LYS 20 1HD LYS 20 5.690 -1.061 2.098
118 HD3 LYS 20 2HD LYS 20 4.467 -1.083 3.371
119 HE2 LYS 20 1HE LYS 20 5.953 -1.922 4.953
120 HE3 LYS 20 2HE LYS 20 7.067 -2.525 3.727
121 HZ1 LYS 20 3HZ LYS 20 6.847 0.243 3.413
122 HZ2 LYS 20 1HZ LYS 20 8.201 -0.649 3.897
123 HZ3 LYS 20 2HZ LYS 20 7.118 -0.061 5.055
124 H SER 21 H SER 21 1.464 -4.180 3.387
125 HA SER 21 HA SER 21 -1.024 -4.215 1.828
126 HB2 SER 21 1HB SER 21 -0.505 -5.929 4.269
127 HB3 SER 21 2HB SER 21 -2.021 -5.834 3.374
128 HG SER 21 HG SER 21 0.424 -6.607 2.173
129 H PHE 22 H PHE 22 -2.869 -3.362 2.946
130 HA PHE 22 HA PHE 22 -2.427 -2.006 5.473
131 HB2 PHE 22 1HB PHE 22 -3.125 -0.469 2.961
132 HB3 PHE 22 2HB PHE 22 -3.115 0.196 4.591
133 HD1 PHE 22 HD1 PHE 22 -0.976 0.430 5.814
134 HD2 PHE 22 HD2 PHE 22 -1.126 -0.735 1.722
135 HE1 PHE 22 HE1 PHE 22 1.406 0.995 5.569
136 HE2 PHE 22 HE2 PHE 22 1.256 -0.172 1.472
137 HZ PHE 22 HZ PHE 22 2.525 0.694 3.396
138 H ARG 23 H ARG 23 -4.348 -1.364 6.511
139 HA ARG 23 HA ARG 23 -6.750 -2.649 5.413
140 HB2 ARG 23 1HB ARG 23 -5.702 -3.188 7.757
141 HB3 ARG 23 2HB ARG 23 -6.530 -1.716 8.249
142 HG2 ARG 23 1HG ARG 23 -8.656 -2.633 7.645
143 HG3 ARG 23 2HG ARG 23 -7.890 -4.050 6.925
144 HD2 ARG 23 1HD ARG 23 -7.345 -4.961 8.973
145 HD3 ARG 23 2HD ARG 23 -7.375 -3.400 9.791
146 HE ARG 23 HE ARG 23 -9.634 -3.649 10.134
147 HH11 ARG 23 1HH1 ARG 23 -8.520 -6.046 7.868
148 HH12 ARG 23 2HH1 ARG 23 -10.003 -6.941 7.886
149 HH21 ARG 23 1HH2 ARG 23 -11.591 -4.819 10.166
150 HH22 ARG 23 2HH2 ARG 23 -11.750 -6.242 9.193
151 H TRP 24 H TRP 24 -5.976 -0.110 4.436
152 HA TRP 24 HA TRP 24 -8.405 1.312 4.759
153 HB2 TRP 24 1HB TRP 24 -6.030 2.213 6.329
154 HB3 TRP 24 2HB TRP 24 -7.067 3.438 5.603
155 HD1 TRP 24 HD1 TRP 24 -6.693 1.610 8.715
156 HE1 TRP 24 HE1 TRP 24 -8.862 1.650 10.102
157 HE3 TRP 24 HE3 TRP 24 -9.937 3.210 5.103
158 HZ2 TRP 24 HZ2 TRP 24 -11.587 2.277 9.715
159 HZ3 TRP 24 HZ3 TRP 24 -12.308 3.504 5.693
160 HH2 TRP 24 HH2 TRP 24 -13.114 3.046 7.951
161 H ALA 25 H ALA 25 -8.231 3.541 3.652
162 HA ALA 25 HA ALA 25 -6.780 3.126 1.163
163 HB1 ALA 25 3HB ALA 25 -8.521 4.134 0.227
164 HB2 ALA 25 1HB ALA 25 -9.266 4.239 1.822
165 HB3 ALA 25 2HB ALA 25 -8.280 5.572 1.219
166 H SER 26 H SER 26 -7.007 5.523 3.762
167 HA SER 26 HA SER 26 -5.108 7.314 2.631
168 HB2 SER 26 1HB SER 26 -5.152 8.426 4.810
169 HB3 SER 26 2HB SER 26 -6.791 8.024 4.298
170 HG SER 26 HG SER 26 -5.189 6.607 6.164
171 H CYS 27 H CYS 27 -4.901 4.880 5.215
172 HA CYS 27 HA CYS 27 -2.321 5.194 6.044
173 HB2 CYS 27 1HB CYS 27 -4.133 3.446 6.725
174 HB3 CYS 27 2HB CYS 27 -3.356 2.427 5.519
175 HG CYS 27 HG CYS 27 -0.865 2.433 6.771
176 H LEU 28 H LEU 28 -3.402 3.311 3.232
177 HA LEU 28 HA LEU 28 -0.823 2.476 2.437
178 HB2 LEU 28 1HB LEU 28 -2.536 1.212 1.537
179 HB3 LEU 28 2HB LEU 28 -3.496 2.629 1.116
180 HG LEU 28 HG LEU 28 -1.952 3.105 -0.737
181 HD11 LEU 28 1HD1 LEU 28 -0.398 1.025 0.580
182 HD12 LEU 28 2HD1 LEU 28 0.111 2.280 -0.550
183 HD13 LEU 28 3HD1 LEU 28 -0.571 0.771 -1.157
184 HD21 LEU 28 3HD2 LEU 28 -3.981 1.680 -1.020
185 HD22 LEU 28 1HD2 LEU 28 -2.947 0.263 -0.837
186 HD23 LEU 28 2HD2 LEU 28 -2.702 1.362 -2.194
187 H LEU 29 H LEU 29 -2.861 5.203 1.447
188 HA LEU 29 HA LEU 29 -1.304 6.217 -0.608
189 HB2 LEU 29 1HB LEU 29 -3.113 7.519 1.395
190 HB3 LEU 29 2HB LEU 29 -2.257 8.476 0.188
191 HG LEU 29 HG LEU 29 -4.219 6.264 -0.416
192 HD11 LEU 29 1HD1 LEU 29 -4.594 9.045 0.252
193 HD12 LEU 29 2HD1 LEU 29 -5.791 7.777 -0.005
194 HD13 LEU 29 3HD1 LEU 29 -5.171 8.695 -1.377
195 HD21 LEU 29 3HD2 LEU 29 -4.081 7.480 -2.704
196 HD22 LEU 29 1HD2 LEU 29 -2.821 6.328 -2.257
197 HD23 LEU 29 2HD2 LEU 29 -2.526 8.060 -2.105
198 H LYS 30 H LYS 30 -1.265 7.320 2.787
199 HA LYS 30 HA LYS 30 0.824 9.069 2.708
200 HB2 LYS 30 1HB LYS 30 -0.553 8.565 4.713
201 HB3 LYS 30 2HB LYS 30 0.337 7.061 4.916
202 HG2 LYS 30 1HG LYS 30 1.865 9.608 4.783
203 HG3 LYS 30 2HG LYS 30 0.977 9.224 6.259
204 HD2 LYS 30 1HD LYS 30 2.695 7.111 5.058
205 HD3 LYS 30 2HD LYS 30 3.482 8.448 5.901
206 HE2 LYS 30 1HE LYS 30 2.222 7.975 7.907
207 HE3 LYS 30 2HE LYS 30 1.301 6.725 7.072
208 HZ1 LYS 30 3HZ LYS 30 4.065 6.664 8.038
209 HZ2 LYS 30 1HZ LYS 30 3.685 5.767 6.655
210 HZ3 LYS 30 2HZ LYS 30 2.873 5.467 8.107
211 H HIS 31 H HIS 31 0.990 5.560 2.731
212 HA HIS 31 HA HIS 31 3.818 5.418 3.096
213 HB2 HIS 31 1HB HIS 31 2.778 3.444 3.716
214 HB3 HIS 31 2HB HIS 31 1.666 3.478 2.351
215 HD1 HIS 31 HD1 HIS 31 5.332 2.812 3.065
216 HD2 HIS 31 HD2 HIS 31 2.407 1.904 0.258
217 HE1 HIS 31 HE1 HIS 31 6.388 1.140 1.512
218 H GLN 32 H GLN 32 1.672 5.226 0.280
219 HA GLN 32 HA GLN 32 3.395 4.557 -1.719
220 HB2 GLN 32 1HB GLN 32 1.194 6.621 -1.745
221 HB3 GLN 32 2HB GLN 32 2.024 6.082 -3.198
222 HG2 GLN 32 1HG GLN 32 1.187 3.887 -2.981
223 HG3 GLN 32 2HG GLN 32 0.624 4.188 -1.338
224 HE21 GLN 32 1HE2 GLN 32 -1.289 3.187 -2.583
225 HE22 GLN 32 2HE2 GLN 32 -2.413 4.320 -3.245
226 H ARG 33 H ARG 33 3.457 7.418 0.189
227 HA ARG 33 HA ARG 33 4.734 9.236 -1.469
228 HB2 ARG 33 1HB ARG 33 4.848 8.771 1.498
229 HB3 ARG 33 2HB ARG 33 5.807 10.038 0.744
230 HG2 ARG 33 1HG ARG 33 3.841 11.144 -0.051
231 HG3 ARG 33 2HG ARG 33 2.820 9.805 0.477
232 HD2 ARG 33 1HD ARG 33 3.112 10.320 2.736
233 HD3 ARG 33 2HD ARG 33 4.542 11.302 2.421
234 HE ARG 33 HE ARG 33 2.436 12.535 1.118
235 HH11 ARG 33 1HH1 ARG 33 3.300 11.703 4.387
236 HH12 ARG 33 2HH1 ARG 33 2.439 13.032 5.091
237 HH21 ARG 33 1HH2 ARG 33 1.300 14.288 2.033
238 HH22 ARG 33 2HH2 ARG 33 1.301 14.501 3.751
239 H VAL 34 H VAL 34 6.133 6.662 0.524
240 HA VAL 34 HA VAL 34 8.821 7.189 0.228
241 HB VAL 34 HB VAL 34 9.210 4.760 0.481
242 HG11 VAL 34 1HG1 VAL 34 8.988 5.395 2.609
243 HG12 VAL 34 2HG1 VAL 34 7.608 6.432 2.242
244 HG13 VAL 34 3HG1 VAL 34 7.366 4.708 2.529
245 HG21 VAL 34 3HG2 VAL 34 6.715 4.539 -0.756
246 HG22 VAL 34 1HG2 VAL 34 7.706 3.231 -0.109
247 HG23 VAL 34 2HG2 VAL 34 6.467 3.979 0.898
248 H HIS 35 H HIS 35 6.572 5.957 -2.120
249 HA HIS 35 HA HIS 35 8.706 5.247 -3.978
250 HB2 HIS 35 1HB HIS 35 5.701 5.062 -4.285
251 HB3 HIS 35 2HB HIS 35 6.888 4.438 -5.427
252 HD1 HIS 35 HD1 HIS 35 8.585 2.578 -4.257
253 HD2 HIS 35 HD2 HIS 35 4.872 3.210 -2.503
254 HE1 HIS 35 HE1 HIS 35 8.162 0.551 -2.829
255 H SER 36 H SER 36 6.710 7.892 -3.211
256 HA SER 36 HA SER 36 7.489 9.217 -5.722
257 HB2 SER 36 1HB SER 36 5.076 8.689 -5.770
258 HB3 SER 36 2HB SER 36 4.859 9.581 -4.264
259 HG SER 36 HG SER 36 5.877 10.698 -6.667
260 H GLY 37 H GLY 37 8.866 10.802 -5.291
261 HA2 GLY 37 1HA GLY 37 9.619 12.796 -4.374
262 HA3 GLY 37 2HA GLY 37 8.265 12.758 -3.255
263 H GLU 38 H GLU 38 10.114 9.889 -3.403
264 HA GLU 38 HA GLU 38 11.769 10.704 -1.124
265 HB2 GLU 38 1HB GLU 38 9.713 8.534 -1.178
266 HB3 GLU 38 2HB GLU 38 11.169 8.302 -0.219
267 HG2 GLU 38 1HG GLU 38 9.427 10.729 0.062
268 HG3 GLU 38 2HG GLU 38 9.147 9.246 0.972
269 H LYS 39 H LYS 39 13.245 8.718 -0.524
270 HA LYS 39 HA LYS 39 14.112 7.319 -2.948
271 HB2 LYS 39 1HB LYS 39 15.845 9.073 -1.208
272 HB3 LYS 39 2HB LYS 39 16.505 7.869 -2.307
273 HG2 LYS 39 1HG LYS 39 15.392 9.017 -4.184
274 HG3 LYS 39 2HG LYS 39 14.828 10.256 -3.059
275 HD2 LYS 39 1HD LYS 39 16.760 11.177 -4.004
276 HD3 LYS 39 2HD LYS 39 17.301 10.549 -2.445
277 HE2 LYS 39 1HE LYS 39 18.897 9.974 -4.174
278 HE3 LYS 39 2HE LYS 39 18.112 8.517 -3.567
279 HZ1 LYS 39 3HZ LYS 39 17.204 8.095 -5.549
280 HZ2 LYS 39 1HZ LYS 39 18.353 9.171 -6.169
281 HZ3 LYS 39 2HZ LYS 39 16.786 9.710 -5.830
282 HA PRO 40 HA PRO 40 14.515 3.891 -0.221
283 HB2 PRO 40 1HB PRO 40 16.292 2.398 -1.629
284 HB3 PRO 40 2HB PRO 40 14.601 2.584 -2.109
285 HG2 PRO 40 1HG PRO 40 17.029 4.001 -3.138
286 HG3 PRO 40 2HG PRO 40 15.655 3.335 -4.041
287 HD2 PRO 40 1HD PRO 40 15.886 5.973 -3.475
288 HD3 PRO 40 2HD PRO 40 14.314 5.154 -3.588
289 H SER 41 H SER 41 16.854 6.186 -0.621
290 HA SER 41 HA SER 41 18.688 6.773 0.594
291 HB2 SER 41 1HB SER 41 18.858 6.047 2.777
292 HB3 SER 41 2HB SER 41 17.191 5.586 2.432
293 HG SER 41 HG SER 41 17.731 3.557 2.583
294 H GLY 42 H GLY 42 18.910 5.091 -1.713
295 HA2 GLY 42 1HA GLY 42 21.187 4.550 -2.507
296 HA3 GLY 42 2HA GLY 42 21.384 3.627 -1.024
297 HA PRO 43 HA PRO 43 20.136 0.712 -4.411
298 HB2 PRO 43 1HB PRO 43 22.033 -1.143 -3.836
299 HB3 PRO 43 2HB PRO 43 22.326 0.229 -4.911
300 HG2 PRO 43 1HG PRO 43 23.048 -0.105 -2.025
301 HG3 PRO 43 2HG PRO 43 24.016 0.568 -3.350
302 HD2 PRO 43 1HD PRO 43 22.715 2.127 -1.557
303 HD3 PRO 43 2HD PRO 43 22.963 2.616 -3.246
304 H SER 44 H SER 44 18.650 -0.831 -4.077
305 HA SER 44 HA SER 44 17.363 -1.399 -1.812
306 HB2 SER 44 1HB SER 44 18.027 -3.411 -3.974
307 HB3 SER 44 2HB SER 44 16.775 -3.635 -2.752
308 HG SER 44 HG SER 44 15.530 -2.231 -3.749
309 H SER 45 H SER 45 20.385 -2.923 -2.803
310 HA SER 45 HA SER 45 21.176 -3.446 -0.137
311 HB2 SER 45 1HB SER 45 20.980 -5.801 0.019
312 HB3 SER 45 2HB SER 45 19.409 -5.253 -0.566
313 HG SER 45 HG SER 45 21.281 -6.832 -1.788
314 H GLY 46 H GLY 46 23.332 -3.466 -0.105
315 HA2 GLY 46 1HA GLY 46 24.782 -4.515 -2.435
316 HA3 GLY 46 2HA GLY 46 25.107 -2.871 -1.907
Start of MODEL 7
1 H1 GLY 1 1H GLY 1 16.233 -17.805 10.216
2 HA2 GLY 1 1HA GLY 1 14.152 -16.810 9.071
3 HA3 GLY 1 2HA GLY 1 13.480 -18.407 9.362
4 H SER 2 H SER 2 11.867 -16.980 10.496
5 HA SER 2 HA SER 2 12.713 -16.610 13.294
6 HB2 SER 2 1HB SER 2 11.381 -14.640 13.493
7 HB3 SER 2 2HB SER 2 12.333 -14.446 12.022
8 HG SER 2 HG SER 2 10.136 -13.897 11.699
9 H SER 3 H SER 3 10.663 -16.430 14.741
10 HA SER 3 HA SER 3 9.336 -18.903 14.640
11 HB2 SER 3 1HB SER 3 8.514 -16.427 16.176
12 HB3 SER 3 2HB SER 3 8.017 -18.083 16.522
13 HG SER 3 HG SER 3 10.535 -18.303 16.546
14 H GLY 4 H GLY 4 7.020 -19.294 14.475
15 HA2 GLY 4 1HA GLY 4 5.930 -18.011 12.135
16 HA3 GLY 4 2HA GLY 4 5.207 -19.338 13.032
17 H SER 5 H SER 5 3.657 -17.283 12.057
18 HA SER 5 HA SER 5 2.822 -15.961 14.550
19 HB2 SER 5 1HB SER 5 2.273 -13.939 13.351
20 HB3 SER 5 2HB SER 5 3.946 -14.358 12.982
21 HG SER 5 HG SER 5 1.739 -15.055 11.342
22 H SER 6 H SER 6 0.543 -15.401 14.633
23 HA SER 6 HA SER 6 -1.089 -17.228 12.996
24 HB2 SER 6 1HB SER 6 -2.704 -17.160 14.928
25 HB3 SER 6 2HB SER 6 -1.156 -17.919 15.298
26 HG SER 6 HG SER 6 -2.093 -15.362 16.045
27 H GLY 7 H GLY 7 -2.944 -16.486 12.036
28 HA2 GLY 7 1HA GLY 7 -4.612 -14.970 11.452
29 HA3 GLY 7 2HA GLY 7 -3.928 -13.818 12.590
30 H THR 8 H THR 8 -3.357 -15.315 9.425
31 HA THR 8 HA THR 8 -1.312 -13.852 8.421
32 HB THR 8 HB THR 8 -3.852 -14.483 6.904
33 HG1 THR 8 HG1 THR 8 -1.502 -16.037 6.824
34 HG21 THR 8 3HG2 THR 8 -2.526 -14.360 4.912
35 HG22 THR 8 1HG2 THR 8 -1.050 -14.116 5.846
36 HG23 THR 8 2HG2 THR 8 -2.289 -12.861 5.809
37 H GLY 9 H GLY 9 -4.701 -12.801 8.593
38 HA2 GLY 9 1HA GLY 9 -5.530 -10.646 8.795
39 HA3 GLY 9 2HA GLY 9 -3.879 -10.044 8.753
40 H GLU 10 H GLU 10 -6.512 -11.263 6.733
41 HA GLU 10 HA GLU 10 -5.279 -10.459 4.279
42 HB2 GLU 10 1HB GLU 10 -7.952 -11.526 5.076
43 HB3 GLU 10 2HB GLU 10 -7.789 -10.757 3.503
44 HG2 GLU 10 1HG GLU 10 -7.504 -13.280 3.617
45 HG3 GLU 10 2HG GLU 10 -6.283 -12.361 2.738
46 H LYS 11 H LYS 11 -5.121 -8.459 3.540
47 HA LYS 11 HA LYS 11 -7.092 -6.461 4.442
48 HB2 LYS 11 1HB LYS 11 -4.147 -6.320 3.992
49 HB3 LYS 11 2HB LYS 11 -5.105 -4.884 3.652
50 HG2 LYS 11 1HG LYS 11 -5.659 -4.561 5.849
51 HG3 LYS 11 2HG LYS 11 -5.481 -6.269 6.259
52 HD2 LYS 11 1HD LYS 11 -3.135 -4.555 5.484
53 HD3 LYS 11 2HD LYS 11 -3.708 -4.666 7.150
54 HE2 LYS 11 1HE LYS 11 -3.552 -7.254 6.664
55 HE3 LYS 11 2HE LYS 11 -2.398 -6.724 5.441
56 HZ1 LYS 11 3HZ LYS 11 -1.100 -7.083 7.309
57 HZ2 LYS 11 1HZ LYS 11 -2.243 -6.430 8.372
58 HZ3 LYS 11 2HZ LYS 11 -1.354 -5.411 7.357
59 HA PRO 12 HA PRO 12 -8.367 -5.973 0.258
60 HB2 PRO 12 1HB PRO 12 -9.375 -3.456 0.401
61 HB3 PRO 12 2HB PRO 12 -10.191 -4.860 1.100
62 HG2 PRO 12 1HG PRO 12 -8.481 -2.801 2.441
63 HG3 PRO 12 2HG PRO 12 -10.009 -3.514 2.988
64 HD2 PRO 12 1HD PRO 12 -7.604 -4.324 3.932
65 HD3 PRO 12 2HD PRO 12 -8.984 -5.427 3.764
66 H TYR 13 H TYR 13 -6.531 -3.301 1.712
67 HA TYR 13 HA TYR 13 -5.597 -2.444 -0.908
68 HB2 TYR 13 1HB TYR 13 -4.849 -1.313 1.792
69 HB3 TYR 13 2HB TYR 13 -4.647 -0.546 0.220
70 HD1 TYR 13 HD2 TYR 13 -6.565 0.409 -0.954
71 HD2 TYR 13 HD1 TYR 13 -7.002 -1.356 2.893
72 HE1 TYR 13 HE2 TYR 13 -8.767 1.480 -0.719
73 HE2 TYR 13 HE1 TYR 13 -9.205 -0.291 3.138
74 HH TYR 13 HH TYR 13 -10.868 1.104 0.562
75 H ASN 14 H ASN 14 -3.661 -2.909 -1.748
76 HA ASN 14 HA ASN 14 -1.478 -3.787 -0.038
77 HB2 ASN 14 1HB ASN 14 -1.089 -5.796 -1.529
78 HB3 ASN 14 2HB ASN 14 -2.484 -5.908 -0.460
79 HD21 ASN 14 1HD2 ASN 14 -4.359 -6.442 -1.327
80 HD22 ASN 14 2HD2 ASN 14 -4.734 -6.418 -3.014
81 H CYS 15 H CYS 15 0.137 -2.514 -0.643
82 HA CYS 15 HA CYS 15 0.288 -1.143 -3.089
83 HB2 CYS 15 1HB CYS 15 1.436 -0.461 -0.980
84 HB3 CYS 15 2HB CYS 15 2.572 -1.786 -1.214
85 H LYS 16 H LYS 16 1.124 -1.641 -5.023
86 HA LYS 16 HA LYS 16 2.095 -4.352 -5.434
87 HB2 LYS 16 1HB LYS 16 1.429 -2.152 -7.399
88 HB3 LYS 16 2HB LYS 16 1.922 -3.780 -7.846
89 HG2 LYS 16 1HG LYS 16 -0.462 -3.320 -6.096
90 HG3 LYS 16 2HG LYS 16 -0.578 -3.203 -7.853
91 HD2 LYS 16 1HD LYS 16 0.724 -5.604 -6.663
92 HD3 LYS 16 2HD LYS 16 -1.035 -5.477 -6.599
93 HE2 LYS 16 1HE LYS 16 -1.183 -5.324 -8.975
94 HE3 LYS 16 2HE LYS 16 0.565 -5.156 -9.131
95 HZ1 LYS 16 3HZ LYS 16 -0.963 -7.567 -8.336
96 HZ2 LYS 16 1HZ LYS 16 0.710 -7.435 -8.119
97 HZ3 LYS 16 2HZ LYS 16 0.053 -7.373 -9.676
98 H GLU 17 H GLU 17 3.261 -1.064 -5.476
99 HA GLU 17 HA GLU 17 5.592 -1.291 -6.937
100 HB2 GLU 17 1HB GLU 17 4.870 0.360 -4.534
101 HB3 GLU 17 2HB GLU 17 6.481 0.450 -5.233
102 HG2 GLU 17 1HG GLU 17 5.363 2.197 -6.249
103 HG3 GLU 17 2HG GLU 17 5.269 0.910 -7.449
104 H CYS 18 H CYS 18 5.439 -1.513 -3.377
105 HA CYS 18 HA CYS 18 7.936 -3.025 -3.397
106 HB2 CYS 18 1HB CYS 18 7.953 -2.662 -0.979
107 HB3 CYS 18 2HB CYS 18 7.722 -1.139 -1.831
108 H GLY 19 H GLY 19 4.579 -3.337 -2.298
109 HA2 GLY 19 1HA GLY 19 3.488 -5.495 -2.610
110 HA3 GLY 19 2HA GLY 19 5.010 -6.255 -2.168
111 H LYS 20 H LYS 20 3.372 -3.547 -0.582
112 HA LYS 20 HA LYS 20 3.364 -5.114 1.899
113 HB2 LYS 20 1HB LYS 20 3.417 -2.181 1.293
114 HB3 LYS 20 2HB LYS 20 2.806 -2.735 2.847
115 HG2 LYS 20 1HG LYS 20 4.953 -3.925 3.207
116 HG3 LYS 20 2HG LYS 20 5.553 -3.207 1.711
117 HD2 LYS 20 1HD LYS 20 6.349 -1.705 3.256
118 HD3 LYS 20 2HD LYS 20 4.797 -0.967 2.855
119 HE2 LYS 20 1HE LYS 20 4.944 -2.930 5.096
120 HE3 LYS 20 2HE LYS 20 5.530 -1.288 5.354
121 HZ1 LYS 20 3HZ LYS 20 2.816 -2.251 5.000
122 HZ2 LYS 20 1HZ LYS 20 3.181 -0.804 4.203
123 HZ3 LYS 20 2HZ LYS 20 3.390 -0.923 5.877
124 H SER 21 H SER 21 1.483 -4.103 3.417
125 HA SER 21 HA SER 21 -1.019 -4.201 1.871
126 HB2 SER 21 1HB SER 21 -1.989 -5.524 3.804
127 HB3 SER 21 2HB SER 21 -0.815 -6.389 2.812
128 HG SER 21 HG SER 21 -0.661 -5.587 5.448
129 H PHE 22 H PHE 22 -2.900 -3.354 3.078
130 HA PHE 22 HA PHE 22 -2.374 -1.649 5.347
131 HB2 PHE 22 1HB PHE 22 -3.061 -0.490 2.643
132 HB3 PHE 22 2HB PHE 22 -3.256 0.394 4.154
133 HD1 PHE 22 HD2 PHE 22 -0.791 -1.188 1.911
134 HD2 PHE 22 HD1 PHE 22 -1.415 1.406 5.228
135 HE1 PHE 22 HE2 PHE 22 1.558 -0.468 1.786
136 HE2 PHE 22 HE1 PHE 22 0.933 2.130 5.108
137 HZ PHE 22 HZ PHE 22 2.424 1.193 3.386
138 H ARG 23 H ARG 23 -4.193 -1.212 6.517
139 HA ARG 23 HA ARG 23 -6.521 -2.758 5.939
140 HB2 ARG 23 1HB ARG 23 -5.945 -0.705 8.079
141 HB3 ARG 23 2HB ARG 23 -7.431 -1.643 7.998
142 HG2 ARG 23 1HG ARG 23 -6.132 -3.708 8.222
143 HG3 ARG 23 2HG ARG 23 -4.652 -2.753 8.331
144 HD2 ARG 23 1HD ARG 23 -6.969 -2.395 10.215
145 HD3 ARG 23 2HD ARG 23 -5.657 -3.532 10.522
146 HE ARG 23 HE ARG 23 -4.336 -1.233 10.082
147 HH11 ARG 23 1HH1 ARG 23 -7.035 -2.035 12.129
148 HH12 ARG 23 2HH1 ARG 23 -6.648 -0.844 13.327
149 HH21 ARG 23 1HH2 ARG 23 -3.815 0.338 11.652
150 HH22 ARG 23 2HH2 ARG 23 -4.816 0.505 13.054
151 H TRP 24 H TRP 24 -6.041 0.757 6.324
152 HA TRP 24 HA TRP 24 -8.502 1.192 4.783
153 HB2 TRP 24 1HB TRP 24 -7.012 2.817 6.811
154 HB3 TRP 24 2HB TRP 24 -8.046 3.633 5.642
155 HD1 TRP 24 HD1 TRP 24 -8.230 2.422 9.012
156 HE1 TRP 24 HE1 TRP 24 -10.646 1.896 9.728
157 HE3 TRP 24 HE3 TRP 24 -10.439 2.325 4.403
158 HZ2 TRP 24 HZ2 TRP 24 -13.156 1.493 8.501
159 HZ3 TRP 24 HZ3 TRP 24 -12.852 1.861 4.261
160 HH2 TRP 24 HH2 TRP 24 -14.180 1.454 6.268
161 H ALA 25 H ALA 25 -8.535 2.864 3.155
162 HA ALA 25 HA ALA 25 -6.456 2.657 1.294
163 HB1 ALA 25 3HB ALA 25 -9.023 3.828 1.394
164 HB2 ALA 25 1HB ALA 25 -7.902 5.072 0.841
165 HB3 ALA 25 2HB ALA 25 -8.010 3.536 -0.020
166 H SER 26 H SER 26 -7.356 5.451 3.323
167 HA SER 26 HA SER 26 -5.435 7.245 2.630
168 HB2 SER 26 1HB SER 26 -6.398 6.652 5.439
169 HB3 SER 26 2HB SER 26 -5.565 8.125 4.944
170 HG SER 26 HG SER 26 -7.822 7.389 3.489
171 H CYS 27 H CYS 27 -5.042 4.906 5.298
172 HA CYS 27 HA CYS 27 -2.512 5.316 6.082
173 HB2 CYS 27 1HB CYS 27 -4.181 3.392 6.667
174 HB3 CYS 27 2HB CYS 27 -3.292 2.490 5.446
175 HG CYS 27 HG CYS 27 -2.080 3.739 8.386
176 H LEU 28 H LEU 28 -3.292 3.158 3.349
177 HA LEU 28 HA LEU 28 -0.668 2.701 2.525
178 HB2 LEU 28 1HB LEU 28 -2.237 1.272 1.603
179 HB3 LEU 28 2HB LEU 28 -3.325 2.588 1.165
180 HG LEU 28 HG LEU 28 -1.751 3.226 -0.642
181 HD11 LEU 28 1HD1 LEU 28 -0.311 0.815 -0.919
182 HD12 LEU 28 2HD1 LEU 28 -0.050 1.394 0.726
183 HD13 LEU 28 3HD1 LEU 28 0.319 2.440 -0.645
184 HD21 LEU 28 3HD2 LEU 28 -2.097 0.837 -1.835
185 HD22 LEU 28 1HD2 LEU 28 -3.385 2.023 -1.626
186 HD23 LEU 28 2HD2 LEU 28 -3.231 0.681 -0.492
187 H LEU 29 H LEU 29 -2.965 5.210 1.528
188 HA LEU 29 HA LEU 29 -1.627 6.404 -0.533
189 HB2 LEU 29 1HB LEU 29 -3.848 7.010 0.747
190 HB3 LEU 29 2HB LEU 29 -2.798 8.164 1.566
191 HG LEU 29 HG LEU 29 -3.160 8.049 -1.425
192 HD11 LEU 29 1HD1 LEU 29 -5.205 8.859 -1.000
193 HD12 LEU 29 2HD1 LEU 29 -4.352 10.351 -0.609
194 HD13 LEU 29 3HD1 LEU 29 -4.816 9.239 0.678
195 HD21 LEU 29 3HD2 LEU 29 -2.267 10.416 -1.173
196 HD22 LEU 29 1HD2 LEU 29 -1.116 9.102 -0.930
197 HD23 LEU 29 2HD2 LEU 29 -1.794 9.949 0.461
198 H LYS 30 H LYS 30 -1.149 7.054 2.931
199 HA LYS 30 HA LYS 30 0.848 8.992 2.665
200 HB2 LYS 30 1HB LYS 30 -0.021 7.138 4.829
201 HB3 LYS 30 2HB LYS 30 1.537 7.934 5.011
202 HG2 LYS 30 1HG LYS 30 -0.872 9.555 4.327
203 HG3 LYS 30 2HG LYS 30 -0.616 9.018 5.989
204 HD2 LYS 30 1HD LYS 30 1.518 10.438 4.417
205 HD3 LYS 30 2HD LYS 30 0.301 11.312 5.351
206 HE2 LYS 30 1HE LYS 30 1.959 9.141 6.590
207 HE3 LYS 30 2HE LYS 30 2.562 10.793 6.465
208 HZ1 LYS 30 3HZ LYS 30 1.565 10.677 8.553
209 HZ2 LYS 30 1HZ LYS 30 0.232 9.802 7.989
210 HZ3 LYS 30 2HZ LYS 30 0.396 11.439 7.596
211 H HIS 31 H HIS 31 1.115 5.470 3.044
212 HA HIS 31 HA HIS 31 3.891 5.279 3.134
213 HB2 HIS 31 1HB HIS 31 2.810 3.292 3.648
214 HB3 HIS 31 2HB HIS 31 1.708 3.417 2.281
215 HD1 HIS 31 HD1 HIS 31 5.442 2.883 2.811
216 HD2 HIS 31 HD2 HIS 31 2.360 1.736 0.273
217 HE1 HIS 31 HE1 HIS 31 6.466 1.232 1.214
218 H GLN 32 H GLN 32 1.712 5.320 0.341
219 HA GLN 32 HA GLN 32 3.380 4.731 -1.724
220 HB2 GLN 32 1HB GLN 32 1.334 6.955 -1.647
221 HB3 GLN 32 2HB GLN 32 2.036 6.285 -3.113
222 HG2 GLN 32 1HG GLN 32 0.969 4.217 -2.809
223 HG3 GLN 32 2HG GLN 32 0.557 4.585 -1.135
224 HE21 GLN 32 1HE2 GLN 32 -1.466 3.718 -2.498
225 HE22 GLN 32 2HE2 GLN 32 -2.537 4.981 -2.992
226 H ARG 33 H ARG 33 3.581 7.452 0.372
227 HA ARG 33 HA ARG 33 4.871 9.360 -1.136
228 HB2 ARG 33 1HB ARG 33 5.064 8.571 1.748
229 HB3 ARG 33 2HB ARG 33 6.141 9.806 1.110
230 HG2 ARG 33 1HG ARG 33 3.971 10.906 0.234
231 HG3 ARG 33 2HG ARG 33 3.170 9.866 1.413
232 HD2 ARG 33 1HD ARG 33 3.635 12.062 2.361
233 HD3 ARG 33 2HD ARG 33 4.558 10.809 3.189
234 HE ARG 33 HE ARG 33 6.222 11.768 1.224
235 HH11 ARG 33 1HH1 ARG 33 4.530 13.101 3.960
236 HH12 ARG 33 2HH1 ARG 33 5.704 14.341 4.248
237 HH21 ARG 33 1HH2 ARG 33 7.775 13.397 1.593
238 HH22 ARG 33 2HH2 ARG 33 7.550 14.509 2.901
239 H VAL 34 H VAL 34 6.295 6.559 0.511
240 HA VAL 34 HA VAL 34 8.978 7.071 -0.031
241 HB VAL 34 HB VAL 34 9.369 4.677 0.264
242 HG11 VAL 34 1HG1 VAL 34 9.153 5.008 2.448
243 HG12 VAL 34 2HG1 VAL 34 8.138 6.410 2.105
244 HG13 VAL 34 3HG1 VAL 34 7.403 4.824 2.339
245 HG21 VAL 34 3HG2 VAL 34 7.002 4.285 -0.979
246 HG22 VAL 34 1HG2 VAL 34 7.820 3.061 -0.007
247 HG23 VAL 34 2HG2 VAL 34 6.529 4.032 0.701
248 H HIS 35 H HIS 35 6.444 5.934 -2.106
249 HA HIS 35 HA HIS 35 8.339 5.149 -4.187
250 HB2 HIS 35 1HB HIS 35 5.323 4.965 -4.068
251 HB3 HIS 35 2HB HIS 35 6.307 4.408 -5.418
252 HD1 HIS 35 HD1 HIS 35 8.392 2.712 -4.307
253 HD2 HIS 35 HD2 HIS 35 4.613 2.837 -2.583
254 HE1 HIS 35 HE1 HIS 35 8.176 0.573 -3.003
255 H SER 36 H SER 36 7.908 7.958 -3.292
256 HA SER 36 HA SER 36 6.667 9.187 -5.628
257 HB2 SER 36 1HB SER 36 6.206 10.065 -3.334
258 HB3 SER 36 2HB SER 36 7.903 10.526 -3.211
259 HG SER 36 HG SER 36 5.972 11.504 -5.041
260 H GLY 37 H GLY 37 9.813 9.056 -3.994
261 HA2 GLY 37 1HA GLY 37 11.782 8.838 -5.447
262 HA3 GLY 37 2HA GLY 37 11.032 10.022 -6.507
263 H GLU 38 H GLU 38 12.369 9.594 -3.253
264 HA GLU 38 HA GLU 38 13.243 12.405 -3.354
265 HB2 GLU 38 1HB GLU 38 11.986 10.889 -1.084
266 HB3 GLU 38 2HB GLU 38 13.033 12.268 -0.777
267 HG2 GLU 38 1HG GLU 38 11.484 13.511 -2.429
268 HG3 GLU 38 2HG GLU 38 10.363 12.187 -2.113
269 H LYS 39 H LYS 39 15.373 12.589 -3.306
270 HA LYS 39 HA LYS 39 17.019 11.153 -1.485
271 HB2 LYS 39 1HB LYS 39 18.327 9.849 -3.037
272 HB3 LYS 39 2HB LYS 39 16.636 9.394 -3.201
273 HG2 LYS 39 1HG LYS 39 17.188 9.556 -5.394
274 HG3 LYS 39 2HG LYS 39 16.702 11.228 -5.105
275 HD2 LYS 39 1HD LYS 39 18.727 11.487 -6.196
276 HD3 LYS 39 2HD LYS 39 19.205 11.577 -4.500
277 HE2 LYS 39 1HE LYS 39 19.729 9.136 -4.603
278 HE3 LYS 39 2HE LYS 39 19.425 9.198 -6.339
279 HZ1 LYS 39 3HZ LYS 39 21.681 10.223 -4.812
280 HZ2 LYS 39 1HZ LYS 39 21.158 11.180 -6.105
281 HZ3 LYS 39 2HZ LYS 39 21.634 9.580 -6.376
282 HA PRO 40 HA PRO 40 19.453 14.752 -2.195
283 HB2 PRO 40 1HB PRO 40 21.796 13.910 -1.112
284 HB3 PRO 40 2HB PRO 40 20.387 14.343 -0.136
285 HG2 PRO 40 1HG PRO 40 21.356 11.635 -0.967
286 HG3 PRO 40 2HG PRO 40 20.744 12.170 0.610
287 HD2 PRO 40 1HD PRO 40 19.219 10.794 -1.155
288 HD3 PRO 40 2HD PRO 40 18.542 12.006 -0.049
289 H SER 41 H SER 41 20.899 15.569 -3.661
290 HA SER 41 HA SER 41 22.805 13.940 -5.039
291 HB2 SER 41 1HB SER 41 20.399 13.546 -6.084
292 HB3 SER 41 2HB SER 41 20.757 15.068 -6.899
293 HG SER 41 HG SER 41 21.645 13.650 -8.240
294 H GLY 42 H GLY 42 24.464 15.204 -5.565
295 HA2 GLY 42 1HA GLY 42 23.950 18.002 -6.301
296 HA3 GLY 42 2HA GLY 42 25.060 17.665 -4.980
297 HA PRO 43 HA PRO 43 27.024 16.090 -9.147
298 HB2 PRO 43 1HB PRO 43 26.065 17.329 -11.364
299 HB3 PRO 43 2HB PRO 43 25.401 15.811 -10.749
300 HG2 PRO 43 1HG PRO 43 24.385 18.604 -10.394
301 HG3 PRO 43 2HG PRO 43 23.480 17.121 -10.752
302 HD2 PRO 43 1HD PRO 43 23.613 18.182 -8.264
303 HD3 PRO 43 2HD PRO 43 23.489 16.435 -8.552
304 H SER 44 H SER 44 28.542 17.199 -10.662
305 HA SER 44 HA SER 44 30.269 18.698 -10.815
306 HB2 SER 44 1HB SER 44 29.604 20.846 -11.648
307 HB3 SER 44 2HB SER 44 28.413 19.679 -12.222
308 HG SER 44 HG SER 44 26.949 20.453 -10.815
309 H SER 45 H SER 45 29.813 17.994 -8.165
310 HA SER 45 HA SER 45 30.496 20.507 -6.793
311 HB2 SER 45 1HB SER 45 28.204 19.795 -6.175
312 HB3 SER 45 2HB SER 45 28.850 18.251 -5.620
313 HG SER 45 HG SER 45 28.543 20.258 -4.124
314 H GLY 46 H GLY 46 31.655 20.080 -4.679
315 HA2 GLY 46 1HA GLY 46 34.053 18.818 -5.068
316 HA3 GLY 46 2HA GLY 46 33.357 19.097 -3.479
Start of MODEL 8
1 H1 GLY 1 1H GLY 1 5.288 -29.793 0.320
2 HA2 GLY 1 1HA GLY 1 3.807 -28.424 -0.781
3 HA3 GLY 1 2HA GLY 1 3.075 -29.924 -1.331
4 H SER 2 H SER 2 1.923 -30.996 0.816
5 HA SER 2 HA SER 2 -0.293 -29.222 1.278
6 HB2 SER 2 1HB SER 2 0.304 -32.067 2.075
7 HB3 SER 2 2HB SER 2 -1.124 -31.219 2.667
8 HG SER 2 HG SER 2 -1.955 -31.918 0.860
9 H SER 3 H SER 3 -0.003 -27.621 2.700
10 HA SER 3 HA SER 3 1.048 -28.331 5.360
11 HB2 SER 3 1HB SER 3 2.634 -26.924 4.003
12 HB3 SER 3 2HB SER 3 1.416 -25.649 4.009
13 HG SER 3 HG SER 3 2.120 -26.757 6.465
14 H GLY 4 H GLY 4 -0.960 -26.024 3.544
15 HA2 GLY 4 1HA GLY 4 -3.024 -25.139 4.074
16 HA3 GLY 4 2HA GLY 4 -3.072 -26.209 5.467
17 H SER 5 H SER 5 -1.084 -23.436 4.423
18 HA SER 5 HA SER 5 -1.557 -22.247 7.079
19 HB2 SER 5 1HB SER 5 0.694 -21.237 6.919
20 HB3 SER 5 2HB SER 5 0.764 -22.999 6.881
21 HG SER 5 HG SER 5 1.252 -21.147 4.842
22 H SER 6 H SER 6 -3.291 -21.749 4.994
23 HA SER 6 HA SER 6 -3.160 -18.908 4.827
24 HB2 SER 6 1HB SER 6 -1.594 -19.330 3.030
25 HB3 SER 6 2HB SER 6 -2.693 -20.494 2.291
26 HG SER 6 HG SER 6 -4.177 -18.723 2.021
27 H GLY 7 H GLY 7 -5.204 -18.334 5.109
28 HA2 GLY 7 1HA GLY 7 -7.300 -19.281 3.412
29 HA3 GLY 7 2HA GLY 7 -7.412 -19.974 5.023
30 H THR 8 H THR 8 -6.696 -17.921 6.645
31 HA THR 8 HA THR 8 -8.651 -15.810 6.004
32 HB THR 8 HB THR 8 -9.170 -15.657 8.414
33 HG1 THR 8 HG1 THR 8 -7.948 -18.152 8.843
34 HG21 THR 8 3HG2 THR 8 -10.613 -17.545 8.519
35 HG22 THR 8 1HG2 THR 8 -9.572 -18.485 7.451
36 HG23 THR 8 2HG2 THR 8 -10.477 -17.112 6.815
37 H GLY 9 H GLY 9 -8.209 -13.712 6.792
38 HA2 GLY 9 1HA GLY 9 -6.863 -12.105 7.914
39 HA3 GLY 9 2HA GLY 9 -5.553 -13.275 7.959
40 H GLU 10 H GLU 10 -7.239 -10.917 6.009
41 HA GLU 10 HA GLU 10 -4.862 -10.420 4.476
42 HB2 GLU 10 1HB GLU 10 -6.249 -12.408 3.409
43 HB3 GLU 10 2HB GLU 10 -7.222 -11.088 2.776
44 HG2 GLU 10 1HG GLU 10 -5.512 -11.811 1.192
45 HG3 GLU 10 2HG GLU 10 -5.285 -10.135 1.688
46 H LYS 11 H LYS 11 -4.773 -8.331 3.926
47 HA LYS 11 HA LYS 11 -7.086 -6.662 4.491
48 HB2 LYS 11 1HB LYS 11 -4.166 -6.159 4.052
49 HB3 LYS 11 2HB LYS 11 -5.309 -4.833 3.879
50 HG2 LYS 11 1HG LYS 11 -5.846 -4.821 6.111
51 HG3 LYS 11 2HG LYS 11 -5.396 -6.512 6.339
52 HD2 LYS 11 1HD LYS 11 -3.264 -4.586 5.572
53 HD3 LYS 11 2HD LYS 11 -3.878 -4.529 7.226
54 HE2 LYS 11 1HE LYS 11 -2.887 -7.037 5.880
55 HE3 LYS 11 2HE LYS 11 -1.882 -6.003 6.896
56 HZ1 LYS 11 3HZ LYS 11 -2.704 -6.965 8.697
57 HZ2 LYS 11 1HZ LYS 11 -3.539 -8.060 7.715
58 HZ3 LYS 11 2HZ LYS 11 -4.295 -6.637 8.228
59 HA PRO 12 HA PRO 12 -8.306 -6.068 0.310
60 HB2 PRO 12 1HB PRO 12 -9.403 -3.591 0.487
61 HB3 PRO 12 2HB PRO 12 -10.179 -5.034 1.148
62 HG2 PRO 12 1HG PRO 12 -8.558 -2.944 2.550
