NMR Restraints Grid
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NMR Restraints Grid |
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Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
586564 |
2mj4   |
19704 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 H1 LEU 1 H1 LEU 1 -5.465 -15.332 2.788
2 H2 LEU 1 H2 LEU 1 -6.313 -16.152 1.625
3 H3 LEU 1 H3 LEU 1 -7.063 -14.984 2.528
4 HA LEU 1 HA LEU 1 -5.484 -14.782 0.208
5 HB2 LEU 1 HB2 LEU 1 -7.731 -14.047 0.174
6 HB3 LEU 1 HB3 LEU 1 -7.525 -13.075 1.617
7 HG LEU 1 HG LEU 1 -5.792 -11.746 0.171
8 HD11 LEU 1 HD11 LEU 1 -5.649 -13.173 -1.736
9 HD12 LEU 1 HD12 LEU 1 -7.416 -13.165 -1.952
10 HD13 LEU 1 HD13 LEU 1 -6.478 -11.680 -2.240
11 HD21 LEU 1 HD21 LEU 1 -8.788 -11.595 0.116
12 HD22 LEU 1 HD22 LEU 1 -7.605 -10.532 0.915
13 HD23 LEU 1 HD23 LEU 1 -7.821 -10.455 -0.850
14 H GLU 2 H GLU 2 -3.678 -13.531 -0.173
15 HA GLU 2 HA GLU 2 -2.570 -12.300 2.226
16 HB2 GLU 2 HB2 GLU 2 -0.980 -13.114 -0.231
17 HB3 GLU 2 HB3 GLU 2 -0.377 -12.776 1.379
18 HG2 GLU 2 HG2 GLU 2 -1.503 -14.789 2.269
19 HG3 GLU 2 HG3 GLU 2 -2.246 -15.099 0.713
20 H CYS 3 H CYS 3 -1.608 -10.186 2.075
21 HA CYS 3 HA CYS 3 -2.046 -8.822 -0.465
22 HB2 CYS 3 HB2 CYS 3 -2.854 -7.567 2.156
23 HB3 CYS 3 HB3 CYS 3 -3.123 -6.956 0.536
24 H HIS 4 H HIS 4 -0.379 -7.337 -0.926
25 HA HIS 4 HA HIS 4 2.000 -7.626 0.498
26 HB2 HIS 4 HB2 HIS 4 1.024 -5.863 -1.719
27 HB3 HIS 4 HB3 HIS 4 2.542 -5.466 -0.939
28 HD1 HIS 4 HD1 HIS 4 4.554 -7.101 -1.288
29 HD2 HIS 4 HD2 HIS 4 1.047 -8.210 -3.305
30 HE1 HIS 4 HE1 HIS 4 5.229 -8.915 -2.951
31 HE2 HIS 4 HE2 HIS 4 3.024 -9.595 -4.122
32 H ASN 5 H ASN 5 3.037 -6.359 2.052
33 HA ASN 5 HA ASN 5 1.375 -4.208 3.108
34 HB2 ASN 5 HB2 ASN 5 2.017 -4.819 5.335
35 HB3 ASN 5 HB3 ASN 5 1.692 -6.351 4.551
36 HD21 ASN 5 HD21 ASN 5 3.109 -7.859 4.925
37 HD22 ASN 5 HD22 ASN 5 4.806 -7.666 5.217
38 H GLN 6 H GLN 6 3.909 -4.668 1.172
39 HA GLN 6 HA GLN 6 6.040 -3.436 2.503
40 HB2 GLN 6 HB2 GLN 6 6.821 -3.073 0.024
41 HB3 GLN 6 HB3 GLN 6 6.694 -4.706 0.648
42 HG2 GLN 6 HG2 GLN 6 4.795 -5.201 -0.611
43 HG3 GLN 6 HG3 GLN 6 4.223 -3.544 -0.608
44 HE21 GLN 6 HE21 GLN 6 5.260 -5.866 -2.552
45 HE22 GLN 6 HE22 GLN 6 6.052 -4.980 -3.812
46 H GLN 7 H GLN 7 6.786 -1.266 2.473
47 HA GLN 7 HA GLN 7 4.736 0.609 1.603
48 HB2 GLN 7 HB2 GLN 7 6.983 1.382 3.462
49 HB3 GLN 7 HB3 GLN 7 5.359 2.034 3.363
50 HG2 GLN 7 HG2 GLN 7 6.037 -0.779 4.348
51 HG3 GLN 7 HG3 GLN 7 5.728 0.591 5.396
52 HE21 GLN 7 HE21 GLN 7 3.962 -0.360 6.346
53 HE22 GLN 7 HE22 GLN 7 2.432 -0.553 5.558
54 H SER 8 H SER 8 5.542 2.752 0.733
55 HA SER 8 HA SER 8 6.510 3.630 -1.050
56 HB2 SER 8 HB2 SER 8 9.091 3.154 0.484
57 HB3 SER 8 HB3 SER 8 8.689 4.519 -0.538
58 HG SER 8 HG SER 8 8.430 4.474 2.052
59 H SER 9 H SER 9 9.651 2.922 -1.340
60 HA SER 9 HA SER 9 9.111 0.919 -3.335
61 HB2 SER 9 HB2 SER 9 11.607 2.549 -2.691
62 HB3 SER 9 HB3 SER 9 11.517 1.384 -3.997
63 HG SER 9 HG SER 9 9.405 2.853 -4.445
64 H GLN 10 H GLN 10 9.739 0.898 -0.076
65 HA GLN 10 HA GLN 10 11.882 -0.619 0.411
66 HB2 GLN 10 HB2 GLN 10 9.176 -1.150 1.702
67 HB3 GLN 10 HB3 GLN 10 10.756 -1.381 2.424
68 HG2 GLN 10 HG2 GLN 10 9.367 1.237 1.751
69 HG3 GLN 10 HG3 GLN 10 9.957 0.696 3.309
70 HE21 GLN 10 HE21 GLN 10 10.509 3.135 1.807
71 HE22 GLN 10 HE22 GLN 10 12.225 3.236 1.594
72 HA PRO 11 HA PRO 11 11.675 -4.717 -1.068
73 HB2 PRO 11 HB2 PRO 11 11.421 -5.679 1.758
74 HB3 PRO 11 HB3 PRO 11 12.632 -6.117 0.495
75 HG2 PRO 11 HG2 PRO 11 13.287 -4.498 2.482
76 HG3 PRO 11 HG3 PRO 11 13.811 -4.137 0.795
77 HD2 PRO 11 HD2 PRO 11 11.546 -2.973 2.388
78 HD3 PRO 11 HD3 PRO 11 12.757 -2.145 1.339
79 HA PRO 12 HA PRO 12 7.298 -5.534 -1.341
80 HB2 PRO 12 HB2 PRO 12 8.386 -8.066 -2.517
81 HB3 PRO 12 HB3 PRO 12 7.175 -6.911 -3.187
82 HG2 PRO 12 HG2 PRO 12 9.651 -6.952 -4.117
83 HG3 PRO 12 HG3 PRO 12 8.817 -5.385 -3.799
84 HD2 PRO 12 HD2 PRO 12 10.855 -6.842 -2.141
85 HD3 PRO 12 HD3 PRO 12 10.750 -5.089 -2.553
86 H THR 13 H THR 13 6.005 -6.395 0.314
87 HA THR 13 HA THR 13 6.836 -8.958 1.479
88 HB THR 13 HB THR 13 6.017 -7.805 3.711
89 HG1 THR 13 HG1 THR 13 5.713 -5.625 3.421
90 HG21 THR 13 HG21 THR 13 8.267 -6.666 4.031
91 HG22 THR 13 HG22 THR 13 8.406 -8.340 3.443
92 HG23 THR 13 HG23 THR 13 8.615 -6.980 2.313
93 H THR 14 H THR 14 4.937 -9.753 3.002
94 HA THR 14 HA THR 14 2.351 -9.013 1.893
95 HB THR 14 HB THR 14 2.006 -11.608 1.553
96 HG1 THR 14 HG1 THR 14 4.084 -12.163 2.505
97 HG21 THR 14 HG21 THR 14 3.160 -11.533 -0.722
98 HG22 THR 14 HG22 THR 14 2.064 -10.161 -0.429
99 HG23 THR 14 HG23 THR 14 3.823 -9.945 -0.266
100 H LYS 15 H LYS 15 0.537 -9.903 3.138
101 HA LYS 15 HA LYS 15 1.249 -11.047 5.696
102 HB2 LYS 15 HB2 LYS 15 1.415 -8.451 5.788
103 HB3 LYS 15 HB3 LYS 15 -0.336 -8.484 5.724
104 HG2 LYS 15 HG2 LYS 15 1.046 -10.303 7.698
105 HG3 LYS 15 HG3 LYS 15 0.985 -8.590 8.061
106 HD2 LYS 15 HD2 LYS 15 -1.609 -8.918 7.373
107 HD3 LYS 15 HD3 LYS 15 -1.274 -10.571 7.850
108 HE2 LYS 15 HE2 LYS 15 -0.601 -9.888 10.083
109 HE3 LYS 15 HE3 LYS 15 -0.568 -8.196 9.628
110 HZ1 LYS 15 HZ1 LYS 15 -2.582 -8.507 10.689
111 HZ2 LYS 15 HZ2 LYS 15 -3.000 -8.519 9.110
112 HZ3 LYS 15 HZ3 LYS 15 -2.908 -9.922 9.941
113 H THR 16 H THR 16 -0.560 -12.058 6.741
114 HA THR 16 HA THR 16 -2.578 -12.860 4.857
115 HB THR 16 HB THR 16 -2.439 -13.554 7.819
116 HG1 THR 16 HG1 THR 16 -0.851 -14.392 5.499
117 HG21 THR 16 HG21 THR 16 -4.140 -14.881 6.915
118 HG22 THR 16 HG22 THR 16 -3.463 -14.800 5.271
119 HG23 THR 16 HG23 THR 16 -2.739 -15.889 6.479
120 H CYS 17 H CYS 17 -4.660 -12.225 4.678
121 HA CYS 17 HA CYS 17 -5.381 -9.907 6.230
122 HB2 CYS 17 HB2 CYS 17 -7.115 -11.218 4.154
123 HB3 CYS 17 HB3 CYS 17 -7.094 -9.545 4.674
124 H SER 18 H SER 18 -6.587 -10.061 8.092
125 HA SER 18 HA SER 18 -7.890 -12.615 8.560
126 HB2 SER 18 HB2 SER 18 -6.149 -11.579 10.189
127 HB3 SER 18 HB3 SER 18 -7.404 -10.435 10.621
128 HG SER 18 HG SER 18 -8.534 -11.978 11.659
129 H GLY 19 H GLY 19 -10.078 -12.686 8.223
130 HA2 GLY 19 HA2 GLY 19 -12.257 -12.071 8.412
131 HA3 GLY 19 HA3 GLY 19 -11.778 -10.580 9.200
132 H GLU 20 H GLU 20 -9.770 -10.443 6.656
133 HA GLU 20 HA GLU 20 -11.756 -9.030 5.070
134 HB2 GLU 20 HB2 GLU 20 -8.749 -8.748 4.775
135 HB3 GLU 20 HB3 GLU 20 -9.997 -7.614 4.299
136 HG2 GLU 20 HG2 GLU 20 -10.583 -7.268 6.720
137 HG3 GLU 20 HG3 GLU 20 -9.298 -8.369 7.176
138 H THR 21 H THR 21 -11.443 -9.089 2.633
139 HA THR 21 HA THR 21 -10.111 -11.525 1.713
140 HB THR 21 HB THR 21 -12.297 -11.937 0.350
141 HG1 THR 21 HG1 THR 21 -13.989 -10.621 0.999
142 HG21 THR 21 HG21 THR 21 -13.525 -12.924 2.350
143 HG22 THR 21 HG22 THR 21 -11.824 -13.436 2.241
144 HG23 THR 21 HG23 THR 21 -12.301 -12.175 3.404
145 H ASN 22 H ASN 22 -9.916 -8.397 1.626
146 HA ASN 22 HA ASN 22 -9.512 -8.393 -1.253
147 HB2 ASN 22 HB2 ASN 22 -10.673 -6.104 0.422
148 HB3 ASN 22 HB3 ASN 22 -10.228 -5.963 -1.267
149 HD21 ASN 22 HD21 ASN 22 -12.373 -7.495 1.042
150 HD22 ASN 22 HD22 ASN 22 -13.635 -7.943 -0.057
151 H CYS 23 H CYS 23 -7.770 -6.806 -1.907
152 HA CYS 23 HA CYS 23 -6.019 -6.190 0.361
153 HB2 CYS 23 HB2 CYS 23 -5.177 -6.830 -2.472
154 HB3 CYS 23 HB3 CYS 23 -4.119 -6.490 -1.118
155 H TYR 24 H TYR 24 -5.227 -4.055 0.471
156 HA TYR 24 HA TYR 24 -6.192 -2.265 -1.658
157 HB2 TYR 24 HB2 TYR 24 -6.630 -0.703 0.139
158 HB3 TYR 24 HB3 TYR 24 -7.130 -2.241 0.814
159 HD1 TYR 24 HD1 TYR 24 -4.541 0.384 0.884
160 HD2 TYR 24 HD2 TYR 24 -5.884 -3.289 2.621
161 HE1 TYR 24 HE1 TYR 24 -2.947 0.716 2.836
162 HE2 TYR 24 HE2 TYR 24 -4.285 -2.944 4.567
163 HH TYR 24 HH TYR 24 -3.158 -1.158 5.674
164 H LYS 25 H LYS 25 -4.835 -0.426 -2.196
165 HA LYS 25 HA LYS 25 -2.106 -0.584 -1.180
166 HB2 LYS 25 HB2 LYS 25 -1.855 -1.923 -3.095
167 HB3 LYS 25 HB3 LYS 25 -2.942 -0.939 -4.054
168 HG2 LYS 25 HG2 LYS 25 -1.351 0.811 -4.307
169 HG3 LYS 25 HG3 LYS 25 -0.409 0.289 -2.925
170 HD2 LYS 25 HD2 LYS 25 0.822 -0.339 -4.917
171 HD3 LYS 25 HD3 LYS 25 0.209 -1.813 -4.196
172 HE2 LYS 25 HE2 LYS 25 -0.115 -1.701 -6.702
173 HE3 LYS 25 HE3 LYS 25 -1.604 -1.957 -5.813
174 HZ1 LYS 25 HZ1 LYS 25 -0.933 0.794 -6.230
175 HZ2 LYS 25 HZ2 LYS 25 -1.240 -0.034 -7.604
176 HZ3 LYS 25 HZ3 LYS 25 -2.364 0.030 -6.420
177 H LYS 26 H LYS 26 -1.591 1.393 -0.430
178 HA LYS 26 HA LYS 26 -2.943 3.671 -1.697
179 HB2 LYS 26 HB2 LYS 26 -1.686 3.858 1.013
180 HB3 LYS 26 HB3 LYS 26 -3.052 4.730 0.348
181 HG2 LYS 26 HG2 LYS 26 -4.461 2.704 0.468
182 HG3 LYS 26 HG3 LYS 26 -3.094 1.745 0.999
183 HD2 LYS 26 HD2 LYS 26 -4.340 4.084 2.520
184 HD3 LYS 26 HD3 LYS 26 -4.511 2.388 2.926
185 HE2 LYS 26 HE2 LYS 26 -1.840 2.436 2.961
186 HE3 LYS 26 HE3 LYS 26 -2.070 4.160 3.178
187 HZ1 LYS 26 HZ1 LYS 26 -2.514 2.063 5.020
188 HZ2 LYS 26 HZ2 LYS 26 -2.373 3.666 5.294
189 HZ3 LYS 26 HZ3 LYS 26 -3.825 3.030 4.900
190 H TRP 27 H TRP 27 -1.726 5.447 -2.402
191 HA TRP 27 HA TRP 27 1.091 5.534 -1.890
192 HB2 TRP 27 HB2 TRP 27 1.890 5.212 -4.096
193 HB3 TRP 27 HB3 TRP 27 0.955 3.798 -3.650
194 HD1 TRP 27 HD1 TRP 27 0.974 6.665 -6.171
195 HE1 TRP 27 HE1 TRP 27 -0.876 6.351 -8.026
196 HE3 TRP 27 HE3 TRP 27 -1.385 2.773 -3.902
197 HZ2 TRP 27 HZ2 TRP 27 -3.069 4.550 -8.330
198 HZ3 TRP 27 HZ3 TRP 27 -3.373 1.795 -5.045
199 HH2 TRP 27 HH2 TRP 27 -4.220 2.621 -7.183
200 H TRP 28 H TRP 28 1.900 7.646 -2.362
201 HA TRP 28 HA TRP 28 0.308 9.473 -3.882
202 HB2 TRP 28 HB2 TRP 28 -0.211 11.022 -2.113
203 HB3 TRP 28 HB3 TRP 28 -0.982 9.476 -1.819
204 HD1 TRP 28 HD1 TRP 28 1.524 11.872 -0.259
205 HE1 TRP 28 HE1 TRP 28 2.298 11.073 2.135
206 HE3 TRP 28 HE3 TRP 28 -0.573 7.249 -0.546
207 HZ2 TRP 28 HZ2 TRP 28 1.954 8.652 3.606
208 HZ3 TRP 28 HZ3 TRP 28 -0.308 5.729 1.412
209 HH2 TRP 28 HH2 TRP 28 0.904 6.365 3.437
210 H SER 29 H SER 29 1.442 11.753 -3.689
211 HA SER 29 HA SER 29 4.290 11.180 -3.563
212 HB2 SER 29 HB2 SER 29 2.646 13.210 -5.110
213 HB3 SER 29 HB3 SER 29 4.374 13.421 -4.911
214 HG SER 29 HG SER 29 3.138 11.930 -6.746
215 H ASP 30 H ASP 30 5.734 12.860 -2.623
216 HA ASP 30 HA ASP 30 4.383 14.823 -1.003
217 HB2 ASP 30 HB2 ASP 30 6.262 12.682 0.095
218 HB3 ASP 30 HB3 ASP 30 5.856 14.138 0.981
219 H HIS 31 H HIS 31 6.187 16.287 0.086
220 HA HIS 31 HA HIS 31 7.982 17.048 -1.938
221 HB2 HIS 31 HB2 HIS 31 8.011 17.906 0.964
222 HB3 HIS 31 HB3 HIS 31 8.676 18.771 -0.407
223 HD1 HIS 31 HD1 HIS 31 5.582 18.336 1.554
224 HD2 HIS 31 HD2 HIS 31 6.632 19.837 -2.219
225 HE1 HIS 31 HE1 HIS 31 3.591 19.717 0.755
226 HE2 HIS 31 HE2 HIS 31 4.317 20.658 -1.544
227 H ARG 32 H ARG 32 8.070 14.507 0.321
228 HA ARG 32 HA ARG 32 10.963 14.609 0.450
229 HB2 ARG 32 HB2 ARG 32 9.765 14.255 2.598
230 HB3 ARG 32 HB3 ARG 32 8.938 12.859 1.935
231 HG2 ARG 32 HG2 ARG 32 10.949 11.562 1.834
232 HG3 ARG 32 HG3 ARG 32 11.975 12.975 1.981
233 HD2 ARG 32 HD2 ARG 32 11.592 11.433 4.091
234 HD3 ARG 32 HD3 ARG 32 11.621 13.173 4.297
235 HE ARG 32 HE ARG 32 9.333 13.137 4.816
236 HH11 ARG 32 HH22 ARG 32 10.240 10.081 3.324
237 HH12 ARG 32 HH21 ARG 32 8.716 9.324 3.649
238 HH21 ARG 32 HH12 ARG 32 7.323 12.138 5.245
239 HH22 ARG 32 HH11 ARG 32 7.046 10.502 4.749
240 H GLY 33 H GLY 33 8.192 12.894 -0.930
241 HA2 GLY 33 HA2 GLY 33 9.342 11.715 -3.029
242 HA3 GLY 33 HA3 GLY 33 9.765 10.592 -1.752
243 H THR 34 H THR 34 8.320 9.264 -3.396
244 HA THR 34 HA THR 34 5.480 9.699 -2.965
245 HB THR 34 HB THR 34 7.188 7.844 -4.688
246 HG1 THR 34 HG1 THR 34 5.035 9.674 -5.372
247 HG21 THR 34 HG21 THR 34 4.671 7.605 -5.711
248 HG22 THR 34 HG22 THR 34 5.346 6.421 -4.566
249 HG23 THR 34 HG23 THR 34 4.267 7.711 -3.981
250 H ILE 35 H ILE 35 4.491 8.979 -1.195
251 HA ILE 35 HA ILE 35 5.718 6.782 0.251
252 HB ILE 35 HB ILE 35 3.427 8.635 0.913
253 HG12 ILE 35 HG12 ILE 35 6.346 8.588 1.695
254 HG13 ILE 35 HG13 ILE 35 5.455 9.874 0.906
255 HG21 ILE 35 HG21 ILE 35 3.031 6.548 2.024
256 HG22 ILE 35 HG22 ILE 35 4.727 6.447 2.553
257 HG23 ILE 35 HG23 ILE 35 3.662 7.708 3.217
258 HD11 ILE 35 HD11 ILE 35 5.150 8.910 3.780
259 HD12 ILE 35 HD12 ILE 35 5.679 10.514 3.219
260 HD13 ILE 35 HD13 ILE 35 3.986 10.009 3.002
261 H ILE 36 H ILE 36 4.888 4.726 0.397
262 HA ILE 36 HA ILE 36 2.294 4.289 -0.897
263 HB ILE 36 HB ILE 36 4.656 2.456 -1.257
264 HG12 ILE 36 HG12 ILE 36 3.729 4.667 -3.115
265 HG13 ILE 36 HG13 ILE 36 5.232 4.641 -2.215
266 HG21 ILE 36 HG21 ILE 36 1.972 2.029 -1.645
267 HG22 ILE 36 HG22 ILE 36 2.518 2.525 -3.265
268 HG23 ILE 36 HG23 ILE 36 3.292 1.146 -2.449
269 HD11 ILE 36 HD11 ILE 36 5.655 3.895 -4.509
270 HD12 ILE 36 HD12 ILE 36 5.879 2.518 -3.404
271 HD13 ILE 36 HD13 ILE 36 4.391 2.650 -4.371
272 H GLU 37 H GLU 37 0.892 3.243 0.411
273 HA GLU 37 HA GLU 37 2.076 1.575 2.484
274 HB2 GLU 37 HB2 GLU 37 1.394 3.678 3.542
275 HB3 GLU 37 HB3 GLU 37 -0.195 3.583 2.810
276 HG2 GLU 37 HG2 GLU 37 -0.560 2.759 5.000
277 HG3 GLU 37 HG3 GLU 37 -0.440 1.299 4.039
278 H ARG 38 H ARG 38 1.425 -0.503 2.158
279 HA ARG 38 HA ARG 38 -1.260 -0.831 1.078
280 HB2 ARG 38 HB2 ARG 38 1.036 -2.814 0.733
281 HB3 ARG 38 HB3 ARG 38 -0.496 -2.810 -0.118
282 HG2 ARG 38 HG2 ARG 38 0.084 -0.895 -1.418
283 HG3 ARG 38 HG3 ARG 38 1.361 -0.416 -0.317
284 HD2 ARG 38 HD2 ARG 38 2.802 -2.219 -1.036
285 HD3 ARG 38 HD3 ARG 38 1.491 -3.044 -1.856
286 HE ARG 38 HE ARG 38 1.754 -0.432 -2.994
287 HH11 ARG 38 HH22 ARG 38 3.493 -3.487 -2.838
288 HH12 ARG 38 HH21 ARG 38 4.285 -3.261 -4.362
289 HH21 ARG 38 HH12 ARG 38 2.797 -0.133 -5.004
290 HH22 ARG 38 HH11 ARG 38 3.886 -1.340 -5.603
291 H GLY 39 H GLY 39 -2.311 -2.983 1.733
292 HA2 GLY 39 HA2 GLY 39 -1.277 -4.532 3.852
293 HA3 GLY 39 HA3 GLY 39 -2.327 -3.290 4.505
294 H CYS 40 H CYS 40 -3.414 -5.550 5.081
295 HA CYS 40 HA CYS 40 -4.908 -6.655 2.891
296 HB2 CYS 40 HB2 CYS 40 -4.604 -7.297 5.805
297 HB3 CYS 40 HB3 CYS 40 -5.962 -7.950 4.910
298 H GLY 41 H GLY 41 -7.291 -6.631 2.825
299 HA2 GLY 41 HA2 GLY 41 -9.374 -5.867 3.529
300 HA3 GLY 41 HA3 GLY 41 -8.609 -4.675 4.561
301 H CYS 42 H CYS 42 -10.270 -3.221 3.476
302 HA CYS 42 HA CYS 42 -8.984 -1.979 1.197
303 HB2 CYS 42 HB2 CYS 42 -10.525 -3.432 0.088
304 HB3 CYS 42 HB3 CYS 42 -11.832 -2.981 1.164
305 HA PRO 43 HA PRO 43 -10.444 0.786 4.635
306 HB2 PRO 43 HB2 PRO 43 -8.099 2.190 4.725
307 HB3 PRO 43 HB3 PRO 43 -8.313 0.616 5.578
308 HG2 PRO 43 HG2 PRO 43 -7.068 1.183 2.907
309 HG3 PRO 43 HG3 PRO 43 -6.451 0.171 4.266
310 HD2 PRO 43 HD2 PRO 43 -7.698 -0.894 2.136
311 HD3 PRO 43 HD3 PRO 43 -7.908 -1.550 3.803
312 H LYS 44 H LYS 44 -10.124 3.376 4.640
313 HA LYS 44 HA LYS 44 -10.554 4.218 1.858
314 HB2 LYS 44 HB2 LYS 44 -12.564 4.200 3.420
315 HB3 LYS 44 HB3 LYS 44 -11.782 5.485 4.317
316 HG2 LYS 44 HG2 LYS 44 -13.199 6.609 2.757
317 HG3 LYS 44 HG3 LYS 44 -11.588 6.762 2.084
318 HD2 LYS 44 HD2 LYS 44 -11.992 5.174 0.384
319 HD3 LYS 44 HD3 LYS 44 -13.275 4.384 1.279
320 HE2 LYS 44 HE2 LYS 44 -14.100 5.773 -0.669
321 HE3 LYS 44 HE3 LYS 44 -14.817 6.220 0.866
322 HZ1 LYS 44 HZ1 LYS 44 -13.412 7.841 -0.835
323 HZ2 LYS 44 HZ2 LYS 44 -13.966 8.223 0.653
324 HZ3 LYS 44 HZ3 LYS 44 -12.446 7.655 0.468
325 H VAL 45 H VAL 45 -9.499 6.072 1.120
326 HA VAL 45 HA VAL 45 -7.515 7.140 3.008
327 HB VAL 45 HB VAL 45 -6.078 7.511 1.109
328 HG11 VAL 45 HG11 VAL 45 -7.209 4.701 1.270
329 HG12 VAL 45 HG12 VAL 45 -5.721 5.121 0.388
330 HG13 VAL 45 HG13 VAL 45 -5.813 5.370 2.148
331 HG21 VAL 45 HG21 VAL 45 -6.819 6.416 -1.129
332 HG22 VAL 45 HG22 VAL 45 -8.468 6.593 -0.483
333 HG23 VAL 45 HG23 VAL 45 -7.443 8.030 -0.712
334 H LYS 46 H LYS 46 -6.866 9.463 2.505
335 HA LYS 46 HA LYS 46 -9.308 10.966 2.148
336 HB2 LYS 46 HB2 LYS 46 -6.594 12.131 2.746
337 HB3 LYS 46 HB3 LYS 46 -8.178 12.752 3.168
338 HG2 LYS 46 HG2 LYS 46 -8.425 10.510 4.544
339 HG3 LYS 46 HG3 LYS 46 -6.682 10.416 4.399
340 HD2 LYS 46 HD2 LYS 46 -6.664 12.878 5.282
341 HD3 LYS 46 HD3 LYS 46 -8.329 12.590 5.745
342 HE2 LYS 46 HE2 LYS 46 -6.797 12.115 7.636
343 HE3 LYS 46 HE3 LYS 46 -7.644 10.662 7.145
344 HZ1 LYS 46 HZ1 LYS 46 -5.753 9.731 6.505
345 HZ2 LYS 46 HZ2 LYS 46 -5.194 11.066 5.749
346 HZ3 LYS 46 HZ3 LYS 46 -4.990 10.894 7.361
347 HA PRO 47 HA PRO 47 -8.853 12.623 -1.833
348 HB2 PRO 47 HB2 PRO 47 -8.363 15.315 -0.613
349 HB3 PRO 47 HB3 PRO 47 -9.604 14.803 -1.818
350 HG2 PRO 47 HG2 PRO 47 -10.274 15.227 0.706
351 HG3 PRO 47 HG3 PRO 47 -10.919 13.799 -0.186
352 HD2 PRO 47 HD2 PRO 47 -8.669 13.961 1.796
353 HD3 PRO 47 HD3 PRO 47 -10.000 12.752 1.666
354 H GLY 48 H GLY 48 -7.098 12.701 -3.293
355 HA2 GLY 48 HA2 GLY 48 -5.088 13.677 -4.047
356 HA3 GLY 48 HA3 GLY 48 -4.610 13.988 -2.390
357 H VAL 49 H VAL 49 -5.402 11.336 -1.334
358 HA VAL 49 HA VAL 49 -3.024 9.931 -2.139
359 HB VAL 49 HB VAL 49 -5.117 8.941 -0.224
360 HG11 VAL 49 HG11 VAL 49 -2.092 8.696 -0.352
361 HG12 VAL 49 HG12 VAL 49 -3.116 8.048 0.952
362 HG13 VAL 49 HG13 VAL 49 -3.285 7.424 -0.706
363 HG21 VAL 49 HG21 VAL 49 -3.578 11.425 -0.014
364 HG22 VAL 49 HG22 VAL 49 -4.952 10.841 0.955
365 HG23 VAL 49 HG23 VAL 49 -3.297 10.316 1.350
366 H ASN 50 H ASN 50 -2.941 7.846 -3.101
367 HA ASN 50 HA ASN 50 -5.313 7.309 -4.667
368 HB2 ASN 50 HB2 ASN 50 -2.381 6.518 -4.885
369 HB3 ASN 50 HB3 ASN 50 -3.593 5.634 -5.790
370 HD21 ASN 50 HD21 ASN 50 -1.748 8.500 -5.503
371 HD22 ASN 50 HD22 ASN 50 -2.318 9.341 -6.905
372 H LEU 51 H LEU 51 -6.307 5.178 -4.636
373 HA LEU 51 HA LEU 51 -5.170 3.218 -2.817
374 HB2 LEU 51 HB2 LEU 51 -6.521 4.449 -1.311
375 HB3 LEU 51 HB3 LEU 51 -7.853 4.536 -2.447
376 HG LEU 51 HG LEU 51 -8.297 2.162 -2.199
377 HD11 LEU 51 HD11 LEU 51 -6.585 0.812 -1.747
378 HD12 LEU 51 HD12 LEU 51 -5.617 2.134 -1.053
379 HD13 LEU 51 HD13 LEU 51 -6.801 1.273 -0.042
380 HD21 LEU 51 HD21 LEU 51 -8.521 4.102 -0.108
381 HD22 LEU 51 HD22 LEU 51 -9.603 2.746 -0.507
382 HD23 LEU 51 HD23 LEU 51 -8.246 2.500 0.618
383 H ASN 52 H ASN 52 -5.614 1.102 -3.436
384 HA ASN 52 HA ASN 52 -7.520 0.817 -5.606
385 HB2 ASN 52 HB2 ASN 52 -5.180 0.972 -6.561
386 HB3 ASN 52 HB3 ASN 52 -4.706 -0.398 -5.576
387 HD21 ASN 52 HD21 ASN 52 -5.419 -2.449 -6.047
388 HD22 ASN 52 HD22 ASN 52 -6.166 -2.885 -7.548
389 H CYS 53 H CYS 53 -8.930 -0.842 -5.023
390 HA CYS 53 HA CYS 53 -7.910 -2.807 -3.106
391 HB2 CYS 53 HB2 CYS 53 -10.765 -1.929 -3.587
392 HB3 CYS 53 HB3 CYS 53 -10.249 -3.149 -2.440
393 H CYS 54 H CYS 54 -8.337 -5.055 -3.549
394 HA CYS 54 HA CYS 54 -9.765 -5.703 -5.959
395 HB2 CYS 54 HB2 CYS 54 -7.718 -7.144 -6.681
396 HB3 CYS 54 HB3 CYS 54 -7.845 -5.463 -7.160
397 H ARG 55 H ARG 55 -9.894 -8.197 -6.137
398 HA ARG 55 HA ARG 55 -9.788 -9.261 -3.431
399 HB2 ARG 55 HB2 ARG 55 -11.597 -10.010 -5.782
400 HB3 ARG 55 HB3 ARG 55 -11.589 -10.862 -4.251
401 HG2 ARG 55 HG2 ARG 55 -12.602 -9.105 -3.097
402 HG3 ARG 55 HG3 ARG 55 -11.915 -7.874 -4.138
403 HD2 ARG 55 HD2 ARG 55 -14.156 -7.840 -4.828
404 HD3 ARG 55 HD3 ARG 55 -13.466 -8.943 -6.002
405 HE ARG 55 HE ARG 55 -14.362 -10.374 -3.644
406 HH11 ARG 55 HH22 ARG 55 -15.511 -8.859 -6.605
407 HH12 ARG 55 HH21 ARG 55 -16.930 -9.847 -6.711
408 HH21 ARG 55 HH12 ARG 55 -16.234 -11.677 -3.783
409 HH22 ARG 55 HH11 ARG 55 -17.344 -11.461 -5.095
410 H THR 56 H THR 56 -7.397 -9.326 -4.841
411 HA THR 56 HA THR 56 -7.187 -12.178 -5.508
412 HB THR 56 HB THR 56 -5.420 -11.215 -7.258
413 HG1 THR 56 HG1 THR 56 -7.038 -9.119 -7.819
414 HG21 THR 56 HG21 THR 56 -8.445 -10.935 -7.665
415 HG22 THR 56 HG22 THR 56 -7.238 -10.901 -8.973
416 HG23 THR 56 HG23 THR 56 -7.474 -12.385 -8.019
417 H ASP 57 H ASP 57 -5.288 -13.207 -4.868
418 HA ASP 57 HA ASP 57 -4.145 -12.186 -2.585
419 HB2 ASP 57 HB2 ASP 57 -3.034 -14.268 -4.525
420 HB3 ASP 57 HB3 ASP 57 -2.469 -14.037 -2.883
421 H ARG 58 H ARG 58 -2.127 -11.092 -2.212
422 HA ARG 58 HA ARG 58 -0.653 -9.557 -2.700
423 HB2 ARG 58 HB2 ARG 58 0.370 -11.419 -4.881
424 HB3 ARG 58 HB3 ARG 58 1.309 -10.408 -3.801
425 HG2 ARG 58 HG2 ARG 58 0.236 -11.872 -1.882
426 HG3 ARG 58 HG3 ARG 58 -0.138 -13.000 -3.170
427 HD2 ARG 58 HD2 ARG 58 2.167 -13.360 -3.696
428 HD3 ARG 58 HD3 ARG 58 2.680 -11.899 -2.874
429 HE ARG 58 HE ARG 58 1.458 -13.498 -0.899
430 HH11 ARG 58 HH22 ARG 58 4.215 -13.747 -3.071
431 HH12 ARG 58 HH21 ARG 58 5.119 -14.777 -2.012
432 HH21 ARG 58 HH12 ARG 58 2.649 -14.857 0.499
433 HH22 ARG 58 HH11 ARG 58 4.222 -15.413 0.033
434 H CYS 59 H CYS 59 -3.093 -9.070 -4.121
435 HA CYS 59 HA CYS 59 -2.353 -8.443 -6.835
436 HB2 CYS 59 HB2 CYS 59 -4.631 -7.862 -7.171
437 HB3 CYS 59 HB3 CYS 59 -4.580 -9.365 -6.272
438 H ASN 60 H ASN 60 -2.469 -7.005 -3.634
439 HA ASN 60 HA ASN 60 -2.457 -4.338 -4.733
440 HB2 ASN 60 HB2 ASN 60 -2.592 -3.602 -2.383
441 HB3 ASN 60 HB3 ASN 60 -3.781 -4.860 -2.653
442 HD21 ASN 60 HD21 ASN 60 -2.132 -3.851 -0.300
443 HD22 ASN 60 HD22 ASN 60 -1.477 -5.274 0.438
444 H ASN 61 H ASN 61 -0.230 -5.773 -5.604
445 HA ASN 61 HA ASN 61 1.892 -5.255 -3.721
446 HB2 ASN 61 HB2 ASN 61 3.249 -6.661 -5.106
447 HB3 ASN 61 HB3 ASN 61 1.665 -7.408 -5.170
448 HD21 ASN 61 HD21 ASN 61 4.161 -5.813 -6.886
449 HD22 ASN 61 HD22 ASN 61 3.474 -5.849 -8.476
Start of MODEL 2
1 H1 LEU 1 H1 LEU 1 -5.388 -15.629 2.569
2 H2 LEU 1 H2 LEU 1 -6.799 -15.915 1.751
3 H3 LEU 1 H3 LEU 1 -6.742 -14.743 2.919
4 HA LEU 1 HA LEU 1 -5.520 -14.767 0.290
5 HB2 LEU 1 HB2 LEU 1 -7.763 -14.006 0.268
6 HB3 LEU 1 HB3 LEU 1 -7.523 -13.003 1.685
7 HG LEU 1 HG LEU 1 -5.787 -11.739 0.183
8 HD11 LEU 1 HD11 LEU 1 -5.698 -13.203 -1.695
9 HD12 LEU 1 HD12 LEU 1 -7.468 -13.183 -1.877
10 HD13 LEU 1 HD13 LEU 1 -6.522 -11.715 -2.218
11 HD21 LEU 1 HD21 LEU 1 -7.326 -10.095 -0.012
12 HD22 LEU 1 HD22 LEU 1 -8.548 -11.165 -0.739
13 HD23 LEU 1 HD23 LEU 1 -8.282 -11.185 1.021
14 H GLU 2 H GLU 2 -3.706 -13.538 -0.129
15 HA GLU 2 HA GLU 2 -2.553 -12.300 2.244
16 HB2 GLU 2 HB2 GLU 2 -1.110 -13.283 -0.256
17 HB3 GLU 2 HB3 GLU 2 -0.356 -12.693 1.212
18 HG2 GLU 2 HG2 GLU 2 -1.574 -14.580 2.466
19 HG3 GLU 2 HG3 GLU 2 -2.034 -15.222 0.902
20 H CYS 3 H CYS 3 -1.617 -10.185 2.089
21 HA CYS 3 HA CYS 3 -2.057 -8.827 -0.454
22 HB2 CYS 3 HB2 CYS 3 -2.861 -7.567 2.166
23 HB3 CYS 3 HB3 CYS 3 -3.134 -6.961 0.545
24 H HIS 4 H HIS 4 -0.393 -7.341 -0.920
25 HA HIS 4 HA HIS 4 1.987 -7.624 0.511
26 HB2 HIS 4 HB2 HIS 4 1.020 -5.878 -1.726
27 HB3 HIS 4 HB3 HIS 4 2.542 -5.487 -0.951
28 HD1 HIS 4 HD1 HIS 4 4.541 -7.138 -1.291
29 HD2 HIS 4 HD2 HIS 4 1.021 -8.243 -3.287
30 HE1 HIS 4 HE1 HIS 4 5.199 -8.973 -2.937
31 HE2 HIS 4 HE2 HIS 4 2.986 -9.650 -4.095
32 H ASN 5 H ASN 5 3.040 -6.312 2.027
33 HA ASN 5 HA ASN 5 1.363 -4.165 3.069
34 HB2 ASN 5 HB2 ASN 5 2.020 -4.743 5.299
35 HB3 ASN 5 HB3 ASN 5 1.713 -6.290 4.536
36 HD21 ASN 5 HD21 ASN 5 3.155 -7.773 4.918
37 HD22 ASN 5 HD22 ASN 5 4.849 -7.553 5.202
38 H GLN 6 H GLN 6 3.900 -4.645 1.131
39 HA GLN 6 HA GLN 6 6.031 -3.384 2.422
40 HB2 GLN 6 HB2 GLN 6 6.759 -3.012 -0.081
41 HB3 GLN 6 HB3 GLN 6 6.683 -4.640 0.564
42 HG2 GLN 6 HG2 GLN 6 4.768 -5.193 -0.648
43 HG3 GLN 6 HG3 GLN 6 4.159 -3.549 -0.652
44 HE21 GLN 6 HE21 GLN 6 5.216 -5.875 -2.587
45 HE22 GLN 6 HE22 GLN 6 5.958 -4.985 -3.875
46 H GLN 7 H GLN 7 6.729 -1.213 2.443
47 HA GLN 7 HA GLN 7 4.679 0.650 1.547
48 HB2 GLN 7 HB2 GLN 7 6.114 2.205 3.172
49 HB3 GLN 7 HB3 GLN 7 4.896 1.115 3.804
50 HG2 GLN 7 HG2 GLN 7 7.770 0.186 3.465
51 HG3 GLN 7 HG3 GLN 7 7.291 1.098 4.883
52 HE21 GLN 7 HE21 GLN 7 8.255 -1.387 5.198
53 HE22 GLN 7 HE22 GLN 7 7.023 -2.504 5.683
54 H SER 8 H SER 8 5.525 2.842 0.768
55 HA SER 8 HA SER 8 6.506 3.753 -0.993
56 HB2 SER 8 HB2 SER 8 9.043 3.190 0.595
57 HB3 SER 8 HB3 SER 8 8.741 4.551 -0.468
58 HG SER 8 HG SER 8 7.582 5.559 1.063
59 H SER 9 H SER 9 9.661 2.943 -1.211
60 HA SER 9 HA SER 9 9.090 1.004 -3.277
61 HB2 SER 9 HB2 SER 9 11.469 2.782 -2.645
62 HB3 SER 9 HB3 SER 9 11.611 1.467 -3.794
63 HG SER 9 HG SER 9 9.405 3.248 -4.103
64 H GLN 10 H GLN 10 9.742 0.945 -0.023
65 HA GLN 10 HA GLN 10 11.889 -0.583 0.424
66 HB2 GLN 10 HB2 GLN 10 9.219 -1.168 1.755
67 HB3 GLN 10 HB3 GLN 10 10.819 -1.310 2.456
68 HG2 GLN 10 HG2 GLN 10 10.918 1.315 1.789
69 HG3 GLN 10 HG3 GLN 10 9.179 1.160 1.943
70 HE21 GLN 10 HE21 GLN 10 11.972 -0.271 3.635
71 HE22 GLN 10 HE22 GLN 10 11.506 0.175 5.243
72 HA PRO 11 HA PRO 11 11.647 -4.665 -1.090
73 HB2 PRO 11 HB2 PRO 11 11.424 -5.653 1.729
74 HB3 PRO 11 HB3 PRO 11 12.617 -6.083 0.447
75 HG2 PRO 11 HG2 PRO 11 13.304 -4.486 2.441
76 HG3 PRO 11 HG3 PRO 11 13.808 -4.112 0.751
77 HD2 PRO 11 HD2 PRO 11 11.568 -2.954 2.382
78 HD3 PRO 11 HD3 PRO 11 12.770 -2.121 1.327
79 HA PRO 12 HA PRO 12 7.255 -5.437 -1.308
80 HB2 PRO 12 HB2 PRO 12 8.308 -7.940 -2.574
81 HB3 PRO 12 HB3 PRO 12 7.090 -6.760 -3.189
82 HG2 PRO 12 HG2 PRO 12 9.547 -6.787 -4.166
83 HG3 PRO 12 HG3 PRO 12 8.728 -5.226 -3.788
84 HD2 PRO 12 HD2 PRO 12 10.789 -6.738 -2.212
85 HD3 PRO 12 HD3 PRO 12 10.685 -4.974 -2.573
86 H THR 13 H THR 13 5.985 -6.341 0.343
87 HA THR 13 HA THR 13 6.831 -8.936 1.425
88 HB THR 13 HB THR 13 6.046 -7.842 3.699
89 HG1 THR 13 HG1 THR 13 5.279 -5.857 2.808
90 HG21 THR 13 HG21 THR 13 8.301 -6.710 4.015
91 HG22 THR 13 HG22 THR 13 8.430 -8.369 3.382
92 HG23 THR 13 HG23 THR 13 8.623 -6.981 2.285
93 H THR 14 H THR 14 4.953 -9.765 2.960
94 HA THR 14 HA THR 14 2.353 -8.999 1.904
95 HB THR 14 HB THR 14 2.001 -11.586 1.509
96 HG1 THR 14 HG1 THR 14 3.944 -12.694 1.506
97 HG21 THR 14 HG21 THR 14 2.036 -10.091 -0.439
98 HG22 THR 14 HG22 THR 14 3.798 -9.887 -0.297
99 HG23 THR 14 HG23 THR 14 3.120 -11.461 -0.778
100 H LYS 15 H LYS 15 0.558 -9.867 3.165
101 HA LYS 15 HA LYS 15 1.304 -11.081 5.686
102 HB2 LYS 15 HB2 LYS 15 0.473 -8.236 5.398
103 HB3 LYS 15 HB3 LYS 15 -0.269 -9.143 6.700
104 HG2 LYS 15 HG2 LYS 15 1.890 -9.719 7.653
105 HG3 LYS 15 HG3 LYS 15 2.744 -9.137 6.238
106 HD2 LYS 15 HD2 LYS 15 2.736 -7.561 8.264
107 HD3 LYS 15 HD3 LYS 15 2.259 -6.844 6.738
108 HE2 LYS 15 HE2 LYS 15 -0.164 -7.227 7.358
109 HE3 LYS 15 HE3 LYS 15 0.358 -7.842 8.914
110 HZ1 LYS 15 HZ1 LYS 15 1.650 -5.536 8.814
111 HZ2 LYS 15 HZ2 LYS 15 0.319 -5.141 7.953
112 HZ3 LYS 15 HZ3 LYS 15 0.167 -5.708 9.477
113 H THR 16 H THR 16 -0.494 -12.105 6.743
114 HA THR 16 HA THR 16 -2.528 -12.890 4.870
115 HB THR 16 HB THR 16 -2.367 -13.612 7.824
116 HG1 THR 16 HG1 THR 16 -0.904 -14.766 5.565
117 HG21 THR 16 HG21 THR 16 -4.065 -14.941 6.922
118 HG22 THR 16 HG22 THR 16 -3.407 -14.833 5.271
119 HG23 THR 16 HG23 THR 16 -2.664 -15.935 6.456
120 H CYS 17 H CYS 17 -4.584 -12.204 4.677
121 HA CYS 17 HA CYS 17 -5.304 -9.924 6.276
122 HB2 CYS 17 HB2 CYS 17 -7.049 -11.200 4.188
123 HB3 CYS 17 HB3 CYS 17 -7.018 -9.534 4.730
124 H SER 18 H SER 18 -6.506 -10.100 8.139
125 HA SER 18 HA SER 18 -7.820 -12.655 8.571
126 HB2 SER 18 HB2 SER 18 -6.055 -11.534 10.197
127 HB3 SER 18 HB3 SER 18 -7.415 -10.559 10.717
128 HG SER 18 HG SER 18 -8.426 -12.315 11.578
129 H GLY 19 H GLY 19 -10.012 -12.709 8.259
130 HA2 GLY 19 HA2 GLY 19 -12.185 -12.079 8.484
131 HA3 GLY 19 HA3 GLY 19 -11.685 -10.594 9.268
132 H GLU 20 H GLU 20 -9.708 -10.476 6.696
133 HA GLU 20 HA GLU 20 -11.698 -9.037 5.140
134 HB2 GLU 20 HB2 GLU 20 -8.694 -8.796 4.793
135 HB3 GLU 20 HB3 GLU 20 -9.934 -7.642 4.346
136 HG2 GLU 20 HG2 GLU 20 -10.474 -7.639 6.953
137 HG3 GLU 20 HG3 GLU 20 -8.850 -8.283 7.100
138 H THR 21 H THR 21 -11.381 -9.081 2.690
139 HA THR 21 HA THR 21 -10.107 -11.536 1.750
140 HB THR 21 HB THR 21 -12.314 -11.939 0.427
141 HG1 THR 21 HG1 THR 21 -14.126 -10.892 1.666
142 HG21 THR 21 HG21 THR 21 -11.841 -13.425 2.326
143 HG22 THR 21 HG22 THR 21 -12.284 -12.147 3.483
144 HG23 THR 21 HG23 THR 21 -13.533 -12.889 2.454
145 H ASN 22 H ASN 22 -9.891 -8.408 1.663
146 HA ASN 22 HA ASN 22 -9.518 -8.408 -1.219
147 HB2 ASN 22 HB2 ASN 22 -10.668 -6.113 0.455
148 HB3 ASN 22 HB3 ASN 22 -10.243 -5.982 -1.240
149 HD21 ASN 22 HD21 ASN 22 -12.362 -7.495 1.105
150 HD22 ASN 22 HD22 ASN 22 -13.635 -7.955 0.024
151 H CYS 23 H CYS 23 -7.782 -6.827 -1.891
152 HA CYS 23 HA CYS 23 -6.020 -6.191 0.364
153 HB2 CYS 23 HB2 CYS 23 -5.189 -6.851 -2.468
154 HB3 CYS 23 HB3 CYS 23 -4.125 -6.504 -1.119
155 H TYR 24 H TYR 24 -5.198 -4.060 0.435
156 HA TYR 24 HA TYR 24 -6.185 -2.287 -1.698
157 HB2 TYR 24 HB2 TYR 24 -6.616 -0.709 0.086
158 HB3 TYR 24 HB3 TYR 24 -7.108 -2.241 0.781
159 HD1 TYR 24 HD2 TYR 24 -4.525 0.389 0.807
160 HD2 TYR 24 HD1 TYR 24 -5.847 -3.268 2.589
161 HE1 TYR 24 HE2 TYR 24 -2.918 0.744 2.744
162 HE2 TYR 24 HE1 TYR 24 -4.236 -2.901 4.521
163 HH TYR 24 HH TYR 24 -1.819 -0.438 4.408
164 H LYS 25 H LYS 25 -4.832 -0.443 -2.246
165 HA LYS 25 HA LYS 25 -2.097 -0.600 -1.250
166 HB2 LYS 25 HB2 LYS 25 -1.932 -1.975 -3.180
167 HB3 LYS 25 HB3 LYS 25 -2.926 -0.898 -4.141
168 HG2 LYS 25 HG2 LYS 25 -1.085 0.904 -3.677
169 HG3 LYS 25 HG3 LYS 25 -0.087 -0.438 -3.153
170 HD2 LYS 25 HD2 LYS 25 0.429 -0.146 -5.472
171 HD3 LYS 25 HD3 LYS 25 -0.602 -1.561 -5.408
172 HE2 LYS 25 HE2 LYS 25 -2.561 0.227 -5.749
173 HE3 LYS 25 HE3 LYS 25 -1.267 1.225 -6.381
174 HZ1 LYS 25 HZ1 LYS 25 -2.314 -0.108 -8.084
175 HZ2 LYS 25 HZ2 LYS 25 -0.739 -0.512 -7.932
176 HZ3 LYS 25 HZ3 LYS 25 -1.896 -1.488 -7.319
177 H LYS 26 H LYS 26 -1.582 1.381 -0.511
178 HA LYS 26 HA LYS 26 -2.934 3.652 -1.789
179 HB2 LYS 26 HB2 LYS 26 -1.682 3.781 0.939
180 HB3 LYS 26 HB3 LYS 26 -2.970 4.755 0.260
181 HG2 LYS 26 HG2 LYS 26 -4.455 2.707 0.238
182 HG3 LYS 26 HG3 LYS 26 -3.171 1.801 1.015
183 HD2 LYS 26 HD2 LYS 26 -4.508 4.296 2.169
184 HD3 LYS 26 HD3 LYS 26 -4.854 2.649 2.660
185 HE2 LYS 26 HE2 LYS 26 -2.170 2.595 3.016
186 HE3 LYS 26 HE3 LYS 26 -2.408 4.321 3.203
187 HZ1 LYS 26 HZ1 LYS 26 -2.988 3.816 5.259
188 HZ2 LYS 26 HZ2 LYS 26 -4.394 3.230 4.669
189 HZ3 LYS 26 HZ3 LYS 26 -3.143 2.220 4.953
190 H TRP 27 H TRP 27 -1.714 5.442 -2.476
191 HA TRP 27 HA TRP 27 1.103 5.521 -1.978
192 HB2 TRP 27 HB2 TRP 27 1.906 5.179 -4.174
193 HB3 TRP 27 HB3 TRP 27 0.947 3.777 -3.739
194 HD1 TRP 27 HD1 TRP 27 1.051 6.624 -6.271
195 HE1 TRP 27 HE1 TRP 27 -0.799 6.352 -8.133
196 HE3 TRP 27 HE3 TRP 27 -1.440 2.826 -3.984
197 HZ2 TRP 27 HZ2 TRP 27 -3.046 4.618 -8.434
198 HZ3 TRP 27 HZ3 TRP 27 -3.451 1.900 -5.129
199 HH2 TRP 27 HH2 TRP 27 -4.262 2.735 -7.278
200 H TRP 28 H TRP 28 1.907 7.632 -2.442
201 HA TRP 28 HA TRP 28 0.352 9.457 -3.990
202 HB2 TRP 28 HB2 TRP 28 -0.264 10.990 -2.254
203 HB3 TRP 28 HB3 TRP 28 -1.000 9.429 -1.952
204 HD1 TRP 28 HD1 TRP 28 1.400 11.917 -0.372
205 HE1 TRP 28 HE1 TRP 28 2.141 11.177 2.050
206 HE3 TRP 28 HE3 TRP 28 -0.555 7.231 -0.638
207 HZ2 TRP 28 HZ2 TRP 28 1.833 8.768 3.549
208 HZ3 TRP 28 HZ3 TRP 28 -0.292 5.749 1.349
209 HH2 TRP 28 HH2 TRP 28 0.854 6.450 3.391
210 H SER 29 H SER 29 1.462 11.753 -3.720
211 HA SER 29 HA SER 29 4.307 11.188 -3.563
212 HB2 SER 29 HB2 SER 29 3.493 12.073 -5.717
213 HB3 SER 29 HB3 SER 29 2.778 13.456 -4.913
214 HG SER 29 HG SER 29 4.689 14.433 -4.835
215 H ASP 30 H ASP 30 5.739 12.804 -2.514
216 HA ASP 30 HA ASP 30 4.364 14.673 -0.800
217 HB2 ASP 30 HB2 ASP 30 4.683 12.494 0.474
218 HB3 ASP 30 HB3 ASP 30 6.413 12.667 0.253
219 H HIS 31 H HIS 31 6.138 16.110 0.356
220 HA HIS 31 HA HIS 31 7.921 17.006 -1.621
221 HB2 HIS 31 HB2 HIS 31 8.765 18.453 0.321
222 HB3 HIS 31 HB3 HIS 31 7.109 18.661 -0.211
223 HD1 HIS 31 HD1 HIS 31 9.156 17.752 2.742
224 HD2 HIS 31 HD2 HIS 31 5.130 17.512 1.586
225 HE1 HIS 31 HE1 HIS 31 7.825 17.312 4.874
226 HE2 HIS 31 HE2 HIS 31 5.354 17.229 4.108
227 H ARG 32 H ARG 32 8.055 14.357 0.519
228 HA ARG 32 HA ARG 32 10.948 14.489 0.625
229 HB2 ARG 32 HB2 ARG 32 8.956 12.657 2.054
230 HB3 ARG 32 HB3 ARG 32 10.694 12.538 2.238
231 HG2 ARG 32 HG2 ARG 32 10.655 15.027 2.941
232 HG3 ARG 32 HG3 ARG 32 8.911 14.882 3.024
233 HD2 ARG 32 HD2 ARG 32 9.487 12.730 4.522
234 HD3 ARG 32 HD3 ARG 32 11.008 13.568 4.759
235 HE ARG 32 HE ARG 32 8.923 15.461 5.171
236 HH11 ARG 32 HH22 ARG 32 10.183 12.536 6.667
237 HH12 ARG 32 HH21 ARG 32 9.666 12.974 8.260
238 HH21 ARG 32 HH12 ARG 32 8.241 16.041 7.274
239 HH22 ARG 32 HH11 ARG 32 8.553 14.982 8.608
240 H GLY 33 H GLY 33 8.184 12.803 -0.802
241 HA2 GLY 33 HA2 GLY 33 9.327 11.730 -2.961
242 HA3 GLY 33 HA3 GLY 33 9.774 10.557 -1.738
243 H THR 34 H THR 34 8.330 9.284 -3.425
244 HA THR 34 HA THR 34 5.492 9.682 -3.026
245 HB THR 34 HB THR 34 7.259 7.817 -4.674
246 HG1 THR 34 HG1 THR 34 6.850 9.582 -5.945
247 HG21 THR 34 HG21 THR 34 5.504 6.384 -4.956
248 HG22 THR 34 HG22 THR 34 4.529 7.326 -3.803
249 HG23 THR 34 HG23 THR 34 4.519 7.751 -5.531
250 H ILE 35 H ILE 35 4.483 9.020 -1.244
251 HA ILE 35 HA ILE 35 5.666 6.849 0.271
252 HB ILE 35 HB ILE 35 3.336 8.682 0.847
253 HG12 ILE 35 HG12 ILE 35 6.256 8.761 1.615
254 HG13 ILE 35 HG13 ILE 35 5.305 9.997 0.817
255 HG21 ILE 35 HG21 ILE 35 3.023 6.599 2.017
256 HG22 ILE 35 HG22 ILE 35 4.708 6.618 2.589
257 HG23 ILE 35 HG23 ILE 35 3.556 7.844 3.172
258 HD11 ILE 35 HD11 ILE 35 3.868 10.141 2.919
259 HD12 ILE 35 HD12 ILE 35 5.044 9.062 3.707
260 HD13 ILE 35 HD13 ILE 35 5.556 10.666 3.129
261 H ILE 36 H ILE 36 4.895 4.782 0.350
262 HA ILE 36 HA ILE 36 2.316 4.316 -0.972
263 HB ILE 36 HB ILE 36 4.717 2.512 -1.220
264 HG12 ILE 36 HG12 ILE 36 3.747 4.625 -3.168
265 HG13 ILE 36 HG13 ILE 36 5.245 4.668 -2.258
266 HG21 ILE 36 HG21 ILE 36 2.028 2.027 -1.651
267 HG22 ILE 36 HG22 ILE 36 2.646 2.407 -3.276
268 HG23 ILE 36 HG23 ILE 36 3.391 1.101 -2.324
269 HD11 ILE 36 HD11 ILE 36 5.738 3.850 -4.498
270 HD12 ILE 36 HD12 ILE 36 5.922 2.491 -3.364
271 HD13 ILE 36 HD13 ILE 36 4.462 2.615 -4.375
272 H GLU 37 H GLU 37 0.873 3.349 0.348
273 HA GLU 37 HA GLU 37 1.988 1.694 2.470
274 HB2 GLU 37 HB2 GLU 37 1.283 3.906 3.386
275 HB3 GLU 37 HB3 GLU 37 -0.332 3.654 2.754
276 HG2 GLU 37 HG2 GLU 37 -0.611 1.642 4.177
277 HG3 GLU 37 HG3 GLU 37 1.035 1.797 4.758
278 H ARG 38 H ARG 38 1.308 -0.378 2.162
279 HA ARG 38 HA ARG 38 -1.398 -0.681 1.131
280 HB2 ARG 38 HB2 ARG 38 0.821 -2.699 0.602
281 HB3 ARG 38 HB3 ARG 38 -0.707 -2.532 -0.240
282 HG2 ARG 38 HG2 ARG 38 0.019 -0.356 -1.188
283 HG3 ARG 38 HG3 ARG 38 1.521 -0.442 -0.290
284 HD2 ARG 38 HD2 ARG 38 2.053 -2.614 -1.511
285 HD3 ARG 38 HD3 ARG 38 0.618 -2.367 -2.485
286 HE ARG 38 HE ARG 38 1.878 0.012 -2.856
287 HH11 ARG 38 HH22 ARG 38 3.124 -3.278 -2.957
288 HH12 ARG 38 HH21 ARG 38 4.369 -2.907 -4.103
289 HH21 ARG 38 HH12 ARG 38 3.521 0.501 -4.367
290 HH22 ARG 38 HH11 ARG 38 4.596 -0.743 -4.910
291 H GLY 39 H GLY 39 -2.392 -2.878 1.744
292 HA2 GLY 39 HA2 GLY 39 -1.236 -4.485 3.759
293 HA3 GLY 39 HA3 GLY 39 -2.285 -3.291 4.498
294 H CYS 40 H CYS 40 -3.374 -5.505 5.074
295 HA CYS 40 HA CYS 40 -4.875 -6.647 2.908
296 HB2 CYS 40 HB2 CYS 40 -4.556 -7.246 5.830
297 HB3 CYS 40 HB3 CYS 40 -5.911 -7.922 4.948
298 H GLY 41 H GLY 41 -7.252 -6.625 2.837
299 HA2 GLY 41 HA2 GLY 41 -9.339 -5.866 3.532
300 HA3 GLY 41 HA3 GLY 41 -8.582 -4.669 4.563
301 H CYS 42 H CYS 42 -10.241 -3.219 3.475
302 HA CYS 42 HA CYS 42 -8.959 -1.988 1.186
303 HB2 CYS 42 HB2 CYS 42 -10.512 -3.431 0.088
304 HB3 CYS 42 HB3 CYS 42 -11.809 -2.982 1.178
305 HA PRO 43 HA PRO 43 -10.374 0.802 4.621
306 HB2 PRO 43 HB2 PRO 43 -8.024 2.200 4.676
