Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
26241 | 2kgi RC | 16210 | cing | 1-original | 5 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 HA SER 1 HA SER 1 -6.127 -9.845 -3.511
2 HB2 SER 1 2HB SER 1 -6.697 -6.986 -2.645
3 HB3 SER 1 1HB SER 1 -5.915 -7.496 -4.137
4 HG SER 1 HG SER 1 -8.146 -8.809 -4.079
5 H VAL 2 H VAL 2 -3.958 -9.982 -3.450
6 HA VAL 2 HA VAL 2 -2.627 -9.117 -0.998
7 HB VAL 2 HB VAL 2 -1.668 -11.120 -3.073
8 HG11 VAL 2 1HG1 VAL 2 -0.649 -10.552 -0.286
9 HG12 VAL 2 2HG1 VAL 2 0.141 -10.122 -1.796
10 HG13 VAL 2 3HG1 VAL 2 -0.024 -11.813 -1.354
11 HG21 VAL 2 3HG2 VAL 2 -3.680 -11.968 -1.988
12 HG22 VAL 2 1HG2 VAL 2 -2.962 -11.672 -0.413
13 HG23 VAL 2 2HG2 VAL 2 -2.275 -12.896 -1.473
14 H CYS 3 H CYS 3 -0.725 -7.949 -1.263
15 HA CYS 3 HA CYS 3 -0.384 -6.655 -3.891
16 HB2 CYS 3 2HB CYS 3 0.096 -4.694 -2.803
17 HB3 CYS 3 1HB CYS 3 -0.962 -5.427 -1.600
18 H ALA 4 H ALA 4 1.991 -5.811 -3.829
19 HA ALA 4 HA ALA 4 3.571 -8.329 -3.446
20 HB1 ALA 4 1HB ALA 4 4.201 -6.067 -5.239
21 HB2 ALA 4 2HB ALA 4 3.420 -7.594 -5.722
22 HB3 ALA 4 3HB ALA 4 5.111 -7.581 -5.152
23 H ALA 5 H ALA 5 3.606 -6.783 -1.134
24 HA ALA 5 HA ALA 5 6.438 -6.161 -0.998
25 HB1 ALA 5 1HB ALA 5 4.426 -6.194 1.251
26 HB2 ALA 5 2HB ALA 5 4.755 -4.822 0.203
27 HB3 ALA 5 3HB ALA 5 6.023 -5.428 1.277
28 H GLN 6 H GLN 6 8.014 -7.131 0.251
29 HA GLN 6 HA GLN 6 8.436 -9.796 0.289
30 HB2 GLN 6 2HB GLN 6 9.418 -7.935 2.446
31 HB3 GLN 6 1HB GLN 6 10.133 -9.475 1.986
32 HG2 GLN 6 2HG GLN 6 10.684 -8.559 -0.210
33 HG3 GLN 6 1HG GLN 6 9.955 -7.016 0.247
34 HE21 GLN 6 1HE2 GLN 6 11.008 -5.750 1.804
35 HE22 GLN 6 2HE2 GLN 6 12.661 -6.016 2.215
36 H ASN 7 H ASN 7 7.177 -8.112 3.135
37 HA ASN 7 HA ASN 7 6.115 -10.731 4.004
38 HB2 ASN 7 2HB ASN 7 7.943 -9.947 5.537
39 HB3 ASN 7 1HB ASN 7 6.971 -8.540 5.923
40 HD21 ASN 7 1HD2 ASN 7 5.129 -8.795 7.316
41 HD22 ASN 7 2HD2 ASN 7 4.884 -10.230 8.210
42 H CYS 8 H CYS 8 4.287 -10.137 2.687
43 HA CYS 8 HA CYS 8 2.722 -8.079 3.879
44 HB2 CYS 8 2HB CYS 8 2.997 -7.713 1.547
45 HB3 CYS 8 1HB CYS 8 2.586 -9.382 1.167
46 H GLN 9 H GLN 9 0.771 -8.337 4.208
47 HA GLN 9 HA GLN 9 -0.397 -11.045 4.616
48 HB2 GLN 9 2HB GLN 9 -0.998 -8.660 6.375
49 HB3 GLN 9 1HB GLN 9 -1.800 -10.217 6.509
50 HG2 GLN 9 2HG GLN 9 0.404 -11.251 6.984
51 HG3 GLN 9 1HG GLN 9 1.116 -9.633 7.009
52 HE21 GLN 9 1HE2 GLN 9 -0.935 -11.874 8.631
53 HE22 GLN 9 2HE2 GLN 9 -1.046 -11.023 10.126
54 H ARG 10 H ARG 10 -2.648 -11.382 4.098
55 HA ARG 10 HA ARG 10 -3.725 -9.448 2.256
56 HB2 ARG 10 2HB ARG 10 -3.310 -11.855 1.584
57 HB3 ARG 10 1HB ARG 10 -4.451 -12.331 2.816
58 HG2 ARG 10 2HG ARG 10 -6.231 -11.154 1.685
59 HG3 ARG 10 1HG ARG 10 -5.114 -10.623 0.426
60 HD2 ARG 10 2HD ARG 10 -4.625 -13.069 -0.010
61 HD3 ARG 10 1HD ARG 10 -5.953 -13.448 1.087
62 HE ARG 10 HE ARG 10 -7.111 -11.803 -0.674
63 HH11 ARG 10 1HH1 ARG 10 -5.169 -14.732 -1.090
64 HH12 ARG 10 2HH1 ARG 10 -5.803 -15.148 -2.606
65 HH21 ARG 10 1HH2 ARG 10 -8.025 -12.371 -2.856
66 HH22 ARG 10 2HH2 ARG 10 -7.449 -13.778 -3.615
67 HA PRO 11 HA PRO 11 -6.180 -8.805 6.024
68 HB2 PRO 11 2HB PRO 11 -7.053 -6.318 5.438
69 HB3 PRO 11 1HB PRO 11 -5.419 -6.646 6.026
70 HG2 PRO 11 2HG PRO 11 -6.332 -6.115 3.226
71 HG3 PRO 11 1HG PRO 11 -4.876 -5.549 4.051
72 HD2 PRO 11 2HD PRO 11 -4.828 -7.683 2.298
73 HD3 PRO 11 1HD PRO 11 -3.735 -7.467 3.651
74 H CYS 12 H CYS 12 -7.485 -7.616 2.946
75 HA CYS 12 HA CYS 12 -9.452 -7.624 1.959
76 HB2 CYS 12 2HB CYS 12 -9.614 -10.377 3.191
77 HB3 CYS 12 1HB CYS 12 -10.704 -9.786 1.935
78 HG CYS 12 HG CYS 12 -8.908 -9.691 -0.070
79 H LYS 13 H LYS 13 -9.470 -6.703 4.860
80 HA LYS 13 HA LYS 13 -12.184 -7.108 5.710
81 HB2 LYS 13 2HB LYS 13 -10.026 -5.227 6.665
82 HB3 LYS 13 1HB LYS 13 -11.655 -5.196 7.310
83 HG2 LYS 13 2HG LYS 13 -11.400 -7.531 8.045
84 HG3 LYS 13 1HG LYS 13 -9.751 -7.523 7.417
85 HD2 LYS 13 2HD LYS 13 -10.717 -5.513 9.424
86 HD3 LYS 13 1HD LYS 13 -10.031 -7.064 9.938
87 HE2 LYS 13 2HE LYS 13 -8.613 -5.054 8.182
88 HE3 LYS 13 1HE LYS 13 -8.428 -5.123 9.924
89 HZ1 LYS 13 3HZ LYS 13 -7.544 -7.276 9.786
90 HZ2 LYS 13 1HZ LYS 13 -6.664 -6.338 8.727
91 HZ3 LYS 13 2HZ LYS 13 -7.847 -7.482 8.190
92 H ASP 14 H ASP 14 -13.220 -4.672 6.409
93 HA ASP 14 HA ASP 14 -14.615 -3.976 4.168
94 HB2 ASP 14 2HB ASP 14 -14.081 -2.356 6.642
95 HB3 ASP 14 1HB ASP 14 -15.222 -1.864 5.407
96 H LYS 15 H LYS 15 -12.274 -1.705 5.641
97 HA LYS 15 HA LYS 15 -11.588 -1.037 2.912
98 HB2 LYS 15 2HB LYS 15 -12.385 0.865 5.096
99 HB3 LYS 15 1HB LYS 15 -11.496 1.402 3.682
100 HG2 LYS 15 2HG LYS 15 -13.260 0.709 2.203
101 HG3 LYS 15 1HG LYS 15 -14.130 -0.046 3.538
102 HD2 LYS 15 2HD LYS 15 -13.555 2.913 3.349
103 HD3 LYS 15 1HD LYS 15 -15.044 2.149 2.768
104 HE2 LYS 15 2HE LYS 15 -13.996 1.916 5.540
105 HE3 LYS 15 1HE LYS 15 -15.202 3.134 5.082
106 HZ1 LYS 15 3HZ LYS 15 -15.578 0.154 4.871
107 HZ2 LYS 15 1HZ LYS 15 -16.711 1.315 4.500
108 HZ3 LYS 15 2HZ LYS 15 -16.231 1.108 6.078
109 H VAL 16 H VAL 16 -9.605 -1.229 2.553
110 HA VAL 16 HA VAL 16 -7.685 -0.842 4.735
111 HB VAL 16 HB VAL 16 -6.261 -2.685 3.847
112 HG11 VAL 16 1HG1 VAL 16 -9.086 -3.533 4.512
113 HG12 VAL 16 2HG1 VAL 16 -7.785 -3.197 5.659
114 HG13 VAL 16 3HG1 VAL 16 -7.667 -4.576 4.560
115 HG21 VAL 16 3HG2 VAL 16 -6.940 -2.678 1.534
116 HG22 VAL 16 1HG2 VAL 16 -8.575 -3.188 1.954
117 HG23 VAL 16 2HG2 VAL 16 -7.243 -4.301 2.201
118 H ASP 17 H ASP 17 -5.651 -0.009 4.149
119 HA ASP 17 HA ASP 17 -5.860 1.713 1.793
120 HB2 ASP 17 2HB ASP 17 -4.092 2.004 4.227
121 HB3 ASP 17 1HB ASP 17 -4.231 3.171 2.923
122 H TRP 18 H TRP 18 -4.315 2.043 0.448
123 HA TRP 18 HA TRP 18 -2.057 0.081 0.210
124 HB2 TRP 18 2HB TRP 18 -3.719 1.206 -2.007
125 HB3 TRP 18 1HB TRP 18 -2.447 0.029 -2.237
126 HD1 TRP 18 HD TRP 18 -5.728 0.233 -0.299
127 HE1 TRP 18 1HE TRP 18 -6.980 -2.053 -0.541
128 HE3 TRP 18 3HE TRP 18 -2.452 -2.106 -3.184
129 HZ2 TRP 18 2HZ TRP 18 -6.579 -4.466 -1.847
130 HZ3 TRP 18 3HZ TRP 18 -2.879 -4.396 -3.985
131 HH2 TRP 18 HH TRP 18 -4.919 -5.554 -3.352
132 H VAL 19 H VAL 19 -0.160 0.896 -1.223
133 HA VAL 19 HA VAL 19 -0.099 3.784 -1.603
134 HB VAL 19 HB VAL 19 2.332 2.323 -0.986
135 HG11 VAL 19 1HG1 VAL 19 3.086 4.419 0.014
136 HG12 VAL 19 2HG1 VAL 19 1.542 5.116 -0.486
137 HG13 VAL 19 3HG1 VAL 19 2.637 4.454 -1.695
138 HG21 VAL 19 3HG2 VAL 19 2.329 2.617 1.362
139 HG22 VAL 19 1HG2 VAL 19 1.066 1.540 0.809
140 HG23 VAL 19 2HG2 VAL 19 0.644 3.206 1.322
141 H GLN 20 H GLN 20 0.892 4.135 -3.509
142 HA GLN 20 HA GLN 20 2.049 1.817 -4.913
143 HB2 GLN 20 2HB GLN 20 0.261 3.431 -5.968
144 HB3 GLN 20 1HB GLN 20 1.619 4.483 -6.090
145 HG2 GLN 20 2HG GLN 20 2.814 3.238 -7.576
146 HG3 GLN 20 1HG GLN 20 1.949 1.755 -7.185
147 HE21 GLN 20 1HE2 GLN 20 1.603 1.339 -9.343
148 HE22 GLN 20 2HE2 GLN 20 0.447 2.220 -10.261
149 H CYS 21 H CYS 21 4.213 1.735 -5.545
150 HA CYS 21 HA CYS 21 5.962 3.556 -4.215
151 HB2 CYS 21 2HB CYS 21 6.246 1.009 -4.614
152 HB3 CYS 21 1HB CYS 21 6.534 1.489 -6.252
153 H ASP 22 H ASP 22 7.018 5.171 -5.153
154 HA ASP 22 HA ASP 22 6.582 5.712 -8.026
155 HB2 ASP 22 2HB ASP 22 7.319 7.600 -5.791
156 HB3 ASP 22 1HB ASP 22 7.043 8.078 -7.457
157 H GLY 23 H GLY 23 8.688 4.067 -6.498
158 HA2 GLY 23 2HA GLY 23 11.089 5.554 -7.313
159 HA3 GLY 23 1HA GLY 23 11.050 4.206 -6.180
160 H GLY 24 H GLY 24 9.088 3.558 -8.752
161 HA2 GLY 24 2HA GLY 24 10.115 2.942 -11.014
162 HA3 GLY 24 1HA GLY 24 11.299 2.084 -10.075
163 H CYS 25 H CYS 25 9.513 0.738 -8.261
164 HA CYS 25 HA CYS 25 8.819 -1.343 -10.096
165 HB2 CYS 25 2HB CYS 25 8.171 -2.762 -8.241
166 HB3 CYS 25 1HB CYS 25 9.674 -1.933 -7.845
167 H ASP 26 H ASP 26 7.010 1.292 -9.072
168 HA ASP 26 HA ASP 26 4.771 1.804 -8.814
169 HB2 ASP 26 2HB ASP 26 5.036 0.680 -11.598
170 HB3 ASP 26 1HB ASP 26 3.579 1.467 -11.029
171 H GLU 27 H GLU 27 5.233 -0.787 -7.772
172 HA GLU 27 HA GLU 27 2.679 -2.050 -8.295
173 HB2 GLU 27 2HB GLU 27 5.118 -3.075 -6.833
174 HB3 GLU 27 1HB GLU 27 3.552 -3.908 -6.831
175 HG2 GLU 27 2HG GLU 27 3.630 -4.113 -9.257
176 HG3 GLU 27 1HG GLU 27 5.101 -3.167 -9.283
177 H TRP 28 H TRP 28 1.510 -2.850 -6.409
178 HA TRP 28 HA TRP 28 1.192 -0.520 -4.665
179 HB2 TRP 28 2HB TRP 28 -0.818 -2.649 -5.398
180 HB3 TRP 28 1HB TRP 28 -1.032 -1.423 -4.150
181 HD1 TRP 28 HD TRP 28 -1.096 -1.873 -7.935
182 HE1 TRP 28 1HE TRP 28 -2.029 0.268 -8.987
183 HE3 TRP 28 3HE TRP 28 -1.191 1.093 -3.784
184 HZ2 TRP 28 2HZ TRP 28 -2.703 2.839 -8.178
185 HZ3 TRP 28 3HZ TRP 28 -2.025 3.394 -4.005
186 HH2 TRP 28 HH TRP 28 -2.772 4.245 -6.174
187 H PHE 29 H PHE 29 1.224 -0.658 -2.587
188 HA PHE 29 HA PHE 29 1.587 -3.320 -1.326
189 HB2 PHE 29 2HB PHE 29 2.569 -0.761 -0.128
190 HB3 PHE 29 1HB PHE 29 3.066 -2.390 0.217
191 HD1 PHE 29 2HD PHE 29 4.293 -3.638 -1.816
192 HD2 PHE 29 1HD PHE 29 3.840 0.600 -1.357
193 HE1 PHE 29 2HE PHE 29 6.220 -3.262 -3.268
194 HE2 PHE 29 1HE PHE 29 5.733 0.949 -2.760
195 HZ PHE 29 HZ PHE 29 6.961 -0.972 -3.755
196 H HIS 30 H HIS 30 1.005 -3.202 0.942
197 HA HIS 30 HA HIS 30 -1.328 -1.419 1.430
198 HB2 HIS 30 2HB HIS 30 -0.359 -3.789 3.067
199 HB3 HIS 30 1HB HIS 30 -1.771 -2.834 3.439
200 HD2 HIS 30 2HD HIS 30 -4.073 -3.517 1.950
201 HE1 HIS 30 1HE HIS 30 -2.354 -7.090 0.385
202 HE2 HIS 30 2HE HIS 30 -4.372 -5.568 0.370
203 H GLN 31 H GLN 31 -1.107 0.051 3.163
204 HA GLN 31 HA GLN 31 1.468 1.024 3.431
205 HB2 GLN 31 2HB GLN 31 -0.770 1.653 5.363
206 HB3 GLN 31 1HB GLN 31 0.601 2.679 4.944
207 HG2 GLN 31 2HG GLN 31 -0.445 2.182 2.522
208 HG3 GLN 31 1HG GLN 31 -1.902 2.228 3.503
209 HE21 GLN 31 1HE2 GLN 31 -1.077 4.047 1.449
210 HE22 GLN 31 2HE2 GLN 31 -0.931 5.606 2.162
211 H VAL 32 H VAL 32 -0.265 -1.127 5.627
212 HA VAL 32 HA VAL 32 1.667 -0.985 7.684
213 HB VAL 32 HB VAL 32 0.482 -2.893 8.674
214 HG11 VAL 32 1HG1 VAL 32 -0.357 -0.659 9.088
215 HG12 VAL 32 2HG1 VAL 32 -1.697 -1.800 8.979
216 HG13 VAL 32 3HG1 VAL 32 -1.321 -0.745 7.610
217 HG21 VAL 32 3HG2 VAL 32 -1.191 -2.826 6.166
218 HG22 VAL 32 1HG2 VAL 32 -1.506 -3.835 7.582
219 HG23 VAL 32 2HG2 VAL 32 -0.047 -4.086 6.599
220 H CYS 33 H CYS 33 1.490 -2.967 4.754
221 HA CYS 33 HA CYS 33 3.104 -5.069 5.946
222 HB2 CYS 33 2HB CYS 33 2.783 -6.226 3.710
223 HB3 CYS 33 1HB CYS 33 1.239 -5.752 4.437
224 H VAL 34 H VAL 34 3.679 -2.161 4.063
225 HA VAL 34 HA VAL 34 6.316 -3.134 3.478
226 HB VAL 34 HB VAL 34 4.816 -2.453 1.551
227 HG11 VAL 34 1HG1 VAL 34 4.463 -0.101 1.149
228 HG12 VAL 34 2HG1 VAL 34 5.051 0.226 2.784
229 HG13 VAL 34 3HG1 VAL 34 3.559 -0.691 2.561
230 HG21 VAL 34 3HG2 VAL 34 7.139 -2.487 1.445
231 HG22 VAL 34 1HG2 VAL 34 7.206 -0.829 2.065
232 HG23 VAL 34 2HG2 VAL 34 6.466 -1.134 0.453
233 H GLY 35 H GLY 35 5.061 -1.897 5.994
234 HA2 GLY 35 2HA GLY 35 5.576 -0.394 7.651
235 HA3 GLY 35 1HA GLY 35 7.183 -0.389 6.932
236 H VAL 36 H VAL 36 4.132 0.886 5.645
237 HA VAL 36 HA VAL 36 5.343 3.541 5.393
238 HB VAL 36 HB VAL 36 2.781 2.344 4.253
239 HG11 VAL 36 1HG1 VAL 36 2.536 4.333 2.997
240 HG12 VAL 36 2HG1 VAL 36 3.813 5.135 3.895
241 HG13 VAL 36 3HG1 VAL 36 2.272 4.691 4.711
242 HG21 VAL 36 3HG2 VAL 36 5.422 2.861 3.176
243 HG22 VAL 36 1HG2 VAL 36 4.024 3.549 2.332
244 HG23 VAL 36 2HG2 VAL 36 4.054 1.822 2.611
245 H SER 37 H SER 37 4.428 5.435 6.551
246 HA SER 37 HA SER 37 2.412 4.729 8.393
247 HB2 SER 37 2HB SER 37 4.422 7.001 8.207
248 HB3 SER 37 1HB SER 37 3.278 6.752 9.533
249 HG SER 37 HG SER 37 4.384 4.899 10.105
250 HA PRO 38 HA PRO 38 -0.349 6.641 5.437
251 HB2 PRO 38 2HB PRO 38 -1.674 8.321 7.333
252 HB3 PRO 38 1HB PRO 38 -2.196 6.745 6.736
253 HG2 PRO 38 2HG PRO 38 -0.759 7.434 9.253
254 HG3 PRO 38 1HG PRO 38 -1.888 6.115 8.924
255 HD2 PRO 38 2HD PRO 38 0.741 5.670 9.168
256 HD3 PRO 38 1HD PRO 38 -0.231 4.771 7.980
257 H GLU 39 H GLU 39 0.995 8.820 7.816
258 HA GLU 39 HA GLU 39 0.571 11.241 6.478
259 HB2 GLU 39 2HB GLU 39 2.819 10.593 8.387
260 HB3 GLU 39 1HB GLU 39 2.158 12.178 8.026
261 HG2 GLU 39 2HG GLU 39 0.011 11.483 8.900
262 HG3 GLU 39 1HG GLU 39 0.698 9.918 9.325
263 H MET 40 H MET 40 3.073 8.931 6.302
264 HA MET 40 HA MET 40 5.026 10.638 4.979
265 HB2 MET 40 2HB MET 40 5.067 7.647 5.364
266 HB3 MET 40 1HB MET 40 6.352 8.538 4.575
267 HG2 MET 40 2HG MET 40 5.435 8.878 7.418
268 HG3 MET 40 1HG MET 40 6.911 8.049 6.896
269 HE1 MET 40 3HE MET 40 8.883 9.359 5.522
270 HE2 MET 40 1HE MET 40 8.898 11.114 5.302
271 HE3 MET 40 2HE MET 40 7.713 10.137 4.448
272 H ALA 41 H ALA 41 2.996 7.925 3.903
273 HA ALA 41 HA ALA 41 3.805 8.065 1.183
274 HB1 ALA 41 1HB ALA 41 1.373 6.932 2.436
275 HB2 ALA 41 2HB ALA 41 2.908 6.024 2.083
276 HB3 ALA 41 3HB ALA 41 1.891 6.658 0.784
277 H GLU 42 H GLU 42 1.320 9.810 2.997
278 HA GLU 42 HA GLU 42 0.014 10.621 0.549
279 HB2 GLU 42 2HB GLU 42 -0.438 11.281 3.445
280 HB3 GLU 42 1HB GLU 42 -1.444 11.920 2.136
281 HG2 GLU 42 2HG GLU 42 -2.134 9.619 1.628
282 HG3 GLU 42 1HG GLU 42 -1.091 9.035 2.927
283 H ASN 43 H ASN 43 2.497 11.555 2.555
284 HA ASN 43 HA ASN 43 2.472 14.333 1.608
285 HB2 ASN 43 2HB ASN 43 3.864 13.009 3.797
286 HB3 ASN 43 1HB ASN 43 4.702 14.362 3.066
287 HD21 ASN 43 1HD2 ASN 43 2.021 13.347 4.933
288 HD22 ASN 43 2HD2 ASN 43 1.455 14.919 5.412
289 H GLU 44 H GLU 44 4.761 11.655 1.431
290 HA GLU 44 HA GLU 44 6.114 13.227 -0.638
291 HB2 GLU 44 2HB GLU 44 7.426 11.405 1.378
292 HB3 GLU 44 1HB GLU 44 8.220 12.041 -0.052
293 HG2 GLU 44 2HG GLU 44 7.024 13.669 2.121
294 HG3 GLU 44 1HG GLU 44 8.756 13.267 2.036
295 H ASP 45 H ASP 45 7.276 11.968 -2.169
296 HA ASP 45 HA ASP 45 5.770 9.984 -3.410
297 HB2 ASP 45 2HB ASP 45 8.769 10.345 -3.645
298 HB3 ASP 45 1HB ASP 45 7.652 9.740 -4.868
299 H TYR 46 H TYR 46 5.896 7.725 -3.176
300 HA TYR 46 HA TYR 46 7.660 7.005 -1.007
301 HB2 TYR 46 2HB TYR 46 5.421 6.823 -0.148
302 HB3 TYR 46 1HB TYR 46 4.982 5.713 -1.450
303 HD1 TYR 46 2HD TYR 46 7.807 6.002 1.054
304 HD2 TYR 46 1HD TYR 46 4.958 3.675 -0.883
305 HE1 TYR 46 2HE TYR 46 8.689 4.041 2.260
306 HE2 TYR 46 1HE TYR 46 5.795 1.609 0.270
307 HH TYR 46 HH TYR 46 7.867 1.726 2.935
308 H ILE 47 H ILE 47 8.894 5.905 -1.125
309 HA ILE 47 HA ILE 47 9.336 4.167 -3.451
310 HB ILE 47 HB ILE 47 11.323 6.010 -2.200
311 HG12 ILE 47 2HG1 ILE 47 10.153 5.742 -4.954
312 HG13 ILE 47 1HG1 ILE 47 9.490 6.762 -3.705
313 HG21 ILE 47 1HG2 ILE 47 12.924 5.185 -3.914
314 HG22 ILE 47 2HG2 ILE 47 11.779 3.927 -4.389
315 HG23 ILE 47 3HG2 ILE 47 12.505 3.901 -2.786
316 HD11 ILE 47 3HD1 ILE 47 11.431 8.011 -3.674
317 HD12 ILE 47 1HD1 ILE 47 10.664 7.912 -5.274
318 HD13 ILE 47 2HD1 ILE 47 12.153 6.937 -4.956
319 H CYS 48 H CYS 48 9.214 2.164 -2.851
320 HA CYS 48 HA CYS 48 9.572 1.198 -0.256
321 HB2 CYS 48 2HB CYS 48 9.138 -0.952 -1.099
322 HB3 CYS 48 1HB CYS 48 8.203 0.098 -2.139
323 H ILE 49 H ILE 49 11.224 -0.595 0.336
324 HA ILE 49 HA ILE 49 13.726 0.564 0.131
325 HB ILE 49 HB ILE 49 14.496 -1.218 1.514
326 HG12 ILE 49 2HG1 ILE 49 12.820 -2.566 2.443
327 HG13 ILE 49 1HG1 ILE 49 11.754 -2.401 1.066
328 HG21 ILE 49 1HG2 ILE 49 11.825 -0.141 2.076
329 HG22 ILE 49 2HG2 ILE 49 13.366 0.681 2.426
330 HG23 ILE 49 3HG2 ILE 49 12.881 -0.764 3.353
331 HD11 ILE 49 3HD1 ILE 49 12.939 -4.533 0.784
332 HD12 ILE 49 1HD1 ILE 49 14.483 -3.757 1.164
333 HD13 ILE 49 2HD1 ILE 49 13.671 -3.382 -0.347
334 H ASN 50 H ASN 50 12.161 -1.599 -1.659
335 HA ASN 50 HA ASN 50 14.369 -3.102 -2.802
336 HB2 ASN 50 2HB ASN 50 11.545 -2.788 -3.869
337 HB3 ASN 50 1HB ASN 50 12.739 -3.924 -4.487
338 HD21 ASN 50 1HD2 ASN 50 13.166 -5.802 -3.293
339 HD22 ASN 50 2HD2 ASN 50 12.200 -6.279 -1.955
340 H CYS 51 H CYS 51 12.646 -0.189 -3.608
341 HA CYS 51 HA CYS 51 14.158 0.153 -6.100
342 HB2 CYS 51 2HB CYS 51 11.873 1.768 -4.911
343 HB3 CYS 51 1HB CYS 51 12.626 2.191 -6.435
344 H ALA 52 H ALA 52 14.381 0.829 -2.938
345 HA ALA 52 HA ALA 52 15.707 3.433 -3.108
346 HB1 ALA 52 3HB ALA 52 14.341 2.847 -1.136
347 HB2 ALA 52 1HB ALA 52 15.991 3.309 -0.722
348 HB3 ALA 52 2HB ALA 52 15.526 1.608 -0.713
349 HA ALA 301 HA ALA 301 3.403 8.884 -4.507
350 HB1 ALA 301 2HB ALA 301 2.311 7.779 -1.905
351 HB2 ALA 301 3HB ALA 301 4.005 7.748 -2.423
352 HB3 ALA 301 1HB ALA 301 2.782 6.850 -3.330
353 H ARG 302 H ARG 302 1.675 7.073 -4.786
354 HA ARG 302 HA ARG 302 -0.900 8.383 -5.184
355 HB2 ARG 302 2HB ARG 302 0.501 6.114 -6.618
356 HB3 ARG 302 1HB ARG 302 -1.177 6.544 -6.908
357 HG2 ARG 302 2HG ARG 302 -0.617 8.623 -7.837
358 HG3 ARG 302 1HG ARG 302 1.015 8.567 -7.158
359 HD2 ARG 302 2HD ARG 302 0.035 6.626 -9.252
360 HD3 ARG 302 1HD ARG 302 0.790 8.165 -9.658
361 HE ARG 302 HE ARG 302 2.581 7.092 -7.951
362 HH11 ARG 302 1HH1 ARG 302 1.084 5.733 -10.861
363 HH12 ARG 302 2HH1 ARG 302 2.485 4.835 -11.261
364 HH21 ARG 302 1HH2 ARG 302 4.385 5.858 -8.516
365 HH22 ARG 302 2HH2 ARG 302 4.325 4.847 -9.935
366 H THR 303 H THR 303 -2.349 7.783 -3.687
367 HA THR 303 HA THR 303 -1.982 5.189 -2.389
368 HB THR 303 HB THR 303 -3.277 6.217 -0.485
369 HG1 THR 303 1HG THR 303 -3.496 8.452 -0.418
370 HG21 THR 303 3HG2 THR 303 -0.897 5.945 -0.470
371 HG22 THR 303 1HG2 THR 303 -1.299 7.459 0.369
372 HG23 THR 303 2HG2 THR 303 -0.677 7.492 -1.294
373 H M3L 304 H M3L 304 -4.086 4.349 -1.402
374 HA M3L 304 HA M3L 304 -6.584 5.070 -2.608
375 HB2 M3L 304 1HB M3L 304 -5.721 3.861 -4.546
376 HB3 M3L 304 2HB M3L 304 -6.958 2.884 -3.697
377 HG2 M3L 304 1HG M3L 304 -5.437 1.553 -2.694
378 HG3 M3L 304 2HG M3L 304 -4.079 2.560 -3.255
379 HD2 M3L 304 1HD M3L 304 -4.106 0.645 -4.562
380 HD3 M3L 304 2HD M3L 304 -4.658 1.992 -5.533
381 HE2 M3L 304 1HE M3L 304 -6.981 1.284 -5.235
382 HE3 M3L 304 2HE M3L 304 -6.391 -0.048 -4.251
383 HM11 M3L 304 1HM1 M3L 304 -4.874 -1.857 -5.390
384 HM12 M3L 304 2HM1 M3L 304 -3.895 -0.590 -6.110
385 HM13 M3L 304 3HM1 M3L 304 -4.628 -1.737 -7.109
386 HM21 M3L 304 1HM2 M3L 304 -5.644 0.160 -8.459
387 HM22 M3L 304 2HM2 M3L 304 -4.854 1.275 -7.403
388 HM23 M3L 304 3HM2 M3L 304 -6.536 1.414 -7.654
389 HM31 M3L 304 3HM3 M3L 304 -8.034 -0.522 -6.856
390 HM32 M3L 304 1HM3 M3L 304 -7.422 -1.669 -5.726
391 HM33 M3L 304 2HM3 M3L 304 -7.000 -1.797 -7.385
392 H GLN 305 H GLN 305 -8.276 3.511 -1.991
393 HA GLN 305 HA GLN 305 -7.616 1.806 0.251
394 HB2 GLN 305 2HB GLN 305 -8.213 4.073 1.162
395 HB3 GLN 305 1HB GLN 305 -9.755 3.943 0.342
396 HG2 GLN 305 2HG GLN 305 -10.332 2.018 1.711
397 HG3 GLN 305 1HG GLN 305 -8.755 2.102 2.500
398 HE21 GLN 305 1HE2 GLN 305 -8.312 3.848 3.858
399 HE22 GLN 305 2HE2 GLN 305 -9.580 4.774 4.582
400 H THR 306 H THR 306 -8.481 -0.056 -0.262
401 HA THR 306 HA THR 306 -10.637 -0.162 -2.230
402 HB THR 306 HB THR 306 -10.192 -2.635 -2.198
403 HG1 THR 306 1HG THR 306 -9.373 -2.407 0.025
404 HG21 THR 306 3HG2 THR 306 -7.683 -0.945 -2.621
405 HG22 THR 306 1HG2 THR 306 -8.962 -1.168 -3.817
406 HG23 THR 306 2HG2 THR 306 -7.942 -2.516 -3.282
407 H ALA 307 H ALA 307 -12.708 -0.650 -1.702
408 HA ALA 307 HA ALA 307 -13.219 -1.298 1.096
409 HB1 ALA 307 1HB ALA 307 -15.128 -0.005 -0.885
410 HB2 ALA 307 2HB ALA 307 -14.196 0.829 0.360
411 HB3 ALA 307 3HB ALA 307 -15.426 -0.320 0.829
412 H ARG 308 H ARG 308 -13.743 -3.227 1.518
413 HA ARG 308 HA ARG 308 -14.870 -5.025 -0.519
414 HB2 ARG 308 2HB ARG 308 -13.166 -5.528 1.922
415 HB3 ARG 308 1HB ARG 308 -13.854 -6.786 0.915
416 HG2 ARG 308 2HG ARG 308 -11.957 -4.687 -0.097
417 HG3 ARG 308 1HG ARG 308 -11.469 -6.296 0.463
418 HD2 ARG 308 2HD ARG 308 -13.387 -5.708 -1.783
419 HD3 ARG 308 1HD ARG 308 -11.707 -6.222 -1.969
420 HE ARG 308 HE ARG 308 -12.898 -8.078 -0.334
421 HH11 ARG 308 1HH1 ARG 308 -13.404 -6.977 -3.678
422 HH12 ARG 308 2HH1 ARG 308 -13.990 -8.492 -4.193
423 HH21 ARG 308 1HH2 ARG 308 -13.715 -10.145 -1.101
424 HH22 ARG 308 2HH2 ARG 308 -14.157 -10.277 -2.760
425 H LYS 309 H LYS 309 -16.653 -6.142 -0.042
426 HA LYS 309 HA LYS 309 -18.639 -6.703 0.920
427 HB2 LYS 309 2HB LYS 309 -16.874 -7.015 3.369
428 HB3 LYS 309 1HB LYS 309 -18.462 -7.745 3.152
429 HG2 LYS 309 2HG LYS 309 -15.999 -8.317 1.517
430 HG3 LYS 309 1HG LYS 309 -16.660 -9.333 2.798
431 HD2 LYS 309 2HD LYS 309 -18.708 -9.665 1.465
432 HD3 LYS 309 1HD LYS 309 -18.078 -8.620 0.214
433 HE2 LYS 309 2HE LYS 309 -16.199 -10.154 -0.170
434 HE3 LYS 309 1HE LYS 309 -16.818 -11.212 1.101
435 HZ1 LYS 309 3HZ LYS 309 -18.801 -11.548 -0.229
436 HZ2 LYS 309 1HZ LYS 309 -17.451 -11.981 -1.117
437 HZ3 LYS 309 2HZ LYS 309 -18.247 -10.542 -1.440
Start of MODEL 2
1 HA SER 1 HA SER 1 -7.073 -8.544 -0.287
2 HB2 SER 1 2HB SER 1 -6.692 -10.615 -1.667
3 HB3 SER 1 1HB SER 1 -8.118 -9.695 -2.146
4 HG SER 1 HG SER 1 -6.505 -10.494 -3.815
5 H VAL 2 H VAL 2 -4.675 -9.143 -2.790
6 HA VAL 2 HA VAL 2 -2.591 -8.941 -0.735
7 HB VAL 2 HB VAL 2 -2.432 -10.627 -3.258
8 HG11 VAL 2 1HG1 VAL 2 -0.636 -10.602 -0.836
9 HG12 VAL 2 2HG1 VAL 2 -0.265 -9.974 -2.439
10 HG13 VAL 2 3HG1 VAL 2 -0.512 -11.707 -2.215
11 HG21 VAL 2 3HG2 VAL 2 -3.048 -11.550 -0.455
12 HG22 VAL 2 1HG2 VAL 2 -2.764 -12.612 -1.832
13 HG23 VAL 2 2HG2 VAL 2 -4.169 -11.538 -1.810
14 H CYS 3 H CYS 3 -0.627 -7.827 -1.421
15 HA CYS 3 HA CYS 3 -0.865 -6.338 -3.921
16 HB2 CYS 3 2HB CYS 3 -0.187 -4.416 -2.801
17 HB3 CYS 3 1HB CYS 3 -1.183 -5.180 -1.554
18 H ALA 4 H ALA 4 1.529 -5.478 -4.107
19 HA ALA 4 HA ALA 4 3.127 -8.007 -3.882
20 HB1 ALA 4 1HB ALA 4 3.782 -5.733 -5.689
21 HB2 ALA 4 2HB ALA 4 2.892 -7.196 -6.153
22 HB3 ALA 4 3HB ALA 4 4.595 -7.309 -5.645
23 H ALA 5 H ALA 5 3.172 -6.684 -1.619
24 HA ALA 5 HA ALA 5 6.000 -6.034 -1.359
25 HB1 ALA 5 1HB ALA 5 5.577 -5.411 0.948
26 HB2 ALA 5 2HB ALA 5 4.023 -6.208 0.954
27 HB3 ALA 5 3HB ALA 5 4.269 -4.766 -0.028
28 H GLN 6 H GLN 6 7.511 -7.231 -0.637
29 HA GLN 6 HA GLN 6 7.681 -9.978 -0.602
30 HB2 GLN 6 2HB GLN 6 9.690 -8.613 -0.564
31 HB3 GLN 6 1HB GLN 6 9.392 -8.154 1.104
32 HG2 GLN 6 2HG GLN 6 9.721 -10.457 1.806
33 HG3 GLN 6 1HG GLN 6 9.974 -10.965 0.147
34 HE21 GLN 6 1HE2 GLN 6 11.346 -9.337 2.885
35 HE22 GLN 6 2HE2 GLN 6 12.955 -9.260 2.252
36 H ASN 7 H ASN 7 7.164 -8.132 2.379
37 HA ASN 7 HA ASN 7 6.255 -10.693 3.551
38 HB2 ASN 7 2HB ASN 7 8.216 -9.581 4.647
39 HB3 ASN 7 1HB ASN 7 7.165 -8.253 5.111
40 HD21 ASN 7 1HD2 ASN 7 8.618 -9.955 6.906
41 HD22 ASN 7 2HD2 ASN 7 7.478 -10.787 7.906
42 H CYS 8 H CYS 8 4.259 -10.180 2.329
43 HA CYS 8 HA CYS 8 2.842 -7.998 3.468
44 HB2 CYS 8 2HB CYS 8 2.882 -7.871 1.051
45 HB3 CYS 8 1HB CYS 8 2.363 -9.542 0.929
46 H GLN 9 H GLN 9 0.847 -8.188 3.974
47 HA GLN 9 HA GLN 9 -0.200 -10.816 4.816
48 HB2 GLN 9 2HB GLN 9 -0.689 -8.219 6.316
49 HB3 GLN 9 1HB GLN 9 -1.413 -9.764 6.709
50 HG2 GLN 9 2HG GLN 9 0.829 -10.682 7.157
51 HG3 GLN 9 1HG GLN 9 1.511 -9.085 6.857
52 HE21 GLN 9 1HE2 GLN 9 -0.343 -11.060 9.013
53 HE22 GLN 9 2HE2 GLN 9 -0.362 -9.969 10.346
54 H ARG 10 H ARG 10 -2.299 -11.277 4.338
55 HA ARG 10 HA ARG 10 -3.586 -9.543 2.421
56 HB2 ARG 10 2HB ARG 10 -3.091 -11.850 1.757
57 HB3 ARG 10 1HB ARG 10 -3.970 -12.445 3.154
58 HG2 ARG 10 2HG ARG 10 -6.041 -11.579 2.263
59 HG3 ARG 10 1HG ARG 10 -5.183 -10.930 0.850
60 HD2 ARG 10 2HD ARG 10 -4.494 -13.219 0.276
61 HD3 ARG 10 1HD ARG 10 -5.395 -13.840 1.658
62 HE ARG 10 HE ARG 10 -7.186 -12.397 0.167
63 HH11 ARG 10 1HH1 ARG 10 -5.109 -15.217 -0.422
64 HH12 ARG 10 2HH1 ARG 10 -6.143 -15.916 -1.558
65 HH21 ARG 10 1HH2 ARG 10 -8.644 -13.413 -1.429
66 HH22 ARG 10 2HH2 ARG 10 -8.180 -14.858 -2.141
67 HA PRO 11 HA PRO 11 -6.335 -8.923 5.980
68 HB2 PRO 11 2HB PRO 11 -7.152 -6.427 5.147
69 HB3 PRO 11 1HB PRO 11 -5.795 -6.750 6.227
70 HG2 PRO 11 2HG PRO 11 -5.719 -5.781 3.490
71 HG3 PRO 11 1HG PRO 11 -4.396 -5.992 4.649
72 HD2 PRO 11 2HD PRO 11 -5.093 -7.707 2.372
73 HD3 PRO 11 1HD PRO 11 -3.691 -7.708 3.421
74 H CYS 12 H CYS 12 -7.318 -7.593 2.810
75 HA CYS 12 HA CYS 12 -9.247 -7.645 1.627
76 HB2 CYS 12 2HB CYS 12 -9.684 -10.287 3.056
77 HB3 CYS 12 1HB CYS 12 -10.529 -9.761 1.607
78 HG CYS 12 HG CYS 12 -8.319 -11.723 1.587
79 H LYS 13 H LYS 13 -9.240 -6.350 4.194
80 HA LYS 13 HA LYS 13 -11.699 -6.946 5.507
81 HB2 LYS 13 2HB LYS 13 -9.693 -4.692 5.926
82 HB3 LYS 13 1HB LYS 13 -11.087 -4.945 6.947
83 HG2 LYS 13 2HG LYS 13 -10.339 -7.049 7.580
84 HG3 LYS 13 1HG LYS 13 -8.896 -6.876 6.572
85 HD2 LYS 13 2HD LYS 13 -8.205 -4.935 7.830
86 HD3 LYS 13 1HD LYS 13 -9.694 -4.992 8.791
87 HE2 LYS 13 2HE LYS 13 -7.950 -7.204 8.442
88 HE3 LYS 13 1HE LYS 13 -7.512 -6.067 9.756
89 HZ1 LYS 13 3HZ LYS 13 -9.821 -6.617 10.632
90 HZ2 LYS 13 1HZ LYS 13 -8.793 -7.924 10.667
91 HZ3 LYS 13 2HZ LYS 13 -9.965 -7.821 9.475
92 H ASP 14 H ASP 14 -12.825 -4.535 6.111
93 HA ASP 14 HA ASP 14 -14.593 -4.285 3.932
94 HB2 ASP 14 2HB ASP 14 -14.240 -2.738 6.442
95 HB3 ASP 14 1HB ASP 14 -15.590 -2.544 5.328
96 H LYS 15 H LYS 15 -11.643 -2.796 4.553
97 HA LYS 15 HA LYS 15 -11.465 -1.088 2.464
98 HB2 LYS 15 2HB LYS 15 -12.129 0.184 5.116
99 HB3 LYS 15 1HB LYS 15 -11.047 0.972 3.998
100 HG2 LYS 15 2HG LYS 15 -12.688 1.384 2.421
101 HG3 LYS 15 1HG LYS 15 -13.745 0.114 3.049
102 HD2 LYS 15 2HD LYS 15 -13.080 2.636 4.541
103 HD3 LYS 15 1HD LYS 15 -14.519 2.446 3.543
104 HE2 LYS 15 2HE LYS 15 -13.768 0.622 5.804
105 HE3 LYS 15 1HE LYS 15 -14.940 1.954 5.961
106 HZ1 LYS 15 3HZ LYS 15 -15.158 -0.462 4.205
107 HZ2 LYS 15 1HZ LYS 15 -16.278 0.810 4.288
108 HZ3 LYS 15 2HZ LYS 15 -16.018 -0.159 5.634
109 H VAL 16 H VAL 16 -9.337 -1.253 2.088
110 HA VAL 16 HA VAL 16 -7.557 -1.391 4.393
111 HB VAL 16 HB VAL 16 -6.159 -3.083 3.235
112 HG11 VAL 16 1HG1 VAL 16 -7.637 -5.031 3.551
113 HG12 VAL 16 2HG1 VAL 16 -9.007 -3.933 3.661
114 HG13 VAL 16 3HG1 VAL 16 -7.713 -3.859 4.873
115 HG21 VAL 16 3HG2 VAL 16 -6.793 -2.665 0.919
116 HG22 VAL 16 1HG2 VAL 16 -8.431 -3.228 1.256
117 HG23 VAL 16 2HG2 VAL 16 -7.096 -4.368 1.315
118 H ASP 17 H ASP 17 -5.263 -0.592 3.861
119 HA ASP 17 HA ASP 17 -5.660 1.582 2.042
120 HB2 ASP 17 2HB ASP 17 -3.629 1.158 4.237
121 HB3 ASP 17 1HB ASP 17 -3.957 2.649 3.370
122 H TRP 18 H TRP 18 -4.380 1.883 0.479
123 HA TRP 18 HA TRP 18 -2.145 -0.021 -0.074
124 HB2 TRP 18 2HB TRP 18 -3.923 1.351 -2.039
125 HB3 TRP 18 1HB TRP 18 -2.610 0.276 -2.479
126 HD1 TRP 18 HD TRP 18 -5.959 0.111 -0.581
127 HE1 TRP 18 1HE TRP 18 -7.031 -2.243 -1.104
128 HE3 TRP 18 3HE TRP 18 -2.396 -1.805 -3.478
129 HZ2 TRP 18 2HZ TRP 18 -6.437 -4.481 -2.561
130 HZ3 TRP 18 3HZ TRP 18 -2.651 -4.043 -4.491
131 HH2 TRP 18 HH TRP 18 -4.624 -5.350 -4.068
132 H VAL 19 H VAL 19 -0.330 0.912 -1.436
133 HA VAL 19 HA VAL 19 -0.146 3.831 -1.479
134 HB VAL 19 HB VAL 19 2.183 2.148 -0.995
135 HG11 VAL 19 1HG1 VAL 19 3.115 4.087 0.181
136 HG12 VAL 19 2HG1 VAL 19 1.632 4.950 -0.247
137 HG13 VAL 19 3HG1 VAL 19 2.690 4.326 -1.517
138 HG21 VAL 19 3HG2 VAL 19 0.498 2.953 1.355
139 HG22 VAL 19 1HG2 VAL 19 2.176 2.392 1.415
140 HG23 VAL 19 2HG2 VAL 19 0.954 1.314 0.785
141 H GLN 20 H GLN 20 0.899 4.309 -3.357
142 HA GLN 20 HA GLN 20 2.036 2.019 -4.831
143 HB2 GLN 20 2HB GLN 20 0.319 3.835 -5.851
144 HB3 GLN 20 1HB GLN 20 1.863 4.576 -6.280
145 HG2 GLN 20 2HG GLN 20 2.607 2.468 -7.287
146 HG3 GLN 20 1HG GLN 20 1.028 1.779 -6.935
147 HE21 GLN 20 1HE2 GLN 20 2.308 1.949 -9.378
148 HE22 GLN 20 2HE2 GLN 20 1.347 2.866 -10.439
149 H CYS 21 H CYS 21 4.137 1.940 -5.434
150 HA CYS 21 HA CYS 21 6.010 3.684 -4.094
151 HB2 CYS 21 2HB CYS 21 6.363 1.156 -4.514
152 HB3 CYS 21 1HB CYS 21 6.543 1.581 -6.193
153 H ASP 22 H ASP 22 7.112 5.304 -4.990
154 HA ASP 22 HA ASP 22 6.672 5.932 -7.862
155 HB2 ASP 22 2HB ASP 22 7.594 7.770 -5.621
156 HB3 ASP 22 1HB ASP 22 7.352 8.253 -7.289
157 H GLY 23 H GLY 23 8.882 4.199 -6.224
158 HA2 GLY 23 2HA GLY 23 11.220 5.746 -7.094
159 HA3 GLY 23 1HA GLY 23 11.188 4.518 -5.857
160 H GLY 24 H GLY 24 9.530 3.501 -8.623
161 HA2 GLY 24 2HA GLY 24 11.220 2.820 -10.563
162 HA3 GLY 24 1HA GLY 24 11.945 1.918 -9.263
163 H CYS 25 H CYS 25 9.890 0.646 -8.021
164 HA CYS 25 HA CYS 25 9.224 -1.191 -10.090
165 HB2 CYS 25 2HB CYS 25 8.151 -2.597 -8.402
166 HB3 CYS 25 1HB CYS 25 9.714 -2.054 -7.817
167 H ASP 26 H ASP 26 6.908 0.134 -7.811
168 HA ASP 26 HA ASP 26 5.325 1.964 -8.243
169 HB2 ASP 26 2HB ASP 26 6.035 1.362 -11.125
170 HB3 ASP 26 1HB ASP 26 4.722 2.421 -10.652
171 H GLU 27 H GLU 27 5.051 -0.696 -7.477
172 HA GLU 27 HA GLU 27 2.505 -1.248 -8.697
173 HB2 GLU 27 2HB GLU 27 4.412 -2.938 -7.075
174 HB3 GLU 27 1HB GLU 27 2.788 -3.454 -7.509
175 HG2 GLU 27 2HG GLU 27 3.373 -3.309 -9.867
176 HG3 GLU 27 1HG GLU 27 5.002 -2.808 -9.423
177 H TRP 28 H TRP 28 1.204 -2.393 -6.650
178 HA TRP 28 HA TRP 28 1.137 -0.162 -4.789
179 HB2 TRP 28 2HB TRP 28 -1.000 -2.121 -5.610
180 HB3 TRP 28 1HB TRP 28 -1.122 -0.883 -4.360
181 HD1 TRP 28 HD TRP 28 -0.904 -1.105 -8.268
182 HE1 TRP 28 1HE TRP 28 -1.849 1.030 -9.185
183 HE3 TRP 28 3HE TRP 28 -1.547 1.441 -3.892
184 HZ2 TRP 28 2HZ TRP 28 -2.763 3.446 -8.260
185 HZ3 TRP 28 3HZ TRP 28 -2.499 3.710 -4.033
186 HH2 TRP 28 HH TRP 28 -3.100 4.678 -6.169
187 H PHE 29 H PHE 29 1.170 -0.458 -2.719
188 HA PHE 29 HA PHE 29 1.489 -3.203 -1.567
189 HB2 PHE 29 2HB PHE 29 2.572 -0.764 -0.234
190 HB3 PHE 29 1HB PHE 29 3.026 -2.431 -0.022
191 HD1 PHE 29 2HD PHE 29 4.190 -3.532 -2.138
192 HD2 PHE 29 1HD PHE 29 3.833 0.624 -1.311
193 HE1 PHE 29 2HE PHE 29 6.117 -3.081 -3.575
194 HE2 PHE 29 1HE PHE 29 5.722 1.079 -2.685
195 HZ PHE 29 HZ PHE 29 6.905 -0.773 -3.863
196 H HIS 30 H HIS 30 1.077 -3.134 0.733
197 HA HIS 30 HA HIS 30 -1.207 -1.349 1.442
198 HB2 HIS 30 2HB HIS 30 -0.091 -3.702 2.970
199 HB3 HIS 30 1HB HIS 30 -1.415 -2.721 3.546
200 HD2 HIS 30 2HD HIS 30 -3.899 -3.315 2.293
201 HE1 HIS 30 1HE HIS 30 -2.457 -6.955 0.625
202 HE2 HIS 30 2HE HIS 30 -4.409 -5.356 0.769
203 H GLN 31 H GLN 31 -0.876 0.208 2.999
204 HA GLN 31 HA GLN 31 1.509 1.384 3.452
205 HB2 GLN 31 2HB GLN 31 -0.746 1.259 5.454
206 HB3 GLN 31 1HB GLN 31 0.532 2.476 5.284
207 HG2 GLN 31 2HG GLN 31 -0.692 1.987 2.914
208 HG3 GLN 31 1HG GLN 31 -1.999 2.551 4.027
209 HE21 GLN 31 1HE2 GLN 31 -1.284 3.890 1.725
210 HE22 GLN 31 2HE2 GLN 31 -0.453 5.344 2.120
211 H VAL 32 H VAL 32 -0.117 -0.989 5.719
212 HA VAL 32 HA VAL 32 2.034 -0.796 7.486
213 HB VAL 32 HB VAL 32 1.005 -2.407 8.710
214 HG11 VAL 32 1HG1 VAL 32 0.171 -0.097 8.959
215 HG12 VAL 32 2HG1 VAL 32 -1.205 -1.205 9.171
216 HG13 VAL 32 3HG1 VAL 32 -0.951 -0.388 7.624
217 HG21 VAL 32 3HG2 VAL 32 -1.274 -3.365 8.120
218 HG22 VAL 32 1HG2 VAL 32 0.077 -3.941 7.138
219 HG23 VAL 32 2HG2 VAL 32 -1.008 -2.721 6.494
220 H CYS 33 H CYS 33 1.306 -2.941 4.804
221 HA CYS 33 HA CYS 33 2.827 -5.106 5.950
222 HB2 CYS 33 2HB CYS 33 2.394 -6.330 3.919
223 HB3 CYS 33 1HB CYS 33 0.902 -5.500 4.310
224 H VAL 34 H VAL 34 3.576 -2.299 4.123
225 HA VAL 34 HA VAL 34 6.128 -3.484 3.558
226 HB VAL 34 HB VAL 34 4.809 -2.403 1.630
227 HG11 VAL 34 1HG1 VAL 34 4.690 -0.011 1.452
228 HG12 VAL 34 2HG1 VAL 34 5.187 0.108 3.135
229 HG13 VAL 34 3HG1 VAL 34 3.632 -0.597 2.736
230 HG21 VAL 34 3HG2 VAL 34 7.330 -1.239 2.516
231 HG22 VAL 34 1HG2 VAL 34 6.686 -1.094 0.840
232 HG23 VAL 34 2HG2 VAL 34 7.005 -2.708 1.517
233 H GLY 35 H GLY 35 4.766 -0.523 4.844
234 HA2 GLY 35 2HA GLY 35 4.833 -0.667 7.586
235 HA3 GLY 35 1HA GLY 35 6.528 -0.896 7.177
236 H VAL 36 H VAL 36 4.026 0.951 6.061
237 HA VAL 36 HA VAL 36 5.535 3.505 5.719
238 HB VAL 36 HB VAL 36 2.824 2.592 4.581
239 HG11 VAL 36 1HG1 VAL 36 4.197 5.191 4.047
240 HG12 VAL 36 2HG1 VAL 36 2.625 4.970 4.917
241 HG13 VAL 36 3HG1 VAL 36 2.834 4.454 3.230
242 HG21 VAL 36 3HG2 VAL 36 4.293 1.721 3.106
243 HG22 VAL 36 1HG2 VAL 36 5.446 3.101 3.351
244 HG23 VAL 36 2HG2 VAL 36 3.945 3.405 2.589
245 H SER 37 H SER 37 4.143 5.629 6.503
246 HA SER 37 HA SER 37 2.264 4.914 8.490
247 HB2 SER 37 2HB SER 37 4.332 7.143 8.471
248 HB3 SER 37 1HB SER 37 3.149 6.850 9.736
249 HG SER 37 HG SER 37 4.430 4.593 9.358
250 HA PRO 38 HA PRO 38 -0.474 6.864 5.660
251 HB2 PRO 38 2HB PRO 38 -1.620 8.702 7.505
252 HB3 PRO 38 1HB PRO 38 -2.276 7.136 6.997
253 HG2 PRO 38 2HG PRO 38 -0.705 7.816 9.439
254 HG3 PRO 38 1HG PRO 38 -1.901 6.538 9.183
255 HD2 PRO 38 2HD PRO 38 0.698 5.993 9.350
256 HD3 PRO 38 1HD PRO 38 -0.353 5.112 8.196
257 H GLU 39 H GLU 39 0.881 9.358 7.893
258 HA GLU 39 HA GLU 39 0.492 11.497 6.212
259 HB2 GLU 39 2HB GLU 39 0.917 11.716 8.581
260 HB3 GLU 39 1HB GLU 39 2.514 11.016 8.403
261 HG2 GLU 39 2HG GLU 39 3.232 12.950 7.105
262 HG3 GLU 39 1HG GLU 39 1.619 13.650 7.254
263 H MET 40 H MET 40 3.147 9.198 6.393
264 HA MET 40 HA MET 40 5.020 10.830 4.963
265 HB2 MET 40 2HB MET 40 5.067 7.848 5.443
266 HB3 MET 40 1HB MET 40 6.407 8.800 4.811
267 HG2 MET 40 2HG MET 40 5.162 9.034 7.524
268 HG3 MET 40 1HG MET 40 6.712 8.287 7.149
269 HE1 MET 40 3HE MET 40 8.810 9.624 6.226
270 HE2 MET 40 1HE MET 40 8.872 11.377 6.019
271 HE3 MET 40 2HE MET 40 7.876 10.388 4.958
272 H ALA 41 H ALA 41 3.021 8.033 4.034
273 HA ALA 41 HA ALA 41 3.962 8.064 1.316
274 HB1 ALA 41 1HB ALA 41 2.177 6.477 0.929
275 HB2 ALA 41 2HB ALA 41 1.655 6.775 2.599
276 HB3 ALA 41 3HB ALA 41 3.241 6.029 2.281
277 H GLU 42 H GLU 42 1.205 9.669 2.976
278 HA GLU 42 HA GLU 42 -0.012 9.921 0.398
279 HB2 GLU 42 2HB GLU 42 -0.970 10.779 3.120
280 HB3 GLU 42 1HB GLU 42 -1.872 11.004 1.613
281 HG2 GLU 42 2HG GLU 42 -1.818 8.525 1.355
282 HG3 GLU 42 1HG GLU 42 -1.129 8.423 2.973
283 H ASN 43 H ASN 43 2.071 11.511 2.376
284 HA ASN 43 HA ASN 43 1.371 14.119 1.165
285 HB2 ASN 43 2HB ASN 43 1.812 14.081 3.628
286 HB3 ASN 43 1HB ASN 43 3.485 13.656 3.219
287 HD21 ASN 43 1HD2 ASN 43 4.902 15.269 2.711
288 HD22 ASN 43 2HD2 ASN 43 4.476 16.922 2.553
289 H GLU 44 H GLU 44 4.123 11.911 1.258
290 HA GLU 44 HA GLU 44 5.073 13.336 -1.044
291 HB2 GLU 44 2HB GLU 44 6.746 12.678 1.355
292 HB3 GLU 44 1HB GLU 44 7.457 13.033 -0.216
293 HG2 GLU 44 2HG GLU 44 6.356 15.189 -0.237
294 HG3 GLU 44 1HG GLU 44 5.608 14.839 1.300
295 H ASP 45 H ASP 45 6.699 12.125 -2.369
296 HA ASP 45 HA ASP 45 5.822 9.829 -3.369
297 HB2 ASP 45 2HB ASP 45 8.688 10.763 -3.201
298 HB3 ASP 45 1HB ASP 45 8.043 9.621 -4.361
299 H TYR 46 H TYR 46 5.979 7.752 -2.904
300 HA TYR 46 HA TYR 46 7.791 7.066 -0.730
301 HB2 TYR 46 2HB TYR 46 5.575 6.852 0.144
302 HB3 TYR 46 1HB TYR 46 5.113 5.761 -1.168
303 HD1 TYR 46 2HD TYR 46 7.880 6.022 1.405
304 HD2 TYR 46 1HD TYR 46 5.145 3.691 -0.711
305 HE1 TYR 46 2HE TYR 46 8.719 4.062 2.609
306 HE2 TYR 46 1HE TYR 46 5.963 1.601 0.441
307 HH TYR 46 HH TYR 46 7.999 1.798 3.193
308 H ILE 47 H ILE 47 9.153 6.078 -1.013
309 HA ILE 47 HA ILE 47 9.537 4.258 -3.352
310 HB ILE 47 HB ILE 47 11.713 5.626 -1.694
311 HG12 ILE 47 2HG1 ILE 47 12.412 6.685 -3.876
312 HG13 ILE 47 1HG1 ILE 47 11.019 5.955 -4.639
313 HG21 ILE 47 1HG2 ILE 47 12.474 3.416 -2.238
314 HG22 ILE 47 2HG2 ILE 47 13.366 4.615 -3.167
315 HG23 ILE 47 3HG2 ILE 47 12.093 3.677 -3.939
316 HD11 ILE 47 3HD1 ILE 47 10.954 8.059 -2.485
317 HD12 ILE 47 1HD1 ILE 47 9.556 7.279 -3.253
318 HD13 ILE 47 2HD1 ILE 47 10.650 8.262 -4.226
319 H CYS 48 H CYS 48 9.468 2.164 -2.961
320 HA CYS 48 HA CYS 48 9.337 1.243 -0.240
321 HB2 CYS 48 2HB CYS 48 8.743 -0.855 -1.081
322 HB3 CYS 48 1HB CYS 48 7.982 0.275 -2.187
323 H ILE 49 H ILE 49 10.740 -0.901 0.333
324 HA ILE 49 HA ILE 49 13.325 0.036 0.360
325 HB ILE 49 HB ILE 49 13.819 -1.940 1.627
326 HG12 ILE 49 2HG1 ILE 49 11.809 -3.079 2.353
327 HG13 ILE 49 1HG1 ILE 49 11.042 -2.762 0.816
328 HG21 ILE 49 1HG2 ILE 49 12.213 -1.427 3.442
329 HG22 ILE 49 2HG2 ILE 49 11.251 -0.631 2.166
330 HG23 ILE 49 3HG2 ILE 49 12.807 0.047 2.604
331 HD11 ILE 49 3HD1 ILE 49 13.557 -4.396 1.323
332 HD12 ILE 49 1HD1 ILE 49 13.015 -3.937 -0.291
333 HD13 ILE 49 2HD1 ILE 49 12.019 -5.005 0.701
334 H ASN 50 H ASN 50 11.622 -2.025 -1.587
335 HA ASN 50 HA ASN 50 13.736 -3.512 -2.866
336 HB2 ASN 50 2HB ASN 50 10.956 -2.882 -3.916
337 HB3 ASN 50 1HB ASN 50 12.081 -3.977 -4.692
338 HD21 ASN 50 1HD2 ASN 50 9.386 -4.427 -3.669
339 HD22 ASN 50 2HD2 ASN 50 9.536 -5.690 -2.498
340 H CYS 51 H CYS 51 12.756 -0.289 -3.093
341 HA CYS 51 HA CYS 51 14.192 0.039 -5.643
342 HB2 CYS 51 2HB CYS 51 11.880 1.677 -4.596
343 HB3 CYS 51 1HB CYS 51 12.799 2.079 -6.043
344 H ALA 52 H ALA 52 14.645 0.406 -2.451
345 HA ALA 52 HA ALA 52 15.475 3.053 -2.161
346 HB1 ALA 52 3HB ALA 52 16.674 2.269 -0.199
347 HB2 ALA 52 1HB ALA 52 16.565 0.605 -0.776
348 HB3 ALA 52 2HB ALA 52 15.101 1.463 -0.298
349 HA ALA 301 HA ALA 301 3.340 8.875 -4.398
350 HB1 ALA 301 2HB ALA 301 2.923 6.884 -3.081
351 HB2 ALA 301 3HB ALA 301 2.541 7.863 -1.668
352 HB3 ALA 301 1HB ALA 301 4.185 7.847 -2.310
353 H ARG 302 H ARG 302 1.455 7.036 -4.344
354 HA ARG 302 HA ARG 302 -1.044 8.580 -4.440
355 HB2 ARG 302 2HB ARG 302 0.036 7.928 -6.652
356 HB3 ARG 302 1HB ARG 302 -0.270 6.265 -6.212
357 HG2 ARG 302 2HG ARG 302 -2.657 6.653 -6.237
358 HG3 ARG 302 1HG ARG 302 -2.381 8.372 -6.512
359 HD2 ARG 302 2HD ARG 302 -1.203 7.815 -8.612
360 HD3 ARG 302 1HD ARG 302 -1.630 6.131 -8.366
361 HE ARG 302 HE ARG 302 -4.016 6.957 -8.391
362 HH11 ARG 302 1HH1 ARG 302 -1.454 8.615 -10.197
363 HH12 ARG 302 2HH1 ARG 302 -2.471 9.189 -11.427
364 HH21 ARG 302 1HH2 ARG 302 -5.426 7.718 -10.059
365 HH22 ARG 302 2HH2 ARG 302 -4.813 8.648 -11.345
366 H THR 303 H THR 303 -2.618 7.783 -3.135
367 HA THR 303 HA THR 303 -2.246 5.060 -2.169
368 HB THR 303 HB THR 303 -3.472 5.912 -0.091
369 HG1 THR 303 1HG THR 303 -3.592 8.115 0.199
370 HG21 THR 303 3HG2 THR 303 -1.409 6.700 0.896
371 HG22 THR 303 1HG2 THR 303 -0.766 7.120 -0.708
372 HG23 THR 303 2HG2 THR 303 -1.060 5.441 -0.278
373 H M3L 304 H M3L 304 -4.295 4.054 -1.369
374 HA M3L 304 HA M3L 304 -6.858 4.969 -2.359
375 HB2 M3L 304 1HB M3L 304 -5.959 4.022 -4.474
376 HB3 M3L 304 2HB M3L 304 -7.225 2.971 -3.808
377 HG2 M3L 304 1HG M3L 304 -5.652 1.499 -2.910
378 HG3 M3L 304 2HG M3L 304 -4.329 2.587 -3.374
379 HD2 M3L 304 1HD M3L 304 -4.257 0.878 -4.890
380 HD3 M3L 304 2HD M3L 304 -4.921 2.293 -5.675
381 HE2 M3L 304 1HE M3L 304 -7.151 1.379 -5.579
382 HE3 M3L 304 2HE M3L 304 -6.532 -0.016 -4.675
383 HM11 M3L 304 1HM1 M3L 304 -4.772 -1.577 -5.925
384 HM12 M3L 304 2HM1 M3L 304 -3.884 -0.190 -6.544
385 HM13 M3L 304 3HM1 M3L 304 -4.547 -1.320 -7.621
386 HM21 M3L 304 1HM2 M3L 304 -5.770 2.051 -7.430
387 HM22 M3L 304 2HM2 M3L 304 -6.720 1.092 -8.514
388 HM23 M3L 304 3HM2 M3L 304 -5.013 0.888 -8.472
389 HM31 M3L 304 3HM3 M3L 304 -7.239 -1.011 -8.184
390 HM32 M3L 304 1HM3 M3L 304 -8.046 -0.614 -6.705
391 HM33 M3L 304 2HM3 M3L 304 -6.919 -1.907 -6.731
392 H GLN 305 H GLN 305 -8.496 3.175 -1.947
393 HA GLN 305 HA GLN 305 -7.686 1.227 0.072
394 HB2 GLN 305 2HB GLN 305 -9.997 3.158 0.443
395 HB3 GLN 305 1HB GLN 305 -9.625 1.805 1.501
396 HG2 GLN 305 2HG GLN 305 -7.579 2.819 2.141
397 HG3 GLN 305 1HG GLN 305 -7.807 4.108 0.977
398 HE21 GLN 305 1HE2 GLN 305 -8.484 2.918 4.094
399 HE22 GLN 305 2HE2 GLN 305 -9.462 4.222 4.662
400 H THR 306 H THR 306 -8.422 -0.643 -0.615
401 HA THR 306 HA THR 306 -10.688 -0.651 -2.465
402 HB THR 306 HB THR 306 -10.105 -3.054 -2.866
403 HG1 THR 306 1HG THR 306 -9.243 -3.224 -0.699
404 HG21 THR 306 3HG2 THR 306 -7.611 -1.290 -3.096
405 HG22 THR 306 1HG2 THR 306 -8.962 -1.272 -4.245
406 HG23 THR 306 2HG2 THR 306 -7.963 -2.712 -4.018
407 H ALA 307 H ALA 307 -12.640 -0.793 -1.531
408 HA ALA 307 HA ALA 307 -12.891 -1.978 1.079
409 HB1 ALA 307 1HB ALA 307 -14.070 0.117 0.571
410 HB2 ALA 307 2HB ALA 307 -15.164 -1.184 1.017
411 HB3 ALA 307 3HB ALA 307 -14.996 -0.726 -0.682
412 H ARG 308 H ARG 308 -12.862 -4.114 1.105
413 HA ARG 308 HA ARG 308 -14.142 -5.617 -1.025
414 HB2 ARG 308 2HB ARG 308 -12.671 -6.560 1.427
415 HB3 ARG 308 1HB ARG 308 -13.193 -7.560 0.089
416 HG2 ARG 308 2HG ARG 308 -11.103 -5.378 -0.076
417 HG3 ARG 308 1HG ARG 308 -10.788 -7.111 -0.014
418 HD2 ARG 308 2HD ARG 308 -12.028 -7.384 -2.124
419 HD3 ARG 308 1HD ARG 308 -12.269 -5.633 -2.189
420 HE ARG 308 HE ARG 308 -9.592 -5.919 -1.959
421 HH11 ARG 308 1HH1 ARG 308 -11.960 -7.243 -4.257
422 HH12 ARG 308 2HH1 ARG 308 -10.857 -7.352 -5.545
423 HH21 ARG 308 1HH2 ARG 308 -8.063 -6.112 -3.762
424 HH22 ARG 308 2HH2 ARG 308 -8.642 -6.702 -5.251
425 H LYS 309 H LYS 309 -16.211 -6.129 -0.812
426 HA LYS 309 HA LYS 309 -17.587 -5.814 1.707
427 HB2 LYS 309 2HB LYS 309 -18.599 -6.864 -0.949
428 HB3 LYS 309 1HB LYS 309 -19.587 -6.534 0.473
429 HG2 LYS 309 2HG LYS 309 -18.958 -4.169 0.356
430 HG3 LYS 309 1HG LYS 309 -17.996 -4.507 -1.087
431 HD2 LYS 309 2HD LYS 309 -20.008 -5.218 -2.263
432 HD3 LYS 309 1HD LYS 309 -20.971 -4.949 -0.816
433 HE2 LYS 309 2HE LYS 309 -20.272 -2.552 -0.886
434 HE3 LYS 309 1HE LYS 309 -19.450 -2.889 -2.392
435 HZ1 LYS 309 3HZ LYS 309 -21.655 -1.962 -2.698
436 HZ2 LYS 309 1HZ LYS 309 -22.356 -3.294 -1.960
437 HZ3 LYS 309 2HZ LYS 309 -21.546 -3.485 -3.412
Start of MODEL 3
1 HA SER 1 HA SER 1 -6.942 -8.592 -0.088
2 HB2 SER 1 2HB SER 1 -6.658 -10.961 -0.926
3 HB3 SER 1 1HB SER 1 -8.104 -10.157 -1.528
4 HG SER 1 HG SER 1 -7.302 -10.970 -3.315
5 H VAL 2 H VAL 2 -4.706 -9.342 -2.753
6 HA VAL 2 HA VAL 2 -2.503 -9.123 -0.833
7 HB VAL 2 HB VAL 2 -2.343 -10.480 -3.549
8 HG11 VAL 2 1HG1 VAL 2 -0.187 -9.829 -2.727
9 HG12 VAL 2 2HG1 VAL 2 -0.315 -11.576 -2.621
10 HG13 VAL 2 3HG1 VAL 2 -0.485 -10.585 -1.175
11 HG21 VAL 2 3HG2 VAL 2 -4.005 -11.647 -2.129
12 HG22 VAL 2 1HG2 VAL 2 -2.777 -11.830 -0.888
13 HG23 VAL 2 2HG2 VAL 2 -2.574 -12.648 -2.428
14 H CYS 3 H CYS 3 -0.708 -7.865 -1.393
15 HA CYS 3 HA CYS 3 -0.881 -6.252 -3.851
16 HB2 CYS 3 2HB CYS 3 -0.218 -4.355 -2.670
17 HB3 CYS 3 1HB CYS 3 -1.231 -5.141 -1.450
18 H ALA 4 H ALA 4 1.541 -5.409 -4.068
19 HA ALA 4 HA ALA 4 3.055 -7.954 -3.758
20 HB1 ALA 4 1HB ALA 4 4.558 -7.304 -5.496
21 HB2 ALA 4 2HB ALA 4 3.753 -5.719 -5.579
22 HB3 ALA 4 3HB ALA 4 2.872 -7.174 -6.038
23 H ALA 5 H ALA 5 3.141 -6.478 -1.474
24 HA ALA 5 HA ALA 5 5.989 -6.013 -1.296
25 HB1 ALA 5 1HB ALA 5 3.934 -6.052 0.933
26 HB2 ALA 5 2HB ALA 5 4.375 -4.661 -0.034
27 HB3 ALA 5 3HB ALA 5 5.581 -5.399 1.018
28 H GLN 6 H GLN 6 7.475 -7.206 -0.373
29 HA GLN 6 HA GLN 6 7.566 -9.940 -0.397
30 HB2 GLN 6 2HB GLN 6 9.514 -8.500 -0.310
31 HB3 GLN 6 1HB GLN 6 9.143 -8.075 1.354
32 HG2 GLN 6 2HG GLN 6 9.498 -10.425 1.999
33 HG3 GLN 6 1HG GLN 6 9.945 -10.772 0.320
34 HE21 GLN 6 1HE2 GLN 6 11.866 -9.924 -0.498
35 HE22 GLN 6 2HE2 GLN 6 13.105 -9.342 0.547
36 H ASN 7 H ASN 7 6.961 -8.074 2.485
37 HA ASN 7 HA ASN 7 6.414 -10.598 3.931
38 HB2 ASN 7 2HB ASN 7 7.124 -7.879 4.619
39 HB3 ASN 7 1HB ASN 7 6.632 -8.954 5.967
40 HD21 ASN 7 1HD2 ASN 7 9.087 -7.743 3.966
41 HD22 ASN 7 2HD2 ASN 7 10.364 -8.818 4.390
42 H CYS 8 H CYS 8 4.485 -9.546 2.134
43 HA CYS 8 HA CYS 8 2.682 -7.927 3.565
44 HB2 CYS 8 2HB CYS 8 2.771 -7.776 1.092
45 HB3 CYS 8 1HB CYS 8 2.211 -9.429 1.006
46 H GLN 9 H GLN 9 0.825 -8.289 4.073
47 HA GLN 9 HA GLN 9 -0.263 -10.985 4.771
48 HB2 GLN 9 2HB GLN 9 -0.857 -8.467 6.361
49 HB3 GLN 9 1HB GLN 9 -1.513 -10.053 6.701
50 HG2 GLN 9 2HG GLN 9 0.798 -10.850 7.162
51 HG3 GLN 9 1HG GLN 9 1.347 -9.169 6.961
52 HE21 GLN 9 1HE2 GLN 9 1.463 -10.922 9.315
53 HE22 GLN 9 2HE2 GLN 9 0.599 -10.093 10.546
54 H ARG 10 H ARG 10 -2.553 -11.338 4.422
55 HA ARG 10 HA ARG 10 -3.702 -9.580 2.469
56 HB2 ARG 10 2HB ARG 10 -4.490 -12.343 3.437
57 HB3 ARG 10 1HB ARG 10 -5.175 -11.505 2.055
58 HG2 ARG 10 2HG ARG 10 -3.003 -11.659 0.935
59 HG3 ARG 10 1HG ARG 10 -2.352 -12.542 2.312
60 HD2 ARG 10 2HD ARG 10 -4.026 -14.307 2.011
61 HD3 ARG 10 1HD ARG 10 -4.680 -13.452 0.611
62 HE ARG 10 HE ARG 10 -2.029 -13.867 0.017
63 HH11 ARG 10 1HH1 ARG 10 -4.720 -16.048 0.878
64 HH12 ARG 10 2HH1 ARG 10 -4.129 -17.336 -0.035
65 HH21 ARG 10 1HH2 ARG 10 -1.250 -15.744 -1.268
66 HH22 ARG 10 2HH2 ARG 10 -2.204 -17.155 -1.267
67 HA PRO 11 HA PRO 11 -6.089 -8.423 6.212
68 HB2 PRO 11 2HB PRO 11 -7.040 -6.056 5.263
69 HB3 PRO 11 1HB PRO 11 -5.416 -6.243 5.939
70 HG2 PRO 11 2HG PRO 11 -6.262 -6.082 3.085
71 HG3 PRO 11 1HG PRO 11 -4.825 -5.431 3.849
72 HD2 PRO 11 2HD PRO 11 -4.815 -7.768 2.368
73 HD3 PRO 11 1HD PRO 11 -3.665 -7.384 3.639
74 H CYS 12 H CYS 12 -7.461 -7.538 3.050
75 HA CYS 12 HA CYS 12 -9.361 -7.968 1.995
76 HB2 CYS 12 2HB CYS 12 -9.432 -10.455 3.729
77 HB3 CYS 12 1HB CYS 12 -10.391 -10.203 2.275
78 HG CYS 12 HG CYS 12 -8.316 -11.965 1.726
79 H LYS 13 H LYS 13 -9.395 -6.674 4.754
80 HA LYS 13 HA LYS 13 -12.054 -6.951 5.757
81 HB2 LYS 13 2HB LYS 13 -10.174 -4.544 6.008
82 HB3 LYS 13 1HB LYS 13 -11.614 -4.819 6.967
83 HG2 LYS 13 2HG LYS 13 -10.657 -6.728 7.982
84 HG3 LYS 13 1HG LYS 13 -9.196 -6.575 6.995
85 HD2 LYS 13 2HD LYS 13 -8.701 -4.425 8.014
86 HD3 LYS 13 1HD LYS 13 -10.218 -4.465 8.902
87 HE2 LYS 13 2HE LYS 13 -9.569 -6.391 10.028
88 HE3 LYS 13 1HE LYS 13 -8.003 -6.476 9.205
89 HZ1 LYS 13 3HZ LYS 13 -7.525 -4.231 10.224
90 HZ2 LYS 13 1HZ LYS 13 -7.716 -5.454 11.377
91 HZ3 LYS 13 2HZ LYS 13 -8.959 -4.368 11.080
92 H ASP 14 H ASP 14 -13.486 -4.774 5.696
93 HA ASP 14 HA ASP 14 -14.458 -4.556 3.085
94 HB2 ASP 14 2HB ASP 14 -14.875 -2.556 5.333
95 HB3 ASP 14 1HB ASP 14 -15.846 -2.673 3.879
96 H LYS 15 H LYS 15 -13.132 -1.787 4.857
97 HA LYS 15 HA LYS 15 -12.042 -0.832 2.305
98 HB2 LYS 15 2HB LYS 15 -12.355 0.629 4.928
99 HB3 LYS 15 1HB LYS 15 -11.970 1.342 3.362
100 HG2 LYS 15 2HG LYS 15 -14.132 0.698 2.493
101 HG3 LYS 15 1HG LYS 15 -14.521 -0.105 4.010
102 HD2 LYS 15 2HD LYS 15 -14.237 2.138 5.122
103 HD3 LYS 15 1HD LYS 15 -14.160 2.828 3.493
104 HE2 LYS 15 2HE LYS 15 -16.272 1.059 4.511
105 HE3 LYS 15 1HE LYS 15 -16.466 2.828 4.537
106 HZ1 LYS 15 3HZ LYS 15 -16.248 2.705 2.044
107 HZ2 LYS 15 1HZ LYS 15 -17.591 1.899 2.649
108 HZ3 LYS 15 2HZ LYS 15 -16.282 0.999 2.163
109 H VAL 16 H VAL 16 -9.958 -1.201 1.930
110 HA VAL 16 HA VAL 16 -8.161 -1.237 4.219
111 HB VAL 16 HB VAL 16 -6.748 -2.986 3.126
112 HG11 VAL 16 1HG1 VAL 16 -9.604 -3.815 3.677
113 HG12 VAL 16 2HG1 VAL 16 -8.304 -3.635 4.864
114 HG13 VAL 16 3HG1 VAL 16 -8.218 -4.904 3.653
115 HG21 VAL 16 3HG2 VAL 16 -7.399 -2.806 0.812
116 HG22 VAL 16 1HG2 VAL 16 -9.074 -3.210 1.230
117 HG23 VAL 16 2HG2 VAL 16 -7.825 -4.428 1.410
118 H ASP 17 H ASP 17 -5.903 -0.650 3.803
119 HA ASP 17 HA ASP 17 -5.872 1.720 2.149
120 HB2 ASP 17 2HB ASP 17 -3.788 0.669 4.061
121 HB3 ASP 17 1HB ASP 17 -3.923 2.292 3.413
122 H TRP 18 H TRP 18 -4.379 2.110 0.569
123 HA TRP 18 HA TRP 18 -2.274 0.097 -0.004
124 HB2 TRP 18 2HB TRP 18 -3.653 1.417 -2.372
125 HB3 TRP 18 1HB TRP 18 -2.563 0.117 -2.308
126 HD1 TRP 18 HD TRP 18 -5.970 0.559 -0.727
127 HE1 TRP 18 1HE TRP 18 -7.336 -1.675 -1.157
128 HE3 TRP 18 3HE TRP 18 -2.606 -1.886 -3.434
129 HZ2 TRP 18 2HZ TRP 18 -6.947 -4.073 -2.552
130 HZ3 TRP 18 3HZ TRP 18 -3.100 -4.133 -4.353
131 HH2 TRP 18 HH TRP 18 -5.231 -5.182 -3.936
132 H VAL 19 H VAL 19 -0.503 0.968 -1.470
133 HA VAL 19 HA VAL 19 -0.098 3.868 -1.351
134 HB VAL 19 HB VAL 19 2.053 1.941 -0.954
135 HG11 VAL 19 1HG1 VAL 19 2.746 4.124 -1.407
136 HG12 VAL 19 2HG1 VAL 19 3.210 3.720 0.242
137 HG13 VAL 19 3HG1 VAL 19 1.821 4.771 -0.053
138 HG21 VAL 19 3HG2 VAL 19 2.073 2.017 1.412
139 HG22 VAL 19 1HG2 VAL 19 0.630 1.239 0.798
140 HG23 VAL 19 2HG2 VAL 19 0.539 2.908 1.456
141 H GLN 20 H GLN 20 0.848 4.356 -3.298
142 HA GLN 20 HA GLN 20 1.954 2.092 -4.817
143 HB2 GLN 20 2HB GLN 20 0.303 4.102 -5.706
144 HB3 GLN 20 1HB GLN 20 1.877 4.656 -6.195
145 HG2 GLN 20 2HG GLN 20 2.393 2.543 -7.287
146 HG3 GLN 20 1HG GLN 20 0.811 1.924 -6.857
147 HE21 GLN 20 1HE2 GLN 20 1.927 2.075 -9.412
148 HE22 GLN 20 2HE2 GLN 20 0.930 3.107 -10.357
149 H CYS 21 H CYS 21 4.082 2.032 -5.398
150 HA CYS 21 HA CYS 21 5.871 3.755 -3.977
151 HB2 CYS 21 2HB CYS 21 6.112 1.235 -4.508
152 HB3 CYS 21 1HB CYS 21 6.458 1.758 -6.121
153 H ASP 22 H ASP 22 7.098 5.354 -4.860
154 HA ASP 22 HA ASP 22 6.635 6.156 -7.694
155 HB2 ASP 22 2HB ASP 22 7.606 7.817 -5.355
156 HB3 ASP 22 1HB ASP 22 7.374 8.406 -6.982
157 H GLY 23 H GLY 23 8.704 4.286 -6.249
158 HA2 GLY 23 2HA GLY 23 11.113 5.732 -7.098
159 HA3 GLY 23 1HA GLY 23 11.106 4.494 -5.857
160 H GLY 24 H GLY 24 9.226 3.734 -8.526
161 HA2 GLY 24 2HA GLY 24 10.529 3.000 -10.648
162 HA3 GLY 24 1HA GLY 24 11.475 2.075 -9.513
163 H CYS 25 H CYS 25 9.576 0.796 -7.988
164 HA CYS 25 HA CYS 25 8.800 -1.197 -9.907
165 HB2 CYS 25 2HB CYS 25 7.988 -2.580 -8.099
166 HB3 CYS 25 1HB CYS 25 9.517 -1.875 -7.614
167 H ASP 26 H ASP 26 7.228 1.548 -8.877
168 HA ASP 26 HA ASP 26 5.025 2.219 -8.538
169 HB2 ASP 26 2HB ASP 26 5.370 1.334 -11.384
170 HB3 ASP 26 1HB ASP 26 3.937 2.219 -10.836
171 H GLU 27 H GLU 27 5.154 -0.468 -7.647
172 HA GLU 27 HA GLU 27 2.520 -1.438 -8.418
173 HB2 GLU 27 2HB GLU 27 4.693 -2.815 -6.823
174 HB3 GLU 27 1HB GLU 27 3.070 -3.452 -6.987
175 HG2 GLU 27 2HG GLU 27 3.358 -3.480 -9.430
176 HG3 GLU 27 1HG GLU 27 5.022 -2.934 -9.201
177 H TRP 28 H TRP 28 1.214 -2.335 -6.541
178 HA TRP 28 HA TRP 28 1.029 -0.110 -4.671
179 HB2 TRP 28 2HB TRP 28 -1.133 -2.045 -5.563
180 HB3 TRP 28 1HB TRP 28 -1.277 -0.863 -4.266
181 HD1 TRP 28 HD TRP 28 -0.985 -0.942 -8.152
182 HE1 TRP 28 1HE TRP 28 -1.972 1.258 -9.006
183 HE3 TRP 28 3HE TRP 28 -1.762 1.494 -3.682
184 HZ2 TRP 28 2HZ TRP 28 -2.933 3.644 -7.997
185 HZ3 TRP 28 3HZ TRP 28 -2.684 3.713 -3.734
186 HH2 TRP 28 HH TRP 28 -3.272 4.809 -5.860
187 H PHE 29 H PHE 29 1.115 -0.393 -2.614
188 HA PHE 29 HA PHE 29 1.344 -3.134 -1.487
189 HB2 PHE 29 2HB PHE 29 2.469 -0.716 -0.168
190 HB3 PHE 29 1HB PHE 29 2.887 -2.404 0.042
191 HD1 PHE 29 2HD PHE 29 4.030 -3.540 -2.024
192 HD2 PHE 29 1HD PHE 29 3.784 0.646 -1.310
193 HE1 PHE 29 2HE PHE 29 5.988 -3.175 -3.478
194 HE2 PHE 29 1HE PHE 29 5.683 1.021 -2.686
195 HZ PHE 29 HZ PHE 29 6.830 -0.879 -3.822
196 H HIS 30 H HIS 30 0.900 -3.050 0.874
197 HA HIS 30 HA HIS 30 -1.363 -1.225 1.495
198 HB2 HIS 30 2HB HIS 30 -0.334 -3.594 3.069
199 HB3 HIS 30 1HB HIS 30 -1.713 -2.613 3.524
200 HD2 HIS 30 2HD HIS 30 -4.102 -3.267 2.159
201 HE1 HIS 30 1HE HIS 30 -2.512 -6.938 0.690
202 HE2 HIS 30 2HE HIS 30 -4.520 -5.380 0.688
203 H GLN 31 H GLN 31 -1.013 0.365 3.099
204 HA GLN 31 HA GLN 31 1.365 1.452 3.678
205 HB2 GLN 31 2HB GLN 31 -1.007 1.296 5.548
206 HB3 GLN 31 1HB GLN 31 0.276 2.503 5.541
207 HG2 GLN 31 2HG GLN 31 -1.065 2.087 3.062
208 HG3 GLN 31 1HG GLN 31 -2.104 2.878 4.286
209 HE21 GLN 31 1HE2 GLN 31 -1.339 4.018 1.800
210 HE22 GLN 31 2HE2 GLN 31 -0.240 5.312 2.145
211 H VAL 32 H VAL 32 -0.339 -0.944 5.745
212 HA VAL 32 HA VAL 32 1.638 -0.882 7.743
213 HB VAL 32 HB VAL 32 0.380 -2.733 8.776
214 HG11 VAL 32 1HG1 VAL 32 -1.718 -1.510 9.142
215 HG12 VAL 32 2HG1 VAL 32 -1.402 -0.555 7.697
216 HG13 VAL 32 3HG1 VAL 32 -0.350 -0.390 9.104
217 HG21 VAL 32 3HG2 VAL 32 -1.669 -3.588 7.720
218 HG22 VAL 32 1HG2 VAL 32 -0.245 -3.935 6.734
219 HG23 VAL 32 2HG2 VAL 32 -1.344 -2.620 6.287
220 H CYS 33 H CYS 33 1.326 -2.861 4.836