63 HG3 PRO 12 2HG PRO 12 -10.067 -3.720 3.063
64 HD2 PRO 12 1HD PRO 12 -7.647 -4.463 4.023
65 HD3 PRO 12 2HD PRO 12 -8.986 -5.611 3.817
66 H TYR 13 H TYR 13 -6.719 -3.239 1.791
67 HA TYR 13 HA TYR 13 -5.773 -2.299 -0.769
68 HB2 TYR 13 1HB TYR 13 -5.021 -1.316 1.989
69 HB3 TYR 13 2HB TYR 13 -4.800 -0.463 0.466
70 HD1 TYR 13 HD1 TYR 13 -7.217 -1.476 3.025
71 HD2 TYR 13 HD2 TYR 13 -6.674 0.610 -0.643
72 HE1 TYR 13 HE1 TYR 13 -9.425 -0.428 3.300
73 HE2 TYR 13 HE2 TYR 13 -8.880 1.665 -0.377
74 HH TYR 13 HH TYR 13 -10.857 1.086 2.509
75 H ASN 14 H ASN 14 -3.856 -2.693 -1.682
76 HA ASN 14 HA ASN 14 -1.620 -3.630 -0.069
77 HB2 ASN 14 1HB ASN 14 -2.553 -5.741 -0.608
78 HB3 ASN 14 2HB ASN 14 -2.913 -5.248 -2.260
79 HD21 ASN 14 1HD2 ASN 14 -0.848 -6.974 -0.361
80 HD22 ASN 14 2HD2 ASN 14 0.508 -7.068 -1.428
81 H CYS 15 H CYS 15 0.334 -3.029 -0.866
82 HA CYS 15 HA CYS 15 0.309 -1.272 -3.185
83 HB2 CYS 15 1HB CYS 15 1.416 -0.577 -1.066
84 HB3 CYS 15 2HB CYS 15 2.571 -1.889 -1.274
85 H LYS 16 H LYS 16 1.265 -1.685 -5.098
86 HA LYS 16 HA LYS 16 2.289 -4.386 -5.520
87 HB2 LYS 16 1HB LYS 16 1.482 -2.204 -7.447
88 HB3 LYS 16 2HB LYS 16 2.140 -3.756 -7.947
89 HG2 LYS 16 1HG LYS 16 -0.267 -3.658 -6.184
90 HG3 LYS 16 2HG LYS 16 -0.425 -3.389 -7.921
91 HD2 LYS 16 1HD LYS 16 0.344 -5.539 -8.439
92 HD3 LYS 16 2HD LYS 16 1.039 -5.773 -6.833
93 HE2 LYS 16 1HE LYS 16 -1.367 -5.597 -5.975
94 HE3 LYS 16 2HE LYS 16 -1.849 -5.819 -7.657
95 HZ1 LYS 16 3HZ LYS 16 0.049 -7.773 -7.033
96 HZ2 LYS 16 1HZ LYS 16 -1.589 -7.987 -7.399
97 HZ3 LYS 16 2HZ LYS 16 -1.103 -7.772 -5.794
98 H GLU 17 H GLU 17 3.344 -1.076 -5.464
99 HA GLU 17 HA GLU 17 5.681 -1.192 -6.948
100 HB2 GLU 17 1HB GLU 17 4.881 0.404 -4.533
101 HB3 GLU 17 2HB GLU 17 6.498 0.556 -5.207
102 HG2 GLU 17 1HG GLU 17 4.067 0.887 -6.921
103 HG3 GLU 17 2HG GLU 17 4.700 2.218 -5.953
104 H CYS 18 H CYS 18 5.442 -1.574 -3.406
105 HA CYS 18 HA CYS 18 8.002 -3.005 -3.450
106 HB2 CYS 18 1HB CYS 18 8.038 -2.625 -1.019
107 HB3 CYS 18 2HB CYS 18 7.860 -1.114 -1.905
108 H GLY 19 H GLY 19 4.673 -3.300 -2.262
109 HA2 GLY 19 1HA GLY 19 3.589 -5.475 -2.539
110 HA3 GLY 19 2HA GLY 19 5.116 -6.215 -2.079
111 H LYS 20 H LYS 20 3.239 -3.561 -0.633
112 HA LYS 20 HA LYS 20 3.338 -5.019 1.920
113 HB2 LYS 20 1HB LYS 20 3.358 -2.118 1.210
114 HB3 LYS 20 2HB LYS 20 2.666 -2.601 2.753
115 HG2 LYS 20 1HG LYS 20 4.821 -3.799 3.228
116 HG3 LYS 20 2HG LYS 20 5.481 -3.023 1.787
117 HD2 LYS 20 1HD LYS 20 6.130 -1.594 3.504
118 HD3 LYS 20 2HD LYS 20 4.671 -0.826 2.874
119 HE2 LYS 20 1HE LYS 20 4.243 -0.752 5.124
120 HE3 LYS 20 2HE LYS 20 3.494 -2.293 4.707
121 HZ1 LYS 20 3HZ LYS 20 5.530 -3.412 5.423
122 HZ2 LYS 20 1HZ LYS 20 4.840 -2.515 6.681
123 HZ3 LYS 20 2HZ LYS 20 6.202 -1.925 5.870
124 H SER 21 H SER 21 1.413 -3.991 3.389
125 HA SER 21 HA SER 21 -1.076 -4.130 1.840
126 HB2 SER 21 1HB SER 21 -0.309 -5.848 4.193
127 HB3 SER 21 2HB SER 21 -1.997 -5.553 3.779
128 HG SER 21 HG SER 21 -0.340 -7.317 2.707
129 H PHE 22 H PHE 22 -2.968 -3.360 3.054
130 HA PHE 22 HA PHE 22 -2.490 -1.804 5.442
131 HB2 PHE 22 1HB PHE 22 -3.194 -0.470 2.822
132 HB3 PHE 22 2HB PHE 22 -3.344 0.309 4.394
133 HD1 PHE 22 HD2 PHE 22 -0.975 -1.057 1.935
134 HD2 PHE 22 HD1 PHE 22 -1.442 1.151 5.544
135 HE1 PHE 22 HE2 PHE 22 1.377 -0.349 1.802
136 HE2 PHE 22 HE1 PHE 22 0.910 1.862 5.417
137 HZ PHE 22 HZ PHE 22 2.323 1.112 3.545
138 H ARG 23 H ARG 23 -4.363 -1.308 6.559
139 HA ARG 23 HA ARG 23 -6.673 -2.868 5.836
140 HB2 ARG 23 1HB ARG 23 -5.687 -2.435 8.203
141 HB3 ARG 23 2HB ARG 23 -6.589 -0.928 8.125
142 HG2 ARG 23 1HG ARG 23 -8.651 -2.028 8.061
143 HG3 ARG 23 2HG ARG 23 -7.910 -3.572 7.632
144 HD2 ARG 23 1HD ARG 23 -7.579 -2.140 10.267
145 HD3 ARG 23 2HD ARG 23 -8.654 -3.508 9.976
146 HE ARG 23 HE ARG 23 -5.921 -4.047 9.292
147 HH11 ARG 23 1HH1 ARG 23 -8.249 -3.976 11.879
148 HH12 ARG 23 2HH1 ARG 23 -7.401 -5.134 12.849
149 HH21 ARG 23 1HH2 ARG 23 -4.795 -5.572 10.560
150 HH22 ARG 23 2HH2 ARG 23 -5.436 -6.041 12.098
151 H TRP 24 H TRP 24 -5.907 0.574 6.176
152 HA TRP 24 HA TRP 24 -8.489 1.214 4.915
153 HB2 TRP 24 1HB TRP 24 -6.685 2.827 6.716
154 HB3 TRP 24 2HB TRP 24 -7.994 3.558 5.791
155 HD1 TRP 24 HD1 TRP 24 -7.348 2.241 9.106
156 HE1 TRP 24 HE1 TRP 24 -9.531 1.638 10.329
157 HE3 TRP 24 HE3 TRP 24 -10.551 2.295 5.122
158 HZ2 TRP 24 HZ2 TRP 24 -12.251 1.237 9.688
159 HZ3 TRP 24 HZ3 TRP 24 -12.927 1.790 5.512
160 HH2 TRP 24 HH2 TRP 24 -13.758 1.272 7.749
161 H ALA 25 H ALA 25 -8.476 3.095 3.431
162 HA ALA 25 HA ALA 25 -6.550 2.735 1.384
163 HB1 ALA 25 3HB ALA 25 -8.733 4.757 1.803
164 HB2 ALA 25 1HB ALA 25 -7.674 4.786 0.393
165 HB3 ALA 25 2HB ALA 25 -8.703 3.385 0.695
166 H SER 26 H SER 26 -7.278 5.686 3.259
167 HA SER 26 HA SER 26 -5.228 7.287 2.518
168 HB2 SER 26 1HB SER 26 -6.193 6.942 5.368
169 HB3 SER 26 2HB SER 26 -5.349 8.351 4.726
170 HG SER 26 HG SER 26 -7.946 7.421 4.117
171 H CYS 27 H CYS 27 -5.026 5.029 5.274
172 HA CYS 27 HA CYS 27 -2.492 5.325 6.109
173 HB2 CYS 27 1HB CYS 27 -4.026 2.773 5.644
174 HB3 CYS 27 2HB CYS 27 -2.440 2.777 6.407
175 HG CYS 27 HG CYS 27 -4.647 2.568 8.263
176 H LEU 28 H LEU 28 -3.403 3.334 3.302
177 HA LEU 28 HA LEU 28 -0.762 2.641 2.586
178 HB2 LEU 28 1HB LEU 28 -2.398 1.263 1.692
179 HB3 LEU 28 2HB LEU 28 -3.398 2.620 1.178
180 HG LEU 28 HG LEU 28 -1.783 3.096 -0.623
181 HD11 LEU 28 1HD1 LEU 28 -0.313 0.906 0.723
182 HD12 LEU 28 2HD1 LEU 28 0.292 2.342 -0.101
183 HD13 LEU 28 3HD1 LEU 28 -0.261 0.954 -1.039
184 HD21 LEU 28 3HD2 LEU 28 -3.543 0.849 -0.406
185 HD22 LEU 28 1HD2 LEU 28 -2.184 0.437 -1.452
186 HD23 LEU 28 2HD2 LEU 28 -3.179 1.848 -1.814
187 H LEU 29 H LEU 29 -2.954 5.164 1.379
188 HA LEU 29 HA LEU 29 -1.464 6.240 -0.645
189 HB2 LEU 29 1HB LEU 29 -3.742 6.954 0.151
190 HB3 LEU 29 2HB LEU 29 -2.928 7.900 1.395
191 HG LEU 29 HG LEU 29 -2.589 8.308 -1.575
192 HD11 LEU 29 1HD1 LEU 29 -4.482 9.444 0.412
193 HD12 LEU 29 2HD1 LEU 29 -4.716 9.081 -1.298
194 HD13 LEU 29 3HD1 LEU 29 -3.815 10.519 -0.818
195 HD21 LEU 29 3HD2 LEU 29 -0.687 9.243 -0.761
196 HD22 LEU 29 1HD2 LEU 29 -1.364 9.494 0.848
197 HD23 LEU 29 2HD2 LEU 29 -1.783 10.593 -0.467
198 H LYS 30 H LYS 30 -1.204 7.029 2.812
199 HA LYS 30 HA LYS 30 0.810 8.951 2.614
200 HB2 LYS 30 1HB LYS 30 -0.400 8.670 4.673
201 HB3 LYS 30 2HB LYS 30 0.156 7.009 4.833
202 HG2 LYS 30 1HG LYS 30 2.295 7.647 5.454
203 HG3 LYS 30 2HG LYS 30 2.119 9.264 4.767
204 HD2 LYS 30 1HD LYS 30 1.944 9.675 7.038
205 HD3 LYS 30 2HD LYS 30 0.252 9.537 6.555
206 HE2 LYS 30 1HE LYS 30 0.342 7.133 7.235
207 HE3 LYS 30 2HE LYS 30 1.956 7.430 7.877
208 HZ1 LYS 30 3HZ LYS 30 0.084 9.347 8.838
209 HZ2 LYS 30 1HZ LYS 30 1.101 8.311 9.708
210 HZ3 LYS 30 2HZ LYS 30 -0.420 7.774 9.201
211 H HIS 31 H HIS 31 0.990 5.440 2.748
212 HA HIS 31 HA HIS 31 3.791 5.253 3.099
213 HB2 HIS 31 1HB HIS 31 2.747 3.258 3.594
214 HB3 HIS 31 2HB HIS 31 1.625 3.386 2.242
215 HD1 HIS 31 HD1 HIS 31 5.358 2.813 2.736
216 HD2 HIS 31 HD2 HIS 31 2.246 1.717 0.212
217 HE1 HIS 31 HE1 HIS 31 6.351 1.158 1.124
218 H GLN 32 H GLN 32 1.724 5.329 0.233
219 HA GLN 32 HA GLN 32 3.470 4.682 -1.763
220 HB2 GLN 32 1HB GLN 32 1.391 6.874 -1.751
221 HB3 GLN 32 2HB GLN 32 2.197 6.291 -3.202
222 HG2 GLN 32 1HG GLN 32 1.287 4.046 -2.778
223 HG3 GLN 32 2HG GLN 32 0.434 4.679 -1.371
224 HE21 GLN 32 1HE2 GLN 32 -1.606 4.291 -2.106
225 HE22 GLN 32 2HE2 GLN 32 -2.307 5.109 -3.456
226 H ARG 33 H ARG 33 3.506 7.512 0.238
227 HA ARG 33 HA ARG 33 4.882 9.371 -1.210
228 HB2 ARG 33 1HB ARG 33 5.205 8.599 1.690
229 HB3 ARG 33 2HB ARG 33 5.983 10.008 0.982
230 HG2 ARG 33 1HG ARG 33 3.730 10.848 0.340
231 HG3 ARG 33 2HG ARG 33 3.030 9.499 1.237
232 HD2 ARG 33 1HD ARG 33 4.736 11.732 2.325
233 HD3 ARG 33 2HD ARG 33 3.027 11.440 2.646
234 HE ARG 33 HE ARG 33 4.714 9.248 3.406
235 HH11 ARG 33 1HH1 ARG 33 3.413 12.320 4.402
236 HH12 ARG 33 2HH1 ARG 33 3.562 11.981 6.095
237 HH21 ARG 33 1HH2 ARG 33 4.914 8.790 5.632
238 HH22 ARG 33 2HH2 ARG 33 4.417 9.974 6.793
239 H VAL 34 H VAL 34 6.278 6.610 0.536
240 HA VAL 34 HA VAL 34 8.965 7.098 0.105
241 HB VAL 34 HB VAL 34 9.331 4.687 0.326
242 HG11 VAL 34 1HG1 VAL 34 7.562 4.521 2.400
243 HG12 VAL 34 2HG1 VAL 34 9.129 5.329 2.464
244 HG13 VAL 34 3HG1 VAL 34 7.667 6.262 2.145
245 HG21 VAL 34 3HG2 VAL 34 6.652 3.804 0.769
246 HG22 VAL 34 1HG2 VAL 34 6.766 4.517 -0.840
247 HG23 VAL 34 2HG2 VAL 34 7.842 3.197 -0.382
248 H HIS 35 H HIS 35 6.547 5.915 -2.112
249 HA HIS 35 HA HIS 35 8.537 5.221 -4.121
250 HB2 HIS 35 1HB HIS 35 5.515 5.100 -4.190
251 HB3 HIS 35 2HB HIS 35 6.575 4.540 -5.480
252 HD1 HIS 35 HD1 HIS 35 8.496 2.725 -4.362
253 HD2 HIS 35 HD2 HIS 35 4.704 3.020 -2.689
254 HE1 HIS 35 HE1 HIS 35 8.156 0.585 -3.086
255 H SER 36 H SER 36 6.166 7.707 -3.429
256 HA SER 36 HA SER 36 5.998 8.984 -5.879
257 HB2 SER 36 1HB SER 36 4.641 9.570 -3.882
258 HB3 SER 36 2HB SER 36 6.064 10.322 -3.163
259 HG SER 36 HG SER 36 5.585 12.033 -4.261
260 H GLY 37 H GLY 37 7.963 8.986 -6.969
261 HA2 GLY 37 1HA GLY 37 9.510 11.063 -7.278
262 HA3 GLY 37 2HA GLY 37 10.177 10.486 -5.759
263 H GLU 38 H GLU 38 12.210 10.212 -6.795
264 HA GLU 38 HA GLU 38 12.366 7.695 -8.295
265 HB2 GLU 38 1HB GLU 38 12.550 9.847 -9.739
266 HB3 GLU 38 2HB GLU 38 14.146 10.002 -9.018
267 HG2 GLU 38 1HG GLU 38 14.148 8.892 -11.226
268 HG3 GLU 38 2HG GLU 38 14.840 7.910 -9.936
269 H LYS 39 H LYS 39 13.583 6.337 -7.179
270 HA LYS 39 HA LYS 39 15.695 7.414 -5.442
271 HB2 LYS 39 1HB LYS 39 15.527 5.403 -4.153
272 HB3 LYS 39 2HB LYS 39 13.896 6.005 -4.415
273 HG2 LYS 39 1HG LYS 39 13.925 4.373 -6.449
274 HG3 LYS 39 2HG LYS 39 15.233 3.597 -5.552
275 HD2 LYS 39 1HD LYS 39 13.702 3.499 -3.574
276 HD3 LYS 39 2HD LYS 39 12.404 4.074 -4.623
277 HE2 LYS 39 1HE LYS 39 12.567 2.126 -6.001
278 HE3 LYS 39 2HE LYS 39 14.030 1.597 -5.172
279 HZ1 LYS 39 3HZ LYS 39 12.858 0.915 -3.343
280 HZ2 LYS 39 1HZ LYS 39 11.736 0.574 -4.563
281 HZ3 LYS 39 2HZ LYS 39 11.564 1.968 -3.621
282 HA PRO 40 HA PRO 40 18.827 5.771 -8.064
283 HB2 PRO 40 1HB PRO 40 20.830 5.529 -6.248
284 HB3 PRO 40 2HB PRO 40 20.295 7.088 -6.885
285 HG2 PRO 40 1HG PRO 40 19.603 5.764 -4.291
286 HG3 PRO 40 2HG PRO 40 20.008 7.461 -4.608
287 HD2 PRO 40 1HD PRO 40 17.458 6.607 -4.292
288 HD3 PRO 40 2HD PRO 40 17.888 7.958 -5.361
289 H SER 41 H SER 41 18.375 3.737 -8.746
290 HA SER 41 HA SER 41 19.651 1.536 -7.532
291 HB2 SER 41 1HB SER 41 17.822 0.245 -6.708
292 HB3 SER 41 2HB SER 41 17.658 1.847 -5.989
293 HG SER 41 HG SER 41 15.670 1.111 -6.810
294 H GLY 42 H GLY 42 19.974 -0.025 -9.019
295 HA2 GLY 42 1HA GLY 42 19.441 0.358 -11.700
296 HA3 GLY 42 2HA GLY 42 19.819 -1.203 -10.985
297 HA PRO 43 HA PRO 43 15.226 -0.692 -12.362
298 HB2 PRO 43 1HB PRO 43 15.360 -1.425 -14.973
299 HB3 PRO 43 2HB PRO 43 15.469 0.257 -14.440
300 HG2 PRO 43 1HG PRO 43 17.662 -1.637 -15.194
301 HG3 PRO 43 2HG PRO 43 17.467 0.074 -15.617
302 HD2 PRO 43 1HD PRO 43 19.120 -0.759 -13.640
303 HD3 PRO 43 2HD PRO 43 18.270 0.799 -13.581
304 H SER 44 H SER 44 14.682 -2.492 -11.212
305 HA SER 44 HA SER 44 15.159 -5.082 -12.527
306 HB2 SER 44 1HB SER 44 15.336 -4.472 -9.568
307 HB3 SER 44 2HB SER 44 15.308 -6.102 -10.240
308 HG SER 44 HG SER 44 17.166 -5.086 -11.584
309 H SER 45 H SER 45 13.160 -5.353 -13.392
310 HA SER 45 HA SER 45 10.743 -4.680 -12.066
311 HB2 SER 45 1HB SER 45 9.632 -5.844 -13.901
312 HB3 SER 45 2HB SER 45 10.945 -4.851 -14.532
313 HG SER 45 HG SER 45 10.798 -7.069 -15.354
314 H GLY 46 H GLY 46 12.426 -7.766 -12.601
315 HA2 GLY 46 1HA GLY 46 11.581 -8.844 -10.121
316 HA3 GLY 46 2HA GLY 46 10.568 -9.466 -11.415
Start of MODEL 9
1 H1 GLY 1 1H GLY 1 -7.308 -34.610 0.210
2 HA2 GLY 1 1HA GLY 1 -5.404 -33.474 1.735
3 HA3 GLY 1 2HA GLY 1 -4.503 -33.878 0.281
4 H SER 2 H SER 2 -6.479 -31.600 1.787
5 HA SER 2 HA SER 2 -6.313 -29.839 -0.481
6 HB2 SER 2 1HB SER 2 -8.639 -29.494 -0.861
7 HB3 SER 2 2HB SER 2 -8.398 -31.241 -0.881
8 HG SER 2 HG SER 2 -9.230 -31.356 1.189
9 H SER 3 H SER 3 -5.772 -27.938 0.336
10 HA SER 3 HA SER 3 -6.023 -27.357 3.116
11 HB2 SER 3 1HB SER 3 -5.048 -25.797 0.734
12 HB3 SER 3 2HB SER 3 -5.194 -25.041 2.321
13 HG SER 3 HG SER 3 -3.260 -26.652 1.396
14 H GLY 4 H GLY 4 -7.341 -25.679 0.249
15 HA2 GLY 4 1HA GLY 4 -9.220 -24.385 -0.008
16 HA3 GLY 4 2HA GLY 4 -9.969 -25.496 1.129
17 H SER 5 H SER 5 -7.299 -23.222 1.651
18 HA SER 5 HA SER 5 -8.908 -21.316 3.038
19 HB2 SER 5 1HB SER 5 -8.726 -23.280 4.666
20 HB3 SER 5 2HB SER 5 -7.014 -22.879 4.793
21 HG SER 5 HG SER 5 -8.310 -21.866 6.413
22 H SER 6 H SER 6 -7.936 -19.585 2.198
23 HA SER 6 HA SER 6 -5.020 -19.508 2.008
24 HB2 SER 6 1HB SER 6 -5.439 -17.409 0.687
25 HB3 SER 6 2HB SER 6 -6.159 -18.860 -0.011
26 HG SER 6 HG SER 6 -7.674 -17.204 -0.026
27 H GLY 7 H GLY 7 -5.897 -19.425 4.606
28 HA2 GLY 7 1HA GLY 7 -5.694 -18.219 6.549
29 HA3 GLY 7 2HA GLY 7 -4.609 -17.179 5.638
30 H THR 8 H THR 8 -8.118 -17.809 5.547
31 HA THR 8 HA THR 8 -9.074 -15.453 4.685
32 HB THR 8 HB THR 8 -10.746 -16.979 5.172
33 HG1 THR 8 HG1 THR 8 -11.834 -15.952 7.174
34 HG21 THR 8 3HG2 THR 8 -11.031 -17.782 7.637
35 HG22 THR 8 1HG2 THR 8 -9.339 -17.312 7.792
36 HG23 THR 8 2HG2 THR 8 -9.810 -18.535 6.612
37 H GLY 9 H GLY 9 -8.535 -13.430 5.173
38 HA2 GLY 9 1HA GLY 9 -9.044 -11.778 7.045
39 HA3 GLY 9 2HA GLY 9 -7.949 -12.777 7.989
40 H GLU 10 H GLU 10 -8.099 -10.871 4.992
41 HA GLU 10 HA GLU 10 -5.386 -9.917 5.568
42 HB2 GLU 10 1HB GLU 10 -5.601 -11.806 3.750
43 HB3 GLU 10 2HB GLU 10 -6.151 -10.482 2.732
44 HG2 GLU 10 1HG GLU 10 -3.998 -9.293 3.520
45 HG3 GLU 10 2HG GLU 10 -3.474 -10.911 3.984
46 H LYS 11 H LYS 11 -4.932 -7.829 4.865
47 HA LYS 11 HA LYS 11 -7.063 -6.016 4.828
48 HB2 LYS 11 1HB LYS 11 -4.183 -5.704 3.976
49 HB3 LYS 11 2HB LYS 11 -5.316 -4.361 4.061
50 HG2 LYS 11 1HG LYS 11 -5.377 -4.375 6.351
51 HG3 LYS 11 2HG LYS 11 -4.951 -6.084 6.461
52 HD2 LYS 11 1HD LYS 11 -2.667 -5.473 5.625
53 HD3 LYS 11 2HD LYS 11 -3.131 -3.777 5.786
54 HE2 LYS 11 1HE LYS 11 -3.797 -4.588 8.223
55 HE3 LYS 11 2HE LYS 11 -2.576 -5.813 7.880
56 HZ1 LYS 11 3HZ LYS 11 -0.967 -4.341 8.203
57 HZ2 LYS 11 1HZ LYS 11 -2.131 -3.255 8.776
58 HZ3 LYS 11 2HZ LYS 11 -1.669 -3.218 7.149
59 HA PRO 12 HA PRO 12 -8.456 -6.077 0.653
60 HB2 PRO 12 1HB PRO 12 -9.538 -3.591 0.518
61 HB3 PRO 12 2HB PRO 12 -10.293 -4.920 1.406
62 HG2 PRO 12 1HG PRO 12 -8.614 -2.666 2.437
63 HG3 PRO 12 2HG PRO 12 -10.106 -3.349 3.110
64 HD2 PRO 12 1HD PRO 12 -7.654 -3.970 4.076
65 HD3 PRO 12 2HD PRO 12 -9.003 -5.124 4.083
66 H TYR 13 H TYR 13 -6.642 -3.221 1.728
67 HA TYR 13 HA TYR 13 -5.820 -2.641 -1.002
68 HB2 TYR 13 1HB TYR 13 -4.987 -1.208 1.523
69 HB3 TYR 13 2HB TYR 13 -4.881 -0.613 -0.130
70 HD1 TYR 13 HD2 TYR 13 -6.894 0.136 -1.313
71 HD2 TYR 13 HD1 TYR 13 -7.066 -1.144 2.741
72 HE1 TYR 13 HE2 TYR 13 -9.110 1.179 -1.084
73 HE2 TYR 13 HE1 TYR 13 -9.283 -0.106 2.981
74 HH TYR 13 HH TYR 13 -10.526 2.096 0.809
75 H ASN 14 H ASN 14 -3.767 -2.850 -1.793
76 HA ASN 14 HA ASN 14 -1.623 -3.749 -0.045
77 HB2 ASN 14 1HB ASN 14 -1.158 -5.626 -1.792
78 HB3 ASN 14 2HB ASN 14 -2.370 -5.898 -0.543
79 HD21 ASN 14 1HD2 ASN 14 -4.045 -6.933 -1.321
80 HD22 ASN 14 2HD2 ASN 14 -4.770 -6.691 -2.870
81 H CYS 15 H CYS 15 0.126 -2.632 -0.570
82 HA CYS 15 HA CYS 15 0.284 -1.067 -2.936
83 HB2 CYS 15 1HB CYS 15 1.343 -0.507 -0.715
84 HB3 CYS 15 2HB CYS 15 2.550 -1.744 -1.055
85 H LYS 16 H LYS 16 1.032 -1.577 -4.883
86 HA LYS 16 HA LYS 16 2.152 -4.214 -5.330
87 HB2 LYS 16 1HB LYS 16 1.348 -1.996 -7.216
88 HB3 LYS 16 2HB LYS 16 2.025 -3.529 -7.749
89 HG2 LYS 16 1HG LYS 16 0.095 -4.608 -6.449
90 HG3 LYS 16 2HG LYS 16 -0.622 -2.995 -6.455
91 HD2 LYS 16 1HD LYS 16 -0.440 -2.964 -8.921
92 HD3 LYS 16 2HD LYS 16 0.184 -4.614 -8.872
93 HE2 LYS 16 1HE LYS 16 -1.858 -5.479 -8.106
94 HE3 LYS 16 2HE LYS 16 -2.453 -3.888 -7.635
95 HZ1 LYS 16 3HZ LYS 16 -3.310 -4.974 -9.797
96 HZ2 LYS 16 1HZ LYS 16 -1.845 -4.448 -10.460
97 HZ3 LYS 16 2HZ LYS 16 -2.927 -3.327 -9.802
98 H GLU 17 H GLU 17 3.179 -0.867 -5.379
99 HA GLU 17 HA GLU 17 5.508 -0.926 -6.799
100 HB2 GLU 17 1HB GLU 17 4.765 0.516 -4.272
101 HB3 GLU 17 2HB GLU 17 6.367 0.707 -4.970
102 HG2 GLU 17 1HG GLU 17 3.747 1.344 -6.303
103 HG3 GLU 17 2HG GLU 17 4.923 2.501 -5.682
104 H CYS 18 H CYS 18 5.371 -1.486 -3.275
105 HA CYS 18 HA CYS 18 7.908 -2.939 -3.467
106 HB2 CYS 18 1HB CYS 18 7.927 -2.739 -0.978
107 HB3 CYS 18 2HB CYS 18 7.902 -1.188 -1.810
108 H GLY 19 H GLY 19 4.594 -3.289 -2.271
109 HA2 GLY 19 1HA GLY 19 3.505 -5.446 -2.641
110 HA3 GLY 19 2HA GLY 19 5.033 -6.209 -2.229
111 H LYS 20 H LYS 20 3.212 -3.610 -0.627
112 HA LYS 20 HA LYS 20 3.253 -5.237 1.827
113 HB2 LYS 20 1HB LYS 20 3.454 -2.296 1.329
114 HB3 LYS 20 2HB LYS 20 2.761 -2.855 2.846
115 HG2 LYS 20 1HG LYS 20 4.802 -4.102 3.326
116 HG3 LYS 20 2HG LYS 20 5.497 -3.555 1.799
117 HD2 LYS 20 1HD LYS 20 6.399 -2.067 3.335
118 HD3 LYS 20 2HD LYS 20 5.009 -1.179 2.705
119 HE2 LYS 20 1HE LYS 20 3.688 -1.921 4.647
120 HE3 LYS 20 2HE LYS 20 5.110 -2.749 5.280
121 HZ1 LYS 20 3HZ LYS 20 4.477 0.085 5.248
122 HZ2 LYS 20 1HZ LYS 20 6.089 -0.307 4.916
123 HZ3 LYS 20 2HZ LYS 20 5.377 -0.812 6.365
124 H SER 21 H SER 21 1.408 -4.298 3.387
125 HA SER 21 HA SER 21 -1.092 -4.181 1.837
126 HB2 SER 21 1HB SER 21 -0.457 -5.935 4.212
127 HB3 SER 21 2HB SER 21 -2.108 -5.594 3.697
128 HG SER 21 HG SER 21 -1.010 -7.555 2.831
129 H PHE 22 H PHE 22 -2.895 -3.217 2.959
130 HA PHE 22 HA PHE 22 -2.332 -1.748 5.399
131 HB2 PHE 22 1HB PHE 22 -2.942 -0.381 2.775
132 HB3 PHE 22 2HB PHE 22 -3.111 0.408 4.340
133 HD1 PHE 22 HD2 PHE 22 -0.644 -1.322 2.171
134 HD2 PHE 22 HD1 PHE 22 -1.291 1.453 5.332
135 HE1 PHE 22 HE2 PHE 22 1.736 -0.703 2.109
136 HE2 PHE 22 HE1 PHE 22 1.089 2.078 5.275
137 HZ PHE 22 HZ PHE 22 2.606 0.998 3.663
138 H ARG 23 H ARG 23 -4.105 -1.528 6.635
139 HA ARG 23 HA ARG 23 -6.605 -2.601 5.608
140 HB2 ARG 23 1HB ARG 23 -5.431 -3.067 7.932
141 HB3 ARG 23 2HB ARG 23 -6.304 -1.617 8.410
142 HG2 ARG 23 1HG ARG 23 -8.385 -2.762 7.501
143 HG3 ARG 23 2HG ARG 23 -7.416 -4.237 7.468
144 HD2 ARG 23 1HD ARG 23 -8.447 -4.353 9.539
145 HD3 ARG 23 2HD ARG 23 -6.876 -3.653 9.928
146 HE ARG 23 HE ARG 23 -8.927 -1.701 9.426
147 HH11 ARG 23 1HH1 ARG 23 -7.435 -3.744 11.817
148 HH12 ARG 23 2HH1 ARG 23 -7.927 -2.759 13.155
149 HH21 ARG 23 1HH2 ARG 23 -9.580 -0.396 11.179
150 HH22 ARG 23 2HH2 ARG 23 -9.148 -0.855 12.791
151 H TRP 24 H TRP 24 -5.783 -0.049 4.607
152 HA TRP 24 HA TRP 24 -8.196 1.386 4.901
153 HB2 TRP 24 1HB TRP 24 -5.897 2.211 6.605
154 HB3 TRP 24 2HB TRP 24 -6.836 3.485 5.832
155 HD1 TRP 24 HD1 TRP 24 -6.735 1.620 8.938
156 HE1 TRP 24 HE1 TRP 24 -8.987 1.723 10.180
157 HE3 TRP 24 HE3 TRP 24 -9.679 3.358 5.137
158 HZ2 TRP 24 HZ2 TRP 24 -11.658 2.445 9.622
159 HZ3 TRP 24 HZ3 TRP 24 -12.072 3.727 5.574
160 HH2 TRP 24 HH2 TRP 24 -13.040 3.279 7.770
161 H ALA 25 H ALA 25 -8.394 3.053 3.397
162 HA ALA 25 HA ALA 25 -6.688 2.878 1.138
163 HB1 ALA 25 3HB ALA 25 -8.065 4.851 0.331
164 HB2 ALA 25 1HB ALA 25 -8.949 3.373 0.711
165 HB3 ALA 25 2HB ALA 25 -8.953 4.721 1.849
166 H SER 26 H SER 26 -7.125 5.337 3.656
167 HA SER 26 HA SER 26 -5.313 7.214 2.574
168 HB2 SER 26 1HB SER 26 -6.302 6.794 5.401
169 HB3 SER 26 2HB SER 26 -5.309 8.164 4.907
170 HG SER 26 HG SER 26 -7.237 8.985 4.553
171 H CYS 27 H CYS 27 -4.922 4.831 5.193
172 HA CYS 27 HA CYS 27 -2.331 5.280 5.920
173 HB2 CYS 27 1HB CYS 27 -4.091 3.436 6.639
174 HB3 CYS 27 2HB CYS 27 -3.162 2.439 5.527
175 HG CYS 27 HG CYS 27 -0.777 3.581 7.110
176 H LEU 28 H LEU 28 -3.398 3.176 3.254
177 HA LEU 28 HA LEU 28 -0.849 2.416 2.381
178 HB2 LEU 28 1HB LEU 28 -2.571 1.135 1.524
179 HB3 LEU 28 2HB LEU 28 -3.547 2.543 1.110
180 HG LEU 28 HG LEU 28 -2.051 3.012 -0.779
181 HD11 LEU 28 1HD1 LEU 28 -0.558 0.713 0.380
182 HD12 LEU 28 2HD1 LEU 28 0.044 2.218 -0.313
183 HD13 LEU 28 3HD1 LEU 28 -0.554 0.938 -1.369
184 HD21 LEU 28 3HD2 LEU 28 -2.777 0.145 -1.102
185 HD22 LEU 28 1HD2 LEU 28 -3.052 1.512 -2.183
186 HD23 LEU 28 2HD2 LEU 28 -4.060 1.304 -0.750
187 H LEU 29 H LEU 29 -2.920 5.119 1.392
188 HA LEU 29 HA LEU 29 -1.400 6.119 -0.697
189 HB2 LEU 29 1HB LEU 29 -3.153 7.473 1.330
190 HB3 LEU 29 2HB LEU 29 -2.364 8.371 0.035
191 HG LEU 29 HG LEU 29 -4.315 6.108 -0.381
192 HD11 LEU 29 1HD1 LEU 29 -5.418 8.452 -1.350
193 HD12 LEU 29 2HD1 LEU 29 -4.718 8.917 0.201
194 HD13 LEU 29 3HD1 LEU 29 -5.887 7.599 0.121
195 HD21 LEU 29 3HD2 LEU 29 -3.882 7.982 -2.554
196 HD22 LEU 29 1HD2 LEU 29 -3.845 6.219 -2.556
197 HD23 LEU 29 2HD2 LEU 29 -2.406 7.130 -2.099
198 H LYS 30 H LYS 30 -1.321 7.274 2.680
199 HA LYS 30 HA LYS 30 0.753 9.033 2.553
200 HB2 LYS 30 1HB LYS 30 0.132 7.055 4.751
201 HB3 LYS 30 2HB LYS 30 1.258 8.394 4.928
202 HG2 LYS 30 1HG LYS 30 -0.613 9.946 4.372
203 HG3 LYS 30 2HG LYS 30 -1.703 8.558 4.419
204 HD2 LYS 30 1HD LYS 30 -1.850 9.563 6.550
205 HD3 LYS 30 2HD LYS 30 -0.836 8.133 6.764
206 HE2 LYS 30 1HE LYS 30 0.204 9.909 7.952
207 HE3 LYS 30 2HE LYS 30 1.160 9.634 6.497
208 HZ1 LYS 30 3HZ LYS 30 0.096 12.022 7.337
209 HZ2 LYS 30 1HZ LYS 30 -0.884 11.556 6.039
210 HZ3 LYS 30 2HZ LYS 30 0.787 11.700 5.827
211 H HIS 31 H HIS 31 0.982 5.514 2.779
212 HA HIS 31 HA HIS 31 3.778 5.361 3.088
213 HB2 HIS 31 1HB HIS 31 2.754 3.357 3.593
214 HB3 HIS 31 2HB HIS 31 1.632 3.467 2.240
215 HD1 HIS 31 HD1 HIS 31 5.300 2.743 2.887
216 HD2 HIS 31 HD2 HIS 31 2.342 1.988 0.069
217 HE1 HIS 31 HE1 HIS 31 6.329 1.140 1.245
218 H GLN 32 H GLN 32 1.718 5.247 0.200
219 HA GLN 32 HA GLN 32 3.457 4.654 -1.782
220 HB2 GLN 32 1HB GLN 32 1.399 6.867 -1.810
221 HB3 GLN 32 2HB GLN 32 2.176 6.212 -3.245
222 HG2 GLN 32 1HG GLN 32 1.223 4.011 -2.743
223 HG3 GLN 32 2HG GLN 32 0.419 4.694 -1.331
224 HE21 GLN 32 1HE2 GLN 32 -1.666 4.527 -1.879
225 HE22 GLN 32 2HE2 GLN 32 -2.381 5.246 -3.278
226 H ARG 33 H ARG 33 3.526 7.475 0.217
227 HA ARG 33 HA ARG 33 4.950 9.278 -1.323
228 HB2 ARG 33 1HB ARG 33 4.878 8.729 1.626
229 HB3 ARG 33 2HB ARG 33 5.970 9.945 0.978
230 HG2 ARG 33 1HG ARG 33 3.938 10.984 -0.120
231 HG3 ARG 33 2HG ARG 33 2.971 9.907 0.890
232 HD2 ARG 33 1HD ARG 33 3.917 10.867 2.892
233 HD3 ARG 33 2HD ARG 33 5.018 11.858 1.936
234 HE ARG 33 HE ARG 33 2.310 12.446 2.566
235 HH11 ARG 33 1HH1 ARG 33 4.720 12.793 0.078
236 HH12 ARG 33 2HH1 ARG 33 4.008 14.222 -0.595
237 HH21 ARG 33 1HH2 ARG 33 1.363 14.327 1.690
238 HH22 ARG 33 2HH2 ARG 33 2.099 15.094 0.323
239 H VAL 34 H VAL 34 6.172 6.607 0.661
240 HA VAL 34 HA VAL 34 8.887 7.044 0.479
241 HB VAL 34 HB VAL 34 9.172 4.588 0.685
242 HG11 VAL 34 1HG1 VAL 34 7.164 5.978 2.436
243 HG12 VAL 34 2HG1 VAL 34 7.790 4.370 2.805
244 HG13 VAL 34 3HG1 VAL 34 8.889 5.747 2.716
245 HG21 VAL 34 3HG2 VAL 34 7.618 3.160 -0.012
246 HG22 VAL 34 1HG2 VAL 34 6.418 3.889 1.054
247 HG23 VAL 34 2HG2 VAL 34 6.658 4.529 -0.572
248 H HIS 35 H HIS 35 6.687 6.030 -1.992
249 HA HIS 35 HA HIS 35 8.849 5.213 -3.774
250 HB2 HIS 35 1HB HIS 35 5.848 5.210 -4.153
251 HB3 HIS 35 2HB HIS 35 7.009 4.623 -5.339
252 HD1 HIS 35 HD1 HIS 35 8.691 2.670 -4.185
253 HD2 HIS 35 HD2 HIS 35 4.872 3.207 -2.640
254 HE1 HIS 35 HE1 HIS 35 8.163 0.547 -2.945
255 H SER 36 H SER 36 6.598 7.830 -3.260
256 HA SER 36 HA SER 36 7.368 9.117 -5.764
257 HB2 SER 36 1HB SER 36 4.967 9.063 -4.922
258 HB3 SER 36 2HB SER 36 5.475 10.199 -3.673
259 HG SER 36 HG SER 36 4.701 11.380 -5.391
260 H GLY 37 H GLY 37 9.506 9.698 -5.386
261 HA2 GLY 37 1HA GLY 37 9.890 11.736 -3.279
262 HA3 GLY 37 2HA GLY 37 11.144 10.603 -3.762
263 H GLU 38 H GLU 38 12.646 11.419 -5.046
264 HA GLU 38 HA GLU 38 12.104 13.904 -6.471
265 HB2 GLU 38 1HB GLU 38 14.675 12.387 -5.997
266 HB3 GLU 38 2HB GLU 38 14.564 13.905 -6.877
267 HG2 GLU 38 1HG GLU 38 13.985 15.110 -4.958
268 HG3 GLU 38 2HG GLU 38 13.583 13.648 -4.058
269 H LYS 39 H LYS 39 11.115 13.573 -8.371
270 HA LYS 39 HA LYS 39 12.074 11.409 -10.109
271 HB2 LYS 39 1HB LYS 39 9.993 11.749 -11.373
272 HB3 LYS 39 2HB LYS 39 9.674 11.407 -9.677
273 HG2 LYS 39 1HG LYS 39 9.540 13.953 -9.394
274 HG3 LYS 39 2HG LYS 39 9.405 13.998 -11.154
275 HD2 LYS 39 1HD LYS 39 7.374 12.849 -11.146
276 HD3 LYS 39 2HD LYS 39 7.629 12.221 -9.516
277 HE2 LYS 39 1HE LYS 39 6.015 13.892 -9.249
278 HE3 LYS 39 2HE LYS 39 7.523 14.662 -8.759
279 HZ1 LYS 39 3HZ LYS 39 5.763 15.623 -10.599
280 HZ2 LYS 39 1HZ LYS 39 6.994 14.964 -11.555
281 HZ3 LYS 39 2HZ LYS 39 7.361 16.139 -10.395
282 HA PRO 40 HA PRO 40 14.120 14.256 -12.770
283 HB2 PRO 40 1HB PRO 40 14.095 12.804 -15.063
284 HB3 PRO 40 2HB PRO 40 15.148 12.422 -13.696
285 HG2 PRO 40 1HG PRO 40 12.535 11.188 -14.476
286 HG3 PRO 40 2HG PRO 40 14.022 10.400 -13.917
287 HD2 PRO 40 1HD PRO 40 11.905 10.842 -12.287
288 HD3 PRO 40 2HD PRO 40 13.581 10.859 -11.702
289 H SER 41 H SER 41 13.373 16.030 -13.733
290 HA SER 41 HA SER 41 10.906 15.830 -15.334
291 HB2 SER 41 1HB SER 41 11.827 17.957 -13.414
292 HB3 SER 41 2HB SER 41 10.652 18.319 -14.679
293 HG SER 41 HG SER 41 9.382 16.570 -13.809
294 H GLY 42 H GLY 42 10.857 16.799 -17.315
295 HA2 GLY 42 1HA GLY 42 13.363 18.103 -18.186
296 HA3 GLY 42 2HA GLY 42 12.443 17.013 -19.213
297 HA PRO 43 HA PRO 43 11.215 21.483 -19.980
298 HB2 PRO 43 1HB PRO 43 11.902 21.530 -22.607
299 HB3 PRO 43 2HB PRO 43 13.030 21.946 -21.311
300 HG2 PRO 43 1HG PRO 43 12.745 19.377 -22.821
301 HG3 PRO 43 2HG PRO 43 14.221 20.242 -22.352
302 HD2 PRO 43 1HD PRO 43 13.293 18.096 -20.986
303 HD3 PRO 43 2HD PRO 43 14.164 19.427 -20.197
304 H SER 44 H SER 44 10.305 18.408 -20.783
305 HA SER 44 HA SER 44 8.411 18.976 -22.861
306 HB2 SER 44 1HB SER 44 7.665 16.668 -22.529
307 HB3 SER 44 2HB SER 44 9.426 16.739 -22.598
308 HG SER 44 HG SER 44 7.803 15.927 -20.574
309 H SER 45 H SER 45 7.782 20.865 -21.199
310 HA SER 45 HA SER 45 5.646 19.950 -19.420
311 HB2 SER 45 1HB SER 45 7.427 21.665 -18.723
312 HB3 SER 45 2HB SER 45 6.563 22.803 -19.758
313 HG SER 45 HG SER 45 4.667 21.874 -18.395
314 H GLY 46 H GLY 46 6.087 22.544 -21.838
315 HA2 GLY 46 1HA GLY 46 4.665 23.292 -23.491
316 HA3 GLY 46 2HA GLY 46 3.679 21.864 -23.215
Start of MODEL 10
1 H1 GLY 1 1H GLY 1 -11.578 -22.973 4.427
2 HA2 GLY 1 1HA GLY 1 -10.581 -24.780 2.690
3 HA3 GLY 1 2HA GLY 1 -12.310 -25.071 2.572
4 H SER 2 H SER 2 -10.225 -22.182 2.757
5 HA SER 2 HA SER 2 -11.780 -21.046 0.533
6 HB2 SER 2 1HB SER 2 -10.979 -18.847 1.322