307 HB3 PRO 43 HB3 PRO 43 -8.233 0.631 5.541
308 HG2 PRO 43 HG2 PRO 43 -7.017 1.179 2.852
309 HG3 PRO 43 HG3 PRO 43 -6.388 0.173 4.210
310 HD2 PRO 43 HD2 PRO 43 -7.662 -0.900 2.100
311 HD3 PRO 43 HD3 PRO 43 -7.855 -1.546 3.773
312 H LYS 44 H LYS 44 -10.033 3.394 4.606
313 HA LYS 44 HA LYS 44 -10.503 4.220 1.825
314 HB2 LYS 44 HB2 LYS 44 -12.150 5.736 2.561
315 HB3 LYS 44 HB3 LYS 44 -12.496 4.230 3.387
316 HG2 LYS 44 HG2 LYS 44 -12.613 5.672 5.200
317 HG3 LYS 44 HG3 LYS 44 -10.908 5.274 5.276
318 HD2 LYS 44 HD2 LYS 44 -10.235 7.342 4.360
319 HD3 LYS 44 HD3 LYS 44 -11.771 7.608 3.559
320 HE2 LYS 44 HE2 LYS 44 -11.981 9.093 5.347
321 HE3 LYS 44 HE3 LYS 44 -12.733 7.671 6.042
322 HZ1 LYS 44 HZ1 LYS 44 -11.199 7.755 7.597
323 HZ2 LYS 44 HZ2 LYS 44 -10.034 7.436 6.498
324 HZ3 LYS 44 HZ3 LYS 44 -10.410 8.983 6.865
325 H VAL 45 H VAL 45 -9.458 6.073 1.062
326 HA VAL 45 HA VAL 45 -7.426 7.128 2.906
327 HB VAL 45 HB VAL 45 -6.027 7.488 0.981
328 HG11 VAL 45 HG11 VAL 45 -5.350 5.294 0.647
329 HG12 VAL 45 HG12 VAL 45 -6.311 5.157 2.139
330 HG13 VAL 45 HG13 VAL 45 -7.017 4.675 0.578
331 HG21 VAL 45 HG21 VAL 45 -7.357 8.032 -0.833
332 HG22 VAL 45 HG22 VAL 45 -6.874 6.368 -1.240
333 HG23 VAL 45 HG23 VAL 45 -8.484 6.683 -0.551
334 H LYS 46 H LYS 46 -6.789 9.448 2.428
335 HA LYS 46 HA LYS 46 -9.228 10.962 2.100
336 HB2 LYS 46 HB2 LYS 46 -6.509 12.116 2.692
337 HB3 LYS 46 HB3 LYS 46 -8.089 12.732 3.134
338 HG2 LYS 46 HG2 LYS 46 -8.386 10.607 4.564
339 HG3 LYS 46 HG3 LYS 46 -6.691 10.271 4.271
340 HD2 LYS 46 HD2 LYS 46 -7.762 12.840 5.534
341 HD3 LYS 46 HD3 LYS 46 -7.085 11.495 6.431
342 HE2 LYS 46 HE2 LYS 46 -4.917 11.775 5.188
343 HE3 LYS 46 HE3 LYS 46 -5.597 13.141 4.328
344 HZ1 LYS 46 HZ1 LYS 46 -5.355 12.988 7.252
345 HZ2 LYS 46 HZ2 LYS 46 -4.316 13.782 6.274
346 HZ3 LYS 46 HZ3 LYS 46 -5.866 14.280 6.394
347 HA PRO 47 HA PRO 47 -8.788 12.666 -1.863
348 HB2 PRO 47 HB2 PRO 47 -8.258 15.339 -0.618
349 HB3 PRO 47 HB3 PRO 47 -9.515 14.854 -1.817
350 HG2 PRO 47 HG2 PRO 47 -10.159 15.257 0.717
351 HG3 PRO 47 HG3 PRO 47 -10.827 13.846 -0.186
352 HD2 PRO 47 HD2 PRO 47 -8.559 13.962 1.779
353 HD3 PRO 47 HD3 PRO 47 -9.904 12.768 1.647
354 H GLY 48 H GLY 48 -7.040 12.723 -3.330
355 HA2 GLY 48 HA2 GLY 48 -5.027 13.682 -4.096
356 HA3 GLY 48 HA3 GLY 48 -4.535 13.986 -2.442
357 H VAL 49 H VAL 49 -5.342 11.340 -1.385
358 HA VAL 49 HA VAL 49 -2.982 9.916 -2.208
359 HB VAL 49 HB VAL 49 -5.072 8.945 -0.278
360 HG11 VAL 49 HG11 VAL 49 -2.053 8.660 -0.440
361 HG12 VAL 49 HG12 VAL 49 -3.066 8.033 0.883
362 HG13 VAL 49 HG13 VAL 49 -3.269 7.403 -0.769
363 HG21 VAL 49 HG21 VAL 49 -3.508 11.412 -0.079
364 HG22 VAL 49 HG22 VAL 49 -4.873 10.837 0.908
365 HG23 VAL 49 HG23 VAL 49 -3.217 10.298 1.279
366 H ASN 50 H ASN 50 -2.936 7.801 -3.134
367 HA ASN 50 HA ASN 50 -5.326 7.292 -4.689
368 HB2 ASN 50 HB2 ASN 50 -2.400 6.485 -4.951
369 HB3 ASN 50 HB3 ASN 50 -3.632 5.619 -5.847
370 HD21 ASN 50 HD21 ASN 50 -1.761 8.469 -5.560
371 HD22 ASN 50 HD22 ASN 50 -2.341 9.326 -6.949
372 H LEU 51 H LEU 51 -6.312 5.152 -4.660
373 HA LEU 51 HA LEU 51 -5.158 3.192 -2.855
374 HB2 LEU 51 HB2 LEU 51 -6.487 4.410 -1.326
375 HB3 LEU 51 HB3 LEU 51 -7.829 4.519 -2.448
376 HG LEU 51 HG LEU 51 -8.312 2.161 -2.210
377 HD11 LEU 51 HD11 LEU 51 -6.680 0.723 -1.771
378 HD12 LEU 51 HD12 LEU 51 -5.594 2.031 -1.245
379 HD13 LEU 51 HD13 LEU 51 -6.709 1.277 -0.080
380 HD21 LEU 51 HD21 LEU 51 -7.994 2.720 0.652
381 HD22 LEU 51 HD22 LEU 51 -8.706 4.066 -0.270
382 HD23 LEU 51 HD23 LEU 51 -9.464 2.456 -0.317
383 H ASN 52 H ASN 52 -5.622 1.074 -3.463
384 HA ASN 52 HA ASN 52 -7.546 0.796 -5.617
385 HB2 ASN 52 HB2 ASN 52 -5.496 0.834 -6.862
386 HB3 ASN 52 HB3 ASN 52 -4.619 -0.039 -5.621
387 HD21 ASN 52 HD21 ASN 52 -7.816 -0.702 -7.003
388 HD22 ASN 52 HD22 ASN 52 -7.454 -2.256 -7.679
389 H CYS 53 H CYS 53 -8.955 -0.859 -5.018
390 HA CYS 53 HA CYS 53 -7.920 -2.826 -3.111
391 HB2 CYS 53 HB2 CYS 53 -10.783 -1.960 -3.571
392 HB3 CYS 53 HB3 CYS 53 -10.246 -3.162 -2.415
393 H CYS 54 H CYS 54 -8.388 -5.077 -3.537
394 HA CYS 54 HA CYS 54 -9.820 -5.721 -5.944
395 HB2 CYS 54 HB2 CYS 54 -7.784 -7.176 -6.669
396 HB3 CYS 54 HB3 CYS 54 -7.904 -5.496 -7.154
397 H ARG 55 H ARG 55 -9.962 -8.215 -6.117
398 HA ARG 55 HA ARG 55 -9.853 -9.274 -3.409
399 HB2 ARG 55 HB2 ARG 55 -11.678 -10.010 -5.752
400 HB3 ARG 55 HB3 ARG 55 -11.665 -10.868 -4.224
401 HG2 ARG 55 HG2 ARG 55 -12.664 -9.111 -3.058
402 HG3 ARG 55 HG3 ARG 55 -11.974 -7.880 -4.096
403 HD2 ARG 55 HD2 ARG 55 -13.549 -9.002 -5.949
404 HD3 ARG 55 HD3 ARG 55 -14.432 -9.584 -4.552
405 HE ARG 55 HE ARG 55 -15.159 -7.397 -4.117
406 HH11 ARG 55 HH22 ARG 55 -12.470 -7.303 -6.385
407 HH12 ARG 55 HH21 ARG 55 -12.642 -5.611 -6.716
408 HH21 ARG 55 HH12 ARG 55 -15.386 -5.165 -4.554
409 HH22 ARG 55 HH11 ARG 55 -14.312 -4.387 -5.667
410 H THR 56 H THR 56 -7.466 -9.359 -4.819
411 HA THR 56 HA THR 56 -7.275 -12.213 -5.479
412 HB THR 56 HB THR 56 -5.517 -11.268 -7.248
413 HG1 THR 56 HG1 THR 56 -7.380 -9.175 -7.558
414 HG21 THR 56 HG21 THR 56 -7.348 -10.956 -8.952
415 HG22 THR 56 HG22 THR 56 -7.580 -12.434 -7.988
416 HG23 THR 56 HG23 THR 56 -8.544 -10.980 -7.633
417 H ASP 57 H ASP 57 -5.372 -13.244 -4.852
418 HA ASP 57 HA ASP 57 -4.210 -12.221 -2.580
419 HB2 ASP 57 HB2 ASP 57 -3.113 -14.306 -4.526
420 HB3 ASP 57 HB3 ASP 57 -2.537 -14.073 -2.887
421 H ARG 58 H ARG 58 -2.180 -11.139 -2.222
422 HA ARG 58 HA ARG 58 -0.713 -9.600 -2.724
423 HB2 ARG 58 HB2 ARG 58 0.296 -11.468 -4.906
424 HB3 ARG 58 HB3 ARG 58 1.242 -10.455 -3.833
425 HG2 ARG 58 HG2 ARG 58 0.178 -11.914 -1.906
426 HG3 ARG 58 HG3 ARG 58 -0.204 -13.045 -3.189
427 HD2 ARG 58 HD2 ARG 58 2.098 -13.407 -3.728
428 HD3 ARG 58 HD3 ARG 58 2.617 -11.947 -2.910
429 HE ARG 58 HE ARG 58 1.428 -13.497 -0.904
430 HH11 ARG 58 HH22 ARG 58 4.081 -13.917 -3.178
431 HH12 ARG 58 HH21 ARG 58 4.968 -14.986 -2.142
432 HH21 ARG 58 HH12 ARG 58 2.598 -14.907 0.462
433 HH22 ARG 58 HH11 ARG 58 4.119 -15.553 -0.058
434 H CYS 59 H CYS 59 -3.165 -9.125 -4.138
435 HA CYS 59 HA CYS 59 -2.446 -8.509 -6.857
436 HB2 CYS 59 HB2 CYS 59 -4.724 -7.911 -7.171
437 HB3 CYS 59 HB3 CYS 59 -4.673 -9.412 -6.268
438 H ASN 60 H ASN 60 -2.470 -7.061 -3.669
439 HA ASN 60 HA ASN 60 -2.488 -4.395 -4.770
440 HB2 ASN 60 HB2 ASN 60 -2.489 -3.670 -2.390
441 HB3 ASN 60 HB3 ASN 60 -3.752 -4.854 -2.664
442 HD21 ASN 60 HD21 ASN 60 -2.146 -4.031 -0.276
443 HD22 ASN 60 HD22 ASN 60 -1.507 -5.493 0.398
444 H ASN 61 H ASN 61 -0.295 -5.824 -5.720
445 HA ASN 61 HA ASN 61 1.901 -5.650 -3.954
446 HB2 ASN 61 HB2 ASN 61 1.764 -7.303 -5.842
447 HB3 ASN 61 HB3 ASN 61 1.803 -5.987 -6.999
448 HD21 ASN 61 HD21 ASN 61 3.580 -6.640 -3.981
449 HD22 ASN 61 HD22 ASN 61 5.178 -6.540 -4.641
Start of MODEL 3
1 H1 LEU 1 H1 LEU 1 -6.406 -16.136 1.630
2 H2 LEU 1 H2 LEU 1 -7.031 -14.951 2.605
3 H3 LEU 1 H3 LEU 1 -5.444 -15.400 2.759
4 HA LEU 1 HA LEU 1 -5.497 -14.782 0.229
5 HB2 LEU 1 HB2 LEU 1 -7.749 -14.045 0.209
6 HB3 LEU 1 HB3 LEU 1 -7.526 -13.065 1.645
7 HG LEU 1 HG LEU 1 -5.798 -11.754 0.179
8 HD11 LEU 1 HD11 LEU 1 -5.673 -13.188 -1.722
9 HD12 LEU 1 HD12 LEU 1 -7.442 -13.183 -1.923
10 HD13 LEU 1 HD13 LEU 1 -6.508 -11.699 -2.228
11 HD21 LEU 1 HD21 LEU 1 -7.810 -10.443 -0.823
12 HD22 LEU 1 HD22 LEU 1 -8.797 -11.587 0.117
13 HD23 LEU 1 HD23 LEU 1 -7.614 -10.544 0.943
14 H GLU 2 H GLU 2 -3.699 -13.514 -0.155
15 HA GLU 2 HA GLU 2 -2.591 -12.289 2.248
16 HB2 GLU 2 HB2 GLU 2 -1.026 -13.184 -0.204
17 HB3 GLU 2 HB3 GLU 2 -0.382 -12.741 1.364
18 HG2 GLU 2 HG2 GLU 2 -1.833 -14.706 2.302
19 HG3 GLU 2 HG3 GLU 2 -1.984 -15.221 0.634
20 H CYS 3 H CYS 3 -1.627 -10.178 2.091
21 HA CYS 3 HA CYS 3 -2.041 -8.831 -0.461
22 HB2 CYS 3 HB2 CYS 3 -2.855 -7.549 2.144
23 HB3 CYS 3 HB3 CYS 3 -3.120 -6.958 0.516
24 H HIS 4 H HIS 4 -0.369 -7.350 -0.921
25 HA HIS 4 HA HIS 4 2.002 -7.641 0.519
26 HB2 HIS 4 HB2 HIS 4 1.048 -5.886 -1.715
27 HB3 HIS 4 HB3 HIS 4 2.567 -5.498 -0.932
28 HD1 HIS 4 HD1 HIS 4 4.565 -7.156 -1.261
29 HD2 HIS 4 HD2 HIS 4 1.056 -8.241 -3.289
30 HE1 HIS 4 HE1 HIS 4 5.229 -8.985 -2.912
31 HE2 HIS 4 HE2 HIS 4 3.023 -9.650 -4.089
32 H ASN 5 H ASN 5 3.056 -6.336 2.042
33 HA ASN 5 HA ASN 5 1.384 -4.186 3.084
34 HB2 ASN 5 HB2 ASN 5 2.025 -4.774 5.317
35 HB3 ASN 5 HB3 ASN 5 1.710 -6.317 4.546
36 HD21 ASN 5 HD21 ASN 5 3.136 -7.812 4.937
37 HD22 ASN 5 HD22 ASN 5 4.831 -7.606 5.229
38 H GLN 6 H GLN 6 3.933 -4.678 1.163
39 HA GLN 6 HA GLN 6 6.061 -3.432 2.472
40 HB2 GLN 6 HB2 GLN 6 6.797 -3.056 -0.036
41 HB3 GLN 6 HB3 GLN 6 6.737 -4.679 0.623
42 HG2 GLN 6 HG2 GLN 6 4.835 -5.263 -0.592
43 HG3 GLN 6 HG3 GLN 6 4.201 -3.629 -0.601
44 HE21 GLN 6 HE21 GLN 6 5.296 -5.944 -2.529
45 HE22 GLN 6 HE22 GLN 6 6.021 -5.046 -3.820
46 H GLN 7 H GLN 7 6.801 -1.264 2.452
47 HA GLN 7 HA GLN 7 4.751 0.613 1.585
48 HB2 GLN 7 HB2 GLN 7 6.983 0.962 3.636
49 HB3 GLN 7 HB3 GLN 7 5.806 2.190 3.216
50 HG2 GLN 7 HG2 GLN 7 4.772 1.254 5.085
51 HG3 GLN 7 HG3 GLN 7 4.032 0.301 3.814
52 HE21 GLN 7 HE21 GLN 7 3.762 -1.034 5.851
53 HE22 GLN 7 HE22 GLN 7 4.960 -2.243 6.174
54 H SER 8 H SER 8 5.513 2.717 0.649
55 HA SER 8 HA SER 8 6.482 3.584 -1.136
56 HB2 SER 8 HB2 SER 8 9.035 3.184 0.473
57 HB3 SER 8 HB3 SER 8 8.675 4.491 -0.637
58 HG SER 8 HG SER 8 7.701 5.552 0.942
59 H SER 9 H SER 9 9.656 2.892 -1.331
60 HA SER 9 HA SER 9 9.173 0.871 -3.326
61 HB2 SER 9 HB2 SER 9 11.557 2.632 -2.646
62 HB3 SER 9 HB3 SER 9 11.676 1.333 -3.817
63 HG SER 9 HG SER 9 10.435 3.838 -4.037
64 H GLN 10 H GLN 10 9.728 0.892 -0.051
65 HA GLN 10 HA GLN 10 11.863 -0.618 0.497
66 HB2 GLN 10 HB2 GLN 10 9.123 -1.105 1.737
67 HB3 GLN 10 HB3 GLN 10 10.681 -1.375 2.492
68 HG2 GLN 10 HG2 GLN 10 9.399 1.286 1.760
69 HG3 GLN 10 HG3 GLN 10 9.882 0.727 3.349
70 HE21 GLN 10 HE21 GLN 10 10.785 2.353 0.508
71 HE22 GLN 10 HE22 GLN 10 12.451 2.662 0.867
72 HA PRO 11 HA PRO 11 11.683 -4.733 -0.936
73 HB2 PRO 11 HB2 PRO 11 11.386 -5.660 1.898
74 HB3 PRO 11 HB3 PRO 11 12.616 -6.112 0.660
75 HG2 PRO 11 HG2 PRO 11 13.239 -4.468 2.636
76 HG3 PRO 11 HG3 PRO 11 13.789 -4.128 0.952
77 HD2 PRO 11 HD2 PRO 11 11.498 -2.946 2.495
78 HD3 PRO 11 HD3 PRO 11 12.725 -2.130 1.455
79 HA PRO 12 HA PRO 12 7.290 -5.498 -1.246
80 HB2 PRO 12 HB2 PRO 12 8.378 -7.991 -2.502
81 HB3 PRO 12 HB3 PRO 12 7.166 -6.815 -3.135
82 HG2 PRO 12 HG2 PRO 12 9.642 -6.828 -4.066
83 HG3 PRO 12 HG3 PRO 12 8.809 -5.271 -3.698
84 HD2 PRO 12 HD2 PRO 12 10.846 -6.780 -2.088
85 HD3 PRO 12 HD3 PRO 12 10.741 -5.015 -2.444
86 H THR 13 H THR 13 6.018 -6.387 0.409
87 HA THR 13 HA THR 13 6.832 -9.000 1.475
88 HB THR 13 HB THR 13 6.045 -7.914 3.752
89 HG1 THR 13 HG1 THR 13 6.702 -5.515 3.482
90 HG21 THR 13 HG21 THR 13 8.308 -6.802 4.085
91 HG22 THR 13 HG22 THR 13 8.425 -8.460 3.449
92 HG23 THR 13 HG23 THR 13 8.638 -7.071 2.357
93 H THR 14 H THR 14 4.936 -9.817 2.998
94 HA THR 14 HA THR 14 2.350 -9.024 1.926
95 HB THR 14 HB THR 14 1.977 -11.607 1.527
96 HG1 THR 14 HG1 THR 14 4.159 -12.010 2.525
97 HG21 THR 14 HG21 THR 14 3.796 -9.916 -0.264
98 HG22 THR 14 HG22 THR 14 3.122 -11.489 -0.752
99 HG23 THR 14 HG23 THR 14 2.035 -10.118 -0.422
100 H LYS 15 H LYS 15 0.538 -9.886 3.171
101 HA LYS 15 HA LYS 15 1.262 -11.096 5.702
102 HB2 LYS 15 HB2 LYS 15 0.425 -8.254 5.396
103 HB3 LYS 15 HB3 LYS 15 -0.324 -9.159 6.696
104 HG2 LYS 15 HG2 LYS 15 1.820 -9.710 7.681
105 HG3 LYS 15 HG3 LYS 15 2.692 -9.165 6.262
106 HD2 LYS 15 HD2 LYS 15 1.666 -6.824 6.717
107 HD3 LYS 15 HD3 LYS 15 1.178 -7.455 8.278
108 HE2 LYS 15 HE2 LYS 15 3.386 -7.655 9.052
109 HE3 LYS 15 HE3 LYS 15 4.051 -7.846 7.442
110 HZ1 LYS 15 HZ1 LYS 15 3.783 -5.511 8.908
111 HZ2 LYS 15 HZ2 LYS 15 4.434 -5.695 7.422
112 HZ3 LYS 15 HZ3 LYS 15 2.845 -5.356 7.581
113 H THR 16 H THR 16 -0.541 -12.127 6.741
114 HA THR 16 HA THR 16 -2.560 -12.912 4.851
115 HB THR 16 HB THR 16 -2.408 -13.647 7.803
116 HG1 THR 16 HG1 THR 16 -0.670 -15.039 7.155
117 HG21 THR 16 HG21 THR 16 -2.705 -15.964 6.430
118 HG22 THR 16 HG22 THR 16 -4.107 -14.969 6.890
119 HG23 THR 16 HG23 THR 16 -3.440 -14.860 5.243
120 H CYS 17 H CYS 17 -4.566 -12.141 4.593
121 HA CYS 17 HA CYS 17 -5.312 -9.893 6.199
122 HB2 CYS 17 HB2 CYS 17 -7.062 -11.201 4.132
123 HB3 CYS 17 HB3 CYS 17 -7.036 -9.528 4.655
124 H SER 18 H SER 18 -6.510 -10.044 8.067
125 HA SER 18 HA SER 18 -7.807 -12.599 8.546
126 HB2 SER 18 HB2 SER 18 -7.928 -11.552 10.964
127 HB3 SER 18 HB3 SER 18 -6.415 -12.213 10.376
128 HG SER 18 HG SER 18 -5.999 -10.158 11.274
129 H GLY 19 H GLY 19 -9.998 -12.677 8.222
130 HA2 GLY 19 HA2 GLY 19 -12.176 -12.068 8.410
131 HA3 GLY 19 HA3 GLY 19 -11.701 -10.579 9.202
132 H GLU 20 H GLU 20 -9.698 -10.423 6.657
133 HA GLU 20 HA GLU 20 -11.693 -9.018 5.075
134 HB2 GLU 20 HB2 GLU 20 -8.686 -8.711 4.797
135 HB3 GLU 20 HB3 GLU 20 -9.939 -7.590 4.303
136 HG2 GLU 20 HG2 GLU 20 -10.456 -6.998 6.586
137 HG3 GLU 20 HG3 GLU 20 -9.550 -8.355 7.225
138 H THR 21 H THR 21 -11.482 -9.116 2.663
139 HA THR 21 HA THR 21 -10.093 -11.521 1.725
140 HB THR 21 HB THR 21 -12.291 -11.923 0.362
141 HG1 THR 21 HG1 THR 21 -13.613 -10.736 2.573
142 HG21 THR 21 HG21 THR 21 -12.264 -12.223 3.410
143 HG22 THR 21 HG22 THR 21 -13.477 -12.976 2.347
144 HG23 THR 21 HG23 THR 21 -11.766 -13.451 2.222
145 H ASN 22 H ASN 22 -9.902 -8.398 1.641
146 HA ASN 22 HA ASN 22 -9.517 -8.386 -1.241
147 HB2 ASN 22 HB2 ASN 22 -10.672 -6.102 0.446
148 HB3 ASN 22 HB3 ASN 22 -10.239 -5.958 -1.246
149 HD21 ASN 22 HD21 ASN 22 -12.368 -7.489 1.076
150 HD22 ASN 22 HD22 ASN 22 -13.636 -7.941 -0.014
151 H CYS 23 H CYS 23 -7.780 -6.799 -1.902
152 HA CYS 23 HA CYS 23 -6.020 -6.178 0.359
153 HB2 CYS 23 HB2 CYS 23 -5.188 -6.821 -2.477
154 HB3 CYS 23 HB3 CYS 23 -4.125 -6.479 -1.127
155 H TYR 24 H TYR 24 -5.217 -4.044 0.455
156 HA TYR 24 HA TYR 24 -6.198 -2.258 -1.670
157 HB2 TYR 24 HB2 TYR 24 -6.626 -0.692 0.126
158 HB3 TYR 24 HB3 TYR 24 -7.123 -2.228 0.806
159 HD1 TYR 24 HD2 TYR 24 -4.531 0.393 0.859
160 HD2 TYR 24 HD1 TYR 24 -5.871 -3.274 2.609
161 HE1 TYR 24 HE2 TYR 24 -2.928 0.727 2.803
162 HE2 TYR 24 HE1 TYR 24 -4.263 -2.928 4.548
163 HH TYR 24 HH TYR 24 -2.229 -0.016 4.705
164 H LYS 25 H LYS 25 -4.845 -0.413 -2.210
165 HA LYS 25 HA LYS 25 -2.114 -0.560 -1.206
166 HB2 LYS 25 HB2 LYS 25 -1.924 -1.944 -3.123
167 HB3 LYS 25 HB3 LYS 25 -2.929 -0.890 -4.096
168 HG2 LYS 25 HG2 LYS 25 -1.182 0.925 -3.868
169 HG3 LYS 25 HG3 LYS 25 -0.167 -0.200 -2.987
170 HD2 LYS 25 HD2 LYS 25 0.528 -0.178 -5.334
171 HD3 LYS 25 HD3 LYS 25 -0.170 -1.743 -4.964
172 HE2 LYS 25 HE2 LYS 25 -2.096 -1.352 -6.235
173 HE3 LYS 25 HE3 LYS 25 -2.033 0.384 -6.004
174 HZ1 LYS 25 HZ1 LYS 25 -0.607 -1.249 -7.918
175 HZ2 LYS 25 HZ2 LYS 25 -1.287 0.223 -8.110
176 HZ3 LYS 25 HZ3 LYS 25 0.158 0.082 -7.362
177 H LYS 26 H LYS 26 -1.612 1.427 -0.475
178 HA LYS 26 HA LYS 26 -2.965 3.685 -1.775
179 HB2 LYS 26 HB2 LYS 26 -1.717 3.924 0.932
180 HB3 LYS 26 HB3 LYS 26 -3.099 4.762 0.255
181 HG2 LYS 26 HG2 LYS 26 -4.485 2.737 0.427
182 HG3 LYS 26 HG3 LYS 26 -3.102 1.783 0.927
183 HD2 LYS 26 HD2 LYS 26 -3.057 2.701 3.076
184 HD3 LYS 26 HD3 LYS 26 -3.736 4.231 2.559
185 HE2 LYS 26 HE2 LYS 26 -5.876 2.670 2.015
186 HE3 LYS 26 HE3 LYS 26 -5.148 1.661 3.248
187 HZ1 LYS 26 HZ1 LYS 26 -5.898 3.050 4.759
188 HZ2 LYS 26 HZ2 LYS 26 -5.093 4.310 4.103
189 HZ3 LYS 26 HZ3 LYS 26 -6.612 3.966 3.611
190 H TRP 27 H TRP 27 -1.749 5.473 -2.471
191 HA TRP 27 HA TRP 27 1.069 5.555 -1.965
192 HB2 TRP 27 HB2 TRP 27 1.867 5.226 -4.166
193 HB3 TRP 27 HB3 TRP 27 0.916 3.820 -3.731
194 HD1 TRP 27 HD1 TRP 27 0.996 6.675 -6.255
195 HE1 TRP 27 HE1 TRP 27 -0.860 6.399 -8.111
196 HE3 TRP 27 HE3 TRP 27 -1.465 2.856 -3.971
197 HZ2 TRP 27 HZ2 TRP 27 -3.098 4.653 -8.409
198 HZ3 TRP 27 HZ3 TRP 27 -3.475 1.923 -5.112
199 HH2 TRP 27 HH2 TRP 27 -4.299 2.760 -7.255
200 H TRP 28 H TRP 28 1.879 7.666 -2.430
201 HA TRP 28 HA TRP 28 0.304 9.499 -3.956
202 HB2 TRP 28 HB2 TRP 28 -0.261 11.035 -2.199
203 HB3 TRP 28 HB3 TRP 28 -1.012 9.480 -1.900
204 HD1 TRP 28 HD1 TRP 28 1.451 11.922 -0.339
205 HE1 TRP 28 HE1 TRP 28 2.217 11.153 2.066
206 HE3 TRP 28 HE3 TRP 28 -0.583 7.270 -0.606
207 HZ2 TRP 28 HZ2 TRP 28 1.893 8.739 3.554
208 HZ3 TRP 28 HZ3 TRP 28 -0.313 5.769 1.366
209 HH2 TRP 28 HH2 TRP 28 0.875 6.437 3.395
210 H SER 29 H SER 29 1.428 11.790 -3.702
211 HA SER 29 HA SER 29 4.275 11.214 -3.585
212 HB2 SER 29 HB2 SER 29 4.566 13.172 -5.035
213 HB3 SER 29 HB3 SER 29 3.395 12.077 -5.741
214 HG SER 29 HG SER 29 2.806 14.422 -5.720
215 H ASP 30 H ASP 30 5.722 12.835 -2.569
216 HA ASP 30 HA ASP 30 4.372 14.740 -0.876
217 HB2 ASP 30 HB2 ASP 30 4.684 12.578 0.429
218 HB3 ASP 30 HB3 ASP 30 6.414 12.738 0.198
219 H HIS 31 H HIS 31 6.175 16.171 0.257
220 HA HIS 31 HA HIS 31 7.950 17.024 -1.749
221 HB2 HIS 31 HB2 HIS 31 6.866 18.473 -0.035
222 HB3 HIS 31 HB3 HIS 31 7.888 17.752 1.193
223 HD1 HIS 31 HD1 HIS 31 8.445 19.502 -2.188
224 HD2 HIS 31 HD2 HIS 31 10.117 19.245 1.651
225 HE1 HIS 31 HE1 HIS 31 10.422 21.115 -2.160
226 HE2 HIS 31 HE2 HIS 31 11.375 20.955 0.240
227 H ARG 32 H ARG 32 8.072 14.404 0.424
228 HA ARG 32 HA ARG 32 10.966 14.514 0.520
229 HB2 ARG 32 HB2 ARG 32 8.962 12.716 1.974
230 HB3 ARG 32 HB3 ARG 32 10.700 12.579 2.153
231 HG2 ARG 32 HG2 ARG 32 9.087 15.101 2.770
232 HG3 ARG 32 HG3 ARG 32 9.626 13.946 3.973
233 HD2 ARG 32 HD2 ARG 32 11.244 15.928 2.383
234 HD3 ARG 32 HD3 ARG 32 11.363 15.511 4.081
235 HE ARG 32 HE ARG 32 12.666 14.125 1.838
236 HH11 ARG 32 HH22 ARG 32 11.686 13.921 5.211
237 HH12 ARG 32 HH21 ARG 32 12.832 12.682 5.602
238 HH21 ARG 32 HH12 ARG 32 14.178 12.490 2.353
239 HH22 ARG 32 HH11 ARG 32 14.259 11.863 3.965
240 H GLY 33 H GLY 33 8.186 12.834 -0.883
241 HA2 GLY 33 HA2 GLY 33 9.315 11.730 -3.033
242 HA3 GLY 33 HA3 GLY 33 9.758 10.567 -1.799
243 H THR 34 H THR 34 8.299 9.288 -3.469
244 HA THR 34 HA THR 34 5.465 9.704 -3.039
245 HB THR 34 HB THR 34 7.187 7.828 -4.724
246 HG1 THR 34 HG1 THR 34 6.123 9.188 -6.343
247 HG21 THR 34 HG21 THR 34 4.626 7.656 -5.743
248 HG22 THR 34 HG22 THR 34 5.358 6.411 -4.702
249 HG23 THR 34 HG23 THR 34 4.294 7.650 -3.994
250 H ILE 35 H ILE 35 4.469 9.014 -1.260
251 HA ILE 35 HA ILE 35 5.671 6.824 0.213
252 HB ILE 35 HB ILE 35 3.367 8.671 0.844
253 HG12 ILE 35 HG12 ILE 35 6.291 8.687 1.604
254 HG13 ILE 35 HG13 ILE 35 5.366 9.948 0.815
255 HG21 ILE 35 HG21 ILE 35 3.599 7.788 3.155
256 HG22 ILE 35 HG22 ILE 35 3.023 6.579 1.983
257 HG23 ILE 35 HG23 ILE 35 4.715 6.549 2.534
258 HD11 ILE 35 HD11 ILE 35 5.619 10.599 3.129
259 HD12 ILE 35 HD12 ILE 35 3.925 10.093 2.920
260 HD13 ILE 35 HD13 ILE 35 5.092 8.997 3.698
261 H ILE 36 H ILE 36 4.869 4.763 0.315
262 HA ILE 36 HA ILE 36 2.268 4.324 -0.966
263 HB ILE 36 HB ILE 36 4.638 2.500 -1.325
264 HG12 ILE 36 HG12 ILE 36 3.695 4.707 -3.179
265 HG13 ILE 36 HG13 ILE 36 5.206 4.679 -2.292
266 HG21 ILE 36 HG21 ILE 36 2.528 2.529 -3.347
267 HG22 ILE 36 HG22 ILE 36 3.267 1.167 -2.472
268 HG23 ILE 36 HG23 ILE 36 1.938 2.087 -1.727
269 HD11 ILE 36 HD11 ILE 36 5.837 2.554 -3.490
270 HD12 ILE 36 HD12 ILE 36 4.344 2.697 -4.448
271 HD13 ILE 36 HD13 ILE 36 5.613 3.937 -4.588
272 H GLU 37 H GLU 37 0.867 3.320 0.371
273 HA GLU 37 HA GLU 37 2.056 1.654 2.447
274 HB2 GLU 37 HB2 GLU 37 -0.180 3.700 2.711
275 HB3 GLU 37 HB3 GLU 37 0.072 2.439 3.901
276 HG2 GLU 37 HG2 GLU 37 2.257 4.391 3.040
277 HG3 GLU 37 HG3 GLU 37 1.213 4.664 4.421
278 H ARG 38 H ARG 38 1.442 -0.436 2.124
279 HA ARG 38 HA ARG 38 -1.224 -0.814 1.013
280 HB2 ARG 38 HB2 ARG 38 1.173 -2.691 0.714
281 HB3 ARG 38 HB3 ARG 38 -0.385 -2.871 -0.068
282 HG2 ARG 38 HG2 ARG 38 0.097 -0.469 -1.051
283 HG3 ARG 38 HG3 ARG 38 1.760 -0.790 -0.601
284 HD2 ARG 38 HD2 ARG 38 1.371 -3.092 -1.879
285 HD3 ARG 38 HD3 ARG 38 0.038 -2.240 -2.631
286 HE ARG 38 HE ARG 38 1.601 -1.114 -3.936
287 HH11 ARG 38 HH22 ARG 38 3.158 -2.074 -0.930
288 HH12 ARG 38 HH21 ARG 38 4.708 -1.450 -1.385
289 HH21 ARG 38 HH12 ARG 38 3.646 -0.291 -4.537
290 HH22 ARG 38 HH11 ARG 38 4.988 -0.429 -3.450
291 H GLY 39 H GLY 39 -2.253 -2.976 1.675
292 HA2 GLY 39 HA2 GLY 39 -1.243 -4.493 3.822
293 HA3 GLY 39 HA3 GLY 39 -2.299 -3.247 4.458
294 H CYS 40 H CYS 40 -3.384 -5.506 5.044
295 HA CYS 40 HA CYS 40 -4.873 -6.615 2.848
296 HB2 CYS 40 HB2 CYS 40 -4.559 -7.272 5.757
297 HB3 CYS 40 HB3 CYS 40 -5.917 -7.925 4.863
298 H GLY 41 H GLY 41 -7.260 -6.611 2.801
299 HA2 GLY 41 HA2 GLY 41 -9.342 -5.856 3.517
300 HA3 GLY 41 HA3 GLY 41 -8.577 -4.659 4.544
301 H CYS 42 H CYS 42 -10.247 -3.210 3.473
302 HA CYS 42 HA CYS 42 -8.984 -1.967 1.181
303 HB2 CYS 42 HB2 CYS 42 -10.531 -3.426 0.087
304 HB3 CYS 42 HB3 CYS 42 -11.830 -2.975 1.173
305 HA PRO 43 HA PRO 43 -10.430 0.792 4.633
306 HB2 PRO 43 HB2 PRO 43 -8.083 2.193 4.721
307 HB3 PRO 43 HB3 PRO 43 -8.298 0.618 5.572
308 HG2 PRO 43 HG2 PRO 43 -7.057 1.187 2.899
309 HG3 PRO 43 HG3 PRO 43 -6.439 0.172 4.256
310 HD2 PRO 43 HD2 PRO 43 -7.691 -0.887 2.126
311 HD3 PRO 43 HD3 PRO 43 -7.899 -1.545 3.792
312 H LYS 44 H LYS 44 -10.098 3.384 4.641
313 HA LYS 44 HA LYS 44 -10.538 4.230 1.861
314 HB2 LYS 44 HB2 LYS 44 -12.608 4.311 3.098
315 HB3 LYS 44 HB3 LYS 44 -11.852 5.175 4.422
316 HG2 LYS 44 HG2 LYS 44 -12.849 6.935 3.237
317 HG3 LYS 44 HG3 LYS 44 -11.223 6.963 2.585
318 HD2 LYS 44 HD2 LYS 44 -12.496 7.009 0.619
319 HD3 LYS 44 HD3 LYS 44 -12.181 5.292 0.775
320 HE2 LYS 44 HE2 LYS 44 -14.647 6.417 2.111
321 HE3 LYS 44 HE3 LYS 44 -14.666 6.220 0.370
322 HZ1 LYS 44 HZ1 LYS 44 -14.456 4.187 2.427
323 HZ2 LYS 44 HZ2 LYS 44 -15.348 4.190 1.060
324 HZ3 LYS 44 HZ3 LYS 44 -13.744 3.893 0.987
325 H VAL 45 H VAL 45 -9.482 6.084 1.123
326 HA VAL 45 HA VAL 45 -7.485 7.140 3.003
327 HB VAL 45 HB VAL 45 -6.061 7.519 1.093
328 HG11 VAL 45 HG11 VAL 45 -7.191 4.709 1.253
329 HG12 VAL 45 HG12 VAL 45 -5.707 5.132 0.367
330 HG13 VAL 45 HG13 VAL 45 -5.792 5.375 2.128
331 HG21 VAL 45 HG21 VAL 45 -8.472 6.628 -0.476
332 HG22 VAL 45 HG22 VAL 45 -7.416 8.039 -0.725
333 HG23 VAL 45 HG23 VAL 45 -6.834 6.409 -1.138
334 H LYS 46 H LYS 46 -6.831 9.464 2.502
335 HA LYS 46 HA LYS 46 -9.271 10.976 2.175
336 HB2 LYS 46 HB2 LYS 46 -6.548 12.130 2.748
337 HB3 LYS 46 HB3 LYS 46 -8.125 12.754 3.189
338 HG2 LYS 46 HG2 LYS 46 -8.452 10.741 4.692
339 HG3 LYS 46 HG3 LYS 46 -6.820 10.230 4.310
340 HD2 LYS 46 HD2 LYS 46 -6.784 11.455 6.426
341 HD3 LYS 46 HD3 LYS 46 -5.938 12.398 5.215
342 HE2 LYS 46 HE2 LYS 46 -7.665 13.994 5.041
343 HE3 LYS 46 HE3 LYS 46 -8.898 12.880 5.598
344 HZ1 LYS 46 HZ1 LYS 46 -8.410 14.391 7.324
345 HZ2 LYS 46 HZ2 LYS 46 -7.792 12.951 7.784
346 HZ3 LYS 46 HZ3 LYS 46 -6.801 14.126 7.233
347 HA PRO 47 HA PRO 47 -8.855 12.641 -1.807
348 HB2 PRO 47 HB2 PRO 47 -8.352 15.329 -0.584
349 HB3 PRO 47 HB3 PRO 47 -9.605 14.821 -1.778
350 HG2 PRO 47 HG2 PRO 47 -10.249 15.238 0.754
351 HG3 PRO 47 HG3 PRO 47 -10.904 13.813 -0.136
352 HD2 PRO 47 HD2 PRO 47 -8.634 13.969 1.824
353 HD3 PRO 47 HD3 PRO 47 -9.968 12.760 1.704
354 H GLY 48 H GLY 48 -7.116 12.726 -3.285
355 HA2 GLY 48 HA2 GLY 48 -5.113 13.701 -4.056
356 HA3 GLY 48 HA3 GLY 48 -4.618 14.008 -2.403
357 H VAL 49 H VAL 49 -5.400 11.353 -1.346
358 HA VAL 49 HA VAL 49 -3.031 9.950 -2.181
359 HB VAL 49 HB VAL 49 -5.102 8.961 -0.240
360 HG11 VAL 49 HG11 VAL 49 -3.094 8.055 0.907
361 HG12 VAL 49 HG12 VAL 49 -3.278 7.441 -0.754
362 HG13 VAL 49 HG13 VAL 49 -2.079 8.709 -0.401
363 HG21 VAL 49 HG21 VAL 49 -4.915 10.857 0.942
364 HG22 VAL 49 HG22 VAL 49 -3.255 10.329 1.310
365 HG23 VAL 49 HG23 VAL 49 -3.555 11.440 -0.048
366 H ASN 50 H ASN 50 -2.964 7.857 -3.135
367 HA ASN 50 HA ASN 50 -5.355 7.326 -4.677
368 HB2 ASN 50 HB2 ASN 50 -2.426 6.526 -4.928
369 HB3 ASN 50 HB3 ASN 50 -3.653 5.652 -5.824
370 HD21 ASN 50 HD21 ASN 50 -1.789 8.506 -5.546
371 HD22 ASN 50 HD22 ASN 50 -2.369 9.357 -6.938
372 H LEU 51 H LEU 51 -6.327 5.176 -4.659
373 HA LEU 51 HA LEU 51 -5.179 3.224 -2.845
374 HB2 LEU 51 HB2 LEU 51 -6.513 4.445 -1.321
375 HB3 LEU 51 HB3 LEU 51 -7.855 4.543 -2.444
376 HG LEU 51 HG LEU 51 -8.301 2.166 -2.207
377 HD11 LEU 51 HD11 LEU 51 -5.614 2.125 -1.096
378 HD12 LEU 51 HD12 LEU 51 -6.784 1.289 -0.047
379 HD13 LEU 51 HD13 LEU 51 -6.607 0.800 -1.750
380 HD21 LEU 51 HD21 LEU 51 -8.515 4.100 -0.110
381 HD22 LEU 51 HD22 LEU 51 -9.601 2.749 -0.510
382 HD23 LEU 51 HD23 LEU 51 -8.242 2.496 0.610
383 H ASN 52 H ASN 52 -5.638 1.105 -3.453
384 HA ASN 52 HA ASN 52 -7.560 0.822 -5.607
385 HB2 ASN 52 HB2 ASN 52 -5.011 0.956 -6.341
386 HB3 ASN 52 HB3 ASN 52 -4.907 -0.667 -5.688
387 HD21 ASN 52 HD21 ASN 52 -6.235 -2.326 -6.546
388 HD22 ASN 52 HD22 ASN 52 -6.835 -2.261 -8.169
389 H CYS 53 H CYS 53 -8.961 -0.846 -5.023
390 HA CYS 53 HA CYS 53 -7.926 -2.805 -3.108
391 HB2 CYS 53 HB2 CYS 53 -10.789 -1.947 -3.578
392 HB3 CYS 53 HB3 CYS 53 -10.255 -3.152 -2.423
393 H CYS 54 H CYS 54 -8.353 -5.056 -3.545
394 HA CYS 54 HA CYS 54 -9.782 -5.707 -5.955
395 HB2 CYS 54 HB2 CYS 54 -7.739 -7.153 -6.672
396 HB3 CYS 54 HB3 CYS 54 -7.856 -5.471 -7.150
397 H ARG 55 H ARG 55 -9.919 -8.200 -6.127
398 HA ARG 55 HA ARG 55 -9.815 -9.260 -3.419
399 HB2 ARG 55 HB2 ARG 55 -11.635 -9.998 -5.766
400 HB3 ARG 55 HB3 ARG 55 -11.625 -10.854 -4.237
401 HG2 ARG 55 HG2 ARG 55 -12.628 -9.098 -3.074
402 HG3 ARG 55 HG3 ARG 55 -11.937 -7.866 -4.112
403 HD2 ARG 55 HD2 ARG 55 -14.097 -9.803 -5.065
404 HD3 ARG 55 HD3 ARG 55 -14.468 -8.243 -4.358
405 HE ARG 55 HE ARG 55 -13.440 -8.726 -7.036
406 HH11 ARG 55 HH22 ARG 55 -13.490 -6.384 -4.411
407 HH12 ARG 55 HH21 ARG 55 -13.202 -5.026 -5.447
408 HH21 ARG 55 HH12 ARG 55 -13.060 -6.935 -8.403
409 HH22 ARG 55 HH11 ARG 55 -12.956 -5.341 -7.733
410 H THR 56 H THR 56 -7.426 -9.342 -4.825
411 HA THR 56 HA THR 56 -7.231 -12.195 -5.487
412 HB THR 56 HB THR 56 -5.470 -11.247 -7.251
413 HG1 THR 56 HG1 THR 56 -7.391 -9.154 -7.463
414 HG21 THR 56 HG21 THR 56 -8.496 -10.954 -7.646
415 HG22 THR 56 HG22 THR 56 -7.294 -10.939 -8.959
416 HG23 THR 56 HG23 THR 56 -7.536 -12.413 -7.992
417 H ASP 57 H ASP 57 -5.332 -13.226 -4.853
418 HA ASP 57 HA ASP 57 -4.174 -12.200 -2.580
419 HB2 ASP 57 HB2 ASP 57 -3.102 -14.300 -4.523
420 HB3 ASP 57 HB3 ASP 57 -2.488 -14.051 -2.901
421 H ARG 58 H ARG 58 -2.138 -11.126 -2.220
422 HA ARG 58 HA ARG 58 -0.665 -9.594 -2.720
423 HB2 ARG 58 HB2 ARG 58 0.334 -11.460 -4.909
424 HB3 ARG 58 HB3 ARG 58 1.286 -10.455 -3.834
425 HG2 ARG 58 HG2 ARG 58 0.218 -11.915 -1.910
426 HG3 ARG 58 HG3 ARG 58 -0.170 -13.041 -3.197
427 HD2 ARG 58 HD2 ARG 58 2.132 -13.407 -3.741
428 HD3 ARG 58 HD3 ARG 58 2.655 -11.954 -2.913
429 HE ARG 58 HE ARG 58 1.363 -13.769 -1.063
430 HH11 ARG 58 HH22 ARG 58 4.376 -13.234 -2.800
431 HH12 ARG 58 HH21 ARG 58 5.342 -14.092 -1.646
432 HH21 ARG 58 HH12 ARG 58 2.637 -14.902 0.459
433 HH22 ARG 58 HH11 ARG 58 4.346 -15.047 0.220
434 H CYS 59 H CYS 59 -3.122 -9.122 -4.138
435 HA CYS 59 HA CYS 59 -2.396 -8.490 -6.851
436 HB2 CYS 59 HB2 CYS 59 -4.673 -7.907 -7.174
437 HB3 CYS 59 HB3 CYS 59 -4.623 -9.404 -6.265
438 H ASN 60 H ASN 60 -2.491 -7.045 -3.652
439 HA ASN 60 HA ASN 60 -2.466 -4.382 -4.760
440 HB2 ASN 60 HB2 ASN 60 -2.625 -3.631 -2.425
441 HB3 ASN 60 HB3 ASN 60 -3.793 -4.914 -2.672
442 HD21 ASN 60 HD21 ASN 60 -2.109 -3.828 -0.357
443 HD22 ASN 60 HD22 ASN 60 -1.442 -5.233 0.405
444 H ASN 61 H ASN 61 -0.247 -5.769 -5.653
445 HA ASN 61 HA ASN 61 1.889 -5.644 -3.813
446 HB2 ASN 61 HB2 ASN 61 2.203 -7.262 -5.516
447 HB3 ASN 61 HB3 ASN 61 1.577 -6.213 -6.772
448 HD21 ASN 61 HD21 ASN 61 4.295 -7.538 -5.420
449 HD22 ASN 61 HD22 ASN 61 5.522 -6.500 -6.067
Start of MODEL 4
1 H1 LEU 1 H1 LEU 1 -5.396 -15.539 2.633
2 H2 LEU 1 H2 LEU 1 -6.585 -16.080 1.617
3 H3 LEU 1 H3 LEU 1 -6.915 -14.885 2.715
4 HA LEU 1 HA LEU 1 -5.506 -14.790 0.216
5 HB2 LEU 1 HB2 LEU 1 -7.753 -14.043 0.201
6 HB3 LEU 1 HB3 LEU 1 -7.526 -13.070 1.641
7 HG LEU 1 HG LEU 1 -5.796 -11.758 0.177
8 HD11 LEU 1 HD11 LEU 1 -6.504 -11.692 -2.228
9 HD12 LEU 1 HD12 LEU 1 -5.678 -13.188 -1.729
10 HD13 LEU 1 HD13 LEU 1 -7.447 -13.172 -1.928
11 HD21 LEU 1 HD21 LEU 1 -7.582 -10.515 0.922
12 HD22 LEU 1 HD22 LEU 1 -7.837 -10.465 -0.839
13 HD23 LEU 1 HD23 LEU 1 -8.788 -11.584 0.167
14 H GLU 2 H GLU 2 -3.709 -13.521 -0.176
15 HA GLU 2 HA GLU 2 -2.583 -12.310 2.226
16 HB2 GLU 2 HB2 GLU 2 -1.113 -13.317 -0.250
17 HB3 GLU 2 HB3 GLU 2 -0.365 -12.685 1.203
18 HG2 GLU 2 HG2 GLU 2 -0.261 -15.028 1.524
19 HG3 GLU 2 HG3 GLU 2 -1.655 -14.559 2.476
20 H CYS 3 H CYS 3 -1.615 -10.200 2.073
21 HA CYS 3 HA CYS 3 -2.041 -8.840 -0.471
22 HB2 CYS 3 HB2 CYS 3 -2.842 -7.572 2.146
23 HB3 CYS 3 HB3 CYS 3 -3.111 -6.968 0.523
24 H HIS 4 H HIS 4 -0.371 -7.356 -0.931
25 HA HIS 4 HA HIS 4 2.007 -7.658 0.498
26 HB2 HIS 4 HB2 HIS 4 1.047 -5.898 -1.730
27 HB3 HIS 4 HB3 HIS 4 2.568 -5.512 -0.951
28 HD1 HIS 4 HD1 HIS 4 4.562 -7.180 -1.279
29 HD2 HIS 4 HD2 HIS 4 1.052 -8.241 -3.317
30 HE1 HIS 4 HE1 HIS 4 5.221 -9.005 -2.936
31 HE2 HIS 4 HE2 HIS 4 3.014 -9.654 -4.120
32 H ASN 5 H ASN 5 3.016 -6.428 2.084
33 HA ASN 5 HA ASN 5 1.378 -4.242 3.105
34 HB2 ASN 5 HB2 ASN 5 1.982 -4.855 5.338
35 HB3 ASN 5 HB3 ASN 5 1.669 -6.391 4.554
36 HD21 ASN 5 HD21 ASN 5 3.601 -5.048 6.676
37 HD22 ASN 5 HD22 ASN 5 5.112 -5.846 6.392
38 H GLN 6 H GLN 6 3.828 -4.603 1.129
39 HA GLN 6 HA GLN 6 5.999 -3.432 2.493
40 HB2 GLN 6 HB2 GLN 6 6.757 -3.057 -0.010
41 HB3 GLN 6 HB3 GLN 6 6.690 -4.679 0.650
42 HG2 GLN 6 HG2 GLN 6 4.807 -5.267 -0.586
43 HG3 GLN 6 HG3 GLN 6 4.161 -3.638 -0.589
44 HE21 GLN 6 HE21 GLN 6 5.228 -5.919 -2.543
45 HE22 GLN 6 HE22 GLN 6 5.973 -5.014 -3.819
46 H GLN 7 H GLN 7 6.757 -1.265 2.456
47 HA GLN 7 HA GLN 7 4.712 0.616 1.586
48 HB2 GLN 7 HB2 GLN 7 4.996 1.026 3.863
49 HB3 GLN 7 HB3 GLN 7 6.693 0.586 3.849
50 HG2 GLN 7 HG2 GLN 7 7.217 2.684 2.574
51 HG3 GLN 7 HG3 GLN 7 5.522 3.126 2.616
52 HE21 GLN 7 HE21 GLN 7 5.043 4.559 4.079
53 HE22 GLN 7 HE22 GLN 7 5.758 4.752 5.645
54 H SER 8 H SER 8 5.531 2.760 0.719
55 HA SER 8 HA SER 8 6.495 3.624 -1.076
56 HB2 SER 8 HB2 SER 8 9.056 3.153 0.500
57 HB3 SER 8 HB3 SER 8 8.700 4.492 -0.574
58 HG SER 8 HG SER 8 8.372 5.278 1.502
59 H SER 9 H SER 9 9.652 2.881 -1.309
60 HA SER 9 HA SER 9 9.113 0.876 -3.309
61 HB2 SER 9 HB2 SER 9 11.670 1.338 -3.762
62 HB3 SER 9 HB3 SER 9 10.473 2.524 -4.244
63 HG SER 9 HG SER 9 12.410 3.326 -3.007
64 H GLN 10 H GLN 10 9.726 0.880 -0.050
65 HA GLN 10 HA GLN 10 11.873 -0.626 0.457
66 HB2 GLN 10 HB2 GLN 10 9.175 -1.183 1.750
67 HB3 GLN 10 HB3 GLN 10 10.760 -1.349 2.479
68 HG2 GLN 10 HG2 GLN 10 9.152 1.131 1.967
69 HG3 GLN 10 HG3 GLN 10 10.163 0.726 3.339
70 HE21 GLN 10 HE21 GLN 10 12.486 0.743 3.057
71 HE22 GLN 10 HE22 GLN 10 13.223 1.862 1.958
72 HA PRO 11 HA PRO 11 11.682 -4.739 -0.982
73 HB2 PRO 11 HB2 PRO 11 11.403 -5.677 1.850
74 HB3 PRO 11 HB3 PRO 11 12.625 -6.125 0.601
75 HG2 PRO 11 HG2 PRO 11 13.262 -4.488 2.580
76 HG3 PRO 11 HG3 PRO 11 13.800 -4.142 0.894
77 HD2 PRO 11 HD2 PRO 11 11.521 -2.965 2.457
78 HD3 PRO 11 HD3 PRO 11 12.741 -2.146 1.412
79 HA PRO 12 HA PRO 12 7.280 -5.481 -1.258
80 HB2 PRO 12 HB2 PRO 12 8.350 -7.952 -2.572
81 HB3 PRO 12 HB3 PRO 12 7.132 -6.764 -3.169
82 HG2 PRO 12 HG2 PRO 12 9.597 -6.761 -4.129
83 HG3 PRO 12 HG3 PRO 12 8.770 -5.211 -3.723
84 HD2 PRO 12 HD2 PRO 12 10.825 -6.751 -2.165
85 HD3 PRO 12 HD3 PRO 12 10.717 -4.980 -2.488
86 H THR 13 H THR 13 6.022 -6.404 0.389
87 HA THR 13 HA THR 13 6.847 -9.035 1.400
88 HB THR 13 HB THR 13 6.091 -7.994 3.706
89 HG1 THR 13 HG1 THR 13 5.377 -6.022 2.407
90 HG21 THR 13 HG21 THR 13 8.357 -6.883 4.031
91 HG22 THR 13 HG22 THR 13 8.469 -8.528 3.359
92 HG23 THR 13 HG23 THR 13 8.664 -7.116 2.293
93 H THR 14 H THR 14 4.967 -9.873 2.935
94 HA THR 14 HA THR 14 2.373 -9.066 1.886
95 HB THR 14 HB THR 14 1.992 -11.648 1.494
96 HG1 THR 14 HG1 THR 14 3.904 -12.772 1.616
97 HG21 THR 14 HG21 THR 14 2.027 -10.211 -0.473
98 HG22 THR 14 HG22 THR 14 3.776 -9.927 -0.299
99 HG23 THR 14 HG23 THR 14 3.179 -11.532 -0.785
100 H LYS 15 H LYS 15 0.563 -9.959 3.133
101 HA LYS 15 HA LYS 15 1.292 -11.162 5.660
102 HB2 LYS 15 HB2 LYS 15 1.529 -8.621 5.877
103 HB3 LYS 15 HB3 LYS 15 -0.211 -8.539 5.685
104 HG2 LYS 15 HG2 LYS 15 0.051 -8.655 8.030
105 HG3 LYS 15 HG3 LYS 15 -0.323 -10.313 7.600
106 HD2 LYS 15 HD2 LYS 15 2.198 -10.757 7.488
107 HD3 LYS 15 HD3 LYS 15 2.447 -9.152 8.146
108 HE2 LYS 15 HE2 LYS 15 1.195 -9.729 10.185
109 HE3 LYS 15 HE3 LYS 15 0.739 -11.283 9.515
110 HZ1 LYS 15 HZ1 LYS 15 3.276 -10.438 10.583
111 HZ2 LYS 15 HZ2 LYS 15 2.557 -11.904 10.639
112 HZ3 LYS 15 HZ3 LYS 15 3.348 -11.433 9.289
113 H THR 16 H THR 16 -0.516 -12.174 6.708
114 HA THR 16 HA THR 16 -2.558 -12.929 4.831
115 HB THR 16 HB THR 16 -2.400 -13.670 7.780
116 HG1 THR 16 HG1 THR 16 -0.893 -14.638 5.452
117 HG21 THR 16 HG21 THR 16 -3.460 -14.864 5.223
118 HG22 THR 16 HG22 THR 16 -2.725 -15.981 6.398
119 HG23 THR 16 HG23 THR 16 -4.115 -14.976 6.874
120 H CYS 17 H CYS 17 -4.594 -12.198 4.627
121 HA CYS 17 HA CYS 17 -5.291 -9.920 6.229
122 HB2 CYS 17 HB2 CYS 17 -7.063 -11.204 4.166
123 HB3 CYS 17 HB3 CYS 17 -7.024 -9.535 4.698
124 H SER 18 H SER 18 -6.481 -10.068 8.102
125 HA SER 18 HA SER 18 -7.799 -12.613 8.578
126 HB2 SER 18 HB2 SER 18 -7.721 -12.009 10.961
127 HB3 SER 18 HB3 SER 18 -6.121 -11.898 10.254
128 HG SER 18 HG SER 18 -6.487 -9.559 10.022
129 H GLY 19 H GLY 19 -9.992 -12.668 8.267
130 HA2 GLY 19 HA2 GLY 19 -12.163 -12.037 8.482
131 HA3 GLY 19 HA3 GLY 19 -11.665 -10.550 9.262
132 H GLU 20 H GLU 20 -9.686 -10.428 6.696
133 HA GLU 20 HA GLU 20 -11.679 -9.005 5.130
134 HB2 GLU 20 HB2 GLU 20 -8.675 -8.741 4.799
135 HB3 GLU 20 HB3 GLU 20 -9.922 -7.598 4.340
136 HG2 GLU 20 HG2 GLU 20 -10.483 -7.572 6.934
137 HG3 GLU 20 HG3 GLU 20 -8.869 -8.231 7.111
138 H THR 21 H THR 21 -11.411 -9.077 2.694
139 HA THR 21 HA THR 21 -10.095 -11.517 1.760
140 HB THR 21 HB THR 21 -12.301 -11.920 0.425
141 HG1 THR 21 HG1 THR 21 -13.219 -9.822 0.977
142 HG21 THR 21 HG21 THR 21 -13.505 -12.904 2.439
143 HG22 THR 21 HG22 THR 21 -11.806 -13.419 2.312
144 HG23 THR 21 HG23 THR 21 -12.269 -12.157 3.479
145 H ASN 22 H ASN 22 -9.884 -8.392 1.665
146 HA ASN 22 HA ASN 22 -9.510 -8.396 -1.218
147 HB2 ASN 22 HB2 ASN 22 -10.657 -6.099 0.456
148 HB3 ASN 22 HB3 ASN 22 -10.230 -5.968 -1.238
149 HD21 ASN 22 HD21 ASN 22 -12.352 -7.480 1.103
150 HD22 ASN 22 HD22 ASN 22 -13.625 -7.938 0.020
151 H CYS 23 H CYS 23 -7.775 -6.810 -1.892
152 HA CYS 23 HA CYS 23 -6.007 -6.183 0.361
153 HB2 CYS 23 HB2 CYS 23 -5.184 -6.829 -2.476
154 HB3 CYS 23 HB3 CYS 23 -4.117 -6.489 -1.128
155 H TYR 24 H TYR 24 -5.208 -4.049 0.453
156 HA TYR 24 HA TYR 24 -6.185 -2.268 -1.679
157 HB2 TYR 24 HB2 TYR 24 -6.575 -0.676 0.125
158 HB3 TYR 24 HB3 TYR 24 -7.164 -2.202 0.751
159 HD1 TYR 24 HD2 TYR 24 -4.380 0.234 0.901
160 HD2 TYR 24 HD1 TYR 24 -6.109 -3.277 2.630
161 HE1 TYR 24 HE2 TYR 24 -2.836 0.453 2.909
162 HE2 TYR 24 HE1 TYR 24 -4.558 -3.046 4.632
163 HH TYR 24 HH TYR 24 -2.787 -0.216 5.221
164 H LYS 25 H LYS 25 -4.834 -0.418 -2.209
165 HA LYS 25 HA LYS 25 -2.111 -0.552 -1.183