221 HA CYS 33 HA CYS 33 2.914 -4.996 6.009
222 HB2 CYS 33 2HB CYS 33 2.585 -6.158 3.831
223 HB3 CYS 33 1HB CYS 33 1.002 -5.605 4.403
224 H VAL 34 H VAL 34 3.434 -2.125 4.067
225 HA VAL 34 HA VAL 34 6.019 -3.094 3.330
226 HB VAL 34 HB VAL 34 4.399 -2.380 1.524
227 HG11 VAL 34 1HG1 VAL 34 3.171 -0.596 2.624
228 HG12 VAL 34 2HG1 VAL 34 4.015 0.005 1.192
229 HG13 VAL 34 3HG1 VAL 34 4.698 0.279 2.780
230 HG21 VAL 34 3HG2 VAL 34 5.989 -0.947 0.373
231 HG22 VAL 34 1HG2 VAL 34 6.685 -2.395 1.167
232 HG23 VAL 34 2HG2 VAL 34 6.816 -0.805 1.965
233 H GLY 35 H GLY 35 4.844 -1.804 5.887
234 HA2 GLY 35 2HA GLY 35 5.477 -0.342 7.538
235 HA3 GLY 35 1HA GLY 35 7.049 -0.393 6.783
236 H VAL 36 H VAL 36 3.978 1.051 5.650
237 HA VAL 36 HA VAL 36 5.328 3.684 5.425
238 HB VAL 36 HB VAL 36 2.542 2.938 4.476
239 HG11 VAL 36 1HG1 VAL 36 3.108 5.368 4.742
240 HG12 VAL 36 2HG1 VAL 36 2.480 4.660 3.260
241 HG13 VAL 36 3HG1 VAL 36 4.203 5.075 3.315
242 HG21 VAL 36 3HG2 VAL 36 5.059 2.706 2.958
243 HG22 VAL 36 1HG2 VAL 36 3.524 3.346 2.307
244 HG23 VAL 36 2HG2 VAL 36 3.532 1.725 3.016
245 H SER 37 H SER 37 4.284 5.555 6.585
246 HA SER 37 HA SER 37 2.132 4.778 8.311
247 HB2 SER 37 2HB SER 37 4.131 5.685 9.483
248 HB3 SER 37 1HB SER 37 4.158 7.081 8.392
249 HG SER 37 HG SER 37 3.187 7.611 10.329
250 HA PRO 38 HA PRO 38 -0.364 6.931 5.259
251 HB2 PRO 38 2HB PRO 38 -1.542 8.406 7.542
252 HB3 PRO 38 1HB PRO 38 -2.359 7.493 6.264
253 HG2 PRO 38 2HG PRO 38 -2.105 6.519 8.757
254 HG3 PRO 38 1HG PRO 38 -2.058 5.462 7.335
255 HD2 PRO 38 2HD PRO 38 0.119 6.349 9.143
256 HD3 PRO 38 1HD PRO 38 -0.021 4.867 8.179
257 H GLU 39 H GLU 39 1.256 8.642 7.793
258 HA GLU 39 HA GLU 39 1.107 11.303 6.929
259 HB2 GLU 39 2HB GLU 39 1.934 10.550 9.111
260 HB3 GLU 39 1HB GLU 39 3.291 9.778 8.318
261 HG2 GLU 39 2HG GLU 39 4.094 11.984 7.588
262 HG3 GLU 39 1HG GLU 39 2.766 12.741 8.481
263 H MET 40 H MET 40 3.262 8.693 6.180
264 HA MET 40 HA MET 40 5.252 10.295 4.796
265 HB2 MET 40 2HB MET 40 4.933 7.305 4.923
266 HB3 MET 40 1HB MET 40 6.288 8.161 4.208
267 HG2 MET 40 2HG MET 40 6.889 9.049 6.387
268 HG3 MET 40 1HG MET 40 5.459 8.308 7.099
269 HE1 MET 40 3HE MET 40 8.903 7.640 5.336
270 HE2 MET 40 1HE MET 40 7.799 6.708 4.325
271 HE3 MET 40 2HE MET 40 8.981 5.883 5.340
272 H ALA 41 H ALA 41 2.872 7.837 3.807
273 HA ALA 41 HA ALA 41 3.548 7.993 1.062
274 HB1 ALA 41 1HB ALA 41 2.599 5.948 1.957
275 HB2 ALA 41 2HB ALA 41 1.473 6.669 0.771
276 HB3 ALA 41 3HB ALA 41 1.222 6.919 2.499
277 H GLU 42 H GLU 42 1.207 9.830 3.023
278 HA GLU 42 HA GLU 42 -0.083 10.671 0.608
279 HB2 GLU 42 2HB GLU 42 -0.450 11.426 3.492
280 HB3 GLU 42 1HB GLU 42 -1.372 12.168 2.183
281 HG2 GLU 42 2HG GLU 42 -2.324 9.965 1.656
282 HG3 GLU 42 1HG GLU 42 -1.393 9.256 2.975
283 H ASN 43 H ASN 43 2.346 11.556 2.708
284 HA ASN 43 HA ASN 43 2.344 14.407 2.062
285 HB2 ASN 43 2HB ASN 43 3.181 13.561 4.313
286 HB3 ASN 43 1HB ASN 43 4.588 12.966 3.421
287 HD21 ASN 43 1HD2 ASN 43 6.250 14.362 2.963
288 HD22 ASN 43 2HD2 ASN 43 6.249 16.015 3.382
289 H GLU 44 H GLU 44 4.477 11.763 1.214
290 HA GLU 44 HA GLU 44 5.442 13.286 -1.050
291 HB2 GLU 44 2HB GLU 44 7.280 12.302 1.094
292 HB3 GLU 44 1HB GLU 44 7.824 12.661 -0.532
293 HG2 GLU 44 2HG GLU 44 7.052 14.900 -0.334
294 HG3 GLU 44 1HG GLU 44 6.433 14.591 1.268
295 H ASP 45 H ASP 45 7.187 11.965 -2.311
296 HA ASP 45 HA ASP 45 6.134 9.787 -3.519
297 HB2 ASP 45 2HB ASP 45 9.083 10.322 -3.081
298 HB3 ASP 45 1HB ASP 45 8.349 9.443 -4.410
299 H TYR 46 H TYR 46 6.068 7.674 -2.996
300 HA TYR 46 HA TYR 46 7.654 6.998 -0.667
301 HB2 TYR 46 2HB TYR 46 5.329 6.818 0.025
302 HB3 TYR 46 1HB TYR 46 5.027 5.652 -1.285
303 HD1 TYR 46 2HD TYR 46 7.300 6.175 1.625
304 HD2 TYR 46 1HD TYR 46 5.278 3.532 -0.880
305 HE1 TYR 46 2HE TYR 46 8.188 4.296 2.979
306 HE2 TYR 46 1HE TYR 46 6.148 1.572 0.423
307 HH TYR 46 HH TYR 46 7.572 1.838 3.432
308 H ILE 47 H ILE 47 8.964 5.918 -0.806
309 HA ILE 47 HA ILE 47 9.338 4.172 -3.139
310 HB ILE 47 HB ILE 47 11.472 5.828 -1.820
311 HG12 ILE 47 2HG1 ILE 47 10.077 5.877 -4.492
312 HG13 ILE 47 1HG1 ILE 47 9.726 6.912 -3.131
313 HG21 ILE 47 1HG2 ILE 47 12.469 3.717 -2.585
314 HG22 ILE 47 2HG2 ILE 47 12.893 5.008 -3.718
315 HG23 ILE 47 3HG2 ILE 47 11.619 3.850 -4.119
316 HD11 ILE 47 3HD1 ILE 47 10.887 7.966 -4.751
317 HD12 ILE 47 1HD1 ILE 47 12.213 6.773 -4.669
318 HD13 ILE 47 2HD1 ILE 47 11.834 7.819 -3.227
319 H CYS 48 H CYS 48 9.128 2.214 -2.594
320 HA CYS 48 HA CYS 48 9.367 1.161 0.009
321 HB2 CYS 48 2HB CYS 48 8.780 -0.916 -0.896
322 HB3 CYS 48 1HB CYS 48 7.949 0.214 -1.929
323 H ILE 49 H ILE 49 10.861 -0.761 0.580
324 HA ILE 49 HA ILE 49 13.450 0.180 0.372
325 HB ILE 49 HB ILE 49 14.061 -1.694 1.744
326 HG12 ILE 49 2HG1 ILE 49 12.248 -2.788 2.749
327 HG13 ILE 49 1HG1 ILE 49 11.173 -2.502 1.392
328 HG21 ILE 49 1HG2 ILE 49 12.590 -1.012 3.605
329 HG22 ILE 49 2HG2 ILE 49 11.573 -0.278 2.329
330 HG23 ILE 49 3HG2 ILE 49 13.204 0.356 2.621
331 HD11 ILE 49 3HD1 ILE 49 12.046 -4.766 1.141
332 HD12 ILE 49 1HD1 ILE 49 13.695 -4.204 1.443
333 HD13 ILE 49 2HD1 ILE 49 12.869 -3.761 -0.055
334 H ASN 50 H ASN 50 11.717 -1.799 -1.456
335 HA ASN 50 HA ASN 50 13.822 -3.383 -2.676
336 HB2 ASN 50 2HB ASN 50 11.065 -2.780 -3.830
337 HB3 ASN 50 1HB ASN 50 12.210 -3.917 -4.493
338 HD21 ASN 50 1HD2 ASN 50 9.493 -4.372 -3.573
339 HD22 ASN 50 2HD2 ASN 50 9.634 -5.579 -2.334
340 H CYS 51 H CYS 51 12.448 -0.262 -3.218
341 HA CYS 51 HA CYS 51 14.006 0.092 -5.687
342 HB2 CYS 51 2HB CYS 51 11.751 1.757 -4.515
343 HB3 CYS 51 1HB CYS 51 12.573 2.204 -6.005
344 H ALA 52 H ALA 52 14.236 0.585 -2.479
345 HA ALA 52 HA ALA 52 15.326 3.171 -2.184
346 HB1 ALA 52 3HB ALA 52 14.592 1.861 -0.266
347 HB2 ALA 52 1HB ALA 52 16.252 2.399 -0.049
348 HB3 ALA 52 2HB ALA 52 15.919 0.729 -0.504
349 HA ALA 301 HA ALA 301 3.376 9.337 -4.243
350 HB1 ALA 301 2HB ALA 301 2.941 7.272 -3.011
351 HB2 ALA 301 3HB ALA 301 2.452 8.194 -1.603
352 HB3 ALA 301 1HB ALA 301 4.139 8.270 -2.142
353 H ARG 302 H ARG 302 1.661 7.363 -4.313
354 HA ARG 302 HA ARG 302 -0.955 8.638 -4.752
355 HB2 ARG 302 2HB ARG 302 0.404 6.356 -6.209
356 HB3 ARG 302 1HB ARG 302 -1.252 6.899 -6.523
357 HG2 ARG 302 2HG ARG 302 -0.504 8.999 -7.317
358 HG3 ARG 302 1HG ARG 302 1.140 8.710 -6.752
359 HD2 ARG 302 2HD ARG 302 -0.251 7.145 -8.939
360 HD3 ARG 302 1HD ARG 302 0.875 8.472 -9.211
361 HE ARG 302 HE ARG 302 1.867 6.290 -7.591
362 HH11 ARG 302 1HH1 ARG 302 1.796 7.767 -10.796
363 HH12 ARG 302 2HH1 ARG 302 3.082 6.865 -11.428
364 HH21 ARG 302 1HH2 ARG 302 3.706 5.054 -8.421
365 HH22 ARG 302 2HH2 ARG 302 4.198 5.256 -10.031
366 H THR 303 H THR 303 -2.266 8.047 -3.050
367 HA THR 303 HA THR 303 -1.960 5.359 -2.014
368 HB THR 303 HB THR 303 -3.223 6.351 -0.025
369 HG1 THR 303 1HG THR 303 -3.382 8.550 0.053
370 HG21 THR 303 3HG2 THR 303 -0.882 5.809 -0.117
371 HG22 THR 303 1HG2 THR 303 -1.119 7.280 0.868
372 HG23 THR 303 2HG2 THR 303 -0.525 7.399 -0.803
373 H M3L 304 H M3L 304 -4.109 4.510 -0.990
374 HA M3L 304 HA M3L 304 -6.403 5.019 -2.727
375 HB2 M3L 304 1HB M3L 304 -4.916 2.558 -2.571
376 HB3 M3L 304 2HB M3L 304 -4.633 3.571 -3.927
377 HG2 M3L 304 1HG M3L 304 -7.199 3.115 -4.349
378 HG3 M3L 304 2HG M3L 304 -6.798 1.751 -3.251
379 HD2 M3L 304 1HD M3L 304 -4.893 1.210 -4.654
380 HD3 M3L 304 2HD M3L 304 -5.399 2.452 -5.794
381 HE2 M3L 304 1HE M3L 304 -7.568 1.237 -6.030
382 HE3 M3L 304 2HE M3L 304 -6.797 0.059 -4.944
383 HM11 M3L 304 1HM1 M3L 304 -4.031 0.003 -6.081
384 HM12 M3L 304 2HM1 M3L 304 -4.267 -1.115 -7.350
385 HM13 M3L 304 3HM1 M3L 304 -4.946 -1.445 -5.790
386 HM21 M3L 304 1HM2 M3L 304 -5.633 0.744 -8.932
387 HM22 M3L 304 2HM2 M3L 304 -4.652 1.540 -7.746
388 HM23 M3L 304 3HM2 M3L 304 -6.314 1.960 -7.904
389 HM31 M3L 304 3HM3 M3L 304 -6.389 -1.617 -8.162
390 HM32 M3L 304 1HM3 M3L 304 -7.660 -0.449 -8.125
391 HM33 M3L 304 2HM3 M3L 304 -7.427 -1.499 -6.783
392 H GLN 305 H GLN 305 -8.138 3.588 -2.191
393 HA GLN 305 HA GLN 305 -8.062 2.014 0.232
394 HB2 GLN 305 2HB GLN 305 -8.748 4.244 1.045
395 HB3 GLN 305 1HB GLN 305 -9.930 4.355 -0.241
396 HG2 GLN 305 2HG GLN 305 -11.149 2.446 0.737
397 HG3 GLN 305 1HG GLN 305 -10.000 2.415 2.064
398 HE21 GLN 305 1HE2 GLN 305 -12.625 4.183 0.552
399 HE22 GLN 305 2HE2 GLN 305 -12.929 5.201 1.919
400 H THR 306 H THR 306 -8.739 0.142 -0.693
401 HA THR 306 HA THR 306 -10.777 0.227 -2.790
402 HB THR 306 HB THR 306 -10.415 -2.242 -2.876
403 HG1 THR 306 1HG THR 306 -9.639 -2.209 -0.624
404 HG21 THR 306 3HG2 THR 306 -9.094 -0.742 -4.390
405 HG22 THR 306 1HG2 THR 306 -8.138 -2.149 -3.911
406 HG23 THR 306 2HG2 THR 306 -7.842 -0.632 -3.142
407 H ALA 307 H ALA 307 -12.824 -0.683 -2.538
408 HA ALA 307 HA ALA 307 -13.509 -1.143 0.253
409 HB1 ALA 307 1HB ALA 307 -15.262 0.036 -1.894
410 HB2 ALA 307 2HB ALA 307 -14.399 0.944 -0.646
411 HB3 ALA 307 3HB ALA 307 -15.665 -0.183 -0.187
412 H ARG 308 H ARG 308 -13.746 -3.168 0.563
413 HA ARG 308 HA ARG 308 -15.191 -4.858 -1.316
414 HB2 ARG 308 2HB ARG 308 -13.875 -5.529 1.359
415 HB3 ARG 308 1HB ARG 308 -14.597 -6.681 0.262
416 HG2 ARG 308 2HG ARG 308 -12.156 -5.014 -0.334
417 HG3 ARG 308 1HG ARG 308 -12.154 -6.708 0.172
418 HD2 ARG 308 2HD ARG 308 -13.444 -7.288 -1.854
419 HD3 ARG 308 1HD ARG 308 -13.373 -5.606 -2.365
420 HE ARG 308 HE ARG 308 -10.786 -6.431 -1.902
421 HH11 ARG 308 1HH1 ARG 308 -13.403 -7.265 -4.132
422 HH12 ARG 308 2HH1 ARG 308 -12.376 -7.751 -5.405
423 HH21 ARG 308 1HH2 ARG 308 -9.338 -7.120 -3.702
424 HH22 ARG 308 2HH2 ARG 308 -10.026 -7.652 -5.155
425 H LYS 309 H LYS 309 -16.728 -6.429 0.279
426 HA LYS 309 HA LYS 309 -18.202 -4.567 1.998
427 HB2 LYS 309 2HB LYS 309 -19.457 -6.376 -0.062
428 HB3 LYS 309 1HB LYS 309 -20.363 -5.426 1.101
429 HG2 LYS 309 2HG LYS 309 -19.394 -3.370 0.153
430 HG3 LYS 309 1HG LYS 309 -18.542 -4.338 -1.045
431 HD2 LYS 309 2HD LYS 309 -20.696 -5.131 -1.904
432 HD3 LYS 309 1HD LYS 309 -21.527 -4.121 -0.712
433 HE2 LYS 309 2HE LYS 309 -20.393 -2.135 -1.687
434 HE3 LYS 309 1HE LYS 309 -19.691 -3.181 -2.916
435 HZ1 LYS 309 3HZ LYS 309 -21.643 -2.061 -3.732
436 HZ2 LYS 309 1HZ LYS 309 -22.576 -2.703 -2.504
437 HZ3 LYS 309 2HZ LYS 309 -21.956 -3.715 -3.663
Start of MODEL 4
1 HA SER 1 HA SER 1 -6.634 -8.706 -2.549
2 HB2 SER 1 2HB SER 1 -5.834 -11.621 -2.793
3 HB3 SER 1 1HB SER 1 -6.775 -10.946 -1.469
4 HG SER 1 HG SER 1 -7.507 -10.947 -4.213
5 H VAL 2 H VAL 2 -3.589 -10.173 -3.415
6 HA VAL 2 HA VAL 2 -2.431 -9.224 -0.914
7 HB VAL 2 HB VAL 2 -1.189 -11.181 -2.877
8 HG11 VAL 2 1HG1 VAL 2 0.352 -11.739 -1.061
9 HG12 VAL 2 2HG1 VAL 2 -0.410 -10.498 -0.060
10 HG13 VAL 2 3HG1 VAL 2 0.433 -10.046 -1.545
11 HG21 VAL 2 3HG2 VAL 2 -3.185 -12.215 -1.940
12 HG22 VAL 2 1HG2 VAL 2 -2.622 -11.827 -0.314
13 HG23 VAL 2 2HG2 VAL 2 -1.728 -12.981 -1.302
14 H CYS 3 H CYS 3 -0.614 -7.799 -1.200
15 HA CYS 3 HA CYS 3 -0.557 -6.541 -3.797
16 HB2 CYS 3 2HB CYS 3 -0.273 -4.561 -2.672
17 HB3 CYS 3 1HB CYS 3 -1.164 -5.470 -1.452
18 H ALA 4 H ALA 4 1.582 -5.208 -3.759
19 HA ALA 4 HA ALA 4 3.730 -7.192 -4.063
20 HB1 ALA 4 1HB ALA 4 3.718 -4.288 -4.906
21 HB2 ALA 4 2HB ALA 4 3.392 -5.647 -5.970
22 HB3 ALA 4 3HB ALA 4 5.004 -5.442 -5.255
23 H ALA 5 H ALA 5 4.513 -7.515 -2.173
24 HA ALA 5 HA ALA 5 6.072 -5.695 -0.723
25 HB1 ALA 5 1HB ALA 5 4.698 -5.751 1.489
26 HB2 ALA 5 2HB ALA 5 3.344 -6.255 0.436
27 HB3 ALA 5 3HB ALA 5 4.162 -4.750 0.164
28 H GLN 6 H GLN 6 7.515 -7.144 -0.545
29 HA GLN 6 HA GLN 6 7.551 -9.918 -0.138
30 HB2 GLN 6 2HB GLN 6 9.706 -8.177 1.037
31 HB3 GLN 6 1HB GLN 6 9.784 -9.917 0.861
32 HG2 GLN 6 2HG GLN 6 9.522 -9.639 -1.576
33 HG3 GLN 6 1HG GLN 6 9.616 -7.887 -1.350
34 HE21 GLN 6 1HE2 GLN 6 11.566 -6.983 -0.602
35 HE22 GLN 6 2HE2 GLN 6 13.051 -7.857 -0.757
36 H ASN 7 H ASN 7 6.762 -7.729 2.371
37 HA ASN 7 HA ASN 7 6.802 -9.961 4.322
38 HB2 ASN 7 2HB ASN 7 8.399 -8.054 4.721
39 HB3 ASN 7 1HB ASN 7 7.031 -6.975 4.874
40 HD21 ASN 7 1HD2 ASN 7 7.494 -6.424 6.974
41 HD22 ASN 7 2HD2 ASN 7 7.332 -7.519 8.304
42 H CYS 8 H CYS 8 4.786 -9.166 2.340
43 HA CYS 8 HA CYS 8 2.809 -7.632 3.519
44 HB2 CYS 8 2HB CYS 8 2.997 -7.913 1.078
45 HB3 CYS 8 1HB CYS 8 2.484 -9.558 1.243
46 H GLN 9 H GLN 9 0.785 -8.167 3.969
47 HA GLN 9 HA GLN 9 0.106 -10.793 4.991
48 HB2 GLN 9 2HB GLN 9 0.830 -9.493 6.963
49 HB3 GLN 9 1HB GLN 9 -0.256 -8.190 6.521
50 HG2 GLN 9 2HG GLN 9 -2.167 -9.573 6.927
51 HG3 GLN 9 1HG GLN 9 -1.146 -10.982 7.231
52 HE21 GLN 9 1HE2 GLN 9 0.014 -11.101 9.123
53 HE22 GLN 9 2HE2 GLN 9 -0.339 -10.149 10.514
54 H ARG 10 H ARG 10 -1.880 -11.340 4.371
55 HA ARG 10 HA ARG 10 -3.323 -9.596 2.570
56 HB2 ARG 10 2HB ARG 10 -2.732 -11.845 1.847
57 HB3 ARG 10 1HB ARG 10 -3.588 -12.537 3.219
58 HG2 ARG 10 2HG ARG 10 -5.681 -11.683 2.333
59 HG3 ARG 10 1HG ARG 10 -4.838 -11.015 0.933
60 HD2 ARG 10 2HD ARG 10 -4.066 -13.299 0.346
61 HD3 ARG 10 1HD ARG 10 -4.982 -13.923 1.720
62 HE ARG 10 HE ARG 10 -6.873 -12.666 0.352
63 HH11 ARG 10 1HH1 ARG 10 -4.393 -14.980 -0.712
64 HH12 ARG 10 2HH1 ARG 10 -5.280 -15.610 -2.007
65 HH21 ARG 10 1HH2 ARG 10 -8.145 -13.529 -1.468
66 HH22 ARG 10 2HH2 ARG 10 -7.498 -14.740 -2.449
67 HA PRO 11 HA PRO 11 -6.116 -9.065 6.051
68 HB2 PRO 11 2HB PRO 11 -6.952 -6.573 5.451
69 HB3 PRO 11 1HB PRO 11 -5.368 -6.908 6.152
70 HG2 PRO 11 2HG PRO 11 -6.042 -6.233 3.324
71 HG3 PRO 11 1HG PRO 11 -4.612 -5.810 4.284
72 HD2 PRO 11 2HD PRO 11 -4.708 -7.924 2.396
73 HD3 PRO 11 1HD PRO 11 -3.529 -7.651 3.666
74 H CYS 12 H CYS 12 -7.189 -7.658 2.953
75 HA CYS 12 HA CYS 12 -9.066 -7.723 1.760
76 HB2 CYS 12 2HB CYS 12 -9.126 -10.551 2.808
77 HB3 CYS 12 1HB CYS 12 -10.149 -9.962 1.497
78 HG CYS 12 HG CYS 12 -8.524 -10.855 -0.181
79 H LYS 13 H LYS 13 -9.440 -6.554 4.242
80 HA LYS 13 HA LYS 13 -11.955 -7.548 5.301
81 HB2 LYS 13 2HB LYS 13 -10.242 -5.188 6.199
82 HB3 LYS 13 1HB LYS 13 -11.721 -5.722 6.982
83 HG2 LYS 13 2HG LYS 13 -10.697 -7.881 7.436
84 HG3 LYS 13 1HG LYS 13 -9.184 -7.240 6.768
85 HD2 LYS 13 2HD LYS 13 -9.106 -5.526 8.439
86 HD3 LYS 13 1HD LYS 13 -10.713 -5.970 9.033
87 HE2 LYS 13 2HE LYS 13 -9.885 -8.126 9.601
88 HE3 LYS 13 1HE LYS 13 -8.234 -7.697 9.130
89 HZ1 LYS 13 3HZ LYS 13 -8.368 -5.895 10.865
90 HZ2 LYS 13 1HZ LYS 13 -8.499 -7.463 11.508
91 HZ3 LYS 13 2HZ LYS 13 -9.871 -6.529 11.310
92 H ASP 14 H ASP 14 -13.135 -4.932 5.958
93 HA ASP 14 HA ASP 14 -14.702 -4.619 3.684
94 HB2 ASP 14 2HB ASP 14 -15.463 -4.107 5.957
95 HB3 ASP 14 1HB ASP 14 -14.301 -2.797 6.079
96 H LYS 15 H LYS 15 -12.716 -1.943 5.044
97 HA LYS 15 HA LYS 15 -11.770 -1.485 2.343
98 HB2 LYS 15 2HB LYS 15 -12.691 0.542 4.360
99 HB3 LYS 15 1HB LYS 15 -11.757 0.990 2.943
100 HG2 LYS 15 2HG LYS 15 -13.504 0.086 1.505
101 HG3 LYS 15 1HG LYS 15 -14.478 -0.336 2.920
102 HD2 LYS 15 2HD LYS 15 -13.606 2.469 2.193
103 HD3 LYS 15 1HD LYS 15 -15.186 1.780 1.809
104 HE2 LYS 15 2HE LYS 15 -14.035 1.961 4.533
105 HE3 LYS 15 1HE LYS 15 -15.105 3.223 3.879
106 HZ1 LYS 15 3HZ LYS 15 -16.798 1.440 3.646
107 HZ2 LYS 15 1HZ LYS 15 -16.354 1.672 5.247
108 HZ3 LYS 15 2HZ LYS 15 -15.778 0.342 4.381
109 H VAL 16 H VAL 16 -9.668 -1.405 2.121
110 HA VAL 16 HA VAL 16 -8.038 -1.087 4.531
111 HB VAL 16 HB VAL 16 -6.492 -2.826 3.799
112 HG11 VAL 16 1HG1 VAL 16 -7.847 -4.826 4.107
113 HG12 VAL 16 2HG1 VAL 16 -9.309 -3.877 3.813
114 HG13 VAL 16 3HG1 VAL 16 -8.314 -3.537 5.223
115 HG21 VAL 16 3HG2 VAL 16 -6.707 -2.603 1.436
116 HG22 VAL 16 1HG2 VAL 16 -8.338 -3.266 1.429
117 HG23 VAL 16 2HG2 VAL 16 -7.002 -4.320 1.850
118 H ASP 17 H ASP 17 -6.218 0.154 4.320
119 HA ASP 17 HA ASP 17 -5.966 1.867 2.155
120 HB2 ASP 17 2HB ASP 17 -4.100 1.420 4.485
121 HB3 ASP 17 1HB ASP 17 -4.119 2.801 3.393
122 H TRP 18 H TRP 18 -4.221 2.334 1.110
123 HA TRP 18 HA TRP 18 -2.235 0.249 0.306
124 HB2 TRP 18 2HB TRP 18 -3.960 1.656 -1.659
125 HB3 TRP 18 1HB TRP 18 -2.649 0.582 -2.065
126 HD1 TRP 18 HD TRP 18 -5.974 0.247 -0.079
127 HE1 TRP 18 1HE TRP 18 -7.004 -2.028 -0.680
128 HE3 TRP 18 3HE TRP 18 -2.475 -1.356 -3.232
129 HZ2 TRP 18 2HZ TRP 18 -6.446 -4.155 -2.294
130 HZ3 TRP 18 3HZ TRP 18 -2.753 -3.553 -4.387
131 HH2 TRP 18 HH TRP 18 -4.679 -4.906 -3.959
132 H VAL 19 H VAL 19 -0.542 1.047 -1.252
133 HA VAL 19 HA VAL 19 0.048 3.922 -1.202
134 HB VAL 19 HB VAL 19 2.150 1.960 -0.934
135 HG11 VAL 19 1HG1 VAL 19 2.890 4.112 -1.323
136 HG12 VAL 19 2HG1 VAL 19 3.402 3.646 0.297
137 HG13 VAL 19 3HG1 VAL 19 2.023 4.731 0.082
138 HG21 VAL 19 3HG2 VAL 19 2.239 2.029 1.572
139 HG22 VAL 19 1HG2 VAL 19 0.943 1.078 0.831
140 HG23 VAL 19 2HG2 VAL 19 0.601 2.713 1.496
141 H GLN 20 H GLN 20 1.309 4.306 -3.013
142 HA GLN 20 HA GLN 20 1.949 1.940 -4.695
143 HB2 GLN 20 2HB GLN 20 0.281 3.770 -5.627
144 HB3 GLN 20 1HB GLN 20 1.773 4.640 -5.956
145 HG2 GLN 20 2HG GLN 20 2.651 2.715 -7.200
146 HG3 GLN 20 1HG GLN 20 1.123 1.875 -6.959
147 HE21 GLN 20 1HE2 GLN 20 2.378 2.389 -9.352
148 HE22 GLN 20 2HE2 GLN 20 1.366 3.370 -10.311
149 H CYS 21 H CYS 21 4.023 1.630 -5.156
150 HA CYS 21 HA CYS 21 6.089 3.308 -4.083
151 HB2 CYS 21 2HB CYS 21 6.212 0.819 -4.839
152 HB3 CYS 21 1HB CYS 21 6.444 1.514 -6.421
153 H ASP 22 H ASP 22 7.079 5.031 -4.969
154 HA ASP 22 HA ASP 22 6.399 5.761 -7.733
155 HB2 ASP 22 2HB ASP 22 7.534 7.421 -5.488
156 HB3 ASP 22 1HB ASP 22 7.206 8.030 -7.102
157 H GLY 23 H GLY 23 8.986 4.100 -6.191
158 HA2 GLY 23 2HA GLY 23 10.980 5.672 -7.614
159 HA3 GLY 23 1HA GLY 23 11.233 4.623 -6.237
160 H GLY 24 H GLY 24 9.330 3.387 -8.732
161 HA2 GLY 24 2HA GLY 24 10.952 2.592 -10.767
162 HA3 GLY 24 1HA GLY 24 11.630 1.638 -9.472
163 H CYS 25 H CYS 25 9.736 0.389 -8.285
164 HA CYS 25 HA CYS 25 8.792 -1.335 -10.343
165 HB2 CYS 25 2HB CYS 25 7.777 -2.776 -8.620
166 HB3 CYS 25 1HB CYS 25 9.378 -2.293 -8.099
167 H ASP 26 H ASP 26 6.940 0.251 -7.964
168 HA ASP 26 HA ASP 26 5.249 2.042 -8.221
169 HB2 ASP 26 2HB ASP 26 5.806 1.500 -11.152
170 HB3 ASP 26 1HB ASP 26 4.476 2.534 -10.634
171 H GLU 27 H GLU 27 5.057 -0.600 -7.542
172 HA GLU 27 HA GLU 27 2.484 -1.352 -8.656
173 HB2 GLU 27 2HB GLU 27 4.493 -2.797 -6.919
174 HB3 GLU 27 1HB GLU 27 2.928 -3.471 -7.384
175 HG2 GLU 27 2HG GLU 27 3.640 -3.384 -9.734
176 HG3 GLU 27 1HG GLU 27 5.199 -2.738 -9.232
177 H TRP 28 H TRP 28 1.226 -2.512 -6.404
178 HA TRP 28 HA TRP 28 1.118 -0.174 -4.777
179 HB2 TRP 28 2HB TRP 28 -1.003 -2.045 -5.790
180 HB3 TRP 28 1HB TRP 28 -1.188 -1.005 -4.390
181 HD1 TRP 28 HD TRP 28 -0.774 -0.730 -8.277
182 HE1 TRP 28 1HE TRP 28 -1.765 1.491 -8.948
183 HE3 TRP 28 3HE TRP 28 -1.682 1.245 -3.669
184 HZ2 TRP 28 2HZ TRP 28 -2.754 3.779 -7.785
185 HZ3 TRP 28 3HZ TRP 28 -2.676 3.509 -3.573
186 HH2 TRP 28 HH TRP 28 -3.194 4.718 -5.574
187 H PHE 29 H PHE 29 1.021 -0.446 -2.717
188 HA PHE 29 HA PHE 29 0.945 -3.134 -1.550
189 HB2 PHE 29 2HB PHE 29 2.565 -1.760 0.190
190 HB3 PHE 29 1HB PHE 29 3.084 -3.066 -0.794
191 HD1 PHE 29 1HD PHE 29 3.134 0.433 -0.150
192 HD2 PHE 29 2HD PHE 29 4.269 -2.535 -2.959
193 HE1 PHE 29 1HE PHE 29 4.711 1.981 -1.150
194 HE2 PHE 29 2HE PHE 29 5.837 -0.997 -3.963
195 HZ PHE 29 HZ PHE 29 6.069 1.272 -3.067
196 H HIS 30 H HIS 30 0.823 -3.093 0.661
197 HA HIS 30 HA HIS 30 -1.339 -1.301 1.664
198 HB2 HIS 30 2HB HIS 30 -0.103 -3.652 3.128
199 HB3 HIS 30 1HB HIS 30 -1.448 -2.697 3.719
200 HD2 HIS 30 2HD HIS 30 -3.918 -3.329 2.475
201 HE1 HIS 30 1HE HIS 30 -2.451 -6.945 0.772
202 HE2 HIS 30 2HE HIS 30 -4.413 -5.331 0.933
203 H GLN 31 H GLN 31 -0.937 0.378 3.291
204 HA GLN 31 HA GLN 31 1.461 1.448 3.633
205 HB2 GLN 31 2HB GLN 31 -0.900 1.351 5.504
206 HB3 GLN 31 1HB GLN 31 0.392 2.562 5.466
207 HG2 GLN 31 2HG GLN 31 -0.794 2.072 2.981
208 HG3 GLN 31 1HG GLN 31 -2.016 2.791 4.098
209 HE21 GLN 31 1HE2 GLN 31 -1.135 3.983 1.690
210 HE22 GLN 31 2HE2 GLN 31 -0.157 5.345 2.095
211 H VAL 32 H VAL 32 -0.276 -0.694 5.768
212 HA VAL 32 HA VAL 32 1.806 -0.705 7.737
213 HB VAL 32 HB VAL 32 0.654 -2.290 8.978
214 HG11 VAL 32 1HG1 VAL 32 -0.127 0.028 9.130
215 HG12 VAL 32 2HG1 VAL 32 -1.525 -1.051 9.310
216 HG13 VAL 32 3HG1 VAL 32 -1.207 -0.267 7.757
217 HG21 VAL 32 3HG2 VAL 32 -0.205 -3.828 7.330
218 HG22 VAL 32 1HG2 VAL 32 -1.300 -2.597 6.685
219 HG23 VAL 32 2HG2 VAL 32 -1.553 -3.252 8.305
220 H CYS 33 H CYS 33 0.884 -3.034 5.292
221 HA CYS 33 HA CYS 33 2.546 -5.125 6.206
222 HB2 CYS 33 2HB CYS 33 1.860 -6.346 4.290
223 HB3 CYS 33 1HB CYS 33 0.606 -5.170 4.451
224 H VAL 34 H VAL 34 3.425 -2.227 4.645
225 HA VAL 34 HA VAL 34 5.901 -3.459 3.907
226 HB VAL 34 HB VAL 34 4.441 -2.552 2.020
227 HG11 VAL 34 1HG1 VAL 34 4.508 -0.196 1.508
228 HG12 VAL 34 2HG1 VAL 34 5.103 0.124 3.132
229 HG13 VAL 34 3HG1 VAL 34 3.487 -0.516 2.915
230 HG21 VAL 34 3HG2 VAL 34 6.286 -1.526 0.883
231 HG22 VAL 34 1HG2 VAL 34 6.600 -3.036 1.787
232 HG23 VAL 34 2HG2 VAL 34 7.091 -1.466 2.502
233 H GLY 35 H GLY 35 4.401 -0.486 5.153
234 HA2 GLY 35 2HA GLY 35 4.789 -0.415 7.798
235 HA3 GLY 35 1HA GLY 35 6.464 -0.602 7.251
236 H VAL 36 H VAL 36 3.773 1.154 6.353
237 HA VAL 36 HA VAL 36 5.360 3.680 5.759
238 HB VAL 36 HB VAL 36 2.652 2.929 4.642
239 HG11 VAL 36 1HG1 VAL 36 4.287 5.196 3.717
240 HG12 VAL 36 2HG1 VAL 36 3.181 5.242 5.117
241 HG13 VAL 36 3HG1 VAL 36 2.554 4.741 3.509
242 HG21 VAL 36 3HG2 VAL 36 4.046 1.680 3.329
243 HG22 VAL 36 1HG2 VAL 36 5.323 2.973 3.315
244 HG23 VAL 36 2HG2 VAL 36 3.792 3.281 2.567
245 H SER 37 H SER 37 4.636 4.410 8.304
246 HA SER 37 HA SER 37 2.602 5.512 9.012
247 HB2 SER 37 2HB SER 37 4.710 7.501 8.209
248 HB3 SER 37 1HB SER 37 3.555 7.625 9.528
249 HG SER 37 HG SER 37 5.954 6.361 9.439
250 HA PRO 38 HA PRO 38 -0.220 6.933 5.849
251 HB2 PRO 38 2HB PRO 38 -0.728 8.885 8.059
252 HB3 PRO 38 1HB PRO 38 -1.897 8.029 7.057
253 HG2 PRO 38 2HG PRO 38 -1.437 7.137 9.479
254 HG3 PRO 38 1HG PRO 38 -1.534 5.990 8.136
255 HD2 PRO 38 2HD PRO 38 0.888 6.938 9.615
256 HD3 PRO 38 1HD PRO 38 0.539 5.361 8.867
257 H GLU 39 H GLU 39 1.373 9.508 7.830
258 HA GLU 39 HA GLU 39 1.234 11.498 5.944
259 HB2 GLU 39 2HB GLU 39 3.281 11.049 8.091
260 HB3 GLU 39 1HB GLU 39 3.080 12.549 7.188
261 HG2 GLU 39 2HG GLU 39 1.049 11.274 8.977
262 HG3 GLU 39 1HG GLU 39 2.053 12.680 9.369
263 H MET 40 H MET 40 3.646 8.936 6.346
264 HA MET 40 HA MET 40 5.576 10.054 4.674
265 HB2 MET 40 2HB MET 40 5.092 7.190 5.595
266 HB3 MET 40 1HB MET 40 6.304 7.563 4.369
267 HG2 MET 40 2HG MET 40 6.150 8.661 7.155
268 HG3 MET 40 1HG MET 40 7.202 7.365 6.596
269 HE1 MET 40 3HE MET 40 9.555 9.313 4.078
270 HE2 MET 40 1HE MET 40 8.039 8.514 3.651
271 HE3 MET 40 2HE MET 40 9.146 7.738 4.779
272 H ALA 41 H ALA 41 3.002 7.773 3.922
273 HA ALA 41 HA ALA 41 3.662 7.792 1.123
274 HB1 ALA 41 1HB ALA 41 1.637 6.556 0.834
275 HB2 ALA 41 2HB ALA 41 1.314 6.781 2.566
276 HB3 ALA 41 3HB ALA 41 2.715 5.783 2.013
277 H GLU 42 H GLU 42 1.422 9.846 3.074
278 HA GLU 42 HA GLU 42 -0.048 10.401 0.671
279 HB2 GLU 42 2HB GLU 42 -0.413 11.153 3.552
280 HB3 GLU 42 1HB GLU 42 -1.431 11.795 2.260
281 HG2 GLU 42 2HG GLU 42 -2.161 9.480 1.806
282 HG3 GLU 42 1HG GLU 42 -1.166 8.922 3.149
283 H ASN 43 H ASN 43 2.674 11.456 2.204
284 HA ASN 43 HA ASN 43 2.173 14.255 1.434
285 HB2 ASN 43 2HB ASN 43 4.000 13.092 3.471
286 HB3 ASN 43 1HB ASN 43 4.385 14.624 2.724
287 HD21 ASN 43 1HD2 ASN 43 2.234 12.918 4.786
288 HD22 ASN 43 2HD2 ASN 43 1.433 14.269 5.521
289 H GLU 44 H GLU 44 4.692 11.785 1.124
290 HA GLU 44 HA GLU 44 5.680 13.308 -1.175
291 HB2 GLU 44 2HB GLU 44 7.332 12.025 0.993
292 HB3 GLU 44 1HB GLU 44 7.978 12.738 -0.478
293 HG2 GLU 44 2HG GLU 44 7.168 14.927 0.196
294 HG3 GLU 44 1HG GLU 44 6.428 14.213 1.624
295 H ASP 45 H ASP 45 6.669 12.018 -2.802
296 HA ASP 45 HA ASP 45 5.759 9.661 -3.597
297 HB2 ASP 45 2HB ASP 45 8.670 10.500 -3.779
298 HB3 ASP 45 1HB ASP 45 7.824 9.424 -4.859
299 H TYR 46 H TYR 46 5.939 7.564 -2.995
300 HA TYR 46 HA TYR 46 7.918 7.074 -0.912
301 HB2 TYR 46 2HB TYR 46 5.652 7.054 0.052
302 HB3 TYR 46 1HB TYR 46 5.222 5.726 -1.028
303 HD1 TYR 46 2HD TYR 46 7.713 6.657 1.593
304 HD2 TYR 46 1HD TYR 46 5.601 3.627 -0.386
305 HE1 TYR 46 2HE TYR 46 8.675 5.021 3.161
306 HE2 TYR 46 1HE TYR 46 6.556 1.904 1.159
307 HH TYR 46 HH TYR 46 8.488 1.663 2.620
308 H ILE 47 H ILE 47 9.217 5.912 -1.222
309 HA ILE 47 HA ILE 47 9.282 3.999 -3.495
310 HB ILE 47 HB ILE 47 11.638 5.166 -1.930
311 HG12 ILE 47 2HG1 ILE 47 12.261 6.191 -4.209
312 HG13 ILE 47 1HG1 ILE 47 10.675 5.684 -4.755
313 HG21 ILE 47 1HG2 ILE 47 12.190 2.892 -2.636
314 HG22 ILE 47 2HG2 ILE 47 13.114 4.073 -3.561
315 HG23 ILE 47 3HG2 ILE 47 11.711 3.297 -4.283
316 HD11 ILE 47 3HD1 ILE 47 10.688 8.035 -4.211
317 HD12 ILE 47 1HD1 ILE 47 11.214 7.667 -2.561
318 HD13 ILE 47 2HD1 ILE 47 9.627 7.143 -3.138
319 H CYS 48 H CYS 48 9.384 1.806 -3.155
320 HA CYS 48 HA CYS 48 9.209 0.925 -0.419
321 HB2 CYS 48 2HB CYS 48 8.720 -1.226 -1.219
322 HB3 CYS 48 1HB CYS 48 7.805 -0.190 -2.264
323 H ILE 49 H ILE 49 10.757 -1.227 0.198
324 HA ILE 49 HA ILE 49 13.261 -0.120 0.160
325 HB ILE 49 HB ILE 49 13.886 -2.051 1.458
326 HG12 ILE 49 2HG1 ILE 49 12.046 -3.349 2.222
327 HG13 ILE 49 1HG1 ILE 49 11.115 -3.032 0.763
328 HG21 ILE 49 1HG2 ILE 49 11.254 -0.879 2.003
329 HG22 ILE 49 2HG2 ILE 49 12.803 -0.144 2.456
330 HG23 ILE 49 3HG2 ILE 49 12.225 -1.642 3.269
331 HD11 ILE 49 3HD1 ILE 49 12.200 -5.216 0.507
332 HD12 ILE 49 1HD1 ILE 49 13.758 -4.532 0.981
333 HD13 ILE 49 2HD1 ILE 49 13.014 -4.074 -0.558
334 H ASN 50 H ASN 50 11.694 -2.232 -1.767
335 HA ASN 50 HA ASN 50 13.889 -3.700 -2.921
336 HB2 ASN 50 2HB ASN 50 11.104 -3.239 -3.992
337 HB3 ASN 50 1HB ASN 50 12.269 -4.291 -4.782
338 HD21 ASN 50 1HD2 ASN 50 12.771 -6.254 -3.844
339 HD22 ASN 50 2HD2 ASN 50 11.864 -6.954 -2.585
340 H CYS 51 H CYS 51 12.567 -0.643 -3.490
341 HA CYS 51 HA CYS 51 14.011 -0.345 -6.037
342 HB2 CYS 51 2HB CYS 51 11.763 1.294 -4.882
343 HB3 CYS 51 1HB CYS 51 12.609 1.696 -6.377
344 H ALA 52 H ALA 52 14.760 0.193 -2.816
345 HA ALA 52 HA ALA 52 15.503 2.911 -2.958
346 HB1 ALA 52 3HB ALA 52 16.487 2.475 -0.760
347 HB2 ALA 52 1HB ALA 52 16.240 0.748 -0.988
348 HB3 ALA 52 2HB ALA 52 14.855 1.837 -0.849
349 HA ALA 301 HA ALA 301 3.385 8.782 -4.435
350 HB1 ALA 301 2HB ALA 301 2.478 8.036 -1.650
351 HB2 ALA 301 3HB ALA 301 4.141 7.940 -2.255
352 HB3 ALA 301 1HB ALA 301 2.880 6.925 -2.957
353 H ARG 302 H ARG 302 1.505 6.989 -4.421
354 HA ARG 302 HA ARG 302 -1.021 8.489 -4.549
355 HB2 ARG 302 2HB ARG 302 0.013 7.825 -6.784
356 HB3 ARG 302 1HB ARG 302 -0.229 6.159 -6.295
357 HG2 ARG 302 2HG ARG 302 -2.609 6.452 -6.267
358 HG3 ARG 302 1HG ARG 302 -2.443 8.176 -6.580
359 HD2 ARG 302 2HD ARG 302 -1.360 7.680 -8.729
360 HD3 ARG 302 1HD ARG 302 -1.608 5.951 -8.426
361 HE ARG 302 HE ARG 302 -4.080 6.853 -8.268
362 HH11 ARG 302 1HH1 ARG 302 -1.565 7.656 -10.641
363 HH12 ARG 302 2HH1 ARG 302 -2.652 7.903 -11.924
364 HH21 ARG 302 1HH2 ARG 302 -5.606 7.198 -10.119
365 HH22 ARG 302 2HH2 ARG 302 -4.960 7.662 -11.592
366 H THR 303 H THR 303 -2.507 7.734 -3.140
367 HA THR 303 HA THR 303 -2.096 5.052 -2.055
368 HB THR 303 HB THR 303 -3.364 6.039 -0.076
369 HG1 THR 303 1HG THR 303 -3.303 8.369 0.009
370 HG21 THR 303 3HG2 THR 303 -1.341 7.114 0.830
371 HG22 THR 303 1HG2 THR 303 -0.698 7.250 -0.819
372 HG23 THR 303 2HG2 THR 303 -0.966 5.655 -0.116
373 H M3L 304 H M3L 304 -4.154 4.080 -1.186
374 HA M3L 304 HA M3L 304 -6.645 5.075 -2.258
375 HB2 M3L 304 1HB M3L 304 -6.034 3.869 -4.307
376 HB3 M3L 304 2HB M3L 304 -7.303 2.987 -3.411
377 HG2 M3L 304 1HG M3L 304 -5.737 1.517 -2.484
378 HG3 M3L 304 2HG M3L 304 -4.447 2.268 -3.449
379 HD2 M3L 304 1HD M3L 304 -6.791 0.684 -4.517
380 HD3 M3L 304 2HD M3L 304 -5.048 0.279 -4.531
381 HE2 M3L 304 1HE M3L 304 -4.571 2.156 -5.893
382 HE3 M3L 304 2HE M3L 304 -6.310 2.450 -6.024
383 HM11 M3L 304 1HM1 M3L 304 -4.885 -1.061 -5.946
384 HM12 M3L 304 2HM1 M3L 304 -3.660 -0.116 -6.719
385 HM13 M3L 304 3HM1 M3L 304 -4.644 -1.139 -7.660
386 HM21 M3L 304 1HM2 M3L 304 -4.477 2.189 -8.022
387 HM22 M3L 304 2HM2 M3L 304 -6.024 1.943 -8.749
388 HM23 M3L 304 3HM2 M3L 304 -4.748 0.801 -9.025
389 HM31 M3L 304 3HM3 M3L 304 -7.342 0.293 -8.222
390 HM32 M3L 304 1HM3 M3L 304 -7.693 0.603 -6.560
391 HM33 M3L 304 2HM3 M3L 304 -7.027 -0.915 -7.022
392 H GLN 305 H GLN 305 -8.403 3.424 -1.939
393 HA GLN 305 HA GLN 305 -8.063 1.710 0.349
394 HB2 GLN 305 2HB GLN 305 -9.617 4.226 0.420
395 HB3 GLN 305 1HB GLN 305 -10.409 2.828 1.118
396 HG2 GLN 305 2HG GLN 305 -8.597 2.493 2.634
397 HG3 GLN 305 1HG GLN 305 -7.679 3.815 1.925
398 HE21 GLN 305 1HE2 GLN 305 -8.266 5.908 2.422
399 HE22 GLN 305 2HE2 GLN 305 -9.405 6.311 3.650
400 H THR 306 H THR 306 -8.670 -0.064 -0.474
401 HA THR 306 HA THR 306 -10.732 -0.152 -2.513
402 HB THR 306 HB THR 306 -10.097 -2.548 -2.656
403 HG1 THR 306 1HG THR 306 -9.428 -2.482 -0.379
404 HG21 THR 306 3HG2 THR 306 -7.727 -0.631 -2.780
405 HG22 THR 306 1HG2 THR 306 -8.907 -0.873 -4.073
406 HG23 THR 306 2HG2 THR 306 -7.818 -2.173 -3.575
407 H ALA 307 H ALA 307 -12.781 -0.746 -2.110
408 HA ALA 307 HA ALA 307 -13.414 -1.862 0.511
409 HB1 ALA 307 1HB ALA 307 -15.246 -0.649 -1.587
410 HB2 ALA 307 2HB ALA 307 -14.638 0.172 -0.144
411 HB3 ALA 307 3HB ALA 307 -15.725 -1.197 0.027
412 H ARG 308 H ARG 308 -13.996 -3.902 0.721
413 HA ARG 308 HA ARG 308 -15.374 -5.413 -1.236
414 HB2 ARG 308 2HB ARG 308 -13.596 -7.097 -1.671
415 HB3 ARG 308 1HB ARG 308 -13.203 -5.535 -2.355
416 HG2 ARG 308 2HG ARG 308 -11.661 -5.115 -0.475
417 HG3 ARG 308 1HG ARG 308 -12.070 -6.708 0.176
418 HD2 ARG 308 2HD ARG 308 -9.987 -6.751 -1.088
419 HD3 ARG 308 1HD ARG 308 -11.216 -7.760 -1.841
420 HE ARG 308 HE ARG 308 -11.028 -5.055 -2.844
421 HH11 ARG 308 1HH1 ARG 308 -10.144 -8.467 -3.365
422 HH12 ARG 308 2HH1 ARG 308 -9.632 -8.199 -4.958
423 HH21 ARG 308 1HH2 ARG 308 -10.372 -4.759 -5.074
424 HH22 ARG 308 2HH2 ARG 308 -9.763 -6.113 -5.922
425 H LYS 309 H LYS 309 -15.219 -7.866 -0.455
426 HA LYS 309 HA LYS 309 -15.031 -7.843 2.477
427 HB2 LYS 309 2HB LYS 309 -17.289 -9.065 0.876
428 HB3 LYS 309 1HB LYS 309 -17.041 -9.331 2.585
429 HG2 LYS 309 2HG LYS 309 -17.314 -6.945 3.036
430 HG3 LYS 309 1HG LYS 309 -17.536 -6.657 1.312
431 HD2 LYS 309 2HD LYS 309 -19.565 -8.051 1.350
432 HD3 LYS 309 1HD LYS 309 -19.297 -8.361 3.062
433 HE2 LYS 309 2HE LYS 309 -19.509 -5.953 3.546
434 HE3 LYS 309 1HE LYS 309 -19.757 -5.639 1.845
435 HZ1 LYS 309 3HZ LYS 309 -21.786 -6.891 1.916
436 HZ2 LYS 309 1HZ LYS 309 -21.804 -5.674 3.082
437 HZ3 LYS 309 2HZ LYS 309 -21.547 -7.279 3.546
Start of MODEL 5
1 HA SER 1 HA SER 1 -7.335 -8.347 -0.489
2 HB2 SER 1 2HB SER 1 -6.972 -10.394 -1.936
3 HB3 SER 1 1HB SER 1 -8.285 -9.364 -2.494
4 HG SER 1 HG SER 1 -7.219 -9.017 -4.279
5 H VAL 2 H VAL 2 -4.764 -8.848 -2.863
6 HA VAL 2 HA VAL 2 -2.834 -8.793 -0.669
7 HB VAL 2 HB VAL 2 -2.582 -10.438 -3.196
8 HG11 VAL 2 1HG1 VAL 2 -0.974 -10.465 -0.650
9 HG12 VAL 2 2HG1 VAL 2 -0.443 -9.893 -2.220
10 HG13 VAL 2 3HG1 VAL 2 -0.781 -11.615 -1.975
11 HG21 VAL 2 3HG2 VAL 2 -4.438 -11.342 -1.959
12 HG22 VAL 2 1HG2 VAL 2 -3.501 -11.302 -0.467
13 HG23 VAL 2 2HG2 VAL 2 -3.049 -12.414 -1.764
14 H CYS 3 H CYS 3 -0.871 -7.721 -1.218
15 HA CYS 3 HA CYS 3 -0.897 -6.222 -3.749
16 HB2 CYS 3 2HB CYS 3 -0.113 -4.354 -2.642
17 HB3 CYS 3 1HB CYS 3 -1.191 -5.014 -1.400
18 H ALA 4 H ALA 4 1.502 -5.480 -3.955
19 HA ALA 4 HA ALA 4 3.016 -8.047 -3.754
20 HB1 ALA 4 1HB ALA 4 4.467 -7.355 -5.476
21 HB2 ALA 4 2HB ALA 4 3.743 -5.731 -5.404
22 HB3 ALA 4 3HB ALA 4 2.771 -7.107 -5.990
23 H ALA 5 H ALA 5 3.183 -6.680 -1.394
24 HA ALA 5 HA ALA 5 6.010 -6.135 -1.323
25 HB1 ALA 5 1HB ALA 5 4.415 -4.839 0.044
26 HB2 ALA 5 2HB ALA 5 5.698 -5.523 1.006
27 HB3 ALA 5 3HB ALA 5 4.092 -6.253 1.032
28 H GLN 6 H GLN 6 7.598 -7.278 -0.247
29 HA GLN 6 HA GLN 6 7.780 -10.036 -0.409
30 HB2 GLN 6 2HB GLN 6 9.216 -8.322 1.626
31 HB3 GLN 6 1HB GLN 6 9.674 -9.934 1.112
32 HG2 GLN 6 2HG GLN 6 10.071 -9.085 -1.150
33 HG3 GLN 6 1HG GLN 6 9.645 -7.469 -0.614
34 HE21 GLN 6 1HE2 GLN 6 12.168 -8.431 -1.682
35 HE22 GLN 6 2HE2 GLN 6 13.371 -8.095 -0.491
36 H ASN 7 H ASN 7 7.014 -8.293 2.579
37 HA ASN 7 HA ASN 7 6.015 -10.859 3.598
38 HB2 ASN 7 2HB ASN 7 7.969 -10.066 4.868
39 HB3 ASN 7 1HB ASN 7 7.146 -8.546 5.207
40 HD21 ASN 7 1HD2 ASN 7 5.592 -8.481 6.839
41 HD22 ASN 7 2HD2 ASN 7 5.343 -9.780 7.940
42 H CYS 8 H CYS 8 4.113 -10.224 2.339
43 HA CYS 8 HA CYS 8 2.618 -8.177 3.654
44 HB2 CYS 8 2HB CYS 8 2.782 -7.846 1.207
45 HB3 CYS 8 1HB CYS 8 2.211 -9.483 0.973
46 H GLN 9 H GLN 9 0.781 -8.483 4.253
47 HA GLN 9 HA GLN 9 -0.299 -11.206 4.766
48 HB2 GLN 9 2HB GLN 9 0.105 -10.002 6.856
49 HB3 GLN 9 1HB GLN 9 -0.948 -8.692 6.339
50 HG2 GLN 9 2HG GLN 9 -2.794 -10.217 6.263
51 HG3 GLN 9 1HG GLN 9 -1.773 -11.534 6.867
52 HE21 GLN 9 1HE2 GLN 9 -3.537 -8.670 7.613
53 HE22 GLN 9 2HE2 GLN 9 -3.365 -8.742 9.327
54 H ARG 10 H ARG 10 -2.593 -11.614 4.306
55 HA ARG 10 HA ARG 10 -3.795 -9.828 2.359
56 HB2 ARG 10 2HB ARG 10 -4.764 -12.557 3.233
57 HB3 ARG 10 1HB ARG 10 -5.096 -11.719 1.733
58 HG2 ARG 10 2HG ARG 10 -2.775 -12.133 1.020
59 HG3 ARG 10 1HG ARG 10 -2.473 -12.956 2.541
60 HD2 ARG 10 2HD ARG 10 -4.362 -14.557 1.952
61 HD3 ARG 10 1HD ARG 10 -4.397 -13.793 0.367
62 HE ARG 10 HE ARG 10 -1.814 -14.709 1.104
63 HH11 ARG 10 1HH1 ARG 10 -4.904 -15.774 -0.361
64 HH12 ARG 10 2HH1 ARG 10 -4.214 -17.104 -1.145
65 HH21 ARG 10 1HH2 ARG 10 -0.915 -16.627 -0.038
66 HH22 ARG 10 2HH2 ARG 10 -1.937 -17.604 -0.958
67 HA PRO 11 HA PRO 11 -6.369 -9.143 6.107
68 HB2 PRO 11 2HB PRO 11 -6.150 -6.515 6.210
69 HB3 PRO 11 1HB PRO 11 -4.748 -7.524 6.581
70 HG2 PRO 11 2HG PRO 11 -5.283 -5.876 4.167
71 HG3 PRO 11 1HG PRO 11 -3.727 -6.350 4.875
72 HD2 PRO 11 2HD PRO 11 -5.077 -7.661 2.647
73 HD3 PRO 11 1HD PRO 11 -3.573 -8.061 3.447
74 H CYS 12 H CYS 12 -7.867 -9.875 4.010
75 HA CYS 12 HA CYS 12 -9.007 -7.714 2.561
76 HB2 CYS 12 2HB CYS 12 -9.923 -10.586 2.657
77 HB3 CYS 12 1HB CYS 12 -10.398 -9.364 1.476
78 HG CYS 12 HG CYS 12 -7.118 -9.666 1.709
79 H LYS 13 H LYS 13 -9.552 -6.685 4.574
80 HA LYS 13 HA LYS 13 -12.349 -7.095 5.327
81 HB2 LYS 13 2HB LYS 13 -10.277 -5.145 6.309
82 HB3 LYS 13 1HB LYS 13 -11.966 -4.964 6.733
83 HG2 LYS 13 2HG LYS 13 -11.913 -7.220 7.762
84 HG3 LYS 13 1HG LYS 13 -10.189 -7.307 7.399
85 HD2 LYS 13 2HD LYS 13 -11.296 -4.997 8.891
86 HD3 LYS 13 1HD LYS 13 -10.931 -6.499 9.769
87 HE2 LYS 13 2HE LYS 13 -9.004 -4.870 8.075
88 HE3 LYS 13 1HE LYS 13 -9.149 -4.760 9.827
89 HZ1 LYS 13 3HZ LYS 13 -7.307 -6.228 9.200
90 HZ2 LYS 13 1HZ LYS 13 -8.365 -7.227 8.345
91 HZ3 LYS 13 2HZ LYS 13 -8.490 -7.059 10.011
92 H ASP 14 H ASP 14 -13.423 -4.669 5.574
93 HA ASP 14 HA ASP 14 -14.099 -4.021 2.892
94 HB2 ASP 14 2HB ASP 14 -14.798 -2.581 5.458
95 HB3 ASP 14 1HB ASP 14 -15.579 -2.347 3.899
96 H LYS 15 H LYS 15 -12.773 -1.803 5.517
97 HA LYS 15 HA LYS 15 -11.696 -0.111 3.488
98 HB2 LYS 15 2HB LYS 15 -11.544 -0.038 6.492
99 HB3 LYS 15 1HB LYS 15 -11.097 1.260 5.409
100 HG2 LYS 15 2HG LYS 15 -13.902 0.200 5.726
101 HG3 LYS 15 1HG LYS 15 -13.248 1.528 6.667
102 HD2 LYS 15 2HD LYS 15 -14.556 2.522 4.919
103 HD3 LYS 15 1HD LYS 15 -12.877 2.746 4.482
104 HE2 LYS 15 2HE LYS 15 -13.008 1.006 2.821
105 HE3 LYS 15 1HE LYS 15 -14.636 0.555 3.339
106 HZ1 LYS 15 3HZ LYS 15 -13.859 3.175 2.154
107 HZ2 LYS 15 1HZ LYS 15 -15.384 2.724 2.655
108 HZ3 LYS 15 2HZ LYS 15 -14.710 1.945 1.350
109 H VAL 16 H VAL 16 -9.889 -1.111 2.567
110 HA VAL 16 HA VAL 16 -7.741 -1.550 4.485
111 HB VAL 16 HB VAL 16 -6.714 -3.266 3.063
112 HG11 VAL 16 1HG1 VAL 16 -8.333 -5.061 3.430
113 HG12 VAL 16 2HG1 VAL 16 -9.579 -3.860 3.733
114 HG13 VAL 16 3HG1 VAL 16 -8.195 -3.992 4.827
115 HG21 VAL 16 3HG2 VAL 16 -7.532 -2.567 0.926
116 HG22 VAL 16 1HG2 VAL 16 -9.185 -2.991 1.376
117 HG23 VAL 16 2HG2 VAL 16 -7.960 -4.274 1.188
118 H ASP 17 H ASP 17 -5.714 -0.749 3.971
119 HA ASP 17 HA ASP 17 -5.873 1.530 2.144
120 HB2 ASP 17 2HB ASP 17 -3.978 1.015 4.448
121 HB3 ASP 17 1HB ASP 17 -4.104 2.480 3.493
122 H TRP 18 H TRP 18 -4.411 1.952 0.682
123 HA TRP 18 HA TRP 18 -2.217 -0.005 0.122
124 HB2 TRP 18 2HB TRP 18 -3.951 1.417 -1.855
125 HB3 TRP 18 1HB TRP 18 -2.644 0.349 -2.299
126 HD1 TRP 18 HD TRP 18 -5.983 0.214 -0.426
127 HE1 TRP 18 1HE TRP 18 -7.128 -2.088 -0.949
128 HE3 TRP 18 3HE TRP 18 -2.442 -1.785 -3.331
129 HZ2 TRP 18 2HZ TRP 18 -6.569 -4.368 -2.441
130 HZ3 TRP 18 3HZ TRP 18 -2.770 -4.018 -4.334
131 HH2 TRP 18 HH TRP 18 -4.793 -5.267 -3.914
132 H VAL 19 H VAL 19 -0.369 0.962 -1.298
133 HA VAL 19 HA VAL 19 -0.141 3.886 -1.344
134 HB VAL 19 HB VAL 19 2.105 2.038 -0.797
135 HG11 VAL 19 1HG1 VAL 19 2.781 4.122 -1.585
136 HG12 VAL 19 2HG1 VAL 19 3.255 4.016 0.114
137 HG13 VAL 19 3HG1 VAL 19 1.836 4.968 -0.361
138 HG21 VAL 19 3HG2 VAL 19 0.608 3.375 1.435
139 HG22 VAL 19 1HG2 VAL 19 2.168 2.540 1.528
140 HG23 VAL 19 2HG2 VAL 19 0.723 1.628 1.079
141 H GLN 20 H GLN 20 0.781 4.343 -3.319
142 HA GLN 20 HA GLN 20 1.966 2.077 -4.798
143 HB2 GLN 20 2HB GLN 20 0.245 3.920 -5.775
144 HB3 GLN 20 1HB GLN 20 1.776 4.647 -6.225
145 HG2 GLN 20 2HG GLN 20 2.502 2.580 -7.315
146 HG3 GLN 20 1HG GLN 20 0.977 1.827 -6.892
147 HE21 GLN 20 1HE2 GLN 20 2.038 2.056 -9.462
148 HE22 GLN 20 2HE2 GLN 20 0.947 3.011 -10.395
149 H CYS 21 H CYS 21 4.156 2.011 -5.445
150 HA CYS 21 HA CYS 21 5.944 3.722 -4.013
151 HB2 CYS 21 2HB CYS 21 6.099 1.150 -4.572
152 HB3 CYS 21 1HB CYS 21 6.530 1.722 -6.121
153 H ASP 22 H ASP 22 7.151 5.322 -4.911
154 HA ASP 22 HA ASP 22 6.798 6.033 -7.774
155 HB2 ASP 22 2HB ASP 22 7.729 7.709 -5.432
156 HB3 ASP 22 1HB ASP 22 7.692 8.273 -7.096
157 H GLY 23 H GLY 23 8.825 4.079 -6.401
158 HA2 GLY 23 2HA GLY 23 11.290 5.502 -7.102
159 HA3 GLY 23 1HA GLY 23 11.184 4.132 -6.014
160 H GLY 24 H GLY 24 9.264 3.611 -8.685
161 HA2 GLY 24 2HA GLY 24 10.328 3.027 -10.900
162 HA3 GLY 24 1HA GLY 24 11.481 2.125 -9.944
163 H CYS 25 H CYS 25 9.539 0.862 -8.164
164 HA CYS 25 HA CYS 25 8.829 -1.217 -10.048
165 HB2 CYS 25 2HB CYS 25 8.025 -2.593 -8.228
166 HB3 CYS 25 1HB CYS 25 9.553 -1.873 -7.742
167 H ASP 26 H ASP 26 7.196 1.550 -8.981
168 HA ASP 26 HA ASP 26 5.040 2.209 -8.825
169 HB2 ASP 26 2HB ASP 26 5.388 0.976 -11.527
170 HB3 ASP 26 1HB ASP 26 3.929 1.877 -11.126
171 H GLU 27 H GLU 27 5.282 -0.392 -7.648
172 HA GLU 27 HA GLU 27 2.744 -1.587 -8.377
173 HB2 GLU 27 2HB GLU 27 4.965 -2.688 -6.653
174 HB3 GLU 27 1HB GLU 27 3.415 -3.476 -6.891
175 HG2 GLU 27 2HG GLU 27 3.885 -3.477 -9.341
176 HG3 GLU 27 1HG GLU 27 5.502 -2.900 -8.982
177 H TRP 28 H TRP 28 1.362 -2.303 -6.631
178 HA TRP 28 HA TRP 28 1.124 -0.125 -4.701
179 HB2 TRP 28 2HB TRP 28 -0.913 -2.124 -5.671
180 HB3 TRP 28 1HB TRP 28 -1.159 -1.001 -4.344
181 HD1 TRP 28 HD TRP 28 -1.060 -1.069 -8.215
182 HE1 TRP 28 1HE TRP 28 -2.056 1.090 -9.060
183 HE3 TRP 28 3HE TRP 28 -1.376 1.445 -3.761
184 HZ2 TRP 28 2HZ TRP 28 -2.874 3.550 -8.023
185 HZ3 TRP 28 3HZ TRP 28 -2.287 3.716 -3.788
186 HH2 TRP 28 HH TRP 28 -3.031 4.753 -5.883
187 H PHE 29 H PHE 29 1.159 -0.425 -2.628
188 HA PHE 29 HA PHE 29 1.488 -3.171 -1.466
189 HB2 PHE 29 2HB PHE 29 2.486 -0.746 -0.106
190 HB3 PHE 29 1HB PHE 29 3.002 -2.400 0.036
191 HD1 PHE 29 2HD PHE 29 4.392 -3.346 -2.021
192 HD2 PHE 29 1HD PHE 29 3.610 0.805 -1.232
193 HE1 PHE 29 2HE PHE 29 6.367 -2.686 -3.296
194 HE2 PHE 29 1HE PHE 29 5.524 1.409 -2.451
195 HZ PHE 29 HZ PHE 29 6.936 -0.246 -3.482
196 H HIS 30 H HIS 30 1.036 -3.098 0.926
197 HA HIS 30 HA HIS 30 -1.234 -1.269 1.551
198 HB2 HIS 30 2HB HIS 30 -0.237 -3.666 3.111
199 HB3 HIS 30 1HB HIS 30 -1.593 -2.661 3.589
200 HD2 HIS 30 2HD HIS 30 -3.995 -3.300 2.277
201 HE1 HIS 30 1HE HIS 30 -2.492 -7.007 0.815
202 HE2 HIS 30 2HE HIS 30 -4.511 -5.470 0.935
203 H GLN 31 H GLN 31 -0.915 0.210 3.231
204 HA GLN 31 HA GLN 31 1.460 1.360 3.813
205 HB2 GLN 31 2HB GLN 31 -0.831 1.088 5.776
206 HB3 GLN 31 1HB GLN 31 0.421 2.340 5.694
207 HG2 GLN 31 2HG GLN 31 -0.955 1.941 3.277
208 HG3 GLN 31 1HG GLN 31 -2.087 2.554 4.542
209 HE21 GLN 31 1HE2 GLN 31 -1.457 3.911 2.145
210 HE22 GLN 31 2HE2 GLN 31 -0.490 5.281 2.542
211 H VAL 32 H VAL 32 -0.200 -1.122 5.840
212 HA VAL 32 HA VAL 32 1.796 -1.089 7.829
213 HB VAL 32 HB VAL 32 0.541 -2.945 8.831
214 HG11 VAL 32 1HG1 VAL 32 -1.536 -1.732 9.237
215 HG12 VAL 32 2HG1 VAL 32 -1.230 -0.730 7.820
216 HG13 VAL 32 3HG1 VAL 32 -0.156 -0.615 9.220
217 HG21 VAL 32 3HG2 VAL 32 -0.123 -4.070 6.737
218 HG22 VAL 32 1HG2 VAL 32 -1.209 -2.739 6.384
219 HG23 VAL 32 2HG2 VAL 32 -1.516 -3.784 7.781
220 H CYS 33 H CYS 33 1.444 -3.016 4.888
221 HA CYS 33 HA CYS 33 3.087 -5.131 6.002
222 HB2 CYS 33 2HB CYS 33 2.704 -6.288 3.816
223 HB3 CYS 33 1HB CYS 33 1.154 -5.713 4.453
224 H VAL 34 H VAL 34 3.515 -2.205 4.058
225 HA VAL 34 HA VAL 34 6.114 -3.125 3.309
226 HB VAL 34 HB VAL 34 4.437 -2.368 1.540
227 HG11 VAL 34 1HG1 VAL 34 4.908 0.259 2.786
228 HG12 VAL 34 2HG1 VAL 34 3.323 -0.534 2.653
229 HG13 VAL 34 3HG1 VAL 34 4.182 0.033 1.218
230 HG21 VAL 34 3HG2 VAL 34 6.939 -0.862 1.862
231 HG22 VAL 34 1HG2 VAL 34 6.058 -1.086 0.318
232 HG23 VAL 34 2HG2 VAL 34 6.725 -2.505 1.203
233 H GLY 35 H GLY 35 5.045 -1.954 5.937
234 HA2 GLY 35 2HA GLY 35 5.688 -0.518 7.603
235 HA3 GLY 35 1HA GLY 35 7.235 -0.526 6.802
236 H VAL 36 H VAL 36 4.092 0.955 5.868
237 HA VAL 36 HA VAL 36 5.460 3.563 5.574
238 HB VAL 36 HB VAL 36 2.662 2.741 4.699
239 HG11 VAL 36 1HG1 VAL 36 2.939 5.179 5.053
240 HG12 VAL 36 2HG1 VAL 36 2.512 4.554 3.460
241 HG13 VAL 36 3HG1 VAL 36 4.163 5.107 3.719
242 HG21 VAL 36 3HG2 VAL 36 3.708 3.335 2.511
243 HG22 VAL 36 1HG2 VAL 36 3.769 1.660 3.158
244 HG23 VAL 36 2HG2 VAL 36 5.192 2.760 3.312
245 H SER 37 H SER 37 4.487 5.565 6.783
246 HA SER 37 HA SER 37 2.417 4.839 8.494
247 HB2 SER 37 2HB SER 37 3.231 7.029 9.559
248 HB3 SER 37 1HB SER 37 4.353 5.684 9.708
249 HG SER 37 HG SER 37 5.474 7.487 9.009
250 HA PRO 38 HA PRO 38 -0.338 6.676 5.508
251 HB2 PRO 38 2HB PRO 38 -1.455 8.478 7.484
252 HB3 PRO 38 1HB PRO 38 -2.195 7.050 6.754
253 HG2 PRO 38 2HG PRO 38 -0.832 7.331 9.339
254 HG3 PRO 38 1HG PRO 38 -1.927 6.051 8.781
255 HD2 PRO 38 2HD PRO 38 0.714 5.633 9.167
256 HD3 PRO 38 1HD PRO 38 -0.202 4.805 7.893
257 H GLU 39 H GLU 39 1.023 8.992 7.764
258 HA GLU 39 HA GLU 39 0.601 11.311 6.239
259 HB2 GLU 39 2HB GLU 39 1.071 11.397 8.614
260 HB3 GLU 39 1HB GLU 39 2.696 10.785 8.343
261 HG2 GLU 39 2HG GLU 39 3.182 12.831 7.019
262 HG3 GLU 39 1HG GLU 39 1.582 13.437 7.465
263 H MET 40 H MET 40 3.224 9.030 6.245
264 HA MET 40 HA MET 40 5.007 10.832 4.854
265 HB2 MET 40 2HB MET 40 5.391 7.900 5.484
266 HB3 MET 40 1HB MET 40 6.567 8.869 4.619
267 HG2 MET 40 2HG MET 40 5.620 9.348 7.439
268 HG3 MET 40 1HG MET 40 7.175 8.675 6.958
269 HE1 MET 40 3HE MET 40 8.911 11.760 5.252
270 HE2 MET 40 1HE MET 40 7.952 10.523 4.432
271 HE3 MET 40 2HE MET 40 9.068 10.051 5.714
272 H ALA 41 H ALA 41 3.169 7.923 3.923
273 HA ALA 41 HA ALA 41 4.037 7.974 1.244
274 HB1 ALA 41 1HB ALA 41 3.041 5.981 2.192
275 HB2 ALA 41 2HB ALA 41 2.083 6.598 0.822
276 HB3 ALA 41 3HB ALA 41 1.583 6.955 2.485
277 H GLU 42 H GLU 42 1.401 9.748 2.861
278 HA GLU 42 HA GLU 42 0.191 10.292 0.319
279 HB2 GLU 42 2HB GLU 42 -0.385 11.248 3.087
280 HB3 GLU 42 1HB GLU 42 -1.380 11.674 1.691
281 HG2 GLU 42 2HG GLU 42 -1.817 9.262 1.374
282 HG3 GLU 42 1HG GLU 42 -0.928 8.930 2.851
283 H ASN 43 H ASN 43 2.462 11.639 2.359
284 HA ASN 43 HA ASN 43 2.155 14.288 1.193
285 HB2 ASN 43 2HB ASN 43 3.685 13.387 3.561
286 HB3 ASN 43 1HB ASN 43 4.048 14.920 2.806
287 HD21 ASN 43 1HD2 ASN 43 1.733 13.117 4.623
288 HD22 ASN 43 2HD2 ASN 43 0.676 14.446 5.008
289 H GLU 44 H GLU 44 4.550 11.758 1.069
290 HA GLU 44 HA GLU 44 5.939 13.384 -0.954
291 HB2 GLU 44 2HB GLU 44 7.296 11.876 1.282
292 HB3 GLU 44 1HB GLU 44 8.112 12.382 -0.186
293 HG2 GLU 44 2HG GLU 44 6.747 14.197 1.744
294 HG3 GLU 44 1HG GLU 44 8.494 13.910 1.718
295 H ASP 45 H ASP 45 7.382 12.142 -2.316
296 HA ASP 45 HA ASP 45 6.176 9.978 -3.585
297 HB2 ASP 45 2HB ASP 45 9.160 10.564 -3.469
298 HB3 ASP 45 1HB ASP 45 8.316 9.684 -4.732
299 H TYR 46 H TYR 46 6.181 7.822 -3.110
300 HA TYR 46 HA TYR 46 7.824 7.213 -0.789
301 HB2 TYR 46 2HB TYR 46 5.399 7.242 -0.179
302 HB3 TYR 46 1HB TYR 46 5.173 5.844 -1.252
303 HD1 TYR 46 2HD TYR 46 7.121 7.034 1.655
304 HD2 TYR 46 1HD TYR 46 5.660 3.732 -0.508
305 HE1 TYR 46 2HE TYR 46 8.058 5.559 3.360
306 HE2 TYR 46 1HE TYR 46 6.597 2.175 1.077
307 HH TYR 46 HH TYR 46 8.420 2.240 2.934
308 H ILE 47 H ILE 47 8.880 5.727 -0.722
309 HA ILE 47 HA ILE 47 9.223 3.990 -3.086
310 HB ILE 47 HB ILE 47 11.413 5.549 -1.760
311 HG12 ILE 47 2HG1 ILE 47 10.255 5.536 -4.536
312 HG13 ILE 47 1HG1 ILE 47 9.734 6.603 -3.251
313 HG21 ILE 47 1HG2 ILE 47 11.588 3.595 -4.070
314 HG22 ILE 47 2HG2 ILE 47 12.230 3.263 -2.455
315 HG23 ILE 47 3HG2 ILE 47 12.908 4.560 -3.430
316 HD11 ILE 47 3HD1 ILE 47 12.422 6.416 -4.438
317 HD12 ILE 47 1HD1 ILE 47 11.845 7.496 -3.116
318 HD13 ILE 47 2HD1 ILE 47 11.095 7.604 -4.749
319 H CYS 48 H CYS 48 9.384 1.958 -2.750
320 HA CYS 48 HA CYS 48 9.510 0.871 -0.086
321 HB2 CYS 48 2HB CYS 48 9.019 -1.210 -1.011
322 HB3 CYS 48 1HB CYS 48 8.068 -0.077 -1.942
323 H ILE 49 H ILE 49 11.024 -1.151 0.281
324 HA ILE 49 HA ILE 49 13.586 -0.165 0.146
325 HB ILE 49 HB ILE 49 14.199 -2.174 1.344
326 HG12 ILE 49 2HG1 ILE 49 12.302 -3.287 2.279
327 HG13 ILE 49 1HG1 ILE 49 11.299 -2.864 0.909
328 HG21 ILE 49 1HG2 ILE 49 11.736 -0.764 2.061
329 HG22 ILE 49 2HG2 ILE 49 13.366 -0.141 2.386
330 HG23 ILE 49 3HG2 ILE 49 12.732 -1.549 3.294
331 HD11 ILE 49 3HD1 ILE 49 13.803 -4.593 0.845
332 HD12 ILE 49 1HD1 ILE 49 12.922 -4.063 -0.593
333 HD13 ILE 49 2HD1 ILE 49 12.151 -5.149 0.579
334 H ASN 50 H ASN 50 11.828 -2.060 -1.783
335 HA ASN 50 HA ASN 50 13.918 -3.517 -3.194
336 HB2 ASN 50 2HB ASN 50 11.115 -2.869 -4.163
337 HB3 ASN 50 1HB ASN 50 12.230 -3.921 -4.989
338 HD21 ASN 50 1HD2 ASN 50 9.574 -4.462 -3.961
339 HD22 ASN 50 2HD2 ASN 50 9.762 -5.793 -2.882
340 H CYS 51 H CYS 51 12.614 -0.360 -3.373
341 HA CYS 51 HA CYS 51 14.016 0.143 -5.909
342 HB2 CYS 51 2HB CYS 51 11.778 1.692 -4.608
343 HB3 CYS 51 1HB CYS 51 12.565 2.198 -6.109
344 H ALA 52 H ALA 52 14.439 0.450 -2.725
345 HA ALA 52 HA ALA 52 15.399 3.054 -2.278
346 HB1 ALA 52 3HB ALA 52 16.377 0.526 -0.963
347 HB2 ALA 52 1HB ALA 52 14.963 1.450 -0.472
348 HB3 ALA 52 2HB ALA 52 16.579 2.154 -0.329
349 HA ALA 301 HA ALA 301 3.093 8.891 -4.739
350 HB1 ALA 301 2HB ALA 301 2.790 7.116 -3.125
351 HB2 ALA 301 3HB ALA 301 2.766 8.286 -1.802
352 HB3 ALA 301 1HB ALA 301 4.243 8.031 -2.729
353 H ARG 302 H ARG 302 1.123 7.315 -4.230
354 HA ARG 302 HA ARG 302 -1.246 8.939 -3.751
355 HB2 ARG 302 2HB ARG 302 -0.843 8.851 -6.160
356 HB3 ARG 302 1HB ARG 302 -0.797 7.094 -6.100
357 HG2 ARG 302 2HG ARG 302 -3.153 7.046 -5.442
358 HG3 ARG 302 1HG ARG 302 -3.197 8.810 -5.483
359 HD2 ARG 302 2HD ARG 302 -4.109 7.830 -7.530
360 HD3 ARG 302 1HD ARG 302 -2.675 8.798 -7.840
361 HE ARG 302 HE ARG 302 -1.631 6.355 -7.568
362 HH11 ARG 302 1HH1 ARG 302 -4.323 7.550 -9.523
363 HH12 ARG 302 2HH1 ARG 302 -4.094 6.465 -10.789
364 HH21 ARG 302 1HH2 ARG 302 -1.296 4.835 -9.309
365 HH22 ARG 302 2HH2 ARG 302 -2.328 4.865 -10.664
366 H THR 303 H THR 303 -2.653 7.937 -2.443
367 HA THR 303 HA THR 303 -2.176 5.144 -1.854
368 HB THR 303 HB THR 303 -3.365 5.822 0.315
369 HG1 THR 303 1HG THR 303 -3.360 8.100 0.699
370 HG21 THR 303 3HG2 THR 303 -1.297 6.711 1.253
371 HG22 THR 303 1HG2 THR 303 -0.740 7.154 -0.380
372 HG23 THR 303 2HG2 THR 303 -0.976 5.457 0.045
373 H M3L 304 H M3L 304 -4.297 4.136 -0.935
374 HA M3L 304 HA M3L 304 -6.832 5.100 -1.966
375 HB2 M3L 304 1HB M3L 304 -5.935 4.273 -4.093
376 HB3 M3L 304 2HB M3L 304 -7.215 3.172 -3.539
377 HG2 M3L 304 1HG M3L 304 -5.636 1.680 -2.666
378 HG3 M3L 304 2HG M3L 304 -4.312 2.782 -3.097
379 HD2 M3L 304 1HD M3L 304 -4.220 1.165 -4.705
380 HD3 M3L 304 2HD M3L 304 -4.976 2.580 -5.412
381 HE2 M3L 304 1HE M3L 304 -7.154 1.574 -5.333
382 HE3 M3L 304 2HE M3L 304 -6.482 0.201 -4.440
383 HM11 M3L 304 1HM1 M3L 304 -3.892 -0.084 -6.154
384 HM12 M3L 304 2HM1 M3L 304 -4.517 -1.119 -7.358
385 HM13 M3L 304 3HM1 M3L 304 -4.881 -1.437 -5.701
386 HM21 M3L 304 1HM2 M3L 304 -6.294 2.226 -7.390
387 HM22 M3L 304 2HM2 M3L 304 -6.027 0.989 -8.580
388 HM23 M3L 304 3HM2 M3L 304 -4.712 1.590 -7.652
389 HM31 M3L 304 3HM3 M3L 304 -7.488 -1.172 -6.112
390 HM32 M3L 304 1HM3 M3L 304 -6.787 -1.362 -7.679
391 HM33 M3L 304 2HM3 M3L 304 -7.913 -0.078 -7.381
392 H GLN 305 H GLN 305 -8.541 3.355 -1.750
393 HA GLN 305 HA GLN 305 -7.929 1.250 0.162
394 HB2 GLN 305 2HB GLN 305 -10.180 3.267 0.429
395 HB3 GLN 305 1HB GLN 305 -10.130 1.766 1.327
396 HG2 GLN 305 2HG GLN 305 -8.091 2.494 2.423
397 HG3 GLN 305 1HG GLN 305 -8.124 4.006 1.534
398 HE21 GLN 305 1HE2 GLN 305 -9.743 5.521 2.022
399 HE22 GLN 305 2HE2 GLN 305 -10.625 5.449 3.504
400 H THR 306 H THR 306 -8.926 -0.608 -0.406
401 HA THR 306 HA THR 306 -10.778 -0.418 -2.689
402 HB THR 306 HB THR 306 -10.163 -2.772 -3.237
403 HG1 THR 306 1HG THR 306 -9.501 -3.031 -0.935
404 HG21 THR 306 3HG2 THR 306 -7.739 -0.948 -2.980
405 HG22 THR 306 1HG2 THR 306 -8.883 -0.925 -4.316
406 HG23 THR 306 2HG2 THR 306 -7.842 -2.325 -4.028
407 H ALA 307 H ALA 307 -12.830 -0.586 -2.062
408 HA ALA 307 HA ALA 307 -13.661 -1.854 0.354
409 HB1 ALA 307 1HB ALA 307 -14.895 0.017 -0.620
410 HB2 ALA 307 2HB ALA 307 -15.939 -1.404 -0.473
411 HB3 ALA 307 3HB ALA 307 -15.283 -0.958 -2.039
412 H ARG 308 H ARG 308 -14.421 -3.909 0.666
413 HA ARG 308 HA ARG 308 -14.469 -5.657 -1.691
414 HB2 ARG 308 2HB ARG 308 -13.589 -6.345 1.128
415 HB3 ARG 308 1HB ARG 308 -13.663 -7.473 -0.211
416 HG2 ARG 308 2HG ARG 308 -11.874 -5.051 -0.074
417 HG3 ARG 308 1HG ARG 308 -11.366 -6.727 0.185
418 HD2 ARG 308 2HD ARG 308 -11.923 -7.291 -2.099
419 HD3 ARG 308 1HD ARG 308 -12.608 -5.697 -2.379
420 HE ARG 308 HE ARG 308 -10.020 -5.295 -1.588
421 HH11 ARG 308 1HH1 ARG 308 -11.597 -7.016 -4.254
422 HH12 ARG 308 2HH1 ARG 308 -10.376 -6.706 -5.383
423 HH21 ARG 308 1HH2 ARG 308 -8.326 -4.835 -3.183
424 HH22 ARG 308 2HH2 ARG 308 -8.489 -5.438 -4.770
425 H LYS 309 H LYS 309 -15.944 -7.438 -1.597
426 HA LYS 309 HA LYS 309 -18.443 -6.560 -0.419
427 HB2 LYS 309 2HB LYS 309 -19.460 -8.434 -1.651
428 HB3 LYS 309 1HB LYS 309 -18.521 -7.364 -2.681
429 HG2 LYS 309 2HG LYS 309 -16.683 -9.018 -2.661
430 HG3 LYS 309 1HG LYS 309 -17.679 -10.076 -1.659
431 HD2 LYS 309 2HD LYS 309 -19.362 -10.166 -3.412
432 HD3 LYS 309 1HD LYS 309 -18.384 -9.109 -4.429
433 HE2 LYS 309 2HE LYS 309 -16.596 -10.808 -4.463
434 HE3 LYS 309 1HE LYS 309 -17.579 -11.838 -3.430
435 HZ1 LYS 309 3HZ LYS 309 -18.268 -11.028 -6.225