7 HB3 SER 2 2HB SER 2 -11.847 -19.715 2.588
8 HG SER 2 HG SER 2 -9.040 -19.434 2.299
9 H SER 3 H SER 3 -10.579 -22.155 -1.077
10 HA SER 3 HA SER 3 -8.767 -22.617 -2.425
11 HB2 SER 3 1HB SER 3 -7.906 -20.588 -3.506
12 HB3 SER 3 2HB SER 3 -9.653 -20.485 -3.288
13 HG SER 3 HG SER 3 -9.132 -18.631 -2.415
14 H GLY 4 H GLY 4 -8.065 -22.993 0.268
15 HA2 GLY 4 1HA GLY 4 -6.063 -23.546 1.312
16 HA3 GLY 4 2HA GLY 4 -5.199 -22.670 0.057
17 H SER 5 H SER 5 -3.916 -21.976 1.963
18 HA SER 5 HA SER 5 -4.828 -19.375 2.825
19 HB2 SER 5 1HB SER 5 -4.519 -21.670 4.739
20 HB3 SER 5 2HB SER 5 -4.207 -20.018 5.271
21 HG SER 5 HG SER 5 -6.500 -21.133 5.252
22 H SER 6 H SER 6 -3.102 -18.264 4.149
23 HA SER 6 HA SER 6 -0.451 -19.260 4.178
24 HB2 SER 6 1HB SER 6 0.568 -18.099 2.389
25 HB3 SER 6 2HB SER 6 -0.881 -18.816 1.685
26 HG SER 6 HG SER 6 -1.793 -16.604 2.406
27 H GLY 7 H GLY 7 0.599 -18.192 5.727
28 HA2 GLY 7 1HA GLY 7 1.066 -16.616 7.329
29 HA3 GLY 7 2HA GLY 7 0.749 -15.440 6.063
30 H THR 8 H THR 8 0.123 -14.458 8.342
31 HA THR 8 HA THR 8 -2.776 -14.882 8.677
32 HB THR 8 HB THR 8 -0.860 -13.904 10.801
33 HG1 THR 8 HG1 THR 8 -2.175 -16.418 10.755
34 HG21 THR 8 3HG2 THR 8 -3.738 -13.936 10.571
35 HG22 THR 8 1HG2 THR 8 -2.723 -13.221 11.823
36 HG23 THR 8 2HG2 THR 8 -3.205 -14.913 11.938
37 H GLY 9 H GLY 9 -3.895 -13.245 7.851
38 HA2 GLY 9 1HA GLY 9 -4.274 -10.778 8.500
39 HA3 GLY 9 2HA GLY 9 -2.668 -10.569 7.819
40 H GLU 10 H GLU 10 -5.886 -10.310 7.172
41 HA GLU 10 HA GLU 10 -5.422 -10.567 4.273
42 HB2 GLU 10 1HB GLU 10 -7.959 -10.947 4.169
43 HB3 GLU 10 2HB GLU 10 -6.956 -12.276 4.733
44 HG2 GLU 10 1HG GLU 10 -7.464 -11.456 7.083
45 HG3 GLU 10 2HG GLU 10 -8.713 -10.456 6.342
46 H LYS 11 H LYS 11 -5.038 -8.496 3.707
47 HA LYS 11 HA LYS 11 -6.987 -6.459 4.559
48 HB2 LYS 11 1HB LYS 11 -4.069 -6.303 3.877
49 HB3 LYS 11 2HB LYS 11 -5.089 -4.878 3.729
50 HG2 LYS 11 1HG LYS 11 -5.397 -4.690 5.987
51 HG3 LYS 11 2HG LYS 11 -5.146 -6.413 6.276
52 HD2 LYS 11 1HD LYS 11 -2.769 -6.166 5.888
53 HD3 LYS 11 2HD LYS 11 -2.986 -4.465 5.469
54 HE2 LYS 11 1HE LYS 11 -3.338 -3.834 7.645
55 HE3 LYS 11 2HE LYS 11 -3.964 -5.414 8.116
56 HZ1 LYS 11 3HZ LYS 11 -1.954 -6.053 8.760
57 HZ2 LYS 11 1HZ LYS 11 -1.433 -4.456 8.561
58 HZ3 LYS 11 2HZ LYS 11 -1.240 -5.571 7.304
59 HA PRO 12 HA PRO 12 -8.411 -6.147 0.405
60 HB2 PRO 12 1HB PRO 12 -9.408 -3.623 0.478
61 HB3 PRO 12 2HB PRO 12 -10.202 -4.992 1.264
62 HG2 PRO 12 1HG PRO 12 -8.441 -2.885 2.455
63 HG3 PRO 12 2HG PRO 12 -9.950 -3.569 3.086
64 HD2 PRO 12 1HD PRO 12 -7.514 -4.347 3.976
65 HD3 PRO 12 2HD PRO 12 -8.902 -5.452 3.905
66 H TYR 13 H TYR 13 -6.611 -3.335 1.647
67 HA TYR 13 HA TYR 13 -5.715 -2.666 -1.038
68 HB2 TYR 13 1HB TYR 13 -4.943 -1.309 1.546
69 HB3 TYR 13 2HB TYR 13 -4.832 -0.657 -0.085
70 HD1 TYR 13 HD2 TYR 13 -6.829 0.135 -1.248
71 HD2 TYR 13 HD1 TYR 13 -7.050 -1.348 2.734
72 HE1 TYR 13 HE2 TYR 13 -9.061 1.138 -1.005
73 HE2 TYR 13 HE1 TYR 13 -9.283 -0.350 2.988
74 HH TYR 13 HH TYR 13 -10.468 1.938 1.391
75 H ASN 14 H ASN 14 -3.759 -3.107 -1.854
76 HA ASN 14 HA ASN 14 -1.600 -3.938 -0.065
77 HB2 ASN 14 1HB ASN 14 -2.203 -5.559 -2.529
78 HB3 ASN 14 2HB ASN 14 -1.176 -5.980 -1.161
79 HD21 ASN 14 1HD2 ASN 14 -2.010 -7.189 0.395
80 HD22 ASN 14 2HD2 ASN 14 -3.688 -7.549 0.598
81 H CYS 15 H CYS 15 -0.000 -2.583 -0.516
82 HA CYS 15 HA CYS 15 0.254 -1.018 -2.797
83 HB2 CYS 15 1HB CYS 15 1.427 -0.709 -0.573
84 HB3 CYS 15 2HB CYS 15 2.569 -1.944 -1.093
85 H LYS 16 H LYS 16 1.083 -1.311 -4.777
86 HA LYS 16 HA LYS 16 1.990 -3.988 -5.488
87 HB2 LYS 16 1HB LYS 16 1.155 -1.587 -7.109
88 HB3 LYS 16 2HB LYS 16 1.872 -3.014 -7.847
89 HG2 LYS 16 1HG LYS 16 0.040 -4.336 -7.395
90 HG3 LYS 16 2HG LYS 16 -0.506 -3.307 -6.068
91 HD2 LYS 16 1HD LYS 16 -2.029 -2.882 -7.795
92 HD3 LYS 16 2HD LYS 16 -0.904 -1.524 -7.865
93 HE2 LYS 16 1HE LYS 16 -1.290 -2.280 -10.099
94 HE3 LYS 16 2HE LYS 16 0.348 -2.748 -9.642
95 HZ1 LYS 16 3HZ LYS 16 -2.008 -4.552 -9.543
96 HZ2 LYS 16 1HZ LYS 16 -0.399 -4.978 -9.241
97 HZ3 LYS 16 2HZ LYS 16 -0.874 -4.520 -10.798
98 H GLU 17 H GLU 17 3.226 -0.788 -5.045
99 HA GLU 17 HA GLU 17 5.521 -0.855 -6.620
100 HB2 GLU 17 1HB GLU 17 4.775 0.561 -4.093
101 HB3 GLU 17 2HB GLU 17 6.438 0.640 -4.659
102 HG2 GLU 17 1HG GLU 17 5.133 2.558 -5.404
103 HG3 GLU 17 2HG GLU 17 5.709 1.593 -6.762
104 H CYS 18 H CYS 18 5.459 -1.408 -3.096
105 HA CYS 18 HA CYS 18 7.904 -2.983 -3.335
106 HB2 CYS 18 1HB CYS 18 7.895 -2.897 -0.841
107 HB3 CYS 18 2HB CYS 18 7.917 -1.309 -1.599
108 H GLY 19 H GLY 19 4.550 -3.308 -2.273
109 HA2 GLY 19 1HA GLY 19 3.412 -5.407 -2.722
110 HA3 GLY 19 2HA GLY 19 4.917 -6.235 -2.350
111 H LYS 20 H LYS 20 3.318 -3.631 -0.556
112 HA LYS 20 HA LYS 20 3.303 -5.381 1.800
113 HB2 LYS 20 1HB LYS 20 3.420 -2.417 1.413
114 HB3 LYS 20 2HB LYS 20 2.769 -3.058 2.915
115 HG2 LYS 20 1HG LYS 20 4.901 -4.370 3.153
116 HG3 LYS 20 2HG LYS 20 5.532 -3.436 1.795
117 HD2 LYS 20 1HD LYS 20 5.363 -1.401 3.003
118 HD3 LYS 20 2HD LYS 20 4.402 -2.157 4.276
119 HE2 LYS 20 1HE LYS 20 6.239 -3.279 5.162
120 HE3 LYS 20 2HE LYS 20 7.175 -3.118 3.677
121 HZ1 LYS 20 3HZ LYS 20 6.405 -0.755 5.275
122 HZ2 LYS 20 1HZ LYS 20 7.636 -0.894 4.123
123 HZ3 LYS 20 2HZ LYS 20 7.802 -1.641 5.631
124 H SER 21 H SER 21 1.440 -4.374 3.395
125 HA SER 21 HA SER 21 -1.067 -4.358 1.857
126 HB2 SER 21 1HB SER 21 -0.619 -5.933 4.403
127 HB3 SER 21 2HB SER 21 -2.097 -5.886 3.442
128 HG SER 21 HG SER 21 -0.435 -7.690 3.163
129 H PHE 22 H PHE 22 -2.869 -3.382 2.937
130 HA PHE 22 HA PHE 22 -2.344 -1.899 5.380
131 HB2 PHE 22 1HB PHE 22 -3.038 -0.525 2.776
132 HB3 PHE 22 2HB PHE 22 -3.063 0.252 4.355
133 HD1 PHE 22 HD2 PHE 22 -0.829 -1.506 1.971
134 HD2 PHE 22 HD1 PHE 22 -1.136 1.216 5.229
135 HE1 PHE 22 HE2 PHE 22 1.557 -0.953 1.730
136 HE2 PHE 22 HE1 PHE 22 1.248 1.774 4.992
137 HZ PHE 22 HZ PHE 22 2.599 0.688 3.242
138 H ARG 23 H ARG 23 -4.238 -1.101 6.395
139 HA ARG 23 HA ARG 23 -6.611 -2.622 5.694
140 HB2 ARG 23 1HB ARG 23 -5.603 -2.276 8.070
141 HB3 ARG 23 2HB ARG 23 -6.430 -0.725 8.012
142 HG2 ARG 23 1HG ARG 23 -8.551 -1.752 7.858
143 HG3 ARG 23 2HG ARG 23 -7.838 -3.334 7.532
144 HD2 ARG 23 1HD ARG 23 -6.703 -2.955 9.864
145 HD3 ARG 23 2HD ARG 23 -8.037 -1.827 10.099
146 HE ARG 23 HE ARG 23 -9.255 -4.096 9.241
147 HH11 ARG 23 1HH1 ARG 23 -7.022 -3.368 11.810
148 HH12 ARG 23 2HH1 ARG 23 -7.615 -4.617 12.855
149 HH21 ARG 23 1HH2 ARG 23 -10.045 -5.742 10.607
150 HH22 ARG 23 2HH2 ARG 23 -9.334 -5.967 12.170
151 H TRP 24 H TRP 24 -5.889 0.787 6.464
152 HA TRP 24 HA TRP 24 -8.354 1.588 5.115
153 HB2 TRP 24 1HB TRP 24 -6.390 3.129 6.820
154 HB3 TRP 24 2HB TRP 24 -7.791 3.857 6.038
155 HD1 TRP 24 HD1 TRP 24 -6.800 2.448 9.244
156 HE1 TRP 24 HE1 TRP 24 -8.850 1.830 10.672
157 HE3 TRP 24 HE3 TRP 24 -10.403 2.658 5.624
158 HZ2 TRP 24 HZ2 TRP 24 -11.627 1.477 10.311
159 HZ3 TRP 24 HZ3 TRP 24 -12.732 2.166 6.248
160 HH2 TRP 24 HH2 TRP 24 -13.329 1.587 8.543
161 H ALA 25 H ALA 25 -8.415 2.958 3.351
162 HA ALA 25 HA ALA 25 -6.460 2.700 1.403
163 HB1 ALA 25 3HB ALA 25 -8.856 3.402 1.082
164 HB2 ALA 25 1HB ALA 25 -8.365 5.023 1.574
165 HB3 ALA 25 2HB ALA 25 -7.669 4.292 0.127
166 H SER 26 H SER 26 -7.165 5.638 3.308
167 HA SER 26 HA SER 26 -5.134 7.252 2.443
168 HB2 SER 26 1HB SER 26 -5.219 8.322 4.709
169 HB3 SER 26 2HB SER 26 -6.805 8.088 3.973
170 HG SER 26 HG SER 26 -6.665 5.977 5.248
171 H CYS 27 H CYS 27 -4.959 4.890 5.095
172 HA CYS 27 HA CYS 27 -2.388 5.308 5.962
173 HB2 CYS 27 1HB CYS 27 -4.232 3.573 6.690
174 HB3 CYS 27 2HB CYS 27 -3.339 2.491 5.628
175 HG CYS 27 HG CYS 27 -1.085 2.355 7.065
176 H LEU 28 H LEU 28 -3.455 3.416 3.172
177 HA LEU 28 HA LEU 28 -0.841 2.493 2.493
178 HB2 LEU 28 1HB LEU 28 -2.497 1.127 1.662
179 HB3 LEU 28 2HB LEU 28 -3.518 2.481 1.182
180 HG LEU 28 HG LEU 28 -2.044 2.915 -0.724
181 HD11 LEU 28 1HD1 LEU 28 -0.420 0.815 0.592
182 HD12 LEU 28 2HD1 LEU 28 0.085 2.256 -0.290
183 HD13 LEU 28 3HD1 LEU 28 -0.462 0.830 -1.172
184 HD21 LEU 28 3HD2 LEU 28 -3.987 1.269 -0.778
185 HD22 LEU 28 1HD2 LEU 28 -2.764 -0.001 -0.731
186 HD23 LEU 28 2HD2 LEU 28 -2.793 1.145 -2.072
187 H LEU 29 H LEU 29 -2.925 5.113 1.333
188 HA LEU 29 HA LEU 29 -1.398 6.016 -0.794
189 HB2 LEU 29 1HB LEU 29 -3.703 6.787 0.105
190 HB3 LEU 29 2HB LEU 29 -2.761 7.931 1.059
191 HG LEU 29 HG LEU 29 -2.681 7.758 -1.952
192 HD11 LEU 29 1HD1 LEU 29 -3.850 10.164 -1.103
193 HD12 LEU 29 2HD1 LEU 29 -4.669 8.877 -0.219
194 HD13 LEU 29 3HD1 LEU 29 -4.615 8.840 -1.982
195 HD21 LEU 29 3HD2 LEU 29 -0.726 8.812 -1.424
196 HD22 LEU 29 1HD2 LEU 29 -1.345 9.442 0.102
197 HD23 LEU 29 2HD2 LEU 29 -1.819 10.197 -1.420
198 H LYS 30 H LYS 30 -1.326 7.276 2.544
199 HA LYS 30 HA LYS 30 0.753 9.052 2.309
200 HB2 LYS 30 1HB LYS 30 -0.662 8.667 4.344
201 HB3 LYS 30 2HB LYS 30 0.311 7.242 4.689
202 HG2 LYS 30 1HG LYS 30 1.666 9.870 4.320
203 HG3 LYS 30 2HG LYS 30 0.833 9.527 5.838
204 HD2 LYS 30 1HD LYS 30 2.175 7.302 5.769
205 HD3 LYS 30 2HD LYS 30 3.209 8.165 4.627
206 HE2 LYS 30 1HE LYS 30 4.124 8.399 6.837
207 HE3 LYS 30 2HE LYS 30 3.490 9.959 6.316
208 HZ1 LYS 30 3HZ LYS 30 2.957 9.182 8.668
209 HZ2 LYS 30 1HZ LYS 30 1.860 8.114 7.948
210 HZ3 LYS 30 2HZ LYS 30 1.678 9.782 7.739
211 H HIS 31 H HIS 31 0.928 5.557 2.778
212 HA HIS 31 HA HIS 31 3.699 5.367 3.199
213 HB2 HIS 31 1HB HIS 31 2.590 3.410 3.733
214 HB3 HIS 31 2HB HIS 31 1.569 3.473 2.299
215 HD1 HIS 31 HD1 HIS 31 5.243 2.891 3.111
216 HD2 HIS 31 HD2 HIS 31 2.333 1.726 0.384
217 HE1 HIS 31 HE1 HIS 31 6.341 1.160 1.653
218 H GLN 32 H GLN 32 1.772 5.221 0.226
219 HA GLN 32 HA GLN 32 3.653 4.526 -1.627
220 HB2 GLN 32 1HB GLN 32 1.518 6.649 -1.902
221 HB3 GLN 32 2HB GLN 32 2.390 5.926 -3.247
222 HG2 GLN 32 1HG GLN 32 1.443 3.776 -2.787
223 HG3 GLN 32 2HG GLN 32 0.700 4.373 -1.305
224 HE21 GLN 32 1HE2 GLN 32 -1.105 3.281 -2.640
225 HE22 GLN 32 2HE2 GLN 32 -2.048 4.351 -3.615
226 H ARG 33 H ARG 33 3.437 7.495 0.161
227 HA ARG 33 HA ARG 33 4.791 9.333 -1.301
228 HB2 ARG 33 1HB ARG 33 5.145 8.698 1.632
229 HB3 ARG 33 2HB ARG 33 5.772 10.149 0.860
230 HG2 ARG 33 1HG ARG 33 2.883 9.547 0.550
231 HG3 ARG 33 2HG ARG 33 3.454 10.127 2.115
232 HD2 ARG 33 1HD ARG 33 2.875 12.079 0.983
233 HD3 ARG 33 2HD ARG 33 4.623 11.979 0.774
234 HE ARG 33 HE ARG 33 3.414 10.710 -1.401
235 HH11 ARG 33 1HH1 ARG 33 3.709 13.898 -0.033
236 HH12 ARG 33 2HH1 ARG 33 3.560 14.708 -1.558
237 HH21 ARG 33 1HH2 ARG 33 3.218 11.764 -3.414
238 HH22 ARG 33 2HH2 ARG 33 3.280 13.493 -3.480
239 H VAL 34 H VAL 34 6.308 6.783 0.664
240 HA VAL 34 HA VAL 34 8.964 7.360 0.239
241 HB VAL 34 HB VAL 34 9.470 5.042 0.668
242 HG11 VAL 34 1HG1 VAL 34 7.528 4.746 2.553
243 HG12 VAL 34 2HG1 VAL 34 8.967 5.752 2.738
244 HG13 VAL 34 3HG1 VAL 34 7.442 6.477 2.225
245 HG21 VAL 34 3HG2 VAL 34 6.747 4.630 -0.403
246 HG22 VAL 34 1HG2 VAL 34 8.191 3.628 -0.551
247 HG23 VAL 34 2HG2 VAL 34 7.233 3.582 0.930
248 H HIS 35 H HIS 35 6.690 5.800 -1.932
249 HA HIS 35 HA HIS 35 8.717 5.085 -3.855
250 HB2 HIS 35 1HB HIS 35 5.699 5.057 -4.052
251 HB3 HIS 35 2HB HIS 35 6.794 4.396 -5.262
252 HD1 HIS 35 HD1 HIS 35 8.689 2.719 -3.717
253 HD2 HIS 35 HD2 HIS 35 4.658 2.946 -2.737
254 HE1 HIS 35 HE1 HIS 35 8.195 0.625 -2.416
255 H SER 36 H SER 36 6.426 7.685 -3.361
256 HA SER 36 HA SER 36 7.380 8.958 -5.841
257 HB2 SER 36 1HB SER 36 4.741 8.952 -4.457
258 HB3 SER 36 2HB SER 36 5.222 10.431 -5.289
259 HG SER 36 HG SER 36 5.757 8.722 -7.046
260 H GLY 37 H GLY 37 9.282 9.671 -4.663
261 HA2 GLY 37 1HA GLY 37 9.198 11.290 -2.370
262 HA3 GLY 37 2HA GLY 37 10.503 11.260 -3.547
263 H GLU 38 H GLU 38 10.419 12.696 -5.344
264 HA GLU 38 HA GLU 38 8.361 14.606 -5.696
265 HB2 GLU 38 1HB GLU 38 9.473 15.335 -3.504
266 HB3 GLU 38 2HB GLU 38 10.859 15.779 -4.490
267 HG2 GLU 38 1HG GLU 38 9.017 17.087 -5.856
268 HG3 GLU 38 2HG GLU 38 8.177 17.031 -4.307
269 H LYS 39 H LYS 39 8.468 15.159 -7.762
270 HA LYS 39 HA LYS 39 11.097 15.501 -9.022
271 HB2 LYS 39 1HB LYS 39 10.311 14.299 -11.026
272 HB3 LYS 39 2HB LYS 39 10.371 13.257 -9.611
273 HG2 LYS 39 1HG LYS 39 7.926 13.605 -9.327
274 HG3 LYS 39 2HG LYS 39 7.923 14.491 -10.853
275 HD2 LYS 39 1HD LYS 39 7.323 12.358 -11.522
276 HD3 LYS 39 2HD LYS 39 9.066 12.358 -11.796
277 HE2 LYS 39 1HE LYS 39 8.401 10.301 -10.707
278 HE3 LYS 39 2HE LYS 39 9.387 11.268 -9.613
279 HZ1 LYS 39 3HZ LYS 39 7.434 10.296 -8.523
280 HZ2 LYS 39 1HZ LYS 39 6.420 11.159 -9.567
281 HZ3 LYS 39 2HZ LYS 39 7.410 11.987 -8.474
282 HA PRO 40 HA PRO 40 9.312 19.197 -10.611
283 HB2 PRO 40 1HB PRO 40 10.963 19.603 -12.728
284 HB3 PRO 40 2HB PRO 40 11.464 19.869 -11.054
285 HG2 PRO 40 1HG PRO 40 11.973 17.515 -12.833
286 HG3 PRO 40 2HG PRO 40 13.084 18.341 -11.725
287 HD2 PRO 40 1HD PRO 40 11.852 16.016 -11.087
288 HD3 PRO 40 2HD PRO 40 12.250 17.249 -9.874
289 H SER 41 H SER 41 10.216 16.854 -13.151
290 HA SER 41 HA SER 41 7.648 17.445 -14.474
291 HB2 SER 41 1HB SER 41 10.287 16.686 -15.750
292 HB3 SER 41 2HB SER 41 8.765 16.880 -16.617
293 HG SER 41 HG SER 41 10.408 18.741 -16.342
294 H GLY 42 H GLY 42 6.428 15.744 -15.224
295 HA2 GLY 42 1HA GLY 42 7.343 13.072 -14.361
296 HA3 GLY 42 2HA GLY 42 5.662 13.583 -14.384
297 HA PRO 43 HA PRO 43 6.838 13.049 -19.031
298 HB2 PRO 43 1HB PRO 43 9.341 12.159 -19.591
299 HB3 PRO 43 2HB PRO 43 8.942 13.875 -19.443
300 HG2 PRO 43 1HG PRO 43 10.197 12.042 -17.436
301 HG3 PRO 43 2HG PRO 43 10.628 13.712 -17.850
302 HD2 PRO 43 1HD PRO 43 9.167 13.085 -15.658
303 HD3 PRO 43 2HD PRO 43 8.942 14.601 -16.554
304 H SER 44 H SER 44 8.291 10.823 -16.718
305 HA SER 44 HA SER 44 7.352 8.559 -18.349
306 HB2 SER 44 1HB SER 44 9.831 8.753 -17.700
307 HB3 SER 44 2HB SER 44 9.309 8.355 -16.064
308 HG SER 44 HG SER 44 8.985 6.785 -18.404
309 H SER 45 H SER 45 5.192 8.790 -17.573
310 HA SER 45 HA SER 45 3.442 8.519 -16.120
311 HB2 SER 45 1HB SER 45 5.280 6.206 -15.705
312 HB3 SER 45 2HB SER 45 3.913 6.381 -14.606
313 HG SER 45 HG SER 45 3.456 6.617 -17.355
314 H GLY 46 H GLY 46 5.171 10.506 -15.224
315 HA2 GLY 46 1HA GLY 46 5.447 11.798 -13.340
316 HA3 GLY 46 2HA GLY 46 4.442 10.643 -12.477
Start of MODEL 11
1 H1 GLY 1 1H GLY 1 14.508 -12.867 12.015
2 HA2 GLY 1 1HA GLY 1 15.009 -15.560 11.075
3 HA3 GLY 1 2HA GLY 1 15.793 -14.762 12.430
4 H SER 2 H SER 2 14.104 -14.262 14.273
5 HA SER 2 HA SER 2 13.313 -16.754 15.313
6 HB2 SER 2 1HB SER 2 12.726 -13.913 16.138
7 HB3 SER 2 2HB SER 2 12.083 -15.293 17.028
8 HG SER 2 HG SER 2 14.076 -15.842 17.658
9 H SER 3 H SER 3 11.431 -17.845 15.296
10 HA SER 3 HA SER 3 9.428 -17.084 13.393
11 HB2 SER 3 1HB SER 3 9.947 -19.444 15.134
12 HB3 SER 3 2HB SER 3 8.295 -19.199 14.569
13 HG SER 3 HG SER 3 8.911 -19.937 12.714
14 H GLY 4 H GLY 4 7.053 -17.256 14.027
15 HA2 GLY 4 1HA GLY 4 5.604 -17.017 16.105
16 HA3 GLY 4 2HA GLY 4 6.653 -15.655 16.474
17 H SER 5 H SER 5 6.734 -13.912 14.809
18 HA SER 5 HA SER 5 4.064 -13.560 13.613
19 HB2 SER 5 1HB SER 5 5.935 -11.640 14.961
20 HB3 SER 5 2HB SER 5 4.783 -11.046 13.764
21 HG SER 5 HG SER 5 3.769 -10.946 15.723
22 H SER 6 H SER 6 4.054 -13.710 11.480
23 HA SER 6 HA SER 6 6.371 -12.675 9.982
24 HB2 SER 6 1HB SER 6 6.021 -15.263 10.091
25 HB3 SER 6 2HB SER 6 4.725 -14.957 8.934
26 HG SER 6 HG SER 6 6.189 -14.193 7.488
27 H GLY 7 H GLY 7 5.814 -12.193 7.659
28 HA2 GLY 7 1HA GLY 7 3.744 -10.309 7.536
29 HA3 GLY 7 2HA GLY 7 4.597 -10.968 6.148
30 H THR 8 H THR 8 1.652 -10.785 7.754
31 HA THR 8 HA THR 8 0.306 -12.303 5.766
32 HB THR 8 HB THR 8 1.177 -14.173 7.150
33 HG1 THR 8 HG1 THR 8 -0.615 -15.017 6.418
34 HG21 THR 8 3HG2 THR 8 -0.085 -14.471 9.379
35 HG22 THR 8 1HG2 THR 8 -0.359 -12.731 9.290
36 HG23 THR 8 2HG2 THR 8 1.287 -13.363 9.341
37 H GLY 9 H GLY 9 -1.911 -11.950 5.776
38 HA2 GLY 9 1HA GLY 9 -3.665 -11.261 7.669
39 HA3 GLY 9 2HA GLY 9 -2.772 -9.758 7.483
40 H GLU 10 H GLU 10 -5.567 -11.054 6.694
41 HA GLU 10 HA GLU 10 -5.700 -10.573 3.874
42 HB2 GLU 10 1HB GLU 10 -7.950 -10.828 5.878
43 HB3 GLU 10 2HB GLU 10 -8.103 -10.929 4.130
44 HG2 GLU 10 1HG GLU 10 -6.644 -12.851 5.926
45 HG3 GLU 10 2HG GLU 10 -8.162 -13.135 5.076
46 H LYS 11 H LYS 11 -5.457 -8.581 3.100
47 HA LYS 11 HA LYS 11 -7.045 -6.423 4.312
48 HB2 LYS 11 1HB LYS 11 -4.130 -6.490 3.719
49 HB3 LYS 11 2HB LYS 11 -4.986 -4.989 3.389
50 HG2 LYS 11 1HG LYS 11 -5.468 -4.616 5.609
51 HG3 LYS 11 2HG LYS 11 -5.318 -6.322 6.037
52 HD2 LYS 11 1HD LYS 11 -2.908 -4.896 5.025
53 HD3 LYS 11 2HD LYS 11 -3.447 -4.567 6.674
54 HE2 LYS 11 1HE LYS 11 -3.524 -7.147 6.897
55 HE3 LYS 11 2HE LYS 11 -2.487 -7.137 5.471
56 HZ1 LYS 11 3HZ LYS 11 -0.909 -5.758 6.673
57 HZ2 LYS 11 1HZ LYS 11 -1.192 -7.203 7.507
58 HZ3 LYS 11 2HZ LYS 11 -1.904 -5.765 8.040
59 HA PRO 12 HA PRO 12 -8.537 -5.781 0.220
60 HB2 PRO 12 1HB PRO 12 -9.365 -3.207 0.459
61 HB3 PRO 12 2HB PRO 12 -10.229 -4.566 1.188
62 HG2 PRO 12 1HG PRO 12 -8.307 -2.647 2.448
63 HG3 PRO 12 2HG PRO 12 -9.844 -3.268 3.079
64 HD2 PRO 12 1HD PRO 12 -7.445 -4.250 3.862
65 HD3 PRO 12 2HD PRO 12 -8.903 -5.257 3.765
66 H TYR 13 H TYR 13 -6.558 -3.137 1.560
67 HA TYR 13 HA TYR 13 -5.693 -2.345 -1.090
68 HB2 TYR 13 1HB TYR 13 -4.720 -1.297 1.571
69 HB3 TYR 13 2HB TYR 13 -4.568 -0.521 -0.001
70 HD1 TYR 13 HD2 TYR 13 -6.471 0.595 -1.027
71 HD2 TYR 13 HD1 TYR 13 -6.825 -1.270 2.781
72 HE1 TYR 13 HE2 TYR 13 -8.589 1.786 -0.648
73 HE2 TYR 13 HE1 TYR 13 -8.946 -0.086 3.170
74 HH TYR 13 HH TYR 13 -10.538 1.702 0.663
75 H ASN 14 H ASN 14 -3.736 -2.718 -1.996
76 HA ASN 14 HA ASN 14 -1.641 -3.993 -0.407
77 HB2 ASN 14 1HB ASN 14 -2.519 -5.158 -3.052
78 HB3 ASN 14 2HB ASN 14 -1.352 -5.829 -1.916
79 HD21 ASN 14 1HD2 ASN 14 -2.047 -7.057 -0.252
80 HD22 ASN 14 2HD2 ASN 14 -3.702 -7.471 0.022
81 H CYS 15 H CYS 15 0.118 -2.813 -0.711
82 HA CYS 15 HA CYS 15 0.424 -1.035 -2.919
83 HB2 CYS 15 1HB CYS 15 1.338 -0.627 -0.623
84 HB3 CYS 15 2HB CYS 15 2.524 -1.894 -0.920
85 H LYS 16 H LYS 16 1.056 -1.567 -4.891
86 HA LYS 16 HA LYS 16 2.274 -4.115 -5.444
87 HB2 LYS 16 1HB LYS 16 1.207 -1.849 -7.049
88 HB3 LYS 16 2HB LYS 16 2.393 -2.894 -7.820
89 HG2 LYS 16 1HG LYS 16 0.841 -4.807 -6.956
90 HG3 LYS 16 2HG LYS 16 -0.367 -3.520 -6.890
91 HD2 LYS 16 1HD LYS 16 1.286 -3.938 -9.354
92 HD3 LYS 16 2HD LYS 16 -0.142 -4.931 -9.051
93 HE2 LYS 16 1HE LYS 16 -1.513 -2.916 -8.891
94 HE3 LYS 16 2HE LYS 16 -0.087 -1.916 -9.167
95 HZ1 LYS 16 3HZ LYS 16 -1.460 -3.718 -11.064
96 HZ2 LYS 16 1HZ LYS 16 0.135 -3.219 -11.325
97 HZ3 LYS 16 2HZ LYS 16 -1.105 -2.073 -11.238
98 H GLU 17 H GLU 17 3.319 -0.791 -5.178
99 HA GLU 17 HA GLU 17 5.715 -0.778 -6.507
100 HB2 GLU 17 1HB GLU 17 4.869 0.518 -3.930
101 HB3 GLU 17 2HB GLU 17 6.489 0.755 -4.572
102 HG2 GLU 17 1HG GLU 17 5.026 2.577 -5.210
103 HG3 GLU 17 2HG GLU 17 5.552 1.669 -6.626
104 H CYS 18 H CYS 18 5.453 -1.457 -3.012
105 HA CYS 18 HA CYS 18 7.969 -2.945 -3.166
106 HB2 CYS 18 1HB CYS 18 7.926 -2.840 -0.694
107 HB3 CYS 18 2HB CYS 18 7.846 -1.244 -1.432
108 H GLY 19 H GLY 19 4.605 -3.326 -2.122
109 HA2 GLY 19 1HA GLY 19 3.550 -5.477 -2.683
110 HA3 GLY 19 2HA GLY 19 5.040 -6.249 -2.158
111 H LYS 20 H LYS 20 3.608 -3.565 -0.438
112 HA LYS 20 HA LYS 20 3.289 -5.281 1.897
113 HB2 LYS 20 1HB LYS 20 3.324 -2.300 1.491
114 HB3 LYS 20 2HB LYS 20 2.786 -3.011 3.006
115 HG2 LYS 20 1HG LYS 20 4.915 -3.957 3.424
116 HG3 LYS 20 2HG LYS 20 5.470 -3.596 1.788
117 HD2 LYS 20 1HD LYS 20 5.311 -1.197 2.272
118 HD3 LYS 20 2HD LYS 20 4.770 -1.566 3.911
119 HE2 LYS 20 1HE LYS 20 7.329 -2.746 2.945
120 HE3 LYS 20 2HE LYS 20 7.299 -1.039 3.383
121 HZ1 LYS 20 3HZ LYS 20 7.855 -2.064 5.355
122 HZ2 LYS 20 1HZ LYS 20 6.844 -3.395 5.090
123 HZ3 LYS 20 2HZ LYS 20 6.179 -1.902 5.521
124 H SER 21 H SER 21 1.335 -4.228 3.345
125 HA SER 21 HA SER 21 -1.063 -3.923 1.728
126 HB2 SER 21 1HB SER 21 -2.170 -5.756 3.186
127 HB3 SER 21 2HB SER 21 -1.150 -6.266 1.841
128 HG SER 21 HG SER 21 -0.784 -6.573 4.550
129 H PHE 22 H PHE 22 -2.803 -3.007 2.840
130 HA PHE 22 HA PHE 22 -2.364 -2.289 5.647
131 HB2 PHE 22 1HB PHE 22 -3.181 -0.289 3.530
132 HB3 PHE 22 2HB PHE 22 -2.940 0.037 5.243
133 HD1 PHE 22 HD2 PHE 22 -1.195 -1.005 2.147
134 HD2 PHE 22 HD1 PHE 22 -0.828 0.597 6.074
135 HE1 PHE 22 HE2 PHE 22 1.168 -0.478 1.708
136 HE2 PHE 22 HE1 PHE 22 1.535 1.127 5.640
137 HZ PHE 22 HZ PHE 22 2.536 0.589 3.456
138 H ARG 23 H ARG 23 -4.345 -1.401 6.673
139 HA ARG 23 HA ARG 23 -6.628 -2.986 5.874
140 HB2 ARG 23 1HB ARG 23 -6.021 -1.242 8.251
141 HB3 ARG 23 2HB ARG 23 -7.628 -1.901 7.979
142 HG2 ARG 23 1HG ARG 23 -6.867 -4.121 8.216
143 HG3 ARG 23 2HG ARG 23 -5.175 -3.627 8.116
144 HD2 ARG 23 1HD ARG 23 -5.669 -2.249 10.228
145 HD3 ARG 23 2HD ARG 23 -7.123 -3.237 10.365
146 HE ARG 23 HE ARG 23 -5.202 -5.093 10.109
147 HH11 ARG 23 1HH1 ARG 23 -5.479 -2.289 12.154
148 HH12 ARG 23 2HH1 ARG 23 -4.548 -2.976 13.443
149 HH21 ARG 23 1HH2 ARG 23 -3.975 -6.009 11.800
150 HH22 ARG 23 2HH2 ARG 23 -3.692 -5.092 13.241
151 H TRP 24 H TRP 24 -6.114 0.466 6.621
152 HA TRP 24 HA TRP 24 -8.572 1.152 5.233
153 HB2 TRP 24 1HB TRP 24 -6.592 2.710 6.879
154 HB3 TRP 24 2HB TRP 24 -7.832 3.524 5.929
155 HD1 TRP 24 HD1 TRP 24 -7.282 2.335 9.303
156 HE1 TRP 24 HE1 TRP 24 -9.499 2.009 10.570
157 HE3 TRP 24 HE3 TRP 24 -10.509 2.467 5.340
158 HZ2 TRP 24 HZ2 TRP 24 -12.251 1.830 9.969
159 HZ3 TRP 24 HZ3 TRP 24 -12.918 2.210 5.772
160 HH2 TRP 24 HH2 TRP 24 -13.769 1.898 8.039
161 H ALA 25 H ALA 25 -8.195 3.457 4.010
162 HA ALA 25 HA ALA 25 -6.482 2.746 1.761
163 HB1 ALA 25 3HB ALA 25 -7.636 4.704 0.665
164 HB2 ALA 25 1HB ALA 25 -8.676 3.353 1.119
165 HB3 ALA 25 2HB ALA 25 -8.641 4.812 2.111
166 H SER 26 H SER 26 -7.207 5.827 3.411
167 HA SER 26 HA SER 26 -5.227 7.418 2.596
168 HB2 SER 26 1HB SER 26 -5.162 8.432 4.882
169 HB3 SER 26 2HB SER 26 -6.797 8.171 4.275
170 HG SER 26 HG SER 26 -5.430 6.886 6.340
171 H CYS 27 H CYS 27 -4.800 5.111 5.280
172 HA CYS 27 HA CYS 27 -2.187 5.516 5.918
173 HB2 CYS 27 1HB CYS 27 -2.098 3.000 6.362
174 HB3 CYS 27 2HB CYS 27 -3.367 3.905 7.176
175 HG CYS 27 HG CYS 27 -4.568 1.563 6.475
176 H LEU 28 H LEU 28 -3.379 3.475 3.265
177 HA LEU 28 HA LEU 28 -0.835 2.657 2.356
178 HB2 LEU 28 1HB LEU 28 -2.628 1.350 1.644
179 HB3 LEU 28 2HB LEU 28 -3.563 2.751 1.124
180 HG LEU 28 HG LEU 28 -2.107 3.033 -0.803
181 HD11 LEU 28 1HD1 LEU 28 -0.650 0.693 -0.984
182 HD12 LEU 28 2HD1 LEU 28 -0.421 1.204 0.688
183 HD13 LEU 28 3HD1 LEU 28 -0.013 2.300 -0.633
184 HD21 LEU 28 3HD2 LEU 28 -2.832 0.128 -0.753
185 HD22 LEU 28 1HD2 LEU 28 -2.963 1.289 -2.074
186 HD23 LEU 28 2HD2 LEU 28 -4.082 1.372 -0.713
187 H LEU 29 H LEU 29 -2.995 5.277 1.318
188 HA LEU 29 HA LEU 29 -1.524 6.232 -0.831
189 HB2 LEU 29 1HB LEU 29 -3.653 7.135 -0.559
190 HB3 LEU 29 2HB LEU 29 -3.367 7.542 1.131
191 HG LEU 29 HG LEU 29 -1.814 9.334 0.373
192 HD11 LEU 29 1HD1 LEU 29 -1.557 9.921 -1.856
193 HD12 LEU 29 2HD1 LEU 29 -2.971 9.000 -2.367
194 HD13 LEU 29 3HD1 LEU 29 -1.492 8.159 -1.901
195 HD21 LEU 29 3HD2 LEU 29 -4.699 9.240 0.085
196 HD22 LEU 29 1HD2 LEU 29 -3.963 10.462 -0.952
197 HD23 LEU 29 2HD2 LEU 29 -3.673 10.491 0.787
198 H LYS 30 H LYS 30 -1.257 7.070 2.606
199 HA LYS 30 HA LYS 30 0.731 9.035 2.336
200 HB2 LYS 30 1HB LYS 30 0.160 7.184 4.657
201 HB3 LYS 30 2HB LYS 30 1.185 8.611 4.738
202 HG2 LYS 30 1HG LYS 30 -0.699 10.039 4.245
203 HG3 LYS 30 2HG LYS 30 -1.744 8.632 4.036
204 HD2 LYS 30 1HD LYS 30 -2.248 9.229 6.198
205 HD3 LYS 30 2HD LYS 30 -0.948 8.066 6.470
206 HE2 LYS 30 1HE LYS 30 -0.352 9.849 7.832
207 HE3 LYS 30 2HE LYS 30 0.605 10.123 6.377
208 HZ1 LYS 30 3HZ LYS 30 -1.289 11.821 7.566
209 HZ2 LYS 30 1HZ LYS 30 -1.849 11.396 6.027
210 HZ3 LYS 30 2HZ LYS 30 -0.326 12.108 6.206
211 H HIS 31 H HIS 31 0.941 5.535 2.784
212 HA HIS 31 HA HIS 31 3.737 5.394 3.114
213 HB2 HIS 31 1HB HIS 31 2.663 3.445 3.759
214 HB3 HIS 31 2HB HIS 31 1.600 3.442 2.355
215 HD1 HIS 31 HD1 HIS 31 5.208 2.729 3.261
216 HD2 HIS 31 HD2 HIS 31 2.434 1.859 0.293
217 HE1 HIS 31 HE1 HIS 31 6.316 1.021 1.785
218 H GLN 32 H GLN 32 1.680 5.116 0.238
219 HA GLN 32 HA GLN 32 3.444 4.380 -1.689
220 HB2 GLN 32 1HB GLN 32 1.299 6.499 -1.843
221 HB3 GLN 32 2HB GLN 32 2.149 5.877 -3.251
222 HG2 GLN 32 1HG GLN 32 1.353 3.561 -2.262
223 HG3 GLN 32 2HG GLN 32 0.111 4.578 -1.534
224 HE21 GLN 32 1HE2 GLN 32 -1.589 5.125 -2.724
225 HE22 GLN 32 2HE2 GLN 32 -1.741 4.877 -4.427
226 H ARG 33 H ARG 33 3.430 7.357 0.079
227 HA ARG 33 HA ARG 33 4.763 9.126 -1.511
228 HB2 ARG 33 1HB ARG 33 4.958 8.574 1.434
229 HB3 ARG 33 2HB ARG 33 5.946 9.825 0.693
230 HG2 ARG 33 1HG ARG 33 4.030 11.057 0.019
231 HG3 ARG 33 2HG ARG 33 2.951 9.728 0.449
232 HD2 ARG 33 1HD ARG 33 3.247 10.074 2.739
233 HD3 ARG 33 2HD ARG 33 4.720 11.012 2.499
234 HE ARG 33 HE ARG 33 2.907 12.566 1.310
235 HH11 ARG 33 1HH1 ARG 33 2.859 10.937 4.386
236 HH12 ARG 33 2HH1 ARG 33 1.849 12.123 5.146
237 HH21 ARG 33 1HH2 ARG 33 1.577 14.134 2.299
238 HH22 ARG 33 2HH2 ARG 33 1.120 13.940 3.957
239 H VAL 34 H VAL 34 6.256 6.589 0.487
240 HA VAL 34 HA VAL 34 8.914 7.060 0.018
241 HB VAL 34 HB VAL 34 9.355 4.751 0.466
242 HG11 VAL 34 1HG1 VAL 34 8.786 5.323 2.544
243 HG12 VAL 34 2HG1 VAL 34 7.380 6.235 1.992
244 HG13 VAL 34 3HG1 VAL 34 7.259 4.493 2.246
245 HG21 VAL 34 3HG2 VAL 34 6.442 4.198 -0.092
246 HG22 VAL 34 1HG2 VAL 34 7.775 3.816 -1.181
247 HG23 VAL 34 2HG2 VAL 34 7.663 3.020 0.388
248 H HIS 35 H HIS 35 6.564 5.615 -2.147
249 HA HIS 35 HA HIS 35 8.610 4.989 -4.123
250 HB2 HIS 35 1HB HIS 35 5.609 4.651 -4.297
251 HB3 HIS 35 2HB HIS 35 6.801 3.981 -5.406
252 HD1 HIS 35 HD1 HIS 35 8.732 2.522 -3.784
253 HD2 HIS 35 HD2 HIS 35 4.723 2.673 -2.702
254 HE1 HIS 35 HE1 HIS 35 8.366 0.539 -2.281
255 H SER 36 H SER 36 7.956 7.777 -3.322
256 HA SER 36 HA SER 36 6.782 8.863 -5.767
257 HB2 SER 36 1HB SER 36 7.583 10.167 -3.158
258 HB3 SER 36 2HB SER 36 6.942 11.052 -4.542
259 HG SER 36 HG SER 36 5.041 9.816 -4.370
260 H GLY 37 H GLY 37 7.888 10.053 -7.252
261 HA2 GLY 37 1HA GLY 37 10.671 9.648 -7.505
262 HA3 GLY 37 2HA GLY 37 9.702 10.744 -8.479
263 H GLU 38 H GLU 38 12.413 11.052 -7.338
264 HA GLU 38 HA GLU 38 11.913 13.531 -5.828
265 HB2 GLU 38 1HB GLU 38 13.835 13.142 -4.464
266 HB3 GLU 38 2HB GLU 38 12.856 11.682 -4.417
267 HG2 GLU 38 1HG GLU 38 15.019 11.845 -6.440
268 HG3 GLU 38 2HG GLU 38 15.469 11.603 -4.753
269 H LYS 39 H LYS 39 12.194 13.240 -8.667