166 HB2 LYS 25 HB2 LYS 25 -1.885 -1.943 -3.086
167 HB3 LYS 25 HB3 LYS 25 -2.903 -0.915 -4.075
168 HG2 LYS 25 HG2 LYS 25 -1.176 0.933 -3.831
169 HG3 LYS 25 HG3 LYS 25 -0.144 -0.196 -2.977
170 HD2 LYS 25 HD2 LYS 25 0.005 -1.656 -4.932
171 HD3 LYS 25 HD3 LYS 25 -1.224 -0.738 -5.779
172 HE2 LYS 25 HE2 LYS 25 1.304 0.648 -4.831
173 HE3 LYS 25 HE3 LYS 25 1.332 -0.298 -6.306
174 HZ1 LYS 25 HZ1 LYS 25 -0.913 1.224 -6.489
175 HZ2 LYS 25 HZ2 LYS 25 0.197 2.240 -5.857
176 HZ3 LYS 25 HZ3 LYS 25 0.497 1.482 -7.272
177 H LYS 26 H LYS 26 -1.592 1.443 -0.485
178 HA LYS 26 HA LYS 26 -2.955 3.687 -1.800
179 HB2 LYS 26 HB2 LYS 26 -1.790 3.646 0.994
180 HB3 LYS 26 HB3 LYS 26 -2.803 4.882 0.276
181 HG2 LYS 26 HG2 LYS 26 -4.733 3.445 0.249
182 HG3 LYS 26 HG3 LYS 26 -3.769 2.008 0.528
183 HD2 LYS 26 HD2 LYS 26 -5.089 3.056 2.542
184 HD3 LYS 26 HD3 LYS 26 -3.454 2.484 2.811
185 HE2 LYS 26 HE2 LYS 26 -3.817 5.351 1.938
186 HE3 LYS 26 HE3 LYS 26 -4.235 4.939 3.590
187 HZ1 LYS 26 HZ1 LYS 26 -1.709 5.295 2.511
188 HZ2 LYS 26 HZ2 LYS 26 -2.101 4.943 4.057
189 HZ3 LYS 26 HZ3 LYS 26 -1.810 3.738 2.994
190 H TRP 27 H TRP 27 -1.738 5.486 -2.482
191 HA TRP 27 HA TRP 27 1.079 5.568 -1.970
192 HB2 TRP 27 HB2 TRP 27 1.882 5.241 -4.171
193 HB3 TRP 27 HB3 TRP 27 0.937 3.832 -3.733
194 HD1 TRP 27 HD1 TRP 27 1.010 6.676 -6.267
195 HE1 TRP 27 HE1 TRP 27 -0.844 6.388 -8.124
196 HE3 TRP 27 HE3 TRP 27 -1.443 2.861 -3.970
197 HZ2 TRP 27 HZ2 TRP 27 -3.077 4.636 -8.416
198 HZ3 TRP 27 HZ3 TRP 27 -3.451 1.918 -5.108
199 HH2 TRP 27 HH2 TRP 27 -4.275 2.745 -7.255
200 H TRP 28 H TRP 28 1.889 7.679 -2.438
201 HA TRP 28 HA TRP 28 0.323 9.509 -3.972
202 HB2 TRP 28 HB2 TRP 28 -0.260 11.045 -2.222
203 HB3 TRP 28 HB3 TRP 28 -1.010 9.489 -1.928
204 HD1 TRP 28 HD1 TRP 28 1.393 11.953 -0.330
205 HE1 TRP 28 HE1 TRP 28 2.154 11.181 2.076
206 HE3 TRP 28 HE3 TRP 28 -0.533 7.258 -0.654
207 HZ2 TRP 28 HZ2 TRP 28 1.872 8.748 3.541
208 HZ3 TRP 28 HZ3 TRP 28 -0.246 5.748 1.309
209 HH2 TRP 28 HH2 TRP 28 0.908 6.426 3.354
210 H SER 29 H SER 29 1.442 11.802 -3.711
211 HA SER 29 HA SER 29 4.288 11.230 -3.575
212 HB2 SER 29 HB2 SER 29 4.569 13.239 -4.987
213 HB3 SER 29 HB3 SER 29 3.470 12.096 -5.733
214 HG SER 29 HG SER 29 2.629 14.256 -5.850
215 H ASP 30 H ASP 30 5.729 12.836 -2.534
216 HA ASP 30 HA ASP 30 4.366 14.732 -0.837
217 HB2 ASP 30 HB2 ASP 30 6.333 12.626 0.179
218 HB3 ASP 30 HB3 ASP 30 5.767 13.984 1.131
219 H HIS 31 H HIS 31 6.160 16.161 0.311
220 HA HIS 31 HA HIS 31 7.935 17.039 -1.683
221 HB2 HIS 31 HB2 HIS 31 8.701 18.626 0.034
222 HB3 HIS 31 HB3 HIS 31 6.956 18.588 -0.122
223 HD1 HIS 31 HD1 HIS 31 5.574 17.623 1.881
224 HD2 HIS 31 HD2 HIS 31 9.721 17.706 2.510
225 HE1 HIS 31 HE1 HIS 31 5.927 17.215 4.375
226 HE2 HIS 31 HE2 HIS 31 8.495 17.223 4.691
227 H ARG 32 H ARG 32 8.065 14.399 0.466
228 HA ARG 32 HA ARG 32 10.959 14.518 0.562
229 HB2 ARG 32 HB2 ARG 32 8.841 13.026 2.129
230 HB3 ARG 32 HB3 ARG 32 10.451 12.339 2.047
231 HG2 ARG 32 HG2 ARG 32 11.380 14.564 2.849
232 HG3 ARG 32 HG3 ARG 32 9.735 15.135 3.048
233 HD2 ARG 32 HD2 ARG 32 10.333 14.354 5.217
234 HD3 ARG 32 HD3 ARG 32 9.356 13.056 4.560
235 HE ARG 32 HE ARG 32 12.174 12.688 3.937
236 HH11 ARG 32 HH22 ARG 32 9.765 12.277 6.469
237 HH12 ARG 32 HH21 ARG 32 10.631 11.005 7.264
238 HH21 ARG 32 HH12 ARG 32 13.317 11.010 4.985
239 HH22 ARG 32 HH11 ARG 32 12.666 10.280 6.414
240 H GLY 33 H GLY 33 8.182 12.839 -0.849
241 HA2 GLY 33 HA2 GLY 33 9.308 11.754 -3.009
242 HA3 GLY 33 HA3 GLY 33 9.762 10.584 -1.785
243 H THR 34 H THR 34 8.303 9.311 -3.461
244 HA THR 34 HA THR 34 5.468 9.712 -3.029
245 HB THR 34 HB THR 34 7.196 7.826 -4.701
246 HG1 THR 34 HG1 THR 34 6.935 9.875 -5.644
247 HG21 THR 34 HG21 THR 34 5.347 6.425 -4.648
248 HG22 THR 34 HG22 THR 34 4.281 7.702 -4.015
249 HG23 THR 34 HG23 THR 34 4.665 7.644 -5.752
250 H ILE 35 H ILE 35 4.467 9.019 -1.254
251 HA ILE 35 HA ILE 35 5.677 6.839 0.230
252 HB ILE 35 HB ILE 35 3.355 8.668 0.853
253 HG12 ILE 35 HG12 ILE 35 6.280 8.726 1.609
254 HG13 ILE 35 HG13 ILE 35 5.341 9.969 0.806
255 HG21 ILE 35 HG21 ILE 35 4.744 6.589 2.565
256 HG22 ILE 35 HG22 ILE 35 3.586 7.803 3.162
257 HG23 ILE 35 HG23 ILE 35 3.057 6.564 1.998
258 HD11 ILE 35 HD11 ILE 35 3.901 10.133 2.903
259 HD12 ILE 35 HD12 ILE 35 5.059 9.038 3.697
260 HD13 ILE 35 HD13 ILE 35 5.595 10.635 3.121
261 H ILE 36 H ILE 36 4.882 4.775 0.339
262 HA ILE 36 HA ILE 36 2.291 4.321 -0.959
263 HB ILE 36 HB ILE 36 4.671 2.504 -1.281
264 HG12 ILE 36 HG12 ILE 36 3.726 4.680 -3.171
265 HG13 ILE 36 HG13 ILE 36 5.225 4.683 -2.264
266 HG21 ILE 36 HG21 ILE 36 1.960 2.100 -1.718
267 HG22 ILE 36 HG22 ILE 36 2.604 2.478 -3.334
268 HG23 ILE 36 HG23 ILE 36 3.302 1.141 -2.388
269 HD11 ILE 36 HD11 ILE 36 5.697 3.912 -4.527
270 HD12 ILE 36 HD12 ILE 36 5.877 2.528 -3.422
271 HD13 ILE 36 HD13 ILE 36 4.413 2.684 -4.422
272 H GLU 37 H GLU 37 0.879 3.298 0.355
273 HA GLU 37 HA GLU 37 2.051 1.656 2.458
274 HB2 GLU 37 HB2 GLU 37 0.103 3.921 2.672
275 HB3 GLU 37 HB3 GLU 37 -0.223 2.523 3.677
276 HG2 GLU 37 HG2 GLU 37 2.549 3.774 3.581
277 HG3 GLU 37 HG3 GLU 37 1.308 4.407 4.645
278 H ARG 38 H ARG 38 1.437 -0.436 2.143
279 HA ARG 38 HA ARG 38 -1.224 -0.817 1.022
280 HB2 ARG 38 HB2 ARG 38 1.180 -2.685 0.723
281 HB3 ARG 38 HB3 ARG 38 -0.379 -2.878 -0.053
282 HG2 ARG 38 HG2 ARG 38 0.084 -0.476 -1.045
283 HG3 ARG 38 HG3 ARG 38 1.750 -0.785 -0.599
284 HD2 ARG 38 HD2 ARG 38 1.365 -3.096 -1.868
285 HD3 ARG 38 HD3 ARG 38 0.032 -2.246 -2.623
286 HE ARG 38 HE ARG 38 1.595 -1.125 -3.931
287 HH11 ARG 38 HH22 ARG 38 3.150 -2.069 -0.919
288 HH12 ARG 38 HH21 ARG 38 4.699 -1.443 -1.374
289 HH21 ARG 38 HH12 ARG 38 3.639 -0.299 -4.532
290 HH22 ARG 38 HH11 ARG 38 4.980 -0.430 -3.443
291 H GLY 39 H GLY 39 -2.250 -2.983 1.682
292 HA2 GLY 39 HA2 GLY 39 -1.242 -4.501 3.827
293 HA3 GLY 39 HA3 GLY 39 -2.293 -3.252 4.466
294 H CYS 40 H CYS 40 -3.392 -5.500 5.056
295 HA CYS 40 HA CYS 40 -4.884 -6.608 2.862
296 HB2 CYS 40 HB2 CYS 40 -4.579 -7.260 5.774
297 HB3 CYS 40 HB3 CYS 40 -5.931 -7.915 4.873
298 H GLY 41 H GLY 41 -7.270 -6.592 2.813
299 HA2 GLY 41 HA2 GLY 41 -9.349 -5.829 3.531
300 HA3 GLY 41 HA3 GLY 41 -8.578 -4.633 4.554
301 H CYS 42 H CYS 42 -10.260 -3.195 3.468
302 HA CYS 42 HA CYS 42 -8.989 -1.957 1.176
303 HB2 CYS 42 HB2 CYS 42 -10.541 -3.415 0.088
304 HB3 CYS 42 HB3 CYS 42 -11.838 -2.957 1.174
305 HA PRO 43 HA PRO 43 -10.420 0.820 4.618
306 HB2 PRO 43 HB2 PRO 43 -8.072 2.221 4.688
307 HB3 PRO 43 HB3 PRO 43 -8.284 0.650 5.548
308 HG2 PRO 43 HG2 PRO 43 -7.055 1.205 2.867
309 HG3 PRO 43 HG3 PRO 43 -6.431 0.197 4.225
310 HD2 PRO 43 HD2 PRO 43 -7.693 -0.872 2.107
311 HD3 PRO 43 HD3 PRO 43 -7.894 -1.523 3.777
312 H LYS 44 H LYS 44 -10.093 3.411 4.612
313 HA LYS 44 HA LYS 44 -10.535 4.246 1.830
314 HB2 LYS 44 HB2 LYS 44 -12.202 5.749 2.552
315 HB3 LYS 44 HB3 LYS 44 -12.551 4.234 3.361
316 HG2 LYS 44 HG2 LYS 44 -10.986 5.282 5.276
317 HG3 LYS 44 HG3 LYS 44 -11.445 6.794 4.518
318 HD2 LYS 44 HD2 LYS 44 -13.177 6.562 6.065
319 HD3 LYS 44 HD3 LYS 44 -13.907 5.806 4.663
320 HE2 LYS 44 HE2 LYS 44 -13.440 3.584 5.483
321 HE3 LYS 44 HE3 LYS 44 -12.328 4.181 6.698
322 HZ1 LYS 44 HZ1 LYS 44 -14.081 5.072 7.918
323 HZ2 LYS 44 HZ2 LYS 44 -15.155 4.948 6.694
324 HZ3 LYS 44 HZ3 LYS 44 -14.625 3.603 7.455
325 H VAL 45 H VAL 45 -9.489 6.104 1.088
326 HA VAL 45 HA VAL 45 -7.497 7.173 2.967
327 HB VAL 45 HB VAL 45 -6.069 7.546 1.061
328 HG11 VAL 45 HG11 VAL 45 -7.193 4.732 1.205
329 HG12 VAL 45 HG12 VAL 45 -5.692 5.165 0.352
330 HG13 VAL 45 HG13 VAL 45 -5.816 5.401 2.112
331 HG21 VAL 45 HG21 VAL 45 -6.843 6.416 -1.167
332 HG22 VAL 45 HG22 VAL 45 -8.479 6.661 -0.510
333 HG23 VAL 45 HG23 VAL 45 -7.405 8.057 -0.769
334 H LYS 46 H LYS 46 -6.849 9.496 2.457
335 HA LYS 46 HA LYS 46 -9.295 10.998 2.113
336 HB2 LYS 46 HB2 LYS 46 -6.579 12.165 2.697
337 HB3 LYS 46 HB3 LYS 46 -8.160 12.785 3.127
338 HG2 LYS 46 HG2 LYS 46 -8.490 10.789 4.643
339 HG3 LYS 46 HG3 LYS 46 -6.864 10.260 4.260
340 HD2 LYS 46 HD2 LYS 46 -6.615 11.462 6.298
341 HD3 LYS 46 HD3 LYS 46 -6.068 12.588 5.071
342 HE2 LYS 46 HE2 LYS 46 -8.364 13.634 5.046
343 HE3 LYS 46 HE3 LYS 46 -8.854 12.544 6.327
344 HZ1 LYS 46 HZ1 LYS 46 -7.888 14.881 6.843
345 HZ2 LYS 46 HZ2 LYS 46 -7.566 13.616 7.825
346 HZ3 LYS 46 HZ3 LYS 46 -6.451 14.111 6.739
347 HA PRO 47 HA PRO 47 -8.862 12.654 -1.871
348 HB2 PRO 47 HB2 PRO 47 -8.367 15.347 -0.654
349 HB3 PRO 47 HB3 PRO 47 -9.614 14.834 -1.851
350 HG2 PRO 47 HG2 PRO 47 -10.270 15.258 0.676
351 HG3 PRO 47 HG3 PRO 47 -10.920 13.830 -0.213
352 HD2 PRO 47 HD2 PRO 47 -8.659 13.994 1.757
353 HD3 PRO 47 HD3 PRO 47 -9.990 12.784 1.635
354 H GLY 48 H GLY 48 -7.116 12.734 -3.341
355 HA2 GLY 48 HA2 GLY 48 -5.110 13.710 -4.106
356 HA3 GLY 48 HA3 GLY 48 -4.623 14.022 -2.451
357 H VAL 49 H VAL 49 -5.406 11.370 -1.389
358 HA VAL 49 HA VAL 49 -3.033 9.966 -2.209
359 HB VAL 49 HB VAL 49 -5.113 8.981 -0.276
360 HG11 VAL 49 HG11 VAL 49 -2.092 8.723 -0.439
361 HG12 VAL 49 HG12 VAL 49 -3.098 8.090 0.886
362 HG13 VAL 49 HG13 VAL 49 -3.296 7.454 -0.765
363 HG21 VAL 49 HG21 VAL 49 -3.276 10.352 1.281
364 HG22 VAL 49 HG22 VAL 49 -3.563 11.460 -0.082
365 HG23 VAL 49 HG23 VAL 49 -4.932 10.883 0.899
366 H ASN 50 H ASN 50 -2.963 7.860 -3.145
367 HA ASN 50 HA ASN 50 -5.346 7.326 -4.699
368 HB2 ASN 50 HB2 ASN 50 -2.416 6.528 -4.940
369 HB3 ASN 50 HB3 ASN 50 -3.639 5.655 -5.841
370 HD21 ASN 50 HD21 ASN 50 -1.777 8.510 -5.553
371 HD22 ASN 50 HD22 ASN 50 -2.351 9.360 -6.948
372 H LEU 51 H LEU 51 -6.324 5.183 -4.668
373 HA LEU 51 HA LEU 51 -5.171 3.229 -2.858
374 HB2 LEU 51 HB2 LEU 51 -6.495 4.461 -1.329
375 HB3 LEU 51 HB3 LEU 51 -7.844 4.552 -2.442
376 HG LEU 51 HG LEU 51 -8.269 2.164 -2.199
377 HD11 LEU 51 HD11 LEU 51 -6.784 1.300 -0.028
378 HD12 LEU 51 HD12 LEU 51 -6.540 0.838 -1.730
379 HD13 LEU 51 HD13 LEU 51 -5.596 2.173 -1.027
380 HD21 LEU 51 HD21 LEU 51 -8.228 2.543 0.618
381 HD22 LEU 51 HD22 LEU 51 -8.535 4.124 -0.140
382 HD23 LEU 51 HD23 LEU 51 -9.587 2.738 -0.514
383 H ASN 52 H ASN 52 -5.643 1.111 -3.460
384 HA ASN 52 HA ASN 52 -7.581 0.830 -5.600
385 HB2 ASN 52 HB2 ASN 52 -5.621 0.814 -6.926
386 HB3 ASN 52 HB3 ASN 52 -4.640 0.114 -5.654
387 HD21 ASN 52 HD21 ASN 52 -7.236 -0.524 -7.955
388 HD22 ASN 52 HD22 ASN 52 -6.976 -2.226 -8.137
389 H CYS 53 H CYS 53 -8.969 -0.853 -5.026
390 HA CYS 53 HA CYS 53 -7.922 -2.805 -3.109
391 HB2 CYS 53 HB2 CYS 53 -10.792 -1.965 -3.569
392 HB3 CYS 53 HB3 CYS 53 -10.242 -3.157 -2.408
393 H CYS 54 H CYS 54 -8.363 -5.059 -3.538
394 HA CYS 54 HA CYS 54 -9.792 -5.713 -5.946
395 HB2 CYS 54 HB2 CYS 54 -7.750 -7.157 -6.668
396 HB3 CYS 54 HB3 CYS 54 -7.870 -5.475 -7.146
397 H ARG 55 H ARG 55 -9.931 -8.205 -6.114
398 HA ARG 55 HA ARG 55 -9.816 -9.263 -3.406
399 HB2 ARG 55 HB2 ARG 55 -11.643 -10.003 -5.747
400 HB3 ARG 55 HB3 ARG 55 -11.627 -10.860 -4.218
401 HG2 ARG 55 HG2 ARG 55 -12.627 -9.105 -3.051
402 HG3 ARG 55 HG3 ARG 55 -11.941 -7.872 -4.091
403 HD2 ARG 55 HD2 ARG 55 -13.503 -8.874 -5.955
404 HD3 ARG 55 HD3 ARG 55 -14.345 -9.654 -4.631
405 HE ARG 55 HE ARG 55 -14.122 -6.989 -3.827
406 HH11 ARG 55 HH22 ARG 55 -15.487 -8.657 -6.608
407 HH12 ARG 55 HH21 ARG 55 -16.705 -7.458 -6.891
408 HH21 ARG 55 HH12 ARG 55 -15.729 -5.407 -4.200
409 HH22 ARG 55 HH11 ARG 55 -16.843 -5.597 -5.512
410 H THR 56 H THR 56 -7.432 -9.343 -4.823
411 HA THR 56 HA THR 56 -7.237 -12.197 -5.486
412 HB THR 56 HB THR 56 -5.479 -11.246 -7.252
413 HG1 THR 56 HG1 THR 56 -7.113 -9.147 -7.797
414 HG21 THR 56 HG21 THR 56 -8.506 -10.959 -7.638
415 HG22 THR 56 HG22 THR 56 -7.310 -10.932 -8.956
416 HG23 THR 56 HG23 THR 56 -7.542 -12.412 -7.995
417 H ASP 57 H ASP 57 -5.337 -13.229 -4.856
418 HA ASP 57 HA ASP 57 -4.175 -12.204 -2.584
419 HB2 ASP 57 HB2 ASP 57 -3.089 -14.298 -4.527
420 HB3 ASP 57 HB3 ASP 57 -2.502 -14.060 -2.893
421 H ARG 58 H ARG 58 -2.141 -11.127 -2.228
422 HA ARG 58 HA ARG 58 -0.667 -9.597 -2.730
423 HB2 ARG 58 HB2 ARG 58 0.329 -11.462 -4.920
424 HB3 ARG 58 HB3 ARG 58 1.281 -10.458 -3.845
425 HG2 ARG 58 HG2 ARG 58 0.213 -11.921 -1.923
426 HG3 ARG 58 HG3 ARG 58 -0.174 -13.045 -3.210
427 HD2 ARG 58 HD2 ARG 58 2.127 -13.412 -3.752
428 HD3 ARG 58 HD3 ARG 58 2.650 -11.957 -2.928
429 HE ARG 58 HE ARG 58 1.508 -13.439 -0.891
430 HH11 ARG 58 HH22 ARG 58 3.975 -14.127 -3.304
431 HH12 ARG 58 HH21 ARG 58 4.816 -15.265 -2.305
432 HH21 ARG 58 HH12 ARG 58 2.617 -14.940 0.428
433 HH22 ARG 58 HH11 ARG 58 4.038 -15.731 -0.168
434 H CYS 59 H CYS 59 -3.125 -9.122 -4.142
435 HA CYS 59 HA CYS 59 -2.404 -8.491 -6.858
436 HB2 CYS 59 HB2 CYS 59 -4.681 -7.907 -7.177
437 HB3 CYS 59 HB3 CYS 59 -4.630 -9.405 -6.269
438 H ASN 60 H ASN 60 -2.494 -7.046 -3.658
439 HA ASN 60 HA ASN 60 -2.470 -4.383 -4.766
440 HB2 ASN 60 HB2 ASN 60 -2.626 -3.632 -2.432
441 HB3 ASN 60 HB3 ASN 60 -3.794 -4.916 -2.676
442 HD21 ASN 60 HD21 ASN 60 -2.097 -3.825 -0.368
443 HD22 ASN 60 HD22 ASN 60 -1.430 -5.229 0.395
444 H ASN 61 H ASN 61 -0.253 -5.763 -5.666
445 HA ASN 61 HA ASN 61 1.894 -5.825 -3.912
446 HB2 ASN 61 HB2 ASN 61 2.184 -5.323 -6.902
447 HB3 ASN 61 HB3 ASN 61 3.228 -6.273 -5.862
448 HD21 ASN 61 HD21 ASN 61 2.918 -8.378 -5.674
449 HD22 ASN 61 HD22 ASN 61 1.572 -9.280 -6.287
Start of MODEL 5
1 H1 LEU 1 H1 LEU 1 -7.178 -15.516 1.962
2 H2 LEU 1 H2 LEU 1 -6.113 -14.856 3.046
3 H3 LEU 1 H3 LEU 1 -5.613 -16.054 2.018
4 HA LEU 1 HA LEU 1 -5.509 -14.770 0.235
5 HB2 LEU 1 HB2 LEU 1 -7.758 -14.025 0.219
6 HB3 LEU 1 HB3 LEU 1 -7.528 -13.043 1.653
7 HG LEU 1 HG LEU 1 -5.799 -11.741 0.178
8 HD11 LEU 1 HD11 LEU 1 -7.457 -13.165 -1.916
9 HD12 LEU 1 HD12 LEU 1 -6.512 -11.688 -2.226
10 HD13 LEU 1 HD13 LEU 1 -5.688 -13.183 -1.719
11 HD21 LEU 1 HD21 LEU 1 -8.799 -11.563 0.119
12 HD22 LEU 1 HD22 LEU 1 -7.613 -10.528 0.950
13 HD23 LEU 1 HD23 LEU 1 -7.804 -10.420 -0.816
14 H GLU 2 H GLU 2 -3.700 -13.525 -0.153
15 HA GLU 2 HA GLU 2 -2.581 -12.295 2.241
16 HB2 GLU 2 HB2 GLU 2 -0.974 -13.108 -0.201
17 HB3 GLU 2 HB3 GLU 2 -0.397 -12.817 1.428
18 HG2 GLU 2 HG2 GLU 2 -1.832 -14.817 2.175
19 HG3 GLU 2 HG3 GLU 2 -2.106 -15.159 0.478
20 H CYS 3 H CYS 3 -1.615 -10.186 2.082
21 HA CYS 3 HA CYS 3 -2.034 -8.838 -0.469
22 HB2 CYS 3 HB2 CYS 3 -2.837 -7.557 2.141
23 HB3 CYS 3 HB3 CYS 3 -3.102 -6.960 0.516
24 H HIS 4 H HIS 4 -0.358 -7.364 -0.936
25 HA HIS 4 HA HIS 4 2.015 -7.659 0.501
26 HB2 HIS 4 HB2 HIS 4 1.065 -5.912 -1.741
27 HB3 HIS 4 HB3 HIS 4 2.587 -5.529 -0.963
28 HD1 HIS 4 HD1 HIS 4 4.575 -7.201 -1.284
29 HD2 HIS 4 HD2 HIS 4 1.059 -8.271 -3.306
30 HE1 HIS 4 HE1 HIS 4 5.227 -9.041 -2.927
31 HE2 HIS 4 HE2 HIS 4 3.016 -9.696 -4.101
32 H ASN 5 H ASN 5 3.063 -6.367 2.031
33 HA ASN 5 HA ASN 5 1.406 -4.197 3.057
34 HB2 ASN 5 HB2 ASN 5 2.047 -4.778 5.293
35 HB3 ASN 5 HB3 ASN 5 1.716 -6.320 4.530
36 HD21 ASN 5 HD21 ASN 5 3.128 -7.826 4.932
37 HD22 ASN 5 HD22 ASN 5 4.825 -7.636 5.219
38 H GLN 6 H GLN 6 3.937 -4.690 1.127
39 HA GLN 6 HA GLN 6 6.080 -3.460 2.433
40 HB2 GLN 6 HB2 GLN 6 6.808 -3.086 -0.078
41 HB3 GLN 6 HB3 GLN 6 6.746 -4.707 0.582
42 HG2 GLN 6 HG2 GLN 6 4.835 -5.287 -0.622
43 HG3 GLN 6 HG3 GLN 6 4.209 -3.650 -0.635
44 HE21 GLN 6 HE21 GLN 6 5.282 -5.976 -2.559
45 HE22 GLN 6 HE22 GLN 6 6.010 -5.088 -3.855
46 H GLN 7 H GLN 7 6.836 -1.295 2.402
47 HA GLN 7 HA GLN 7 4.790 0.592 1.547
48 HB2 GLN 7 HB2 GLN 7 5.088 0.997 3.824
49 HB3 GLN 7 HB3 GLN 7 6.783 0.553 3.798
50 HG2 GLN 7 HG2 GLN 7 7.309 2.652 2.531
51 HG3 GLN 7 HG3 GLN 7 5.614 3.097 2.572
52 HE21 GLN 7 HE21 GLN 7 6.680 5.010 3.585
53 HE22 GLN 7 HE22 GLN 7 6.856 5.035 5.308
54 H SER 8 H SER 8 5.600 2.728 0.667
55 HA SER 8 HA SER 8 6.556 3.590 -1.133
56 HB2 SER 8 HB2 SER 8 9.115 3.133 0.452
57 HB3 SER 8 HB3 SER 8 8.769 4.457 -0.642
58 HG SER 8 HG SER 8 8.413 5.296 1.395
59 H SER 9 H SER 9 9.720 2.845 -1.352
60 HA SER 9 HA SER 9 9.186 0.842 -3.357
61 HB2 SER 9 HB2 SER 9 11.801 2.281 -2.734
62 HB3 SER 9 HB3 SER 9 11.443 1.349 -4.174
63 HG SER 9 HG SER 9 9.498 3.241 -3.872
64 H GLN 10 H GLN 10 9.803 0.856 -0.092
65 HA GLN 10 HA GLN 10 11.939 -0.667 0.413
66 HB2 GLN 10 HB2 GLN 10 9.244 -1.201 1.720
67 HB3 GLN 10 HB3 GLN 10 10.832 -1.366 2.443
68 HG2 GLN 10 HG2 GLN 10 9.229 1.115 1.920
69 HG3 GLN 10 HG3 GLN 10 10.244 0.716 3.292
70 HE21 GLN 10 HE21 GLN 10 12.557 0.752 3.024
71 HE22 GLN 10 HE22 GLN 10 13.297 1.851 1.909
72 HA PRO 11 HA PRO 11 11.707 -4.783 -1.009
73 HB2 PRO 11 HB2 PRO 11 11.434 -5.707 1.828
74 HB3 PRO 11 HB3 PRO 11 12.646 -6.170 0.575
75 HG2 PRO 11 HG2 PRO 11 13.306 -4.531 2.544
76 HG3 PRO 11 HG3 PRO 11 13.839 -4.196 0.854
77 HD2 PRO 11 HD2 PRO 11 11.577 -2.994 2.423
78 HD3 PRO 11 HD3 PRO 11 12.799 -2.189 1.369
79 HA PRO 12 HA PRO 12 7.308 -5.520 -1.273
80 HB2 PRO 12 HB2 PRO 12 8.363 -8.033 -2.517
81 HB3 PRO 12 HB3 PRO 12 7.156 -6.852 -3.150
82 HG2 PRO 12 HG2 PRO 12 9.624 -6.893 -4.102
83 HG3 PRO 12 HG3 PRO 12 8.807 -5.327 -3.739
84 HD2 PRO 12 HD2 PRO 12 10.845 -6.840 -2.135
85 HD3 PRO 12 HD3 PRO 12 10.753 -5.077 -2.505
86 H THR 13 H THR 13 6.024 -6.404 0.377
87 HA THR 13 HA THR 13 6.844 -9.001 1.475
88 HB THR 13 HB THR 13 6.047 -7.894 3.738
89 HG1 THR 13 HG1 THR 13 6.575 -5.513 3.513
90 HG21 THR 13 HG21 THR 13 8.640 -7.046 2.344
91 HG22 THR 13 HG22 THR 13 8.305 -6.777 4.071
92 HG23 THR 13 HG23 THR 13 8.432 -8.435 3.436
93 H THR 14 H THR 14 4.944 -9.801 3.008
94 HA THR 14 HA THR 14 2.361 -9.033 1.911
95 HB THR 14 HB THR 14 1.996 -11.624 1.557
96 HG1 THR 14 HG1 THR 14 4.001 -12.353 2.402
97 HG21 THR 14 HG21 THR 14 2.058 -10.174 -0.419
98 HG22 THR 14 HG22 THR 14 3.817 -9.957 -0.255
99 HG23 THR 14 HG23 THR 14 3.156 -11.543 -0.718
100 H LYS 15 H LYS 15 0.544 -9.894 3.159
101 HA LYS 15 HA LYS 15 1.256 -11.056 5.713
102 HB2 LYS 15 HB2 LYS 15 1.556 -8.740 6.246
103 HB3 LYS 15 HB3 LYS 15 0.067 -8.286 5.443
104 HG2 LYS 15 HG2 LYS 15 -0.535 -8.342 7.738
105 HG3 LYS 15 HG3 LYS 15 -1.136 -9.867 7.118
106 HD2 LYS 15 HD2 LYS 15 0.513 -11.129 8.200
107 HD3 LYS 15 HD3 LYS 15 1.681 -9.823 8.183
108 HE2 LYS 15 HE2 LYS 15 0.252 -8.597 9.891
109 HE3 LYS 15 HE3 LYS 15 -0.791 -10.004 9.970
110 HZ1 LYS 15 HZ1 LYS 15 1.202 -9.743 11.571
111 HZ2 LYS 15 HZ2 LYS 15 0.813 -11.218 10.988
112 HZ3 LYS 15 HZ3 LYS 15 2.063 -10.388 10.343
113 H THR 16 H THR 16 -0.548 -12.074 6.756
114 HA THR 16 HA THR 16 -2.566 -12.876 4.871
115 HB THR 16 HB THR 16 -2.425 -13.584 7.829
116 HG1 THR 16 HG1 THR 16 -0.377 -14.247 7.307
117 HG21 THR 16 HG21 THR 16 -4.114 -14.919 6.915
118 HG22 THR 16 HG22 THR 16 -3.436 -14.823 5.272
119 HG23 THR 16 HG23 THR 16 -2.706 -15.914 6.474
120 H CYS 17 H CYS 17 -4.588 -12.134 4.622
121 HA CYS 17 HA CYS 17 -5.328 -9.858 6.197
122 HB2 CYS 17 HB2 CYS 17 -7.080 -11.190 4.149
123 HB3 CYS 17 HB3 CYS 17 -7.053 -9.511 4.652
124 H SER 18 H SER 18 -6.525 -9.989 8.067
125 HA SER 18 HA SER 18 -7.816 -12.540 8.578
126 HB2 SER 18 HB2 SER 18 -7.438 -10.368 10.652
127 HB3 SER 18 HB3 SER 18 -7.574 -12.098 10.893
128 HG SER 18 HG SER 18 -5.380 -11.406 11.157
129 H GLY 19 H GLY 19 -10.006 -12.629 8.253
130 HA2 GLY 19 HA2 GLY 19 -12.186 -12.024 8.422
131 HA3 GLY 19 HA3 GLY 19 -11.719 -10.532 9.213
132 H GLU 20 H GLU 20 -9.708 -10.386 6.668
133 HA GLU 20 HA GLU 20 -11.700 -8.984 5.080
134 HB2 GLU 20 HB2 GLU 20 -8.692 -8.677 4.806
135 HB3 GLU 20 HB3 GLU 20 -9.945 -7.556 4.309
136 HG2 GLU 20 HG2 GLU 20 -10.475 -6.978 6.600
137 HG3 GLU 20 HG3 GLU 20 -9.537 -8.317 7.231
138 H THR 21 H THR 21 -11.466 -9.080 2.664
139 HA THR 21 HA THR 21 -10.080 -11.489 1.738
140 HB THR 21 HB THR 21 -12.274 -11.900 0.371
141 HG1 THR 21 HG1 THR 21 -13.967 -10.607 1.055
142 HG21 THR 21 HG21 THR 21 -13.464 -12.947 2.355
143 HG22 THR 21 HG22 THR 21 -11.751 -13.419 2.240
144 HG23 THR 21 HG23 THR 21 -12.257 -12.187 3.421
145 H ASN 22 H ASN 22 -9.891 -8.367 1.646
146 HA ASN 22 HA ASN 22 -9.504 -8.360 -1.235
147 HB2 ASN 22 HB2 ASN 22 -10.658 -6.073 0.448
148 HB3 ASN 22 HB3 ASN 22 -10.224 -5.931 -1.244
149 HD21 ASN 22 HD21 ASN 22 -12.352 -7.468 1.078
150 HD22 ASN 22 HD22 ASN 22 -13.620 -7.917 -0.012
151 H CYS 23 H CYS 23 -7.769 -6.769 -1.897
152 HA CYS 23 HA CYS 23 -6.008 -6.148 0.363
153 HB2 CYS 23 HB2 CYS 23 -5.170 -6.788 -2.472
154 HB3 CYS 23 HB3 CYS 23 -4.112 -6.457 -1.115
155 H TYR 24 H TYR 24 -5.230 -4.011 0.471
156 HA TYR 24 HA TYR 24 -6.205 -2.228 -1.659
157 HB2 TYR 24 HB2 TYR 24 -6.620 -0.658 0.140
158 HB3 TYR 24 HB3 TYR 24 -7.121 -2.194 0.820
159 HD1 TYR 24 HD2 TYR 24 -4.522 0.420 0.870
160 HD2 TYR 24 HD1 TYR 24 -5.864 -3.249 2.615
161 HE1 TYR 24 HE2 TYR 24 -2.911 0.745 2.810
162 HE2 TYR 24 HE1 TYR 24 -4.248 -2.911 4.549
163 HH TYR 24 HH TYR 24 -3.167 -0.779 5.639
164 H LYS 25 H LYS 25 -4.848 -0.429 -2.262
165 HA LYS 25 HA LYS 25 -2.102 -0.595 -1.274
166 HB2 LYS 25 HB2 LYS 25 -2.014 -1.927 -3.254
167 HB3 LYS 25 HB3 LYS 25 -2.971 -0.777 -4.166
168 HG2 LYS 25 HG2 LYS 25 -1.150 0.930 -3.911
169 HG3 LYS 25 HG3 LYS 25 -0.191 -0.234 -3.018
170 HD2 LYS 25 HD2 LYS 25 0.455 -0.104 -5.440
171 HD3 LYS 25 HD3 LYS 25 -0.044 -1.714 -4.959
172 HE2 LYS 25 HE2 LYS 25 -2.134 0.172 -6.063
173 HE3 LYS 25 HE3 LYS 25 -1.012 -0.577 -7.181
174 HZ1 LYS 25 HZ1 LYS 25 -2.077 -2.423 -5.305
175 HZ2 LYS 25 HZ2 LYS 25 -3.242 -1.717 -6.207
176 HZ3 LYS 25 HZ3 LYS 25 -2.018 -2.516 -6.935
177 H LYS 26 H LYS 26 -1.575 1.362 -0.480
178 HA LYS 26 HA LYS 26 -2.927 3.675 -1.679
179 HB2 LYS 26 HB2 LYS 26 -3.350 3.091 0.766
180 HB3 LYS 26 HB3 LYS 26 -1.683 3.531 1.075
181 HG2 LYS 26 HG2 LYS 26 -2.280 5.762 -0.202
182 HG3 LYS 26 HG3 LYS 26 -3.945 5.301 0.092
183 HD2 LYS 26 HD2 LYS 26 -1.834 6.157 2.045
184 HD3 LYS 26 HD3 LYS 26 -3.545 6.535 2.022
185 HE2 LYS 26 HE2 LYS 26 -2.253 3.918 2.911
186 HE3 LYS 26 HE3 LYS 26 -3.130 5.057 3.913
187 HZ1 LYS 26 HZ1 LYS 26 -4.194 2.932 2.647
188 HZ2 LYS 26 HZ2 LYS 26 -5.041 4.175 3.283
189 HZ3 LYS 26 HZ3 LYS 26 -4.659 4.174 1.695
190 H TRP 27 H TRP 27 -1.710 5.457 -2.368
191 HA TRP 27 HA TRP 27 1.108 5.537 -1.890
192 HB2 TRP 27 HB2 TRP 27 1.906 5.196 -4.084
193 HB3 TRP 27 HB3 TRP 27 0.938 3.798 -3.660
194 HD1 TRP 27 HD1 TRP 27 1.059 6.666 -6.168
195 HE1 TRP 27 HE1 TRP 27 -0.790 6.419 -8.035
196 HE3 TRP 27 HE3 TRP 27 -1.450 2.858 -3.918
197 HZ2 TRP 27 HZ2 TRP 27 -3.044 4.697 -8.354
198 HZ3 TRP 27 HZ3 TRP 27 -3.465 1.952 -5.074
199 HH2 TRP 27 HH2 TRP 27 -4.270 2.810 -7.216
200 H TRP 28 H TRP 28 1.896 7.655 -2.327
201 HA TRP 28 HA TRP 28 0.305 9.480 -3.854
202 HB2 TRP 28 HB2 TRP 28 -0.237 11.016 -2.089
203 HB3 TRP 28 HB3 TRP 28 -0.984 9.461 -1.783
204 HD1 TRP 28 HD1 TRP 28 1.392 11.941 -0.200
205 HE1 TRP 28 HE1 TRP 28 2.226 11.154 2.177
206 HE3 TRP 28 HE3 TRP 28 -0.394 7.194 -0.565
207 HZ2 TRP 28 HZ2 TRP 28 2.049 8.690 3.605
208 HZ3 TRP 28 HZ3 TRP 28 -0.021 5.661 1.365
209 HH2 TRP 28 HH2 TRP 28 1.153 6.341 3.398
210 H SER 29 H SER 29 1.427 11.775 -3.616
211 HA SER 29 HA SER 29 4.277 11.206 -3.527
212 HB2 SER 29 HB2 SER 29 4.558 13.122 -5.013
213 HB3 SER 29 HB3 SER 29 3.340 12.054 -5.680
214 HG SER 29 HG SER 29 1.727 13.489 -5.193
215 H ASP 30 H ASP 30 5.728 12.837 -2.535
216 HA ASP 30 HA ASP 30 4.386 14.754 -0.847
217 HB2 ASP 30 HB2 ASP 30 4.815 12.499 0.390
218 HB3 ASP 30 HB3 ASP 30 6.518 12.902 0.292
219 H HIS 31 H HIS 31 6.194 16.200 0.258
220 HA HIS 31 HA HIS 31 7.950 17.039 -1.771
221 HB2 HIS 31 HB2 HIS 31 8.057 17.822 1.147
222 HB3 HIS 31 HB3 HIS 31 8.621 18.743 -0.233
223 HD1 HIS 31 HD1 HIS 31 5.493 17.422 -1.324
224 HD2 HIS 31 HD2 HIS 31 6.607 20.513 1.284
225 HE1 HIS 31 HE1 HIS 31 3.462 18.953 -1.121
226 HE2 HIS 31 HE2 HIS 31 4.188 20.802 0.536
227 H ARG 32 H ARG 32 8.095 14.435 0.411
228 HA ARG 32 HA ARG 32 10.989 14.563 0.505
229 HB2 ARG 32 HB2 ARG 32 9.597 14.110 2.616
230 HB3 ARG 32 HB3 ARG 32 9.141 12.573 1.909
231 HG2 ARG 32 HG2 ARG 32 11.558 11.932 1.751
232 HG3 ARG 32 HG3 ARG 32 12.010 13.467 2.465
233 HD2 ARG 32 HD2 ARG 32 12.008 12.006 4.328
234 HD3 ARG 32 HD3 ARG 32 10.444 12.787 4.452
235 HE ARG 32 HE ARG 32 10.283 10.381 2.835
236 HH11 ARG 32 HH22 ARG 32 10.423 11.527 6.159
237 HH12 ARG 32 HH21 ARG 32 9.618 10.137 6.807
238 HH21 ARG 32 HH12 ARG 32 9.221 8.547 3.689
239 HH22 ARG 32 HH11 ARG 32 8.930 8.431 5.393
240 H GLY 33 H GLY 33 8.216 12.859 -0.886
241 HA2 GLY 33 HA2 GLY 33 9.346 11.753 -3.034
242 HA3 GLY 33 HA3 GLY 33 9.801 10.599 -1.797
243 H THR 34 H THR 34 8.347 9.302 -3.456
244 HA THR 34 HA THR 34 5.509 9.699 -3.006
245 HB THR 34 HB THR 34 7.245 7.882 -4.737
246 HG1 THR 34 HG1 THR 34 6.278 10.336 -4.912
247 HG21 THR 34 HG21 THR 34 5.486 6.395 -4.757
248 HG22 THR 34 HG22 THR 34 4.414 7.530 -3.902
249 HG23 THR 34 HG23 THR 34 4.625 7.662 -5.664
250 H ILE 35 H ILE 35 4.543 8.990 -1.218
251 HA ILE 35 HA ILE 35 5.773 6.785 0.213
252 HB ILE 35 HB ILE 35 3.458 8.591 0.923
253 HG12 ILE 35 HG12 ILE 35 6.408 8.710 1.574
254 HG13 ILE 35 HG13 ILE 35 5.421 9.929 0.792
255 HG21 ILE 35 HG21 ILE 35 3.299 6.435 2.051
256 HG22 ILE 35 HG22 ILE 35 4.981 6.589 2.614
257 HG23 ILE 35 HG23 ILE 35 3.739 7.722 3.199
258 HD11 ILE 35 HD11 ILE 35 5.771 10.582 3.118
259 HD12 ILE 35 HD12 ILE 35 4.061 10.136 2.911
260 HD13 ILE 35 HD13 ILE 35 5.189 9.000 3.690
261 H ILE 36 H ILE 36 4.965 4.726 0.313
262 HA ILE 36 HA ILE 36 2.349 4.307 -0.947
263 HB ILE 36 HB ILE 36 4.713 2.475 -1.311
264 HG12 ILE 36 HG12 ILE 36 3.743 4.662 -3.174
265 HG13 ILE 36 HG13 ILE 36 5.262 4.650 -2.300
266 HG21 ILE 36 HG21 ILE 36 3.327 1.123 -2.412
267 HG22 ILE 36 HG22 ILE 36 2.001 2.067 -1.692
268 HG23 ILE 36 HG23 ILE 36 2.599 2.469 -3.320
269 HD11 ILE 36 HD11 ILE 36 5.873 2.496 -3.481
270 HD12 ILE 36 HD12 ILE 36 4.389 2.668 -4.449
271 HD13 ILE 36 HD13 ILE 36 5.680 3.886 -4.576
272 H GLU 37 H GLU 37 0.942 3.271 0.364
273 HA GLU 37 HA GLU 37 2.122 1.608 2.446
274 HB2 GLU 37 HB2 GLU 37 1.142 3.994 3.108
275 HB3 GLU 37 HB3 GLU 37 -0.403 3.176 2.988
276 HG2 GLU 37 HG2 GLU 37 1.799 1.827 4.554
277 HG3 GLU 37 HG3 GLU 37 0.996 3.204 5.281
278 H ARG 38 H ARG 38 1.479 -0.473 2.118
279 HA ARG 38 HA ARG 38 -1.199 -0.811 1.024
280 HB2 ARG 38 HB2 ARG 38 1.177 -2.711 0.697
281 HB3 ARG 38 HB3 ARG 38 -0.391 -2.881 -0.065
282 HG2 ARG 38 HG2 ARG 38 0.084 -0.491 -1.064
283 HG3 ARG 38 HG3 ARG 38 1.751 -0.801 -0.618
284 HD2 ARG 38 HD2 ARG 38 1.369 -3.112 -1.884
285 HD3 ARG 38 HD3 ARG 38 0.030 -2.268 -2.636
286 HE ARG 38 HE ARG 38 1.584 -1.139 -3.949
287 HH11 ARG 38 HH22 ARG 38 3.156 -2.090 -0.949
288 HH12 ARG 38 HH21 ARG 38 4.704 -1.465 -1.412
289 HH21 ARG 38 HH12 ARG 38 3.625 -0.313 -4.561
290 HH22 ARG 38 HH11 ARG 38 4.972 -0.447 -3.481
291 H GLY 39 H GLY 39 -2.250 -2.965 1.684
292 HA2 GLY 39 HA2 GLY 39 -1.242 -4.497 3.823
293 HA3 GLY 39 HA3 GLY 39 -2.289 -3.245 4.463
294 H CYS 40 H CYS 40 -3.369 -5.521 5.037
295 HA CYS 40 HA CYS 40 -4.875 -6.607 2.845
296 HB2 CYS 40 HB2 CYS 40 -4.555 -7.277 5.750
297 HB3 CYS 40 HB3 CYS 40 -5.919 -7.920 4.857
298 H GLY 41 H GLY 41 -7.262 -6.592 2.802
299 HA2 GLY 41 HA2 GLY 41 -9.339 -5.831 3.527
300 HA3 GLY 41 HA3 GLY 41 -8.566 -4.643 4.557
301 H CYS 42 H CYS 42 -10.262 -3.209 3.475
302 HA CYS 42 HA CYS 42 -8.984 -1.935 1.208
303 HB2 CYS 42 HB2 CYS 42 -10.501 -3.404 0.085
304 HB3 CYS 42 HB3 CYS 42 -11.819 -2.974 1.157
305 HA PRO 43 HA PRO 43 -10.494 0.790 4.656
306 HB2 PRO 43 HB2 PRO 43 -8.172 2.233 4.754
307 HB3 PRO 43 HB3 PRO 43 -8.361 0.651 5.600
308 HG2 PRO 43 HG2 PRO 43 -7.124 1.251 2.932
309 HG3 PRO 43 HG3 PRO 43 -6.491 0.242 4.287
310 HD2 PRO 43 HD2 PRO 43 -7.719 -0.832 2.151
311 HD3 PRO 43 HD3 PRO 43 -7.919 -1.499 3.814
312 H LYS 44 H LYS 44 -10.293 3.367 4.678
313 HA LYS 44 HA LYS 44 -10.739 4.215 1.902
314 HB2 LYS 44 HB2 LYS 44 -12.384 5.730 2.675
315 HB3 LYS 44 HB3 LYS 44 -12.726 4.198 3.451
316 HG2 LYS 44 HG2 LYS 44 -11.758 4.930 5.547
317 HG3 LYS 44 HG3 LYS 44 -11.031 6.340 4.802
318 HD2 LYS 44 HD2 LYS 44 -12.930 7.279 5.810
319 HD3 LYS 44 HD3 LYS 44 -13.510 6.998 4.181
320 HE2 LYS 44 HE2 LYS 44 -13.844 4.836 6.283
321 HE3 LYS 44 HE3 LYS 44 -14.955 6.190 6.250
322 HZ1 LYS 44 HZ1 LYS 44 -14.563 4.113 4.266
323 HZ2 LYS 44 HZ2 LYS 44 -15.952 4.760 4.829
324 HZ3 LYS 44 HZ3 LYS 44 -15.048 5.582 3.745
325 H VAL 45 H VAL 45 -9.694 6.053 1.127
326 HA VAL 45 HA VAL 45 -7.694 7.162 2.975
327 HB VAL 45 HB VAL 45 -6.248 7.462 1.094
328 HG11 VAL 45 HG11 VAL 45 -7.452 4.674 1.082
329 HG12 VAL 45 HG12 VAL 45 -5.862 5.116 0.415
330 HG13 VAL 45 HG13 VAL 45 -6.168 5.270 2.161
331 HG21 VAL 45 HG21 VAL 45 -7.044 6.377 -1.156
332 HG22 VAL 45 HG22 VAL 45 -8.672 6.694 -0.511
333 HG23 VAL 45 HG23 VAL 45 -7.531 8.040 -0.747
334 H LYS 46 H LYS 46 -7.077 9.475 2.465
335 HA LYS 46 HA LYS 46 -9.526 10.952 2.027
336 HB2 LYS 46 HB2 LYS 46 -6.848 12.146 2.719
337 HB3 LYS 46 HB3 LYS 46 -8.452 12.755 3.076
338 HG2 LYS 46 HG2 LYS 46 -8.839 10.803 4.610
339 HG3 LYS 46 HG3 LYS 46 -7.220 10.224 4.268
340 HD2 LYS 46 HD2 LYS 46 -6.836 11.428 6.234
341 HD3 LYS 46 HD3 LYS 46 -6.474 12.652 5.033
342 HE2 LYS 46 HE2 LYS 46 -7.924 13.799 6.499
343 HE3 LYS 46 HE3 LYS 46 -9.011 13.296 5.219
344 HZ1 LYS 46 HZ1 LYS 46 -10.148 12.218 6.742
345 HZ2 LYS 46 HZ2 LYS 46 -8.885 11.224 7.027
346 HZ3 LYS 46 HZ3 LYS 46 -9.069 12.584 7.912
347 HA PRO 47 HA PRO 47 -8.938 12.598 -1.942
348 HB2 PRO 47 HB2 PRO 47 -8.505 15.298 -0.718
349 HB3 PRO 47 HB3 PRO 47 -9.700 14.775 -1.962
350 HG2 PRO 47 HG2 PRO 47 -10.460 15.207 0.534
351 HG3 PRO 47 HG3 PRO 47 -11.067 13.772 -0.374
352 HD2 PRO 47 HD2 PRO 47 -8.889 13.953 1.686
353 HD3 PRO 47 HD3 PRO 47 -10.209 12.737 1.514
354 H GLY 48 H GLY 48 -7.140 12.705 -3.349
355 HA2 GLY 48 HA2 GLY 48 -5.108 13.689 -4.028
356 HA3 GLY 48 HA3 GLY 48 -4.686 13.990 -2.353
357 H VAL 49 H VAL 49 -5.500 11.331 -1.339
358 HA VAL 49 HA VAL 49 -3.097 9.935 -2.088
359 HB VAL 49 HB VAL 49 -5.228 8.935 -0.221
360 HG11 VAL 49 HG11 VAL 49 -3.104 8.205 1.025
361 HG12 VAL 49 HG12 VAL 49 -3.491 7.366 -0.496
362 HG13 VAL 49 HG13 VAL 49 -2.230 8.622 -0.469
363 HG21 VAL 49 HG21 VAL 49 -5.104 10.841 0.955
364 HG22 VAL 49 HG22 VAL 49 -3.463 10.317 1.401
365 HG23 VAL 49 HG23 VAL 49 -3.701 11.425 0.029
366 H ASN 50 H ASN 50 -2.987 7.858 -3.059
367 HA ASN 50 HA ASN 50 -5.337 7.308 -4.657
368 HB2 ASN 50 HB2 ASN 50 -2.392 6.560 -4.860
369 HB3 ASN 50 HB3 ASN 50 -3.585 5.670 -5.785
370 HD21 ASN 50 HD21 ASN 50 -1.781 8.557 -5.451
371 HD22 ASN 50 HD22 ASN 50 -2.351 9.407 -6.849
372 H LEU 51 H LEU 51 -6.345 5.201 -4.597
373 HA LEU 51 HA LEU 51 -5.177 3.230 -2.802
374 HB2 LEU 51 HB2 LEU 51 -6.563 4.444 -1.308
375 HB3 LEU 51 HB3 LEU 51 -7.887 4.499 -2.455
376 HG LEU 51 HG LEU 51 -8.229 2.083 -2.223
377 HD11 LEU 51 HD11 LEU 51 -6.820 1.327 0.044
378 HD12 LEU 51 HD12 LEU 51 -6.491 0.825 -1.631
379 HD13 LEU 51 HD13 LEU 51 -5.621 2.211 -0.930
380 HD21 LEU 51 HD21 LEU 51 -9.632 2.538 -0.568
381 HD22 LEU 51 HD22 LEU 51 -8.295 2.598 0.606
382 HD23 LEU 51 HD23 LEU 51 -8.760 4.065 -0.289
383 H ASN 52 H ASN 52 -5.617 1.103 -3.412
384 HA ASN 52 HA ASN 52 -7.477 0.811 -5.620
385 HB2 ASN 52 HB2 ASN 52 -5.381 0.868 -6.795
386 HB3 ASN 52 HB3 ASN 52 -4.549 -0.023 -5.536
387 HD21 ASN 52 HD21 ASN 52 -6.956 -0.219 -8.095
388 HD22 ASN 52 HD22 ASN 52 -6.839 -1.919 -8.403
389 H CYS 53 H CYS 53 -8.915 -0.807 -4.995
390 HA CYS 53 HA CYS 53 -7.909 -2.790 -3.091
391 HB2 CYS 53 HB2 CYS 53 -10.758 -1.903 -3.589
392 HB3 CYS 53 HB3 CYS 53 -10.250 -3.120 -2.435
393 H CYS 54 H CYS 54 -8.354 -5.037 -3.534
394 HA CYS 54 HA CYS 54 -9.767 -5.676 -5.955
395 HB2 CYS 54 HB2 CYS 54 -7.727 -7.129 -6.666
396 HB3 CYS 54 HB3 CYS 54 -7.835 -5.445 -7.140
397 H ARG 55 H ARG 55 -9.925 -8.164 -6.130
398 HA ARG 55 HA ARG 55 -9.829 -9.233 -3.426
399 HB2 ARG 55 HB2 ARG 55 -11.653 -9.951 -5.776
400 HB3 ARG 55 HB3 ARG 55 -11.650 -10.813 -4.250
401 HG2 ARG 55 HG2 ARG 55 -12.641 -9.053 -3.082
402 HG3 ARG 55 HG3 ARG 55 -11.941 -7.823 -4.115
403 HD2 ARG 55 HD2 ARG 55 -14.484 -8.208 -4.352
404 HD3 ARG 55 HD3 ARG 55 -13.562 -8.171 -5.841
405 HE ARG 55 HE ARG 55 -13.635 -10.874 -4.925
406 HH11 ARG 55 HH22 ARG 55 -15.812 -8.424 -6.204
407 HH12 ARG 55 HH21 ARG 55 -16.900 -9.574 -6.906
408 HH21 ARG 55 HH12 ARG 55 -15.070 -12.392 -5.850
409 HH22 ARG 55 HH11 ARG 55 -16.476 -11.847 -6.703
410 H THR 56 H THR 56 -7.440 -9.328 -4.827
411 HA THR 56 HA THR 56 -7.262 -12.181 -5.494
412 HB THR 56 HB THR 56 -5.501 -11.244 -7.263
413 HG1 THR 56 HG1 THR 56 -7.489 -9.136 -7.246
414 HG21 THR 56 HG21 THR 56 -7.568 -12.398 -8.006
415 HG22 THR 56 HG22 THR 56 -8.527 -10.943 -7.644
416 HG23 THR 56 HG23 THR 56 -7.333 -10.916 -8.964
417 H ASP 57 H ASP 57 -5.366 -13.222 -4.865
418 HA ASP 57 HA ASP 57 -4.197 -12.201 -2.595
419 HB2 ASP 57 HB2 ASP 57 -3.143 -14.308 -4.541
420 HB3 ASP 57 HB3 ASP 57 -2.521 -14.061 -2.922
421 H ARG 58 H ARG 58 -2.155 -11.139 -2.240
422 HA ARG 58 HA ARG 58 -0.676 -9.612 -2.745
423 HB2 ARG 58 HB2 ARG 58 0.311 -11.487 -4.931
424 HB3 ARG 58 HB3 ARG 58 1.269 -10.484 -3.861
425 HG2 ARG 58 HG2 ARG 58 0.199 -11.935 -1.931
426 HG3 ARG 58 HG3 ARG 58 -0.198 -13.061 -3.214
427 HD2 ARG 58 HD2 ARG 58 2.100 -13.440 -3.764
428 HD3 ARG 58 HD3 ARG 58 2.633 -11.988 -2.939
429 HE ARG 58 HE ARG 58 1.346 -13.746 -1.055
430 HH11 ARG 58 HH22 ARG 58 4.319 -13.411 -2.907
431 HH12 ARG 58 HH21 ARG 58 5.274 -14.316 -1.780
432 HH21 ARG 58 HH12 ARG 58 2.605 -14.939 0.433
433 HH22 ARG 58 HH11 ARG 58 4.292 -15.191 0.132
434 H CYS 59 H CYS 59 -3.130 -9.123 -4.155
435 HA CYS 59 HA CYS 59 -2.412 -8.507 -6.874
436 HB2 CYS 59 HB2 CYS 59 -4.686 -7.890 -7.181
437 HB3 CYS 59 HB3 CYS 59 -4.643 -9.395 -6.285
438 H ASN 60 H ASN 60 -2.478 -7.048 -3.679
439 HA ASN 60 HA ASN 60 -2.428 -4.390 -4.798
440 HB2 ASN 60 HB2 ASN 60 -2.550 -3.632 -2.456
441 HB3 ASN 60 HB3 ASN 60 -3.756 -4.878 -2.710
442 HD21 ASN 60 HD21 ASN 60 -2.157 -3.885 -0.348
443 HD22 ASN 60 HD22 ASN 60 -1.492 -5.302 0.393
444 H ASN 61 H ASN 61 -0.228 -5.809 -5.693
445 HA ASN 61 HA ASN 61 1.923 -5.894 -3.951
446 HB2 ASN 61 HB2 ASN 61 2.100 -5.418 -6.966
447 HB3 ASN 61 HB3 ASN 61 3.276 -6.234 -5.956
448 HD21 ASN 61 HD21 ASN 61 0.179 -6.419 -7.528
449 HD22 ASN 61 HD22 ASN 61 -0.079 -8.125 -7.384
Start of MODEL 6
1 H1 LEU 1 H1 LEU 1 -5.339 -15.662 2.514
2 H2 LEU 1 H2 LEU 1 -6.710 -15.989 1.645
3 H3 LEU 1 H3 LEU 1 -6.738 -14.834 2.831
4 HA LEU 1 HA LEU 1 -5.462 -14.770 0.233
5 HB2 LEU 1 HB2 LEU 1 -7.717 -14.047 0.203
6 HB3 LEU 1 HB3 LEU 1 -7.511 -13.074 1.645
7 HG LEU 1 HG LEU 1 -5.783 -11.743 0.195
8 HD11 LEU 1 HD11 LEU 1 -7.408 -13.167 -1.923
9 HD12 LEU 1 HD12 LEU 1 -6.476 -11.679 -2.214
10 HD13 LEU 1 HD13 LEU 1 -5.641 -13.168 -1.712
11 HD21 LEU 1 HD21 LEU 1 -8.781 -11.597 0.133
12 HD22 LEU 1 HD22 LEU 1 -7.605 -10.541 0.950
13 HD23 LEU 1 HD23 LEU 1 -7.807 -10.448 -0.816
14 H GLU 2 H GLU 2 -3.670 -13.491 -0.139
15 HA GLU 2 HA GLU 2 -2.584 -12.259 2.271
16 HB2 GLU 2 HB2 GLU 2 -1.067 -13.268 -0.175
17 HB3 GLU 2 HB3 GLU 2 -0.350 -12.630 1.291
18 HG2 GLU 2 HG2 GLU 2 -1.112 -14.497 2.609
19 HG3 GLU 2 HG3 GLU 2 -2.232 -15.021 1.367
20 H CYS 3 H CYS 3 -1.616 -10.146 2.110
21 HA CYS 3 HA CYS 3 -2.032 -8.807 -0.447