436 HZ2 LYS 309 1HZ LYS 309 -19.239 -11.975 -5.212
437 HZ3 LYS 309 2HZ LYS 309 -17.738 -12.530 -5.703
Start of MODEL 6
1 HA SER 1 HA SER 1 -6.639 -7.961 -1.417
2 HB2 SER 1 2HB SER 1 -6.120 -10.752 -2.498
3 HB3 SER 1 1HB SER 1 -6.609 -10.380 -0.840
4 HG SER 1 HG SER 1 -8.214 -10.861 -2.801
5 H VAL 2 H VAL 2 -4.011 -9.203 -3.350
6 HA VAL 2 HA VAL 2 -2.245 -8.934 -1.067
7 HB VAL 2 HB VAL 2 -1.648 -10.399 -3.669
8 HG11 VAL 2 1HG1 VAL 2 -0.180 -10.459 -1.044
9 HG12 VAL 2 2HG1 VAL 2 0.348 -9.710 -2.547
10 HG13 VAL 2 3HG1 VAL 2 0.190 -11.457 -2.450
11 HG21 VAL 2 3HG2 VAL 2 -1.997 -12.497 -2.499
12 HG22 VAL 2 1HG2 VAL 2 -3.477 -11.533 -2.531
13 HG23 VAL 2 2HG2 VAL 2 -2.490 -11.615 -1.060
14 H CYS 3 H CYS 3 -0.366 -7.668 -1.418
15 HA CYS 3 HA CYS 3 -0.396 -5.877 -3.741
16 HB2 CYS 3 2HB CYS 3 0.465 -4.267 -2.315
17 HB3 CYS 3 1HB CYS 3 -0.665 -5.107 -1.258
18 H ALA 4 H ALA 4 2.064 -5.204 -3.925
19 HA ALA 4 HA ALA 4 3.483 -7.815 -3.751
20 HB1 ALA 4 1HB ALA 4 4.985 -7.219 -5.479
21 HB2 ALA 4 2HB ALA 4 4.284 -5.586 -5.530
22 HB3 ALA 4 3HB ALA 4 3.315 -6.985 -6.021
23 H ALA 5 H ALA 5 3.598 -6.566 -1.503
24 HA ALA 5 HA ALA 5 6.429 -6.043 -1.238
25 HB1 ALA 5 1HB ALA 5 6.025 -5.786 1.182
26 HB2 ALA 5 2HB ALA 5 4.379 -6.364 1.000
27 HB3 ALA 5 3HB ALA 5 4.880 -4.856 0.238
28 H GLN 6 H GLN 6 7.986 -7.349 -0.560
29 HA GLN 6 HA GLN 6 8.182 -9.983 -1.040
30 HB2 GLN 6 2HB GLN 6 10.092 -8.582 -0.561
31 HB3 GLN 6 1HB GLN 6 9.608 -8.410 1.103
32 HG2 GLN 6 2HG GLN 6 10.042 -10.768 1.487
33 HG3 GLN 6 1HG GLN 6 10.501 -10.957 -0.205
34 HE21 GLN 6 1HE2 GLN 6 11.411 -9.599 2.879
35 HE22 GLN 6 2HE2 GLN 6 13.043 -9.238 2.453
36 H ASN 7 H ASN 7 7.493 -8.787 2.226
37 HA ASN 7 HA ASN 7 6.329 -11.449 2.747
38 HB2 ASN 7 2HB ASN 7 8.503 -11.118 3.996
39 HB3 ASN 7 1HB ASN 7 7.739 -9.793 4.863
40 HD21 ASN 7 1HD2 ASN 7 8.910 -12.342 5.796
41 HD22 ASN 7 2HD2 ASN 7 7.665 -13.103 6.718
42 H CYS 8 H CYS 8 4.447 -10.500 1.973
43 HA CYS 8 HA CYS 8 3.266 -8.572 3.762
44 HB2 CYS 8 2HB CYS 8 3.130 -7.910 1.418
45 HB3 CYS 8 1HB CYS 8 2.357 -9.448 1.038
46 H GLN 9 H GLN 9 1.343 -8.728 4.465
47 HA GLN 9 HA GLN 9 -0.012 -11.371 4.835
48 HB2 GLN 9 2HB GLN 9 -0.285 -8.939 6.618
49 HB3 GLN 9 1HB GLN 9 -1.129 -10.456 6.845
50 HG2 GLN 9 2HG GLN 9 0.991 -11.591 7.221
51 HG3 GLN 9 1HG GLN 9 1.849 -10.064 6.986
52 HE21 GLN 9 1HE2 GLN 9 1.737 -11.831 9.319
53 HE22 GLN 9 2HE2 GLN 9 1.173 -10.840 10.614
54 H ARG 10 H ARG 10 -2.276 -11.597 4.252
55 HA ARG 10 HA ARG 10 -3.351 -9.538 2.644
56 HB2 ARG 10 2HB ARG 10 -4.109 -12.402 3.224
57 HB3 ARG 10 1HB ARG 10 -5.116 -11.323 2.267
58 HG2 ARG 10 2HG ARG 10 -3.393 -11.083 0.634
59 HG3 ARG 10 1HG ARG 10 -2.270 -12.055 1.600
60 HD2 ARG 10 2HD ARG 10 -4.909 -13.079 0.524
61 HD3 ARG 10 1HD ARG 10 -3.383 -13.279 -0.308
62 HE ARG 10 HE ARG 10 -3.117 -14.228 2.299
63 HH11 ARG 10 1HH1 ARG 10 -4.869 -15.110 -0.683
64 HH12 ARG 10 2HH1 ARG 10 -4.738 -16.789 -0.400
65 HH21 ARG 10 1HH2 ARG 10 -2.978 -16.558 2.617
66 HH22 ARG 10 2HH2 ARG 10 -3.648 -17.627 1.491
67 HA PRO 11 HA PRO 11 -5.567 -8.359 6.379
68 HB2 PRO 11 2HB PRO 11 -6.590 -6.022 5.401
69 HB3 PRO 11 1HB PRO 11 -4.935 -6.182 5.993
70 HG2 PRO 11 2HG PRO 11 -5.929 -6.186 3.166
71 HG3 PRO 11 1HG PRO 11 -4.468 -5.446 3.835
72 HD2 PRO 11 2HD PRO 11 -4.376 -7.816 2.463
73 HD3 PRO 11 1HD PRO 11 -3.284 -7.383 3.777
74 H CYS 12 H CYS 12 -7.308 -7.351 3.453
75 HA CYS 12 HA CYS 12 -9.375 -7.533 2.720
76 HB2 CYS 12 2HB CYS 12 -9.194 -10.293 3.934
77 HB3 CYS 12 1HB CYS 12 -10.466 -9.772 2.820
78 HG CYS 12 HG CYS 12 -7.793 -11.210 2.032
79 H LYS 13 H LYS 13 -10.949 -6.294 3.430
80 HA LYS 13 HA LYS 13 -12.560 -6.795 5.680
81 HB2 LYS 13 2HB LYS 13 -10.459 -5.965 6.812
82 HB3 LYS 13 1HB LYS 13 -10.535 -4.515 5.827
83 HG2 LYS 13 2HG LYS 13 -12.487 -3.788 6.950
84 HG3 LYS 13 1HG LYS 13 -12.575 -5.322 7.847
85 HD2 LYS 13 2HD LYS 13 -10.531 -4.853 8.960
86 HD3 LYS 13 1HD LYS 13 -10.230 -3.450 7.924
87 HE2 LYS 13 2HE LYS 13 -12.026 -2.325 8.800
88 HE3 LYS 13 1HE LYS 13 -12.575 -3.691 9.790
89 HZ1 LYS 13 3HZ LYS 13 -9.986 -2.210 10.130
90 HZ2 LYS 13 1HZ LYS 13 -10.467 -3.566 10.978
91 HZ3 LYS 13 2HZ LYS 13 -11.301 -2.140 11.195
92 H ASP 14 H ASP 14 -13.846 -4.476 5.935
93 HA ASP 14 HA ASP 14 -15.348 -4.007 3.679
94 HB2 ASP 14 2HB ASP 14 -15.976 -3.219 5.930
95 HB3 ASP 14 1HB ASP 14 -14.663 -2.067 5.898
96 H LYS 15 H LYS 15 -12.860 -1.703 4.833
97 HA LYS 15 HA LYS 15 -12.074 -1.338 2.048
98 HB2 LYS 15 2HB LYS 15 -12.477 0.807 4.122
99 HB3 LYS 15 1HB LYS 15 -11.641 1.077 2.604
100 HG2 LYS 15 2HG LYS 15 -13.668 0.511 1.370
101 HG3 LYS 15 1HG LYS 15 -14.536 0.263 2.892
102 HD2 LYS 15 2HD LYS 15 -13.250 2.838 2.007
103 HD3 LYS 15 1HD LYS 15 -14.972 2.465 1.834
104 HE2 LYS 15 2HE LYS 15 -13.461 2.408 4.374
105 HE3 LYS 15 1HE LYS 15 -14.366 3.851 3.858
106 HZ1 LYS 15 3HZ LYS 15 -16.357 2.465 3.921
107 HZ2 LYS 15 1HZ LYS 15 -15.616 2.460 5.422
108 HZ3 LYS 15 2HZ LYS 15 -15.488 1.127 4.399
109 H VAL 16 H VAL 16 -9.949 -1.206 1.688
110 HA VAL 16 HA VAL 16 -8.158 -1.198 3.991
111 HB VAL 16 HB VAL 16 -6.720 -2.966 2.938
112 HG11 VAL 16 1HG1 VAL 16 -8.291 -3.588 4.704
113 HG12 VAL 16 2HG1 VAL 16 -8.104 -4.890 3.540
114 HG13 VAL 16 3HG1 VAL 16 -9.544 -3.864 3.499
115 HG21 VAL 16 3HG2 VAL 16 -7.438 -2.719 0.669
116 HG22 VAL 16 1HG2 VAL 16 -9.044 -3.382 1.002
117 HG23 VAL 16 2HG2 VAL 16 -7.624 -4.407 1.168
118 H ASP 17 H ASP 17 -6.019 -0.416 3.586
119 HA ASP 17 HA ASP 17 -6.063 1.558 1.445
120 HB2 ASP 17 2HB ASP 17 -4.443 1.498 4.000
121 HB3 ASP 17 1HB ASP 17 -4.366 2.771 2.797
122 H TRP 18 H TRP 18 -4.312 2.062 0.342
123 HA TRP 18 HA TRP 18 -2.146 0.020 -0.030
124 HB2 TRP 18 2HB TRP 18 -3.673 1.343 -2.221
125 HB3 TRP 18 1HB TRP 18 -2.421 0.171 -2.472
126 HD1 TRP 18 HD TRP 18 -5.786 0.130 -0.527
127 HE1 TRP 18 1HE TRP 18 -7.039 -2.018 -1.104
128 HE3 TRP 18 3HE TRP 18 -2.489 -1.823 -3.786
129 HZ2 TRP 18 2HZ TRP 18 -6.673 -4.240 -2.762
130 HZ3 TRP 18 3HZ TRP 18 -2.985 -3.959 -4.881
131 HH2 TRP 18 HH TRP 18 -5.054 -5.149 -4.392
132 H VAL 19 H VAL 19 -0.231 0.898 -1.424
133 HA VAL 19 HA VAL 19 -0.041 3.816 -1.466
134 HB VAL 19 HB VAL 19 2.265 2.049 -0.993
135 HG11 VAL 19 1HG1 VAL 19 1.818 4.895 -0.286
136 HG12 VAL 19 2HG1 VAL 19 2.842 4.201 -1.555
137 HG13 VAL 19 3HG1 VAL 19 3.258 3.969 0.134
138 HG21 VAL 19 3HG2 VAL 19 0.536 2.954 1.290
139 HG22 VAL 19 1HG2 VAL 19 2.188 2.308 1.427
140 HG23 VAL 19 2HG2 VAL 19 0.933 1.292 0.747
141 H GLN 20 H GLN 20 0.741 4.360 -3.472
142 HA GLN 20 HA GLN 20 1.872 2.284 -5.189
143 HB2 GLN 20 2HB GLN 20 0.545 4.735 -5.647
144 HB3 GLN 20 1HB GLN 20 2.155 4.927 -6.302
145 HG2 GLN 20 2HG GLN 20 0.090 2.884 -7.069
146 HG3 GLN 20 1HG GLN 20 0.733 4.231 -8.001
147 HE21 GLN 20 1HE2 GLN 20 0.611 1.380 -8.679
148 HE22 GLN 20 2HE2 GLN 20 2.230 0.946 -8.982
149 H CYS 21 H CYS 21 4.080 2.170 -5.648
150 HA CYS 21 HA CYS 21 5.893 3.711 -4.020
151 HB2 CYS 21 2HB CYS 21 6.168 1.210 -4.898
152 HB3 CYS 21 1HB CYS 21 6.556 2.013 -6.362
153 H ASP 22 H ASP 22 6.775 5.574 -4.729
154 HA ASP 22 HA ASP 22 6.320 6.433 -7.487
155 HB2 ASP 22 2HB ASP 22 7.591 7.913 -5.173
156 HB3 ASP 22 1HB ASP 22 7.253 8.609 -6.760
157 H GLY 23 H GLY 23 8.231 4.227 -6.734
158 HA2 GLY 23 2HA GLY 23 10.687 5.381 -7.749
159 HA3 GLY 23 1HA GLY 23 10.532 3.829 -6.914
160 H GLY 24 H GLY 24 11.382 2.439 -8.803
161 HA2 GLY 24 2HA GLY 24 9.815 2.860 -11.163
162 HA3 GLY 24 1HA GLY 24 11.367 2.065 -11.003
163 H CYS 25 H CYS 25 9.563 0.809 -8.500
164 HA CYS 25 HA CYS 25 9.006 -1.573 -10.114
165 HB2 CYS 25 2HB CYS 25 8.208 -2.717 -8.123
166 HB3 CYS 25 1HB CYS 25 9.666 -1.839 -7.703
167 H ASP 26 H ASP 26 7.224 1.201 -9.328
168 HA ASP 26 HA ASP 26 5.024 1.824 -9.321
169 HB2 ASP 26 2HB ASP 26 4.862 -0.012 -11.737
170 HB3 ASP 26 1HB ASP 26 3.789 1.254 -11.332
171 H GLU 27 H GLU 27 5.356 -0.459 -7.624
172 HA GLU 27 HA GLU 27 2.818 -1.703 -8.186
173 HB2 GLU 27 2HB GLU 27 5.130 -2.837 -6.689
174 HB3 GLU 27 1HB GLU 27 3.514 -3.552 -6.707
175 HG2 GLU 27 2HG GLU 27 3.660 -3.626 -9.197
176 HG3 GLU 27 1HG GLU 27 5.337 -3.112 -9.064
177 H TRP 28 H TRP 28 1.549 -2.368 -6.474
178 HA TRP 28 HA TRP 28 1.314 -0.187 -4.547
179 HB2 TRP 28 2HB TRP 28 -0.737 -2.270 -5.311
180 HB3 TRP 28 1HB TRP 28 -0.908 -0.961 -4.143
181 HD1 TRP 28 HD TRP 28 -0.709 -1.564 -7.913
182 HE1 TRP 28 1HE TRP 28 -1.675 0.476 -9.125
183 HE3 TRP 28 3HE TRP 28 -1.421 1.506 -3.883
184 HZ2 TRP 28 2HZ TRP 28 -2.606 3.051 -8.454
185 HZ3 TRP 28 3HZ TRP 28 -2.392 3.730 -4.286
186 HH2 TRP 28 HH TRP 28 -2.970 4.461 -6.499
187 H PHE 29 H PHE 29 1.319 -0.467 -2.509
188 HA PHE 29 HA PHE 29 1.682 -3.182 -1.334
189 HB2 PHE 29 2HB PHE 29 2.788 -0.741 -0.067
190 HB3 PHE 29 1HB PHE 29 3.294 -2.415 0.074
191 HD1 PHE 29 2HD PHE 29 4.508 -3.472 -1.917
192 HD2 PHE 29 1HD PHE 29 3.775 0.727 -1.490
193 HE1 PHE 29 2HE PHE 29 6.300 -2.962 -3.517
194 HE2 PHE 29 1HE PHE 29 5.501 1.202 -2.983
195 HZ PHE 29 HZ PHE 29 6.805 -0.587 -4.055
196 H HIS 30 H HIS 30 1.288 -3.040 1.074
197 HA HIS 30 HA HIS 30 -1.012 -1.238 1.612
198 HB2 HIS 30 2HB HIS 30 -0.046 -3.600 3.257
199 HB3 HIS 30 1HB HIS 30 -1.471 -2.654 3.579
200 HD2 HIS 30 2HD HIS 30 -3.749 -3.347 2.027
201 HE1 HIS 30 1HE HIS 30 -2.033 -7.027 0.750
202 HE2 HIS 30 2HE HIS 30 -4.038 -5.497 0.606
203 H GLN 31 H GLN 31 -0.731 0.303 3.193
204 HA GLN 31 HA GLN 31 1.604 1.504 3.830
205 HB2 GLN 31 2HB GLN 31 -0.792 1.235 5.643
206 HB3 GLN 31 1HB GLN 31 0.415 2.518 5.674
207 HG2 GLN 31 2HG GLN 31 -0.833 2.019 3.157
208 HG3 GLN 31 1HG GLN 31 -1.973 2.742 4.331
209 HE21 GLN 31 1HE2 GLN 31 -1.248 3.879 1.883
210 HE22 GLN 31 2HE2 GLN 31 -0.260 5.260 2.155
211 H VAL 32 H VAL 32 -0.016 -1.038 5.832
212 HA VAL 32 HA VAL 32 1.922 -0.894 7.875
213 HB VAL 32 HB VAL 32 0.774 -2.828 8.858
214 HG11 VAL 32 1HG1 VAL 32 -1.098 -0.722 7.802
215 HG12 VAL 32 2HG1 VAL 32 -0.089 -0.591 9.248
216 HG13 VAL 32 3HG1 VAL 32 -1.405 -1.766 9.193
217 HG21 VAL 32 3HG2 VAL 32 -1.228 -3.768 7.761
218 HG22 VAL 32 1HG2 VAL 32 0.245 -4.070 6.839
219 HG23 VAL 32 2HG2 VAL 32 -0.880 -2.821 6.313
220 H CYS 33 H CYS 33 1.726 -2.923 4.948
221 HA CYS 33 HA CYS 33 3.470 -4.891 6.114
222 HB2 CYS 33 2HB CYS 33 3.133 -6.100 3.904
223 HB3 CYS 33 1HB CYS 33 1.603 -5.598 4.620
224 H VAL 34 H VAL 34 3.705 -2.066 3.973
225 HA VAL 34 HA VAL 34 6.376 -2.836 3.319
226 HB VAL 34 HB VAL 34 4.616 -2.114 1.521
227 HG11 VAL 34 1HG1 VAL 34 3.531 -0.298 2.606
228 HG12 VAL 34 2HG1 VAL 34 4.316 0.176 1.103
229 HG13 VAL 34 3HG1 VAL 34 5.077 0.554 2.635
230 HG21 VAL 34 3HG2 VAL 34 7.227 -0.797 1.810
231 HG22 VAL 34 1HG2 VAL 34 6.244 -0.863 0.301
232 HG23 VAL 34 2HG2 VAL 34 6.784 -2.378 1.087
233 H GLY 35 H GLY 35 5.169 -1.694 5.890
234 HA2 GLY 35 2HA GLY 35 5.706 -0.208 7.560
235 HA3 GLY 35 1HA GLY 35 7.309 -0.247 6.870
236 H VAL 36 H VAL 36 4.230 1.203 5.751
237 HA VAL 36 HA VAL 36 5.581 3.804 5.487
238 HB VAL 36 HB VAL 36 2.733 3.043 4.699
239 HG11 VAL 36 1HG1 VAL 36 3.266 5.502 4.962
240 HG12 VAL 36 2HG1 VAL 36 2.573 4.744 3.531
241 HG13 VAL 36 3HG1 VAL 36 4.274 5.200 3.468
242 HG21 VAL 36 3HG2 VAL 36 5.177 3.005 3.041
243 HG22 VAL 36 1HG2 VAL 36 3.547 3.448 2.500
244 HG23 VAL 36 2HG2 VAL 36 3.814 1.826 3.211
245 H SER 37 H SER 37 4.616 5.759 6.737
246 HA SER 37 HA SER 37 2.732 4.953 8.685
247 HB2 SER 37 2HB SER 37 4.546 7.393 8.416
248 HB3 SER 37 1HB SER 37 3.556 6.969 9.805
249 HG SER 37 HG SER 37 5.114 4.897 9.236
250 HA PRO 38 HA PRO 38 -0.445 6.876 6.116
251 HB2 PRO 38 2HB PRO 38 -1.008 8.464 8.580
252 HB3 PRO 38 1HB PRO 38 -2.146 7.609 7.523
253 HG2 PRO 38 2HG PRO 38 -1.459 6.524 9.829
254 HG3 PRO 38 1HG PRO 38 -1.550 5.512 8.380
255 HD2 PRO 38 2HD PRO 38 0.853 6.527 9.825
256 HD3 PRO 38 1HD PRO 38 0.615 4.999 8.958
257 H GLU 39 H GLU 39 1.302 9.015 8.236
258 HA GLU 39 HA GLU 39 0.810 11.511 7.026
259 HB2 GLU 39 2HB GLU 39 3.332 10.646 8.440
260 HB3 GLU 39 1HB GLU 39 2.795 12.287 8.184
261 HG2 GLU 39 2HG GLU 39 0.871 11.876 9.569
262 HG3 GLU 39 1HG GLU 39 1.396 10.229 9.842
263 H MET 40 H MET 40 3.125 9.086 6.473
264 HA MET 40 HA MET 40 4.853 10.813 4.908
265 HB2 MET 40 2HB MET 40 5.108 7.853 5.366
266 HB3 MET 40 1HB MET 40 6.274 8.811 4.474
267 HG2 MET 40 2HG MET 40 5.543 9.123 7.375
268 HG3 MET 40 1HG MET 40 7.052 8.465 6.727
269 HE1 MET 40 3HE MET 40 8.654 11.671 5.069
270 HE2 MET 40 1HE MET 40 7.598 10.512 4.265
271 HE3 MET 40 2HE MET 40 8.836 9.935 5.367
272 H ALA 41 H ALA 41 2.797 7.949 4.063
273 HA ALA 41 HA ALA 41 3.484 8.063 1.340
274 HB1 ALA 41 1HB ALA 41 1.537 6.658 1.030
275 HB2 ALA 41 2HB ALA 41 1.147 6.930 2.742
276 HB3 ALA 41 3HB ALA 41 2.641 6.057 2.280
277 H GLU 42 H GLU 42 0.862 9.718 3.159
278 HA GLU 42 HA GLU 42 -0.264 10.318 0.592
279 HB2 GLU 42 2HB GLU 42 -1.114 10.897 3.370
280 HB3 GLU 42 1HB GLU 42 -1.984 11.625 2.004
281 HG2 GLU 42 2HG GLU 42 -2.389 9.309 1.190
282 HG3 GLU 42 1HG GLU 42 -1.643 8.696 2.665
283 H ASN 43 H ASN 43 1.822 11.674 2.779
284 HA ASN 43 HA ASN 43 1.474 14.337 1.615
285 HB2 ASN 43 2HB ASN 43 3.000 13.491 4.012
286 HB3 ASN 43 1HB ASN 43 3.205 15.074 3.285
287 HD21 ASN 43 1HD2 ASN 43 1.130 13.025 5.081
288 HD22 ASN 43 2HD2 ASN 43 -0.108 14.186 5.479
289 H GLU 44 H GLU 44 3.948 11.889 1.480
290 HA GLU 44 HA GLU 44 5.305 13.592 -0.436
291 HB2 GLU 44 2HB GLU 44 6.702 12.214 1.872
292 HB3 GLU 44 1HB GLU 44 7.559 12.842 0.478
293 HG2 GLU 44 2HG GLU 44 6.694 15.096 1.017
294 HG3 GLU 44 1HG GLU 44 5.908 14.419 2.439
295 H ASP 45 H ASP 45 6.881 12.354 -1.847
296 HA ASP 45 HA ASP 45 5.735 10.110 -3.018
297 HB2 ASP 45 2HB ASP 45 8.673 10.906 -3.083
298 HB3 ASP 45 1HB ASP 45 7.827 9.904 -4.236
299 H TYR 46 H TYR 46 5.972 7.984 -2.665
300 HA TYR 46 HA TYR 46 7.801 7.291 -0.499
301 HB2 TYR 46 2HB TYR 46 5.585 7.093 0.419
302 HB3 TYR 46 1HB TYR 46 5.081 6.084 -0.943
303 HD1 TYR 46 2HD TYR 46 7.558 6.176 1.865
304 HD2 TYR 46 1HD TYR 46 5.248 3.968 -0.793
305 HE1 TYR 46 2HE TYR 46 8.347 4.104 2.975
306 HE2 TYR 46 1HE TYR 46 6.012 1.822 0.239
307 HH TYR 46 HH TYR 46 7.602 1.678 3.194
308 H ILE 47 H ILE 47 8.819 5.748 -0.509
309 HA ILE 47 HA ILE 47 9.366 4.162 -3.042
310 HB ILE 47 HB ILE 47 11.550 5.190 -1.190
311 HG12 ILE 47 2HG1 ILE 47 10.534 7.065 -2.404
312 HG13 ILE 47 1HG1 ILE 47 12.173 6.760 -2.964
313 HG21 ILE 47 1HG2 ILE 47 11.772 3.829 -3.857
314 HG22 ILE 47 2HG2 ILE 47 12.189 3.141 -2.284
315 HG23 ILE 47 3HG2 ILE 47 13.118 4.498 -2.934
316 HD11 ILE 47 3HD1 ILE 47 9.634 5.918 -4.359
317 HD12 ILE 47 1HD1 ILE 47 11.276 5.648 -4.948
318 HD13 ILE 47 2HD1 ILE 47 10.656 7.291 -4.791
319 H CYS 48 H CYS 48 9.448 2.089 -2.862
320 HA CYS 48 HA CYS 48 9.298 0.820 -0.239
321 HB2 CYS 48 2HB CYS 48 8.736 -1.153 -1.353
322 HB3 CYS 48 1HB CYS 48 7.974 0.106 -2.323
323 H ILE 49 H ILE 49 10.784 -1.291 0.042
324 HA ILE 49 HA ILE 49 13.387 -0.407 -0.012
325 HB ILE 49 HB ILE 49 13.968 -2.540 0.913
326 HG12 ILE 49 2HG1 ILE 49 12.026 -3.760 1.680
327 HG13 ILE 49 1HG1 ILE 49 11.111 -3.216 0.274
328 HG21 ILE 49 1HG2 ILE 49 12.560 -2.246 2.913
329 HG22 ILE 49 2HG2 ILE 49 11.495 -1.272 1.853
330 HG23 ILE 49 3HG2 ILE 49 13.137 -0.699 2.218
331 HD11 ILE 49 3HD1 ILE 49 12.929 -4.228 -1.171
332 HD12 ILE 49 1HD1 ILE 49 12.038 -5.434 -0.242
333 HD13 ILE 49 2HD1 ILE 49 13.638 -4.917 0.286
334 H ASN 50 H ASN 50 11.586 -2.168 -2.112
335 HA ASN 50 HA ASN 50 13.630 -3.551 -3.608
336 HB2 ASN 50 2HB ASN 50 10.815 -2.813 -4.474
337 HB3 ASN 50 1HB ASN 50 11.914 -3.752 -5.470
338 HD21 ASN 50 1HD2 ASN 50 9.290 -4.465 -4.379
339 HD22 ASN 50 2HD2 ASN 50 9.565 -5.880 -3.439
340 H CYS 51 H CYS 51 12.484 -0.325 -3.621
341 HA CYS 51 HA CYS 51 14.011 0.217 -6.064
342 HB2 CYS 51 2HB CYS 51 11.773 1.904 -4.834
343 HB3 CYS 51 1HB CYS 51 12.623 2.293 -6.326
344 H ALA 52 H ALA 52 14.359 0.225 -2.847
345 HA ALA 52 HA ALA 52 15.825 2.756 -2.629
346 HB1 ALA 52 3HB ALA 52 14.316 2.092 -0.782
347 HB2 ALA 52 1HB ALA 52 15.986 2.284 -0.246
348 HB3 ALA 52 2HB ALA 52 15.342 0.678 -0.499
349 HA ALA 301 HA ALA 301 3.032 8.923 -4.231
350 HB1 ALA 301 2HB ALA 301 2.925 7.134 -2.593
351 HB2 ALA 301 3HB ALA 301 2.537 8.288 -1.318
352 HB3 ALA 301 1HB ALA 301 4.114 8.327 -2.102
353 H ARG 302 H ARG 302 1.326 8.212 -5.339
354 HA ARG 302 HA ARG 302 -1.277 8.991 -4.436
355 HB2 ARG 302 2HB ARG 302 -0.783 9.115 -6.829
356 HB3 ARG 302 1HB ARG 302 -0.516 7.376 -6.895
357 HG2 ARG 302 2HG ARG 302 -2.815 6.948 -6.376
358 HG3 ARG 302 1HG ARG 302 -3.114 8.652 -6.104
359 HD2 ARG 302 2HD ARG 302 -3.946 7.924 -8.293
360 HD3 ARG 302 1HD ARG 302 -2.664 9.119 -8.452
361 HE ARG 302 HE ARG 302 -1.181 7.106 -8.834
362 HH11 ARG 302 1HH1 ARG 302 -4.633 7.108 -9.770
363 HH12 ARG 302 2HH1 ARG 302 -4.354 6.060 -11.086
364 HH21 ARG 302 1HH2 ARG 302 -0.895 5.705 -10.691
365 HH22 ARG 302 2HH2 ARG 302 -2.250 5.271 -11.627
366 H THR 303 H THR 303 -2.295 7.937 -2.961
367 HA THR 303 HA THR 303 -1.823 5.105 -2.573
368 HB THR 303 HB THR 303 -3.055 5.559 -0.425
369 HG1 THR 303 1HG THR 303 -2.759 8.136 -0.199
370 HG21 THR 303 3HG2 THR 303 -1.163 6.705 0.617
371 HG22 THR 303 1HG2 THR 303 -0.605 7.240 -0.985
372 HG23 THR 303 2HG2 THR 303 -0.652 5.517 -0.596
373 H M3L 304 H M3L 304 -3.962 4.064 -1.635
374 HA M3L 304 HA M3L 304 -6.345 5.121 -2.826
375 HB2 M3L 304 1HB M3L 304 -5.721 3.790 -4.754
376 HB3 M3L 304 2HB M3L 304 -7.023 2.961 -3.847
377 HG2 M3L 304 1HG M3L 304 -5.467 1.569 -2.782
378 HG3 M3L 304 2HG M3L 304 -4.199 2.215 -3.846
379 HD2 M3L 304 1HD M3L 304 -6.659 0.729 -4.730
380 HD3 M3L 304 2HD M3L 304 -4.992 0.125 -4.692
381 HE2 M3L 304 1HE M3L 304 -4.354 1.906 -6.250
382 HE3 M3L 304 2HE M3L 304 -6.066 2.330 -6.344
383 HM11 M3L 304 1HM1 M3L 304 -4.836 -1.490 -7.792
384 HM12 M3L 304 2HM1 M3L 304 -4.932 -1.224 -6.100
385 HM13 M3L 304 3HM1 M3L 304 -3.670 -0.478 -7.014
386 HM21 M3L 304 1HM2 M3L 304 -4.589 1.988 -8.406
387 HM22 M3L 304 2HM2 M3L 304 -6.005 1.384 -9.205
388 HM23 M3L 304 3HM2 M3L 304 -4.544 0.454 -9.184
389 HM31 M3L 304 3HM3 M3L 304 -7.676 0.841 -7.230
390 HM32 M3L 304 1HM3 M3L 304 -7.223 -0.679 -6.561
391 HM33 M3L 304 2HM3 M3L 304 -7.238 -0.453 -8.268
392 H GLN 305 H GLN 305 -8.213 3.684 -2.403
393 HA GLN 305 HA GLN 305 -8.012 2.208 0.105
394 HB2 GLN 305 2HB GLN 305 -8.590 4.588 0.637
395 HB3 GLN 305 1HB GLN 305 -9.956 4.467 -0.462
396 HG2 GLN 305 2HG GLN 305 -10.951 2.789 0.995
397 HG3 GLN 305 1HG GLN 305 -9.564 2.920 2.088
398 HE21 GLN 305 1HE2 GLN 305 -12.460 4.500 0.922
399 HE22 GLN 305 2HE2 GLN 305 -12.517 5.701 2.149
400 H THR 306 H THR 306 -8.642 0.298 -0.732
401 HA THR 306 HA THR 306 -10.668 0.297 -2.817
402 HB THR 306 HB THR 306 -10.190 -2.138 -3.038
403 HG1 THR 306 1HG THR 306 -9.378 -1.921 -0.672
404 HG21 THR 306 3HG2 THR 306 -7.690 -0.418 -3.036
405 HG22 THR 306 1HG2 THR 306 -8.825 -0.548 -4.381
406 HG23 THR 306 2HG2 THR 306 -7.850 -1.933 -3.869
407 H ALA 307 H ALA 307 -12.716 0.211 -2.238
408 HA ALA 307 HA ALA 307 -13.505 -1.015 0.264
409 HB1 ALA 307 1HB ALA 307 -15.175 0.378 -1.856
410 HB2 ALA 307 2HB ALA 307 -14.591 1.096 -0.339
411 HB3 ALA 307 3HB ALA 307 -15.764 -0.208 -0.298
412 H ARG 308 H ARG 308 -14.453 -2.924 0.457
413 HA ARG 308 HA ARG 308 -14.793 -4.468 -2.022
414 HB2 ARG 308 2HB ARG 308 -13.672 -5.473 0.580
415 HB3 ARG 308 1HB ARG 308 -13.823 -6.353 -0.927
416 HG2 ARG 308 2HG ARG 308 -12.106 -4.607 -1.903
417 HG3 ARG 308 1HG ARG 308 -11.987 -4.114 -0.253
418 HD2 ARG 308 2HD ARG 308 -11.117 -6.103 0.481
419 HD3 ARG 308 1HD ARG 308 -11.612 -6.956 -0.985
420 HE ARG 308 HE ARG 308 -9.750 -4.751 -1.175
421 HH11 ARG 308 1HH1 ARG 308 -10.338 -8.237 -1.295
422 HH12 ARG 308 2HH1 ARG 308 -8.980 -8.609 -2.211
423 HH21 ARG 308 1HH2 ARG 308 -7.880 -5.240 -2.508
424 HH22 ARG 308 2HH2 ARG 308 -7.540 -6.867 -2.954
425 H LYS 309 H LYS 309 -16.526 -5.838 -2.043
426 HA LYS 309 HA LYS 309 -18.488 -5.453 0.012
427 HB2 LYS 309 2HB LYS 309 -18.527 -7.271 -2.406
428 HB3 LYS 309 1HB LYS 309 -19.877 -7.052 -1.308
429 HG2 LYS 309 2HG LYS 309 -19.969 -4.677 -1.881
430 HG3 LYS 309 1HG LYS 309 -18.619 -4.918 -3.000
431 HD2 LYS 309 2HD LYS 309 -19.986 -6.482 -4.297
432 HD3 LYS 309 1HD LYS 309 -21.297 -6.297 -3.145
433 HE2 LYS 309 2HE LYS 309 -21.470 -3.927 -3.690
434 HE3 LYS 309 1HE LYS 309 -20.132 -4.073 -4.831
435 HZ1 LYS 309 3HZ LYS 309 -22.211 -4.115 -5.965
436 HZ2 LYS 309 1HZ LYS 309 -22.784 -5.402 -5.034
437 HZ3 LYS 309 2HZ LYS 309 -21.491 -5.621 -6.102
Start of MODEL 7
1 HA SER 1 HA SER 1 -7.236 -8.354 -0.650
2 HB2 SER 1 2HB SER 1 -6.901 -10.653 -1.619
3 HB3 SER 1 1HB SER 1 -8.236 -9.793 -2.369
4 HG SER 1 HG SER 1 -7.183 -9.745 -4.232
5 H VAL 2 H VAL 2 -4.777 -9.135 -3.065
6 HA VAL 2 HA VAL 2 -2.760 -9.001 -0.949
7 HB VAL 2 HB VAL 2 -2.430 -10.385 -3.625
8 HG11 VAL 2 1HG1 VAL 2 -0.632 -11.663 -2.504
9 HG12 VAL 2 2HG1 VAL 2 -0.866 -10.683 -1.056
10 HG13 VAL 2 3HG1 VAL 2 -0.347 -9.932 -2.541
11 HG21 VAL 2 3HG2 VAL 2 -3.386 -11.691 -1.065
12 HG22 VAL 2 1HG2 VAL 2 -2.933 -12.535 -2.533
13 HG23 VAL 2 2HG2 VAL 2 -4.336 -11.469 -2.523
14 H CYS 3 H CYS 3 -0.821 -7.818 -1.432
15 HA CYS 3 HA CYS 3 -0.930 -6.107 -3.821
16 HB2 CYS 3 2HB CYS 3 -0.170 -4.348 -2.544
17 HB3 CYS 3 1HB CYS 3 -1.210 -5.161 -1.362
18 H ALA 4 H ALA 4 1.532 -5.321 -4.019
19 HA ALA 4 HA ALA 4 3.039 -7.897 -3.831
20 HB1 ALA 4 1HB ALA 4 4.510 -7.203 -5.579
21 HB2 ALA 4 2HB ALA 4 3.775 -5.595 -5.526
22 HB3 ALA 4 3HB ALA 4 2.819 -6.972 -6.110
23 H ALA 5 H ALA 5 3.134 -6.484 -1.502
24 HA ALA 5 HA ALA 5 5.920 -5.918 -1.336
25 HB1 ALA 5 1HB ALA 5 5.557 -5.551 1.065
26 HB2 ALA 5 2HB ALA 5 3.967 -6.296 0.936
27 HB3 ALA 5 3HB ALA 5 4.290 -4.785 0.107
28 H GLN 6 H GLN 6 7.542 -7.257 -0.454
29 HA GLN 6 HA GLN 6 7.570 -9.996 -0.593
30 HB2 GLN 6 2HB GLN 6 9.202 -8.299 1.290
31 HB3 GLN 6 1HB GLN 6 9.528 -9.979 0.912
32 HG2 GLN 6 2HG GLN 6 9.898 -9.382 -1.416
33 HG3 GLN 6 1HG GLN 6 9.574 -7.690 -1.046
34 HE21 GLN 6 1HE2 GLN 6 12.042 -8.968 -2.058
35 HE22 GLN 6 2HE2 GLN 6 13.268 -8.536 -0.923
36 H ASN 7 H ASN 7 7.020 -8.187 2.398
37 HA ASN 7 HA ASN 7 6.085 -10.737 3.541
38 HB2 ASN 7 2HB ASN 7 8.043 -9.776 4.662
39 HB3 ASN 7 1HB ASN 7 7.132 -8.304 5.005
40 HD21 ASN 7 1HD2 ASN 7 5.567 -8.379 6.620
41 HD22 ASN 7 2HD2 ASN 7 5.453 -9.622 7.790
42 H CYS 8 H CYS 8 4.064 -10.268 2.393
43 HA CYS 8 HA CYS 8 2.635 -8.120 3.601
44 HB2 CYS 8 2HB CYS 8 2.681 -8.013 1.138
45 HB3 CYS 8 1HB CYS 8 2.028 -9.638 1.096
46 H GLN 9 H GLN 9 0.744 -8.338 4.216
47 HA GLN 9 HA GLN 9 -0.459 -10.987 4.774
48 HB2 GLN 9 2HB GLN 9 -0.823 -8.562 6.569
49 HB3 GLN 9 1HB GLN 9 -1.690 -10.083 6.747
50 HG2 GLN 9 2HG GLN 9 0.462 -11.241 7.070
51 HG3 GLN 9 1HG GLN 9 1.270 -9.669 7.011
52 HE21 GLN 9 1HE2 GLN 9 1.116 -11.652 9.132
53 HE22 GLN 9 2HE2 GLN 9 0.474 -10.820 10.509
54 H ARG 10 H ARG 10 -2.700 -11.299 4.427
55 HA ARG 10 HA ARG 10 -3.782 -9.489 2.456
56 HB2 ARG 10 2HB ARG 10 -4.407 -12.368 3.126
57 HB3 ARG 10 1HB ARG 10 -5.057 -11.457 1.769
58 HG2 ARG 10 2HG ARG 10 -2.865 -11.345 0.744
59 HG3 ARG 10 1HG ARG 10 -2.146 -12.089 2.164
60 HD2 ARG 10 2HD ARG 10 -3.378 -14.142 1.780
61 HD3 ARG 10 1HD ARG 10 -4.194 -13.406 0.398
62 HE ARG 10 HE ARG 10 -2.085 -13.381 -0.763
63 HH11 ARG 10 1HH1 ARG 10 -2.018 -15.300 2.244
64 HH12 ARG 10 2HH1 ARG 10 -0.860 -16.392 1.672
65 HH21 ARG 10 1HH2 ARG 10 -0.416 -14.937 -1.526
66 HH22 ARG 10 2HH2 ARG 10 0.055 -16.171 -0.463
67 HA PRO 11 HA PRO 11 -6.398 -8.722 6.122
68 HB2 PRO 11 2HB PRO 11 -7.293 -6.264 5.342
69 HB3 PRO 11 1HB PRO 11 -5.720 -6.517 6.104
70 HG2 PRO 11 2HG PRO 11 -6.373 -6.107 3.225
71 HG3 PRO 11 1HG PRO 11 -4.990 -5.522 4.140
72 HD2 PRO 11 2HD PRO 11 -4.888 -7.708 2.442
73 HD3 PRO 11 1HD PRO 11 -3.826 -7.454 3.823
74 H CYS 12 H CYS 12 -7.601 -7.589 2.981
75 HA CYS 12 HA CYS 12 -9.472 -7.855 1.816
76 HB2 CYS 12 2HB CYS 12 -9.788 -10.400 3.439
77 HB3 CYS 12 1HB CYS 12 -10.688 -10.026 1.973
78 HG CYS 12 HG CYS 12 -8.345 -11.868 2.012
79 H LYS 13 H LYS 13 -9.562 -6.552 4.513
80 HA LYS 13 HA LYS 13 -12.240 -6.839 5.502
81 HB2 LYS 13 2HB LYS 13 -10.342 -4.482 5.872
82 HB3 LYS 13 1HB LYS 13 -11.809 -4.746 6.773
83 HG2 LYS 13 2HG LYS 13 -10.888 -6.768 7.723
84 HG3 LYS 13 1HG LYS 13 -9.383 -6.471 6.836
85 HD2 LYS 13 2HD LYS 13 -9.051 -4.393 7.975
86 HD3 LYS 13 1HD LYS 13 -10.620 -4.507 8.762
87 HE2 LYS 13 2HE LYS 13 -9.942 -6.500 9.831
88 HE3 LYS 13 1HE LYS 13 -8.315 -6.390 9.137
89 HZ1 LYS 13 3HZ LYS 13 -8.278 -5.478 11.366
90 HZ2 LYS 13 1HZ LYS 13 -9.615 -4.507 11.031
91 HZ3 LYS 13 2HZ LYS 13 -8.121 -4.183 10.314
92 H ASP 14 H ASP 14 -13.500 -4.517 5.626
93 HA ASP 14 HA ASP 14 -14.722 -4.205 3.139
94 HB2 ASP 14 2HB ASP 14 -14.648 -2.199 5.403
95 HB3 ASP 14 1HB ASP 14 -15.768 -2.166 4.056
96 H LYS 15 H LYS 15 -12.672 -1.746 4.742
97 HA LYS 15 HA LYS 15 -11.640 -1.254 2.104
98 HB2 LYS 15 2HB LYS 15 -12.608 0.789 4.077
99 HB3 LYS 15 1HB LYS 15 -11.461 1.230 2.817
100 HG2 LYS 15 2HG LYS 15 -13.051 0.505 1.093
101 HG3 LYS 15 1HG LYS 15 -14.197 0.034 2.345
102 HD2 LYS 15 2HD LYS 15 -13.153 2.844 2.012
103 HD3 LYS 15 1HD LYS 15 -14.619 2.256 1.225
104 HE2 LYS 15 2HE LYS 15 -14.167 2.075 4.169
105 HE3 LYS 15 1HE LYS 15 -14.933 3.498 3.440
106 HZ1 LYS 15 3HZ LYS 15 -15.954 0.674 3.373
107 HZ2 LYS 15 1HZ LYS 15 -16.688 2.000 2.628
108 HZ3 LYS 15 2HZ LYS 15 -16.552 1.921 4.298
109 H VAL 16 H VAL 16 -9.597 -1.360 1.904
110 HA VAL 16 HA VAL 16 -7.957 -1.337 4.321
111 HB VAL 16 HB VAL 16 -6.560 -3.143 3.381
112 HG11 VAL 16 1HG1 VAL 16 -8.321 -3.717 4.930
113 HG12 VAL 16 2HG1 VAL 16 -8.174 -4.991 3.707
114 HG13 VAL 16 3HG1 VAL 16 -9.478 -3.808 3.606
115 HG21 VAL 16 3HG2 VAL 16 -7.434 -4.503 1.462
116 HG22 VAL 16 1HG2 VAL 16 -6.961 -2.856 1.003
117 HG23 VAL 16 2HG2 VAL 16 -8.664 -3.274 1.208
118 H ASP 17 H ASP 17 -5.729 -0.617 4.024
119 HA ASP 17 HA ASP 17 -5.657 1.567 2.212
120 HB2 ASP 17 2HB ASP 17 -3.558 0.635 4.160
121 HB3 ASP 17 1HB ASP 17 -3.716 2.206 3.407
122 H TRP 18 H TRP 18 -4.206 1.943 0.696
123 HA TRP 18 HA TRP 18 -2.189 -0.085 -0.060
124 HB2 TRP 18 2HB TRP 18 -4.022 1.332 -1.953
125 HB3 TRP 18 1HB TRP 18 -2.740 0.270 -2.465
126 HD1 TRP 18 HD TRP 18 -6.086 0.133 -0.548
127 HE1 TRP 18 1HE TRP 18 -7.224 -2.160 -1.070
128 HE3 TRP 18 3HE TRP 18 -2.498 -1.928 -3.425
129 HZ2 TRP 18 2HZ TRP 18 -6.666 -4.456 -2.538
130 HZ3 TRP 18 3HZ TRP 18 -2.860 -4.165 -4.399
131 HH2 TRP 18 HH TRP 18 -4.882 -5.377 -3.991
132 H VAL 19 H VAL 19 -0.375 0.864 -1.381
133 HA VAL 19 HA VAL 19 -0.193 3.775 -1.505
134 HB VAL 19 HB VAL 19 2.174 2.219 -1.001
135 HG11 VAL 19 1HG1 VAL 19 1.484 4.919 -0.063
136 HG12 VAL 19 2HG1 VAL 19 2.576 4.419 -1.354
137 HG13 VAL 19 3HG1 VAL 19 2.984 4.093 0.330
138 HG21 VAL 19 3HG2 VAL 19 0.308 2.534 1.320
139 HG22 VAL 19 1HG2 VAL 19 2.067 2.352 1.497
140 HG23 VAL 19 2HG2 VAL 19 1.197 1.084 0.692
141 H GLN 20 H GLN 20 0.875 4.196 -3.392
142 HA GLN 20 HA GLN 20 1.993 1.861 -4.827
143 HB2 GLN 20 2HB GLN 20 0.283 3.701 -5.845
144 HB3 GLN 20 1HB GLN 20 1.812 4.413 -6.307
145 HG2 GLN 20 2HG GLN 20 2.529 2.325 -7.365
146 HG3 GLN 20 1HG GLN 20 0.987 1.595 -6.957
147 HE21 GLN 20 1HE2 GLN 20 2.135 1.769 -9.475
148 HE22 GLN 20 2HE2 GLN 20 1.105 2.715 -10.471
149 H CYS 21 H CYS 21 4.232 1.711 -5.340
150 HA CYS 21 HA CYS 21 6.030 3.556 -4.142
151 HB2 CYS 21 2HB CYS 21 6.308 1.045 -4.639
152 HB3 CYS 21 1HB CYS 21 6.512 1.538 -6.289
153 H ASP 22 H ASP 22 7.165 5.176 -5.127
154 HA ASP 22 HA ASP 22 6.606 5.799 -7.981
155 HB2 ASP 22 2HB ASP 22 7.610 7.637 -5.777
156 HB3 ASP 22 1HB ASP 22 7.224 8.117 -7.409
157 H GLY 23 H GLY 23 8.698 3.901 -6.820
158 HA2 GLY 23 2HA GLY 23 11.103 5.360 -7.743
159 HA3 GLY 23 1HA GLY 23 11.130 4.293 -6.355
160 H GLY 24 H GLY 24 9.278 3.091 -8.923
161 HA2 GLY 24 2HA GLY 24 10.768 2.110 -10.886
162 HA3 GLY 24 1HA GLY 24 11.536 1.286 -9.555
163 H CYS 25 H CYS 25 9.670 0.152 -8.109
164 HA CYS 25 HA CYS 25 8.768 -1.919 -9.863
165 HB2 CYS 25 2HB CYS 25 7.872 -3.080 -7.936
166 HB3 CYS 25 1HB CYS 25 9.433 -2.410 -7.508
167 H ASP 26 H ASP 26 7.384 1.047 -9.010
168 HA ASP 26 HA ASP 26 5.280 1.914 -8.823
169 HB2 ASP 26 2HB ASP 26 5.583 0.681 -11.540
170 HB3 ASP 26 1HB ASP 26 4.291 1.805 -11.146
171 H GLU 27 H GLU 27 5.017 -0.420 -7.397
172 HA GLU 27 HA GLU 27 2.410 -1.248 -8.327
173 HB2 GLU 27 2HB GLU 27 4.500 -2.935 -7.010
174 HB3 GLU 27 1HB GLU 27 2.799 -3.371 -7.043
175 HG2 GLU 27 2HG GLU 27 2.846 -3.229 -9.509
176 HG3 GLU 27 1HG GLU 27 4.570 -2.901 -9.426
177 H TRP 28 H TRP 28 1.156 -2.265 -6.517
178 HA TRP 28 HA TRP 28 1.038 -0.167 -4.526
179 HB2 TRP 28 2HB TRP 28 -1.095 -2.123 -5.400
180 HB3 TRP 28 1HB TRP 28 -1.178 -0.887 -4.139
181 HD1 TRP 28 HD TRP 28 -1.050 -1.109 -8.022
182 HE1 TRP 28 1HE TRP 28 -2.018 1.076 -8.910
183 HE3 TRP 28 3HE TRP 28 -1.536 1.454 -3.636
184 HZ2 TRP 28 2HZ TRP 28 -2.856 3.496 -7.962
185 HZ3 TRP 28 3HZ TRP 28 -2.451 3.738 -3.734
186 HH2 TRP 28 HH TRP 28 -3.109 4.730 -5.860
187 H PHE 29 H PHE 29 1.138 -0.546 -2.517
188 HA PHE 29 HA PHE 29 1.083 -3.264 -1.428
189 HB2 PHE 29 2HB PHE 29 2.739 -1.918 0.284
190 HB3 PHE 29 1HB PHE 29 3.268 -3.093 -0.873
191 HD1 PHE 29 1HD PHE 29 3.113 0.398 0.030
192 HD2 PHE 29 2HD PHE 29 4.342 -2.319 -3.037
193 HE1 PHE 29 1HE PHE 29 4.510 2.107 -0.961
194 HE2 PHE 29 2HE PHE 29 5.693 -0.641 -3.988
195 HZ PHE 29 HZ PHE 29 5.808 1.602 -2.993
196 H HIS 30 H HIS 30 0.995 -3.157 1.024
197 HA HIS 30 HA HIS 30 -1.216 -1.290 1.670
198 HB2 HIS 30 2HB HIS 30 -0.270 -3.719 3.200
199 HB3 HIS 30 1HB HIS 30 -1.614 -2.707 3.663
200 HD2 HIS 30 2HD HIS 30 -4.026 -3.269 2.258
201 HE1 HIS 30 1HE HIS 30 -2.526 -6.935 0.701
202 HE2 HIS 30 2HE HIS 30 -4.481 -5.350 0.757
203 H GLN 31 H GLN 31 -0.970 0.032 3.458
204 HA GLN 31 HA GLN 31 1.549 1.089 3.845
205 HB2 GLN 31 2HB GLN 31 -0.748 1.321 5.776
206 HB3 GLN 31 1HB GLN 31 0.574 2.458 5.563
207 HG2 GLN 31 2HG GLN 31 -0.549 2.033 3.084
208 HG3 GLN 31 1HG GLN 31 -1.910 2.382 4.165
209 HE21 GLN 31 1HE2 GLN 31 -1.033 3.942 1.989
210 HE22 GLN 31 2HE2 GLN 31 -0.467 5.458 2.591
211 H VAL 32 H VAL 32 -0.226 -1.204 5.950
212 HA VAL 32 HA VAL 32 1.728 -1.188 7.982
213 HB VAL 32 HB VAL 32 0.477 -3.114 8.904
214 HG11 VAL 32 1HG1 VAL 32 -0.289 -0.844 9.410
215 HG12 VAL 32 2HG1 VAL 32 -1.667 -1.929 9.281
216 HG13 VAL 32 3HG1 VAL 32 -1.266 -0.843 7.948
217 HG21 VAL 32 3HG2 VAL 32 -1.559 -3.919 7.771
218 HG22 VAL 32 1HG2 VAL 32 -0.103 -4.198 6.808
219 HG23 VAL 32 2HG2 VAL 32 -1.195 -2.873 6.393
220 H CYS 33 H CYS 33 1.474 -3.061 4.976
221 HA CYS 33 HA CYS 33 3.038 -5.215 6.095
222 HB2 CYS 33 2HB CYS 33 2.718 -6.317 3.853
223 HB3 CYS 33 1HB CYS 33 1.146 -5.801 4.508
224 H VAL 34 H VAL 34 3.673 -2.241 4.356
225 HA VAL 34 HA VAL 34 6.278 -3.246 3.704
226 HB VAL 34 HB VAL 34 4.684 -2.604 1.876
227 HG11 VAL 34 1HG1 VAL 34 4.417 -0.246 1.385
228 HG12 VAL 34 2HG1 VAL 34 5.085 0.121 2.971
229 HG13 VAL 34 3HG1 VAL 34 3.536 -0.737 2.836
230 HG21 VAL 34 3HG2 VAL 34 7.185 -1.118 2.204
231 HG22 VAL 34 1HG2 VAL 34 6.334 -1.336 0.638
232 HG23 VAL 34 2HG2 VAL 34 6.929 -2.762 1.561
233 H GLY 35 H GLY 35 4.999 -1.854 6.178
234 HA2 GLY 35 2HA GLY 35 5.553 -0.306 7.777
235 HA3 GLY 35 1HA GLY 35 7.138 -0.337 7.060
236 H VAL 36 H VAL 36 4.082 0.932 5.727
237 HA VAL 36 HA VAL 36 5.362 3.538 5.347
238 HB VAL 36 HB VAL 36 2.591 2.554 4.511
239 HG11 VAL 36 1HG1 VAL 36 2.727 5.022 5.007
240 HG12 VAL 36 2HG1 VAL 36 2.249 4.468 3.411
241 HG13 VAL 36 3HG1 VAL 36 3.885 5.094 3.629
242 HG21 VAL 36 3HG2 VAL 36 3.548 3.285 2.317
243 HG22 VAL 36 1HG2 VAL 36 3.985 1.648 2.928
244 HG23 VAL 36 2HG2 VAL 36 5.098 3.027 3.106
245 H SER 37 H SER 37 4.542 5.548 6.525
246 HA SER 37 HA SER 37 2.653 4.938 8.550
247 HB2 SER 37 2HB SER 37 4.771 7.114 8.326
248 HB3 SER 37 1HB SER 37 3.774 6.703 9.731
249 HG SER 37 HG SER 37 4.792 4.576 9.551
250 HA PRO 38 HA PRO 38 -0.281 7.416 6.216
251 HB2 PRO 38 2HB PRO 38 -0.376 9.256 8.529
252 HB3 PRO 38 1HB PRO 38 -1.692 8.411 7.712
253 HG2 PRO 38 2HG PRO 38 -0.564 7.662 10.145
254 HG3 PRO 38 1HG PRO 38 -1.530 6.610 9.101
255 HD2 PRO 38 2HD PRO 38 1.273 6.443 9.743
256 HD3 PRO 38 1HD PRO 38 0.309 5.354 8.741
257 H GLU 39 H GLU 39 1.959 9.354 8.133
258 HA GLU 39 HA GLU 39 1.809 11.730 6.641
259 HB2 GLU 39 2HB GLU 39 4.069 10.639 8.280
260 HB3 GLU 39 1HB GLU 39 3.996 12.287 7.675
261 HG2 GLU 39 2HG GLU 39 1.979 12.625 8.874
262 HG3 GLU 39 1HG GLU 39 2.035 11.012 9.549
263 H MET 40 H MET 40 3.695 8.942 6.266
264 HA MET 40 HA MET 40 5.704 10.143 4.561
265 HB2 MET 40 2HB MET 40 5.180 7.235 5.156
266 HB3 MET 40 1HB MET 40 6.510 7.807 4.172
267 HG2 MET 40 2HG MET 40 6.043 8.466 7.070
268 HG3 MET 40 1HG MET 40 7.194 7.284 6.444
269 HE1 MET 40 3HE MET 40 9.315 7.931 4.988
270 HE2 MET 40 1HE MET 40 9.773 9.583 4.567
271 HE3 MET 40 2HE MET 40 8.341 8.851 3.849
272 H ALA 41 H ALA 41 3.013 7.840 3.915
273 HA ALA 41 HA ALA 41 3.585 7.686 1.143
274 HB1 ALA 41 1HB ALA 41 1.280 7.022 2.810
275 HB2 ALA 41 2HB ALA 41 2.519 5.841 2.178
276 HB3 ALA 41 3HB ALA 41 1.350 6.631 1.112
277 H GLU 42 H GLU 42 1.300 9.710 3.044
278 HA GLU 42 HA GLU 42 0.007 10.355 0.561
279 HB2 GLU 42 2HB GLU 42 -0.615 11.129 3.393
280 HB3 GLU 42 1HB GLU 42 -1.543 11.699 2.010
281 HG2 GLU 42 2HG GLU 42 -2.057 9.317 1.467
282 HG3 GLU 42 1HG GLU 42 -1.248 8.854 2.971
283 H ASN 43 H ASN 43 2.233 11.668 2.751
284 HA ASN 43 HA ASN 43 1.852 14.352 1.730
285 HB2 ASN 43 2HB ASN 43 3.849 13.310 3.671
286 HB3 ASN 43 1HB ASN 43 3.893 14.953 3.059
287 HD21 ASN 43 1HD2 ASN 43 3.505 14.065 5.773
288 HD22 ASN 43 2HD2 ASN 43 1.960 14.607 6.307
289 H GLU 44 H GLU 44 4.149 11.893 1.072
290 HA GLU 44 HA GLU 44 5.209 13.571 -1.045
291 HB2 GLU 44 2HB GLU 44 7.007 12.307 1.031
292 HB3 GLU 44 1HB GLU 44 7.585 13.029 -0.465
293 HG2 GLU 44 2HG GLU 44 6.655 15.206 0.256
294 HG3 GLU 44 1HG GLU 44 6.157 14.465 1.765
295 H ASP 45 H ASP 45 6.680 12.321 -2.572
296 HA ASP 45 HA ASP 45 5.487 10.031 -3.544
297 HB2 ASP 45 2HB ASP 45 8.314 11.073 -3.870
298 HB3 ASP 45 1HB ASP 45 7.570 9.844 -4.890
299 H TYR 46 H TYR 46 5.896 7.895 -3.174
300 HA TYR 46 HA TYR 46 7.783 7.448 -0.990
301 HB2 TYR 46 2HB TYR 46 5.554 7.337 -0.069
302 HB3 TYR 46 1HB TYR 46 5.132 6.035 -1.196
303 HD1 TYR 46 2HD TYR 46 7.595 6.911 1.472
304 HD2 TYR 46 1HD TYR 46 5.440 3.962 -0.547
305 HE1 TYR 46 2HE TYR 46 8.519 5.243 3.052
306 HE2 TYR 46 1HE TYR 46 6.347 2.200 0.990
307 HH TYR 46 HH TYR 46 7.930 2.964 3.897
308 H ILE 47 H ILE 47 8.860 5.965 -0.868
309 HA ILE 47 HA ILE 47 9.411 4.220 -3.273
310 HB ILE 47 HB ILE 47 11.577 5.178 -1.358
311 HG12 ILE 47 2HG1 ILE 47 10.546 7.131 -2.513
312 HG13 ILE 47 1HG1 ILE 47 12.219 6.855 -2.996
313 HG21 ILE 47 1HG2 ILE 47 13.110 4.522 -3.147
314 HG22 ILE 47 2HG2 ILE 47 11.742 3.969 -4.111
315 HG23 ILE 47 3HG2 ILE 47 12.130 3.159 -2.598
316 HD11 ILE 47 3HD1 ILE 47 9.744 6.124 -4.541
317 HD12 ILE 47 1HD1 ILE 47 11.410 5.878 -5.072
318 HD13 ILE 47 2HD1 ILE 47 10.782 7.520 -4.837
319 H CYS 48 H CYS 48 9.293 2.134 -2.904
320 HA CYS 48 HA CYS 48 9.083 1.107 -0.185
321 HB2 CYS 48 2HB CYS 48 8.561 -0.989 -1.088
322 HB3 CYS 48 1HB CYS 48 7.825 0.109 -2.228
323 H ILE 49 H ILE 49 10.571 -0.873 0.471
324 HA ILE 49 HA ILE 49 13.157 0.112 0.433
325 HB ILE 49 HB ILE 49 13.707 -1.786 1.812
326 HG12 ILE 49 2HG1 ILE 49 11.818 -2.903 2.678
327 HG13 ILE 49 1HG1 ILE 49 10.871 -2.622 1.227
328 HG21 ILE 49 1HG2 ILE 49 12.784 0.233 2.720
329 HG22 ILE 49 2HG2 ILE 49 12.072 -1.162 3.584
330 HG23 ILE 49 3HG2 ILE 49 11.201 -0.366 2.222
331 HD11 ILE 49 3HD1 ILE 49 13.431 -4.249 1.474
332 HD12 ILE 49 1HD1 ILE 49 12.689 -3.833 -0.069
333 HD13 ILE 49 2HD1 ILE 49 11.831 -4.875 1.072
334 H ASN 50 H ASN 50 11.546 -1.937 -1.482
335 HA ASN 50 HA ASN 50 13.716 -3.538 -2.551
336 HB2 ASN 50 2HB ASN 50 11.058 -2.901 -3.894
337 HB3 ASN 50 1HB ASN 50 12.235 -4.045 -4.491
338 HD21 ASN 50 1HD2 ASN 50 9.455 -4.467 -3.769
339 HD22 ASN 50 2HD2 ASN 50 9.477 -5.670 -2.528
340 H CYS 51 H CYS 51 12.267 -0.503 -3.408
341 HA CYS 51 HA CYS 51 14.042 -0.255 -5.734
342 HB2 CYS 51 2HB CYS 51 11.783 1.551 -4.839
343 HB3 CYS 51 1HB CYS 51 12.658 1.763 -6.339
344 H ALA 52 H ALA 52 14.128 0.424 -2.569
345 HA ALA 52 HA ALA 52 15.427 3.023 -2.679
346 HB1 ALA 52 3HB ALA 52 14.069 2.438 -0.727
347 HB2 ALA 52 1HB ALA 52 15.722 2.817 -0.259
348 HB3 ALA 52 2HB ALA 52 15.193 1.143 -0.321
349 HA ALA 301 HA ALA 301 3.052 8.786 -4.562
350 HB1 ALA 301 2HB ALA 301 2.766 6.862 -3.107
351 HB2 ALA 301 3HB ALA 301 2.551 7.922 -1.721
352 HB3 ALA 301 1HB ALA 301 4.117 7.855 -2.543
353 H ARG 302 H ARG 302 1.288 7.011 -4.542
354 HA ARG 302 HA ARG 302 -1.286 8.391 -4.294
355 HB2 ARG 302 2HB ARG 302 -0.492 6.133 -6.137
356 HB3 ARG 302 1HB ARG 302 -2.133 6.740 -5.976
357 HG2 ARG 302 2HG ARG 302 -1.358 8.951 -6.733
358 HG3 ARG 302 1HG ARG 302 0.260 8.291 -6.946
359 HD2 ARG 302 2HD ARG 302 -0.554 6.760 -8.651
360 HD3 ARG 302 1HD ARG 302 -2.212 7.321 -8.377
361 HE ARG 302 HE ARG 302 -0.387 9.424 -9.007
362 HH11 ARG 302 1HH1 ARG 302 -2.490 6.976 -10.498
363 HH12 ARG 302 2HH1 ARG 302 -2.642 7.822 -11.951
364 HH21 ARG 302 1HH2 ARG 302 -0.650 10.572 -10.962
365 HH22 ARG 302 2HH2 ARG 302 -1.595 9.941 -12.240
366 H THR 303 H THR 303 -2.784 7.637 -2.952
367 HA THR 303 HA THR 303 -2.359 5.004 -1.787
368 HB THR 303 HB THR 303 -3.573 6.021 0.191
369 HG1 THR 303 1HG THR 303 -3.856 8.201 0.252
370 HG21 THR 303 3HG2 THR 303 -1.548 7.048 1.082
371 HG22 THR 303 1HG2 THR 303 -0.902 7.182 -0.567
372 HG23 THR 303 2HG2 THR 303 -1.201 5.583 0.132
373 H M3L 304 H M3L 304 -4.384 4.051 -1.023
374 HA M3L 304 HA M3L 304 -6.950 5.003 -2.019
375 HB2 M3L 304 1HB M3L 304 -6.051 4.185 -4.169
376 HB3 M3L 304 2HB M3L 304 -7.331 3.112 -3.609
377 HG2 M3L 304 1HG M3L 304 -5.735 1.576 -2.758
378 HG3 M3L 304 2HG M3L 304 -4.427 2.680 -3.183
379 HD2 M3L 304 1HD M3L 304 -4.341 1.083 -4.785
380 HD3 M3L 304 2HD M3L 304 -5.096 2.484 -5.525
381 HE2 M3L 304 1HE M3L 304 -7.282 1.445 -5.414
382 HE3 M3L 304 2HE M3L 304 -6.554 0.106 -4.513
383 HM11 M3L 304 1HM1 M3L 304 -3.990 -0.133 -6.216
384 HM12 M3L 304 2HM1 M3L 304 -4.582 -1.203 -7.403
385 HM13 M3L 304 3HM1 M3L 304 -4.940 -1.508 -5.735
386 HM21 M3L 304 1HM2 M3L 304 -5.781 0.761 -8.660
387 HM22 M3L 304 2HM2 M3L 304 -4.904 1.709 -7.509
388 HM23 M3L 304 3HM2 M3L 304 -6.599 1.936 -7.686
389 HM31 M3L 304 3HM3 M3L 304 -8.143 -0.317 -6.862
390 HM32 M3L 304 1HM3 M3L 304 -7.156 -1.702 -6.516
391 HM33 M3L 304 2HM3 M3L 304 -7.129 -0.980 -8.085
392 H GLN 305 H GLN 305 -8.610 3.248 -1.824
393 HA GLN 305 HA GLN 305 -8.019 1.166 0.111
394 HB2 GLN 305 2HB GLN 305 -10.231 3.214 0.405
395 HB3 GLN 305 1HB GLN 305 -10.128 1.718 1.317
396 HG2 GLN 305 2HG GLN 305 -8.068 2.471 2.355
397 HG3 GLN 305 1HG GLN 305 -8.110 3.957 1.411
398 HE21 GLN 305 1HE2 GLN 305 -9.654 5.529 1.905
399 HE22 GLN 305 2HE2 GLN 305 -10.473 5.544 3.404
400 H THR 306 H THR 306 -8.688 -0.591 -0.922
401 HA THR 306 HA THR 306 -10.706 -0.370 -2.986
402 HB THR 306 HB THR 306 -10.277 -2.801 -3.329
403 HG1 THR 306 1HG THR 306 -9.700 -3.009 -1.039
404 HG21 THR 306 3HG2 THR 306 -7.739 -1.131 -3.170
405 HG22 THR 306 1HG2 THR 306 -8.870 -1.118 -4.525
406 HG23 THR 306 2HG2 THR 306 -7.930 -2.567 -4.137
407 H ALA 307 H ALA 307 -12.787 -0.321 -2.342
408 HA ALA 307 HA ALA 307 -13.594 -1.416 0.147
409 HB1 ALA 307 1HB ALA 307 -15.321 -0.287 -2.074
410 HB2 ALA 307 2HB ALA 307 -14.624 0.613 -0.706
411 HB3 ALA 307 3HB ALA 307 -15.822 -0.627 -0.410
412 H ARG 308 H ARG 308 -13.816 -3.365 0.526
413 HA ARG 308 HA ARG 308 -14.965 -5.282 -1.395
414 HB2 ARG 308 2HB ARG 308 -13.418 -5.762 1.180
415 HB3 ARG 308 1HB ARG 308 -13.943 -6.991 0.054
416 HG2 ARG 308 2HG ARG 308 -11.866 -4.884 -0.500
417 HG3 ARG 308 1HG ARG 308 -11.542 -6.558 -0.063
418 HD2 ARG 308 2HD ARG 308 -12.729 -7.281 -2.094
419 HD3 ARG 308 1HD ARG 308 -12.956 -5.591 -2.552
420 HE ARG 308 HE ARG 308 -10.273 -5.976 -2.048
421 HH11 ARG 308 1HH1 ARG 308 -12.663 -7.075 -4.432
422 HH12 ARG 308 2HH1 ARG 308 -11.513 -7.315 -5.667
423 HH21 ARG 308 1HH2 ARG 308 -8.677 -6.344 -3.811
424 HH22 ARG 308 2HH2 ARG 308 -9.264 -6.879 -5.316
425 H LYS 309 H LYS 309 -16.073 -7.055 0.292
426 HA LYS 309 HA LYS 309 -17.989 -5.490 1.813
427 HB2 LYS 309 2HB LYS 309 -17.882 -8.456 1.282
428 HB3 LYS 309 1HB LYS 309 -19.184 -7.634 2.133
429 HG2 LYS 309 2HG LYS 309 -18.409 -7.211 -0.754
430 HG3 LYS 309 1HG LYS 309 -19.810 -8.082 -0.158
431 HD2 LYS 309 2HD LYS 309 -20.642 -6.030 0.914
432 HD3 LYS 309 1HD LYS 309 -19.241 -5.164 0.288
433 HE2 LYS 309 2HE LYS 309 -19.919 -5.674 -1.990
434 HE3 LYS 309 1HE LYS 309 -21.330 -6.525 -1.398
435 HZ1 LYS 309 3HZ LYS 309 -22.150 -4.470 -0.438
436 HZ2 LYS 309 1HZ LYS 309 -21.848 -4.274 -2.083
437 HZ3 LYS 309 2HZ LYS 309 -20.764 -3.650 -0.970
Start of MODEL 8
1 HA SER 1 HA SER 1 -7.167 -9.149 -0.519
2 HB2 SER 1 2HB SER 1 -7.841 -11.312 -1.577
3 HB3 SER 1 1HB SER 1 -6.179 -11.616 -2.023
4 HG SER 1 HG SER 1 -7.261 -11.457 0.608
5 H VAL 2 H VAL 2 -4.473 -9.771 -2.718
6 HA VAL 2 HA VAL 2 -2.614 -9.248 -0.532
7 HB VAL 2 HB VAL 2 -1.989 -10.764 -3.075
8 HG11 VAL 2 1HG1 VAL 2 -0.069 -11.666 -1.828
9 HG12 VAL 2 2HG1 VAL 2 -0.511 -10.657 -0.456
10 HG13 VAL 2 3HG1 VAL 2 -0.027 -9.916 -1.982
11 HG21 VAL 2 3HG2 VAL 2 -2.190 -12.876 -1.860
12 HG22 VAL 2 1HG2 VAL 2 -3.731 -12.033 -1.919
13 HG23 VAL 2 2HG2 VAL 2 -2.769 -12.020 -0.446
14 H CYS 3 H CYS 3 -0.969 -7.786 -1.049
15 HA CYS 3 HA CYS 3 -1.143 -6.330 -3.624
16 HB2 CYS 3 2HB CYS 3 -0.513 -4.379 -2.507
17 HB3 CYS 3 1HB CYS 3 -1.406 -5.179 -1.206
18 H ALA 4 H ALA 4 1.262 -5.396 -3.904
19 HA ALA 4 HA ALA 4 2.865 -7.897 -3.648
20 HB1 ALA 4 1HB ALA 4 2.479 -7.201 -5.956
21 HB2 ALA 4 2HB ALA 4 4.210 -7.254 -5.483
22 HB3 ALA 4 3HB ALA 4 3.354 -5.711 -5.546
23 H ALA 5 H ALA 5 3.089 -6.353 -1.414
24 HA ALA 5 HA ALA 5 5.910 -5.794 -1.532
25 HB1 ALA 5 1HB ALA 5 4.418 -4.427 -0.134
26 HB2 ALA 5 2HB ALA 5 5.710 -5.165 0.814
27 HB3 ALA 5 3HB ALA 5 4.081 -5.830 0.882
28 H GLN 6 H GLN 6 7.539 -6.923 -0.630
29 HA GLN 6 HA GLN 6 7.670 -9.656 -0.645
30 HB2 GLN 6 2HB GLN 6 9.614 -8.168 -0.696
31 HB3 GLN 6 1HB GLN 6 9.326 -7.735 0.982
32 HG2 GLN 6 2HG GLN 6 9.782 -10.025 1.672
33 HG3 GLN 6 1HG GLN 6 10.015 -10.480 -0.018
34 HE21 GLN 6 1HE2 GLN 6 11.393 -8.790 2.692
35 HE22 GLN 6 2HE2 GLN 6 12.967 -8.630 1.998
36 H ASN 7 H ASN 7 7.190 -7.746 2.256
37 HA ASN 7 HA ASN 7 6.922 -10.223 3.842
38 HB2 ASN 7 2HB ASN 7 8.502 -8.393 4.425
39 HB3 ASN 7 1HB ASN 7 7.131 -7.346 4.751
40 HD21 ASN 7 1HD2 ASN 7 5.916 -7.718 6.663
41 HD22 ASN 7 2HD2 ASN 7 6.497 -8.716 7.950
42 H CYS 8 H CYS 8 4.785 -9.432 2.049
43 HA CYS 8 HA CYS 8 2.902 -8.008 3.578
44 HB2 CYS 8 2HB CYS 8 3.024 -7.608 1.229
45 HB3 CYS 8 1HB CYS 8 2.630 -9.283 0.882
46 H GLN 9 H GLN 9 1.082 -8.466 3.937
47 HA GLN 9 HA GLN 9 0.160 -11.198 4.775
48 HB2 GLN 9 2HB GLN 9 -0.360 -8.646 6.306
49 HB3 GLN 9 1HB GLN 9 -0.978 -10.227 6.740
50 HG2 GLN 9 2HG GLN 9 1.299 -11.024 7.106
51 HG3 GLN 9 1HG GLN 9 1.942 -9.464 6.624
52 HE21 GLN 9 1HE2 GLN 9 2.210 -10.901 9.144
53 HE22 GLN 9 2HE2 GLN 9 1.599 -9.822 10.337
54 H ARG 10 H ARG 10 -2.271 -11.451 4.956
55 HA ARG 10 HA ARG 10 -3.607 -9.863 2.917
56 HB2 ARG 10 2HB ARG 10 -4.257 -12.624 3.996
57 HB3 ARG 10 1HB ARG 10 -5.043 -11.807 2.647
58 HG2 ARG 10 2HG ARG 10 -2.996 -11.878 1.381
59 HG3 ARG 10 1HG ARG 10 -2.151 -12.641 2.713
60 HD2 ARG 10 2HD ARG 10 -2.771 -14.331 1.060
61 HD3 ARG 10 1HD ARG 10 -3.655 -14.589 2.564
62 HE ARG 10 HE ARG 10 -5.170 -13.019 0.780
63 HH11 ARG 10 1HH1 ARG 10 -4.105 -16.349 1.276
64 HH12 ARG 10 2HH1 ARG 10 -5.407 -17.059 0.448
65 HH21 ARG 10 1HH2 ARG 10 -6.939 -13.939 -0.341
66 HH22 ARG 10 2HH2 ARG 10 -7.117 -15.632 -0.499
67 HA PRO 11 HA PRO 11 -6.113 -8.765 6.624
68 HB2 PRO 11 2HB PRO 11 -5.743 -6.185 6.523
69 HB3 PRO 11 1HB PRO 11 -4.353 -7.187 6.944
70 HG2 PRO 11 2HG PRO 11 -5.004 -5.830 4.351
71 HG3 PRO 11 1HG PRO 11 -3.428 -6.068 5.134
72 HD2 PRO 11 2HD PRO 11 -4.463 -7.746 3.025
73 HD3 PRO 11 1HD PRO 11 -3.121 -8.030 4.100
74 H CYS 12 H CYS 12 -7.139 -9.416 3.994
75 HA CYS 12 HA CYS 12 -8.295 -7.129 2.846
76 HB2 CYS 12 2HB CYS 12 -9.337 -8.714 1.223
77 HB3 CYS 12 1HB CYS 12 -7.576 -8.725 1.359
78 HG CYS 12 HG CYS 12 -9.609 -11.031 2.860
79 H LYS 13 H LYS 13 -9.445 -6.445 4.742
80 HA LYS 13 HA LYS 13 -12.184 -7.325 4.940
81 HB2 LYS 13 2HB LYS 13 -10.818 -4.751 5.765
82 HB3 LYS 13 1HB LYS 13 -12.465 -5.181 6.191
83 HG2 LYS 13 2HG LYS 13 -11.619 -7.103 7.472
84 HG3 LYS 13 1HG LYS 13 -9.971 -6.638 7.049
85 HD2 LYS 13 2HD LYS 13 -11.891 -4.815 8.460
86 HD3 LYS 13 1HD LYS 13 -10.760 -5.864 9.338
87 HE2 LYS 13 2HE LYS 13 -10.039 -3.690 7.345
88 HE3 LYS 13 1HE LYS 13 -9.973 -3.536 9.096
89 HZ1 LYS 13 3HZ LYS 13 -7.792 -4.032 8.231
90 HZ2 LYS 13 1HZ LYS 13 -8.344 -5.473 7.510
91 HZ3 LYS 13 2HZ LYS 13 -8.368 -5.310 9.165
92 H ASP 14 H ASP 14 -13.694 -5.057 4.600
93 HA ASP 14 HA ASP 14 -13.830 -4.730 1.818
94 HB2 ASP 14 2HB ASP 14 -15.191 -3.303 4.075
95 HB3 ASP 14 1HB ASP 14 -15.294 -2.656 2.430
96 H LYS 15 H LYS 15 -13.225 -2.063 4.104
97 HA LYS 15 HA LYS 15 -11.842 -0.678 2.000
98 HB2 LYS 15 2HB LYS 15 -12.588 0.168 4.790
99 HB3 LYS 15 1HB LYS 15 -12.140 1.220 3.448
100 HG2 LYS 15 2HG LYS 15 -14.141 0.612 2.245
101 HG3 LYS 15 1HG LYS 15 -14.554 -0.568 3.482
102 HD2 LYS 15 2HD LYS 15 -14.591 1.310 5.112
103 HD3 LYS 15 1HD LYS 15 -14.462 2.426 3.752
104 HE2 LYS 15 2HE LYS 15 -16.617 0.367 4.139
105 HE3 LYS 15 1HE LYS 15 -16.847 2.092 4.445
106 HZ1 LYS 15 3HZ LYS 15 -17.736 1.483 2.310
107 HZ2 LYS 15 1HZ LYS 15 -16.273 0.815 1.820
108 HZ3 LYS 15 2HZ LYS 15 -16.419 2.475 2.081
109 H VAL 16 H VAL 16 -9.721 -0.876 1.878
110 HA VAL 16 HA VAL 16 -8.154 -1.110 4.296
111 HB VAL 16 HB VAL 16 -6.660 -2.821 3.196
112 HG11 VAL 16 1HG1 VAL 16 -8.285 -3.527 4.872
113 HG12 VAL 16 2HG1 VAL 16 -8.120 -4.759 3.626
114 HG13 VAL 16 3HG1 VAL 16 -9.520 -3.694 3.636
115 HG21 VAL 16 3HG2 VAL 16 -7.510 -4.106 1.284
116 HG22 VAL 16 1HG2 VAL 16 -7.338 -2.400 0.876
117 HG23 VAL 16 2HG2 VAL 16 -8.939 -3.078 1.207
118 H ASP 17 H ASP 17 -5.856 -0.429 3.973
119 HA ASP 17 HA ASP 17 -5.852 1.810 2.186
120 HB2 ASP 17 2HB ASP 17 -3.840 0.991 4.282
121 HB3 ASP 17 1HB ASP 17 -3.988 2.571 3.506
122 H TRP 18 H TRP 18 -4.402 2.128 0.690
123 HA TRP 18 HA TRP 18 -2.379 0.028 -0.012
124 HB2 TRP 18 2HB TRP 18 -4.004 1.641 -1.945
125 HB3 TRP 18 1HB TRP 18 -2.820 0.424 -2.369
126 HD1 TRP 18 HD TRP 18 -6.178 0.420 -0.358
127 HE1 TRP 18 1HE TRP 18 -7.484 -1.688 -1.048
128 HE3 TRP 18 3HE TRP 18 -2.933 -1.489 -3.680
129 HZ2 TRP 18 2HZ TRP 18 -7.205 -3.817 -2.782
130 HZ3 TRP 18 3HZ TRP 18 -3.502 -3.570 -4.894
131 HH2 TRP 18 HH TRP 18 -5.576 -4.690 -4.490
132 H VAL 19 H VAL 19 -0.488 0.914 -1.422
133 HA VAL 19 HA VAL 19 -0.110 3.815 -1.315
134 HB VAL 19 HB VAL 19 2.054 1.860 -0.869
135 HG11 VAL 19 1HG1 VAL 19 3.281 3.744 0.132
136 HG12 VAL 19 2HG1 VAL 19 1.893 4.776 -0.225
137 HG13 VAL 19 3HG1 VAL 19 2.782 3.998 -1.542
138 HG21 VAL 19 3HG2 VAL 19 0.674 1.373 0.988
139 HG22 VAL 19 1HG2 VAL 19 0.532 3.102 1.406
140 HG23 VAL 19 2HG2 VAL 19 2.104 2.255 1.503
141 H GLN 20 H GLN 20 0.825 4.396 -3.222
142 HA GLN 20 HA GLN 20 1.947 2.266 -4.905
143 HB2 GLN 20 2HB GLN 20 0.218 3.652 -5.991
144 HB3 GLN 20 1HB GLN 20 1.164 5.054 -5.665
145 HG2 GLN 20 2HG GLN 20 2.836 4.555 -7.175
146 HG3 GLN 20 1HG GLN 20 2.373 2.848 -7.258
147 HE21 GLN 20 1HE2 GLN 20 0.867 2.243 -8.660
148 HE22 GLN 20 2HE2 GLN 20 0.216 3.273 -9.871
149 H CYS 21 H CYS 21 4.087 2.150 -5.345
150 HA CYS 21 HA CYS 21 5.932 3.841 -3.943
151 HB2 CYS 21 2HB CYS 21 6.097 1.328 -4.552
152 HB3 CYS 21 1HB CYS 21 6.365 1.916 -6.144
153 H ASP 22 H ASP 22 7.073 5.523 -4.815
154 HA ASP 22 HA ASP 22 6.591 6.291 -7.637
155 HB2 ASP 22 2HB ASP 22 7.868 7.813 -5.360
156 HB3 ASP 22 1HB ASP 22 7.725 8.418 -7.005
157 H GLY 23 H GLY 23 8.555 4.145 -6.414
158 HA2 GLY 23 2HA GLY 23 11.067 5.379 -7.189
159 HA3 GLY 23 1HA GLY 23 10.905 3.901 -6.252
160 H GLY 24 H GLY 24 8.790 3.794 -8.742
161 HA2 GLY 24 2HA GLY 24 9.391 3.348 -11.122
162 HA3 GLY 24 1HA GLY 24 10.819 2.532 -10.503
163 H CYS 25 H CYS 25 9.109 1.087 -8.462
164 HA CYS 25 HA CYS 25 8.369 -1.031 -10.286
165 HB2 CYS 25 2HB CYS 25 7.786 -2.426 -8.406
166 HB3 CYS 25 1HB CYS 25 9.273 -1.589 -8.036
167 H ASP 26 H ASP 26 6.701 1.617 -9.069
168 HA ASP 26 HA ASP 26 4.512 2.251 -8.749
169 HB2 ASP 26 2HB ASP 26 4.273 0.662 -11.313
170 HB3 ASP 26 1HB ASP 26 3.044 1.748 -10.705
171 H GLU 27 H GLU 27 5.156 -0.408 -7.625
172 HA GLU 27 HA GLU 27 2.717 -1.904 -7.895
173 HB2 GLU 27 2HB GLU 27 5.076 -2.376 -6.059
174 HB3 GLU 27 1HB GLU 27 3.719 -3.458 -6.258
175 HG2 GLU 27 2HG GLU 27 4.259 -3.728 -8.643
176 HG3 GLU 27 1HG GLU 27 5.655 -2.681 -8.431
177 H TRP 28 H TRP 28 1.189 -2.257 -6.325
178 HA TRP 28 HA TRP 28 0.998 -0.090 -4.427
179 HB2 TRP 28 2HB TRP 28 -1.081 -2.026 -5.433
180 HB3 TRP 28 1HB TRP 28 -1.318 -0.817 -4.151
181 HD1 TRP 28 HD TRP 28 -0.868 -1.119 -7.946
182 HE1 TRP 28 1HE TRP 28 -1.670 1.049 -9.011
183 HE3 TRP 28 3HE TRP 28 -1.676 1.586 -3.719
184 HZ2 TRP 28 2HZ TRP 28 -2.550 3.608 -8.174
185 HZ3 TRP 28 3HZ TRP 28 -2.536 3.889 -3.957
186 HH2 TRP 28 HH TRP 28 -2.982 4.847 -6.083
187 H PHE 29 H PHE 29 1.043 -0.396 -2.399
188 HA PHE 29 HA PHE 29 1.366 -3.149 -1.335
189 HB2 PHE 29 2HB PHE 29 2.426 -0.703 -0.027
190 HB3 PHE 29 1HB PHE 29 2.916 -2.364 0.180
191 HD1 PHE 29 2HD PHE 29 4.016 -3.476 -1.997
192 HD2 PHE 29 1HD PHE 29 3.688 0.727 -1.229
193 HE1 PHE 29 2HE PHE 29 5.893 -3.017 -3.506
194 HE2 PHE 29 1HE PHE 29 5.517 1.148 -2.675
195 HZ PHE 29 HZ PHE 29 6.645 -0.675 -3.842
196 H HIS 30 H HIS 30 0.923 -3.172 1.016
197 HA HIS 30 HA HIS 30 -1.341 -1.394 1.774
198 HB2 HIS 30 2HB HIS 30 -0.201 -3.754 3.296
199 HB3 HIS 30 1HB HIS 30 -1.561 -2.785 3.805
200 HD2 HIS 30 2HD HIS 30 -4.024 -3.590 2.658
201 HE1 HIS 30 1HE HIS 30 -2.426 -7.188 1.067
202 HE2 HIS 30 2HE HIS 30 -4.477 -5.721 1.294
203 H GLN 31 H GLN 31 -0.936 0.129 3.379
204 HA GLN 31 HA GLN 31 1.517 1.190 3.772
205 HB2 GLN 31 2HB GLN 31 -0.699 1.183 5.820
206 HB3 GLN 31 1HB GLN 31 0.604 2.352 5.595
207 HG2 GLN 31 2HG GLN 31 -0.701 1.945 3.193
208 HG3 GLN 31 1HG GLN 31 -1.950 2.449 4.368
209 HE21 GLN 31 1HE2 GLN 31 -1.222 3.900 2.088
210 HE22 GLN 31 2HE2 GLN 31 -0.434 5.350 2.577
211 H VAL 32 H VAL 32 -0.066 -1.175 5.955
212 HA VAL 32 HA VAL 32 2.023 -1.143 7.858
213 HB VAL 32 HB VAL 32 0.894 -3.061 8.886
214 HG11 VAL 32 1HG1 VAL 32 -1.003 -0.875 8.046
215 HG12 VAL 32 2HG1 VAL 32 0.117 -0.819 9.414
216 HG13 VAL 32 3HG1 VAL 32 -1.219 -1.968 9.410
217 HG21 VAL 32 3HG2 VAL 32 -0.924 -2.927 6.477
218 HG22 VAL 32 1HG2 VAL 32 -1.210 -3.937 7.907
219 HG23 VAL 32 2HG2 VAL 32 0.207 -4.205 6.858
220 H CYS 33 H CYS 33 1.652 -3.020 4.885