270 HA LYS 39 HA LYS 39 14.659 14.800 -9.057
271 HB2 LYS 39 1HB LYS 39 13.639 12.457 -10.605
272 HB3 LYS 39 2HB LYS 39 14.496 13.728 -11.468
273 HG2 LYS 39 1HG LYS 39 16.356 13.430 -9.774
274 HG3 LYS 39 2HG LYS 39 15.519 11.960 -9.268
275 HD2 LYS 39 1HD LYS 39 15.630 11.162 -11.624
276 HD3 LYS 39 2HD LYS 39 16.607 12.580 -12.013
277 HE2 LYS 39 1HE LYS 39 18.154 10.849 -11.647
278 HE3 LYS 39 2HE LYS 39 18.178 11.808 -10.168
279 HZ1 LYS 39 3HZ LYS 39 16.440 9.434 -10.409
280 HZ2 LYS 39 1HZ LYS 39 17.011 10.192 -9.008
281 HZ3 LYS 39 2HZ LYS 39 18.065 9.278 -9.964
282 HA PRO 40 HA PRO 40 12.011 17.834 -10.833
283 HB2 PRO 40 1HB PRO 40 13.832 19.173 -12.337
284 HB3 PRO 40 2HB PRO 40 13.763 19.298 -10.575
285 HG2 PRO 40 1HG PRO 40 15.574 17.638 -12.286
286 HG3 PRO 40 2HG PRO 40 15.963 18.595 -10.845
287 HD2 PRO 40 1HD PRO 40 15.629 15.910 -10.763
288 HD3 PRO 40 2HD PRO 40 15.200 16.967 -9.403
289 H SER 41 H SER 41 14.354 16.461 -13.153
290 HA SER 41 HA SER 41 12.253 16.532 -15.208
291 HB2 SER 41 1HB SER 41 15.246 16.661 -15.322
292 HB3 SER 41 2HB SER 41 14.352 16.058 -16.717
293 HG SER 41 HG SER 41 13.677 18.501 -15.472
294 H GLY 42 H GLY 42 11.481 14.701 -16.081
295 HA2 GLY 42 1HA GLY 42 12.695 12.318 -16.574
296 HA3 GLY 42 2HA GLY 42 12.228 12.188 -14.885
297 HA PRO 43 HA PRO 43 8.215 12.514 -17.624
298 HB2 PRO 43 1HB PRO 43 8.563 11.732 -20.200
299 HB3 PRO 43 2HB PRO 43 8.712 13.414 -19.678
300 HG2 PRO 43 1HG PRO 43 10.860 11.393 -20.191
301 HG3 PRO 43 2HG PRO 43 10.802 13.105 -20.650
302 HD2 PRO 43 1HD PRO 43 12.205 12.217 -18.512
303 HD3 PRO 43 2HD PRO 43 11.441 13.818 -18.554
304 H SER 44 H SER 44 7.675 10.735 -16.354
305 HA SER 44 HA SER 44 6.998 8.598 -15.956
306 HB2 SER 44 1HB SER 44 6.104 8.737 -18.275
307 HB3 SER 44 2HB SER 44 7.638 8.109 -18.875
308 HG SER 44 HG SER 44 5.539 6.768 -17.863
309 H SER 45 H SER 45 9.613 9.282 -15.312
310 HA SER 45 HA SER 45 11.074 6.784 -15.872
311 HB2 SER 45 1HB SER 45 12.013 9.613 -15.575
312 HB3 SER 45 2HB SER 45 13.094 8.295 -15.122
313 HG SER 45 HG SER 45 12.774 7.448 -17.246
314 H GLY 46 H GLY 46 11.384 5.475 -14.199
315 HA2 GLY 46 1HA GLY 46 12.087 4.983 -11.988
316 HA3 GLY 46 2HA GLY 46 11.633 6.612 -11.509
Start of MODEL 12
1 H1 GLY 1 1H GLY 1 25.788 -16.096 9.334
2 HA2 GLY 1 1HA GLY 1 23.476 -16.469 10.226
3 HA3 GLY 1 2HA GLY 1 24.030 -14.815 10.441
4 H SER 2 H SER 2 21.411 -16.474 9.655
5 HA SER 2 HA SER 2 20.467 -14.409 7.779
6 HB2 SER 2 1HB SER 2 19.239 -15.994 6.521
7 HB3 SER 2 2HB SER 2 20.820 -16.736 6.762
8 HG SER 2 HG SER 2 19.933 -18.243 7.941
9 H SER 3 H SER 3 18.427 -13.599 8.120
10 HA SER 3 HA SER 3 16.631 -14.762 10.037
11 HB2 SER 3 1HB SER 3 18.196 -12.276 10.715
12 HB3 SER 3 2HB SER 3 16.631 -12.618 11.452
13 HG SER 3 HG SER 3 17.774 -13.748 12.805
14 H GLY 4 H GLY 4 14.631 -13.468 10.273
15 HA2 GLY 4 1HA GLY 4 14.011 -11.188 8.817
16 HA3 GLY 4 2HA GLY 4 13.742 -12.549 7.737
17 H SER 5 H SER 5 12.549 -10.747 10.403
18 HA SER 5 HA SER 5 10.774 -12.401 11.658
19 HB2 SER 5 1HB SER 5 11.140 -10.001 12.214
20 HB3 SER 5 2HB SER 5 10.171 -9.558 10.810
21 HG SER 5 HG SER 5 8.648 -9.618 12.296
22 H SER 6 H SER 6 9.131 -13.624 11.032
23 HA SER 6 HA SER 6 7.910 -13.098 8.409
24 HB2 SER 6 1HB SER 6 7.190 -15.481 8.500
25 HB3 SER 6 2HB SER 6 8.942 -15.292 8.567
26 HG SER 6 HG SER 6 7.192 -15.779 10.748
27 H GLY 7 H GLY 7 5.668 -13.108 8.157
28 HA2 GLY 7 1HA GLY 7 3.644 -13.776 9.787
29 HA3 GLY 7 2HA GLY 7 4.211 -12.288 10.530
30 H THR 8 H THR 8 1.797 -13.307 8.784
31 HA THR 8 HA THR 8 1.492 -10.758 7.401
32 HB THR 8 HB THR 8 2.411 -12.241 5.678
33 HG1 THR 8 HG1 THR 8 -0.330 -12.021 5.057
34 HG21 THR 8 3HG2 THR 8 -0.045 -13.938 5.778
35 HG22 THR 8 1HG2 THR 8 1.299 -14.305 6.858
36 HG23 THR 8 2HG2 THR 8 1.547 -14.303 5.112
37 H GLY 9 H GLY 9 -0.582 -10.022 7.359
38 HA2 GLY 9 1HA GLY 9 -2.575 -11.730 8.696
39 HA3 GLY 9 2HA GLY 9 -2.602 -9.973 8.665
40 H GLU 10 H GLU 10 -4.531 -9.560 7.737
41 HA GLU 10 HA GLU 10 -4.842 -10.363 4.945
42 HB2 GLU 10 1HB GLU 10 -6.932 -10.791 7.083
43 HB3 GLU 10 2HB GLU 10 -7.264 -10.869 5.359
44 HG2 GLU 10 1HG GLU 10 -5.197 -12.597 6.678
45 HG3 GLU 10 2HG GLU 10 -6.892 -13.065 6.557
46 H LYS 11 H LYS 11 -4.986 -8.513 3.876
47 HA LYS 11 HA LYS 11 -6.834 -6.458 4.851
48 HB2 LYS 11 1HB LYS 11 -3.952 -6.034 4.075
49 HB3 LYS 11 2HB LYS 11 -5.127 -4.726 4.080
50 HG2 LYS 11 1HG LYS 11 -5.317 -4.720 6.372
51 HG3 LYS 11 2HG LYS 11 -4.788 -6.397 6.526
52 HD2 LYS 11 1HD LYS 11 -2.515 -5.641 5.763
53 HD3 LYS 11 2HD LYS 11 -3.097 -3.981 5.904
54 HE2 LYS 11 1HE LYS 11 -2.002 -4.413 7.934
55 HE3 LYS 11 2HE LYS 11 -3.718 -4.575 8.301
56 HZ1 LYS 11 3HZ LYS 11 -3.170 -6.541 9.151
57 HZ2 LYS 11 1HZ LYS 11 -1.635 -6.535 8.439
58 HZ3 LYS 11 2HZ LYS 11 -2.971 -7.083 7.561
59 HA PRO 12 HA PRO 12 -8.212 -6.464 0.671
60 HB2 PRO 12 1HB PRO 12 -9.411 -4.029 0.606
61 HB3 PRO 12 2HB PRO 12 -10.104 -5.419 1.450
62 HG2 PRO 12 1HG PRO 12 -8.538 -3.120 2.556
63 HG3 PRO 12 2HG PRO 12 -9.997 -3.894 3.201
64 HD2 PRO 12 1HD PRO 12 -7.520 -4.426 4.159
65 HD3 PRO 12 2HD PRO 12 -8.813 -5.643 4.125
66 H TYR 13 H TYR 13 -6.496 -3.596 1.853
67 HA TYR 13 HA TYR 13 -5.738 -2.838 -0.849
68 HB2 TYR 13 1HB TYR 13 -4.966 -1.575 1.789
69 HB3 TYR 13 2HB TYR 13 -4.720 -0.882 0.190
70 HD1 TYR 13 HD1 TYR 13 -7.175 -1.615 2.806
71 HD2 TYR 13 HD2 TYR 13 -6.576 0.071 -1.054
72 HE1 TYR 13 HE1 TYR 13 -9.382 -0.538 2.941
73 HE2 TYR 13 HE2 TYR 13 -8.780 1.154 -0.929
74 HH TYR 13 HH TYR 13 -10.337 1.931 1.114
75 H ASN 14 H ASN 14 -3.779 -3.132 -1.756
76 HA ASN 14 HA ASN 14 -1.527 -3.994 -0.121
77 HB2 ASN 14 1HB ASN 14 -2.504 -5.629 -2.473
78 HB3 ASN 14 2HB ASN 14 -1.077 -5.961 -1.496
79 HD21 ASN 14 1HD2 ASN 14 -4.556 -5.954 -1.584
80 HD22 ASN 14 2HD2 ASN 14 -4.792 -6.953 -0.195
81 H CYS 15 H CYS 15 0.082 -2.699 -0.684
82 HA CYS 15 HA CYS 15 0.148 -1.092 -2.967
83 HB2 CYS 15 1HB CYS 15 1.442 -0.579 -0.956
84 HB3 CYS 15 2HB CYS 15 2.444 -2.002 -1.221
85 H LYS 16 H LYS 16 1.607 -1.139 -4.781
86 HA LYS 16 HA LYS 16 2.118 -3.884 -5.703
87 HB2 LYS 16 1HB LYS 16 0.566 -2.253 -6.977
88 HB3 LYS 16 2HB LYS 16 2.053 -1.457 -7.477
89 HG2 LYS 16 1HG LYS 16 1.816 -4.394 -7.871
90 HG3 LYS 16 2HG LYS 16 0.928 -3.317 -8.952
91 HD2 LYS 16 1HD LYS 16 2.940 -2.236 -9.644
92 HD3 LYS 16 2HD LYS 16 3.879 -3.058 -8.396
93 HE2 LYS 16 1HE LYS 16 4.401 -4.373 -10.183
94 HE3 LYS 16 2HE LYS 16 2.951 -5.207 -9.627
95 HZ1 LYS 16 3HZ LYS 16 2.065 -3.237 -11.333
96 HZ2 LYS 16 1HZ LYS 16 2.138 -4.898 -11.651
97 HZ3 LYS 16 2HZ LYS 16 3.423 -3.894 -12.099
98 H GLU 17 H GLU 17 3.551 -0.674 -5.421
99 HA GLU 17 HA GLU 17 5.939 -1.024 -6.740
100 HB2 GLU 17 1HB GLU 17 5.194 0.553 -4.299
101 HB3 GLU 17 2HB GLU 17 6.862 0.522 -4.854
102 HG2 GLU 17 1HG GLU 17 5.413 2.447 -5.639
103 HG3 GLU 17 2HG GLU 17 6.336 1.583 -6.867
104 H CYS 18 H CYS 18 5.480 -1.523 -3.234
105 HA CYS 18 HA CYS 18 7.848 -3.250 -3.228
106 HB2 CYS 18 1HB CYS 18 7.753 -3.011 -0.767
107 HB3 CYS 18 2HB CYS 18 7.863 -1.456 -1.586
108 H GLY 19 H GLY 19 4.415 -3.228 -2.414
109 HA2 GLY 19 1HA GLY 19 3.104 -5.219 -2.789
110 HA3 GLY 19 2HA GLY 19 4.512 -6.173 -2.343
111 H LYS 20 H LYS 20 3.608 -3.361 -0.506
112 HA LYS 20 HA LYS 20 3.313 -4.963 1.867
113 HB2 LYS 20 1HB LYS 20 3.380 -2.043 1.251
114 HB3 LYS 20 2HB LYS 20 2.674 -2.559 2.777
115 HG2 LYS 20 1HG LYS 20 4.775 -3.749 3.302
116 HG3 LYS 20 2HG LYS 20 5.474 -3.108 1.814
117 HD2 LYS 20 1HD LYS 20 6.204 -1.654 3.514
118 HD3 LYS 20 2HD LYS 20 4.879 -0.802 2.717
119 HE2 LYS 20 1HE LYS 20 3.381 -1.294 4.480
120 HE3 LYS 20 2HE LYS 20 4.478 -2.484 5.179
121 HZ1 LYS 20 3HZ LYS 20 4.306 -0.134 6.212
122 HZ2 LYS 20 1HZ LYS 20 5.332 0.321 4.947
123 HZ3 LYS 20 2HZ LYS 20 5.825 -0.860 6.053
124 H SER 21 H SER 21 1.411 -3.939 3.380
125 HA SER 21 HA SER 21 -1.089 -4.002 1.844
126 HB2 SER 21 1HB SER 21 -0.630 -5.629 4.354
127 HB3 SER 21 2HB SER 21 -2.091 -5.599 3.367
128 HG SER 21 HG SER 21 -0.685 -7.409 2.953
129 H PHE 22 H PHE 22 -2.934 -3.148 3.000
130 HA PHE 22 HA PHE 22 -2.437 -1.707 5.466
131 HB2 PHE 22 1HB PHE 22 -3.161 -0.261 2.910
132 HB3 PHE 22 2HB PHE 22 -3.183 0.462 4.515
133 HD1 PHE 22 HD1 PHE 22 -1.110 0.933 5.697
134 HD2 PHE 22 HD2 PHE 22 -1.097 -0.693 1.763
135 HE1 PHE 22 HE1 PHE 22 1.265 1.531 5.461
136 HE2 PHE 22 HE2 PHE 22 1.278 -0.099 1.522
137 HZ PHE 22 HZ PHE 22 2.463 1.014 3.372
138 H ARG 23 H ARG 23 -4.369 -0.902 6.456
139 HA ARG 23 HA ARG 23 -6.673 -2.529 5.823
140 HB2 ARG 23 1HB ARG 23 -5.848 -0.775 8.088
141 HB3 ARG 23 2HB ARG 23 -7.565 -1.083 7.866
142 HG2 ARG 23 1HG ARG 23 -7.116 -3.503 7.958
143 HG3 ARG 23 2HG ARG 23 -5.414 -3.151 8.265
144 HD2 ARG 23 1HD ARG 23 -6.351 -1.711 10.223
145 HD3 ARG 23 2HD ARG 23 -7.792 -2.707 10.022
146 HE ARG 23 HE ARG 23 -5.724 -4.491 10.166
147 HH11 ARG 23 1HH1 ARG 23 -6.940 -1.936 12.194
148 HH12 ARG 23 2HH1 ARG 23 -6.429 -2.686 13.669
149 HH21 ARG 23 1HH2 ARG 23 -5.045 -5.489 12.102
150 HH22 ARG 23 2HH2 ARG 23 -5.350 -4.706 13.616
151 H TRP 24 H TRP 24 -6.072 0.963 6.228
152 HA TRP 24 HA TRP 24 -8.501 1.489 4.658
153 HB2 TRP 24 1HB TRP 24 -7.021 3.041 6.749
154 HB3 TRP 24 2HB TRP 24 -7.999 3.905 5.565
155 HD1 TRP 24 HD1 TRP 24 -8.348 2.845 8.919
156 HE1 TRP 24 HE1 TRP 24 -10.782 2.304 9.557
157 HE3 TRP 24 HE3 TRP 24 -10.341 2.415 4.230
158 HZ2 TRP 24 HZ2 TRP 24 -13.224 1.765 8.247
159 HZ3 TRP 24 HZ3 TRP 24 -12.733 1.884 4.010
160 HH2 TRP 24 HH2 TRP 24 -14.143 1.566 5.978
161 H ALA 25 H ALA 25 -8.433 3.265 3.104
162 HA ALA 25 HA ALA 25 -6.427 2.989 1.206
163 HB1 ALA 25 3HB ALA 25 -7.748 4.291 -0.031
164 HB2 ALA 25 1HB ALA 25 -8.839 4.316 1.355
165 HB3 ALA 25 2HB ALA 25 -7.668 5.616 1.130
166 H SER 26 H SER 26 -6.930 5.782 3.374
167 HA SER 26 HA SER 26 -4.761 7.301 2.756
168 HB2 SER 26 1HB SER 26 -4.774 8.069 5.137
169 HB3 SER 26 2HB SER 26 -6.375 8.046 4.397
170 HG SER 26 HG SER 26 -6.290 7.111 6.526
171 H CYS 27 H CYS 27 -4.765 4.760 5.260
172 HA CYS 27 HA CYS 27 -2.166 4.817 6.060
173 HB2 CYS 27 1HB CYS 27 -3.884 2.382 5.551
174 HB3 CYS 27 2HB CYS 27 -2.366 2.346 6.439
175 HG CYS 27 HG CYS 27 -4.779 2.279 8.074
176 H LEU 28 H LEU 28 -3.427 3.436 3.078
177 HA LEU 28 HA LEU 28 -0.886 2.339 2.284
178 HB2 LEU 28 1HB LEU 28 -2.680 1.139 1.440
179 HB3 LEU 28 2HB LEU 28 -3.583 2.593 1.021
180 HG LEU 28 HG LEU 28 -2.026 2.988 -0.851
181 HD11 LEU 28 1HD1 LEU 28 -0.159 1.810 -1.203
182 HD12 LEU 28 2HD1 LEU 28 -0.936 0.277 -0.810
183 HD13 LEU 28 3HD1 LEU 28 -0.331 1.314 0.481
184 HD21 LEU 28 3HD2 LEU 28 -4.150 1.698 -1.102
185 HD22 LEU 28 1HD2 LEU 28 -3.206 0.217 -0.939
186 HD23 LEU 28 2HD2 LEU 28 -2.913 1.304 -2.297
187 H LEU 29 H LEU 29 -2.849 5.155 1.420
188 HA LEU 29 HA LEU 29 -1.247 6.115 -0.668
189 HB2 LEU 29 1HB LEU 29 -3.374 7.060 -0.474
190 HB3 LEU 29 2HB LEU 29 -3.157 7.418 1.238
191 HG LEU 29 HG LEU 29 -1.393 9.112 0.462
192 HD11 LEU 29 1HD1 LEU 29 -2.900 8.807 -2.129
193 HD12 LEU 29 2HD1 LEU 29 -1.257 8.233 -1.850
194 HD13 LEU 29 3HD1 LEU 29 -1.612 9.959 -1.774
195 HD21 LEU 29 3HD2 LEU 29 -2.959 10.675 0.800
196 HD22 LEU 29 1HD2 LEU 29 -4.059 9.315 1.025
197 HD23 LEU 29 2HD2 LEU 29 -3.949 10.110 -0.546
198 H LYS 30 H LYS 30 -1.325 7.178 2.737
199 HA LYS 30 HA LYS 30 0.766 8.965 2.687
200 HB2 LYS 30 1HB LYS 30 -0.831 8.233 4.621
201 HB3 LYS 30 2HB LYS 30 0.456 7.102 5.016
202 HG2 LYS 30 1HG LYS 30 0.860 8.964 6.363
203 HG3 LYS 30 2HG LYS 30 2.006 9.122 5.030
204 HD2 LYS 30 1HD LYS 30 1.167 11.257 5.123
205 HD3 LYS 30 2HD LYS 30 0.065 10.528 3.952
206 HE2 LYS 30 1HE LYS 30 -1.457 11.505 5.340
207 HE3 LYS 30 2HE LYS 30 -1.296 9.944 6.143
208 HZ1 LYS 30 3HZ LYS 30 -0.127 12.541 6.929
209 HZ2 LYS 30 1HZ LYS 30 0.500 11.082 7.513
210 HZ3 LYS 30 2HZ LYS 30 -1.104 11.504 7.841
211 H HIS 31 H HIS 31 0.881 5.530 2.425
212 HA HIS 31 HA HIS 31 3.675 5.307 3.115
213 HB2 HIS 31 1HB HIS 31 2.617 3.327 3.624
214 HB3 HIS 31 2HB HIS 31 1.530 3.428 2.242
215 HD1 HIS 31 HD1 HIS 31 5.268 2.910 2.785
216 HD2 HIS 31 HD2 HIS 31 2.168 1.640 0.328
217 HE1 HIS 31 HE1 HIS 31 6.284 1.194 1.254
218 H GLN 32 H GLN 32 1.752 4.973 0.137
219 HA GLN 32 HA GLN 32 3.660 4.406 -1.706
220 HB2 GLN 32 1HB GLN 32 1.223 6.135 -1.827
221 HB3 GLN 32 2HB GLN 32 2.293 6.066 -3.220
222 HG2 GLN 32 1HG GLN 32 2.055 3.516 -3.013
223 HG3 GLN 32 2HG GLN 32 0.666 3.879 -1.991
224 HE21 GLN 32 1HE2 GLN 32 -1.110 4.990 -2.902
225 HE22 GLN 32 2HE2 GLN 32 -1.394 4.968 -4.606
226 H ARG 33 H ARG 33 3.301 7.368 0.060
227 HA ARG 33 HA ARG 33 4.601 9.223 -1.482
228 HB2 ARG 33 1HB ARG 33 4.532 8.759 1.480
229 HB3 ARG 33 2HB ARG 33 5.531 10.045 0.816
230 HG2 ARG 33 1HG ARG 33 3.457 10.897 -0.339
231 HG3 ARG 33 2HG ARG 33 2.548 9.747 0.644
232 HD2 ARG 33 1HD ARG 33 3.352 10.795 2.672
233 HD3 ARG 33 2HD ARG 33 4.371 11.886 1.735
234 HE ARG 33 HE ARG 33 1.552 12.137 2.218
235 HH11 ARG 33 1HH1 ARG 33 4.166 12.957 0.070
236 HH12 ARG 33 2HH1 ARG 33 3.376 14.363 -0.565
237 HH21 ARG 33 1HH2 ARG 33 0.502 13.985 1.390
238 HH22 ARG 33 2HH2 ARG 33 1.293 14.947 0.188
239 H VAL 34 H VAL 34 6.075 6.777 0.625
240 HA VAL 34 HA VAL 34 8.733 7.491 0.408
241 HB VAL 34 HB VAL 34 9.315 5.249 0.985
242 HG11 VAL 34 1HG1 VAL 34 8.474 5.640 3.001
243 HG12 VAL 34 2HG1 VAL 34 7.220 6.668 2.305
244 HG13 VAL 34 3HG1 VAL 34 6.943 4.935 2.483
245 HG21 VAL 34 3HG2 VAL 34 6.552 4.464 0.060
246 HG22 VAL 34 1HG2 VAL 34 8.076 4.067 -0.734
247 HG23 VAL 34 2HG2 VAL 34 7.706 3.390 0.852
248 H HIS 35 H HIS 35 6.776 5.555 -1.816
249 HA HIS 35 HA HIS 35 8.906 4.889 -3.569
250 HB2 HIS 35 1HB HIS 35 5.920 4.980 -4.047
251 HB3 HIS 35 2HB HIS 35 7.091 4.278 -5.160
252 HD1 HIS 35 HD1 HIS 35 8.751 2.463 -3.596
253 HD2 HIS 35 HD2 HIS 35 4.728 2.981 -2.697
254 HE1 HIS 35 HE1 HIS 35 8.079 0.408 -2.312
255 H SER 36 H SER 36 6.777 7.633 -3.283
256 HA SER 36 HA SER 36 6.608 9.597 -4.423
257 HB2 SER 36 1HB SER 36 9.508 8.884 -4.644
258 HB3 SER 36 2HB SER 36 8.900 10.281 -5.532
259 HG SER 36 HG SER 36 8.082 11.061 -3.508
260 H GLY 37 H GLY 37 5.465 7.608 -5.823
261 HA2 GLY 37 1HA GLY 37 6.173 6.785 -8.264
262 HA3 GLY 37 2HA GLY 37 4.568 7.433 -7.963
263 H GLU 38 H GLU 38 4.088 9.566 -8.562
264 HA GLU 38 HA GLU 38 6.023 11.312 -9.701
265 HB2 GLU 38 1HB GLU 38 5.633 9.444 -11.459
266 HB3 GLU 38 2HB GLU 38 4.084 10.233 -11.724
267 HG2 GLU 38 1HG GLU 38 5.493 12.376 -12.028
268 HG3 GLU 38 2HG GLU 38 6.837 11.259 -12.258
269 H LYS 39 H LYS 39 5.133 13.336 -10.334
270 HA LYS 39 HA LYS 39 2.280 13.707 -9.740
271 HB2 LYS 39 1HB LYS 39 2.929 15.869 -8.584
272 HB3 LYS 39 2HB LYS 39 3.303 14.387 -7.715
273 HG2 LYS 39 1HG LYS 39 5.628 14.666 -8.921
274 HG3 LYS 39 2HG LYS 39 5.127 16.358 -8.984
275 HD2 LYS 39 1HD LYS 39 4.841 16.395 -6.579
276 HD3 LYS 39 2HD LYS 39 5.220 14.674 -6.480
277 HE2 LYS 39 1HE LYS 39 7.189 16.510 -7.757
278 HE3 LYS 39 2HE LYS 39 7.048 16.510 -5.999
279 HZ1 LYS 39 3HZ LYS 39 7.473 14.131 -6.002
280 HZ2 LYS 39 1HZ LYS 39 8.742 14.964 -6.751
281 HZ3 LYS 39 2HZ LYS 39 7.607 14.131 -7.688
282 HA PRO 40 HA PRO 40 2.286 16.039 -13.473
283 HB2 PRO 40 1HB PRO 40 0.050 17.522 -13.058
284 HB3 PRO 40 2HB PRO 40 0.001 15.799 -13.450
285 HG2 PRO 40 1HG PRO 40 -0.245 17.144 -10.787
286 HG3 PRO 40 2HG PRO 40 -1.184 15.794 -11.449
287 HD2 PRO 40 1HD PRO 40 0.839 15.434 -9.687
288 HD3 PRO 40 2HD PRO 40 0.448 14.246 -10.947
289 H SER 41 H SER 41 2.669 17.429 -10.385
290 HA SER 41 HA SER 41 2.874 20.163 -11.305
291 HB2 SER 41 1HB SER 41 3.376 20.715 -9.008
292 HB3 SER 41 2HB SER 41 2.041 19.563 -9.019
293 HG SER 41 HG SER 41 3.987 17.995 -8.852
294 H GLY 42 H GLY 42 5.024 17.506 -10.494
295 HA2 GLY 42 1HA GLY 42 7.416 19.098 -10.609
296 HA3 GLY 42 2HA GLY 42 7.331 17.345 -10.529
297 HA PRO 43 HA PRO 43 8.681 17.232 -14.708
298 HB2 PRO 43 1HB PRO 43 7.826 14.743 -15.374
299 HB3 PRO 43 2HB PRO 43 9.216 15.031 -14.321
300 HG2 PRO 43 1HG PRO 43 6.397 14.339 -13.590
301 HG3 PRO 43 2HG PRO 43 7.913 13.709 -12.920
302 HD2 PRO 43 1HD PRO 43 6.450 15.616 -11.674
303 HD3 PRO 43 2HD PRO 43 8.220 15.544 -11.560
304 H SER 44 H SER 44 5.372 16.953 -13.805
305 HA SER 44 HA SER 44 3.402 17.045 -14.985
306 HB2 SER 44 1HB SER 44 3.139 19.099 -16.117
307 HB3 SER 44 2HB SER 44 4.425 19.407 -14.950
308 HG SER 44 HG SER 44 5.931 19.146 -16.613
309 H SER 45 H SER 45 5.207 15.049 -15.993
310 HA SER 45 HA SER 45 5.256 15.158 -18.848
311 HB2 SER 45 1HB SER 45 5.914 13.107 -16.776
312 HB3 SER 45 2HB SER 45 5.676 12.574 -18.441
313 HG SER 45 HG SER 45 7.208 14.519 -18.809
314 H GLY 46 H GLY 46 3.100 15.578 -19.452
315 HA2 GLY 46 1HA GLY 46 1.517 13.823 -20.534
316 HA3 GLY 46 2HA GLY 46 1.141 13.472 -18.853
Start of MODEL 13
1 H1 GLY 1 1H GLY 1 13.896 -15.703 20.077
2 HA2 GLY 1 1HA GLY 1 12.765 -14.265 17.849
3 HA3 GLY 1 2HA GLY 1 12.838 -16.003 17.594
4 H SER 2 H SER 2 10.564 -14.069 17.955
5 HA SER 2 HA SER 2 9.198 -15.568 20.089
6 HB2 SER 2 1HB SER 2 9.809 -13.152 20.692
7 HB3 SER 2 2HB SER 2 8.607 -12.670 19.495
8 HG SER 2 HG SER 2 8.215 -13.424 22.014
9 H SER 3 H SER 3 7.602 -16.723 19.260
10 HA SER 3 HA SER 3 6.420 -15.938 16.708
11 HB2 SER 3 1HB SER 3 6.360 -18.487 18.319
12 HB3 SER 3 2HB SER 3 5.304 -18.236 16.929
13 HG SER 3 HG SER 3 8.107 -17.891 16.775
14 H GLY 4 H GLY 4 4.180 -15.725 16.391
15 HA2 GLY 4 1HA GLY 4 2.132 -16.097 18.177
16 HA3 GLY 4 2HA GLY 4 2.796 -14.524 18.593
17 H SER 5 H SER 5 0.238 -15.638 17.227
18 HA SER 5 HA SER 5 0.024 -13.435 15.347
19 HB2 SER 5 1HB SER 5 -0.931 -14.954 13.576
20 HB3 SER 5 2HB SER 5 0.801 -15.145 13.849
21 HG SER 5 HG SER 5 -1.110 -16.762 15.161
22 H SER 6 H SER 6 -1.735 -12.422 16.033
23 HA SER 6 HA SER 6 -4.087 -14.038 16.769
24 HB2 SER 6 1HB SER 6 -3.212 -11.397 17.965
25 HB3 SER 6 2HB SER 6 -4.697 -12.258 18.371
26 HG SER 6 HG SER 6 -2.022 -13.012 18.882
27 H GLY 7 H GLY 7 -4.869 -13.897 14.619
28 HA2 GLY 7 1HA GLY 7 -6.780 -12.720 13.621
29 HA3 GLY 7 2HA GLY 7 -5.924 -11.220 13.944
30 H THR 8 H THR 8 -5.742 -14.225 12.075
31 HA THR 8 HA THR 8 -3.820 -13.051 10.241
32 HB THR 8 HB THR 8 -5.175 -15.751 10.098
33 HG1 THR 8 HG1 THR 8 -3.587 -15.056 11.930
34 HG21 THR 8 3HG2 THR 8 -4.145 -14.751 7.989
35 HG22 THR 8 1HG2 THR 8 -3.569 -16.345 8.476
36 HG23 THR 8 2HG2 THR 8 -2.590 -14.915 8.805
37 H GLY 9 H GLY 9 -4.198 -12.560 8.092
38 HA2 GLY 9 1HA GLY 9 -6.433 -13.131 6.570
39 HA3 GLY 9 2HA GLY 9 -6.825 -11.662 7.452
40 H GLU 10 H GLU 10 -6.978 -10.949 5.111
41 HA GLU 10 HA GLU 10 -4.395 -9.778 4.358
42 HB2 GLU 10 1HB GLU 10 -6.333 -11.098 2.449
43 HB3 GLU 10 2HB GLU 10 -4.919 -10.170 1.967
44 HG2 GLU 10 1HG GLU 10 -3.675 -11.892 3.517
45 HG3 GLU 10 2HG GLU 10 -5.093 -12.879 3.169
46 H LYS 11 H LYS 11 -4.605 -7.651 4.419
47 HA LYS 11 HA LYS 11 -7.026 -6.269 4.608
48 HB2 LYS 11 1HB LYS 11 -4.274 -5.320 3.801
49 HB3 LYS 11 2HB LYS 11 -5.631 -4.235 4.080
50 HG2 LYS 11 1HG LYS 11 -4.659 -4.146 6.127
51 HG3 LYS 11 2HG LYS 11 -5.724 -5.530 6.384
52 HD2 LYS 11 1HD LYS 11 -3.975 -7.062 6.198
53 HD3 LYS 11 2HD LYS 11 -2.927 -5.907 5.372
54 HE2 LYS 11 1HE LYS 11 -1.983 -5.848 7.446
55 HE3 LYS 11 2HE LYS 11 -3.200 -4.589 7.651
56 HZ1 LYS 11 3HZ LYS 11 -3.185 -6.134 9.512
57 HZ2 LYS 11 1HZ LYS 11 -3.505 -7.428 8.470
58 HZ3 LYS 11 2HZ LYS 11 -4.658 -6.209 8.683
59 HA PRO 12 HA PRO 12 -8.506 -5.828 0.499
60 HB2 PRO 12 1HB PRO 12 -9.613 -3.351 0.598
61 HB3 PRO 12 2HB PRO 12 -10.329 -4.756 1.397
62 HG2 PRO 12 1HG PRO 12 -8.640 -2.574 2.557
63 HG3 PRO 12 2HG PRO 12 -10.104 -3.325 3.216
64 HD2 PRO 12 1HD PRO 12 -7.618 -3.995 4.056
65 HD3 PRO 12 2HD PRO 12 -8.957 -5.160 4.010
66 H TYR 13 H TYR 13 -6.426 -3.310 1.788
67 HA TYR 13 HA TYR 13 -5.733 -2.471 -0.941
68 HB2 TYR 13 1HB TYR 13 -4.946 -1.089 1.624
69 HB3 TYR 13 2HB TYR 13 -4.897 -0.438 -0.011
70 HD1 TYR 13 HD2 TYR 13 -6.994 0.192 -1.156
71 HD2 TYR 13 HD1 TYR 13 -6.970 -1.080 2.904
72 HE1 TYR 13 HE2 TYR 13 -9.246 1.133 -0.854
73 HE2 TYR 13 HE1 TYR 13 -9.222 -0.143 3.217
74 HH TYR 13 HH TYR 13 -10.676 1.530 2.217
75 H ASN 14 H ASN 14 -3.777 -2.874 -1.778
76 HA ASN 14 HA ASN 14 -1.562 -3.605 -0.024
77 HB2 ASN 14 1HB ASN 14 -1.052 -5.599 -1.466
78 HB3 ASN 14 2HB ASN 14 -2.509 -5.762 -0.490
79 HD21 ASN 14 1HD2 ASN 14 -1.201 -6.002 -3.556
80 HD22 ASN 14 2HD2 ASN 14 -2.670 -6.124 -4.458
81 H CYS 15 H CYS 15 0.217 -2.584 -0.652
82 HA CYS 15 HA CYS 15 0.294 -1.045 -3.041
83 HB2 CYS 15 1HB CYS 15 1.460 -0.422 -0.926
84 HB3 CYS 15 2HB CYS 15 2.585 -1.749 -1.196
85 H LYS 16 H LYS 16 1.283 -1.407 -4.962
86 HA LYS 16 HA LYS 16 2.200 -4.137 -5.463
87 HB2 LYS 16 1HB LYS 16 1.935 -3.593 -7.831
88 HB3 LYS 16 2HB LYS 16 0.463 -3.232 -6.939
89 HG2 LYS 16 1HG LYS 16 0.666 -0.983 -7.234
90 HG3 LYS 16 2HG LYS 16 2.428 -1.041 -7.323
91 HD2 LYS 16 1HD LYS 16 1.955 -0.633 -9.519
92 HD3 LYS 16 2HD LYS 16 1.903 -2.397 -9.538
93 HE2 LYS 16 1HE LYS 16 -0.584 -0.854 -8.947
94 HE3 LYS 16 2HE LYS 16 -0.030 -1.001 -10.614
95 HZ1 LYS 16 3HZ LYS 16 0.123 -3.521 -9.906
96 HZ2 LYS 16 1HZ LYS 16 -1.317 -2.845 -10.480
97 HZ3 LYS 16 2HZ LYS 16 -1.083 -3.048 -8.818
98 H GLU 17 H GLU 17 3.359 -0.879 -5.283
99 HA GLU 17 HA GLU 17 5.677 -1.028 -6.816
100 HB2 GLU 17 1HB GLU 17 4.920 0.561 -4.386
101 HB3 GLU 17 2HB GLU 17 6.548 0.668 -5.040
102 HG2 GLU 17 1HG GLU 17 4.129 1.115 -6.751
103 HG3 GLU 17 2HG GLU 17 4.846 2.407 -5.789
104 H CYS 18 H CYS 18 5.363 -1.563 -3.302
105 HA CYS 18 HA CYS 18 7.917 -3.013 -3.362
106 HB2 CYS 18 1HB CYS 18 7.950 -2.699 -0.924
107 HB3 CYS 18 2HB CYS 18 7.800 -1.160 -1.766
108 H GLY 19 H GLY 19 4.540 -3.290 -2.378
109 HA2 GLY 19 1HA GLY 19 3.414 -5.411 -2.653
110 HA3 GLY 19 2HA GLY 19 4.922 -6.210 -2.233
111 H LYS 20 H LYS 20 3.279 -3.515 -0.616
112 HA LYS 20 HA LYS 20 3.268 -5.122 1.845
113 HB2 LYS 20 1HB LYS 20 3.393 -2.174 1.307
114 HB3 LYS 20 2HB LYS 20 2.802 -2.758 2.857
115 HG2 LYS 20 1HG LYS 20 4.971 -4.095 2.986
116 HG3 LYS 20 2HG LYS 20 5.530 -3.077 1.657
117 HD2 LYS 20 1HD LYS 20 5.268 -1.098 2.973
118 HD3 LYS 20 2HD LYS 20 4.457 -1.996 4.258
119 HE2 LYS 20 1HE LYS 20 6.687 -3.373 4.275
120 HE3 LYS 20 2HE LYS 20 7.346 -1.926 3.514
121 HZ1 LYS 20 3HZ LYS 20 6.329 -0.672 5.431
122 HZ2 LYS 20 1HZ LYS 20 7.656 -1.651 5.808
123 HZ3 LYS 20 2HZ LYS 20 6.091 -2.169 6.183
124 H SER 21 H SER 21 1.426 -4.255 3.398
125 HA SER 21 HA SER 21 -1.082 -4.105 1.866
126 HB2 SER 21 1HB SER 21 -0.642 -5.788 4.344
127 HB3 SER 21 2HB SER 21 -2.137 -5.662 3.418
128 HG SER 21 HG SER 21 -0.009 -7.251 2.992
129 H PHE 22 H PHE 22 -2.835 -3.072 2.922
130 HA PHE 22 HA PHE 22 -2.284 -1.700 5.434
131 HB2 PHE 22 1HB PHE 22 -2.988 -0.236 2.882
132 HB3 PHE 22 2HB PHE 22 -2.965 0.491 4.485
133 HD1 PHE 22 HD2 PHE 22 -0.828 -1.197 1.971
134 HD2 PHE 22 HD1 PHE 22 -0.989 1.347 5.380
135 HE1 PHE 22 HE2 PHE 22 1.563 -0.687 1.699
136 HE2 PHE 22 HE1 PHE 22 1.402 1.862 5.112
137 HZ PHE 22 HZ PHE 22 2.682 0.843 3.271
138 H ARG 23 H ARG 23 -4.040 -1.597 6.689
139 HA ARG 23 HA ARG 23 -6.432 -2.880 5.969
140 HB2 ARG 23 1HB ARG 23 -5.669 -1.088 8.261
141 HB3 ARG 23 2HB ARG 23 -7.307 -1.705 8.093
142 HG2 ARG 23 1HG ARG 23 -6.311 -4.016 8.031
143 HG3 ARG 23 2HG ARG 23 -4.777 -3.275 8.494
144 HD2 ARG 23 1HD ARG 23 -6.008 -2.268 10.460
145 HD3 ARG 23 2HD ARG 23 -7.356 -3.327 10.044
146 HE ARG 23 HE ARG 23 -4.885 -4.078 11.307
147 HH11 ARG 23 1HH1 ARG 23 -7.579 -5.182 9.399
148 HH12 ARG 23 2HH1 ARG 23 -7.416 -6.836 9.890
149 HH21 ARG 23 1HH2 ARG 23 -4.660 -6.251 11.960
150 HH22 ARG 23 2HH2 ARG 23 -5.756 -7.443 11.347
151 H TRP 24 H TRP 24 -5.839 0.588 6.564
152 HA TRP 24 HA TRP 24 -8.340 1.222 5.192
153 HB2 TRP 24 1HB TRP 24 -6.454 2.852 6.892
154 HB3 TRP 24 2HB TRP 24 -7.776 3.582 5.985
155 HD1 TRP 24 HD1 TRP 24 -7.045 2.262 9.303
156 HE1 TRP 24 HE1 TRP 24 -9.206 1.767 10.610
157 HE3 TRP 24 HE3 TRP 24 -10.392 2.466 5.444
158 HZ2 TRP 24 HZ2 TRP 24 -11.965 1.498 10.075
159 HZ3 TRP 24 HZ3 TRP 24 -12.773 2.077 5.926
160 HH2 TRP 24 HH2 TRP 24 -13.541 1.603 8.195
161 H ALA 25 H ALA 25 -8.418 2.820 3.517
162 HA ALA 25 HA ALA 25 -6.432 2.468 1.534
163 HB1 ALA 25 3HB ALA 25 -7.718 4.012 0.203
164 HB2 ALA 25 1HB ALA 25 -8.815 2.924 1.055
165 HB3 ALA 25 2HB ALA 25 -8.586 4.576 1.631
166 H SER 26 H SER 26 -7.353 5.360 3.410
167 HA SER 26 HA SER 26 -5.549 7.178 2.498
168 HB2 SER 26 1HB SER 26 -6.221 6.790 5.424
169 HB3 SER 26 2HB SER 26 -5.680 8.283 4.657
170 HG SER 26 HG SER 26 -8.163 7.341 4.890
171 H CYS 27 H CYS 27 -4.940 4.715 4.982
172 HA CYS 27 HA CYS 27 -2.363 5.385 5.698
173 HB2 CYS 27 1HB CYS 27 -3.969 3.449 6.489
174 HB3 CYS 27 2HB CYS 27 -3.053 2.498 5.326
175 HG CYS 27 HG CYS 27 -1.682 1.816 7.474
176 H LEU 28 H LEU 28 -3.273 3.014 3.190
177 HA LEU 28 HA LEU 28 -0.741 2.480 2.217
178 HB2 LEU 28 1HB LEU 28 -2.397 1.089 1.407
179 HB3 LEU 28 2HB LEU 28 -3.468 2.430 1.005
180 HG LEU 28 HG LEU 28 -2.099 2.964 -0.937
181 HD11 LEU 28 1HD1 LEU 28 0.084 2.419 -0.494
182 HD12 LEU 28 2HD1 LEU 28 -0.389 1.073 -1.530
183 HD13 LEU 28 3HD1 LEU 28 -0.333 0.861 0.220
184 HD21 LEU 28 3HD2 LEU 28 -2.473 0.814 -2.207
185 HD22 LEU 28 1HD2 LEU 28 -3.883 1.474 -1.377
186 HD23 LEU 28 2HD2 LEU 28 -3.011 0.107 -0.682
187 H LEU 29 H LEU 29 -2.977 5.062 1.277
188 HA LEU 29 HA LEU 29 -1.554 6.121 -0.862
189 HB2 LEU 29 1HB LEU 29 -3.704 6.955 -0.558
190 HB3 LEU 29 2HB LEU 29 -3.429 7.305 1.147
191 HG LEU 29 HG LEU 29 -1.779 9.097 0.266
192 HD11 LEU 29 1HD1 LEU 29 -2.108 9.920 -1.905
193 HD12 LEU 29 2HD1 LEU 29 -3.561 8.950 -2.146
194 HD13 LEU 29 3HD1 LEU 29 -1.979 8.172 -2.097
195 HD21 LEU 29 3HD2 LEU 29 -4.663 9.670 -0.305
196 HD22 LEU 29 1HD2 LEU 29 -3.446 10.708 0.437
197 HD23 LEU 29 2HD2 LEU 29 -4.110 9.344 1.338
198 H LYS 30 H LYS 30 -1.346 6.961 2.587
199 HA LYS 30 HA LYS 30 0.611 8.950 2.351
200 HB2 LYS 30 1HB LYS 30 -0.817 8.368 4.383
201 HB3 LYS 30 2HB LYS 30 0.344 7.088 4.708
202 HG2 LYS 30 1HG LYS 30 2.088 8.631 5.089
203 HG3 LYS 30 2HG LYS 30 1.149 9.967 4.417
204 HD2 LYS 30 1HD LYS 30 0.251 8.446 6.850
205 HD3 LYS 30 2HD LYS 30 1.338 9.833 6.959
206 HE2 LYS 30 1HE LYS 30 -1.235 10.045 5.447
207 HE3 LYS 30 2HE LYS 30 -1.226 10.184 7.204
208 HZ1 LYS 30 3HZ LYS 30 -0.726 12.310 6.889
209 HZ2 LYS 30 1HZ LYS 30 -0.429 12.088 5.238
210 HZ3 LYS 30 2HZ LYS 30 0.804 11.816 6.363
211 H HIS 31 H HIS 31 0.898 5.452 2.778
212 HA HIS 31 HA HIS 31 3.678 5.344 3.154
213 HB2 HIS 31 1HB HIS 31 2.655 3.344 3.680