22 HB2 CYS 3 HB2 CYS 3 -2.842 -7.522 2.159
23 HB3 CYS 3 HB3 CYS 3 -3.105 -6.928 0.531
24 H HIS 4 H HIS 4 -0.362 -7.325 -0.914
25 HA HIS 4 HA HIS 4 2.015 -7.615 0.512
26 HB2 HIS 4 HB2 HIS 4 1.044 -5.857 -1.712
27 HB3 HIS 4 HB3 HIS 4 2.563 -5.461 -0.934
28 HD1 HIS 4 HD1 HIS 4 4.567 -7.121 -1.257
29 HD2 HIS 4 HD2 HIS 4 1.068 -8.192 -3.307
30 HE1 HIS 4 HE1 HIS 4 5.239 -8.938 -2.917
31 HE2 HIS 4 HE2 HIS 4 3.038 -9.594 -4.109
32 H ASN 5 H ASN 5 3.015 -6.399 2.110
33 HA ASN 5 HA ASN 5 1.380 -4.210 3.131
34 HB2 ASN 5 HB2 ASN 5 1.973 -4.833 5.365
35 HB3 ASN 5 HB3 ASN 5 1.656 -6.364 4.574
36 HD21 ASN 5 HD21 ASN 5 3.531 -5.165 6.764
37 HD22 ASN 5 HD22 ASN 5 5.059 -5.924 6.465
38 H GLN 6 H GLN 6 3.840 -4.578 1.166
39 HA GLN 6 HA GLN 6 5.991 -3.384 2.559
40 HB2 GLN 6 HB2 GLN 6 6.846 -3.101 0.097
41 HB3 GLN 6 HB3 GLN 6 6.695 -4.714 0.764
42 HG2 GLN 6 HG2 GLN 6 4.856 -5.250 -0.555
43 HG3 GLN 6 HG3 GLN 6 4.253 -3.604 -0.581
44 HE21 GLN 6 HE21 GLN 6 5.275 -5.888 -2.522
45 HE22 GLN 6 HE22 GLN 6 6.114 -5.010 -3.756
46 H GLN 7 H GLN 7 6.752 -1.217 2.462
47 HA GLN 7 HA GLN 7 4.719 0.630 1.494
48 HB2 GLN 7 HB2 GLN 7 6.147 2.238 3.058
49 HB3 GLN 7 HB3 GLN 7 4.942 1.163 3.739
50 HG2 GLN 7 HG2 GLN 7 6.563 -0.378 4.529
51 HG3 GLN 7 HG3 GLN 7 7.787 0.176 3.403
52 HE21 GLN 7 HE21 GLN 7 8.145 2.689 3.625
53 HE22 GLN 7 HE22 GLN 7 8.487 3.240 5.231
54 H SER 8 H SER 8 5.562 2.758 0.594
55 HA SER 8 HA SER 8 6.558 3.579 -1.203
56 HB2 SER 8 HB2 SER 8 9.112 3.120 0.383
57 HB3 SER 8 HB3 SER 8 8.742 4.459 -0.686
58 HG SER 8 HG SER 8 8.252 5.391 1.211
59 H SER 9 H SER 9 9.698 2.832 -1.426
60 HA SER 9 HA SER 9 9.165 0.777 -3.372
61 HB2 SER 9 HB2 SER 9 11.524 1.223 -4.091
62 HB3 SER 9 HB3 SER 9 10.518 2.658 -4.114
63 HG SER 9 HG SER 9 12.472 1.912 -2.116
64 H GLN 10 H GLN 10 9.732 0.831 -0.113
65 HA GLN 10 HA GLN 10 11.871 -0.663 0.457
66 HB2 GLN 10 HB2 GLN 10 9.135 -1.171 1.695
67 HB3 GLN 10 HB3 GLN 10 10.697 -1.393 2.458
68 HG2 GLN 10 HG2 GLN 10 9.336 1.217 1.700
69 HG3 GLN 10 HG3 GLN 10 9.879 0.703 3.285
70 HE21 GLN 10 HE21 GLN 10 10.485 3.111 1.757
71 HE22 GLN 10 HE22 GLN 10 12.207 3.201 1.590
72 HA PRO 11 HA PRO 11 11.719 -4.796 -0.927
73 HB2 PRO 11 HB2 PRO 11 11.391 -5.694 1.912
74 HB3 PRO 11 HB3 PRO 11 12.637 -6.155 0.693
75 HG2 PRO 11 HG2 PRO 11 13.232 -4.489 2.659
76 HG3 PRO 11 HG3 PRO 11 13.801 -4.164 0.979
77 HD2 PRO 11 HD2 PRO 11 11.489 -2.974 2.482
78 HD3 PRO 11 HD3 PRO 11 12.726 -2.165 1.448
79 HA PRO 12 HA PRO 12 7.331 -5.572 -1.280
80 HB2 PRO 12 HB2 PRO 12 8.438 -8.071 -2.506
81 HB3 PRO 12 HB3 PRO 12 7.230 -6.903 -3.160
82 HG2 PRO 12 HG2 PRO 12 9.716 -6.915 -4.065
83 HG3 PRO 12 HG3 PRO 12 8.874 -5.358 -3.717
84 HD2 PRO 12 HD2 PRO 12 10.899 -6.850 -2.075
85 HD3 PRO 12 HD3 PRO 12 10.793 -5.088 -2.445
86 H THR 13 H THR 13 6.058 -6.437 0.387
87 HA THR 13 HA THR 13 6.848 -9.053 1.462
88 HB THR 13 HB THR 13 6.082 -7.953 3.739
89 HG1 THR 13 HG1 THR 13 5.417 -6.003 2.361
90 HG21 THR 13 HG21 THR 13 8.358 -6.875 4.068
91 HG22 THR 13 HG22 THR 13 8.458 -8.527 3.415
92 HG23 THR 13 HG23 THR 13 8.678 -7.129 2.336
93 H THR 14 H THR 14 4.953 -9.859 2.980
94 HA THR 14 HA THR 14 2.370 -9.032 1.921
95 HB THR 14 HB THR 14 1.968 -11.612 1.526
96 HG1 THR 14 HG1 THR 14 3.872 -12.638 2.018
97 HG21 THR 14 HG21 THR 14 2.025 -10.149 -0.432
98 HG22 THR 14 HG22 THR 14 3.783 -9.923 -0.269
99 HG23 THR 14 HG23 THR 14 3.130 -11.506 -0.755
100 H LYS 15 H LYS 15 0.549 -9.917 3.161
101 HA LYS 15 HA LYS 15 1.271 -11.115 5.695
102 HB2 LYS 15 HB2 LYS 15 1.440 -8.518 5.816
103 HB3 LYS 15 HB3 LYS 15 -0.311 -8.553 5.775
104 HG2 LYS 15 HG2 LYS 15 -0.478 -9.707 7.832
105 HG3 LYS 15 HG3 LYS 15 1.140 -10.371 7.711
106 HD2 LYS 15 HD2 LYS 15 0.757 -7.369 7.930
107 HD3 LYS 15 HD3 LYS 15 0.666 -8.364 9.370
108 HE2 LYS 15 HE2 LYS 15 2.943 -9.356 8.700
109 HE3 LYS 15 HE3 LYS 15 3.031 -8.125 7.456
110 HZ1 LYS 15 HZ1 LYS 15 2.711 -7.589 10.328
111 HZ2 LYS 15 HZ2 LYS 15 4.103 -7.436 9.487
112 HZ3 LYS 15 HZ3 LYS 15 2.839 -6.455 9.159
113 H THR 16 H THR 16 -0.535 -12.135 6.737
114 HA THR 16 HA THR 16 -2.565 -12.906 4.852
115 HB THR 16 HB THR 16 -2.408 -13.638 7.805
116 HG1 THR 16 HG1 THR 16 -0.981 -14.859 5.568
117 HG21 THR 16 HG21 THR 16 -2.732 -15.954 6.432
118 HG22 THR 16 HG22 THR 16 -4.122 -14.949 6.905
119 HG23 THR 16 HG23 THR 16 -3.469 -14.842 5.253
120 H CYS 17 H CYS 17 -4.585 -12.155 4.617
121 HA CYS 17 HA CYS 17 -5.307 -9.886 6.212
122 HB2 CYS 17 HB2 CYS 17 -7.069 -11.194 4.156
123 HB3 CYS 17 HB3 CYS 17 -7.038 -9.520 4.675
124 H SER 18 H SER 18 -6.503 -10.024 8.082
125 HA SER 18 HA SER 18 -7.802 -12.573 8.580
126 HB2 SER 18 HB2 SER 18 -7.843 -11.759 10.983
127 HB3 SER 18 HB3 SER 18 -6.240 -11.997 10.316
128 HG SER 18 HG SER 18 -5.910 -9.799 10.173
129 H GLY 19 H GLY 19 -9.993 -12.652 8.256
130 HA2 GLY 19 HA2 GLY 19 -12.171 -12.041 8.443
131 HA3 GLY 19 HA3 GLY 19 -11.694 -10.548 9.226
132 H GLU 20 H GLU 20 -9.693 -10.403 6.680
133 HA GLU 20 HA GLU 20 -11.690 -9.010 5.090
134 HB2 GLU 20 HB2 GLU 20 -8.684 -8.698 4.810
135 HB3 GLU 20 HB3 GLU 20 -9.940 -7.581 4.313
136 HG2 GLU 20 HG2 GLU 20 -10.454 -6.976 6.591
137 HG3 GLU 20 HG3 GLU 20 -9.553 -8.333 7.238
138 H THR 21 H THR 21 -11.451 -9.108 2.672
139 HA THR 21 HA THR 21 -10.063 -11.518 1.750
140 HB THR 21 HB THR 21 -12.257 -11.939 0.388
141 HG1 THR 21 HG1 THR 21 -13.442 -10.613 2.657
142 HG21 THR 21 HG21 THR 21 -12.234 -12.216 3.439
143 HG22 THR 21 HG22 THR 21 -13.445 -12.979 2.380
144 HG23 THR 21 HG23 THR 21 -11.733 -13.452 2.260
145 H ASN 22 H ASN 22 -9.887 -8.394 1.651
146 HA ASN 22 HA ASN 22 -9.497 -8.395 -1.230
147 HB2 ASN 22 HB2 ASN 22 -10.668 -6.108 0.442
148 HB3 ASN 22 HB3 ASN 22 -10.233 -5.971 -1.250
149 HD21 ASN 22 HD21 ASN 22 -12.358 -7.501 1.078
150 HD22 ASN 22 HD22 ASN 22 -13.621 -7.966 -0.012
151 H CYS 23 H CYS 23 -7.767 -6.804 -1.896
152 HA CYS 23 HA CYS 23 -6.014 -6.162 0.365
153 HB2 CYS 23 HB2 CYS 23 -5.173 -6.806 -2.468
154 HB3 CYS 23 HB3 CYS 23 -4.115 -6.458 -1.115
155 H TYR 24 H TYR 24 -5.225 -4.023 0.456
156 HA TYR 24 HA TYR 24 -6.211 -2.250 -1.677
157 HB2 TYR 24 HB2 TYR 24 -6.655 -0.680 0.113
158 HB3 TYR 24 HB3 TYR 24 -7.148 -2.218 0.794
159 HD1 TYR 24 HD1 TYR 24 -4.575 0.421 0.858
160 HD2 TYR 24 HD2 TYR 24 -5.894 -3.256 2.602
161 HE1 TYR 24 HE1 TYR 24 -2.983 0.767 2.810
162 HE2 TYR 24 HE2 TYR 24 -4.297 -2.898 4.548
163 HH TYR 24 HH TYR 24 -3.109 -1.272 5.622
164 H LYS 25 H LYS 25 -4.858 -0.453 -2.283
165 HA LYS 25 HA LYS 25 -2.129 -0.571 -1.253
166 HB2 LYS 25 HB2 LYS 25 -1.952 -1.944 -3.183
167 HB3 LYS 25 HB3 LYS 25 -2.952 -0.874 -4.144
168 HG2 LYS 25 HG2 LYS 25 -1.150 0.942 -3.751
169 HG3 LYS 25 HG3 LYS 25 -0.137 -0.336 -3.109
170 HD2 LYS 25 HD2 LYS 25 0.242 0.139 -5.568
171 HD3 LYS 25 HD3 LYS 25 -0.145 -1.534 -5.218
172 HE2 LYS 25 HE2 LYS 25 -2.428 0.339 -5.844
173 HE3 LYS 25 HE3 LYS 25 -1.404 -0.174 -7.170
174 HZ1 LYS 25 HZ1 LYS 25 -2.153 -2.260 -7.018
175 HZ2 LYS 25 HZ2 LYS 25 -2.253 -2.264 -5.388
176 HZ3 LYS 25 HZ3 LYS 25 -3.440 -1.581 -6.277
177 H LYS 26 H LYS 26 -1.657 1.410 -0.486
178 HA LYS 26 HA LYS 26 -2.994 3.676 -1.789
179 HB2 LYS 26 HB2 LYS 26 -3.720 3.511 0.469
180 HB3 LYS 26 HB3 LYS 26 -2.096 3.228 1.062
181 HG2 LYS 26 HG2 LYS 26 -1.426 5.526 0.335
182 HG3 LYS 26 HG3 LYS 26 -3.046 5.810 -0.270
183 HD2 LYS 26 HD2 LYS 26 -3.974 5.987 1.864
184 HD3 LYS 26 HD3 LYS 26 -2.806 4.898 2.585
185 HE2 LYS 26 HE2 LYS 26 -1.204 6.574 2.881
186 HE3 LYS 26 HE3 LYS 26 -1.753 7.500 1.498
187 HZ1 LYS 26 HZ1 LYS 26 -2.873 8.724 2.922
188 HZ2 LYS 26 HZ2 LYS 26 -3.847 7.458 3.261
189 HZ3 LYS 26 HZ3 LYS 26 -2.525 7.741 4.179
190 H TRP 27 H TRP 27 -1.768 5.483 -2.431
191 HA TRP 27 HA TRP 27 1.043 5.555 -1.882
192 HB2 TRP 27 HB2 TRP 27 1.871 5.265 -4.080
193 HB3 TRP 27 HB3 TRP 27 0.923 3.848 -3.675
194 HD1 TRP 27 HD1 TRP 27 1.008 6.746 -6.153
195 HE1 TRP 27 HE1 TRP 27 -0.820 6.481 -8.037
196 HE3 TRP 27 HE3 TRP 27 -1.437 2.861 -3.966
197 HZ2 TRP 27 HZ2 TRP 27 -3.034 4.715 -8.393
198 HZ3 TRP 27 HZ3 TRP 27 -3.423 1.925 -5.148
199 HH2 TRP 27 HH2 TRP 27 -4.229 2.790 -7.287
200 H TRP 28 H TRP 28 1.855 7.674 -2.290
201 HA TRP 28 HA TRP 28 0.277 9.530 -3.799
202 HB2 TRP 28 HB2 TRP 28 -0.270 11.040 -2.025
203 HB3 TRP 28 HB3 TRP 28 -0.999 9.477 -1.710
204 HD1 TRP 28 HD1 TRP 28 1.254 12.014 -0.099
205 HE1 TRP 28 HE1 TRP 28 2.166 11.223 2.248
206 HE3 TRP 28 HE3 TRP 28 -0.211 7.169 -0.577
207 HZ2 TRP 28 HZ2 TRP 28 2.172 8.715 3.610
208 HZ3 TRP 28 HZ3 TRP 28 0.287 5.614 1.307
209 HH2 TRP 28 HH2 TRP 28 1.435 6.317 3.347
210 H SER 29 H SER 29 1.416 11.813 -3.534
211 HA SER 29 HA SER 29 4.261 11.222 -3.470
212 HB2 SER 29 HB2 SER 29 4.514 13.264 -4.857
213 HB3 SER 29 HB3 SER 29 3.429 12.107 -5.603
214 HG SER 29 HG SER 29 2.783 14.576 -4.271
215 H ASP 30 H ASP 30 5.733 12.810 -2.446
216 HA ASP 30 HA ASP 30 4.411 14.685 -0.692
217 HB2 ASP 30 HB2 ASP 30 6.417 12.571 0.226
218 HB3 ASP 30 HB3 ASP 30 5.900 13.923 1.215
219 H HIS 31 H HIS 31 6.229 16.116 0.416
220 HA HIS 31 HA HIS 31 7.931 17.035 -1.624
221 HB2 HIS 31 HB2 HIS 31 8.451 18.774 -0.185
222 HB3 HIS 31 HB3 HIS 31 6.834 18.320 0.314
223 HD1 HIS 31 HD1 HIS 31 10.418 18.281 1.464
224 HD2 HIS 31 HD2 HIS 31 6.635 17.168 2.895
225 HE1 HIS 31 HE1 HIS 31 10.705 17.818 3.957
226 HE2 HIS 31 HE2 HIS 31 8.337 17.192 4.792
227 H ARG 32 H ARG 32 8.152 14.360 0.466
228 HA ARG 32 HA ARG 32 11.046 14.508 0.486
229 HB2 ARG 32 HB2 ARG 32 9.177 12.540 1.903
230 HB3 ARG 32 HB3 ARG 32 10.914 12.623 2.121
231 HG2 ARG 32 HG2 ARG 32 10.796 14.777 3.177
232 HG3 ARG 32 HG3 ARG 32 9.160 15.058 2.617
233 HD2 ARG 32 HD2 ARG 32 9.294 14.421 5.061
234 HD3 ARG 32 HD3 ARG 32 8.262 13.362 4.121
235 HE ARG 32 HE ARG 32 10.938 12.311 4.124
236 HH11 ARG 32 HH22 ARG 32 8.162 12.722 6.247
237 HH12 ARG 32 HH21 ARG 32 8.558 11.359 7.240
238 HH21 ARG 32 HH12 ARG 32 11.461 10.513 5.434
239 HH22 ARG 32 HH11 ARG 32 10.448 10.094 6.774
240 H GLY 33 H GLY 33 8.249 12.828 -0.885
241 HA2 GLY 33 HA2 GLY 33 9.324 11.804 -3.099
242 HA3 GLY 33 HA3 GLY 33 9.828 10.614 -1.915
243 H THR 34 H THR 34 8.336 9.360 -3.577
244 HA THR 34 HA THR 34 5.511 9.716 -3.068
245 HB THR 34 HB THR 34 7.251 7.936 -4.827
246 HG1 THR 34 HG1 THR 34 6.355 10.332 -5.076
247 HG21 THR 34 HG21 THR 34 4.409 7.817 -5.448
248 HG22 THR 34 HG22 THR 34 5.537 6.467 -5.174
249 HG23 THR 34 HG23 THR 34 4.677 7.203 -3.799
250 H ILE 35 H ILE 35 4.531 8.973 -1.303
251 HA ILE 35 HA ILE 35 5.798 6.773 0.117
252 HB ILE 35 HB ILE 35 3.500 8.572 0.896
253 HG12 ILE 35 HG12 ILE 35 6.467 8.733 1.465
254 HG13 ILE 35 HG13 ILE 35 5.458 9.924 0.669
255 HG21 ILE 35 HG21 ILE 35 3.439 6.401 2.028
256 HG22 ILE 35 HG22 ILE 35 5.124 6.623 2.555
257 HG23 ILE 35 HG23 ILE 35 3.853 7.716 3.154
258 HD11 ILE 35 HD11 ILE 35 5.858 10.620 2.984
259 HD12 ILE 35 HD12 ILE 35 4.140 10.197 2.794
260 HD13 ILE 35 HD13 ILE 35 5.254 9.059 3.589
261 H ILE 36 H ILE 36 4.943 4.728 0.276
262 HA ILE 36 HA ILE 36 2.306 4.339 -0.945
263 HB ILE 36 HB ILE 36 4.617 2.456 -1.362
264 HG12 ILE 36 HG12 ILE 36 3.718 4.705 -3.188
265 HG13 ILE 36 HG13 ILE 36 5.239 4.626 -2.320
266 HG21 ILE 36 HG21 ILE 36 3.202 1.195 -2.553
267 HG22 ILE 36 HG22 ILE 36 1.924 2.089 -1.696
268 HG23 ILE 36 HG23 ILE 36 2.433 2.604 -3.322
269 HD11 ILE 36 HD11 ILE 36 5.546 3.891 -4.655
270 HD12 ILE 36 HD12 ILE 36 5.834 2.530 -3.543
271 HD13 ILE 36 HD13 ILE 36 4.300 2.639 -4.440
272 H GLU 37 H GLU 37 0.917 3.230 0.338
273 HA GLU 37 HA GLU 37 2.132 1.599 2.422
274 HB2 GLU 37 HB2 GLU 37 1.165 3.959 3.121
275 HB3 GLU 37 HB3 GLU 37 -0.395 3.177 2.957
276 HG2 GLU 37 HG2 GLU 37 1.795 1.839 4.575
277 HG3 GLU 37 HG3 GLU 37 0.855 3.135 5.289
278 H ARG 38 H ARG 38 1.508 -0.489 2.107
279 HA ARG 38 HA ARG 38 -1.155 -0.859 0.987
280 HB2 ARG 38 HB2 ARG 38 1.109 -2.893 0.812
281 HB3 ARG 38 HB3 ARG 38 -0.360 -2.841 -0.144
282 HG2 ARG 38 HG2 ARG 38 0.386 -0.788 -1.279
283 HG3 ARG 38 HG3 ARG 38 1.788 -0.671 -0.234
284 HD2 ARG 38 HD2 ARG 38 2.917 -2.414 -1.307
285 HD3 ARG 38 HD3 ARG 38 1.441 -3.246 -1.753
286 HE ARG 38 HE ARG 38 1.146 -1.703 -3.606
287 HH11 ARG 38 HH22 ARG 38 4.164 -1.266 -1.849
288 HH12 ARG 38 HH21 ARG 38 4.926 -0.377 -3.125
289 HH21 ARG 38 HH12 ARG 38 2.151 -0.530 -5.289
290 HH22 ARG 38 HH11 ARG 38 3.773 0.045 -5.095
291 H GLY 39 H GLY 39 -2.224 -2.995 1.679
292 HA2 GLY 39 HA2 GLY 39 -1.277 -4.466 3.886
293 HA3 GLY 39 HA3 GLY 39 -2.335 -3.194 4.464
294 H CYS 40 H CYS 40 -3.399 -5.498 5.055
295 HA CYS 40 HA CYS 40 -4.884 -6.595 2.853
296 HB2 CYS 40 HB2 CYS 40 -4.581 -7.260 5.762
297 HB3 CYS 40 HB3 CYS 40 -5.934 -7.912 4.859
298 H GLY 41 H GLY 41 -7.273 -6.598 2.804
299 HA2 GLY 41 HA2 GLY 41 -9.357 -5.847 3.520
300 HA3 GLY 41 HA3 GLY 41 -8.594 -4.646 4.543
301 H CYS 42 H CYS 42 -10.266 -3.202 3.469
302 HA CYS 42 HA CYS 42 -9.005 -1.961 1.175
303 HB2 CYS 42 HB2 CYS 42 -10.545 -3.426 0.081
304 HB3 CYS 42 HB3 CYS 42 -11.847 -2.981 1.165
305 HA PRO 43 HA PRO 43 -10.464 0.802 4.618
306 HB2 PRO 43 HB2 PRO 43 -8.125 2.216 4.699
307 HB3 PRO 43 HB3 PRO 43 -8.330 0.642 5.555
308 HG2 PRO 43 HG2 PRO 43 -7.095 1.209 2.880
309 HG3 PRO 43 HG3 PRO 43 -6.470 0.202 4.239
310 HD2 PRO 43 HD2 PRO 43 -7.719 -0.871 2.114
311 HD3 PRO 43 HD3 PRO 43 -7.922 -1.525 3.782
312 H LYS 44 H LYS 44 -10.145 3.396 4.617
313 HA LYS 44 HA LYS 44 -10.592 4.231 1.835
314 HB2 LYS 44 HB2 LYS 44 -11.874 5.276 4.378
315 HB3 LYS 44 HB3 LYS 44 -12.099 5.964 2.782
316 HG2 LYS 44 HG2 LYS 44 -12.826 3.119 3.628
317 HG3 LYS 44 HG3 LYS 44 -13.956 4.425 3.329
318 HD2 LYS 44 HD2 LYS 44 -12.873 4.540 0.941
319 HD3 LYS 44 HD3 LYS 44 -12.209 2.963 1.318
320 HE2 LYS 44 HE2 LYS 44 -14.247 2.415 0.259
321 HE3 LYS 44 HE3 LYS 44 -14.663 2.299 1.957
322 HZ1 LYS 44 HZ1 LYS 44 -15.014 4.932 1.149
323 HZ2 LYS 44 HZ2 LYS 44 -15.761 3.977 0.055
324 HZ3 LYS 44 HZ3 LYS 44 -16.151 3.866 1.637
325 H VAL 45 H VAL 45 -9.550 6.091 1.090
326 HA VAL 45 HA VAL 45 -7.553 7.160 2.964
327 HB VAL 45 HB VAL 45 -6.136 7.543 1.049
328 HG11 VAL 45 HG11 VAL 45 -7.246 4.721 1.182
329 HG12 VAL 45 HG12 VAL 45 -5.738 5.170 0.349
330 HG13 VAL 45 HG13 VAL 45 -5.884 5.394 2.109
331 HG21 VAL 45 HG21 VAL 45 -6.928 6.395 -1.172
332 HG22 VAL 45 HG22 VAL 45 -8.556 6.661 -0.504
333 HG23 VAL 45 HG23 VAL 45 -7.470 8.044 -0.779
334 H LYS 46 H LYS 46 -6.909 9.486 2.450
335 HA LYS 46 HA LYS 46 -9.357 10.986 2.134
336 HB2 LYS 46 HB2 LYS 46 -6.634 12.154 2.680
337 HB3 LYS 46 HB3 LYS 46 -8.209 12.775 3.130
338 HG2 LYS 46 HG2 LYS 46 -8.356 10.423 4.447
339 HG3 LYS 46 HG3 LYS 46 -6.609 10.555 4.392
340 HD2 LYS 46 HD2 LYS 46 -8.341 12.873 5.337
341 HD3 LYS 46 HD3 LYS 46 -7.844 11.602 6.435
342 HE2 LYS 46 HE2 LYS 46 -6.106 13.148 6.729
343 HE3 LYS 46 HE3 LYS 46 -5.412 12.097 5.510
344 HZ1 LYS 46 HZ1 LYS 46 -5.362 13.780 4.115
345 HZ2 LYS 46 HZ2 LYS 46 -6.955 14.095 4.292
346 HZ3 LYS 46 HZ3 LYS 46 -5.869 14.784 5.299
347 HA PRO 47 HA PRO 47 -8.983 12.629 -1.861
348 HB2 PRO 47 HB2 PRO 47 -8.497 15.328 -0.656
349 HB3 PRO 47 HB3 PRO 47 -9.753 14.802 -1.838
350 HG2 PRO 47 HG2 PRO 47 -10.384 15.227 0.695
351 HG3 PRO 47 HG3 PRO 47 -11.032 13.791 -0.183
352 HD2 PRO 47 HD2 PRO 47 -8.751 13.978 1.762
353 HD3 PRO 47 HD3 PRO 47 -10.073 12.757 1.657
354 H GLY 48 H GLY 48 -7.252 12.710 -3.347
355 HA2 GLY 48 HA2 GLY 48 -5.263 13.695 -4.141
356 HA3 GLY 48 HA3 GLY 48 -4.763 14.030 -2.495
357 H VAL 49 H VAL 49 -5.509 11.381 -1.398
358 HA VAL 49 HA VAL 49 -3.121 10.001 -2.193
359 HB VAL 49 HB VAL 49 -5.251 9.048 -0.286
360 HG11 VAL 49 HG11 VAL 49 -3.585 7.733 0.681
361 HG12 VAL 49 HG12 VAL 49 -3.208 7.635 -1.056
362 HG13 VAL 49 HG13 VAL 49 -2.268 8.717 -0.001
363 HG21 VAL 49 HG21 VAL 49 -3.319 10.310 1.263
364 HG22 VAL 49 HG22 VAL 49 -3.588 11.444 -0.082
365 HG23 VAL 49 HG23 VAL 49 -4.959 10.912 0.922
366 H ASN 50 H ASN 50 -3.024 7.849 -3.068
367 HA ASN 50 HA ASN 50 -5.358 7.307 -4.700
368 HB2 ASN 50 HB2 ASN 50 -2.417 6.524 -4.871
369 HB3 ASN 50 HB3 ASN 50 -3.617 5.658 -5.809
370 HD21 ASN 50 HD21 ASN 50 -1.764 8.512 -5.453
371 HD22 ASN 50 HD22 ASN 50 -2.304 9.372 -6.856
372 H LEU 51 H LEU 51 -6.332 5.168 -4.666
373 HA LEU 51 HA LEU 51 -5.191 3.215 -2.849
374 HB2 LEU 51 HB2 LEU 51 -6.528 4.446 -1.329
375 HB3 LEU 51 HB3 LEU 51 -7.871 4.530 -2.452
376 HG LEU 51 HG LEU 51 -8.278 2.135 -2.212
377 HD11 LEU 51 HD11 LEU 51 -6.552 0.823 -1.707
378 HD12 LEU 51 HD12 LEU 51 -5.623 2.171 -1.008
379 HD13 LEU 51 HD13 LEU 51 -6.814 1.301 -0.012
380 HD21 LEU 51 HD21 LEU 51 -8.587 4.102 -0.162
381 HD22 LEU 51 HD22 LEU 51 -9.628 2.713 -0.553
382 HD23 LEU 51 HD23 LEU 51 -8.287 2.522 0.602
383 H ASN 52 H ASN 52 -5.652 1.098 -3.459
384 HA ASN 52 HA ASN 52 -7.575 0.817 -5.613
385 HB2 ASN 52 HB2 ASN 52 -5.527 0.863 -6.860
386 HB3 ASN 52 HB3 ASN 52 -4.646 -0.009 -5.621
387 HD21 ASN 52 HD21 ASN 52 -5.197 -2.245 -5.225
388 HD22 ASN 52 HD22 ASN 52 -5.752 -3.252 -6.521
389 H CYS 53 H CYS 53 -8.978 -0.845 -5.019
390 HA CYS 53 HA CYS 53 -7.940 -2.805 -3.108
391 HB2 CYS 53 HB2 CYS 53 -10.805 -1.958 -3.587
392 HB3 CYS 53 HB3 CYS 53 -10.268 -3.157 -2.427
393 H CYS 54 H CYS 54 -8.367 -5.058 -3.543
394 HA CYS 54 HA CYS 54 -9.788 -5.716 -5.954
395 HB2 CYS 54 HB2 CYS 54 -7.737 -7.153 -6.671
396 HB3 CYS 54 HB3 CYS 54 -7.866 -5.472 -7.152
397 H ARG 55 H ARG 55 -9.912 -8.210 -6.126
398 HA ARG 55 HA ARG 55 -9.804 -9.268 -3.418
399 HB2 ARG 55 HB2 ARG 55 -11.615 -10.019 -5.767
400 HB3 ARG 55 HB3 ARG 55 -11.602 -10.874 -4.237
401 HG2 ARG 55 HG2 ARG 55 -12.617 -9.122 -3.077
402 HG3 ARG 55 HG3 ARG 55 -11.933 -7.888 -4.116
403 HD2 ARG 55 HD2 ARG 55 -14.258 -9.754 -4.776
404 HD3 ARG 55 HD3 ARG 55 -14.332 -8.016 -4.561
405 HE ARG 55 HE ARG 55 -13.551 -9.412 -6.973
406 HH11 ARG 55 HH22 ARG 55 -12.908 -6.494 -5.113
407 HH12 ARG 55 HH21 ARG 55 -12.383 -5.580 -6.488
408 HH21 ARG 55 HH12 ARG 55 -12.859 -8.206 -8.787
409 HH22 ARG 55 HH11 ARG 55 -12.355 -6.560 -8.591
410 H THR 56 H THR 56 -7.412 -9.336 -4.819
411 HA THR 56 HA THR 56 -7.199 -12.188 -5.480
412 HB THR 56 HB THR 56 -5.440 -11.230 -7.241
413 HG1 THR 56 HG1 THR 56 -7.416 -9.147 -7.357
414 HG21 THR 56 HG21 THR 56 -7.263 -10.931 -8.953
415 HG22 THR 56 HG22 THR 56 -7.497 -12.408 -7.986
416 HG23 THR 56 HG23 THR 56 -8.466 -10.955 -7.641
417 H ASP 57 H ASP 57 -5.295 -13.209 -4.842
418 HA ASP 57 HA ASP 57 -4.147 -12.173 -2.567
419 HB2 ASP 57 HB2 ASP 57 -3.050 -14.267 -4.504
420 HB3 ASP 57 HB3 ASP 57 -2.457 -14.018 -2.874
421 H ARG 58 H ARG 58 -2.121 -11.084 -2.206
422 HA ARG 58 HA ARG 58 -0.653 -9.547 -2.704
423 HB2 ARG 58 HB2 ARG 58 0.359 -11.411 -4.889
424 HB3 ARG 58 HB3 ARG 58 1.304 -10.398 -3.815
425 HG2 ARG 58 HG2 ARG 58 0.241 -11.861 -1.890
426 HG3 ARG 58 HG3 ARG 58 -0.138 -12.991 -3.175
427 HD2 ARG 58 HD2 ARG 58 2.167 -13.345 -3.714
428 HD3 ARG 58 HD3 ARG 58 2.680 -11.887 -2.889
429 HE ARG 58 HE ARG 58 1.424 -13.593 -0.971
430 HH11 ARG 58 HH22 ARG 58 4.333 -13.458 -2.946
431 HH12 ARG 58 HH21 ARG 58 5.279 -14.403 -1.845
432 HH21 ARG 58 HH12 ARG 58 2.671 -14.840 0.483
433 HH22 ARG 58 HH11 ARG 58 4.327 -15.194 0.119
434 H CYS 59 H CYS 59 -3.109 -9.084 -4.123
435 HA CYS 59 HA CYS 59 -2.381 -8.451 -6.837
436 HB2 CYS 59 HB2 CYS 59 -4.660 -7.884 -7.167
437 HB3 CYS 59 HB3 CYS 59 -4.603 -9.381 -6.257
438 H ASN 60 H ASN 60 -2.480 -7.010 -3.639
439 HA ASN 60 HA ASN 60 -2.483 -4.345 -4.742
440 HB2 ASN 60 HB2 ASN 60 -2.630 -3.601 -2.402
441 HB3 ASN 60 HB3 ASN 60 -3.796 -4.885 -2.651
442 HD21 ASN 60 HD21 ASN 60 -2.131 -3.813 -0.328
443 HD22 ASN 60 HD22 ASN 60 -1.449 -5.218 0.422
444 H ASN 61 H ASN 61 -0.257 -5.716 -5.647
445 HA ASN 61 HA ASN 61 1.875 -5.282 -3.762
446 HB2 ASN 61 HB2 ASN 61 3.283 -6.437 -5.431
447 HB3 ASN 61 HB3 ASN 61 1.814 -7.359 -5.181
448 HD21 ASN 61 HD21 ASN 61 3.775 -6.951 -7.462
449 HD22 ASN 61 HD22 ASN 61 2.797 -6.636 -8.856
Start of MODEL 7
1 H1 LEU 1 H1 LEU 1 -6.703 -15.978 1.616
2 H2 LEU 1 H2 LEU 1 -6.621 -14.851 2.827
3 H3 LEU 1 H3 LEU 1 -5.271 -15.711 2.403
4 HA LEU 1 HA LEU 1 -5.457 -14.763 0.172
5 HB2 LEU 1 HB2 LEU 1 -7.698 -14.044 0.170
6 HB3 LEU 1 HB3 LEU 1 -7.503 -13.130 1.652
7 HG LEU 1 HG LEU 1 -5.833 -11.679 0.292
8 HD11 LEU 1 HD11 LEU 1 -7.300 -13.105 -1.937
9 HD12 LEU 1 HD12 LEU 1 -6.428 -11.567 -2.141
10 HD13 LEU 1 HD13 LEU 1 -5.545 -13.033 -1.651
11 HD21 LEU 1 HD21 LEU 1 -8.829 -11.670 0.107
12 HD22 LEU 1 HD22 LEU 1 -7.739 -10.588 1.006
13 HD23 LEU 1 HD23 LEU 1 -7.874 -10.446 -0.763
14 H GLU 2 H GLU 2 -3.615 -13.595 -0.191
15 HA GLU 2 HA GLU 2 -2.492 -12.348 2.189
16 HB2 GLU 2 HB2 GLU 2 -0.962 -13.158 -0.312
17 HB3 GLU 2 HB3 GLU 2 -0.306 -12.783 1.269
18 HG2 GLU 2 HG2 GLU 2 -1.930 -14.806 2.017
19 HG3 GLU 2 HG3 GLU 2 -1.725 -15.274 0.341
20 H CYS 3 H CYS 3 -1.552 -10.226 2.052
21 HA CYS 3 HA CYS 3 -2.023 -8.834 -0.465
22 HB2 CYS 3 HB2 CYS 3 -2.820 -7.619 2.178
23 HB3 CYS 3 HB3 CYS 3 -3.104 -6.988 0.568
24 H HIS 4 H HIS 4 -0.370 -7.334 -0.923
25 HA HIS 4 HA HIS 4 2.019 -7.619 0.491
26 HB2 HIS 4 HB2 HIS 4 1.025 -5.871 -1.727
27 HB3 HIS 4 HB3 HIS 4 2.536 -5.447 -0.947
28 HD1 HIS 4 HD1 HIS 4 4.553 -7.132 -1.208
29 HD2 HIS 4 HD2 HIS 4 1.111 -8.142 -3.383
30 HE1 HIS 4 HE1 HIS 4 5.265 -8.918 -2.885
31 HE2 HIS 4 HE2 HIS 4 3.098 -9.539 -4.155
32 H ASN 5 H ASN 5 3.027 -6.383 2.075
33 HA ASN 5 HA ASN 5 1.370 -4.222 3.119
34 HB2 ASN 5 HB2 ASN 5 2.005 -4.837 5.349
35 HB3 ASN 5 HB3 ASN 5 1.665 -6.365 4.561
36 HD21 ASN 5 HD21 ASN 5 3.061 -7.886 4.954
37 HD22 ASN 5 HD22 ASN 5 4.761 -7.714 5.244
38 H GLN 6 H GLN 6 3.895 -4.655 1.183
39 HA GLN 6 HA GLN 6 6.013 -3.410 2.552
40 HB2 GLN 6 HB2 GLN 6 6.856 -3.113 0.087
41 HB3 GLN 6 HB3 GLN 6 6.718 -4.729 0.750
42 HG2 GLN 6 HG2 GLN 6 4.872 -5.271 -0.559
43 HG3 GLN 6 HG3 GLN 6 4.266 -3.627 -0.586
44 HE21 GLN 6 HE21 GLN 6 5.341 -5.931 -2.503
45 HE22 GLN 6 HE22 GLN 6 6.157 -5.047 -3.749
46 H GLN 7 H GLN 7 6.765 -1.238 2.452
47 HA GLN 7 HA GLN 7 4.716 0.600 1.503
48 HB2 GLN 7 HB2 GLN 7 6.084 2.225 3.062
49 HB3 GLN 7 HB3 GLN 7 4.972 1.074 3.774
50 HG2 GLN 7 HG2 GLN 7 6.683 -0.308 4.580
51 HG3 GLN 7 HG3 GLN 7 7.808 0.162 3.322
52 HE21 GLN 7 HE21 GLN 7 8.538 0.043 5.964
53 HE22 GLN 7 HE22 GLN 7 8.879 1.627 6.578
54 H SER 8 H SER 8 5.526 2.720 0.578
55 HA SER 8 HA SER 8 6.507 3.540 -1.229
56 HB2 SER 8 HB2 SER 8 9.067 3.141 0.364
57 HB3 SER 8 HB3 SER 8 8.676 4.462 -0.719
58 HG SER 8 HG SER 8 7.037 3.966 1.591
59 H SER 9 H SER 9 9.659 2.848 -1.444
60 HA SER 9 HA SER 9 9.167 0.776 -3.380
61 HB2 SER 9 HB2 SER 9 11.456 1.266 -4.157
62 HB3 SER 9 HB3 SER 9 10.517 2.740 -4.031
63 HG SER 9 HG SER 9 11.795 2.199 -1.640
64 H GLN 10 H GLN 10 9.727 0.859 -0.112
65 HA GLN 10 HA GLN 10 11.869 -0.626 0.467
66 HB2 GLN 10 HB2 GLN 10 9.136 -1.134 1.712
67 HB3 GLN 10 HB3 GLN 10 10.700 -1.341 2.475
68 HG2 GLN 10 HG2 GLN 10 9.321 1.254 1.699
69 HG3 GLN 10 HG3 GLN 10 9.877 0.757 3.285
70 HE21 GLN 10 HE21 GLN 10 10.457 3.154 1.721
71 HE22 GLN 10 HE22 GLN 10 12.178 3.254 1.547
72 HA PRO 11 HA PRO 11 11.725 -4.770 -0.886
73 HB2 PRO 11 HB2 PRO 11 11.402 -5.647 1.961
74 HB3 PRO 11 HB3 PRO 11 12.648 -6.115 0.744
75 HG2 PRO 11 HG2 PRO 11 13.241 -4.433 2.697
76 HG3 PRO 11 HG3 PRO 11 13.807 -4.120 1.014
77 HD2 PRO 11 HD2 PRO 11 11.494 -2.923 2.510
78 HD3 PRO 11 HD3 PRO 11 12.728 -2.119 1.469
79 HA PRO 12 HA PRO 12 7.344 -5.575 -1.234
80 HB2 PRO 12 HB2 PRO 12 8.462 -8.096 -2.406
81 HB3 PRO 12 HB3 PRO 12 7.253 -6.943 -3.087
82 HG2 PRO 12 HG2 PRO 12 9.742 -6.968 -3.983
83 HG3 PRO 12 HG3 PRO 12 8.895 -5.406 -3.669
84 HD2 PRO 12 HD2 PRO 12 10.918 -6.860 -1.991
85 HD3 PRO 12 HD3 PRO 12 10.809 -5.106 -2.396
86 H THR 13 H THR 13 6.043 -6.437 0.414
87 HA THR 13 HA THR 13 6.864 -9.009 1.570
88 HB THR 13 HB THR 13 6.025 -7.870 3.801
89 HG1 THR 13 HG1 THR 13 5.292 -5.885 2.953
90 HG21 THR 13 HG21 THR 13 8.267 -6.735 4.153
91 HG22 THR 13 HG22 THR 13 8.420 -8.398 3.539
92 HG23 THR 13 HG23 THR 13 8.631 -7.019 2.434
93 H THR 14 H THR 14 4.954 -9.819 3.066
94 HA THR 14 HA THR 14 2.377 -9.075 1.935
95 HB THR 14 HB THR 14 2.036 -11.668 1.584
96 HG1 THR 14 HG1 THR 14 3.941 -12.709 2.004
97 HG21 THR 14 HG21 THR 14 3.868 -9.988 -0.204
98 HG22 THR 14 HG22 THR 14 3.244 -11.588 -0.672
99 HG23 THR 14 HG23 THR 14 2.117 -10.237 -0.401
100 H LYS 15 H LYS 15 0.552 -9.945 3.164
101 HA LYS 15 HA LYS 15 1.230 -11.110 5.722
102 HB2 LYS 15 HB2 LYS 15 1.504 -8.618 5.988
103 HB3 LYS 15 HB3 LYS 15 -0.200 -8.440 5.619
104 HG2 LYS 15 HG2 LYS 15 -0.334 -8.590 7.933
105 HG3 LYS 15 HG3 LYS 15 -0.487 -10.289 7.532
106 HD2 LYS 15 HD2 LYS 15 2.285 -9.150 7.924
107 HD3 LYS 15 HD3 LYS 15 1.299 -9.449 9.342
108 HE2 LYS 15 HE2 LYS 15 0.893 -11.818 8.114
109 HE3 LYS 15 HE3 LYS 15 2.424 -11.422 7.359
110 HZ1 LYS 15 HZ1 LYS 15 2.889 -12.570 9.328
111 HZ2 LYS 15 HZ2 LYS 15 3.261 -11.012 9.648
112 HZ3 LYS 15 HZ3 LYS 15 1.879 -11.658 10.230
113 H THR 16 H THR 16 -0.596 -12.112 6.743
114 HA THR 16 HA THR 16 -2.609 -12.875 4.836
115 HB THR 16 HB THR 16 -2.494 -13.608 7.790
116 HG1 THR 16 HG1 THR 16 -0.536 -14.523 7.312
117 HG21 THR 16 HG21 THR 16 -4.210 -14.893 6.839
118 HG22 THR 16 HG22 THR 16 -3.489 -14.829 5.213
119 HG23 THR 16 HG23 THR 16 -2.815 -15.924 6.444
120 H CYS 17 H CYS 17 -4.676 -12.203 4.644
121 HA CYS 17 HA CYS 17 -5.384 -9.897 6.212
122 HB2 CYS 17 HB2 CYS 17 -7.132 -11.194 4.138
123 HB3 CYS 17 HB3 CYS 17 -7.099 -9.522 4.661
124 H SER 18 H SER 18 -6.595 -10.039 8.072
125 HA SER 18 HA SER 18 -7.900 -12.588 8.552
126 HB2 SER 18 HB2 SER 18 -6.409 -12.082 10.333
127 HB3 SER 18 HB3 SER 18 -6.859 -10.388 10.357
128 HG SER 18 HG SER 18 -8.889 -10.929 11.274
129 H GLY 19 H GLY 19 -10.086 -12.668 8.204
130 HA2 GLY 19 HA2 GLY 19 -12.267 -12.058 8.374
131 HA3 GLY 19 HA3 GLY 19 -11.798 -10.563 9.158
132 H GLU 20 H GLU 20 -9.773 -10.399 6.644
133 HA GLU 20 HA GLU 20 -11.761 -9.028 5.024
134 HB2 GLU 20 HB2 GLU 20 -8.753 -8.685 4.797
135 HB3 GLU 20 HB3 GLU 20 -10.010 -7.585 4.267
136 HG2 GLU 20 HG2 GLU 20 -10.596 -7.003 6.547
137 HG3 GLU 20 HG3 GLU 20 -9.639 -8.317 7.202
138 H THR 21 H THR 21 -11.508 -9.135 2.614
139 HA THR 21 HA THR 21 -10.075 -11.529 1.713
140 HB THR 21 HB THR 21 -12.248 -11.956 0.312
141 HG1 THR 21 HG1 THR 21 -14.089 -11.033 1.701
142 HG21 THR 21 HG21 THR 21 -12.260 -12.258 3.360
143 HG22 THR 21 HG22 THR 21 -13.449 -13.025 2.280
144 HG23 THR 21 HG23 THR 21 -11.731 -13.480 2.178
145 H ASN 22 H ASN 22 -9.922 -8.402 1.616
146 HA ASN 22 HA ASN 22 -9.491 -8.400 -1.260
147 HB2 ASN 22 HB2 ASN 22 -10.692 -6.124 0.405
148 HB3 ASN 22 HB3 ASN 22 -10.227 -5.973 -1.278
149 HD21 ASN 22 HD21 ASN 22 -12.395 -7.511 1.001
150 HD22 ASN 22 HD22 ASN 22 -13.635 -7.977 -0.115
151 H CYS 23 H CYS 23 -7.750 -6.818 -1.903
152 HA CYS 23 HA CYS 23 -6.028 -6.171 0.379
153 HB2 CYS 23 HB2 CYS 23 -5.145 -6.805 -2.442
154 HB3 CYS 23 HB3 CYS 23 -4.110 -6.472 -1.068
155 H TYR 24 H TYR 24 -5.232 -4.033 0.475
156 HA TYR 24 HA TYR 24 -6.212 -2.257 -1.660
157 HB2 TYR 24 HB2 TYR 24 -6.632 -0.682 0.134
158 HB3 TYR 24 HB3 TYR 24 -7.141 -2.216 0.811
159 HD1 TYR 24 HD2 TYR 24 -4.540 0.395 0.880
160 HD2 TYR 24 HD1 TYR 24 -5.895 -3.274 2.614
161 HE1 TYR 24 HE2 TYR 24 -2.942 0.718 2.831
162 HE2 TYR 24 HE1 TYR 24 -4.292 -2.939 4.559
163 HH TYR 24 HH TYR 24 -3.215 -0.700 5.637
164 H LYS 25 H LYS 25 -4.864 -0.416 -2.214
165 HA LYS 25 HA LYS 25 -2.126 -0.567 -1.220
166 HB2 LYS 25 HB2 LYS 25 -1.955 -1.925 -3.157
167 HB3 LYS 25 HB3 LYS 25 -2.967 -0.857 -4.107
168 HG2 LYS 25 HG2 LYS 25 -1.052 0.934 -3.453
169 HG3 LYS 25 HG3 LYS 25 -0.087 -0.520 -3.291
170 HD2 LYS 25 HD2 LYS 25 -0.543 -1.181 -5.592
171 HD3 LYS 25 HD3 LYS 25 -1.762 0.065 -5.772
172 HE2 LYS 25 HE2 LYS 25 -0.171 1.808 -5.879
173 HE3 LYS 25 HE3 LYS 25 1.051 0.888 -5.024
174 HZ1 LYS 25 HZ1 LYS 25 0.337 0.809 -7.812
175 HZ2 LYS 25 HZ2 LYS 25 1.797 0.622 -7.104
176 HZ3 LYS 25 HZ3 LYS 25 0.742 -0.624 -7.141
177 H LYS 26 H LYS 26 -1.619 1.410 -0.464
178 HA LYS 26 HA LYS 26 -2.981 3.686 -1.721
179 HB2 LYS 26 HB2 LYS 26 -3.582 3.368 0.618
180 HB3 LYS 26 HB3 LYS 26 -1.894 3.350 1.089
181 HG2 LYS 26 HG2 LYS 26 -1.832 5.713 -0.153
182 HG3 LYS 26 HG3 LYS 26 -3.564 5.676 0.112
183 HD2 LYS 26 HD2 LYS 26 -1.676 5.081 2.410
184 HD3 LYS 26 HD3 LYS 26 -1.983 6.742 1.944
185 HE2 LYS 26 HE2 LYS 26 -3.574 6.165 3.688
186 HE3 LYS 26 HE3 LYS 26 -4.467 6.307 2.186
187 HZ1 LYS 26 HZ1 LYS 26 -3.420 3.707 2.978
188 HZ2 LYS 26 HZ2 LYS 26 -4.793 4.262 3.667
189 HZ3 LYS 26 HZ3 LYS 26 -4.718 4.055 2.049
190 H TRP 27 H TRP 27 -1.775 5.463 -2.438
191 HA TRP 27 HA TRP 27 1.050 5.549 -1.951
192 HB2 TRP 27 HB2 TRP 27 1.822 5.243 -4.168
193 HB3 TRP 27 HB3 TRP 27 0.889 3.827 -3.724
194 HD1 TRP 27 HD1 TRP 27 0.889 6.710 -6.224
195 HE1 TRP 27 HE1 TRP 27 -0.984 6.416 -8.059
196 HE3 TRP 27 HE3 TRP 27 -1.461 2.816 -3.953
197 HZ2 TRP 27 HZ2 TRP 27 -3.190 4.628 -8.348
198 HZ3 TRP 27 HZ3 TRP 27 -3.467 1.854 -5.078
199 HH2 TRP 27 HH2 TRP 27 -4.337 2.698 -7.201
200 H TRP 28 H TRP 28 1.856 7.663 -2.420
201 HA TRP 28 HA TRP 28 0.261 9.504 -3.913
202 HB2 TRP 28 HB2 TRP 28 -0.278 11.032 -2.138
203 HB3 TRP 28 HB3 TRP 28 -1.030 9.477 -1.844
204 HD1 TRP 28 HD1 TRP 28 1.355 11.936 -0.241
205 HE1 TRP 28 HE1 TRP 28 2.181 11.129 2.132
206 HE3 TRP 28 HE3 TRP 28 -0.455 7.201 -0.639
207 HZ2 TRP 28 HZ2 TRP 28 1.989 8.657 3.544
208 HZ3 TRP 28 HZ3 TRP 28 -0.093 5.654 1.282
209 HH2 TRP 28 HH2 TRP 28 1.082 6.314 3.321
210 H SER 29 H SER 29 1.388 11.794 -3.661
211 HA SER 29 HA SER 29 4.235 11.218 -3.593
212 HB2 SER 29 HB2 SER 29 3.135 12.160 -5.697
213 HB3 SER 29 HB3 SER 29 2.835 13.638 -4.805
214 HG SER 29 HG SER 29 5.045 13.014 -6.136
215 H ASP 30 H ASP 30 5.702 12.816 -2.575
216 HA ASP 30 HA ASP 30 4.378 14.690 -0.822
217 HB2 ASP 30 HB2 ASP 30 6.421 12.628 0.131
218 HB3 ASP 30 HB3 ASP 30 5.786 13.934 1.111
219 H HIS 31 H HIS 31 6.195 16.120 0.288
220 HA HIS 31 HA HIS 31 7.905 17.030 -1.746
221 HB2 HIS 31 HB2 HIS 31 6.914 18.508 -0.076
222 HB3 HIS 31 HB3 HIS 31 7.779 17.688 1.209
223 HD1 HIS 31 HD1 HIS 31 9.009 19.889 1.883
224 HD2 HIS 31 HD2 HIS 31 9.782 18.609 -2.036
225 HE1 HIS 31 HE1 HIS 31 11.002 21.256 1.064
226 HE2 HIS 31 HE2 HIS 31 11.464 20.387 -1.329
227 H ARG 32 H ARG 32 8.115 14.368 0.368
228 HA ARG 32 HA ARG 32 11.009 14.505 0.381
229 HB2 ARG 32 HB2 ARG 32 9.645 13.993 2.515
230 HB3 ARG 32 HB3 ARG 32 9.235 12.452 1.787
231 HG2 ARG 32 HG2 ARG 32 12.147 13.238 1.879
232 HG3 ARG 32 HG3 ARG 32 11.388 12.735 3.376
233 HD2 ARG 32 HD2 ARG 32 10.946 11.023 0.927
234 HD3 ARG 32 HD3 ARG 32 12.516 10.954 1.702
235 HE ARG 32 HE ARG 32 10.291 10.712 3.592
236 HH11 ARG 32 HH22 ARG 32 12.417 8.957 1.406
237 HH12 ARG 32 HH21 ARG 32 12.210 7.441 2.217
238 HH21 ARG 32 HH12 ARG 32 10.017 8.711 4.663
239 HH22 ARG 32 HH11 ARG 32 10.836 7.300 4.082
240 H GLY 33 H GLY 33 8.202 12.820 -0.963
241 HA2 GLY 33 HA2 GLY 33 9.273 11.765 -3.167
242 HA3 GLY 33 HA3 GLY 33 9.766 10.586 -1.968
243 H THR 34 H THR 34 8.268 9.321 -3.615
244 HA THR 34 HA THR 34 5.444 9.706 -3.109
245 HB THR 34 HB THR 34 7.156 7.870 -4.845
246 HG1 THR 34 HG1 THR 34 6.196 9.263 -6.403
247 HG21 THR 34 HG21 THR 34 4.285 7.892 -5.443
248 HG22 THR 34 HG22 THR 34 5.377 6.497 -5.272
249 HG23 THR 34 HG23 THR 34 4.588 7.190 -3.836
250 H ILE 35 H ILE 35 4.458 8.978 -1.342
251 HA ILE 35 HA ILE 35 5.719 6.800 0.111
252 HB ILE 35 HB ILE 35 3.415 8.624 0.811
253 HG12 ILE 35 HG12 ILE 35 6.362 8.691 1.477
254 HG13 ILE 35 HG13 ILE 35 5.394 9.933 0.707
255 HG21 ILE 35 HG21 ILE 35 3.706 7.751 3.103
256 HG22 ILE 35 HG22 ILE 35 3.172 6.504 1.951
257 HG23 ILE 35 HG23 ILE 35 4.870 6.556 2.481
258 HD11 ILE 35 HD11 ILE 35 5.188 8.988 3.600
259 HD12 ILE 35 HD12 ILE 35 5.728 10.583 3.022
260 HD13 ILE 35 HD13 ILE 35 4.024 10.100 2.842
261 H ILE 36 H ILE 36 4.894 4.744 0.275
262 HA ILE 36 HA ILE 36 2.269 4.303 -0.950
263 HB ILE 36 HB ILE 36 4.610 2.466 -1.402
264 HG12 ILE 36 HG12 ILE 36 3.674 4.719 -3.205
265 HG13 ILE 36 HG13 ILE 36 5.191 4.668 -2.327
266 HG21 ILE 36 HG21 ILE 36 1.921 2.068 -1.734
267 HG22 ILE 36 HG22 ILE 36 2.417 2.615 -3.354
268 HG23 ILE 36 HG23 ILE 36 3.209 1.205 -2.609
269 HD11 ILE 36 HD11 ILE 36 5.542 3.958 -4.659
270 HD12 ILE 36 HD12 ILE 36 5.831 2.586 -3.562
271 HD13 ILE 36 HD13 ILE 36 4.307 2.688 -4.478
272 H GLU 37 H GLU 37 0.918 3.150 0.336
273 HA GLU 37 HA GLU 37 2.180 1.494 2.366
274 HB2 GLU 37 HB2 GLU 37 1.386 3.770 3.263
275 HB3 GLU 37 HB3 GLU 37 -0.250 3.239 2.929
276 HG2 GLU 37 HG2 GLU 37 0.085 1.251 4.404
277 HG3 GLU 37 HG3 GLU 37 1.730 1.761 4.727
278 H ARG 38 H ARG 38 1.513 -0.580 2.043
279 HA ARG 38 HA ARG 38 -1.183 -0.893 0.990
280 HB2 ARG 38 HB2 ARG 38 1.032 -2.969 0.730
281 HB3 ARG 38 HB3 ARG 38 -0.450 -2.860 -0.198
282 HG2 ARG 38 HG2 ARG 38 0.319 -0.914 -1.400
283 HG3 ARG 38 HG3 ARG 38 1.641 -0.649 -0.282
284 HD2 ARG 38 HD2 ARG 38 2.952 -2.357 -1.195
285 HD3 ARG 38 HD3 ARG 38 1.567 -3.304 -1.700
286 HE ARG 38 HE ARG 38 1.288 -1.839 -3.625
287 HH11 ARG 38 HH22 ARG 38 4.181 -1.201 -1.725
288 HH12 ARG 38 HH21 ARG 38 4.976 -0.328 -2.992
289 HH21 ARG 38 HH12 ARG 38 2.337 -0.688 -5.297
290 HH22 ARG 38 HH11 ARG 38 3.920 -0.034 -5.038
291 H GLY 39 H GLY 39 -2.268 -3.022 1.679
292 HA2 GLY 39 HA2 GLY 39 -1.281 -4.524 3.855
293 HA3 GLY 39 HA3 GLY 39 -2.333 -3.258 4.456
294 H CYS 40 H CYS 40 -3.423 -5.523 5.061
295 HA CYS 40 HA CYS 40 -4.912 -6.636 2.868
296 HB2 CYS 40 HB2 CYS 40 -4.600 -7.284 5.779
297 HB3 CYS 40 HB3 CYS 40 -5.963 -7.934 4.889
298 H GLY 41 H GLY 41 -7.297 -6.618 2.811
299 HA2 GLY 41 HA2 GLY 41 -9.378 -5.854 3.520
300 HA3 GLY 41 HA3 GLY 41 -8.612 -4.663 4.551
301 H CYS 42 H CYS 42 -10.297 -3.229 3.456
302 HA CYS 42 HA CYS 42 -9.010 -1.975 1.181
303 HB2 CYS 42 HB2 CYS 42 -10.545 -3.429 0.070
304 HB3 CYS 42 HB3 CYS 42 -11.853 -2.991 1.151
305 HA PRO 43 HA PRO 43 -10.482 0.781 4.624
306 HB2 PRO 43 HB2 PRO 43 -8.138 2.187 4.725
307 HB3 PRO 43 HB3 PRO 43 -8.354 0.611 5.575
308 HG2 PRO 43 HG2 PRO 43 -7.100 1.183 2.909
309 HG3 PRO 43 HG3 PRO 43 -6.487 0.169 4.268
310 HD2 PRO 43 HD2 PRO 43 -7.725 -0.892 2.132
311 HD3 PRO 43 HD3 PRO 43 -7.941 -1.551 3.797
312 H LYS 44 H LYS 44 -10.148 3.375 4.634
313 HA LYS 44 HA LYS 44 -10.589 4.218 1.854
314 HB2 LYS 44 HB2 LYS 44 -12.163 5.851 2.678
315 HB3 LYS 44 HB3 LYS 44 -12.630 4.258 3.239
316 HG2 LYS 44 HG2 LYS 44 -11.288 4.816 5.404
317 HG3 LYS 44 HG3 LYS 44 -11.282 6.473 4.833
318 HD2 LYS 44 HD2 LYS 44 -13.877 6.175 4.574
319 HD3 LYS 44 HD3 LYS 44 -13.676 4.760 5.588
320 HE2 LYS 44 HE2 LYS 44 -14.052 6.355 7.239
321 HE3 LYS 44 HE3 LYS 44 -12.305 6.455 7.142
322 HZ1 LYS 44 HZ1 LYS 44 -13.073 8.151 5.235
323 HZ2 LYS 44 HZ2 LYS 44 -14.268 8.360 6.329
324 HZ3 LYS 44 HZ3 LYS 44 -12.711 8.590 6.766
325 H VAL 45 H VAL 45 -9.539 6.077 1.110
326 HA VAL 45 HA VAL 45 -7.518 7.117 2.973
327 HB VAL 45 HB VAL 45 -6.107 7.488 1.061
328 HG11 VAL 45 HG11 VAL 45 -7.092 4.684 0.610
329 HG12 VAL 45 HG12 VAL 45 -5.426 5.300 0.727
330 HG13 VAL 45 HG13 VAL 45 -6.421 5.141 2.194
331 HG21 VAL 45 HG21 VAL 45 -6.928 6.408 -1.179
332 HG22 VAL 45 HG22 VAL 45 -8.550 6.684 -0.499