221 HA CYS 33 HA CYS 33 3.276 -5.174 5.951
222 HB2 CYS 33 2HB CYS 33 2.896 -6.237 3.743
223 HB3 CYS 33 1HB CYS 33 1.333 -5.771 4.460
224 H VAL 34 H VAL 34 3.794 -2.221 4.151
225 HA VAL 34 HA VAL 34 6.356 -3.207 3.324
226 HB VAL 34 HB VAL 34 4.783 -2.469 1.503
227 HG11 VAL 34 1HG1 VAL 34 4.286 -0.145 1.212
228 HG12 VAL 34 2HG1 VAL 34 5.005 0.190 2.776
229 HG13 VAL 34 3HG1 VAL 34 3.505 -0.761 2.677
230 HG21 VAL 34 3HG2 VAL 34 6.318 -0.957 0.423
231 HG22 VAL 34 1HG2 VAL 34 7.096 -2.370 1.212
232 HG23 VAL 34 2HG2 VAL 34 7.107 -0.789 2.032
233 H GLY 35 H GLY 35 5.147 -1.804 5.901
234 HA2 GLY 35 2HA GLY 35 5.905 -0.309 7.511
235 HA3 GLY 35 1HA GLY 35 7.396 -0.282 6.611
236 H VAL 36 H VAL 36 4.145 0.938 5.726
237 HA VAL 36 HA VAL 36 5.331 3.619 5.440
238 HB VAL 36 HB VAL 36 2.631 2.625 4.432
239 HG11 VAL 36 1HG1 VAL 36 4.104 5.062 3.636
240 HG12 VAL 36 2HG1 VAL 36 2.727 5.033 4.797
241 HG13 VAL 36 3HG1 VAL 36 2.520 4.482 3.115
242 HG21 VAL 36 3HG2 VAL 36 3.858 1.624 2.878
243 HG22 VAL 36 1HG2 VAL 36 5.220 2.829 3.039
244 HG23 VAL 36 2HG2 VAL 36 3.715 3.321 2.350
245 H SER 37 H SER 37 4.201 5.472 6.556
246 HA SER 37 HA SER 37 2.071 4.698 8.291
247 HB2 SER 37 2HB SER 37 4.188 6.897 8.533
248 HB3 SER 37 1HB SER 37 2.903 6.585 9.694
249 HG SER 37 HG SER 37 4.265 4.321 9.300
250 HA PRO 38 HA PRO 38 -0.595 7.062 5.635
251 HB2 PRO 38 2HB PRO 38 -1.377 9.002 7.593
252 HB3 PRO 38 1HB PRO 38 -2.302 7.583 7.089
253 HG2 PRO 38 2HG PRO 38 -0.551 8.016 9.432
254 HG3 PRO 38 1HG PRO 38 -1.896 6.875 9.251
255 HD2 PRO 38 2HD PRO 38 0.646 6.043 9.321
256 HD3 PRO 38 1HD PRO 38 -0.534 5.267 8.236
257 H GLU 39 H GLU 39 1.056 9.253 7.831
258 HA GLU 39 HA GLU 39 0.920 11.520 6.153
259 HB2 GLU 39 2HB GLU 39 2.965 10.952 8.295
260 HB3 GLU 39 1HB GLU 39 2.609 12.522 7.582
261 HG2 GLU 39 2HG GLU 39 0.696 10.851 9.192
262 HG3 GLU 39 1HG GLU 39 1.608 12.252 9.766
263 H MET 40 H MET 40 3.139 8.898 6.262
264 HA MET 40 HA MET 40 5.305 10.288 4.974
265 HB2 MET 40 2HB MET 40 4.884 7.336 5.358
266 HB3 MET 40 1HB MET 40 6.347 8.050 4.708
267 HG2 MET 40 2HG MET 40 5.237 8.480 7.468
268 HG3 MET 40 1HG MET 40 6.611 7.467 7.049
269 HE1 MET 40 3HE MET 40 9.210 10.172 5.819
270 HE2 MET 40 1HE MET 40 8.042 9.328 4.801
271 HE3 MET 40 2HE MET 40 8.913 8.453 6.066
272 H ALA 41 H ALA 41 2.948 7.830 3.879
273 HA ALA 41 HA ALA 41 3.909 7.893 1.194
274 HB1 ALA 41 1HB ALA 41 1.415 6.875 2.415
275 HB2 ALA 41 2HB ALA 41 2.875 5.899 1.973
276 HB3 ALA 41 3HB ALA 41 1.871 6.675 0.734
277 H GLU 42 H GLU 42 1.420 9.747 2.910
278 HA GLU 42 HA GLU 42 0.218 10.406 0.397
279 HB2 GLU 42 2HB GLU 42 -0.425 11.328 3.200
280 HB3 GLU 42 1HB GLU 42 -1.339 11.781 1.762
281 HG2 GLU 42 2HG GLU 42 -1.891 9.401 1.413
282 HG3 GLU 42 1HG GLU 42 -1.017 9.005 2.890
283 H ASN 43 H ASN 43 2.567 11.525 2.457
284 HA ASN 43 HA ASN 43 2.368 14.301 1.409
285 HB2 ASN 43 2HB ASN 43 2.582 14.048 3.893
286 HB3 ASN 43 1HB ASN 43 4.214 13.439 3.613
287 HD21 ASN 43 1HD2 ASN 43 5.815 14.868 3.027
288 HD22 ASN 43 2HD2 ASN 43 5.638 16.567 3.123
289 H GLU 44 H GLU 44 4.832 11.737 1.488
290 HA GLU 44 HA GLU 44 6.188 13.388 -0.487
291 HB2 GLU 44 2HB GLU 44 7.729 11.740 1.558
292 HB3 GLU 44 1HB GLU 44 8.431 12.755 0.316
293 HG2 GLU 44 2HG GLU 44 7.257 14.717 1.393
294 HG3 GLU 44 1HG GLU 44 6.858 13.608 2.701
295 H ASP 45 H ASP 45 7.765 12.047 -1.908
296 HA ASP 45 HA ASP 45 6.328 9.974 -3.044
297 HB2 ASP 45 2HB ASP 45 8.373 9.643 -4.456
298 HB3 ASP 45 1HB ASP 45 7.851 11.315 -4.355
299 H TYR 46 H TYR 46 6.111 7.952 -2.512
300 HA TYR 46 HA TYR 46 7.970 7.014 -0.480
301 HB2 TYR 46 2HB TYR 46 5.639 6.920 0.266
302 HB3 TYR 46 1HB TYR 46 5.260 5.789 -1.044
303 HD1 TYR 46 2HD TYR 46 7.625 6.185 1.848
304 HD2 TYR 46 1HD TYR 46 5.473 3.633 -0.672
305 HE1 TYR 46 2HE TYR 46 8.446 4.286 3.168
306 HE2 TYR 46 1HE TYR 46 6.279 1.636 0.578
307 HH TYR 46 HH TYR 46 7.750 1.896 3.646
308 H ILE 47 H ILE 47 9.118 5.725 -0.630
309 HA ILE 47 HA ILE 47 9.568 4.174 -3.164
310 HB ILE 47 HB ILE 47 11.780 5.057 -1.277
311 HG12 ILE 47 2HG1 ILE 47 10.702 7.039 -2.266
312 HG13 ILE 47 1HG1 ILE 47 12.344 6.825 -2.894
313 HG21 ILE 47 1HG2 ILE 47 12.360 3.129 -2.590
314 HG22 ILE 47 2HG2 ILE 47 13.284 4.526 -3.150
315 HG23 ILE 47 3HG2 ILE 47 11.904 3.966 -4.074
316 HD11 ILE 47 3HD1 ILE 47 11.401 5.928 -4.954
317 HD12 ILE 47 1HD1 ILE 47 10.768 7.534 -4.604
318 HD13 ILE 47 2HD1 ILE 47 9.780 6.098 -4.298
319 H CYS 48 H CYS 48 9.358 2.079 -2.918
320 HA CYS 48 HA CYS 48 9.412 0.844 -0.301
321 HB2 CYS 48 2HB CYS 48 8.769 -1.163 -1.324
322 HB3 CYS 48 1HB CYS 48 7.926 0.050 -2.262
323 H ILE 49 H ILE 49 10.862 -1.211 0.018
324 HA ILE 49 HA ILE 49 13.465 -0.342 -0.137
325 HB ILE 49 HB ILE 49 14.060 -2.422 0.870
326 HG12 ILE 49 2HG1 ILE 49 12.264 -3.667 1.721
327 HG13 ILE 49 1HG1 ILE 49 11.150 -3.126 0.475
328 HG21 ILE 49 1HG2 ILE 49 12.623 -2.046 2.866
329 HG22 ILE 49 2HG2 ILE 49 11.618 -1.094 1.732
330 HG23 ILE 49 3HG2 ILE 49 13.254 -0.538 2.116
331 HD11 ILE 49 3HD1 ILE 49 13.670 -4.811 0.113
332 HD12 ILE 49 1HD1 ILE 49 12.752 -4.129 -1.227
333 HD13 ILE 49 2HD1 ILE 49 12.016 -5.341 -0.183
334 H ASN 50 H ASN 50 11.647 -2.042 -2.218
335 HA ASN 50 HA ASN 50 13.670 -3.494 -3.694
336 HB2 ASN 50 2HB ASN 50 10.870 -2.728 -4.609
337 HB3 ASN 50 1HB ASN 50 11.981 -3.716 -5.546
338 HD21 ASN 50 1HD2 ASN 50 9.311 -4.374 -4.574
339 HD22 ASN 50 2HD2 ASN 50 9.511 -5.740 -3.544
340 H CYS 51 H CYS 51 12.415 -0.263 -3.807
341 HA CYS 51 HA CYS 51 13.853 0.277 -6.319
342 HB2 CYS 51 2HB CYS 51 11.602 1.848 -5.010
343 HB3 CYS 51 1HB CYS 51 12.337 2.283 -6.545
344 H ALA 52 H ALA 52 14.212 0.491 -3.099
345 HA ALA 52 HA ALA 52 15.272 3.072 -2.656
346 HB1 ALA 52 3HB ALA 52 15.970 0.507 -1.250
347 HB2 ALA 52 1HB ALA 52 14.635 1.575 -0.832
348 HB3 ALA 52 2HB ALA 52 16.310 2.127 -0.638
349 HA ALA 301 HA ALA 301 3.237 8.979 -4.613
350 HB1 ALA 301 2HB ALA 301 2.646 7.841 -1.868
351 HB2 ALA 301 3HB ALA 301 4.211 7.788 -2.699
352 HB3 ALA 301 1HB ALA 301 2.822 6.941 -3.369
353 H ARG 302 H ARG 302 1.407 7.217 -4.670
354 HA ARG 302 HA ARG 302 -1.113 8.676 -4.433
355 HB2 ARG 302 2HB ARG 302 -0.352 6.452 -6.357
356 HB3 ARG 302 1HB ARG 302 -1.928 7.205 -6.253
357 HG2 ARG 302 2HG ARG 302 -0.996 9.349 -6.894
358 HG3 ARG 302 1HG ARG 302 0.617 8.636 -6.946
359 HD2 ARG 302 2HD ARG 302 -0.077 7.177 -8.772
360 HD3 ARG 302 1HD ARG 302 -1.713 7.829 -8.684
361 HE ARG 302 HE ARG 302 -0.054 9.980 -8.998
362 HH11 ARG 302 1HH1 ARG 302 -0.813 7.114 -10.941
363 HH12 ARG 302 2HH1 ARG 302 -0.536 7.886 -12.431
364 HH21 ARG 302 1HH2 ARG 302 0.261 11.041 -11.045
365 HH22 ARG 302 2HH2 ARG 302 0.068 10.182 -12.487
366 H THR 303 H THR 303 -2.473 7.921 -2.935
367 HA THR 303 HA THR 303 -2.063 5.180 -2.062
368 HB THR 303 HB THR 303 -3.205 6.042 0.052
369 HG1 THR 303 1HG THR 303 -3.250 8.249 0.333
370 HG21 THR 303 3HG2 THR 303 -1.122 6.922 0.945
371 HG22 THR 303 1HG2 THR 303 -0.548 7.233 -0.716
372 HG23 THR 303 2HG2 THR 303 -0.860 5.580 -0.192
373 H M3L 304 H M3L 304 -4.038 4.105 -1.403
374 HA M3L 304 HA M3L 304 -6.526 5.309 -2.293
375 HB2 M3L 304 1HB M3L 304 -5.828 4.219 -4.415
376 HB3 M3L 304 2HB M3L 304 -7.210 3.357 -3.665
377 HG2 M3L 304 1HG M3L 304 -5.725 1.789 -2.705
378 HG3 M3L 304 2HG M3L 304 -4.392 2.463 -3.657
379 HD2 M3L 304 1HD M3L 304 -6.869 1.139 -4.721
380 HD3 M3L 304 2HD M3L 304 -5.198 0.515 -4.753
381 HE2 M3L 304 1HE M3L 304 -4.544 2.416 -6.112
382 HE3 M3L 304 2HE M3L 304 -6.246 2.846 -6.177
383 HM11 M3L 304 1HM1 M3L 304 -5.120 -0.770 -6.222
384 HM12 M3L 304 2HM1 M3L 304 -3.849 0.040 -7.061
385 HM13 M3L 304 3HM1 M3L 304 -5.021 -0.851 -7.940
386 HM21 M3L 304 1HM2 M3L 304 -4.545 2.485 -8.272
387 HM22 M3L 304 2HM2 M3L 304 -6.127 2.362 -8.957
388 HM23 M3L 304 3HM2 M3L 304 -4.942 1.132 -9.272
389 HM31 M3L 304 3HM3 M3L 304 -7.220 -0.470 -7.320
390 HM32 M3L 304 1HM3 M3L 304 -7.585 0.875 -8.336
391 HM33 M3L 304 2HM3 M3L 304 -7.784 1.000 -6.624
392 H GLN 305 H GLN 305 -8.301 3.714 -2.035
393 HA GLN 305 HA GLN 305 -7.959 1.696 -0.019
394 HB2 GLN 305 2HB GLN 305 -9.750 4.108 0.405
395 HB3 GLN 305 1HB GLN 305 -9.999 2.591 1.258
396 HG2 GLN 305 2HG GLN 305 -7.868 2.773 2.295
397 HG3 GLN 305 1HG GLN 305 -7.482 4.242 1.399
398 HE21 GLN 305 1HE2 GLN 305 -7.545 3.859 4.296
399 HE22 GLN 305 2HE2 GLN 305 -8.767 4.921 4.871
400 H THR 306 H THR 306 -9.197 0.077 -0.507
401 HA THR 306 HA THR 306 -11.048 0.443 -2.737
402 HB THR 306 HB THR 306 -10.721 -1.994 -3.075
403 HG1 THR 306 1HG THR 306 -10.110 -2.562 -0.946
404 HG21 THR 306 3HG2 THR 306 -8.142 -0.389 -2.968
405 HG22 THR 306 1HG2 THR 306 -9.278 -0.345 -4.319
406 HG23 THR 306 2HG2 THR 306 -8.371 -1.814 -3.918
407 H ALA 307 H ALA 307 -12.787 -1.372 -2.703
408 HA ALA 307 HA ALA 307 -13.768 -2.014 -0.037
409 HB1 ALA 307 1HB ALA 307 -14.924 0.072 -0.672
410 HB2 ALA 307 2HB ALA 307 -16.023 -1.308 -0.674
411 HB3 ALA 307 3HB ALA 307 -15.423 -0.663 -2.202
412 H ARG 308 H ARG 308 -14.449 -4.071 -0.049
413 HA ARG 308 HA ARG 308 -14.154 -5.436 -2.566
414 HB2 ARG 308 2HB ARG 308 -14.437 -6.551 0.217
415 HB3 ARG 308 1HB ARG 308 -14.248 -7.521 -1.236
416 HG2 ARG 308 2HG ARG 308 -12.220 -5.524 -0.176
417 HG3 ARG 308 1HG ARG 308 -12.116 -7.283 -0.081
418 HD2 ARG 308 2HD ARG 308 -12.181 -5.645 -2.610
419 HD3 ARG 308 1HD ARG 308 -10.766 -6.401 -1.891
420 HE ARG 308 HE ARG 308 -12.480 -8.478 -2.234
421 HH11 ARG 308 1HH1 ARG 308 -11.280 -6.002 -4.480
422 HH12 ARG 308 2HH1 ARG 308 -11.317 -7.031 -5.831
423 HH21 ARG 308 1HH2 ARG 308 -12.535 -9.870 -4.104
424 HH22 ARG 308 2HH2 ARG 308 -12.017 -9.271 -5.613
425 H LYS 309 H LYS 309 -16.701 -5.311 -0.056
426 HA LYS 309 HA LYS 309 -18.455 -6.873 -1.671
427 HB2 LYS 309 2HB LYS 309 -19.039 -5.118 0.716
428 HB3 LYS 309 1HB LYS 309 -20.150 -6.292 0.004
429 HG2 LYS 309 2HG LYS 309 -18.660 -8.093 0.592
430 HG3 LYS 309 1HG LYS 309 -17.475 -6.955 1.216
431 HD2 LYS 309 2HD LYS 309 -19.117 -6.184 2.867
432 HD3 LYS 309 1HD LYS 309 -20.264 -7.376 2.272
433 HE2 LYS 309 2HE LYS 309 -18.638 -9.159 2.843
434 HE3 LYS 309 1HE LYS 309 -17.577 -7.921 3.502
435 HZ1 LYS 309 3HZ LYS 309 -20.321 -8.452 4.470
436 HZ2 LYS 309 1HZ LYS 309 -19.246 -7.335 5.108
437 HZ3 LYS 309 2HZ LYS 309 -18.915 -8.981 5.243
Start of MODEL 9
1 HA SER 1 HA SER 1 -6.117 -10.042 -3.107
2 HB2 SER 1 2HB SER 1 -6.480 -7.033 -2.995
3 HB3 SER 1 1HB SER 1 -5.658 -7.907 -4.292
4 HG SER 1 HG SER 1 -8.392 -7.780 -3.668
5 H VAL 2 H VAL 2 -3.831 -9.737 -3.514
6 HA VAL 2 HA VAL 2 -2.388 -9.018 -1.086
7 HB VAL 2 HB VAL 2 -1.490 -10.866 -3.334
8 HG11 VAL 2 1HG1 VAL 2 0.400 -9.904 -2.146
9 HG12 VAL 2 2HG1 VAL 2 0.248 -11.611 -1.777
10 HG13 VAL 2 3HG1 VAL 2 -0.279 -10.414 -0.604
11 HG21 VAL 2 3HG2 VAL 2 -1.891 -12.733 -1.791
12 HG22 VAL 2 1HG2 VAL 2 -3.383 -11.869 -2.184
13 HG23 VAL 2 2HG2 VAL 2 -2.589 -11.600 -0.634
14 H CYS 3 H CYS 3 -0.566 -7.759 -1.359
15 HA CYS 3 HA CYS 3 -0.372 -6.232 -3.872
16 HB2 CYS 3 2HB CYS 3 0.251 -4.419 -2.588
17 HB3 CYS 3 1HB CYS 3 -0.826 -5.239 -1.460
18 H ALA 4 H ALA 4 2.075 -5.413 -3.928
19 HA ALA 4 HA ALA 4 3.589 -7.951 -3.628
20 HB1 ALA 4 1HB ALA 4 5.122 -7.286 -5.313
21 HB2 ALA 4 2HB ALA 4 4.365 -5.681 -5.358
22 HB3 ALA 4 3HB ALA 4 3.453 -7.098 -5.904
23 H ALA 5 H ALA 5 3.570 -6.599 -1.333
24 HA ALA 5 HA ALA 5 6.395 -6.069 -1.023
25 HB1 ALA 5 1HB ALA 5 4.743 -4.762 0.257
26 HB2 ALA 5 2HB ALA 5 5.912 -5.546 1.304
27 HB3 ALA 5 3HB ALA 5 4.291 -6.203 1.160
28 H GLN 6 H GLN 6 7.911 -7.270 -0.018
29 HA GLN 6 HA GLN 6 8.234 -9.915 -0.269
30 HB2 GLN 6 2HB GLN 6 9.967 -8.302 0.392
31 HB3 GLN 6 1HB GLN 6 9.294 -8.262 2.000
32 HG2 GLN 6 2HG GLN 6 9.829 -10.656 2.286
33 HG3 GLN 6 1HG GLN 6 10.546 -10.666 0.687
34 HE21 GLN 6 1HE2 GLN 6 10.930 -9.614 3.977
35 HE22 GLN 6 2HE2 GLN 6 12.566 -9.125 3.814
36 H ASN 7 H ASN 7 7.221 -8.511 2.809
37 HA ASN 7 HA ASN 7 6.124 -11.175 3.499
38 HB2 ASN 7 2HB ASN 7 8.151 -10.503 4.871
39 HB3 ASN 7 1HB ASN 7 7.166 -9.227 5.581
40 HD21 ASN 7 1HD2 ASN 7 8.482 -11.444 6.839
41 HD22 ASN 7 2HD2 ASN 7 7.260 -12.343 7.690
42 H CYS 8 H CYS 8 4.343 -10.224 2.333
43 HA CYS 8 HA CYS 8 2.832 -8.393 3.935
44 HB2 CYS 8 2HB CYS 8 3.050 -7.668 1.660
45 HB3 CYS 8 1HB CYS 8 2.494 -9.228 1.062
46 H GLN 9 H GLN 9 0.904 -8.658 4.223
47 HA GLN 9 HA GLN 9 -0.371 -11.364 4.426
48 HB2 GLN 9 2HB GLN 9 -0.978 -9.027 6.229
49 HB3 GLN 9 1HB GLN 9 -1.825 -10.561 6.265
50 HG2 GLN 9 2HG GLN 9 0.332 -11.659 6.806
51 HG3 GLN 9 1HG GLN 9 1.041 -10.043 6.959
52 HE21 GLN 9 1HE2 GLN 9 -1.194 -12.303 8.253
53 HE22 GLN 9 2HE2 GLN 9 -1.413 -11.540 9.793
54 H ARG 10 H ARG 10 -2.587 -11.629 3.817
55 HA ARG 10 HA ARG 10 -3.581 -9.534 2.089
56 HB2 ARG 10 2HB ARG 10 -3.264 -11.862 1.176
57 HB3 ARG 10 1HB ARG 10 -4.366 -12.440 2.409
58 HG2 ARG 10 2HG ARG 10 -6.180 -11.157 1.463
59 HG3 ARG 10 1HG ARG 10 -5.117 -10.495 0.227
60 HD2 ARG 10 2HD ARG 10 -4.724 -12.785 -0.615
61 HD3 ARG 10 1HD ARG 10 -5.872 -13.410 0.576
62 HE ARG 10 HE ARG 10 -7.283 -11.519 -0.752
63 HH11 ARG 10 1HH1 ARG 10 -5.473 -14.379 -1.826
64 HH12 ARG 10 2HH1 ARG 10 -6.427 -14.675 -3.184
65 HH21 ARG 10 1HH2 ARG 10 -8.632 -11.940 -2.730
66 HH22 ARG 10 2HH2 ARG 10 -8.231 -13.275 -3.692
67 HA PRO 11 HA PRO 11 -5.985 -9.053 5.905
68 HB2 PRO 11 2HB PRO 11 -6.891 -6.547 5.402
69 HB3 PRO 11 1HB PRO 11 -5.251 -6.887 5.991
70 HG2 PRO 11 2HG PRO 11 -6.185 -6.298 3.213
71 HG3 PRO 11 1HG PRO 11 -4.741 -5.703 4.035
72 HD2 PRO 11 2HD PRO 11 -4.620 -7.780 2.243
73 HD3 PRO 11 1HD PRO 11 -3.553 -7.636 3.636
74 H CYS 12 H CYS 12 -7.347 -7.881 2.837
75 HA CYS 12 HA CYS 12 -9.394 -7.921 1.919
76 HB2 CYS 12 2HB CYS 12 -9.620 -10.538 3.441
77 HB3 CYS 12 1HB CYS 12 -10.721 -10.022 2.169
78 HG CYS 12 HG CYS 12 -8.926 -12.009 1.352
79 H LYS 13 H LYS 13 -9.079 -6.716 4.563
80 HA LYS 13 HA LYS 13 -11.694 -6.935 5.778
81 HB2 LYS 13 2HB LYS 13 -9.325 -5.147 6.451
82 HB3 LYS 13 1HB LYS 13 -10.820 -5.270 7.377
83 HG2 LYS 13 2HG LYS 13 -10.386 -7.572 7.853
84 HG3 LYS 13 1HG LYS 13 -8.916 -7.508 6.891
85 HD2 LYS 13 2HD LYS 13 -7.912 -5.942 8.386
86 HD3 LYS 13 1HD LYS 13 -9.423 -5.752 9.282
87 HE2 LYS 13 2HE LYS 13 -9.377 -7.988 9.920
88 HE3 LYS 13 1HE LYS 13 -7.899 -8.342 9.027
89 HZ1 LYS 13 3HZ LYS 13 -6.739 -6.746 10.496
90 HZ2 LYS 13 1HZ LYS 13 -7.427 -8.010 11.376
91 HZ3 LYS 13 2HZ LYS 13 -8.171 -6.508 11.367
92 H ASP 14 H ASP 14 -12.544 -4.502 6.392
93 HA ASP 14 HA ASP 14 -13.453 -3.689 3.855
94 HB2 ASP 14 2HB ASP 14 -14.053 -2.621 6.618
95 HB3 ASP 14 1HB ASP 14 -14.759 -1.954 5.148
96 H LYS 15 H LYS 15 -12.045 -1.438 6.385
97 HA LYS 15 HA LYS 15 -11.123 0.192 4.255
98 HB2 LYS 15 2HB LYS 15 -10.602 0.318 7.224
99 HB3 LYS 15 1HB LYS 15 -10.281 1.577 6.056
100 HG2 LYS 15 2HG LYS 15 -13.052 0.592 6.820
101 HG3 LYS 15 1HG LYS 15 -12.266 1.999 7.522
102 HD2 LYS 15 2HD LYS 15 -13.773 2.843 5.907
103 HD3 LYS 15 1HD LYS 15 -12.207 2.923 5.120
104 HE2 LYS 15 2HE LYS 15 -12.802 0.804 3.896
105 HE3 LYS 15 1HE LYS 15 -14.351 0.839 4.701
106 HZ1 LYS 15 3HZ LYS 15 -13.326 2.956 2.897
107 HZ2 LYS 15 1HZ LYS 15 -14.830 2.954 3.641
108 HZ3 LYS 15 2HZ LYS 15 -14.480 1.798 2.482
109 H VAL 16 H VAL 16 -9.731 -1.213 3.152
110 HA VAL 16 HA VAL 16 -7.202 -1.405 4.556
111 HB VAL 16 HB VAL 16 -6.456 -3.192 3.057
112 HG11 VAL 16 1HG1 VAL 16 -9.110 -3.799 4.343
113 HG12 VAL 16 2HG1 VAL 16 -7.528 -3.842 5.115
114 HG13 VAL 16 3HG1 VAL 16 -7.918 -5.005 3.849
115 HG21 VAL 16 3HG2 VAL 16 -9.190 -2.958 1.813
116 HG22 VAL 16 1HG2 VAL 16 -8.079 -4.323 1.508
117 HG23 VAL 16 2HG2 VAL 16 -7.607 -2.674 1.092
118 H ASP 17 H ASP 17 -5.512 -0.497 3.747
119 HA ASP 17 HA ASP 17 -6.032 1.375 1.556
120 HB2 ASP 17 2HB ASP 17 -4.233 1.723 3.942
121 HB3 ASP 17 1HB ASP 17 -4.486 2.937 2.687
122 H TRP 18 H TRP 18 -4.424 1.922 0.197
123 HA TRP 18 HA TRP 18 -2.174 -0.010 -0.075
124 HB2 TRP 18 2HB TRP 18 -3.837 1.137 -2.278
125 HB3 TRP 18 1HB TRP 18 -2.559 -0.011 -2.527
126 HD1 TRP 18 HD TRP 18 -5.942 0.141 -0.666
127 HE1 TRP 18 1HE TRP 18 -7.114 -2.171 -0.919
128 HE3 TRP 18 3HE TRP 18 -2.402 -2.243 -3.333
129 HZ2 TRP 18 2HZ TRP 18 -6.601 -4.589 -2.128
130 HZ3 TRP 18 3HZ TRP 18 -2.793 -4.570 -4.066
131 HH2 TRP 18 HH TRP 18 -4.839 -5.707 -3.505
132 H VAL 19 H VAL 19 -0.305 0.830 -1.473
133 HA VAL 19 HA VAL 19 -0.135 3.723 -1.773
134 HB VAL 19 HB VAL 19 2.197 2.162 -1.078
135 HG11 VAL 19 1HG1 VAL 19 2.964 4.126 0.135
136 HG12 VAL 19 2HG1 VAL 19 1.463 4.922 -0.355
137 HG13 VAL 19 3HG1 VAL 19 2.600 4.383 -1.580
138 HG21 VAL 19 3HG2 VAL 19 0.988 1.197 0.659
139 HG22 VAL 19 1HG2 VAL 19 0.264 2.750 1.155
140 HG23 VAL 19 2HG2 VAL 19 1.997 2.442 1.369
141 H GLN 20 H GLN 20 0.883 4.020 -3.687
142 HA GLN 20 HA GLN 20 2.183 1.668 -4.960
143 HB2 GLN 20 2HB GLN 20 0.446 3.551 -6.072
144 HB3 GLN 20 1HB GLN 20 2.019 4.010 -6.667
145 HG2 GLN 20 2HG GLN 20 2.430 1.726 -7.491
146 HG3 GLN 20 1HG GLN 20 0.828 1.260 -6.932
147 HE21 GLN 20 1HE2 GLN 20 1.878 1.092 -9.562
148 HE22 GLN 20 2HE2 GLN 20 0.837 2.025 -10.559
149 H CYS 21 H CYS 21 4.441 1.618 -5.377
150 HA CYS 21 HA CYS 21 6.133 3.485 -4.175
151 HB2 CYS 21 2HB CYS 21 6.415 0.990 -4.970
152 HB3 CYS 21 1HB CYS 21 6.729 1.755 -6.481
153 H ASP 22 H ASP 22 7.160 5.240 -5.080
154 HA ASP 22 HA ASP 22 6.697 5.831 -7.933
155 HB2 ASP 22 2HB ASP 22 7.454 7.672 -5.653
156 HB3 ASP 22 1HB ASP 22 7.345 8.173 -7.332
157 H GLY 23 H GLY 23 8.777 4.065 -6.567
158 HA2 GLY 23 2HA GLY 23 11.211 5.582 -7.297
159 HA3 GLY 23 1HA GLY 23 11.162 4.367 -6.037
160 H GLY 24 H GLY 24 9.429 3.483 -8.735
161 HA2 GLY 24 2HA GLY 24 10.842 2.745 -10.805
162 HA3 GLY 24 1HA GLY 24 11.731 1.823 -9.617
163 H CYS 25 H CYS 25 9.838 0.565 -8.199
164 HA CYS 25 HA CYS 25 9.149 -1.464 -10.096
165 HB2 CYS 25 2HB CYS 25 8.325 -2.832 -8.264
166 HB3 CYS 25 1HB CYS 25 9.816 -2.053 -7.784
167 H ASP 26 H ASP 26 7.376 1.292 -9.280
168 HA ASP 26 HA ASP 26 5.136 1.871 -9.136
169 HB2 ASP 26 2HB ASP 26 5.436 0.477 -11.795
170 HB3 ASP 26 1HB ASP 26 3.928 1.238 -11.320
171 H GLU 27 H GLU 27 5.456 -0.590 -7.657
172 HA GLU 27 HA GLU 27 2.926 -1.784 -8.373
173 HB2 GLU 27 2HB GLU 27 5.254 -3.021 -6.956
174 HB3 GLU 27 1HB GLU 27 3.642 -3.731 -6.920
175 HG2 GLU 27 2HG GLU 27 3.626 -3.833 -9.365
176 HG3 GLU 27 1HG GLU 27 5.240 -3.141 -9.412
177 H TRP 28 H TRP 28 1.566 -2.592 -6.681
178 HA TRP 28 HA TRP 28 1.224 -0.438 -4.763
179 HB2 TRP 28 2HB TRP 28 -0.632 -2.678 -5.566
180 HB3 TRP 28 1HB TRP 28 -0.953 -1.484 -4.331
181 HD1 TRP 28 HD TRP 28 -1.000 -1.919 -8.115
182 HE1 TRP 28 1HE TRP 28 -2.073 0.116 -9.154
183 HE3 TRP 28 3HE TRP 28 -1.217 1.078 -3.978
184 HZ2 TRP 28 2HZ TRP 28 -2.922 2.670 -8.374
185 HZ3 TRP 28 3HZ TRP 28 -2.191 3.317 -4.222
186 HH2 TRP 28 HH TRP 28 -3.031 4.087 -6.396
187 H PHE 29 H PHE 29 1.358 -0.636 -2.741
188 HA PHE 29 HA PHE 29 1.500 -3.270 -1.478
189 HB2 PHE 29 2HB PHE 29 2.778 -1.398 0.163
190 HB3 PHE 29 1HB PHE 29 3.475 -2.826 -0.499
191 HD1 PHE 29 2HD PHE 29 4.743 -2.586 -2.750
192 HD2 PHE 29 1HD PHE 29 3.303 0.735 -0.514
193 HE1 PHE 29 2HE PHE 29 6.310 -1.149 -3.847
194 HE2 PHE 29 1HE PHE 29 4.882 2.154 -1.638
195 HZ PHE 29 HZ PHE 29 6.377 1.265 -3.255
196 H HIS 30 H HIS 30 1.199 -3.005 0.934
197 HA HIS 30 HA HIS 30 -1.128 -1.202 1.378
198 HB2 HIS 30 2HB HIS 30 -0.213 -3.547 3.074
199 HB3 HIS 30 1HB HIS 30 -1.612 -2.551 3.391
200 HD2 HIS 30 2HD HIS 30 -3.895 -3.247 1.901
201 HE1 HIS 30 1HE HIS 30 -2.222 -6.935 0.580
202 HE2 HIS 30 2HE HIS 30 -4.234 -5.394 0.480
203 H GLN 31 H GLN 31 -0.962 0.347 2.986
204 HA GLN 31 HA GLN 31 1.349 1.584 3.616
205 HB2 GLN 31 2HB GLN 31 -1.100 1.365 5.366
206 HB3 GLN 31 1HB GLN 31 0.122 2.652 5.354
207 HG2 GLN 31 2HG GLN 31 -0.993 2.048 2.842
208 HG3 GLN 31 1HG GLN 31 -2.248 2.738 3.936
209 HE21 GLN 31 1HE2 GLN 31 -1.416 3.905 1.485
210 HE22 GLN 31 2HE2 GLN 31 -0.512 5.324 1.857
211 H VAL 32 H VAL 32 -0.339 -0.855 5.675
212 HA VAL 32 HA VAL 32 1.550 -0.702 7.760
213 HB VAL 32 HB VAL 32 0.331 -2.591 8.769
214 HG11 VAL 32 1HG1 VAL 32 -1.858 -1.525 8.954
215 HG12 VAL 32 2HG1 VAL 32 -1.472 -0.512 7.570
216 HG13 VAL 32 3HG1 VAL 32 -0.548 -0.353 9.074
217 HG21 VAL 32 3HG2 VAL 32 -1.236 -2.623 6.187
218 HG22 VAL 32 1HG2 VAL 32 -1.598 -3.586 7.626
219 HG23 VAL 32 2HG2 VAL 32 -0.106 -3.875 6.728
220 H CYS 33 H CYS 33 1.442 -2.736 4.845
221 HA CYS 33 HA CYS 33 3.080 -4.767 6.120
222 HB2 CYS 33 2HB CYS 33 2.839 -6.011 3.944
223 HB3 CYS 33 1HB CYS 33 1.259 -5.489 4.519
224 H VAL 34 H VAL 34 3.565 -1.873 4.162
225 HA VAL 34 HA VAL 34 6.191 -2.803 3.569
226 HB VAL 34 HB VAL 34 4.588 -2.243 1.730
227 HG11 VAL 34 1HG1 VAL 34 4.262 0.079 1.121
228 HG12 VAL 34 2HG1 VAL 34 4.962 0.554 2.645
229 HG13 VAL 34 3HG1 VAL 34 3.405 -0.290 2.625
230 HG21 VAL 34 3HG2 VAL 34 6.231 -1.007 0.447
231 HG22 VAL 34 1HG2 VAL 34 6.823 -2.391 1.412
232 HG23 VAL 34 2HG2 VAL 34 7.064 -0.723 2.023
233 H GLY 35 H GLY 35 4.957 -1.466 6.057
234 HA2 GLY 35 2HA GLY 35 5.573 0.069 7.664
235 HA3 GLY 35 1HA GLY 35 7.126 0.055 6.867
236 H VAL 36 H VAL 36 3.959 1.345 5.759
237 HA VAL 36 HA VAL 36 5.231 3.976 5.350
238 HB VAL 36 HB VAL 36 2.446 3.024 4.561
239 HG11 VAL 36 1HG1 VAL 36 2.729 5.501 4.844
240 HG12 VAL 36 2HG1 VAL 36 2.183 4.801 3.335
241 HG13 VAL 36 3HG1 VAL 36 3.857 5.385 3.429
242 HG21 VAL 36 3HG2 VAL 36 3.348 3.465 2.300
243 HG22 VAL 36 1HG2 VAL 36 3.741 1.887 3.064
244 HG23 VAL 36 2HG2 VAL 36 4.944 3.203 3.036
245 H SER 37 H SER 37 4.292 5.969 6.542
246 HA SER 37 HA SER 37 2.215 5.260 8.327
247 HB2 SER 37 2HB SER 37 4.264 7.514 8.328
248 HB3 SER 37 1HB SER 37 3.066 7.209 9.583
249 HG SER 37 HG SER 37 4.524 5.002 9.048
250 HA PRO 38 HA PRO 38 -0.628 7.517 5.668
251 HB2 PRO 38 2HB PRO 38 -1.397 9.480 7.610
252 HB3 PRO 38 1HB PRO 38 -2.257 8.005 7.169
253 HG2 PRO 38 2HG PRO 38 -0.373 8.496 9.413
254 HG3 PRO 38 1HG PRO 38 -1.761 7.399 9.343
255 HD2 PRO 38 2HD PRO 38 0.727 6.430 9.252
256 HD3 PRO 38 1HD PRO 38 -0.524 5.768 8.160
257 H GLU 39 H GLU 39 1.360 9.595 7.687
258 HA GLU 39 HA GLU 39 1.199 12.002 6.209
259 HB2 GLU 39 2HB GLU 39 3.468 10.957 7.888
260 HB3 GLU 39 1HB GLU 39 3.302 12.614 7.332
261 HG2 GLU 39 2HG GLU 39 1.258 12.792 8.522
262 HG3 GLU 39 1HG GLU 39 1.401 11.154 9.116
263 H MET 40 H MET 40 3.218 9.279 5.906
264 HA MET 40 HA MET 40 5.225 10.592 4.257
265 HB2 MET 40 2HB MET 40 4.848 7.647 4.785
266 HB3 MET 40 1HB MET 40 6.207 8.378 3.959
267 HG2 MET 40 2HG MET 40 6.857 9.561 5.979
268 HG3 MET 40 1HG MET 40 5.446 8.921 6.818
269 HE1 MET 40 3HE MET 40 8.984 6.316 5.356
270 HE2 MET 40 1HE MET 40 8.901 8.059 5.114
271 HE3 MET 40 2HE MET 40 7.801 6.986 4.240
272 H ALA 41 H ALA 41 2.703 8.061 3.623
273 HA ALA 41 HA ALA 41 3.351 7.929 0.866
274 HB1 ALA 41 1HB ALA 41 2.322 6.026 1.964
275 HB2 ALA 41 2HB ALA 41 1.235 6.688 0.719
276 HB3 ALA 41 3HB ALA 41 1.001 7.118 2.419
277 H GLU 42 H GLU 42 0.849 9.794 2.637
278 HA GLU 42 HA GLU 42 -0.394 10.421 0.132
279 HB2 GLU 42 2HB GLU 42 -0.919 11.321 2.946
280 HB3 GLU 42 1HB GLU 42 -1.892 11.831 1.563
281 HG2 GLU 42 2HG GLU 42 -2.483 9.457 1.200
282 HG3 GLU 42 1HG GLU 42 -1.555 9.046 2.646
283 H ASN 43 H ASN 43 1.857 11.771 2.284
284 HA ASN 43 HA ASN 43 1.607 14.326 0.928
285 HB2 ASN 43 2HB ASN 43 3.038 13.601 3.421
286 HB3 ASN 43 1HB ASN 43 3.339 15.131 2.615
287 HD21 ASN 43 1HD2 ASN 43 2.453 16.377 4.301
288 HD22 ASN 43 2HD2 ASN 43 0.769 16.365 4.662
289 H GLU 44 H GLU 44 3.994 11.809 1.078
290 HA GLU 44 HA GLU 44 5.510 13.415 -0.838
291 HB2 GLU 44 2HB GLU 44 6.704 11.749 1.377
292 HB3 GLU 44 1HB GLU 44 7.613 12.547 0.100
293 HG2 GLU 44 2HG GLU 44 6.802 14.721 0.881
294 HG3 GLU 44 1HG GLU 44 5.918 13.920 2.173
295 H ASP 45 H ASP 45 6.863 12.152 -2.334
296 HA ASP 45 HA ASP 45 5.550 9.935 -3.440
297 HB2 ASP 45 2HB ASP 45 8.457 10.736 -3.723
298 HB3 ASP 45 1HB ASP 45 7.538 9.739 -4.847
299 H TYR 46 H TYR 46 5.797 7.808 -3.035
300 HA TYR 46 HA TYR 46 7.703 7.286 -0.885
301 HB2 TYR 46 2HB TYR 46 5.448 7.124 -0.019
302 HB3 TYR 46 1HB TYR 46 5.065 5.857 -1.192
303 HD1 TYR 46 2HD TYR 46 7.542 6.633 1.499
304 HD2 TYR 46 1HD TYR 46 5.336 3.804 -0.601
305 HE1 TYR 46 2HE TYR 46 8.468 4.891 3.009
306 HE2 TYR 46 1HE TYR 46 6.233 1.957 0.867
307 HH TYR 46 HH TYR 46 7.802 2.534 3.777
308 H ILE 47 H ILE 47 8.753 5.817 -0.771
309 HA ILE 47 HA ILE 47 9.416 4.164 -3.215
310 HB ILE 47 HB ILE 47 11.484 5.099 -1.221
311 HG12 ILE 47 2HG1 ILE 47 10.444 7.101 -2.243
312 HG13 ILE 47 1HG1 ILE 47 12.133 6.905 -2.761
313 HG21 ILE 47 1HG2 ILE 47 12.136 3.200 -2.546
314 HG22 ILE 47 2HG2 ILE 47 13.074 4.616 -3.036
315 HG23 ILE 47 3HG2 ILE 47 11.741 4.049 -4.035
316 HD11 ILE 47 3HD1 ILE 47 9.635 6.264 -4.326
317 HD12 ILE 47 1HD1 ILE 47 11.291 6.041 -4.887
318 HD13 ILE 47 2HD1 ILE 47 10.696 7.663 -4.565
319 H CYS 48 H CYS 48 9.305 2.099 -2.889
320 HA CYS 48 HA CYS 48 9.050 0.996 -0.228
321 HB2 CYS 48 2HB CYS 48 8.709 -1.116 -1.230
322 HB3 CYS 48 1HB CYS 48 7.912 -0.000 -2.325
323 H ILE 49 H ILE 49 10.569 -0.903 0.479
324 HA ILE 49 HA ILE 49 13.105 0.153 0.553
325 HB ILE 49 HB ILE 49 13.694 -1.791 1.869
326 HG12 ILE 49 2HG1 ILE 49 11.826 -2.975 2.671
327 HG13 ILE 49 1HG1 ILE 49 10.870 -2.635 1.237
328 HG21 ILE 49 1HG2 ILE 49 11.128 -0.463 2.294
329 HG22 ILE 49 2HG2 ILE 49 12.706 0.189 2.797
330 HG23 ILE 49 3HG2 ILE 49 11.989 -1.229 3.639
331 HD11 ILE 49 3HD1 ILE 49 11.873 -4.887 1.000
332 HD12 ILE 49 1HD1 ILE 49 13.462 -4.223 1.363
333 HD13 ILE 49 2HD1 ILE 49 12.636 -3.795 -0.141
334 H ASN 50 H ASN 50 11.674 -1.854 -1.475
335 HA ASN 50 HA ASN 50 13.890 -3.393 -2.553
336 HB2 ASN 50 2HB ASN 50 11.263 -2.718 -3.886
337 HB3 ASN 50 1HB ASN 50 12.464 -3.811 -4.552
338 HD21 ASN 50 1HD2 ASN 50 9.657 -4.293 -3.807
339 HD22 ASN 50 2HD2 ASN 50 9.729 -5.578 -2.656
340 H CYS 51 H CYS 51 12.407 -0.340 -3.374
341 HA CYS 51 HA CYS 51 14.265 -0.000 -5.601
342 HB2 CYS 51 2HB CYS 51 11.909 1.718 -4.745
343 HB3 CYS 51 1HB CYS 51 12.822 2.038 -6.194
344 H ALA 52 H ALA 52 14.220 0.546 -2.404
345 HA ALA 52 HA ALA 52 15.639 3.124 -2.430
346 HB1 ALA 52 3HB ALA 52 15.476 3.086 -0.009
347 HB2 ALA 52 1HB ALA 52 14.937 1.401 -0.064
348 HB3 ALA 52 2HB ALA 52 13.916 2.690 -0.717
349 HA ALA 301 HA ALA 301 3.227 8.707 -4.669
350 HB1 ALA 301 2HB ALA 301 4.037 7.792 -2.549
351 HB2 ALA 301 3HB ALA 301 2.785 6.776 -3.259
352 HB3 ALA 301 1HB ALA 301 2.391 7.813 -1.899
353 H ARG 302 H ARG 302 1.614 6.981 -5.105
354 HA ARG 302 HA ARG 302 -1.027 8.216 -5.283
355 HB2 ARG 302 2HB ARG 302 0.109 5.828 -6.778
356 HB3 ARG 302 1HB ARG 302 -1.484 6.545 -7.020
357 HG2 ARG 302 2HG ARG 302 -0.448 8.634 -7.737
358 HG3 ARG 302 1HG ARG 302 1.144 7.954 -7.457
359 HD2 ARG 302 2HD ARG 302 -0.874 6.951 -9.468
360 HD3 ARG 302 1HD ARG 302 0.539 7.934 -9.831
361 HE ARG 302 HE ARG 302 0.558 5.136 -8.909
362 HH11 ARG 302 1HH1 ARG 302 2.324 7.861 -10.366
363 HH12 ARG 302 2HH1 ARG 302 3.611 6.911 -10.925
364 HH21 ARG 302 1HH2 ARG 302 2.336 3.829 -9.728
365 HH22 ARG 302 2HH2 ARG 302 3.621 4.514 -10.563
366 H THR 303 H THR 303 -2.440 7.629 -3.759
367 HA THR 303 HA THR 303 -2.135 5.010 -2.515
368 HB THR 303 HB THR 303 -3.505 6.116 -0.688
369 HG1 THR 303 1HG THR 303 -3.881 8.248 -0.822
370 HG21 THR 303 3HG2 THR 303 -1.535 7.204 0.271
371 HG22 THR 303 1HG2 THR 303 -0.791 7.266 -1.340
372 HG23 THR 303 2HG2 THR 303 -1.094 5.702 -0.597
373 H M3L 304 H M3L 304 -4.251 4.129 -1.660
374 HA M3L 304 HA M3L 304 -6.716 4.935 -2.890
375 HB2 M3L 304 1HB M3L 304 -5.763 3.757 -4.842
376 HB3 M3L 304 2HB M3L 304 -7.061 2.776 -4.104
377 HG2 M3L 304 1HG M3L 304 -5.577 1.417 -3.024
378 HG3 M3L 304 2HG M3L 304 -4.212 2.415 -3.561
379 HD2 M3L 304 1HD M3L 304 -4.179 0.545 -4.928
380 HD3 M3L 304 2HD M3L 304 -4.787 1.909 -5.842
381 HE2 M3L 304 1HE M3L 304 -7.065 1.079 -5.681
382 HE3 M3L 304 2HE M3L 304 -6.466 -0.224 -4.641
383 HM11 M3L 304 1HM1 M3L 304 -4.944 -2.039 -5.616
384 HM12 M3L 304 2HM1 M3L 304 -3.873 -0.817 -6.249
385 HM13 M3L 304 3HM1 M3L 304 -4.525 -1.974 -7.298
386 HM21 M3L 304 1HM2 M3L 304 -5.204 -0.087 -8.710
387 HM22 M3L 304 2HM2 M3L 304 -4.938 1.240 -7.657
388 HM23 M3L 304 3HM2 M3L 304 -6.527 0.932 -8.271
389 HM31 M3L 304 3HM3 M3L 304 -7.404 -1.894 -6.190
390 HM32 M3L 304 1HM3 M3L 304 -6.857 -1.989 -7.828
391 HM33 M3L 304 2HM3 M3L 304 -7.938 -0.729 -7.366
392 H GLN 305 H GLN 305 -8.378 3.177 -2.444
393 HA GLN 305 HA GLN 305 -7.791 1.402 -0.246
394 HB2 GLN 305 2HB GLN 305 -8.464 3.655 0.741
395 HB3 GLN 305 1HB GLN 305 -10.008 3.472 -0.073
396 HG2 GLN 305 2HG GLN 305 -10.443 1.435 1.214
397 HG3 GLN 305 1HG GLN 305 -8.895 1.629 2.033
398 HE21 GLN 305 1HE2 GLN 305 -8.612 3.370 3.471
399 HE22 GLN 305 2HE2 GLN 305 -9.970 4.141 4.184
400 H THR 306 H THR 306 -8.683 -0.451 -0.934
401 HA THR 306 HA THR 306 -10.427 -0.381 -3.211
402 HB THR 306 HB THR 306 -10.207 -2.893 -3.107
403 HG1 THR 306 1HG THR 306 -9.607 -3.508 -1.191
404 HG21 THR 306 3HG2 THR 306 -7.614 -1.313 -3.142
405 HG22 THR 306 1HG2 THR 306 -8.722 -1.454 -4.505
406 HG23 THR 306 2HG2 THR 306 -7.863 -2.867 -3.895
407 H ALA 307 H ALA 307 -10.746 -1.247 0.154
408 HA ALA 307 HA ALA 307 -12.490 -1.675 1.508
409 HB1 ALA 307 1HB ALA 307 -14.231 -0.554 -0.699
410 HB2 ALA 307 2HB ALA 307 -13.417 0.385 0.553
411 HB3 ALA 307 3HB ALA 307 -14.698 -0.750 0.992
412 H ARG 308 H ARG 308 -14.742 -2.891 1.623
413 HA ARG 308 HA ARG 308 -14.766 -5.096 -0.278
414 HB2 ARG 308 2HB ARG 308 -14.621 -5.448 2.718
415 HB3 ARG 308 1HB ARG 308 -15.141 -6.720 1.627
416 HG2 ARG 308 2HG ARG 308 -12.449 -5.380 1.565
417 HG3 ARG 308 1HG ARG 308 -12.784 -6.925 2.344
418 HD2 ARG 308 2HD ARG 308 -13.096 -6.315 -0.600
419 HD3 ARG 308 1HD ARG 308 -11.809 -7.267 0.133
420 HE ARG 308 HE ARG 308 -14.137 -8.466 0.925
421 HH11 ARG 308 1HH1 ARG 308 -12.537 -7.813 -2.178
422 HH12 ARG 308 2HH1 ARG 308 -13.280 -9.085 -2.991
423 HH21 ARG 308 1HH2 ARG 308 -15.161 -10.268 -0.225
424 HH22 ARG 308 2HH2 ARG 308 -14.810 -10.529 -1.857
425 H LYS 309 H LYS 309 -16.535 -4.542 2.794
426 HA LYS 309 HA LYS 309 -18.981 -5.145 1.322
427 HB2 LYS 309 2HB LYS 309 -18.510 -4.777 4.283
428 HB3 LYS 309 1HB LYS 309 -20.030 -5.289 3.557
429 HG2 LYS 309 2HG LYS 309 -19.015 -7.327 2.764
430 HG3 LYS 309 1HG LYS 309 -17.434 -6.815 3.372
431 HD2 LYS 309 2HD LYS 309 -18.362 -6.788 5.650
432 HD3 LYS 309 1HD LYS 309 -19.906 -7.357 5.021
433 HE2 LYS 309 2HE LYS 309 -18.834 -9.426 4.222
434 HE3 LYS 309 1HE LYS 309 -17.281 -8.829 4.783
435 HZ1 LYS 309 3HZ LYS 309 -19.600 -9.411 6.556
436 HZ2 LYS 309 1HZ LYS 309 -18.084 -8.879 7.033
437 HZ3 LYS 309 2HZ LYS 309 -18.282 -10.410 6.337
Start of MODEL 10
1 HA SER 1 HA SER 1 -7.133 -6.956 -1.217
2 HB2 SER 1 2HB SER 1 -7.276 -9.873 -2.055
3 HB3 SER 1 1HB SER 1 -7.484 -9.287 -0.402
4 HG SER 1 HG SER 1 -9.332 -9.540 -2.266
5 H VAL 2 H VAL 2 -4.897 -8.763 -3.197
6 HA VAL 2 HA VAL 2 -2.896 -8.574 -1.059
7 HB VAL 2 HB VAL 2 -2.751 -10.345 -3.523
8 HG11 VAL 2 1HG1 VAL 2 -0.567 -9.793 -2.634
9 HG12 VAL 2 2HG1 VAL 2 -0.921 -11.496 -2.320
10 HG13 VAL 2 3HG1 VAL 2 -1.062 -10.303 -1.023
11 HG21 VAL 2 3HG2 VAL 2 -3.511 -11.121 -0.713
12 HG22 VAL 2 1HG2 VAL 2 -3.222 -12.254 -2.033
13 HG23 VAL 2 2HG2 VAL 2 -4.583 -11.126 -2.115
14 H CYS 3 H CYS 3 -0.940 -7.642 -1.569
15 HA CYS 3 HA CYS 3 -0.936 -5.972 -4.005
16 HB2 CYS 3 2HB CYS 3 -0.120 -4.244 -2.725
17 HB3 CYS 3 1HB CYS 3 -1.148 -5.045 -1.545
18 H ALA 4 H ALA 4 1.473 -5.312 -4.232
19 HA ALA 4 HA ALA 4 2.983 -7.899 -4.055
20 HB1 ALA 4 1HB ALA 4 3.649 -5.582 -5.726
21 HB2 ALA 4 2HB ALA 4 2.720 -6.993 -6.309
22 HB3 ALA 4 3HB ALA 4 4.439 -7.157 -5.806
23 H ALA 5 H ALA 5 3.115 -6.453 -1.697
24 HA ALA 5 HA ALA 5 5.887 -5.869 -1.644
25 HB1 ALA 5 1HB ALA 5 4.329 -4.665 -0.178
26 HB2 ALA 5 2HB ALA 5 5.587 -5.453 0.730
27 HB3 ALA 5 3HB ALA 5 3.969 -6.160 0.698
28 H GLN 6 H GLN 6 7.517 -7.192 -0.676
29 HA GLN 6 HA GLN 6 7.371 -9.985 -0.784
30 HB2 GLN 6 2HB GLN 6 9.288 -8.323 0.844
31 HB3 GLN 6 1HB GLN 6 9.427 -10.057 0.585
32 HG2 GLN 6 2HG GLN 6 9.699 -9.692 -1.784
33 HG3 GLN 6 1HG GLN 6 9.500 -7.950 -1.560
34 HE21 GLN 6 1HE2 GLN 6 11.748 -9.439 -2.643
35 HE22 GLN 6 2HE2 GLN 6 13.107 -9.031 -1.648
36 H ASN 7 H ASN 7 7.016 -8.030 2.191
37 HA ASN 7 HA ASN 7 6.257 -10.548 3.488
38 HB2 ASN 7 2HB ASN 7 8.150 -9.179 4.420
39 HB3 ASN 7 1HB ASN 7 6.993 -7.911 4.786
40 HD21 ASN 7 1HD2 ASN 7 8.636 -9.278 6.691
41 HD22 ASN 7 2HD2 ASN 7 7.588 -10.099 7.789
42 H CYS 8 H CYS 8 4.184 -10.131 2.136
43 HA CYS 8 HA CYS 8 2.678 -8.077 3.407
44 HB2 CYS 8 2HB CYS 8 2.723 -7.902 0.929
45 HB3 CYS 8 1HB CYS 8 2.059 -9.518 0.852
46 H GLN 9 H GLN 9 1.046 -8.360 4.274
47 HA GLN 9 HA GLN 9 -0.222 -11.013 4.616
48 HB2 GLN 9 2HB GLN 9 -0.334 -8.729 6.612
49 HB3 GLN 9 1HB GLN 9 -1.261 -10.219 6.775
50 HG2 GLN 9 2HG GLN 9 0.848 -11.482 6.877
51 HG3 GLN 9 1HG GLN 9 1.738 -9.965 6.758
52 HE21 GLN 9 1HE2 GLN 9 1.758 -8.595 8.511
53 HE22 GLN 9 2HE2 GLN 9 1.313 -9.059 10.107
54 H ARG 10 H ARG 10 -2.509 -11.198 4.335
55 HA ARG 10 HA ARG 10 -3.615 -9.244 2.556
56 HB2 ARG 10 2HB ARG 10 -4.758 -11.860 3.512
57 HB3 ARG 10 1HB ARG 10 -5.134 -10.988 2.045
58 HG2 ARG 10 2HG ARG 10 -2.936 -11.565 1.134
59 HG3 ARG 10 1HG ARG 10 -2.539 -12.395 2.631
60 HD2 ARG 10 2HD ARG 10 -4.537 -13.869 2.281
61 HD3 ARG 10 1HD ARG 10 -4.735 -13.124 0.700
62 HE ARG 10 HE ARG 10 -2.112 -14.113 1.013
63 HH11 ARG 10 1HH1 ARG 10 -5.433 -15.168 0.378
64 HH12 ARG 10 2HH1 ARG 10 -5.028 -16.643 -0.325
65 HH21 ARG 10 1HH2 ARG 10 -1.478 -16.187 0.056
66 HH22 ARG 10 2HH2 ARG 10 -2.663 -17.261 -0.487
67 HA PRO 11 HA PRO 11 -5.888 -8.075 6.297
68 HB2 PRO 11 2HB PRO 11 -6.951 -5.765 5.274
69 HB3 PRO 11 1HB PRO 11 -5.355 -5.857 6.019
70 HG2 PRO 11 2HG PRO 11 -6.089 -5.704 3.143
71 HG3 PRO 11 1HG PRO 11 -4.637 -5.125 3.963
72 HD2 PRO 11 2HD PRO 11 -4.812 -7.440 2.430
73 HD3 PRO 11 1HD PRO 11 -3.548 -7.082 3.601
74 H CYS 12 H CYS 12 -7.317 -7.366 3.108
75 HA CYS 12 HA CYS 12 -9.255 -7.767 2.113
76 HB2 CYS 12 2HB CYS 12 -9.245 -10.271 3.824
77 HB3 CYS 12 1HB CYS 12 -10.237 -10.017 2.394
78 HG CYS 12 HG CYS 12 -8.500 -11.429 1.136
79 H LYS 13 H LYS 13 -9.209 -6.539 4.839
80 HA LYS 13 HA LYS 13 -11.819 -6.881 5.946
81 HB2 LYS 13 2HB LYS 13 -9.833 -6.116 7.214
82 HB3 LYS 13 1HB LYS 13 -9.789 -4.637 6.273
83 HG2 LYS 13 2HG LYS 13 -11.932 -3.939 7.265
84 HG3 LYS 13 1HG LYS 13 -12.009 -5.450 8.181
85 HD2 LYS 13 2HD LYS 13 -9.856 -3.339 8.432
86 HD3 LYS 13 1HD LYS 13 -11.220 -3.558 9.538
87 HE2 LYS 13 2HE LYS 13 -9.018 -5.585 8.997
88 HE3 LYS 13 1HE LYS 13 -9.141 -4.553 10.427
89 HZ1 LYS 13 3HZ LYS 13 -11.073 -6.693 9.637
90 HZ2 LYS 13 1HZ LYS 13 -11.227 -5.656 10.964
91 HZ3 LYS 13 2HZ LYS 13 -9.966 -6.768 10.887
92 H ASP 14 H ASP 14 -13.261 -4.712 6.069
93 HA ASP 14 HA ASP 14 -14.419 -4.234 3.649
94 HB2 ASP 14 2HB ASP 14 -14.319 -2.470 6.102
95 HB3 ASP 14 1HB ASP 14 -15.363 -2.144 4.728
96 H LYS 15 H LYS 15 -12.466 -1.761 5.290
97 HA LYS 15 HA LYS 15 -11.589 -0.999 2.632
98 HB2 LYS 15 2HB LYS 15 -12.180 0.783 4.970
99 HB3 LYS 15 1HB LYS 15 -11.079 1.314 3.729
100 HG2 LYS 15 2HG LYS 15 -13.202 2.237 3.205
101 HG3 LYS 15 1HG LYS 15 -12.897 0.954 2.051
102 HD2 LYS 15 2HD LYS 15 -15.203 0.831 2.713
103 HD3 LYS 15 1HD LYS 15 -14.360 -0.526 3.447
104 HE2 LYS 15 2HE LYS 15 -14.224 0.603 5.540
105 HE3 LYS 15 1HE LYS 15 -14.889 2.076 4.834
106 HZ1 LYS 15 3HZ LYS 15 -16.961 0.912 4.450
107 HZ2 LYS 15 1HZ LYS 15 -16.608 0.886 6.079
108 HZ3 LYS 15 2HZ LYS 15 -16.391 -0.499 5.150
109 H VAL 16 H VAL 16 -9.587 -1.109 2.171
110 HA VAL 16 HA VAL 16 -7.646 -1.233 4.339
111 HB VAL 16 HB VAL 16 -6.422 -3.063 3.233
112 HG11 VAL 16 1HG1 VAL 16 -8.031 -3.680 4.918
113 HG12 VAL 16 2HG1 VAL 16 -8.023 -4.888 3.626
114 HG13 VAL 16 3HG1 VAL 16 -9.314 -3.698 3.714
115 HG21 VAL 16 3HG2 VAL 16 -7.004 -2.717 0.909
116 HG22 VAL 16 1HG2 VAL 16 -8.703 -3.078 1.233
117 HG23 VAL 16 2HG2 VAL 16 -7.521 -4.348 1.384
118 H ASP 17 H ASP 17 -5.582 -0.407 3.832
119 HA ASP 17 HA ASP 17 -5.789 1.583 1.713
120 HB2 ASP 17 2HB ASP 17 -3.873 1.488 4.040
121 HB3 ASP 17 1HB ASP 17 -4.007 2.813 2.901
122 H TRP 18 H TRP 18 -4.302 1.952 0.282
123 HA TRP 18 HA TRP 18 -2.145 -0.067 -0.156
124 HB2 TRP 18 2HB TRP 18 -3.732 1.329 -2.273
125 HB3 TRP 18 1HB TRP 18 -2.525 0.097 -2.530
126 HD1 TRP 18 HD TRP 18 -5.844 0.170 -0.472
127 HE1 TRP 18 1HE TRP 18 -7.158 -1.979 -1.021
128 HE3 TRP 18 3HE TRP 18 -2.712 -1.818 -3.854
129 HZ2 TRP 18 2HZ TRP 18 -6.918 -4.179 -2.702
130 HZ3 TRP 18 3HZ TRP 18 -3.297 -3.936 -4.973
131 HH2 TRP 18 HH TRP 18 -5.335 -5.078 -4.451
132 H VAL 19 H VAL 19 -0.248 0.787 -1.638
133 HA VAL 19 HA VAL 19 -0.003 3.672 -1.759
134 HB VAL 19 HB VAL 19 2.344 2.062 -1.219
135 HG11 VAL 19 1HG1 VAL 19 2.718 4.277 -1.593
136 HG12 VAL 19 2HG1 VAL 19 3.135 3.963 0.088
137 HG13 VAL 19 3HG1 VAL 19 1.626 4.777 -0.306
138 HG21 VAL 19 3HG2 VAL 19 1.283 0.972 0.490
139 HG22 VAL 19 1HG2 VAL 19 0.405 2.446 1.024
140 HG23 VAL 19 2HG2 VAL 19 2.142 2.306 1.275
141 H GLN 20 H GLN 20 1.119 4.116 -3.536
142 HA GLN 20 HA GLN 20 2.099 1.940 -5.324
143 HB2 GLN 20 2HB GLN 20 0.680 4.286 -5.787
144 HB3 GLN 20 1HB GLN 20 2.282 4.640 -6.375
145 HG2 GLN 20 2HG GLN 20 0.433 2.451 -7.363
146 HG3 GLN 20 1HG GLN 20 0.970 3.903 -8.167
147 HE21 GLN 20 1HE2 GLN 20 1.116 1.159 -9.061
148 HE22 GLN 20 2HE2 GLN 20 2.781 0.870 -9.347
149 H CYS 21 H CYS 21 4.350 1.792 -5.789
150 HA CYS 21 HA CYS 21 6.188 3.524 -4.339
151 HB2 CYS 21 2HB CYS 21 6.510 1.042 -4.811
152 HB3 CYS 21 1HB CYS 21 6.773 1.485 -6.488
153 H ASP 22 H ASP 22 6.837 5.423 -5.182
154 HA ASP 22 HA ASP 22 6.191 6.120 -7.970
155 HB2 ASP 22 2HB ASP 22 7.385 7.797 -5.755
156 HB3 ASP 22 1HB ASP 22 6.914 8.401 -7.328
157 H GLY 23 H GLY 23 8.318 4.239 -7.256
158 HA2 GLY 23 2HA GLY 23 10.691 5.758 -8.137
159 HA3 GLY 23 1HA GLY 23 10.669 4.505 -6.871
160 H GLY 24 H GLY 24 10.901 2.762 -7.367
161 HA2 GLY 24 2HA GLY 24 11.982 1.940 -10.013
162 HA3 GLY 24 1HA GLY 24 12.253 1.005 -8.572
163 H CYS 25 H CYS 25 10.168 0.021 -7.752
164 HA CYS 25 HA CYS 25 9.497 -1.909 -9.747
165 HB2 CYS 25 2HB CYS 25 8.343 -3.130 -8.015
166 HB3 CYS 25 1HB CYS 25 9.886 -2.534 -7.421
167 H ASP 26 H ASP 26 7.873 1.021 -9.001
168 HA ASP 26 HA ASP 26 5.662 1.642 -8.786
169 HB2 ASP 26 2HB ASP 26 5.840 0.639 -11.631
170 HB3 ASP 26 1HB ASP 26 4.614 1.666 -10.996
171 H GLU 27 H GLU 27 5.457 -0.625 -7.472
172 HA GLU 27 HA GLU 27 3.023 -1.727 -8.592
173 HB2 GLU 27 2HB GLU 27 5.059 -3.122 -6.855
174 HB3 GLU 27 1HB GLU 27 3.462 -3.761 -7.221
175 HG2 GLU 27 2HG GLU 27 4.043 -3.641 -9.641
176 HG3 GLU 27 1HG GLU 27 5.660 -3.145 -9.187
177 H TRP 28 H TRP 28 1.492 -2.568 -6.876
178 HA TRP 28 HA TRP 28 1.244 -0.401 -4.934
179 HB2 TRP 28 2HB TRP 28 -0.811 -2.424 -5.840
180 HB3 TRP 28 1HB TRP 28 -1.050 -1.229 -4.574
181 HD1 TRP 28 HD TRP 28 -0.765 -1.498 -8.367
182 HE1 TRP 28 1HE TRP 28 -1.668 0.648 -9.397
183 HE3 TRP 28 3HE TRP 28 -1.433 1.232 -4.114
184 HZ2 TRP 28 2HZ TRP 28 -2.576 3.176 -8.546
185 HZ3 TRP 28 3HZ TRP 28 -2.363 3.521 -4.320
186 HH2 TRP 28 HH TRP 28 -2.926 4.443 -6.447
187 H PHE 29 H PHE 29 1.231 -0.648 -2.899
188 HA PHE 29 HA PHE 29 1.231 -3.291 -1.669
189 HB2 PHE 29 2HB PHE 29 2.906 -1.967 -0.032
190 HB3 PHE 29 1HB PHE 29 3.419 -3.092 -1.245
191 HD1 PHE 29 1HD PHE 29 3.207 0.372 -0.253
192 HD2 PHE 29 2HD PHE 29 4.483 -2.238 -3.400
193 HE1 PHE 29 1HE PHE 29 4.582 2.123 -1.206
194 HE2 PHE 29 2HE PHE 29 5.799 -0.559 -4.278
195 HZ PHE 29 HZ PHE 29 5.883 1.688 -3.221
196 H HIS 30 H HIS 30 1.188 -3.068 0.777
197 HA HIS 30 HA HIS 30 -1.048 -1.173 1.374
198 HB2 HIS 30 2HB HIS 30 -0.176 -3.597 2.950
199 HB3 HIS 30 1HB HIS 30 -1.495 -2.534 3.405
200 HD2 HIS 30 2HD HIS 30 -3.906 -3.051 2.002
201 HE1 HIS 30 1HE HIS 30 -2.489 -6.816 0.578
202 HE2 HIS 30 2HE HIS 30 -4.455 -5.203 0.619
203 H GLN 31 H GLN 31 -0.771 0.310 3.007
204 HA GLN 31 HA GLN 31 1.580 1.430 3.627
205 HB2 GLN 31 2HB GLN 31 -0.826 1.229 5.443
206 HB3 GLN 31 1HB GLN 31 0.414 2.482 5.440
207 HG2 GLN 31 2HG GLN 31 -0.881 1.963 2.947
208 HG3 GLN 31 1HG GLN 31 -1.965 2.777 4.128
209 HE21 GLN 31 1HE2 GLN 31 -1.251 3.794 1.607
210 HE22 GLN 31 2HE2 GLN 31 -0.179 5.125 1.860
211 H VAL 32 H VAL 32 -0.154 -1.017 5.649
212 HA VAL 32 HA VAL 32 1.812 -1.014 7.666
213 HB VAL 32 HB VAL 32 0.532 -2.920 8.635
214 HG11 VAL 32 1HG1 VAL 32 -0.111 -0.621 9.094
215 HG12 VAL 32 2HG1 VAL 32 -1.516 -1.696 9.049
216 HG13 VAL 32 3HG1 VAL 32 -1.170 -0.636 7.673
217 HG21 VAL 32 3HG2 VAL 32 -1.195 -2.618 6.179
218 HG22 VAL 32 1HG2 VAL 32 -1.521 -3.665 7.557
219 HG23 VAL 32 2HG2 VAL 32 -0.146 -3.992 6.498
220 H CYS 33 H CYS 33 1.516 -2.930 4.716
221 HA CYS 33 HA CYS 33 3.106 -5.068 5.855
222 HB2 CYS 33 2HB CYS 33 2.743 -6.228 3.679
223 HB3 CYS 33 1HB CYS 33 1.189 -5.659 4.288
224 H VAL 34 H VAL 34 3.642 -2.157 4.003
225 HA VAL 34 HA VAL 34 6.231 -3.129 3.240
226 HB VAL 34 HB VAL 34 4.563 -2.437 1.506
227 HG11 VAL 34 1HG1 VAL 34 4.977 0.192 2.778
228 HG12 VAL 34 2HG1 VAL 34 3.395 -0.571 2.485
229 HG13 VAL 34 3HG1 VAL 34 4.382 0.038 1.156
230 HG21 VAL 34 3HG2 VAL 34 7.052 -0.902 1.770
231 HG22 VAL 34 1HG2 VAL 34 6.138 -1.103 0.245
232 HG23 VAL 34 2HG2 VAL 34 6.820 -2.536 1.077
233 H GLY 35 H GLY 35 5.113 -1.903 5.804
234 HA2 GLY 35 2HA GLY 35 5.769 -0.448 7.473
235 HA3 GLY 35 1HA GLY 35 7.326 -0.483 6.671
236 H VAL 36 H VAL 36 4.214 0.977 5.637
237 HA VAL 36 HA VAL 36 5.573 3.585 5.381
238 HB VAL 36 HB VAL 36 2.734 2.859 4.554
239 HG11 VAL 36 1HG1 VAL 36 3.250 5.293 4.886
240 HG12 VAL 36 2HG1 VAL 36 2.601 4.645 3.408
241 HG13 VAL 36 3HG1 VAL 36 4.314 5.100 3.427
242 HG21 VAL 36 3HG2 VAL 36 3.613 3.212 2.293
243 HG22 VAL 36 1HG2 VAL 36 3.914 1.631 3.065
244 HG23 VAL 36 2HG2 VAL 36 5.211 2.851 2.986
245 H SER 37 H SER 37 4.683 5.521 6.646
246 HA SER 37 HA SER 37 2.667 4.821 8.479
247 HB2 SER 37 2HB SER 37 4.675 7.106 8.297
248 HB3 SER 37 1HB SER 37 3.568 6.838 9.637
249 HG SER 37 HG SER 37 4.671 4.802 9.961
250 HA PRO 38 HA PRO 38 -0.197 6.931 5.696
251 HB2 PRO 38 2HB PRO 38 -0.932 8.552 8.093
252 HB3 PRO 38 1HB PRO 38 -1.992 7.709 6.960
253 HG2 PRO 38 2HG PRO 38 -1.485 6.694 9.365
254 HG3 PRO 38 1HG PRO 38 -1.575 5.629 7.943
255 HD2 PRO 38 2HD PRO 38 0.814 6.566 9.484
256 HD3 PRO 38 1HD PRO 38 0.535 5.016 8.640
257 H GLU 39 H GLU 39 1.556 8.907 7.900
258 HA GLU 39 HA GLU 39 1.312 11.483 6.786
259 HB2 GLU 39 2HB GLU 39 3.687 10.285 8.220
260 HB3 GLU 39 1HB GLU 39 3.314 11.996 8.039
261 HG2 GLU 39 2HG GLU 39 1.366 11.752 9.356
262 HG3 GLU 39 1HG GLU 39 1.583 10.010 9.465
263 H MET 40 H MET 40 3.511 8.907 6.194
264 HA MET 40 HA MET 40 5.270 10.556 4.595
265 HB2 MET 40 2HB MET 40 5.449 7.590 5.105
266 HB3 MET 40 1HB MET 40 6.600 8.498 4.128
267 HG2 MET 40 2HG MET 40 7.137 9.888 6.076
268 HG3 MET 40 1HG MET 40 6.018 8.924 7.035
269 HE1 MET 40 3HE MET 40 9.406 8.927 5.024
270 HE2 MET 40 1HE MET 40 8.520 7.645 4.200
271 HE3 MET 40 2HE MET 40 9.929 7.265 5.197
272 H ALA 41 H ALA 41 3.100 7.784 3.832
273 HA ALA 41 HA ALA 41 3.692 7.841 1.055
274 HB1 ALA 41 1HB ALA 41 1.406 6.806 2.596
275 HB2 ALA 41 2HB ALA 41 2.784 5.799 2.001
276 HB3 ALA 41 3HB ALA 41 1.614 6.533 0.891
277 H GLU 42 H GLU 42 1.279 9.489 3.017
278 HA GLU 42 HA GLU 42 -0.209 10.148 0.641
279 HB2 GLU 42 2HB GLU 42 -0.639 10.727 3.539
280 HB3 GLU 42 1HB GLU 42 -1.709 11.323 2.284
281 HG2 GLU 42 2HG GLU 42 -2.153 8.944 1.661
282 HG3 GLU 42 1HG GLU 42 -1.172 8.449 3.044
283 H ASN 43 H ASN 43 2.001 11.532 2.769
284 HA ASN 43 HA ASN 43 1.576 14.185 1.624
285 HB2 ASN 43 2HB ASN 43 3.157 13.335 3.960
286 HB3 ASN 43 1HB ASN 43 3.433 14.898 3.232
287 HD21 ASN 43 1HD2 ASN 43 1.771 16.456 3.345
288 HD22 ASN 43 2HD2 ASN 43 0.462 16.332 4.459
289 H GLU 44 H GLU 44 3.937 11.719 1.202
290 HA GLU 44 HA GLU 44 5.238 13.521 -0.667
291 HB2 GLU 44 2HB GLU 44 6.825 11.968 1.373
292 HB3 GLU 44 1HB GLU 44 7.513 12.806 0.001
293 HG2 GLU 44 2HG GLU 44 6.521 14.917 0.936
294 HG3 GLU 44 1HG GLU 44 6.140 13.970 2.376
295 H ASP 45 H ASP 45 6.950 12.338 -2.024
296 HA ASP 45 HA ASP 45 5.965 10.282 -3.545
297 HB2 ASP 45 2HB ASP 45 8.892 10.742 -2.949
298 HB3 ASP 45 1HB ASP 45 8.159 10.213 -4.445
299 H TYR 46 H TYR 46 5.915 8.021 -3.109
300 HA TYR 46 HA TYR 46 7.691 7.376 -0.929
301 HB2 TYR 46 2HB TYR 46 5.449 7.208 -0.058
302 HB3 TYR 46 1HB TYR 46 5.014 6.032 -1.299
303 HD1 TYR 46 2HD TYR 46 7.458 6.576 1.506
304 HD2 TYR 46 1HD TYR 46 5.312 3.932 -0.899
305 HE1 TYR 46 2HE TYR 46 8.317 4.732 2.876
306 HE2 TYR 46 1HE TYR 46 6.192 1.965 0.434
307 HH TYR 46 HH TYR 46 7.709 2.312 3.420
308 H ILE 47 H ILE 47 8.823 6.022 -0.894
309 HA ILE 47 HA ILE 47 9.444 4.306 -3.293
310 HB ILE 47 HB ILE 47 11.504 5.476 -1.388
311 HG12 ILE 47 2HG1 ILE 47 10.448 7.218 -2.785
312 HG13 ILE 47 1HG1 ILE 47 12.149 7.013 -3.188
313 HG21 ILE 47 1HG2 ILE 47 12.208 3.358 -2.383
314 HG22 ILE 47 2HG2 ILE 47 13.178 4.688 -3.010
315 HG23 ILE 47 3HG2 ILE 47 11.891 3.992 -3.995
316 HD11 ILE 47 3HD1 ILE 47 9.782 5.969 -4.732
317 HD12 ILE 47 1HD1 ILE 47 11.474 5.702 -5.149
318 HD13 ILE 47 2HD1 ILE 47 10.807 7.337 -5.162
319 H CYS 48 H CYS 48 9.367 2.311 -2.928
320 HA CYS 48 HA CYS 48 8.871 1.316 -0.220
321 HB2 CYS 48 2HB CYS 48 8.337 -0.782 -1.100
322 HB3 CYS 48 1HB CYS 48 7.819 0.302 -2.367
323 H ILE 49 H ILE 49 10.135 -0.815 0.584
324 HA ILE 49 HA ILE 49 12.722 0.065 1.015
325 HB ILE 49 HB ILE 49 12.964 -1.895 2.386
326 HG12 ILE 49 2HG1 ILE 49 10.921 -3.001 2.863
327 HG13 ILE 49 1HG1 ILE 49 10.258 -2.633 1.279
328 HG21 ILE 49 1HG2 ILE 49 11.905 0.121 3.225
329 HG22 ILE 49 2HG2 ILE 49 11.046 -1.302 3.892
330 HG23 ILE 49 3HG2 ILE 49 10.420 -0.445 2.460
331 HD11 ILE 49 3HD1 ILE 49 12.289 -3.862 0.297
332 HD12 ILE 49 1HD1 ILE 49 11.160 -4.909 1.167
333 HD13 ILE 49 2HD1 ILE 49 12.655 -4.395 1.941
334 H ASN 50 H ASN 50 11.347 -1.944 -1.149
335 HA ASN 50 HA ASN 50 13.628 -3.558 -1.944
336 HB2 ASN 50 2HB ASN 50 11.061 -3.003 -3.438
337 HB3 ASN 50 1HB ASN 50 12.306 -4.076 -4.037
338 HD21 ASN 50 1HD2 ASN 50 12.664 -6.039 -2.996
339 HD22 ASN 50 2HD2 ASN 50 11.500 -6.705 -1.921
340 H CYS 51 H CYS 51 12.332 -0.531 -2.927
341 HA CYS 51 HA CYS 51 14.377 -0.265 -5.027
342 HB2 CYS 51 2HB CYS 51 11.996 1.526 -4.465
343 HB3 CYS 51 1HB CYS 51 13.091 1.677 -5.832
344 H ALA 52 H ALA 52 14.080 0.331 -1.881
345 HA ALA 52 HA ALA 52 15.819 2.716 -2.002
346 HB1 ALA 52 3HB ALA 52 15.064 3.371 0.220
347 HB2 ALA 52 1HB ALA 52 14.058 1.921 0.306
348 HB3 ALA 52 2HB ALA 52 13.693 3.185 -0.874
349 HA ALA 301 HA ALA 301 3.396 9.359 -4.891
350 HB1 ALA 301 2HB ALA 301 2.315 9.043 -2.080
351 HB2 ALA 301 3HB ALA 301 4.015 8.966 -2.557
352 HB3 ALA 301 1HB ALA 301 2.886 7.732 -3.111
353 H ARG 302 H ARG 302 1.782 7.368 -4.764
354 HA ARG 302 HA ARG 302 -0.923 8.377 -5.225
355 HB2 ARG 302 2HB ARG 302 0.437 6.155 -6.762
356 HB3 ARG 302 1HB ARG 302 -1.228 6.671 -6.990
357 HG2 ARG 302 2HG ARG 302 1.268 8.241 -7.567
358 HG3 ARG 302 1HG ARG 302 0.127 7.559 -8.739
359 HD2 ARG 302 2HD ARG 302 -0.432 9.768 -6.748
360 HD3 ARG 302 1HD ARG 302 -0.216 9.967 -8.468
361 HE ARG 302 HE ARG 302 -2.226 8.536 -8.728
362 HH11 ARG 302 1HH1 ARG 302 -1.739 10.467 -5.782
363 HH12 ARG 302 2HH1 ARG 302 -3.373 10.701 -5.436
364 HH21 ARG 302 1HH2 ARG 302 -4.579 8.837 -8.248
365 HH22 ARG 302 2HH2 ARG 302 -5.040 9.708 -6.887
366 H THR 303 H THR 303 -2.335 7.605 -3.859
367 HA THR 303 HA THR 303 -1.830 5.005 -2.635
368 HB THR 303 HB THR 303 -3.152 6.058 -0.703
369 HG1 THR 303 1HG THR 303 -3.359 8.275 -0.710
370 HG21 THR 303 3HG2 THR 303 -0.409 7.108 -1.410
371 HG22 THR 303 1HG2 THR 303 -0.775 5.572 -0.645
372 HG23 THR 303 2HG2 THR 303 -1.082 7.086 0.234
373 H M3L 304 H M3L 304 -3.882 4.020 -1.787
374 HA M3L 304 HA M3L 304 -6.345 5.037 -2.823
375 HB2 M3L 304 1HB M3L 304 -5.778 3.755 -4.834
376 HB3 M3L 304 2HB M3L 304 -7.044 2.923 -3.900
377 HG2 M3L 304 1HG M3L 304 -5.462 1.471 -2.939
378 HG3 M3L 304 2HG M3L 304 -4.195 2.144 -3.978
379 HD2 M3L 304 1HD M3L 304 -6.657 0.660 -4.875
380 HD3 M3L 304 2HD M3L 304 -4.966 0.101 -4.937
381 HE2 M3L 304 1HE M3L 304 -4.445 1.955 -6.417
382 HE3 M3L 304 2HE M3L 304 -6.174 2.310 -6.453
383 HM11 M3L 304 1HM1 M3L 304 -4.917 -1.265 -6.386
384 HM12 M3L 304 2HM1 M3L 304 -3.683 -0.416 -7.225
385 HM13 M3L 304 3HM1 M3L 304 -4.794 -1.387 -8.102
386 HM21 M3L 304 1HM2 M3L 304 -4.654 2.065 -8.508
387 HM22 M3L 304 2HM2 M3L 304 -6.114 1.564 -9.281
388 HM23 M3L 304 3HM2 M3L 304 -4.670 0.583 -9.404
389 HM31 M3L 304 3HM3 M3L 304 -7.322 -0.490 -6.642
390 HM32 M3L 304 1HM3 M3L 304 -7.157 -0.699 -8.348
391 HM33 M3L 304 2HM3 M3L 304 -7.720 0.797 -7.718
392 H GLN 305 H GLN 305 -8.103 3.371 -2.335
393 HA GLN 305 HA GLN 305 -7.597 1.730 -0.027
394 HB2 GLN 305 2HB GLN 305 -7.988 4.021 0.915
395 HB3 GLN 305 1HB GLN 305 -9.528 4.070 0.080
396 HG2 GLN 305 2HG GLN 305 -10.296 2.168 1.427
397 HG3 GLN 305 1HG GLN 305 -8.726 2.134 2.232
398 HE21 GLN 305 1HE2 GLN 305 -8.167 3.822 3.625
399 HE22 GLN 305 2HE2 GLN 305 -9.400 4.833 4.318
400 H THR 306 H THR 306 -8.589 -0.043 -0.689
401 HA THR 306 HA THR 306 -10.816 0.196 -2.571
402 HB THR 306 HB THR 306 -10.463 -2.218 -2.960
403 HG1 THR 306 1HG THR 306 -9.605 -2.342 -0.676
404 HG21 THR 306 3HG2 THR 306 -9.070 -0.532 -4.254
405 HG22 THR 306 1HG2 THR 306 -8.253 -2.081 -4.020
406 HG23 THR 306 2HG2 THR 306 -7.816 -0.730 -3.019
407 H ALA 307 H ALA 307 -12.856 -0.177 -1.964
408 HA ALA 307 HA ALA 307 -13.270 -1.169 0.734
409 HB1 ALA 307 1HB ALA 307 -14.332 0.982 0.152
410 HB2 ALA 307 2HB ALA 307 -15.506 -0.246 0.566
411 HB3 ALA 307 3HB ALA 307 -15.230 0.175 -1.133
412 H ARG 308 H ARG 308 -13.506 -3.215 0.866
413 HA ARG 308 HA ARG 308 -14.862 -4.728 -1.254
414 HB2 ARG 308 2HB ARG 308 -13.173 -5.711 1.066
415 HB3 ARG 308 1HB ARG 308 -13.806 -6.696 -0.243
416 HG2 ARG 308 2HG ARG 308 -11.741 -4.508 -0.525
417 HG3 ARG 308 1HG ARG 308 -11.419 -6.242 -0.516
418 HD2 ARG 308 2HD ARG 308 -12.696 -6.521 -2.554
419 HD3 ARG 308 1HD ARG 308 -13.122 -4.802 -2.543
420 HE ARG 308 HE ARG 308 -10.327 -5.104 -2.478
421 HH11 ARG 308 1HH1 ARG 308 -13.026 -5.540 -4.747
422 HH12 ARG 308 2HH1 ARG 308 -12.135 -5.107 -6.113
423 HH21 ARG 308 1HH2 ARG 308 -9.078 -4.532 -4.414
424 HH22 ARG 308 2HH2 ARG 308 -9.845 -4.539 -5.931
425 H LYS 309 H LYS 309 -16.651 -6.022 -0.635
426 HA LYS 309 HA LYS 309 -17.664 -5.279 2.010
427 HB2 LYS 309 2HB LYS 309 -19.272 -6.066 -0.416
428 HB3 LYS 309 1HB LYS 309 -19.971 -5.764 1.173
429 HG2 LYS 309 2HG LYS 309 -19.084 -3.452 1.075
430 HG3 LYS 309 1HG LYS 309 -18.518 -3.769 -0.558
431 HD2 LYS 309 2HD LYS 309 -20.862 -4.287 -1.212
432 HD3 LYS 309 1HD LYS 309 -21.375 -3.887 0.411
433 HE2 LYS 309 2HE LYS 309 -21.753 -1.987 -1.076
434 HE3 LYS 309 1HE LYS 309 -20.539 -1.591 0.127
435 HZ1 LYS 309 3HZ LYS 309 -18.819 -1.949 -1.531
436 HZ2 LYS 309 1HZ LYS 309 -19.951 -0.834 -2.072