214 HB3 HIS 31 2HB HIS 31 1.589 3.397 2.279
215 HD1 HIS 31 HD1 HIS 31 5.216 2.703 3.130
216 HD2 HIS 31 HD2 HIS 31 2.428 1.909 0.154
217 HE1 HIS 31 HE1 HIS 31 6.339 1.078 1.572
218 H GLN 32 H GLN 32 1.708 5.297 0.222
219 HA GLN 32 HA GLN 32 3.491 4.608 -1.710
220 HB2 GLN 32 1HB GLN 32 1.422 6.804 -1.760
221 HB3 GLN 32 2HB GLN 32 2.299 6.279 -3.191
222 HG2 GLN 32 1HG GLN 32 1.360 4.083 -3.039
223 HG3 GLN 32 2HG GLN 32 0.615 4.461 -1.487
224 HE21 GLN 32 1HE2 GLN 32 -1.355 3.761 -2.531
225 HE22 GLN 32 2HE2 GLN 32 -2.239 4.876 -3.512
226 H ARG 33 H ARG 33 3.570 7.440 0.270
227 HA ARG 33 HA ARG 33 5.044 9.228 -1.213
228 HB2 ARG 33 1HB ARG 33 5.053 8.596 1.728
229 HB3 ARG 33 2HB ARG 33 6.074 9.864 1.063
230 HG2 ARG 33 1HG ARG 33 4.156 11.073 0.273
231 HG3 ARG 33 2HG ARG 33 3.083 9.755 0.749
232 HD2 ARG 33 1HD ARG 33 4.572 11.701 2.468
233 HD3 ARG 33 2HD ARG 33 2.859 11.283 2.487
234 HE ARG 33 HE ARG 33 3.336 9.463 3.823
235 HH11 ARG 33 1HH1 ARG 33 6.283 10.895 2.648
236 HH12 ARG 33 2HH1 ARG 33 7.303 9.989 3.716
237 HH21 ARG 33 1HH2 ARG 33 4.668 8.265 5.235
238 HH22 ARG 33 2HH2 ARG 33 6.383 8.493 5.187
239 H VAL 34 H VAL 34 6.236 6.496 0.710
240 HA VAL 34 HA VAL 34 8.957 6.885 0.487
241 HB VAL 34 HB VAL 34 9.202 4.428 0.683
242 HG11 VAL 34 1HG1 VAL 34 7.760 4.231 2.800
243 HG12 VAL 34 2HG1 VAL 34 8.976 5.508 2.739
244 HG13 VAL 34 3HG1 VAL 34 7.277 5.892 2.456
245 HG21 VAL 34 3HG2 VAL 34 6.485 4.507 -0.334
246 HG22 VAL 34 1HG2 VAL 34 7.633 3.169 -0.279
247 HG23 VAL 34 2HG2 VAL 34 6.625 3.525 1.124
248 H HIS 35 H HIS 35 6.693 5.908 -1.946
249 HA HIS 35 HA HIS 35 8.822 5.098 -3.775
250 HB2 HIS 35 1HB HIS 35 5.813 5.055 -4.084
251 HB3 HIS 35 2HB HIS 35 6.955 4.478 -5.295
252 HD1 HIS 35 HD1 HIS 35 8.683 2.547 -4.178
253 HD2 HIS 35 HD2 HIS 35 4.899 3.049 -2.538
254 HE1 HIS 35 HE1 HIS 35 8.210 0.423 -2.917
255 H SER 36 H SER 36 6.505 7.665 -3.244
256 HA SER 36 HA SER 36 6.655 8.935 -5.736
257 HB2 SER 36 1HB SER 36 5.917 9.802 -2.973
258 HB3 SER 36 2HB SER 36 6.158 11.039 -4.206
259 HG SER 36 HG SER 36 4.245 8.978 -4.101
260 H GLY 37 H GLY 37 8.577 9.410 -2.785
261 HA2 GLY 37 1HA GLY 37 10.396 11.150 -4.309
262 HA3 GLY 37 2HA GLY 37 10.298 11.063 -2.557
263 H GLU 38 H GLU 38 10.519 8.431 -2.010
264 HA GLU 38 HA GLU 38 11.950 6.656 -1.880
265 HB2 GLU 38 1HB GLU 38 11.815 6.805 -4.438
266 HB3 GLU 38 2HB GLU 38 13.352 7.653 -4.351
267 HG2 GLU 38 1HG GLU 38 14.210 5.644 -3.054
268 HG3 GLU 38 2HG GLU 38 12.743 4.821 -3.579
269 H LYS 39 H LYS 39 12.444 8.985 -0.452
270 HA LYS 39 HA LYS 39 15.131 8.609 0.322
271 HB2 LYS 39 1HB LYS 39 15.763 9.841 -1.622
272 HB3 LYS 39 2HB LYS 39 14.527 11.058 -1.333
273 HG2 LYS 39 1HG LYS 39 15.842 11.449 0.888
274 HG3 LYS 39 2HG LYS 39 17.160 10.674 0.006
275 HD2 LYS 39 1HD LYS 39 17.280 12.371 -1.563
276 HD3 LYS 39 2HD LYS 39 15.621 12.899 -1.268
277 HE2 LYS 39 1HE LYS 39 17.682 13.126 0.888
278 HE3 LYS 39 2HE LYS 39 17.609 14.332 -0.396
279 HZ1 LYS 39 3HZ LYS 39 15.544 15.052 0.278
280 HZ2 LYS 39 1HZ LYS 39 16.272 14.696 1.763
281 HZ3 LYS 39 2HZ LYS 39 15.167 13.612 1.081
282 HA PRO 40 HA PRO 40 13.378 10.363 3.959
283 HB2 PRO 40 1HB PRO 40 15.663 10.866 5.337
284 HB3 PRO 40 2HB PRO 40 15.016 9.236 5.111
285 HG2 PRO 40 1HG PRO 40 17.206 10.629 3.618
286 HG3 PRO 40 2HG PRO 40 17.141 8.958 4.208
287 HD2 PRO 40 1HD PRO 40 16.661 9.610 1.625
288 HD3 PRO 40 2HD PRO 40 15.858 8.247 2.430
289 H SER 41 H SER 41 12.510 12.331 4.055
290 HA SER 41 HA SER 41 13.548 14.618 2.819
291 HB2 SER 41 1HB SER 41 11.133 14.108 3.628
292 HB3 SER 41 2HB SER 41 11.674 14.779 5.167
293 HG SER 41 HG SER 41 10.800 16.117 3.121
294 H GLY 42 H GLY 42 15.261 15.787 3.354
295 HA2 GLY 42 1HA GLY 42 15.963 17.328 5.272
296 HA3 GLY 42 2HA GLY 42 16.106 15.829 6.178
297 HA PRO 43 HA PRO 43 20.002 16.940 3.611
298 HB2 PRO 43 1HB PRO 43 21.464 18.220 5.507
299 HB3 PRO 43 2HB PRO 43 20.392 19.068 4.386
300 HG2 PRO 43 1HG PRO 43 19.906 18.263 7.228
301 HG3 PRO 43 2HG PRO 43 19.508 19.787 6.414
302 HD2 PRO 43 1HD PRO 43 17.670 17.849 6.857
303 HD3 PRO 43 2HD PRO 43 17.609 18.916 5.440
304 H SER 44 H SER 44 19.680 16.113 7.049
305 HA SER 44 HA SER 44 21.225 13.700 6.627
306 HB2 SER 44 1HB SER 44 22.226 16.009 8.258
307 HB3 SER 44 2HB SER 44 22.623 14.361 8.746
308 HG SER 44 HG SER 44 24.124 15.479 7.254
309 H SER 45 H SER 45 21.004 12.174 8.326
310 HA SER 45 HA SER 45 18.598 12.618 9.928
311 HB2 SER 45 1HB SER 45 18.732 10.601 8.476
312 HB3 SER 45 2HB SER 45 20.109 10.042 9.426
313 HG SER 45 HG SER 45 17.444 10.439 10.310
314 H GLY 46 H GLY 46 18.527 11.903 12.160
315 HA2 GLY 46 1HA GLY 46 20.601 12.957 13.719
316 HA3 GLY 46 2HA GLY 46 19.310 11.925 14.316
Start of MODEL 14
1 H1 GLY 1 1H GLY 1 6.804 -26.229 5.652
2 HA2 GLY 1 1HA GLY 1 5.841 -24.177 7.458
3 HA3 GLY 1 2HA GLY 1 4.909 -25.515 6.802
4 H SER 2 H SER 2 5.786 -24.277 9.600
5 HA SER 2 HA SER 2 6.138 -26.909 10.880
6 HB2 SER 2 1HB SER 2 8.110 -25.266 11.006
7 HB3 SER 2 2HB SER 2 7.094 -24.318 12.091
8 HG SER 2 HG SER 2 7.163 -25.905 13.572
9 H SER 3 H SER 3 3.863 -27.124 11.056
10 HA SER 3 HA SER 3 1.803 -26.875 12.005
11 HB2 SER 3 1HB SER 3 3.180 -27.571 13.966
12 HB3 SER 3 2HB SER 3 3.413 -25.869 14.364
13 HG SER 3 HG SER 3 1.597 -26.032 15.392
14 H GLY 4 H GLY 4 2.499 -24.725 10.382
15 HA2 GLY 4 1HA GLY 4 1.476 -22.709 9.861
16 HA3 GLY 4 2HA GLY 4 0.751 -22.698 11.462
17 H SER 5 H SER 5 2.996 -21.241 9.481
18 HA SER 5 HA SER 5 4.894 -20.464 11.499
19 HB2 SER 5 1HB SER 5 5.328 -20.684 8.972
20 HB3 SER 5 2HB SER 5 4.536 -19.115 8.826
21 HG SER 5 HG SER 5 6.597 -18.561 9.117
22 H SER 6 H SER 6 2.459 -18.695 9.585
23 HA SER 6 HA SER 6 1.660 -17.127 11.840
24 HB2 SER 6 1HB SER 6 2.332 -14.930 10.901
25 HB3 SER 6 2HB SER 6 3.720 -15.931 11.324
26 HG SER 6 HG SER 6 4.174 -16.220 9.239
27 H GLY 7 H GLY 7 -0.055 -15.573 11.281
28 HA2 GLY 7 1HA GLY 7 -1.366 -16.249 8.722
29 HA3 GLY 7 2HA GLY 7 -2.263 -16.208 10.233
30 H THR 8 H THR 8 -0.056 -14.110 8.376
31 HA THR 8 HA THR 8 -0.729 -11.671 9.402
32 HB THR 8 HB THR 8 -0.324 -12.140 6.445
33 HG1 THR 8 HG1 THR 8 1.432 -12.322 8.617
34 HG21 THR 8 3HG2 THR 8 1.009 -9.847 7.479
35 HG22 THR 8 1HG2 THR 8 -0.669 -9.801 8.019
36 HG23 THR 8 2HG2 THR 8 -0.299 -9.919 6.298
37 H GLY 9 H GLY 9 -2.618 -10.693 9.686
38 HA2 GLY 9 1HA GLY 9 -5.076 -11.484 8.770
39 HA3 GLY 9 2HA GLY 9 -4.701 -9.829 9.227
40 H GLU 10 H GLU 10 -6.181 -11.407 6.925
41 HA GLU 10 HA GLU 10 -4.943 -10.502 4.532
42 HB2 GLU 10 1HB GLU 10 -6.631 -12.399 4.792
43 HB3 GLU 10 2HB GLU 10 -7.868 -11.152 4.855
44 HG2 GLU 10 1HG GLU 10 -7.825 -11.885 2.632
45 HG3 GLU 10 2HG GLU 10 -6.976 -10.340 2.634
46 H LYS 11 H LYS 11 -4.857 -8.506 3.769
47 HA LYS 11 HA LYS 11 -6.897 -6.570 4.645
48 HB2 LYS 11 1HB LYS 11 -3.971 -6.309 4.082
49 HB3 LYS 11 2HB LYS 11 -5.015 -4.915 3.839
50 HG2 LYS 11 1HG LYS 11 -5.583 -4.799 6.102
51 HG3 LYS 11 2HG LYS 11 -5.015 -6.440 6.419
52 HD2 LYS 11 1HD LYS 11 -2.756 -5.798 6.282
53 HD3 LYS 11 2HD LYS 11 -3.155 -4.261 5.510
54 HE2 LYS 11 1HE LYS 11 -4.254 -3.537 7.598
55 HE3 LYS 11 2HE LYS 11 -3.769 -5.052 8.357
56 HZ1 LYS 11 3HZ LYS 11 -1.487 -4.460 8.132
57 HZ2 LYS 11 1HZ LYS 11 -2.283 -3.147 8.842
58 HZ3 LYS 11 2HZ LYS 11 -1.859 -3.095 7.205
59 HA PRO 12 HA PRO 12 -8.260 -6.204 0.475
60 HB2 PRO 12 1HB PRO 12 -9.360 -3.725 0.595
61 HB3 PRO 12 2HB PRO 12 -10.111 -5.146 1.330
62 HG2 PRO 12 1HG PRO 12 -8.457 -3.002 2.608
63 HG3 PRO 12 2HG PRO 12 -9.949 -3.763 3.193
64 HD2 PRO 12 1HD PRO 12 -7.499 -4.466 4.108
65 HD3 PRO 12 2HD PRO 12 -8.840 -5.623 3.982
66 H TYR 13 H TYR 13 -6.575 -3.376 1.830
67 HA TYR 13 HA TYR 13 -5.691 -2.560 -0.813
68 HB2 TYR 13 1HB TYR 13 -4.962 -1.336 1.851
69 HB3 TYR 13 2HB TYR 13 -4.812 -0.597 0.261
70 HD1 TYR 13 HD2 TYR 13 -6.769 0.277 -0.895
71 HD2 TYR 13 HD1 TYR 13 -7.112 -1.481 2.965
72 HE1 TYR 13 HE2 TYR 13 -9.014 1.254 -0.656
73 HE2 TYR 13 HE1 TYR 13 -9.358 -0.510 3.214
74 HH TYR 13 HH TYR 13 -10.600 1.838 1.009
75 H ASN 14 H ASN 14 -3.792 -3.062 -1.689
76 HA ASN 14 HA ASN 14 -1.554 -3.823 0.032
77 HB2 ASN 14 1HB ASN 14 -2.309 -5.509 -2.355
78 HB3 ASN 14 2HB ASN 14 -1.114 -5.866 -1.111
79 HD21 ASN 14 1HD2 ASN 14 -4.083 -6.645 -2.185
80 HD22 ASN 14 2HD2 ASN 14 -4.794 -7.221 -0.719
81 H CYS 15 H CYS 15 0.058 -2.528 -0.521
82 HA CYS 15 HA CYS 15 0.199 -0.948 -2.795
83 HB2 CYS 15 1HB CYS 15 1.527 -0.493 -0.800
84 HB3 CYS 15 2HB CYS 15 2.463 -1.961 -1.064
85 H LYS 16 H LYS 16 1.238 -1.102 -4.759
86 HA LYS 16 HA LYS 16 1.855 -3.833 -5.623
87 HB2 LYS 16 1HB LYS 16 1.263 -1.327 -7.206
88 HB3 LYS 16 2HB LYS 16 1.664 -2.881 -7.924
89 HG2 LYS 16 1HG LYS 16 -0.647 -2.590 -6.041
90 HG3 LYS 16 2HG LYS 16 -0.802 -2.219 -7.759
91 HD2 LYS 16 1HD LYS 16 -0.142 -4.466 -8.347
92 HD3 LYS 16 2HD LYS 16 0.178 -4.850 -6.654
93 HE2 LYS 16 1HE LYS 16 -2.525 -3.997 -7.668
94 HE3 LYS 16 2HE LYS 16 -2.018 -5.684 -7.586
95 HZ1 LYS 16 3HZ LYS 16 -3.310 -4.915 -5.635
96 HZ2 LYS 16 1HZ LYS 16 -2.051 -3.851 -5.252
97 HZ3 LYS 16 2HZ LYS 16 -1.782 -5.521 -5.235
98 H GLU 17 H GLU 17 3.295 -0.728 -5.102
99 HA GLU 17 HA GLU 17 5.573 -0.971 -6.727
100 HB2 GLU 17 1HB GLU 17 4.958 0.588 -4.237
101 HB3 GLU 17 2HB GLU 17 6.579 0.600 -4.915
102 HG2 GLU 17 1HG GLU 17 4.089 1.389 -6.407
103 HG3 GLU 17 2HG GLU 17 5.202 2.514 -5.631
104 H CYS 18 H CYS 18 5.400 -1.407 -3.188
105 HA CYS 18 HA CYS 18 7.800 -3.064 -3.307
106 HB2 CYS 18 1HB CYS 18 7.794 -2.878 -0.851
107 HB3 CYS 18 2HB CYS 18 7.740 -1.296 -1.621
108 H GLY 19 H GLY 19 4.421 -3.240 -2.262
109 HA2 GLY 19 1HA GLY 19 3.207 -5.304 -2.704
110 HA3 GLY 19 2HA GLY 19 4.675 -6.181 -2.300
111 H LYS 20 H LYS 20 3.503 -3.445 -0.456
112 HA LYS 20 HA LYS 20 3.332 -5.137 1.902
113 HB2 LYS 20 1HB LYS 20 3.461 -2.201 1.389
114 HB3 LYS 20 2HB LYS 20 2.738 -2.748 2.896
115 HG2 LYS 20 1HG LYS 20 4.827 -4.049 3.330
116 HG3 LYS 20 2HG LYS 20 5.535 -3.262 1.918
117 HD2 LYS 20 1HD LYS 20 5.332 -1.107 2.930
118 HD3 LYS 20 2HD LYS 20 4.373 -1.761 4.260
119 HE2 LYS 20 1HE LYS 20 6.531 -1.474 5.143
120 HE3 LYS 20 2HE LYS 20 6.401 -3.199 4.803
121 HZ1 LYS 20 3HZ LYS 20 8.459 -1.724 4.034
122 HZ2 LYS 20 1HZ LYS 20 7.477 -1.543 2.669
123 HZ3 LYS 20 2HZ LYS 20 7.939 -3.088 3.178
124 H SER 21 H SER 21 1.470 -4.241 3.481
125 HA SER 21 HA SER 21 -1.048 -4.301 1.951
126 HB2 SER 21 1HB SER 21 -2.025 -5.704 3.730
127 HB3 SER 21 2HB SER 21 -0.651 -6.500 2.962
128 HG SER 21 HG SER 21 0.481 -5.286 4.865
129 H PHE 22 H PHE 22 -2.928 -3.481 3.188
130 HA PHE 22 HA PHE 22 -2.419 -1.790 5.462
131 HB2 PHE 22 1HB PHE 22 -3.216 -0.519 2.834
132 HB3 PHE 22 2HB PHE 22 -3.097 0.306 4.385
133 HD1 PHE 22 HD2 PHE 22 -1.181 -1.341 1.709
134 HD2 PHE 22 HD1 PHE 22 -1.005 1.021 5.245
135 HE1 PHE 22 HE2 PHE 22 1.187 -0.850 1.258
136 HE2 PHE 22 HE1 PHE 22 1.364 1.517 4.800
137 HZ PHE 22 HZ PHE 22 2.463 0.580 2.805
138 H ARG 23 H ARG 23 -4.282 -1.220 6.553
139 HA ARG 23 HA ARG 23 -6.626 -2.752 5.877
140 HB2 ARG 23 1HB ARG 23 -5.589 -2.182 8.235
141 HB3 ARG 23 2HB ARG 23 -6.597 -0.748 8.094
142 HG2 ARG 23 1HG ARG 23 -7.812 -3.424 7.613
143 HG3 ARG 23 2HG ARG 23 -7.490 -2.903 9.268
144 HD2 ARG 23 1HD ARG 23 -8.948 -1.088 9.106
145 HD3 ARG 23 2HD ARG 23 -8.948 -1.129 7.343
146 HE ARG 23 HE ARG 23 -10.069 -3.482 7.938
147 HH11 ARG 23 1HH1 ARG 23 -10.678 -0.271 9.137
148 HH12 ARG 23 2HH1 ARG 23 -12.357 -0.565 9.448
149 HH21 ARG 23 1HH2 ARG 23 -12.278 -3.881 8.342
150 HH22 ARG 23 2HH2 ARG 23 -13.266 -2.619 8.996
151 H TRP 24 H TRP 24 -5.816 0.690 6.180
152 HA TRP 24 HA TRP 24 -8.359 1.341 4.850
153 HB2 TRP 24 1HB TRP 24 -6.574 2.943 6.678
154 HB3 TRP 24 2HB TRP 24 -7.827 3.699 5.697
155 HD1 TRP 24 HD1 TRP 24 -7.352 2.475 9.058
156 HE1 TRP 24 HE1 TRP 24 -9.590 1.926 10.204
157 HE3 TRP 24 HE3 TRP 24 -10.378 2.409 4.938
158 HZ2 TRP 24 HZ2 TRP 24 -12.282 1.518 9.460
159 HZ3 TRP 24 HZ3 TRP 24 -12.773 1.931 5.242
160 HH2 TRP 24 HH2 TRP 24 -13.703 1.495 7.457
161 H ALA 25 H ALA 25 -8.365 2.930 3.177
162 HA ALA 25 HA ALA 25 -6.322 2.609 1.273
163 HB1 ALA 25 3HB ALA 25 -8.810 4.147 1.489
164 HB2 ALA 25 1HB ALA 25 -7.593 4.854 0.427
165 HB3 ALA 25 2HB ALA 25 -8.165 3.210 0.142
166 H SER 26 H SER 26 -7.173 5.450 3.254
167 HA SER 26 HA SER 26 -5.213 7.189 2.420
168 HB2 SER 26 1HB SER 26 -5.381 8.202 4.714
169 HB3 SER 26 2HB SER 26 -6.937 7.936 3.927
170 HG SER 26 HG SER 26 -6.995 5.912 5.145
171 H CYS 27 H CYS 27 -4.967 4.608 4.818
172 HA CYS 27 HA CYS 27 -2.421 5.179 5.804
173 HB2 CYS 27 1HB CYS 27 -4.024 2.654 5.562
174 HB3 CYS 27 2HB CYS 27 -2.368 2.593 6.153
175 HG CYS 27 HG CYS 27 -2.780 4.056 8.412
176 H LEU 28 H LEU 28 -3.426 3.422 2.923
177 HA LEU 28 HA LEU 28 -0.785 2.534 2.258
178 HB2 LEU 28 1HB LEU 28 -2.423 1.165 1.381
179 HB3 LEU 28 2HB LEU 28 -3.445 2.521 0.906
180 HG LEU 28 HG LEU 28 -1.890 3.012 -0.943
181 HD11 LEU 28 1HD1 LEU 28 0.152 2.159 -0.992
182 HD12 LEU 28 2HD1 LEU 28 -0.513 0.527 -1.070
183 HD13 LEU 28 3HD1 LEU 28 -0.185 1.272 0.495
184 HD21 LEU 28 3HD2 LEU 28 -2.297 0.606 -2.048
185 HD22 LEU 28 1HD2 LEU 28 -3.579 1.797 -1.830
186 HD23 LEU 28 2HD2 LEU 28 -3.391 0.482 -0.669
187 H LEU 29 H LEU 29 -2.884 5.189 1.242
188 HA LEU 29 HA LEU 29 -1.344 6.174 -0.864
189 HB2 LEU 29 1HB LEU 29 -3.472 7.079 -0.682
190 HB3 LEU 29 2HB LEU 29 -3.289 7.413 1.039
191 HG LEU 29 HG LEU 29 -1.626 9.207 0.376
192 HD11 LEU 29 1HD1 LEU 29 -2.875 8.795 -2.336
193 HD12 LEU 29 2HD1 LEU 29 -1.221 8.364 -1.905
194 HD13 LEU 29 3HD1 LEU 29 -1.725 10.053 -1.882
195 HD21 LEU 29 3HD2 LEU 29 -3.307 10.820 0.132
196 HD22 LEU 29 1HD2 LEU 29 -4.083 9.500 1.008
197 HD23 LEU 29 2HD2 LEU 29 -4.377 9.705 -0.719
198 H LYS 30 H LYS 30 -1.202 6.902 2.601
199 HA LYS 30 HA LYS 30 0.748 8.909 2.490
200 HB2 LYS 30 1HB LYS 30 -0.726 8.104 4.470
201 HB3 LYS 30 2HB LYS 30 0.574 6.957 4.767
202 HG2 LYS 30 1HG LYS 30 1.113 8.719 6.157
203 HG3 LYS 30 2HG LYS 30 2.107 9.032 4.732
204 HD2 LYS 30 1HD LYS 30 1.172 11.113 5.216
205 HD3 LYS 30 2HD LYS 30 0.133 10.482 3.936
206 HE2 LYS 30 1HE LYS 30 -1.392 9.632 5.754
207 HE3 LYS 30 2HE LYS 30 -0.418 10.557 6.896
208 HZ1 LYS 30 3HZ LYS 30 -1.341 12.471 6.246
209 HZ2 LYS 30 1HZ LYS 30 -2.566 11.508 5.586
210 HZ3 LYS 30 2HZ LYS 30 -1.308 12.065 4.604
211 H HIS 31 H HIS 31 1.081 5.399 2.923
212 HA HIS 31 HA HIS 31 3.856 5.317 3.236
213 HB2 HIS 31 1HB HIS 31 2.882 3.294 3.745
214 HB3 HIS 31 2HB HIS 31 1.775 3.361 2.378
215 HD1 HIS 31 HD1 HIS 31 5.515 2.911 2.935
216 HD2 HIS 31 HD2 HIS 31 2.478 1.685 0.379
217 HE1 HIS 31 HE1 HIS 31 6.583 1.263 1.364
218 H GLN 32 H GLN 32 1.875 5.149 0.301
219 HA GLN 32 HA GLN 32 3.728 4.569 -1.610
220 HB2 GLN 32 1HB GLN 32 1.409 6.485 -1.664
221 HB3 GLN 32 2HB GLN 32 2.392 6.193 -3.093
222 HG2 GLN 32 1HG GLN 32 1.874 3.749 -2.816
223 HG3 GLN 32 2HG GLN 32 0.702 4.220 -1.587
224 HE21 GLN 32 1HE2 GLN 32 -1.284 4.686 -2.229
225 HE22 GLN 32 2HE2 GLN 32 -1.772 4.990 -3.858
226 H ARG 33 H ARG 33 3.571 7.406 0.340
227 HA ARG 33 HA ARG 33 4.820 9.343 -1.133
228 HB2 ARG 33 1HB ARG 33 5.005 8.622 1.776
229 HB3 ARG 33 2HB ARG 33 5.942 9.961 1.127
230 HG2 ARG 33 1HG ARG 33 3.800 10.937 0.279
231 HG3 ARG 33 2HG ARG 33 2.950 9.675 1.174
232 HD2 ARG 33 1HD ARG 33 3.582 10.531 3.233
233 HD3 ARG 33 2HD ARG 33 4.957 11.405 2.559
234 HE ARG 33 HE ARG 33 2.470 12.389 1.568
235 HH11 ARG 33 1HH1 ARG 33 4.648 12.493 4.282
236 HH12 ARG 33 2HH1 ARG 33 4.126 14.059 4.807
237 HH21 ARG 33 1HH2 ARG 33 1.774 14.451 2.249
238 HH22 ARG 33 2HH2 ARG 33 2.491 15.172 3.651
239 H VAL 34 H VAL 34 6.358 6.664 0.607
240 HA VAL 34 HA VAL 34 9.024 7.372 0.124
241 HB VAL 34 HB VAL 34 9.620 5.128 0.687
242 HG11 VAL 34 1HG1 VAL 34 9.064 5.930 2.716
243 HG12 VAL 34 2HG1 VAL 34 7.472 6.471 2.182
244 HG13 VAL 34 3HG1 VAL 34 7.736 4.776 2.595
245 HG21 VAL 34 3HG2 VAL 34 7.949 4.087 -0.887
246 HG22 VAL 34 1HG2 VAL 34 8.141 3.270 0.664
247 HG23 VAL 34 2HG2 VAL 34 6.740 4.302 0.379
248 H HIS 35 H HIS 35 6.664 5.736 -1.874
249 HA HIS 35 HA HIS 35 8.621 4.961 -3.861
250 HB2 HIS 35 1HB HIS 35 5.601 4.805 -3.845
251 HB3 HIS 35 2HB HIS 35 6.621 4.179 -5.137
252 HD1 HIS 35 HD1 HIS 35 8.575 2.426 -4.047
253 HD2 HIS 35 HD2 HIS 35 4.920 2.855 -2.119
254 HE1 HIS 35 HE1 HIS 35 8.328 0.378 -2.610
255 H SER 36 H SER 36 6.396 7.568 -3.282
256 HA SER 36 HA SER 36 6.119 8.601 -5.857
257 HB2 SER 36 1HB SER 36 6.099 9.905 -3.140
258 HB3 SER 36 2HB SER 36 5.843 10.836 -4.615
259 HG SER 36 HG SER 36 4.125 9.229 -3.283
260 H GLY 37 H GLY 37 7.064 10.827 -6.486
261 HA2 GLY 37 1HA GLY 37 9.842 10.484 -6.915
262 HA3 GLY 37 2HA GLY 37 8.910 11.922 -7.305
263 H GLU 38 H GLU 38 10.512 13.341 -6.621
264 HA GLU 38 HA GLU 38 11.926 14.414 -5.148
265 HB2 GLU 38 1HB GLU 38 10.715 15.548 -3.437
266 HB3 GLU 38 2HB GLU 38 9.615 15.341 -4.792
267 HG2 GLU 38 1HG GLU 38 9.609 13.275 -2.664
268 HG3 GLU 38 2HG GLU 38 8.884 14.842 -2.310
269 H LYS 39 H LYS 39 12.214 11.578 -4.979
270 HA LYS 39 HA LYS 39 12.751 11.219 -2.105
271 HB2 LYS 39 1HB LYS 39 11.227 9.537 -2.834
272 HB3 LYS 39 2HB LYS 39 12.174 9.211 -4.280
273 HG2 LYS 39 1HG LYS 39 14.033 8.558 -2.573
274 HG3 LYS 39 2HG LYS 39 12.673 8.383 -1.461
275 HD2 LYS 39 1HD LYS 39 12.862 6.252 -2.345
276 HD3 LYS 39 2HD LYS 39 11.624 6.974 -3.376
277 HE2 LYS 39 1HE LYS 39 14.481 7.209 -4.186
278 HE3 LYS 39 2HE LYS 39 13.669 5.658 -4.396
279 HZ1 LYS 39 3HZ LYS 39 13.283 8.157 -5.816
280 HZ2 LYS 39 1HZ LYS 39 11.863 7.321 -5.430
281 HZ3 LYS 39 2HZ LYS 39 13.067 6.564 -6.345
282 HA PRO 40 HA PRO 40 17.066 11.266 -2.983
283 HB2 PRO 40 1HB PRO 40 17.956 9.892 -0.818
284 HB3 PRO 40 2HB PRO 40 17.368 11.556 -0.724
285 HG2 PRO 40 1HG PRO 40 15.944 9.005 -0.073
286 HG3 PRO 40 2HG PRO 40 15.954 10.539 0.816
287 HD2 PRO 40 1HD PRO 40 13.913 9.808 -0.807
288 HD3 PRO 40 2HD PRO 40 14.393 11.502 -0.580
289 H SER 41 H SER 41 18.984 9.632 -2.884
290 HA SER 41 HA SER 41 18.200 7.364 -4.508
291 HB2 SER 41 1HB SER 41 20.247 8.967 -4.846
292 HB3 SER 41 2HB SER 41 21.031 7.905 -3.676
293 HG SER 41 HG SER 41 20.745 6.191 -5.057
294 H GLY 42 H GLY 42 18.368 5.234 -3.971
295 HA2 GLY 42 1HA GLY 42 19.631 4.460 -1.465
296 HA3 GLY 42 2HA GLY 42 17.890 4.234 -1.545
297 HA PRO 43 HA PRO 43 18.622 0.249 -3.243
298 HB2 PRO 43 1HB PRO 43 16.222 -0.165 -4.442
299 HB3 PRO 43 2HB PRO 43 16.444 -0.225 -2.689
300 HG2 PRO 43 1HG PRO 43 15.389 2.001 -4.390
301 HG3 PRO 43 2HG PRO 43 14.788 1.401 -2.833
302 HD2 PRO 43 1HD PRO 43 16.312 3.629 -3.046
303 HD3 PRO 43 2HD PRO 43 16.377 2.559 -1.631
304 H SER 44 H SER 44 18.957 -0.849 -5.221
305 HA SER 44 HA SER 44 18.569 0.615 -7.705
306 HB2 SER 44 1HB SER 44 21.298 -0.195 -6.681
307 HB3 SER 44 2HB SER 44 20.973 0.262 -8.353
308 HG SER 44 HG SER 44 19.965 2.211 -7.104
309 H SER 45 H SER 45 19.048 -0.713 -9.614
310 HA SER 45 HA SER 45 19.388 -3.556 -9.233
311 HB2 SER 45 1HB SER 45 16.893 -2.958 -8.854
312 HB3 SER 45 2HB SER 45 16.846 -2.703 -10.598
313 HG SER 45 HG SER 45 17.998 -5.066 -9.679
314 H GLY 46 H GLY 46 19.289 -4.725 -11.374
315 HA2 GLY 46 1HA GLY 46 21.058 -3.628 -13.192
316 HA3 GLY 46 2HA GLY 46 19.952 -4.943 -13.563
Start of MODEL 15
1 H1 GLY 1 1H GLY 1 13.407 -8.288 9.708
2 HA2 GLY 1 1HA GLY 1 13.040 -5.557 10.245
3 HA3 GLY 1 2HA GLY 1 12.325 -5.908 8.678
4 H SER 2 H SER 2 10.195 -6.003 8.926
5 HA SER 2 HA SER 2 9.135 -7.554 11.198
6 HB2 SER 2 1HB SER 2 8.643 -5.115 11.335
7 HB3 SER 2 2HB SER 2 7.782 -5.234 9.800
8 HG SER 2 HG SER 2 7.140 -6.582 12.215
9 H SER 3 H SER 3 9.260 -9.444 9.848
10 HA SER 3 HA SER 3 6.955 -9.646 8.043
11 HB2 SER 3 1HB SER 3 8.278 -11.014 6.472
12 HB3 SER 3 2HB SER 3 8.933 -9.384 6.620
13 HG SER 3 HG SER 3 10.729 -10.364 7.076
14 H GLY 4 H GLY 4 5.659 -10.959 9.181
15 HA2 GLY 4 1HA GLY 4 6.626 -13.015 10.909
16 HA3 GLY 4 2HA GLY 4 4.952 -12.748 10.447
17 H SER 5 H SER 5 5.325 -15.243 10.617
18 HA SER 5 HA SER 5 6.571 -16.489 8.360
19 HB2 SER 5 1HB SER 5 4.993 -17.410 10.717
20 HB3 SER 5 2HB SER 5 5.091 -18.486 9.323
21 HG SER 5 HG SER 5 7.278 -18.575 9.541
22 H SER 6 H SER 6 5.524 -15.384 6.619
23 HA SER 6 HA SER 6 3.858 -14.959 5.095
24 HB2 SER 6 1HB SER 6 3.060 -16.942 4.028
25 HB3 SER 6 2HB SER 6 4.668 -17.321 4.645
26 HG SER 6 HG SER 6 3.290 -18.988 5.199
27 H GLY 7 H GLY 7 2.994 -14.192 7.601
28 HA2 GLY 7 1HA GLY 7 0.698 -15.209 8.671
29 HA3 GLY 7 2HA GLY 7 1.021 -13.485 8.561
30 H THR 8 H THR 8 -1.531 -14.863 8.392
31 HA THR 8 HA THR 8 -2.585 -15.266 5.907
32 HB THR 8 HB THR 8 -3.939 -13.780 8.168
33 HG1 THR 8 HG1 THR 8 -3.490 -15.737 8.989
34 HG21 THR 8 3HG2 THR 8 -4.965 -13.724 5.796
35 HG22 THR 8 1HG2 THR 8 -5.993 -14.203 7.146
36 HG23 THR 8 2HG2 THR 8 -5.316 -15.429 6.074
37 H GLY 9 H GLY 9 -2.626 -12.109 7.585
38 HA2 GLY 9 1HA GLY 9 -2.713 -9.967 6.765
39 HA3 GLY 9 2HA GLY 9 -1.743 -10.580 5.434
40 H GLU 10 H GLU 10 -5.117 -10.594 6.583
41 HA GLU 10 HA GLU 10 -6.030 -10.667 3.808
42 HB2 GLU 10 1HB GLU 10 -7.012 -12.195 5.548
43 HB3 GLU 10 2HB GLU 10 -7.696 -10.773 6.324
44 HG2 GLU 10 1HG GLU 10 -8.279 -11.645 3.504
45 HG3 GLU 10 2HG GLU 10 -9.305 -11.969 4.900
46 H LYS 11 H LYS 11 -5.485 -8.545 3.196
47 HA LYS 11 HA LYS 11 -7.275 -6.494 4.316
48 HB2 LYS 11 1HB LYS 11 -4.340 -6.359 3.767
49 HB3 LYS 11 2HB LYS 11 -5.310 -4.909 3.543
50 HG2 LYS 11 1HG LYS 11 -5.840 -4.759 5.792
51 HG3 LYS 11 2HG LYS 11 -5.475 -6.459 6.094
52 HD2 LYS 11 1HD LYS 11 -3.351 -4.506 5.256
53 HD3 LYS 11 2HD LYS 11 -3.806 -4.717 6.948
54 HE2 LYS 11 1HE LYS 11 -3.002 -7.015 5.183
55 HE3 LYS 11 2HE LYS 11 -1.834 -6.082 6.118
56 HZ1 LYS 11 3HZ LYS 11 -4.070 -7.732 7.146
57 HZ2 LYS 11 1HZ LYS 11 -3.218 -6.637 8.114
58 HZ3 LYS 11 2HZ LYS 11 -2.413 -7.949 7.412
59 HA PRO 12 HA PRO 12 -8.631 -5.924 0.168
60 HB2 PRO 12 1HB PRO 12 -9.613 -3.401 0.374
61 HB3 PRO 12 2HB PRO 12 -10.428 -4.809 1.066
62 HG2 PRO 12 1HG PRO 12 -8.671 -2.789 2.406
63 HG3 PRO 12 2HG PRO 12 -10.195 -3.498 2.972
64 HD2 PRO 12 1HD PRO 12 -7.778 -4.346 3.852
65 HD3 PRO 12 2HD PRO 12 -9.172 -5.434 3.694
66 H TYR 13 H TYR 13 -6.601 -3.445 1.658
67 HA TYR 13 HA TYR 13 -5.761 -2.489 -0.973
68 HB2 TYR 13 1HB TYR 13 -4.934 -1.447 1.740
69 HB3 TYR 13 2HB TYR 13 -4.727 -0.649 0.186
70 HD1 TYR 13 HD2 TYR 13 -6.676 0.313 -0.983
71 HD2 TYR 13 HD1 TYR 13 -7.026 -1.371 2.909
72 HE1 TYR 13 HE2 TYR 13 -8.841 1.444 -0.695
73 HE2 TYR 13 HE1 TYR 13 -9.193 -0.246 3.207
74 HH TYR 13 HH TYR 13 -10.225 2.248 1.460
75 H ASN 14 H ASN 14 -3.807 -2.878 -1.842
76 HA ASN 14 HA ASN 14 -1.662 -3.962 -0.197
77 HB2 ASN 14 1HB ASN 14 -2.698 -5.423 -2.637
78 HB3 ASN 14 2HB ASN 14 -1.298 -5.883 -1.673
79 HD21 ASN 14 1HD2 ASN 14 -1.581 -6.993 0.189
80 HD22 ASN 14 2HD2 ASN 14 -3.118 -7.531 0.768
81 H CYS 15 H CYS 15 0.154 -2.949 -0.713
82 HA CYS 15 HA CYS 15 0.316 -1.335 -3.089
83 HB2 CYS 15 1HB CYS 15 1.252 -0.679 -0.839
84 HB3 CYS 15 2HB CYS 15 2.506 -1.890 -1.084
85 H LYS 16 H LYS 16 0.965 -2.042 -5.000
86 HA LYS 16 HA LYS 16 2.263 -4.600 -5.280
87 HB2 LYS 16 1HB LYS 16 1.117 -2.566 -7.140
88 HB3 LYS 16 2HB LYS 16 2.273 -3.726 -7.782
89 HG2 LYS 16 1HG LYS 16 -0.015 -4.731 -6.167
90 HG3 LYS 16 2HG LYS 16 -0.301 -4.208 -7.828
91 HD2 LYS 16 1HD LYS 16 1.962 -6.066 -7.240
92 HD3 LYS 16 2HD LYS 16 0.316 -6.698 -7.313
93 HE2 LYS 16 1HE LYS 16 0.908 -6.944 -9.501
94 HE3 LYS 16 2HE LYS 16 0.270 -5.302 -9.560
95 HZ1 LYS 16 3HZ LYS 16 2.257 -4.503 -10.098
96 HZ2 LYS 16 1HZ LYS 16 2.756 -6.098 -10.360
97 HZ3 LYS 16 2HZ LYS 16 3.040 -5.357 -8.866
98 H GLU 17 H GLU 17 3.153 -1.217 -5.514
99 HA GLU 17 HA GLU 17 5.519 -1.264 -6.868
100 HB2 GLU 17 1HB GLU 17 4.650 0.296 -4.455
101 HB3 GLU 17 2HB GLU 17 6.264 0.509 -5.118
102 HG2 GLU 17 1HG GLU 17 4.788 2.198 -5.987
103 HG3 GLU 17 2HG GLU 17 5.281 1.110 -7.283
104 H CYS 18 H CYS 18 5.391 -1.509 -3.310
105 HA CYS 18 HA CYS 18 7.973 -2.870 -3.347
106 HB2 CYS 18 1HB CYS 18 7.897 -2.550 -0.879
107 HB3 CYS 18 2HB CYS 18 7.777 -1.041 -1.778
108 H GLY 19 H GLY 19 4.640 -3.379 -2.270
109 HA2 GLY 19 1HA GLY 19 3.722 -5.629 -2.592
110 HA3 GLY 19 2HA GLY 19 5.268 -6.257 -2.041
111 H LYS 20 H LYS 20 3.568 -3.558 -0.568
112 HA LYS 20 HA LYS 20 3.378 -5.124 1.907
113 HB2 LYS 20 1HB LYS 20 3.612 -2.208 1.297
114 HB3 LYS 20 2HB LYS 20 2.831 -2.697 2.795
115 HG2 LYS 20 1HG LYS 20 4.831 -3.916 3.456
116 HG3 LYS 20 2HG LYS 20 5.616 -3.466 1.941
117 HD2 LYS 20 1HD LYS 20 4.968 -1.029 2.768
118 HD3 LYS 20 2HD LYS 20 5.025 -1.820 4.345
119 HE2 LYS 20 1HE LYS 20 7.282 -2.318 4.155
120 HE3 LYS 20 2HE LYS 20 7.265 -2.189 2.397
121 HZ1 LYS 20 3HZ LYS 20 7.866 -0.078 2.551
122 HZ2 LYS 20 1HZ LYS 20 7.993 -0.238 4.230
123 HZ3 LYS 20 2HZ LYS 20 6.542 0.286 3.539
124 H SER 21 H SER 21 1.461 -4.098 3.336
125 HA SER 21 HA SER 21 -0.962 -3.995 1.677
126 HB2 SER 21 1HB SER 21 -0.432 -6.307 2.750
127 HB3 SER 21 2HB SER 21 -0.942 -5.542 4.255
128 HG SER 21 HG SER 21 -2.520 -6.668 2.625
129 H PHE 22 H PHE 22 -2.893 -3.280 2.977
130 HA PHE 22 HA PHE 22 -2.354 -1.750 5.364
131 HB2 PHE 22 1HB PHE 22 -3.099 -0.367 2.780
132 HB3 PHE 22 2HB PHE 22 -3.177 0.391 4.367
133 HD1 PHE 22 HD2 PHE 22 -0.878 -1.132 1.904
134 HD2 PHE 22 HD1 PHE 22 -1.265 1.313 5.367
135 HE1 PHE 22 HE2 PHE 22 1.485 -0.476 1.702
136 HE2 PHE 22 HE1 PHE 22 1.097 1.973 5.170
137 HZ PHE 22 HZ PHE 22 2.475 1.077 3.336
138 H ARG 23 H ARG 23 -4.187 -1.315 6.542
139 HA ARG 23 HA ARG 23 -6.507 -2.848 5.902
140 HB2 ARG 23 1HB ARG 23 -5.889 -0.897 8.118
141 HB3 ARG 23 2HB ARG 23 -7.430 -1.733 7.988
142 HG2 ARG 23 1HG ARG 23 -6.112 -3.890 8.007
143 HG3 ARG 23 2HG ARG 23 -4.715 -2.917 8.471
144 HD2 ARG 23 1HD ARG 23 -5.557 -3.620 10.515
145 HD3 ARG 23 2HD ARG 23 -6.257 -2.011 10.334
146 HE ARG 23 HE ARG 23 -8.344 -2.964 10.138
147 HH11 ARG 23 1HH1 ARG 23 -5.893 -5.431 9.969
148 HH12 ARG 23 2HH1 ARG 23 -7.019 -6.741 10.103
149 HH21 ARG 23 1HH2 ARG 23 -9.836 -4.681 10.314
150 HH22 ARG 23 2HH2 ARG 23 -9.261 -6.314 10.298
151 H TRP 24 H TRP 24 -5.958 0.653 6.290
152 HA TRP 24 HA TRP 24 -8.466 1.144 4.845
153 HB2 TRP 24 1HB TRP 24 -6.865 2.731 6.813
154 HB3 TRP 24 2HB TRP 24 -7.905 3.579 5.672
155 HD1 TRP 24 HD1 TRP 24 -8.036 2.422 9.053
156 HE1 TRP 24 HE1 TRP 24 -10.444 1.965 9.840
157 HE3 TRP 24 HE3 TRP 24 -10.367 2.295 4.505
158 HZ2 TRP 24 HZ2 TRP 24 -12.993 1.597 8.686
159 HZ3 TRP 24 HZ3 TRP 24 -12.792 1.884 4.433
160 HH2 TRP 24 HH2 TRP 24 -14.076 1.542 6.481
161 H ALA 25 H ALA 25 -8.313 3.356 3.584
162 HA ALA 25 HA ALA 25 -6.375 2.919 1.503