333 HG23 VAL 45 HG23 VAL 45 -7.444 8.056 -0.748
334 H LYS 46 H LYS 46 -6.874 9.440 2.510
335 HA LYS 46 HA LYS 46 -9.310 10.959 2.187
336 HB2 LYS 46 HB2 LYS 46 -6.590 12.105 2.790
337 HB3 LYS 46 HB3 LYS 46 -8.169 12.723 3.231
338 HG2 LYS 46 HG2 LYS 46 -8.487 10.631 4.672
339 HG3 LYS 46 HG3 LYS 46 -6.815 10.223 4.344
340 HD2 LYS 46 HD2 LYS 46 -7.728 12.849 5.613
341 HD3 LYS 46 HD3 LYS 46 -7.144 11.467 6.518
342 HE2 LYS 46 HE2 LYS 46 -5.578 13.125 4.490
343 HE3 LYS 46 HE3 LYS 46 -5.288 13.023 6.215
344 HZ1 LYS 46 HZ1 LYS 46 -3.833 11.488 5.528
345 HZ2 LYS 46 HZ2 LYS 46 -5.121 10.485 5.563
346 HZ3 LYS 46 HZ3 LYS 46 -4.630 11.133 4.147
347 HA PRO 47 HA PRO 47 -8.864 12.680 -1.768
348 HB2 PRO 47 HB2 PRO 47 -8.346 15.348 -0.508
349 HB3 PRO 47 HB3 PRO 47 -9.598 14.865 -1.713
350 HG2 PRO 47 HG2 PRO 47 -10.250 15.254 0.821
351 HG3 PRO 47 HG3 PRO 47 -10.912 13.846 -0.091
352 HD2 PRO 47 HD2 PRO 47 -8.649 13.958 1.881
353 HD3 PRO 47 HD3 PRO 47 -9.991 12.761 1.739
354 H GLY 48 H GLY 48 -7.115 12.757 -3.233
355 HA2 GLY 48 HA2 GLY 48 -5.102 13.725 -3.987
356 HA3 GLY 48 HA3 GLY 48 -4.614 14.019 -2.330
357 H VAL 49 H VAL 49 -5.418 11.362 -1.294
358 HA VAL 49 HA VAL 49 -3.053 9.949 -2.126
359 HB VAL 49 HB VAL 49 -5.138 8.962 -0.200
360 HG11 VAL 49 HG11 VAL 49 -2.112 8.711 -0.302
361 HG12 VAL 49 HG12 VAL 49 -3.173 8.003 0.940
362 HG13 VAL 49 HG13 VAL 49 -3.291 7.454 -0.750
363 HG21 VAL 49 HG21 VAL 49 -4.946 10.849 0.995
364 HG22 VAL 49 HG22 VAL 49 -3.290 10.312 1.366
365 HG23 VAL 49 HG23 VAL 49 -3.580 11.432 0.013
366 H ASN 50 H ASN 50 -3.001 7.845 -3.069
367 HA ASN 50 HA ASN 50 -5.393 7.337 -4.622
368 HB2 ASN 50 HB2 ASN 50 -2.465 6.544 -4.896
369 HB3 ASN 50 HB3 ASN 50 -3.695 5.677 -5.794
370 HD21 ASN 50 HD21 ASN 50 -1.836 8.533 -5.494
371 HD22 ASN 50 HD22 ASN 50 -2.423 9.395 -6.877
372 H LEU 51 H LEU 51 -6.363 5.187 -4.617
373 HA LEU 51 HA LEU 51 -5.205 3.230 -2.808
374 HB2 LEU 51 HB2 LEU 51 -6.576 4.448 -1.303
375 HB3 LEU 51 HB3 LEU 51 -7.909 4.505 -2.439
376 HG LEU 51 HG LEU 51 -8.252 2.089 -2.204
377 HD11 LEU 51 HD11 LEU 51 -5.645 2.228 -0.887
378 HD12 LEU 51 HD12 LEU 51 -6.851 1.300 0.037
379 HD13 LEU 51 HD13 LEU 51 -6.482 0.852 -1.646
380 HD21 LEU 51 HD21 LEU 51 -8.302 2.603 0.624
381 HD22 LEU 51 HD22 LEU 51 -8.765 4.074 -0.265
382 HD23 LEU 51 HD23 LEU 51 -9.645 2.552 -0.543
383 H ASN 52 H ASN 52 -5.650 1.105 -3.419
384 HA ASN 52 HA ASN 52 -7.533 0.816 -5.607
385 HB2 ASN 52 HB2 ASN 52 -5.128 0.986 -6.479
386 HB3 ASN 52 HB3 ASN 52 -4.752 -0.466 -5.573
387 HD21 ASN 52 HD21 ASN 52 -5.623 -2.443 -6.160
388 HD22 ASN 52 HD22 ASN 52 -6.325 -2.745 -7.714
389 H CYS 53 H CYS 53 -8.951 -0.830 -5.008
390 HA CYS 53 HA CYS 53 -7.932 -2.801 -3.098
391 HB2 CYS 53 HB2 CYS 53 -10.790 -1.937 -3.590
392 HB3 CYS 53 HB3 CYS 53 -10.267 -3.145 -2.433
393 H CYS 54 H CYS 54 -8.341 -5.048 -3.549
394 HA CYS 54 HA CYS 54 -9.760 -5.694 -5.969
395 HB2 CYS 54 HB2 CYS 54 -7.700 -7.144 -6.659
396 HB3 CYS 54 HB3 CYS 54 -7.836 -5.470 -7.160
397 H ARG 55 H ARG 55 -9.863 -8.198 -6.155
398 HA ARG 55 HA ARG 55 -9.812 -9.254 -3.444
399 HB2 ARG 55 HB2 ARG 55 -11.556 -10.023 -5.838
400 HB3 ARG 55 HB3 ARG 55 -11.578 -10.874 -4.307
401 HG2 ARG 55 HG2 ARG 55 -12.635 -9.126 -3.179
402 HG3 ARG 55 HG3 ARG 55 -11.933 -7.890 -4.203
403 HD2 ARG 55 HD2 ARG 55 -14.170 -7.884 -4.929
404 HD3 ARG 55 HD3 ARG 55 -13.426 -8.947 -6.107
405 HE ARG 55 HE ARG 55 -14.581 -10.778 -5.180
406 HH11 ARG 55 HH22 ARG 55 -14.830 -7.998 -3.037
407 HH12 ARG 55 HH21 ARG 55 -16.025 -8.730 -2.018
408 HH21 ARG 55 HH12 ARG 55 -16.158 -11.743 -3.837
409 HH22 ARG 55 HH11 ARG 55 -16.785 -10.874 -2.477
410 H THR 56 H THR 56 -7.384 -9.307 -4.781
411 HA THR 56 HA THR 56 -7.122 -12.161 -5.401
412 HB THR 56 HB THR 56 -5.378 -11.231 -7.181
413 HG1 THR 56 HG1 THR 56 -6.945 -9.151 -7.827
414 HG21 THR 56 HG21 THR 56 -7.468 -12.423 -7.869
415 HG22 THR 56 HG22 THR 56 -8.397 -10.925 -7.618
416 HG23 THR 56 HG23 THR 56 -7.173 -11.008 -8.908
417 H ASP 57 H ASP 57 -5.221 -13.137 -4.708
418 HA ASP 57 HA ASP 57 -4.090 -11.996 -2.470
419 HB2 ASP 57 HB2 ASP 57 -3.029 -14.197 -4.303
420 HB3 ASP 57 HB3 ASP 57 -2.379 -13.852 -2.713
421 H ARG 58 H ARG 58 -2.016 -10.955 -2.148
422 HA ARG 58 HA ARG 58 -0.517 -9.469 -2.694
423 HB2 ARG 58 HB2 ARG 58 0.394 -11.348 -4.907
424 HB3 ARG 58 HB3 ARG 58 1.387 -10.370 -3.845
425 HG2 ARG 58 HG2 ARG 58 0.319 -11.827 -1.912
426 HG3 ARG 58 HG3 ARG 58 -0.099 -12.936 -3.203
427 HD2 ARG 58 HD2 ARG 58 2.188 -13.335 -3.774
428 HD3 ARG 58 HD3 ARG 58 2.743 -11.889 -2.954
429 HE ARG 58 HE ARG 58 1.608 -13.363 -0.905
430 HH11 ARG 58 HH22 ARG 58 4.035 -14.072 -3.352
431 HH12 ARG 58 HH21 ARG 58 4.876 -15.223 -2.368
432 HH21 ARG 58 HH12 ARG 58 2.717 -14.881 0.394
433 HH22 ARG 58 HH11 ARG 58 4.121 -15.686 -0.223
434 H CYS 59 H CYS 59 -3.035 -9.045 -4.092
435 HA CYS 59 HA CYS 59 -2.328 -8.376 -6.802
436 HB2 CYS 59 HB2 CYS 59 -4.610 -7.874 -7.133
437 HB3 CYS 59 HB3 CYS 59 -4.538 -9.346 -6.186
438 H ASN 60 H ASN 60 -2.435 -6.962 -3.592
439 HA ASN 60 HA ASN 60 -2.485 -4.288 -4.674
440 HB2 ASN 60 HB2 ASN 60 -2.606 -3.571 -2.312
441 HB3 ASN 60 HB3 ASN 60 -3.790 -4.832 -2.594
442 HD21 ASN 60 HD21 ASN 60 -2.136 -3.841 -0.235
443 HD22 ASN 60 HD22 ASN 60 -1.472 -5.270 0.484
444 H ASN 61 H ASN 61 -0.242 -5.590 -5.609
445 HA ASN 61 HA ASN 61 1.897 -5.264 -3.736
446 HB2 ASN 61 HB2 ASN 61 3.217 -6.433 -5.313
447 HB3 ASN 61 HB3 ASN 61 1.622 -7.078 -5.648
448 HD21 ASN 61 HD21 ASN 61 0.490 -6.450 -7.472
449 HD22 ASN 61 HD22 ASN 61 1.233 -5.667 -8.827
Start of MODEL 8
1 H1 LEU 1 H1 LEU 1 -6.151 -16.168 1.602
2 H2 LEU 1 H2 LEU 1 -7.098 -15.076 2.411
3 H3 LEU 1 H3 LEU 1 -5.504 -15.252 2.821
4 HA LEU 1 HA LEU 1 -5.470 -14.739 0.186
5 HB2 LEU 1 HB2 LEU 1 -7.750 -14.048 0.215
6 HB3 LEU 1 HB3 LEU 1 -7.502 -13.045 1.631
7 HG LEU 1 HG LEU 1 -5.814 -11.749 0.103
8 HD11 LEU 1 HD11 LEU 1 -6.126 -13.576 -1.708
9 HD12 LEU 1 HD12 LEU 1 -7.633 -12.709 -2.091
10 HD13 LEU 1 HD13 LEU 1 -6.069 -11.866 -2.200
11 HD21 LEU 1 HD21 LEU 1 -7.630 -10.553 0.915
12 HD22 LEU 1 HD22 LEU 1 -7.837 -10.441 -0.849
13 HD23 LEU 1 HD23 LEU 1 -8.817 -11.591 0.091
14 H GLU 2 H GLU 2 -3.662 -13.493 -0.162
15 HA GLU 2 HA GLU 2 -2.587 -12.259 2.251
16 HB2 GLU 2 HB2 GLU 2 -1.002 -13.122 -0.200
17 HB3 GLU 2 HB3 GLU 2 -0.369 -12.681 1.374
18 HG2 GLU 2 HG2 GLU 2 -0.322 -15.064 1.363
19 HG3 GLU 2 HG3 GLU 2 -1.725 -14.660 2.331
20 H CYS 3 H CYS 3 -1.626 -10.141 2.106
21 HA CYS 3 HA CYS 3 -2.055 -8.779 -0.435
22 HB2 CYS 3 HB2 CYS 3 -2.867 -7.520 2.182
23 HB3 CYS 3 HB3 CYS 3 -3.140 -6.917 0.560
24 H HIS 4 H HIS 4 -0.390 -7.291 -0.893
25 HA HIS 4 HA HIS 4 1.987 -7.578 0.535
26 HB2 HIS 4 HB2 HIS 4 1.012 -5.818 -1.684
27 HB3 HIS 4 HB3 HIS 4 2.527 -5.414 -0.901
28 HD1 HIS 4 HD1 HIS 4 4.537 -7.077 -1.208
29 HD2 HIS 4 HD2 HIS 4 1.059 -8.130 -3.303
30 HE1 HIS 4 HE1 HIS 4 5.226 -8.879 -2.877
31 HE2 HIS 4 HE2 HIS 4 3.038 -9.526 -4.097
32 H ASN 5 H ASN 5 3.102 -6.182 1.973
33 HA ASN 5 HA ASN 5 1.416 -4.066 3.056
34 HB2 ASN 5 HB2 ASN 5 2.025 -4.667 5.293
35 HB3 ASN 5 HB3 ASN 5 1.701 -6.205 4.518
36 HD21 ASN 5 HD21 ASN 5 3.102 -7.714 4.943
37 HD22 ASN 5 HD22 ASN 5 4.797 -7.528 5.246
38 H GLN 6 H GLN 6 3.981 -4.602 1.162
39 HA GLN 6 HA GLN 6 6.118 -3.397 2.483
40 HB2 GLN 6 HB2 GLN 6 6.858 -2.999 -0.025
41 HB3 GLN 6 HB3 GLN 6 6.786 -4.626 0.623
42 HG2 GLN 6 HG2 GLN 6 4.877 -5.187 -0.591
43 HG3 GLN 6 HG3 GLN 6 4.256 -3.548 -0.589
44 HE21 GLN 6 HE21 GLN 6 5.149 -5.799 -2.596
45 HE22 GLN 6 HE22 GLN 6 5.942 -4.922 -3.861
46 H GLN 7 H GLN 7 6.949 -1.241 2.396
47 HA GLN 7 HA GLN 7 4.904 0.683 1.624
48 HB2 GLN 7 HB2 GLN 7 5.890 0.462 4.065
49 HB3 GLN 7 HB3 GLN 7 7.260 1.335 3.409
50 HG2 GLN 7 HG2 GLN 7 5.612 3.099 2.553
51 HG3 GLN 7 HG3 GLN 7 4.354 2.266 3.444
52 HE21 GLN 7 HE21 GLN 7 4.423 4.599 4.289
53 HE22 GLN 7 HE22 GLN 7 5.337 4.872 5.735
54 H SER 8 H SER 8 5.638 2.740 0.613
55 HA SER 8 HA SER 8 6.550 3.552 -1.234
56 HB2 SER 8 HB2 SER 8 9.138 3.255 0.341
57 HB3 SER 8 HB3 SER 8 8.728 4.522 -0.799
58 HG SER 8 HG SER 8 7.279 4.051 1.665
59 H SER 9 H SER 9 9.732 2.919 -1.463
60 HA SER 9 HA SER 9 9.265 0.848 -3.400
61 HB2 SER 9 HB2 SER 9 11.642 2.625 -2.740
62 HB3 SER 9 HB3 SER 9 11.775 1.302 -3.881
63 HG SER 9 HG SER 9 10.696 2.428 -5.363
64 H GLN 10 H GLN 10 9.846 0.947 -0.118
65 HA GLN 10 HA GLN 10 11.967 -0.573 0.445
66 HB2 GLN 10 HB2 GLN 10 9.247 -1.036 1.732
67 HB3 GLN 10 HB3 GLN 10 10.820 -1.242 2.476
68 HG2 GLN 10 HG2 GLN 10 9.302 1.281 1.902
69 HG3 GLN 10 HG3 GLN 10 10.287 0.869 3.292
70 HE21 GLN 10 HE21 GLN 10 12.632 0.714 2.959
71 HE22 GLN 10 HE22 GLN 10 13.409 1.815 1.871
72 HA PRO 11 HA PRO 11 11.730 -4.724 -0.874
73 HB2 PRO 11 HB2 PRO 11 11.422 -5.574 1.982
74 HB3 PRO 11 HB3 PRO 11 12.645 -6.075 0.755
75 HG2 PRO 11 HG2 PRO 11 13.291 -4.390 2.690
76 HG3 PRO 11 HG3 PRO 11 13.845 -4.100 0.998
77 HD2 PRO 11 HD2 PRO 11 11.572 -2.848 2.511
78 HD3 PRO 11 HD3 PRO 11 12.809 -2.076 1.450
79 HA PRO 12 HA PRO 12 7.312 -5.388 -1.148
80 HB2 PRO 12 HB2 PRO 12 8.347 -7.885 -2.441
81 HB3 PRO 12 HB3 PRO 12 7.146 -6.685 -3.047
82 HG2 PRO 12 HG2 PRO 12 9.610 -6.725 -4.009
83 HG3 PRO 12 HG3 PRO 12 8.804 -5.160 -3.616
84 HD2 PRO 12 HD2 PRO 12 10.838 -6.714 -2.045
85 HD3 PRO 12 HD3 PRO 12 10.755 -4.945 -2.384
86 H THR 13 H THR 13 6.020 -6.302 0.480
87 HA THR 13 HA THR 13 6.834 -8.918 1.536
88 HB THR 13 HB THR 13 6.041 -7.849 3.816
89 HG1 THR 13 HG1 THR 13 6.488 -5.478 3.667
90 HG21 THR 13 HG21 THR 13 8.632 -6.978 2.433
91 HG22 THR 13 HG22 THR 13 8.298 -6.734 4.165
92 HG23 THR 13 HG23 THR 13 8.426 -8.383 3.507
93 H THR 14 H THR 14 4.932 -9.742 3.051
94 HA THR 14 HA THR 14 2.351 -8.950 1.961
95 HB THR 14 HB THR 14 1.983 -11.537 1.576
96 HG1 THR 14 HG1 THR 14 4.111 -12.017 2.567
97 HG21 THR 14 HG21 THR 14 3.171 -11.428 -0.693
98 HG22 THR 14 HG22 THR 14 2.042 -10.086 -0.390
99 HG23 THR 14 HG23 THR 14 3.795 -9.834 -0.208
100 H LYS 15 H LYS 15 0.530 -9.811 3.197
101 HA LYS 15 HA LYS 15 1.241 -10.996 5.744
102 HB2 LYS 15 HB2 LYS 15 1.483 -8.543 6.078
103 HB3 LYS 15 HB3 LYS 15 -0.187 -8.324 5.596
104 HG2 LYS 15 HG2 LYS 15 -0.802 -10.008 7.464
105 HG3 LYS 15 HG3 LYS 15 0.851 -9.849 8.022
106 HD2 LYS 15 HD2 LYS 15 -0.253 -8.217 9.306
107 HD3 LYS 15 HD3 LYS 15 0.390 -7.262 7.985
108 HE2 LYS 15 HE2 LYS 15 -1.726 -7.084 6.907
109 HE3 LYS 15 HE3 LYS 15 -2.385 -8.469 7.756
110 HZ1 LYS 15 HZ1 LYS 15 -1.765 -6.829 9.760
111 HZ2 LYS 15 HZ2 LYS 15 -2.195 -5.751 8.611
112 HZ3 LYS 15 HZ3 LYS 15 -3.242 -6.918 9.070
113 H THR 16 H THR 16 -0.562 -12.033 6.776
114 HA THR 16 HA THR 16 -2.557 -12.854 4.877
115 HB THR 16 HB THR 16 -2.432 -13.555 7.838
116 HG1 THR 16 HG1 THR 16 -0.836 -14.434 5.534
117 HG21 THR 16 HG21 THR 16 -2.685 -15.890 6.483
118 HG22 THR 16 HG22 THR 16 -4.104 -14.907 6.917
119 HG23 THR 16 HG23 THR 16 -3.419 -14.806 5.278
120 H CYS 17 H CYS 17 -4.599 -12.160 4.626
121 HA CYS 17 HA CYS 17 -5.371 -9.882 6.191
122 HB2 CYS 17 HB2 CYS 17 -7.085 -11.222 4.116
123 HB3 CYS 17 HB3 CYS 17 -7.081 -9.546 4.627
124 H SER 18 H SER 18 -6.587 -10.035 8.048
125 HA SER 18 HA SER 18 -7.865 -12.599 8.528
126 HB2 SER 18 HB2 SER 18 -6.188 -11.740 10.197
127 HB3 SER 18 HB3 SER 18 -7.218 -10.354 10.491
128 HG SER 18 HG SER 18 -8.576 -11.552 11.671
129 H GLY 19 H GLY 19 -10.052 -12.695 8.185
130 HA2 GLY 19 HA2 GLY 19 -12.236 -12.103 8.342
131 HA3 GLY 19 HA3 GLY 19 -11.782 -10.614 9.147
132 H GLU 20 H GLU 20 -9.753 -10.449 6.614
133 HA GLU 20 HA GLU 20 -11.736 -9.037 5.025
134 HB2 GLU 20 HB2 GLU 20 -8.727 -8.732 4.767
135 HB3 GLU 20 HB3 GLU 20 -9.976 -7.608 4.269
136 HG2 GLU 20 HG2 GLU 20 -10.499 -7.009 6.543
137 HG3 GLU 20 HG3 GLU 20 -9.624 -8.382 7.191
138 H THR 21 H THR 21 -11.521 -9.133 2.616
139 HA THR 21 HA THR 21 -10.126 -11.535 1.679
140 HB THR 21 HB THR 21 -12.315 -11.932 0.302
141 HG1 THR 21 HG1 THR 21 -13.862 -10.446 0.842
142 HG21 THR 21 HG21 THR 21 -13.517 -12.986 2.275
143 HG22 THR 21 HG22 THR 21 -11.805 -13.461 2.167
144 HG23 THR 21 HG23 THR 21 -12.314 -12.233 3.350
145 H ASN 22 H ASN 22 -9.934 -8.410 1.605
146 HA ASN 22 HA ASN 22 -9.519 -8.394 -1.272
147 HB2 ASN 22 HB2 ASN 22 -10.704 -6.113 0.399
148 HB3 ASN 22 HB3 ASN 22 -10.256 -5.971 -1.290
149 HD21 ASN 22 HD21 ASN 22 -12.400 -7.507 1.018
150 HD22 ASN 22 HD22 ASN 22 -13.655 -7.968 -0.083
151 H CYS 23 H CYS 23 -7.784 -6.794 -1.911
152 HA CYS 23 HA CYS 23 -6.058 -6.160 0.372
153 HB2 CYS 23 HB2 CYS 23 -5.182 -6.809 -2.449
154 HB3 CYS 23 HB3 CYS 23 -4.140 -6.457 -1.085
155 H TYR 24 H TYR 24 -5.253 -4.025 0.464
156 HA TYR 24 HA TYR 24 -6.232 -2.248 -1.669
157 HB2 TYR 24 HB2 TYR 24 -6.641 -0.668 0.126
158 HB3 TYR 24 HB3 TYR 24 -7.162 -2.200 0.799
159 HD1 TYR 24 HD2 TYR 24 -4.511 0.369 0.857
160 HD2 TYR 24 HD1 TYR 24 -5.959 -3.248 2.624
161 HE1 TYR 24 HE2 TYR 24 -2.914 0.676 2.811
162 HE2 TYR 24 HE1 TYR 24 -4.358 -2.929 4.572
163 HH TYR 24 HH TYR 24 -3.220 -0.604 5.603
164 H LYS 25 H LYS 25 -4.867 -0.487 -2.316
165 HA LYS 25 HA LYS 25 -2.124 -0.643 -1.312
166 HB2 LYS 25 HB2 LYS 25 -2.013 -1.959 -3.287
167 HB3 LYS 25 HB3 LYS 25 -3.012 -0.842 -4.193
168 HG2 LYS 25 HG2 LYS 25 -1.143 0.925 -3.710
169 HG3 LYS 25 HG3 LYS 25 -0.150 -0.443 -3.246
170 HD2 LYS 25 HD2 LYS 25 -0.048 -1.298 -5.419
171 HD3 LYS 25 HD3 LYS 25 -1.609 -0.642 -5.870
172 HE2 LYS 25 HE2 LYS 25 0.374 0.511 -6.970
173 HE3 LYS 25 HE3 LYS 25 -0.712 1.592 -6.121
174 HZ1 LYS 25 HZ1 LYS 25 1.982 1.186 -5.654
175 HZ2 LYS 25 HZ2 LYS 25 0.972 2.201 -4.870
176 HZ3 LYS 25 HZ3 LYS 25 1.191 0.679 -4.319
177 H LYS 26 H LYS 26 -1.581 1.309 -0.516
178 HA LYS 26 HA LYS 26 -2.940 3.630 -1.691
179 HB2 LYS 26 HB2 LYS 26 -3.340 3.049 0.752
180 HB3 LYS 26 HB3 LYS 26 -1.662 3.457 1.047
181 HG2 LYS 26 HG2 LYS 26 -2.233 5.707 -0.209
182 HG3 LYS 26 HG3 LYS 26 -3.902 5.275 0.104
183 HD2 LYS 26 HD2 LYS 26 -1.751 6.077 2.036
184 HD3 LYS 26 HD3 LYS 26 -3.455 6.488 2.037
185 HE2 LYS 26 HE2 LYS 26 -2.203 3.840 2.891
186 HE3 LYS 26 HE3 LYS 26 -3.044 4.989 3.913
187 HZ1 LYS 26 HZ1 LYS 26 -4.618 4.151 1.708
188 HZ2 LYS 26 HZ2 LYS 26 -4.167 2.895 2.649
189 HZ3 LYS 26 HZ3 LYS 26 -4.980 4.152 3.300
190 H TRP 27 H TRP 27 -1.727 5.418 -2.379
191 HA TRP 27 HA TRP 27 1.098 5.485 -1.946
192 HB2 TRP 27 HB2 TRP 27 1.861 5.156 -4.153
193 HB3 TRP 27 HB3 TRP 27 0.893 3.759 -3.726
194 HD1 TRP 27 HD1 TRP 27 0.990 6.646 -6.213
195 HE1 TRP 27 HE1 TRP 27 -0.886 6.420 -8.055
196 HE3 TRP 27 HE3 TRP 27 -1.501 2.830 -3.957
197 HZ2 TRP 27 HZ2 TRP 27 -3.150 4.709 -8.355
198 HZ3 TRP 27 HZ3 TRP 27 -3.535 1.940 -5.091
199 HH2 TRP 27 HH2 TRP 27 -4.367 2.817 -7.215
200 H TRP 28 H TRP 28 1.891 7.602 -2.395
201 HA TRP 28 HA TRP 28 0.287 9.443 -3.885
202 HB2 TRP 28 HB2 TRP 28 -0.241 10.967 -2.107
203 HB3 TRP 28 HB3 TRP 28 -0.984 9.409 -1.801
204 HD1 TRP 28 HD1 TRP 28 1.380 11.891 -0.216
205 HE1 TRP 28 HE1 TRP 28 2.245 11.090 2.145
206 HE3 TRP 28 HE3 TRP 28 -0.350 7.126 -0.616
207 HZ2 TRP 28 HZ2 TRP 28 2.111 8.609 3.549
208 HZ3 TRP 28 HZ3 TRP 28 0.059 5.578 1.295
209 HH2 TRP 28 HH2 TRP 28 1.242 6.252 3.325
210 H SER 29 H SER 29 1.417 11.733 -3.641
211 HA SER 29 HA SER 29 4.264 11.157 -3.591
212 HB2 SER 29 HB2 SER 29 3.087 12.116 -5.679
213 HB3 SER 29 HB3 SER 29 2.910 13.610 -4.780
214 HG SER 29 HG SER 29 5.327 12.312 -5.653
215 H ASP 30 H ASP 30 5.736 12.757 -2.585
216 HA ASP 30 HA ASP 30 4.423 14.642 -0.837
217 HB2 ASP 30 HB2 ASP 30 6.448 12.562 0.117
218 HB3 ASP 30 HB3 ASP 30 5.849 13.889 1.093
219 H HIS 31 H HIS 31 6.250 16.067 0.265
220 HA HIS 31 HA HIS 31 7.962 16.960 -1.778
221 HB2 HIS 31 HB2 HIS 31 7.907 17.639 1.176
222 HB3 HIS 31 HB3 HIS 31 8.794 18.523 -0.050
223 HD1 HIS 31 HD1 HIS 31 6.401 19.664 1.764
224 HD2 HIS 31 HD2 HIS 31 6.135 18.450 -2.243
225 HE1 HIS 31 HE1 HIS 31 4.382 20.877 0.782
226 HE2 HIS 31 HE2 HIS 31 4.302 20.133 -1.696
227 H ARG 32 H ARG 32 8.160 14.305 0.343
228 HA ARG 32 HA ARG 32 11.055 14.432 0.363
229 HB2 ARG 32 HB2 ARG 32 9.142 12.535 1.817
230 HB3 ARG 32 HB3 ARG 32 10.885 12.528 2.000
231 HG2 ARG 32 HG2 ARG 32 9.090 14.919 2.630
232 HG3 ARG 32 HG3 ARG 32 9.702 13.795 3.827
233 HD2 ARG 32 HD2 ARG 32 11.346 15.665 2.061
234 HD3 ARG 32 HD3 ARG 32 11.164 15.749 3.802
235 HE ARG 32 HE ARG 32 12.895 13.903 2.308
236 HH11 ARG 32 HH22 ARG 32 11.295 14.543 5.376
237 HH12 ARG 32 HH21 ARG 32 12.374 13.545 6.293
238 HH21 ARG 32 HH12 ARG 32 14.318 12.587 3.517
239 HH22 ARG 32 HH11 ARG 32 14.106 12.425 5.228
240 H GLY 33 H GLY 33 8.246 12.756 -0.989
241 HA2 GLY 33 HA2 GLY 33 9.316 11.697 -3.189
242 HA3 GLY 33 HA3 GLY 33 9.809 10.518 -1.991
243 H THR 34 H THR 34 8.310 9.252 -3.635
244 HA THR 34 HA THR 34 5.487 9.636 -3.123
245 HB THR 34 HB THR 34 7.194 7.806 -4.870
246 HG1 THR 34 HG1 THR 34 6.343 9.259 -6.391
247 HG21 THR 34 HG21 THR 34 5.412 6.325 -4.753
248 HG22 THR 34 HG22 THR 34 4.322 7.547 -4.056
249 HG23 THR 34 HG23 THR 34 4.627 7.523 -5.810
250 H ILE 35 H ILE 35 4.529 8.921 -1.335
251 HA ILE 35 HA ILE 35 5.785 6.724 0.092
252 HB ILE 35 HB ILE 35 3.492 8.547 0.830
253 HG12 ILE 35 HG12 ILE 35 6.449 8.633 1.456
254 HG13 ILE 35 HG13 ILE 35 5.473 9.860 0.674
255 HG21 ILE 35 HG21 ILE 35 3.814 7.677 3.110
256 HG22 ILE 35 HG22 ILE 35 3.304 6.410 1.969
257 HG23 ILE 35 HG23 ILE 35 5.004 6.510 2.488
258 HD11 ILE 35 HD11 ILE 35 5.270 8.953 3.580
259 HD12 ILE 35 HD12 ILE 35 5.832 10.534 2.985
260 HD13 ILE 35 HD13 ILE 35 4.122 10.073 2.808
261 H ILE 36 H ILE 36 4.951 4.673 0.248
262 HA ILE 36 HA ILE 36 2.323 4.257 -0.985
263 HB ILE 36 HB ILE 36 4.663 2.401 -1.367
264 HG12 ILE 36 HG12 ILE 36 3.709 4.591 -3.236
265 HG13 ILE 36 HG13 ILE 36 5.228 4.574 -2.362
266 HG21 ILE 36 HG21 ILE 36 3.285 1.100 -2.568
267 HG22 ILE 36 HG22 ILE 36 1.996 1.938 -1.672
268 HG23 ILE 36 HG23 ILE 36 2.445 2.485 -3.305
269 HD11 ILE 36 HD11 ILE 36 5.618 3.796 -4.647
270 HD12 ILE 36 HD12 ILE 36 5.842 2.426 -3.533
271 HD13 ILE 36 HD13 ILE 36 4.343 2.565 -4.483
272 H GLU 37 H GLU 37 0.929 3.157 0.300
273 HA GLU 37 HA GLU 37 2.133 1.541 2.401
274 HB2 GLU 37 HB2 GLU 37 0.113 3.761 2.655
275 HB3 GLU 37 HB3 GLU 37 -0.037 2.386 3.731
276 HG2 GLU 37 HG2 GLU 37 2.499 2.718 4.233
277 HG3 GLU 37 HG3 GLU 37 2.334 4.274 3.443
278 H ARG 38 H ARG 38 1.498 -0.547 2.102
279 HA ARG 38 HA ARG 38 -1.160 -0.912 0.971
280 HB2 ARG 38 HB2 ARG 38 1.164 -2.890 0.815
281 HB3 ARG 38 HB3 ARG 38 -0.350 -2.980 -0.062
282 HG2 ARG 38 HG2 ARG 38 0.200 -1.023 -1.395
283 HG3 ARG 38 HG3 ARG 38 1.573 -0.636 -0.377
284 HD2 ARG 38 HD2 ARG 38 2.915 -2.318 -1.293
285 HD3 ARG 38 HD3 ARG 38 1.555 -3.360 -1.658
286 HE ARG 38 HE ARG 38 1.043 -1.942 -3.603
287 HH11 ARG 38 HH22 ARG 38 4.129 -1.323 -2.030
288 HH12 ARG 38 HH21 ARG 38 4.822 -0.540 -3.411
289 HH21 ARG 38 HH12 ARG 38 1.956 -0.908 -5.425
290 HH22 ARG 38 HH11 ARG 38 3.577 -0.302 -5.355
291 H GLY 39 H GLY 39 -2.250 -3.031 1.678
292 HA2 GLY 39 HA2 GLY 39 -1.322 -4.480 3.913
293 HA3 GLY 39 HA3 GLY 39 -2.389 -3.203 4.461
294 H CYS 40 H CYS 40 -3.448 -5.512 5.063
295 HA CYS 40 HA CYS 40 -4.914 -6.622 2.854
296 HB2 CYS 40 HB2 CYS 40 -4.615 -7.288 5.762
297 HB3 CYS 40 HB3 CYS 40 -5.963 -7.946 4.856
298 H GLY 41 H GLY 41 -7.296 -6.620 2.775
299 HA2 GLY 41 HA2 GLY 41 -9.390 -5.883 3.471
300 HA3 GLY 41 HA3 GLY 41 -8.644 -4.699 4.527
301 H CYS 42 H CYS 42 -10.341 -3.274 3.427
302 HA CYS 42 HA CYS 42 -9.040 -1.976 1.183
303 HB2 CYS 42 HB2 CYS 42 -10.556 -3.426 0.041
304 HB3 CYS 42 HB3 CYS 42 -11.874 -3.014 1.119
305 HA PRO 43 HA PRO 43 -10.553 0.728 4.647
306 HB2 PRO 43 HB2 PRO 43 -8.223 2.154 4.773
307 HB3 PRO 43 HB3 PRO 43 -8.427 0.567 5.604
308 HG2 PRO 43 HG2 PRO 43 -7.168 1.181 2.949
309 HG3 PRO 43 HG3 PRO 43 -6.551 0.158 4.300
310 HD2 PRO 43 HD2 PRO 43 -7.771 -0.891 2.147
311 HD3 PRO 43 HD3 PRO 43 -7.987 -1.571 3.803
312 H LYS 44 H LYS 44 -10.277 3.317 4.690
313 HA LYS 44 HA LYS 44 -10.725 4.185 1.920
314 HB2 LYS 44 HB2 LYS 44 -12.668 4.164 3.632
315 HB3 LYS 44 HB3 LYS 44 -11.868 5.542 4.360
316 HG2 LYS 44 HG2 LYS 44 -13.194 6.679 2.840
317 HG3 LYS 44 HG3 LYS 44 -11.797 6.412 1.816
318 HD2 LYS 44 HD2 LYS 44 -13.457 5.595 0.409
319 HD3 LYS 44 HD3 LYS 44 -13.041 4.113 1.247
320 HE2 LYS 44 HE2 LYS 44 -15.410 5.951 1.780
321 HE3 LYS 44 HE3 LYS 44 -15.447 4.266 1.300
322 HZ1 LYS 44 HZ1 LYS 44 -14.337 5.214 3.849
323 HZ2 LYS 44 HZ2 LYS 44 -15.849 4.623 3.668
324 HZ3 LYS 44 HZ3 LYS 44 -14.558 3.658 3.404
325 H VAL 45 H VAL 45 -9.669 6.030 1.166
326 HA VAL 45 HA VAL 45 -7.648 7.087 3.021
327 HB VAL 45 HB VAL 45 -6.212 7.407 1.132
328 HG11 VAL 45 HG11 VAL 45 -7.430 4.625 1.064
329 HG12 VAL 45 HG12 VAL 45 -5.826 5.077 0.440
330 HG13 VAL 45 HG13 VAL 45 -6.168 5.194 2.183
331 HG21 VAL 45 HG21 VAL 45 -7.477 8.011 -0.704
332 HG22 VAL 45 HG22 VAL 45 -7.053 6.333 -1.121
333 HG23 VAL 45 HG23 VAL 45 -8.662 6.705 -0.456
334 H LYS 46 H LYS 46 -7.006 9.402 2.542
335 HA LYS 46 HA LYS 46 -9.441 10.914 2.151
336 HB2 LYS 46 HB2 LYS 46 -6.741 12.065 2.830
337 HB3 LYS 46 HB3 LYS 46 -8.333 12.688 3.214
338 HG2 LYS 46 HG2 LYS 46 -8.622 10.431 4.561
339 HG3 LYS 46 HG3 LYS 46 -6.874 10.342 4.468
340 HD2 LYS 46 HD2 LYS 46 -8.502 12.632 5.665
341 HD3 LYS 46 HD3 LYS 46 -7.550 11.463 6.557
342 HE2 LYS 46 HE2 LYS 46 -6.385 13.393 4.494
343 HE3 LYS 46 HE3 LYS 46 -6.391 13.693 6.221
344 HZ1 LYS 46 HZ1 LYS 46 -5.320 11.303 6.181
345 HZ2 LYS 46 HZ2 LYS 46 -4.823 11.808 4.709
346 HZ3 LYS 46 HZ3 LYS 46 -4.425 12.662 6.043
347 HA PRO 47 HA PRO 47 -8.881 12.608 -1.801
348 HB2 PRO 47 HB2 PRO 47 -8.409 15.286 -0.544
349 HB3 PRO 47 HB3 PRO 47 -9.622 14.792 -1.783
350 HG2 PRO 47 HG2 PRO 47 -10.352 15.195 0.728
351 HG3 PRO 47 HG3 PRO 47 -10.982 13.779 -0.194
352 HD2 PRO 47 HD2 PRO 47 -8.780 13.911 1.844
353 HD3 PRO 47 HD3 PRO 47 -10.113 12.709 1.670
354 H GLY 48 H GLY 48 -7.096 12.716 -3.225
355 HA2 GLY 48 HA2 GLY 48 -5.062 13.690 -3.913
356 HA3 GLY 48 HA3 GLY 48 -4.621 13.968 -2.240
357 H VAL 49 H VAL 49 -5.448 11.304 -1.249
358 HA VAL 49 HA VAL 49 -3.066 9.895 -2.044
359 HB VAL 49 HB VAL 49 -5.177 8.897 -0.154
360 HG11 VAL 49 HG11 VAL 49 -3.014 8.163 1.053
361 HG12 VAL 49 HG12 VAL 49 -3.479 7.306 -0.437
362 HG13 VAL 49 HG13 VAL 49 -2.197 8.540 -0.483
363 HG21 VAL 49 HG21 VAL 49 -5.017 10.790 1.040
364 HG22 VAL 49 HG22 VAL 49 -3.372 10.248 1.452
365 HG23 VAL 49 HG23 VAL 49 -3.625 11.372 0.095
366 H ASN 50 H ASN 50 -2.992 7.821 -3.028
367 HA ASN 50 HA ASN 50 -5.372 7.306 -4.595
368 HB2 ASN 50 HB2 ASN 50 -2.435 6.546 -4.860
369 HB3 ASN 50 HB3 ASN 50 -3.650 5.669 -5.769
370 HD21 ASN 50 HD21 ASN 50 -1.829 8.547 -5.443
371 HD22 ASN 50 HD22 ASN 50 -2.421 9.410 -6.824
372 H LEU 51 H LEU 51 -6.373 5.188 -4.561
373 HA LEU 51 HA LEU 51 -5.193 3.204 -2.790
374 HB2 LEU 51 HB2 LEU 51 -6.564 4.402 -1.273
375 HB3 LEU 51 HB3 LEU 51 -7.898 4.472 -2.408
376 HG LEU 51 HG LEU 51 -8.211 2.035 -2.209
377 HD11 LEU 51 HD11 LEU 51 -6.836 1.322 0.101
378 HD12 LEU 51 HD12 LEU 51 -6.483 0.793 -1.562
379 HD13 LEU 51 HD13 LEU 51 -5.632 2.198 -0.875
380 HD21 LEU 51 HD21 LEU 51 -8.369 2.525 0.609
381 HD22 LEU 51 HD22 LEU 51 -8.782 4.019 -0.267
382 HD23 LEU 51 HD23 LEU 51 -9.668 2.513 -0.609
383 H ASN 52 H ASN 52 -5.647 1.081 -3.410
384 HA ASN 52 HA ASN 52 -7.520 0.811 -5.610
385 HB2 ASN 52 HB2 ASN 52 -5.548 0.776 -6.898
386 HB3 ASN 52 HB3 ASN 52 -4.575 0.142 -5.585
387 HD21 ASN 52 HD21 ASN 52 -7.023 -0.622 -7.990
388 HD22 ASN 52 HD22 ASN 52 -6.733 -2.327 -8.094
389 H CYS 53 H CYS 53 -8.961 -0.804 -4.986
390 HA CYS 53 HA CYS 53 -7.958 -2.797 -3.093
391 HB2 CYS 53 HB2 CYS 53 -10.809 -1.925 -3.605
392 HB3 CYS 53 HB3 CYS 53 -10.297 -3.132 -2.443
393 H CYS 54 H CYS 54 -8.374 -5.041 -3.552
394 HA CYS 54 HA CYS 54 -9.786 -5.685 -5.971
395 HB2 CYS 54 HB2 CYS 54 -7.728 -7.113 -6.691
396 HB3 CYS 54 HB3 CYS 54 -7.866 -5.432 -7.167
397 H ARG 55 H ARG 55 -9.896 -8.181 -6.162
398 HA ARG 55 HA ARG 55 -9.798 -9.255 -3.460
399 HB2 ARG 55 HB2 ARG 55 -11.586 -10.006 -5.827
400 HB3 ARG 55 HB3 ARG 55 -11.580 -10.868 -4.302
401 HG2 ARG 55 HG2 ARG 55 -12.615 -9.127 -3.142
402 HG3 ARG 55 HG3 ARG 55 -11.932 -7.884 -4.171
403 HD2 ARG 55 HD2 ARG 55 -14.054 -9.848 -5.152
404 HD3 ARG 55 HD3 ARG 55 -14.457 -8.299 -4.438
405 HE ARG 55 HE ARG 55 -13.368 -8.751 -7.106
406 HH11 ARG 55 HH22 ARG 55 -13.590 -6.417 -4.481
407 HH12 ARG 55 HH21 ARG 55 -13.340 -5.045 -5.509
408 HH21 ARG 55 HH12 ARG 55 -13.039 -6.941 -8.462
409 HH22 ARG 55 HH11 ARG 55 -13.025 -5.346 -7.789
410 H THR 56 H THR 56 -7.396 -9.297 -4.849
411 HA THR 56 HA THR 56 -7.158 -12.145 -5.525
412 HB THR 56 HB THR 56 -5.391 -11.164 -7.264
413 HG1 THR 56 HG1 THR 56 -7.268 -9.089 -7.586
414 HG21 THR 56 HG21 THR 56 -7.199 -10.866 -8.989
415 HG22 THR 56 HG22 THR 56 -7.439 -12.347 -8.031
416 HG23 THR 56 HG23 THR 56 -8.415 -10.898 -7.689
417 H ASP 57 H ASP 57 -5.255 -13.158 -4.876
418 HA ASP 57 HA ASP 57 -4.133 -12.132 -2.584
419 HB2 ASP 57 HB2 ASP 57 -3.026 -14.210 -4.532
420 HB3 ASP 57 HB3 ASP 57 -2.415 -13.960 -2.908
421 H ARG 58 H ARG 58 -2.118 -11.032 -2.196
422 HA ARG 58 HA ARG 58 -0.656 -9.481 -2.670
423 HB2 ARG 58 HB2 ARG 58 0.388 -11.319 -4.861
424 HB3 ARG 58 HB3 ARG 58 1.316 -10.310 -3.769
425 HG2 ARG 58 HG2 ARG 58 0.245 -11.797 -1.867
426 HG3 ARG 58 HG3 ARG 58 -0.114 -12.918 -3.166
427 HD2 ARG 58 HD2 ARG 58 2.198 -13.253 -3.685
428 HD3 ARG 58 HD3 ARG 58 2.693 -11.798 -2.844
429 HE ARG 58 HE ARG 58 1.562 -13.288 -0.821
430 HH11 ARG 58 HH22 ARG 58 4.003 -14.008 -3.251
431 HH12 ARG 58 HH21 ARG 58 4.832 -15.163 -2.261
432 HH21 ARG 58 HH12 ARG 58 2.656 -14.811 0.486
433 HH22 ARG 58 HH11 ARG 58 4.060 -15.622 -0.121
434 H CYS 59 H CYS 59 -3.100 -9.016 -4.103
435 HA CYS 59 HA CYS 59 -2.353 -8.359 -6.807
436 HB2 CYS 59 HB2 CYS 59 -4.633 -7.808 -7.154
437 HB3 CYS 59 HB3 CYS 59 -4.574 -9.310 -6.253
438 H ASN 60 H ASN 60 -2.482 -6.948 -3.599
439 HA ASN 60 HA ASN 60 -2.503 -4.272 -4.676
440 HB2 ASN 60 HB2 ASN 60 -2.656 -3.554 -2.325
441 HB3 ASN 60 HB3 ASN 60 -3.822 -4.834 -2.599
442 HD21 ASN 60 HD21 ASN 60 -2.149 -3.790 -0.258
443 HD22 ASN 60 HD22 ASN 60 -1.480 -5.208 0.479
444 H ASN 61 H ASN 61 -0.261 -5.617 -5.584
445 HA ASN 61 HA ASN 61 1.863 -5.273 -3.696
446 HB2 ASN 61 HB2 ASN 61 3.288 -6.147 -5.592
447 HB3 ASN 61 HB3 ASN 61 1.949 -7.211 -5.209
448 HD21 ASN 61 HD21 ASN 61 3.557 -6.653 -7.682
449 HD22 ASN 61 HD22 ASN 61 2.405 -6.362 -8.942
Start of MODEL 9
1 H1 LEU 1 H1 LEU 1 -5.365 -15.397 2.721
2 H2 LEU 1 H2 LEU 1 -6.415 -16.078 1.637
3 H3 LEU 1 H3 LEU 1 -6.941 -14.892 2.666
4 HA LEU 1 HA LEU 1 -5.464 -14.731 0.235
5 HB2 LEU 1 HB2 LEU 1 -7.734 -14.036 0.233
6 HB3 LEU 1 HB3 LEU 1 -7.511 -13.038 1.657
7 HG LEU 1 HG LEU 1 -5.835 -11.697 0.182
8 HD11 LEU 1 HD11 LEU 1 -7.392 -13.216 -1.923
9 HD12 LEU 1 HD12 LEU 1 -6.502 -11.707 -2.237
10 HD13 LEU 1 HD13 LEU 1 -5.627 -13.158 -1.692
11 HD21 LEU 1 HD21 LEU 1 -7.692 -10.523 0.881
12 HD22 LEU 1 HD22 LEU 1 -7.887 -10.488 -0.887
13 HD23 LEU 1 HD23 LEU 1 -8.834 -11.636 0.090
14 H GLU 2 H GLU 2 -3.647 -13.510 -0.131
15 HA GLU 2 HA GLU 2 -2.570 -12.231 2.256
16 HB2 GLU 2 HB2 GLU 2 -0.937 -13.035 -0.172
17 HB3 GLU 2 HB3 GLU 2 -0.375 -12.727 1.459
18 HG2 GLU 2 HG2 GLU 2 -2.252 -15.025 0.739
19 HG3 GLU 2 HG3 GLU 2 -0.509 -15.192 0.809
20 H CYS 3 H CYS 3 -1.641 -10.108 2.091
21 HA CYS 3 HA CYS 3 -2.069 -8.781 -0.471
22 HB2 CYS 3 HB2 CYS 3 -2.881 -7.488 2.129
23 HB3 CYS 3 HB3 CYS 3 -3.164 -6.914 0.498
24 H HIS 4 H HIS 4 -0.403 -7.305 -0.953
25 HA HIS 4 HA HIS 4 1.973 -7.561 0.478
26 HB2 HIS 4 HB2 HIS 4 0.989 -5.834 -1.763
27 HB3 HIS 4 HB3 HIS 4 2.501 -5.410 -0.985
28 HD1 HIS 4 HD1 HIS 4 4.539 -6.994 -1.339
29 HD2 HIS 4 HD2 HIS 4 1.035 -8.237 -3.281
30 HE1 HIS 4 HE1 HIS 4 5.237 -8.833 -2.965
31 HE2 HIS 4 HE2 HIS 4 3.034 -9.595 -4.089
32 H ASN 5 H ASN 5 3.157 -5.997 1.759
33 HA ASN 5 HA ASN 5 1.461 -3.896 2.837
34 HB2 ASN 5 HB2 ASN 5 2.071 -4.441 5.110
35 HB3 ASN 5 HB3 ASN 5 1.602 -5.961 4.376
36 HD21 ASN 5 HD21 ASN 5 2.867 -7.581 4.820
37 HD22 ASN 5 HD22 ASN 5 4.574 -7.543 5.109
38 H GLN 6 H GLN 6 3.907 -4.337 0.905
39 HA GLN 6 HA GLN 6 6.171 -3.374 2.186
40 HB2 GLN 6 HB2 GLN 6 7.152 -3.438 0.086
41 HB3 GLN 6 HB3 GLN 6 5.775 -4.484 -0.200
42 HG2 GLN 6 HG2 GLN 6 4.590 -2.125 -0.798
43 HG3 GLN 6 HG3 GLN 6 6.246 -1.661 -1.136
44 HE21 GLN 6 HE21 GLN 6 7.463 -3.696 -2.215
45 HE22 GLN 6 HE22 GLN 6 6.704 -4.273 -3.662
46 H GLN 7 H GLN 7 7.080 -1.269 2.364
47 HA GLN 7 HA GLN 7 5.110 0.832 1.931
48 HB2 GLN 7 HB2 GLN 7 6.891 2.014 3.592
49 HB3 GLN 7 HB3 GLN 7 5.534 1.068 4.172
50 HG2 GLN 7 HG2 GLN 7 8.202 -0.254 3.558
51 HG3 GLN 7 HG3 GLN 7 7.923 0.525 5.102
52 HE21 GLN 7 HE21 GLN 7 8.195 -2.340 4.015
53 HE22 GLN 7 HE22 GLN 7 6.918 -3.223 4.783
54 H SER 8 H SER 8 5.593 2.572 0.598
55 HA SER 8 HA SER 8 6.581 3.596 -1.054
56 HB2 SER 8 HB2 SER 8 9.155 3.386 0.555
57 HB3 SER 8 HB3 SER 8 8.687 4.669 -0.543
58 HG SER 8 HG SER 8 7.149 4.045 1.821
59 H SER 9 H SER 9 9.779 3.156 -1.273
60 HA SER 9 HA SER 9 9.456 1.102 -3.253
61 HB2 SER 9 HB2 SER 9 12.023 2.575 -2.553
62 HB3 SER 9 HB3 SER 9 11.618 1.788 -4.066
63 HG SER 9 HG SER 9 10.965 3.734 -4.678
64 H GLN 10 H GLN 10 9.669 0.894 -0.052
65 HA GLN 10 HA GLN 10 11.984 -0.490 0.502
66 HB2 GLN 10 HB2 GLN 10 9.253 -0.883 1.803
67 HB3 GLN 10 HB3 GLN 10 10.806 -1.268 2.519
68 HG2 GLN 10 HG2 GLN 10 10.380 1.551 1.535
69 HG3 GLN 10 HG3 GLN 10 9.557 1.070 3.006
70 HE21 GLN 10 HE21 GLN 10 10.596 1.320 4.825
71 HE22 GLN 10 HE22 GLN 10 12.310 1.421 5.051
72 HA PRO 11 HA PRO 11 11.731 -4.629 -0.852
73 HB2 PRO 11 HB2 PRO 11 11.422 -5.514 1.994
74 HB3 PRO 11 HB3 PRO 11 12.643 -6.003 0.760
75 HG2 PRO 11 HG2 PRO 11 13.297 -4.345 2.714
76 HG3 PRO 11 HG3 PRO 11 13.850 -4.036 1.025
77 HD2 PRO 11 HD2 PRO 11 11.582 -2.795 2.556
78 HD3 PRO 11 HD3 PRO 11 12.821 -2.014 1.504
79 HA PRO 12 HA PRO 12 7.316 -5.293 -1.137
80 HB2 PRO 12 HB2 PRO 12 8.348 -7.796 -2.421
81 HB3 PRO 12 HB3 PRO 12 7.152 -6.593 -3.034
82 HG2 PRO 12 HG2 PRO 12 9.620 -6.643 -3.986
83 HG3 PRO 12 HG3 PRO 12 8.817 -5.075 -3.599
84 HD2 PRO 12 HD2 PRO 12 10.841 -6.632 -2.018
85 HD3 PRO 12 HD3 PRO 12 10.765 -4.863 -2.360
86 H THR 13 H THR 13 6.044 -6.170 0.525
87 HA THR 13 HA THR 13 6.836 -8.797 1.577
88 HB THR 13 HB THR 13 6.039 -7.715 3.852
89 HG1 THR 13 HG1 THR 13 6.425 -5.361 3.717
90 HG21 THR 13 HG21 THR 13 8.640 -6.864 2.475
91 HG22 THR 13 HG22 THR 13 8.301 -6.613 4.204
92 HG23 THR 13 HG23 THR 13 8.422 -8.265 3.551
93 H THR 14 H THR 14 4.936 -9.628 3.076
94 HA THR 14 HA THR 14 2.358 -8.831 1.974
95 HB THR 14 HB THR 14 1.986 -11.422 1.620
96 HG1 THR 14 HG1 THR 14 4.002 -12.511 1.375
97 HG21 THR 14 HG21 THR 14 3.168 -11.346 -0.646
98 HG22 THR 14 HG22 THR 14 2.065 -9.979 -0.358
99 HG23 THR 14 HG23 THR 14 3.822 -9.758 -0.179
100 H LYS 15 H LYS 15 0.528 -9.668 3.212
101 HA LYS 15 HA LYS 15 1.231 -10.808 5.785
102 HB2 LYS 15 HB2 LYS 15 0.213 -9.077 7.086
103 HB3 LYS 15 HB3 LYS 15 1.434 -8.344 6.066
104 HG2 LYS 15 HG2 LYS 15 -0.182 -7.399 4.587
105 HG3 LYS 15 HG3 LYS 15 -1.447 -8.488 5.121
106 HD2 LYS 15 HD2 LYS 15 -2.020 -6.478 6.211
107 HD3 LYS 15 HD3 LYS 15 -1.163 -7.352 7.465
108 HE2 LYS 15 HE2 LYS 15 0.947 -6.124 6.857
109 HE3 LYS 15 HE3 LYS 15 0.062 -5.228 5.638
110 HZ1 LYS 15 HZ1 LYS 15 -0.147 -5.056 8.529
111 HZ2 LYS 15 HZ2 LYS 15 -0.078 -3.856 7.423
112 HZ3 LYS 15 HZ3 LYS 15 -1.465 -4.693 7.634
113 H THR 16 H THR 16 -0.565 -11.850 6.822
114 HA THR 16 HA THR 16 -2.531 -12.741 4.923
115 HB THR 16 HB THR 16 -2.421 -13.375 7.900
116 HG1 THR 16 HG1 THR 16 -0.894 -14.601 5.729
117 HG21 THR 16 HG21 THR 16 -2.636 -15.742 6.596
118 HG22 THR 16 HG22 THR 16 -4.070 -14.767 6.998
119 HG23 THR 16 HG23 THR 16 -3.375 -14.694 5.361
120 H CYS 17 H CYS 17 -4.637 -12.187 4.714
121 HA CYS 17 HA CYS 17 -5.442 -9.850 6.195
122 HB2 CYS 17 HB2 CYS 17 -7.115 -11.266 4.139
123 HB3 CYS 17 HB3 CYS 17 -7.147 -9.580 4.614
124 H SER 18 H SER 18 -6.661 -9.992 8.049
125 HA SER 18 HA SER 18 -7.897 -12.570 8.569
126 HB2 SER 18 HB2 SER 18 -6.258 -11.720 10.244
127 HB3 SER 18 HB3 SER 18 -7.230 -10.280 10.472
128 HG SER 18 HG SER 18 -8.251 -11.405 11.974
129 H GLY 19 H GLY 19 -10.080 -12.705 8.214
130 HA2 GLY 19 HA2 GLY 19 -12.273 -12.146 8.342
131 HA3 GLY 19 HA3 GLY 19 -11.851 -10.650 9.149
132 H GLU 20 H GLU 20 -9.806 -10.483 6.616
133 HA GLU 20 HA GLU 20 -11.794 -9.081 5.023
134 HB2 GLU 20 HB2 GLU 20 -8.788 -8.766 4.756
135 HB3 GLU 20 HB3 GLU 20 -10.043 -7.644 4.268
136 HG2 GLU 20 HG2 GLU 20 -10.645 -7.258 6.657
137 HG3 GLU 20 HG3 GLU 20 -9.423 -8.408 7.161
138 H THR 21 H THR 21 -11.539 -9.164 2.605
139 HA THR 21 HA THR 21 -10.147 -11.570 1.679
140 HB THR 21 HB THR 21 -12.336 -11.975 0.297
141 HG1 THR 21 HG1 THR 21 -12.980 -9.708 1.272
142 HG21 THR 21 HG21 THR 21 -11.813 -13.507 2.156
143 HG22 THR 21 HG22 THR 21 -12.329 -12.287 3.344
144 HG23 THR 21 HG23 THR 21 -13.528 -13.043 2.268
145 H ASN 22 H ASN 22 -9.976 -8.442 1.598
146 HA ASN 22 HA ASN 22 -9.566 -8.428 -1.280
147 HB2 ASN 22 HB2 ASN 22 -10.742 -6.151 0.401
148 HB3 ASN 22 HB3 ASN 22 -10.295 -6.000 -1.287
149 HD21 ASN 22 HD21 ASN 22 -12.441 -7.540 1.014
150 HD22 ASN 22 HD22 ASN 22 -13.697 -7.995 -0.089
151 H CYS 23 H CYS 23 -7.834 -6.826 -1.927
152 HA CYS 23 HA CYS 23 -6.091 -6.205 0.346
153 HB2 CYS 23 HB2 CYS 23 -5.248 -6.856 -2.485
154 HB3 CYS 23 HB3 CYS 23 -4.185 -6.484 -1.142
155 H TYR 24 H TYR 24 -5.263 -4.073 0.432
156 HA TYR 24 HA TYR 24 -6.252 -2.285 -1.687
157 HB2 TYR 24 HB2 TYR 24 -6.673 -0.715 0.112
158 HB3 TYR 24 HB3 TYR 24 -7.188 -2.251 0.780
159 HD1 TYR 24 HD2 TYR 24 -4.531 0.317 0.834
160 HD2 TYR 24 HD1 TYR 24 -6.001 -3.284 2.617
161 HE1 TYR 24 HE2 TYR 24 -2.939 0.627 2.791
162 HE2 TYR 24 HE1 TYR 24 -4.403 -2.962 4.568
163 HH TYR 24 HH TYR 24 -3.219 -1.221 5.653
164 H LYS 25 H LYS 25 -4.885 -0.521 -2.322
165 HA LYS 25 HA LYS 25 -2.149 -0.669 -1.301
166 HB2 LYS 25 HB2 LYS 25 -1.996 -1.995 -3.258
167 HB3 LYS 25 HB3 LYS 25 -3.018 -0.914 -4.183
168 HG2 LYS 25 HG2 LYS 25 -1.183 0.899 -3.714
169 HG3 LYS 25 HG3 LYS 25 -0.163 -0.448 -3.248
170 HD2 LYS 25 HD2 LYS 25 0.287 -0.078 -5.575
171 HD3 LYS 25 HD3 LYS 25 -0.707 -1.520 -5.513
172 HE2 LYS 25 HE2 LYS 25 -2.708 0.264 -5.744
173 HE3 LYS 25 HE3 LYS 25 -1.444 1.256 -6.444
174 HZ1 LYS 25 HZ1 LYS 25 -0.961 -0.627 -7.931
175 HZ2 LYS 25 HZ2 LYS 25 -2.266 -1.415 -7.345
176 HZ3 LYS 25 HZ3 LYS 25 -2.455 -0.005 -8.146
177 H LYS 26 H LYS 26 -1.604 1.292 -0.529
178 HA LYS 26 HA LYS 26 -2.964 3.599 -1.731
179 HB2 LYS 26 HB2 LYS 26 -3.376 3.029 0.719
180 HB3 LYS 26 HB3 LYS 26 -1.706 3.466 1.018
181 HG2 LYS 26 HG2 LYS 26 -2.160 5.724 -0.048
182 HG3 LYS 26 HG3 LYS 26 -3.848 5.277 -0.192
183 HD2 LYS 26 HD2 LYS 26 -2.259 5.937 2.274
184 HD3 LYS 26 HD3 LYS 26 -3.892 6.410 1.848
185 HE2 LYS 26 HE2 LYS 26 -4.249 4.834 3.571
186 HE3 LYS 26 HE3 LYS 26 -4.492 3.875 2.124
187 HZ1 LYS 26 HZ1 LYS 26 -2.661 2.705 2.533
188 HZ2 LYS 26 HZ2 LYS 26 -1.777 3.990 3.018
189 HZ3 LYS 26 HZ3 LYS 26 -2.792 3.255 4.065
190 H TRP 27 H TRP 27 -1.749 5.388 -2.417
191 HA TRP 27 HA TRP 27 1.078 5.447 -1.969