437 HZ3 LYS 309 2HZ LYS 309 -19.978 -2.400 -2.685
Start of MODEL 11
1 HA SER 1 HA SER 1 -6.830 -7.571 -2.096
2 HB2 SER 1 2HB SER 1 -7.177 -9.546 -0.573
3 HB3 SER 1 1HB SER 1 -8.192 -9.597 -2.009
4 HG SER 1 HG SER 1 -6.787 -11.097 -2.914
5 H VAL 2 H VAL 2 -4.194 -9.325 -3.243
6 HA VAL 2 HA VAL 2 -2.580 -8.716 -0.891
7 HB VAL 2 HB VAL 2 -1.901 -10.615 -3.144
8 HG11 VAL 2 1HG1 VAL 2 -0.607 -10.241 -0.441
9 HG12 VAL 2 2HG1 VAL 2 0.073 -9.830 -2.019
10 HG13 VAL 2 3HG1 VAL 2 -0.215 -11.512 -1.597
11 HG21 VAL 2 3HG2 VAL 2 -3.849 -11.471 -1.973
12 HG22 VAL 2 1HG2 VAL 2 -3.011 -11.313 -0.426
13 HG23 VAL 2 2HG2 VAL 2 -2.435 -12.477 -1.632
14 H CYS 3 H CYS 3 -0.664 -7.557 -1.270
15 HA CYS 3 HA CYS 3 -0.611 -6.036 -3.766
16 HB2 CYS 3 2HB CYS 3 0.222 -4.293 -2.516
17 HB3 CYS 3 1HB CYS 3 -0.855 -5.058 -1.357
18 H ALA 4 H ALA 4 1.786 -5.293 -3.967
19 HA ALA 4 HA ALA 4 3.339 -7.844 -3.840
20 HB1 ALA 4 1HB ALA 4 4.798 -7.100 -5.562
21 HB2 ALA 4 2HB ALA 4 4.023 -5.502 -5.515
22 HB3 ALA 4 3HB ALA 4 3.100 -6.915 -6.064
23 H ALA 5 H ALA 5 3.417 -6.545 -1.511
24 HA ALA 5 HA ALA 5 6.242 -5.937 -1.329
25 HB1 ALA 5 1HB ALA 5 4.266 -6.113 0.975
26 HB2 ALA 5 2HB ALA 5 4.645 -4.677 0.046
27 HB3 ALA 5 3HB ALA 5 5.887 -5.432 1.017
28 H GLN 6 H GLN 6 7.794 -7.135 -0.556
29 HA GLN 6 HA GLN 6 8.083 -9.823 -0.706
30 HB2 GLN 6 2HB GLN 6 9.943 -8.271 -0.385
31 HB3 GLN 6 1HB GLN 6 9.500 -8.062 1.296
32 HG2 GLN 6 2HG GLN 6 9.961 -10.496 1.646
33 HG3 GLN 6 1HG GLN 6 10.516 -10.564 -0.023
34 HE21 GLN 6 1HE2 GLN 6 12.468 -9.569 -0.592
35 HE22 GLN 6 2HE2 GLN 6 13.609 -9.080 0.593
36 H ASN 7 H ASN 7 7.325 -8.243 2.384
37 HA ASN 7 HA ASN 7 6.380 -10.889 3.336
38 HB2 ASN 7 2HB ASN 7 8.503 -10.138 4.500
39 HB3 ASN 7 1HB ASN 7 7.624 -8.760 5.123
40 HD21 ASN 7 1HD2 ASN 7 6.067 -9.096 6.769
41 HD22 ASN 7 2HD2 ASN 7 6.040 -10.553 7.680
42 H CYS 8 H CYS 8 4.414 -10.100 2.308
43 HA CYS 8 HA CYS 8 3.008 -8.134 3.856
44 HB2 CYS 8 2HB CYS 8 3.028 -7.617 1.530
45 HB3 CYS 8 1HB CYS 8 2.476 -9.229 1.104
46 H GLN 9 H GLN 9 1.029 -8.374 4.365
47 HA GLN 9 HA GLN 9 -0.166 -11.084 4.726
48 HB2 GLN 9 2HB GLN 9 -1.358 -10.436 6.762
49 HB3 GLN 9 1HB GLN 9 0.340 -10.121 6.971
50 HG2 GLN 9 2HG GLN 9 -0.030 -7.739 6.576
51 HG3 GLN 9 1HG GLN 9 -1.740 -8.057 6.296
52 HE21 GLN 9 1HE2 GLN 9 0.779 -7.920 8.670
53 HE22 GLN 9 2HE2 GLN 9 -0.233 -7.931 10.047
54 H ARG 10 H ARG 10 -2.390 -11.358 4.212
55 HA ARG 10 HA ARG 10 -3.482 -9.457 2.354
56 HB2 ARG 10 2HB ARG 10 -3.226 -11.901 1.842
57 HB3 ARG 10 1HB ARG 10 -4.337 -12.253 3.155
58 HG2 ARG 10 2HG ARG 10 -6.009 -10.794 1.916
59 HG3 ARG 10 1HG ARG 10 -4.924 -10.899 0.531
60 HD2 ARG 10 2HD ARG 10 -6.254 -13.180 1.977
61 HD3 ARG 10 1HD ARG 10 -6.664 -12.565 0.379
62 HE ARG 10 HE ARG 10 -4.036 -13.338 0.222
63 HH11 ARG 10 1HH1 ARG 10 -7.120 -14.888 0.962
64 HH12 ARG 10 2HH1 ARG 10 -6.634 -16.448 0.484
65 HH21 ARG 10 1HH2 ARG 10 -3.351 -15.572 -0.488
66 HH22 ARG 10 2HH2 ARG 10 -4.455 -16.814 -0.371
67 HA PRO 11 HA PRO 11 -6.010 -8.410 6.052
68 HB2 PRO 11 2HB PRO 11 -6.993 -6.102 4.654
69 HB3 PRO 11 1HB PRO 11 -5.867 -6.153 6.004
70 HG2 PRO 11 2HG PRO 11 -5.240 -5.451 3.364
71 HG3 PRO 11 1HG PRO 11 -4.085 -5.862 4.629
72 HD2 PRO 11 2HD PRO 11 -4.922 -7.524 2.305
73 HD3 PRO 11 1HD PRO 11 -3.503 -7.586 3.332
74 H CYS 12 H CYS 12 -7.458 -7.450 2.932
75 HA CYS 12 HA CYS 12 -9.446 -7.747 1.965
76 HB2 CYS 12 2HB CYS 12 -9.504 -10.307 3.579
77 HB3 CYS 12 1HB CYS 12 -10.626 -9.916 2.283
78 HG CYS 12 HG CYS 12 -8.838 -11.749 1.287
79 H LYS 13 H LYS 13 -9.323 -6.450 4.657
80 HA LYS 13 HA LYS 13 -11.854 -6.947 5.895
81 HB2 LYS 13 2HB LYS 13 -10.043 -4.518 6.188
82 HB3 LYS 13 1HB LYS 13 -11.249 -4.961 7.344
83 HG2 LYS 13 2HG LYS 13 -10.051 -7.063 7.737
84 HG3 LYS 13 1HG LYS 13 -8.740 -6.383 6.777
85 HD2 LYS 13 2HD LYS 13 -8.781 -4.372 8.237
86 HD3 LYS 13 1HD LYS 13 -9.954 -5.200 9.262
87 HE2 LYS 13 2HE LYS 13 -7.406 -6.192 8.405
88 HE3 LYS 13 1HE LYS 13 -7.514 -5.398 9.996
89 HZ1 LYS 13 3HZ LYS 13 -8.592 -8.077 9.113
90 HZ2 LYS 13 1HZ LYS 13 -9.194 -7.304 10.486
91 HZ3 LYS 13 2HZ LYS 13 -7.590 -7.758 10.387
92 H ASP 14 H ASP 14 -13.200 -4.582 6.170
93 HA ASP 14 HA ASP 14 -14.579 -4.346 3.754
94 HB2 ASP 14 2HB ASP 14 -15.711 -3.662 5.767
95 HB3 ASP 14 1HB ASP 14 -14.496 -2.426 6.073
96 H LYS 15 H LYS 15 -12.704 -1.631 5.087
97 HA LYS 15 HA LYS 15 -11.796 -1.218 2.366
98 HB2 LYS 15 2HB LYS 15 -12.566 0.850 4.415
99 HB3 LYS 15 1HB LYS 15 -11.610 1.253 2.979
100 HG2 LYS 15 2HG LYS 15 -13.437 0.413 1.573
101 HG3 LYS 15 1HG LYS 15 -14.388 0.068 3.008
102 HD2 LYS 15 2HD LYS 15 -13.398 2.833 2.287
103 HD3 LYS 15 1HD LYS 15 -14.980 2.185 1.833
104 HE2 LYS 15 2HE LYS 15 -13.953 2.301 4.602
105 HE3 LYS 15 1HE LYS 15 -14.923 3.632 3.920
106 HZ1 LYS 15 3HZ LYS 15 -16.713 1.887 3.611
107 HZ2 LYS 15 1HZ LYS 15 -16.304 2.133 5.209
108 HZ3 LYS 15 2HZ LYS 15 -15.757 0.779 4.406
109 H VAL 16 H VAL 16 -9.639 -1.023 2.045
110 HA VAL 16 HA VAL 16 -7.948 -1.040 4.423
111 HB VAL 16 HB VAL 16 -6.578 -2.906 3.520
112 HG11 VAL 16 1HG1 VAL 16 -8.259 -3.490 5.111
113 HG12 VAL 16 2HG1 VAL 16 -8.212 -4.754 3.872
114 HG13 VAL 16 3HG1 VAL 16 -9.483 -3.539 3.854
115 HG21 VAL 16 3HG2 VAL 16 -7.497 -4.336 1.661
116 HG22 VAL 16 1HG2 VAL 16 -7.007 -2.716 1.126
117 HG23 VAL 16 2HG2 VAL 16 -8.708 -3.099 1.381
118 H ASP 17 H ASP 17 -5.714 -0.325 4.020
119 HA ASP 17 HA ASP 17 -5.812 1.724 2.025
120 HB2 ASP 17 2HB ASP 17 -3.774 1.230 4.188
121 HB3 ASP 17 1HB ASP 17 -4.029 2.710 3.252
122 H TRP 18 H TRP 18 -4.397 1.993 0.566
123 HA TRP 18 HA TRP 18 -2.277 -0.044 0.042
124 HB2 TRP 18 2HB TRP 18 -3.934 1.348 -2.001
125 HB3 TRP 18 1HB TRP 18 -2.710 0.186 -2.386
126 HD1 TRP 18 HD TRP 18 -6.020 0.128 -0.329
127 HE1 TRP 18 1HE TRP 18 -7.231 -2.105 -0.870
128 HE3 TRP 18 3HE TRP 18 -2.687 -1.840 -3.511
129 HZ2 TRP 18 2HZ TRP 18 -6.834 -4.318 -2.428
130 HZ3 TRP 18 3HZ TRP 18 -3.154 -4.039 -4.564
131 HH2 TRP 18 HH TRP 18 -5.166 -5.232 -4.065
132 H VAL 19 H VAL 19 -0.411 0.800 -1.427
133 HA VAL 19 HA VAL 19 -0.106 3.689 -1.445
134 HB VAL 19 HB VAL 19 2.122 1.850 -0.999
135 HG11 VAL 19 1HG1 VAL 19 1.782 4.696 -0.230
136 HG12 VAL 19 2HG1 VAL 19 2.728 4.017 -1.559
137 HG13 VAL 19 3HG1 VAL 19 3.226 3.738 0.117
138 HG21 VAL 19 3HG2 VAL 19 0.570 2.855 1.376
139 HG22 VAL 19 1HG2 VAL 19 2.164 2.080 1.386
140 HG23 VAL 19 2HG2 VAL 19 0.757 1.174 0.830
141 H GLN 20 H GLN 20 0.834 4.164 -3.299
142 HA GLN 20 HA GLN 20 1.848 2.053 -5.104
143 HB2 GLN 20 2HB GLN 20 0.381 4.419 -5.491
144 HB3 GLN 20 1HB GLN 20 1.954 4.714 -6.214
145 HG2 GLN 20 2HG GLN 20 0.040 2.500 -6.918
146 HG3 GLN 20 1HG GLN 20 0.405 3.959 -7.834
147 HE21 GLN 20 1HE2 GLN 20 0.586 1.199 -8.653
148 HE22 GLN 20 2HE2 GLN 20 2.219 0.999 -9.134
149 H CYS 21 H CYS 21 3.985 2.014 -5.661
150 HA CYS 21 HA CYS 21 5.868 3.622 -4.079
151 HB2 CYS 21 2HB CYS 21 6.355 1.131 -4.630
152 HB3 CYS 21 1HB CYS 21 6.550 1.631 -6.302
153 H ASP 22 H ASP 22 7.163 5.225 -4.981
154 HA ASP 22 HA ASP 22 6.502 5.918 -7.778
155 HB2 ASP 22 2HB ASP 22 7.254 7.701 -5.472
156 HB3 ASP 22 1HB ASP 22 7.032 8.268 -7.126
157 H GLY 23 H GLY 23 8.689 4.160 -6.596
158 HA2 GLY 23 2HA GLY 23 10.979 5.856 -7.360
159 HA3 GLY 23 1HA GLY 23 11.011 4.657 -6.088
160 H GLY 24 H GLY 24 9.374 3.488 -8.774
161 HA2 GLY 24 2HA GLY 24 11.086 2.888 -10.733
162 HA3 GLY 24 1HA GLY 24 11.832 1.984 -9.434
163 H CYS 25 H CYS 25 9.866 0.665 -8.218
164 HA CYS 25 HA CYS 25 9.201 -1.179 -10.278
165 HB2 CYS 25 2HB CYS 25 8.192 -2.602 -8.496
166 HB3 CYS 25 1HB CYS 25 9.747 -1.998 -7.950
167 H ASP 26 H ASP 26 6.889 -0.078 -7.947
168 HA ASP 26 HA ASP 26 5.466 1.651 -7.986
169 HB2 ASP 26 2HB ASP 26 5.412 1.728 -11.029
170 HB3 ASP 26 1HB ASP 26 4.714 2.839 -9.902
171 H GLU 27 H GLU 27 4.874 -0.528 -7.253
172 HA GLU 27 HA GLU 27 2.429 -1.271 -8.600
173 HB2 GLU 27 2HB GLU 27 4.373 -2.967 -6.991
174 HB3 GLU 27 1HB GLU 27 2.768 -3.486 -7.461
175 HG2 GLU 27 2HG GLU 27 3.439 -3.306 -9.842
176 HG3 GLU 27 1HG GLU 27 5.029 -2.775 -9.325
177 H TRP 28 H TRP 28 1.121 -2.451 -6.626
178 HA TRP 28 HA TRP 28 1.001 -0.278 -4.700
179 HB2 TRP 28 2HB TRP 28 -1.071 -2.333 -5.403
180 HB3 TRP 28 1HB TRP 28 -1.203 -1.066 -4.169
181 HD1 TRP 28 HD TRP 28 -1.145 -1.513 -7.967
182 HE1 TRP 28 1HE TRP 28 -2.129 0.575 -9.046
183 HE3 TRP 28 3HE TRP 28 -1.621 1.373 -3.793
184 HZ2 TRP 28 2HZ TRP 28 -2.982 3.165 -8.222
185 HZ3 TRP 28 3HZ TRP 28 -2.563 3.650 -4.065
186 HH2 TRP 28 HH TRP 28 -3.224 4.484 -6.195
187 H PHE 29 H PHE 29 1.080 -0.513 -2.680
188 HA PHE 29 HA PHE 29 1.589 -3.164 -1.406
189 HB2 PHE 29 2HB PHE 29 2.507 -0.564 -0.281
190 HB3 PHE 29 1HB PHE 29 3.047 -2.193 0.088
191 HD1 PHE 29 2HD PHE 29 4.299 -3.400 -1.894
192 HD2 PHE 29 1HD PHE 29 3.714 0.808 -1.499
193 HE1 PHE 29 2HE PHE 29 6.256 -2.965 -3.336
194 HE2 PHE 29 1HE PHE 29 5.588 1.237 -2.861
195 HZ PHE 29 HZ PHE 29 6.908 -0.609 -3.807
196 H HIS 30 H HIS 30 1.207 -2.954 0.986
197 HA HIS 30 HA HIS 30 -1.100 -1.159 1.554
198 HB2 HIS 30 2HB HIS 30 -0.150 -3.540 3.167
199 HB3 HIS 30 1HB HIS 30 -1.542 -2.565 3.557
200 HD2 HIS 30 2HD HIS 30 -3.869 -3.176 2.042
201 HE1 HIS 30 1HE HIS 30 -2.244 -6.858 0.627
202 HE2 HIS 30 2HE HIS 30 -4.252 -5.304 0.577
203 H GLN 31 H GLN 31 -0.816 0.298 3.218
204 HA GLN 31 HA GLN 31 1.548 1.522 3.756
205 HB2 GLN 31 2HB GLN 31 -0.773 1.220 5.634
206 HB3 GLN 31 1HB GLN 31 0.440 2.513 5.641
207 HG2 GLN 31 2HG GLN 31 -0.844 2.010 3.161
208 HG3 GLN 31 1HG GLN 31 -1.989 2.745 4.343
209 HE21 GLN 31 1HE2 GLN 31 -1.304 3.852 1.863
210 HE22 GLN 31 2HE2 GLN 31 -0.299 5.230 2.132
211 H VAL 32 H VAL 32 0.025 -1.021 5.887
212 HA VAL 32 HA VAL 32 2.060 -0.787 7.790
213 HB VAL 32 HB VAL 32 0.941 -2.646 8.929
214 HG11 VAL 32 1HG1 VAL 32 -0.989 -0.661 7.785
215 HG12 VAL 32 2HG1 VAL 32 0.043 -0.392 9.195
216 HG13 VAL 32 3HG1 VAL 32 -1.245 -1.618 9.240
217 HG21 VAL 32 3HG2 VAL 32 0.399 -3.984 6.945
218 HG22 VAL 32 1HG2 VAL 32 -0.819 -2.802 6.471
219 HG23 VAL 32 2HG2 VAL 32 -1.040 -3.734 7.948
220 H CYS 33 H CYS 33 1.736 -2.774 4.900
221 HA CYS 33 HA CYS 33 3.435 -4.851 5.981
222 HB2 CYS 33 2HB CYS 33 2.993 -6.037 3.795
223 HB3 CYS 33 1HB CYS 33 1.496 -5.503 4.550
224 H VAL 34 H VAL 34 3.770 -1.994 3.959
225 HA VAL 34 HA VAL 34 6.348 -2.933 3.171
226 HB VAL 34 HB VAL 34 4.660 -2.235 1.422
227 HG11 VAL 34 1HG1 VAL 34 3.494 -0.382 2.486
228 HG12 VAL 34 2HG1 VAL 34 4.296 0.102 1.002
229 HG13 VAL 34 3HG1 VAL 34 5.042 0.473 2.544
230 HG21 VAL 34 3HG2 VAL 34 7.133 -0.675 1.669
231 HG22 VAL 34 1HG2 VAL 34 6.197 -0.892 0.159
232 HG23 VAL 34 2HG2 VAL 34 6.888 -2.322 0.979
233 H GLY 35 H GLY 35 5.385 -1.685 5.832
234 HA2 GLY 35 2HA GLY 35 6.032 -0.194 7.368
235 HA3 GLY 35 1HA GLY 35 7.573 -0.182 6.534
236 H VAL 36 H VAL 36 4.332 1.140 5.721
237 HA VAL 36 HA VAL 36 5.609 3.782 5.307
238 HB VAL 36 HB VAL 36 2.737 2.983 4.665
239 HG11 VAL 36 1HG1 VAL 36 3.262 5.454 4.877
240 HG12 VAL 36 2HG1 VAL 36 2.466 4.719 3.499
241 HG13 VAL 36 3HG1 VAL 36 4.175 5.174 3.324
242 HG21 VAL 36 3HG2 VAL 36 3.455 3.359 2.371
243 HG22 VAL 36 1HG2 VAL 36 3.790 1.759 3.100
244 HG23 VAL 36 2HG2 VAL 36 5.095 2.973 2.934
245 H SER 37 H SER 37 4.450 5.737 6.463
246 HA SER 37 HA SER 37 2.598 4.862 8.431
247 HB2 SER 37 2HB SER 37 4.452 7.280 8.336
248 HB3 SER 37 1HB SER 37 3.392 6.843 9.673
249 HG SER 37 HG SER 37 4.968 4.807 8.940
250 HA PRO 38 HA PRO 38 -0.497 6.697 5.765
251 HB2 PRO 38 2HB PRO 38 -1.190 8.287 8.208
252 HB3 PRO 38 1HB PRO 38 -2.254 7.423 7.095
253 HG2 PRO 38 2HG PRO 38 -1.598 6.376 9.439
254 HG3 PRO 38 1HG PRO 38 -1.751 5.357 7.996
255 HD2 PRO 38 2HD PRO 38 0.704 6.146 9.485
256 HD3 PRO 38 1HD PRO 38 0.408 4.752 8.426
257 H GLU 39 H GLU 39 1.127 8.974 7.924
258 HA GLU 39 HA GLU 39 0.554 11.404 6.675
259 HB2 GLU 39 2HB GLU 39 3.094 10.635 8.085
260 HB3 GLU 39 1HB GLU 39 2.416 12.245 7.948
261 HG2 GLU 39 2HG GLU 39 0.548 11.591 9.362
262 HG3 GLU 39 1HG GLU 39 1.158 9.948 9.429
263 H MET 40 H MET 40 3.046 9.076 6.239
264 HA MET 40 HA MET 40 4.791 10.738 4.631
265 HB2 MET 40 2HB MET 40 4.900 7.762 5.121
266 HB3 MET 40 1HB MET 40 6.119 8.683 4.264
267 HG2 MET 40 2HG MET 40 6.619 9.950 6.245
268 HG3 MET 40 1HG MET 40 5.327 9.143 7.133
269 HE1 MET 40 3HE MET 40 8.596 7.705 8.766
270 HE2 MET 40 1HE MET 40 7.089 8.577 9.061
271 HE3 MET 40 2HE MET 40 8.390 9.329 8.124
272 H ALA 41 H ALA 41 2.733 7.904 3.891
273 HA ALA 41 HA ALA 41 3.331 7.906 1.119
274 HB1 ALA 41 1HB ALA 41 1.034 6.871 2.621
275 HB2 ALA 41 2HB ALA 41 2.489 5.912 2.094
276 HB3 ALA 41 3HB ALA 41 1.324 6.557 0.926
277 H GLU 42 H GLU 42 0.919 9.757 2.940
278 HA GLU 42 HA GLU 42 -0.495 10.259 0.467
279 HB2 GLU 42 2HB GLU 42 -0.934 11.122 3.292
280 HB3 GLU 42 1HB GLU 42 -1.974 11.669 1.961
281 HG2 GLU 42 2HG GLU 42 -2.555 9.285 1.574
282 HG3 GLU 42 1HG GLU 42 -1.570 8.855 2.969
283 H ASN 43 H ASN 43 1.859 11.607 2.441
284 HA ASN 43 HA ASN 43 1.502 14.234 1.231
285 HB2 ASN 43 2HB ASN 43 3.006 13.380 3.630
286 HB3 ASN 43 1HB ASN 43 3.325 14.924 2.862
287 HD21 ASN 43 1HD2 ASN 43 1.721 16.518 2.944
288 HD22 ASN 43 2HD2 ASN 43 0.343 16.426 3.972
289 H GLU 44 H GLU 44 4.001 11.724 1.175
290 HA GLU 44 HA GLU 44 5.166 13.305 -0.908
291 HB2 GLU 44 2HB GLU 44 6.390 14.044 0.956
292 HB3 GLU 44 1HB GLU 44 6.607 12.418 1.586
293 HG2 GLU 44 2HG GLU 44 8.163 11.899 0.020
294 HG3 GLU 44 1HG GLU 44 7.780 13.259 -1.036
295 H ASP 45 H ASP 45 6.539 12.105 -2.381
296 HA ASP 45 HA ASP 45 5.450 9.749 -3.175
297 HB2 ASP 45 2HB ASP 45 7.427 9.592 -4.718
298 HB3 ASP 45 1HB ASP 45 6.584 11.114 -4.758
299 H TYR 46 H TYR 46 5.825 7.670 -2.822
300 HA TYR 46 HA TYR 46 7.742 7.186 -0.682
301 HB2 TYR 46 2HB TYR 46 5.493 6.925 0.124
302 HB3 TYR 46 1HB TYR 46 5.150 5.723 -1.132
303 HD1 TYR 46 2HD TYR 46 7.448 6.412 1.705
304 HD2 TYR 46 1HD TYR 46 5.493 3.643 -0.708
305 HE1 TYR 46 2HE TYR 46 8.355 4.623 3.142
306 HE2 TYR 46 1HE TYR 46 6.380 1.730 0.655
307 HH TYR 46 HH TYR 46 8.188 1.298 2.291
308 H ILE 47 H ILE 47 8.929 5.790 -0.651
309 HA ILE 47 HA ILE 47 9.593 4.160 -3.117
310 HB ILE 47 HB ILE 47 11.659 5.094 -1.096
311 HG12 ILE 47 2HG1 ILE 47 10.516 7.007 -2.207
312 HG13 ILE 47 1HG1 ILE 47 12.250 6.929 -2.582
313 HG21 ILE 47 1HG2 ILE 47 13.288 4.584 -2.860
314 HG22 ILE 47 2HG2 ILE 47 11.970 4.037 -3.895
315 HG23 ILE 47 3HG2 ILE 47 12.343 3.153 -2.420
316 HD11 ILE 47 3HD1 ILE 47 11.644 5.998 -4.747
317 HD12 ILE 47 1HD1 ILE 47 10.882 7.558 -4.483
318 HD13 ILE 47 2HD1 ILE 47 9.934 6.074 -4.332
319 H CYS 48 H CYS 48 9.558 2.039 -2.888
320 HA CYS 48 HA CYS 48 9.410 0.860 -0.256
321 HB2 CYS 48 2HB CYS 48 8.942 -1.171 -1.331
322 HB3 CYS 48 1HB CYS 48 8.109 0.024 -2.304
323 H ILE 49 H ILE 49 10.935 -1.238 0.075
324 HA ILE 49 HA ILE 49 13.517 -0.241 0.118
325 HB ILE 49 HB ILE 49 14.116 -2.284 1.184
326 HG12 ILE 49 2HG1 ILE 49 12.257 -3.600 1.868
327 HG13 ILE 49 1HG1 ILE 49 11.328 -3.168 0.444
328 HG21 ILE 49 1HG2 ILE 49 11.512 -1.131 1.895
329 HG22 ILE 49 2HG2 ILE 49 13.099 -0.487 2.401
330 HG23 ILE 49 3HG2 ILE 49 12.482 -2.027 3.066
331 HD11 ILE 49 3HD1 ILE 49 13.945 -4.729 0.572
332 HD12 ILE 49 1HD1 ILE 49 13.275 -4.126 -0.949
333 HD13 ILE 49 2HD1 ILE 49 12.397 -5.334 -0.012
334 H ASN 50 H ASN 50 11.819 -2.105 -1.990
335 HA ASN 50 HA ASN 50 13.973 -3.488 -3.329
336 HB2 ASN 50 2HB ASN 50 11.189 -2.916 -4.393
337 HB3 ASN 50 1HB ASN 50 12.355 -4.002 -5.133
338 HD21 ASN 50 1HD2 ASN 50 12.779 -5.982 -4.153
339 HD22 ASN 50 2HD2 ASN 50 11.713 -6.657 -2.979
340 H CYS 51 H CYS 51 12.680 -0.331 -3.568
341 HA CYS 51 HA CYS 51 14.165 0.164 -6.054
342 HB2 CYS 51 2HB CYS 51 11.933 1.779 -4.768
343 HB3 CYS 51 1HB CYS 51 12.780 2.253 -6.235
344 H ALA 52 H ALA 52 14.611 0.309 -2.840
345 HA ALA 52 HA ALA 52 15.777 2.906 -2.523
346 HB1 ALA 52 3HB ALA 52 16.591 2.037 -0.380
347 HB2 ALA 52 1HB ALA 52 16.112 0.412 -0.865
348 HB3 ALA 52 2HB ALA 52 14.880 1.653 -0.613
349 HA ALA 301 HA ALA 301 3.323 9.650 -4.206
350 HB1 ALA 301 2HB ALA 301 2.487 8.414 -1.573
351 HB2 ALA 301 3HB ALA 301 4.162 8.711 -2.051
352 HB3 ALA 301 1HB ALA 301 3.164 7.565 -2.950
353 H ARG 302 H ARG 302 1.805 7.479 -4.235
354 HA ARG 302 HA ARG 302 -0.898 8.504 -4.794
355 HB2 ARG 302 2HB ARG 302 0.719 6.324 -6.113
356 HB3 ARG 302 1HB ARG 302 -0.959 6.675 -6.510
357 HG2 ARG 302 2HG ARG 302 -0.365 8.847 -7.337
358 HG3 ARG 302 1HG ARG 302 1.276 8.679 -6.734
359 HD2 ARG 302 2HD ARG 302 0.043 6.933 -8.878
360 HD3 ARG 302 1HD ARG 302 1.075 8.326 -9.186
361 HE ARG 302 HE ARG 302 2.309 6.427 -7.441
362 HH11 ARG 302 1HH1 ARG 302 1.779 7.261 -10.840
363 HH12 ARG 302 2HH1 ARG 302 3.092 6.357 -11.429
364 HH21 ARG 302 1HH2 ARG 302 4.125 5.129 -8.249
365 HH22 ARG 302 2HH2 ARG 302 4.440 5.101 -9.895
366 H THR 303 H THR 303 -2.533 7.589 -3.613
367 HA THR 303 HA THR 303 -2.049 4.995 -2.337
368 HB THR 303 HB THR 303 -3.250 5.971 -0.311
369 HG1 THR 303 1HG THR 303 -2.590 8.434 -0.389
370 HG21 THR 303 3HG2 THR 303 -0.538 7.071 -1.037
371 HG22 THR 303 1HG2 THR 303 -0.871 5.488 -0.331
372 HG23 THR 303 2HG2 THR 303 -1.188 6.967 0.608
373 H M3L 304 H M3L 304 -4.143 4.120 -1.378
374 HA M3L 304 HA M3L 304 -6.673 5.121 -2.365
375 HB2 M3L 304 1HB M3L 304 -6.016 3.894 -4.437
376 HB3 M3L 304 2HB M3L 304 -7.304 3.047 -3.547
377 HG2 M3L 304 1HG M3L 304 -5.697 1.657 -2.508
378 HG3 M3L 304 2HG M3L 304 -4.458 2.304 -3.603
379 HD2 M3L 304 1HD M3L 304 -6.932 0.778 -4.408
380 HD3 M3L 304 2HD M3L 304 -5.245 0.210 -4.443
381 HE2 M3L 304 1HE M3L 304 -4.698 1.948 -6.013
382 HE3 M3L 304 2HE M3L 304 -6.414 2.360 -6.071
383 HM11 M3L 304 1HM1 M3L 304 -5.136 -1.481 -7.474
384 HM12 M3L 304 2HM1 M3L 304 -5.256 -1.234 -5.795
385 HM13 M3L 304 3HM1 M3L 304 -3.998 -0.436 -6.698
386 HM21 M3L 304 1HM2 M3L 304 -5.361 0.347 -9.055
387 HM22 M3L 304 2HM2 M3L 304 -4.662 1.674 -8.165
388 HM23 M3L 304 3HM2 M3L 304 -6.323 1.744 -8.634
389 HM31 M3L 304 3HM3 M3L 304 -7.974 0.613 -6.398
390 HM32 M3L 304 1HM3 M3L 304 -7.414 -1.002 -6.628
391 HM33 M3L 304 2HM3 M3L 304 -7.755 -0.000 -7.988
392 H GLN 305 H GLN 305 -8.383 3.384 -1.952
393 HA GLN 305 HA GLN 305 -7.799 1.439 0.110
394 HB2 GLN 305 2HB GLN 305 -9.945 3.554 0.478
395 HB3 GLN 305 1HB GLN 305 -9.829 2.090 1.439
396 HG2 GLN 305 2HG GLN 305 -7.666 2.802 2.242
397 HG3 GLN 305 1HG GLN 305 -7.793 4.275 1.284
398 HE21 GLN 305 1HE2 GLN 305 -8.777 2.584 4.081
399 HE22 GLN 305 2HE2 GLN 305 -9.627 3.834 4.881
400 H THR 306 H THR 306 -8.752 -0.373 -0.473
401 HA THR 306 HA THR 306 -10.830 -0.198 -2.519
402 HB THR 306 HB THR 306 -10.381 -2.614 -2.874
403 HG1 THR 306 1HG THR 306 -9.639 -2.847 -0.637
404 HG21 THR 306 3HG2 THR 306 -8.120 -2.323 -3.870
405 HG22 THR 306 1HG2 THR 306 -7.893 -0.879 -2.892
406 HG23 THR 306 2HG2 THR 306 -9.116 -0.896 -4.173
407 H ALA 307 H ALA 307 -12.891 -0.805 -2.097
408 HA ALA 307 HA ALA 307 -13.469 -1.683 0.619
409 HB1 ALA 307 1HB ALA 307 -15.771 -0.914 0.184
410 HB2 ALA 307 2HB ALA 307 -15.304 -0.435 -1.458
411 HB3 ALA 307 3HB ALA 307 -14.599 0.371 -0.052
412 H ARG 308 H ARG 308 -13.849 -3.658 0.932
413 HA ARG 308 HA ARG 308 -14.548 -5.489 -1.257
414 HB2 ARG 308 2HB ARG 308 -13.835 -6.014 1.632
415 HB3 ARG 308 1HB ARG 308 -14.194 -7.272 0.452
416 HG2 ARG 308 2HG ARG 308 -11.933 -5.287 0.249
417 HG3 ARG 308 1HG ARG 308 -11.782 -6.936 0.856
418 HD2 ARG 308 2HD ARG 308 -12.696 -6.173 -1.926
419 HD3 ARG 308 1HD ARG 308 -11.073 -6.727 -1.493
420 HE ARG 308 HE ARG 308 -13.064 -8.533 -0.630
421 HH11 ARG 308 1HH1 ARG 308 -11.270 -7.573 -3.591
422 HH12 ARG 308 2HH1 ARG 308 -11.417 -9.106 -4.306
423 HH21 ARG 308 1HH2 ARG 308 -13.247 -10.675 -1.746
424 HH22 ARG 308 2HH2 ARG 308 -12.550 -10.813 -3.271
425 H LYS 309 H LYS 309 -15.942 -4.186 1.707
426 HA LYS 309 HA LYS 309 -18.534 -5.311 0.875
427 HB2 LYS 309 2HB LYS 309 -17.486 -5.254 3.718
428 HB3 LYS 309 1HB LYS 309 -19.148 -5.634 3.268
429 HG2 LYS 309 2HG LYS 309 -18.335 -7.573 1.982
430 HG3 LYS 309 1HG LYS 309 -16.699 -7.171 2.463
431 HD2 LYS 309 2HD LYS 309 -17.236 -7.538 4.774
432 HD3 LYS 309 1HD LYS 309 -18.932 -7.846 4.383
433 HE2 LYS 309 2HE LYS 309 -18.235 -9.775 3.010
434 HE3 LYS 309 1HE LYS 309 -16.561 -9.483 3.453
435 HZ1 LYS 309 3HZ LYS 309 -18.719 -10.102 5.395
436 HZ2 LYS 309 1HZ LYS 309 -17.089 -9.976 5.749
437 HZ3 LYS 309 2HZ LYS 309 -17.666 -11.248 4.796
Start of MODEL 12
1 HA SER 1 HA SER 1 -6.538 -8.895 -3.259
2 HB2 SER 1 2HB SER 1 -7.175 -6.632 -1.341
3 HB3 SER 1 1HB SER 1 -6.586 -6.441 -2.992
4 HG SER 1 HG SER 1 -8.806 -8.016 -2.614
5 H VAL 2 H VAL 2 -4.429 -9.266 -3.393
6 HA VAL 2 HA VAL 2 -2.750 -8.742 -1.050
7 HB VAL 2 HB VAL 2 -2.027 -10.403 -3.463
8 HG11 VAL 2 1HG1 VAL 2 -0.856 -10.347 -0.680
9 HG12 VAL 2 2HG1 VAL 2 -0.137 -9.715 -2.146
10 HG13 VAL 2 3HG1 VAL 2 -0.383 -11.454 -1.970
11 HG21 VAL 2 3HG2 VAL 2 -3.250 -11.465 -0.918
12 HG22 VAL 2 1HG2 VAL 2 -2.610 -12.424 -2.242
13 HG23 VAL 2 2HG2 VAL 2 -4.041 -11.412 -2.484
14 H CYS 3 H CYS 3 -0.892 -7.534 -1.391
15 HA CYS 3 HA CYS 3 -0.807 -5.961 -3.865
16 HB2 CYS 3 2HB CYS 3 0.042 -4.210 -2.574
17 HB3 CYS 3 1HB CYS 3 -1.027 -4.991 -1.414
18 H ALA 4 H ALA 4 1.613 -5.317 -4.121
19 HA ALA 4 HA ALA 4 3.127 -7.873 -3.731
20 HB1 ALA 4 1HB ALA 4 4.594 -7.330 -5.530
21 HB2 ALA 4 2HB ALA 4 3.806 -5.746 -5.644
22 HB3 ALA 4 3HB ALA 4 2.894 -7.214 -6.073
23 H ALA 5 H ALA 5 3.245 -6.323 -1.548
24 HA ALA 5 HA ALA 5 6.009 -5.641 -1.414
25 HB1 ALA 5 1HB ALA 5 4.317 -4.519 -0.013
26 HB2 ALA 5 2HB ALA 5 5.634 -5.174 0.920
27 HB3 ALA 5 3HB ALA 5 4.083 -5.996 0.916
28 H GLN 6 H GLN 6 7.704 -6.771 -0.630
29 HA GLN 6 HA GLN 6 8.087 -9.403 -0.935
30 HB2 GLN 6 2HB GLN 6 9.860 -7.770 -0.539
31 HB3 GLN 6 1HB GLN 6 9.378 -7.670 1.154
32 HG2 GLN 6 2HG GLN 6 11.355 -9.034 0.912
33 HG3 GLN 6 1HG GLN 6 10.001 -10.018 1.458
34 HE21 GLN 6 1HE2 GLN 6 9.112 -11.563 0.032
35 HE22 GLN 6 2HE2 GLN 6 9.957 -12.027 -1.395
36 H ASN 7 H ASN 7 7.370 -8.019 2.223
37 HA ASN 7 HA ASN 7 6.383 -10.715 2.924
38 HB2 ASN 7 2HB ASN 7 8.483 -10.203 4.169
39 HB3 ASN 7 1HB ASN 7 7.687 -8.829 4.918
40 HD21 ASN 7 1HD2 ASN 7 6.217 -9.179 6.556
41 HD22 ASN 7 2HD2 ASN 7 6.061 -10.725 7.323
42 H CYS 8 H CYS 8 4.454 -10.007 2.046
43 HA CYS 8 HA CYS 8 3.037 -8.060 3.619
44 HB2 CYS 8 2HB CYS 8 2.953 -7.685 1.209
45 HB3 CYS 8 1HB CYS 8 2.384 -9.316 0.968
46 H GLN 9 H GLN 9 1.308 -8.412 4.413
47 HA GLN 9 HA GLN 9 0.048 -11.092 4.607
48 HB2 GLN 9 2HB GLN 9 -0.022 -9.019 6.823
49 HB3 GLN 9 1HB GLN 9 -1.103 -10.406 6.773
50 HG2 GLN 9 2HG GLN 9 1.910 -10.519 6.896
51 HG3 GLN 9 1HG GLN 9 0.792 -10.835 8.222
52 HE21 GLN 9 1HE2 GLN 9 2.769 -12.586 7.047
53 HE22 GLN 9 2HE2 GLN 9 1.933 -13.990 6.492
54 H ARG 10 H ARG 10 -2.209 -11.347 4.434
55 HA ARG 10 HA ARG 10 -3.322 -9.382 2.686
56 HB2 ARG 10 2HB ARG 10 -4.119 -12.214 3.378
57 HB3 ARG 10 1HB ARG 10 -4.834 -11.223 2.120
58 HG2 ARG 10 2HG ARG 10 -2.696 -11.196 0.916
59 HG3 ARG 10 1HG ARG 10 -1.982 -12.166 2.197
60 HD2 ARG 10 2HD ARG 10 -4.336 -13.042 0.534
61 HD3 ARG 10 1HD ARG 10 -2.659 -13.492 0.198
62 HE ARG 10 HE ARG 10 -3.003 -14.282 2.745
63 HH11 ARG 10 1HH1 ARG 10 -4.948 -14.845 -0.173
64 HH12 ARG 10 2HH1 ARG 10 -5.484 -16.379 0.320
65 HH21 ARG 10 1HH2 ARG 10 -3.725 -16.422 3.378
66 HH22 ARG 10 2HH2 ARG 10 -4.768 -17.293 2.368
67 HA PRO 11 HA PRO 11 -5.719 -8.466 6.440
68 HB2 PRO 11 2HB PRO 11 -6.733 -6.084 5.513
69 HB3 PRO 11 1HB PRO 11 -5.173 -6.229 6.319
70 HG2 PRO 11 2HG PRO 11 -5.808 -5.942 3.433
71 HG3 PRO 11 1HG PRO 11 -4.408 -5.352 4.349
72 HD2 PRO 11 2HD PRO 11 -4.361 -7.594 2.676
73 HD3 PRO 11 1HD PRO 11 -3.245 -7.286 4.000
74 H CYS 12 H CYS 12 -6.876 -7.678 3.202
75 HA CYS 12 HA CYS 12 -8.732 -7.995 2.032
76 HB2 CYS 12 2HB CYS 12 -8.977 -10.483 3.744
77 HB3 CYS 12 1HB CYS 12 -9.846 -10.202 2.244
78 HG CYS 12 HG CYS 12 -7.753 -12.027 1.872
79 H LYS 13 H LYS 13 -8.976 -6.652 4.790
80 HA LYS 13 HA LYS 13 -11.691 -7.011 5.600
81 HB2 LYS 13 2HB LYS 13 -9.807 -4.679 6.098
82 HB3 LYS 13 1HB LYS 13 -11.349 -4.912 6.881
83 HG2 LYS 13 2HG LYS 13 -10.520 -6.984 7.866
84 HG3 LYS 13 1HG LYS 13 -8.949 -6.662 7.137
85 HD2 LYS 13 2HD LYS 13 -8.666 -4.650 8.353
86 HD3 LYS 13 1HD LYS 13 -10.334 -4.684 8.932
87 HE2 LYS 13 2HE LYS 13 -9.890 -6.717 10.098
88 HE3 LYS 13 1HE LYS 13 -8.187 -6.677 9.616
89 HZ1 LYS 13 3HZ LYS 13 -9.596 -4.655 11.311
90 HZ2 LYS 13 1HZ LYS 13 -7.995 -4.517 10.838
91 HZ3 LYS 13 2HZ LYS 13 -8.476 -5.743 11.858
92 H ASP 14 H ASP 14 -13.060 -4.779 5.675
93 HA ASP 14 HA ASP 14 -13.942 -4.446 3.053
94 HB2 ASP 14 2HB ASP 14 -14.543 -2.786 5.513
95 HB3 ASP 14 1HB ASP 14 -15.422 -2.658 3.999
96 H LYS 15 H LYS 15 -12.781 -1.700 5.098
97 HA LYS 15 HA LYS 15 -11.719 -0.671 2.650
98 HB2 LYS 15 2HB LYS 15 -12.307 0.662 5.264
99 HB3 LYS 15 1HB LYS 15 -11.328 1.437 4.029
100 HG2 LYS 15 2HG LYS 15 -13.208 1.238 2.423
101 HG3 LYS 15 1HG LYS 15 -14.163 0.464 3.684
102 HD2 LYS 15 2HD LYS 15 -13.010 3.224 3.972
103 HD3 LYS 15 1HD LYS 15 -14.597 2.939 3.257
104 HE2 LYS 15 2HE LYS 15 -13.788 1.894 5.907
105 HE3 LYS 15 1HE LYS 15 -14.582 3.471 5.756
106 HZ1 LYS 15 3HZ LYS 15 -16.464 2.397 4.786
107 HZ2 LYS 15 1HZ LYS 15 -16.159 1.651 6.259
108 HZ3 LYS 15 2HZ LYS 15 -15.749 0.898 4.772
109 H VAL 16 H VAL 16 -9.984 -1.769 2.262
110 HA VAL 16 HA VAL 16 -7.781 -1.519 4.156
111 HB VAL 16 HB VAL 16 -6.535 -3.110 2.690
112 HG11 VAL 16 1HG1 VAL 16 -7.804 -3.947 4.583
113 HG12 VAL 16 2HG1 VAL 16 -7.864 -5.113 3.252
114 HG13 VAL 16 3HG1 VAL 16 -9.244 -4.079 3.585
115 HG21 VAL 16 3HG2 VAL 16 -7.806 -4.374 0.946
116 HG22 VAL 16 1HG2 VAL 16 -7.570 -2.663 0.541
117 HG23 VAL 16 2HG2 VAL 16 -9.134 -3.243 1.140
118 H ASP 17 H ASP 17 -5.778 -0.637 3.489
119 HA ASP 17 HA ASP 17 -6.242 1.507 1.530
120 HB2 ASP 17 2HB ASP 17 -5.798 1.972 4.092
121 HB3 ASP 17 1HB ASP 17 -4.129 1.633 3.656
122 H TRP 18 H TRP 18 -4.407 2.198 0.326
123 HA TRP 18 HA TRP 18 -2.384 0.072 -0.220
124 HB2 TRP 18 2HB TRP 18 -3.900 1.613 -2.276
125 HB3 TRP 18 1HB TRP 18 -2.727 0.398 -2.639
126 HD1 TRP 18 HD TRP 18 -6.147 0.470 -0.714
127 HE1 TRP 18 1HE TRP 18 -7.466 -1.621 -1.378
128 HE3 TRP 18 3HE TRP 18 -2.799 -1.545 -3.851
129 HZ2 TRP 18 2HZ TRP 18 -7.141 -3.811 -3.075
130 HZ3 TRP 18 3HZ TRP 18 -3.327 -3.640 -5.041
131 HH2 TRP 18 HH TRP 18 -5.446 -4.743 -4.703
132 H VAL 19 H VAL 19 -0.405 0.901 -1.622
133 HA VAL 19 HA VAL 19 0.006 3.794 -1.535
134 HB VAL 19 HB VAL 19 2.154 1.845 -1.071
135 HG11 VAL 19 1HG1 VAL 19 1.910 4.720 -0.317
136 HG12 VAL 19 2HG1 VAL 19 2.857 4.016 -1.625
137 HG13 VAL 19 3HG1 VAL 19 3.306 3.703 0.046
138 HG21 VAL 19 3HG2 VAL 19 2.169 2.018 1.239
139 HG22 VAL 19 1HG2 VAL 19 0.680 1.261 0.712
140 HG23 VAL 19 2HG2 VAL 19 0.637 2.957 1.290
141 H GLN 20 H GLN 20 0.974 4.357 -3.417
142 HA GLN 20 HA GLN 20 2.052 2.270 -5.187
143 HB2 GLN 20 2HB GLN 20 0.765 4.771 -5.642
144 HB3 GLN 20 1HB GLN 20 2.357 4.844 -6.361
145 HG2 GLN 20 2HG GLN 20 0.191 2.830 -6.937
146 HG3 GLN 20 1HG GLN 20 0.763 4.157 -7.947
147 HE21 GLN 20 1HE2 GLN 20 0.604 1.297 -8.488
148 HE22 GLN 20 2HE2 GLN 20 2.217 0.863 -8.950
149 H CYS 21 H CYS 21 4.210 2.161 -5.677
150 HA CYS 21 HA CYS 21 6.055 3.736 -4.060
151 HB2 CYS 21 2HB CYS 21 6.359 1.177 -4.726
152 HB3 CYS 21 1HB CYS 21 6.733 1.838 -6.271
153 H ASP 22 H ASP 22 6.909 5.600 -4.841
154 HA ASP 22 HA ASP 22 6.499 6.299 -7.647
155 HB2 ASP 22 2HB ASP 22 7.659 7.894 -5.353
156 HB3 ASP 22 1HB ASP 22 7.523 8.525 -6.988
157 H GLY 23 H GLY 23 8.423 4.152 -6.705
158 HA2 GLY 23 2HA GLY 23 10.938 5.247 -7.653
159 HA3 GLY 23 1HA GLY 23 10.694 3.783 -6.681
160 H GLY 24 H GLY 24 11.838 2.384 -8.426
161 HA2 GLY 24 2HA GLY 24 10.638 2.546 -10.962
162 HA3 GLY 24 1HA GLY 24 12.023 1.627 -10.446
163 H CYS 25 H CYS 25 9.937 0.675 -8.145
164 HA CYS 25 HA CYS 25 9.297 -1.627 -9.789
165 HB2 CYS 25 2HB CYS 25 8.443 -2.832 -7.894
166 HB3 CYS 25 1HB CYS 25 9.882 -1.999 -7.392
167 H ASP 26 H ASP 26 7.641 1.238 -9.127
168 HA ASP 26 HA ASP 26 5.463 1.870 -9.066
169 HB2 ASP 26 2HB ASP 26 4.550 1.906 -11.373
170 HB3 ASP 26 1HB ASP 26 6.221 2.396 -11.265
171 H GLU 27 H GLU 27 5.305 -0.456 -7.695
172 HA GLU 27 HA GLU 27 2.751 -1.457 -8.633
173 HB2 GLU 27 2HB GLU 27 4.837 -2.900 -7.044
174 HB3 GLU 27 1HB GLU 27 3.192 -3.477 -7.190
175 HG2 GLU 27 2HG GLU 27 3.483 -3.521 -9.659
176 HG3 GLU 27 1HG GLU 27 5.162 -3.056 -9.431
177 H TRP 28 H TRP 28 1.392 -2.367 -6.788
178 HA TRP 28 HA TRP 28 1.123 -0.162 -4.886
179 HB2 TRP 28 2HB TRP 28 -0.945 -2.170 -5.793
180 HB3 TRP 28 1HB TRP 28 -1.165 -0.982 -4.514
181 HD1 TRP 28 HD TRP 28 -1.009 -1.209 -8.341
182 HE1 TRP 28 1HE TRP 28 -1.874 1.027 -9.322
183 HE3 TRP 28 3HE TRP 28 -1.414 1.534 -4.040
184 HZ2 TRP 28 2HZ TRP 28 -2.615 3.546 -8.424
185 HZ3 TRP 28 3HZ TRP 28 -2.244 3.843 -4.227
186 HH2 TRP 28 HH TRP 28 -2.837 4.795 -6.357
187 H PHE 29 H PHE 29 1.133 -0.424 -2.823
188 HA PHE 29 HA PHE 29 1.509 -3.119 -1.583
189 HB2 PHE 29 2HB PHE 29 2.447 -0.545 -0.425
190 HB3 PHE 29 1HB PHE 29 2.945 -2.182 -0.032
191 HD1 PHE 29 2HD PHE 29 4.103 -3.425 -2.135
192 HD2 PHE 29 1HD PHE 29 3.846 0.795 -1.523
193 HE1 PHE 29 2HE PHE 29 6.074 -3.075 -3.557
194 HE2 PHE 29 1HE PHE 29 5.750 1.125 -2.868
195 HZ PHE 29 HZ PHE 29 6.906 -0.750 -3.923
196 H HIS 30 H HIS 30 1.017 -3.014 0.832
197 HA HIS 30 HA HIS 30 -1.287 -1.213 1.344
198 HB2 HIS 30 2HB HIS 30 -0.319 -3.544 3.047
199 HB3 HIS 30 1HB HIS 30 -1.726 -2.553 3.365
200 HD2 HIS 30 2HD HIS 30 -4.028 -3.325 1.943
201 HE1 HIS 30 1HE HIS 30 -2.314 -7.011 0.650
202 HE2 HIS 30 2HE HIS 30 -4.385 -5.536 0.604
203 H GLN 31 H GLN 31 -1.006 0.330 2.982
204 HA GLN 31 HA GLN 31 1.348 1.540 3.562
205 HB2 GLN 31 2HB GLN 31 -0.959 1.217 5.460
206 HB3 GLN 31 1HB GLN 31 0.236 2.515 5.435
207 HG2 GLN 31 2HG GLN 31 -1.117 1.968 3.031
208 HG3 GLN 31 1HG GLN 31 -2.227 2.723 4.217
209 HE21 GLN 31 1HE2 GLN 31 -1.840 3.841 1.839
210 HE22 GLN 31 2HE2 GLN 31 -0.760 5.176 1.905
211 H VAL 32 H VAL 32 -0.257 -0.956 5.662
212 HA VAL 32 HA VAL 32 1.692 -0.764 7.671
213 HB VAL 32 HB VAL 32 0.511 -2.593 8.748
214 HG11 VAL 32 1HG1 VAL 32 -1.683 -1.517 8.988
215 HG12 VAL 32 2HG1 VAL 32 -1.367 -0.572 7.545
216 HG13 VAL 32 3HG1 VAL 32 -0.369 -0.337 8.983
217 HG21 VAL 32 3HG2 VAL 32 -1.180 -2.708 6.263
218 HG22 VAL 32 1HG2 VAL 32 -1.451 -3.657 7.723
219 HG23 VAL 32 2HG2 VAL 32 -0.008 -3.939 6.745
220 H CYS 33 H CYS 33 1.488 -2.768 4.789
221 HA CYS 33 HA CYS 33 3.110 -4.864 5.988
222 HB2 CYS 33 2HB CYS 33 2.756 -6.062 3.803
223 HB3 CYS 33 1HB CYS 33 1.217 -5.491 4.447
224 H VAL 34 H VAL 34 3.543 -2.021 3.953
225 HA VAL 34 HA VAL 34 6.163 -2.928 3.221
226 HB VAL 34 HB VAL 34 4.491 -2.246 1.450
227 HG11 VAL 34 1HG1 VAL 34 3.974 0.037 1.085
228 HG12 VAL 34 2HG1 VAL 34 4.791 0.459 2.570
229 HG13 VAL 34 3HG1 VAL 34 3.293 -0.471 2.630
230 HG21 VAL 34 3HG2 VAL 34 6.801 -2.214 1.109
231 HG22 VAL 34 1HG2 VAL 34 6.871 -0.552 1.731
232 HG23 VAL 34 2HG2 VAL 34 5.964 -0.909 0.211
233 H GLY 35 H GLY 35 5.056 -1.693 5.850
234 HA2 GLY 35 2HA GLY 35 5.712 -0.198 7.466
235 HA3 GLY 35 1HA GLY 35 7.255 -0.227 6.650
236 H VAL 36 H VAL 36 4.129 1.130 5.604
237 HA VAL 36 HA VAL 36 5.437 3.746 5.232
238 HB VAL 36 HB VAL 36 2.575 2.932 4.541
239 HG11 VAL 36 1HG1 VAL 36 2.408 4.712 3.274
240 HG12 VAL 36 2HG1 VAL 36 4.100 5.136 3.337
241 HG13 VAL 36 3HG1 VAL 36 3.038 5.394 4.792
242 HG21 VAL 36 3HG2 VAL 36 3.607 1.747 2.971
243 HG22 VAL 36 1HG2 VAL 36 4.984 2.922 2.810
244 HG23 VAL 36 2HG2 VAL 36 3.406 3.398 2.319
245 H SER 37 H SER 37 4.512 5.716 6.490
246 HA SER 37 HA SER 37 2.554 4.968 8.393
247 HB2 SER 37 2HB SER 37 4.611 7.205 8.221
248 HB3 SER 37 1HB SER 37 3.450 7.019 9.536
249 HG SER 37 HG SER 37 4.542 4.746 9.434
250 HA PRO 38 HA PRO 38 -0.529 6.935 5.820
251 HB2 PRO 38 2HB PRO 38 -0.908 8.647 8.246
252 HB3 PRO 38 1HB PRO 38 -2.134 7.867 7.243
253 HG2 PRO 38 2HG PRO 38 -1.421 6.778 9.571
254 HG3 PRO 38 1HG PRO 38 -1.738 5.752 8.177
255 HD2 PRO 38 2HD PRO 38 0.812 6.436 9.497
256 HD3 PRO 38 1HD PRO 38 0.402 5.014 8.532
257 H GLU 39 H GLU 39 1.100 9.298 7.866
258 HA GLU 39 HA GLU 39 0.657 11.509 6.157
259 HB2 GLU 39 2HB GLU 39 1.207 11.851 8.495
260 HB3 GLU 39 1HB GLU 39 2.813 11.169 8.250
261 HG2 GLU 39 2HG GLU 39 3.369 13.060 6.793
262 HG3 GLU 39 1HG GLU 39 1.749 13.706 7.011
263 H MET 40 H MET 40 3.065 9.057 6.078
264 HA MET 40 HA MET 40 5.036 10.594 4.600
265 HB2 MET 40 2HB MET 40 4.849 7.611 5.080
266 HB3 MET 40 1HB MET 40 6.184 8.404 4.245
267 HG2 MET 40 2HG MET 40 6.720 9.630 6.304
268 HG3 MET 40 1HG MET 40 5.358 8.823 7.088
269 HE1 MET 40 3HE MET 40 8.468 8.811 8.159
270 HE2 MET 40 1HE MET 40 8.533 7.147 8.729
271 HE3 MET 40 2HE MET 40 7.088 8.131 9.017
272 H ALA 41 H ALA 41 2.763 7.947 3.782
273 HA ALA 41 HA ALA 41 3.420 8.042 0.992
274 HB1 ALA 41 1HB ALA 41 1.174 6.857 2.478
275 HB2 ALA 41 2HB ALA 41 2.648 5.978 1.908
276 HB3 ALA 41 3HB ALA 41 1.451 6.616 0.771
277 H GLU 42 H GLU 42 1.020 9.693 2.966
278 HA GLU 42 HA GLU 42 -0.525 10.275 0.611
279 HB2 GLU 42 2HB GLU 42 -0.781 11.044 3.492
280 HB3 GLU 42 1HB GLU 42 -1.929 11.604 2.261
281 HG2 GLU 42 2HG GLU 42 -2.535 9.265 1.846
282 HG3 GLU 42 1HG GLU 42 -1.371 8.742 3.063
283 H ASN 43 H ASN 43 1.956 11.579 2.377
284 HA ASN 43 HA ASN 43 1.600 14.208 1.116
285 HB2 ASN 43 2HB ASN 43 3.248 13.454 3.456
286 HB3 ASN 43 1HB ASN 43 3.521 14.947 2.596
287 HD21 ASN 43 1HD2 ASN 43 1.398 13.174 4.598
288 HD22 ASN 43 2HD2 ASN 43 0.333 14.497 5.003
289 H GLU 44 H GLU 44 4.192 11.847 1.196
290 HA GLU 44 HA GLU 44 5.362 13.445 -0.940
291 HB2 GLU 44 2HB GLU 44 7.042 12.320 1.307
292 HB3 GLU 44 1HB GLU 44 7.643 13.170 -0.119
293 HG2 GLU 44 2HG GLU 44 6.300 15.143 0.576
294 HG3 GLU 44 1HG GLU 44 5.948 14.314 2.084
295 H ASP 45 H ASP 45 7.068 12.246 -2.250
296 HA ASP 45 HA ASP 45 5.902 9.954 -3.223
297 HB2 ASP 45 2HB ASP 45 7.926 9.742 -4.621
298 HB3 ASP 45 1HB ASP 45 7.342 11.389 -4.563
299 H TYR 46 H TYR 46 6.074 7.924 -2.813
300 HA TYR 46 HA TYR 46 7.884 7.273 -0.629
301 HB2 TYR 46 2HB TYR 46 5.640 7.078 0.184
302 HB3 TYR 46 1HB TYR 46 5.204 5.993 -1.158
303 HD1 TYR 46 2HD TYR 46 7.557 6.283 1.741
304 HD2 TYR 46 1HD TYR 46 5.378 3.867 -0.868
305 HE1 TYR 46 2HE TYR 46 8.330 4.334 3.006
306 HE2 TYR 46 1HE TYR 46 6.143 1.797 0.343
307 HH TYR 46 HH TYR 46 7.559 1.922 3.381
308 H ILE 47 H ILE 47 9.000 5.906 -0.642
309 HA ILE 47 HA ILE 47 9.550 4.175 -3.051
310 HB ILE 47 HB ILE 47 11.700 5.294 -1.206
311 HG12 ILE 47 2HG1 ILE 47 10.697 7.090 -2.564
312 HG13 ILE 47 1HG1 ILE 47 12.353 6.757 -3.071
313 HG21 ILE 47 1HG2 ILE 47 12.306 3.148 -2.204
314 HG22 ILE 47 2HG2 ILE 47 13.296 4.446 -2.877
315 HG23 ILE 47 3HG2 ILE 47 11.955 3.785 -3.810
316 HD11 ILE 47 3HD1 ILE 47 11.498 5.501 -4.977
317 HD12 ILE 47 1HD1 ILE 47 10.881 7.149 -4.966
318 HD13 ILE 47 2HD1 ILE 47 9.847 5.834 -4.437
319 H CYS 48 H CYS 48 9.286 2.176 -2.657
320 HA CYS 48 HA CYS 48 8.995 1.132 -0.004
321 HB2 CYS 48 2HB CYS 48 8.546 -0.954 -0.969
322 HB3 CYS 48 1HB CYS 48 7.866 0.199 -2.108
323 H ILE 49 H ILE 49 10.312 -0.921 0.666
324 HA ILE 49 HA ILE 49 12.910 -0.068 0.945
325 HB ILE 49 HB ILE 49 13.213 -2.089 2.243
326 HG12 ILE 49 2HG1 ILE 49 11.206 -3.108 2.891
327 HG13 ILE 49 1HG1 ILE 49 10.347 -2.614 1.440
328 HG21 ILE 49 1HG2 ILE 49 11.557 -1.353 3.921
329 HG22 ILE 49 2HG2 ILE 49 10.766 -0.546 2.522
330 HG23 ILE 49 3HG2 ILE 49 12.337 0.028 3.063
331 HD11 ILE 49 3HD1 ILE 49 12.105 -3.886 0.124
332 HD12 ILE 49 1HD1 ILE 49 11.081 -4.921 1.113
333 HD13 ILE 49 2HD1 ILE 49 12.705 -4.518 1.659
334 H ASN 50 H ASN 50 11.453 -1.971 -1.226
335 HA ASN 50 HA ASN 50 13.738 -3.513 -2.153
336 HB2 ASN 50 2HB ASN 50 11.103 -3.002 -3.532
337 HB3 ASN 50 1HB ASN 50 12.373 -3.984 -4.231
338 HD21 ASN 50 1HD2 ASN 50 9.678 -4.714 -3.521
339 HD22 ASN 50 2HD2 ASN 50 9.818 -6.017 -2.387
340 H CYS 51 H CYS 51 12.320 -0.487 -3.063
341 HA CYS 51 HA CYS 51 14.201 -0.175 -5.293
342 HB2 CYS 51 2HB CYS 51 11.938 1.668 -4.415
343 HB3 CYS 51 1HB CYS 51 12.924 1.931 -5.840
344 H ALA 52 H ALA 52 14.272 0.257 -2.095
345 HA ALA 52 HA ALA 52 15.495 2.848 -1.904
346 HB1 ALA 52 3HB ALA 52 15.411 0.610 0.115
347 HB2 ALA 52 1HB ALA 52 14.252 1.924 -0.015
348 HB3 ALA 52 2HB ALA 52 15.912 2.268 0.466
349 HA ALA 301 HA ALA 301 3.438 9.471 -4.342
350 HB1 ALA 301 2HB ALA 301 2.802 8.846 -1.461
351 HB2 ALA 301 3HB ALA 301 4.403 8.821 -2.189
352 HB3 ALA 301 1HB ALA 301 3.184 7.665 -2.723
353 H ARG 302 H ARG 302 1.841 7.806 -4.774
354 HA ARG 302 HA ARG 302 -0.845 8.924 -4.490
355 HB2 ARG 302 2HB ARG 302 0.196 7.004 -6.559
356 HB3 ARG 302 1HB ARG 302 -1.498 7.486 -6.389
357 HG2 ARG 302 2HG ARG 302 -0.831 9.809 -6.787
358 HG3 ARG 302 1HG ARG 302 0.828 9.281 -7.047
359 HD2 ARG 302 2HD ARG 302 0.116 7.886 -8.902
360 HD3 ARG 302 1HD ARG 302 -1.561 8.360 -8.636
361 HE ARG 302 HE ARG 302 0.160 10.583 -9.017
362 HH11 ARG 302 1HH1 ARG 302 -1.793 8.135 -10.688
363 HH12 ARG 302 2HH1 ARG 302 -1.878 8.974 -12.167
364 HH21 ARG 302 1HH2 ARG 302 0.029 11.761 -11.056
365 HH22 ARG 302 2HH2 ARG 302 -0.803 11.108 -12.378
366 H THR 303 H THR 303 -2.183 8.037 -3.174
367 HA THR 303 HA THR 303 -1.785 5.256 -2.436
368 HB THR 303 HB THR 303 -3.055 6.019 -0.339
369 HG1 THR 303 1HG THR 303 -2.754 8.313 0.027
370 HG21 THR 303 3HG2 THR 303 -0.682 5.550 -0.386
371 HG22 THR 303 1HG2 THR 303 -0.997 6.927 0.689
372 HG23 THR 303 2HG2 THR 303 -0.343 7.195 -0.940
373 H M3L 304 H M3L 304 -3.949 4.305 -1.629
374 HA M3L 304 HA M3L 304 -6.313 5.530 -2.675
375 HB2 M3L 304 1HB M3L 304 -5.678 4.309 -4.740
376 HB3 M3L 304 2HB M3L 304 -7.076 3.550 -3.918
377 HG2 M3L 304 1HG M3L 304 -5.646 1.954 -2.906
378 HG3 M3L 304 2HG M3L 304 -4.300 2.556 -3.900
379 HD2 M3L 304 1HD M3L 304 -6.846 1.308 -4.917
380 HD3 M3L 304 2HD M3L 304 -5.225 0.578 -4.916
381 HE2 M3L 304 1HE M3L 304 -4.444 2.387 -6.315
382 HE3 M3L 304 2HE M3L 304 -6.127 2.934 -6.390
383 HM11 M3L 304 1HM1 M3L 304 -3.892 -0.016 -7.209
384 HM12 M3L 304 2HM1 M3L 304 -5.081 -0.838 -8.116
385 HM13 M3L 304 3HM1 M3L 304 -5.238 -0.770 -6.408
386 HM21 M3L 304 1HM2 M3L 304 -6.075 2.346 -9.166
387 HM22 M3L 304 2HM2 M3L 304 -4.885 1.118 -9.442
388 HM23 M3L 304 3HM2 M3L 304 -4.503 2.492 -8.453
389 HM31 M3L 304 3HM3 M3L 304 -7.308 -0.313 -7.397
390 HM32 M3L 304 1HM3 M3L 304 -7.584 0.982 -8.511
391 HM33 M3L 304 2HM3 M3L 304 -7.757 1.246 -6.817
392 H GLN 305 H GLN 305 -8.124 4.051 -2.306
393 HA GLN 305 HA GLN 305 -7.769 2.089 -0.244
394 HB2 GLN 305 2HB GLN 305 -8.022 4.424 0.844
395 HB3 GLN 305 1HB GLN 305 -9.656 4.414 0.192
396 HG2 GLN 305 2HG GLN 305 -10.198 2.467 1.487
397 HG3 GLN 305 1HG GLN 305 -8.543 2.370 2.077
398 HE21 GLN 305 1HE2 GLN 305 -7.773 4.032 3.447
399 HE22 GLN 305 2HE2 GLN 305 -8.851 4.923 4.437
400 H THR 306 H THR 306 -8.744 0.520 -1.331
401 HA THR 306 HA THR 306 -10.449 1.065 -3.483
402 HB THR 306 HB THR 306 -10.679 -1.484 -3.548
403 HG1 THR 306 1HG THR 306 -9.845 -2.593 -1.993
404 HG21 THR 306 3HG2 THR 306 -8.321 -1.746 -4.311
405 HG22 THR 306 1HG2 THR 306 -7.892 -0.254 -3.489
406 HG23 THR 306 2HG2 THR 306 -8.982 -0.222 -4.875
407 H ALA 307 H ALA 307 -11.058 -0.104 -0.259
408 HA ALA 307 HA ALA 307 -12.904 -0.410 0.978
409 HB1 ALA 307 1HB ALA 307 -14.736 1.131 0.795
410 HB2 ALA 307 2HB ALA 307 -14.275 1.594 -0.844
411 HB3 ALA 307 3HB ALA 307 -13.240 2.006 0.526
412 H ARG 308 H ARG 308 -13.341 -2.467 0.712
413 HA ARG 308 HA ARG 308 -14.825 -3.477 -1.552
414 HB2 ARG 308 2HB ARG 308 -14.226 -4.897 1.046
415 HB3 ARG 308 1HB ARG 308 -14.559 -5.623 -0.515
416 HG2 ARG 308 2HG ARG 308 -12.379 -4.697 -1.350
417 HG3 ARG 308 1HG ARG 308 -12.101 -4.106 0.285
418 HD2 ARG 308 2HD ARG 308 -10.927 -6.189 0.031
419 HD3 ARG 308 1HD ARG 308 -12.282 -6.434 1.122
420 HE ARG 308 HE ARG 308 -12.916 -7.008 -1.593
421 HH11 ARG 308 1HH1 ARG 308 -11.590 -8.427 1.406
422 HH12 ARG 308 2HH1 ARG 308 -11.746 -10.029 0.838
423 HH21 ARG 308 1HH2 ARG 308 -13.132 -9.216 -2.288
424 HH22 ARG 308 2HH2 ARG 308 -12.642 -10.484 -1.241
425 H LYS 309 H LYS 309 -17.000 -4.281 -1.421
426 HA LYS 309 HA LYS 309 -18.733 -2.823 0.211
427 HB2 LYS 309 2HB LYS 309 -19.374 -3.704 -1.959
428 HB3 LYS 309 1HB LYS 309 -19.177 -5.345 -1.386
429 HG2 LYS 309 2HG LYS 309 -21.067 -5.036 0.115
430 HG3 LYS 309 1HG LYS 309 -21.245 -3.365 -0.451
431 HD2 LYS 309 2HD LYS 309 -21.545 -4.183 -2.728
432 HD3 LYS 309 1HD LYS 309 -21.439 -5.847 -2.171
433 HE2 LYS 309 2HE LYS 309 -23.789 -5.238 -2.439
434 HE3 LYS 309 1HE LYS 309 -23.422 -5.488 -0.747
435 HZ1 LYS 309 3HZ LYS 309 -23.576 -2.852 -2.087
436 HZ2 LYS 309 1HZ LYS 309 -23.306 -3.083 -0.443
437 HZ3 LYS 309 2HZ LYS 309 -24.766 -3.523 -1.157
Start of MODEL 13
1 HA SER 1 HA SER 1 -7.116 -8.505 -0.225
2 HB2 SER 1 2HB SER 1 -6.904 -10.617 -1.618
3 HB3 SER 1 1HB SER 1 -8.359 -9.677 -1.941
4 HG SER 1 HG SER 1 -7.470 -10.229 -3.909
5 H VAL 2 H VAL 2 -4.955 -8.912 -3.018
6 HA VAL 2 HA VAL 2 -2.755 -8.976 -1.085
7 HB VAL 2 HB VAL 2 -2.629 -10.256 -3.826
8 HG11 VAL 2 1HG1 VAL 2 -0.491 -9.827 -2.881
9 HG12 VAL 2 2HG1 VAL 2 -0.754 -11.566 -2.847
10 HG13 VAL 2 3HG1 VAL 2 -0.910 -10.617 -1.372
11 HG21 VAL 2 3HG2 VAL 2 -4.445 -11.361 -2.621
12 HG22 VAL 2 1HG2 VAL 2 -3.364 -11.656 -1.255
13 HG23 VAL 2 2HG2 VAL 2 -3.062 -12.446 -2.790
14 H CYS 3 H CYS 3 -0.868 -7.850 -1.649
15 HA CYS 3 HA CYS 3 -1.026 -6.010 -3.942
16 HB2 CYS 3 2HB CYS 3 -0.102 -4.353 -2.608
17 HB3 CYS 3 1HB CYS 3 -1.212 -5.147 -1.477
18 H ALA 4 H ALA 4 1.437 -5.314 -4.208
19 HA ALA 4 HA ALA 4 2.899 -7.913 -4.075
20 HB1 ALA 4 1HB ALA 4 2.723 -6.976 -6.316
21 HB2 ALA 4 2HB ALA 4 4.410 -7.152 -5.760
22 HB3 ALA 4 3HB ALA 4 3.617 -5.558 -5.726
23 H ALA 5 H ALA 5 2.985 -6.518 -1.717
24 HA ALA 5 HA ALA 5 5.788 -6.037 -1.526
25 HB1 ALA 5 1HB ALA 5 5.379 -5.798 0.927
26 HB2 ALA 5 2HB ALA 5 3.733 -6.380 0.704
27 HB3 ALA 5 3HB ALA 5 4.242 -4.866 -0.028
28 H GLN 6 H GLN 6 7.342 -7.478 -0.909
29 HA GLN 6 HA GLN 6 7.111 -10.203 -1.225
30 HB2 GLN 6 2HB GLN 6 9.119 -8.723 0.449
31 HB3 GLN 6 1HB GLN 6 9.257 -10.421 0.016
32 HG2 GLN 6 2HG GLN 6 9.310 -9.826 -2.343
33 HG3 GLN 6 1HG GLN 6 9.162 -8.116 -1.919
34 HE21 GLN 6 1HE2 GLN 6 11.327 -9.530 -3.328
35 HE22 GLN 6 2HE2 GLN 6 12.748 -9.247 -2.392
36 H ASN 7 H ASN 7 7.025 -8.619 1.944
37 HA ASN 7 HA ASN 7 6.002 -11.173 2.932
38 HB2 ASN 7 2HB ASN 7 8.115 -10.455 3.975
39 HB3 ASN 7 1HB ASN 7 7.355 -8.968 4.499
40 HD21 ASN 7 1HD2 ASN 7 5.866 -9.058 6.233
41 HD22 ASN 7 2HD2 ASN 7 5.756 -10.410 7.297
42 H CYS 8 H CYS 8 3.983 -10.427 1.943
43 HA CYS 8 HA CYS 8 2.735 -8.335 3.454
44 HB2 CYS 8 2HB CYS 8 2.547 -8.084 0.978
45 HB3 CYS 8 1HB CYS 8 1.812 -9.662 0.921
46 H GLN 9 H GLN 9 0.975 -8.551 4.306
47 HA GLN 9 HA GLN 9 -0.343 -11.192 4.723
48 HB2 GLN 9 2HB GLN 9 -0.522 -8.835 6.628
49 HB3 GLN 9 1HB GLN 9 -1.376 -10.356 6.856
50 HG2 GLN 9 2HG GLN 9 0.800 -11.509 6.998
51 HG3 GLN 9 1HG GLN 9 1.605 -9.937 6.897
52 HE21 GLN 9 1HE2 GLN 9 -0.314 -12.087 8.846
53 HE22 GLN 9 2HE2 GLN 9 -0.105 -11.249 10.333
54 H ARG 10 H ARG 10 -2.617 -11.385 4.193
55 HA ARG 10 HA ARG 10 -3.557 -9.235 2.577
56 HB2 ARG 10 2HB ARG 10 -4.564 -12.081 2.936
57 HB3 ARG 10 1HB ARG 10 -5.289 -10.906 1.873
58 HG2 ARG 10 2HG ARG 10 -4.028 -12.358 0.522
59 HG3 ARG 10 1HG ARG 10 -3.117 -10.850 0.606
60 HD2 ARG 10 2HD ARG 10 -1.641 -11.873 2.299
61 HD3 ARG 10 1HD ARG 10 -2.571 -13.364 2.190
62 HE ARG 10 HE ARG 10 -1.351 -12.359 -0.261
63 HH11 ARG 10 1HH1 ARG 10 -1.344 -14.796 2.338
64 HH12 ARG 10 2HH1 ARG 10 -0.236 -15.831 1.560
65 HH21 ARG 10 1HH2 ARG 10 0.194 -13.861 -1.362
66 HH22 ARG 10 2HH2 ARG 10 0.633 -15.280 -0.576
67 HA PRO 11 HA PRO 11 -6.099 -8.286 6.160
68 HB2 PRO 11 2HB PRO 11 -7.018 -5.905 5.224
69 HB3 PRO 11 1HB PRO 11 -5.420 -6.106 5.957
70 HG2 PRO 11 2HG PRO 11 -6.179 -5.860 3.092
71 HG3 PRO 11 1HG PRO 11 -4.726 -5.270 3.898
72 HD2 PRO 11 2HD PRO 11 -4.756 -7.569 2.340
73 HD3 PRO 11 1HD PRO 11 -3.632 -7.214 3.629
74 H CYS 12 H CYS 12 -7.483 -7.218 3.031
75 HA CYS 12 HA CYS 12 -9.415 -7.507 2.006
76 HB2 CYS 12 2HB CYS 12 -9.484 -10.116 3.520
77 HB3 CYS 12 1HB CYS 12 -10.505 -9.740 2.135
78 HG CYS 12 HG CYS 12 -8.139 -11.476 1.754
79 H LYS 13 H LYS 13 -9.357 -6.381 4.778
80 HA LYS 13 HA LYS 13 -11.992 -6.711 5.813
81 HB2 LYS 13 2HB LYS 13 -10.022 -4.433 6.293
82 HB3 LYS 13 1HB LYS 13 -11.494 -4.706 7.202
83 HG2 LYS 13 2HG LYS 13 -10.650 -6.802 8.010
84 HG3 LYS 13 1HG LYS 13 -9.140 -6.534 7.132
85 HD2 LYS 13 2HD LYS 13 -8.706 -4.532 8.427
86 HD3 LYS 13 1HD LYS 13 -10.281 -4.661 9.205
87 HE2 LYS 13 2HE LYS 13 -9.676 -6.722 10.146
88 HE3 LYS 13 1HE LYS 13 -8.060 -6.688 9.416
89 HZ1 LYS 13 3HZ LYS 13 -7.643 -4.622 10.715
90 HZ2 LYS 13 1HZ LYS 13 -7.947 -5.942 11.712
91 HZ3 LYS 13 2HZ LYS 13 -9.146 -4.791 11.466
92 H ASP 14 H ASP 14 -13.206 -4.395 6.095
93 HA ASP 14 HA ASP 14 -14.436 -3.915 3.628
94 HB2 ASP 14 2HB ASP 14 -14.453 -2.207 6.139
95 HB3 ASP 14 1HB ASP 14 -15.576 -2.035 4.800
96 H LYS 15 H LYS 15 -12.621 -1.474 5.531
97 HA LYS 15 HA LYS 15 -11.760 -0.193 3.069
98 HB2 LYS 15 2HB LYS 15 -11.507 0.582 5.971
99 HB3 LYS 15 1HB LYS 15 -11.138 1.610 4.588
100 HG2 LYS 15 2HG LYS 15 -13.410 1.747 3.976
101 HG3 LYS 15 1HG LYS 15 -13.852 0.433 5.056
102 HD2 LYS 15 2HD LYS 15 -13.213 1.864 6.976
103 HD3 LYS 15 1HD LYS 15 -12.901 3.177 5.837
104 HE2 LYS 15 2HE LYS 15 -15.428 1.693 5.935
105 HE3 LYS 15 1HE LYS 15 -15.214 3.126 6.975
106 HZ1 LYS 15 3HZ LYS 15 -15.250 2.989 3.972
107 HZ2 LYS 15 1HZ LYS 15 -14.841 4.381 4.846
108 HZ3 LYS 15 2HZ LYS 15 -16.375 3.719 4.981
109 H VAL 16 H VAL 16 -9.731 -0.632 2.318
110 HA VAL 16 HA VAL 16 -7.650 -1.326 4.233
111 HB VAL 16 HB VAL 16 -6.727 -3.120 2.787
112 HG11 VAL 16 1HG1 VAL 16 -8.363 -4.873 3.255
113 HG12 VAL 16 2HG1 VAL 16 -9.573 -3.633 3.606
114 HG13 VAL 16 3HG1 VAL 16 -8.136 -3.783 4.625
115 HG21 VAL 16 3HG2 VAL 16 -7.604 -2.404 0.680
116 HG22 VAL 16 1HG2 VAL 16 -9.261 -2.810 1.146
117 HG23 VAL 16 2HG2 VAL 16 -8.053 -4.090 0.976
118 H ASP 17 H ASP 17 -5.593 -0.665 3.635
119 HA ASP 17 HA ASP 17 -5.754 1.541 1.728
120 HB2 ASP 17 2HB ASP 17 -3.730 1.082 3.904
121 HB3 ASP 17 1HB ASP 17 -3.944 2.528 2.921
122 H TRP 18 H TRP 18 -4.279 1.923 0.265
123 HA TRP 18 HA TRP 18 -2.179 -0.118 -0.285
124 HB2 TRP 18 2HB TRP 18 -3.897 1.274 -2.312
125 HB3 TRP 18 1HB TRP 18 -2.653 0.115 -2.694
126 HD1 TRP 18 HD TRP 18 -5.994 0.170 -0.762
127 HE1 TRP 18 1HE TRP 18 -7.230 -2.097 -1.230
128 HE3 TRP 18 3HE TRP 18 -2.605 -1.990 -3.697
129 HZ2 TRP 18 2HZ TRP 18 -6.798 -4.386 -2.664
130 HZ3 TRP 18 3HZ TRP 18 -3.028 -4.230 -4.663
131 HH2 TRP 18 HH TRP 18 -5.075 -5.394 -4.185
132 H VAL 19 H VAL 19 -0.310 0.776 -1.640
133 HA VAL 19 HA VAL 19 -0.061 3.677 -1.778
134 HB VAL 19 HB VAL 19 2.244 2.066 -1.186
135 HG11 VAL 19 1HG1 VAL 19 3.047 3.946 0.137
136 HG12 VAL 19 2HG1 VAL 19 1.568 4.788 -0.346
137 HG13 VAL 19 3HG1 VAL 19 2.705 4.242 -1.571
138 HG21 VAL 19 3HG2 VAL 19 2.058 2.241 1.309
139 HG22 VAL 19 1HG2 VAL 19 1.109 0.989 0.496
140 HG23 VAL 19 2HG2 VAL 19 0.331 2.502 1.078
141 H GLN 20 H GLN 20 1.054 4.056 -3.644
142 HA GLN 20 HA GLN 20 2.228 1.710 -5.043
143 HB2 GLN 20 2HB GLN 20 0.533 3.561 -6.107
144 HB3 GLN 20 1HB GLN 20 2.079 4.232 -6.559
145 HG2 GLN 20 2HG GLN 20 2.765 2.114 -7.579
146 HG3 GLN 20 1HG GLN 20 1.197 1.425 -7.166
147 HE21 GLN 20 1HE2 GLN 20 2.350 1.538 -9.711
148 HE22 GLN 20 2HE2 GLN 20 1.349 2.527 -10.693
149 H CYS 21 H CYS 21 4.469 1.623 -5.559
150 HA CYS 21 HA CYS 21 6.199 3.393 -4.142
151 HB2 CYS 21 2HB CYS 21 6.462 0.890 -4.767
152 HB3 CYS 21 1HB CYS 21 6.861 1.505 -6.335
153 H ASP 22 H ASP 22 7.386 5.029 -4.902
154 HA ASP 22 HA ASP 22 7.119 5.902 -7.724
155 HB2 ASP 22 2HB ASP 22 8.132 7.391 -5.289
156 HB3 ASP 22 1HB ASP 22 8.043 8.049 -6.921
157 H GLY 23 H GLY 23 9.061 3.838 -6.320
158 HA2 GLY 23 2HA GLY 23 11.580 5.186 -7.026
159 HA3 GLY 23 1HA GLY 23 11.458 3.895 -5.873
160 H GLY 24 H GLY 24 9.643 3.262 -8.630
161 HA2 GLY 24 2HA GLY 24 10.805 2.589 -10.781
162 HA3 GLY 24 1HA GLY 24 11.935 1.738 -9.742
163 H CYS 25 H CYS 25 9.927 0.486 -8.045
164 HA CYS 25 HA CYS 25 9.257 -1.623 -9.906
165 HB2 CYS 25 2HB CYS 25 8.379 -2.975 -8.081
166 HB3 CYS 25 1HB CYS 25 9.898 -2.235 -7.579
167 H ASP 26 H ASP 26 7.673 1.185 -9.054
168 HA ASP 26 HA ASP 26 5.497 1.928 -8.947
169 HB2 ASP 26 2HB ASP 26 5.871 0.591 -11.620
170 HB3 ASP 26 1HB ASP 26 4.501 1.632 -11.237
171 H GLU 27 H GLU 27 5.443 -0.566 -7.522
172 HA GLU 27 HA GLU 27 2.899 -1.575 -8.496
173 HB2 GLU 27 2HB GLU 27 4.950 -3.004 -6.837
174 HB3 GLU 27 1HB GLU 27 3.329 -3.608 -7.120
175 HG2 GLU 27 2HG GLU 27 3.819 -3.493 -9.573
176 HG3 GLU 27 1HG GLU 27 5.497 -3.139 -9.145
177 H TRP 28 H TRP 28 1.430 -2.446 -6.809
178 HA TRP 28 HA TRP 28 1.126 -0.346 -4.829
179 HB2 TRP 28 2HB TRP 28 -0.851 -2.371 -5.895
180 HB3 TRP 28 1HB TRP 28 -1.126 -1.258 -4.562
181 HD1 TRP 28 HD TRP 28 -0.922 -1.327 -8.395
182 HE1 TRP 28 1HE TRP 28 -1.815 0.870 -9.281
183 HE3 TRP 28 3HE TRP 28 -1.334 1.210 -3.980
184 HZ2 TRP 28 2HZ TRP 28 -2.602 3.335 -8.285
185 HZ3 TRP 28 3HZ TRP 28 -2.182 3.504 -4.045
186 HH2 TRP 28 HH TRP 28 -2.806 4.554 -6.150
187 H PHE 29 H PHE 29 1.230 -0.663 -2.829
188 HA PHE 29 HA PHE 29 1.162 -3.341 -1.621
189 HB2 PHE 29 2HB PHE 29 2.748 -1.939 0.075
190 HB3 PHE 29 1HB PHE 29 3.327 -3.135 -1.029
191 HD1 PHE 29 1HD PHE 29 3.112 0.373 -0.215
192 HD2 PHE 29 2HD PHE 29 4.462 -2.381 -3.194
193 HE1 PHE 29 1HE PHE 29 4.545 2.054 -1.164
194 HE2 PHE 29 2HE PHE 29 5.852 -0.736 -4.097
195 HZ PHE 29 HZ PHE 29 5.931 1.512 -3.121
196 H HIS 30 H HIS 30 1.036 -3.133 0.828
197 HA HIS 30 HA HIS 30 -1.211 -1.250 1.369
198 HB2 HIS 30 2HB HIS 30 -0.326 -3.651 2.978
199 HB3 HIS 30 1HB HIS 30 -1.659 -2.604 3.371
200 HD2 HIS 30 2HD HIS 30 -4.021 -3.126 1.884
201 HE1 HIS 30 1HE HIS 30 -2.576 -6.907 0.558
202 HE2 HIS 30 2HE HIS 30 -4.494 -5.227 0.442
203 H GLN 31 H GLN 31 -0.955 0.249 2.992
204 HA GLN 31 HA GLN 31 1.403 1.363 3.682
205 HB2 GLN 31 2HB GLN 31 -1.066 1.203 5.419
206 HB3 GLN 31 1HB GLN 31 0.199 2.435 5.436
207 HG2 GLN 31 2HG GLN 31 -0.970 1.962 2.889
208 HG3 GLN 31 1HG GLN 31 -2.157 2.677 4.023
209 HE21 GLN 31 1HE2 GLN 31 -1.253 3.833 1.619
210 HE22 GLN 31 2HE2 GLN 31 -0.308 5.219 2.015
211 H VAL 32 H VAL 32 -0.439 -1.053 5.643
212 HA VAL 32 HA VAL 32 1.440 -1.031 7.743
213 HB VAL 32 HB VAL 32 0.134 -2.909 8.656
214 HG11 VAL 32 1HG1 VAL 32 -1.510 -0.609 7.601
215 HG12 VAL 32 2HG1 VAL 32 -0.547 -0.581 9.074
216 HG13 VAL 32 3HG1 VAL 32 -1.976 -1.642 8.952
217 HG21 VAL 32 3HG2 VAL 32 -1.494 -2.644 6.114
218 HG22 VAL 32 1HG2 VAL 32 -1.910 -3.663 7.500
219 HG23 VAL 32 2HG2 VAL 32 -0.454 -3.991 6.524
220 H CYS 33 H CYS 33 1.270 -2.958 4.772
221 HA CYS 33 HA CYS 33 2.819 -5.075 6.007
222 HB2 CYS 33 2HB CYS 33 2.549 -6.280 3.830