163 HB1 ALA 25 3HB ALA 25 -8.747 3.612 1.097
164 HB2 ALA 25 1HB ALA 25 -8.326 5.201 1.737
165 HB3 ALA 25 2HB ALA 25 -7.537 4.600 0.278
166 H SER 26 H SER 26 -7.173 5.742 3.540
167 HA SER 26 HA SER 26 -5.127 7.416 2.839
168 HB2 SER 26 1HB SER 26 -5.279 8.302 5.212
169 HB3 SER 26 2HB SER 26 -6.807 8.215 4.336
170 HG SER 26 HG SER 26 -6.742 5.947 5.446
171 H CYS 27 H CYS 27 -4.984 4.611 4.932
172 HA CYS 27 HA CYS 27 -2.448 5.078 6.063
173 HB2 CYS 27 1HB CYS 27 -3.970 2.521 5.546
174 HB3 CYS 27 2HB CYS 27 -2.447 2.576 6.426
175 HG CYS 27 HG CYS 27 -5.129 2.515 7.872
176 H LEU 28 H LEU 28 -3.453 3.430 3.103
177 HA LEU 28 HA LEU 28 -0.791 2.606 2.419
178 HB2 LEU 28 1HB LEU 28 -2.434 1.217 1.551
179 HB3 LEU 28 2HB LEU 28 -3.446 2.569 1.045
180 HG LEU 28 HG LEU 28 -1.858 3.047 -0.776
181 HD11 LEU 28 1HD1 LEU 28 -0.432 0.646 -0.962
182 HD12 LEU 28 2HD1 LEU 28 -0.223 1.204 0.697
183 HD13 LEU 28 3HD1 LEU 28 0.210 2.258 -0.648
184 HD21 LEU 28 3HD2 LEU 28 -2.301 0.885 -2.056
185 HD22 LEU 28 1HD2 LEU 28 -3.701 1.749 -1.421
186 HD23 LEU 28 2HD2 LEU 28 -3.096 0.317 -0.587
187 H LEU 29 H LEU 29 -2.945 5.244 1.501
188 HA LEU 29 HA LEU 29 -1.534 6.306 -0.635
189 HB2 LEU 29 1HB LEU 29 -3.796 6.984 0.522
190 HB3 LEU 29 2HB LEU 29 -2.766 8.140 1.365
191 HG LEU 29 HG LEU 29 -3.052 7.957 -1.633
192 HD11 LEU 29 1HD1 LEU 29 -4.936 8.886 0.141
193 HD12 LEU 29 2HD1 LEU 29 -4.795 9.344 -1.556
194 HD13 LEU 29 3HD1 LEU 29 -4.053 10.345 -0.308
195 HD21 LEU 29 3HD2 LEU 29 -1.588 9.832 0.206
196 HD22 LEU 29 1HD2 LEU 29 -2.006 10.261 -1.453
197 HD23 LEU 29 2HD2 LEU 29 -0.944 8.888 -1.139
198 H LYS 30 H LYS 30 -1.308 7.332 2.775
199 HA LYS 30 HA LYS 30 0.764 9.132 2.538
200 HB2 LYS 30 1HB LYS 30 -0.022 7.283 4.779
201 HB3 LYS 30 2HB LYS 30 1.326 8.401 4.943
202 HG2 LYS 30 1HG LYS 30 -1.442 9.285 4.182
203 HG3 LYS 30 2HG LYS 30 -0.885 9.185 5.854
204 HD2 LYS 30 1HD LYS 30 0.586 10.755 3.751
205 HD3 LYS 30 2HD LYS 30 -0.710 11.456 4.724
206 HE2 LYS 30 1HE LYS 30 0.506 11.082 6.743
207 HE3 LYS 30 2HE LYS 30 1.719 10.119 5.901
208 HZ1 LYS 30 3HZ LYS 30 2.689 12.207 6.198
209 HZ2 LYS 30 1HZ LYS 30 1.283 13.040 5.760
210 HZ3 LYS 30 2HZ LYS 30 2.180 12.218 4.585
211 H HIS 31 H HIS 31 0.929 5.619 2.843
212 HA HIS 31 HA HIS 31 3.708 5.389 3.170
213 HB2 HIS 31 1HB HIS 31 2.533 3.434 3.641
214 HB3 HIS 31 2HB HIS 31 1.562 3.544 2.176
215 HD1 HIS 31 HD1 HIS 31 5.247 3.032 3.012
216 HD2 HIS 31 HD2 HIS 31 2.353 1.765 0.313
217 HE1 HIS 31 HE1 HIS 31 6.386 1.327 1.556
218 H GLN 32 H GLN 32 1.711 5.248 0.229
219 HA GLN 32 HA GLN 32 3.492 4.675 -1.708
220 HB2 GLN 32 1HB GLN 32 1.391 6.842 -1.745
221 HB3 GLN 32 2HB GLN 32 2.255 6.306 -3.180
222 HG2 GLN 32 1HG GLN 32 1.387 4.026 -2.806
223 HG3 GLN 32 2HG GLN 32 0.452 4.638 -1.443
224 HE21 GLN 32 1HE2 GLN 32 -1.557 4.289 -2.229
225 HE22 GLN 32 2HE2 GLN 32 -2.198 5.069 -3.631
226 H ARG 33 H ARG 33 3.423 7.588 0.200
227 HA ARG 33 HA ARG 33 4.821 9.430 -1.188
228 HB2 ARG 33 1HB ARG 33 5.274 8.617 1.687
229 HB3 ARG 33 2HB ARG 33 5.903 10.094 0.969
230 HG2 ARG 33 1HG ARG 33 2.988 9.579 0.762
231 HG3 ARG 33 2HG ARG 33 3.645 10.054 2.330
232 HD2 ARG 33 1HD ARG 33 3.045 12.074 1.315
233 HD3 ARG 33 2HD ARG 33 4.787 11.961 1.071
234 HE ARG 33 HE ARG 33 4.428 11.840 -1.185
235 HH11 ARG 33 1HH1 ARG 33 1.437 11.207 0.481
236 HH12 ARG 33 2HH1 ARG 33 0.479 11.217 -0.963
237 HH21 ARG 33 1HH2 ARG 33 3.177 11.856 -3.093
238 HH22 ARG 33 2HH2 ARG 33 1.470 11.585 -2.995
239 H VAL 34 H VAL 34 6.312 6.731 0.594
240 HA VAL 34 HA VAL 34 8.966 7.210 0.109
241 HB VAL 34 HB VAL 34 9.346 4.789 0.249
242 HG11 VAL 34 1HG1 VAL 34 7.280 4.930 2.272
243 HG12 VAL 34 2HG1 VAL 34 9.035 4.900 2.452
244 HG13 VAL 34 3HG1 VAL 34 8.203 6.430 2.174
245 HG21 VAL 34 3HG2 VAL 34 6.498 4.723 -0.507
246 HG22 VAL 34 1HG2 VAL 34 7.791 3.570 -0.841
247 HG23 VAL 34 2HG2 VAL 34 6.989 3.565 0.730
248 H HIS 35 H HIS 35 6.594 5.787 -2.078
249 HA HIS 35 HA HIS 35 8.556 5.240 -4.122
250 HB2 HIS 35 1HB HIS 35 5.533 5.169 -4.243
251 HB3 HIS 35 2HB HIS 35 6.623 4.551 -5.481
252 HD1 HIS 35 HD1 HIS 35 8.315 2.585 -4.502
253 HD2 HIS 35 HD2 HIS 35 4.760 3.282 -2.470
254 HE1 HIS 35 HE1 HIS 35 7.913 0.520 -3.124
255 H SER 36 H SER 36 6.203 7.734 -3.392
256 HA SER 36 HA SER 36 6.406 9.045 -5.927
257 HB2 SER 36 1HB SER 36 4.526 9.169 -4.079
258 HB3 SER 36 2HB SER 36 5.518 10.490 -3.460
259 HG SER 36 HG SER 36 3.754 10.745 -5.269
260 H GLY 37 H GLY 37 8.151 10.090 -6.603
261 HA2 GLY 37 1HA GLY 37 9.367 12.156 -5.068
262 HA3 GLY 37 2HA GLY 37 10.389 10.727 -5.104
263 H GLU 38 H GLU 38 11.787 12.465 -6.150
264 HA GLU 38 HA GLU 38 11.441 13.659 -8.550
265 HB2 GLU 38 1HB GLU 38 13.526 13.693 -7.158
266 HB3 GLU 38 2HB GLU 38 13.942 12.124 -7.832
267 HG2 GLU 38 1HG GLU 38 13.433 14.512 -9.571
268 HG3 GLU 38 2HG GLU 38 15.018 14.177 -8.875
269 H LYS 39 H LYS 39 10.639 12.956 -10.404
270 HA LYS 39 HA LYS 39 11.756 10.737 -11.794
271 HB2 LYS 39 1HB LYS 39 10.007 9.833 -10.017
272 HB3 LYS 39 2HB LYS 39 8.852 10.316 -11.253
273 HG2 LYS 39 1HG LYS 39 9.740 8.804 -12.822
274 HG3 LYS 39 2HG LYS 39 11.188 8.529 -11.851
275 HD2 LYS 39 1HD LYS 39 10.084 7.168 -10.350
276 HD3 LYS 39 2HD LYS 39 8.508 7.879 -10.704
277 HE2 LYS 39 1HE LYS 39 10.011 6.292 -12.761
278 HE3 LYS 39 2HE LYS 39 8.994 5.502 -11.556
279 HZ1 LYS 39 3HZ LYS 39 8.240 7.026 -13.887
280 HZ2 LYS 39 1HZ LYS 39 7.369 7.425 -12.493
281 HZ3 LYS 39 2HZ LYS 39 7.384 5.829 -13.052
282 HA PRO 40 HA PRO 40 10.261 13.230 -15.106
283 HB2 PRO 40 1HB PRO 40 10.569 11.447 -17.129
284 HB3 PRO 40 2HB PRO 40 11.929 12.280 -16.368
285 HG2 PRO 40 1HG PRO 40 10.896 9.512 -15.888
286 HG3 PRO 40 2HG PRO 40 12.572 10.070 -16.038
287 HD2 PRO 40 1HD PRO 40 11.409 9.578 -13.643
288 HD3 PRO 40 2HD PRO 40 12.645 10.833 -13.865
289 H SER 41 H SER 41 8.952 10.020 -14.528
290 HA SER 41 HA SER 41 6.466 10.826 -15.889
291 HB2 SER 41 1HB SER 41 7.238 8.903 -17.007
292 HB3 SER 41 2HB SER 41 7.751 8.129 -15.508
293 HG SER 41 HG SER 41 5.422 7.901 -16.755
294 H GLY 42 H GLY 42 4.533 10.679 -14.823
295 HA2 GLY 42 1HA GLY 42 4.721 10.387 -11.920
296 HA3 GLY 42 2HA GLY 42 3.382 11.100 -12.808
297 HA PRO 43 HA PRO 43 1.092 7.393 -12.345
298 HB2 PRO 43 1HB PRO 43 -0.397 7.401 -14.615
299 HB3 PRO 43 2HB PRO 43 -0.686 8.513 -13.272
300 HG2 PRO 43 1HG PRO 43 0.780 8.984 -15.840
301 HG3 PRO 43 2HG PRO 43 -0.374 10.037 -15.001
302 HD2 PRO 43 1HD PRO 43 2.304 10.401 -14.851
303 HD3 PRO 43 2HD PRO 43 1.210 10.798 -13.511
304 H SER 44 H SER 44 1.936 5.418 -12.505
305 HA SER 44 HA SER 44 3.385 4.625 -14.899
306 HB2 SER 44 1HB SER 44 4.129 2.713 -13.601
307 HB3 SER 44 2HB SER 44 4.318 4.174 -12.632
308 HG SER 44 HG SER 44 2.052 3.510 -11.893
309 H SER 45 H SER 45 0.481 3.753 -13.108
310 HA SER 45 HA SER 45 -0.257 1.932 -15.305
311 HB2 SER 45 1HB SER 45 -1.143 1.846 -12.411
312 HB3 SER 45 2HB SER 45 -1.681 0.743 -13.678
313 HG SER 45 HG SER 45 0.252 0.237 -12.181
314 H GLY 46 H GLY 46 -1.722 2.799 -16.609
315 HA2 GLY 46 1HA GLY 46 -3.698 4.662 -15.448
316 HA3 GLY 46 2HA GLY 46 -3.125 4.733 -17.108
Start of MODEL 16
1 H1 GLY 1 1H GLY 1 1.334 -25.738 -9.705
2 HA2 GLY 1 1HA GLY 1 1.180 -22.952 -9.551
3 HA3 GLY 1 2HA GLY 1 -0.195 -23.603 -8.671
4 H SER 2 H SER 2 2.542 -22.245 -8.028
5 HA SER 2 HA SER 2 3.526 -24.207 -6.085
6 HB2 SER 2 1HB SER 2 4.733 -21.573 -6.967
7 HB3 SER 2 2HB SER 2 5.481 -22.729 -5.864
8 HG SER 2 HG SER 2 6.247 -23.623 -7.595
9 H SER 3 H SER 3 3.007 -24.052 -4.011
10 HA SER 3 HA SER 3 1.484 -21.775 -3.076
11 HB2 SER 3 1HB SER 3 1.104 -23.093 -1.067
12 HB3 SER 3 2HB SER 3 0.836 -24.104 -2.487
13 HG SER 3 HG SER 3 2.110 -25.140 -0.870
14 H GLY 4 H GLY 4 1.989 -20.801 -0.930
15 HA2 GLY 4 1HA GLY 4 4.854 -20.753 -0.300
16 HA3 GLY 4 2HA GLY 4 4.073 -19.239 -0.732
17 H SER 5 H SER 5 4.703 -18.469 1.368
18 HA SER 5 HA SER 5 3.279 -19.658 3.633
19 HB2 SER 5 1HB SER 5 4.710 -18.307 5.047
20 HB3 SER 5 2HB SER 5 5.710 -19.134 3.853
21 HG SER 5 HG SER 5 5.596 -16.555 4.325
22 H SER 6 H SER 6 2.306 -18.099 5.219
23 HA SER 6 HA SER 6 1.331 -15.601 4.126
24 HB2 SER 6 1HB SER 6 -0.230 -17.382 3.252
25 HB3 SER 6 2HB SER 6 -0.672 -17.722 4.925
26 HG SER 6 HG SER 6 -1.130 -15.387 3.411
27 H GLY 7 H GLY 7 0.366 -14.238 5.697
28 HA2 GLY 7 1HA GLY 7 1.288 -14.816 8.392
29 HA3 GLY 7 2HA GLY 7 0.649 -13.285 7.812
30 H THR 8 H THR 8 -1.501 -12.832 8.035
31 HA THR 8 HA THR 8 -3.380 -14.882 8.816
32 HB THR 8 HB THR 8 -2.440 -14.465 10.988
33 HG1 THR 8 HG1 THR 8 -4.829 -14.473 10.673
34 HG21 THR 8 3HG2 THR 8 -2.669 -12.076 11.923
35 HG22 THR 8 1HG2 THR 8 -2.758 -11.576 10.235
36 HG23 THR 8 2HG2 THR 8 -1.326 -12.414 10.832
37 H GLY 9 H GLY 9 -5.516 -14.269 8.536
38 HA2 GLY 9 1HA GLY 9 -7.275 -13.044 7.714
39 HA3 GLY 9 2HA GLY 9 -6.428 -11.617 8.292
40 H GLU 10 H GLU 10 -7.166 -10.468 6.445
41 HA GLU 10 HA GLU 10 -5.329 -10.556 4.261
42 HB2 GLU 10 1HB GLU 10 -6.703 -12.331 3.439
43 HB3 GLU 10 2HB GLU 10 -8.176 -11.446 3.809
44 HG2 GLU 10 1HG GLU 10 -7.549 -9.770 2.104
45 HG3 GLU 10 2HG GLU 10 -6.154 -10.765 1.688
46 H LYS 11 H LYS 11 -4.993 -8.510 3.732
47 HA LYS 11 HA LYS 11 -6.974 -6.498 4.456
48 HB2 LYS 11 1HB LYS 11 -4.068 -6.411 3.702
49 HB3 LYS 11 2HB LYS 11 -5.042 -4.947 3.663
50 HG2 LYS 11 1HG LYS 11 -5.407 -4.987 5.970
51 HG3 LYS 11 2HG LYS 11 -4.915 -6.677 6.107
52 HD2 LYS 11 1HD LYS 11 -2.626 -5.787 5.226
53 HD3 LYS 11 2HD LYS 11 -3.231 -4.227 5.787
54 HE2 LYS 11 1HE LYS 11 -3.315 -6.622 7.579
55 HE3 LYS 11 2HE LYS 11 -1.822 -5.704 7.390
56 HZ1 LYS 11 3HZ LYS 11 -4.251 -5.006 8.789
57 HZ2 LYS 11 1HZ LYS 11 -3.615 -3.760 7.837
58 HZ3 LYS 11 2HZ LYS 11 -2.665 -4.474 9.040
59 HA PRO 12 HA PRO 12 -8.474 -5.953 0.353
60 HB2 PRO 12 1HB PRO 12 -9.377 -3.401 0.558
61 HB3 PRO 12 2HB PRO 12 -10.204 -4.775 1.302
62 HG2 PRO 12 1HG PRO 12 -8.342 -2.786 2.543
63 HG3 PRO 12 2HG PRO 12 -9.862 -3.444 3.178
64 HD2 PRO 12 1HD PRO 12 -7.437 -4.346 3.978
65 HD3 PRO 12 2HD PRO 12 -8.865 -5.397 3.890
66 H TYR 13 H TYR 13 -6.647 -3.171 1.640
67 HA TYR 13 HA TYR 13 -5.762 -2.434 -1.017
68 HB2 TYR 13 1HB TYR 13 -4.851 -1.251 1.607
69 HB3 TYR 13 2HB TYR 13 -4.777 -0.514 0.010
70 HD1 TYR 13 HD2 TYR 13 -6.770 0.437 -1.016
71 HD2 TYR 13 HD1 TYR 13 -6.927 -1.312 2.859
72 HE1 TYR 13 HE2 TYR 13 -8.954 1.501 -0.631
73 HE2 TYR 13 HE1 TYR 13 -9.112 -0.254 3.255
74 HH TYR 13 HH TYR 13 -10.582 1.886 0.834
75 H ASN 14 H ASN 14 -3.784 -2.764 -1.886
76 HA ASN 14 HA ASN 14 -1.620 -3.799 -0.235
77 HB2 ASN 14 1HB ASN 14 -1.228 -5.729 -1.686
78 HB3 ASN 14 2HB ASN 14 -2.836 -5.810 -0.971
79 HD21 ASN 14 1HD2 ASN 14 -1.050 -5.907 -3.810
80 HD22 ASN 14 2HD2 ASN 14 -2.357 -5.831 -4.937
81 H CYS 15 H CYS 15 0.166 -2.739 -0.756
82 HA CYS 15 HA CYS 15 0.317 -1.059 -3.047
83 HB2 CYS 15 1HB CYS 15 1.443 -0.595 -0.860
84 HB3 CYS 15 2HB CYS 15 2.568 -1.903 -1.213
85 H LYS 16 H LYS 16 1.361 -1.319 -4.959
86 HA LYS 16 HA LYS 16 2.223 -4.034 -5.609
87 HB2 LYS 16 1HB LYS 16 0.560 -2.911 -7.061
88 HB3 LYS 16 2HB LYS 16 1.746 -1.667 -7.431
89 HG2 LYS 16 1HG LYS 16 3.180 -3.318 -8.488
90 HG3 LYS 16 2HG LYS 16 2.034 -4.596 -8.074
91 HD2 LYS 16 1HD LYS 16 1.149 -2.221 -9.670
92 HD3 LYS 16 2HD LYS 16 1.984 -3.564 -10.455
93 HE2 LYS 16 1HE LYS 16 -0.226 -4.181 -10.691
94 HE3 LYS 16 2HE LYS 16 0.226 -5.027 -9.211
95 HZ1 LYS 16 3HZ LYS 16 -0.804 -2.346 -8.837
96 HZ2 LYS 16 1HZ LYS 16 -1.133 -3.764 -7.975
97 HZ3 LYS 16 2HZ LYS 16 -1.924 -3.462 -9.440
98 H GLU 17 H GLU 17 3.461 -0.805 -5.245
99 HA GLU 17 HA GLU 17 5.831 -0.940 -6.676
100 HB2 GLU 17 1HB GLU 17 5.048 0.508 -4.166
101 HB3 GLU 17 2HB GLU 17 6.692 0.614 -4.778
102 HG2 GLU 17 1HG GLU 17 5.480 2.498 -5.575
103 HG3 GLU 17 2HG GLU 17 5.772 1.421 -6.939
104 H CYS 18 H CYS 18 5.596 -1.432 -3.149
105 HA CYS 18 HA CYS 18 8.030 -3.043 -3.252
106 HB2 CYS 18 1HB CYS 18 7.919 -2.892 -0.758
107 HB3 CYS 18 2HB CYS 18 8.019 -1.328 -1.561
108 H GLY 19 H GLY 19 4.656 -3.269 -2.186
109 HA2 GLY 19 1HA GLY 19 3.484 -5.364 -2.658
110 HA3 GLY 19 2HA GLY 19 4.961 -6.207 -2.213
111 H LYS 20 H LYS 20 3.303 -3.537 -0.569
112 HA LYS 20 HA LYS 20 3.201 -5.207 1.845
113 HB2 LYS 20 1HB LYS 20 3.327 -2.247 1.384
114 HB3 LYS 20 2HB LYS 20 2.687 -2.872 2.898
115 HG2 LYS 20 1HG LYS 20 4.835 -4.163 3.141
116 HG3 LYS 20 2HG LYS 20 5.450 -3.231 1.774
117 HD2 LYS 20 1HD LYS 20 5.168 -1.172 2.980
118 HD3 LYS 20 2HD LYS 20 4.355 -2.009 4.304
119 HE2 LYS 20 1HE LYS 20 7.215 -2.455 3.453
120 HE3 LYS 20 2HE LYS 20 6.705 -1.465 4.819
121 HZ1 LYS 20 3HZ LYS 20 7.099 -4.254 4.714
122 HZ2 LYS 20 1HZ LYS 20 5.485 -3.941 5.113
123 HZ3 LYS 20 2HZ LYS 20 6.731 -3.287 6.052
124 H SER 21 H SER 21 1.300 -4.251 3.352
125 HA SER 21 HA SER 21 -1.151 -3.979 1.778
126 HB2 SER 21 1HB SER 21 -2.249 -5.708 3.261
127 HB3 SER 21 2HB SER 21 -1.067 -6.348 2.119
128 HG SER 21 HG SER 21 0.230 -6.859 3.724
129 H PHE 22 H PHE 22 -2.933 -3.118 2.949
130 HA PHE 22 HA PHE 22 -2.416 -2.156 5.654
131 HB2 PHE 22 1HB PHE 22 -3.167 -0.308 3.378
132 HB3 PHE 22 2HB PHE 22 -3.049 0.149 5.074
133 HD1 PHE 22 HD1 PHE 22 -0.860 0.238 6.185
134 HD2 PHE 22 HD2 PHE 22 -1.229 -0.543 2.017
135 HE1 PHE 22 HE1 PHE 22 1.525 0.762 5.879
136 HE2 PHE 22 HE2 PHE 22 1.155 -0.022 1.705
137 HZ PHE 22 HZ PHE 22 2.535 0.631 3.637
138 H ARG 23 H ARG 23 -4.354 -1.288 6.697
139 HA ARG 23 HA ARG 23 -6.689 -2.815 5.911
140 HB2 ARG 23 1HB ARG 23 -6.403 -0.975 8.287
141 HB3 ARG 23 2HB ARG 23 -7.584 -2.259 8.063
142 HG2 ARG 23 1HG ARG 23 -5.511 -3.808 7.948
143 HG3 ARG 23 2HG ARG 23 -4.679 -2.458 8.723
144 HD2 ARG 23 1HD ARG 23 -7.274 -3.359 9.862
145 HD3 ARG 23 2HD ARG 23 -5.851 -4.366 10.131
146 HE ARG 23 HE ARG 23 -5.003 -2.753 11.536
147 HH11 ARG 23 1HH1 ARG 23 -7.749 -1.489 9.810
148 HH12 ARG 23 2HH1 ARG 23 -7.861 -0.054 10.775
149 HH21 ARG 23 1HH2 ARG 23 -5.139 -0.869 12.814
150 HH22 ARG 23 2HH2 ARG 23 -6.375 0.297 12.483
151 H TRP 24 H TRP 24 -5.872 0.592 6.508
152 HA TRP 24 HA TRP 24 -8.405 1.395 5.278
153 HB2 TRP 24 1HB TRP 24 -6.419 2.756 7.057
154 HB3 TRP 24 2HB TRP 24 -7.470 3.734 6.037
155 HD1 TRP 24 HD1 TRP 24 -7.364 2.524 9.411
156 HE1 TRP 24 HE1 TRP 24 -9.709 2.363 10.461
157 HE3 TRP 24 HE3 TRP 24 -10.182 2.820 5.155
158 HZ2 TRP 24 HZ2 TRP 24 -12.397 2.360 9.599
159 HZ3 TRP 24 HZ3 TRP 24 -12.633 2.730 5.355
160 HH2 TRP 24 HH2 TRP 24 -13.715 2.504 7.532
161 H ALA 25 H ALA 25 -8.419 3.097 3.668
162 HA ALA 25 HA ALA 25 -6.564 2.617 1.578
163 HB1 ALA 25 3HB ALA 25 -7.970 5.063 1.150
164 HB2 ALA 25 1HB ALA 25 -8.197 3.499 0.367
165 HB3 ALA 25 2HB ALA 25 -9.071 3.878 1.852
166 H SER 26 H SER 26 -7.232 5.630 3.376
167 HA SER 26 HA SER 26 -5.247 7.228 2.445
168 HB2 SER 26 1HB SER 26 -6.269 6.966 5.277
169 HB3 SER 26 2HB SER 26 -5.193 8.263 4.757
170 HG SER 26 HG SER 26 -6.901 9.237 4.051
171 H CYS 27 H CYS 27 -4.882 5.119 5.300
172 HA CYS 27 HA CYS 27 -2.299 5.486 5.964
173 HB2 CYS 27 1HB CYS 27 -3.697 2.815 5.717
174 HB3 CYS 27 2HB CYS 27 -2.202 3.081 6.606
175 HG CYS 27 HG CYS 27 -4.495 2.836 8.313
176 H LEU 28 H LEU 28 -3.412 3.423 3.298
177 HA LEU 28 HA LEU 28 -0.827 2.590 2.494
178 HB2 LEU 28 1HB LEU 28 -2.512 1.215 1.726
179 HB3 LEU 28 2HB LEU 28 -3.544 2.567 1.262
180 HG LEU 28 HG LEU 28 -2.064 2.994 -0.668
181 HD11 LEU 28 1HD1 LEU 28 -0.424 1.029 0.701
182 HD12 LEU 28 2HD1 LEU 28 0.010 2.194 -0.550
183 HD13 LEU 28 3HD1 LEU 28 -0.679 0.634 -0.999
184 HD21 LEU 28 3HD2 LEU 28 -4.089 1.488 -0.743
185 HD22 LEU 28 1HD2 LEU 28 -2.973 0.126 -0.644
186 HD23 LEU 28 2HD2 LEU 28 -2.893 1.234 -2.015
187 H LEU 29 H LEU 29 -3.016 5.102 1.247
188 HA LEU 29 HA LEU 29 -1.502 6.033 -0.860
189 HB2 LEU 29 1HB LEU 29 -3.626 6.943 -0.684
190 HB3 LEU 29 2HB LEU 29 -3.417 7.351 1.018
191 HG LEU 29 HG LEU 29 -1.775 9.122 0.252
192 HD11 LEU 29 1HD1 LEU 29 -1.522 8.071 -2.036
193 HD12 LEU 29 2HD1 LEU 29 -1.757 9.818 -1.999
194 HD13 LEU 29 3HD1 LEU 29 -3.101 8.757 -2.420
195 HD21 LEU 29 3HD2 LEU 29 -4.345 9.867 -0.963
196 HD22 LEU 29 1HD2 LEU 29 -3.442 10.626 0.348
197 HD23 LEU 29 2HD2 LEU 29 -4.447 9.214 0.673
198 H LYS 30 H LYS 30 -1.312 6.983 2.553
199 HA LYS 30 HA LYS 30 0.639 8.969 2.288
200 HB2 LYS 30 1HB LYS 30 -0.310 7.230 4.517
201 HB3 LYS 30 2HB LYS 30 1.190 8.120 4.744
202 HG2 LYS 30 1HG LYS 30 -1.398 9.413 3.922
203 HG3 LYS 30 2HG LYS 30 -0.867 9.256 5.598
204 HD2 LYS 30 1HD LYS 30 1.326 10.368 4.659
205 HD3 LYS 30 2HD LYS 30 0.231 10.947 3.402
206 HE2 LYS 30 1HE LYS 30 0.272 12.633 5.054
207 HE3 LYS 30 2HE LYS 30 -1.257 11.783 5.269
208 HZ1 LYS 30 3HZ LYS 30 0.838 10.628 6.826
209 HZ2 LYS 30 1HZ LYS 30 -0.684 11.182 7.314
210 HZ3 LYS 30 2HZ LYS 30 0.612 12.262 7.202
211 H HIS 31 H HIS 31 0.960 5.482 2.824
212 HA HIS 31 HA HIS 31 3.741 5.401 3.150
213 HB2 HIS 31 1HB HIS 31 2.761 3.402 3.736
214 HB3 HIS 31 2HB HIS 31 1.648 3.424 2.372
215 HD1 HIS 31 HD1 HIS 31 5.382 2.957 2.948
216 HD2 HIS 31 HD2 HIS 31 2.342 1.697 0.412
217 HE1 HIS 31 HE1 HIS 31 6.437 1.255 1.428
218 H GLN 32 H GLN 32 1.741 5.180 0.235
219 HA GLN 32 HA GLN 32 3.548 4.496 -1.678
220 HB2 GLN 32 1HB GLN 32 1.357 6.565 -1.796
221 HB3 GLN 32 2HB GLN 32 2.266 6.060 -3.214
222 HG2 GLN 32 1HG GLN 32 1.527 3.733 -2.800
223 HG3 GLN 32 2HG GLN 32 0.526 4.327 -1.476
224 HE21 GLN 32 1HE2 GLN 32 -1.511 4.286 -2.088
225 HE22 GLN 32 2HE2 GLN 32 -2.129 4.826 -3.608
226 H ARG 33 H ARG 33 3.547 7.364 0.224
227 HA ARG 33 HA ARG 33 4.851 9.224 -1.304
228 HB2 ARG 33 1HB ARG 33 4.880 8.567 1.601
229 HB3 ARG 33 2HB ARG 33 6.089 9.697 1.005
230 HG2 ARG 33 1HG ARG 33 4.223 11.037 0.015
231 HG3 ARG 33 2HG ARG 33 3.099 9.971 0.860
232 HD2 ARG 33 1HD ARG 33 3.330 11.773 2.313
233 HD3 ARG 33 2HD ARG 33 4.443 10.572 2.968
234 HE ARG 33 HE ARG 33 5.737 12.331 1.138
235 HH11 ARG 33 1HH1 ARG 33 4.574 12.059 4.407
236 HH12 ARG 33 2HH1 ARG 33 5.697 13.216 5.042
237 HH21 ARG 33 1HH2 ARG 33 7.222 13.855 1.961
238 HH22 ARG 33 2HH2 ARG 33 7.202 14.237 3.649
239 H VAL 34 H VAL 34 6.370 6.632 0.606
240 HA VAL 34 HA VAL 34 9.022 7.149 0.118
241 HB VAL 34 HB VAL 34 9.486 4.816 0.501
242 HG11 VAL 34 1HG1 VAL 34 9.034 5.387 2.608
243 HG12 VAL 34 2HG1 VAL 34 7.612 6.318 2.133
244 HG13 VAL 34 3HG1 VAL 34 7.483 4.577 2.387
245 HG21 VAL 34 3HG2 VAL 34 6.551 4.360 -0.027
246 HG22 VAL 34 1HG2 VAL 34 7.900 3.818 -1.027
247 HG23 VAL 34 2HG2 VAL 34 7.670 3.143 0.587
248 H HIS 35 H HIS 35 6.653 5.733 -2.037
249 HA HIS 35 HA HIS 35 8.655 5.064 -4.030
250 HB2 HIS 35 1HB HIS 35 5.638 4.900 -4.184
251 HB3 HIS 35 2HB HIS 35 6.773 4.214 -5.343
252 HD1 HIS 35 HD1 HIS 35 8.670 2.626 -3.770
253 HD2 HIS 35 HD2 HIS 35 4.664 2.879 -2.697
254 HE1 HIS 35 HE1 HIS 35 8.225 0.599 -2.350
255 H SER 36 H SER 36 8.171 7.871 -3.182
256 HA SER 36 HA SER 36 7.615 8.973 -5.854
257 HB2 SER 36 1HB SER 36 5.715 9.415 -4.313
258 HB3 SER 36 2HB SER 36 6.821 10.259 -3.230
259 HG SER 36 HG SER 36 7.294 11.614 -5.139
260 H GLY 37 H GLY 37 9.086 9.657 -2.683
261 HA2 GLY 37 1HA GLY 37 10.886 11.600 -3.887
262 HA3 GLY 37 2HA GLY 37 10.770 11.202 -2.179
263 H GLU 38 H GLU 38 11.436 8.805 -1.739
264 HA GLU 38 HA GLU 38 14.167 8.583 -2.274
265 HB2 GLU 38 1HB GLU 38 12.665 7.457 -0.449
266 HB3 GLU 38 2HB GLU 38 12.521 6.165 -1.632
267 HG2 GLU 38 1HG GLU 38 14.293 5.724 -0.021
268 HG3 GLU 38 2HG GLU 38 14.926 5.882 -1.658
269 H LYS 39 H LYS 39 15.192 8.051 -4.074
270 HA LYS 39 HA LYS 39 14.238 5.874 -5.732
271 HB2 LYS 39 1HB LYS 39 13.249 8.210 -6.472
272 HB3 LYS 39 2HB LYS 39 14.842 8.412 -7.190
273 HG2 LYS 39 1HG LYS 39 14.546 6.532 -8.599
274 HG3 LYS 39 2HG LYS 39 13.093 6.028 -7.731
275 HD2 LYS 39 1HD LYS 39 13.280 8.673 -9.150
276 HD3 LYS 39 2HD LYS 39 12.760 7.199 -9.970
277 HE2 LYS 39 1HE LYS 39 11.475 8.125 -7.420
278 HE3 LYS 39 2HE LYS 39 10.954 8.734 -8.990
279 HZ1 LYS 39 3HZ LYS 39 10.952 5.898 -8.110
280 HZ2 LYS 39 1HZ LYS 39 10.551 6.422 -9.669
281 HZ3 LYS 39 2HZ LYS 39 9.595 6.880 -8.351
282 HA PRO 40 HA PRO 40 18.588 5.234 -6.034
283 HB2 PRO 40 1HB PRO 40 18.597 3.501 -8.124
284 HB3 PRO 40 2HB PRO 40 18.076 3.043 -6.499
285 HG2 PRO 40 1HG PRO 40 16.421 3.797 -8.877
286 HG3 PRO 40 2HG PRO 40 16.169 2.487 -7.708
287 HD2 PRO 40 1HD PRO 40 14.816 4.830 -7.586
288 HD3 PRO 40 2HD PRO 40 15.245 3.898 -6.137
289 H SER 41 H SER 41 16.677 6.554 -8.583
290 HA SER 41 HA SER 41 17.184 7.670 -10.519
291 HB2 SER 41 1HB SER 41 19.410 8.710 -8.749
292 HB3 SER 41 2HB SER 41 18.786 9.498 -10.198
293 HG SER 41 HG SER 41 17.603 9.204 -7.674
294 H GLY 42 H GLY 42 18.304 5.046 -10.424
295 HA2 GLY 42 1HA GLY 42 20.965 5.342 -11.610
296 HA3 GLY 42 2HA GLY 42 20.209 3.831 -11.127
297 HA PRO 43 HA PRO 43 19.990 4.044 -15.728
298 HB2 PRO 43 1HB PRO 43 20.595 1.423 -16.097
299 HB3 PRO 43 2HB PRO 43 21.827 2.677 -15.912
300 HG2 PRO 43 1HG PRO 43 20.764 0.753 -13.880
301 HG3 PRO 43 2HG PRO 43 22.439 1.249 -14.181
302 HD2 PRO 43 1HD PRO 43 20.957 2.274 -12.160
303 HD3 PRO 43 2HD PRO 43 22.200 3.218 -13.006
304 H SER 44 H SER 44 18.643 2.700 -17.209
305 HA SER 44 HA SER 44 16.687 0.920 -16.150
306 HB2 SER 44 1HB SER 44 14.705 2.360 -16.561
307 HB3 SER 44 2HB SER 44 15.721 2.967 -15.253
308 HG SER 44 HG SER 44 16.618 4.449 -16.743
309 H SER 45 H SER 45 14.731 0.931 -17.930
310 HA SER 45 HA SER 45 15.976 -0.008 -20.304
311 HB2 SER 45 1HB SER 45 13.654 -0.343 -21.115
312 HB3 SER 45 2HB SER 45 13.906 -1.012 -19.503
313 HG SER 45 HG SER 45 12.913 1.603 -19.846
314 H GLY 46 H GLY 46 17.157 1.889 -20.968
315 HA2 GLY 46 1HA GLY 46 15.885 4.321 -21.671
316 HA3 GLY 46 2HA GLY 46 17.472 3.795 -22.212
Start of MODEL 17
1 H1 GLY 1 1H GLY 1 6.844 -24.976 11.316
2 HA2 GLY 1 1HA GLY 1 6.633 -27.880 10.846
3 HA3 GLY 1 2HA GLY 1 5.309 -26.999 11.593
4 H SER 2 H SER 2 5.116 -28.502 9.199
5 HA SER 2 HA SER 2 4.760 -26.389 7.179
6 HB2 SER 2 1HB SER 2 6.266 -28.181 6.460
7 HB3 SER 2 2HB SER 2 5.022 -29.383 6.805
8 HG SER 2 HG SER 2 3.728 -28.044 5.239
9 H SER 3 H SER 3 2.748 -25.697 7.990
10 HA SER 3 HA SER 3 0.553 -27.641 7.716
11 HB2 SER 3 1HB SER 3 0.981 -26.420 9.958
12 HB3 SER 3 2HB SER 3 0.308 -25.005 9.148
13 HG SER 3 HG SER 3 -0.934 -27.368 9.944
14 H GLY 4 H GLY 4 1.466 -24.269 7.066
15 HA2 GLY 4 1HA GLY 4 1.065 -23.218 4.969
16 HA3 GLY 4 2HA GLY 4 -0.249 -24.350 4.685
17 H SER 5 H SER 5 0.694 -21.708 6.874
18 HA SER 5 HA SER 5 -2.041 -20.674 6.671
19 HB2 SER 5 1HB SER 5 -0.610 -21.491 9.159
20 HB3 SER 5 2HB SER 5 -1.633 -20.056 9.225
21 HG SER 5 HG SER 5 -2.633 -22.406 8.064
22 H SER 6 H SER 6 -1.877 -18.701 5.859
23 HA SER 6 HA SER 6 0.535 -17.193 5.908
24 HB2 SER 6 1HB SER 6 -2.241 -16.224 5.192
25 HB3 SER 6 2HB SER 6 -0.709 -15.492 4.716
26 HG SER 6 HG SER 6 -1.856 -17.920 3.854
27 H GLY 7 H GLY 7 -2.675 -16.514 7.323
28 HA2 GLY 7 1HA GLY 7 -1.580 -15.645 9.802
29 HA3 GLY 7 2HA GLY 7 -1.991 -14.268 8.790
30 H THR 8 H THR 8 -3.385 -13.987 10.816
31 HA THR 8 HA THR 8 -5.905 -15.481 10.543
32 HB THR 8 HB THR 8 -4.858 -15.576 12.779
33 HG1 THR 8 HG1 THR 8 -6.804 -15.496 13.643
34 HG21 THR 8 3HG2 THR 8 -4.136 -12.998 12.381
35 HG22 THR 8 1HG2 THR 8 -4.203 -13.767 13.966
36 HG23 THR 8 2HG2 THR 8 -5.554 -12.782 13.407
37 H GLY 9 H GLY 9 -5.348 -13.457 8.683
38 HA2 GLY 9 1HA GLY 9 -7.584 -12.070 8.330
39 HA3 GLY 9 2HA GLY 9 -6.807 -11.089 9.564
40 H GLU 10 H GLU 10 -7.418 -10.997 6.470
41 HA GLU 10 HA GLU 10 -4.743 -10.078 5.657
42 HB2 GLU 10 1HB GLU 10 -5.536 -10.309 3.344
43 HB3 GLU 10 2HB GLU 10 -5.663 -11.824 4.226
44 HG2 GLU 10 1HG GLU 10 -8.056 -11.410 4.568
45 HG3 GLU 10 2HG GLU 10 -7.917 -9.918 3.640
46 H LYS 11 H LYS 11 -4.950 -8.283 3.886
47 HA LYS 11 HA LYS 11 -6.825 -6.245 4.897
48 HB2 LYS 11 1HB LYS 11 -3.933 -6.069 4.140
49 HB3 LYS 11 2HB LYS 11 -4.962 -4.654 3.956
50 HG2 LYS 11 1HG LYS 11 -5.264 -4.407 6.218
51 HG3 LYS 11 2HG LYS 11 -4.951 -6.112 6.555
52 HD2 LYS 11 1HD LYS 11 -2.656 -5.845 6.447
53 HD3 LYS 11 2HD LYS 11 -2.768 -4.389 5.456
54 HE2 LYS 11 1HE LYS 11 -3.428 -3.071 7.308
55 HE3 LYS 11 2HE LYS 11 -3.720 -4.493 8.308
56 HZ1 LYS 11 3HZ LYS 11 -1.624 -4.455 8.978
57 HZ2 LYS 11 1HZ LYS 11 -1.390 -3.009 8.132
58 HZ3 LYS 11 2HZ LYS 11 -1.049 -4.488 7.387
59 HA PRO 12 HA PRO 12 -8.420 -5.943 0.805
60 HB2 PRO 12 1HB PRO 12 -9.436 -3.429 0.919
61 HB3 PRO 12 2HB PRO 12 -10.185 -4.805 1.737
62 HG2 PRO 12 1HG PRO 12 -8.395 -2.681 2.854
63 HG3 PRO 12 2HG PRO 12 -9.871 -3.379 3.547
64 HD2 PRO 12 1HD PRO 12 -7.394 -4.134 4.337
65 HD3 PRO 12 2HD PRO 12 -8.773 -5.251 4.322
66 H TYR 13 H TYR 13 -6.585 -3.125 1.976
67 HA TYR 13 HA TYR 13 -5.817 -2.433 -0.742
68 HB2 TYR 13 1HB TYR 13 -4.926 -1.100 1.817
69 HB3 TYR 13 2HB TYR 13 -4.886 -0.433 0.189
70 HD1 TYR 13 HD2 TYR 13 -6.928 0.378 -0.875
71 HD2 TYR 13 HD1 TYR 13 -6.982 -1.156 3.093
72 HE1 TYR 13 HE2 TYR 13 -9.147 1.380 -0.524
73 HE2 TYR 13 HE1 TYR 13 -9.201 -0.159 3.455
74 HH TYR 13 HH TYR 13 -11.092 0.628 2.201
75 H ASN 14 H ASN 14 -3.866 -2.780 -1.641
76 HA ASN 14 HA ASN 14 -1.633 -3.647 0.027
77 HB2 ASN 14 1HB ASN 14 -1.197 -5.629 -1.294
78 HB3 ASN 14 2HB ASN 14 -2.841 -5.710 -0.667
79 HD21 ASN 14 1HD2 ASN 14 -1.106 -6.444 -3.245
80 HD22 ASN 14 2HD2 ASN 14 -2.268 -6.217 -4.504
81 H CYS 15 H CYS 15 0.169 -2.654 -0.584
82 HA CYS 15 HA CYS 15 0.230 -0.968 -2.875
83 HB2 CYS 15 1HB CYS 15 1.452 -0.450 -0.790
84 HB3 CYS 15 2HB CYS 15 2.504 -1.833 -1.075
85 H LYS 16 H LYS 16 1.208 -1.221 -4.827
86 HA LYS 16 HA LYS 16 2.028 -3.942 -5.517
87 HB2 LYS 16 1HB LYS 16 1.348 -1.561 -7.251
88 HB3 LYS 16 2HB LYS 16 1.832 -3.135 -7.868
89 HG2 LYS 16 1HG LYS 16 -0.548 -2.774 -6.074
90 HG3 LYS 16 2HG LYS 16 -0.647 -2.635 -7.831
91 HD2 LYS 16 1HD LYS 16 0.553 -4.955 -7.793
92 HD3 LYS 16 2HD LYS 16 -0.071 -5.033 -6.143
93 HE2 LYS 16 1HE LYS 16 -1.794 -4.444 -8.541
94 HE3 LYS 16 2HE LYS 16 -1.530 -6.071 -7.917
95 HZ1 LYS 16 3HZ LYS 16 -2.367 -4.093 -5.965
96 HZ2 LYS 16 1HZ LYS 16 -2.852 -5.703 -6.154
97 HZ3 LYS 16 2HZ LYS 16 -3.524 -4.497 -7.131
98 H GLU 17 H GLU 17 3.269 -0.704 -5.232
99 HA GLU 17 HA GLU 17 5.562 -0.826 -6.776
100 HB2 GLU 17 1HB GLU 17 4.904 0.604 -4.221
101 HB3 GLU 17 2HB GLU 17 6.517 0.716 -4.910
102 HG2 GLU 17 1HG GLU 17 5.831 1.962 -6.684
103 HG3 GLU 17 2HG GLU 17 4.213 1.262 -6.693
104 H CYS 18 H CYS 18 5.411 -1.463 -3.266
105 HA CYS 18 HA CYS 18 7.871 -3.038 -3.507
106 HB2 CYS 18 1HB CYS 18 7.921 -2.893 -1.017
107 HB3 CYS 18 2HB CYS 18 7.961 -1.322 -1.812
108 H GLY 19 H GLY 19 4.554 -3.240 -2.278