192 HB2 TRP 27 HB2 TRP 27 1.839 5.136 -4.182
193 HB3 TRP 27 HB3 TRP 27 0.877 3.734 -3.758
194 HD1 TRP 27 HD1 TRP 27 0.967 6.619 -6.243
195 HE1 TRP 27 HE1 TRP 27 -0.917 6.399 -8.077
196 HE3 TRP 27 HE3 TRP 27 -1.529 2.815 -3.973
197 HZ2 TRP 27 HZ2 TRP 27 -3.190 4.697 -8.366
198 HZ3 TRP 27 HZ3 TRP 27 -3.571 1.932 -5.097
199 HH2 TRP 27 HH2 TRP 27 -4.409 2.811 -7.219
200 H TRP 28 H TRP 28 1.893 7.559 -2.439
201 HA TRP 28 HA TRP 28 0.285 9.417 -3.901
202 HB2 TRP 28 HB2 TRP 28 -0.210 10.940 -2.108
203 HB3 TRP 28 HB3 TRP 28 -0.972 9.390 -1.813
204 HD1 TRP 28 HD1 TRP 28 1.553 11.780 -0.276
205 HE1 TRP 28 HE1 TRP 28 2.373 10.962 2.095
206 HE3 TRP 28 HE3 TRP 28 -0.529 7.150 -0.570
207 HZ2 TRP 28 HZ2 TRP 28 2.066 8.526 3.549
208 HZ3 TRP 28 HZ3 TRP 28 -0.222 5.613 1.369
209 HH2 TRP 28 HH2 TRP 28 1.023 6.236 3.377
210 H SER 29 H SER 29 1.431 11.697 -3.661
211 HA SER 29 HA SER 29 4.278 11.106 -3.608
212 HB2 SER 29 HB2 SER 29 3.006 12.080 -5.694
213 HB3 SER 29 HB3 SER 29 3.041 13.597 -4.816
214 HG SER 29 HG SER 29 5.219 13.741 -5.025
215 H ASP 30 H ASP 30 5.750 12.723 -2.629
216 HA ASP 30 HA ASP 30 4.438 14.651 -0.930
217 HB2 ASP 30 HB2 ASP 30 6.440 12.581 0.090
218 HB3 ASP 30 HB3 ASP 30 5.834 13.929 1.031
219 H HIS 31 H HIS 31 6.266 16.086 0.156
220 HA HIS 31 HA HIS 31 8.006 16.915 -1.891
221 HB2 HIS 31 HB2 HIS 31 8.012 17.674 1.043
222 HB3 HIS 31 HB3 HIS 31 8.789 18.554 -0.259
223 HD1 HIS 31 HD1 HIS 31 7.050 19.528 -2.166
224 HD2 HIS 31 HD2 HIS 31 5.423 18.441 1.544
225 HE1 HIS 31 HE1 HIS 31 4.772 20.668 -2.023
226 HE2 HIS 31 HE2 HIS 31 3.797 19.919 0.254
227 H ARG 32 H ARG 32 8.159 14.305 0.283
228 HA ARG 32 HA ARG 32 11.054 14.414 0.344
229 HB2 ARG 32 HB2 ARG 32 8.995 12.770 1.880
230 HB3 ARG 32 HB3 ARG 32 10.699 12.361 1.918
231 HG2 ARG 32 HG2 ARG 32 10.586 13.771 3.769
232 HG3 ARG 32 HG3 ARG 32 11.009 14.935 2.529
233 HD2 ARG 32 HD2 ARG 32 8.421 15.239 2.212
234 HD3 ARG 32 HD3 ARG 32 8.272 14.416 3.752
235 HE ARG 32 HE ARG 32 10.158 16.365 4.285
236 HH11 ARG 32 HH22 ARG 32 6.932 16.437 2.880
237 HH12 ARG 32 HH21 ARG 32 6.586 18.039 3.441
238 HH21 ARG 32 HH12 ARG 32 9.701 18.478 5.024
239 HH22 ARG 32 HH11 ARG 32 8.171 19.208 4.669
240 H GLY 33 H GLY 33 8.254 12.729 -1.016
241 HA2 GLY 33 HA2 GLY 33 9.346 11.624 -3.182
242 HA3 GLY 33 HA3 GLY 33 9.818 10.465 -1.955
243 H THR 34 H THR 34 8.334 9.176 -3.595
244 HA THR 34 HA THR 34 5.505 9.579 -3.104
245 HB THR 34 HB THR 34 7.217 7.760 -4.855
246 HG1 THR 34 HG1 THR 34 5.119 9.795 -5.146
247 HG21 THR 34 HG21 THR 34 5.430 6.412 -5.364
248 HG22 THR 34 HG22 THR 34 4.723 6.973 -3.830
249 HG23 THR 34 HG23 THR 34 4.302 7.789 -5.355
250 H ILE 35 H ILE 35 4.489 8.818 -1.369
251 HA ILE 35 HA ILE 35 5.756 6.639 0.083
252 HB ILE 35 HB ILE 35 3.478 8.494 0.783
253 HG12 ILE 35 HG12 ILE 35 6.413 8.458 1.496
254 HG13 ILE 35 HG13 ILE 35 5.492 9.745 0.744
255 HG21 ILE 35 HG21 ILE 35 4.817 6.319 2.410
256 HG22 ILE 35 HG22 ILE 35 3.745 7.572 3.080
257 HG23 ILE 35 HG23 ILE 35 3.114 6.399 1.899
258 HD11 ILE 35 HD11 ILE 35 5.262 8.750 3.616
259 HD12 ILE 35 HD12 ILE 35 5.786 10.358 3.060
260 HD13 ILE 35 HD13 ILE 35 4.085 9.864 2.878
261 H ILE 36 H ILE 36 4.898 4.591 0.277
262 HA ILE 36 HA ILE 36 2.301 4.165 -1.016
263 HB ILE 36 HB ILE 36 4.648 2.305 -1.339
264 HG12 ILE 36 HG12 ILE 36 3.738 4.498 -3.225
265 HG13 ILE 36 HG13 ILE 36 5.250 4.454 -2.342
266 HG21 ILE 36 HG21 ILE 36 3.269 0.974 -2.485
267 HG22 ILE 36 HG22 ILE 36 1.952 1.902 -1.729
268 HG23 ILE 36 HG23 ILE 36 2.526 2.337 -3.357
269 HD11 ILE 36 HD11 ILE 36 5.544 3.679 -4.686
270 HD12 ILE 36 HD12 ILE 36 5.918 2.381 -3.527
271 HD13 ILE 36 HD13 ILE 36 4.365 2.376 -4.398
272 H GLU 37 H GLU 37 0.882 3.167 0.310
273 HA GLU 37 HA GLU 37 2.044 1.534 2.426
274 HB2 GLU 37 HB2 GLU 37 0.116 3.817 2.619
275 HB3 GLU 37 HB3 GLU 37 -0.220 2.433 3.639
276 HG2 GLU 37 HG2 GLU 37 2.582 3.595 3.534
277 HG3 GLU 37 HG3 GLU 37 1.357 4.349 4.536
278 H ARG 38 H ARG 38 1.408 -0.556 2.141
279 HA ARG 38 HA ARG 38 -1.244 -0.926 0.998
280 HB2 ARG 38 HB2 ARG 38 1.024 -2.958 0.832
281 HB3 ARG 38 HB3 ARG 38 -0.449 -2.920 -0.118
282 HG2 ARG 38 HG2 ARG 38 0.284 -1.065 -1.422
283 HG3 ARG 38 HG3 ARG 38 1.495 -0.593 -0.246
284 HD2 ARG 38 HD2 ARG 38 2.731 -2.767 -0.744
285 HD3 ARG 38 HD3 ARG 38 1.575 -3.077 -2.024
286 HE ARG 38 HE ARG 38 3.641 -0.946 -2.001
287 HH11 ARG 38 HH22 ARG 38 0.910 -2.441 -3.640
288 HH12 ARG 38 HH21 ARG 38 1.256 -1.698 -5.166
289 HH21 ARG 38 HH12 ARG 38 4.098 0.034 -4.014
290 HH22 ARG 38 HH11 ARG 38 3.081 -0.281 -5.380
291 H GLY 39 H GLY 39 -2.317 -3.059 1.696
292 HA2 GLY 39 HA2 GLY 39 -1.372 -4.516 3.916
293 HA3 GLY 39 HA3 GLY 39 -2.440 -3.246 4.479
294 H CYS 40 H CYS 40 -3.484 -5.565 5.073
295 HA CYS 40 HA CYS 40 -4.952 -6.678 2.869
296 HB2 CYS 40 HB2 CYS 40 -4.656 -7.330 5.781
297 HB3 CYS 40 HB3 CYS 40 -6.004 -7.993 4.878
298 H GLY 41 H GLY 41 -7.330 -6.672 2.776
299 HA2 GLY 41 HA2 GLY 41 -9.429 -5.937 3.459
300 HA3 GLY 41 HA3 GLY 41 -8.691 -4.755 4.522
301 H CYS 42 H CYS 42 -10.363 -3.311 3.430
302 HA CYS 42 HA CYS 42 -9.059 -2.027 1.178
303 HB2 CYS 42 HB2 CYS 42 -10.606 -3.460 0.051
304 HB3 CYS 42 HB3 CYS 42 -11.910 -3.022 1.137
305 HA PRO 43 HA PRO 43 -10.510 0.695 4.656
306 HB2 PRO 43 HB2 PRO 43 -8.158 2.086 4.769
307 HB3 PRO 43 HB3 PRO 43 -8.381 0.502 5.600
308 HG2 PRO 43 HG2 PRO 43 -7.129 1.099 2.939
309 HG3 PRO 43 HG3 PRO 43 -6.520 0.065 4.284
310 HD2 PRO 43 HD2 PRO 43 -7.768 -0.963 2.138
311 HD3 PRO 43 HD3 PRO 43 -7.984 -1.641 3.795
312 H LYS 44 H LYS 44 -10.169 3.285 4.697
313 HA LYS 44 HA LYS 44 -10.608 4.165 1.928
314 HB2 LYS 44 HB2 LYS 44 -12.594 4.151 3.540
315 HB3 LYS 44 HB3 LYS 44 -11.788 5.447 4.399
316 HG2 LYS 44 HG2 LYS 44 -11.624 6.660 2.110
317 HG3 LYS 44 HG3 LYS 44 -12.744 5.455 1.507
318 HD2 LYS 44 HD2 LYS 44 -14.510 6.195 2.898
319 HD3 LYS 44 HD3 LYS 44 -13.426 6.945 4.052
320 HE2 LYS 44 HE2 LYS 44 -14.384 8.778 2.861
321 HE3 LYS 44 HE3 LYS 44 -12.782 8.602 2.173
322 HZ1 LYS 44 HZ1 LYS 44 -13.628 7.929 0.238
323 HZ2 LYS 44 HZ2 LYS 44 -14.822 7.035 0.903
324 HZ3 LYS 44 HZ3 LYS 44 -15.003 8.650 0.744
325 H VAL 45 H VAL 45 -9.543 6.020 1.202
326 HA VAL 45 HA VAL 45 -7.524 7.038 3.080
327 HB VAL 45 HB VAL 45 -6.099 7.408 1.177
328 HG11 VAL 45 HG11 VAL 45 -7.279 4.610 1.186
329 HG12 VAL 45 HG12 VAL 45 -5.720 5.063 0.455
330 HG13 VAL 45 HG13 VAL 45 -5.957 5.215 2.213
331 HG21 VAL 45 HG21 VAL 45 -8.537 6.625 -0.400
332 HG22 VAL 45 HG22 VAL 45 -7.420 7.989 -0.638
333 HG23 VAL 45 HG23 VAL 45 -6.913 6.339 -1.071
334 H LYS 46 H LYS 46 -6.858 9.360 2.614
335 HA LYS 46 HA LYS 46 -9.286 10.895 2.289
336 HB2 LYS 46 HB2 LYS 46 -6.558 12.019 2.904
337 HB3 LYS 46 HB3 LYS 46 -8.134 12.651 3.337
338 HG2 LYS 46 HG2 LYS 46 -8.498 10.642 4.822
339 HG3 LYS 46 HG3 LYS 46 -6.883 10.087 4.431
340 HD2 LYS 46 HD2 LYS 46 -7.710 12.519 6.038
341 HD3 LYS 46 HD3 LYS 46 -6.585 11.249 6.477
342 HE2 LYS 46 HE2 LYS 46 -5.090 12.093 4.537
343 HE3 LYS 46 HE3 LYS 46 -6.145 13.490 4.457
344 HZ1 LYS 46 HZ1 LYS 46 -5.365 12.964 7.112
345 HZ2 LYS 46 HZ2 LYS 46 -4.053 13.138 6.155
346 HZ3 LYS 46 HZ3 LYS 46 -5.171 14.326 6.232
347 HA PRO 47 HA PRO 47 -8.819 12.613 -1.664
348 HB2 PRO 47 HB2 PRO 47 -8.301 15.279 -0.400
349 HB3 PRO 47 HB3 PRO 47 -9.548 14.800 -1.611
350 HG2 PRO 47 HG2 PRO 47 -10.210 15.188 0.921
351 HG3 PRO 47 HG3 PRO 47 -10.871 13.782 0.005
352 HD2 PRO 47 HD2 PRO 47 -8.617 13.888 1.987
353 HD3 PRO 47 HD3 PRO 47 -9.961 12.694 1.838
354 H GLY 48 H GLY 48 -7.068 12.708 -3.128
355 HA2 GLY 48 HA2 GLY 48 -5.048 13.675 -3.866
356 HA3 GLY 48 HA3 GLY 48 -4.564 13.950 -2.204
357 H VAL 49 H VAL 49 -5.380 11.287 -1.197
358 HA VAL 49 HA VAL 49 -3.021 9.871 -2.047
359 HB VAL 49 HB VAL 49 -5.099 8.878 -0.117
360 HG11 VAL 49 HG11 VAL 49 -3.344 7.316 -0.569
361 HG12 VAL 49 HG12 VAL 49 -2.093 8.568 -0.378
362 HG13 VAL 49 HG13 VAL 49 -3.024 8.018 1.035
363 HG21 VAL 49 HG21 VAL 49 -3.530 11.342 0.106
364 HG22 VAL 49 HG22 VAL 49 -4.899 10.762 1.084
365 HG23 VAL 49 HG23 VAL 49 -3.246 10.213 1.452
366 H ASN 50 H ASN 50 -2.976 7.798 -3.038
367 HA ASN 50 HA ASN 50 -5.383 7.304 -4.567
368 HB2 ASN 50 HB2 ASN 50 -2.458 6.508 -4.866
369 HB3 ASN 50 HB3 ASN 50 -3.694 5.643 -5.759
370 HD21 ASN 50 HD21 ASN 50 -1.836 8.501 -5.461
371 HD22 ASN 50 HD22 ASN 50 -2.434 9.368 -6.836
372 H LEU 51 H LEU 51 -6.378 5.171 -4.555
373 HA LEU 51 HA LEU 51 -5.208 3.178 -2.797
374 HB2 LEU 51 HB2 LEU 51 -6.522 4.389 -1.240
375 HB3 LEU 51 HB3 LEU 51 -7.880 4.491 -2.343
376 HG LEU 51 HG LEU 51 -8.249 2.069 -2.146
377 HD11 LEU 51 HD11 LEU 51 -6.515 0.785 -1.594
378 HD12 LEU 51 HD12 LEU 51 -5.622 2.153 -0.888
379 HD13 LEU 51 HD13 LEU 51 -6.818 1.271 0.091
380 HD21 LEU 51 HD21 LEU 51 -8.310 2.490 0.673
381 HD22 LEU 51 HD22 LEU 51 -8.663 4.038 -0.132
382 HD23 LEU 51 HD23 LEU 51 -9.640 2.598 -0.505
383 H ASN 52 H ASN 52 -5.685 1.071 -3.434
384 HA ASN 52 HA ASN 52 -7.634 0.833 -5.570
385 HB2 ASN 52 HB2 ASN 52 -5.467 0.955 -6.721
386 HB3 ASN 52 HB3 ASN 52 -4.751 -0.193 -5.606
387 HD21 ASN 52 HD21 ASN 52 -7.214 0.240 -8.094
388 HD22 ASN 52 HD22 ASN 52 -7.277 -1.400 -8.650
389 H CYS 53 H CYS 53 -9.036 -0.838 -4.996
390 HA CYS 53 HA CYS 53 -8.000 -2.816 -3.104
391 HB2 CYS 53 HB2 CYS 53 -10.870 -1.999 -3.603
392 HB3 CYS 53 HB3 CYS 53 -10.322 -3.183 -2.433
393 H CYS 54 H CYS 54 -8.422 -5.069 -3.557
394 HA CYS 54 HA CYS 54 -9.814 -5.715 -5.987
395 HB2 CYS 54 HB2 CYS 54 -7.751 -7.134 -6.699
396 HB3 CYS 54 HB3 CYS 54 -7.883 -5.451 -7.166
397 H ARG 55 H ARG 55 -9.935 -8.204 -6.177
398 HA ARG 55 HA ARG 55 -9.834 -9.286 -3.477
399 HB2 ARG 55 HB2 ARG 55 -11.634 -10.021 -5.840
400 HB3 ARG 55 HB3 ARG 55 -11.626 -10.889 -4.317
401 HG2 ARG 55 HG2 ARG 55 -12.648 -9.148 -3.147
402 HG3 ARG 55 HG3 ARG 55 -11.964 -7.904 -4.175
403 HD2 ARG 55 HD2 ARG 55 -14.155 -9.844 -5.063
404 HD3 ARG 55 HD3 ARG 55 -14.459 -8.219 -4.480
405 HE ARG 55 HE ARG 55 -12.634 -7.763 -6.479
406 HH11 ARG 55 HH22 ARG 55 -15.617 -9.628 -6.379
407 HH12 ARG 55 HH21 ARG 55 -15.974 -9.387 -8.056
408 HH21 ARG 55 HH12 ARG 55 -13.105 -7.445 -8.693
409 HH22 ARG 55 HH11 ARG 55 -14.536 -8.138 -9.381
410 H THR 56 H THR 56 -7.437 -9.335 -4.872
411 HA THR 56 HA THR 56 -7.214 -12.181 -5.557
412 HB THR 56 HB THR 56 -5.450 -11.203 -7.302
413 HG1 THR 56 HG1 THR 56 -6.423 -9.071 -8.008
414 HG21 THR 56 HG21 THR 56 -8.476 -10.932 -7.712
415 HG22 THR 56 HG22 THR 56 -7.267 -10.894 -9.018
416 HG23 THR 56 HG23 THR 56 -7.502 -12.379 -8.066
417 H ASP 57 H ASP 57 -5.313 -13.204 -4.918
418 HA ASP 57 HA ASP 57 -4.175 -12.185 -2.631
419 HB2 ASP 57 HB2 ASP 57 -3.042 -14.254 -4.573
420 HB3 ASP 57 HB3 ASP 57 -2.499 -14.030 -2.922
421 H ARG 58 H ARG 58 -2.157 -11.090 -2.253
422 HA ARG 58 HA ARG 58 -0.688 -9.548 -2.735
423 HB2 ARG 58 HB2 ARG 58 0.335 -11.401 -4.924
424 HB3 ARG 58 HB3 ARG 58 1.275 -10.387 -3.848
425 HG2 ARG 58 HG2 ARG 58 0.216 -11.855 -1.925
426 HG3 ARG 58 HG3 ARG 58 -0.161 -12.984 -3.212
427 HD2 ARG 58 HD2 ARG 58 2.171 -13.263 -3.793
428 HD3 ARG 58 HD3 ARG 58 2.653 -11.874 -2.839
429 HE ARG 58 HE ARG 58 2.559 -13.186 -0.885
430 HH11 ARG 58 HH22 ARG 58 1.053 -14.910 -3.558
431 HH12 ARG 58 HH21 ARG 58 0.937 -16.407 -2.695
432 HH21 ARG 58 HH12 ARG 58 2.406 -15.161 0.254
433 HH22 ARG 58 HH11 ARG 58 1.712 -16.551 -0.512
434 H CYS 59 H CYS 59 -3.135 -9.073 -4.158
435 HA CYS 59 HA CYS 59 -2.402 -8.429 -6.867
436 HB2 CYS 59 HB2 CYS 59 -4.680 -7.844 -7.193
437 HB3 CYS 59 HB3 CYS 59 -4.626 -9.353 -6.303
438 H ASN 60 H ASN 60 -2.447 -7.013 -3.668
439 HA ASN 60 HA ASN 60 -2.491 -4.336 -4.737
440 HB2 ASN 60 HB2 ASN 60 -2.438 -3.655 -2.324
441 HB3 ASN 60 HB3 ASN 60 -3.745 -4.778 -2.645
442 HD21 ASN 60 HD21 ASN 60 -2.218 -4.128 -0.196
443 HD22 ASN 60 HD22 ASN 60 -1.609 -5.626 0.423
444 H ASN 61 H ASN 61 -0.284 -5.808 -5.676
445 HA ASN 61 HA ASN 61 1.902 -5.298 -3.880
446 HB2 ASN 61 HB2 ASN 61 1.856 -7.420 -5.183
447 HB3 ASN 61 HB3 ASN 61 1.789 -6.523 -6.687
448 HD21 ASN 61 HD21 ASN 61 3.680 -6.078 -3.704
449 HD22 ASN 61 HD22 ASN 61 5.252 -6.136 -4.427
Start of MODEL 10
1 H1 LEU 1 H1 LEU 1 -5.911 -16.159 1.830
2 H2 LEU 1 H2 LEU 1 -7.239 -15.251 2.223
3 H3 LEU 1 H3 LEU 1 -5.807 -15.009 3.017
4 HA LEU 1 HA LEU 1 -5.524 -14.791 0.243
5 HB2 LEU 1 HB2 LEU 1 -7.768 -14.037 0.216
6 HB3 LEU 1 HB3 LEU 1 -7.540 -13.047 1.644
7 HG LEU 1 HG LEU 1 -5.807 -11.755 0.169
8 HD11 LEU 1 HD11 LEU 1 -7.450 -13.193 -1.927
9 HD12 LEU 1 HD12 LEU 1 -6.500 -11.721 -2.240
10 HD13 LEU 1 HD13 LEU 1 -5.683 -13.213 -1.716
11 HD21 LEU 1 HD21 LEU 1 -7.652 -10.565 0.941
12 HD22 LEU 1 HD22 LEU 1 -7.778 -10.418 -0.828
13 HD23 LEU 1 HD23 LEU 1 -8.810 -11.577 0.045
14 H GLU 2 H GLU 2 -3.690 -13.596 -0.143
15 HA GLU 2 HA GLU 2 -2.570 -12.340 2.236
16 HB2 GLU 2 HB2 GLU 2 -1.022 -13.242 -0.224
17 HB3 GLU 2 HB3 GLU 2 -0.375 -12.821 1.350
18 HG2 GLU 2 HG2 GLU 2 -2.022 -14.796 2.158
19 HG3 GLU 2 HG3 GLU 2 -1.826 -15.323 0.498
20 H CYS 3 H CYS 3 -1.609 -10.233 2.071
21 HA CYS 3 HA CYS 3 -2.012 -8.894 -0.487
22 HB2 CYS 3 HB2 CYS 3 -2.841 -7.610 2.114
23 HB3 CYS 3 HB3 CYS 3 -3.085 -7.010 0.485
24 H HIS 4 H HIS 4 -0.333 -7.422 -0.947
25 HA HIS 4 HA HIS 4 2.029 -7.710 0.508
26 HB2 HIS 4 HB2 HIS 4 1.094 -5.959 -1.739
27 HB3 HIS 4 HB3 HIS 4 2.615 -5.585 -0.954
28 HD1 HIS 4 HD1 HIS 4 4.599 -7.252 -1.285
29 HD2 HIS 4 HD2 HIS 4 1.078 -8.333 -3.291
30 HE1 HIS 4 HE1 HIS 4 5.248 -9.097 -2.923
31 HE2 HIS 4 HE2 HIS 4 3.034 -9.758 -4.088
32 H ASN 5 H ASN 5 2.997 -6.500 2.124
33 HA ASN 5 HA ASN 5 1.343 -4.315 3.120
34 HB2 ASN 5 HB2 ASN 5 2.033 -4.884 5.356
35 HB3 ASN 5 HB3 ASN 5 1.666 -6.419 4.594
36 HD21 ASN 5 HD21 ASN 5 3.061 -7.947 4.970
37 HD22 ASN 5 HD22 ASN 5 4.766 -7.782 5.225
38 H GLN 6 H GLN 6 3.808 -4.665 1.136
39 HA GLN 6 HA GLN 6 5.926 -3.371 2.490
40 HB2 GLN 6 HB2 GLN 6 6.791 -3.139 0.040
41 HB3 GLN 6 HB3 GLN 6 6.637 -4.747 0.720
42 HG2 GLN 6 HG2 GLN 6 4.801 -5.294 -0.604
43 HG3 GLN 6 HG3 GLN 6 4.212 -3.645 -0.668
44 HE21 GLN 6 HE21 GLN 6 5.215 -5.960 -2.565
45 HE22 GLN 6 HE22 GLN 6 6.087 -5.114 -3.800
46 H GLN 7 H GLN 7 6.412 -1.189 2.630
47 HA GLN 7 HA GLN 7 4.482 0.562 1.328
48 HB2 GLN 7 HB2 GLN 7 5.590 2.181 3.190
49 HB3 GLN 7 HB3 GLN 7 4.209 1.156 3.527
50 HG2 GLN 7 HG2 GLN 7 5.853 0.818 5.293
51 HG3 GLN 7 HG3 GLN 7 5.774 -0.647 4.334
52 HE21 GLN 7 HE21 GLN 7 7.436 2.508 4.293
53 HE22 GLN 7 HE22 GLN 7 9.020 1.916 3.913
54 H SER 8 H SER 8 5.294 2.654 0.470
55 HA SER 8 HA SER 8 6.611 3.775 -0.843
56 HB2 SER 8 HB2 SER 8 8.955 2.823 0.852
57 HB3 SER 8 HB3 SER 8 8.843 4.316 -0.058
58 HG SER 8 HG SER 8 8.436 4.747 2.159
59 H SER 9 H SER 9 9.693 2.729 -0.929
60 HA SER 9 HA SER 9 9.109 0.940 -3.141
61 HB2 SER 9 HB2 SER 9 11.782 2.257 -2.536
62 HB3 SER 9 HB3 SER 9 11.249 1.563 -4.054
63 HG SER 9 HG SER 9 9.545 3.276 -4.067
64 H GLN 10 H GLN 10 9.813 0.798 0.109
65 HA GLN 10 HA GLN 10 11.968 -0.739 0.476
66 HB2 GLN 10 HB2 GLN 10 9.288 -1.274 1.824
67 HB3 GLN 10 HB3 GLN 10 10.879 -1.597 2.485
68 HG2 GLN 10 HG2 GLN 10 9.562 1.096 1.994
69 HG3 GLN 10 HG3 GLN 10 10.195 0.458 3.498
70 HE21 GLN 10 HE21 GLN 10 10.806 2.283 0.716
71 HE22 GLN 10 HE22 GLN 10 12.501 2.574 0.918
72 HA PRO 11 HA PRO 11 11.698 -4.788 -1.124
73 HB2 PRO 11 HB2 PRO 11 11.490 -5.844 1.672
74 HB3 PRO 11 HB3 PRO 11 12.672 -6.248 0.371
75 HG2 PRO 11 HG2 PRO 11 13.379 -4.703 2.399
76 HG3 PRO 11 HG3 PRO 11 13.874 -4.289 0.715
77 HD2 PRO 11 HD2 PRO 11 11.650 -3.162 2.390
78 HD3 PRO 11 HD3 PRO 11 12.848 -2.309 1.347
79 HA PRO 12 HA PRO 12 7.338 -5.647 -1.369
80 HB2 PRO 12 HB2 PRO 12 8.414 -8.219 -2.467
81 HB3 PRO 12 HB3 PRO 12 7.211 -7.077 -3.174
82 HG2 PRO 12 HG2 PRO 12 9.689 -7.161 -4.095
83 HG3 PRO 12 HG3 PRO 12 8.864 -5.580 -3.825
84 HD2 PRO 12 HD2 PRO 12 10.889 -6.999 -2.120
85 HD3 PRO 12 HD3 PRO 12 10.795 -5.259 -2.584
86 H THR 13 H THR 13 6.026 -6.462 0.295
87 HA THR 13 HA THR 13 6.852 -8.985 1.550
88 HB THR 13 HB THR 13 6.001 -7.763 3.733
89 HG1 THR 13 HG1 THR 13 5.265 -5.819 2.782
90 HG21 THR 13 HG21 THR 13 8.612 -6.961 2.346
91 HG22 THR 13 HG22 THR 13 8.241 -6.616 4.052
92 HG23 THR 13 HG23 THR 13 8.397 -8.300 3.499
93 H THR 14 H THR 14 4.949 -9.767 3.052
94 HA THR 14 HA THR 14 2.366 -9.060 1.914
95 HB THR 14 HB THR 14 2.040 -11.663 1.613
96 HG1 THR 14 HG1 THR 14 3.993 -12.492 2.357
97 HG21 THR 14 HG21 THR 14 3.213 -11.618 -0.653
98 HG22 THR 14 HG22 THR 14 2.103 -10.251 -0.392
99 HG23 THR 14 HG23 THR 14 3.860 -10.018 -0.219
100 H LYS 15 H LYS 15 0.548 -9.953 3.157
101 HA LYS 15 HA LYS 15 1.247 -11.048 5.739
102 HB2 LYS 15 HB2 LYS 15 1.476 -8.535 5.934
103 HB3 LYS 15 HB3 LYS 15 -0.239 -8.412 5.596
104 HG2 LYS 15 HG2 LYS 15 0.131 -8.418 8.030
105 HG3 LYS 15 HG3 LYS 15 -0.745 -9.862 7.560
106 HD2 LYS 15 HD2 LYS 15 1.188 -11.258 7.791
107 HD3 LYS 15 HD3 LYS 15 2.288 -9.894 7.761
108 HE2 LYS 15 HE2 LYS 15 1.829 -9.286 9.986
109 HE3 LYS 15 HE3 LYS 15 0.227 -9.998 9.966
110 HZ1 LYS 15 HZ1 LYS 15 2.044 -11.215 11.193
111 HZ2 LYS 15 HZ2 LYS 15 1.108 -12.108 10.196
112 HZ3 LYS 15 HZ3 LYS 15 2.613 -11.673 9.732
113 H THR 16 H THR 16 -0.558 -12.064 6.778
114 HA THR 16 HA THR 16 -2.566 -12.888 4.891
115 HB THR 16 HB THR 16 -2.434 -13.574 7.855
116 HG1 THR 16 HG1 THR 16 -0.583 -14.765 7.350
117 HG21 THR 16 HG21 THR 16 -3.420 -14.840 5.300
118 HG22 THR 16 HG22 THR 16 -2.700 -15.915 6.522
119 HG23 THR 16 HG23 THR 16 -4.116 -14.919 6.936
120 H CYS 17 H CYS 17 -4.590 -12.155 4.631
121 HA CYS 17 HA CYS 17 -5.341 -9.868 6.183
122 HB2 CYS 17 HB2 CYS 17 -7.085 -11.228 4.146
123 HB3 CYS 17 HB3 CYS 17 -7.067 -9.545 4.633
124 H SER 18 H SER 18 -6.538 -9.985 8.054
125 HA SER 18 HA SER 18 -7.823 -12.535 8.588
126 HB2 SER 18 HB2 SER 18 -7.634 -12.025 10.917
127 HB3 SER 18 HB3 SER 18 -6.101 -11.561 10.205
128 HG SER 18 HG SER 18 -6.468 -9.490 10.672
129 H GLY 19 H GLY 19 -10.013 -12.627 8.262
130 HA2 GLY 19 HA2 GLY 19 -12.193 -12.025 8.421
131 HA3 GLY 19 HA3 GLY 19 -11.730 -10.532 9.212
132 H GLU 20 H GLU 20 -9.716 -10.402 6.661
133 HA GLU 20 HA GLU 20 -11.703 -8.989 5.076
134 HB2 GLU 20 HB2 GLU 20 -8.696 -8.705 4.783
135 HB3 GLU 20 HB3 GLU 20 -9.944 -7.574 4.300
136 HG2 GLU 20 HG2 GLU 20 -10.522 -7.167 6.691
137 HG3 GLU 20 HG3 GLU 20 -9.310 -8.329 7.192
138 H THR 21 H THR 21 -11.415 -9.062 2.644
139 HA THR 21 HA THR 21 -10.071 -11.493 1.724
140 HB THR 21 HB THR 21 -12.260 -11.911 0.368
141 HG1 THR 21 HG1 THR 21 -14.085 -10.830 1.382
142 HG21 THR 21 HG21 THR 21 -12.267 -12.145 3.422
143 HG22 THR 21 HG22 THR 21 -13.474 -12.912 2.363
144 HG23 THR 21 HG23 THR 21 -11.766 -13.402 2.266
145 H ASN 22 H ASN 22 -9.873 -8.369 1.630
146 HA ASN 22 HA ASN 22 -9.487 -8.368 -1.252
147 HB2 ASN 22 HB2 ASN 22 -10.638 -6.080 0.432
148 HB3 ASN 22 HB3 ASN 22 -10.194 -5.932 -1.257
149 HD21 ASN 22 HD21 ASN 22 -12.338 -7.475 1.046
150 HD22 ASN 22 HD22 ASN 22 -13.602 -7.915 -0.053
151 H CYS 23 H CYS 23 -7.754 -6.769 -1.916
152 HA CYS 23 HA CYS 23 -5.981 -6.167 0.340
153 HB2 CYS 23 HB2 CYS 23 -5.157 -6.782 -2.504
154 HB3 CYS 23 HB3 CYS 23 -4.093 -6.467 -1.147
155 H TYR 24 H TYR 24 -5.208 -4.030 0.466
156 HA TYR 24 HA TYR 24 -6.188 -2.229 -1.646
157 HB2 TYR 24 HB2 TYR 24 -6.593 -0.673 0.168
158 HB3 TYR 24 HB3 TYR 24 -7.099 -2.214 0.832
159 HD1 TYR 24 HD2 TYR 24 -4.495 0.393 0.911
160 HD2 TYR 24 HD1 TYR 24 -5.840 -3.294 2.613
161 HE1 TYR 24 HE2 TYR 24 -2.882 0.693 2.852
162 HE2 TYR 24 HE1 TYR 24 -4.222 -2.982 4.549
163 HH TYR 24 HH TYR 24 -1.823 -0.462 4.504
164 H LYS 25 H LYS 25 -4.840 -0.374 -2.174
165 HA LYS 25 HA LYS 25 -2.102 -0.529 -1.194
166 HB2 LYS 25 HB2 LYS 25 -1.907 -1.898 -3.114
167 HB3 LYS 25 HB3 LYS 25 -2.941 -0.860 -4.076
168 HG2 LYS 25 HG2 LYS 25 -1.163 0.997 -3.701
169 HG3 LYS 25 HG3 LYS 25 -0.117 -0.273 -3.096
170 HD2 LYS 25 HD2 LYS 25 -1.208 0.108 -5.895
171 HD3 LYS 25 HD3 LYS 25 0.450 -0.156 -5.392
172 HE2 LYS 25 HE2 LYS 25 -0.020 -2.290 -6.167
173 HE3 LYS 25 HE3 LYS 25 -0.549 -2.492 -4.509
174 HZ1 LYS 25 HZ1 LYS 25 -2.697 -2.486 -5.125
175 HZ2 LYS 25 HZ2 LYS 25 -2.495 -1.447 -6.369
176 HZ3 LYS 25 HZ3 LYS 25 -2.088 -3.019 -6.544
177 H LYS 26 H LYS 26 -1.598 1.455 -0.455
178 HA LYS 26 HA LYS 26 -2.958 3.718 -1.738
179 HB2 LYS 26 HB2 LYS 26 -1.702 3.943 0.968
180 HB3 LYS 26 HB3 LYS 26 -3.086 4.785 0.299
181 HG2 LYS 26 HG2 LYS 26 -4.480 2.775 0.477
182 HG3 LYS 26 HG3 LYS 26 -3.098 1.799 0.935
183 HD2 LYS 26 HD2 LYS 26 -4.739 2.754 2.796
184 HD3 LYS 26 HD3 LYS 26 -3.016 2.664 3.101
185 HE2 LYS 26 HE2 LYS 26 -4.217 5.166 1.866
186 HE3 LYS 26 HE3 LYS 26 -4.291 4.917 3.599
187 HZ1 LYS 26 HZ1 LYS 26 -2.263 5.762 3.596
188 HZ2 LYS 26 HZ2 LYS 26 -1.732 4.344 2.984
189 HZ3 LYS 26 HZ3 LYS 26 -2.060 5.593 1.984
190 H TRP 27 H TRP 27 -1.743 5.526 -2.402
191 HA TRP 27 HA TRP 27 1.075 5.604 -1.910
192 HB2 TRP 27 HB2 TRP 27 1.873 5.284 -4.112
193 HB3 TRP 27 HB3 TRP 27 0.923 3.875 -3.683
194 HD1 TRP 27 HD1 TRP 27 0.999 6.743 -6.193
195 HE1 TRP 27 HE1 TRP 27 -0.856 6.472 -8.051
196 HE3 TRP 27 HE3 TRP 27 -1.454 2.907 -3.929
197 HZ2 TRP 27 HZ2 TRP 27 -3.090 4.724 -8.359
198 HZ3 TRP 27 HZ3 TRP 27 -3.463 1.976 -5.075
199 HH2 TRP 27 HH2 TRP 27 -4.288 2.822 -7.215
200 H TRP 28 H TRP 28 1.879 7.719 -2.366
201 HA TRP 28 HA TRP 28 0.274 9.553 -3.869
202 HB2 TRP 28 HB2 TRP 28 -0.217 11.096 -2.085
203 HB3 TRP 28 HB3 TRP 28 -0.992 9.551 -1.793
204 HD1 TRP 28 HD1 TRP 28 1.441 11.965 -0.195
205 HE1 TRP 28 HE1 TRP 28 2.275 11.132 2.166
206 HE3 TRP 28 HE3 TRP 28 -0.439 7.259 -0.607
207 HZ2 TRP 28 HZ2 TRP 28 2.059 8.654 3.565
208 HZ3 TRP 28 HZ3 TRP 28 -0.084 5.695 1.301
209 HH2 TRP 28 HH2 TRP 28 1.116 6.327 3.335
210 H SER 29 H SER 29 1.412 11.836 -3.664
211 HA SER 29 HA SER 29 4.261 11.258 -3.588
212 HB2 SER 29 HB2 SER 29 2.650 13.397 -5.039
213 HB3 SER 29 HB3 SER 29 4.400 13.427 -4.960
214 HG SER 29 HG SER 29 4.399 12.078 -6.611
215 H ASP 30 H ASP 30 5.722 12.873 -2.608
216 HA ASP 30 HA ASP 30 4.394 14.838 -0.960
217 HB2 ASP 30 HB2 ASP 30 4.749 12.664 0.364
218 HB3 ASP 30 HB3 ASP 30 6.473 12.910 0.169
219 H HIS 31 H HIS 31 6.203 16.302 0.105
220 HA HIS 31 HA HIS 31 7.971 17.082 -1.939
221 HB2 HIS 31 HB2 HIS 31 6.876 18.573 -0.243
222 HB3 HIS 31 HB3 HIS 31 7.960 17.924 0.971
223 HD1 HIS 31 HD1 HIS 31 8.696 20.550 1.129
224 HD2 HIS 31 HD2 HIS 31 9.825 18.476 -2.338
225 HE1 HIS 31 HE1 HIS 31 10.541 21.934 0.037
226 HE2 HIS 31 HE2 HIS 31 11.232 20.581 -2.059
227 H ARG 32 H ARG 32 8.095 14.525 0.293
228 HA ARG 32 HA ARG 32 10.989 14.648 0.407
229 HB2 ARG 32 HB2 ARG 32 9.668 14.255 2.536
230 HB3 ARG 32 HB3 ARG 32 9.064 12.758 1.854
231 HG2 ARG 32 HG2 ARG 32 11.608 12.159 1.504
232 HG3 ARG 32 HG3 ARG 32 11.912 13.447 2.653
233 HD2 ARG 32 HD2 ARG 32 9.938 11.203 3.255
234 HD3 ARG 32 HD3 ARG 32 11.648 11.041 3.603
235 HE ARG 32 HE ARG 32 10.442 13.504 4.663
236 HH11 ARG 32 HH22 ARG 32 11.200 10.128 5.300
237 HH12 ARG 32 HH21 ARG 32 11.147 10.308 7.022
238 HH21 ARG 32 HH12 ARG 32 10.372 13.743 6.934
239 HH22 ARG 32 HH11 ARG 32 10.672 12.378 7.958
240 H GLY 33 H GLY 33 8.221 12.923 -0.969
241 HA2 GLY 33 HA2 GLY 33 9.360 11.775 -3.089
242 HA3 GLY 33 HA3 GLY 33 9.811 10.645 -1.828
243 H THR 34 H THR 34 8.364 9.315 -3.467
244 HA THR 34 HA THR 34 5.524 9.715 -3.019
245 HB THR 34 HB THR 34 7.262 7.905 -4.752
246 HG1 THR 34 HG1 THR 34 6.617 10.246 -5.190
247 HG21 THR 34 HG21 THR 34 4.748 7.123 -3.745
248 HG22 THR 34 HG22 THR 34 4.363 7.899 -5.300
249 HG23 THR 34 HG23 THR 34 5.497 6.528 -5.246
250 H ILE 35 H ILE 35 4.508 8.962 -1.280
251 HA ILE 35 HA ILE 35 5.767 6.776 0.172
252 HB ILE 35 HB ILE 35 3.486 8.621 0.889
253 HG12 ILE 35 HG12 ILE 35 6.430 8.637 1.583
254 HG13 ILE 35 HG13 ILE 35 5.502 9.889 0.781
255 HG21 ILE 35 HG21 ILE 35 3.772 7.724 3.176
256 HG22 ILE 35 HG22 ILE 35 3.211 6.499 2.013
257 HG23 ILE 35 HG23 ILE 35 4.912 6.515 2.536
258 HD11 ILE 35 HD11 ILE 35 5.796 10.566 3.090
259 HD12 ILE 35 HD12 ILE 35 4.091 10.097 2.891
260 HD13 ILE 35 HD13 ILE 35 5.233 8.984 3.681
261 H ILE 36 H ILE 36 4.914 4.729 0.335
262 HA ILE 36 HA ILE 36 2.298 4.324 -0.924
263 HB ILE 36 HB ILE 36 4.612 2.438 -1.300
264 HG12 ILE 36 HG12 ILE 36 3.769 4.706 -3.128
265 HG13 ILE 36 HG13 ILE 36 5.279 4.594 -2.245
266 HG21 ILE 36 HG21 ILE 36 3.221 1.194 -2.540
267 HG22 ILE 36 HG22 ILE 36 1.933 2.072 -1.681
268 HG23 ILE 36 HG23 ILE 36 2.455 2.613 -3.295
269 HD11 ILE 36 HD11 ILE 36 6.040 2.731 -3.543
270 HD12 ILE 36 HD12 ILE 36 4.412 2.422 -4.192
271 HD13 ILE 36 HD13 ILE 36 5.322 3.858 -4.719
272 H GLU 37 H GLU 37 0.897 3.192 0.329
273 HA GLU 37 HA GLU 37 2.088 1.578 2.438
274 HB2 GLU 37 HB2 GLU 37 1.416 3.358 3.768
275 HB3 GLU 37 HB3 GLU 37 0.123 3.831 2.685
276 HG2 GLU 37 HG2 GLU 37 -1.214 1.849 3.392
277 HG3 GLU 37 HG3 GLU 37 0.086 1.336 4.449
278 H ARG 38 H ARG 38 1.482 -0.510 2.082
279 HA ARG 38 HA ARG 38 -1.192 -0.881 0.989
280 HB2 ARG 38 HB2 ARG 38 1.201 -2.763 0.681
281 HB3 ARG 38 HB3 ARG 38 -0.358 -2.936 -0.100
282 HG2 ARG 38 HG2 ARG 38 0.139 -0.519 -1.063
283 HG3 ARG 38 HG3 ARG 38 1.801 -0.875 -0.636
284 HD2 ARG 38 HD2 ARG 38 1.451 -3.121 -1.943
285 HD3 ARG 38 HD3 ARG 38 0.017 -2.361 -2.603
286 HE ARG 38 HE ARG 38 1.401 -1.106 -3.994
287 HH11 ARG 38 HH22 ARG 38 3.252 -2.073 -1.162
288 HH12 ARG 38 HH21 ARG 38 4.732 -1.378 -1.734
289 HH21 ARG 38 HH12 ARG 38 3.353 -0.189 -4.749
290 HH22 ARG 38 HH11 ARG 38 4.790 -0.299 -3.788
291 H GLY 39 H GLY 39 -2.231 -3.034 1.653
292 HA2 GLY 39 HA2 GLY 39 -1.220 -4.567 3.786
293 HA3 GLY 39 HA3 GLY 39 -2.260 -3.315 4.435
294 H CYS 40 H CYS 40 -3.368 -5.559 5.022
295 HA CYS 40 HA CYS 40 -4.879 -6.650 2.832
296 HB2 CYS 40 HB2 CYS 40 -4.554 -7.318 5.738
297 HB3 CYS 40 HB3 CYS 40 -5.921 -7.958 4.847
298 H GLY 41 H GLY 41 -7.265 -6.619 2.796
299 HA2 GLY 41 HA2 GLY 41 -9.335 -5.848 3.528
300 HA3 GLY 41 HA3 GLY 41 -8.553 -4.664 4.557
301 H CYS 42 H CYS 42 -10.238 -3.214 3.485
302 HA CYS 42 HA CYS 42 -8.963 -1.950 1.212
303 HB2 CYS 42 HB2 CYS 42 -10.496 -3.412 0.098
304 HB3 CYS 42 HB3 CYS 42 -11.806 -2.966 1.173
305 HA PRO 43 HA PRO 43 -10.435 0.787 4.664
306 HB2 PRO 43 HB2 PRO 43 -8.106 2.217 4.745
307 HB3 PRO 43 HB3 PRO 43 -8.297 0.637 5.593
308 HG2 PRO 43 HG2 PRO 43 -7.075 1.228 2.916
309 HG3 PRO 43 HG3 PRO 43 -6.438 0.218 4.267
310 HD2 PRO 43 HD2 PRO 43 -7.687 -0.852 2.141
311 HD3 PRO 43 HD3 PRO 43 -7.879 -1.517 3.806
312 H LYS 44 H LYS 44 -10.143 3.381 4.678
313 HA LYS 44 HA LYS 44 -10.621 4.225 1.904
314 HB2 LYS 44 HB2 LYS 44 -12.003 4.887 4.482
315 HB3 LYS 44 HB3 LYS 44 -11.938 6.102 3.221
316 HG2 LYS 44 HG2 LYS 44 -13.090 4.696 1.648
317 HG3 LYS 44 HG3 LYS 44 -12.823 3.256 2.610
318 HD2 LYS 44 HD2 LYS 44 -15.125 3.899 2.952
319 HD3 LYS 44 HD3 LYS 44 -14.271 4.282 4.434
320 HE2 LYS 44 HE2 LYS 44 -15.689 6.181 3.882
321 HE3 LYS 44 HE3 LYS 44 -14.023 6.668 3.634
322 HZ1 LYS 44 HZ1 LYS 44 -15.920 6.938 1.818
323 HZ2 LYS 44 HZ2 LYS 44 -14.335 6.816 1.444
324 HZ3 LYS 44 HZ3 LYS 44 -15.301 5.503 1.344
325 H VAL 45 H VAL 45 -9.581 6.077 1.140
326 HA VAL 45 HA VAL 45 -7.559 7.150 2.984
327 HB VAL 45 HB VAL 45 -6.146 7.494 1.078
328 HG11 VAL 45 HG11 VAL 45 -6.177 5.249 2.174
329 HG12 VAL 45 HG12 VAL 45 -7.294 4.689 0.906
330 HG13 VAL 45 HG13 VAL 45 -5.647 5.210 0.476
331 HG21 VAL 45 HG21 VAL 45 -7.000 6.395 -1.161
332 HG22 VAL 45 HG22 VAL 45 -8.604 6.758 -0.480
333 HG23 VAL 45 HG23 VAL 45 -7.433 8.072 -0.749
334 H LYS 46 H LYS 46 -6.939 9.472 2.505
335 HA LYS 46 HA LYS 46 -9.388 10.967 2.153
336 HB2 LYS 46 HB2 LYS 46 -6.683 12.139 2.775
337 HB3 LYS 46 HB3 LYS 46 -8.272 12.749 3.194
338 HG2 LYS 46 HG2 LYS 46 -8.468 10.422 4.506
339 HG3 LYS 46 HG3 LYS 46 -6.718 10.482 4.450
340 HD2 LYS 46 HD2 LYS 46 -7.181 11.602 6.468
341 HD3 LYS 46 HD3 LYS 46 -6.981 12.935 5.348
342 HE2 LYS 46 HE2 LYS 46 -9.511 12.921 4.997
343 HE3 LYS 46 HE3 LYS 46 -9.629 11.727 6.274
344 HZ1 LYS 46 HZ1 LYS 46 -8.424 14.389 6.589
345 HZ2 LYS 46 HZ2 LYS 46 -9.926 13.975 7.078
346 HZ3 LYS 46 HZ3 LYS 46 -8.620 13.282 7.774
347 HA PRO 47 HA PRO 47 -8.919 12.661 -1.811
348 HB2 PRO 47 HB2 PRO 47 -8.444 15.344 -0.566
349 HB3 PRO 47 HB3 PRO 47 -9.678 14.838 -1.780
350 HG2 PRO 47 HG2 PRO 47 -10.361 15.238 0.744
351 HG3 PRO 47 HG3 PRO 47 -10.997 13.816 -0.164
352 HD2 PRO 47 HD2 PRO 47 -8.757 13.968 1.830
353 HD3 PRO 47 HD3 PRO 47 -10.084 12.755 1.683
354 H GLY 48 H GLY 48 -7.159 12.763 -3.264
355 HA2 GLY 48 HA2 GLY 48 -5.148 13.749 -3.999
356 HA3 GLY 48 HA3 GLY 48 -4.679 14.049 -2.337
357 H VAL 49 H VAL 49 -5.461 11.388 -1.303
358 HA VAL 49 HA VAL 49 -3.077 9.997 -2.113
359 HB VAL 49 HB VAL 49 -5.168 8.992 -0.204
360 HG11 VAL 49 HG11 VAL 49 -2.151 8.727 -0.391
361 HG12 VAL 49 HG12 VAL 49 -3.126 8.137 0.977
362 HG13 VAL 49 HG13 VAL 49 -3.371 7.457 -0.650
363 HG21 VAL 49 HG21 VAL 49 -3.630 11.475 0.020
364 HG22 VAL 49 HG22 VAL 49 -5.004 10.886 0.986
365 HG23 VAL 49 HG23 VAL 49 -3.349 10.359 1.378
366 H ASN 50 H ASN 50 -2.996 7.890 -3.052
367 HA ASN 50 HA ASN 50 -5.369 7.358 -4.626
368 HB2 ASN 50 HB2 ASN 50 -2.431 6.589 -4.870
369 HB3 ASN 50 HB3 ASN 50 -3.645 5.711 -5.779
370 HD21 ASN 50 HD21 ASN 50 -1.811 8.582 -5.466
371 HD22 ASN 50 HD22 ASN 50 -2.392 9.439 -6.855
372 H LEU 51 H LEU 51 -6.340 5.216 -4.602
373 HA LEU 51 HA LEU 51 -5.169 3.255 -2.807
374 HB2 LEU 51 HB2 LEU 51 -6.516 4.458 -1.277
375 HB3 LEU 51 HB3 LEU 51 -7.858 4.549 -2.400
376 HG LEU 51 HG LEU 51 -8.275 2.162 -2.179
377 HD11 LEU 51 HD11 LEU 51 -6.756 1.307 -0.006
378 HD12 LEU 51 HD12 LEU 51 -6.572 0.812 -1.706
379 HD13 LEU 51 HD13 LEU 51 -5.594 2.150 -1.058
380 HD21 LEU 51 HD21 LEU 51 -9.506 2.463 -0.341
381 HD22 LEU 51 HD22 LEU 51 -8.079 2.753 0.682
382 HD23 LEU 51 HD23 LEU 51 -8.775 4.085 -0.271
383 H ASN 52 H ASN 52 -5.627 1.132 -3.417
384 HA ASN 52 HA ASN 52 -7.537 0.851 -5.583
385 HB2 ASN 52 HB2 ASN 52 -5.634 0.776 -6.942
386 HB3 ASN 52 HB3 ASN 52 -4.588 0.262 -5.632
387 HD21 ASN 52 HD21 ASN 52 -6.471 -0.664 -8.301
388 HD22 ASN 52 HD22 ASN 52 -6.308 -2.384 -8.190
389 H CYS 53 H CYS 53 -8.932 -0.828 -5.017
390 HA CYS 53 HA CYS 53 -7.898 -2.789 -3.103
391 HB2 CYS 53 HB2 CYS 53 -10.764 -1.946 -3.581
392 HB3 CYS 53 HB3 CYS 53 -10.225 -3.146 -2.424
393 H CYS 54 H CYS 54 -8.309 -5.039 -3.554
394 HA CYS 54 HA CYS 54 -9.720 -5.678 -5.982
395 HB2 CYS 54 HB2 CYS 54 -7.677 -7.131 -6.677
396 HB3 CYS 54 HB3 CYS 54 -7.772 -5.444 -7.144
397 H ARG 55 H ARG 55 -9.890 -8.162 -6.157
398 HA ARG 55 HA ARG 55 -9.809 -9.236 -3.454
399 HB2 ARG 55 HB2 ARG 55 -11.633 -9.939 -5.808
400 HB3 ARG 55 HB3 ARG 55 -11.638 -10.801 -4.283
401 HG2 ARG 55 HG2 ARG 55 -12.620 -9.035 -3.115
402 HG3 ARG 55 HG3 ARG 55 -11.910 -7.810 -4.147
403 HD2 ARG 55 HD2 ARG 55 -14.163 -9.694 -4.999
404 HD3 ARG 55 HD3 ARG 55 -14.399 -8.041 -4.465
405 HE ARG 55 HE ARG 55 -12.460 -8.050 -6.576
406 HH11 ARG 55 HH22 ARG 55 -15.902 -8.568 -6.061
407 HH12 ARG 55 HH21 ARG 55 -16.346 -8.082 -7.664
408 HH21 ARG 55 HH12 ARG 55 -13.044 -7.408 -8.690
409 HH22 ARG 55 HH11 ARG 55 -14.709 -7.418 -9.169
410 H THR 56 H THR 56 -7.417 -9.344 -4.851
411 HA THR 56 HA THR 56 -7.259 -12.196 -5.527
412 HB THR 56 HB THR 56 -5.486 -11.264 -7.289
413 HG1 THR 56 HG1 THR 56 -7.194 -9.148 -7.751
414 HG21 THR 56 HG21 THR 56 -7.316 -10.919 -8.992
415 HG22 THR 56 HG22 THR 56 -7.554 -12.405 -8.043
416 HG23 THR 56 HG23 THR 56 -8.510 -10.950 -7.673
417 H ASP 57 H ASP 57 -5.369 -13.252 -4.900
418 HA ASP 57 HA ASP 57 -4.199 -12.249 -2.623
419 HB2 ASP 57 HB2 ASP 57 -3.126 -14.343 -4.572
420 HB3 ASP 57 HB3 ASP 57 -2.547 -14.120 -2.933
421 H ARG 58 H ARG 58 -2.160 -11.188 -2.259
422 HA ARG 58 HA ARG 58 -0.674 -9.665 -2.755
423 HB2 ARG 58 HB2 ARG 58 0.320 -11.544 -4.935
424 HB3 ARG 58 HB3 ARG 58 1.275 -10.543 -3.859
425 HG2 ARG 58 HG2 ARG 58 0.192 -11.989 -1.935
426 HG3 ARG 58 HG3 ARG 58 -0.205 -13.115 -3.219
427 HD2 ARG 58 HD2 ARG 58 2.131 -13.413 -3.810
428 HD3 ARG 58 HD3 ARG 58 2.627 -12.053 -2.823
429 HE ARG 58 HE ARG 58 2.619 -13.452 -0.953
430 HH11 ARG 58 HH22 ARG 58 0.644 -14.915 -3.472
431 HH12 ARG 58 HH21 ARG 58 0.388 -16.386 -2.594
432 HH21 ARG 58 HH12 ARG 58 2.282 -15.393 0.205
433 HH22 ARG 58 HH11 ARG 58 1.326 -16.660 -0.489
434 H CYS 59 H CYS 59 -3.112 -9.153 -4.171
435 HA CYS 59 HA CYS 59 -2.387 -8.552 -6.891
436 HB2 CYS 59 HB2 CYS 59 -4.657 -7.896 -7.193
437 HB3 CYS 59 HB3 CYS 59 -4.626 -9.412 -6.314
438 H ASN 60 H ASN 60 -2.438 -7.083 -3.700
439 HA ASN 60 HA ASN 60 -2.356 -4.429 -4.827
440 HB2 ASN 60 HB2 ASN 60 -2.459 -3.666 -2.481
441 HB3 ASN 60 HB3 ASN 60 -3.692 -4.883 -2.742
442 HD21 ASN 60 HD21 ASN 60 -2.140 -3.950 -0.353
443 HD22 ASN 60 HD22 ASN 60 -1.490 -5.378 0.381
444 H ASN 61 H ASN 61 -0.172 -5.881 -5.713
445 HA ASN 61 HA ASN 61 1.976 -5.978 -3.967
446 HB2 ASN 61 HB2 ASN 61 2.126 -5.548 -6.993
447 HB3 ASN 61 HB3 ASN 61 3.335 -6.317 -5.984
448 HD21 ASN 61 HD21 ASN 61 0.368 -6.646 -7.686
449 HD22 ASN 61 HD22 ASN 61 0.093 -8.337 -7.432
Start of MODEL 11
1 H1 LEU 1 H1 LEU 1 -6.603 -16.053 1.586
2 H2 LEU 1 H2 LEU 1 -6.923 -14.861 2.691
3 H3 LEU 1 H3 LEU 1 -5.411 -15.532 2.611
4 HA LEU 1 HA LEU 1 -5.484 -14.766 0.206
5 HB2 LEU 1 HB2 LEU 1 -7.728 -14.022 0.145
6 HB3 LEU 1 HB3 LEU 1 -7.537 -13.058 1.596
7 HG LEU 1 HG LEU 1 -5.778 -11.732 0.176
8 HD11 LEU 1 HD11 LEU 1 -6.443 -11.649 -2.241
9 HD12 LEU 1 HD12 LEU 1 -5.624 -13.147 -1.738
10 HD13 LEU 1 HD13 LEU 1 -7.389 -13.132 -1.970
11 HD21 LEU 1 HD21 LEU 1 -8.778 -11.558 0.037
12 HD22 LEU 1 HD22 LEU 1 -7.622 -10.546 0.937
13 HD23 LEU 1 HD23 LEU 1 -7.752 -10.391 -0.831
14 H GLU 2 H GLU 2 -3.689 -13.481 -0.155
15 HA GLU 2 HA GLU 2 -2.617 -12.257 2.266
16 HB2 GLU 2 HB2 GLU 2 -1.105 -13.342 -0.151
17 HB3 GLU 2 HB3 GLU 2 -0.368 -12.629 1.270
18 HG2 GLU 2 HG2 GLU 2 -1.457 -14.421 2.685
19 HG3 GLU 2 HG3 GLU 2 -2.084 -15.157 1.224
20 H CYS 3 H CYS 3 -1.637 -10.152 2.108
21 HA CYS 3 HA CYS 3 -1.997 -8.827 -0.464
22 HB2 CYS 3 HB2 CYS 3 -2.866 -7.547 2.128
23 HB3 CYS 3 HB3 CYS 3 -3.058 -6.921 0.502
24 H HIS 4 H HIS 4 -0.306 -7.364 -0.910
25 HA HIS 4 HA HIS 4 2.047 -7.662 0.536
26 HB2 HIS 4 HB2 HIS 4 1.097 -5.858 -1.659
27 HB3 HIS 4 HB3 HIS 4 2.612 -5.483 -0.863
28 HD1 HIS 4 HD1 HIS 4 4.628 -7.079 -1.268
29 HD2 HIS 4 HD2 HIS 4 1.107 -8.225 -3.238
30 HE1 HIS 4 HE1 HIS 4 5.301 -8.882 -2.943
31 HE2 HIS 4 HE2 HIS 4 3.088 -9.586 -4.085
32 H ASN 5 H ASN 5 3.131 -6.349 2.049
33 HA ASN 5 HA ASN 5 1.463 -4.220 3.139
34 HB2 ASN 5 HB2 ASN 5 2.040 -4.871 5.367
35 HB3 ASN 5 HB3 ASN 5 1.732 -6.395 4.558
36 HD21 ASN 5 HD21 ASN 5 3.652 -5.069 6.710
37 HD22 ASN 5 HD22 ASN 5 5.162 -5.872 6.434
38 H GLN 6 H GLN 6 3.924 -4.574 1.175
39 HA GLN 6 HA GLN 6 6.088 -3.426 2.577
40 HB2 GLN 6 HB2 GLN 6 6.919 -3.073 0.114
41 HB3 GLN 6 HB3 GLN 6 6.766 -4.704 0.737
42 HG2 GLN 6 HG2 GLN 6 4.888 -5.185 -0.559
43 HG3 GLN 6 HG3 GLN 6 4.328 -3.524 -0.566
44 HE21 GLN 6 HE21 GLN 6 5.279 -5.813 -2.534
45 HE22 GLN 6 HE22 GLN 6 6.137 -4.946 -3.764
46 H GLN 7 H GLN 7 6.906 -1.262 2.465
47 HA GLN 7 HA GLN 7 4.854 0.631 1.638
48 HB2 GLN 7 HB2 GLN 7 5.738 0.490 4.090
49 HB3 GLN 7 HB3 GLN 7 7.188 1.259 3.475
50 HG2 GLN 7 HG2 GLN 7 5.651 3.074 2.474