223 HB3 CYS 33 1HB CYS 33 0.990 -5.671 4.371
224 H VAL 34 H VAL 34 3.436 -2.147 4.192
225 HA VAL 34 HA VAL 34 6.044 -3.147 3.539
226 HB VAL 34 HB VAL 34 4.370 -2.516 1.769
227 HG11 VAL 34 1HG1 VAL 34 4.878 0.205 2.820
228 HG12 VAL 34 2HG1 VAL 34 3.284 -0.561 2.603
229 HG13 VAL 34 3HG1 VAL 34 4.286 -0.112 1.219
230 HG21 VAL 34 3HG2 VAL 34 6.951 -1.127 1.944
231 HG22 VAL 34 1HG2 VAL 34 6.023 -1.353 0.423
232 HG23 VAL 34 2HG2 VAL 34 6.589 -2.784 1.363
233 H GLY 35 H GLY 35 4.849 -1.782 6.033
234 HA2 GLY 35 2HA GLY 35 5.512 -0.265 7.645
235 HA3 GLY 35 1HA GLY 35 7.048 -0.277 6.813
236 H VAL 36 H VAL 36 3.875 1.027 5.748
237 HA VAL 36 HA VAL 36 5.151 3.681 5.538
238 HB VAL 36 HB VAL 36 2.416 2.855 4.496
239 HG11 VAL 36 1HG1 VAL 36 2.347 4.665 3.287
240 HG12 VAL 36 2HG1 VAL 36 4.027 5.119 3.520
241 HG13 VAL 36 3HG1 VAL 36 2.834 5.284 4.880
242 HG21 VAL 36 3HG2 VAL 36 3.446 3.269 2.318
243 HG22 VAL 36 1HG2 VAL 36 3.717 1.665 3.070
244 HG23 VAL 36 2HG2 VAL 36 4.998 2.919 3.120
245 H SER 37 H SER 37 4.060 5.558 6.690
246 HA SER 37 HA SER 37 1.926 4.721 8.337
247 HB2 SER 37 2HB SER 37 2.583 6.860 9.550
248 HB3 SER 37 1HB SER 37 3.809 5.595 9.615
249 HG SER 37 HG SER 37 4.634 7.669 9.120
250 HA PRO 38 HA PRO 38 -0.820 6.758 5.514
251 HB2 PRO 38 2HB PRO 38 -2.072 8.541 7.328
252 HB3 PRO 38 1HB PRO 38 -2.636 6.932 6.861
253 HG2 PRO 38 2HG PRO 38 -1.096 7.759 9.277
254 HG3 PRO 38 1HG PRO 38 -2.292 6.463 9.079
255 HD2 PRO 38 2HD PRO 38 0.318 5.936 9.276
256 HD3 PRO 38 1HD PRO 38 -0.717 4.999 8.174
257 H GLU 39 H GLU 39 0.730 8.884 7.789
258 HA GLU 39 HA GLU 39 0.400 11.341 6.462
259 HB2 GLU 39 2HB GLU 39 2.686 10.491 8.215
260 HB3 GLU 39 1HB GLU 39 2.221 12.148 7.845
261 HG2 GLU 39 2HG GLU 39 0.082 11.707 8.921
262 HG3 GLU 39 1HG GLU 39 0.649 10.121 9.391
263 H MET 40 H MET 40 2.791 8.891 6.211
264 HA MET 40 HA MET 40 4.655 10.589 4.777
265 HB2 MET 40 2HB MET 40 4.824 7.623 5.261
266 HB3 MET 40 1HB MET 40 6.046 8.537 4.388
267 HG2 MET 40 2HG MET 40 5.230 8.892 7.264
268 HG3 MET 40 1HG MET 40 6.721 8.169 6.682
269 HE1 MET 40 3HE MET 40 7.454 10.196 4.225
270 HE2 MET 40 1HE MET 40 8.645 9.548 5.363
271 HE3 MET 40 2HE MET 40 8.538 11.284 5.073
272 H ALA 41 H ALA 41 2.633 7.800 3.803
273 HA ALA 41 HA ALA 41 3.484 7.869 1.087
274 HB1 ALA 41 1HB ALA 41 1.499 6.544 0.660
275 HB2 ALA 41 2HB ALA 41 1.035 6.789 2.352
276 HB3 ALA 41 3HB ALA 41 2.509 5.850 1.938
277 H GLU 42 H GLU 42 0.890 9.625 2.785
278 HA GLU 42 HA GLU 42 -0.349 10.333 0.281
279 HB2 GLU 42 2HB GLU 42 -0.898 11.152 3.133
280 HB3 GLU 42 1HB GLU 42 -1.836 11.721 1.768
281 HG2 GLU 42 2HG GLU 42 -2.539 9.410 1.299
282 HG3 GLU 42 1HG GLU 42 -1.571 8.855 2.668
283 H ASN 43 H ASN 43 1.812 11.522 2.514
284 HA ASN 43 HA ASN 43 1.523 14.327 1.666
285 HB2 ASN 43 2HB ASN 43 2.099 13.775 4.073
286 HB3 ASN 43 1HB ASN 43 3.702 13.337 3.440
287 HD21 ASN 43 1HD2 ASN 43 5.213 14.929 3.206
288 HD22 ASN 43 2HD2 ASN 43 4.883 16.603 3.391
289 H GLU 44 H GLU 44 3.971 11.913 1.241
290 HA GLU 44 HA GLU 44 5.032 13.497 -0.909
291 HB2 GLU 44 2HB GLU 44 6.810 12.656 1.391
292 HB3 GLU 44 1HB GLU 44 7.441 13.196 -0.163
293 HG2 GLU 44 2HG GLU 44 6.317 15.305 0.073
294 HG3 GLU 44 1HG GLU 44 5.608 14.803 1.595
295 H ASP 45 H ASP 45 6.926 12.198 -2.101
296 HA ASP 45 HA ASP 45 5.776 9.928 -3.179
297 HB2 ASP 45 2HB ASP 45 8.731 10.640 -3.190
298 HB3 ASP 45 1HB ASP 45 7.877 9.628 -4.336
299 H TYR 46 H TYR 46 6.304 7.729 -2.990
300 HA TYR 46 HA TYR 46 7.908 7.119 -0.668
301 HB2 TYR 46 2HB TYR 46 5.619 7.088 0.220
302 HB3 TYR 46 1HB TYR 46 5.164 5.886 -0.989
303 HD1 TYR 46 2HD TYR 46 7.464 6.462 1.901
304 HD2 TYR 46 1HD TYR 46 5.522 3.694 -0.585
305 HE1 TYR 46 2HE TYR 46 8.287 4.640 3.351
306 HE2 TYR 46 1HE TYR 46 6.338 1.805 0.826
307 HH TYR 46 HH TYR 46 7.590 2.215 3.890
308 H ILE 47 H ILE 47 8.948 5.709 -0.706
309 HA ILE 47 HA ILE 47 9.230 3.964 -3.071
310 HB ILE 47 HB ILE 47 11.445 5.475 -1.732
311 HG12 ILE 47 2HG1 ILE 47 10.294 5.479 -4.502
312 HG13 ILE 47 1HG1 ILE 47 9.801 6.566 -3.208
313 HG21 ILE 47 1HG2 ILE 47 12.913 4.459 -3.454
314 HG22 ILE 47 2HG2 ILE 47 11.564 3.417 -3.967
315 HG23 ILE 47 3HG2 ILE 47 12.254 3.228 -2.371
316 HD11 ILE 47 3HD1 ILE 47 12.475 6.322 -4.439
317 HD12 ILE 47 1HD1 ILE 47 11.963 7.408 -3.105
318 HD13 ILE 47 2HD1 ILE 47 11.181 7.542 -4.718
319 H CYS 48 H CYS 48 9.128 1.933 -2.638
320 HA CYS 48 HA CYS 48 9.118 0.854 -0.032
321 HB2 CYS 48 2HB CYS 48 8.738 -1.244 -1.004
322 HB3 CYS 48 1HB CYS 48 7.979 -0.141 -2.130
323 H ILE 49 H ILE 49 10.630 -1.001 0.689
324 HA ILE 49 HA ILE 49 13.184 0.020 0.787
325 HB ILE 49 HB ILE 49 13.700 -1.907 2.143
326 HG12 ILE 49 2HG1 ILE 49 11.836 -3.079 2.911
327 HG13 ILE 49 1HG1 ILE 49 10.870 -2.718 1.480
328 HG21 ILE 49 1HG2 ILE 49 12.026 -1.281 3.868
329 HG22 ILE 49 2HG2 ILE 49 11.150 -0.528 2.497
330 HG23 ILE 49 3HG2 ILE 49 12.727 0.115 2.980
331 HD11 ILE 49 3HD1 ILE 49 11.799 -4.973 1.200
332 HD12 ILE 49 1HD1 ILE 49 13.414 -4.408 1.646
333 HD13 ILE 49 2HD1 ILE 49 12.693 -3.887 0.127
334 H ASN 50 H ASN 50 11.754 -1.960 -1.259
335 HA ASN 50 HA ASN 50 14.026 -3.525 -2.199
336 HB2 ASN 50 2HB ASN 50 11.364 -3.082 -3.566
337 HB3 ASN 50 1HB ASN 50 12.601 -4.193 -4.118
338 HD21 ASN 50 1HD2 ASN 50 12.940 -6.095 -2.974
339 HD22 ASN 50 2HD2 ASN 50 11.825 -6.661 -1.792
340 H CYS 51 H CYS 51 12.495 -0.557 -3.186
341 HA CYS 51 HA CYS 51 14.322 -0.294 -5.455
342 HB2 CYS 51 2HB CYS 51 12.034 1.479 -4.550
343 HB3 CYS 51 1HB CYS 51 12.951 1.798 -6.010
344 H ALA 52 H ALA 52 14.310 0.363 -2.283
345 HA ALA 52 HA ALA 52 15.494 2.956 -2.147
346 HB1 ALA 52 3HB ALA 52 14.373 1.939 -0.206
347 HB2 ALA 52 1HB ALA 52 16.020 2.448 0.178
348 HB3 ALA 52 2HB ALA 52 15.665 0.745 -0.102
349 HA ALA 301 HA ALA 301 3.555 8.471 -4.503
350 HB1 ALA 301 2HB ALA 301 2.788 7.535 -1.735
351 HB2 ALA 301 3HB ALA 301 4.399 7.430 -2.464
352 HB3 ALA 301 1HB ALA 301 3.053 6.528 -3.165
353 H ARG 302 H ARG 302 1.708 6.822 -4.740
354 HA ARG 302 HA ARG 302 -0.777 8.340 -4.607
355 HB2 ARG 302 2HB ARG 302 0.015 6.072 -6.444
356 HB3 ARG 302 1HB ARG 302 -1.588 6.802 -6.412
357 HG2 ARG 302 2HG ARG 302 -0.631 8.962 -7.015
358 HG3 ARG 302 1HG ARG 302 0.975 8.233 -7.056
359 HD2 ARG 302 2HD ARG 302 0.271 6.783 -8.873
360 HD3 ARG 302 1HD ARG 302 -1.360 7.439 -8.789
361 HE ARG 302 HE ARG 302 0.494 9.517 -9.118
362 HH11 ARG 302 1HH1 ARG 302 -0.935 6.848 -10.982
363 HH12 ARG 302 2HH1 ARG 302 -0.882 7.649 -12.476
364 HH21 ARG 302 1HH2 ARG 302 0.600 10.627 -11.193
365 HH22 ARG 302 2HH2 ARG 302 0.038 9.840 -12.597
366 H THR 303 H THR 303 -2.472 7.590 -3.522
367 HA THR 303 HA THR 303 -2.159 5.000 -2.228
368 HB THR 303 HB THR 303 -3.372 6.090 -0.286
369 HG1 THR 303 1HG THR 303 -3.124 8.368 -0.165
370 HG21 THR 303 3HG2 THR 303 -0.599 7.053 -0.991
371 HG22 THR 303 1HG2 THR 303 -1.025 5.514 -0.247
372 HG23 THR 303 2HG2 THR 303 -1.296 7.032 0.632
373 H M3L 304 H M3L 304 -4.199 4.129 -1.470
374 HA M3L 304 HA M3L 304 -6.693 5.134 -2.504
375 HB2 M3L 304 1HB M3L 304 -5.824 4.140 -4.582
376 HB3 M3L 304 2HB M3L 304 -7.118 3.115 -3.933
377 HG2 M3L 304 1HG M3L 304 -5.607 1.624 -3.026
378 HG3 M3L 304 2HG M3L 304 -4.245 2.683 -3.458
379 HD2 M3L 304 1HD M3L 304 -4.189 0.963 -4.986
380 HD3 M3L 304 2HD M3L 304 -4.816 2.395 -5.793
381 HE2 M3L 304 1HE M3L 304 -7.032 1.553 -5.743
382 HE3 M3L 304 2HE M3L 304 -6.517 0.175 -4.774
383 HM11 M3L 304 1HM1 M3L 304 -3.834 -0.250 -6.476
384 HM12 M3L 304 2HM1 M3L 304 -4.461 -1.306 -7.644
385 HM13 M3L 304 3HM1 M3L 304 -4.835 -1.580 -5.976
386 HM21 M3L 304 1HM2 M3L 304 -4.762 1.688 -7.778
387 HM22 M3L 304 2HM2 M3L 304 -6.446 1.827 -8.098
388 HM23 M3L 304 3HM2 M3L 304 -5.505 0.635 -8.932
389 HM31 M3L 304 3HM3 M3L 304 -7.885 -0.647 -6.576
390 HM32 M3L 304 1HM3 M3L 304 -6.791 -1.814 -7.221
391 HM33 M3L 304 2HM3 M3L 304 -7.420 -0.564 -8.235
392 H GLN 305 H GLN 305 -8.402 3.461 -2.057
393 HA GLN 305 HA GLN 305 -7.700 1.478 -0.059
394 HB2 GLN 305 2HB GLN 305 -10.022 3.407 0.294
395 HB3 GLN 305 1HB GLN 305 -9.613 2.090 1.359
396 HG2 GLN 305 2HG GLN 305 -7.537 3.237 1.964
397 HG3 GLN 305 1HG GLN 305 -8.006 4.555 0.891
398 HE21 GLN 305 1HE2 GLN 305 -8.478 3.063 3.922
399 HE22 GLN 305 2HE2 GLN 305 -9.577 4.196 4.599
400 H THR 306 H THR 306 -8.489 -0.311 -0.989
401 HA THR 306 HA THR 306 -10.619 -0.014 -2.888
402 HB THR 306 HB THR 306 -10.411 -2.516 -3.191
403 HG1 THR 306 1HG THR 306 -9.709 -2.910 -1.076
404 HG21 THR 306 3HG2 THR 306 -8.176 -2.475 -4.240
405 HG22 THR 306 1HG2 THR 306 -7.751 -1.030 -3.339
406 HG23 THR 306 2HG2 THR 306 -9.009 -0.948 -4.562
407 H ALA 307 H ALA 307 -12.142 0.810 -1.506
408 HA ALA 307 HA ALA 307 -13.018 -0.624 0.796
409 HB1 ALA 307 1HB ALA 307 -13.192 1.824 0.690
410 HB2 ALA 307 2HB ALA 307 -14.752 1.080 0.996
411 HB3 ALA 307 3HB ALA 307 -14.364 1.681 -0.615
412 H ARG 308 H ARG 308 -14.106 -2.370 0.721
413 HA ARG 308 HA ARG 308 -16.388 -2.612 -0.958
414 HB2 ARG 308 2HB ARG 308 -15.627 -4.718 -1.986
415 HB3 ARG 308 1HB ARG 308 -14.720 -3.313 -2.527
416 HG2 ARG 308 2HG ARG 308 -12.889 -4.004 -0.923
417 HG3 ARG 308 1HG ARG 308 -13.828 -5.477 -0.625
418 HD2 ARG 308 2HD ARG 308 -13.794 -5.971 -3.011
419 HD3 ARG 308 1HD ARG 308 -12.845 -4.524 -3.296
420 HE ARG 308 HE ARG 308 -11.746 -6.485 -1.479
421 HH11 ARG 308 1HH1 ARG 308 -11.664 -4.928 -4.656
422 HH12 ARG 308 2HH1 ARG 308 -10.262 -5.737 -5.183
423 HH21 ARG 308 1HH2 ARG 308 -9.781 -7.605 -2.225
424 HH22 ARG 308 2HH2 ARG 308 -9.195 -7.290 -3.798
425 H LYS 309 H LYS 309 -17.575 -4.614 -0.423
426 HA LYS 309 HA LYS 309 -18.706 -5.752 1.234
427 HB2 LYS 309 2HB LYS 309 -15.863 -6.374 2.011
428 HB3 LYS 309 1HB LYS 309 -17.259 -7.170 2.727
429 HG2 LYS 309 2HG LYS 309 -17.865 -8.117 0.609
430 HG3 LYS 309 1HG LYS 309 -16.595 -7.200 -0.204
431 HD2 LYS 309 2HD LYS 309 -14.916 -8.332 0.947
432 HD3 LYS 309 1HD LYS 309 -16.068 -9.173 2.004
433 HE2 LYS 309 2HE LYS 309 -15.830 -9.498 -0.991
434 HE3 LYS 309 1HE LYS 309 -15.196 -10.645 0.205
435 HZ1 LYS 309 3HZ LYS 309 -17.499 -10.985 0.969
436 HZ2 LYS 309 1HZ LYS 309 -17.365 -11.370 -0.662
437 HZ3 LYS 309 2HZ LYS 309 -18.063 -9.933 -0.199
Start of MODEL 14
1 HA SER 1 HA SER 1 -6.435 -9.227 -3.056
2 HB2 SER 1 2HB SER 1 -8.282 -7.968 -1.989
3 HB3 SER 1 1HB SER 1 -7.278 -7.668 -0.576
4 HG SER 1 HG SER 1 -6.236 -6.902 -3.061
5 H VAL 2 H VAL 2 -4.340 -9.601 -3.256
6 HA VAL 2 HA VAL 2 -2.583 -9.081 -0.984
7 HB VAL 2 HB VAL 2 -1.892 -10.634 -3.492
8 HG11 VAL 2 1HG1 VAL 2 0.037 -9.849 -2.325
9 HG12 VAL 2 2HG1 VAL 2 -0.075 -11.603 -2.129
10 HG13 VAL 2 3HG1 VAL 2 -0.535 -10.523 -0.814
11 HG21 VAL 2 3HG2 VAL 2 -2.858 -11.795 -0.879
12 HG22 VAL 2 1HG2 VAL 2 -2.237 -12.719 -2.231
13 HG23 VAL 2 2HG2 VAL 2 -3.747 -11.815 -2.406
14 H CYS 3 H CYS 3 -0.848 -7.692 -1.371
15 HA CYS 3 HA CYS 3 -0.921 -6.141 -3.863
16 HB2 CYS 3 2HB CYS 3 -0.204 -4.315 -2.626
17 HB3 CYS 3 1HB CYS 3 -1.220 -5.122 -1.435
18 H ALA 4 H ALA 4 1.567 -5.297 -4.063
19 HA ALA 4 HA ALA 4 3.004 -7.892 -3.804
20 HB1 ALA 4 1HB ALA 4 2.809 -7.123 -6.076
21 HB2 ALA 4 2HB ALA 4 4.512 -7.298 -5.541
22 HB3 ALA 4 3HB ALA 4 3.751 -5.696 -5.619
23 H ALA 5 H ALA 5 3.179 -6.473 -1.550
24 HA ALA 5 HA ALA 5 6.042 -6.117 -1.428
25 HB1 ALA 5 1HB ALA 5 4.575 -4.711 -0.056
26 HB2 ALA 5 2HB ALA 5 5.700 -5.600 0.954
27 HB3 ALA 5 3HB ALA 5 4.020 -6.108 0.858
28 H GLN 6 H GLN 6 7.503 -7.505 -0.726
29 HA GLN 6 HA GLN 6 7.190 -10.250 -0.879
30 HB2 GLN 6 2HB GLN 6 9.330 -8.751 0.637
31 HB3 GLN 6 1HB GLN 6 9.385 -10.460 0.263
32 HG2 GLN 6 2HG GLN 6 9.327 -9.912 -2.138
33 HG3 GLN 6 1HG GLN 6 9.363 -8.199 -1.723
34 HE21 GLN 6 1HE2 GLN 6 11.343 -7.281 -0.916
35 HE22 GLN 6 2HE2 GLN 6 12.803 -8.147 -1.008
36 H ASN 7 H ASN 7 7.051 -8.336 2.083
37 HA ASN 7 HA ASN 7 6.294 -10.809 3.483
38 HB2 ASN 7 2HB ASN 7 8.367 -9.692 4.235
39 HB3 ASN 7 1HB ASN 7 7.452 -8.247 4.633
40 HD21 ASN 7 1HD2 ASN 7 8.205 -11.504 5.570
41 HD22 ASN 7 2HD2 ASN 7 7.492 -11.426 7.137
42 H CYS 8 H CYS 8 4.235 -10.074 2.190
43 HA CYS 8 HA CYS 8 2.806 -8.067 3.675
44 HB2 CYS 8 2HB CYS 8 2.828 -7.642 1.311
45 HB3 CYS 8 1HB CYS 8 2.334 -9.287 0.968
46 H GLN 9 H GLN 9 0.951 -8.350 4.245
47 HA GLN 9 HA GLN 9 -0.258 -11.050 4.728
48 HB2 GLN 9 2HB GLN 9 -0.785 -8.608 6.453
49 HB3 GLN 9 1HB GLN 9 -1.573 -10.163 6.659
50 HG2 GLN 9 2HG GLN 9 0.678 -11.145 7.081
51 HG3 GLN 9 1HG GLN 9 1.329 -9.497 7.082
52 HE21 GLN 9 1HE2 GLN 9 0.714 -8.099 8.764
53 HE22 GLN 9 2HE2 GLN 9 0.007 -8.688 10.231
54 H ARG 10 H ARG 10 -2.564 -11.353 4.401
55 HA ARG 10 HA ARG 10 -3.679 -9.555 2.434
56 HB2 ARG 10 2HB ARG 10 -4.613 -12.271 3.340
57 HB3 ARG 10 1HB ARG 10 -5.074 -11.431 1.871
58 HG2 ARG 10 2HG ARG 10 -2.798 -11.659 1.036
59 HG3 ARG 10 1HG ARG 10 -2.355 -12.534 2.490
60 HD2 ARG 10 2HD ARG 10 -4.076 -14.244 1.954
61 HD3 ARG 10 1HD ARG 10 -4.389 -13.383 0.442
62 HE ARG 10 HE ARG 10 -1.658 -13.944 0.729
63 HH11 ARG 10 1HH1 ARG 10 -4.707 -15.555 -0.101
64 HH12 ARG 10 2HH1 ARG 10 -3.983 -16.762 -1.057
65 HH21 ARG 10 1HH2 ARG 10 -0.651 -15.621 -0.590
66 HH22 ARG 10 2HH2 ARG 10 -1.619 -16.785 -1.349
67 HA PRO 11 HA PRO 11 -6.001 -8.473 6.178
68 HB2 PRO 11 2HB PRO 11 -6.919 -6.077 5.293
69 HB3 PRO 11 1HB PRO 11 -5.314 -6.305 5.996
70 HG2 PRO 11 2HG PRO 11 -6.119 -6.078 3.136
71 HG3 PRO 11 1HG PRO 11 -4.680 -5.441 3.939
72 HD2 PRO 11 2HD PRO 11 -4.653 -7.734 2.399
73 HD3 PRO 11 1HD PRO 11 -3.548 -7.402 3.743
74 H CYS 12 H CYS 12 -7.345 -7.567 3.010
75 HA CYS 12 HA CYS 12 -9.349 -7.792 2.009
76 HB2 CYS 12 2HB CYS 12 -9.543 -10.282 3.726
77 HB3 CYS 12 1HB CYS 12 -10.475 -9.962 2.270
78 HG CYS 12 HG CYS 12 -8.286 -11.882 1.899
79 H LYS 13 H LYS 13 -9.146 -6.488 4.658
80 HA LYS 13 HA LYS 13 -11.541 -6.664 6.147
81 HB2 LYS 13 2HB LYS 13 -9.814 -4.183 5.712
82 HB3 LYS 13 1HB LYS 13 -10.977 -4.434 6.983
83 HG2 LYS 13 2HG LYS 13 -9.671 -6.100 7.985
84 HG3 LYS 13 1HG LYS 13 -8.483 -6.034 6.674
85 HD2 LYS 13 2HD LYS 13 -7.987 -3.716 7.196
86 HD3 LYS 13 1HD LYS 13 -9.256 -3.700 8.423
87 HE2 LYS 13 2HE LYS 13 -8.104 -5.326 9.659
88 HE3 LYS 13 1HE LYS 13 -6.794 -5.430 8.468
89 HZ1 LYS 13 3HZ LYS 13 -7.479 -3.059 10.168
90 HZ2 LYS 13 1HZ LYS 13 -6.366 -3.026 8.898
91 HZ3 LYS 13 2HZ LYS 13 -6.075 -3.989 10.240
92 H ASP 14 H ASP 14 -13.137 -4.736 6.210
93 HA ASP 14 HA ASP 14 -14.638 -4.561 3.908
94 HB2 ASP 14 2HB ASP 14 -14.473 -2.606 6.214
95 HB3 ASP 14 1HB ASP 14 -15.754 -2.643 5.006
96 H LYS 15 H LYS 15 -12.239 -2.209 5.153
97 HA LYS 15 HA LYS 15 -11.866 -1.373 2.410
98 HB2 LYS 15 2HB LYS 15 -11.972 0.344 4.882
99 HB3 LYS 15 1HB LYS 15 -11.224 0.892 3.396
100 HG2 LYS 15 2HG LYS 15 -13.342 0.576 2.213
101 HG3 LYS 15 1HG LYS 15 -14.104 0.076 3.725
102 HD2 LYS 15 2HD LYS 15 -12.783 2.758 3.333
103 HD3 LYS 15 1HD LYS 15 -14.500 2.487 3.046
104 HE2 LYS 15 2HE LYS 15 -13.130 1.793 5.569
105 HE3 LYS 15 1HE LYS 15 -13.840 3.409 5.333
106 HZ1 LYS 15 3HZ LYS 15 -15.984 2.330 5.042
107 HZ2 LYS 15 1HZ LYS 15 -15.350 1.897 6.527
108 HZ3 LYS 15 2HZ LYS 15 -15.316 0.806 5.235
109 H VAL 16 H VAL 16 -9.847 -1.441 1.711
110 HA VAL 16 HA VAL 16 -7.845 -1.977 3.724
111 HB VAL 16 HB VAL 16 -6.632 -3.452 2.034
112 HG11 VAL 16 1HG1 VAL 16 -7.909 -4.387 3.898
113 HG12 VAL 16 2HG1 VAL 16 -8.063 -5.380 2.460
114 HG13 VAL 16 3HG1 VAL 16 -9.378 -4.300 2.928
115 HG21 VAL 16 3HG2 VAL 16 -9.295 -3.289 0.591
116 HG22 VAL 16 1HG2 VAL 16 -8.021 -4.472 0.299
117 HG23 VAL 16 2HG2 VAL 16 -7.712 -2.757 -0.004
118 H ASP 17 H ASP 17 -5.573 -1.511 3.147
119 HA ASP 17 HA ASP 17 -5.486 1.306 2.373
120 HB2 ASP 17 2HB ASP 17 -3.198 -0.323 3.404
121 HB3 ASP 17 1HB ASP 17 -3.537 1.394 3.619
122 H TRP 18 H TRP 18 -4.154 2.056 0.633
123 HA TRP 18 HA TRP 18 -2.347 0.107 -0.566
124 HB2 TRP 18 2HB TRP 18 -4.137 1.873 -2.164
125 HB3 TRP 18 1HB TRP 18 -3.057 0.661 -2.835
126 HD1 TRP 18 HD TRP 18 -6.279 1.100 -1.034
127 HE1 TRP 18 1HE TRP 18 -7.720 -1.099 -1.232
128 HE3 TRP 18 3HE TRP 18 -3.046 -1.639 -3.449
129 HZ2 TRP 18 2HZ TRP 18 -7.424 -3.647 -2.432
130 HZ3 TRP 18 3HZ TRP 18 -3.555 -3.952 -4.187
131 HH2 TRP 18 HH TRP 18 -5.726 -4.923 -3.689
132 H VAL 19 H VAL 19 -0.577 1.107 -1.882
133 HA VAL 19 HA VAL 19 -0.209 3.996 -1.822
134 HB VAL 19 HB VAL 19 2.030 2.235 -1.228
135 HG11 VAL 19 1HG1 VAL 19 2.959 4.156 -0.009
136 HG12 VAL 19 2HG1 VAL 19 1.530 5.063 -0.520
137 HG13 VAL 19 3HG1 VAL 19 2.622 4.383 -1.729
138 HG21 VAL 19 3HG2 VAL 19 0.215 3.051 1.021
139 HG22 VAL 19 1HG2 VAL 19 1.883 2.485 1.227
140 HG23 VAL 19 2HG2 VAL 19 0.698 1.418 0.500
141 H GLN 20 H GLN 20 0.819 4.408 -3.795
142 HA GLN 20 HA GLN 20 2.056 2.055 -5.064
143 HB2 GLN 20 2HB GLN 20 0.389 3.918 -6.228
144 HB3 GLN 20 1HB GLN 20 1.977 4.455 -6.735
145 HG2 GLN 20 2HG GLN 20 2.521 2.216 -7.583
146 HG3 GLN 20 1HG GLN 20 0.926 1.666 -7.103
147 HE21 GLN 20 1HE2 GLN 20 2.034 1.506 -9.700
148 HE22 GLN 20 2HE2 GLN 20 1.028 2.496 -10.715
149 H CYS 21 H CYS 21 4.220 1.957 -5.639
150 HA CYS 21 HA CYS 21 6.012 3.662 -4.139
151 HB2 CYS 21 2HB CYS 21 6.270 1.147 -4.568
152 HB3 CYS 21 1HB CYS 21 6.642 1.596 -6.189
153 H ASP 22 H ASP 22 7.251 5.250 -4.878
154 HA ASP 22 HA ASP 22 7.156 6.002 -7.729
155 HB2 ASP 22 2HB ASP 22 8.126 7.505 -5.288
156 HB3 ASP 22 1HB ASP 22 8.258 8.118 -6.925
157 H GLY 23 H GLY 23 8.918 3.838 -6.178
158 HA2 GLY 23 2HA GLY 23 11.527 5.001 -6.750
159 HA3 GLY 23 1HA GLY 23 11.212 3.582 -5.762
160 H GLY 24 H GLY 24 9.332 3.258 -8.333
161 HA2 GLY 24 2HA GLY 24 10.160 2.716 -10.657
162 HA3 GLY 24 1HA GLY 24 11.474 1.884 -9.854
163 H CYS 25 H CYS 25 9.704 0.519 -7.909
164 HA CYS 25 HA CYS 25 9.073 -1.686 -9.659
165 HB2 CYS 25 2HB CYS 25 8.329 -2.963 -7.766
166 HB3 CYS 25 1HB CYS 25 9.791 -2.108 -7.290
167 H ASP 26 H ASP 26 7.302 0.998 -9.001
168 HA ASP 26 HA ASP 26 5.115 1.640 -8.975
169 HB2 ASP 26 2HB ASP 26 3.981 1.228 -11.157
170 HB3 ASP 26 1HB ASP 26 5.637 1.783 -11.325
171 H GLU 27 H GLU 27 5.317 -0.824 -7.530
172 HA GLU 27 HA GLU 27 2.760 -2.084 -8.100
173 HB2 GLU 27 2HB GLU 27 4.946 -2.817 -6.180
174 HB3 GLU 27 1HB GLU 27 3.376 -3.582 -6.154
175 HG2 GLU 27 2HG GLU 27 5.279 -3.542 -8.495
176 HG3 GLU 27 1HG GLU 27 5.023 -4.899 -7.397
177 H TRP 28 H TRP 28 1.161 -2.368 -6.548
178 HA TRP 28 HA TRP 28 0.900 -0.120 -4.715
179 HB2 TRP 28 2HB TRP 28 -1.093 -2.163 -5.714
180 HB3 TRP 28 1HB TRP 28 -1.421 -1.014 -4.414
181 HD1 TRP 28 HD TRP 28 -1.058 -1.222 -8.212
182 HE1 TRP 28 1HE TRP 28 -1.949 0.973 -9.192
183 HE3 TRP 28 3HE TRP 28 -1.634 1.434 -3.912
184 HZ2 TRP 28 2HZ TRP 28 -2.801 3.464 -8.282
185 HZ3 TRP 28 3HZ TRP 28 -2.484 3.717 -4.027
186 HH2 TRP 28 HH TRP 28 -3.062 4.737 -6.193
187 H PHE 29 H PHE 29 0.952 -0.336 -2.645
188 HA PHE 29 HA PHE 29 1.237 -3.078 -1.476
189 HB2 PHE 29 2HB PHE 29 2.380 -0.631 -0.228
190 HB3 PHE 29 1HB PHE 29 2.801 -2.306 0.020
191 HD1 PHE 29 2HD PHE 29 3.941 -3.505 -2.026
192 HD2 PHE 29 1HD PHE 29 3.596 0.720 -1.507
193 HE1 PHE 29 2HE PHE 29 5.862 -3.132 -3.536
194 HE2 PHE 29 1HE PHE 29 5.435 1.082 -2.911
195 HZ PHE 29 HZ PHE 29 6.621 -0.834 -3.988
196 H HIS 30 H HIS 30 0.812 -3.033 0.893
197 HA HIS 30 HA HIS 30 -1.450 -1.235 1.548
198 HB2 HIS 30 2HB HIS 30 -0.382 -3.630 3.094
199 HB3 HIS 30 1HB HIS 30 -1.779 -2.664 3.535
200 HD2 HIS 30 2HD HIS 30 -4.134 -3.354 2.140
201 HE1 HIS 30 1HE HIS 30 -2.486 -6.976 0.642
202 HE2 HIS 30 2HE HIS 30 -4.505 -5.454 0.654
203 H GLN 31 H GLN 31 -1.088 0.326 3.096
204 HA GLN 31 HA GLN 31 1.299 1.437 3.555
205 HB2 GLN 31 2HB GLN 31 -1.060 1.365 5.445
206 HB3 GLN 31 1HB GLN 31 0.217 2.589 5.383
207 HG2 GLN 31 2HG GLN 31 -1.015 2.089 2.889
208 HG3 GLN 31 1HG GLN 31 -2.238 2.751 3.960
209 HE21 GLN 31 1HE2 GLN 31 -1.484 3.976 1.647
210 HE22 GLN 31 2HE2 GLN 31 -0.541 5.375 2.015
211 H VAL 32 H VAL 32 -0.364 -0.937 5.672
212 HA VAL 32 HA VAL 32 1.582 -0.894 7.689
213 HB VAL 32 HB VAL 32 0.358 -2.835 8.612
214 HG11 VAL 32 1HG1 VAL 32 -1.331 -0.517 7.684
215 HG12 VAL 32 2HG1 VAL 32 -0.353 -0.553 9.151
216 HG13 VAL 32 3HG1 VAL 32 -1.761 -1.610 8.994
217 HG21 VAL 32 3HG2 VAL 32 -1.716 -3.576 7.522
218 HG22 VAL 32 1HG2 VAL 32 -0.303 -3.887 6.507
219 HG23 VAL 32 2HG2 VAL 32 -1.363 -2.525 6.145
220 H CYS 33 H CYS 33 1.349 -2.900 4.743
221 HA CYS 33 HA CYS 33 3.009 -4.962 5.924
222 HB2 CYS 33 2HB CYS 33 2.712 -6.119 3.708
223 HB3 CYS 33 1HB CYS 33 1.149 -5.630 4.369
224 H VAL 34 H VAL 34 3.452 -2.089 3.933
225 HA VAL 34 HA VAL 34 6.064 -3.012 3.161
226 HB VAL 34 HB VAL 34 4.365 -2.295 1.399
227 HG11 VAL 34 1HG1 VAL 34 3.228 -0.557 2.593
228 HG12 VAL 34 2HG1 VAL 34 3.926 0.049 1.098
229 HG13 VAL 34 3HG1 VAL 34 4.725 0.369 2.630
230 HG21 VAL 34 3HG2 VAL 34 6.650 -2.338 0.998
231 HG22 VAL 34 1HG2 VAL 34 6.838 -0.714 1.701
232 HG23 VAL 34 2HG2 VAL 34 5.883 -0.925 0.197
233 H GLY 35 H GLY 35 4.915 -1.726 5.756
234 HA2 GLY 35 2HA GLY 35 5.593 -0.228 7.381
235 HA3 GLY 35 1HA GLY 35 7.141 -0.281 6.583
236 H VAL 36 H VAL 36 4.032 1.111 5.490
237 HA VAL 36 HA VAL 36 5.376 3.694 5.102
238 HB VAL 36 HB VAL 36 2.502 2.894 4.406
239 HG11 VAL 36 1HG1 VAL 36 2.962 5.347 4.721
240 HG12 VAL 36 2HG1 VAL 36 2.302 4.686 3.228
241 HG13 VAL 36 3HG1 VAL 36 4.004 5.151 3.245
242 HG21 VAL 36 3HG2 VAL 36 4.950 2.881 2.757
243 HG22 VAL 36 1HG2 VAL 36 3.360 3.420 2.183
244 HG23 VAL 36 2HG2 VAL 36 3.525 1.771 2.824
245 H SER 37 H SER 37 4.616 5.681 6.357
246 HA SER 37 HA SER 37 2.687 5.052 8.354
247 HB2 SER 37 2HB SER 37 4.725 7.289 8.053
248 HB3 SER 37 1HB SER 37 3.692 6.987 9.453
249 HG SER 37 HG SER 37 5.088 4.787 8.849
250 HA PRO 38 HA PRO 38 -0.316 7.275 5.890
251 HB2 PRO 38 2HB PRO 38 -1.006 9.226 7.878
252 HB3 PRO 38 1HB PRO 38 -1.864 7.727 7.518
253 HG2 PRO 38 2HG PRO 38 0.144 8.302 9.637
254 HG3 PRO 38 1HG PRO 38 -1.195 7.144 9.654
255 HD2 PRO 38 2HD PRO 38 1.326 6.328 9.436
256 HD3 PRO 38 1HD PRO 38 0.028 5.538 8.518
257 H GLU 39 H GLU 39 1.594 9.427 7.864
258 HA GLU 39 HA GLU 39 1.399 11.745 6.269
259 HB2 GLU 39 2HB GLU 39 3.588 10.914 8.149
260 HB3 GLU 39 1HB GLU 39 3.456 12.493 7.404
261 HG2 GLU 39 2HG GLU 39 1.363 11.309 9.202
262 HG3 GLU 39 1HG GLU 39 2.666 12.384 9.726
263 H MET 40 H MET 40 3.481 9.008 6.015
264 HA MET 40 HA MET 40 5.491 10.392 4.494
265 HB2 MET 40 2HB MET 40 5.134 7.435 4.949
266 HB3 MET 40 1HB MET 40 6.477 8.159 4.063
267 HG2 MET 40 2HG MET 40 7.164 9.352 6.045
268 HG3 MET 40 1HG MET 40 5.801 8.691 6.939
269 HE1 MET 40 3HE MET 40 8.887 8.495 7.857
270 HE2 MET 40 1HE MET 40 8.918 6.841 8.459
271 HE3 MET 40 2HE MET 40 7.522 7.856 8.808
272 H ALA 41 H ALA 41 2.967 7.984 3.684
273 HA ALA 41 HA ALA 41 3.619 7.907 0.928
274 HB1 ALA 41 1HB ALA 41 1.536 6.738 0.743
275 HB2 ALA 41 2HB ALA 41 1.234 7.131 2.452
276 HB3 ALA 41 3HB ALA 41 2.602 6.061 1.991
277 H GLU 42 H GLU 42 1.237 9.792 2.795
278 HA GLU 42 HA GLU 42 -0.023 10.448 0.288
279 HB2 GLU 42 2HB GLU 42 -0.795 11.148 3.100
280 HB3 GLU 42 1HB GLU 42 -1.750 11.540 1.664
281 HG2 GLU 42 2HG GLU 42 -1.811 9.063 1.203
282 HG3 GLU 42 1HG GLU 42 -1.142 8.822 2.806
283 H ASN 43 H ASN 43 2.032 11.775 2.600
284 HA ASN 43 HA ASN 43 1.675 14.458 1.538
285 HB2 ASN 43 2HB ASN 43 3.598 13.468 3.623
286 HB3 ASN 43 1HB ASN 43 3.553 15.109 3.023
287 HD21 ASN 43 1HD2 ASN 43 3.079 14.031 5.687
288 HD22 ASN 43 2HD2 ASN 43 1.507 14.517 6.190
289 H GLU 44 H GLU 44 4.002 11.908 1.132
290 HA GLU 44 HA GLU 44 5.395 13.601 -0.802
291 HB2 GLU 44 2HB GLU 44 6.814 11.998 1.329
292 HB3 GLU 44 1HB GLU 44 7.594 12.869 0.015
293 HG2 GLU 44 2HG GLU 44 6.717 14.967 0.911
294 HG3 GLU 44 1HG GLU 44 5.964 14.089 2.226
295 H ASP 45 H ASP 45 7.016 12.247 -2.174
296 HA ASP 45 HA ASP 45 5.821 10.066 -3.397
297 HB2 ASP 45 2HB ASP 45 8.783 10.694 -3.164
298 HB3 ASP 45 1HB ASP 45 8.024 9.712 -4.403
299 H TYR 46 H TYR 46 6.058 7.863 -3.050
300 HA TYR 46 HA TYR 46 7.645 7.242 -0.697
301 HB2 TYR 46 2HB TYR 46 5.381 7.035 0.075
302 HB3 TYR 46 1HB TYR 46 4.975 5.939 -1.253
303 HD1 TYR 46 2HD TYR 46 7.340 6.241 1.642
304 HD2 TYR 46 1HD TYR 46 5.177 3.839 -0.971
305 HE1 TYR 46 2HE TYR 46 8.141 4.260 2.891
306 HE2 TYR 46 1HE TYR 46 5.933 1.766 0.199
307 HH TYR 46 HH TYR 46 7.454 1.825 3.239
308 H ILE 47 H ILE 47 8.843 5.957 -0.640
309 HA ILE 47 HA ILE 47 9.535 4.202 -2.990
310 HB ILE 47 HB ILE 47 11.577 5.228 -0.984
311 HG12 ILE 47 2HG1 ILE 47 10.558 7.174 -2.123
312 HG13 ILE 47 1HG1 ILE 47 12.258 6.978 -2.581
313 HG21 ILE 47 1HG2 ILE 47 12.274 3.275 -2.179
314 HG22 ILE 47 2HG2 ILE 47 13.215 4.669 -2.724
315 HG23 ILE 47 3HG2 ILE 47 11.914 4.041 -3.723
316 HD11 ILE 47 3HD1 ILE 47 9.811 6.262 -4.180
317 HD12 ILE 47 1HD1 ILE 47 11.473 5.972 -4.692
318 HD13 ILE 47 2HD1 ILE 47 10.899 7.626 -4.454
319 H CYS 48 H CYS 48 9.140 2.222 -2.552
320 HA CYS 48 HA CYS 48 8.830 1.171 0.087
321 HB2 CYS 48 2HB CYS 48 8.338 -0.906 -0.888
322 HB3 CYS 48 1HB CYS 48 7.782 0.258 -2.083
323 H ILE 49 H ILE 49 10.169 -0.879 0.830
324 HA ILE 49 HA ILE 49 12.779 -0.020 1.075
325 HB ILE 49 HB ILE 49 13.089 -1.982 2.439
326 HG12 ILE 49 2HG1 ILE 49 11.158 -3.061 3.080
327 HG13 ILE 49 1HG1 ILE 49 10.228 -2.619 1.656
328 HG21 ILE 49 1HG2 ILE 49 10.624 -0.448 2.628
329 HG22 ILE 49 2HG2 ILE 49 12.204 0.072 3.272
330 HG23 ILE 49 3HG2 ILE 49 11.287 -1.274 4.046
331 HD11 ILE 49 3HD1 ILE 49 12.636 -4.468 1.844
332 HD12 ILE 49 1HD1 ILE 49 12.044 -3.808 0.315
333 HD13 ILE 49 2HD1 ILE 49 11.004 -4.859 1.275
334 H ASN 50 H ASN 50 11.318 -1.875 -1.118
335 HA ASN 50 HA ASN 50 13.568 -3.515 -2.014
336 HB2 ASN 50 2HB ASN 50 11.065 -2.807 -3.585
337 HB3 ASN 50 1HB ASN 50 12.289 -3.965 -4.079
338 HD21 ASN 50 1HD2 ASN 50 9.436 -4.295 -3.647
339 HD22 ASN 50 2HD2 ASN 50 9.268 -5.532 -2.463
340 H CYS 51 H CYS 51 12.176 -0.440 -3.015
341 HA CYS 51 HA CYS 51 14.131 -0.186 -5.187
342 HB2 CYS 51 2HB CYS 51 11.828 1.640 -4.420
343 HB3 CYS 51 1HB CYS 51 12.781 1.857 -5.875
344 H ALA 52 H ALA 52 13.925 0.529 -2.001
345 HA ALA 52 HA ALA 52 15.206 3.109 -1.886
346 HB1 ALA 52 3HB ALA 52 13.767 2.262 -0.097
347 HB2 ALA 52 1HB ALA 52 15.361 2.715 0.510
348 HB3 ALA 52 2HB ALA 52 14.959 1.013 0.264
349 HA ALA 301 HA ALA 301 3.675 8.151 -5.017
350 HB1 ALA 301 2HB ALA 301 4.211 7.949 -2.636
351 HB2 ALA 301 3HB ALA 301 3.268 6.575 -3.224
352 HB3 ALA 301 1HB ALA 301 2.478 7.827 -2.265
353 H ARG 302 H ARG 302 0.757 9.474 -4.035
354 HA ARG 302 HA ARG 302 -1.418 9.183 -4.551
355 HB2 ARG 302 2HB ARG 302 -0.709 8.870 -6.916
356 HB3 ARG 302 1HB ARG 302 -0.433 7.176 -6.598
357 HG2 ARG 302 2HG ARG 302 -2.825 6.857 -6.139
358 HG3 ARG 302 1HG ARG 302 -3.083 8.571 -6.444
359 HD2 ARG 302 2HD ARG 302 -1.986 6.586 -8.436
360 HD3 ARG 302 1HD ARG 302 -3.648 7.180 -8.398
361 HE ARG 302 HE ARG 302 -1.783 9.314 -8.548
362 HH11 ARG 302 1HH1 ARG 302 -3.392 6.852 -10.546
363 HH12 ARG 302 2HH1 ARG 302 -3.246 7.713 -11.997
364 HH21 ARG 302 1HH2 ARG 302 -1.543 10.485 -10.573
365 HH22 ARG 302 2HH2 ARG 302 -2.143 9.831 -12.022
366 H THR 303 H THR 303 -2.432 8.406 -2.845
367 HA THR 303 HA THR 303 -2.013 5.645 -2.219
368 HB THR 303 HB THR 303 -3.239 6.348 -0.072
369 HG1 THR 303 1HG THR 303 -3.447 8.535 0.259
370 HG21 THR 303 3HG2 THR 303 -1.104 7.045 0.850
371 HG22 THR 303 1HG2 THR 303 -0.572 7.557 -0.780
372 HG23 THR 303 2HG2 THR 303 -0.888 5.870 -0.479
373 H M3L 304 H M3L 304 -4.015 4.616 -1.191
374 HA M3L 304 HA M3L 304 -6.370 5.183 -2.737
375 HB2 M3L 304 1HB M3L 304 -4.378 3.051 -3.437
376 HB3 M3L 304 2HB M3L 304 -5.184 4.238 -4.339
377 HG2 M3L 304 1HG M3L 304 -7.192 3.120 -4.455
378 HG3 M3L 304 2HG M3L 304 -6.590 1.899 -3.305
379 HD2 M3L 304 1HD M3L 304 -4.800 1.346 -4.831
380 HD3 M3L 304 2HD M3L 304 -5.387 2.508 -6.003
381 HE2 M3L 304 1HE M3L 304 -7.531 1.290 -6.012
382 HE3 M3L 304 2HE M3L 304 -6.736 0.166 -4.902
383 HM11 M3L 304 1HM1 M3L 304 -4.041 -0.035 -6.218
384 HM12 M3L 304 2HM1 M3L 304 -4.355 -1.198 -7.433
385 HM13 M3L 304 3HM1 M3L 304 -4.990 -1.437 -5.830
386 HM21 M3L 304 1HM2 M3L 304 -5.544 0.605 -9.005
387 HM22 M3L 304 2HM2 M3L 304 -4.803 1.627 -7.833
388 HM23 M3L 304 3HM2 M3L 304 -6.476 1.805 -8.174
389 HM31 M3L 304 3HM3 M3L 304 -7.964 -0.811 -6.967
390 HM32 M3L 304 1HM3 M3L 304 -6.690 -1.936 -7.274
391 HM33 M3L 304 2HM3 M3L 304 -7.175 -0.833 -8.504
392 H GLN 305 H GLN 305 -8.061 3.781 -2.239
393 HA GLN 305 HA GLN 305 -7.915 1.938 -0.071
394 HB2 GLN 305 2HB GLN 305 -8.043 4.114 1.120
395 HB3 GLN 305 1HB GLN 305 -9.452 4.546 0.174
396 HG2 GLN 305 2HG GLN 305 -10.698 2.673 1.175
397 HG3 GLN 305 1HG GLN 305 -9.273 2.278 2.136
398 HE21 GLN 305 1HE2 GLN 305 -11.852 4.580 1.647
399 HE22 GLN 305 2HE2 GLN 305 -11.677 5.368 3.170
400 H THR 306 H THR 306 -9.015 0.421 -1.056
401 HA THR 306 HA THR 306 -11.486 1.209 -2.294
402 HB THR 306 HB THR 306 -10.194 0.546 -4.164
403 HG1 THR 306 1HG THR 306 -11.988 -0.452 -4.719
404 HG21 THR 306 3HG2 THR 306 -8.919 -1.591 -4.343
405 HG22 THR 306 1HG2 THR 306 -9.408 -1.989 -2.699
406 HG23 THR 306 2HG2 THR 306 -8.360 -0.622 -3.015
407 H ALA 307 H ALA 307 -13.303 0.213 -1.706
408 HA ALA 307 HA ALA 307 -13.046 -1.369 0.695
409 HB1 ALA 307 1HB ALA 307 -15.507 -0.092 -0.521
410 HB2 ALA 307 2HB ALA 307 -14.504 0.629 0.745
411 HB3 ALA 307 3HB ALA 307 -15.389 -0.840 1.074
412 H ARG 308 H ARG 308 -13.419 -3.447 0.768
413 HA ARG 308 HA ARG 308 -14.721 -4.710 -1.546
414 HB2 ARG 308 2HB ARG 308 -12.544 -5.948 0.146
415 HB3 ARG 308 1HB ARG 308 -13.221 -6.566 -1.355
416 HG2 ARG 308 2HG ARG 308 -12.236 -4.492 -2.496
417 HG3 ARG 308 1HG ARG 308 -11.420 -4.195 -0.974
418 HD2 ARG 308 2HD ARG 308 -9.954 -5.316 -2.517
419 HD3 ARG 308 1HD ARG 308 -10.304 -6.348 -1.122
420 HE ARG 308 HE ARG 308 -12.060 -7.335 -2.686
421 HH11 ARG 308 1HH1 ARG 308 -8.899 -6.164 -3.819
422 HH12 ARG 308 2HH1 ARG 308 -8.851 -7.183 -5.174
423 HH21 ARG 308 1HH2 ARG 308 -11.950 -8.795 -4.511
424 HH22 ARG 308 2HH2 ARG 308 -10.590 -8.761 -5.532
425 H LYS 309 H LYS 309 -16.614 -5.381 -0.900
426 HA LYS 309 HA LYS 309 -17.837 -5.507 1.493
427 HB2 LYS 309 2HB LYS 309 -18.886 -5.978 -0.695
428 HB3 LYS 309 1HB LYS 309 -18.165 -7.565 -0.707
429 HG2 LYS 309 2HG LYS 309 -19.494 -8.124 1.316
430 HG3 LYS 309 1HG LYS 309 -20.247 -6.530 1.205
431 HD2 LYS 309 2HD LYS 309 -21.011 -7.080 -1.073
432 HD3 LYS 309 1HD LYS 309 -20.336 -8.693 -0.900
433 HE2 LYS 309 2HE LYS 309 -22.741 -8.730 -0.473
434 HE3 LYS 309 1HE LYS 309 -21.860 -9.144 0.994
435 HZ1 LYS 309 3HZ LYS 309 -22.224 -6.864 1.767
436 HZ2 LYS 309 1HZ LYS 309 -23.675 -7.618 1.405
437 HZ3 LYS 309 2HZ LYS 309 -23.052 -6.492 0.350
Start of MODEL 15
1 HA SER 1 HA SER 1 -6.666 -7.668 -2.417
2 HB2 SER 1 2HB SER 1 -6.788 -10.524 -1.392
3 HB3 SER 1 1HB SER 1 -7.267 -9.103 -0.479
4 HG SER 1 HG SER 1 -8.440 -9.988 -2.919
5 H VAL 2 H VAL 2 -4.033 -9.490 -3.209
6 HA VAL 2 HA VAL 2 -2.557 -8.787 -0.782
7 HB VAL 2 HB VAL 2 -1.705 -10.743 -2.935
8 HG11 VAL 2 1HG1 VAL 2 -0.602 -10.268 -0.161
9 HG12 VAL 2 2HG1 VAL 2 0.171 -9.818 -1.674
10 HG13 VAL 2 3HG1 VAL 2 -0.046 -11.528 -1.266
11 HG21 VAL 2 3HG2 VAL 2 -2.973 -11.323 -0.265
12 HG22 VAL 2 1HG2 VAL 2 -2.257 -12.541 -1.323
13 HG23 VAL 2 2HG2 VAL 2 -3.669 -11.631 -1.862
14 H CYS 3 H CYS 3 -0.668 -7.652 -1.032
15 HA CYS 3 HA CYS 3 -0.412 -6.163 -3.542
16 HB2 CYS 3 2HB CYS 3 0.425 -4.432 -2.271
17 HB3 CYS 3 1HB CYS 3 -0.779 -5.113 -1.164
18 H ALA 4 H ALA 4 2.026 -5.538 -3.643
19 HA ALA 4 HA ALA 4 3.469 -8.128 -3.216
20 HB1 ALA 4 1HB ALA 4 4.275 -5.959 -5.059
21 HB2 ALA 4 2HB ALA 4 3.421 -7.437 -5.528
22 HB3 ALA 4 3HB ALA 4 5.097 -7.509 -4.889
23 H ALA 5 H ALA 5 3.493 -6.712 -0.991
24 HA ALA 5 HA ALA 5 6.313 -6.151 -0.689
25 HB1 ALA 5 1HB ALA 5 4.203 -6.243 1.494
26 HB2 ALA 5 2HB ALA 5 4.631 -4.836 0.537
27 HB3 ALA 5 3HB ALA 5 5.824 -5.548 1.606
28 H GLN 6 H GLN 6 7.834 -7.276 0.364
29 HA GLN 6 HA GLN 6 8.196 -9.947 0.148
30 HB2 GLN 6 2HB GLN 6 9.259 -8.264 2.384
31 HB3 GLN 6 1HB GLN 6 9.936 -9.778 1.800
32 HG2 GLN 6 2HG GLN 6 10.471 -8.719 -0.336
33 HG3 GLN 6 1HG GLN 6 9.729 -7.227 0.220
34 HE21 GLN 6 1HE2 GLN 6 12.459 -9.364 0.602
35 HE22 GLN 6 2HE2 GLN 6 13.433 -8.246 1.473
36 H ASN 7 H ASN 7 7.160 -8.426 3.188
37 HA ASN 7 HA ASN 7 6.186 -11.087 3.981
38 HB2 ASN 7 2HB ASN 7 8.118 -10.336 5.384
39 HB3 ASN 7 1HB ASN 7 7.176 -8.936 5.880
40 HD21 ASN 7 1HD2 ASN 7 7.589 -12.364 6.218
41 HD22 ASN 7 2HD2 ASN 7 6.552 -12.559 7.593
42 H CYS 8 H CYS 8 4.381 -10.170 2.648
43 HA CYS 8 HA CYS 8 2.768 -8.458 4.304
44 HB2 CYS 8 2HB CYS 8 2.985 -7.681 1.999
45 HB3 CYS 8 1HB CYS 8 2.351 -9.216 1.426
46 H GLN 9 H GLN 9 0.925 -8.856 4.711
47 HA GLN 9 HA GLN 9 -0.314 -11.526 4.420
48 HB2 GLN 9 2HB GLN 9 -0.630 -9.864 6.938
49 HB3 GLN 9 1HB GLN 9 -1.631 -11.258 6.576
50 HG2 GLN 9 2HG GLN 9 0.430 -12.651 6.451
51 HG3 GLN 9 1HG GLN 9 1.361 -11.254 6.958
52 HE21 GLN 9 1HE2 GLN 9 -0.997 -13.617 7.918
53 HE22 GLN 9 2HE2 GLN 9 -0.857 -13.370 9.625
54 H ARG 10 H ARG 10 -2.657 -11.731 4.074
55 HA ARG 10 HA ARG 10 -3.632 -9.579 2.509
56 HB2 ARG 10 2HB ARG 10 -3.597 -11.928 1.666
57 HB3 ARG 10 1HB ARG 10 -4.542 -12.421 3.047
58 HG2 ARG 10 2HG ARG 10 -6.359 -10.908 2.262
59 HG3 ARG 10 1HG ARG 10 -5.385 -10.623 0.819
60 HD2 ARG 10 2HD ARG 10 -6.364 -13.352 1.716
61 HD3 ARG 10 1HD ARG 10 -7.164 -12.371 0.496
62 HE ARG 10 HE ARG 10 -4.374 -13.076 0.073
63 HH11 ARG 10 1HH1 ARG 10 -7.797 -13.697 -0.738
64 HH12 ARG 10 2HH1 ARG 10 -7.440 -14.561 -2.143
65 HH21 ARG 10 1HH2 ARG 10 -3.920 -14.318 -1.934
66 HH22 ARG 10 2HH2 ARG 10 -5.211 -14.880 -2.844
67 HA PRO 11 HA PRO 11 -6.031 -8.705 6.270
68 HB2 PRO 11 2HB PRO 11 -6.938 -6.266 5.513
69 HB3 PRO 11 1HB PRO 11 -5.305 -6.543 6.125
70 HG2 PRO 11 2HG PRO 11 -6.217 -6.169 3.302
71 HG3 PRO 11 1HG PRO 11 -4.744 -5.594 4.087
72 HD2 PRO 11 2HD PRO 11 -4.909 -7.814 2.456
73 HD3 PRO 11 1HD PRO 11 -3.643 -7.544 3.665
74 H CYS 12 H CYS 12 -7.475 -7.687 3.140
75 HA CYS 12 HA CYS 12 -9.501 -7.821 2.238
76 HB2 CYS 12 2HB CYS 12 -9.490 -10.479 3.662
77 HB3 CYS 12 1HB CYS 12 -10.746 -9.948 2.532
78 HG CYS 12 HG CYS 12 -9.559 -10.456 0.390
79 H LYS 13 H LYS 13 -9.324 -6.622 4.867
80 HA LYS 13 HA LYS 13 -11.813 -6.973 6.204
81 HB2 LYS 13 2HB LYS 13 -9.887 -4.628 6.256
82 HB3 LYS 13 1HB LYS 13 -11.237 -4.838 7.331
83 HG2 LYS 13 2HG LYS 13 -10.280 -6.830 8.260
84 HG3 LYS 13 1HG LYS 13 -8.927 -6.724 7.127
85 HD2 LYS 13 2HD LYS 13 -8.168 -4.697 8.066
86 HD3 LYS 13 1HD LYS 13 -9.615 -4.514 9.056
87 HE2 LYS 13 2HE LYS 13 -9.081 -6.444 10.270
88 HE3 LYS 13 1HE LYS 13 -7.645 -6.773 9.314
89 HZ1 LYS 13 3HZ LYS 13 -6.694 -4.688 10.104
90 HZ2 LYS 13 1HZ LYS 13 -7.079 -5.668 11.413
91 HZ3 LYS 13 2HZ LYS 13 -8.066 -4.347 11.014
92 H ASP 14 H ASP 14 -13.105 -4.730 6.514
93 HA ASP 14 HA ASP 14 -14.902 -4.248 4.580
94 HB2 ASP 14 2HB ASP 14 -13.628 -2.250 6.416
95 HB3 ASP 14 1HB ASP 14 -15.113 -1.944 5.538
96 H LYS 15 H LYS 15 -12.107 -2.139 5.120
97 HA LYS 15 HA LYS 15 -11.684 -1.738 2.297
98 HB2 LYS 15 2HB LYS 15 -12.350 0.441 4.269
99 HB3 LYS 15 1HB LYS 15 -11.548 0.762 2.750
100 HG2 LYS 15 2HG LYS 15 -13.391 0.010 1.493
101 HG3 LYS 15 1HG LYS 15 -14.214 -0.609 2.926
102 HD2 LYS 15 2HD LYS 15 -13.593 2.311 2.417
103 HD3 LYS 15 1HD LYS 15 -15.149 1.540 2.075
104 HE2 LYS 15 2HE LYS 15 -13.789 1.631 4.721
105 HE3 LYS 15 1HE LYS 15 -15.116 2.709 4.244
106 HZ1 LYS 15 3HZ LYS 15 -16.493 0.679 3.983
107 HZ2 LYS 15 1HZ LYS 15 -15.955 0.855 5.563
108 HZ3 LYS 15 2HZ LYS 15 -15.233 -0.272 4.534
109 H VAL 16 H VAL 16 -9.596 -1.657 1.936
110 HA VAL 16 HA VAL 16 -7.840 -1.191 4.221
111 HB VAL 16 HB VAL 16 -6.230 -2.904 3.327
112 HG11 VAL 16 1HG1 VAL 16 -7.517 -4.848 4.101
113 HG12 VAL 16 2HG1 VAL 16 -8.998 -3.898 4.016
114 HG13 VAL 16 3HG1 VAL 16 -7.735 -3.458 5.156
115 HG21 VAL 16 3HG2 VAL 16 -7.139 -4.592 1.724
116 HG22 VAL 16 1HG2 VAL 16 -6.933 -2.971 1.035
117 HG23 VAL 16 2HG2 VAL 16 -8.539 -3.552 1.500
118 H ASP 17 H ASP 17 -5.784 -0.340 3.795
119 HA ASP 17 HA ASP 17 -5.943 1.598 1.604
120 HB2 ASP 17 2HB ASP 17 -4.259 1.649 4.107
121 HB3 ASP 17 1HB ASP 17 -4.343 2.932 2.909
122 H TRP 18 H TRP 18 -4.301 2.047 0.252
123 HA TRP 18 HA TRP 18 -2.027 0.123 0.069
124 HB2 TRP 18 2HB TRP 18 -3.643 1.197 -2.231
125 HB3 TRP 18 1HB TRP 18 -2.336 0.078 -2.396
126 HD1 TRP 18 HD TRP 18 -5.716 0.107 -0.563
127 HE1 TRP 18 1HE TRP 18 -6.857 -2.222 -0.918
128 HE3 TRP 18 3HE TRP 18 -2.214 -2.032 -3.372
129 HZ2 TRP 18 2HZ TRP 18 -6.305 -4.594 -2.278
130 HZ3 TRP 18 3HZ TRP 18 -2.545 -4.349 -4.248
131 HH2 TRP 18 HH TRP 18 -4.557 -5.570 -3.719
132 H VAL 19 H VAL 19 -0.083 1.032 -1.236
133 HA VAL 19 HA VAL 19 -0.126 3.916 -1.727
134 HB VAL 19 HB VAL 19 2.351 2.641 -0.887
135 HG11 VAL 19 1HG1 VAL 19 2.513 4.823 -1.560
136 HG12 VAL 19 2HG1 VAL 19 2.895 4.743 0.161
137 HG13 VAL 19 3HG1 VAL 19 1.324 5.358 -0.378
138 HG21 VAL 19 3HG2 VAL 19 0.320 3.247 1.166
139 HG22 VAL 19 1HG2 VAL 19 2.063 3.053 1.513
140 HG23 VAL 19 2HG2 VAL 19 1.198 1.710 0.792
141 H GLN 20 H GLN 20 0.968 4.263 -3.572
142 HA GLN 20 HA GLN 20 2.420 1.988 -4.772
143 HB2 GLN 20 2HB GLN 20 0.663 3.778 -5.923
144 HB3 GLN 20 1HB GLN 20 2.242 4.378 -6.409
145 HG2 GLN 20 2HG GLN 20 2.867 2.188 -7.271
146 HG3 GLN 20 1HG GLN 20 1.298 1.549 -6.808
147 HE21 GLN 20 1HE2 GLN 20 2.439 1.500 -9.353
148 HE22 GLN 20 2HE2 GLN 20 1.421 2.385 -10.414
149 H CYS 21 H CYS 21 4.691 2.090 -5.124
150 HA CYS 21 HA CYS 21 6.024 4.268 -3.887
151 HB2 CYS 21 2HB CYS 21 7.963 2.824 -4.954
152 HB3 CYS 21 1HB CYS 21 7.148 2.224 -3.454
153 H ASP 22 H ASP 22 7.202 5.838 -4.801
154 HA ASP 22 HA ASP 22 6.579 6.609 -7.522
155 HB2 ASP 22 2HB ASP 22 8.303 7.980 -5.438
156 HB3 ASP 22 1HB ASP 22 7.816 8.652 -6.995
157 H GLY 23 H GLY 23 8.442 4.229 -7.101
158 HA2 GLY 23 2HA GLY 23 10.892 5.343 -8.166
159 HA3 GLY 23 1HA GLY 23 10.682 3.770 -7.371
160 H GLY 24 H GLY 24 11.583 2.609 -9.374
161 HA2 GLY 24 2HA GLY 24 9.872 3.011 -11.631
162 HA3 GLY 24 1HA GLY 24 11.465 2.291 -11.616
163 H CYS 25 H CYS 25 9.817 0.970 -9.013
164 HA CYS 25 HA CYS 25 9.123 -1.281 -10.742
165 HB2 CYS 25 2HB CYS 25 9.516 -2.757 -9.010
166 HB3 CYS 25 1HB CYS 25 10.407 -1.413 -8.347
167 H ASP 26 H ASP 26 7.674 1.294 -9.191
168 HA ASP 26 HA ASP 26 5.557 2.013 -8.721
169 HB2 ASP 26 2HB ASP 26 5.025 0.451 -11.223
170 HB3 ASP 26 1HB ASP 26 3.988 1.719 -10.591
171 H GLU 27 H GLU 27 5.835 -0.295 -7.124
172 HA GLU 27 HA GLU 27 3.442 -1.750 -7.812
173 HB2 GLU 27 2HB GLU 27 5.664 -2.531 -5.975
174 HB3 GLU 27 1HB GLU 27 4.148 -3.424 -6.111
175 HG2 GLU 27 2HG GLU 27 4.657 -3.605 -8.597
176 HG3 GLU 27 1HG GLU 27 6.248 -2.973 -8.202
177 H TRP 28 H TRP 28 2.014 -2.452 -6.224
178 HA TRP 28 HA TRP 28 1.366 -0.246 -4.399
179 HB2 TRP 28 2HB TRP 28 -0.401 -2.430 -5.529
180 HB3 TRP 28 1HB TRP 28 -0.840 -1.291 -4.271
181 HD1 TRP 28 HD TRP 28 -0.607 -1.557 -8.081
182 HE1 TRP 28 1HE TRP 28 -1.603 0.546 -9.098
183 HE3 TRP 28 3HE TRP 28 -1.062 1.261 -3.841
184 HZ2 TRP 28 2HZ TRP 28 -2.488 3.049 -8.254
185 HZ3 TRP 28 3HZ TRP 28 -2.009 3.520 -4.047
186 HH2 TRP 28 HH TRP 28 -2.696 4.394 -6.214
187 H PHE 29 H PHE 29 1.355 -0.518 -2.338
188 HA PHE 29 HA PHE 29 1.547 -3.254 -1.157
189 HB2 PHE 29 2HB PHE 29 2.642 -0.831 0.160
190 HB3 PHE 29 1HB PHE 29 3.096 -2.517 0.369
191 HD1 PHE 29 2HD PHE 29 4.372 -3.650 -1.562
192 HD2 PHE 29 1HD PHE 29 3.775 0.564 -1.175
193 HE1 PHE 29 2HE PHE 29 6.246 -3.225 -3.092
194 HE2 PHE 29 1HE PHE 29 5.612 0.963 -2.649
195 HZ PHE 29 HZ PHE 29 6.856 -0.892 -3.635
196 H HIS 30 H HIS 30 1.000 -3.089 1.186
197 HA HIS 30 HA HIS 30 -1.300 -1.259 1.548
198 HB2 HIS 30 2HB HIS 30 -0.380 -3.531 3.347
199 HB3 HIS 30 1HB HIS 30 -1.809 -2.560 3.583
200 HD2 HIS 30 2HD HIS 30 -4.049 -3.345 2.076
201 HE1 HIS 30 1HE HIS 30 -2.275 -7.011 0.830
202 HE2 HIS 30 2HE HIS 30 -4.310 -5.512 0.659
203 H GLN 31 H GLN 31 -1.110 0.268 3.194
204 HA GLN 31 HA GLN 31 1.432 1.276 3.597
205 HB2 GLN 31 2HB GLN 31 -0.882 1.879 5.426
206 HB3 GLN 31 1HB GLN 31 0.481 2.932 5.097
207 HG2 GLN 31 2HG GLN 31 -0.428 2.433 2.628
208 HG3 GLN 31 1HG GLN 31 -1.929 2.439 3.539
209 HE21 GLN 31 1HE2 GLN 31 -1.049 4.312 1.558
210 HE22 GLN 31 2HE2 GLN 31 -0.968 5.863 2.271
211 H VAL 32 H VAL 32 -0.451 -0.796 5.734
212 HA VAL 32 HA VAL 32 1.334 -0.577 7.902
213 HB VAL 32 HB VAL 32 0.080 -2.450 8.853
214 HG11 VAL 32 1HG1 VAL 32 -1.644 -0.287 7.628
215 HG12 VAL 32 2HG1 VAL 32 -0.750 -0.156 9.134
216 HG13 VAL 32 3HG1 VAL 32 -2.102 -1.287 9.011
217 HG21 VAL 32 3HG2 VAL 32 -1.413 -2.420 6.223
218 HG22 VAL 32 1HG2 VAL 32 -1.879 -3.374 7.641
219 HG23 VAL 32 2HG2 VAL 32 -0.348 -3.682 6.790
220 H CYS 33 H CYS 33 1.328 -2.686 5.045
221 HA CYS 33 HA CYS 33 2.920 -4.624 6.431
222 HB2 CYS 33 2HB CYS 33 2.807 -5.890 4.227
223 HB3 CYS 33 1HB CYS 33 1.208 -5.457 4.834
224 H VAL 34 H VAL 34 3.473 -1.903 4.203
225 HA VAL 34 HA VAL 34 6.193 -2.785 3.963
226 HB VAL 34 HB VAL 34 4.711 -2.260 1.878
227 HG11 VAL 34 1HG1 VAL 34 5.248 0.507 2.694
228 HG12 VAL 34 2HG1 VAL 34 3.640 -0.227 2.557
229 HG13 VAL 34 3HG1 VAL 34 4.682 -0.007 1.123
230 HG21 VAL 34 3HG2 VAL 34 6.996 -2.619 1.890
231 HG22 VAL 34 1HG2 VAL 34 7.286 -0.926 2.296
232 HG23 VAL 34 2HG2 VAL 34 6.559 -1.333 0.704
233 H GLY 35 H GLY 35 4.867 -1.460 6.267
234 HA2 GLY 35 2HA GLY 35 5.388 0.051 7.932
235 HA3 GLY 35 1HA GLY 35 6.969 0.117 7.193
236 H VAL 36 H VAL 36 3.812 1.276 5.966
237 HA VAL 36 HA VAL 36 4.959 3.969 5.747
238 HB VAL 36 HB VAL 36 2.579 2.686 4.346
239 HG11 VAL 36 1HG1 VAL 36 2.043 5.020 4.658
240 HG12 VAL 36 2HG1 VAL 36 2.536 4.658 2.971
241 HG13 VAL 36 3HG1 VAL 36 3.659 5.446 4.051
242 HG21 VAL 36 3HG2 VAL 36 4.224 1.983 3.043
243 HG22 VAL 36 1HG2 VAL 36 5.301 3.377 3.470
244 HG23 VAL 36 2HG2 VAL 36 3.922 3.660 2.478
245 H SER 37 H SER 37 3.755 5.805 6.745
246 HA SER 37 HA SER 37 1.456 5.025 8.200
247 HB2 SER 37 2HB SER 37 3.447 7.306 8.506
248 HB3 SER 37 1HB SER 37 2.109 6.954 9.591
249 HG SER 37 HG SER 37 3.273 4.805 9.816
250 HA PRO 38 HA PRO 38 -0.752 7.275 4.980
251 HB2 PRO 38 2HB PRO 38 -1.862 8.897 7.241
252 HB3 PRO 38 1HB PRO 38 -2.708 8.134 5.883
253 HG2 PRO 38 2HG PRO 38 -2.731 7.014 8.311
254 HG3 PRO 38 1HG PRO 38 -2.627 6.021 6.850
255 HD2 PRO 38 2HD PRO 38 -0.557 6.652 8.867
256 HD3 PRO 38 1HD PRO 38 -0.728 5.218 7.819
257 H GLU 39 H GLU 39 0.589 9.219 7.581
258 HA GLU 39 HA GLU 39 0.607 11.747 6.370
259 HB2 GLU 39 2HB GLU 39 2.483 10.588 8.404
260 HB3 GLU 39 1HB GLU 39 2.149 12.302 8.143
261 HG2 GLU 39 2HG GLU 39 -0.164 11.920 8.782
262 HG3 GLU 39 1HG GLU 39 0.195 10.226 9.058
263 H MET 40 H MET 40 2.889 9.177 6.408
264 HA MET 40 HA MET 40 5.036 10.774 5.344
265 HB2 MET 40 2HB MET 40 4.922 7.767 5.666
266 HB3 MET 40 1HB MET 40 6.325 8.654 5.126
267 HG2 MET 40 2HG MET 40 4.989 8.908 7.804
268 HG3 MET 40 1HG MET 40 6.496 8.048 7.467
269 HE1 MET 40 3HE MET 40 8.872 11.040 6.426
270 HE2 MET 40 1HE MET 40 7.870 10.046 5.370
271 HE3 MET 40 2HE MET 40 8.773 9.306 6.693
272 H ALA 41 H ALA 41 2.990 8.213 3.972
273 HA ALA 41 HA ALA 41 4.248 8.364 1.429
274 HB1 ALA 41 1HB ALA 41 2.523 6.878 0.716
275 HB2 ALA 41 2HB ALA 41 1.689 7.192 2.244
276 HB3 ALA 41 3HB ALA 41 3.254 6.327 2.242
277 H GLU 42 H GLU 42 1.285 9.898 2.784
278 HA GLU 42 HA GLU 42 0.445 10.422 0.106
279 HB2 GLU 42 2HB GLU 42 -0.750 11.219 2.741
280 HB3 GLU 42 1HB GLU 42 -1.504 11.539 1.172
281 HG2 GLU 42 2HG GLU 42 -1.482 9.074 0.786
282 HG3 GLU 42 1HG GLU 42 -0.968 8.863 2.461
283 H ASN 43 H ASN 43 2.160 11.881 2.597
284 HA ASN 43 HA ASN 43 1.931 14.512 1.398
285 HB2 ASN 43 2HB ASN 43 3.406 13.592 3.826
286 HB3 ASN 43 1HB ASN 43 3.610 15.189 3.139
287 HD21 ASN 43 1HD2 ASN 43 1.888 16.670 3.291
288 HD22 ASN 43 2HD2 ASN 43 0.550 16.395 4.347
289 H GLU 44 H GLU 44 4.326 11.976 1.333
290 HA GLU 44 HA GLU 44 5.907 13.665 -0.445
291 HB2 GLU 44 2HB GLU 44 7.035 12.243 1.969
292 HB3 GLU 44 1HB GLU 44 8.019 12.950 0.686
293 HG2 GLU 44 2HG GLU 44 7.142 15.148 1.213
294 HG3 GLU 44 1HG GLU 44 6.075 14.456 2.427
295 H ASP 45 H ASP 45 7.649 12.381 -1.632
296 HA ASP 45 HA ASP 45 6.637 10.246 -3.014
297 HB2 ASP 45 2HB ASP 45 9.564 10.872 -2.511
298 HB3 ASP 45 1HB ASP 45 8.931 9.794 -3.739
299 H TYR 46 H TYR 46 6.588 8.145 -2.658
300 HA TYR 46 HA TYR 46 8.178 7.195 -0.414
301 HB2 TYR 46 2HB TYR 46 5.897 7.105 0.296
302 HB3 TYR 46 1HB TYR 46 5.455 6.164 -1.136
303 HD1 TYR 46 2HD TYR 46 8.105 5.961 1.530
304 HD2 TYR 46 1HD TYR 46 5.163 4.143 -0.753
305 HE1 TYR 46 2HE TYR 46 8.691 3.828 2.624
306 HE2 TYR 46 1HE TYR 46 5.683 1.898 0.280
307 HH TYR 46 HH TYR 46 7.556 1.570 3.070
308 H ILE 47 H ILE 47 9.314 5.926 -0.597
309 HA ILE 47 HA ILE 47 9.841 4.457 -3.157
310 HB ILE 47 HB ILE 47 12.044 5.313 -1.232
311 HG12 ILE 47 2HG1 ILE 47 10.995 7.194 -2.436
312 HG13 ILE 47 1HG1 ILE 47 12.661 6.956 -2.946
313 HG21 ILE 47 1HG2 ILE 47 12.592 3.220 -2.473
314 HG22 ILE 47 2HG2 ILE 47 13.603 4.571 -2.952
315 HG23 ILE 47 3HG2 ILE 47 12.263 4.067 -3.986
316 HD11 ILE 47 3HD1 ILE 47 11.257 7.478 -4.831
317 HD12 ILE 47 1HD1 ILE 47 10.167 6.130 -4.450
318 HD13 ILE 47 2HD1 ILE 47 11.832 5.820 -4.962
319 H CYS 48 H CYS 48 9.811 2.327 -3.131
320 HA CYS 48 HA CYS 48 9.561 0.979 -0.545
321 HB2 CYS 48 2HB CYS 48 8.730 -0.836 -1.677
322 HB3 CYS 48 1HB CYS 48 8.040 0.469 -2.609
323 H ILE 49 H ILE 49 10.833 -1.359 -0.595
324 HA ILE 49 HA ILE 49 13.500 -0.661 -0.757
325 HB ILE 49 HB ILE 49 13.944 -2.879 0.066
326 HG12 ILE 49 2HG1 ILE 49 11.930 -3.968 0.868
327 HG13 ILE 49 1HG1 ILE 49 11.023 -3.271 -0.468
328 HG21 ILE 49 1HG2 ILE 49 13.351 -1.078 1.538
329 HG22 ILE 49 2HG2 ILE 49 12.570 -2.594 2.145
330 HG23 ILE 49 3HG2 ILE 49 11.663 -1.422 1.168
331 HD11 ILE 49 3HD1 ILE 49 13.388 -5.166 -0.669
332 HD12 ILE 49 1HD1 ILE 49 12.653 -4.360 -2.047
333 HD13 ILE 49 2HD1 ILE 49 11.731 -5.551 -1.116
334 H ASN 50 H ASN 50 11.393 -2.248 -2.790
335 HA ASN 50 HA ASN 50 13.273 -3.579 -4.545
336 HB2 ASN 50 2HB ASN 50 10.427 -2.731 -5.169
337 HB3 ASN 50 1HB ASN 50 11.446 -3.640 -6.261
338 HD21 ASN 50 1HD2 ASN 50 8.874 -4.397 -5.239
339 HD22 ASN 50 2HD2 ASN 50 9.104 -5.833 -4.343
340 H CYS 51 H CYS 51 11.830 -0.363 -4.457
341 HA CYS 51 HA CYS 51 13.029 0.382 -6.951
342 HB2 CYS 51 2HB CYS 51 11.377 1.942 -4.908
343 HB3 CYS 51 1HB CYS 51 12.128 2.648 -6.328
344 H ALA 52 H ALA 52 14.019 0.033 -3.839
345 HA ALA 52 HA ALA 52 16.056 2.162 -4.003
346 HB1 ALA 52 3HB ALA 52 16.253 2.010 -1.571
347 HB2 ALA 52 1HB ALA 52 15.054 0.721 -1.554
348 HB3 ALA 52 2HB ALA 52 14.580 2.343 -2.046
349 HA ALA 301 HA ALA 301 3.471 9.014 -4.644
350 HB1 ALA 301 2HB ALA 301 4.391 8.064 -2.573
351 HB2 ALA 301 3HB ALA 301 3.094 7.062 -3.231
352 HB3 ALA 301 1HB ALA 301 2.779 8.114 -1.847
353 H ARG 302 H ARG 302 1.655 7.254 -4.782
354 HA ARG 302 HA ARG 302 -0.912 8.703 -4.761
355 HB2 ARG 302 2HB ARG 302 -0.006 8.137 -7.006
356 HB3 ARG 302 1HB ARG 302 0.014 6.442 -6.560
357 HG2 ARG 302 2HG ARG 302 -2.417 6.449 -6.388
358 HG3 ARG 302 1HG ARG 302 -2.449 8.164 -6.763
359 HD2 ARG 302 2HD ARG 302 -1.431 7.734 -8.945
360 HD3 ARG 302 1HD ARG 302 -1.349 6.020 -8.574
361 HE ARG 302 HE ARG 302 -3.943 6.413 -8.330
362 HH11 ARG 302 1HH1 ARG 302 -1.849 7.743 -10.852
363 HH12 ARG 302 2HH1 ARG 302 -2.983 7.601 -12.091
364 HH21 ARG 302 1HH2 ARG 302 -5.535 6.219 -10.052
365 HH22 ARG 302 2HH2 ARG 302 -5.149 6.722 -11.628
366 H THR 303 H THR 303 -2.479 7.911 -3.454
367 HA THR 303 HA THR 303 -2.080 5.225 -2.393
368 HB THR 303 HB THR 303 -3.354 6.088 -0.376
369 HG1 THR 303 1HG THR 303 -3.390 8.386 -0.119
370 HG21 THR 303 3HG2 THR 303 -0.934 5.766 -0.452
371 HG22 THR 303 1HG2 THR 303 -1.365 7.113 0.594
372 HG23 THR 303 2HG2 THR 303 -0.721 7.427 -1.016
373 H M3L 304 H M3L 304 -4.180 4.302 -1.493
374 HA M3L 304 HA M3L 304 -6.658 5.064 -2.751
375 HB2 M3L 304 1HB M3L 304 -5.684 3.902 -4.686
376 HB3 M3L 304 2HB M3L 304 -6.910 2.858 -3.906
377 HG2 M3L 304 1HG M3L 304 -5.376 1.597 -2.851
378 HG3 M3L 304 2HG M3L 304 -4.034 2.660 -3.361
379 HD2 M3L 304 1HD M3L 304 -3.912 0.766 -4.681
380 HD3 M3L 304 2HD M3L 304 -4.520 2.076 -5.672
381 HE2 M3L 304 1HE M3L 304 -6.786 1.192 -5.493
382 HE3 M3L 304 2HE M3L 304 -6.182 -0.086 -4.451
383 HM11 M3L 304 1HM1 M3L 304 -4.406 -1.775 -5.525
384 HM12 M3L 304 2HM1 M3L 304 -3.483 -0.452 -6.202
385 HM13 M3L 304 3HM1 M3L 304 -4.106 -1.647 -7.223
386 HM21 M3L 304 1HM2 M3L 304 -4.568 1.310 -7.576
387 HM22 M3L 304 2HM2 M3L 304 -6.278 1.347 -7.823
388 HM23 M3L 304 3HM2 M3L 304 -5.322 0.157 -8.625
389 HM31 M3L 304 3HM3 M3L 304 -7.155 -1.039 -7.767
390 HM32 M3L 304 1HM3 M3L 304 -7.449 -1.163 -6.067
391 HM33 M3L 304 2HM3 M3L 304 -6.332 -2.237 -6.838
392 H GLN 305 H GLN 305 -8.328 3.377 -2.237
393 HA GLN 305 HA GLN 305 -7.661 1.596 -0.059
394 HB2 GLN 305 2HB GLN 305 -8.331 3.747 0.967
395 HB3 GLN 305 1HB GLN 305 -9.879 3.647 0.139
396 HG2 GLN 305 2HG GLN 305 -10.410 1.629 1.310
397 HG3 GLN 305 1HG GLN 305 -8.867 1.659 2.165
398 HE21 GLN 305 1HE2 GLN 305 -8.520 3.307 3.709
399 HE22 GLN 305 2HE2 GLN 305 -9.838 4.103 4.460
400 H THR 306 H THR 306 -8.425 -0.278 -0.685
401 HA THR 306 HA THR 306 -10.540 -0.416 -2.689
402 HB THR 306 HB THR 306 -9.940 -2.835 -2.790
403 HG1 THR 306 1HG THR 306 -9.221 -2.734 -0.529
404 HG21 THR 306 3HG2 THR 306 -7.531 -0.975 -3.005
405 HG22 THR 306 1HG2 THR 306 -8.701 -1.254 -4.289
406 HG23 THR 306 2HG2 THR 306 -7.615 -2.536 -3.715
407 H ALA 307 H ALA 307 -12.625 -0.858 -2.102
408 HA ALA 307 HA ALA 307 -13.118 -1.812 0.589
409 HB1 ALA 307 1HB ALA 307 -15.111 -0.859 -1.507
410 HB2 ALA 307 2HB ALA 307 -14.421 0.128 -0.200
411 HB3 ALA 307 3HB ALA 307 -15.452 -1.218 0.191
412 H ARG 308 H ARG 308 -13.768 -3.782 1.086
413 HA ARG 308 HA ARG 308 -14.421 -5.639 -1.093
414 HB2 ARG 308 2HB ARG 308 -12.632 -6.132 1.290
415 HB3 ARG 308 1HB ARG 308 -13.218 -7.401 0.246
416 HG2 ARG 308 2HG ARG 308 -11.502 -5.098 -0.690
417 HG3 ARG 308 1HG ARG 308 -10.869 -6.666 -0.212
418 HD2 ARG 308 2HD ARG 308 -11.039 -6.578 -2.620
419 HD3 ARG 308 1HD ARG 308 -12.217 -7.722 -2.005
420 HE ARG 308 HE ARG 308 -13.298 -5.087 -2.428
421 HH11 ARG 308 1HH1 ARG 308 -12.550 -8.131 -4.074
422 HH12 ARG 308 2HH1 ARG 308 -13.714 -7.901 -5.305
423 HH21 ARG 308 1HH2 ARG 308 -14.908 -4.797 -4.088
424 HH22 ARG 308 2HH2 ARG 308 -15.101 -5.980 -5.291
425 H LYS 309 H LYS 309 -16.414 -6.267 -0.879
426 HA LYS 309 HA LYS 309 -17.789 -6.121 1.657
427 HB2 LYS 309 2HB LYS 309 -18.733 -7.182 -1.014
428 HB3 LYS 309 1HB LYS 309 -19.747 -6.932 0.406
429 HG2 LYS 309 2HG LYS 309 -19.307 -4.551 0.314
430 HG3 LYS 309 1HG LYS 309 -18.260 -4.771 -1.081
431 HD2 LYS 309 2HD LYS 309 -20.145 -5.628 -2.381
432 HD3 LYS 309 1HD LYS 309 -21.200 -5.458 -0.978
433 HE2 LYS 309 2HE LYS 309 -20.834 -3.033 -0.987
434 HE3 LYS 309 1HE LYS 309 -19.737 -3.216 -2.348
435 HZ1 LYS 309 3HZ LYS 309 -21.573 -3.946 -3.710
436 HZ2 LYS 309 1HZ LYS 309 -21.988 -2.496 -2.992
437 HZ3 LYS 309 2HZ LYS 309 -22.640 -3.906 -2.415