109 HA2 GLY 19 1HA GLY 19 3.350 -5.329 -2.693
110 HA3 GLY 19 2HA GLY 19 4.839 -6.180 -2.308
111 H LYS 20 H LYS 20 3.318 -3.480 -0.591
112 HA LYS 20 HA LYS 20 3.320 -5.128 1.835
113 HB2 LYS 20 1HB LYS 20 3.463 -2.200 1.292
114 HB3 LYS 20 2HB LYS 20 2.729 -2.722 2.803
115 HG2 LYS 20 1HG LYS 20 4.890 -4.148 3.047
116 HG3 LYS 20 2HG LYS 20 5.546 -3.012 1.866
117 HD2 LYS 20 1HD LYS 20 4.871 -1.147 3.351
118 HD3 LYS 20 2HD LYS 20 4.340 -2.332 4.547
119 HE2 LYS 20 1HE LYS 20 6.684 -3.258 4.495
120 HE3 LYS 20 2HE LYS 20 7.135 -1.851 3.533
121 HZ1 LYS 20 3HZ LYS 20 7.120 -0.538 5.321
122 HZ2 LYS 20 1HZ LYS 20 7.172 -1.966 6.228
123 HZ3 LYS 20 2HZ LYS 20 5.691 -1.202 5.938
124 H SER 21 H SER 21 1.463 -4.114 3.407
125 HA SER 21 HA SER 21 -1.061 -4.193 1.894
126 HB2 SER 21 1HB SER 21 -0.413 -5.711 4.431
127 HB3 SER 21 2HB SER 21 -2.030 -5.570 3.742
128 HG SER 21 HG SER 21 -0.725 -6.391 1.749
129 H PHE 22 H PHE 22 -2.927 -3.372 3.156
130 HA PHE 22 HA PHE 22 -2.367 -1.690 5.432
131 HB2 PHE 22 1HB PHE 22 -3.274 -0.416 2.842
132 HB3 PHE 22 2HB PHE 22 -3.063 0.403 4.386
133 HD1 PHE 22 HD2 PHE 22 -1.252 -1.406 1.712
134 HD2 PHE 22 HD1 PHE 22 -0.979 1.256 5.022
135 HE1 PHE 22 HE2 PHE 22 1.091 -0.931 1.132
136 HE2 PHE 22 HE1 PHE 22 1.365 1.736 4.446
137 HZ PHE 22 HZ PHE 22 2.403 0.641 2.500
138 H ARG 23 H ARG 23 -4.165 -1.291 6.638
139 HA ARG 23 HA ARG 23 -6.514 -2.802 6.036
140 HB2 ARG 23 1HB ARG 23 -5.547 -2.363 8.344
141 HB3 ARG 23 2HB ARG 23 -6.216 -0.741 8.218
142 HG2 ARG 23 1HG ARG 23 -8.034 -3.038 7.740
143 HG3 ARG 23 2HG ARG 23 -7.525 -2.703 9.396
144 HD2 ARG 23 1HD ARG 23 -8.307 -0.382 9.140
145 HD3 ARG 23 2HD ARG 23 -8.860 -0.765 7.511
146 HE ARG 23 HE ARG 23 -10.138 -1.476 9.996
147 HH11 ARG 23 1HH1 ARG 23 -9.837 -2.171 6.598
148 HH12 ARG 23 2HH1 ARG 23 -11.388 -2.934 6.484
149 HH21 ARG 23 1HH2 ARG 23 -12.183 -2.478 9.858
150 HH22 ARG 23 2HH2 ARG 23 -12.722 -3.107 8.338
151 H TRP 24 H TRP 24 -5.776 0.665 6.227
152 HA TRP 24 HA TRP 24 -8.359 1.218 4.929
153 HB2 TRP 24 1HB TRP 24 -6.592 2.985 6.630
154 HB3 TRP 24 2HB TRP 24 -8.010 3.564 5.760
155 HD1 TRP 24 HD1 TRP 24 -7.052 2.401 9.069
156 HE1 TRP 24 HE1 TRP 24 -9.104 1.684 10.446
157 HE3 TRP 24 HE3 TRP 24 -10.499 2.125 5.304
158 HZ2 TRP 24 HZ2 TRP 24 -11.825 1.080 9.996
159 HZ3 TRP 24 HZ3 TRP 24 -12.804 1.469 5.861
160 HH2 TRP 24 HH2 TRP 24 -13.451 0.958 8.159
161 H ALA 25 H ALA 25 -8.421 2.845 3.269
162 HA ALA 25 HA ALA 25 -6.460 2.526 1.297
163 HB1 ALA 25 3HB ALA 25 -8.161 4.964 1.269
164 HB2 ALA 25 1HB ALA 25 -7.774 3.837 -0.032
165 HB3 ALA 25 2HB ALA 25 -8.952 3.389 1.202
166 H SER 26 H SER 26 -7.196 5.472 3.177
167 HA SER 26 HA SER 26 -5.171 7.096 2.348
168 HB2 SER 26 1HB SER 26 -5.303 8.213 4.537
169 HB3 SER 26 2HB SER 26 -6.910 7.803 3.937
170 HG SER 26 HG SER 26 -5.438 6.640 6.030
171 H CYS 27 H CYS 27 -4.971 4.589 4.844
172 HA CYS 27 HA CYS 27 -2.414 5.033 5.780
173 HB2 CYS 27 1HB CYS 27 -3.950 2.467 5.389
174 HB3 CYS 27 2HB CYS 27 -2.372 2.510 6.167
175 HG CYS 27 HG CYS 27 -3.323 4.370 8.157
176 H LEU 28 H LEU 28 -3.429 3.248 2.901
177 HA LEU 28 HA LEU 28 -0.783 2.427 2.199
178 HB2 LEU 28 1HB LEU 28 -2.362 1.023 1.307
179 HB3 LEU 28 2HB LEU 28 -3.466 2.340 0.915
180 HG LEU 28 HG LEU 28 -2.103 2.938 -1.008
181 HD11 LEU 28 1HD1 LEU 28 0.019 2.004 0.189
182 HD12 LEU 28 2HD1 LEU 28 -0.098 1.967 -1.570
183 HD13 LEU 28 3HD1 LEU 28 -0.416 0.506 -0.636
184 HD21 LEU 28 3HD2 LEU 28 -3.788 1.430 -1.579
185 HD22 LEU 28 1HD2 LEU 28 -3.001 0.088 -0.749
186 HD23 LEU 28 2HD2 LEU 28 -2.330 0.706 -2.259
187 H LEU 29 H LEU 29 -2.989 4.950 1.023
188 HA LEU 29 HA LEU 29 -1.432 5.983 -1.021
189 HB2 LEU 29 1HB LEU 29 -3.605 6.800 -0.883
190 HB3 LEU 29 2HB LEU 29 -3.448 7.196 0.827
191 HG LEU 29 HG LEU 29 -1.859 9.032 0.130
192 HD11 LEU 29 1HD1 LEU 29 -2.563 9.702 -2.362
193 HD12 LEU 29 2HD1 LEU 29 -2.617 7.945 -2.510
194 HD13 LEU 29 3HD1 LEU 29 -1.131 8.740 -1.990
195 HD21 LEU 29 3HD2 LEU 29 -4.596 9.381 -1.052
196 HD22 LEU 29 1HD2 LEU 29 -3.595 10.565 -0.211
197 HD23 LEU 29 2HD2 LEU 29 -4.344 9.245 0.689
198 H LYS 30 H LYS 30 -1.369 6.745 2.436
199 HA LYS 30 HA LYS 30 0.516 8.826 2.311
200 HB2 LYS 30 1HB LYS 30 -1.002 7.958 4.275
201 HB3 LYS 30 2HB LYS 30 0.406 6.977 4.662
202 HG2 LYS 30 1HG LYS 30 1.632 9.314 4.437
203 HG3 LYS 30 2HG LYS 30 0.022 9.909 4.849
204 HD2 LYS 30 1HD LYS 30 0.053 8.941 6.940
205 HD3 LYS 30 2HD LYS 30 1.215 7.699 6.463
206 HE2 LYS 30 1HE LYS 30 2.055 10.562 6.473
207 HE3 LYS 30 2HE LYS 30 1.938 9.695 8.003
208 HZ1 LYS 30 3HZ LYS 30 4.167 9.674 6.831
209 HZ2 LYS 30 1HZ LYS 30 3.466 8.615 5.713
210 HZ3 LYS 30 2HZ LYS 30 3.568 8.178 7.344
211 H HIS 31 H HIS 31 0.887 5.330 2.615
212 HA HIS 31 HA HIS 31 3.651 5.286 3.126
213 HB2 HIS 31 1HB HIS 31 2.665 3.240 3.535
214 HB3 HIS 31 2HB HIS 31 1.661 3.315 2.091
215 HD1 HIS 31 HD1 HIS 31 5.239 2.634 3.114
216 HD2 HIS 31 HD2 HIS 31 2.663 1.985 -0.080
217 HE1 HIS 31 HE1 HIS 31 6.484 1.113 1.545
218 H GLN 32 H GLN 32 1.816 5.276 0.105
219 HA GLN 32 HA GLN 32 3.681 4.705 -1.774
220 HB2 GLN 32 1HB GLN 32 1.568 6.855 -1.796
221 HB3 GLN 32 2HB GLN 32 2.540 6.475 -3.212
222 HG2 GLN 32 1HG GLN 32 1.635 4.314 -3.387
223 HG3 GLN 32 2HG GLN 32 0.938 4.391 -1.769
224 HE21 GLN 32 1HE2 GLN 32 -1.080 3.818 -2.679
225 HE22 GLN 32 2HE2 GLN 32 -2.049 4.989 -3.500
226 H ARG 33 H ARG 33 3.607 7.502 0.280
227 HA ARG 33 HA ARG 33 5.124 9.355 -1.036
228 HB2 ARG 33 1HB ARG 33 5.043 8.558 1.860
229 HB3 ARG 33 2HB ARG 33 6.110 9.843 1.310
230 HG2 ARG 33 1HG ARG 33 4.263 11.152 0.555
231 HG3 ARG 33 2HG ARG 33 3.139 9.821 0.839
232 HD2 ARG 33 1HD ARG 33 2.829 11.194 2.691
233 HD3 ARG 33 2HD ARG 33 3.935 9.954 3.282
234 HE ARG 33 HE ARG 33 5.193 12.352 2.261
235 HH11 ARG 33 1HH1 ARG 33 3.941 10.672 5.042
236 HH12 ARG 33 2HH1 ARG 33 4.868 11.593 6.179
237 HH21 ARG 33 1HH2 ARG 33 6.419 13.572 3.748
238 HH22 ARG 33 2HH2 ARG 33 6.276 13.243 5.442
239 H VAL 34 H VAL 34 6.355 6.614 0.871
240 HA VAL 34 HA VAL 34 9.060 7.039 0.665
241 HB VAL 34 HB VAL 34 9.402 4.699 1.010
242 HG11 VAL 34 1HG1 VAL 34 8.520 4.734 3.057
243 HG12 VAL 34 2HG1 VAL 34 7.734 6.242 2.585
244 HG13 VAL 34 3HG1 VAL 34 6.872 4.711 2.430
245 HG21 VAL 34 3HG2 VAL 34 7.278 3.195 0.856
246 HG22 VAL 34 1HG2 VAL 34 6.712 4.437 -0.261
247 HG23 VAL 34 2HG2 VAL 34 8.203 3.559 -0.601
248 H HIS 35 H HIS 35 6.866 5.771 -1.766
249 HA HIS 35 HA HIS 35 9.014 5.127 -3.597
250 HB2 HIS 35 1HB HIS 35 6.015 5.122 -3.995
251 HB3 HIS 35 2HB HIS 35 7.194 4.506 -5.148
252 HD1 HIS 35 HD1 HIS 35 8.889 2.621 -3.801
253 HD2 HIS 35 HD2 HIS 35 4.941 3.091 -2.595
254 HE1 HIS 35 HE1 HIS 35 8.307 0.509 -2.567
255 H SER 36 H SER 36 6.772 7.729 -3.013
256 HA SER 36 HA SER 36 6.674 9.069 -5.391
257 HB2 SER 36 1HB SER 36 5.523 9.833 -3.356
258 HB3 SER 36 2HB SER 36 7.069 10.316 -2.659
259 HG SER 36 HG SER 36 7.273 11.741 -4.515
260 H GLY 37 H GLY 37 9.100 9.808 -2.874
261 HA2 GLY 37 1HA GLY 37 11.166 10.023 -4.909
262 HA3 GLY 37 2HA GLY 37 10.747 11.521 -4.093
263 H GLU 38 H GLU 38 11.156 8.169 -2.956
264 HA GLU 38 HA GLU 38 13.423 9.013 -1.325
265 HB2 GLU 38 1HB GLU 38 11.508 9.370 0.137
266 HB3 GLU 38 2HB GLU 38 10.934 7.738 -0.178
267 HG2 GLU 38 1HG GLU 38 11.980 7.787 1.967
268 HG3 GLU 38 2HG GLU 38 12.993 6.856 0.866
269 H LYS 39 H LYS 39 14.973 7.516 -1.298
270 HA LYS 39 HA LYS 39 14.269 4.785 -2.155
271 HB2 LYS 39 1HB LYS 39 17.046 5.873 -2.397
272 HB3 LYS 39 2HB LYS 39 16.252 4.626 -3.349
273 HG2 LYS 39 1HG LYS 39 16.250 6.297 -4.877
274 HG3 LYS 39 2HG LYS 39 14.727 6.670 -4.067
275 HD2 LYS 39 1HD LYS 39 15.696 8.738 -4.026
276 HD3 LYS 39 2HD LYS 39 16.323 8.093 -2.508
277 HE2 LYS 39 1HE LYS 39 17.882 7.616 -4.995
278 HE3 LYS 39 2HE LYS 39 17.902 9.235 -4.298
279 HZ1 LYS 39 3HZ LYS 39 18.408 7.902 -2.125
280 HZ2 LYS 39 1HZ LYS 39 19.647 8.277 -3.214
281 HZ3 LYS 39 2HZ LYS 39 18.965 6.729 -3.209
282 HA PRO 40 HA PRO 40 15.717 4.355 2.189
283 HB2 PRO 40 1HB PRO 40 14.046 2.294 2.762
284 HB3 PRO 40 2HB PRO 40 13.556 3.989 2.876
285 HG2 PRO 40 1HG PRO 40 13.054 2.016 0.681
286 HG3 PRO 40 2HG PRO 40 11.944 3.200 1.397
287 HD2 PRO 40 1HD PRO 40 13.202 3.623 -0.963
288 HD3 PRO 40 2HD PRO 40 12.803 4.942 0.156
289 H SER 41 H SER 41 16.797 2.573 3.227
290 HA SER 41 HA SER 41 17.609 0.427 1.380
291 HB2 SER 41 1HB SER 41 19.442 2.007 1.525
292 HB3 SER 41 2HB SER 41 19.367 1.988 3.287
293 HG SER 41 HG SER 41 20.628 0.285 1.602
294 H GLY 42 H GLY 42 16.049 -0.935 2.382
295 HA2 GLY 42 1HA GLY 42 16.797 -1.768 5.117
296 HA3 GLY 42 2HA GLY 42 15.147 -1.803 4.516
297 HA PRO 43 HA PRO 43 17.340 -5.944 3.902
298 HB2 PRO 43 1HB PRO 43 15.821 -7.384 5.631
299 HB3 PRO 43 2HB PRO 43 17.308 -6.560 6.115
300 HG2 PRO 43 1HG PRO 43 14.464 -5.689 6.452
301 HG3 PRO 43 2HG PRO 43 15.806 -5.597 7.607
302 HD2 PRO 43 1HD PRO 43 14.983 -3.463 6.158
303 HD3 PRO 43 2HD PRO 43 16.676 -3.696 6.637
304 H SER 44 H SER 44 16.368 -5.854 1.825
305 HA SER 44 HA SER 44 13.551 -6.460 1.548
306 HB2 SER 44 1HB SER 44 15.718 -6.147 -0.544
307 HB3 SER 44 2HB SER 44 13.995 -6.311 -0.879
308 HG SER 44 HG SER 44 15.038 -4.095 -0.707
309 H SER 45 H SER 45 12.669 -8.391 1.092
310 HA SER 45 HA SER 45 14.124 -10.760 1.521
311 HB2 SER 45 1HB SER 45 12.068 -11.924 0.835
312 HB3 SER 45 2HB SER 45 11.705 -10.591 1.931
313 HG SER 45 HG SER 45 11.180 -9.339 0.066
314 H GLY 46 H GLY 46 15.252 -12.047 0.201
315 HA2 GLY 46 1HA GLY 46 15.677 -11.218 -2.531
316 HA3 GLY 46 2HA GLY 46 16.480 -12.544 -1.704
Start of MODEL 18
1 H1 GLY 1 1H GLY 1 14.569 -21.687 6.922
2 HA2 GLY 1 1HA GLY 1 12.761 -24.017 6.984
3 HA3 GLY 1 2HA GLY 1 12.792 -22.872 8.316
4 H SER 2 H SER 2 10.575 -23.608 6.562
5 HA SER 2 HA SER 2 9.640 -20.956 5.993
6 HB2 SER 2 1HB SER 2 10.164 -22.877 3.718
7 HB3 SER 2 2HB SER 2 9.108 -21.471 3.580
8 HG SER 2 HG SER 2 11.857 -21.618 3.656
9 H SER 3 H SER 3 7.549 -20.897 6.473
10 HA SER 3 HA SER 3 5.882 -23.253 5.984
11 HB2 SER 3 1HB SER 3 5.989 -21.804 8.641
12 HB3 SER 3 2HB SER 3 4.889 -23.118 8.226
13 HG SER 3 HG SER 3 6.532 -24.532 8.265
14 H GLY 4 H GLY 4 3.980 -22.734 5.107
15 HA2 GLY 4 1HA GLY 4 3.334 -19.945 4.706
16 HA3 GLY 4 2HA GLY 4 2.471 -21.325 4.042
17 H SER 5 H SER 5 3.200 -20.537 7.423
18 HA SER 5 HA SER 5 0.634 -21.235 8.338
19 HB2 SER 5 1HB SER 5 2.846 -21.023 9.661
20 HB3 SER 5 2HB SER 5 2.433 -19.314 9.801
21 HG SER 5 HG SER 5 0.973 -19.802 11.230
22 H SER 6 H SER 6 -1.223 -20.200 8.108
23 HA SER 6 HA SER 6 -1.217 -17.379 7.361
24 HB2 SER 6 1HB SER 6 -2.566 -19.109 6.096
25 HB3 SER 6 2HB SER 6 -3.598 -19.235 7.520
26 HG SER 6 HG SER 6 -4.523 -17.738 6.177
27 H GLY 7 H GLY 7 -1.098 -16.045 9.063
28 HA2 GLY 7 1HA GLY 7 -2.893 -16.587 11.348
29 HA3 GLY 7 2HA GLY 7 -1.326 -15.809 11.511
30 H THR 8 H THR 8 -1.260 -13.893 9.678
31 HA THR 8 HA THR 8 -3.025 -11.925 10.728
32 HB THR 8 HB THR 8 -2.004 -10.405 9.061
33 HG1 THR 8 HG1 THR 8 -0.632 -11.173 7.539
34 HG21 THR 8 3HG2 THR 8 0.411 -11.738 10.004
35 HG22 THR 8 1HG2 THR 8 -0.812 -11.561 11.261
36 HG23 THR 8 2HG2 THR 8 -0.224 -10.141 10.397
37 H GLY 9 H GLY 9 -4.663 -10.756 9.677
38 HA2 GLY 9 1HA GLY 9 -6.390 -12.287 8.047
39 HA3 GLY 9 2HA GLY 9 -6.567 -10.576 8.406
40 H GLU 10 H GLU 10 -7.397 -10.760 6.098
41 HA GLU 10 HA GLU 10 -5.143 -10.377 4.238
42 HB2 GLU 10 1HB GLU 10 -7.881 -11.530 3.685
43 HB3 GLU 10 2HB GLU 10 -6.719 -11.109 2.435
44 HG2 GLU 10 1HG GLU 10 -6.043 -13.030 4.633
45 HG3 GLU 10 2HG GLU 10 -6.859 -13.546 3.158
46 H LYS 11 H LYS 11 -5.020 -8.159 4.508
47 HA LYS 11 HA LYS 11 -7.217 -6.399 4.497
48 HB2 LYS 11 1HB LYS 11 -4.309 -5.950 3.813
49 HB3 LYS 11 2HB LYS 11 -5.490 -4.653 3.942
50 HG2 LYS 11 1HG LYS 11 -5.795 -5.033 6.255
51 HG3 LYS 11 2HG LYS 11 -4.921 -6.566 6.189
52 HD2 LYS 11 1HD LYS 11 -2.862 -5.349 5.619
53 HD3 LYS 11 2HD LYS 11 -3.745 -3.824 5.725
54 HE2 LYS 11 1HE LYS 11 -2.701 -4.003 7.801
55 HE3 LYS 11 2HE LYS 11 -4.341 -4.572 8.110
56 HZ1 LYS 11 3HZ LYS 11 -1.857 -5.979 8.322
57 HZ2 LYS 11 1HZ LYS 11 -2.989 -6.822 7.390
58 HZ3 LYS 11 2HZ LYS 11 -3.371 -6.362 8.971
59 HA PRO 12 HA PRO 12 -8.372 -6.262 0.252
60 HB2 PRO 12 1HB PRO 12 -9.515 -3.800 0.190
61 HB3 PRO 12 2HB PRO 12 -10.280 -5.195 0.960
62 HG2 PRO 12 1HG PRO 12 -8.727 -2.960 2.206
63 HG3 PRO 12 2HG PRO 12 -10.233 -3.718 2.755
64 HD2 PRO 12 1HD PRO 12 -7.822 -4.329 3.825
65 HD3 PRO 12 2HD PRO 12 -9.136 -5.515 3.692
66 H TYR 13 H TYR 13 -6.617 -3.504 1.612
67 HA TYR 13 HA TYR 13 -5.696 -2.710 -1.039
68 HB2 TYR 13 1HB TYR 13 -5.097 -1.452 1.645
69 HB3 TYR 13 2HB TYR 13 -4.761 -0.757 0.063
70 HD1 TYR 13 HD1 TYR 13 -7.357 -1.492 2.538
71 HD2 TYR 13 HD2 TYR 13 -6.547 0.190 -1.286
72 HE1 TYR 13 HE1 TYR 13 -9.569 -0.418 2.549
73 HE2 TYR 13 HE2 TYR 13 -8.757 1.270 -1.285
74 HH TYR 13 HH TYR 13 -10.444 2.010 0.905
75 H ASN 14 H ASN 14 -3.710 -3.096 -1.818
76 HA ASN 14 HA ASN 14 -1.548 -3.874 -0.037
77 HB2 ASN 14 1HB ASN 14 -1.100 -5.850 -1.696
78 HB3 ASN 14 2HB ASN 14 -2.257 -6.055 -0.384
79 HD21 ASN 14 1HD2 ASN 14 -2.034 -5.112 -3.784
80 HD22 ASN 14 2HD2 ASN 14 -3.566 -5.763 -4.246
81 H CYS 15 H CYS 15 -0.015 -2.484 -0.617
82 HA CYS 15 HA CYS 15 0.182 -1.128 -3.032
83 HB2 CYS 15 1HB CYS 15 1.347 -0.467 -0.949
84 HB3 CYS 15 2HB CYS 15 2.444 -1.829 -1.149
85 H LYS 16 H LYS 16 1.409 -1.397 -4.886
86 HA LYS 16 HA LYS 16 2.191 -4.167 -5.439
87 HB2 LYS 16 1HB LYS 16 1.745 -1.867 -7.352
88 HB3 LYS 16 2HB LYS 16 2.072 -3.535 -7.804
89 HG2 LYS 16 1HG LYS 16 -0.315 -2.752 -6.161
90 HG3 LYS 16 2HG LYS 16 -0.335 -2.770 -7.926
91 HD2 LYS 16 1HD LYS 16 0.650 -5.187 -6.492
92 HD3 LYS 16 2HD LYS 16 -1.087 -4.874 -6.517
93 HE2 LYS 16 1HE LYS 16 0.690 -5.040 -8.949
94 HE3 LYS 16 2HE LYS 16 -0.355 -6.334 -8.364
95 HZ1 LYS 16 3HZ LYS 16 -2.194 -4.567 -8.577
96 HZ2 LYS 16 1HZ LYS 16 -1.629 -5.323 -9.981
97 HZ3 LYS 16 2HZ LYS 16 -1.105 -3.762 -9.591
98 H GLU 17 H GLU 17 3.416 -0.865 -5.498
99 HA GLU 17 HA GLU 17 5.802 -1.123 -6.797
100 HB2 GLU 17 1HB GLU 17 5.010 0.482 -4.390
101 HB3 GLU 17 2HB GLU 17 6.664 0.535 -4.981
102 HG2 GLU 17 1HG GLU 17 4.219 1.206 -6.603
103 HG3 GLU 17 2HG GLU 17 5.292 2.377 -5.837
104 H CYS 18 H CYS 18 5.535 -1.427 -3.252
105 HA CYS 18 HA CYS 18 7.978 -3.028 -3.244
106 HB2 CYS 18 1HB CYS 18 7.924 -2.718 -0.802
107 HB3 CYS 18 2HB CYS 18 7.850 -1.178 -1.652
108 H GLY 19 H GLY 19 4.574 -3.232 -2.311
109 HA2 GLY 19 1HA GLY 19 3.395 -5.318 -2.621
110 HA3 GLY 19 2HA GLY 19 4.881 -6.163 -2.213
111 H LYS 20 H LYS 20 3.269 -3.465 -0.563
112 HA LYS 20 HA LYS 20 3.266 -5.083 1.887
113 HB2 LYS 20 1HB LYS 20 3.400 -2.151 1.332
114 HB3 LYS 20 2HB LYS 20 2.700 -2.687 2.854
115 HG2 LYS 20 1HG LYS 20 4.849 -4.058 3.132
116 HG3 LYS 20 2HG LYS 20 5.499 -3.037 1.848
117 HD2 LYS 20 1HD LYS 20 5.148 -1.061 3.149
118 HD3 LYS 20 2HD LYS 20 4.251 -1.963 4.373
119 HE2 LYS 20 1HE LYS 20 6.501 -3.343 4.491
120 HE3 LYS 20 2HE LYS 20 7.179 -1.847 3.852
121 HZ1 LYS 20 3HZ LYS 20 5.776 -2.275 6.416
122 HZ2 LYS 20 1HZ LYS 20 5.936 -0.729 5.749
123 HZ3 LYS 20 2HZ LYS 20 7.314 -1.623 6.152
124 H SER 21 H SER 21 1.401 -4.176 3.438
125 HA SER 21 HA SER 21 -1.106 -4.226 1.889
126 HB2 SER 21 1HB SER 21 -2.091 -5.550 3.776
127 HB3 SER 21 2HB SER 21 -0.831 -6.407 2.889
128 HG SER 21 HG SER 21 0.625 -5.805 4.561
129 H PHE 22 H PHE 22 -2.986 -3.363 3.087
130 HA PHE 22 HA PHE 22 -2.489 -1.653 5.349
131 HB2 PHE 22 1HB PHE 22 -3.134 -0.441 2.654
132 HB3 PHE 22 2HB PHE 22 -3.214 0.427 4.183
133 HD1 PHE 22 HD2 PHE 22 -0.977 -1.155 1.740
134 HD2 PHE 22 HD1 PHE 22 -1.238 1.186 5.284
135 HE1 PHE 22 HE2 PHE 22 1.407 -0.584 1.534
136 HE2 PHE 22 HE1 PHE 22 1.146 1.762 5.084
137 HZ PHE 22 HZ PHE 22 2.472 0.876 3.207
138 H ARG 23 H ARG 23 -4.315 -1.297 6.498
139 HA ARG 23 HA ARG 23 -6.677 -2.720 5.762
140 HB2 ARG 23 1HB ARG 23 -5.677 -2.179 8.129
141 HB3 ARG 23 2HB ARG 23 -6.632 -0.710 7.979
142 HG2 ARG 23 1HG ARG 23 -7.972 -3.304 7.443
143 HG3 ARG 23 2HG ARG 23 -7.590 -2.887 9.115
144 HD2 ARG 23 1HD ARG 23 -8.758 -0.714 8.767
145 HD3 ARG 23 2HD ARG 23 -9.246 -1.285 7.172
146 HE ARG 23 HE ARG 23 -10.447 -1.954 9.654
147 HH11 ARG 23 1HH1 ARG 23 -9.647 -3.260 6.528
148 HH12 ARG 23 2HH1 ARG 23 -10.929 -4.426 6.542
149 HH21 ARG 23 1HH2 ARG 23 -12.139 -3.484 9.685
150 HH22 ARG 23 2HH2 ARG 23 -12.346 -4.552 8.338
151 H TRP 24 H TRP 24 -6.060 0.742 6.365
152 HA TRP 24 HA TRP 24 -8.498 1.378 4.862
153 HB2 TRP 24 1HB TRP 24 -6.868 2.873 6.894
154 HB3 TRP 24 2HB TRP 24 -7.953 3.741 5.811
155 HD1 TRP 24 HD1 TRP 24 -7.937 2.222 9.116
156 HE1 TRP 24 HE1 TRP 24 -10.329 1.790 9.964
157 HE3 TRP 24 HE3 TRP 24 -10.474 2.792 4.714
158 HZ2 TRP 24 HZ2 TRP 24 -12.944 1.700 8.906
159 HZ3 TRP 24 HZ3 TRP 24 -12.919 2.516 4.718
160 HH2 TRP 24 HH2 TRP 24 -14.127 1.981 6.771
161 H ALA 25 H ALA 25 -8.481 2.957 3.208
162 HA ALA 25 HA ALA 25 -6.426 2.759 1.353
163 HB1 ALA 25 3HB ALA 25 -7.518 4.529 0.139
164 HB2 ALA 25 1HB ALA 25 -8.741 3.474 0.849
165 HB3 ALA 25 2HB ALA 25 -8.387 5.037 1.588
166 H SER 26 H SER 26 -7.237 5.714 3.187
167 HA SER 26 HA SER 26 -5.180 7.330 2.586
168 HB2 SER 26 1HB SER 26 -6.284 6.854 5.364
169 HB3 SER 26 2HB SER 26 -5.305 8.246 4.901
170 HG SER 26 HG SER 26 -7.768 8.332 4.830
171 H CYS 27 H CYS 27 -5.007 4.942 5.231
172 HA CYS 27 HA CYS 27 -2.450 5.262 6.076
173 HB2 CYS 27 1HB CYS 27 -4.003 2.708 5.659
174 HB3 CYS 27 2HB CYS 27 -2.435 2.743 6.457
175 HG CYS 27 HG CYS 27 -4.288 2.557 8.476
176 H LEU 28 H LEU 28 -3.434 3.224 3.327
177 HA LEU 28 HA LEU 28 -0.865 2.401 2.579
178 HB2 LEU 28 1HB LEU 28 -2.598 1.191 1.627
179 HB3 LEU 28 2HB LEU 28 -3.477 2.641 1.147
180 HG LEU 28 HG LEU 28 -1.807 3.036 -0.625
181 HD11 LEU 28 1HD1 LEU 28 -0.137 1.483 0.786
182 HD12 LEU 28 2HD1 LEU 28 0.045 1.787 -0.942
183 HD13 LEU 28 3HD1 LEU 28 -0.726 0.302 -0.385
184 HD21 LEU 28 3HD2 LEU 28 -3.802 1.897 -1.257
185 HD22 LEU 28 1HD2 LEU 28 -3.208 0.370 -0.604
186 HD23 LEU 28 2HD2 LEU 28 -2.453 1.069 -2.037
187 H LEU 29 H LEU 29 -2.797 5.181 1.526
188 HA LEU 29 HA LEU 29 -1.147 6.162 -0.468
189 HB2 LEU 29 1HB LEU 29 -2.958 7.533 1.493
190 HB3 LEU 29 2HB LEU 29 -2.068 8.437 0.270
191 HG LEU 29 HG LEU 29 -4.001 6.219 -0.382
192 HD11 LEU 29 1HD1 LEU 29 -4.499 8.957 0.438
193 HD12 LEU 29 2HD1 LEU 29 -5.625 7.619 0.214
194 HD13 LEU 29 3HD1 LEU 29 -5.142 8.605 -1.166
195 HD21 LEU 29 3HD2 LEU 29 -3.138 8.444 -2.185
196 HD22 LEU 29 1HD2 LEU 29 -3.778 6.853 -2.596
197 HD23 LEU 29 2HD2 LEU 29 -2.129 7.011 -1.989
198 H LYS 30 H LYS 30 -1.193 7.268 2.926
199 HA LYS 30 HA LYS 30 0.882 8.983 2.993
200 HB2 LYS 30 1HB LYS 30 -0.403 8.408 4.981
201 HB3 LYS 30 2HB LYS 30 0.325 6.807 5.017
202 HG2 LYS 30 1HG LYS 30 2.372 7.610 5.738
203 HG3 LYS 30 2HG LYS 30 2.042 9.248 5.170
204 HD2 LYS 30 1HD LYS 30 0.408 8.003 7.356
205 HD3 LYS 30 2HD LYS 30 1.952 8.785 7.703
206 HE2 LYS 30 1HE LYS 30 -0.344 10.102 6.258
207 HE3 LYS 30 2HE LYS 30 -0.025 10.272 7.983
208 HZ1 LYS 30 3HZ LYS 30 2.264 10.828 6.338
209 HZ2 LYS 30 1HZ LYS 30 1.598 11.731 7.604
210 HZ3 LYS 30 2HZ LYS 30 0.968 11.872 6.041
211 H HIS 31 H HIS 31 1.138 5.475 2.812
212 HA HIS 31 HA HIS 31 3.988 5.428 3.080
213 HB2 HIS 31 1HB HIS 31 3.096 3.398 3.705
214 HB3 HIS 31 2HB HIS 31 1.865 3.430 2.446
215 HD1 HIS 31 HD1 HIS 31 5.623 2.943 2.746
216 HD2 HIS 31 HD2 HIS 31 2.433 1.847 0.320
217 HE1 HIS 31 HE1 HIS 31 6.574 1.320 1.077
218 H GLN 32 H GLN 32 1.715 5.315 0.376
219 HA GLN 32 HA GLN 32 3.294 4.677 -1.738
220 HB2 GLN 32 1HB GLN 32 1.168 6.807 -1.544
221 HB3 GLN 32 2HB GLN 32 1.913 6.344 -3.068
222 HG2 GLN 32 1HG GLN 32 1.196 3.939 -2.355
223 HG3 GLN 32 2HG GLN 32 0.063 4.802 -1.316
224 HE21 GLN 32 1HE2 GLN 32 -1.859 5.003 -2.185
225 HE22 GLN 32 2HE2 GLN 32 -2.210 5.211 -3.864
226 H ARG 33 H ARG 33 3.492 7.535 0.209
227 HA ARG 33 HA ARG 33 4.738 9.372 -1.382
228 HB2 ARG 33 1HB ARG 33 5.132 8.654 1.508
229 HB3 ARG 33 2HB ARG 33 6.092 9.926 0.765
230 HG2 ARG 33 1HG ARG 33 4.118 11.191 0.247
231 HG3 ARG 33 2HG ARG 33 3.084 9.876 0.808
232 HD2 ARG 33 1HD ARG 33 4.810 11.737 2.396
233 HD3 ARG 33 2HD ARG 33 3.101 11.356 2.604
234 HE ARG 33 HE ARG 33 3.685 9.484 3.819
235 HH11 ARG 33 1HH1 ARG 33 6.510 10.890 2.348
236 HH12 ARG 33 2HH1 ARG 33 7.625 9.928 3.261
237 HH21 ARG 33 1HH2 ARG 33 5.143 8.212 5.028
238 HH22 ARG 33 2HH2 ARG 33 6.846 8.405 4.784
239 H VAL 34 H VAL 34 6.304 6.684 0.342
240 HA VAL 34 HA VAL 34 8.936 7.157 -0.326
241 HB VAL 34 HB VAL 34 9.388 4.850 0.064
242 HG11 VAL 34 1HG1 VAL 34 8.304 4.474 2.177
243 HG12 VAL 34 2HG1 VAL 34 8.607 6.203 1.996
244 HG13 VAL 34 3HG1 VAL 34 6.984 5.560 1.740
245 HG21 VAL 34 3HG2 VAL 34 7.605 4.030 -1.511
246 HG22 VAL 34 1HG2 VAL 34 7.781 3.100 -0.023
247 HG23 VAL 34 2HG2 VAL 34 6.449 4.243 -0.197
248 H HIS 35 H HIS 35 6.367 5.847 -2.306
249 HA HIS 35 HA HIS 35 8.230 5.245 -4.474
250 HB2 HIS 35 1HB HIS 35 5.233 4.858 -4.423
251 HB3 HIS 35 2HB HIS 35 6.375 4.165 -5.572
252 HD1 HIS 35 HD1 HIS 35 8.320 2.632 -4.179
253 HD2 HIS 35 HD2 HIS 35 4.518 3.053 -2.560
254 HE1 HIS 35 HE1 HIS 35 8.063 0.723 -2.562
255 H SER 36 H SER 36 7.579 8.003 -3.552
256 HA SER 36 HA SER 36 6.136 9.103 -5.838
257 HB2 SER 36 1HB SER 36 5.989 11.127 -4.629
258 HB3 SER 36 2HB SER 36 5.790 9.869 -3.410
259 HG SER 36 HG SER 36 7.476 11.787 -3.279
260 H GLY 37 H GLY 37 8.532 7.904 -6.542
261 HA2 GLY 37 1HA GLY 37 9.753 9.723 -8.179
262 HA3 GLY 37 2HA GLY 37 10.654 9.834 -6.675
263 H GLU 38 H GLU 38 11.287 8.799 -9.457
264 HA GLU 38 HA GLU 38 11.837 5.991 -8.966
265 HB2 GLU 38 1HB GLU 38 11.140 7.116 -11.219
266 HB3 GLU 38 2HB GLU 38 12.849 7.510 -11.344
267 HG2 GLU 38 1HG GLU 38 13.440 5.177 -11.255
268 HG3 GLU 38 2HG GLU 38 11.756 4.729 -10.985
269 H LYS 39 H LYS 39 13.559 5.418 -7.832
270 HA LYS 39 HA LYS 39 15.979 7.089 -7.992
271 HB2 LYS 39 1HB LYS 39 15.054 7.024 -5.746
272 HB3 LYS 39 2HB LYS 39 15.027 5.265 -5.777
273 HG2 LYS 39 1HG LYS 39 16.936 5.575 -4.599
274 HG3 LYS 39 2HG LYS 39 17.614 5.603 -6.228
275 HD2 LYS 39 1HD LYS 39 18.570 7.477 -5.252
276 HD3 LYS 39 2HD LYS 39 17.177 8.156 -6.098
277 HE2 LYS 39 1HE LYS 39 16.021 8.554 -4.153
278 HE3 LYS 39 2HE LYS 39 16.849 7.271 -3.272
279 HZ1 LYS 39 3HZ LYS 39 17.935 9.936 -3.993
280 HZ2 LYS 39 1HZ LYS 39 18.872 8.685 -3.345
281 HZ3 LYS 39 2HZ LYS 39 17.607 9.349 -2.441
282 HA PRO 40 HA PRO 40 18.016 3.718 -9.975
283 HB2 PRO 40 1HB PRO 40 20.580 4.474 -9.502
284 HB3 PRO 40 2HB PRO 40 19.548 5.272 -10.695
285 HG2 PRO 40 1HG PRO 40 20.208 6.109 -7.898
286 HG3 PRO 40 2HG PRO 40 20.120 7.095 -9.369
287 HD2 PRO 40 1HD PRO 40 18.119 7.017 -7.547
288 HD3 PRO 40 2HD PRO 40 17.822 7.246 -9.282
289 H SER 41 H SER 41 18.173 1.723 -9.186
290 HA SER 41 HA SER 41 20.062 0.961 -7.237
291 HB2 SER 41 1HB SER 41 18.557 0.276 -5.419
292 HB3 SER 41 2HB SER 41 18.472 2.018 -5.683
293 HG SER 41 HG SER 41 16.482 0.305 -5.693
294 H GLY 42 H GLY 42 20.588 -1.074 -7.695
295 HA2 GLY 42 1HA GLY 42 19.459 -3.382 -7.793
296 HA3 GLY 42 2HA GLY 42 18.635 -2.698 -9.187
297 HA PRO 43 HA PRO 43 21.958 -3.632 -11.893
298 HB2 PRO 43 1HB PRO 43 22.624 -1.306 -13.124
299 HB3 PRO 43 2HB PRO 43 21.115 -2.167 -13.449
300 HG2 PRO 43 1HG PRO 43 21.603 0.198 -11.680
301 HG3 PRO 43 2HG PRO 43 20.270 -0.096 -12.812
302 HD2 PRO 43 1HD PRO 43 20.023 -0.472 -10.142
303 HD3 PRO 43 2HD PRO 43 19.144 -1.456 -11.331
304 H SER 44 H SER 44 23.921 -4.228 -11.237
305 HA SER 44 HA SER 44 25.672 -2.199 -10.009
306 HB2 SER 44 1HB SER 44 24.826 -4.327 -8.685
307 HB3 SER 44 2HB SER 44 26.131 -5.121 -9.567
308 HG SER 44 HG SER 44 27.357 -3.128 -8.732
309 H SER 45 H SER 45 27.652 -1.874 -10.855
310 HA SER 45 HA SER 45 28.295 -2.444 -13.437
311 HB2 SER 45 1HB SER 45 29.586 -0.818 -12.252
312 HB3 SER 45 2HB SER 45 30.135 -2.014 -11.078
313 HG SER 45 HG SER 45 31.426 -1.307 -13.168
314 H GLY 46 H GLY 46 29.791 -3.897 -14.455
315 HA2 GLY 46 1HA GLY 46 31.050 -5.885 -14.587
316 HA3 GLY 46 2HA GLY 46 30.473 -6.330 -12.988
Start of MODEL 19
1 H1 GLY 1 1H GLY 1 5.247 -21.991 4.756
2 HA2 GLY 1 1HA GLY 1 4.316 -23.526 3.139
3 HA3 GLY 1 2HA GLY 1 4.751 -24.847 4.214
4 H SER 2 H SER 2 2.229 -23.057 3.089
5 HA SER 2 HA SER 2 0.651 -22.738 5.428
6 HB2 SER 2 1HB SER 2 0.327 -21.548 3.206
7 HB3 SER 2 2HB SER 2 -0.398 -23.042 2.611
8 HG SER 2 HG SER 2 -1.357 -21.217 4.495
9 H SER 3 H SER 3 0.324 -24.518 6.643
10 HA SER 3 HA SER 3 -0.129 -27.112 5.556
11 HB2 SER 3 1HB SER 3 -0.410 -27.838 7.817
12 HB3 SER 3 2HB SER 3 0.846 -26.600 7.839
13 HG SER 3 HG SER 3 -1.643 -26.598 8.987
14 H GLY 4 H GLY 4 -2.232 -24.629 6.964
15 HA2 GLY 4 1HA GLY 4 -4.455 -25.395 5.383
16 HA3 GLY 4 2HA GLY 4 -4.625 -26.050 7.005
17 H SER 5 H SER 5 -6.556 -24.689 7.068
18 HA SER 5 HA SER 5 -7.663 -22.897 7.936
19 HB2 SER 5 1HB SER 5 -5.641 -22.914 9.523
20 HB3 SER 5 2HB SER 5 -5.009 -21.597 8.536
21 HG SER 5 HG SER 5 -7.242 -20.671 8.962
22 H SER 6 H SER 6 -7.620 -22.891 5.322
23 HA SER 6 HA SER 6 -6.491 -20.435 4.272
24 HB2 SER 6 1HB SER 6 -7.530 -21.191 2.127
25 HB3 SER 6 2HB SER 6 -6.434 -22.379 2.831
26 HG SER 6 HG SER 6 -8.087 -23.663 3.294
27 H GLY 7 H GLY 7 -8.182 -19.758 6.266
28 HA2 GLY 7 1HA GLY 7 -10.388 -18.495 4.781
29 HA3 GLY 7 2HA GLY 7 -10.728 -19.333 6.288
30 H THR 8 H THR 8 -8.140 -17.103 5.277
31 HA THR 8 HA THR 8 -8.690 -15.526 7.697
32 HB THR 8 HB THR 8 -6.393 -16.445 7.468
33 HG1 THR 8 HG1 THR 8 -6.122 -13.664 7.187
34 HG21 THR 8 3HG2 THR 8 -6.489 -16.045 4.884
35 HG22 THR 8 1HG2 THR 8 -4.956 -15.899 5.743
36 HG23 THR 8 2HG2 THR 8 -5.862 -14.451 5.305
37 H GLY 9 H GLY 9 -9.080 -13.348 7.595
38 HA2 GLY 9 1HA GLY 9 -9.911 -12.333 5.002
39 HA3 GLY 9 2HA GLY 9 -10.182 -11.566 6.560
40 H GLU 10 H GLU 10 -7.927 -12.012 3.927
41 HA GLU 10 HA GLU 10 -5.813 -10.466 5.009
42 HB2 GLU 10 1HB GLU 10 -5.909 -12.108 2.942
43 HB3 GLU 10 2HB GLU 10 -6.261 -10.628 2.061
44 HG2 GLU 10 1HG GLU 10 -4.191 -9.664 2.660
45 HG3 GLU 10 2HG GLU 10 -3.877 -10.914 3.862
46 H LYS 11 H LYS 11 -5.093 -8.365 4.233
47 HA LYS 11 HA LYS 11 -7.125 -6.412 4.407
48 HB2 LYS 11 1HB LYS 11 -4.188 -6.388 3.895
49 HB3 LYS 11 2HB LYS 11 -5.104 -4.938 3.508
50 HG2 LYS 11 1HG LYS 11 -5.724 -4.590 5.728
51 HG3 LYS 11 2HG LYS 11 -5.332 -6.247 6.192
52 HD2 LYS 11 1HD LYS 11 -3.215 -4.376 5.183
53 HD3 LYS 11 2HD LYS 11 -3.714 -4.361 6.876
54 HE2 LYS 11 1HE LYS 11 -3.120 -6.692 7.109
55 HE3 LYS 11 2HE LYS 11 -2.738 -6.799 5.391