51 HG3 GLN 7 HG3 GLN 7 4.346 2.363 3.404
52 HE21 GLN 7 HE21 GLN 7 4.593 4.754 4.095
53 HE22 GLN 7 HE22 GLN 7 5.507 5.040 5.538
54 H SER 8 H SER 8 5.493 2.575 0.468
55 HA SER 8 HA SER 8 6.444 3.381 -1.348
56 HB2 SER 8 HB2 SER 8 9.038 3.210 0.227
57 HB3 SER 8 HB3 SER 8 8.547 4.458 -0.901
58 HG SER 8 HG SER 8 7.535 3.950 1.752
59 H SER 9 H SER 9 9.614 2.876 -1.593
60 HA SER 9 HA SER 9 9.238 0.709 -3.430
61 HB2 SER 9 HB2 SER 9 11.602 2.522 -2.794
62 HB3 SER 9 HB3 SER 9 11.701 1.216 -3.958
63 HG SER 9 HG SER 9 10.660 3.728 -4.280
64 H GLN 10 H GLN 10 9.445 0.666 -0.227
65 HA GLN 10 HA GLN 10 11.711 -0.675 0.478
66 HB2 GLN 10 HB2 GLN 10 8.918 -1.142 1.612
67 HB3 GLN 10 HB3 GLN 10 10.435 -1.454 2.433
68 HG2 GLN 10 HG2 GLN 10 9.976 1.326 1.361
69 HG3 GLN 10 HG3 GLN 10 9.070 0.846 2.782
70 HE21 GLN 10 HE21 GLN 10 10.763 2.873 3.043
71 HE22 GLN 10 HE22 GLN 10 12.177 2.447 3.949
72 HA PRO 11 HA PRO 11 11.693 -4.841 -0.812
73 HB2 PRO 11 HB2 PRO 11 11.265 -5.685 2.030
74 HB3 PRO 11 HB3 PRO 11 12.569 -6.148 0.874
75 HG2 PRO 11 HG2 PRO 11 13.050 -4.429 2.826
76 HG3 PRO 11 HG3 PRO 11 13.682 -4.129 1.163
77 HD2 PRO 11 HD2 PRO 11 11.288 -2.952 2.544
78 HD3 PRO 11 HD3 PRO 11 12.551 -2.142 1.544
79 HA PRO 12 HA PRO 12 7.324 -5.672 -1.315
80 HB2 PRO 12 HB2 PRO 12 8.517 -8.141 -2.522
81 HB3 PRO 12 HB3 PRO 12 7.307 -6.992 -3.206
82 HG2 PRO 12 HG2 PRO 12 9.820 -6.950 -4.033
83 HG3 PRO 12 HG3 PRO 12 8.938 -5.413 -3.701
84 HD2 PRO 12 HD2 PRO 12 10.939 -6.876 -2.006
85 HD3 PRO 12 HD3 PRO 12 10.811 -5.115 -2.369
86 H THR 13 H THR 13 6.093 -6.496 0.404
87 HA THR 13 HA THR 13 6.839 -9.147 1.427
88 HB THR 13 HB THR 13 6.098 -8.070 3.721
89 HG1 THR 13 HG1 THR 13 5.388 -6.076 2.611
90 HG21 THR 13 HG21 THR 13 8.387 -7.023 4.056
91 HG22 THR 13 HG22 THR 13 8.465 -8.667 3.378
92 HG23 THR 13 HG23 THR 13 8.697 -7.256 2.319
93 H THR 14 H THR 14 4.933 -9.934 2.952
94 HA THR 14 HA THR 14 2.361 -9.062 1.908
95 HB THR 14 HB THR 14 1.920 -11.631 1.485
96 HG1 THR 14 HG1 THR 14 3.868 -12.539 2.182
97 HG21 THR 14 HG21 THR 14 3.055 -11.515 -0.802
98 HG22 THR 14 HG22 THR 14 1.995 -10.129 -0.450
99 HG23 THR 14 HG23 THR 14 3.761 -9.960 -0.301
100 H LYS 15 H LYS 15 0.532 -9.930 3.146
101 HA LYS 15 HA LYS 15 1.251 -11.161 5.667
102 HB2 LYS 15 HB2 LYS 15 1.567 -8.781 6.131
103 HB3 LYS 15 HB3 LYS 15 -0.036 -8.419 5.523
104 HG2 LYS 15 HG2 LYS 15 -0.988 -9.985 7.292
105 HG3 LYS 15 HG3 LYS 15 0.628 -10.153 7.948
106 HD2 LYS 15 HD2 LYS 15 0.744 -7.708 8.364
107 HD3 LYS 15 HD3 LYS 15 -0.832 -7.487 7.631
108 HE2 LYS 15 HE2 LYS 15 -1.546 -9.336 9.462
109 HE3 LYS 15 HE3 LYS 15 -0.131 -8.720 10.292
110 HZ1 LYS 15 HZ1 LYS 15 -1.432 -7.085 10.951
111 HZ2 LYS 15 HZ2 LYS 15 -1.447 -6.508 9.424
112 HZ3 LYS 15 HZ3 LYS 15 -2.643 -7.495 9.935
113 H THR 16 H THR 16 -0.562 -12.173 6.709
114 HA THR 16 HA THR 16 -2.592 -12.933 4.822
115 HB THR 16 HB THR 16 -2.447 -13.665 7.775
116 HG1 THR 16 HG1 THR 16 -1.033 -14.945 5.572
117 HG21 THR 16 HG21 THR 16 -3.515 -14.858 5.223
118 HG22 THR 16 HG22 THR 16 -2.772 -15.979 6.389
119 HG23 THR 16 HG23 THR 16 -4.159 -14.976 6.879
120 H CYS 17 H CYS 17 -4.622 -12.196 4.598
121 HA CYS 17 HA CYS 17 -5.332 -9.910 6.174
122 HB2 CYS 17 HB2 CYS 17 -7.105 -11.235 4.139
123 HB3 CYS 17 HB3 CYS 17 -7.072 -9.557 4.643
124 H SER 18 H SER 18 -6.519 -10.028 8.052
125 HA SER 18 HA SER 18 -7.818 -12.571 8.580
126 HB2 SER 18 HB2 SER 18 -7.869 -11.672 10.979
127 HB3 SER 18 HB3 SER 18 -6.284 -12.031 10.324
128 HG SER 18 HG SER 18 -7.295 -9.628 11.214
129 H GLY 19 H GLY 19 -10.008 -12.648 8.257
130 HA2 GLY 19 HA2 GLY 19 -12.185 -12.035 8.440
131 HA3 GLY 19 HA3 GLY 19 -11.707 -10.544 9.227
132 H GLU 20 H GLU 20 -9.710 -10.413 6.669
133 HA GLU 20 HA GLU 20 -11.702 -8.999 5.093
134 HB2 GLU 20 HB2 GLU 20 -8.698 -8.714 4.783
135 HB3 GLU 20 HB3 GLU 20 -9.949 -7.580 4.316
136 HG2 GLU 20 HG2 GLU 20 -10.533 -7.523 6.888
137 HG3 GLU 20 HG3 GLU 20 -8.943 -8.227 7.106
138 H THR 21 H THR 21 -11.378 -9.050 2.650
139 HA THR 21 HA THR 21 -10.052 -11.485 1.727
140 HB THR 21 HB THR 21 -12.239 -11.912 0.377
141 HG1 THR 21 HG1 THR 21 -14.077 -10.867 1.502
142 HG21 THR 21 HG21 THR 21 -13.463 -12.889 2.385
143 HG22 THR 21 HG22 THR 21 -11.761 -13.397 2.276
144 HG23 THR 21 HG23 THR 21 -12.239 -12.131 3.432
145 H ASN 22 H ASN 22 -9.860 -8.360 1.639
146 HA ASN 22 HA ASN 22 -9.473 -8.354 -1.242
147 HB2 ASN 22 HB2 ASN 22 -10.636 -6.071 0.439
148 HB3 ASN 22 HB3 ASN 22 -10.195 -5.924 -1.250
149 HD21 ASN 22 HD21 ASN 22 -12.330 -7.468 1.059
150 HD22 ASN 22 HD22 ASN 22 -13.593 -7.918 -0.038
151 H CYS 23 H CYS 23 -7.751 -6.737 -1.902
152 HA CYS 23 HA CYS 23 -5.982 -6.136 0.356
153 HB2 CYS 23 HB2 CYS 23 -5.135 -6.695 -2.491
154 HB3 CYS 23 HB3 CYS 23 -4.092 -6.435 -1.107
155 H TYR 24 H TYR 24 -5.216 -3.996 0.493
156 HA TYR 24 HA TYR 24 -6.199 -2.188 -1.613
157 HB2 TYR 24 HB2 TYR 24 -6.663 -0.656 0.201
158 HB3 TYR 24 HB3 TYR 24 -7.138 -2.208 0.861
159 HD1 TYR 24 HD1 TYR 24 -4.633 0.482 0.986
160 HD2 TYR 24 HD2 TYR 24 -5.832 -3.284 2.626
161 HE1 TYR 24 HE1 TYR 24 -3.042 0.818 2.941
162 HE2 TYR 24 HE2 TYR 24 -4.237 -2.935 4.575
163 HH TYR 24 HH TYR 24 -3.209 -0.420 5.630
164 H LYS 25 H LYS 25 -4.857 -0.343 -2.143
165 HA LYS 25 HA LYS 25 -2.156 -0.402 -1.074
166 HB2 LYS 25 HB2 LYS 25 -1.870 -1.888 -2.905
167 HB3 LYS 25 HB3 LYS 25 -2.850 -0.904 -3.972
168 HG2 LYS 25 HG2 LYS 25 -1.101 0.974 -3.612
169 HG3 LYS 25 HG3 LYS 25 -0.090 -0.244 -2.862
170 HD2 LYS 25 HD2 LYS 25 0.402 0.075 -5.310
171 HD3 LYS 25 HD3 LYS 25 -0.035 -1.574 -4.907
172 HE2 LYS 25 HE2 LYS 25 -2.249 0.308 -5.724
173 HE3 LYS 25 HE3 LYS 25 -1.170 -0.275 -6.975
174 HZ1 LYS 25 HZ1 LYS 25 -1.889 -2.415 -5.350
175 HZ2 LYS 25 HZ2 LYS 25 -3.254 -1.631 -5.783
176 HZ3 LYS 25 HZ3 LYS 25 -2.232 -2.184 -6.930
177 H LYS 26 H LYS 26 -1.777 1.634 -0.404
178 HA LYS 26 HA LYS 26 -3.080 3.782 -1.923
179 HB2 LYS 26 HB2 LYS 26 -2.632 5.057 0.300
180 HB3 LYS 26 HB3 LYS 26 -3.988 3.954 0.190
181 HG2 LYS 26 HG2 LYS 26 -2.660 2.160 1.270
182 HG3 LYS 26 HG3 LYS 26 -1.246 3.195 1.305
183 HD2 LYS 26 HD2 LYS 26 -3.823 4.125 2.608
184 HD3 LYS 26 HD3 LYS 26 -2.782 2.996 3.452
185 HE2 LYS 26 HE2 LYS 26 -1.888 5.011 4.213
186 HE3 LYS 26 HE3 LYS 26 -0.865 4.737 2.817
187 HZ1 LYS 26 HZ1 LYS 26 -2.083 6.968 3.119
188 HZ2 LYS 26 HZ2 LYS 26 -1.955 6.320 1.625
189 HZ3 LYS 26 HZ3 LYS 26 -3.356 6.191 2.454
190 H TRP 27 H TRP 27 -1.852 5.575 -2.597
191 HA TRP 27 HA TRP 27 0.945 5.669 -1.905
192 HB2 TRP 27 HB2 TRP 27 1.809 5.443 -4.118
193 HB3 TRP 27 HB3 TRP 27 0.916 3.994 -3.701
194 HD1 TRP 27 HD1 TRP 27 0.886 6.878 -6.198
195 HE1 TRP 27 HE1 TRP 27 -0.928 6.526 -8.083
196 HE3 TRP 27 HE3 TRP 27 -1.396 2.906 -3.991
197 HZ2 TRP 27 HZ2 TRP 27 -3.065 4.667 -8.431
198 HZ3 TRP 27 HZ3 TRP 27 -3.339 1.881 -5.170
199 HH2 TRP 27 HH2 TRP 27 -4.179 2.699 -7.315
200 H TRP 28 H TRP 28 1.817 7.778 -2.369
201 HA TRP 28 HA TRP 28 0.230 9.660 -3.835
202 HB2 TRP 28 HB2 TRP 28 -0.213 11.187 -2.022
203 HB3 TRP 28 HB3 TRP 28 -1.017 9.654 -1.750
204 HD1 TRP 28 HD1 TRP 28 1.452 11.999 -0.118
205 HE1 TRP 28 HE1 TRP 28 2.295 11.105 2.218
206 HE3 TRP 28 HE3 TRP 28 -0.467 7.317 -0.625
207 HZ2 TRP 28 HZ2 TRP 28 2.069 8.597 3.561
208 HZ3 TRP 28 HZ3 TRP 28 -0.111 5.707 1.244
209 HH2 TRP 28 HH2 TRP 28 1.107 6.283 3.284
210 H SER 29 H SER 29 1.409 11.911 -3.639
211 HA SER 29 HA SER 29 4.250 11.289 -3.569
212 HB2 SER 29 HB2 SER 29 4.577 12.853 -5.271
213 HB3 SER 29 HB3 SER 29 2.988 12.235 -5.677
214 HG SER 29 HG SER 29 2.114 14.156 -5.286
215 H ASP 30 H ASP 30 5.673 12.520 -2.274
216 HA ASP 30 HA ASP 30 4.381 14.607 -0.704
217 HB2 ASP 30 HB2 ASP 30 6.407 12.528 0.250
218 HB3 ASP 30 HB3 ASP 30 5.852 13.880 1.218
219 H HIS 31 H HIS 31 6.171 16.089 0.342
220 HA HIS 31 HA HIS 31 7.881 16.955 -1.708
221 HB2 HIS 31 HB2 HIS 31 7.494 17.692 1.187
222 HB3 HIS 31 HB3 HIS 31 8.802 18.394 0.256
223 HD1 HIS 31 HD1 HIS 31 8.235 20.480 -1.006
224 HD2 HIS 31 HD2 HIS 31 4.837 18.175 -0.149
225 HE1 HIS 31 HE1 HIS 31 6.229 21.840 -1.803
226 HE2 HIS 31 HE2 HIS 31 4.175 20.349 -1.300
227 H ARG 32 H ARG 32 8.110 14.337 0.454
228 HA ARG 32 HA ARG 32 11.003 14.500 0.477
229 HB2 ARG 32 HB2 ARG 32 9.132 12.569 1.941
230 HB3 ARG 32 HB3 ARG 32 10.869 12.646 2.154
231 HG2 ARG 32 HG2 ARG 32 10.504 15.156 2.770
232 HG3 ARG 32 HG3 ARG 32 8.804 14.751 2.906
233 HD2 ARG 32 HD2 ARG 32 11.033 13.316 4.429
234 HD3 ARG 32 HD3 ARG 32 10.058 14.608 5.100
235 HE ARG 32 HE ARG 32 8.300 12.611 4.044
236 HH11 ARG 32 HH22 ARG 32 10.577 13.073 6.687
237 HH12 ARG 32 HH21 ARG 32 9.780 11.953 7.739
238 HH21 ARG 32 HH12 ARG 32 7.248 11.132 5.432
239 HH22 ARG 32 HH11 ARG 32 7.873 10.841 7.021
240 H GLY 33 H GLY 33 8.217 12.769 -0.856
241 HA2 GLY 33 HA2 GLY 33 9.300 11.696 -3.042
242 HA3 GLY 33 HA3 GLY 33 9.814 10.541 -1.829
243 H THR 34 H THR 34 8.241 9.437 -3.675
244 HA THR 34 HA THR 34 5.452 9.715 -3.071
245 HB THR 34 HB THR 34 7.129 7.832 -4.802
246 HG1 THR 34 HG1 THR 34 6.634 10.286 -5.140
247 HG21 THR 34 HG21 THR 34 5.178 6.521 -4.564
248 HG22 THR 34 HG22 THR 34 4.153 7.938 -4.232
249 HG23 THR 34 HG23 THR 34 4.701 7.606 -5.893
250 H ILE 35 H ILE 35 4.451 8.931 -1.337
251 HA ILE 35 HA ILE 35 5.739 6.735 0.076
252 HB ILE 35 HB ILE 35 3.478 8.585 0.843
253 HG12 ILE 35 HG12 ILE 35 6.425 8.547 1.518
254 HG13 ILE 35 HG13 ILE 35 5.510 9.827 0.748
255 HG21 ILE 35 HG21 ILE 35 3.754 7.645 3.110
256 HG22 ILE 35 HG22 ILE 35 3.183 6.442 1.929
257 HG23 ILE 35 HG23 ILE 35 4.885 6.437 2.453
258 HD11 ILE 35 HD11 ILE 35 5.834 10.450 3.071
259 HD12 ILE 35 HD12 ILE 35 4.119 10.020 2.870
260 HD13 ILE 35 HD13 ILE 35 5.242 8.868 3.631
261 H ILE 36 H ILE 36 4.850 4.696 0.292
262 HA ILE 36 HA ILE 36 2.211 4.299 -0.903
263 HB ILE 36 HB ILE 36 4.508 2.447 -1.485
264 HG12 ILE 36 HG12 ILE 36 3.579 4.784 -3.180
265 HG13 ILE 36 HG13 ILE 36 5.117 4.665 -2.348
266 HG21 ILE 36 HG21 ILE 36 2.415 2.601 -3.465
267 HG22 ILE 36 HG22 ILE 36 2.984 1.207 -2.515
268 HG23 ILE 36 HG23 ILE 36 1.727 2.281 -1.855
269 HD11 ILE 36 HD11 ILE 36 5.708 2.653 -3.680
270 HD12 ILE 36 HD12 ILE 36 4.138 2.746 -4.513
271 HD13 ILE 36 HD13 ILE 36 5.342 4.038 -4.737
272 H GLU 37 H GLU 37 0.898 3.058 0.351
273 HA GLU 37 HA GLU 37 2.233 1.421 2.355
274 HB2 GLU 37 HB2 GLU 37 1.136 3.729 3.116
275 HB3 GLU 37 HB3 GLU 37 -0.358 2.817 3.026
276 HG2 GLU 37 HG2 GLU 37 0.360 1.243 4.684
277 HG3 GLU 37 HG3 GLU 37 2.042 1.708 4.525
278 H ARG 38 H ARG 38 1.673 -0.686 2.050
279 HA ARG 38 HA ARG 38 -0.950 -1.142 0.873
280 HB2 ARG 38 HB2 ARG 38 1.339 -3.150 0.843
281 HB3 ARG 38 HB3 ARG 38 -0.068 -3.106 -0.201
282 HG2 ARG 38 HG2 ARG 38 0.756 -0.983 -1.232
283 HG3 ARG 38 HG3 ARG 38 2.157 -1.011 -0.179
284 HD2 ARG 38 HD2 ARG 38 2.455 -3.480 -1.218
285 HD3 ARG 38 HD3 ARG 38 1.509 -2.797 -2.526
286 HE ARG 38 HE ARG 38 4.243 -2.008 -1.735
287 HH11 ARG 38 HH22 ARG 38 1.390 -1.230 -3.642
288 HH12 ARG 38 HH21 ARG 38 2.244 -0.182 -4.726
289 HH21 ARG 38 HH12 ARG 38 5.370 -0.626 -3.165
290 HH22 ARG 38 HH11 ARG 38 4.522 0.163 -4.453
291 H GLY 39 H GLY 39 -2.163 -3.062 1.668
292 HA2 GLY 39 HA2 GLY 39 -1.249 -4.582 3.886
293 HA3 GLY 39 HA3 GLY 39 -2.280 -3.272 4.426
294 H CYS 40 H CYS 40 -3.404 -5.551 5.033
295 HA CYS 40 HA CYS 40 -4.907 -6.607 2.817
296 HB2 CYS 40 HB2 CYS 40 -4.615 -7.317 5.718
297 HB3 CYS 40 HB3 CYS 40 -5.968 -7.941 4.797
298 H GLY 41 H GLY 41 -7.306 -6.585 2.809
299 HA2 GLY 41 HA2 GLY 41 -9.365 -5.800 3.566
300 HA3 GLY 41 HA3 GLY 41 -8.563 -4.605 4.566
301 H CYS 42 H CYS 42 -10.232 -3.140 3.515
302 HA CYS 42 HA CYS 42 -8.990 -1.913 1.211
303 HB2 CYS 42 HB2 CYS 42 -10.519 -3.391 0.116
304 HB3 CYS 42 HB3 CYS 42 -11.828 -2.943 1.191
305 HA PRO 43 HA PRO 43 -10.474 0.847 4.645
306 HB2 PRO 43 HB2 PRO 43 -8.143 2.275 4.728
307 HB3 PRO 43 HB3 PRO 43 -8.341 0.702 5.587
308 HG2 PRO 43 HG2 PRO 43 -7.104 1.273 2.913
309 HG3 PRO 43 HG3 PRO 43 -6.475 0.271 4.274
310 HD2 PRO 43 HD2 PRO 43 -7.713 -0.812 2.149
311 HD3 PRO 43 HD3 PRO 43 -7.915 -1.465 3.817
312 H LYS 44 H LYS 44 -10.162 3.444 4.640
313 HA LYS 44 HA LYS 44 -10.619 4.270 1.857
314 HB2 LYS 44 HB2 LYS 44 -12.687 4.360 3.073
315 HB3 LYS 44 HB3 LYS 44 -11.939 5.188 4.423
316 HG2 LYS 44 HG2 LYS 44 -11.755 6.449 1.681
317 HG3 LYS 44 HG3 LYS 44 -13.280 6.541 2.540
318 HD2 LYS 44 HD2 LYS 44 -11.758 7.341 4.575
319 HD3 LYS 44 HD3 LYS 44 -10.598 7.712 3.315
320 HE2 LYS 44 HE2 LYS 44 -12.302 9.127 2.153
321 HE3 LYS 44 HE3 LYS 44 -13.473 8.747 3.400
322 HZ1 LYS 44 HZ1 LYS 44 -10.901 9.864 4.177
323 HZ2 LYS 44 HZ2 LYS 44 -12.049 10.858 3.577
324 HZ3 LYS 44 HZ3 LYS 44 -12.347 9.987 4.926
325 H VAL 45 H VAL 45 -9.587 6.133 1.104
326 HA VAL 45 HA VAL 45 -7.583 7.210 2.965
327 HB VAL 45 HB VAL 45 -6.175 7.591 1.046
328 HG11 VAL 45 HG11 VAL 45 -7.289 4.770 1.168
329 HG12 VAL 45 HG12 VAL 45 -5.779 5.222 0.340
330 HG13 VAL 45 HG13 VAL 45 -5.927 5.437 2.101
331 HG21 VAL 45 HG21 VAL 45 -6.988 6.438 -1.172
332 HG22 VAL 45 HG22 VAL 45 -8.608 6.735 -0.496
333 HG23 VAL 45 HG23 VAL 45 -7.499 8.098 -0.782
334 H LYS 46 H LYS 46 -6.952 9.537 2.454
335 HA LYS 46 HA LYS 46 -9.406 11.030 2.141
336 HB2 LYS 46 HB2 LYS 46 -6.685 12.204 2.689
337 HB3 LYS 46 HB3 LYS 46 -8.262 12.822 3.137
338 HG2 LYS 46 HG2 LYS 46 -8.419 10.486 4.463
339 HG3 LYS 46 HG3 LYS 46 -6.670 10.586 4.392
340 HD2 LYS 46 HD2 LYS 46 -6.647 12.712 5.555
341 HD3 LYS 46 HD3 LYS 46 -8.378 12.914 5.368
342 HE2 LYS 46 HE2 LYS 46 -8.843 11.075 6.901
343 HE3 LYS 46 HE3 LYS 46 -7.158 10.594 6.930
344 HZ1 LYS 46 HZ1 LYS 46 -8.111 13.211 7.860
345 HZ2 LYS 46 HZ2 LYS 46 -7.854 11.933 8.843
346 HZ3 LYS 46 HZ3 LYS 46 -6.606 12.602 8.031
347 HA PRO 47 HA PRO 47 -9.038 12.674 -1.854
348 HB2 PRO 47 HB2 PRO 47 -8.569 15.376 -0.647
349 HB3 PRO 47 HB3 PRO 47 -9.821 14.843 -1.830
350 HG2 PRO 47 HG2 PRO 47 -10.457 15.262 0.703
351 HG3 PRO 47 HG3 PRO 47 -11.095 13.823 -0.177
352 HD2 PRO 47 HD2 PRO 47 -8.817 14.022 1.770
353 HD3 PRO 47 HD3 PRO 47 -10.132 12.793 1.663
354 H GLY 48 H GLY 48 -7.308 12.776 -3.341
355 HA2 GLY 48 HA2 GLY 48 -5.324 13.775 -4.130
356 HA3 GLY 48 HA3 GLY 48 -4.826 14.105 -2.482
357 H VAL 49 H VAL 49 -5.559 11.447 -1.399
358 HA VAL 49 HA VAL 49 -3.171 10.075 -2.232
359 HB VAL 49 HB VAL 49 -5.226 9.091 -0.268
360 HG11 VAL 49 HG11 VAL 49 -3.279 8.108 0.840
361 HG12 VAL 49 HG12 VAL 49 -3.360 7.594 -0.863
362 HG13 VAL 49 HG13 VAL 49 -2.199 8.849 -0.366
363 HG21 VAL 49 HG21 VAL 49 -3.349 10.459 1.248
364 HG22 VAL 49 HG22 VAL 49 -3.663 11.562 -0.113
365 HG23 VAL 49 HG23 VAL 49 -5.012 10.993 0.900
366 H ASN 50 H ASN 50 -3.072 7.981 -3.176
367 HA ASN 50 HA ASN 50 -5.456 7.400 -4.706
368 HB2 ASN 50 HB2 ASN 50 -2.526 6.579 -4.941
369 HB3 ASN 50 HB3 ASN 50 -3.764 5.761 -5.872
370 HD21 ASN 50 HD21 ASN 50 -1.826 8.553 -5.506
371 HD22 ASN 50 HD22 ASN 50 -2.369 9.454 -6.881
372 H LEU 51 H LEU 51 -6.349 5.196 -4.722
373 HA LEU 51 HA LEU 51 -5.194 3.289 -2.875
374 HB2 LEU 51 HB2 LEU 51 -6.537 4.503 -1.352
375 HB3 LEU 51 HB3 LEU 51 -7.886 4.576 -2.469
376 HG LEU 51 HG LEU 51 -8.247 2.161 -2.233
377 HD11 LEU 51 HD11 LEU 51 -6.472 0.916 -1.698
378 HD12 LEU 51 HD12 LEU 51 -5.628 2.282 -0.929
379 HD13 LEU 51 HD13 LEU 51 -6.836 1.352 -0.011
380 HD21 LEU 51 HD21 LEU 51 -8.348 2.553 0.565
381 HD22 LEU 51 HD22 LEU 51 -8.609 4.144 -0.190
382 HD23 LEU 51 HD23 LEU 51 -9.650 2.769 -0.630
383 H ASN 52 H ASN 52 -5.662 1.154 -3.446
384 HA ASN 52 HA ASN 52 -7.571 0.845 -5.609
385 HB2 ASN 52 HB2 ASN 52 -5.522 0.871 -6.850
386 HB3 ASN 52 HB3 ASN 52 -4.639 0.032 -5.591
387 HD21 ASN 52 HD21 ASN 52 -5.100 -2.199 -5.183
388 HD22 ASN 52 HD22 ASN 52 -5.667 -3.237 -6.448
389 H CYS 53 H CYS 53 -8.951 -0.858 -5.066
390 HA CYS 53 HA CYS 53 -7.927 -2.782 -3.108
391 HB2 CYS 53 HB2 CYS 53 -10.786 -1.917 -3.594
392 HB3 CYS 53 HB3 CYS 53 -10.269 -3.135 -2.444
393 H CYS 54 H CYS 54 -8.262 -5.026 -3.563
394 HA CYS 54 HA CYS 54 -9.711 -5.706 -5.961
395 HB2 CYS 54 HB2 CYS 54 -7.656 -7.138 -6.667
396 HB3 CYS 54 HB3 CYS 54 -7.782 -5.458 -7.149
397 H ARG 55 H ARG 55 -9.847 -8.194 -6.116
398 HA ARG 55 HA ARG 55 -9.731 -9.243 -3.404
399 HB2 ARG 55 HB2 ARG 55 -11.548 -10.005 -5.745
400 HB3 ARG 55 HB3 ARG 55 -11.535 -10.848 -4.209
401 HG2 ARG 55 HG2 ARG 55 -12.545 -9.084 -3.062
402 HG3 ARG 55 HG3 ARG 55 -11.860 -7.860 -4.113
403 HD2 ARG 55 HD2 ARG 55 -13.909 -9.813 -5.211
404 HD3 ARG 55 HD3 ARG 55 -14.439 -8.424 -4.283
405 HE ARG 55 HE ARG 55 -12.622 -7.408 -6.176
406 HH11 ARG 55 HH22 ARG 55 -15.685 -9.139 -6.239
407 HH12 ARG 55 HH21 ARG 55 -16.184 -8.459 -7.752
408 HH21 ARG 55 HH12 ARG 55 -13.280 -6.511 -8.172
409 HH22 ARG 55 HH11 ARG 55 -14.807 -6.954 -8.859
410 H THR 56 H THR 56 -7.345 -9.314 -4.827
411 HA THR 56 HA THR 56 -7.139 -12.170 -5.481
412 HB THR 56 HB THR 56 -5.372 -11.215 -7.235
413 HG1 THR 56 HG1 THR 56 -7.391 -9.119 -7.135
414 HG21 THR 56 HG21 THR 56 -7.189 -10.905 -8.951
415 HG22 THR 56 HG22 THR 56 -7.434 -12.381 -7.987
416 HG23 THR 56 HG23 THR 56 -8.396 -10.924 -7.642
417 H ASP 57 H ASP 57 -5.244 -13.200 -4.837
418 HA ASP 57 HA ASP 57 -4.096 -12.172 -2.559
419 HB2 ASP 57 HB2 ASP 57 -2.982 -14.263 -4.488
420 HB3 ASP 57 HB3 ASP 57 -2.431 -14.030 -2.841
421 H ARG 58 H ARG 58 -2.067 -11.091 -2.192
422 HA ARG 58 HA ARG 58 -0.586 -9.565 -2.685
423 HB2 ARG 58 HB2 ARG 58 0.419 -11.423 -4.878
424 HB3 ARG 58 HB3 ARG 58 1.366 -10.427 -3.790
425 HG2 ARG 58 HG2 ARG 58 0.279 -11.901 -1.884
426 HG3 ARG 58 HG3 ARG 58 -0.096 -13.016 -3.183
427 HD2 ARG 58 HD2 ARG 58 2.209 -13.382 -3.704
428 HD3 ARG 58 HD3 ARG 58 2.726 -11.930 -2.870
429 HE ARG 58 HE ARG 58 1.542 -13.455 -0.866
430 HH11 ARG 58 HH22 ARG 58 4.118 -14.009 -3.198
431 HH12 ARG 58 HH21 ARG 58 4.971 -15.123 -2.183
432 HH21 ARG 58 HH12 ARG 58 2.668 -14.925 0.474
433 HH22 ARG 58 HH11 ARG 58 4.141 -15.648 -0.080
434 H CYS 59 H CYS 59 -3.038 -9.082 -4.104
435 HA CYS 59 HA CYS 59 -2.302 -8.445 -6.815
436 HB2 CYS 59 HB2 CYS 59 -4.578 -7.872 -7.151
437 HB3 CYS 59 HB3 CYS 59 -4.529 -9.368 -6.240
438 H ASN 60 H ASN 60 -2.408 -7.015 -3.611
439 HA ASN 60 HA ASN 60 -2.398 -4.346 -4.704
440 HB2 ASN 60 HB2 ASN 60 -2.521 -3.617 -2.347
441 HB3 ASN 60 HB3 ASN 60 -3.722 -4.862 -2.627
442 HD21 ASN 60 HD21 ASN 60 -2.153 -3.908 -0.237
443 HD22 ASN 60 HD22 ASN 60 -1.481 -5.334 0.482
444 H ASN 61 H ASN 61 -0.173 -5.749 -5.597
445 HA ASN 61 HA ASN 61 1.975 -5.793 -3.851
446 HB2 ASN 61 HB2 ASN 61 2.255 -5.283 -6.841
447 HB3 ASN 61 HB3 ASN 61 3.311 -6.223 -5.806
448 HD21 ASN 61 HD21 ASN 61 3.008 -8.331 -5.590
449 HD22 ASN 61 HD22 ASN 61 1.673 -9.245 -6.208
Start of MODEL 12
1 H1 LEU 1 H1 LEU 1 -5.364 -15.803 2.417
2 H2 LEU 1 H2 LEU 1 -6.925 -15.783 1.864
3 H3 LEU 1 H3 LEU 1 -6.456 -14.738 3.060
4 HA LEU 1 HA LEU 1 -5.470 -14.773 0.322
5 HB2 LEU 1 HB2 LEU 1 -7.719 -14.041 0.292
6 HB3 LEU 1 HB3 LEU 1 -7.501 -13.041 1.715
7 HG LEU 1 HG LEU 1 -5.783 -11.739 0.229
8 HD11 LEU 1 HD11 LEU 1 -7.421 -13.202 -1.853
9 HD12 LEU 1 HD12 LEU 1 -6.487 -11.722 -2.177
10 HD13 LEU 1 HD13 LEU 1 -5.652 -13.203 -1.651
11 HD21 LEU 1 HD21 LEU 1 -7.606 -10.529 0.977
12 HD22 LEU 1 HD22 LEU 1 -7.804 -10.456 -0.790
13 HD23 LEU 1 HD23 LEU 1 -8.782 -11.592 0.168
14 H GLU 2 H GLU 2 -3.644 -13.573 -0.080
15 HA GLU 2 HA GLU 2 -2.526 -12.283 2.280
16 HB2 GLU 2 HB2 GLU 2 -1.009 -13.219 -0.189
17 HB3 GLU 2 HB3 GLU 2 -0.326 -12.720 1.346
18 HG2 GLU 2 HG2 GLU 2 -1.202 -14.666 2.484
19 HG3 GLU 2 HG3 GLU 2 -2.249 -15.074 1.140
20 H CYS 3 H CYS 3 -1.570 -10.170 2.088
21 HA CYS 3 HA CYS 3 -2.029 -8.849 -0.470
22 HB2 CYS 3 HB2 CYS 3 -2.810 -7.558 2.143
23 HB3 CYS 3 HB3 CYS 3 -3.085 -6.961 0.518
24 H HIS 4 H HIS 4 -0.366 -7.373 -0.974
25 HA HIS 4 HA HIS 4 2.026 -7.641 0.440
26 HB2 HIS 4 HB2 HIS 4 1.041 -5.947 -1.825
27 HB3 HIS 4 HB3 HIS 4 2.560 -5.519 -1.062
28 HD1 HIS 4 HD1 HIS 4 4.585 -7.128 -1.391
29 HD2 HIS 4 HD2 HIS 4 1.066 -8.370 -3.307
30 HE1 HIS 4 HE1 HIS 4 5.263 -8.998 -2.990
31 HE2 HIS 4 HE2 HIS 4 3.051 -9.757 -4.098
32 H ASN 5 H ASN 5 3.008 -6.419 2.033
33 HA ASN 5 HA ASN 5 1.379 -4.208 3.012
34 HB2 ASN 5 HB2 ASN 5 2.050 -4.762 5.250
35 HB3 ASN 5 HB3 ASN 5 1.696 -6.308 4.506
36 HD21 ASN 5 HD21 ASN 5 3.098 -7.824 4.903
37 HD22 ASN 5 HD22 ASN 5 4.801 -7.646 5.167
38 H GLN 6 H GLN 6 3.877 -4.671 1.053
39 HA GLN 6 HA GLN 6 6.059 -3.491 2.309
40 HB2 GLN 6 HB2 GLN 6 6.680 -2.995 -0.212
41 HB3 GLN 6 HB3 GLN 6 6.637 -4.647 0.372
42 HG2 GLN 6 HG2 GLN 6 4.695 -5.167 -0.795
43 HG3 GLN 6 HG3 GLN 6 4.045 -3.545 -0.660
44 HE21 GLN 6 HE21 GLN 6 7.348 -4.002 -1.609
45 HE22 GLN 6 HE22 GLN 6 7.193 -3.606 -3.288
46 H GLN 7 H GLN 7 6.839 -1.331 2.340
47 HA GLN 7 HA GLN 7 4.771 0.609 1.679
48 HB2 GLN 7 HB2 GLN 7 6.342 2.067 3.258
49 HB3 GLN 7 HB3 GLN 7 5.165 0.958 3.935
50 HG2 GLN 7 HG2 GLN 7 7.956 -0.044 3.316
51 HG3 GLN 7 HG3 GLN 7 7.690 0.903 4.766
52 HE21 GLN 7 HE21 GLN 7 6.472 0.114 6.441
53 HE22 GLN 7 HE22 GLN 7 5.982 -1.542 6.582
54 H SER 8 H SER 8 5.515 2.749 0.808
55 HA SER 8 HA SER 8 6.403 3.697 -0.976
56 HB2 SER 8 HB2 SER 8 8.996 3.151 0.532
57 HB3 SER 8 HB3 SER 8 8.699 4.471 -0.581
58 HG SER 8 HG SER 8 8.165 4.340 2.095
59 H SER 9 H SER 9 9.580 2.846 -1.272
60 HA SER 9 HA SER 9 8.923 0.964 -3.370
61 HB2 SER 9 HB2 SER 9 11.353 1.426 -4.060
62 HB3 SER 9 HB3 SER 9 10.237 2.771 -4.191
63 HG SER 9 HG SER 9 12.147 3.505 -3.176
64 H GLN 10 H GLN 10 9.619 0.809 -0.152
65 HA GLN 10 HA GLN 10 11.789 -0.699 0.241
66 HB2 GLN 10 HB2 GLN 10 9.089 -1.270 1.535
67 HB3 GLN 10 HB3 GLN 10 10.667 -1.601 2.221
68 HG2 GLN 10 HG2 GLN 10 9.376 1.106 1.720
69 HG3 GLN 10 HG3 GLN 10 9.933 0.443 3.243
70 HE21 GLN 10 HE21 GLN 10 10.710 2.234 0.458
71 HE22 GLN 10 HE22 GLN 10 12.390 2.525 0.762
72 HA PRO 11 HA PRO 11 11.617 -4.726 -1.422
73 HB2 PRO 11 HB2 PRO 11 11.444 -5.816 1.363
74 HB3 PRO 11 HB3 PRO 11 12.632 -6.176 0.056
75 HG2 PRO 11 HG2 PRO 11 13.305 -4.635 2.098
76 HG3 PRO 11 HG3 PRO 11 13.784 -4.190 0.417
77 HD2 PRO 11 HD2 PRO 11 11.537 -3.138 2.109
78 HD3 PRO 11 HD3 PRO 11 12.710 -2.244 1.072
79 HA PRO 12 HA PRO 12 7.345 -5.875 -1.706
80 HB2 PRO 12 HB2 PRO 12 8.542 -8.521 -2.445
81 HB3 PRO 12 HB3 PRO 12 7.340 -7.510 -3.332
82 HG2 PRO 12 HG2 PRO 12 9.859 -7.618 -4.133
83 HG3 PRO 12 HG3 PRO 12 8.978 -6.045 -4.087
84 HD2 PRO 12 HD2 PRO 12 10.963 -7.186 -2.144
85 HD3 PRO 12 HD3 PRO 12 10.841 -5.517 -2.814
86 H THR 13 H THR 13 6.034 -6.460 0.050
87 HA THR 13 HA THR 13 6.838 -8.827 1.594
88 HB THR 13 HB THR 13 5.914 -7.370 3.598
89 HG1 THR 13 HG1 THR 13 5.498 -5.311 2.904
90 HG21 THR 13 HG21 THR 13 8.131 -6.216 3.887
91 HG22 THR 13 HG22 THR 13 8.333 -7.927 3.441
92 HG23 THR 13 HG23 THR 13 8.554 -6.656 2.215
93 H THR 14 H THR 14 4.944 -9.568 3.047
94 HA THR 14 HA THR 14 2.356 -8.956 1.873
95 HB THR 14 HB THR 14 2.075 -11.573 1.664
96 HG1 THR 14 HG1 THR 14 4.030 -12.622 1.852
97 HG21 THR 14 HG21 THR 14 3.901 -9.999 -0.228
98 HG22 THR 14 HG22 THR 14 3.205 -11.594 -0.605
99 HG23 THR 14 HG23 THR 14 2.137 -10.188 -0.380
100 H LYS 15 H LYS 15 0.551 -9.836 3.144
101 HA LYS 15 HA LYS 15 1.258 -10.832 5.761
102 HB2 LYS 15 HB2 LYS 15 0.288 -9.050 7.015
103 HB3 LYS 15 HB3 LYS 15 1.486 -8.352 5.944
104 HG2 LYS 15 HG2 LYS 15 -0.182 -7.494 4.445
105 HG3 LYS 15 HG3 LYS 15 -1.436 -8.517 5.117
106 HD2 LYS 15 HD2 LYS 15 -1.396 -5.999 5.812
107 HD3 LYS 15 HD3 LYS 15 -1.670 -7.196 7.062
108 HE2 LYS 15 HE2 LYS 15 0.582 -7.035 7.878
109 HE3 LYS 15 HE3 LYS 15 1.143 -6.230 6.426
110 HZ1 LYS 15 HZ1 LYS 15 -0.929 -4.741 7.547
111 HZ2 LYS 15 HZ2 LYS 15 0.164 -5.062 8.717
112 HZ3 LYS 15 HZ3 LYS 15 0.634 -4.314 7.344
113 H THR 16 H THR 16 -0.533 -11.838 6.829
114 HA THR 16 HA THR 16 -2.533 -12.740 4.969
115 HB THR 16 HB THR 16 -2.395 -13.342 7.949
116 HG1 THR 16 HG1 THR 16 -0.489 -14.432 7.505
117 HG21 THR 16 HG21 THR 16 -2.621 -15.722 6.679
118 HG22 THR 16 HG22 THR 16 -4.053 -14.738 7.066
119 HG23 THR 16 HG23 THR 16 -3.356 -14.691 5.428
120 H CYS 17 H CYS 17 -4.632 -12.158 4.780
121 HA CYS 17 HA CYS 17 -5.393 -9.807 6.268
122 HB2 CYS 17 HB2 CYS 17 -7.096 -11.191 4.214
123 HB3 CYS 17 HB3 CYS 17 -7.101 -9.506 4.695
124 H SER 18 H SER 18 -6.605 -9.941 8.127
125 HA SER 18 HA SER 18 -7.870 -12.505 8.644
126 HB2 SER 18 HB2 SER 18 -7.540 -12.128 10.921
127 HB3 SER 18 HB3 SER 18 -6.147 -11.308 10.244
128 HG SER 18 HG SER 18 -6.984 -9.788 11.606
129 H GLY 19 H GLY 19 -10.055 -12.617 8.300
130 HA2 GLY 19 HA2 GLY 19 -12.243 -12.035 8.447
131 HA3 GLY 19 HA3 GLY 19 -11.798 -10.534 9.235
132 H GLU 20 H GLU 20 -9.769 -10.401 6.695
133 HA GLU 20 HA GLU 20 -11.754 -9.005 5.095
134 HB2 GLU 20 HB2 GLU 20 -8.750 -8.708 4.804
135 HB3 GLU 20 HB3 GLU 20 -10.003 -7.581 4.326
136 HG2 GLU 20 HG2 GLU 20 -10.605 -7.501 6.886
137 HG3 GLU 20 HG3 GLU 20 -9.028 -8.225 7.131
138 H THR 21 H THR 21 -11.423 -9.072 2.657
139 HA THR 21 HA THR 21 -10.074 -11.504 1.756
140 HB THR 21 HB THR 21 -12.254 -11.940 0.389
141 HG1 THR 21 HG1 THR 21 -14.100 -10.900 1.480
142 HG21 THR 21 HG21 THR 21 -13.476 -12.933 2.391
143 HG22 THR 21 HG22 THR 21 -11.769 -13.428 2.286
144 HG23 THR 21 HG23 THR 21 -12.261 -12.168 3.444
145 H ASN 22 H ASN 22 -9.891 -8.382 1.652
146 HA ASN 22 HA ASN 22 -9.496 -8.386 -1.229
147 HB2 ASN 22 HB2 ASN 22 -10.654 -6.095 0.446
148 HB3 ASN 22 HB3 ASN 22 -10.213 -5.955 -1.245
149 HD21 ASN 22 HD21 ASN 22 -12.350 -7.492 1.070
150 HD22 ASN 22 HD22 ASN 22 -13.614 -7.941 -0.026
151 H CYS 23 H CYS 23 -7.754 -6.807 -1.894
152 HA CYS 23 HA CYS 23 -5.997 -6.180 0.366
153 HB2 CYS 23 HB2 CYS 23 -5.165 -6.828 -2.468
154 HB3 CYS 23 HB3 CYS 23 -4.101 -6.484 -1.119
155 H TYR 24 H TYR 24 -5.206 -4.045 0.468
156 HA TYR 24 HA TYR 24 -6.175 -2.262 -1.666
157 HB2 TYR 24 HB2 TYR 24 -6.621 -0.697 0.125
158 HB3 TYR 24 HB3 TYR 24 -7.113 -2.234 0.808
159 HD1 TYR 24 HD1 TYR 24 -4.548 0.410 0.872
160 HD2 TYR 24 HD2 TYR 24 -5.851 -3.276 2.610
161 HE1 TYR 24 HE1 TYR 24 -2.954 0.758 2.822
162 HE2 TYR 24 HE2 TYR 24 -4.252 -2.915 4.554
163 HH TYR 24 HH TYR 24 -3.204 -0.618 5.619
164 H LYS 25 H LYS 25 -4.822 -0.413 -2.196
165 HA LYS 25 HA LYS 25 -2.093 -0.568 -1.182
166 HB2 LYS 25 HB2 LYS 25 -1.840 -1.909 -3.096
167 HB3 LYS 25 HB3 LYS 25 -2.926 -0.925 -4.057
168 HG2 LYS 25 HG2 LYS 25 -1.332 0.792 -4.360
169 HG3 LYS 25 HG3 LYS 25 -0.431 0.355 -2.922
170 HD2 LYS 25 HD2 LYS 25 0.997 -0.547 -4.506
171 HD3 LYS 25 HD3 LYS 25 -0.046 -1.937 -4.278
172 HE2 LYS 25 HE2 LYS 25 0.318 -1.384 -6.703
173 HE3 LYS 25 HE3 LYS 25 -1.375 -1.357 -6.250
174 HZ1 LYS 25 HZ1 LYS 25 -1.463 0.872 -6.455
175 HZ2 LYS 25 HZ2 LYS 25 0.090 1.126 -6.017
176 HZ3 LYS 25 HZ3 LYS 25 -0.259 0.608 -7.526
177 H LYS 26 H LYS 26 -1.591 1.410 -0.426
178 HA LYS 26 HA LYS 26 -2.937 3.684 -1.704
179 HB2 LYS 26 HB2 LYS 26 -1.702 3.879 1.015
180 HB3 LYS 26 HB3 LYS 26 -3.069 4.742 0.340
181 HG2 LYS 26 HG2 LYS 26 -4.475 2.723 0.465
182 HG3 LYS 26 HG3 LYS 26 -3.107 1.755 0.976
183 HD2 LYS 26 HD2 LYS 26 -4.396 4.046 2.529
184 HD3 LYS 26 HD3 LYS 26 -4.454 2.344 2.939
185 HE2 LYS 26 HE2 LYS 26 -1.870 2.425 3.066
186 HE3 LYS 26 HE3 LYS 26 -2.012 4.169 2.974
187 HZ1 LYS 26 HZ1 LYS 26 -2.730 4.258 5.056
188 HZ2 LYS 26 HZ2 LYS 26 -3.748 2.991 4.903
189 HZ3 LYS 26 HZ3 LYS 26 -2.167 2.734 5.222
190 H TRP 27 H TRP 27 -1.720 5.446 -2.426
191 HA TRP 27 HA TRP 27 1.094 5.547 -1.881
192 HB2 TRP 27 HB2 TRP 27 1.912 5.218 -4.079
193 HB3 TRP 27 HB3 TRP 27 0.978 3.803 -3.635
194 HD1 TRP 27 HD1 TRP 27 1.008 6.659 -6.168
195 HE1 TRP 27 HE1 TRP 27 -0.826 6.330 -8.037
196 HE3 TRP 27 HE3 TRP 27 -1.357 2.770 -3.902
197 HZ2 TRP 27 HZ2 TRP 27 -3.011 4.521 -8.350
198 HZ3 TRP 27 HZ3 TRP 27 -3.332 1.779 -5.056
199 HH2 TRP 27 HH2 TRP 27 -4.165 2.593 -7.205
200 H TRP 28 H TRP 28 1.898 7.660 -2.344
201 HA TRP 28 HA TRP 28 0.338 9.477 -3.901
202 HB2 TRP 28 HB2 TRP 28 -0.266 11.018 -2.163
203 HB3 TRP 28 HB3 TRP 28 -1.008 9.459 -1.862
204 HD1 TRP 28 HD1 TRP 28 1.422 11.929 -0.291
205 HE1 TRP 28 HE1 TRP 28 2.157 11.185 2.133
206 HE3 TRP 28 HE3 TRP 28 -0.595 7.268 -0.540
207 HZ2 TRP 28 HZ2 TRP 28 1.819 8.785 3.639
208 HZ3 TRP 28 HZ3 TRP 28 -0.347 5.787 1.451
209 HH2 TRP 28 HH2 TRP 28 0.810 6.479 3.489
210 H SER 29 H SER 29 1.448 11.774 -3.644
211 HA SER 29 HA SER 29 4.294 11.212 -3.486
212 HB2 SER 29 HB2 SER 29 4.637 12.966 -5.050
213 HB3 SER 29 HB3 SER 29 3.199 12.145 -5.623
214 HG SER 29 HG SER 29 1.982 13.879 -5.199
215 H ASP 30 H ASP 30 5.723 12.846 -2.457
216 HA ASP 30 HA ASP 30 4.344 14.735 -0.769
217 HB2 ASP 30 HB2 ASP 30 6.355 12.694 0.293
218 HB3 ASP 30 HB3 ASP 30 5.664 14.005 1.228
219 H HIS 31 H HIS 31 6.122 16.179 0.380
220 HA HIS 31 HA HIS 31 7.911 17.048 -1.607
221 HB2 HIS 31 HB2 HIS 31 7.579 17.765 1.315
222 HB3 HIS 31 HB3 HIS 31 8.730 18.559 0.258
223 HD1 HIS 31 HD1 HIS 31 6.147 19.890 1.654
224 HD2 HIS 31 HD2 HIS 31 6.503 18.708 -2.355
225 HE1 HIS 31 HE1 HIS 31 4.436 21.261 0.349
226 HE2 HIS 31 HE2 HIS 31 4.740 20.531 -2.115
227 H ARG 32 H ARG 32 8.032 14.429 0.571
228 HA ARG 32 HA ARG 32 10.925 14.561 0.689
229 HB2 ARG 32 HB2 ARG 32 9.059 12.579 2.082
230 HB3 ARG 32 HB3 ARG 32 10.761 12.818 2.421
231 HG2 ARG 32 HG2 ARG 32 8.704 15.050 2.713
232 HG3 ARG 32 HG3 ARG 32 9.109 13.966 4.029
233 HD2 ARG 32 HD2 ARG 32 11.625 14.677 3.380
234 HD3 ARG 32 HD3 ARG 32 10.816 16.084 2.720
235 HE ARG 32 HE ARG 32 11.168 15.464 5.532
236 HH11 ARG 32 HH22 ARG 32 8.984 17.030 3.260
237 HH12 ARG 32 HH21 ARG 32 8.314 18.101 4.446
238 HH21 ARG 32 HH12 ARG 32 10.284 16.876 7.096
239 HH22 ARG 32 HH11 ARG 32 9.058 18.013 6.642
240 H GLY 33 H GLY 33 8.164 12.854 -0.722
241 HA2 GLY 33 HA2 GLY 33 9.325 11.745 -2.858
242 HA3 GLY 33 HA3 GLY 33 9.748 10.587 -1.612
243 H THR 34 H THR 34 8.313 9.300 -3.294
244 HA THR 34 HA THR 34 5.472 9.722 -2.900
245 HB THR 34 HB THR 34 7.206 7.835 -4.565
246 HG1 THR 34 HG1 THR 34 6.710 9.440 -6.024
247 HG21 THR 34 HG21 THR 34 4.616 7.754 -5.596
248 HG22 THR 34 HG22 THR 34 5.370 6.448 -4.650
249 HG23 THR 34 HG23 THR 34 4.329 7.645 -3.843
250 H ILE 35 H ILE 35 4.474 9.041 -1.118
251 HA ILE 35 HA ILE 35 5.655 6.845 0.359
252 HB ILE 35 HB ILE 35 3.325 8.666 0.974
253 HG12 ILE 35 HG12 ILE 35 6.251 8.755 1.722
254 HG13 ILE 35 HG13 ILE 35 5.292 9.990 0.930
255 HG21 ILE 35 HG21 ILE 35 4.748 6.643 2.726
256 HG22 ILE 35 HG22 ILE 35 3.512 7.805 3.266
257 HG23 ILE 35 HG23 ILE 35 3.084 6.525 2.105
258 HD11 ILE 35 HD11 ILE 35 4.987 9.029 3.811
259 HD12 ILE 35 HD12 ILE 35 5.589 10.615 3.271
260 HD13 ILE 35 HD13 ILE 35 3.881 10.178 3.019
261 H ILE 36 H ILE 36 4.879 4.779 0.414
262 HA ILE 36 HA ILE 36 2.279 4.337 -0.870
263 HB ILE 36 HB ILE 36 4.661 2.532 -1.245
264 HG12 ILE 36 HG12 ILE 36 3.703 4.739 -3.092
265 HG13 ILE 36 HG13 ILE 36 5.201 4.739 -2.183
266 HG21 ILE 36 HG21 ILE 36 2.516 2.594 -3.248
267 HG22 ILE 36 HG22 ILE 36 3.315 1.216 -2.453
268 HG23 ILE 36 HG23 ILE 36 1.985 2.069 -1.633
269 HD11 ILE 36 HD11 ILE 36 5.633 4.013 -4.490
270 HD12 ILE 36 HD12 ILE 36 5.913 2.651 -3.379
271 HD13 ILE 36 HD13 ILE 36 4.415 2.724 -4.338
272 H GLU 37 H GLU 37 0.885 3.348 0.482
273 HA GLU 37 HA GLU 37 2.073 1.621 2.506
274 HB2 GLU 37 HB2 GLU 37 -0.003 3.802 2.841
275 HB3 GLU 37 HB3 GLU 37 0.032 2.446 3.950
276 HG2 GLU 37 HG2 GLU 37 2.437 2.928 4.460
277 HG3 GLU 37 HG3 GLU 37 2.397 4.289 3.357
278 H ARG 38 H ARG 38 1.390 -0.446 2.174
279 HA ARG 38 HA ARG 38 -1.320 -0.731 1.145
280 HB2 ARG 38 HB2 ARG 38 0.889 -2.775 0.676
281 HB3 ARG 38 HB3 ARG 38 -0.624 -2.606 -0.193
282 HG2 ARG 38 HG2 ARG 38 0.117 -0.525 -1.236
283 HG3 ARG 38 HG3 ARG 38 1.540 -0.454 -0.215
284 HD2 ARG 38 HD2 ARG 38 1.967 -2.900 -1.311
285 HD3 ARG 38 HD3 ARG 38 0.996 -2.212 -2.597
286 HE ARG 38 HE ARG 38 3.220 -0.523 -1.612
287 HH11 ARG 38 HH22 ARG 38 2.067 -2.785 -4.049
288 HH12 ARG 38 HH21 ARG 38 3.274 -2.347 -5.211
289 HH21 ARG 38 HH12 ARG 38 4.813 0.056 -3.145
290 HH22 ARG 38 HH11 ARG 38 4.847 -0.720 -4.693
291 H GLY 39 H GLY 39 -2.354 -2.903 1.767
292 HA2 GLY 39 HA2 GLY 39 -1.251 -4.505 3.816
293 HA3 GLY 39 HA3 GLY 39 -2.297 -3.291 4.524
294 H CYS 40 H CYS 40 -3.396 -5.519 5.091
295 HA CYS 40 HA CYS 40 -4.894 -6.635 2.910
296 HB2 CYS 40 HB2 CYS 40 -4.589 -7.259 5.827
297 HB3 CYS 40 HB3 CYS 40 -5.948 -7.916 4.937
298 H GLY 41 H GLY 41 -7.276 -6.608 2.842
299 HA2 GLY 41 HA2 GLY 41 -9.358 -5.839 3.544
300 HA3 GLY 41 HA3 GLY 41 -8.592 -4.640 4.567
301 H CYS 42 H CYS 42 -10.257 -3.197 3.471
302 HA CYS 42 HA CYS 42 -8.970 -1.968 1.185
303 HB2 CYS 42 HB2 CYS 42 -10.507 -3.432 0.084
304 HB3 CYS 42 HB3 CYS 42 -11.817 -2.972 1.154
305 HA PRO 43 HA PRO 43 -10.440 0.817 4.603
306 HB2 PRO 43 HB2 PRO 43 -8.097 2.225 4.688
307 HB3 PRO 43 HB3 PRO 43 -8.311 0.657 5.551
308 HG2 PRO 43 HG2 PRO 43 -7.062 1.208 2.879
309 HG3 PRO 43 HG3 PRO 43 -6.446 0.205 4.246
310 HD2 PRO 43 HD2 PRO 43 -7.687 -0.875 2.120
311 HD3 PRO 43 HD3 PRO 43 -7.899 -1.520 3.791
312 H LYS 44 H LYS 44 -10.123 3.408 4.592
313 HA LYS 44 HA LYS 44 -10.546 4.232 1.803
314 HB2 LYS 44 HB2 LYS 44 -11.913 5.116 4.353
315 HB3 LYS 44 HB3 LYS 44 -11.989 6.049 2.871
316 HG2 LYS 44 HG2 LYS 44 -13.066 4.237 1.673
317 HG3 LYS 44 HG3 LYS 44 -12.728 3.093 2.956
318 HD2 LYS 44 HD2 LYS 44 -14.134 4.854 4.426
319 HD3 LYS 44 HD3 LYS 44 -14.798 5.286 2.863
320 HE2 LYS 44 HE2 LYS 44 -14.643 2.362 3.641
321 HE3 LYS 44 HE3 LYS 44 -15.921 3.356 4.310
322 HZ1 LYS 44 HZ1 LYS 44 -15.359 2.991 1.449
323 HZ2 LYS 44 HZ2 LYS 44 -16.616 2.352 2.273
324 HZ3 LYS 44 HZ3 LYS 44 -16.522 3.967 2.050
325 H VAL 45 H VAL 45 -9.490 6.081 1.058
326 HA VAL 45 HA VAL 45 -7.519 7.167 2.950
327 HB VAL 45 HB VAL 45 -6.074 7.531 1.055
328 HG11 VAL 45 HG11 VAL 45 -5.800 5.400 2.104
329 HG12 VAL 45 HG12 VAL 45 -7.198 4.721 1.237
330 HG13 VAL 45 HG13 VAL 45 -5.714 5.135 0.346
331 HG21 VAL 45 HG21 VAL 45 -7.440 8.036 -0.771
332 HG22 VAL 45 HG22 VAL 45 -6.797 6.428 -1.180
333 HG23 VAL 45 HG23 VAL 45 -8.451 6.589 -0.544
334 H LYS 46 H LYS 46 -6.873 9.489 2.436
335 HA LYS 46 HA LYS 46 -9.318 10.984 2.060
336 HB2 LYS 46 HB2 LYS 46 -6.609 12.160 2.660
337 HB3 LYS 46 HB3 LYS 46 -8.196 12.778 3.073
338 HG2 LYS 46 HG2 LYS 46 -8.376 10.448 4.406
339 HG3 LYS 46 HG3 LYS 46 -6.627 10.551 4.371
340 HD2 LYS 46 HD2 LYS 46 -8.612 12.354 5.746
341 HD3 LYS 46 HD3 LYS 46 -7.104 11.702 6.355
342 HE2 LYS 46 HE2 LYS 46 -6.024 13.226 4.444
343 HE3 LYS 46 HE3 LYS 46 -7.545 14.090 4.549
344 HZ1 LYS 46 HZ1 LYS 46 -6.905 14.984 6.443
345 HZ2 LYS 46 HZ2 LYS 46 -6.514 13.547 7.113
346 HZ3 LYS 46 HZ3 LYS 46 -5.415 14.356 6.215
347 HA PRO 47 HA PRO 47 -8.853 12.618 -1.929
348 HB2 PRO 47 HB2 PRO 47 -8.371 15.319 -0.724
349 HB3 PRO 47 HB3 PRO 47 -9.607 14.797 -1.929
350 HG2 PRO 47 HG2 PRO 47 -10.285 15.236 0.590
351 HG3 PRO 47 HG3 PRO 47 -10.926 13.801 -0.296
352 HD2 PRO 47 HD2 PRO 47 -8.682 13.979 1.693
353 HD3 PRO 47 HD3 PRO 47 -10.011 12.767 1.566
354 H GLY 48 H GLY 48 -7.094 12.691 -3.384
355 HA2 GLY 48 HA2 GLY 48 -5.083 13.664 -4.138
356 HA3 GLY 48 HA3 GLY 48 -4.611 13.987 -2.482
357 H VAL 49 H VAL 49 -5.402 11.340 -1.412
358 HA VAL 49 HA VAL 49 -3.018 9.935 -2.197