Start of MODEL 16
1 HA SER 1 HA SER 1 -7.648 -7.542 -0.803
2 HB2 SER 1 2HB SER 1 -7.151 -9.465 -3.127
3 HB3 SER 1 1HB SER 1 -7.696 -9.919 -1.507
4 HG SER 1 HG SER 1 -9.458 -9.781 -2.866
5 H VAL 2 H VAL 2 -5.125 -8.912 -2.996
6 HA VAL 2 HA VAL 2 -3.238 -8.677 -0.778
7 HB VAL 2 HB VAL 2 -2.957 -10.488 -3.185
8 HG11 VAL 2 1HG1 VAL 2 -0.835 -9.988 -2.126
9 HG12 VAL 2 2HG1 VAL 2 -1.250 -11.658 -1.757
10 HG13 VAL 2 3HG1 VAL 2 -1.466 -10.406 -0.544
11 HG21 VAL 2 3HG2 VAL 2 -3.617 -12.371 -1.701
12 HG22 VAL 2 1HG2 VAL 2 -4.920 -11.218 -1.973
13 HG23 VAL 2 2HG2 VAL 2 -4.037 -11.190 -0.454
14 H CYS 3 H CYS 3 -1.235 -7.764 -1.269
15 HA CYS 3 HA CYS 3 -1.124 -6.311 -3.826
16 HB2 CYS 3 2HB CYS 3 -0.211 -4.489 -2.751
17 HB3 CYS 3 1HB CYS 3 -1.389 -5.018 -1.563
18 H ALA 4 H ALA 4 1.610 -5.669 -4.041
19 HA ALA 4 HA ALA 4 2.789 -8.279 -3.714
20 HB1 ALA 4 1HB ALA 4 3.516 -5.929 -5.473
21 HB2 ALA 4 2HB ALA 4 2.704 -7.397 -6.018
22 HB3 ALA 4 3HB ALA 4 4.372 -7.476 -5.440
23 H ALA 5 H ALA 5 3.602 -8.171 -1.654
24 HA ALA 5 HA ALA 5 5.621 -6.178 -1.145
25 HB1 ALA 5 1HB ALA 5 3.604 -5.135 -0.224
26 HB2 ALA 5 2HB ALA 5 4.751 -5.484 1.069
27 HB3 ALA 5 3HB ALA 5 3.344 -6.487 0.848
28 H GLN 6 H GLN 6 6.216 -6.632 1.178
29 HA GLN 6 HA GLN 6 7.493 -9.336 0.884
30 HB2 GLN 6 2HB GLN 6 9.037 -7.033 2.081
31 HB3 GLN 6 1HB GLN 6 9.602 -8.694 2.078
32 HG2 GLN 6 2HG GLN 6 9.398 -8.664 -0.424
33 HG3 GLN 6 1HG GLN 6 9.097 -6.937 -0.310
34 HE21 GLN 6 1HE2 GLN 6 11.294 -8.418 -1.571
35 HE22 GLN 6 2HE2 GLN 6 12.726 -7.785 -0.852
36 H ASN 7 H ASN 7 5.800 -7.552 3.139
37 HA ASN 7 HA ASN 7 6.063 -9.868 4.953
38 HB2 ASN 7 2HB ASN 7 7.280 -7.720 5.766
39 HB3 ASN 7 1HB ASN 7 5.683 -7.028 5.950
40 HD21 ASN 7 1HD2 ASN 7 4.374 -7.682 7.660
41 HD22 ASN 7 2HD2 ASN 7 4.957 -8.660 8.958
42 H CYS 8 H CYS 8 4.227 -8.513 2.872
43 HA CYS 8 HA CYS 8 1.793 -7.829 3.972
44 HB2 CYS 8 2HB CYS 8 2.370 -7.838 1.361
45 HB3 CYS 8 1HB CYS 8 1.803 -9.454 1.515
46 H GLN 9 H GLN 9 0.081 -8.579 4.823
47 HA GLN 9 HA GLN 9 -0.302 -11.403 4.926
48 HB2 GLN 9 2HB GLN 9 -1.081 -9.228 6.897
49 HB3 GLN 9 1HB GLN 9 -1.322 -10.957 7.091
50 HG2 GLN 9 2HG GLN 9 1.122 -11.273 7.217
51 HG3 GLN 9 1HG GLN 9 1.336 -9.543 7.011
52 HE21 GLN 9 1HE2 GLN 9 0.425 -12.046 9.196
53 HE22 GLN 9 2HE2 GLN 9 0.342 -11.075 10.618
54 H ARG 10 H ARG 10 -2.202 -11.802 3.874
55 HA ARG 10 HA ARG 10 -3.659 -9.966 2.425
56 HB2 ARG 10 2HB ARG 10 -4.347 -12.800 3.225
57 HB3 ARG 10 1HB ARG 10 -4.868 -11.955 1.776
58 HG2 ARG 10 2HG ARG 10 -2.638 -11.963 0.884
59 HG3 ARG 10 1HG ARG 10 -1.993 -12.623 2.378
60 HD2 ARG 10 2HD ARG 10 -3.374 -14.677 1.987
61 HD3 ARG 10 1HD ARG 10 -3.798 -14.020 0.400
62 HE ARG 10 HE ARG 10 -1.028 -13.966 0.681
63 HH11 ARG 10 1HH1 ARG 10 -3.566 -16.466 0.438
64 HH12 ARG 10 2HH1 ARG 10 -2.586 -17.591 -0.365
65 HH21 ARG 10 1HH2 ARG 10 0.364 -15.616 -0.398
66 HH22 ARG 10 2HH2 ARG 10 -0.317 -17.117 -0.788
67 HA PRO 11 HA PRO 11 -6.366 -9.249 6.041
68 HB2 PRO 11 2HB PRO 11 -7.005 -6.677 5.386
69 HB3 PRO 11 1HB PRO 11 -5.553 -7.120 6.263
70 HG2 PRO 11 2HG PRO 11 -5.834 -6.166 3.514
71 HG3 PRO 11 1HG PRO 11 -4.381 -6.255 4.515
72 HD2 PRO 11 2HD PRO 11 -5.210 -8.106 2.404
73 HD3 PRO 11 1HD PRO 11 -3.735 -8.092 3.374
74 H CYS 12 H CYS 12 -7.303 -7.575 3.060
75 HA CYS 12 HA CYS 12 -9.072 -7.554 1.738
76 HB2 CYS 12 2HB CYS 12 -9.587 -10.339 2.822
77 HB3 CYS 12 1HB CYS 12 -10.310 -9.661 1.364
78 HG CYS 12 HG CYS 12 -8.373 -11.523 0.689
79 H LYS 13 H LYS 13 -9.317 -7.227 4.774
80 HA LYS 13 HA LYS 13 -11.982 -7.203 5.572
81 HB2 LYS 13 2HB LYS 13 -10.029 -4.968 6.150
82 HB3 LYS 13 1HB LYS 13 -11.619 -5.087 6.881
83 HG2 LYS 13 2HG LYS 13 -10.882 -7.324 7.809
84 HG3 LYS 13 1HG LYS 13 -9.263 -6.928 7.235
85 HD2 LYS 13 2HD LYS 13 -10.836 -5.124 9.064
86 HD3 LYS 13 1HD LYS 13 -9.718 -6.341 9.676
87 HE2 LYS 13 2HE LYS 13 -8.952 -4.114 7.779
88 HE3 LYS 13 1HE LYS 13 -8.832 -4.012 9.533
89 HZ1 LYS 13 3HZ LYS 13 -6.709 -4.646 8.508
90 HZ2 LYS 13 1HZ LYS 13 -7.389 -6.066 7.899
91 HZ3 LYS 13 2HZ LYS 13 -7.296 -5.829 9.534
92 H ASP 14 H ASP 14 -13.422 -5.141 5.866
93 HA ASP 14 HA ASP 14 -14.719 -4.765 3.490
94 HB2 ASP 14 2HB ASP 14 -14.781 -3.054 5.975
95 HB3 ASP 14 1HB ASP 14 -15.887 -2.871 4.620
96 H LYS 15 H LYS 15 -12.409 -2.474 4.954
97 HA LYS 15 HA LYS 15 -11.615 -1.682 2.328
98 HB2 LYS 15 2HB LYS 15 -12.944 0.263 4.196
99 HB3 LYS 15 1HB LYS 15 -11.710 0.824 3.099
100 HG2 LYS 15 2HG LYS 15 -12.993 0.210 1.169
101 HG3 LYS 15 1HG LYS 15 -14.129 -0.691 2.162
102 HD2 LYS 15 2HD LYS 15 -13.728 2.283 2.443
103 HD3 LYS 15 1HD LYS 15 -14.925 1.581 1.345
104 HE2 LYS 15 2HE LYS 15 -14.705 0.893 4.191
105 HE3 LYS 15 1HE LYS 15 -15.793 2.213 3.674
106 HZ1 LYS 15 3HZ LYS 15 -17.031 0.162 3.943
107 HZ2 LYS 15 1HZ LYS 15 -15.919 -0.702 3.024
108 HZ3 LYS 15 2HZ LYS 15 -16.912 0.444 2.315
109 H VAL 16 H VAL 16 -9.563 -0.985 2.137
110 HA VAL 16 HA VAL 16 -7.957 -0.762 4.535
111 HB VAL 16 HB VAL 16 -6.224 -2.324 3.521
112 HG11 VAL 16 1HG1 VAL 16 -7.662 -3.068 5.375
113 HG12 VAL 16 2HG1 VAL 16 -7.326 -4.395 4.258
114 HG13 VAL 16 3HG1 VAL 16 -8.886 -3.582 4.213
115 HG21 VAL 16 3HG2 VAL 16 -7.006 -2.354 1.233
116 HG22 VAL 16 1HG2 VAL 16 -8.534 -3.092 1.719
117 HG23 VAL 16 2HG2 VAL 16 -7.067 -4.019 1.873
118 H ASP 17 H ASP 17 -5.881 0.103 4.172
119 HA ASP 17 HA ASP 17 -5.881 2.328 2.280
120 HB2 ASP 17 2HB ASP 17 -3.773 1.584 4.335
121 HB3 ASP 17 1HB ASP 17 -3.845 3.085 3.433
122 H TRP 18 H TRP 18 -3.465 2.845 0.856
123 HA TRP 18 HA TRP 18 -2.232 0.504 0.208
124 HB2 TRP 18 2HB TRP 18 -3.841 2.062 -1.761
125 HB3 TRP 18 1HB TRP 18 -2.699 0.836 -2.161
126 HD1 TRP 18 HD TRP 18 -6.057 0.947 -0.166
127 HE1 TRP 18 1HE TRP 18 -7.373 -1.182 -0.740
128 HE3 TRP 18 3HE TRP 18 -2.703 -1.173 -3.270
129 HZ2 TRP 18 2HZ TRP 18 -7.023 -3.453 -2.369
130 HZ3 TRP 18 3HZ TRP 18 -3.221 -3.328 -4.351
131 HH2 TRP 18 HH TRP 18 -5.368 -4.421 -3.927
132 H VAL 19 H VAL 19 -0.923 1.158 -1.326
133 HA VAL 19 HA VAL 19 0.259 3.969 -1.434
134 HB VAL 19 HB VAL 19 2.191 1.801 -1.023
135 HG11 VAL 19 1HG1 VAL 19 3.599 3.511 -0.023
136 HG12 VAL 19 2HG1 VAL 19 2.325 4.687 -0.326
137 HG13 VAL 19 3HG1 VAL 19 3.104 3.846 -1.678
138 HG21 VAL 19 3HG2 VAL 19 2.301 1.996 1.276
139 HG22 VAL 19 1HG2 VAL 19 0.693 1.483 0.806
140 HG23 VAL 19 2HG2 VAL 19 0.973 3.179 1.316
141 H GLN 20 H GLN 20 1.919 4.328 -3.284
142 HA GLN 20 HA GLN 20 1.990 2.143 -5.109
143 HB2 GLN 20 2HB GLN 20 0.814 4.720 -5.395
144 HB3 GLN 20 1HB GLN 20 2.393 4.828 -6.088
145 HG2 GLN 20 2HG GLN 20 0.219 2.941 -6.984
146 HG3 GLN 20 1HG GLN 20 0.932 4.338 -7.785
147 HE21 GLN 20 1HE2 GLN 20 0.629 1.535 -8.577
148 HE22 GLN 20 2HE2 GLN 20 2.233 1.065 -9.032
149 H CYS 21 H CYS 21 4.203 1.887 -5.637
150 HA CYS 21 HA CYS 21 6.051 3.498 -4.145
151 HB2 CYS 21 2HB CYS 21 6.448 1.100 -4.549
152 HB3 CYS 21 1HB CYS 21 6.506 1.432 -6.274
153 H ASP 22 H ASP 22 6.487 5.470 -4.892
154 HA ASP 22 HA ASP 22 5.749 6.070 -7.614
155 HB2 ASP 22 2HB ASP 22 6.608 7.786 -5.331
156 HB3 ASP 22 1HB ASP 22 6.277 8.427 -6.927
157 H GLY 23 H GLY 23 9.126 4.660 -6.909
158 HA2 GLY 23 2HA GLY 23 10.164 6.858 -7.964
159 HA3 GLY 23 1HA GLY 23 10.548 5.843 -6.550
160 H GLY 24 H GLY 24 9.491 3.233 -7.985
161 HA2 GLY 24 2HA GLY 24 11.459 3.091 -10.011
162 HA3 GLY 24 1HA GLY 24 11.822 2.228 -8.525
163 H CYS 25 H CYS 25 10.156 0.674 -7.793
164 HA CYS 25 HA CYS 25 9.684 -1.083 -9.943
165 HB2 CYS 25 2HB CYS 25 8.800 -2.704 -8.368
166 HB3 CYS 25 1HB CYS 25 10.186 -1.839 -7.710
167 H ASP 26 H ASP 26 6.907 1.228 -8.401
168 HA ASP 26 HA ASP 26 5.423 1.808 -8.961
169 HB2 ASP 26 2HB ASP 26 4.607 1.972 -11.273
170 HB3 ASP 26 1HB ASP 26 6.296 2.406 -11.133
171 H GLU 27 H GLU 27 5.493 -1.025 -8.000
172 HA GLU 27 HA GLU 27 2.752 -1.531 -8.748
173 HB2 GLU 27 2HB GLU 27 4.697 -3.123 -7.117
174 HB3 GLU 27 1HB GLU 27 3.007 -3.573 -7.294
175 HG2 GLU 27 2HG GLU 27 3.417 -3.566 -9.798
176 HG3 GLU 27 1HG GLU 27 5.129 -3.433 -9.439
177 H TRP 28 H TRP 28 1.497 -2.462 -6.797
178 HA TRP 28 HA TRP 28 1.205 -0.192 -4.882
179 HB2 TRP 28 2HB TRP 28 -0.924 -2.139 -5.806
180 HB3 TRP 28 1HB TRP 28 -1.146 -1.011 -4.490
181 HD1 TRP 28 HD TRP 28 -1.070 -1.213 -8.273
182 HE1 TRP 28 1HE TRP 28 -1.882 0.998 -9.249
183 HE3 TRP 28 3HE TRP 28 -1.309 1.552 -3.986
184 HZ2 TRP 28 2HZ TRP 28 -2.530 3.579 -8.356
185 HZ3 TRP 28 3HZ TRP 28 -2.070 3.902 -4.144
186 HH2 TRP 28 HH TRP 28 -2.677 4.867 -6.267
187 H PHE 29 H PHE 29 0.974 -0.528 -2.701
188 HA PHE 29 HA PHE 29 1.145 -3.313 -1.627
189 HB2 PHE 29 2HB PHE 29 2.381 -1.019 -0.224
190 HB3 PHE 29 1HB PHE 29 2.743 -2.722 -0.119
191 HD1 PHE 29 2HD PHE 29 4.083 -3.726 -1.920
192 HD2 PHE 29 1HD PHE 29 3.525 0.447 -1.551
193 HE1 PHE 29 2HE PHE 29 6.152 -3.310 -3.265
194 HE2 PHE 29 1HE PHE 29 5.486 0.876 -2.796
195 HZ PHE 29 HZ PHE 29 6.844 -0.943 -3.685
196 H HIS 30 H HIS 30 -0.436 -3.402 0.560
197 HA HIS 30 HA HIS 30 -1.654 -1.142 1.172
198 HB2 HIS 30 2HB HIS 30 -0.707 -3.394 2.954
199 HB3 HIS 30 1HB HIS 30 -2.087 -2.339 3.243
200 HD2 HIS 30 2HD HIS 30 -4.462 -3.173 1.922
201 HE1 HIS 30 1HE HIS 30 -2.847 -6.962 0.768
202 HE2 HIS 30 2HE HIS 30 -4.893 -5.447 0.712
203 H GLN 31 H GLN 31 -1.246 -0.172 3.301
204 HA GLN 31 HA GLN 31 1.406 1.003 3.227
205 HB2 GLN 31 2HB GLN 31 -0.767 1.719 5.203
206 HB3 GLN 31 1HB GLN 31 0.678 2.647 4.850
207 HG2 GLN 31 2HG GLN 31 -0.363 2.282 2.429
208 HG3 GLN 31 1HG GLN 31 -1.837 2.494 3.390
209 HE21 GLN 31 1HE2 GLN 31 -0.776 4.208 1.368
210 HE22 GLN 31 2HE2 GLN 31 -0.410 5.728 2.077
211 H VAL 32 H VAL 32 -0.563 -0.506 5.669
212 HA VAL 32 HA VAL 32 1.320 -0.777 7.673
213 HB VAL 32 HB VAL 32 -0.056 -2.482 8.646
214 HG11 VAL 32 1HG1 VAL 32 -0.739 -0.137 8.902
215 HG12 VAL 32 2HG1 VAL 32 -2.168 -1.174 8.811
216 HG13 VAL 32 3HG1 VAL 32 -1.653 -0.259 7.400
217 HG21 VAL 32 3HG2 VAL 32 -2.116 -3.319 7.500
218 HG22 VAL 32 1HG2 VAL 32 -0.617 -3.751 6.661
219 HG23 VAL 32 2HG2 VAL 32 -1.595 -2.437 6.047
220 H CYS 33 H CYS 33 0.888 -2.980 4.837
221 HA CYS 33 HA CYS 33 2.276 -5.067 6.140
222 HB2 CYS 33 2HB CYS 33 2.125 -6.114 3.837
223 HB3 CYS 33 1HB CYS 33 0.504 -5.584 4.380
224 H VAL 34 H VAL 34 3.001 -3.247 3.356
225 HA VAL 34 HA VAL 34 5.701 -3.727 3.397
226 HB VAL 34 HB VAL 34 4.403 -2.737 1.406
227 HG11 VAL 34 1HG1 VAL 34 4.523 -0.415 1.022
228 HG12 VAL 34 2HG1 VAL 34 5.109 -0.176 2.664
229 HG13 VAL 34 3HG1 VAL 34 3.478 -0.792 2.400
230 HG21 VAL 34 3HG2 VAL 34 6.386 -1.837 0.446
231 HG22 VAL 34 1HG2 VAL 34 6.616 -3.310 1.413
232 HG23 VAL 34 2HG2 VAL 34 7.094 -1.735 2.101
233 H GLY 35 H GLY 35 4.209 -0.809 5.492
234 HA2 GLY 35 2HA GLY 35 5.376 -0.741 7.422
235 HA3 GLY 35 1HA GLY 35 6.846 -0.881 6.457
236 H VAL 36 H VAL 36 4.885 0.458 4.815
237 HA VAL 36 HA VAL 36 5.530 3.163 4.781
238 HB VAL 36 HB VAL 36 2.772 2.181 4.075
239 HG11 VAL 36 1HG1 VAL 36 2.724 4.572 4.682
240 HG12 VAL 36 2HG1 VAL 36 2.365 4.109 3.017
241 HG13 VAL 36 3HG1 VAL 36 3.952 4.822 3.382
242 HG21 VAL 36 3HG2 VAL 36 3.697 3.118 1.922
243 HG22 VAL 36 1HG2 VAL 36 4.029 1.420 2.396
244 HG23 VAL 36 2HG2 VAL 36 5.251 2.684 2.657
245 H SER 37 H SER 37 5.613 3.711 6.652
246 HA SER 37 HA SER 37 3.815 4.623 8.562
247 HB2 SER 37 2HB SER 37 5.853 6.563 7.466
248 HB3 SER 37 1HB SER 37 5.055 6.669 9.028
249 HG SER 37 HG SER 37 6.222 4.240 8.688
250 HA PRO 38 HA PRO 38 0.658 6.302 5.868
251 HB2 PRO 38 2HB PRO 38 -0.700 7.649 7.901
252 HB3 PRO 38 1HB PRO 38 -0.968 5.953 7.451
253 HG2 PRO 38 2HG PRO 38 0.665 7.105 9.676
254 HG3 PRO 38 1HG PRO 38 -0.325 5.633 9.639
255 HD2 PRO 38 2HD PRO 38 2.369 5.574 9.468
256 HD3 PRO 38 1HD PRO 38 1.351 4.396 8.582
257 H GLU 39 H GLU 39 2.523 8.108 8.128
258 HA GLU 39 HA GLU 39 1.870 10.700 7.313
259 HB2 GLU 39 2HB GLU 39 3.090 10.086 9.427
260 HB3 GLU 39 1HB GLU 39 4.490 9.684 8.451
261 HG2 GLU 39 2HG GLU 39 4.851 11.804 9.356
262 HG3 GLU 39 1HG GLU 39 4.506 12.053 7.645
263 H MET 40 H MET 40 4.821 8.481 6.175
264 HA MET 40 HA MET 40 5.739 10.348 4.606
265 HB2 MET 40 2HB MET 40 5.966 7.319 4.907
266 HB3 MET 40 1HB MET 40 6.903 8.251 3.712
267 HG2 MET 40 2HG MET 40 6.912 8.567 6.703
268 HG3 MET 40 1HG MET 40 8.161 7.780 5.719
269 HE1 MET 40 3HE MET 40 9.830 9.080 4.099
270 HE2 MET 40 1HE MET 40 9.693 10.795 3.741
271 HE3 MET 40 2HE MET 40 8.439 9.690 3.203
272 H ALA 41 H ALA 41 3.894 7.508 3.817
273 HA ALA 41 HA ALA 41 3.594 7.950 1.113
274 HB1 ALA 41 1HB ALA 41 2.910 5.807 2.055
275 HB2 ALA 41 2HB ALA 41 1.642 6.531 1.046
276 HB3 ALA 41 3HB ALA 41 1.549 6.656 2.802
277 H GLU 42 H GLU 42 1.509 9.423 3.551
278 HA GLU 42 HA GLU 42 0.027 10.471 1.358
279 HB2 GLU 42 2HB GLU 42 -0.164 10.488 4.229
280 HB3 GLU 42 1HB GLU 42 -1.253 11.638 3.357
281 HG2 GLU 42 2HG GLU 42 -1.875 9.386 2.111
282 HG3 GLU 42 1HG GLU 42 -1.171 8.629 3.532
283 H ASN 43 H ASN 43 2.748 11.234 2.954
284 HA ASN 43 HA ASN 43 2.510 14.066 2.438
285 HB2 ASN 43 2HB ASN 43 4.531 12.507 3.901
286 HB3 ASN 43 1HB ASN 43 5.055 14.004 3.143
287 HD21 ASN 43 1HD2 ASN 43 3.003 12.603 5.493
288 HD22 ASN 43 2HD2 ASN 43 2.636 13.999 6.408
289 H GLU 44 H GLU 44 5.405 11.861 1.236
290 HA GLU 44 HA GLU 44 5.116 13.349 -1.137
291 HB2 GLU 44 2HB GLU 44 7.628 13.184 0.527
292 HB3 GLU 44 1HB GLU 44 7.470 13.877 -1.066
293 HG2 GLU 44 2HG GLU 44 6.096 15.675 -0.204
294 HG3 GLU 44 1HG GLU 44 6.140 14.954 1.406
295 H ASP 45 H ASP 45 5.562 12.157 -2.570
296 HA ASP 45 HA ASP 45 5.797 9.906 -3.767
297 HB2 ASP 45 2HB ASP 45 8.500 11.119 -3.489
298 HB3 ASP 45 1HB ASP 45 8.053 9.928 -4.690
299 H TYR 46 H TYR 46 5.635 8.115 -2.787
300 HA TYR 46 HA TYR 46 7.700 7.380 -0.834
301 HB2 TYR 46 2HB TYR 46 5.441 7.195 0.086
302 HB3 TYR 46 1HB TYR 46 5.032 5.986 -1.144
303 HD1 TYR 46 2HD TYR 46 7.324 6.630 1.721
304 HD2 TYR 46 1HD TYR 46 5.578 3.795 -0.844
305 HE1 TYR 46 2HE TYR 46 8.299 4.837 3.092
306 HE2 TYR 46 1HE TYR 46 6.553 1.941 0.438
307 HH TYR 46 HH TYR 46 8.431 1.597 2.060
308 H ILE 47 H ILE 47 9.432 6.508 -1.589
309 HA ILE 47 HA ILE 47 9.387 4.585 -3.690
310 HB ILE 47 HB ILE 47 11.553 5.374 -1.749
311 HG12 ILE 47 2HG1 ILE 47 10.327 7.331 -2.755
312 HG13 ILE 47 1HG1 ILE 47 12.094 7.387 -3.000
313 HG21 ILE 47 1HG2 ILE 47 13.078 4.883 -3.599
314 HG22 ILE 47 2HG2 ILE 47 11.699 4.463 -4.622
315 HG23 ILE 47 3HG2 ILE 47 12.077 3.476 -3.225
316 HD11 ILE 47 3HD1 ILE 47 10.813 8.190 -4.834
317 HD12 ILE 47 1HD1 ILE 47 9.852 6.709 -4.886
318 HD13 ILE 47 2HD1 ILE 47 11.596 6.677 -5.286
319 H CYS 48 H CYS 48 9.699 2.504 -3.288
320 HA CYS 48 HA CYS 48 9.080 1.756 -0.514
321 HB2 CYS 48 2HB CYS 48 8.482 -0.398 -1.161
322 HB3 CYS 48 1HB CYS 48 7.892 0.616 -2.466
323 H ILE 49 H ILE 49 10.102 0.340 0.488
324 HA ILE 49 HA ILE 49 12.569 0.009 1.286
325 HB ILE 49 HB ILE 49 12.221 -2.490 1.471
326 HG12 ILE 49 2HG1 ILE 49 9.406 -1.911 1.034
327 HG13 ILE 49 1HG1 ILE 49 10.258 -2.153 -0.442
328 HG21 ILE 49 1HG2 ILE 49 10.240 -0.545 2.448
329 HG22 ILE 49 2HG2 ILE 49 11.818 -0.855 3.232
330 HG23 ILE 49 3HG2 ILE 49 10.541 -2.108 3.205
331 HD11 ILE 49 3HD1 ILE 49 10.967 -4.266 0.269
332 HD12 ILE 49 1HD1 ILE 49 9.221 -4.189 0.329
333 HD13 ILE 49 2HD1 ILE 49 10.147 -4.125 1.857
334 H ASN 50 H ASN 50 11.494 -2.118 -1.359
335 HA ASN 50 HA ASN 50 14.041 -3.204 -1.951
336 HB2 ASN 50 2HB ASN 50 11.549 -3.174 -3.646
337 HB3 ASN 50 1HB ASN 50 12.985 -4.103 -4.050
338 HD21 ASN 50 1HD2 ASN 50 10.317 -5.064 -3.505
339 HD22 ASN 50 2HD2 ASN 50 10.490 -6.116 -2.142
340 H CYS 51 H CYS 51 12.320 -0.781 -3.152
341 HA CYS 51 HA CYS 51 14.211 -0.194 -5.253
342 HB2 CYS 51 2HB CYS 51 12.010 1.646 -4.278
343 HB3 CYS 51 1HB CYS 51 13.042 2.084 -5.629
344 H ALA 52 H ALA 52 13.598 2.201 -2.479
345 HA ALA 52 HA ALA 52 15.937 3.100 -2.094
346 HB1 ALA 52 3HB ALA 52 14.105 1.855 -0.096
347 HB2 ALA 52 1HB ALA 52 14.014 3.490 -0.717
348 HB3 ALA 52 2HB ALA 52 15.360 3.038 0.334
349 HA ALA 301 HA ALA 301 3.623 9.732 -3.655
350 HB1 ALA 301 2HB ALA 301 4.369 8.826 -1.526
351 HB2 ALA 301 3HB ALA 301 3.339 7.681 -2.385
352 HB3 ALA 301 1HB ALA 301 2.694 8.593 -1.019
353 H ARG 302 H ARG 302 2.333 8.216 -4.738
354 HA ARG 302 HA ARG 302 -0.429 8.977 -4.675
355 HB2 ARG 302 2HB ARG 302 0.967 7.023 -6.521
356 HB3 ARG 302 1HB ARG 302 -0.745 7.438 -6.622
357 HG2 ARG 302 2HG ARG 302 -0.049 9.839 -6.895
358 HG3 ARG 302 1HG ARG 302 1.602 9.254 -7.040
359 HD2 ARG 302 2HD ARG 302 -0.684 8.429 -8.804
360 HD3 ARG 302 1HD ARG 302 0.498 9.665 -9.210
361 HE ARG 302 HE ARG 302 1.977 7.462 -8.654
362 HH11 ARG 302 1HH1 ARG 302 -0.744 8.124 -10.841
363 HH12 ARG 302 2HH1 ARG 302 -0.201 7.086 -12.082
364 HH21 ARG 302 1HH2 ARG 302 2.737 6.048 -10.380
365 HH22 ARG 302 2HH2 ARG 302 1.885 5.898 -11.834
366 H THR 303 H THR 303 -1.883 8.140 -3.533
367 HA THR 303 HA THR 303 -1.477 5.469 -2.447
368 HB THR 303 HB THR 303 -2.616 6.499 -0.386
369 HG1 THR 303 1HG THR 303 -1.466 8.923 -1.208
370 HG21 THR 303 3HG2 THR 303 -0.472 7.297 0.500
371 HG22 THR 303 1HG2 THR 303 0.158 7.357 -1.158
372 HG23 THR 303 2HG2 THR 303 -0.301 5.803 -0.468
373 H M3L 304 H M3L 304 -3.630 4.661 -1.517
374 HA M3L 304 HA M3L 304 -5.995 5.929 -2.591
375 HB2 M3L 304 1HB M3L 304 -5.567 4.537 -4.568
376 HB3 M3L 304 2HB M3L 304 -6.839 3.812 -3.540
377 HG2 M3L 304 1HG M3L 304 -5.417 2.320 -2.593
378 HG3 M3L 304 2HG M3L 304 -4.063 2.823 -3.604
379 HD2 M3L 304 1HD M3L 304 -6.612 1.442 -4.504
380 HD3 M3L 304 2HD M3L 304 -4.935 0.844 -4.550
381 HE2 M3L 304 1HE M3L 304 -4.329 2.529 -6.123
382 HE3 M3L 304 2HE M3L 304 -6.022 3.047 -6.128
383 HM11 M3L 304 1HM1 M3L 304 -5.094 -0.608 -5.934
384 HM12 M3L 304 2HM1 M3L 304 -3.837 0.032 -6.928
385 HM13 M3L 304 3HM1 M3L 304 -5.113 -0.848 -7.646
386 HM21 M3L 304 1HM2 M3L 304 -6.128 2.196 -8.928
387 HM22 M3L 304 2HM2 M3L 304 -4.820 1.061 -9.062
388 HM23 M3L 304 3HM2 M3L 304 -4.586 2.556 -8.225
389 HM31 M3L 304 3HM3 M3L 304 -7.362 0.060 -6.372
390 HM32 M3L 304 1HM3 M3L 304 -7.441 0.451 -8.049
391 HM33 M3L 304 2HM3 M3L 304 -7.738 1.667 -6.866
392 H GLN 305 H GLN 305 -7.889 4.573 -2.079
393 HA GLN 305 HA GLN 305 -7.651 2.889 0.258
394 HB2 GLN 305 2HB GLN 305 -8.009 5.180 1.201
395 HB3 GLN 305 1HB GLN 305 -9.425 5.368 0.181
396 HG2 GLN 305 2HG GLN 305 -10.515 3.515 1.348
397 HG3 GLN 305 1HG GLN 305 -9.098 3.342 2.388
398 HE21 GLN 305 1HE2 GLN 305 -11.917 5.254 1.638
399 HE22 GLN 305 2HE2 GLN 305 -11.871 6.198 3.070
400 H THR 306 H THR 306 -8.466 1.177 -0.764
401 HA THR 306 HA THR 306 -11.096 1.495 -1.880
402 HB THR 306 HB THR 306 -9.458 1.562 -3.803
403 HG1 THR 306 1HG THR 306 -11.139 0.774 -4.692
404 HG21 THR 306 3HG2 THR 306 -7.728 0.083 -2.879
405 HG22 THR 306 1HG2 THR 306 -8.300 -0.527 -4.430
406 HG23 THR 306 2HG2 THR 306 -8.857 -1.257 -2.928
407 H ALA 307 H ALA 307 -12.257 -0.562 -1.941
408 HA ALA 307 HA ALA 307 -11.776 -1.847 0.496
409 HB1 ALA 307 1HB ALA 307 -14.009 -1.405 -0.272
410 HB2 ALA 307 2HB ALA 307 -13.792 -3.117 0.039
411 HB3 ALA 307 3HB ALA 307 -13.819 -2.515 -1.638
412 H ARG 308 H ARG 308 -12.200 -3.492 -2.644
413 HA ARG 308 HA ARG 308 -9.849 -5.070 -2.025
414 HB2 ARG 308 2HB ARG 308 -12.556 -6.337 -2.498
415 HB3 ARG 308 1HB ARG 308 -11.031 -7.217 -2.484
416 HG2 ARG 308 2HG ARG 308 -10.682 -6.471 -0.126
417 HG3 ARG 308 1HG ARG 308 -12.255 -5.704 -0.184
418 HD2 ARG 308 2HD ARG 308 -11.740 -8.641 -0.590
419 HD3 ARG 308 1HD ARG 308 -12.307 -7.896 0.913
420 HE ARG 308 HE ARG 308 -13.954 -7.410 -1.400
421 HH11 ARG 308 1HH1 ARG 308 -13.360 -9.433 1.433
422 HH12 ARG 308 2HH1 ARG 308 -14.879 -10.193 1.401
423 HH21 ARG 308 1HH2 ARG 308 -16.057 -8.412 -1.434
424 HH22 ARG 308 2HH2 ARG 308 -16.451 -9.621 -0.282
425 H LYS 309 H LYS 309 -8.715 -5.777 -3.752
426 HA LYS 309 HA LYS 309 -9.183 -4.551 -6.253
427 HB2 LYS 309 2HB LYS 309 -6.966 -5.081 -5.382
428 HB3 LYS 309 1HB LYS 309 -7.327 -6.800 -5.485
429 HG2 LYS 309 2HG LYS 309 -7.451 -6.614 -7.915
430 HG3 LYS 309 1HG LYS 309 -7.101 -4.888 -7.809
431 HD2 LYS 309 2HD LYS 309 -4.971 -5.439 -6.661
432 HD3 LYS 309 1HD LYS 309 -5.315 -7.141 -6.895
433 HE2 LYS 309 2HE LYS 309 -5.012 -5.138 -9.130
434 HE3 LYS 309 1HE LYS 309 -3.764 -6.275 -8.610
435 HZ1 LYS 309 3HZ LYS 309 -4.918 -7.107 -10.533
436 HZ2 LYS 309 1HZ LYS 309 -6.416 -7.000 -9.757
437 HZ3 LYS 309 2HZ LYS 309 -5.290 -8.094 -9.203
Start of MODEL 17
1 HA SER 1 HA SER 1 -7.128 -8.329 -1.132
2 HB2 SER 1 2HB SER 1 -6.708 -10.791 -1.433
3 HB3 SER 1 1HB SER 1 -8.002 -10.201 -2.463
4 HG SER 1 HG SER 1 -6.763 -11.435 -3.734
5 H VAL 2 H VAL 2 -4.466 -9.041 -3.355
6 HA VAL 2 HA VAL 2 -2.650 -8.872 -1.076
7 HB VAL 2 HB VAL 2 -1.906 -10.130 -3.706
8 HG11 VAL 2 1HG1 VAL 2 -0.724 -10.430 -0.957
9 HG12 VAL 2 2HG1 VAL 2 -0.053 -9.554 -2.304
10 HG13 VAL 2 3HG1 VAL 2 -0.206 -11.311 -2.390
11 HG21 VAL 2 3HG2 VAL 2 -3.843 -11.387 -2.948
12 HG22 VAL 2 1HG2 VAL 2 -3.119 -11.597 -1.355
13 HG23 VAL 2 2HG2 VAL 2 -2.378 -12.349 -2.762
14 H CYS 3 H CYS 3 -0.849 -7.587 -1.251
15 HA CYS 3 HA CYS 3 -0.670 -5.664 -3.461
16 HB2 CYS 3 2HB CYS 3 0.375 -4.298 -1.907
17 HB3 CYS 3 1HB CYS 3 -0.919 -5.030 -0.941
18 H ALA 4 H ALA 4 1.835 -5.176 -3.592
19 HA ALA 4 HA ALA 4 3.083 -7.871 -3.427
20 HB1 ALA 4 1HB ALA 4 4.098 -5.675 -5.129
21 HB2 ALA 4 2HB ALA 4 3.033 -7.000 -5.689
22 HB3 ALA 4 3HB ALA 4 4.675 -7.341 -5.101
23 H ALA 5 H ALA 5 3.219 -6.584 -1.136
24 HA ALA 5 HA ALA 5 6.076 -6.253 -0.806
25 HB1 ALA 5 1HB ALA 5 3.909 -6.394 1.323
26 HB2 ALA 5 2HB ALA 5 4.633 -4.930 0.653
27 HB3 ALA 5 3HB ALA 5 5.604 -6.030 1.621
28 H GLN 6 H GLN 6 7.512 -7.662 -0.118
29 HA GLN 6 HA GLN 6 7.454 -10.301 -0.643
30 HB2 GLN 6 2HB GLN 6 9.115 -9.000 1.517
31 HB3 GLN 6 1HB GLN 6 9.443 -10.558 0.785
32 HG2 GLN 6 2HG GLN 6 9.775 -9.516 -1.374
33 HG3 GLN 6 1HG GLN 6 9.377 -7.938 -0.693
34 HE21 GLN 6 1HE2 GLN 6 11.709 -10.503 -0.842
35 HE22 GLN 6 2HE2 GLN 6 13.006 -9.587 -0.147
36 H ASN 7 H ASN 7 6.946 -9.101 2.643
37 HA ASN 7 HA ASN 7 5.673 -11.717 3.180
38 HB2 ASN 7 2HB ASN 7 7.820 -11.502 4.415
39 HB3 ASN 7 1HB ASN 7 7.202 -10.086 5.243
40 HD21 ASN 7 1HD2 ASN 7 7.047 -13.538 4.941
41 HD22 ASN 7 2HD2 ASN 7 6.182 -13.841 6.405
42 H CYS 8 H CYS 8 3.872 -10.547 2.317
43 HA CYS 8 HA CYS 8 2.694 -8.761 4.252
44 HB2 CYS 8 2HB CYS 8 2.623 -8.007 1.805
45 HB3 CYS 8 1HB CYS 8 1.608 -9.397 1.529
46 H GLN 9 H GLN 9 0.832 -9.010 4.879
47 HA GLN 9 HA GLN 9 -0.533 -11.665 4.895
48 HB2 GLN 9 2HB GLN 9 -1.115 -9.425 6.866
49 HB3 GLN 9 1HB GLN 9 -1.916 -10.982 6.846
50 HG2 GLN 9 2HG GLN 9 0.281 -12.062 7.261
51 HG3 GLN 9 1HG GLN 9 0.983 -10.443 7.430
52 HE21 GLN 9 1HE2 GLN 9 -1.107 -12.838 8.827
53 HE22 GLN 9 2HE2 GLN 9 -1.226 -12.133 10.386
54 H ARG 10 H ARG 10 -2.748 -11.887 4.194
55 HA ARG 10 HA ARG 10 -3.618 -9.813 2.416
56 HB2 ARG 10 2HB ARG 10 -4.503 -12.684 2.839
57 HB3 ARG 10 1HB ARG 10 -5.114 -11.616 1.595
58 HG2 ARG 10 2HG ARG 10 -2.866 -11.556 0.590
59 HG3 ARG 10 1HG ARG 10 -2.312 -12.662 1.835
60 HD2 ARG 10 2HD ARG 10 -4.561 -13.295 -0.083
61 HD3 ARG 10 1HD ARG 10 -2.892 -13.800 -0.326
62 HE ARG 10 HE ARG 10 -3.403 -14.806 2.085
63 HH11 ARG 10 1HH1 ARG 10 -5.371 -14.998 -0.891
64 HH12 ARG 10 2HH1 ARG 10 -5.964 -16.546 -0.536
65 HH21 ARG 10 1HH2 ARG 10 -4.233 -16.958 2.501
66 HH22 ARG 10 2HH2 ARG 10 -5.319 -17.678 1.409
67 HA PRO 11 HA PRO 11 -6.473 -9.169 5.873
68 HB2 PRO 11 2HB PRO 11 -7.156 -6.634 5.260
69 HB3 PRO 11 1HB PRO 11 -5.640 -7.038 6.082
70 HG2 PRO 11 2HG PRO 11 -6.106 -6.278 3.240
71 HG3 PRO 11 1HG PRO 11 -4.712 -5.948 4.264
72 HD2 PRO 11 2HD PRO 11 -4.827 -7.969 2.328
73 HD3 PRO 11 1HD PRO 11 -3.690 -7.876 3.671
74 H CYS 12 H CYS 12 -7.249 -7.765 2.702
75 HA CYS 12 HA CYS 12 -9.089 -7.644 1.434
76 HB2 CYS 12 2HB CYS 12 -9.644 -10.356 2.652
77 HB3 CYS 12 1HB CYS 12 -10.383 -9.734 1.182
78 HG CYS 12 HG CYS 12 -7.853 -11.564 1.436
79 H LYS 13 H LYS 13 -9.179 -6.731 4.223
80 HA LYS 13 HA LYS 13 -11.711 -7.169 5.382
81 HB2 LYS 13 2HB LYS 13 -9.651 -6.309 6.631
82 HB3 LYS 13 1HB LYS 13 -9.866 -4.761 5.843
83 HG2 LYS 13 2HG LYS 13 -11.958 -4.439 6.943
84 HG3 LYS 13 1HG LYS 13 -11.819 -6.029 7.706
85 HD2 LYS 13 2HD LYS 13 -9.849 -5.317 8.885
86 HD3 LYS 13 1HD LYS 13 -9.853 -3.763 8.028
87 HE2 LYS 13 2HE LYS 13 -11.951 -3.254 8.935
88 HE3 LYS 13 1HE LYS 13 -12.051 -4.764 9.838
89 HZ1 LYS 13 3HZ LYS 13 -10.163 -2.487 10.321
90 HZ2 LYS 13 1HZ LYS 13 -10.006 -4.014 11.061
91 HZ3 LYS 13 2HZ LYS 13 -11.368 -3.052 11.300
92 H ASP 14 H ASP 14 -13.123 -4.981 5.864
93 HA ASP 14 HA ASP 14 -14.547 -4.557 3.532
94 HB2 ASP 14 2HB ASP 14 -14.598 -3.128 6.177
95 HB3 ASP 14 1HB ASP 14 -15.760 -2.856 4.875
96 H LYS 15 H LYS 15 -11.890 -2.724 4.923
97 HA LYS 15 HA LYS 15 -11.610 -1.264 2.536
98 HB2 LYS 15 2HB LYS 15 -12.545 0.070 5.058
99 HB3 LYS 15 1HB LYS 15 -11.495 0.924 3.954
100 HG2 LYS 15 2HG LYS 15 -13.106 0.898 2.208
101 HG3 LYS 15 1HG LYS 15 -14.112 -0.279 3.056
102 HD2 LYS 15 2HD LYS 15 -13.512 2.467 4.120
103 HD3 LYS 15 1HD LYS 15 -14.900 2.113 3.092
104 HE2 LYS 15 2HE LYS 15 -14.330 0.591 5.603
105 HE3 LYS 15 1HE LYS 15 -15.362 2.045 5.594
106 HZ1 LYS 15 3HZ LYS 15 -15.839 -0.498 4.071
107 HZ2 LYS 15 1HZ LYS 15 -16.796 0.893 4.056
108 HZ3 LYS 15 2HZ LYS 15 -16.639 0.005 5.467
109 H VAL 16 H VAL 16 -9.534 -1.292 2.199
110 HA VAL 16 HA VAL 16 -7.664 -0.905 4.425
111 HB VAL 16 HB VAL 16 -6.109 -2.631 3.587
112 HG11 VAL 16 1HG1 VAL 16 -7.307 -4.655 4.256
113 HG12 VAL 16 2HG1 VAL 16 -8.825 -3.774 4.117
114 HG13 VAL 16 3HG1 VAL 16 -7.645 -3.301 5.344
115 HG21 VAL 16 3HG2 VAL 16 -6.808 -4.292 1.902
116 HG22 VAL 16 1HG2 VAL 16 -6.742 -2.640 1.248
117 HG23 VAL 16 2HG2 VAL 16 -8.306 -3.391 1.650
118 H ASP 17 H ASP 17 -5.756 0.111 3.894
119 HA ASP 17 HA ASP 17 -5.974 1.658 1.420
120 HB2 ASP 17 2HB ASP 17 -4.485 2.342 3.966
121 HB3 ASP 17 1HB ASP 17 -4.439 3.300 2.494
122 H TRP 18 H TRP 18 -4.378 2.088 0.105
123 HA TRP 18 HA TRP 18 -2.142 0.142 0.043
124 HB2 TRP 18 2HB TRP 18 -3.766 1.370 -2.118
125 HB3 TRP 18 1HB TRP 18 -2.492 0.241 -2.438
126 HD1 TRP 18 HD TRP 18 -5.830 0.314 -0.506
127 HE1 TRP 18 1HE TRP 18 -7.017 -1.967 -0.820
128 HE3 TRP 18 3HE TRP 18 -2.406 -1.916 -3.234
129 HZ2 TRP 18 2HZ TRP 18 -6.525 -4.391 -2.152
130 HZ3 TRP 18 3HZ TRP 18 -2.750 -4.240 -4.088
131 HH2 TRP 18 HH TRP 18 -4.791 -5.425 -3.562
132 H VAL 19 H VAL 19 -0.195 0.934 -1.331
133 HA VAL 19 HA VAL 19 0.059 3.837 -1.605
134 HB VAL 19 HB VAL 19 2.297 2.140 -0.902
135 HG11 VAL 19 1HG1 VAL 19 1.805 5.013 -0.311
136 HG12 VAL 19 2HG1 VAL 19 2.872 4.303 -1.514
137 HG13 VAL 19 3HG1 VAL 19 3.237 4.126 0.202
138 HG21 VAL 19 3HG2 VAL 19 2.211 2.426 1.470
139 HG22 VAL 19 1HG2 VAL 19 0.904 1.448 0.840
140 HG23 VAL 19 2HG2 VAL 19 0.565 3.114 1.366
141 H GLN 20 H GLN 20 1.016 4.113 -3.574
142 HA GLN 20 HA GLN 20 2.163 1.721 -4.884
143 HB2 GLN 20 2HB GLN 20 0.517 3.629 -5.891
144 HB3 GLN 20 1HB GLN 20 2.070 4.244 -6.385
145 HG2 GLN 20 2HG GLN 20 2.681 2.117 -7.444
146 HG3 GLN 20 1HG GLN 20 1.136 1.441 -6.975
147 HE21 GLN 20 1HE2 GLN 20 2.173 1.534 -9.543
148 HE22 GLN 20 2HE2 GLN 20 1.128 2.475 -10.529
149 H CYS 21 H CYS 21 4.453 1.574 -5.444
150 HA CYS 21 HA CYS 21 6.066 3.499 -4.142
151 HB2 CYS 21 2HB CYS 21 6.652 1.040 -4.370
152 HB3 CYS 21 1HB CYS 21 6.889 1.346 -6.054
153 H ASP 22 H ASP 22 7.044 5.235 -4.964
154 HA ASP 22 HA ASP 22 6.650 5.859 -7.820
155 HB2 ASP 22 2HB ASP 22 7.490 7.643 -5.527
156 HB3 ASP 22 1HB ASP 22 7.163 8.175 -7.177
157 H GLY 23 H GLY 23 8.793 4.165 -6.383
158 HA2 GLY 23 2HA GLY 23 11.235 5.615 -7.149
159 HA3 GLY 23 1HA GLY 23 11.190 4.185 -6.144
160 H GLY 24 H GLY 24 9.208 3.978 -8.766
161 HA2 GLY 24 2HA GLY 24 9.756 3.445 -11.099
162 HA3 GLY 24 1HA GLY 24 11.280 2.785 -10.529
163 H CYS 25 H CYS 25 9.403 1.663 -8.350
164 HA CYS 25 HA CYS 25 9.141 -0.962 -9.490
165 HB2 CYS 25 2HB CYS 25 8.044 -0.022 -6.853
166 HB3 CYS 25 1HB CYS 25 8.533 -1.642 -7.326
167 H ASP 26 H ASP 26 7.092 1.727 -8.745
168 HA ASP 26 HA ASP 26 4.854 2.099 -8.556
169 HB2 ASP 26 2HB ASP 26 5.080 0.558 -11.139
170 HB3 ASP 26 1HB ASP 26 3.632 1.438 -10.668
171 H GLU 27 H GLU 27 5.647 -0.417 -7.282
172 HA GLU 27 HA GLU 27 3.481 -2.273 -7.684
173 HB2 GLU 27 2HB GLU 27 5.589 -2.143 -5.518
174 HB3 GLU 27 1HB GLU 27 4.568 -3.522 -5.881
175 HG2 GLU 27 2HG GLU 27 5.620 -3.787 -8.041
176 HG3 GLU 27 1HG GLU 27 6.558 -2.329 -7.794
177 H TRP 28 H TRP 28 1.687 -2.507 -6.404
178 HA TRP 28 HA TRP 28 1.144 -0.363 -4.557
179 HB2 TRP 28 2HB TRP 28 -0.553 -2.510 -5.802
180 HB3 TRP 28 1HB TRP 28 -1.105 -1.601 -4.418
181 HD1 TRP 28 HD TRP 28 -0.933 -1.407 -8.174
182 HE1 TRP 28 1HE TRP 28 -1.856 0.829 -8.957
183 HE3 TRP 28 3HE TRP 28 -1.167 0.985 -3.688
184 HZ2 TRP 28 2HZ TRP 28 -2.597 3.290 -7.846
185 HZ3 TRP 28 3HZ TRP 28 -2.025 3.270 -3.631
186 HH2 TRP 28 HH TRP 28 -2.706 4.417 -5.683
187 H PHE 29 H PHE 29 1.307 -0.519 -2.527
188 HA PHE 29 HA PHE 29 1.658 -3.154 -1.163
189 HB2 PHE 29 2HB PHE 29 2.466 -0.490 -0.141
190 HB3 PHE 29 1HB PHE 29 2.956 -2.080 0.424
191 HD1 PHE 29 2HD PHE 29 4.281 -3.461 -1.555
192 HD2 PHE 29 1HD PHE 29 3.912 0.768 -1.186
193 HE1 PHE 29 2HE PHE 29 6.344 -3.157 -2.829
194 HE2 PHE 29 1HE PHE 29 5.938 1.068 -2.415
195 HZ PHE 29 HZ PHE 29 7.190 -0.847 -3.255
196 H HIS 30 H HIS 30 1.035 -2.966 1.216
197 HA HIS 30 HA HIS 30 -1.279 -1.138 1.589
198 HB2 HIS 30 2HB HIS 30 -0.376 -3.446 3.360
199 HB3 HIS 30 1HB HIS 30 -1.769 -2.424 3.642
200 HD2 HIS 30 2HD HIS 30 -4.045 -3.136 2.092
201 HE1 HIS 30 1HE HIS 30 -2.430 -6.968 1.143
202 HE2 HIS 30 2HE HIS 30 -4.399 -5.392 0.836
203 H GLN 31 H GLN 31 -1.069 0.465 3.151
204 HA GLN 31 HA GLN 31 1.299 1.668 3.722
205 HB2 GLN 31 2HB GLN 31 -1.109 1.633 5.553
206 HB3 GLN 31 1HB GLN 31 0.164 2.853 5.441
207 HG2 GLN 31 2HG GLN 31 -1.027 2.225 2.972
208 HG3 GLN 31 1HG GLN 31 -2.242 2.975 4.084
209 HE21 GLN 31 1HE2 GLN 31 -1.407 4.035 1.590
210 HE22 GLN 31 2HE2 GLN 31 -0.476 5.450 1.897
211 H VAL 32 H VAL 32 -0.440 -0.638 5.848
212 HA VAL 32 HA VAL 32 1.423 -0.441 7.953
213 HB VAL 32 HB VAL 32 0.230 -2.328 8.955
214 HG11 VAL 32 1HG1 VAL 32 -1.604 -0.249 7.776
215 HG12 VAL 32 2HG1 VAL 32 -0.655 -0.078 9.250
216 HG13 VAL 32 3HG1 VAL 32 -1.971 -1.259 9.181
217 HG21 VAL 32 3HG2 VAL 32 -0.242 -3.609 6.914
218 HG22 VAL 32 1HG2 VAL 32 -1.380 -2.366 6.406
219 HG23 VAL 32 2HG2 VAL 32 -1.723 -3.329 7.845
220 H CYS 33 H CYS 33 1.344 -2.557 5.093
221 HA CYS 33 HA CYS 33 2.951 -4.526 6.460
222 HB2 CYS 33 2HB CYS 33 2.744 -5.842 4.343
223 HB3 CYS 33 1HB CYS 33 1.177 -5.312 4.914
224 H VAL 34 H VAL 34 3.425 -1.813 4.241
225 HA VAL 34 HA VAL 34 6.068 -2.756 3.703
226 HB VAL 34 HB VAL 34 4.362 -2.160 1.898
227 HG11 VAL 34 1HG1 VAL 34 3.348 -0.171 2.788
228 HG12 VAL 34 2HG1 VAL 34 4.143 0.119 1.245
229 HG13 VAL 34 3HG1 VAL 34 4.933 0.613 2.727
230 HG21 VAL 34 3HG2 VAL 34 7.014 -0.883 2.012
231 HG22 VAL 34 1HG2 VAL 34 6.018 -1.098 0.532
232 HG23 VAL 34 2HG2 VAL 34 6.512 -2.526 1.482
233 H GLY 35 H GLY 35 4.908 -1.409 6.182
234 HA2 GLY 35 2HA GLY 35 5.651 0.053 7.823
235 HA3 GLY 35 1HA GLY 35 7.155 0.072 6.934
236 H VAL 36 H VAL 36 4.006 1.330 5.840
237 HA VAL 36 HA VAL 36 5.209 3.998 5.602
238 HB VAL 36 HB VAL 36 2.514 3.006 4.584
239 HG11 VAL 36 1HG1 VAL 36 2.730 5.487 4.901
240 HG12 VAL 36 2HG1 VAL 36 2.363 4.775 3.327
241 HG13 VAL 36 3HG1 VAL 36 3.999 5.370 3.609
242 HG21 VAL 36 3HG2 VAL 36 5.121 3.138 3.240
243 HG22 VAL 36 1HG2 VAL 36 3.572 3.544 2.468
244 HG23 VAL 36 2HG2 VAL 36 3.758 1.941 3.195
245 H SER 37 H SER 37 4.238 5.831 6.819
246 HA SER 37 HA SER 37 2.093 5.072 8.538
247 HB2 SER 37 2HB SER 37 3.998 7.448 8.547
248 HB3 SER 37 1HB SER 37 2.834 7.023 9.813
249 HG SER 37 HG SER 37 4.176 4.929 9.792
250 HA PRO 38 HA PRO 38 -0.578 7.141 5.607
251 HB2 PRO 38 2HB PRO 38 -1.824 8.953 7.409
252 HB3 PRO 38 1HB PRO 38 -2.424 7.361 6.936
253 HG2 PRO 38 2HG PRO 38 -0.842 8.148 9.344
254 HG3 PRO 38 1HG PRO 38 -2.109 6.912 9.185
255 HD2 PRO 38 2HD PRO 38 0.433 6.191 9.364
256 HD3 PRO 38 1HD PRO 38 -0.645 5.372 8.209
257 H GLU 39 H GLU 39 1.014 9.237 7.918
258 HA GLU 39 HA GLU 39 0.817 11.719 6.594
259 HB2 GLU 39 2HB GLU 39 3.107 10.776 8.293
260 HB3 GLU 39 1HB GLU 39 2.620 12.436 7.973
261 HG2 GLU 39 2HG GLU 39 0.591 12.106 9.141
262 HG3 GLU 39 1HG GLU 39 0.944 10.430 9.456
263 H MET 40 H MET 40 3.025 9.131 6.321
264 HA MET 40 HA MET 40 5.113 10.632 4.910
265 HB2 MET 40 2HB MET 40 4.859 7.644 5.270
266 HB3 MET 40 1HB MET 40 6.248 8.465 4.560
267 HG2 MET 40 2HG MET 40 5.258 8.743 7.395
268 HG3 MET 40 1HG MET 40 6.655 7.801 6.877
269 HE1 MET 40 3HE MET 40 7.971 9.807 4.665
270 HE2 MET 40 1HE MET 40 8.919 8.936 5.874
271 HE3 MET 40 2HE MET 40 9.123 10.656 5.720
272 H ALA 41 H ALA 41 2.789 8.072 3.944
273 HA ALA 41 HA ALA 41 3.626 8.248 1.213
274 HB1 ALA 41 1HB ALA 41 1.762 6.808 0.743
275 HB2 ALA 41 2HB ALA 41 1.212 7.049 2.408
276 HB3 ALA 41 3HB ALA 41 2.733 6.160 2.088
277 H GLU 42 H GLU 42 1.162 9.906 3.098
278 HA GLU 42 HA GLU 42 -0.170 10.639 0.656
279 HB2 GLU 42 2HB GLU 42 -0.705 11.297 3.548
280 HB3 GLU 42 1HB GLU 42 -1.670 11.953 2.219
281 HG2 GLU 42 2HG GLU 42 -2.280 9.623 1.620
282 HG3 GLU 42 1HG GLU 42 -1.358 9.053 3.007
283 H ASN 43 H ASN 43 2.174 11.716 2.651
284 HA ASN 43 HA ASN 43 2.002 14.554 1.732
285 HB2 ASN 43 2HB ASN 43 2.757 14.132 4.118
286 HB3 ASN 43 1HB ASN 43 4.247 13.493 3.384
287 HD21 ASN 43 1HD2 ASN 43 5.852 14.892 2.840
288 HD22 ASN 43 2HD2 ASN 43 5.765 16.601 2.941
289 H GLU 44 H GLU 44 4.202 11.926 1.144
290 HA GLU 44 HA GLU 44 5.223 13.432 -1.092
291 HB2 GLU 44 2HB GLU 44 7.086 12.252 0.959
292 HB3 GLU 44 1HB GLU 44 7.594 12.682 -0.664
293 HG2 GLU 44 2HG GLU 44 6.834 14.984 -0.212
294 HG3 GLU 44 1HG GLU 44 6.507 14.498 1.444
295 H ASP 45 H ASP 45 6.745 12.050 -2.481
296 HA ASP 45 HA ASP 45 5.373 9.814 -3.401
297 HB2 ASP 45 2HB ASP 45 8.283 10.570 -3.793
298 HB3 ASP 45 1HB ASP 45 7.349 9.499 -4.832
299 H TYR 46 H TYR 46 5.939 7.600 -3.171
300 HA TYR 46 HA TYR 46 7.669 7.191 -0.877
301 HB2 TYR 46 2HB TYR 46 5.424 6.973 -0.027
302 HB3 TYR 46 1HB TYR 46 5.080 5.686 -1.201
303 HD1 TYR 46 2HD TYR 46 7.552 6.534 1.466
304 HD2 TYR 46 1HD TYR 46 5.340 3.669 -0.549
305 HE1 TYR 46 2HE TYR 46 8.520 4.828 2.985
306 HE2 TYR 46 1HE TYR 46 6.269 1.849 0.886
307 HH TYR 46 HH TYR 46 7.954 2.482 3.777
308 H ILE 47 H ILE 47 8.892 6.002 -0.859
309 HA ILE 47 HA ILE 47 9.511 4.218 -3.134
310 HB ILE 47 HB ILE 47 11.328 6.203 -1.844
311 HG12 ILE 47 2HG1 ILE 47 10.370 5.696 -4.638
312 HG13 ILE 47 1HG1 ILE 47 9.594 6.755 -3.487
313 HG21 ILE 47 1HG2 ILE 47 12.120 4.075 -3.880
314 HG22 ILE 47 2HG2 ILE 47 12.674 4.116 -2.218
315 HG23 ILE 47 3HG2 ILE 47 13.130 5.402 -3.324
316 HD11 ILE 47 3HD1 ILE 47 12.308 7.017 -4.631
317 HD12 ILE 47 1HD1 ILE 47 11.518 8.066 -3.394
318 HD13 ILE 47 2HD1 ILE 47 10.765 7.884 -5.011
319 H CYS 48 H CYS 48 10.133 2.288 -2.800
320 HA CYS 48 HA CYS 48 10.278 1.323 -0.037
321 HB2 CYS 48 2HB CYS 48 9.441 -0.787 -0.795
322 HB3 CYS 48 1HB CYS 48 8.450 0.463 -1.523
323 H ILE 49 H ILE 49 11.362 -1.264 -0.566
324 HA ILE 49 HA ILE 49 14.100 -0.546 -0.407
325 HB ILE 49 HB ILE 49 14.481 -2.735 0.367
326 HG12 ILE 49 2HG1 ILE 49 12.494 -3.893 1.068
327 HG13 ILE 49 1HG1 ILE 49 11.554 -3.152 -0.219
328 HG21 ILE 49 1HG2 ILE 49 13.830 -0.981 1.849
329 HG22 ILE 49 2HG2 ILE 49 12.886 -2.444 2.356
330 HG23 ILE 49 3HG2 ILE 49 12.200 -1.208 1.251
331 HD11 ILE 49 3HD1 ILE 49 12.255 -5.366 -0.970
332 HD12 ILE 49 1HD1 ILE 49 13.924 -5.041 -0.498
333 HD13 ILE 49 2HD1 ILE 49 13.210 -4.174 -1.855
334 H ASN 50 H ASN 50 12.186 -1.670 -2.771
335 HA ASN 50 HA ASN 50 14.152 -3.268 -4.207
336 HB2 ASN 50 2HB ASN 50 11.451 -2.250 -5.121
337 HB3 ASN 50 1HB ASN 50 12.521 -3.202 -6.150
338 HD21 ASN 50 1HD2 ASN 50 9.778 -3.851 -5.204
339 HD22 ASN 50 2HD2 ASN 50 9.944 -5.295 -4.310
340 H CYS 51 H CYS 51 13.379 0.014 -4.060
341 HA CYS 51 HA CYS 51 14.722 0.670 -6.578
342 HB2 CYS 51 2HB CYS 51 13.540 2.818 -5.785
343 HB3 CYS 51 1HB CYS 51 12.499 1.655 -6.631
344 H ALA 52 H ALA 52 14.787 0.998 -3.123
345 HA ALA 52 HA ALA 52 16.195 3.467 -2.887
346 HB1 ALA 52 3HB ALA 52 16.074 1.193 -0.916
347 HB2 ALA 52 1HB ALA 52 14.923 2.516 -1.033
348 HB3 ALA 52 2HB ALA 52 16.593 2.847 -0.549
349 HA ALA 301 HA ALA 301 3.173 8.755 -4.306
350 HB1 ALA 301 2HB ALA 301 4.102 7.837 -2.256
351 HB2 ALA 301 3HB ALA 301 2.840 6.786 -2.918
352 HB3 ALA 301 1HB ALA 301 2.480 7.806 -1.532
353 H ARG 302 H ARG 302 1.704 7.198 -5.029
354 HA ARG 302 HA ARG 302 -0.991 8.176 -5.039
355 HB2 ARG 302 2HB ARG 302 0.217 5.723 -6.330
356 HB3 ARG 302 1HB ARG 302 -1.430 6.265 -6.591
357 HG2 ARG 302 2HG ARG 302 -0.540 8.375 -7.515
358 HG3 ARG 302 1HG ARG 302 1.097 7.733 -7.329
359 HD2 ARG 302 2HD ARG 302 0.547 5.881 -8.810
360 HD3 ARG 302 1HD ARG 302 -1.094 6.487 -8.958
361 HE ARG 302 HE ARG 302 1.042 8.272 -9.702
362 HH11 ARG 302 1HH1 ARG 302 -1.497 5.999 -10.703
363 HH12 ARG 302 2HH1 ARG 302 -1.459 6.384 -12.357
364 HH21 ARG 302 1HH2 ARG 302 1.088 8.878 -12.015
365 HH22 ARG 302 2HH2 ARG 302 0.067 8.090 -13.126
366 H THR 303 H THR 303 -2.306 7.754 -3.441
367 HA THR 303 HA THR 303 -2.067 5.208 -2.072
368 HB THR 303 HB THR 303 -3.240 6.506 -0.193
369 HG1 THR 303 1HG THR 303 -2.038 8.821 -1.122
370 HG21 THR 303 3HG2 THR 303 -0.947 5.763 -0.138
371 HG22 THR 303 1HG2 THR 303 -1.089 7.357 0.638
372 HG23 THR 303 2HG2 THR 303 -0.433 7.217 -1.008
373 H M3L 304 H M3L 304 -4.043 4.217 -1.468
374 HA M3L 304 HA M3L 304 -6.575 5.272 -2.170
375 HB2 M3L 304 1HB M3L 304 -6.396 4.710 -4.484
376 HB3 M3L 304 2HB M3L 304 -7.050 3.225 -3.716
377 HG2 M3L 304 1HG M3L 304 -4.197 3.371 -4.024
378 HG3 M3L 304 2HG M3L 304 -5.205 2.980 -5.403
379 HD2 M3L 304 1HD M3L 304 -5.554 1.521 -2.867
380 HD3 M3L 304 2HD M3L 304 -4.290 1.070 -4.015
381 HE2 M3L 304 1HE M3L 304 -7.184 1.185 -4.803
382 HE3 M3L 304 2HE M3L 304 -6.380 -0.191 -4.060
383 HM11 M3L 304 1HM1 M3L 304 -4.678 -1.598 -5.338
384 HM12 M3L 304 2HM1 M3L 304 -3.723 -0.165 -5.500
385 HM13 M3L 304 3HM1 M3L 304 -4.110 -1.058 -6.887
386 HM21 M3L 304 1HM2 M3L 304 -6.290 2.020 -7.030
387 HM22 M3L 304 2HM2 M3L 304 -5.460 0.930 -8.083
388 HM23 M3L 304 3HM2 M3L 304 -4.585 1.766 -6.881
389 HM31 M3L 304 3HM3 M3L 304 -6.567 -1.052 -7.669
390 HM32 M3L 304 1HM3 M3L 304 -7.774 -0.313 -6.671
391 HM33 M3L 304 2HM3 M3L 304 -6.889 -1.672 -6.089
392 H GLN 305 H GLN 305 -8.343 3.485 -2.069
393 HA GLN 305 HA GLN 305 -7.627 1.610 0.030
394 HB2 GLN 305 2HB GLN 305 -8.388 3.730 1.073
395 HB3 GLN 305 1HB GLN 305 -9.887 3.612 0.163
396 HG2 GLN 305 2HG GLN 305 -10.466 1.579 1.358
397 HG3 GLN 305 1HG GLN 305 -8.947 1.666 2.251
398 HE21 GLN 305 1HE2 GLN 305 -8.683 3.260 3.848
399 HE22 GLN 305 2HE2 GLN 305 -10.043 4.110 4.470
400 H THR 306 H THR 306 -8.716 -0.249 -0.169
401 HA THR 306 HA THR 306 -10.734 -0.384 -2.322
402 HB THR 306 HB THR 306 -10.133 -2.793 -2.515
403 HG1 THR 306 1HG THR 306 -9.292 -2.725 -0.295
404 HG21 THR 306 3HG2 THR 306 -8.982 -1.114 -4.003
405 HG22 THR 306 1HG2 THR 306 -7.923 -2.480 -3.631
406 HG23 THR 306 2HG2 THR 306 -7.695 -1.000 -2.785
407 H ALA 307 H ALA 307 -12.743 -0.926 -1.734
408 HA ALA 307 HA ALA 307 -13.165 -2.005 0.947
409 HB1 ALA 307 1HB ALA 307 -15.474 -1.303 0.661
410 HB2 ALA 307 2HB ALA 307 -15.116 -0.710 -0.978
411 HB3 ALA 307 3HB ALA 307 -14.366 0.046 0.439
412 H ARG 308 H ARG 308 -13.607 -4.117 1.154
413 HA ARG 308 HA ARG 308 -15.154 -5.344 -0.879
414 HB2 ARG 308 2HB ARG 308 -13.596 -7.285 -1.328
415 HB3 ARG 308 1HB ARG 308 -13.106 -5.742 -1.964
416 HG2 ARG 308 2HG ARG 308 -11.580 -5.548 0.087
417 HG3 ARG 308 1HG ARG 308 -11.951 -7.243 0.372
418 HD2 ARG 308 2HD ARG 308 -10.653 -6.076 -2.105
419 HD3 ARG 308 1HD ARG 308 -9.881 -7.041 -0.867
420 HE ARG 308 HE ARG 308 -11.824 -8.670 -1.727
421 HH11 ARG 308 1HH1 ARG 308 -9.388 -6.802 -3.550
422 HH12 ARG 308 2HH1 ARG 308 -9.282 -7.954 -4.795
423 HH21 ARG 308 1HH2 ARG 308 -11.605 -10.217 -3.491
424 HH22 ARG 308 2HH2 ARG 308 -10.530 -9.920 -4.759
425 H LYS 309 H LYS 309 -13.293 -7.276 1.555
426 HA LYS 309 HA LYS 309 -15.934 -8.337 2.286
427 HB2 LYS 309 2HB LYS 309 -13.176 -9.398 2.914
428 HB3 LYS 309 1HB LYS 309 -14.650 -10.129 3.512
429 HG2 LYS 309 2HG LYS 309 -15.336 -10.595 1.188
430 HG3 LYS 309 1HG LYS 309 -13.827 -9.862 0.617
431 HD2 LYS 309 2HD LYS 309 -12.537 -11.567 1.830
432 HD3 LYS 309 1HD LYS 309 -14.021 -12.265 2.453
433 HE2 LYS 309 2HE LYS 309 -13.252 -12.131 -0.483
434 HE3 LYS 309 1HE LYS 309 -13.110 -13.537 0.550
435 HZ1 LYS 309 3HZ LYS 309 -15.667 -12.193 -0.163
436 HZ2 LYS 309 1HZ LYS 309 -15.518 -13.551 0.824
437 HZ3 LYS 309 2HZ LYS 309 -15.103 -13.643 -0.793
Start of MODEL 18
1 HA SER 1 HA SER 1 -7.445 -7.511 -0.876
2 HB2 SER 1 2HB SER 1 -7.142 -9.845 -2.803
3 HB3 SER 1 1HB SER 1 -7.644 -9.970 -1.109
4 HG SER 1 HG SER 1 -9.264 -9.796 -3.004
5 H VAL 2 H VAL 2 -5.037 -9.132 -3.003
6 HA VAL 2 HA VAL 2 -3.135 -8.917 -0.801
7 HB VAL 2 HB VAL 2 -2.910 -10.732 -3.214
8 HG11 VAL 2 1HG1 VAL 2 -0.753 -10.232 -2.188
9 HG12 VAL 2 2HG1 VAL 2 -1.159 -11.908 -1.899
10 HG13 VAL 2 3HG1 VAL 2 -1.351 -10.712 -0.616
11 HG21 VAL 2 3HG2 VAL 2 -4.848 -11.426 -1.929
12 HG22 VAL 2 1HG2 VAL 2 -3.889 -11.419 -0.451
13 HG23 VAL 2 2HG2 VAL 2 -3.541 -12.601 -1.703
14 H CYS 3 H CYS 3 -1.090 -8.057 -1.309
15 HA CYS 3 HA CYS 3 -1.062 -6.514 -3.797
16 HB2 CYS 3 2HB CYS 3 -0.336 -4.646 -2.647
17 HB3 CYS 3 1HB CYS 3 -1.353 -5.381 -1.411
18 H ALA 4 H ALA 4 1.309 -5.739 -4.064
19 HA ALA 4 HA ALA 4 3.093 -8.065 -3.876
20 HB1 ALA 4 1HB ALA 4 2.847 -7.082 -6.091
21 HB2 ALA 4 2HB ALA 4 4.486 -6.832 -5.482
22 HB3 ALA 4 3HB ALA 4 3.328 -5.499 -5.461
23 H ALA 5 H ALA 5 4.631 -7.995 -2.264
24 HA ALA 5 HA ALA 5 5.904 -5.841 -1.275
25 HB1 ALA 5 1HB ALA 5 3.662 -6.738 0.526
26 HB2 ALA 5 2HB ALA 5 3.708 -5.217 -0.358
27 HB3 ALA 5 3HB ALA 5 4.884 -5.505 0.929
28 H GLN 6 H GLN 6 7.772 -6.753 -0.188
29 HA GLN 6 HA GLN 6 8.444 -9.288 -0.237
30 HB2 GLN 6 2HB GLN 6 9.920 -7.521 0.387
31 HB3 GLN 6 1HB GLN 6 9.060 -7.239 1.879
32 HG2 GLN 6 2HG GLN 6 9.752 -9.502 2.649
33 HG3 GLN 6 1HG GLN 6 10.715 -9.646 1.176
34 HE21 GLN 6 1HE2 GLN 6 12.622 -8.464 0.996
35 HE22 GLN 6 2HE2 GLN 6 13.304 -7.624 2.339
36 H ASN 7 H ASN 7 7.089 -7.931 2.666
37 HA ASN 7 HA ASN 7 6.138 -10.664 3.390
38 HB2 ASN 7 2HB ASN 7 7.939 -9.852 4.929
39 HB3 ASN 7 1HB ASN 7 6.869 -8.549 5.447
40 HD21 ASN 7 1HD2 ASN 7 8.104 -10.599 7.056
41 HD22 ASN 7 2HD2 ASN 7 6.831 -11.470 7.820
42 H CYS 8 H CYS 8 4.124 -10.281 2.294
43 HA CYS 8 HA CYS 8 2.609 -8.225 3.543
44 HB2 CYS 8 2HB CYS 8 2.616 -8.144 1.007
45 HB3 CYS 8 1HB CYS 8 1.954 -9.747 1.064
46 H GLN 9 H GLN 9 1.304 -8.612 4.780
47 HA GLN 9 HA GLN 9 -0.125 -11.178 4.943
48 HB2 GLN 9 2HB GLN 9 -0.285 -8.928 6.954
49 HB3 GLN 9 1HB GLN 9 -1.317 -10.350 7.019
50 HG2 GLN 9 2HG GLN 9 0.739 -11.756 7.140
51 HG3 GLN 9 1HG GLN 9 1.682 -10.277 7.264
52 HE21 GLN 9 1HE2 GLN 9 1.547 -9.028 9.138
53 HE22 GLN 9 2HE2 GLN 9 0.891 -9.681 10.595
54 H ARG 10 H ARG 10 -2.461 -11.397 4.770
55 HA ARG 10 HA ARG 10 -3.544 -9.551 2.886
56 HB2 ARG 10 2HB ARG 10 -4.342 -12.308 3.835
57 HB3 ARG 10 1HB ARG 10 -4.996 -11.450 2.447
58 HG2 ARG 10 2HG ARG 10 -2.878 -11.639 1.296
59 HG3 ARG 10 1HG ARG 10 -2.149 -12.368 2.719
60 HD2 ARG 10 2HD ARG 10 -3.677 -14.270 2.563
61 HD3 ARG 10 1HD ARG 10 -4.422 -13.551 1.130
62 HE ARG 10 HE ARG 10 -2.042 -13.674 0.217
63 HH11 ARG 10 1HH1 ARG 10 -3.474 -16.168 2.336
64 HH12 ARG 10 2HH1 ARG 10 -2.499 -17.398 1.720
65 HH21 ARG 10 1HH2 ARG 10 -0.725 -15.457 -0.606
66 HH22 ARG 10 2HH2 ARG 10 -0.911 -17.003 0.047
67 HA PRO 11 HA PRO 11 -5.848 -8.527 6.655
68 HB2 PRO 11 2HB PRO 11 -6.930 -6.189 5.648
69 HB3 PRO 11 1HB PRO 11 -5.379 -6.295 6.485
70 HG2 PRO 11 2HG PRO 11 -5.933 -5.919 3.610
71 HG3 PRO 11 1HG PRO 11 -4.470 -5.565 4.534
72 HD2 PRO 11 2HD PRO 11 -4.888 -7.776 2.786
73 HD3 PRO 11 1HD PRO 11 -3.538 -7.494 3.880
74 H CYS 12 H CYS 12 -7.323 -7.598 3.572
75 HA CYS 12 HA CYS 12 -9.322 -7.816 2.676
76 HB2 CYS 12 2HB CYS 12 -9.198 -10.548 3.973
77 HB3 CYS 12 1HB CYS 12 -10.366 -10.095 2.730
78 HG CYS 12 HG CYS 12 -8.397 -11.682 1.595
79 H LYS 13 H LYS 13 -10.745 -6.507 3.357
80 HA LYS 13 HA LYS 13 -12.615 -7.043 5.467
81 HB2 LYS 13 2HB LYS 13 -10.696 -4.673 5.700
82 HB3 LYS 13 1HB LYS 13 -12.186 -4.827 6.618
83 HG2 LYS 13 2HG LYS 13 -11.316 -6.825 7.667
84 HG3 LYS 13 1HG LYS 13 -9.807 -6.619 6.779
85 HD2 LYS 13 2HD LYS 13 -9.385 -4.522 7.845
86 HD3 LYS 13 1HD LYS 13 -10.991 -4.539 8.599
87 HE2 LYS 13 2HE LYS 13 -10.435 -6.486 9.788
88 HE3 LYS 13 1HE LYS 13 -8.807 -6.558 9.109
89 HZ1 LYS 13 3HZ LYS 13 -8.732 -5.575 11.310
90 HZ2 LYS 13 1HZ LYS 13 -9.895 -4.434 10.907
91 HZ3 LYS 13 2HZ LYS 13 -8.360 -4.408 10.198
92 H ASP 14 H ASP 14 -13.761 -4.640 5.623
93 HA ASP 14 HA ASP 14 -14.933 -4.242 3.109
94 HB2 ASP 14 2HB ASP 14 -14.904 -2.385 5.487
95 HB3 ASP 14 1HB ASP 14 -15.813 -2.063 4.011
96 H LYS 15 H LYS 15 -12.871 -1.863 4.770
97 HA LYS 15 HA LYS 15 -11.792 -1.290 2.128
98 HB2 LYS 15 2HB LYS 15 -12.729 0.681 4.208
99 HB3 LYS 15 1HB LYS 15 -11.640 1.152 2.915
100 HG2 LYS 15 2HG LYS 15 -13.259 0.594 1.238
101 HG3 LYS 15 1HG LYS 15 -14.332 -0.123 2.439
102 HD2 LYS 15 2HD LYS 15 -13.550 2.802 2.465
103 HD3 LYS 15 1HD LYS 15 -14.957 2.213 1.589
104 HE2 LYS 15 2HE LYS 15 -14.484 1.627 4.447
105 HE3 LYS 15 1HE LYS 15 -15.347 3.107 3.991
106 HZ1 LYS 15 3HZ LYS 15 -16.841 1.284 4.579
107 HZ2 LYS 15 1HZ LYS 15 -16.196 0.266 3.416
108 HZ3 LYS 15 2HZ LYS 15 -17.067 1.640 2.981
109 H VAL 16 H VAL 16 -9.631 -0.899 1.925
110 HA VAL 16 HA VAL 16 -7.940 -0.960 4.262
111 HB VAL 16 HB VAL 16 -6.510 -2.852 3.337
112 HG11 VAL 16 1HG1 VAL 16 -9.341 -3.675 3.972
113 HG12 VAL 16 2HG1 VAL 16 -8.051 -3.324 5.135
114 HG13 VAL 16 3HG1 VAL 16 -7.894 -4.695 4.036
115 HG21 VAL 16 3HG2 VAL 16 -7.601 -4.432 1.716
116 HG22 VAL 16 1HG2 VAL 16 -7.149 -2.856 1.027
117 HG23 VAL 16 2HG2 VAL 16 -8.837 -3.204 1.452
118 H ASP 17 H ASP 17 -5.728 -0.373 3.729
119 HA ASP 17 HA ASP 17 -5.879 1.735 1.693
120 HB2 ASP 17 2HB ASP 17 -3.745 1.473 3.790
121 HB3 ASP 17 1HB ASP 17 -4.317 2.932 2.969
122 H TRP 18 H TRP 18 -4.277 2.115 0.141
123 HA TRP 18 HA TRP 18 -2.141 0.087 -0.153
124 HB2 TRP 18 2HB TRP 18 -3.832 1.426 -2.186
125 HB3 TRP 18 1HB TRP 18 -2.567 0.304 -2.607
126 HD1 TRP 18 HD TRP 18 -5.907 0.349 -0.684
127 HE1 TRP 18 1HE TRP 18 -7.105 -1.936 -1.068
128 HE3 TRP 18 3HE TRP 18 -2.446 -1.881 -3.468
129 HZ2 TRP 18 2HZ TRP 18 -6.627 -4.291 -2.417
130 HZ3 TRP 18 3HZ TRP 18 -2.825 -4.164 -4.367
131 HH2 TRP 18 HH TRP 18 -4.861 -5.319 -3.883
132 H VAL 19 H VAL 19 -0.213 0.962 -1.369
133 HA VAL 19 HA VAL 19 -0.094 3.884 -1.689
134 HB VAL 19 HB VAL 19 2.281 2.386 -0.880
135 HG11 VAL 19 1HG1 VAL 19 3.018 4.463 0.155
136 HG12 VAL 19 2HG1 VAL 19 1.503 5.178 -0.419
137 HG13 VAL 19 3HG1 VAL 19 2.657 4.537 -1.576
138 HG21 VAL 19 3HG2 VAL 19 0.315 3.242 1.181
139 HG22 VAL 19 1HG2 VAL 19 2.006 2.797 1.498
140 HG23 VAL 19 2HG2 VAL 19 0.924 1.594 0.820
141 H GLN 20 H GLN 20 1.113 4.328 -3.482
142 HA GLN 20 HA GLN 20 2.424 2.057 -4.828
143 HB2 GLN 20 2HB GLN 20 0.647 3.937 -5.829
144 HB3 GLN 20 1HB GLN 20 2.202 4.479 -6.394
145 HG2 GLN 20 2HG GLN 20 2.690 2.270 -7.343
146 HG3 GLN 20 1HG GLN 20 1.089 1.715 -6.832
147 HE21 GLN 20 1HE2 GLN 20 2.160 1.715 -9.465
148 HE22 GLN 20 2HE2 GLN 20 1.132 2.730 -10.414
149 H CYS 21 H CYS 21 4.624 2.156 -5.119
150 HA CYS 21 HA CYS 21 6.014 4.324 -3.911
151 HB2 CYS 21 2HB CYS 21 7.933 3.014 -5.145
152 HB3 CYS 21 1HB CYS 21 7.253 2.332 -3.612
153 H ASP 22 H ASP 22 7.289 5.882 -4.823
154 HA ASP 22 HA ASP 22 6.563 6.637 -7.535
155 HB2 ASP 22 2HB ASP 22 8.123 8.127 -5.410
156 HB3 ASP 22 1HB ASP 22 7.623 8.766 -6.975
157 H GLY 23 H GLY 23 8.426 4.422 -6.998
158 HA2 GLY 23 2HA GLY 23 10.927 5.546 -7.962
159 HA3 GLY 23 1HA GLY 23 10.722 3.939 -7.229
160 H GLY 24 H GLY 24 11.571 2.693 -9.176
161 HA2 GLY 24 2HA GLY 24 10.049 3.275 -11.528
162 HA3 GLY 24 1HA GLY 24 11.562 2.418 -11.386
163 H CYS 25 H CYS 25 9.843 1.123 -8.898
164 HA CYS 25 HA CYS 25 9.012 -0.935 -10.764
165 HB2 CYS 25 2HB CYS 25 9.250 -2.617 -9.176
166 HB3 CYS 25 1HB CYS 25 10.335 -1.449 -8.494
167 H ASP 26 H ASP 26 7.580 1.614 -9.288
168 HA ASP 26 HA ASP 26 5.399 2.331 -8.849
169 HB2 ASP 26 2HB ASP 26 5.164 0.911 -11.503
170 HB3 ASP 26 1HB ASP 26 3.891 1.924 -10.840
171 H GLU 27 H GLU 27 5.567 -0.069 -7.262
172 HA GLU 27 HA GLU 27 3.039 -1.170 -8.074
173 HB2 GLU 27 2HB GLU 27 5.229 -2.620 -6.671
174 HB3 GLU 27 1HB GLU 27 3.565 -3.179 -6.631
175 HG2 GLU 27 2HG GLU 27 3.580 -3.065 -9.154
176 HG3 GLU 27 1HG GLU 27 5.307 -2.785 -9.059
177 H TRP 28 H TRP 28 1.582 -2.139 -6.497
178 HA TRP 28 HA TRP 28 1.059 -0.088 -4.512
179 HB2 TRP 28 2HB TRP 28 -0.697 -2.202 -5.745
180 HB3 TRP 28 1HB TRP 28 -1.141 -1.136 -4.421
181 HD1 TRP 28 HD TRP 28 -0.977 -1.223 -8.218
182 HE1 TRP 28 1HE TRP 28 -1.880 0.981 -9.109
183 HE3 TRP 28 3HE TRP 28 -1.250 1.366 -3.843
184 HZ2 TRP 28 2HZ TRP 28 -2.627 3.479 -8.122
185 HZ3 TRP 28 3HZ TRP 28 -2.097 3.649 -3.887
186 HH2 TRP 28 HH TRP 28 -2.760 4.712 -5.991
187 H PHE 29 H PHE 29 1.330 -0.487 -2.510
188 HA PHE 29 HA PHE 29 1.445 -3.274 -1.431
189 HB2 PHE 29 2HB PHE 29 2.517 -0.923 0.014
190 HB3 PHE 29 1HB PHE 29 3.035 -2.596 0.090
191 HD1 PHE 29 2HD PHE 29 4.336 -3.493 -1.881
192 HD2 PHE 29 1HD PHE 29 3.534 0.631 -1.262
193 HE1 PHE 29 2HE PHE 29 6.155 -2.929 -3.398
194 HE2 PHE 29 1HE PHE 29 5.324 1.207 -2.755
195 HZ PHE 29 HZ PHE 29 6.650 -0.570 -3.859
196 H HIS 30 H HIS 30 0.847 -3.288 0.899
197 HA HIS 30 HA HIS 30 -1.343 -1.395 1.515
198 HB2 HIS 30 2HB HIS 30 -0.314 -3.772 3.099
199 HB3 HIS 30 1HB HIS 30 -1.672 -2.762 3.584
200 HD2 HIS 30 2HD HIS 30 -4.076 -3.373 2.261
201 HE1 HIS 30 1HE HIS 30 -2.611 -7.130 0.876
202 HE2 HIS 30 2HE HIS 30 -4.587 -5.555 0.911
203 H GLN 31 H GLN 31 -1.031 0.081 3.331
204 HA GLN 31 HA GLN 31 1.569 0.986 3.556
205 HB2 GLN 31 2HB GLN 31 -0.636 1.575 5.521
206 HB3 GLN 31 1HB GLN 31 0.748 2.597 5.152
207 HG2 GLN 31 2HG GLN 31 -0.319 2.263 2.716
208 HG3 GLN 31 1HG GLN 31 -1.776 2.241 3.696
209 HE21 GLN 31 1HE2 GLN 31 -0.986 4.135 1.753
210 HE22 GLN 31 2HE2 GLN 31 -0.811 5.670 2.491
211 H VAL 32 H VAL 32 -0.252 -1.090 5.746
212 HA VAL 32 HA VAL 32 1.710 -1.080 7.763
213 HB VAL 32 HB VAL 32 0.456 -2.971 8.743
214 HG11 VAL 32 1HG1 VAL 32 -1.235 -0.690 7.752
215 HG12 VAL 32 2HG1 VAL 32 -0.265 -0.710 9.240
216 HG13 VAL 32 3HG1 VAL 32 -1.665 -1.760 9.083
217 HG21 VAL 32 3HG2 VAL 32 -0.141 -4.055 6.633
218 HG22 VAL 32 1HG2 VAL 32 -1.254 -2.746 6.268
219 HG23 VAL 32 2HG2 VAL 32 -1.573 -3.820 7.652
220 H CYS 33 H CYS 33 1.418 -3.039 4.800
221 HA CYS 33 HA CYS 33 3.030 -5.118 5.980
222 HB2 CYS 33 2HB CYS 33 2.666 -6.359 3.832
223 HB3 CYS 33 1HB CYS 33 1.118 -5.777 4.448