56 HZ1 LYS 11 3HZ LYS 11 -1.215 -5.558 7.560
57 HZ2 LYS 11 1HZ LYS 11 -1.117 -4.853 6.025
58 HZ3 LYS 11 2HZ LYS 11 -0.671 -6.470 6.243
59 HA PRO 12 HA PRO 12 -8.474 -6.056 0.232
60 HB2 PRO 12 1HB PRO 12 -9.396 -3.503 0.289
61 HB3 PRO 12 2HB PRO 12 -10.243 -4.848 1.063
62 HG2 PRO 12 1HG PRO 12 -8.437 -2.794 2.281
63 HG3 PRO 12 2HG PRO 12 -9.976 -3.432 2.889
64 HD2 PRO 12 1HD PRO 12 -7.578 -4.282 3.816
65 HD3 PRO 12 2HD PRO 12 -8.997 -5.344 3.724
66 H TYR 13 H TYR 13 -6.614 -3.295 1.499
67 HA TYR 13 HA TYR 13 -5.675 -2.624 -1.164
68 HB2 TYR 13 1HB TYR 13 -4.792 -1.366 1.432
69 HB3 TYR 13 2HB TYR 13 -4.727 -0.673 -0.185
70 HD1 TYR 13 HD2 TYR 13 -6.764 0.177 -1.256
71 HD2 TYR 13 HD1 TYR 13 -6.827 -1.334 2.721
72 HE1 TYR 13 HE2 TYR 13 -8.951 1.242 -0.892
73 HE2 TYR 13 HE1 TYR 13 -9.015 -0.274 3.095
74 HH TYR 13 HH TYR 13 -10.511 1.772 0.626
75 H ASN 14 H ASN 14 -3.594 -2.828 -1.906
76 HA ASN 14 HA ASN 14 -1.556 -3.968 -0.167
77 HB2 ASN 14 1HB ASN 14 -1.059 -5.766 -1.852
78 HB3 ASN 14 2HB ASN 14 -2.580 -5.977 -0.990
79 HD21 ASN 14 1HD2 ASN 14 -2.733 -7.424 -2.988
80 HD22 ASN 14 2HD2 ASN 14 -3.512 -6.726 -4.362
81 H CYS 15 H CYS 15 0.151 -2.711 -0.463
82 HA CYS 15 HA CYS 15 0.498 -0.983 -2.660
83 HB2 CYS 15 1HB CYS 15 1.480 -0.684 -0.362
84 HB3 CYS 15 2HB CYS 15 2.653 -1.933 -0.767
85 H LYS 16 H LYS 16 0.790 -1.708 -4.668
86 HA LYS 16 HA LYS 16 2.070 -4.179 -5.284
87 HB2 LYS 16 1HB LYS 16 1.838 -3.450 -7.635
88 HB3 LYS 16 2HB LYS 16 0.334 -3.306 -6.735
89 HG2 LYS 16 1HG LYS 16 1.226 -0.839 -6.366
90 HG3 LYS 16 2HG LYS 16 2.084 -1.198 -7.866
91 HD2 LYS 16 1HD LYS 16 -0.835 -1.802 -7.651
92 HD3 LYS 16 2HD LYS 16 -0.307 -0.142 -7.934
93 HE2 LYS 16 1HE LYS 16 0.840 -2.315 -9.617
94 HE3 LYS 16 2HE LYS 16 -0.812 -1.785 -9.934
95 HZ1 LYS 16 3HZ LYS 16 0.261 -0.307 -11.233
96 HZ2 LYS 16 1HZ LYS 16 1.701 -0.378 -10.347
97 HZ3 LYS 16 2HZ LYS 16 0.408 0.558 -9.786
98 H GLU 17 H GLU 17 3.091 -0.824 -5.193
99 HA GLU 17 HA GLU 17 5.403 -0.820 -6.640
100 HB2 GLU 17 1HB GLU 17 4.580 0.554 -4.123
101 HB3 GLU 17 2HB GLU 17 6.259 0.680 -4.627
102 HG2 GLU 17 1HG GLU 17 4.012 1.316 -6.502
103 HG3 GLU 17 2HG GLU 17 4.636 2.509 -5.364
104 H CYS 18 H CYS 18 5.308 -1.532 -3.143
105 HA CYS 18 HA CYS 18 7.845 -2.973 -3.428
106 HB2 CYS 18 1HB CYS 18 7.883 -2.881 -0.926
107 HB3 CYS 18 2HB CYS 18 7.878 -1.300 -1.700
108 H GLY 19 H GLY 19 4.539 -3.373 -2.233
109 HA2 GLY 19 1HA GLY 19 3.455 -5.518 -2.675
110 HA3 GLY 19 2HA GLY 19 4.985 -6.292 -2.293
111 H LYS 20 H LYS 20 3.041 -3.808 -0.638
112 HA LYS 20 HA LYS 20 3.108 -5.515 1.763
113 HB2 LYS 20 1HB LYS 20 3.190 -2.518 1.468
114 HB3 LYS 20 2HB LYS 20 2.771 -3.293 2.991
115 HG2 LYS 20 1HG LYS 20 4.948 -4.459 2.954
116 HG3 LYS 20 2HG LYS 20 5.364 -3.572 1.486
117 HD2 LYS 20 1HD LYS 20 4.877 -1.459 2.850
118 HD3 LYS 20 2HD LYS 20 4.942 -2.512 4.265
119 HE2 LYS 20 1HE LYS 20 7.208 -3.219 3.600
120 HE3 LYS 20 2HE LYS 20 7.136 -2.105 2.234
121 HZ1 LYS 20 3HZ LYS 20 7.983 -0.598 3.606
122 HZ2 LYS 20 1HZ LYS 20 7.747 -1.574 4.968
123 HZ3 LYS 20 2HZ LYS 20 6.497 -0.579 4.414
124 H SER 21 H SER 21 1.274 -4.536 3.356
125 HA SER 21 HA SER 21 -1.214 -4.305 1.806
126 HB2 SER 21 1HB SER 21 -0.792 -6.118 4.195
127 HB3 SER 21 2HB SER 21 -2.324 -5.862 3.360
128 HG SER 21 HG SER 21 -1.198 -6.651 1.440
129 H PHE 22 H PHE 22 -2.929 -3.226 2.855
130 HA PHE 22 HA PHE 22 -2.345 -1.949 5.417
131 HB2 PHE 22 1HB PHE 22 -3.007 -0.448 2.878
132 HB3 PHE 22 2HB PHE 22 -3.078 0.265 4.486
133 HD1 PHE 22 HD2 PHE 22 -0.762 -1.447 2.139
134 HD2 PHE 22 HD1 PHE 22 -1.190 1.233 5.419
135 HE1 PHE 22 HE2 PHE 22 1.631 -0.891 1.994
136 HE2 PHE 22 HE1 PHE 22 1.201 1.793 5.278
137 HZ PHE 22 HZ PHE 22 2.616 0.730 3.565
138 H ARG 23 H ARG 23 -4.167 -1.309 6.577
139 HA ARG 23 HA ARG 23 -6.566 -2.743 5.942
140 HB2 ARG 23 1HB ARG 23 -5.616 -1.059 8.213
141 HB3 ARG 23 2HB ARG 23 -7.346 -1.324 8.042
142 HG2 ARG 23 1HG ARG 23 -5.514 -3.668 7.951
143 HG3 ARG 23 2HG ARG 23 -5.877 -2.916 9.506
144 HD2 ARG 23 1HD ARG 23 -8.105 -3.487 9.414
145 HD3 ARG 23 2HD ARG 23 -8.118 -3.571 7.653
146 HE ARG 23 HE ARG 23 -7.495 -5.772 7.786
147 HH11 ARG 23 1HH1 ARG 23 -6.989 -4.246 10.874
148 HH12 ARG 23 2HH1 ARG 23 -6.634 -5.729 11.696
149 HH21 ARG 23 1HH2 ARG 23 -7.030 -7.732 8.857
150 HH22 ARG 23 2HH2 ARG 23 -6.657 -7.711 10.547
151 H TRP 24 H TRP 24 -5.856 0.718 6.436
152 HA TRP 24 HA TRP 24 -8.335 1.379 5.018
153 HB2 TRP 24 1HB TRP 24 -6.612 2.792 6.995
154 HB3 TRP 24 2HB TRP 24 -7.494 3.776 5.830
155 HD1 TRP 24 HD1 TRP 24 -7.905 2.805 9.195
156 HE1 TRP 24 HE1 TRP 24 -10.373 2.580 9.891
157 HE3 TRP 24 HE3 TRP 24 -10.039 2.567 4.555
158 HZ2 TRP 24 HZ2 TRP 24 -12.891 2.334 8.639
159 HZ3 TRP 24 HZ3 TRP 24 -12.483 2.336 4.391
160 HH2 TRP 24 HH2 TRP 24 -13.878 2.222 6.392
161 H ALA 25 H ALA 25 -8.348 2.922 3.316
162 HA ALA 25 HA ALA 25 -6.298 2.582 1.417
163 HB1 ALA 25 3HB ALA 25 -8.837 4.007 1.580
164 HB2 ALA 25 1HB ALA 25 -7.639 4.820 0.573
165 HB3 ALA 25 2HB ALA 25 -8.099 3.153 0.224
166 H SER 26 H SER 26 -7.296 5.610 3.027
167 HA SER 26 HA SER 26 -5.294 7.266 2.236
168 HB2 SER 26 1HB SER 26 -6.339 7.179 5.074
169 HB3 SER 26 2HB SER 26 -5.682 8.578 4.225
170 HG SER 26 HG SER 26 -7.552 7.883 2.673
171 H CYS 27 H CYS 27 -5.144 4.931 4.894
172 HA CYS 27 HA CYS 27 -2.649 5.586 5.923
173 HB2 CYS 27 1HB CYS 27 -4.206 3.988 6.979
174 HB3 CYS 27 2HB CYS 27 -3.877 2.830 5.696
175 HG CYS 27 HG CYS 27 -2.117 3.521 8.442
176 H LEU 28 H LEU 28 -3.480 3.424 3.243
177 HA LEU 28 HA LEU 28 -0.855 2.513 2.743
178 HB2 LEU 28 1HB LEU 28 -2.409 1.172 1.742
179 HB3 LEU 28 2HB LEU 28 -3.431 2.527 1.268
180 HG LEU 28 HG LEU 28 -1.671 3.059 -0.482
181 HD11 LEU 28 1HD1 LEU 28 -0.207 1.156 0.861
182 HD12 LEU 28 2HD1 LEU 28 0.144 1.793 -0.745
183 HD13 LEU 28 3HD1 LEU 28 -0.770 0.295 -0.571
184 HD21 LEU 28 3HD2 LEU 28 -2.466 0.622 -1.580
185 HD22 LEU 28 1HD2 LEU 28 -3.293 2.174 -1.714
186 HD23 LEU 28 2HD2 LEU 28 -3.736 1.048 -0.431
187 H LEU 29 H LEU 29 -2.737 5.207 1.431
188 HA LEU 29 HA LEU 29 -1.024 6.042 -0.581
189 HB2 LEU 29 1HB LEU 29 -2.879 7.560 1.228
190 HB3 LEU 29 2HB LEU 29 -1.958 8.360 -0.044
191 HG LEU 29 HG LEU 29 -3.891 6.105 -0.555
192 HD11 LEU 29 1HD1 LEU 29 -4.389 8.902 0.030
193 HD12 LEU 29 2HD1 LEU 29 -5.519 7.556 -0.114
194 HD13 LEU 29 3HD1 LEU 29 -4.998 8.427 -1.556
195 HD21 LEU 29 3HD2 LEU 29 -3.586 6.513 -2.799
196 HD22 LEU 29 1HD2 LEU 29 -1.963 6.805 -2.173
197 HD23 LEU 29 2HD2 LEU 29 -3.026 8.165 -2.534
198 H LYS 30 H LYS 30 -1.173 7.393 2.720
199 HA LYS 30 HA LYS 30 0.933 9.087 2.709
200 HB2 LYS 30 1HB LYS 30 0.297 7.126 4.922
201 HB3 LYS 30 2HB LYS 30 1.253 8.592 5.101
202 HG2 LYS 30 1HG LYS 30 -0.822 9.827 4.258
203 HG3 LYS 30 2HG LYS 30 -1.686 8.322 4.584
204 HD2 LYS 30 1HD LYS 30 -1.131 8.411 6.897
205 HD3 LYS 30 2HD LYS 30 0.014 9.729 6.636
206 HE2 LYS 30 1HE LYS 30 -2.919 9.993 6.027
207 HE3 LYS 30 2HE LYS 30 -2.252 10.341 7.621
208 HZ1 LYS 30 3HZ LYS 30 -0.685 11.670 5.735
209 HZ2 LYS 30 1HZ LYS 30 -1.712 12.346 6.898
210 HZ3 LYS 30 2HZ LYS 30 -2.301 11.992 5.352
211 H HIS 31 H HIS 31 1.096 5.589 2.724
212 HA HIS 31 HA HIS 31 3.935 5.497 3.186
213 HB2 HIS 31 1HB HIS 31 2.915 3.561 3.944
214 HB3 HIS 31 2HB HIS 31 1.807 3.485 2.577
215 HD1 HIS 31 HD1 HIS 31 5.522 3.021 3.247
216 HD2 HIS 31 HD2 HIS 31 2.530 1.673 0.699
217 HE1 HIS 31 HE1 HIS 31 6.592 1.231 1.842
218 H GLN 32 H GLN 32 1.787 5.418 0.411
219 HA GLN 32 HA GLN 32 3.526 4.528 -1.557
220 HB2 GLN 32 1HB GLN 32 1.187 6.406 -1.594
221 HB3 GLN 32 2HB GLN 32 2.118 6.122 -3.058
222 HG2 GLN 32 1HG GLN 32 1.620 3.767 -2.970
223 HG3 GLN 32 2HG GLN 32 0.792 3.969 -1.427
224 HE21 GLN 32 1HE2 GLN 32 -0.944 2.896 -2.656
225 HE22 GLN 32 2HE2 GLN 32 -2.017 3.882 -3.584
226 H ARG 33 H ARG 33 3.389 7.592 0.077
227 HA ARG 33 HA ARG 33 4.623 9.341 -1.604
228 HB2 ARG 33 1HB ARG 33 4.955 8.931 1.359
229 HB3 ARG 33 2HB ARG 33 5.777 10.235 0.513
230 HG2 ARG 33 1HG ARG 33 3.525 10.717 1.658
231 HG3 ARG 33 2HG ARG 33 3.804 11.345 0.032
232 HD2 ARG 33 1HD ARG 33 2.630 9.329 -0.861
233 HD3 ARG 33 2HD ARG 33 2.226 8.895 0.799
234 HE ARG 33 HE ARG 33 1.258 11.378 0.649
235 HH11 ARG 33 1HH1 ARG 33 0.970 8.670 -1.520
236 HH12 ARG 33 2HH1 ARG 33 -0.590 9.141 -2.109
237 HH21 ARG 33 1HH2 ARG 33 -0.796 12.008 -0.119
238 HH22 ARG 33 2HH2 ARG 33 -1.593 11.040 -1.312
239 H VAL 34 H VAL 34 6.228 6.892 0.405
240 HA VAL 34 HA VAL 34 8.870 7.493 -0.136
241 HB VAL 34 HB VAL 34 9.418 5.205 0.401
242 HG11 VAL 34 1HG1 VAL 34 7.409 6.686 1.957
243 HG12 VAL 34 2HG1 VAL 34 7.607 4.989 2.397
244 HG13 VAL 34 3HG1 VAL 34 8.994 6.078 2.433
245 HG21 VAL 34 3HG2 VAL 34 7.099 3.827 0.845
246 HG22 VAL 34 1HG2 VAL 34 6.730 4.707 -0.638
247 HG23 VAL 34 2HG2 VAL 34 8.135 3.643 -0.570
248 H HIS 35 H HIS 35 6.517 5.848 -2.140
249 HA HIS 35 HA HIS 35 8.507 5.088 -4.111
250 HB2 HIS 35 1HB HIS 35 5.492 4.847 -4.209
251 HB3 HIS 35 2HB HIS 35 6.627 4.104 -5.332
252 HD1 HIS 35 HD1 HIS 35 8.521 2.559 -3.831
253 HD2 HIS 35 HD2 HIS 35 4.646 3.036 -2.409
254 HE1 HIS 35 HE1 HIS 35 8.156 0.660 -2.222
255 H SER 36 H SER 36 7.969 7.938 -3.461
256 HA SER 36 HA SER 36 6.487 9.264 -5.383
257 HB2 SER 36 1HB SER 36 7.845 11.215 -4.908
258 HB3 SER 36 2HB SER 36 7.577 10.330 -3.407
259 HG SER 36 HG SER 36 9.653 10.161 -3.240
260 H GLY 37 H GLY 37 7.142 10.405 -7.314
261 HA2 GLY 37 1HA GLY 37 9.490 10.263 -8.694
262 HA3 GLY 37 2HA GLY 37 8.709 8.729 -9.048
263 H GLU 38 H GLU 38 8.501 12.209 -9.401
264 HA GLU 38 HA GLU 38 6.080 12.287 -10.852
265 HB2 GLU 38 1HB GLU 38 7.082 14.510 -11.709
266 HB3 GLU 38 2HB GLU 38 6.741 14.349 -9.992
267 HG2 GLU 38 1HG GLU 38 8.942 14.321 -9.409
268 HG3 GLU 38 2HG GLU 38 9.455 13.625 -10.945
269 H LYS 39 H LYS 39 6.086 10.704 -12.439
270 HA LYS 39 HA LYS 39 8.145 10.309 -14.321
271 HB2 LYS 39 1HB LYS 39 5.211 9.624 -14.325
272 HB3 LYS 39 2HB LYS 39 6.264 9.214 -15.673
273 HG2 LYS 39 1HG LYS 39 7.674 7.898 -14.164
274 HG3 LYS 39 2HG LYS 39 6.596 8.296 -12.823
275 HD2 LYS 39 1HD LYS 39 5.820 6.215 -13.473
276 HD3 LYS 39 2HD LYS 39 4.748 7.303 -14.357
277 HE2 LYS 39 1HE LYS 39 7.279 6.320 -15.614
278 HE3 LYS 39 2HE LYS 39 5.844 5.297 -15.591
279 HZ1 LYS 39 3HZ LYS 39 4.995 7.783 -16.438
280 HZ2 LYS 39 1HZ LYS 39 5.164 6.386 -17.379
281 HZ3 LYS 39 2HZ LYS 39 6.437 7.495 -17.275
282 HA PRO 40 HA PRO 40 7.648 13.647 -17.137
283 HB2 PRO 40 1HB PRO 40 8.537 12.477 -19.420
284 HB3 PRO 40 2HB PRO 40 9.613 12.947 -18.099
285 HG2 PRO 40 1HG PRO 40 8.486 10.253 -18.755
286 HG3 PRO 40 2HG PRO 40 10.132 10.686 -18.259
287 HD2 PRO 40 1HD PRO 40 8.317 9.648 -16.538
288 HD3 PRO 40 2HD PRO 40 9.563 10.806 -16.028
289 H SER 41 H SER 41 5.679 10.996 -17.116
290 HA SER 41 HA SER 41 4.391 10.741 -19.482
291 HB2 SER 41 1HB SER 41 3.843 9.819 -17.057
292 HB3 SER 41 2HB SER 41 2.651 11.118 -17.082
293 HG SER 41 HG SER 41 2.271 10.051 -19.341
294 H GLY 42 H GLY 42 2.381 11.670 -20.328
295 HA2 GLY 42 1HA GLY 42 2.548 14.355 -20.899
296 HA3 GLY 42 2HA GLY 42 1.059 13.428 -20.999
297 HA PRO 43 HA PRO 43 -0.631 15.968 -17.845
298 HB2 PRO 43 1HB PRO 43 -2.517 14.288 -16.851
299 HB3 PRO 43 2HB PRO 43 -2.672 15.086 -18.420
300 HG2 PRO 43 1HG PRO 43 -1.790 12.295 -17.793
301 HG3 PRO 43 2HG PRO 43 -2.877 12.863 -19.073
302 HD2 PRO 43 1HD PRO 43 -0.280 12.250 -19.534
303 HD3 PRO 43 2HD PRO 43 -1.137 13.518 -20.435
304 H SER 44 H SER 44 -1.056 16.037 -15.498
305 HA SER 44 HA SER 44 -0.107 14.010 -13.757
306 HB2 SER 44 1HB SER 44 1.925 15.043 -12.941
307 HB3 SER 44 2HB SER 44 2.068 14.823 -14.685
308 HG SER 44 HG SER 44 1.946 16.942 -14.985
309 H SER 45 H SER 45 -0.751 14.375 -11.684
310 HA SER 45 HA SER 45 -1.804 17.050 -11.048
311 HB2 SER 45 1HB SER 45 -3.563 15.259 -11.638
312 HB3 SER 45 2HB SER 45 -3.141 14.526 -10.091
313 HG SER 45 HG SER 45 -4.530 16.856 -10.634
314 H GLY 46 H GLY 46 0.731 16.277 -10.317
315 HA2 GLY 46 1HA GLY 46 2.117 15.840 -8.516
316 HA3 GLY 46 2HA GLY 46 0.982 16.906 -7.700
Start of MODEL 20
1 H1 GLY 1 1H GLY 1 10.130 -27.127 9.280
2 HA2 GLY 1 1HA GLY 1 9.195 -26.348 11.228
3 HA3 GLY 1 2HA GLY 1 10.529 -27.116 12.076
4 H SER 2 H SER 2 9.078 -24.392 12.172
5 HA SER 2 HA SER 2 11.425 -22.884 12.864
6 HB2 SER 2 1HB SER 2 9.664 -21.874 10.618
7 HB3 SER 2 2HB SER 2 11.007 -21.000 11.353
8 HG SER 2 HG SER 2 12.305 -22.051 10.093
9 H SER 3 H SER 3 10.777 -22.299 14.834
10 HA SER 3 HA SER 3 8.056 -21.771 15.503
11 HB2 SER 3 1HB SER 3 10.669 -21.680 16.938
12 HB3 SER 3 2HB SER 3 9.314 -20.796 17.639
13 HG SER 3 HG SER 3 9.090 -23.496 16.831
14 H GLY 4 H GLY 4 6.946 -19.927 15.395
15 HA2 GLY 4 1HA GLY 4 7.081 -17.477 15.949
16 HA3 GLY 4 2HA GLY 4 8.463 -17.447 14.863
17 H SER 5 H SER 5 5.031 -18.401 14.892
18 HA SER 5 HA SER 5 4.588 -18.430 12.164
19 HB2 SER 5 1HB SER 5 2.208 -17.981 12.710
20 HB3 SER 5 2HB SER 5 2.915 -19.218 13.749
21 HG SER 5 HG SER 5 2.901 -16.514 14.539
22 H SER 6 H SER 6 3.017 -16.781 11.073
23 HA SER 6 HA SER 6 4.183 -14.099 11.440
24 HB2 SER 6 1HB SER 6 4.868 -14.931 9.311
25 HB3 SER 6 2HB SER 6 3.246 -15.516 8.941
26 HG SER 6 HG SER 6 4.183 -12.853 9.040
27 H GLY 7 H GLY 7 1.238 -15.740 10.270
28 HA2 GLY 7 1HA GLY 7 -0.932 -14.932 10.116
29 HA3 GLY 7 2HA GLY 7 -0.657 -14.643 11.828
30 H THR 8 H THR 8 -0.705 -13.207 8.641
31 HA THR 8 HA THR 8 -0.467 -10.534 9.841
32 HB THR 8 HB THR 8 1.119 -10.816 8.074
33 HG1 THR 8 HG1 THR 8 0.611 -8.970 7.130
34 HG21 THR 8 3HG2 THR 8 0.340 -12.653 6.834
35 HG22 THR 8 1HG2 THR 8 0.232 -11.293 5.718
36 HG23 THR 8 2HG2 THR 8 -1.220 -11.893 6.521
37 H GLY 9 H GLY 9 -2.656 -12.702 8.307
38 HA2 GLY 9 1HA GLY 9 -4.976 -12.494 8.214
39 HA3 GLY 9 2HA GLY 9 -4.818 -10.805 8.674
40 H GLU 10 H GLU 10 -6.455 -10.442 7.022
41 HA GLU 10 HA GLU 10 -5.255 -10.297 4.335
42 HB2 GLU 10 1HB GLU 10 -7.986 -11.168 5.188
43 HB3 GLU 10 2HB GLU 10 -7.790 -10.375 3.631
44 HG2 GLU 10 1HG GLU 10 -6.403 -12.080 2.813
45 HG3 GLU 10 2HG GLU 10 -6.139 -12.749 4.422
46 H LYS 11 H LYS 11 -5.531 -8.421 3.191
47 HA LYS 11 HA LYS 11 -7.101 -6.277 4.441
48 HB2 LYS 11 1HB LYS 11 -4.249 -6.060 3.465
49 HB3 LYS 11 2HB LYS 11 -5.258 -4.681 3.881
50 HG2 LYS 11 1HG LYS 11 -5.195 -5.140 6.134
51 HG3 LYS 11 2HG LYS 11 -4.843 -6.851 5.884
52 HD2 LYS 11 1HD LYS 11 -2.589 -6.415 5.353
53 HD3 LYS 11 2HD LYS 11 -2.892 -4.690 5.133
54 HE2 LYS 11 1HE LYS 11 -3.466 -5.890 7.792
55 HE3 LYS 11 2HE LYS 11 -1.779 -5.649 7.337
56 HZ1 LYS 11 3HZ LYS 11 -2.161 -3.332 7.048
57 HZ2 LYS 11 1HZ LYS 11 -2.792 -3.760 8.558
58 HZ3 LYS 11 2HZ LYS 11 -3.831 -3.508 7.248
59 HA PRO 12 HA PRO 12 -8.632 -5.690 0.353
60 HB2 PRO 12 1HB PRO 12 -9.577 -3.159 0.620
61 HB3 PRO 12 2HB PRO 12 -10.379 -4.564 1.333
62 HG2 PRO 12 1HG PRO 12 -8.547 -2.574 2.617
63 HG3 PRO 12 2HG PRO 12 -10.054 -3.272 3.239
64 HD2 PRO 12 1HD PRO 12 -7.613 -4.152 4.012
65 HD3 PRO 12 2HD PRO 12 -9.023 -5.224 3.903
66 H TYR 13 H TYR 13 -6.492 -3.273 1.781
67 HA TYR 13 HA TYR 13 -5.709 -2.374 -0.900
68 HB2 TYR 13 1HB TYR 13 -4.915 -1.147 1.742
69 HB3 TYR 13 2HB TYR 13 -4.777 -0.429 0.141
70 HD1 TYR 13 HD2 TYR 13 -6.781 0.395 -1.027
71 HD2 TYR 13 HD1 TYR 13 -6.996 -1.122 2.942
72 HE1 TYR 13 HE2 TYR 13 -8.991 1.440 -0.754
73 HE2 TYR 13 HE1 TYR 13 -9.207 -0.083 3.226
74 HH TYR 13 HH TYR 13 -10.727 1.287 2.333
75 H ASN 14 H ASN 14 -3.749 -2.791 -1.731
76 HA ASN 14 HA ASN 14 -1.590 -3.702 0.004
77 HB2 ASN 14 1HB ASN 14 -1.145 -5.671 -1.435
78 HB3 ASN 14 2HB ASN 14 -2.697 -5.779 -0.609
79 HD21 ASN 14 1HD2 ASN 14 -1.178 -6.234 -3.474
80 HD22 ASN 14 2HD2 ASN 14 -2.531 -6.133 -4.543
81 H CYS 15 H CYS 15 0.158 -2.588 -0.527
82 HA CYS 15 HA CYS 15 0.340 -1.004 -2.860
83 HB2 CYS 15 1HB CYS 15 1.489 -0.459 -0.736
84 HB3 CYS 15 2HB CYS 15 2.551 -1.844 -0.973
85 H LYS 16 H LYS 16 1.312 -1.328 -4.790
86 HA LYS 16 HA LYS 16 2.204 -4.052 -5.372
87 HB2 LYS 16 1HB LYS 16 0.443 -2.937 -6.777
88 HB3 LYS 16 2HB LYS 16 1.673 -1.799 -7.314
89 HG2 LYS 16 1HG LYS 16 1.575 -3.382 -9.015
90 HG3 LYS 16 2HG LYS 16 2.988 -3.859 -8.069
91 HD2 LYS 16 1HD LYS 16 1.969 -5.892 -8.266
92 HD3 LYS 16 2HD LYS 16 1.179 -5.319 -6.795
93 HE2 LYS 16 1HE LYS 16 -0.013 -4.746 -9.480
94 HE3 LYS 16 2HE LYS 16 -0.257 -6.315 -8.714
95 HZ1 LYS 16 3HZ LYS 16 -1.000 -4.938 -6.706
96 HZ2 LYS 16 1HZ LYS 16 -2.063 -5.069 -8.015
97 HZ3 LYS 16 2HZ LYS 16 -1.157 -3.657 -7.801
98 H GLU 17 H GLU 17 3.365 -0.778 -5.186
99 HA GLU 17 HA GLU 17 5.668 -0.876 -6.705
100 HB2 GLU 17 1HB GLU 17 4.965 0.574 -4.174
101 HB3 GLU 17 2HB GLU 17 6.584 0.706 -4.848
102 HG2 GLU 17 1HG GLU 17 3.985 1.597 -6.039
103 HG3 GLU 17 2HG GLU 17 5.420 2.553 -5.678
104 H CYS 18 H CYS 18 5.479 -1.526 -3.200
105 HA CYS 18 HA CYS 18 7.983 -3.041 -3.413
106 HB2 CYS 18 1HB CYS 18 8.035 -2.855 -0.927
107 HB3 CYS 18 2HB CYS 18 8.050 -1.296 -1.746
108 H GLY 19 H GLY 19 4.659 -3.275 -2.227
109 HA2 GLY 19 1HA GLY 19 3.488 -5.383 -2.589
110 HA3 GLY 19 2HA GLY 19 4.989 -6.209 -2.197
111 H LYS 20 H LYS 20 3.151 -3.608 -0.600
112 HA LYS 20 HA LYS 20 3.275 -5.187 1.880
113 HB2 LYS 20 1HB LYS 20 3.388 -2.269 1.303
114 HB3 LYS 20 2HB LYS 20 2.612 -2.771 2.799
115 HG2 LYS 20 1HG LYS 20 4.690 -4.060 3.339
116 HG3 LYS 20 2HG LYS 20 5.445 -3.295 1.938
117 HD2 LYS 20 1HD LYS 20 6.076 -1.971 3.779
118 HD3 LYS 20 2HD LYS 20 4.776 -1.074 2.991
119 HE2 LYS 20 1HE LYS 20 4.352 -1.000 5.326
120 HE3 LYS 20 2HE LYS 20 3.193 -2.132 4.631
121 HZ1 LYS 20 3HZ LYS 20 5.606 -2.733 6.230
122 HZ2 LYS 20 1HZ LYS 20 4.861 -3.912 5.272
123 HZ3 LYS 20 2HZ LYS 20 4.003 -3.182 6.534
124 H SER 21 H SER 21 1.383 -4.263 3.426
125 HA SER 21 HA SER 21 -1.125 -4.302 1.894
126 HB2 SER 21 1HB SER 21 -2.108 -5.874 3.487
127 HB3 SER 21 2HB SER 21 -0.672 -6.580 2.747
128 HG SER 21 HG SER 21 -0.618 -5.232 5.237
129 H PHE 22 H PHE 22 -2.944 -3.381 2.979
130 HA PHE 22 HA PHE 22 -2.488 -1.967 5.471
131 HB2 PHE 22 1HB PHE 22 -3.111 -0.498 2.901
132 HB3 PHE 22 2HB PHE 22 -3.173 0.220 4.507
133 HD1 PHE 22 HD1 PHE 22 -1.127 0.632 5.766
134 HD2 PHE 22 HD2 PHE 22 -1.023 -0.939 1.812
135 HE1 PHE 22 HE1 PHE 22 1.264 1.192 5.611
136 HE2 PHE 22 HE2 PHE 22 1.368 -0.382 1.650
137 HZ PHE 22 HZ PHE 22 2.515 0.684 3.551
138 H ARG 23 H ARG 23 -4.343 -1.595 6.602
139 HA ARG 23 HA ARG 23 -6.688 -2.994 5.773
140 HB2 ARG 23 1HB ARG 23 -5.920 -1.367 8.166
141 HB3 ARG 23 2HB ARG 23 -7.610 -1.779 7.909
142 HG2 ARG 23 1HG ARG 23 -7.279 -3.997 8.316
143 HG3 ARG 23 2HG ARG 23 -5.604 -3.961 7.761
144 HD2 ARG 23 1HD ARG 23 -5.674 -4.298 10.157
145 HD3 ARG 23 2HD ARG 23 -4.980 -2.719 9.791
146 HE ARG 23 HE ARG 23 -6.794 -1.713 10.791
147 HH11 ARG 23 1HH1 ARG 23 -7.397 -5.119 10.394
148 HH12 ARG 23 2HH1 ARG 23 -8.819 -5.115 11.384
149 HH21 ARG 23 1HH2 ARG 23 -8.664 -1.696 12.097
150 HH22 ARG 23 2HH2 ARG 23 -9.539 -3.168 12.351
151 H TRP 24 H TRP 24 -6.035 0.448 6.432
152 HA TRP 24 HA TRP 24 -8.524 1.167 5.086
153 HB2 TRP 24 1HB TRP 24 -6.536 2.801 6.673
154 HB3 TRP 24 2HB TRP 24 -7.956 3.483 5.883
155 HD1 TRP 24 HD1 TRP 24 -6.905 2.299 9.144
156 HE1 TRP 24 HE1 TRP 24 -8.920 1.719 10.637
157 HE3 TRP 24 HE3 TRP 24 -10.555 2.169 5.567
158 HZ2 TRP 24 HZ2 TRP 24 -11.690 1.265 10.338
159 HZ3 TRP 24 HZ3 TRP 24 -12.861 1.654 6.253
160 HH2 TRP 24 HH2 TRP 24 -13.415 1.211 8.590
161 H ALA 25 H ALA 25 -8.319 3.284 3.737
162 HA ALA 25 HA ALA 25 -6.544 2.676 1.551
163 HB1 ALA 25 3HB ALA 25 -8.763 4.617 2.002
164 HB2 ALA 25 1HB ALA 25 -7.645 4.877 0.664
165 HB3 ALA 25 2HB ALA 25 -8.581 3.384 0.754
166 H SER 26 H SER 26 -7.141 5.718 3.323
167 HA SER 26 HA SER 26 -5.110 7.264 2.511
168 HB2 SER 26 1HB SER 26 -5.003 8.224 4.822
169 HB3 SER 26 2HB SER 26 -6.645 8.045 4.206
170 HG SER 26 HG SER 26 -6.626 7.242 6.272
171 H CYS 27 H CYS 27 -4.733 5.043 5.280
172 HA CYS 27 HA CYS 27 -2.134 5.288 5.890
173 HB2 CYS 27 1HB CYS 27 -3.658 2.700 5.554
174 HB3 CYS 27 2HB CYS 27 -2.092 2.815 6.347
175 HG CYS 27 HG CYS 27 -3.310 4.851 8.156
176 H LEU 28 H LEU 28 -3.334 3.317 3.185
177 HA LEU 28 HA LEU 28 -0.794 2.494 2.273
178 HB2 LEU 28 1HB LEU 28 -2.594 1.222 1.518
179 HB3 LEU 28 2HB LEU 28 -3.513 2.645 1.029
180 HG LEU 28 HG LEU 28 -1.978 2.967 -0.864
181 HD11 LEU 28 1HD1 LEU 28 -0.496 0.874 0.535
182 HD12 LEU 28 2HD1 LEU 28 0.062 2.087 -0.617
183 HD13 LEU 28 3HD1 LEU 28 -0.672 0.593 -1.197
184 HD21 LEU 28 3HD2 LEU 28 -4.058 1.601 -1.046
185 HD22 LEU 28 1HD2 LEU 28 -3.072 0.160 -0.797
186 HD23 LEU 28 2HD2 LEU 28 -2.807 1.175 -2.214
187 H LEU 29 H LEU 29 -2.919 5.153 1.260
188 HA LEU 29 HA LEU 29 -1.464 6.145 -0.862
189 HB2 LEU 29 1HB LEU 29 -3.717 6.899 0.286
190 HB3 LEU 29 2HB LEU 29 -2.659 8.074 1.064
191 HG LEU 29 HG LEU 29 -2.876 7.764 -1.925
192 HD11 LEU 29 1HD1 LEU 29 -4.760 8.933 -1.948
193 HD12 LEU 29 2HD1 LEU 29 -4.075 10.156 -0.878
194 HD13 LEU 29 3HD1 LEU 29 -4.854 8.727 -0.198
195 HD21 LEU 29 3HD2 LEU 29 -0.894 8.878 -1.503
196 HD22 LEU 29 1HD2 LEU 29 -1.528 9.677 -0.064
197 HD23 LEU 29 2HD2 LEU 29 -2.040 10.209 -1.666
198 H LYS 30 H LYS 30 -1.220 7.219 2.532
199 HA LYS 30 HA LYS 30 0.902 8.976 2.231
200 HB2 LYS 30 1HB LYS 30 -0.573 8.469 4.297
201 HB3 LYS 30 2HB LYS 30 0.625 7.236 4.666
202 HG2 LYS 30 1HG LYS 30 1.477 10.052 4.149
203 HG3 LYS 30 2HG LYS 30 0.842 9.582 5.727
204 HD2 LYS 30 1HD LYS 30 3.085 8.100 4.375
205 HD3 LYS 30 2HD LYS 30 3.363 9.480 5.440
206 HE2 LYS 30 1HE LYS 30 1.904 6.951 6.199
207 HE3 LYS 30 2HE LYS 30 3.576 7.326 6.614
208 HZ1 LYS 30 3HZ LYS 30 2.349 9.487 7.545
209 HZ2 LYS 30 1HZ LYS 30 2.613 8.101 8.478
210 HZ3 LYS 30 2HZ LYS 30 1.108 8.356 7.749
211 H HIS 31 H HIS 31 0.956 5.485 2.812
212 HA HIS 31 HA HIS 31 3.705 5.170 3.181
213 HB2 HIS 31 1HB HIS 31 2.449 3.280 3.706
214 HB3 HIS 31 2HB HIS 31 1.522 3.358 2.211
215 HD1 HIS 31 HD1 HIS 31 5.126 2.682 3.240
216 HD2 HIS 31 HD2 HIS 31 2.332 1.542 0.384
217 HE1 HIS 31 HE1 HIS 31 6.249 0.890 1.878
218 H GLN 32 H GLN 32 1.777 5.173 0.211
219 HA GLN 32 HA GLN 32 3.734 4.433 -1.607
220 HB2 GLN 32 1HB GLN 32 1.433 6.362 -1.938
221 HB3 GLN 32 2HB GLN 32 2.405 5.758 -3.272
222 HG2 GLN 32 1HG GLN 32 1.744 3.430 -2.483
223 HG3 GLN 32 2HG GLN 32 0.532 4.241 -1.492
224 HE21 GLN 32 1HE2 GLN 32 -1.367 3.979 -2.418
225 HE22 GLN 32 2HE2 GLN 32 -1.719 4.198 -4.095
226 H ARG 33 H ARG 33 3.368 7.380 0.155
227 HA ARG 33 HA ARG 33 4.616 9.268 -1.382
228 HB2 ARG 33 1HB ARG 33 4.969 8.803 1.584
229 HB3 ARG 33 2HB ARG 33 5.410 10.280 0.739
230 HG2 ARG 33 1HG ARG 33 2.613 9.200 0.693
231 HG3 ARG 33 2HG ARG 33 3.194 10.259 1.979
232 HD2 ARG 33 1HD ARG 33 3.987 11.706 -0.102
233 HD3 ARG 33 2HD ARG 33 2.658 10.848 -0.881
234 HE ARG 33 HE ARG 33 1.504 11.754 1.365
235 HH11 ARG 33 1HH1 ARG 33 3.477 13.321 -1.038
236 HH12 ARG 33 2HH1 ARG 33 2.731 14.870 -0.829
237 HH21 ARG 33 1HH2 ARG 33 0.513 13.789 1.649
238 HH22 ARG 33 2HH2 ARG 33 1.046 15.136 0.701
239 H VAL 34 H VAL 34 6.059 6.545 0.270
240 HA VAL 34 HA VAL 34 8.754 7.341 0.145
241 HB VAL 34 HB VAL 34 9.308 4.966 0.404
242 HG11 VAL 34 1HG1 VAL 34 7.130 6.148 2.086
243 HG12 VAL 34 2HG1 VAL 34 7.793 4.554 2.455
244 HG13 VAL 34 3HG1 VAL 34 8.847 5.970 2.449
245 HG21 VAL 34 3HG2 VAL 34 7.907 3.677 -0.858
246 HG22 VAL 34 1HG2 VAL 34 7.131 3.493 0.715
247 HG23 VAL 34 2HG2 VAL 34 6.482 4.638 -0.460
248 H HIS 35 H HIS 35 6.688 5.635 -2.154
249 HA HIS 35 HA HIS 35 8.861 5.276 -4.035
250 HB2 HIS 35 1HB HIS 35 5.931 4.800 -4.566
251 HB3 HIS 35 2HB HIS 35 7.314 4.070 -5.376
252 HD1 HIS 35 HD1 HIS 35 8.907 2.722 -3.393
253 HD2 HIS 35 HD2 HIS 35 4.789 3.005 -2.920
254 HE1 HIS 35 HE1 HIS 35 8.284 0.875 -1.804
255 H SER 36 H SER 36 6.161 7.434 -3.526
256 HA SER 36 HA SER 36 5.765 8.603 -5.952
257 HB2 SER 36 1HB SER 36 4.894 10.459 -4.828
258 HB3 SER 36 2HB SER 36 4.774 9.185 -3.615
259 HG SER 36 HG SER 36 5.925 11.457 -3.284
260 H GLY 37 H GLY 37 8.421 9.274 -3.702
261 HA2 GLY 37 1HA GLY 37 9.645 11.043 -5.701
262 HA3 GLY 37 2HA GLY 37 10.111 10.926 -4.011
263 H GLU 38 H GLU 38 11.433 10.536 -6.810
264 HA GLU 38 HA GLU 38 12.892 8.099 -6.035
265 HB2 GLU 38 1HB GLU 38 11.489 7.585 -7.958
266 HB3 GLU 38 2HB GLU 38 12.139 8.967 -8.830
267 HG2 GLU 38 1HG GLU 38 13.142 6.914 -9.617
268 HG3 GLU 38 2HG GLU 38 14.349 7.930 -8.831
269 H LYS 39 H LYS 39 14.800 8.799 -5.320
270 HA LYS 39 HA LYS 39 16.198 10.872 -6.880
271 HB2 LYS 39 1HB LYS 39 16.293 10.226 -3.936
272 HB3 LYS 39 2HB LYS 39 17.502 11.232 -4.722
273 HG2 LYS 39 1HG LYS 39 16.095 12.849 -3.974
274 HG3 LYS 39 2HG LYS 39 15.363 12.540 -5.551
275 HD2 LYS 39 1HD LYS 39 13.625 11.268 -4.616
276 HD3 LYS 39 2HD LYS 39 14.477 11.075 -3.082
277 HE2 LYS 39 1HE LYS 39 13.979 13.221 -2.385
278 HE3 LYS 39 2HE LYS 39 13.731 13.808 -4.029
279 HZ1 LYS 39 3HZ LYS 39 11.820 12.843 -2.211
280 HZ2 LYS 39 1HZ LYS 39 11.844 11.816 -3.556
281 HZ3 LYS 39 2HZ LYS 39 11.575 13.472 -3.762
282 HA PRO 40 HA PRO 40 19.435 8.052 -7.797
283 HB2 PRO 40 1HB PRO 40 21.600 9.689 -7.768
284 HB3 PRO 40 2HB PRO 40 20.385 9.727 -9.050
285 HG2 PRO 40 1HG PRO 40 20.683 11.518 -6.670
286 HG3 PRO 40 2HG PRO 40 20.303 11.943 -8.349
287 HD2 PRO 40 1HD PRO 40 18.406 11.775 -6.425
288 HD3 PRO 40 2HD PRO 40 18.081 11.374 -8.124
289 H SER 41 H SER 41 19.229 6.842 -5.801
290 HA SER 41 HA SER 41 21.658 6.780 -4.315
291 HB2 SER 41 1HB SER 41 19.258 8.073 -3.112
292 HB3 SER 41 2HB SER 41 20.223 7.018 -2.079
293 HG SER 41 HG SER 41 22.045 8.297 -2.622
294 H GLY 42 H GLY 42 21.398 5.153 -2.402
295 HA2 GLY 42 1HA GLY 42 19.380 3.115 -3.028
296 HA3 GLY 42 2HA GLY 42 21.076 2.659 -3.092
297 HA PRO 43 HA PRO 43 20.247 3.729 1.541
298 HB2 PRO 43 1HB PRO 43 17.697 4.353 2.234
299 HB3 PRO 43 2HB PRO 43 18.879 5.566 1.727
300 HG2 PRO 43 1HG PRO 43 16.699 4.266 0.139
301 HG3 PRO 43 2HG PRO 43 17.194 5.968 0.175
302 HD2 PRO 43 1HD PRO 43 17.940 4.275 -1.802
303 HD3 PRO 43 2HD PRO 43 18.970 5.612 -1.251
304 H SER 44 H SER 44 20.543 1.604 2.035
305 HA SER 44 HA SER 44 20.060 -0.508 2.730
306 HB2 SER 44 1HB SER 44 18.539 0.620 4.291
307 HB3 SER 44 2HB SER 44 17.268 0.616 3.069
308 HG SER 44 HG SER 44 16.844 -1.161 4.230
309 H SER 45 H SER 45 20.112 -0.090 -0.013
310 HA SER 45 HA SER 45 17.874 -1.676 -1.058
311 HB2 SER 45 1HB SER 45 18.320 0.430 -2.231
312 HB3 SER 45 2HB SER 45 19.984 -0.074 -2.527
313 HG SER 45 HG SER 45 18.370 -0.424 -4.266
314 H GLY 46 H GLY 46 21.427 -1.514 -1.133
315 HA2 GLY 46 1HA GLY 46 22.156 -4.020 -0.633
316 HA3 GLY 46 2HA GLY 46 21.558 -4.193 -2.276