224 H VAL 34 H VAL 34 3.538 -2.258 3.937
225 HA VAL 34 HA VAL 34 6.163 -3.249 3.335
226 HB VAL 34 HB VAL 34 4.478 -2.367 1.497
227 HG11 VAL 34 1HG1 VAL 34 4.589 -0.069 0.996
228 HG12 VAL 34 2HG1 VAL 34 5.389 0.228 2.535
229 HG13 VAL 34 3HG1 VAL 34 3.727 -0.385 2.503
230 HG21 VAL 34 3HG2 VAL 34 7.270 -1.464 1.758
231 HG22 VAL 34 1HG2 VAL 34 6.310 -1.497 0.229
232 HG23 VAL 34 2HG2 VAL 34 6.586 -3.003 1.147
233 H GLY 35 H GLY 35 4.927 -1.842 5.818
234 HA2 GLY 35 2HA GLY 35 5.651 -0.421 7.469
235 HA3 GLY 35 1HA GLY 35 7.199 -0.437 6.660
236 H VAL 36 H VAL 36 4.081 0.925 5.556
237 HA VAL 36 HA VAL 36 5.322 3.572 5.330
238 HB VAL 36 HB VAL 36 2.733 2.442 4.199
239 HG11 VAL 36 1HG1 VAL 36 3.862 5.188 3.862
240 HG12 VAL 36 2HG1 VAL 36 2.330 4.775 4.723
241 HG13 VAL 36 3HG1 VAL 36 2.535 4.460 2.981
242 HG21 VAL 36 3HG2 VAL 36 4.240 1.792 2.673
243 HG22 VAL 36 1HG2 VAL 36 5.311 3.221 2.985
244 HG23 VAL 36 2HG2 VAL 36 3.796 3.473 2.227
245 H SER 37 H SER 37 4.487 5.413 6.605
246 HA SER 37 HA SER 37 2.316 4.733 8.316
247 HB2 SER 37 2HB SER 37 4.388 6.957 8.375
248 HB3 SER 37 1HB SER 37 3.156 6.658 9.600
249 HG SER 37 HG SER 37 4.674 4.459 9.062
250 HA PRO 38 HA PRO 38 -0.424 6.909 5.621
251 HB2 PRO 38 2HB PRO 38 -1.474 8.797 7.485
252 HB3 PRO 38 1HB PRO 38 -2.143 7.229 7.042
253 HG2 PRO 38 2HG PRO 38 -0.422 7.950 9.371
254 HG3 PRO 38 1HG PRO 38 -1.711 6.743 9.255
255 HD2 PRO 38 2HD PRO 38 0.833 6.023 9.319
256 HD3 PRO 38 1HD PRO 38 -0.309 5.177 8.258
257 H GLU 39 H GLU 39 1.065 9.193 7.808
258 HA GLU 39 HA GLU 39 0.864 11.419 6.047
259 HB2 GLU 39 2HB GLU 39 2.747 11.153 8.383
260 HB3 GLU 39 1HB GLU 39 2.236 12.644 7.610
261 HG2 GLU 39 2HG GLU 39 -0.078 12.033 8.154
262 HG3 GLU 39 1HG GLU 39 0.548 10.726 9.147
263 H MET 40 H MET 40 3.091 8.979 6.272
264 HA MET 40 HA MET 40 5.348 10.401 5.066
265 HB2 MET 40 2HB MET 40 4.913 7.419 5.338
266 HB3 MET 40 1HB MET 40 6.349 8.163 4.664
267 HG2 MET 40 2HG MET 40 6.855 9.194 6.795
268 HG3 MET 40 1HG MET 40 5.356 8.553 7.464
269 HE1 MET 40 3HE MET 40 7.786 6.698 4.947
270 HE2 MET 40 1HE MET 40 8.865 5.861 6.054
271 HE3 MET 40 2HE MET 40 8.901 7.617 5.956
272 H ALA 41 H ALA 41 3.024 7.978 3.900
273 HA ALA 41 HA ALA 41 3.952 8.108 1.222
274 HB1 ALA 41 1HB ALA 41 2.989 6.097 2.075
275 HB2 ALA 41 2HB ALA 41 1.933 6.785 0.791
276 HB3 ALA 41 3HB ALA 41 1.555 7.058 2.496
277 H GLU 42 H GLU 42 1.417 9.824 2.999
278 HA GLU 42 HA GLU 42 0.125 10.536 0.519
279 HB2 GLU 42 2HB GLU 42 -0.408 11.300 3.386
280 HB3 GLU 42 1HB GLU 42 -1.356 11.909 2.028
281 HG2 GLU 42 2HG GLU 42 -2.032 9.610 1.522
282 HG3 GLU 42 1HG GLU 42 -1.070 9.044 2.894
283 H ASN 43 H ASN 43 2.281 11.767 2.783
284 HA ASN 43 HA ASN 43 2.132 14.434 1.625
285 HB2 ASN 43 2HB ASN 43 3.587 13.471 4.040
286 HB3 ASN 43 1HB ASN 43 3.737 15.102 3.394
287 HD21 ASN 43 1HD2 ASN 43 1.918 16.532 3.595
288 HD22 ASN 43 2HD2 ASN 43 0.587 16.119 4.614
289 H GLU 44 H GLU 44 4.505 11.887 1.637
290 HA GLU 44 HA GLU 44 6.010 13.554 -0.206
291 HB2 GLU 44 2HB GLU 44 7.351 12.054 2.032
292 HB3 GLU 44 1HB GLU 44 8.223 12.715 0.664
293 HG2 GLU 44 2HG GLU 44 7.346 14.974 1.313
294 HG3 GLU 44 1HG GLU 44 6.717 14.225 2.781
295 H ASP 45 H ASP 45 7.741 12.349 -1.501
296 HA ASP 45 HA ASP 45 6.603 10.345 -3.003
297 HB2 ASP 45 2HB ASP 45 9.538 10.942 -2.595
298 HB3 ASP 45 1HB ASP 45 8.813 10.171 -3.991
299 H TYR 46 H TYR 46 6.495 8.229 -2.626
300 HA TYR 46 HA TYR 46 8.205 7.264 -0.480
301 HB2 TYR 46 2HB TYR 46 5.912 7.132 0.265
302 HB3 TYR 46 1HB TYR 46 5.507 6.131 -1.135
303 HD1 TYR 46 2HD TYR 46 8.149 6.117 1.564
304 HD2 TYR 46 1HD TYR 46 5.368 4.065 -0.749
305 HE1 TYR 46 2HE TYR 46 8.852 4.038 2.687
306 HE2 TYR 46 1HE TYR 46 6.045 1.867 0.327
307 HH TYR 46 HH TYR 46 7.912 1.718 3.122
308 H ILE 47 H ILE 47 9.392 6.094 -0.676
309 HA ILE 47 HA ILE 47 9.917 4.554 -3.178
310 HB ILE 47 HB ILE 47 12.052 5.419 -1.186
311 HG12 ILE 47 2HG1 ILE 47 11.086 7.291 -2.479
312 HG13 ILE 47 1HG1 ILE 47 12.775 7.009 -2.941
313 HG21 ILE 47 1HG2 ILE 47 13.675 4.630 -2.840
314 HG22 ILE 47 2HG2 ILE 47 12.358 4.081 -3.876
315 HG23 ILE 47 3HG2 ILE 47 12.625 3.312 -2.316
316 HD11 ILE 47 3HD1 ILE 47 11.377 7.534 -4.845
317 HD12 ILE 47 1HD1 ILE 47 10.296 6.198 -4.467
318 HD13 ILE 47 2HD1 ILE 47 11.956 5.873 -4.979
319 H CYS 48 H CYS 48 9.542 2.489 -3.071
320 HA CYS 48 HA CYS 48 9.216 1.156 -0.527
321 HB2 CYS 48 2HB CYS 48 8.417 -0.676 -1.715
322 HB3 CYS 48 1HB CYS 48 7.875 0.654 -2.708
323 H ILE 49 H ILE 49 10.432 -1.100 -0.229
324 HA ILE 49 HA ILE 49 13.141 -0.543 -0.221
325 HB ILE 49 HB ILE 49 13.420 -2.707 0.747
326 HG12 ILE 49 2HG1 ILE 49 11.355 -3.746 1.387
327 HG13 ILE 49 1HG1 ILE 49 10.552 -3.091 -0.045
328 HG21 ILE 49 1HG2 ILE 49 12.739 -0.872 2.114
329 HG22 ILE 49 2HG2 ILE 49 11.833 -2.321 2.656
330 HG23 ILE 49 3HG2 ILE 49 11.094 -1.127 1.550
331 HD11 ILE 49 3HD1 ILE 49 11.271 -5.388 -0.556
332 HD12 ILE 49 1HD1 ILE 49 12.908 -5.049 0.006
333 HD13 ILE 49 2HD1 ILE 49 12.280 -4.266 -1.449
334 H ASN 50 H ASN 50 11.147 -2.042 -2.341
335 HA ASN 50 HA ASN 50 13.097 -3.577 -3.851
336 HB2 ASN 50 2HB ASN 50 10.305 -2.734 -4.700
337 HB3 ASN 50 1HB ASN 50 11.321 -3.878 -5.561
338 HD21 ASN 50 1HD2 ASN 50 11.596 -5.967 -4.723
339 HD22 ASN 50 2HD2 ASN 50 10.585 -6.589 -3.480
340 H CYS 51 H CYS 51 11.774 -0.315 -4.038
341 HA CYS 51 HA CYS 51 13.147 0.232 -6.525
342 HB2 CYS 51 2HB CYS 51 11.336 1.969 -4.765
343 HB3 CYS 51 1HB CYS 51 12.257 2.596 -6.126
344 H ALA 52 H ALA 52 13.905 0.032 -3.389
345 HA ALA 52 HA ALA 52 16.097 2.010 -3.545
346 HB1 ALA 52 3HB ALA 52 16.145 2.047 -1.095
347 HB2 ALA 52 1HB ALA 52 14.827 0.877 -1.051
348 HB3 ALA 52 2HB ALA 52 14.549 2.492 -1.709
349 HA ALA 301 HA ALA 301 3.483 9.235 -4.429
350 HB1 ALA 301 2HB ALA 301 3.196 7.168 -3.172
351 HB2 ALA 301 3HB ALA 301 2.759 8.073 -1.735
352 HB3 ALA 301 1HB ALA 301 4.396 8.203 -2.386
353 H ARG 302 H ARG 302 1.848 7.287 -4.653
354 HA ARG 302 HA ARG 302 -0.773 8.541 -4.759
355 HB2 ARG 302 2HB ARG 302 0.342 6.270 -6.410
356 HB3 ARG 302 1HB ARG 302 -1.332 6.823 -6.500
357 HG2 ARG 302 2HG ARG 302 -0.501 9.092 -7.133
358 HG3 ARG 302 1HG ARG 302 1.124 8.443 -7.117
359 HD2 ARG 302 2HD ARG 302 -1.096 7.429 -8.882
360 HD3 ARG 302 1HD ARG 302 0.098 8.634 -9.354
361 HE ARG 302 HE ARG 302 1.067 6.042 -8.460
362 HH11 ARG 302 1HH1 ARG 302 0.279 8.217 -11.138
363 HH12 ARG 302 2HH1 ARG 302 1.349 7.472 -12.240
364 HH21 ARG 302 1HH2 ARG 302 2.565 4.987 -10.038
365 HH22 ARG 302 2HH2 ARG 302 2.667 5.624 -11.602
366 H THR 303 H THR 303 -2.336 7.882 -3.489
367 HA THR 303 HA THR 303 -2.044 5.294 -2.194
368 HB THR 303 HB THR 303 -3.201 6.451 -0.220
369 HG1 THR 303 1HG THR 303 -2.673 8.719 -0.138
370 HG21 THR 303 3HG2 THR 303 -0.370 7.173 -0.989
371 HG22 THR 303 1HG2 THR 303 -0.915 5.729 -0.143
372 HG23 THR 303 2HG2 THR 303 -1.028 7.316 0.648
373 H M3L 304 H M3L 304 -4.079 4.365 -1.438
374 HA M3L 304 HA M3L 304 -6.620 5.374 -2.135
375 HB2 M3L 304 1HB M3L 304 -6.354 4.929 -4.452
376 HB3 M3L 304 2HB M3L 304 -7.075 3.426 -3.749
377 HG2 M3L 304 1HG M3L 304 -4.201 3.507 -3.970
378 HG3 M3L 304 2HG M3L 304 -5.139 3.195 -5.416
379 HD2 M3L 304 1HD M3L 304 -5.585 1.645 -2.969
380 HD3 M3L 304 2HD M3L 304 -4.337 1.247 -4.146
381 HE2 M3L 304 1HE M3L 304 -7.235 1.482 -4.937
382 HE3 M3L 304 2HE M3L 304 -6.434 0.060 -4.244
383 HM11 M3L 304 1HM1 M3L 304 -4.795 -1.400 -5.568
384 HM12 M3L 304 2HM1 M3L 304 -3.788 0.008 -5.675
385 HM13 M3L 304 3HM1 M3L 304 -4.211 -0.797 -7.089
386 HM21 M3L 304 1HM2 M3L 304 -5.546 1.281 -8.221
387 HM22 M3L 304 2HM2 M3L 304 -4.565 2.003 -7.004
388 HM23 M3L 304 3HM2 M3L 304 -6.254 2.381 -7.078
389 HM31 M3L 304 3HM3 M3L 304 -6.779 -0.510 -7.914
390 HM32 M3L 304 1HM3 M3L 304 -7.873 0.030 -6.694
391 HM33 M3L 304 2HM3 M3L 304 -6.931 -1.391 -6.442
392 H GLN 305 H GLN 305 -8.345 3.578 -2.074
393 HA GLN 305 HA GLN 305 -7.547 1.460 -0.206
394 HB2 GLN 305 2HB GLN 305 -10.083 3.108 0.054
395 HB3 GLN 305 1HB GLN 305 -9.532 1.827 1.133
396 HG2 GLN 305 2HG GLN 305 -7.640 3.210 1.810
397 HG3 GLN 305 1HG GLN 305 -8.199 4.449 0.696
398 HE21 GLN 305 1HE2 GLN 305 -8.597 3.002 3.764
399 HE22 GLN 305 2HE2 GLN 305 -9.803 4.081 4.374
400 H THR 306 H THR 306 -8.877 -0.338 -0.394
401 HA THR 306 HA THR 306 -10.667 -0.338 -2.749
402 HB THR 306 HB THR 306 -10.168 -2.771 -2.971
403 HG1 THR 306 1HG THR 306 -9.402 -2.837 -0.728
404 HG21 THR 306 3HG2 THR 306 -8.923 -1.122 -4.393
405 HG22 THR 306 1HG2 THR 306 -7.918 -2.520 -3.995
406 HG23 THR 306 2HG2 THR 306 -7.676 -1.038 -3.129
407 H ALA 307 H ALA 307 -12.679 -1.165 -2.446
408 HA ALA 307 HA ALA 307 -13.244 -2.043 0.259
409 HB1 ALA 307 1HB ALA 307 -15.598 -1.456 -0.194
410 HB2 ALA 307 2HB ALA 307 -15.158 -0.908 -1.818
411 HB3 ALA 307 3HB ALA 307 -14.515 -0.093 -0.379
412 H ARG 308 H ARG 308 -13.102 -4.122 0.426
413 HA ARG 308 HA ARG 308 -13.880 -5.797 -1.834
414 HB2 ARG 308 2HB ARG 308 -12.335 -6.534 0.663
415 HB3 ARG 308 1HB ARG 308 -12.808 -7.678 -0.566
416 HG2 ARG 308 2HG ARG 308 -10.963 -5.332 -0.993
417 HG3 ARG 308 1HG ARG 308 -10.470 -7.019 -0.816
418 HD2 ARG 308 2HD ARG 308 -11.845 -7.552 -2.829
419 HD3 ARG 308 1HD ARG 308 -12.149 -5.832 -3.031
420 HE ARG 308 HE ARG 308 -9.385 -6.627 -2.889
421 HH11 ARG 308 1HH1 ARG 308 -12.098 -5.752 -5.016
422 HH12 ARG 308 2HH1 ARG 308 -11.151 -5.573 -6.392
423 HH21 ARG 308 1HH2 ARG 308 -8.052 -6.335 -4.823
424 HH22 ARG 308 2HH2 ARG 308 -8.808 -5.898 -6.297
425 H LYS 309 H LYS 309 -14.279 -6.098 1.723
426 HA LYS 309 HA LYS 309 -16.632 -7.700 1.205
427 HB2 LYS 309 2HB LYS 309 -14.982 -8.286 2.929
428 HB3 LYS 309 1HB LYS 309 -15.445 -6.845 3.833
429 HG2 LYS 309 2HG LYS 309 -17.678 -7.752 4.164
430 HG3 LYS 309 1HG LYS 309 -17.268 -9.156 3.158
431 HD2 LYS 309 2HD LYS 309 -15.396 -9.587 4.751
432 HD3 LYS 309 1HD LYS 309 -16.085 -8.354 5.796
433 HE2 LYS 309 2HE LYS 309 -17.551 -10.832 4.871
434 HE3 LYS 309 1HE LYS 309 -16.777 -10.675 6.440
435 HZ1 LYS 309 3HZ LYS 309 -18.363 -8.927 7.010
436 HZ2 LYS 309 1HZ LYS 309 -19.117 -10.331 6.522
437 HZ3 LYS 309 2HZ LYS 309 -19.091 -9.032 5.481
Start of MODEL 19
1 HA SER 1 HA SER 1 -6.285 -9.179 -3.031
2 HB2 SER 1 2HB SER 1 -7.140 -7.073 -1.000
3 HB3 SER 1 1HB SER 1 -6.535 -6.746 -2.628
4 HG SER 1 HG SER 1 -8.435 -8.291 -3.154
5 H VAL 2 H VAL 2 -4.167 -9.553 -3.094
6 HA VAL 2 HA VAL 2 -2.566 -8.927 -0.747
7 HB VAL 2 HB VAL 2 -1.822 -10.792 -3.014
8 HG11 VAL 2 1HG1 VAL 2 -0.097 -11.647 -1.465
9 HG12 VAL 2 2HG1 VAL 2 -0.546 -10.415 -0.290
10 HG13 VAL 2 3HG1 VAL 2 0.124 -9.939 -1.834
11 HG21 VAL 2 3HG2 VAL 2 -3.756 -11.747 -1.902
12 HG22 VAL 2 1HG2 VAL 2 -3.000 -11.518 -0.323
13 HG23 VAL 2 2HG2 VAL 2 -2.316 -12.663 -1.481
14 H CYS 3 H CYS 3 -0.682 -7.781 -1.076
15 HA CYS 3 HA CYS 3 -0.496 -6.196 -3.559
16 HB2 CYS 3 2HB CYS 3 0.410 -4.526 -2.236
17 HB3 CYS 3 1HB CYS 3 -0.798 -5.203 -1.153
18 H ALA 4 H ALA 4 1.975 -5.587 -3.784
19 HA ALA 4 HA ALA 4 3.389 -8.162 -3.404
20 HB1 ALA 4 1HB ALA 4 4.337 -5.916 -5.139
21 HB2 ALA 4 2HB ALA 4 3.344 -7.262 -5.696
22 HB3 ALA 4 3HB ALA 4 4.989 -7.559 -5.086
23 H ALA 5 H ALA 5 3.330 -6.856 -1.218
24 HA ALA 5 HA ALA 5 6.166 -6.331 -0.727
25 HB1 ALA 5 1HB ALA 5 5.647 -5.669 1.560
26 HB2 ALA 5 2HB ALA 5 4.016 -6.307 1.428
27 HB3 ALA 5 3HB ALA 5 4.497 -4.929 0.457
28 H GLN 6 H GLN 6 7.617 -7.545 0.142
29 HA GLN 6 HA GLN 6 7.632 -10.249 -0.055
30 HB2 GLN 6 2HB GLN 6 9.371 -8.592 1.746
31 HB3 GLN 6 1HB GLN 6 9.695 -10.264 1.326
32 HG2 GLN 6 2HG GLN 6 9.533 -7.936 -0.606
33 HG3 GLN 6 1HG GLN 6 10.995 -8.761 -0.079
34 HE21 GLN 6 1HE2 GLN 6 9.786 -8.444 -2.792
35 HE22 GLN 6 2HE2 GLN 6 9.601 -10.043 -3.379
36 H ASN 7 H ASN 7 7.138 -8.653 3.119
37 HA ASN 7 HA ASN 7 6.004 -11.244 3.883
38 HB2 ASN 7 2HB ASN 7 8.134 -10.706 5.161
39 HB3 ASN 7 1HB ASN 7 7.325 -9.307 5.827
40 HD21 ASN 7 1HD2 ASN 7 8.445 -11.729 7.127
41 HD22 ASN 7 2HD2 ASN 7 7.178 -12.391 8.076
42 H CYS 8 H CYS 8 4.319 -10.319 2.810
43 HA CYS 8 HA CYS 8 2.775 -8.420 4.382
44 HB2 CYS 8 2HB CYS 8 2.897 -7.794 2.019
45 HB3 CYS 8 1HB CYS 8 2.236 -9.348 1.566
46 H GLN 9 H GLN 9 0.902 -8.730 4.971
47 HA GLN 9 HA GLN 9 -0.410 -11.413 4.945
48 HB2 GLN 9 2HB GLN 9 -1.028 -9.236 6.963
49 HB3 GLN 9 1HB GLN 9 -1.816 -10.800 6.916
50 HG2 GLN 9 2HG GLN 9 0.416 -11.859 7.319
51 HG3 GLN 9 1HG GLN 9 1.070 -10.239 7.566
52 HE21 GLN 9 1HE2 GLN 9 0.906 -12.497 9.399
53 HE22 GLN 9 2HE2 GLN 9 0.023 -11.959 10.768
54 H ARG 10 H ARG 10 -2.689 -11.639 4.410
55 HA ARG 10 HA ARG 10 -3.580 -9.646 2.578
56 HB2 ARG 10 2HB ARG 10 -3.321 -11.878 1.694
57 HB3 ARG 10 1HB ARG 10 -4.214 -12.555 3.044
58 HG2 ARG 10 2HG ARG 10 -6.253 -11.411 2.245
59 HG3 ARG 10 1HG ARG 10 -5.322 -10.795 0.868
60 HD2 ARG 10 2HD ARG 10 -4.918 -13.027 0.092
61 HD3 ARG 10 1HD ARG 10 -5.668 -13.712 1.526
62 HE ARG 10 HE ARG 10 -7.604 -12.155 0.387
63 HH11 ARG 10 1HH1 ARG 10 -5.595 -14.842 -0.690
64 HH12 ARG 10 2HH1 ARG 10 -6.782 -15.482 -1.736
65 HH21 ARG 10 1HH2 ARG 10 -9.269 -13.074 -1.088
66 HH22 ARG 10 2HH2 ARG 10 -8.874 -14.450 -2.003
67 HA PRO 11 HA PRO 11 -6.470 -8.965 5.990
68 HB2 PRO 11 2HB PRO 11 -7.132 -6.412 5.333
69 HB3 PRO 11 1HB PRO 11 -5.694 -6.845 6.227
70 HG2 PRO 11 2HG PRO 11 -5.941 -6.039 3.384
71 HG3 PRO 11 1HG PRO 11 -4.573 -5.831 4.477
72 HD2 PRO 11 2HD PRO 11 -4.860 -7.794 2.474
73 HD3 PRO 11 1HD PRO 11 -3.642 -7.748 3.758
74 H CYS 12 H CYS 12 -7.286 -7.544 2.818
75 HA CYS 12 HA CYS 12 -9.211 -7.366 1.637
76 HB2 CYS 12 2HB CYS 12 -10.364 -9.551 1.114
77 HB3 CYS 12 1HB CYS 12 -8.624 -9.565 0.867
78 HG CYS 12 HG CYS 12 -9.448 -10.550 3.864
79 H LYS 13 H LYS 13 -9.492 -6.606 4.348
80 HA LYS 13 HA LYS 13 -12.070 -7.424 5.253
81 HB2 LYS 13 2HB LYS 13 -10.262 -5.183 6.210
82 HB3 LYS 13 1HB LYS 13 -11.757 -5.628 6.980
83 HG2 LYS 13 2HG LYS 13 -10.893 -7.861 7.392
84 HG3 LYS 13 1HG LYS 13 -9.336 -7.347 6.727
85 HD2 LYS 13 2HD LYS 13 -9.075 -5.686 8.421
86 HD3 LYS 13 1HD LYS 13 -10.717 -5.945 9.014
87 HE2 LYS 13 2HE LYS 13 -10.113 -8.219 9.514
88 HE3 LYS 13 1HE LYS 13 -8.428 -7.895 9.072
89 HZ1 LYS 13 3HZ LYS 13 -8.445 -6.147 10.879
90 HZ2 LYS 13 1HZ LYS 13 -8.684 -7.720 11.421
91 HZ3 LYS 13 2HZ LYS 13 -9.985 -6.678 11.298
92 H ASP 14 H ASP 14 -13.114 -4.931 6.122
93 HA ASP 14 HA ASP 14 -14.837 -4.369 4.004
94 HB2 ASP 14 2HB ASP 14 -14.272 -2.787 6.508
95 HB3 ASP 14 1HB ASP 14 -15.582 -2.420 5.375
96 H LYS 15 H LYS 15 -11.984 -2.562 5.132
97 HA LYS 15 HA LYS 15 -11.624 -1.457 2.528
98 HB2 LYS 15 2HB LYS 15 -12.336 0.226 4.896
99 HB3 LYS 15 1HB LYS 15 -11.307 0.883 3.632
100 HG2 LYS 15 2HG LYS 15 -12.992 0.672 2.011
101 HG3 LYS 15 1HG LYS 15 -14.017 -0.281 3.075
102 HD2 LYS 15 2HD LYS 15 -13.211 2.567 3.655
103 HD3 LYS 15 1HD LYS 15 -14.687 2.142 2.781
104 HE2 LYS 15 2HE LYS 15 -13.954 1.089 5.475
105 HE3 LYS 15 1HE LYS 15 -15.034 2.495 5.269
106 HZ1 LYS 15 3HZ LYS 15 -16.524 0.993 4.070
107 HZ2 LYS 15 1HZ LYS 15 -16.262 0.466 5.622
108 HZ3 LYS 15 2HZ LYS 15 -15.513 -0.312 4.322
109 H VAL 16 H VAL 16 -9.485 -1.333 2.132
110 HA VAL 16 HA VAL 16 -7.661 -1.129 4.401
111 HB VAL 16 HB VAL 16 -6.162 -2.862 3.500
112 HG11 VAL 16 1HG1 VAL 16 -7.497 -4.870 3.935
113 HG12 VAL 16 2HG1 VAL 16 -8.963 -3.902 3.844
114 HG13 VAL 16 3HG1 VAL 16 -7.787 -3.602 5.127
115 HG21 VAL 16 3HG2 VAL 16 -6.830 -4.329 1.652
116 HG22 VAL 16 1HG2 VAL 16 -6.716 -2.639 1.147
117 HG23 VAL 16 2HG2 VAL 16 -8.301 -3.381 1.435
118 H ASP 17 H ASP 17 -5.745 -0.096 3.958
119 HA ASP 17 HA ASP 17 -5.887 1.612 1.601
120 HB2 ASP 17 2HB ASP 17 -4.148 1.871 4.048
121 HB3 ASP 17 1HB ASP 17 -4.304 3.067 2.763
122 H TRP 18 H TRP 18 -4.211 2.049 0.217
123 HA TRP 18 HA TRP 18 -1.991 0.069 0.055
124 HB2 TRP 18 2HB TRP 18 -3.657 1.179 -2.165
125 HB3 TRP 18 1HB TRP 18 -2.351 0.063 -2.422
126 HD1 TRP 18 HD TRP 18 -5.716 0.134 -0.605
127 HE1 TRP 18 1HE TRP 18 -6.860 -2.207 -0.920
128 HE3 TRP 18 3HE TRP 18 -2.174 -2.062 -3.237
129 HZ2 TRP 18 2HZ TRP 18 -6.271 -4.612 -2.195
130 HZ3 TRP 18 3HZ TRP 18 -2.458 -4.411 -4.067
131 HH2 TRP 18 HH TRP 18 -4.463 -5.632 -3.566
132 H VAL 19 H VAL 19 -0.033 0.899 -1.219
133 HA VAL 19 HA VAL 19 -0.037 3.748 -1.898
134 HB VAL 19 HB VAL 19 2.392 2.436 -1.001
135 HG11 VAL 19 1HG1 VAL 19 2.698 4.520 -1.883
136 HG12 VAL 19 2HG1 VAL 19 3.059 4.637 -0.155
137 HG13 VAL 19 3HG1 VAL 19 1.536 5.253 -0.793
138 HG21 VAL 19 3HG2 VAL 19 0.418 3.308 1.050
139 HG22 VAL 19 1HG2 VAL 19 2.174 3.159 1.330
140 HG23 VAL 19 2HG2 VAL 19 1.289 1.749 0.796
141 H GLN 20 H GLN 20 1.011 3.956 -3.817
142 HA GLN 20 HA GLN 20 2.331 1.589 -4.954
143 HB2 GLN 20 2HB GLN 20 0.677 3.501 -6.058
144 HB3 GLN 20 1HB GLN 20 2.258 3.991 -6.588
145 HG2 GLN 20 2HG GLN 20 2.750 1.769 -7.483
146 HG3 GLN 20 1HG GLN 20 1.141 1.226 -6.997
147 HE21 GLN 20 1HE2 GLN 20 2.234 1.129 -9.553
148 HE22 GLN 20 2HE2 GLN 20 1.273 2.091 -10.599
149 H CYS 21 H CYS 21 4.646 1.570 -5.368
150 HA CYS 21 HA CYS 21 6.213 3.461 -4.079
151 HB2 CYS 21 2HB CYS 21 6.836 1.043 -4.686
152 HB3 CYS 21 1HB CYS 21 6.918 1.586 -6.324
153 H ASP 22 H ASP 22 6.771 5.510 -4.815
154 HA ASP 22 HA ASP 22 6.146 6.395 -7.493
155 HB2 ASP 22 2HB ASP 22 7.682 7.790 -5.287
156 HB3 ASP 22 1HB ASP 22 7.157 8.547 -6.788
157 H GLY 23 H GLY 23 8.292 4.322 -6.899
158 HA2 GLY 23 2HA GLY 23 10.595 5.628 -8.111
159 HA3 GLY 23 1HA GLY 23 10.621 4.078 -7.255
160 H GLY 24 H GLY 24 11.468 2.774 -9.085
161 HA2 GLY 24 2HA GLY 24 9.870 2.898 -11.505
162 HA3 GLY 24 1HA GLY 24 11.478 2.215 -11.315
163 H CYS 25 H CYS 25 9.434 1.456 -8.775
164 HA CYS 25 HA CYS 25 9.296 -1.328 -9.587
165 HB2 CYS 25 2HB CYS 25 8.159 -0.028 -7.157
166 HB3 CYS 25 1HB CYS 25 8.612 -1.703 -7.379
167 H ASP 26 H ASP 26 7.268 1.456 -9.119
168 HA ASP 26 HA ASP 26 5.035 1.806 -8.889
169 HB2 ASP 26 2HB ASP 26 5.221 0.204 -11.458
170 HB3 ASP 26 1HB ASP 26 3.778 1.071 -10.979
171 H GLU 27 H GLU 27 5.749 -0.434 -7.368
172 HA GLU 27 HA GLU 27 3.675 -2.444 -7.703
173 HB2 GLU 27 2HB GLU 27 5.790 -2.210 -5.551
174 HB3 GLU 27 1HB GLU 27 4.740 -3.573 -5.818
175 HG2 GLU 27 2HG GLU 27 5.737 -4.060 -7.928
176 HG3 GLU 27 1HG GLU 27 6.684 -2.586 -7.879
177 H TRP 28 H TRP 28 1.930 -2.621 -6.473
178 HA TRP 28 HA TRP 28 1.304 -0.483 -4.622
179 HB2 TRP 28 2HB TRP 28 -0.371 -2.715 -5.755
180 HB3 TRP 28 1HB TRP 28 -0.901 -1.663 -4.464
181 HD1 TRP 28 HD TRP 28 -0.679 -1.845 -8.232
182 HE1 TRP 28 1HE TRP 28 -1.686 0.249 -9.237
183 HE3 TRP 28 3HE TRP 28 -1.060 0.974 -3.981
184 HZ2 TRP 28 2HZ TRP 28 -2.554 2.761 -8.373
185 HZ3 TRP 28 3HZ TRP 28 -2.011 3.240 -4.183
186 HH2 TRP 28 HH TRP 28 -2.727 4.108 -6.324
187 H PHE 29 H PHE 29 1.404 -0.692 -2.565
188 HA PHE 29 HA PHE 29 1.636 -3.382 -1.292
189 HB2 PHE 29 2HB PHE 29 2.614 -0.881 -0.007
190 HB3 PHE 29 1HB PHE 29 3.110 -2.540 0.245
191 HD1 PHE 29 2HD PHE 29 4.447 -3.655 -1.663
192 HD2 PHE 29 1HD PHE 29 3.805 0.532 -1.239
193 HE1 PHE 29 2HE PHE 29 6.410 -3.211 -3.075
194 HE2 PHE 29 1HE PHE 29 5.745 0.980 -2.600
195 HZ PHE 29 HZ PHE 29 7.068 -0.880 -3.550
196 H HIS 30 H HIS 30 0.970 -3.189 1.103
197 HA HIS 30 HA HIS 30 -1.333 -1.362 1.309
198 HB2 HIS 30 2HB HIS 30 -0.415 -3.543 3.205
199 HB3 HIS 30 1HB HIS 30 -1.853 -2.558 3.414
200 HD2 HIS 30 2HD HIS 30 -4.075 -3.413 1.869
201 HE1 HIS 30 1HE HIS 30 -2.265 -7.138 0.874
202 HE2 HIS 30 2HE HIS 30 -4.313 -5.667 0.589
203 H GLN 31 H GLN 31 -1.268 0.057 3.127
204 HA GLN 31 HA GLN 31 1.271 1.273 3.331
205 HB2 GLN 31 2HB GLN 31 -1.069 1.814 5.160
206 HB3 GLN 31 1HB GLN 31 0.296 2.880 4.844
207 HG2 GLN 31 2HG GLN 31 -0.650 2.332 2.362
208 HG3 GLN 31 1HG GLN 31 -2.137 2.456 3.308
209 HE21 GLN 31 1HE2 GLN 31 -1.207 4.210 1.247
210 HE22 GLN 31 2HE2 GLN 31 -0.985 5.772 1.954
211 H VAL 32 H VAL 32 -0.470 -0.844 5.637
212 HA VAL 32 HA VAL 32 1.370 -0.391 7.694
213 HB VAL 32 HB VAL 32 0.210 -2.217 8.838
214 HG11 VAL 32 1HG1 VAL 32 -1.647 -0.275 7.476
215 HG12 VAL 32 2HG1 VAL 32 -0.692 0.056 8.930
216 HG13 VAL 32 3HG1 VAL 32 -1.991 -1.152 8.968
217 HG21 VAL 32 3HG2 VAL 32 -1.327 -2.482 6.258
218 HG22 VAL 32 1HG2 VAL 32 -1.731 -3.323 7.765
219 HG23 VAL 32 2HG2 VAL 32 -0.207 -3.658 6.944
220 H CYS 33 H CYS 33 1.469 -2.589 4.891
221 HA CYS 33 HA CYS 33 2.899 -4.573 6.416
222 HB2 CYS 33 2HB CYS 33 2.705 -5.926 4.273
223 HB3 CYS 33 1HB CYS 33 1.138 -5.392 4.858
224 H VAL 34 H VAL 34 3.481 -1.930 4.135
225 HA VAL 34 HA VAL 34 6.140 -2.884 3.733
226 HB VAL 34 HB VAL 34 4.503 -2.265 1.843
227 HG11 VAL 34 1HG1 VAL 34 4.302 0.027 1.214
228 HG12 VAL 34 2HG1 VAL 34 4.971 0.481 2.784
229 HG13 VAL 34 3HG1 VAL 34 3.443 -0.387 2.694
230 HG21 VAL 34 3HG2 VAL 34 6.744 -2.593 1.557
231 HG22 VAL 34 1HG2 VAL 34 7.130 -0.922 2.026
232 HG23 VAL 34 2HG2 VAL 34 6.183 -1.238 0.526
233 H GLY 35 H GLY 35 4.993 -1.500 6.208
234 HA2 GLY 35 2HA GLY 35 5.680 0.026 7.801
235 HA3 GLY 35 1HA GLY 35 7.177 0.127 6.904
236 H VAL 36 H VAL 36 3.961 1.146 5.795
237 HA VAL 36 HA VAL 36 4.979 3.865 5.438
238 HB VAL 36 HB VAL 36 2.577 2.388 4.293
239 HG11 VAL 36 1HG1 VAL 36 1.912 4.736 4.719
240 HG12 VAL 36 2HG1 VAL 36 2.207 4.383 2.979
241 HG13 VAL 36 3HG1 VAL 36 3.425 5.209 3.917
242 HG21 VAL 36 3HG2 VAL 36 4.395 3.934 2.741
243 HG22 VAL 36 1HG2 VAL 36 3.576 2.446 2.350
244 HG23 VAL 36 2HG2 VAL 36 5.062 2.377 3.365
245 H SER 37 H SER 37 3.847 5.738 6.444
246 HA SER 37 HA SER 37 1.657 5.084 8.129
247 HB2 SER 37 2HB SER 37 3.953 7.038 8.547
248 HB3 SER 37 1HB SER 37 2.591 6.806 9.640
249 HG SER 37 HG SER 37 3.550 4.445 9.303
250 HA PRO 38 HA PRO 38 -0.728 7.919 5.641
251 HB2 PRO 38 2HB PRO 38 -0.852 9.579 8.140
252 HB3 PRO 38 1HB PRO 38 -2.145 9.182 7.008
253 HG2 PRO 38 2HG PRO 38 -1.897 7.849 9.285
254 HG3 PRO 38 1HG PRO 38 -2.341 7.003 7.798
255 HD2 PRO 38 2HD PRO 38 0.208 6.907 9.323
256 HD3 PRO 38 1HD PRO 38 -0.498 5.727 8.201
257 H GLU 39 H GLU 39 1.321 9.779 7.868
258 HA GLU 39 HA GLU 39 1.504 12.124 6.347
259 HB2 GLU 39 2HB GLU 39 3.443 10.953 8.333
260 HB3 GLU 39 1HB GLU 39 3.601 12.567 7.666
261 HG2 GLU 39 2HG GLU 39 1.236 11.587 9.253
262 HG3 GLU 39 1HG GLU 39 2.581 12.506 9.925
263 H MET 40 H MET 40 3.441 9.196 6.238
264 HA MET 40 HA MET 40 5.484 10.524 4.704
265 HB2 MET 40 2HB MET 40 5.228 7.601 5.390
266 HB3 MET 40 1HB MET 40 6.528 8.261 4.420
267 HG2 MET 40 2HG MET 40 5.902 8.951 7.289
268 HG3 MET 40 1HG MET 40 7.268 7.990 6.715
269 HE1 MET 40 3HE MET 40 9.271 9.052 5.136
270 HE2 MET 40 1HE MET 40 9.343 10.772 4.746
271 HE3 MET 40 2HE MET 40 8.082 9.755 4.047
272 H ALA 41 H ALA 41 2.982 8.140 3.924
273 HA ALA 41 HA ALA 41 3.757 7.973 1.156
274 HB1 ALA 41 1HB ALA 41 1.768 6.684 0.947
275 HB2 ALA 41 2HB ALA 41 1.344 7.204 2.594
276 HB3 ALA 41 3HB ALA 41 2.787 6.154 2.316
277 H GLU 42 H GLU 42 1.375 9.880 2.933
278 HA GLU 42 HA GLU 42 0.086 10.467 0.395
279 HB2 GLU 42 2HB GLU 42 -0.654 11.153 3.220
280 HB3 GLU 42 1HB GLU 42 -1.582 11.717 1.803
281 HG2 GLU 42 2HG GLU 42 -2.054 9.367 1.284
282 HG3 GLU 42 1HG GLU 42 -1.126 8.869 2.702
283 H ASN 43 H ASN 43 1.950 11.870 2.856
284 HA ASN 43 HA ASN 43 1.806 14.481 1.601
285 HB2 ASN 43 2HB ASN 43 3.161 13.567 4.061
286 HB3 ASN 43 1HB ASN 43 3.409 15.188 3.413
287 HD21 ASN 43 1HD2 ASN 43 1.636 16.626 3.405
288 HD22 ASN 43 2HD2 ASN 43 0.252 16.342 4.411
289 H GLU 44 H GLU 44 4.104 11.916 1.610
290 HA GLU 44 HA GLU 44 5.820 13.624 -0.048
291 HB2 GLU 44 2HB GLU 44 6.768 11.539 1.919
292 HB3 GLU 44 1HB GLU 44 7.786 12.327 0.745
293 HG2 GLU 44 2HG GLU 44 6.266 13.634 2.903
294 HG3 GLU 44 1HG GLU 44 8.000 13.270 3.031
295 H ASP 45 H ASP 45 7.139 12.405 -1.514
296 HA ASP 45 HA ASP 45 5.812 10.281 -2.838
297 HB2 ASP 45 2HB ASP 45 8.725 11.141 -3.033
298 HB3 ASP 45 1HB ASP 45 7.833 10.215 -4.232
299 H TYR 46 H TYR 46 6.255 8.066 -2.616
300 HA TYR 46 HA TYR 46 8.210 7.410 -0.564
301 HB2 TYR 46 2HB TYR 46 6.145 7.208 0.548
302 HB3 TYR 46 1HB TYR 46 5.399 6.366 -0.808
303 HD1 TYR 46 2HD TYR 46 8.340 5.958 1.542
304 HD2 TYR 46 1HD TYR 46 5.218 4.314 -0.624
305 HE1 TYR 46 2HE TYR 46 8.965 3.740 2.460
306 HE2 TYR 46 1HE TYR 46 5.747 2.004 0.243
307 HH TYR 46 HH TYR 46 7.775 1.470 2.865
308 H ILE 47 H ILE 47 9.761 5.743 -0.944
309 HA ILE 47 HA ILE 47 9.441 4.444 -3.384
310 HB ILE 47 HB ILE 47 11.648 6.107 -2.207
311 HG12 ILE 47 2HG1 ILE 47 12.201 6.651 -4.587
312 HG13 ILE 47 1HG1 ILE 47 10.874 5.623 -5.101
313 HG21 ILE 47 1HG2 ILE 47 13.445 4.995 -3.438
314 HG22 ILE 47 2HG2 ILE 47 12.360 3.679 -3.831
315 HG23 ILE 47 3HG2 ILE 47 12.763 4.014 -2.150
316 HD11 ILE 47 3HD1 ILE 47 10.247 7.907 -5.195
317 HD12 ILE 47 1HD1 ILE 47 10.720 8.170 -3.510
318 HD13 ILE 47 2HD1 ILE 47 9.346 7.123 -3.898
319 H CYS 48 H CYS 48 9.867 2.349 -3.103
320 HA CYS 48 HA CYS 48 9.924 1.506 -0.338
321 HB2 CYS 48 2HB CYS 48 9.294 -0.718 -1.036
322 HB3 CYS 48 1HB CYS 48 8.263 0.448 -1.825
323 H ILE 49 H ILE 49 11.161 -0.996 -0.358
324 HA ILE 49 HA ILE 49 13.791 -0.071 -0.091
325 HB ILE 49 HB ILE 49 14.273 -2.114 0.990
326 HG12 ILE 49 2HG1 ILE 49 12.291 -3.375 1.566
327 HG13 ILE 49 1HG1 ILE 49 11.533 -2.930 0.051
328 HG21 ILE 49 1HG2 ILE 49 13.214 -0.289 2.162
329 HG22 ILE 49 2HG2 ILE 49 12.512 -1.826 2.761
330 HG23 ILE 49 3HG2 ILE 49 11.688 -0.865 1.495
331 HD11 ILE 49 3HD1 ILE 49 13.550 -3.929 -1.136
332 HD12 ILE 49 1HD1 ILE 49 12.574 -5.131 -0.285
333 HD13 ILE 49 2HD1 ILE 49 14.080 -4.557 0.430
334 H ASN 50 H ASN 50 12.128 -1.730 -2.419
335 HA ASN 50 HA ASN 50 14.149 -3.464 -3.491
336 HB2 ASN 50 2HB ASN 50 11.703 -2.359 -4.894
337 HB3 ASN 50 1HB ASN 50 12.739 -3.630 -5.529
338 HD21 ASN 50 1HD2 ASN 50 9.832 -3.772 -4.979
339 HD22 ASN 50 2HD2 ASN 50 9.660 -4.998 -3.813
340 H CYS 51 H CYS 51 13.272 -0.195 -4.011
341 HA CYS 51 HA CYS 51 14.962 0.140 -6.343
342 HB2 CYS 51 2HB CYS 51 13.770 2.356 -5.979
343 HB3 CYS 51 1HB CYS 51 12.757 1.057 -6.668
344 H ALA 52 H ALA 52 14.854 0.676 -2.943
345 HA ALA 52 HA ALA 52 15.990 3.232 -2.643
346 HB1 ALA 52 3HB ALA 52 16.254 0.891 -0.760
347 HB2 ALA 52 1HB ALA 52 14.891 2.013 -0.822
348 HB3 ALA 52 2HB ALA 52 16.489 2.591 -0.358
349 HA ALA 301 HA ALA 301 3.218 8.757 -4.418
350 HB1 ALA 301 2HB ALA 301 2.840 6.759 -3.063
351 HB2 ALA 301 3HB ALA 301 2.255 7.746 -1.744
352 HB3 ALA 301 1HB ALA 301 3.948 7.884 -2.237
353 H ARG 302 H ARG 302 1.820 7.218 -5.344
354 HA ARG 302 HA ARG 302 -0.909 8.112 -5.426
355 HB2 ARG 302 2HB ARG 302 0.437 5.795 -6.825
356 HB3 ARG 302 1HB ARG 302 -1.231 6.290 -7.109
357 HG2 ARG 302 2HG ARG 302 -0.437 8.495 -7.852
358 HG3 ARG 302 1HG ARG 302 1.223 7.959 -7.638
359 HD2 ARG 302 2HD ARG 302 0.870 6.219 -9.328
360 HD3 ARG 302 1HD ARG 302 -0.805 6.755 -9.527
361 HE ARG 302 HE ARG 302 1.092 8.848 -9.902
362 HH11 ARG 302 1HH1 ARG 302 -0.541 6.167 -11.553
363 HH12 ARG 302 2HH1 ARG 302 -0.294 6.791 -13.106
364 HH21 ARG 302 1HH2 ARG 302 1.412 9.713 -12.044
365 HH22 ARG 302 2HH2 ARG 302 0.864 8.860 -13.407
366 H THR 303 H THR 303 -2.380 7.504 -4.118
367 HA THR 303 HA THR 303 -2.020 5.045 -2.597
368 HB THR 303 HB THR 303 -3.357 6.362 -0.826
369 HG1 THR 303 1HG THR 303 -2.207 8.663 -1.804
370 HG21 THR 303 3HG2 THR 303 -0.546 7.160 -1.563
371 HG22 THR 303 1HG2 THR 303 -1.006 5.772 -0.576
372 HG23 THR 303 2HG2 THR 303 -1.262 7.443 0.022
373 H M3L 304 H M3L 304 -4.078 4.161 -1.729
374 HA M3L 304 HA M3L 304 -6.588 4.868 -2.942
375 HB2 M3L 304 1HB M3L 304 -5.655 3.668 -4.880
376 HB3 M3L 304 2HB M3L 304 -6.922 2.694 -4.094
377 HG2 M3L 304 1HG M3L 304 -5.371 1.349 -3.020
378 HG3 M3L 304 2HG M3L 304 -4.033 2.390 -3.562
379 HD2 M3L 304 1HD M3L 304 -3.929 0.500 -4.876
380 HD3 M3L 304 2HD M3L 304 -4.573 1.817 -5.840
381 HE2 M3L 304 1HE M3L 304 -6.835 0.915 -5.629
382 HE3 M3L 304 2HE M3L 304 -6.184 -0.388 -4.633
383 HM11 M3L 304 1HM1 M3L 304 -3.570 -0.746 -6.369
384 HM12 M3L 304 2HM1 M3L 304 -4.199 -1.921 -7.436
385 HM13 M3L 304 3HM1 M3L 304 -4.496 -2.063 -5.736
386 HM21 M3L 304 1HM2 M3L 304 -4.603 1.036 -7.725
387 HM22 M3L 304 2HM2 M3L 304 -6.312 1.137 -7.946
388 HM23 M3L 304 3HM2 M3L 304 -5.409 -0.044 -8.816
389 HM31 M3L 304 3HM3 M3L 304 -6.993 -2.087 -6.167
390 HM32 M3L 304 1HM3 M3L 304 -6.562 -2.114 -7.835
391 HM33 M3L 304 2HM3 M3L 304 -7.705 -0.964 -7.256
392 H GLN 305 H GLN 305 -8.220 3.115 -2.386
393 HA GLN 305 HA GLN 305 -7.489 1.476 -0.118
394 HB2 GLN 305 2HB GLN 305 -8.266 3.699 0.768
395 HB3 GLN 305 1HB GLN 305 -9.778 3.461 -0.079
396 HG2 GLN 305 2HG GLN 305 -10.236 1.500 1.265
397 HG3 GLN 305 1HG GLN 305 -8.696 1.711 2.101
398 HE21 GLN 305 1HE2 GLN 305 -8.434 3.490 3.475
399 HE22 GLN 305 2HE2 GLN 305 -9.791 4.311 4.135
400 H THR 306 H THR 306 -8.395 -0.454 -0.460
401 HA THR 306 HA THR 306 -10.501 -0.622 -2.499
402 HB THR 306 HB THR 306 -9.923 -3.029 -2.636
403 HG1 THR 306 1HG THR 306 -9.113 -2.989 -0.416
404 HG21 THR 306 3HG2 THR 306 -7.671 -2.782 -3.688
405 HG22 THR 306 1HG2 THR 306 -7.497 -1.207 -2.953
406 HG23 THR 306 2HG2 THR 306 -8.742 -1.472 -4.180
407 H ALA 307 H ALA 307 -12.532 -1.077 -1.839
408 HA ALA 307 HA ALA 307 -12.896 -2.009 0.897
409 HB1 ALA 307 1HB ALA 307 -15.193 -1.183 0.708
410 HB2 ALA 307 2HB ALA 307 -14.915 -0.734 -0.978
411 HB3 ALA 307 3HB ALA 307 -14.040 0.082 0.322
412 H ARG 308 H ARG 308 -13.588 -4.004 1.294
413 HA ARG 308 HA ARG 308 -14.653 -5.585 -0.960
414 HB2 ARG 308 2HB ARG 308 -13.155 -6.599 1.471
415 HB3 ARG 308 1HB ARG 308 -13.766 -7.586 0.155
416 HG2 ARG 308 2HG ARG 308 -11.543 -5.555 0.000
417 HG3 ARG 308 1HG ARG 308 -11.384 -7.307 -0.019
418 HD2 ARG 308 2HD ARG 308 -12.768 -5.627 -2.110
419 HD3 ARG 308 1HD ARG 308 -11.162 -6.340 -2.248
420 HE ARG 308 HE ARG 308 -13.462 -8.101 -1.825
421 HH11 ARG 308 1HH1 ARG 308 -10.823 -6.989 -3.948
422 HH12 ARG 308 2HH1 ARG 308 -11.112 -8.130 -5.161
423 HH21 ARG 308 1HH2 ARG 308 -13.870 -9.679 -3.524
424 HH22 ARG 308 2HH2 ARG 308 -12.922 -9.668 -4.927
425 H LYS 309 H LYS 309 -16.156 -7.297 -0.263
426 HA LYS 309 HA LYS 309 -17.923 -6.160 1.798
427 HB2 LYS 309 2HB LYS 309 -18.591 -7.976 -0.514
428 HB3 LYS 309 1HB LYS 309 -19.761 -7.382 0.651
429 HG2 LYS 309 2HG LYS 309 -19.303 -5.077 -0.039
430 HG3 LYS 309 1HG LYS 309 -18.097 -5.661 -1.177
431 HD2 LYS 309 2HD LYS 309 -19.868 -6.903 -2.360
432 HD3 LYS 309 1HD LYS 309 -21.056 -6.245 -1.241
433 HE2 LYS 309 2HE LYS 309 -20.508 -3.967 -1.957
434 HE3 LYS 309 1HE LYS 309 -19.256 -4.613 -3.019
435 HZ1 LYS 309 3HZ LYS 309 -22.184 -5.088 -3.305
436 HZ2 LYS 309 1HZ LYS 309 -20.984 -5.735 -4.298
437 HZ3 LYS 309 2HZ LYS 309 -21.256 -4.081 -4.265
Start of MODEL 20
1 HA SER 1 HA SER 1 -6.977 -7.914 -0.586
2 HB2 SER 1 2HB SER 1 -6.645 -10.319 -2.399
3 HB3 SER 1 1HB SER 1 -7.072 -10.382 -0.676
4 HG SER 1 HG SER 1 -9.048 -10.174 -1.267
5 H VAL 2 H VAL 2 -4.669 -9.137 -2.990
6 HA VAL 2 HA VAL 2 -2.617 -9.119 -0.920
7 HB VAL 2 HB VAL 2 -2.310 -10.422 -3.622
8 HG11 VAL 2 1HG1 VAL 2 -0.238 -10.077 -2.468
9 HG12 VAL 2 2HG1 VAL 2 -0.585 -11.802 -2.519
10 HG13 VAL 2 3HG1 VAL 2 -0.854 -10.885 -1.039
11 HG21 VAL 2 3HG2 VAL 2 -2.913 -12.593 -2.684
12 HG22 VAL 2 1HG2 VAL 2 -4.263 -11.474 -2.637
13 HG23 VAL 2 2HG2 VAL 2 -3.372 -11.815 -1.159
14 H CYS 3 H CYS 3 -0.665 -8.023 -1.453
15 HA CYS 3 HA CYS 3 -0.677 -6.403 -3.906
16 HB2 CYS 3 2HB CYS 3 0.001 -4.534 -2.711
17 HB3 CYS 3 1HB CYS 3 -1.121 -5.261 -1.556
18 H ALA 4 H ALA 4 1.774 -5.612 -3.982
19 HA ALA 4 HA ALA 4 3.246 -8.188 -3.630
20 HB1 ALA 4 1HB ALA 4 4.045 -5.960 -5.408
21 HB2 ALA 4 2HB ALA 4 3.148 -7.406 -5.925
22 HB3 ALA 4 3HB ALA 4 4.825 -7.538 -5.314
23 H ALA 5 H ALA 5 3.294 -6.780 -1.360
24 HA ALA 5 HA ALA 5 6.138 -6.260 -1.136
25 HB1 ALA 5 1HB ALA 5 5.697 -5.681 1.179
26 HB2 ALA 5 2HB ALA 5 4.071 -6.337 1.062
27 HB3 ALA 5 3HB ALA 5 4.507 -4.919 0.121
28 H GLN 6 H GLN 6 7.663 -7.425 -0.062
29 HA GLN 6 HA GLN 6 7.878 -10.137 -0.204
30 HB2 GLN 6 2HB GLN 6 9.076 -8.403 1.946
31 HB3 GLN 6 1HB GLN 6 9.616 -10.001 1.517
32 HG2 GLN 6 2HG GLN 6 10.332 -9.256 -0.647
33 HG3 GLN 6 1HG GLN 6 9.623 -7.661 -0.366
34 HE21 GLN 6 1HE2 GLN 6 12.213 -9.830 0.519
35 HE22 GLN 6 2HE2 GLN 6 13.191 -8.618 1.250
36 H ASN 7 H ASN 7 6.932 -8.403 2.769
37 HA ASN 7 HA ASN 7 5.853 -10.946 3.717
38 HB2 ASN 7 2HB ASN 7 7.758 -10.117 5.079
39 HB3 ASN 7 1HB ASN 7 6.870 -8.635 5.389
40 HD21 ASN 7 1HD2 ASN 7 5.155 -8.666 6.866
41 HD22 ASN 7 2HD2 ASN 7 4.888 -9.986 7.944
42 H CYS 8 H CYS 8 4.018 -10.299 2.410
43 HA CYS 8 HA CYS 8 2.576 -8.145 3.612
44 HB2 CYS 8 2HB CYS 8 2.647 -8.003 1.130
45 HB3 CYS 8 1HB CYS 8 1.997 -9.620 1.077
46 H GLN 9 H GLN 9 0.956 -8.373 4.632
47 HA GLN 9 HA GLN 9 -0.395 -10.973 4.869
48 HB2 GLN 9 2HB GLN 9 -0.689 -8.607 6.731
49 HB3 GLN 9 1HB GLN 9 -1.655 -10.078 6.863
50 HG2 GLN 9 2HG GLN 9 0.483 -11.338 7.146
51 HG3 GLN 9 1HG GLN 9 1.318 -9.783 7.250
52 HE21 GLN 9 1HE2 GLN 9 0.892 -8.444 9.102
53 HE22 GLN 9 2HE2 GLN 9 0.213 -9.128 10.508
54 H ARG 10 H ARG 10 -2.587 -11.258 4.337
55 HA ARG 10 HA ARG 10 -3.606 -9.301 2.540
56 HB2 ARG 10 2HB ARG 10 -4.214 -12.193 3.111
57 HB3 ARG 10 1HB ARG 10 -5.026 -11.229 1.889
58 HG2 ARG 10 2HG ARG 10 -3.026 -11.002 0.634
59 HG3 ARG 10 1HG ARG 10 -2.063 -11.704 1.935
60 HD2 ARG 10 2HD ARG 10 -4.240 -13.156 0.471
61 HD3 ARG 10 1HD ARG 10 -2.511 -13.295 0.093
62 HE ARG 10 HE ARG 10 -2.941 -13.777 2.816
63 HH11 ARG 10 1HH1 ARG 10 -3.625 -15.364 -0.322
64 HH12 ARG 10 2HH1 ARG 10 -3.395 -16.921 0.310
65 HH21 ARG 10 1HH2 ARG 10 -2.683 -15.977 3.638
66 HH22 ARG 10 2HH2 ARG 10 -2.886 -17.268 2.543
67 HA PRO 11 HA PRO 11 -6.137 -8.544 6.199
68 HB2 PRO 11 2HB PRO 11 -7.099 -6.128 5.404
69 HB3 PRO 11 1HB PRO 11 -5.489 -6.350 6.095
70 HG2 PRO 11 2HG PRO 11 -6.270 -6.058 3.210
71 HG3 PRO 11 1HG PRO 11 -4.886 -5.373 4.070
72 HD2 PRO 11 2HD PRO 11 -4.643 -7.595 2.482
73 HD3 PRO 11 1HD PRO 11 -3.667 -7.272 3.910
74 H CYS 12 H CYS 12 -7.375 -7.634 3.000
75 HA CYS 12 HA CYS 12 -9.336 -7.858 1.950
76 HB2 CYS 12 2HB CYS 12 -9.558 -10.371 3.622
77 HB3 CYS 12 1HB CYS 12 -10.515 -10.012 2.187
78 HG CYS 12 HG CYS 12 -8.264 -11.901 1.974
79 H LYS 13 H LYS 13 -9.243 -6.557 4.669
80 HA LYS 13 HA LYS 13 -11.869 -6.803 5.789
81 HB2 LYS 13 2HB LYS 13 -9.909 -4.479 6.001
82 HB3 LYS 13 1HB LYS 13 -11.277 -4.664 7.038
83 HG2 LYS 13 2HG LYS 13 -10.320 -6.674 7.950
84 HG3 LYS 13 1HG LYS 13 -8.875 -6.384 6.957
85 HD2 LYS 13 2HD LYS 13 -8.699 -4.123 7.929
86 HD3 LYS 13 1HD LYS 13 -10.061 -4.495 8.984
87 HE2 LYS 13 2HE LYS 13 -7.759 -6.119 8.715
88 HE3 LYS 13 1HE LYS 13 -7.685 -4.815 9.941
89 HZ1 LYS 13 3HZ LYS 13 -8.323 -6.850 11.066
90 HZ2 LYS 13 1HZ LYS 13 -9.411 -7.295 9.866
91 HZ3 LYS 13 2HZ LYS 13 -9.740 -6.011 10.899
92 H ASP 14 H ASP 14 -13.236 -4.662 5.817
93 HA ASP 14 HA ASP 14 -14.185 -4.322 3.232
94 HB2 ASP 14 2HB ASP 14 -15.604 -2.469 4.202
95 HB3 ASP 14 1HB ASP 14 -15.713 -4.016 5.023
96 H LYS 15 H LYS 15 -12.891 -1.538 5.069
97 HA LYS 15 HA LYS 15 -11.923 -0.545 2.501
98 HB2 LYS 15 2HB LYS 15 -12.220 0.881 5.138
99 HB3 LYS 15 1HB LYS 15 -11.881 1.618 3.575
100 HG2 LYS 15 2HG LYS 15 -14.016 1.013 2.738
101 HG3 LYS 15 1HG LYS 15 -14.346 0.023 4.164
102 HD2 LYS 15 2HD LYS 15 -14.212 2.115 5.513
103 HD3 LYS 15 1HD LYS 15 -14.127 3.013 3.987
104 HE2 LYS 15 2HE LYS 15 -16.224 1.046 4.639
105 HE3 LYS 15 1HE LYS 15 -16.459 2.792 4.952
106 HZ1 LYS 15 3HZ LYS 15 -16.077 1.400 2.320
107 HZ2 LYS 15 1HZ LYS 15 -16.126 3.077 2.491
108 HZ3 LYS 15 2HZ LYS 15 -17.459 2.137 2.862
109 H VAL 16 H VAL 16 -9.989 -1.472 2.173
110 HA VAL 16 HA VAL 16 -7.969 -0.995 4.236
111 HB VAL 16 HB VAL 16 -6.571 -2.785 3.276
112 HG11 VAL 16 1HG1 VAL 16 -8.089 -3.308 5.102
113 HG12 VAL 16 2HG1 VAL 16 -7.917 -4.690 4.012
114 HG13 VAL 16 3HG1 VAL 16 -9.362 -3.680 3.936
115 HG21 VAL 16 3HG2 VAL 16 -7.307 -2.726 0.991
116 HG22 VAL 16 1HG2 VAL 16 -8.920 -3.299 1.448
117 HG23 VAL 16 2HG2 VAL 16 -7.534 -4.369 1.639
118 H ASP 17 H ASP 17 -6.042 -0.096 3.731
119 HA ASP 17 HA ASP 17 -6.187 1.685 1.409
120 HB2 ASP 17 2HB ASP 17 -4.572 1.967 3.964
121 HB3 ASP 17 1HB ASP 17 -4.665 3.157 2.673
122 H TRP 18 H TRP 18 -4.454 2.156 0.182
123 HA TRP 18 HA TRP 18 -2.217 0.153 0.026
124 HB2 TRP 18 2HB TRP 18 -3.767 1.309 -2.264
125 HB3 TRP 18 1HB TRP 18 -2.476 0.164 -2.433
126 HD1 TRP 18 HD TRP 18 -5.909 0.287 -0.736
127 HE1 TRP 18 1HE TRP 18 -7.051 -2.023 -1.043
128 HE3 TRP 18 3HE TRP 18 -2.313 -1.947 -3.313
129 HZ2 TRP 18 2HZ TRP 18 -6.472 -4.446 -2.318
130 HZ3 TRP 18 3HZ TRP 18 -2.623 -4.266 -4.143
131 HH2 TRP 18 HH TRP 18 -4.664 -5.465 -3.684
132 H VAL 19 H VAL 19 -0.214 0.980 -1.307
133 HA VAL 19 HA VAL 19 -0.146 3.839 -1.817
134 HB VAL 19 HB VAL 19 2.274 2.504 -0.963
135 HG11 VAL 19 1HG1 VAL 19 2.893 4.614 0.057
136 HG12 VAL 19 2HG1 VAL 19 1.364 5.260 -0.529
137 HG13 VAL 19 3HG1 VAL 19 2.553 4.637 -1.672
138 HG21 VAL 19 3HG2 VAL 19 2.045 2.985 1.421
139 HG22 VAL 19 1HG2 VAL 19 1.113 1.637 0.759
140 HG23 VAL 19 2HG2 VAL 19 0.301 3.203 1.127
141 H GLN 20 H GLN 20 0.919 4.099 -3.662
142 HA GLN 20 HA GLN 20 2.383 1.784 -4.823
143 HB2 GLN 20 2HB GLN 20 0.585 3.516 -5.991
144 HB3 GLN 20 1HB GLN 20 2.137 4.177 -6.475
145 HG2 GLN 20 2HG GLN 20 2.842 2.002 -7.356
146 HG3 GLN 20 1HG GLN 20 1.270 1.334 -6.934
147 HE21 GLN 20 1HE2 GLN 20 2.463 1.337 -9.465
148 HE22 GLN 20 2HE2 GLN 20 1.445 2.237 -10.529
149 H CYS 21 H CYS 21 4.634 1.960 -5.081
150 HA CYS 21 HA CYS 21 5.852 4.181 -3.814
151 HB2 CYS 21 2HB CYS 21 7.912 2.867 -4.770
152 HB3 CYS 21 1HB CYS 21 7.004 2.198 -3.374
153 H ASP 22 H ASP 22 7.156 5.734 -4.633
154 HA ASP 22 HA ASP 22 6.497 6.597 -7.352
155 HB2 ASP 22 2HB ASP 22 7.937 8.000 -5.096
156 HB3 ASP 22 1HB ASP 22 7.529 8.720 -6.651
157 H GLY 23 H GLY 23 8.453 4.409 -6.888
158 HA2 GLY 23 2HA GLY 23 10.892 5.693 -7.837
159 HA3 GLY 23 1HA GLY 23 10.759 4.048 -7.194
160 H GLY 24 H GLY 24 11.605 2.922 -9.211
161 HA2 GLY 24 2HA GLY 24 9.903 3.446 -11.478
162 HA3 GLY 24 1HA GLY 24 11.524 2.768 -11.481
163 H CYS 25 H CYS 25 9.889 1.363 -8.931
164 HA CYS 25 HA CYS 25 9.270 -0.889 -10.720
165 HB2 CYS 25 2HB CYS 25 9.860 -2.363 -9.089
166 HB3 CYS 25 1HB CYS 25 10.612 -0.968 -8.346
167 H ASP 26 H ASP 26 7.696 1.537 -9.053
168 HA ASP 26 HA ASP 26 5.512 2.083 -8.545
169 HB2 ASP 26 2HB ASP 26 5.208 0.663 -11.186
170 HB3 ASP 26 1HB ASP 26 4.023 1.758 -10.494
171 H GLU 27 H GLU 27 5.913 -0.284 -7.023
172 HA GLU 27 HA GLU 27 3.694 -2.018 -7.755
173 HB2 GLU 27 2HB GLU 27 5.705 -2.332 -5.517
174 HB3 GLU 27 1HB GLU 27 4.402 -3.436 -5.872
175 HG2 GLU 27 2HG GLU 27 5.357 -3.900 -8.067
176 HG3 GLU 27 1HG GLU 27 6.684 -2.797 -7.724
177 H TRP 28 H TRP 28 1.914 -2.438 -6.502
178 HA TRP 28 HA TRP 28 1.177 -0.349 -4.648
179 HB2 TRP 28 2HB TRP 28 -0.336 -2.607 -5.923
180 HB3 TRP 28 1HB TRP 28 -1.004 -1.650 -4.621
181 HD1 TRP 28 HD TRP 28 -0.741 -1.709 -8.333
182 HE1 TRP 28 1HE TRP 28 -1.702 0.418 -9.281
183 HE3 TRP 28 3HE TRP 28 -1.045 1.039 -4.017
184 HZ2 TRP 28 2HZ TRP 28 -2.495 2.942 -8.376
185 HZ3 TRP 28 3HZ TRP 28 -1.932 3.329 -4.173
186 HH2 TRP 28 HH TRP 28 -2.637 4.255 -6.319
187 H PHE 29 H PHE 29 1.259 -0.600 -2.571
188 HA PHE 29 HA PHE 29 1.416 -3.338 -1.417
189 HB2 PHE 29 2HB PHE 29 2.502 -0.954 -0.008
190 HB3 PHE 29 1HB PHE 29 2.938 -2.642 0.164
191 HD1 PHE 29 2HD PHE 29 4.214 -3.718 -1.852
192 HD2 PHE 29 1HD PHE 29 3.739 0.458 -1.154
193 HE1 PHE 29 2HE PHE 29 6.145 -3.281 -3.251
194 HE2 PHE 29 1HE PHE 29 5.661 0.906 -2.550
195 HZ PHE 29 HZ PHE 29 6.890 -0.934 -3.625
196 H HIS 30 H HIS 30 0.825 -3.237 0.910
197 HA HIS 30 HA HIS 30 -1.454 -1.396 1.332
198 HB2 HIS 30 2HB HIS 30 -0.562 -3.737 3.047
199 HB3 HIS 30 1HB HIS 30 -1.964 -2.739 3.344
200 HD2 HIS 30 2HD HIS 30 -4.234 -3.424 1.857
201 HE1 HIS 30 1HE HIS 30 -2.541 -7.055 0.457
202 HE2 HIS 30 2HE HIS 30 -4.565 -5.560 0.411
203 H GLN 31 H GLN 31 -1.299 0.003 3.147
204 HA GLN 31 HA GLN 31 1.292 0.956 3.471
205 HB2 GLN 31 2HB GLN 31 -1.001 1.640 5.324
206 HB3 GLN 31 1HB GLN 31 0.417 2.630 4.967
207 HG2 GLN 31 2HG GLN 31 -0.481 2.234 2.512
208 HG3 GLN 31 1HG GLN 31 -2.015 2.156 3.341
209 HE21 GLN 31 1HE2 GLN 31 -1.132 4.117 1.462
210 HE22 GLN 31 2HE2 GLN 31 -1.128 5.648 2.233
211 H VAL 32 H VAL 32 -0.586 -1.185 5.556
212 HA VAL 32 HA VAL 32 1.210 -1.066 7.729
213 HB VAL 32 HB VAL 32 -0.048 -2.970 8.628
214 HG11 VAL 32 1HG1 VAL 32 -0.925 -0.720 8.956
215 HG12 VAL 32 2HG1 VAL 32 -2.262 -1.859 8.749
216 HG13 VAL 32 3HG1 VAL 32 -1.777 -0.809 7.419
217 HG21 VAL 32 3HG2 VAL 32 -1.496 -2.920 5.979
218 HG22 VAL 32 1HG2 VAL 32 -1.961 -3.906 7.376
219 HG23 VAL 32 2HG2 VAL 32 -0.411 -4.182 6.544
220 H CYS 33 H CYS 33 1.228 -3.017 4.754
221 HA CYS 33 HA CYS 33 2.770 -5.086 6.033
222 HB2 CYS 33 2HB CYS 33 2.629 -6.221 3.751
223 HB3 CYS 33 1HB CYS 33 1.037 -5.846 4.413
224 H VAL 34 H VAL 34 3.412 -2.160 4.129
225 HA VAL 34 HA VAL 34 6.082 -3.129 3.775
226 HB VAL 34 HB VAL 34 4.683 -2.544 1.711
227 HG11 VAL 34 1HG1 VAL 34 3.483 -0.607 2.348
228 HG12 VAL 34 2HG1 VAL 34 4.628 -0.207 1.041
229 HG13 VAL 34 3HG1 VAL 34 4.997 0.241 2.686
230 HG21 VAL 34 3HG2 VAL 34 6.525 -1.424 0.634
231 HG22 VAL 34 1HG2 VAL 34 6.938 -2.821 1.681
232 HG23 VAL 34 2HG2 VAL 34 7.177 -1.163 2.294
233 H GLY 35 H GLY 35 4.771 -1.885 6.151
234 HA2 GLY 35 2HA GLY 35 5.254 -0.390 7.843
235 HA3 GLY 35 1HA GLY 35 6.851 -0.347 7.131
236 H VAL 36 H VAL 36 3.801 0.893 5.787
237 HA VAL 36 HA VAL 36 4.984 3.549 5.564
238 HB VAL 36 HB VAL 36 2.500 2.271 4.309
239 HG11 VAL 36 1HG1 VAL 36 2.272 4.317 3.059
240 HG12 VAL 36 2HG1 VAL 36 3.553 5.045 3.997
241 HG13 VAL 36 3HG1 VAL 36 1.993 4.645 4.785
242 HG21 VAL 36 3HG2 VAL 36 4.435 3.749 2.882
243 HG22 VAL 36 1HG2 VAL 36 3.569 2.338 2.377
244 HG23 VAL 36 2HG2 VAL 36 5.021 2.138 3.441
245 H SER 37 H SER 37 4.011 5.466 6.727
246 HA SER 37 HA SER 37 1.870 4.770 8.424
247 HB2 SER 37 2HB SER 37 3.965 6.976 8.461
248 HB3 SER 37 1HB SER 37 2.743 6.731 9.698
249 HG SER 37 HG SER 37 4.599 5.833 10.419
250 HA PRO 38 HA PRO 38 -0.707 6.961 5.499
251 HB2 PRO 38 2HB PRO 38 -1.922 8.701 7.406
252 HB3 PRO 38 1HB PRO 38 -2.562 7.202 6.755
253 HG2 PRO 38 2HG PRO 38 -1.139 7.695 9.317
254 HG3 PRO 38 1HG PRO 38 -2.342 6.457 8.928
255 HD2 PRO 38 2HD PRO 38 0.267 5.857 9.235
256 HD3 PRO 38 1HD PRO 38 -0.747 5.041 8.024
257 H GLU 39 H GLU 39 0.752 9.043 7.941
258 HA GLU 39 HA GLU 39 0.501 11.467 6.560
259 HB2 GLU 39 2HB GLU 39 0.954 11.236 8.980
260 HB3 GLU 39 1HB GLU 39 2.572 10.679 8.605
261 HG2 GLU 39 2HG GLU 39 3.106 12.829 7.656
262 HG3 GLU 39 1HG GLU 39 1.461 13.406 7.986
263 H MET 40 H MET 40 2.929 8.997 6.467
264 HA MET 40 HA MET 40 5.004 10.619 5.271
265 HB2 MET 40 2HB MET 40 4.827 7.611 5.540
266 HB3 MET 40 1HB MET 40 6.225 8.491 4.953
267 HG2 MET 40 2HG MET 40 6.515 9.553 7.093
268 HG3 MET 40 1HG MET 40 5.029 8.815 7.687
269 HE1 MET 40 3HE MET 40 7.767 7.024 5.397
270 HE2 MET 40 1HE MET 40 8.842 6.390 6.634
271 HE3 MET 40 2HE MET 40 8.711 8.130 6.409
272 H ALA 41 H ALA 41 2.878 8.023 4.074
273 HA ALA 41 HA ALA 41 3.928 8.144 1.430
274 HB1 ALA 41 1HB ALA 41 3.044 6.093 2.352
275 HB2 ALA 41 2HB ALA 41 2.102 6.627 0.927
276 HB3 ALA 41 3HB ALA 41 1.518 6.964 2.565
277 H GLU 42 H GLU 42 1.174 9.741 2.999
278 HA GLU 42 HA GLU 42 0.079 10.298 0.393
279 HB2 GLU 42 2HB GLU 42 -0.746 11.216 3.129
280 HB3 GLU 42 1HB GLU 42 -1.616 11.585 1.639
281 HG2 GLU 42 2HG GLU 42 -1.973 9.169 1.324
282 HG3 GLU 42 1HG GLU 42 -1.178 8.884 2.886
283 H ASN 43 H ASN 43 2.021 11.691 2.715
284 HA ASN 43 HA ASN 43 1.734 14.391 1.555
285 HB2 ASN 43 2HB ASN 43 2.012 14.146 4.036
286 HB3 ASN 43 1HB ASN 43 3.686 13.688 3.725
287 HD21 ASN 43 1HD2 ASN 43 4.535 15.452 4.831
288 HD22 ASN 43 2HD2 ASN 43 4.435 17.058 4.203
289 H GLU 44 H GLU 44 4.181 11.910 1.557
290 HA GLU 44 HA GLU 44 5.748 13.521 -0.298
291 HB2 GLU 44 2HB GLU 44 6.818 12.096 2.117
292 HB3 GLU 44 1HB GLU 44 7.836 12.730 0.817
293 HG2 GLU 44 2HG GLU 44 7.085 14.972 1.266
294 HG3 GLU 44 1HG GLU 44 5.945 14.382 2.460
295 H ASP 45 H ASP 45 7.324 12.260 -1.593
296 HA ASP 45 HA ASP 45 6.212 10.085 -2.879
297 HB2 ASP 45 2HB ASP 45 9.118 10.878 -2.646
298 HB3 ASP 45 1HB ASP 45 8.473 9.750 -3.827
299 H TYR 46 H TYR 46 6.308 7.962 -2.574
300 HA TYR 46 HA TYR 46 7.946 7.108 -0.322
301 HB2 TYR 46 2HB TYR 46 5.655 6.857 0.294
302 HB3 TYR 46 1HB TYR 46 5.326 5.918 -1.154
303 HD1 TYR 46 2HD TYR 46 8.000 5.790 1.521
304 HD2 TYR 46 1HD TYR 46 5.049 3.913 -0.691
305 HE1 TYR 46 2HE TYR 46 8.638 3.692 2.612
306 HE2 TYR 46 1HE TYR 46 5.633 1.679 0.338
307 HH TYR 46 HH TYR 46 7.567 1.410 3.077
308 H ILE 47 H ILE 47 9.271 6.073 -0.550
309 HA ILE 47 HA ILE 47 9.937 4.577 -3.061
310 HB ILE 47 HB ILE 47 12.005 5.543 -1.048
311 HG12 ILE 47 2HG1 ILE 47 10.888 7.344 -2.350
312 HG13 ILE 47 1HG1 ILE 47 12.614 7.210 -2.722
313 HG21 ILE 47 1HG2 ILE 47 12.736 3.490 -2.212
314 HG22 ILE 47 2HG2 ILE 47 13.673 4.894 -2.735
315 HG23 ILE 47 3HG2 ILE 47 12.386 4.259 -3.757
316 HD11 ILE 47 3HD1 ILE 47 11.305 7.635 -4.713
317 HD12 ILE 47 1HD1 ILE 47 10.302 6.210 -4.388
318 HD13 ILE 47 2HD1 ILE 47 12.014 6.015 -4.774
319 H CYS 48 H CYS 48 9.837 2.469 -3.032
320 HA CYS 48 HA CYS 48 9.615 1.095 -0.472
321 HB2 CYS 48 2HB CYS 48 8.800 -0.724 -1.632
322 HB3 CYS 48 1HB CYS 48 8.074 0.571 -2.538
323 H ILE 49 H ILE 49 10.853 -1.243 -0.548
324 HA ILE 49 HA ILE 49 13.547 -0.640 -0.635
325 HB ILE 49 HB ILE 49 13.883 -2.939 0.044
326 HG12 ILE 49 2HG1 ILE 49 11.799 -3.923 0.821
327 HG13 ILE 49 1HG1 ILE 49 10.931 -3.102 -0.456
328 HG21 ILE 49 1HG2 ILE 49 12.611 -2.633 2.150
329 HG22 ILE 49 2HG2 ILE 49 11.684 -1.414 1.226
330 HG23 ILE 49 3HG2 ILE 49 13.396 -1.127 1.561
331 HD11 ILE 49 3HD1 ILE 49 13.131 -5.177 -0.798
332 HD12 ILE 49 1HD1 ILE 49 12.468 -4.217 -2.123
333 HD13 ILE 49 2HD1 ILE 49 11.435 -5.353 -1.259
334 H ASN 50 H ASN 50 11.460 -2.039 -2.794
335 HA ASN 50 HA ASN 50 13.435 -3.223 -4.583
336 HB2 ASN 50 2HB ASN 50 10.478 -2.739 -5.017
337 HB3 ASN 50 1HB ASN 50 11.532 -3.370 -6.265
338 HD21 ASN 50 1HD2 ASN 50 9.196 -4.606 -5.000
339 HD22 ASN 50 2HD2 ASN 50 9.771 -6.042 -4.263
340 H CYS 51 H CYS 51 11.998 -0.057 -4.226
341 HA CYS 51 HA CYS 51 13.028 0.760 -6.789
342 HB2 CYS 51 2HB CYS 51 11.301 2.163 -4.712
343 HB3 CYS 51 1HB CYS 51 12.060 2.979 -6.068
344 H ALA 52 H ALA 52 14.106 0.371 -3.731
345 HA ALA 52 HA ALA 52 15.719 2.763 -3.522
346 HB1 ALA 52 3HB ALA 52 15.895 0.243 -1.859
347 HB2 ALA 52 1HB ALA 52 14.888 1.644 -1.496
348 HB3 ALA 52 2HB ALA 52 16.634 1.802 -1.486
349 HA ALA 301 HA ALA 301 3.465 8.745 -4.220
350 HB1 ALA 301 2HB ALA 301 3.012 6.655 -3.061
351 HB2 ALA 301 3HB ALA 301 2.415 7.539 -1.664
352 HB3 ALA 301 1HB ALA 301 4.121 7.665 -2.124
353 H ARG 302 H ARG 302 1.979 6.996 -4.977
354 HA ARG 302 HA ARG 302 -0.652 8.132 -5.436
355 HB2 ARG 302 2HB ARG 302 0.518 5.508 -6.411
356 HB3 ARG 302 1HB ARG 302 -0.958 6.245 -6.994
357 HG2 ARG 302 2HG ARG 302 1.827 7.355 -7.329
358 HG3 ARG 302 1HG ARG 302 0.881 6.536 -8.566
359 HD2 ARG 302 2HD ARG 302 0.082 9.125 -7.213
360 HD3 ARG 302 1HD ARG 302 0.824 8.999 -8.813
361 HE ARG 302 HE ARG 302 -1.269 7.439 -9.101
362 HH11 ARG 302 1HH1 ARG 302 -1.088 10.707 -7.655
363 HH12 ARG 302 2HH1 ARG 302 -2.677 11.107 -8.093
364 HH21 ARG 302 1HH2 ARG 302 -3.520 8.129 -9.745
365 HH22 ARG 302 2HH2 ARG 302 -4.024 9.677 -9.268
366 H THR 303 H THR 303 -2.330 7.653 -4.116
367 HA THR 303 HA THR 303 -2.085 5.207 -2.559
368 HB THR 303 HB THR 303 -3.350 6.498 -0.746
369 HG1 THR 303 1HG THR 303 -2.189 8.825 -1.906
370 HG21 THR 303 3HG2 THR 303 -1.253 7.378 0.177
371 HG22 THR 303 1HG2 THR 303 -0.518 7.293 -1.435
372 HG23 THR 303 2HG2 THR 303 -1.014 5.813 -0.606
373 H M3L 304 H M3L 304 -4.123 4.312 -1.776
374 HA M3L 304 HA M3L 304 -6.607 5.143 -3.010
375 HB2 M3L 304 1HB M3L 304 -5.634 3.951 -4.940
376 HB3 M3L 304 2HB M3L 304 -6.924 2.978 -4.192
377 HG2 M3L 304 1HG M3L 304 -5.467 1.613 -3.099
378 HG3 M3L 304 2HG M3L 304 -4.078 2.626 -3.563
379 HD2 M3L 304 1HD M3L 304 -3.987 0.729 -4.896
380 HD3 M3L 304 2HD M3L 304 -4.504 2.082 -5.886
381 HE2 M3L 304 1HE M3L 304 -6.800 1.321 -5.799
382 HE3 M3L 304 2HE M3L 304 -6.279 -0.023 -4.779
383 HM11 M3L 304 1HM1 M3L 304 -3.613 -0.566 -6.337
384 HM12 M3L 304 2HM1 M3L 304 -4.227 -1.650 -7.493
385 HM13 M3L 304 3HM1 M3L 304 -4.678 -1.846 -5.831
386 HM21 M3L 304 1HM2 M3L 304 -4.394 1.207 -7.872
387 HM22 M3L 304 2HM2 M3L 304 -6.075 1.557 -8.045
388 HM23 M3L 304 3HM2 M3L 304 -5.382 0.263 -8.937
389 HM31 M3L 304 3HM3 M3L 304 -6.516 -1.933 -7.714
390 HM32 M3L 304 1HM3 M3L 304 -7.499 -0.529 -7.849
391 HM33 M3L 304 2HM3 M3L 304 -7.372 -1.366 -6.338
392 H GLN 305 H GLN 305 -8.311 3.436 -2.525
393 HA GLN 305 HA GLN 305 -7.705 1.713 -0.282
394 HB2 GLN 305 2HB GLN 305 -8.503 3.923 0.614
395 HB3 GLN 305 1HB GLN 305 -9.972 3.716 -0.329
396 HG2 GLN 305 2HG GLN 305 -10.530 1.738 0.949
397 HG3 GLN 305 1HG GLN 305 -9.036 1.909 1.881
398 HE21 GLN 305 1HE2 GLN 305 -8.845 3.643 3.314
399 HE22 GLN 305 2HE2 GLN 305 -10.224 4.468 3.908
400 H THR 306 H THR 306 -8.686 -0.190 -0.650
401 HA THR 306 HA THR 306 -10.622 -0.265 -2.878
402 HB THR 306 HB THR 306 -10.086 -2.700 -3.043
403 HG1 THR 306 1HG THR 306 -9.349 -2.535 -0.722
404 HG21 THR 306 3HG2 THR 306 -8.753 -1.092 -4.445
405 HG22 THR 306 1HG2 THR 306 -7.790 -2.480 -3.953
406 HG23 THR 306 2HG2 THR 306 -7.567 -0.981 -3.140
407 H ALA 307 H ALA 307 -12.700 -0.511 -2.304
408 HA ALA 307 HA ALA 307 -13.325 -1.380 0.378
409 HB1 ALA 307 1HB ALA 307 -14.484 0.595 -0.599
410 HB2 ALA 307 2HB ALA 307 -15.587 -0.661 -0.080
411 HB3 ALA 307 3HB ALA 307 -15.219 -0.468 -1.801
412 H ARG 308 H ARG 308 -13.668 -3.370 0.854
413 HA ARG 308 HA ARG 308 -14.280 -5.285 -1.268
414 HB2 ARG 308 2HB ARG 308 -13.324 -5.762 1.556
415 HB3 ARG 308 1HB ARG 308 -13.450 -6.982 0.308
416 HG2 ARG 308 2HG ARG 308 -11.594 -4.612 0.286
417 HG3 ARG 308 1HG ARG 308 -11.149 -6.285 0.612
418 HD2 ARG 308 2HD ARG 308 -11.691 -6.934 -1.637
419 HD3 ARG 308 1HD ARG 308 -12.387 -5.356 -1.986
420 HE ARG 308 HE ARG 308 -9.945 -4.668 -1.355
421 HH11 ARG 308 1HH1 ARG 308 -11.002 -7.354 -3.409
422 HH12 ARG 308 2HH1 ARG 308 -9.658 -7.252 -4.450
423 HH21 ARG 308 1HH2 ARG 308 -8.142 -4.514 -2.833
424 HH22 ARG 308 2HH2 ARG 308 -8.004 -5.642 -4.125
425 H LYS 309 H LYS 309 -15.991 -6.649 -1.148
426 HA LYS 309 HA LYS 309 -18.177 -5.736 0.583
427 HB2 LYS 309 2HB LYS 309 -18.254 -7.385 -1.950
428 HB3 LYS 309 1HB LYS 309 -19.653 -6.755 -1.081
429 HG2 LYS 309 2HG LYS 309 -19.004 -4.492 -1.554
430 HG3 LYS 309 1HG LYS 309 -17.519 -5.040 -2.314
431 HD2 LYS 309 2HD LYS 309 -18.836 -6.192 -4.044
432 HD3 LYS 309 1HD LYS 309 -20.319 -5.630 -3.281
433 HE2 LYS 309 2HE LYS 309 -19.733 -3.340 -3.712
434 HE3 LYS 309 1HE LYS 309 -18.160 -3.824 -4.348
435 HZ1 LYS 309 3HZ LYS 309 -19.717 -3.356 -6.119
436 HZ2 LYS 309 1HZ LYS 309 -20.791 -4.519 -5.550
437 HZ3 LYS 309 2HZ LYS 309 -19.279 -4.972 -6.149