359 HB VAL 49 HB VAL 49 -5.119 8.954 -0.286
360 HG11 VAL 49 HG11 VAL 49 -3.154 8.036 0.895
361 HG12 VAL 49 HG12 VAL 49 -3.258 7.453 -0.783
362 HG13 VAL 49 HG13 VAL 49 -2.091 8.726 -0.355
363 HG21 VAL 49 HG21 VAL 49 -3.584 11.440 -0.084
364 HG22 VAL 49 HG22 VAL 49 -4.961 10.861 0.883
365 HG23 VAL 49 HG23 VAL 49 -3.308 10.340 1.288
366 H ASN 50 H ASN 50 -2.929 7.840 -3.140
367 HA ASN 50 HA ASN 50 -5.290 7.292 -4.719
368 HB2 ASN 50 HB2 ASN 50 -2.356 6.494 -4.909
369 HB3 ASN 50 HB3 ASN 50 -3.564 5.609 -5.820
370 HD21 ASN 50 HD21 ASN 50 -1.712 8.471 -5.531
371 HD22 ASN 50 HD22 ASN 50 -2.268 9.308 -6.942
372 H LEU 51 H LEU 51 -6.281 5.159 -4.681
373 HA LEU 51 HA LEU 51 -5.159 3.212 -2.841
374 HB2 LEU 51 HB2 LEU 51 -6.516 4.459 -1.351
375 HB3 LEU 51 HB3 LEU 51 -7.844 4.533 -2.493
376 HG LEU 51 HG LEU 51 -8.291 2.165 -2.223
377 HD11 LEU 51 HD11 LEU 51 -6.573 0.820 -1.771
378 HD12 LEU 51 HD12 LEU 51 -5.609 2.143 -1.073
379 HD13 LEU 51 HD13 LEU 51 -6.797 1.280 -0.066
380 HD21 LEU 51 HD21 LEU 51 -9.593 2.761 -0.532
381 HD22 LEU 51 HD22 LEU 51 -8.234 2.521 0.592
382 HD23 LEU 51 HD23 LEU 51 -8.508 4.118 -0.144
383 H ASN 52 H ASN 52 -5.594 1.095 -3.455
384 HA ASN 52 HA ASN 52 -7.497 0.795 -5.625
385 HB2 ASN 52 HB2 ASN 52 -5.292 0.915 -6.717
386 HB3 ASN 52 HB3 ASN 52 -4.612 -0.228 -5.575
387 HD21 ASN 52 HD21 ASN 52 -7.465 0.026 -7.701
388 HD22 ASN 52 HD22 ASN 52 -7.362 -1.557 -8.395
389 H CYS 53 H CYS 53 -8.900 -0.870 -5.043
390 HA CYS 53 HA CYS 53 -7.878 -2.821 -3.113
391 HB2 CYS 53 HB2 CYS 53 -10.736 -1.957 -3.603
392 HB3 CYS 53 HB3 CYS 53 -10.216 -3.168 -2.448
393 H CYS 54 H CYS 54 -8.311 -5.074 -3.541
394 HA CYS 54 HA CYS 54 -9.718 -5.731 -5.963
395 HB2 CYS 54 HB2 CYS 54 -7.673 -7.189 -6.650
396 HB3 CYS 54 HB3 CYS 54 -7.780 -5.510 -7.138
397 H ARG 55 H ARG 55 -9.881 -8.218 -6.121
398 HA ARG 55 HA ARG 55 -9.797 -9.270 -3.410
399 HB2 ARG 55 HB2 ARG 55 -11.615 -10.000 -5.761
400 HB3 ARG 55 HB3 ARG 55 -11.619 -10.850 -4.228
401 HG2 ARG 55 HG2 ARG 55 -12.612 -9.079 -3.078
402 HG3 ARG 55 HG3 ARG 55 -11.902 -7.858 -4.116
403 HD2 ARG 55 HD2 ARG 55 -14.028 -9.779 -5.154
404 HD3 ARG 55 HD3 ARG 55 -14.462 -8.289 -4.339
405 HE ARG 55 HE ARG 55 -13.253 -8.541 -7.010
406 HH11 ARG 55 HH22 ARG 55 -13.939 -6.390 -4.311
407 HH12 ARG 55 HH21 ARG 55 -13.816 -4.948 -5.262
408 HH21 ARG 55 HH12 ARG 55 -13.090 -6.639 -8.266
409 HH22 ARG 55 HH11 ARG 55 -13.329 -5.090 -7.527
410 H THR 56 H THR 56 -7.403 -9.379 -4.804
411 HA THR 56 HA THR 56 -7.230 -12.237 -5.450
412 HB THR 56 HB THR 56 -5.466 -11.318 -7.225
413 HG1 THR 56 HG1 THR 56 -6.805 -9.200 -7.926
414 HG21 THR 56 HG21 THR 56 -8.490 -11.003 -7.615
415 HG22 THR 56 HG22 THR 56 -7.292 -11.003 -8.932
416 HG23 THR 56 HG23 THR 56 -7.542 -12.470 -7.955
417 H ASP 57 H ASP 57 -5.338 -13.276 -4.809
418 HA ASP 57 HA ASP 57 -4.168 -12.234 -2.547
419 HB2 ASP 57 HB2 ASP 57 -3.116 -14.365 -4.468
420 HB3 ASP 57 HB3 ASP 57 -2.501 -14.105 -2.848
421 H ARG 58 H ARG 58 -2.126 -11.170 -2.203
422 HA ARG 58 HA ARG 58 -0.640 -9.656 -2.723
423 HB2 ARG 58 HB2 ARG 58 0.339 -11.562 -4.887
424 HB3 ARG 58 HB3 ARG 58 1.302 -10.545 -3.833
425 HG2 ARG 58 HG2 ARG 58 0.233 -11.965 -1.881
426 HG3 ARG 58 HG3 ARG 58 -0.170 -13.109 -3.146
427 HD2 ARG 58 HD2 ARG 58 2.265 -13.150 -3.834
428 HD3 ARG 58 HD3 ARG 58 2.636 -12.084 -2.494
429 HE ARG 58 HE ARG 58 2.377 -13.880 -1.001
430 HH11 ARG 58 HH22 ARG 58 1.070 -14.761 -4.147
431 HH12 ARG 58 HH21 ARG 58 0.854 -16.429 -3.733
432 HH21 ARG 58 HH12 ARG 58 2.093 -16.081 -0.454
433 HH22 ARG 58 HH11 ARG 58 1.440 -17.185 -1.618
434 H CYS 59 H CYS 59 -3.086 -9.158 -4.131
435 HA CYS 59 HA CYS 59 -2.371 -8.582 -6.860
436 HB2 CYS 59 HB2 CYS 59 -4.643 -7.939 -7.163
437 HB3 CYS 59 HB3 CYS 59 -4.606 -9.445 -6.267
438 H ASN 60 H ASN 60 -2.434 -7.082 -3.680
439 HA ASN 60 HA ASN 60 -2.371 -4.438 -4.825
440 HB2 ASN 60 HB2 ASN 60 -2.396 -3.676 -2.454
441 HB3 ASN 60 HB3 ASN 60 -3.682 -4.833 -2.738
442 HD21 ASN 60 HD21 ASN 60 -2.108 -4.018 -0.327
443 HD22 ASN 60 HD22 ASN 60 -1.516 -5.485 0.378
444 H ASN 61 H ASN 61 -0.185 -6.051 -5.637
445 HA ASN 61 HA ASN 61 1.970 -5.431 -3.821
446 HB2 ASN 61 HB2 ASN 61 3.206 -7.077 -4.960
447 HB3 ASN 61 HB3 ASN 61 1.578 -7.679 -5.205
448 HD21 ASN 61 HD21 ASN 61 4.222 -7.692 -6.743
449 HD22 ASN 61 HD22 ASN 61 3.798 -7.261 -8.366
Start of MODEL 13
1 H1 LEU 1 H1 LEU 1 -5.707 -16.082 2.030
2 H2 LEU 1 H2 LEU 1 -7.218 -15.413 2.129
3 H3 LEU 1 H3 LEU 1 -6.004 -14.863 3.110
4 HA LEU 1 HA LEU 1 -5.542 -14.789 0.293
5 HB2 LEU 1 HB2 LEU 1 -7.781 -14.037 0.271
6 HB3 LEU 1 HB3 LEU 1 -7.555 -13.051 1.702
7 HG LEU 1 HG LEU 1 -5.833 -11.744 0.226
8 HD11 LEU 1 HD11 LEU 1 -6.536 -11.700 -2.178
9 HD12 LEU 1 HD12 LEU 1 -5.719 -13.197 -1.667
10 HD13 LEU 1 HD13 LEU 1 -7.487 -13.172 -1.869
11 HD21 LEU 1 HD21 LEU 1 -7.668 -10.555 1.008
12 HD22 LEU 1 HD22 LEU 1 -7.826 -10.420 -0.759
13 HD23 LEU 1 HD23 LEU 1 -8.835 -11.579 0.138
14 H GLU 2 H GLU 2 -3.715 -13.593 -0.126
15 HA GLU 2 HA GLU 2 -2.564 -12.322 2.229
16 HB2 GLU 2 HB2 GLU 2 -1.013 -13.150 -0.246
17 HB3 GLU 2 HB3 GLU 2 -0.396 -12.839 1.364
18 HG2 GLU 2 HG2 GLU 2 -1.876 -14.834 2.140
19 HG3 GLU 2 HG3 GLU 2 -2.061 -15.214 0.439
20 H CYS 3 H CYS 3 -1.619 -10.210 2.048
21 HA CYS 3 HA CYS 3 -2.083 -8.872 -0.501
22 HB2 CYS 3 HB2 CYS 3 -2.862 -7.612 2.129
23 HB3 CYS 3 HB3 CYS 3 -3.122 -6.980 0.515
24 H HIS 4 H HIS 4 -0.415 -7.405 -1.005
25 HA HIS 4 HA HIS 4 1.981 -7.684 0.394
26 HB2 HIS 4 HB2 HIS 4 0.984 -5.960 -1.844
27 HB3 HIS 4 HB3 HIS 4 2.510 -5.546 -1.087
28 HD1 HIS 4 HD1 HIS 4 4.533 -7.131 -1.482
29 HD2 HIS 4 HD2 HIS 4 0.983 -8.392 -3.327
30 HE1 HIS 4 HE1 HIS 4 5.190 -8.991 -3.100
31 HE2 HIS 4 HE2 HIS 4 2.961 -9.763 -4.164
32 H ASN 5 H ASN 5 3.116 -6.282 1.804
33 HA ASN 5 HA ASN 5 1.458 -4.134 2.870
34 HB2 ASN 5 HB2 ASN 5 2.087 -4.705 5.106
35 HB3 ASN 5 HB3 ASN 5 1.766 -6.257 4.358
36 HD21 ASN 5 HD21 ASN 5 3.826 -4.638 6.285
37 HD22 ASN 5 HD22 ASN 5 5.299 -5.519 6.049
38 H GLN 6 H GLN 6 3.852 -4.522 0.851
39 HA GLN 6 HA GLN 6 6.123 -3.481 2.072
40 HB2 GLN 6 HB2 GLN 6 7.063 -3.540 -0.052
41 HB3 GLN 6 HB3 GLN 6 5.733 -4.661 -0.270
42 HG2 GLN 6 HG2 GLN 6 4.328 -2.676 -1.093
43 HG3 GLN 6 HG3 GLN 6 5.795 -1.718 -1.074
44 HE21 GLN 6 HE21 GLN 6 7.682 -3.536 -1.890
45 HE22 GLN 6 HE22 GLN 6 7.408 -4.008 -3.534
46 H GLN 7 H GLN 7 6.846 -1.378 2.430
47 HA GLN 7 HA GLN 7 4.880 0.674 1.798
48 HB2 GLN 7 HB2 GLN 7 6.934 0.398 4.013
49 HB3 GLN 7 HB3 GLN 7 6.250 1.963 3.620
50 HG2 GLN 7 HG2 GLN 7 4.351 -0.351 4.006
51 HG3 GLN 7 HG3 GLN 7 5.105 0.338 5.431
52 HE21 GLN 7 HE21 GLN 7 2.556 0.575 5.488
53 HE22 GLN 7 HE22 GLN 7 1.966 2.150 5.073
54 H SER 8 H SER 8 5.527 2.626 0.766
55 HA SER 8 HA SER 8 6.623 3.729 -0.764
56 HB2 SER 8 HB2 SER 8 9.139 3.181 0.857
57 HB3 SER 8 HB3 SER 8 8.780 4.598 -0.109
58 HG SER 8 HG SER 8 6.932 3.997 1.959
59 H SER 9 H SER 9 9.784 3.091 -0.975
60 HA SER 9 HA SER 9 9.347 1.161 -3.080
61 HB2 SER 9 HB2 SER 9 11.971 2.562 -2.488
62 HB3 SER 9 HB3 SER 9 11.406 1.917 -4.016
63 HG SER 9 HG SER 9 11.237 4.420 -3.281
64 H GLN 10 H GLN 10 9.441 0.585 -0.052
65 HA GLN 10 HA GLN 10 11.877 -0.702 0.442
66 HB2 GLN 10 HB2 GLN 10 9.183 -1.245 1.761
67 HB3 GLN 10 HB3 GLN 10 10.764 -1.587 2.435
68 HG2 GLN 10 HG2 GLN 10 11.274 0.720 2.748
69 HG3 GLN 10 HG3 GLN 10 10.051 1.245 1.608
70 HE21 GLN 10 HE21 GLN 10 8.982 2.586 2.967
71 HE22 GLN 10 HE22 GLN 10 8.054 2.071 4.336
72 HA PRO 11 HA PRO 11 11.659 -4.753 -1.161
73 HB2 PRO 11 HB2 PRO 11 11.423 -5.812 1.632
74 HB3 PRO 11 HB3 PRO 11 12.625 -6.206 0.347
75 HG2 PRO 11 HG2 PRO 11 13.294 -4.658 2.384
76 HG3 PRO 11 HG3 PRO 11 13.807 -4.239 0.707
77 HD2 PRO 11 HD2 PRO 11 11.553 -3.130 2.354
78 HD3 PRO 11 HD3 PRO 11 12.758 -2.267 1.327
79 HA PRO 12 HA PRO 12 7.278 -5.555 -1.432
80 HB2 PRO 12 HB2 PRO 12 8.355 -8.041 -2.711
81 HB3 PRO 12 HB3 PRO 12 7.139 -6.861 -3.327
82 HG2 PRO 12 HG2 PRO 12 9.608 -6.868 -4.277
83 HG3 PRO 12 HG3 PRO 12 8.778 -5.313 -3.893
84 HD2 PRO 12 HD2 PRO 12 10.827 -6.832 -2.308
85 HD3 PRO 12 HD3 PRO 12 10.720 -5.066 -2.653
86 H THR 13 H THR 13 6.054 -6.419 0.271
87 HA THR 13 HA THR 13 6.847 -9.058 1.289
88 HB THR 13 HB THR 13 6.133 -7.986 3.593
89 HG1 THR 13 HG1 THR 13 6.017 -5.748 3.470
90 HG21 THR 13 HG21 THR 13 8.499 -8.553 3.224
91 HG22 THR 13 HG22 THR 13 8.699 -7.155 2.141
92 HG23 THR 13 HG23 THR 13 8.417 -6.901 3.880
93 H THR 14 H THR 14 4.978 -9.869 2.840
94 HA THR 14 HA THR 14 2.382 -9.037 1.807
95 HB THR 14 HB THR 14 1.967 -11.623 1.471
96 HG1 THR 14 HG1 THR 14 3.893 -12.580 2.071
97 HG21 THR 14 HG21 THR 14 3.705 -9.905 -0.361
98 HG22 THR 14 HG22 THR 14 3.203 -11.552 -0.814
99 HG23 THR 14 HG23 THR 14 1.977 -10.291 -0.543
100 H LYS 15 H LYS 15 0.571 -9.876 3.086
101 HA LYS 15 HA LYS 15 1.313 -11.026 5.637
102 HB2 LYS 15 HB2 LYS 15 0.284 -9.258 6.953
103 HB3 LYS 15 HB3 LYS 15 1.630 -8.631 6.023
104 HG2 LYS 15 HG2 LYS 15 0.060 -7.754 4.302
105 HG3 LYS 15 HG3 LYS 15 -1.300 -8.428 5.179
106 HD2 LYS 15 HD2 LYS 15 0.532 -6.154 6.029
107 HD3 LYS 15 HD3 LYS 15 -1.206 -6.112 5.808
108 HE2 LYS 15 HE2 LYS 15 -1.297 -7.894 7.727
109 HE3 LYS 15 HE3 LYS 15 0.362 -7.433 8.055
110 HZ1 LYS 15 HZ1 LYS 15 -0.439 -5.716 9.145
111 HZ2 LYS 15 HZ2 LYS 15 -1.073 -5.103 7.771
112 HZ3 LYS 15 HZ3 LYS 15 -1.977 -6.071 8.726
113 H THR 16 H THR 16 -0.493 -12.004 6.727
114 HA THR 16 HA THR 16 -2.533 -12.829 4.880
115 HB THR 16 HB THR 16 -2.381 -13.456 7.856
116 HG1 THR 16 HG1 THR 16 -0.570 -14.717 7.343
117 HG21 THR 16 HG21 THR 16 -3.423 -14.755 5.341
118 HG22 THR 16 HG22 THR 16 -2.701 -15.819 6.572
119 HG23 THR 16 HG23 THR 16 -4.094 -14.793 6.990
120 H CYS 17 H CYS 17 -4.661 -12.273 4.777
121 HA CYS 17 HA CYS 17 -5.342 -9.887 6.265
122 HB2 CYS 17 HB2 CYS 17 -7.084 -11.222 4.208
123 HB3 CYS 17 HB3 CYS 17 -7.068 -9.544 4.714
124 H SER 18 H SER 18 -6.541 -10.012 8.133
125 HA SER 18 HA SER 18 -7.850 -12.555 8.641
126 HB2 SER 18 HB2 SER 18 -6.108 -11.560 10.257
127 HB3 SER 18 HB3 SER 18 -7.298 -10.334 10.647
128 HG SER 18 HG SER 18 -7.250 -12.279 12.078
129 H GLY 19 H GLY 19 -10.039 -12.621 8.306
130 HA2 GLY 19 HA2 GLY 19 -12.215 -11.998 8.487
131 HA3 GLY 19 HA3 GLY 19 -11.732 -10.508 9.272
132 H GLU 20 H GLU 20 -9.725 -10.385 6.725
133 HA GLU 20 HA GLU 20 -11.706 -8.969 5.137
134 HB2 GLU 20 HB2 GLU 20 -8.695 -8.699 4.855
135 HB3 GLU 20 HB3 GLU 20 -9.935 -7.568 4.351
136 HG2 GLU 20 HG2 GLU 20 -10.418 -6.906 6.603
137 HG3 GLU 20 HG3 GLU 20 -9.616 -8.309 7.282
138 H THR 21 H THR 21 -11.409 -9.042 2.703
139 HA THR 21 HA THR 21 -10.070 -11.474 1.783
140 HB THR 21 HB THR 21 -12.264 -11.906 0.439
141 HG1 THR 21 HG1 THR 21 -13.611 -10.672 2.603
142 HG21 THR 21 HG21 THR 21 -12.242 -12.134 3.493
143 HG22 THR 21 HG22 THR 21 -13.469 -12.895 2.452
144 HG23 THR 21 HG23 THR 21 -11.765 -13.395 2.331
145 H ASN 22 H ASN 22 -9.880 -8.353 1.682
146 HA ASN 22 HA ASN 22 -9.516 -8.352 -1.202
147 HB2 ASN 22 HB2 ASN 22 -10.648 -6.060 0.488
148 HB3 ASN 22 HB3 ASN 22 -10.228 -5.921 -1.207
149 HD21 ASN 22 HD21 ASN 22 -12.336 -7.459 1.134
150 HD22 ASN 22 HD22 ASN 22 -13.617 -7.901 0.056
151 H CYS 23 H CYS 23 -7.778 -6.777 -1.884
152 HA CYS 23 HA CYS 23 -5.994 -6.158 0.359
153 HB2 CYS 23 HB2 CYS 23 -5.182 -6.787 -2.485
154 HB3 CYS 23 HB3 CYS 23 -4.114 -6.478 -1.130
155 H TYR 24 H TYR 24 -5.220 -4.022 0.468
156 HA TYR 24 HA TYR 24 -6.212 -2.233 -1.648
157 HB2 TYR 24 HB2 TYR 24 -6.594 -0.666 0.160
158 HB3 TYR 24 HB3 TYR 24 -7.089 -2.201 0.845
159 HD1 TYR 24 HD1 TYR 24 -4.492 0.412 0.866
160 HD2 TYR 24 HD2 TYR 24 -5.798 -3.269 2.612
161 HE1 TYR 24 HE1 TYR 24 -2.851 0.730 2.781
162 HE2 TYR 24 HE2 TYR 24 -4.152 -2.939 4.521
163 HH TYR 24 HH TYR 24 -2.964 -0.328 5.443
164 H LYS 25 H LYS 25 -4.860 -0.417 -2.243
165 HA LYS 25 HA LYS 25 -2.099 -0.607 -1.309
166 HB2 LYS 25 HB2 LYS 25 -1.964 -1.899 -3.276
167 HB3 LYS 25 HB3 LYS 25 -3.045 -0.844 -4.163
168 HG2 LYS 25 HG2 LYS 25 -1.404 0.866 -4.391
169 HG3 LYS 25 HG3 LYS 25 -0.436 0.249 -3.067
170 HD2 LYS 25 HD2 LYS 25 0.621 -0.264 -5.252
171 HD3 LYS 25 HD3 LYS 25 0.198 -1.735 -4.400
172 HE2 LYS 25 HE2 LYS 25 -1.686 -2.161 -5.810
173 HE3 LYS 25 HE3 LYS 25 -1.741 -0.509 -6.392
174 HZ1 LYS 25 HZ1 LYS 25 -0.166 -2.681 -7.317
175 HZ2 LYS 25 HZ2 LYS 25 -0.567 -1.292 -8.077
176 HZ3 LYS 25 HZ3 LYS 25 0.726 -1.333 -7.080
177 H LYS 26 H LYS 26 -1.566 1.339 -0.492
178 HA LYS 26 HA LYS 26 -2.908 3.669 -1.670
179 HB2 LYS 26 HB2 LYS 26 -3.259 2.985 0.814
180 HB3 LYS 26 HB3 LYS 26 -1.643 3.614 1.065
181 HG2 LYS 26 HG2 LYS 26 -2.490 5.745 -0.202
182 HG3 LYS 26 HG3 LYS 26 -4.098 5.107 0.070
183 HD2 LYS 26 HD2 LYS 26 -2.128 6.204 2.047
184 HD3 LYS 26 HD3 LYS 26 -3.871 6.385 1.997
185 HE2 LYS 26 HE2 LYS 26 -2.320 3.914 2.897
186 HE3 LYS 26 HE3 LYS 26 -3.280 4.974 3.909
187 HZ1 LYS 26 HZ1 LYS 26 -4.186 2.762 2.727
188 HZ2 LYS 26 HZ2 LYS 26 -5.137 3.976 3.263
189 HZ3 LYS 26 HZ3 LYS 26 -4.715 3.905 1.688
190 H TRP 27 H TRP 27 -1.682 5.431 -2.369
191 HA TRP 27 HA TRP 27 1.132 5.514 -1.858
192 HB2 TRP 27 HB2 TRP 27 1.948 5.171 -4.050
193 HB3 TRP 27 HB3 TRP 27 0.993 3.767 -3.616
194 HD1 TRP 27 HD1 TRP 27 1.078 6.629 -6.139
195 HE1 TRP 27 HE1 TRP 27 -0.753 6.336 -8.016
196 HE3 TRP 27 HE3 TRP 27 -1.361 2.774 -3.893
197 HZ2 TRP 27 HZ2 TRP 27 -2.967 4.565 -8.343
198 HZ3 TRP 27 HZ3 TRP 27 -3.348 1.821 -5.057
199 HH2 TRP 27 HH2 TRP 27 -4.158 2.654 -7.207
200 H TRP 28 H TRP 28 1.918 7.632 -2.280
201 HA TRP 28 HA TRP 28 0.339 9.449 -3.836
202 HB2 TRP 28 HB2 TRP 28 -0.199 10.998 -2.076
203 HB3 TRP 28 HB3 TRP 28 -0.959 9.448 -1.774
204 HD1 TRP 28 HD1 TRP 28 1.534 11.870 -0.227
205 HE1 TRP 28 HE1 TRP 28 2.307 11.093 2.173
206 HE3 TRP 28 HE3 TRP 28 -0.543 7.235 -0.483
207 HZ2 TRP 28 HZ2 TRP 28 1.972 8.682 3.662
208 HZ3 TRP 28 HZ3 TRP 28 -0.274 5.732 1.488
209 HH2 TRP 28 HH2 TRP 28 0.932 6.389 3.509
210 H SER 29 H SER 29 1.464 11.740 -3.617
211 HA SER 29 HA SER 29 4.314 11.171 -3.496
212 HB2 SER 29 HB2 SER 29 3.353 11.987 -5.672
213 HB3 SER 29 HB3 SER 29 2.852 13.466 -4.877
214 HG SER 29 HG SER 29 4.978 13.498 -6.061
215 H ASP 30 H ASP 30 5.753 12.859 -2.553
216 HA ASP 30 HA ASP 30 4.395 14.797 -0.911
217 HB2 ASP 30 HB2 ASP 30 4.872 12.516 0.340
218 HB3 ASP 30 HB3 ASP 30 6.541 13.049 0.336
219 H HIS 31 H HIS 31 6.181 16.277 0.170
220 HA HIS 31 HA HIS 31 7.971 17.057 -1.853
221 HB2 HIS 31 HB2 HIS 31 8.169 17.953 1.014
222 HB3 HIS 31 HB3 HIS 31 8.521 18.852 -0.449
223 HD1 HIS 31 HD1 HIS 31 6.406 19.682 -1.880
224 HD2 HIS 31 HD2 HIS 31 5.544 18.126 1.919
225 HE1 HIS 31 HE1 HIS 31 4.027 20.421 -1.327
226 HE2 HIS 31 HE2 HIS 31 3.534 19.390 0.994
227 H ARG 32 H ARG 32 8.082 14.521 0.415
228 HA ARG 32 HA ARG 32 10.975 14.650 0.539
229 HB2 ARG 32 HB2 ARG 32 9.670 14.290 2.672
230 HB3 ARG 32 HB3 ARG 32 9.032 12.798 2.011
231 HG2 ARG 32 HG2 ARG 32 10.857 12.006 3.253
232 HG3 ARG 32 HG3 ARG 32 11.563 12.146 1.655
233 HD2 ARG 32 HD2 ARG 32 11.692 14.493 3.579
234 HD3 ARG 32 HD3 ARG 32 12.840 13.178 3.724
235 HE ARG 32 HE ARG 32 12.953 13.789 1.031
236 HH11 ARG 32 HH22 ARG 32 13.268 15.706 3.964
237 HH12 ARG 32 HH21 ARG 32 14.337 16.864 3.246
238 HH21 ARG 32 HH12 ARG 32 14.363 15.316 0.082
239 HH22 ARG 32 HH11 ARG 32 14.964 16.641 1.022
240 H GLY 33 H GLY 33 8.216 12.904 -0.826
241 HA2 GLY 33 HA2 GLY 33 9.389 11.720 -2.917
242 HA3 GLY 33 HA3 GLY 33 9.795 10.603 -1.630
243 H THR 34 H THR 34 8.366 9.267 -3.280
244 HA THR 34 HA THR 34 5.521 9.710 -2.867
245 HB THR 34 HB THR 34 7.246 7.896 -4.612
246 HG1 THR 34 HG1 THR 34 6.354 10.352 -4.793
247 HG21 THR 34 HG21 THR 34 4.328 7.687 -3.895
248 HG22 THR 34 HG22 THR 34 4.743 7.576 -5.623
249 HG23 THR 34 HG23 THR 34 5.443 6.421 -4.463
250 H ILE 35 H ILE 35 4.528 8.977 -1.105
251 HA ILE 35 HA ILE 35 5.749 6.768 0.327
252 HB ILE 35 HB ILE 35 3.438 8.593 1.001
253 HG12 ILE 35 HG12 ILE 35 6.361 8.604 1.777
254 HG13 ILE 35 HG13 ILE 35 5.453 9.865 0.968
255 HG21 ILE 35 HG21 ILE 35 3.139 6.451 2.091
256 HG22 ILE 35 HG22 ILE 35 4.820 6.478 2.675
257 HG23 ILE 35 HG23 ILE 35 3.648 7.672 3.282
258 HD11 ILE 35 HD11 ILE 35 5.688 10.508 3.295
259 HD12 ILE 35 HD12 ILE 35 3.988 10.048 3.040
260 HD13 ILE 35 HD13 ILE 35 5.103 8.920 3.846
261 H ILE 36 H ILE 36 4.930 4.708 0.438
262 HA ILE 36 HA ILE 36 2.351 4.280 -0.892
263 HB ILE 36 HB ILE 36 4.714 2.435 -1.177
264 HG12 ILE 36 HG12 ILE 36 3.840 4.647 -3.058
265 HG13 ILE 36 HG13 ILE 36 5.336 4.590 -2.148
266 HG21 ILE 36 HG21 ILE 36 2.631 2.483 -3.239
267 HG22 ILE 36 HG22 ILE 36 3.373 1.112 -2.379
268 HG23 ILE 36 HG23 ILE 36 2.035 2.015 -1.629
269 HD11 ILE 36 HD11 ILE 36 5.683 3.844 -4.489
270 HD12 ILE 36 HD12 ILE 36 6.013 2.520 -3.345
271 HD13 ILE 36 HD13 ILE 36 4.483 2.550 -4.256
272 H GLU 37 H GLU 37 0.911 3.338 0.445
273 HA GLU 37 HA GLU 37 2.021 1.615 2.515
274 HB2 GLU 37 HB2 GLU 37 1.464 3.545 3.760
275 HB3 GLU 37 HB3 GLU 37 0.042 3.886 2.793
276 HG2 GLU 37 HG2 GLU 37 -1.246 2.191 3.839
277 HG3 GLU 37 HG3 GLU 37 0.168 1.312 4.385
278 H ARG 38 H ARG 38 1.297 -0.434 2.153
279 HA ARG 38 HA ARG 38 -1.449 -0.657 1.217
280 HB2 ARG 38 HB2 ARG 38 0.717 -2.666 0.481
281 HB3 ARG 38 HB3 ARG 38 -0.850 -2.448 -0.274
282 HG2 ARG 38 HG2 ARG 38 -0.150 -0.232 -1.151
283 HG3 ARG 38 HG3 ARG 38 1.396 -0.376 -0.338
284 HD2 ARG 38 HD2 ARG 38 1.942 -2.395 -1.701
285 HD3 ARG 38 HD3 ARG 38 0.382 -2.295 -2.493
286 HE ARG 38 HE ARG 38 1.503 0.227 -2.890
287 HH11 ARG 38 HH22 ARG 38 2.489 -3.076 -3.598
288 HH12 ARG 38 HH21 ARG 38 3.418 -2.635 -4.992
289 HH21 ARG 38 HH12 ARG 38 2.729 0.809 -4.729
290 HH22 ARG 38 HH11 ARG 38 3.556 -0.411 -5.639
291 H GLY 39 H GLY 39 -2.451 -2.856 1.782
292 HA2 GLY 39 HA2 GLY 39 -1.209 -4.569 3.663
293 HA3 GLY 39 HA3 GLY 39 -2.224 -3.408 4.496
294 H CYS 40 H CYS 40 -3.367 -5.555 5.056
295 HA CYS 40 HA CYS 40 -4.909 -6.671 2.904
296 HB2 CYS 40 HB2 CYS 40 -4.578 -7.283 5.824
297 HB3 CYS 40 HB3 CYS 40 -5.937 -7.946 4.939
298 H GLY 41 H GLY 41 -7.284 -6.608 2.858
299 HA2 GLY 41 HA2 GLY 41 -9.351 -5.820 3.585
300 HA3 GLY 41 HA3 GLY 41 -8.562 -4.636 4.608
301 H CYS 42 H CYS 42 -10.251 -3.195 3.515
302 HA CYS 42 HA CYS 42 -8.958 -1.942 1.245
303 HB2 CYS 42 HB2 CYS 42 -10.485 -3.402 0.126
304 HB3 CYS 42 HB3 CYS 42 -11.801 -2.959 1.195
305 HA PRO 43 HA PRO 43 -10.436 0.822 4.670
306 HB2 PRO 43 HB2 PRO 43 -8.113 2.263 4.728
307 HB3 PRO 43 HB3 PRO 43 -8.293 0.690 5.591
308 HG2 PRO 43 HG2 PRO 43 -7.085 1.263 2.905
309 HG3 PRO 43 HG3 PRO 43 -6.438 0.267 4.262
310 HD2 PRO 43 HD2 PRO 43 -7.690 -0.826 2.150
311 HD3 PRO 43 HD3 PRO 43 -7.873 -1.478 3.821
312 H LYS 44 H LYS 44 -10.183 3.411 4.662
313 HA LYS 44 HA LYS 44 -10.634 4.238 1.878
314 HB2 LYS 44 HB2 LYS 44 -11.984 5.145 4.433
315 HB3 LYS 44 HB3 LYS 44 -12.133 5.994 2.908
316 HG2 LYS 44 HG2 LYS 44 -12.729 3.017 3.106
317 HG3 LYS 44 HG3 LYS 44 -13.947 4.209 3.515
318 HD2 LYS 44 HD2 LYS 44 -12.457 4.253 0.854
319 HD3 LYS 44 HD3 LYS 44 -13.942 3.349 1.079
320 HE2 LYS 44 HE2 LYS 44 -15.148 5.419 1.715
321 HE3 LYS 44 HE3 LYS 44 -13.664 6.346 1.613
322 HZ1 LYS 44 HZ1 LYS 44 -14.050 4.920 -0.762
323 HZ2 LYS 44 HZ2 LYS 44 -15.403 5.771 -0.426
324 HZ3 LYS 44 HZ3 LYS 44 -13.965 6.536 -0.544
325 H VAL 45 H VAL 45 -9.587 6.079 1.124
326 HA VAL 45 HA VAL 45 -7.667 7.235 3.026
327 HB VAL 45 HB VAL 45 -6.188 7.580 1.152
328 HG11 VAL 45 HG11 VAL 45 -6.012 5.052 0.409
329 HG12 VAL 45 HG12 VAL 45 -5.669 5.537 2.087
330 HG13 VAL 45 HG13 VAL 45 -7.244 4.820 1.672
331 HG21 VAL 45 HG21 VAL 45 -8.495 6.510 -0.479
332 HG22 VAL 45 HG22 VAL 45 -7.565 8.011 -0.700
333 HG23 VAL 45 HG23 VAL 45 -6.818 6.439 -1.073
334 H LYS 46 H LYS 46 -7.042 9.554 2.450
335 HA LYS 46 HA LYS 46 -9.507 10.995 1.983
336 HB2 LYS 46 HB2 LYS 46 -6.838 12.235 2.632
337 HB3 LYS 46 HB3 LYS 46 -8.447 12.833 2.985
338 HG2 LYS 46 HG2 LYS 46 -8.798 10.898 4.558
339 HG3 LYS 46 HG3 LYS 46 -7.164 10.355 4.232
340 HD2 LYS 46 HD2 LYS 46 -8.005 12.967 5.561
341 HD3 LYS 46 HD3 LYS 46 -7.122 11.643 6.295
342 HE2 LYS 46 HE2 LYS 46 -5.310 12.077 4.462
343 HE3 LYS 46 HE3 LYS 46 -6.139 13.593 4.175
344 HZ1 LYS 46 HZ1 LYS 46 -5.654 14.323 6.289
345 HZ2 LYS 46 HZ2 LYS 46 -5.359 12.831 6.884
346 HZ3 LYS 46 HZ3 LYS 46 -4.283 13.535 5.878
347 HA PRO 47 HA PRO 47 -8.951 12.559 -2.023
348 HB2 PRO 47 HB2 PRO 47 -8.519 15.288 -0.865
349 HB3 PRO 47 HB3 PRO 47 -9.720 14.732 -2.089
350 HG2 PRO 47 HG2 PRO 47 -10.465 15.218 0.402
351 HG3 PRO 47 HG3 PRO 47 -11.074 13.761 -0.469
352 HD2 PRO 47 HD2 PRO 47 -8.882 13.997 1.571
353 HD3 PRO 47 HD3 PRO 47 -10.199 12.773 1.437
354 H GLY 48 H GLY 48 -7.163 12.642 -3.446
355 HA2 GLY 48 HA2 GLY 48 -5.139 13.621 -4.159
356 HA3 GLY 48 HA3 GLY 48 -4.706 13.954 -2.494
357 H VAL 49 H VAL 49 -5.509 11.311 -1.426
358 HA VAL 49 HA VAL 49 -3.102 9.914 -2.142
359 HB VAL 49 HB VAL 49 -5.254 8.922 -0.295
360 HG11 VAL 49 HG11 VAL 49 -3.342 7.996 0.939
361 HG12 VAL 49 HG12 VAL 49 -3.345 7.447 -0.755
362 HG13 VAL 49 HG13 VAL 49 -2.223 8.728 -0.236
363 HG21 VAL 49 HG21 VAL 49 -3.736 11.417 -0.047
364 HG22 VAL 49 HG22 VAL 49 -5.149 10.837 0.868
365 HG23 VAL 49 HG23 VAL 49 -3.511 10.321 1.337
366 H ASN 50 H ASN 50 -2.963 7.843 -3.112
367 HA ASN 50 HA ASN 50 -5.284 7.266 -4.737
368 HB2 ASN 50 HB2 ASN 50 -2.335 6.516 -4.874
369 HB3 ASN 50 HB3 ASN 50 -3.511 5.617 -5.813
370 HD21 ASN 50 HD21 ASN 50 -1.710 8.506 -5.474
371 HD22 ASN 50 HD22 ASN 50 -2.252 9.342 -6.890
372 H LEU 51 H LEU 51 -6.339 5.200 -4.622
373 HA LEU 51 HA LEU 51 -5.191 3.231 -2.805
374 HB2 LEU 51 HB2 LEU 51 -6.598 4.479 -1.354
375 HB3 LEU 51 HB3 LEU 51 -7.907 4.506 -2.520
376 HG LEU 51 HG LEU 51 -8.304 2.133 -2.226
377 HD11 LEU 51 HD11 LEU 51 -6.819 1.312 -0.036
378 HD12 LEU 51 HD12 LEU 51 -6.567 0.830 -1.731
379 HD13 LEU 51 HD13 LEU 51 -5.639 2.184 -1.043
380 HD21 LEU 51 HD21 LEU 51 -8.311 2.503 0.580
381 HD22 LEU 51 HD22 LEU 51 -8.579 4.101 -0.158
382 HD23 LEU 51 HD23 LEU 51 -9.648 2.739 -0.571
383 H ASN 52 H ASN 52 -5.617 1.102 -3.407
384 HA ASN 52 HA ASN 52 -7.455 0.786 -5.630
385 HB2 ASN 52 HB2 ASN 52 -4.937 0.944 -6.340
386 HB3 ASN 52 HB3 ASN 52 -4.743 -0.615 -5.564
387 HD21 ASN 52 HD21 ASN 52 -5.675 -2.442 -6.415
388 HD22 ASN 52 HD22 ASN 52 -6.339 -2.528 -8.013
389 H CYS 53 H CYS 53 -8.900 -0.819 -4.991
390 HA CYS 53 HA CYS 53 -7.899 -2.796 -3.077
391 HB2 CYS 53 HB2 CYS 53 -10.741 -1.877 -3.565
392 HB3 CYS 53 HB3 CYS 53 -10.251 -3.114 -2.423
393 H CYS 54 H CYS 54 -8.349 -5.041 -3.512
394 HA CYS 54 HA CYS 54 -9.778 -5.681 -5.926
395 HB2 CYS 54 HB2 CYS 54 -7.748 -7.153 -6.631
396 HB3 CYS 54 HB3 CYS 54 -7.847 -5.472 -7.117
397 H ARG 55 H ARG 55 -9.955 -8.169 -6.090
398 HA ARG 55 HA ARG 55 -9.858 -9.228 -3.381
399 HB2 ARG 55 HB2 ARG 55 -11.701 -9.934 -5.719
400 HB3 ARG 55 HB3 ARG 55 -11.697 -10.794 -4.192
401 HG2 ARG 55 HG2 ARG 55 -12.666 -9.025 -3.020
402 HG3 ARG 55 HG3 ARG 55 -11.960 -7.802 -4.058
403 HD2 ARG 55 HD2 ARG 55 -13.601 -8.110 -5.760
404 HD3 ARG 55 HD3 ARG 55 -14.054 -9.697 -5.172
405 HE ARG 55 HE ARG 55 -14.576 -7.789 -3.103
406 HH11 ARG 55 HH22 ARG 55 -15.775 -8.720 -6.278
407 HH12 ARG 55 HH21 ARG 55 -17.388 -8.168 -5.971
408 HH21 ARG 55 HH12 ARG 55 -16.704 -7.061 -2.698
409 HH22 ARG 55 HH11 ARG 55 -17.920 -7.219 -3.922
410 H THR 56 H THR 56 -7.476 -9.351 -4.793
411 HA THR 56 HA THR 56 -7.328 -12.208 -5.447
412 HB THR 56 HB THR 56 -5.575 -11.299 -7.237
413 HG1 THR 56 HG1 THR 56 -7.214 -9.179 -7.757
414 HG21 THR 56 HG21 THR 56 -7.666 -12.437 -7.948
415 HG22 THR 56 HG22 THR 56 -8.600 -10.963 -7.598
416 HG23 THR 56 HG23 THR 56 -7.415 -10.971 -8.927
417 H ASP 57 H ASP 57 -5.437 -13.261 -4.825
418 HA ASP 57 HA ASP 57 -4.240 -12.232 -2.573
419 HB2 ASP 57 HB2 ASP 57 -3.225 -14.365 -4.510
420 HB3 ASP 57 HB3 ASP 57 -2.582 -14.110 -2.900
421 H ARG 58 H ARG 58 -2.192 -11.176 -2.245
422 HA ARG 58 HA ARG 58 -0.704 -9.668 -2.776
423 HB2 ARG 58 HB2 ARG 58 0.253 -11.577 -4.948
424 HB3 ARG 58 HB3 ARG 58 1.227 -10.567 -3.897
425 HG2 ARG 58 HG2 ARG 58 0.161 -11.985 -1.942
426 HG3 ARG 58 HG3 ARG 58 -0.253 -13.125 -3.207
427 HD2 ARG 58 HD2 ARG 58 2.037 -13.530 -3.766
428 HD3 ARG 58 HD3 ARG 58 2.587 -12.068 -2.970
429 HE ARG 58 HE ARG 58 1.286 -13.888 -1.105
430 HH11 ARG 58 HH22 ARG 58 4.315 -13.223 -2.768
431 HH12 ARG 58 HH21 ARG 58 5.290 -14.026 -1.582
432 HH21 ARG 58 HH12 ARG 58 2.571 -14.948 0.459
433 HH22 ARG 58 HH11 ARG 58 4.291 -15.014 0.265
434 H CYS 59 H CYS 59 -3.154 -9.150 -4.161
435 HA CYS 59 HA CYS 59 -2.461 -8.585 -6.899
436 HB2 CYS 59 HB2 CYS 59 -4.731 -7.917 -7.178
437 HB3 CYS 59 HB3 CYS 59 -4.696 -9.427 -6.289
438 H ASN 60 H ASN 60 -2.502 -7.074 -3.719
439 HA ASN 60 HA ASN 60 -2.409 -4.436 -4.876
440 HB2 ASN 60 HB2 ASN 60 -2.457 -3.655 -2.523
441 HB3 ASN 60 HB3 ASN 60 -3.726 -4.835 -2.780
442 HD21 ASN 60 HD21 ASN 60 -2.121 -3.949 -0.402
443 HD22 ASN 60 HD22 ASN 60 -1.514 -5.398 0.328
444 H ASN 61 H ASN 61 -0.239 -6.068 -5.681
445 HA ASN 61 HA ASN 61 1.919 -5.470 -3.862
446 HB2 ASN 61 HB2 ASN 61 3.137 -7.132 -4.996
447 HB3 ASN 61 HB3 ASN 61 1.504 -7.712 -5.252
448 HD21 ASN 61 HD21 ASN 61 0.598 -7.702 -7.242
449 HD22 ASN 61 HD22 ASN 61 1.427 -7.281 -8.703
Start of MODEL 14
1 H1 LEU 1 H1 LEU 1 -6.200 -16.157 1.706
2 H2 LEU 1 H2 LEU 1 -7.147 -15.030 2.464
3 H3 LEU 1 H3 LEU 1 -5.561 -15.211 2.905
4 HA LEU 1 HA LEU 1 -5.498 -14.780 0.249
5 HB2 LEU 1 HB2 LEU 1 -7.735 -14.021 0.203
6 HB3 LEU 1 HB3 LEU 1 -7.526 -13.048 1.646
7 HG LEU 1 HG LEU 1 -5.775 -11.739 0.202
8 HD11 LEU 1 HD11 LEU 1 -6.459 -11.668 -2.210
9 HD12 LEU 1 HD12 LEU 1 -5.645 -13.169 -1.704
10 HD13 LEU 1 HD13 LEU 1 -7.411 -13.144 -1.921
11 HD21 LEU 1 HD21 LEU 1 -7.629 -10.566 0.990
12 HD22 LEU 1 HD22 LEU 1 -7.727 -10.374 -0.776
13 HD23 LEU 1 HD23 LEU 1 -8.777 -11.549 0.051
14 H GLU 2 H GLU 2 -3.684 -13.542 -0.142
15 HA GLU 2 HA GLU 2 -2.567 -12.303 2.249
16 HB2 GLU 2 HB2 GLU 2 -0.946 -13.124 -0.179
17 HB3 GLU 2 HB3 GLU 2 -0.387 -12.850 1.459
18 HG2 GLU 2 HG2 GLU 2 -2.241 -15.125 0.606
19 HG3 GLU 2 HG3 GLU 2 -0.518 -15.288 0.879
20 H CYS 3 H CYS 3 -1.598 -10.198 2.082
21 HA CYS 3 HA CYS 3 -1.995 -8.865 -0.481
22 HB2 CYS 3 HB2 CYS 3 -2.826 -7.581 2.120
23 HB3 CYS 3 HB3 CYS 3 -3.056 -6.970 0.494
24 H HIS 4 H HIS 4 -0.313 -7.396 -0.942
25 HA HIS 4 HA HIS 4 2.052 -7.691 0.498
26 HB2 HIS 4 HB2 HIS 4 1.101 -5.925 -1.729
27 HB3 HIS 4 HB3 HIS 4 2.620 -5.541 -0.944
28 HD1 HIS 4 HD1 HIS 4 4.621 -7.186 -1.289
29 HD2 HIS 4 HD2 HIS 4 1.107 -8.286 -3.299
30 HE1 HIS 4 HE1 HIS 4 5.285 -9.012 -2.942
31 HE2 HIS 4 HE2 HIS 4 3.076 -9.686 -4.109
32 H ASN 5 H ASN 5 3.052 -6.475 2.098
33 HA ASN 5 HA ASN 5 1.405 -4.301 3.130
34 HB2 ASN 5 HB2 ASN 5 2.067 -4.905 5.359
35 HB3 ASN 5 HB3 ASN 5 1.718 -6.434 4.578
36 HD21 ASN 5 HD21 ASN 5 3.120 -7.955 4.953
37 HD22 ASN 5 HD22 ASN 5 4.821 -7.783 5.226
38 H GLN 6 H GLN 6 3.909 -4.711 1.171
39 HA GLN 6 HA GLN 6 6.027 -3.444 2.529
40 HB2 GLN 6 HB2 GLN 6 6.886 -3.180 0.077
41 HB3 GLN 6 HB3 GLN 6 6.718 -4.796 0.735
42 HG2 GLN 6 HG2 GLN 6 4.881 -5.310 -0.596
43 HG3 GLN 6 HG3 GLN 6 4.292 -3.660 -0.618
44 HE21 GLN 6 HE21 GLN 6 5.260 -5.925 -2.581
45 HE22 GLN 6 HE22 GLN 6 6.130 -5.055 -3.801
46 H GLN 7 H GLN 7 6.765 -1.267 2.392
47 HA GLN 7 HA GLN 7 4.695 0.542 1.432
48 HB2 GLN 7 HB2 GLN 7 6.107 2.189 2.960
49 HB3 GLN 7 HB3 GLN 7 4.945 1.089 3.675
50 HG2 GLN 7 HG2 GLN 7 6.615 -0.387 4.465
51 HG3 GLN 7 HG3 GLN 7 7.796 0.153 3.288
52 HE21 GLN 7 HE21 GLN 7 7.996 -0.083 6.179
53 HE22 GLN 7 HE22 GLN 7 8.424 1.476 6.803
54 H SER 8 H SER 8 5.497 2.672 0.497
55 HA SER 8 HA SER 8 6.456 3.478 -1.328
56 HB2 SER 8 HB2 SER 8 9.032 3.097 0.243
57 HB3 SER 8 HB3 SER 8 8.626 4.410 -0.844
58 HG SER 8 HG SER 8 8.411 4.654 1.657
59 H SER 9 H SER 9 9.609 2.790 -1.564
60 HA SER 9 HA SER 9 9.105 0.705 -3.483
61 HB2 SER 9 HB2 SER 9 11.326 2.666 -2.950
62 HB3 SER 9 HB3 SER 9 11.731 1.193 -3.808
63 HG SER 9 HG SER 9 11.138 2.871 -5.292
64 H GLN 10 H GLN 10 9.667 0.793 -0.223
65 HA GLN 10 HA GLN 10 11.820 -0.673 0.362
66 HB2 GLN 10 HB2 GLN 10 9.085 -1.191 1.599
67 HB3 GLN 10 HB3 GLN 10 10.646 -1.405 2.366
68 HG2 GLN 10 HG2 GLN 10 9.277 1.197 1.597
69 HG3 GLN 10 HG3 GLN 10 9.827 0.692 3.182
70 HE21 GLN 10 HE21 GLN 10 10.416 3.089 1.607
71 HE22 GLN 10 HE22 GLN 10 12.138 3.187 1.447
72 HA PRO 11 HA PRO 11 11.713 -4.820 -0.985
73 HB2 PRO 11 HB2 PRO 11 11.387 -5.696 1.862
74 HB3 PRO 11 HB3 PRO 11 12.641 -6.156 0.649
75 HG2 PRO 11 HG2 PRO 11 13.214 -4.466 2.602
76 HG3 PRO 11 HG3 PRO 11 13.784 -4.151 0.921
77 HD2 PRO 11 HD2 PRO 11 11.457 -2.970 2.408
78 HD3 PRO 11 HD3 PRO 11 12.688 -2.159 1.370
79 HA PRO 12 HA PRO 12 7.350 -5.686 -1.355
80 HB2 PRO 12 HB2 PRO 12 8.499 -8.220 -2.464
81 HB3 PRO 12 HB3 PRO 12 7.289 -7.092 -3.181
82 HG2 PRO 12 HG2 PRO 12 9.787 -7.114 -4.051
83 HG3 PRO 12 HG3 PRO 12 8.925 -5.554 -3.777
84 HD2 PRO 12 HD2 PRO 12 10.941 -6.957 -2.049
85 HD3 PRO 12 HD3 PRO 12 10.823 -5.212 -2.491
86 H THR 13 H THR 13 6.060 -6.500 0.325
87 HA THR 13 HA THR 13 6.864 -9.059 1.518
88 HB THR 13 HB THR 13 6.046 -7.876 3.735
89 HG1 THR 13 HG1 THR 13 5.803 -5.683 3.442
90 HG21 THR 13 HG21 THR 13 8.304 -6.762 4.060
91 HG22 THR 13 HG22 THR 13 8.434 -8.437 3.471
92 HG23 THR 13 HG23 THR 13 8.657 -7.078 2.344
93 H THR 14 H THR 14 4.956 -9.831 3.034
94 HA THR 14 HA THR 14 2.379 -9.077 1.913
95 HB THR 14 HB THR 14 2.014 -11.671 1.591
96 HG1 THR 14 HG1 THR 14 4.713 -11.791 0.844
97 HG21 THR 14 HG21 THR 14 3.848 -10.034 -0.233
98 HG22 THR 14 HG22 THR 14 3.182 -11.623 -0.679
99 HG23 THR 14 HG23 THR 14 2.089 -10.246 -0.403
100 H LYS 15 H LYS 15 0.553 -9.957 3.155
101 HA LYS 15 HA LYS 15 1.249 -11.078 5.727
102 HB2 LYS 15 HB2 LYS 15 1.383 -8.447 5.738
103 HB3 LYS 15 HB3 LYS 15 -0.366 -8.547 5.783
104 HG2 LYS 15 HG2 LYS 15 1.197 -10.291 7.686
105 HG3 LYS 15 HG3 LYS 15 1.104 -8.576 8.033
106 HD2 LYS 15 HD2 LYS 15 -1.222 -8.618 8.359
107 HD3 LYS 15 HD3 LYS 15 -1.453 -10.013 7.325
108 HE2 LYS 15 HE2 LYS 15 -0.594 -11.529 9.003
109 HE3 LYS 15 HE3 LYS 15 0.053 -10.216 9.966
110 HZ1 LYS 15 HZ1 LYS 15 -2.784 -10.158 9.424
111 HZ2 LYS 15 HZ2 LYS 15 -2.258 -11.300 10.466
112 HZ3 LYS 15 HZ3 LYS 15 -1.973 -9.721 10.773
113 H THR 16 H THR 16 -0.564 -12.080 6.769
114 HA THR 16 HA THR 16 -2.583 -12.878 4.882
115 HB THR 16 HB THR 16 -2.453 -13.577 7.843
116 HG1 THR 16 HG1 THR 16 -0.419 -14.290 7.344
117 HG21 THR 16 HG21 THR 16 -2.740 -15.910 6.496
118 HG22 THR 16 HG22 THR 16 -4.146 -14.906 6.925
119 HG23 THR 16 HG23 THR 16 -3.458 -14.821 5.286
120 H CYS 17 H CYS 17 -4.606 -12.135 4.635
121 HA CYS 17 HA CYS 17 -5.330 -9.835 6.174
122 HB2 CYS 17 HB2 CYS 17 -7.102 -11.218 4.176
123 HB3 CYS 17 HB3 CYS 17 -7.085 -9.530 4.648
124 H SER 18 H SER 18 -6.500 -9.921 8.064
125 HA SER 18 HA SER 18 -7.785 -12.458 8.654
126 HB2 SER 18 HB2 SER 18 -7.457 -10.279 10.710
127 HB3 SER 18 HB3 SER 18 -7.436 -12.018 10.928
128 HG SER 18 HG SER 18 -5.356 -11.805 9.495
129 H GLY 19 H GLY 19 -9.977 -12.549 8.345
130 HA2 GLY 19 HA2 GLY 19 -12.155 -11.943 8.521
131 HA3 GLY 19 HA3 GLY 19 -11.682 -10.441 9.289
132 H GLU 20 H GLU 20 -9.694 -10.336 6.720
133 HA GLU 20 HA GLU 20 -11.697 -8.944 5.137
134 HB2 GLU 20 HB2 GLU 20 -8.694 -8.657 4.814
135 HB3 GLU 20 HB3 GLU 20 -9.949 -7.533 4.332
136 HG2 GLU 20 HG2 GLU 20 -10.505 -7.107 6.725
137 HG3 GLU 20 HG3 GLU 20 -9.282 -8.258 7.225
138 H THR 21 H THR 21 -11.335 -9.001 2.684
139 HA THR 21 HA THR 21 -10.028 -11.455 1.789
140 HB THR 21 HB THR 21 -12.210 -11.905 0.448
141 HG1 THR 21 HG1 THR 21 -13.253 -10.312 2.660
142 HG21 THR 21 HG21 THR 21 -12.232 -12.055 3.507
143 HG22 THR 21 HG22 THR 21 -13.450 -12.835 2.469
144 HG23 THR 21 HG23 THR 21 -11.748 -13.348 2.384
145 H ASN 22 H ASN 22 -9.836 -8.330 1.669
146 HA ASN 22 HA ASN 22 -9.448 -8.354 -1.212
147 HB2 ASN 22 HB2 ASN 22 -10.610 -6.053 0.446
148 HB3 ASN 22 HB3 ASN 22 -10.169 -5.923 -1.245
149 HD21 ASN 22 HD21 ASN 22 -12.299 -7.458 1.079
150 HD22 ASN 22 HD22 ASN 22 -13.564 -7.913 -0.013
151 H CYS 23 H CYS 23 -7.730 -6.735 -1.888
152 HA CYS 23 HA CYS 23 -5.955 -6.123 0.363
153 HB2 CYS 23 HB2 CYS 23 -5.129 -6.705 -2.486
154 HB3 CYS 23 HB3 CYS 23 -4.070 -6.411 -1.122
155 H TYR 24 H TYR 24 -5.198 -3.980 0.495
156 HA TYR 24 HA TYR 24 -6.187 -2.181 -1.615
157 HB2 TYR 24 HB2 TYR 24 -6.651 -0.645 0.196
158 HB3 TYR 24 HB3 TYR 24 -7.121 -2.196 0.862
159 HD1 TYR 24 HD1 TYR 24 -4.632 0.507 0.979
160 HD2 TYR 24 HD2 TYR 24 -5.798 -3.268 2.620
161 HE1 TYR 24 HE1 TYR 24 -3.037 0.854 2.929
162 HE2 TYR 24 HE2 TYR 24 -4.199 -2.909 4.564
163 HH TYR 24 HH TYR 24 -3.215 -0.538 5.669
164 H LYS 25 H LYS 25 -4.847 -0.349 -2.171
165 HA LYS 25 HA LYS 25 -2.139 -0.409 -1.108
166 HB2 LYS 25 HB2 LYS 25 -1.850 -1.868 -2.949
167 HB3 LYS 25 HB3 LYS 25 -2.868 -0.901 -3.997
168 HG2 LYS 25 HG2 LYS 25 -1.026 0.993 -3.378
169 HG3 LYS 25 HG3 LYS 25 -0.024 -0.425 -3.143
170 HD2 LYS 25 HD2 LYS 25 -1.471 0.437 -5.678
171 HD3 LYS 25 HD3 LYS 25 0.252 0.214 -5.447
172 HE2 LYS 25 HE2 LYS 25 -0.218 -1.802 -6.490
173 HE3 LYS 25 HE3 LYS 25 -0.505 -2.296 -4.833
174 HZ1 LYS 25 HZ1 LYS 25 -2.287 -2.499 -6.793
175 HZ2 LYS 25 HZ2 LYS 25 -2.678 -2.455 -5.208
176 HZ3 LYS 25 HZ3 LYS 25 -2.767 -1.096 -6.109
177 H LYS 26 H LYS 26 -1.778 1.617 -0.400
178 HA LYS 26 HA LYS 26 -3.068 3.785 -1.903
179 HB2 LYS 26 HB2 LYS 26 -2.816 5.069 0.254
180 HB3 LYS 26 HB3 LYS 26 -3.969 3.750 0.282
181 HG2 LYS 26 HG2 LYS 26 -2.534 2.344 1.557
182 HG3 LYS 26 HG3 LYS 26 -1.099 3.255 1.130
183 HD2 LYS 26 HD2 LYS 26 -1.518 4.937 2.695
184 HD3 LYS 26 HD3 LYS 26 -3.257 4.734 2.616
185 HE2 LYS 26 HE2 LYS 26 -1.622 2.449 3.720
186 HE3 LYS 26 HE3 LYS 26 -1.829 3.868 4.727
187 HZ1 LYS 26 HZ1 LYS 26 -3.988 3.434 4.991
188 HZ2 LYS 26 HZ2 LYS 26 -4.222 2.913 3.461
189 HZ3 LYS 26 HZ3 LYS 26 -3.586 1.906 4.578
190 H TRP 27 H TRP 27 -1.831 5.553 -2.590
191 HA TRP 27 HA TRP 27 0.956 5.660 -1.850
192 HB2 TRP 27 HB2 TRP 27 1.848 5.439 -4.054
193 HB3 TRP 27 HB3 TRP 27 0.959 3.986 -3.644
194 HD1 TRP 27 HD1 TRP 27 0.927 6.874 -6.140
195 HE1 TRP 27 HE1 TRP 27 -0.859 6.502 -8.046
196 HE3 TRP 27 HE3 TRP 27 -1.328 2.868 -3.968
197 HZ2 TRP 27 HZ2 TRP 27 -2.968 4.616 -8.423
198 HZ3 TRP 27 HZ3 TRP 27 -3.243 1.820 -5.171
199 HH2 TRP 27 HH2 TRP 27 -4.068 2.631 -7.324
200 H TRP 28 H TRP 28 1.828 7.772 -2.299
201 HA TRP 28 HA TRP 28 0.256 9.649 -3.787
202 HB2 TRP 28 HB2 TRP 28 -0.218 11.174 -1.984
203 HB3 TRP 28 HB3 TRP 28 -1.012 9.635 -1.710
204 HD1 TRP 28 HD1 TRP 28 1.414 12.013 -0.067
205 HE1 TRP 28 HE1 TRP 28 2.251 11.138 2.278
206 HE3 TRP 28 HE3 TRP 28 -0.436 7.305 -0.576
207 HZ2 TRP 28 HZ2 TRP 28 2.049 8.631 3.626
208 HZ3 TRP 28 HZ3 TRP 28 -0.073 5.705 1.301
209 HH2 TRP 28 HH2 TRP 28 1.122 6.302 3.348
210 H SER 29 H SER 29 1.429 11.901 -3.586
211 HA SER 29 HA SER 29 4.269 11.285 -3.477
212 HB2 SER 29 HB2 SER 29 3.114 12.178 -5.624
213 HB3 SER 29 HB3 SER 29 3.002 13.716 -4.793
214 HG SER 29 HG SER 29 5.029 12.992 -6.214
215 H ASP 30 H ASP 30 5.669 12.512 -2.159
216 HA ASP 30 HA ASP 30 4.353 14.601 -0.611
217 HB2 ASP 30 HB2 ASP 30 4.713 12.475 0.706
218 HB3 ASP 30 HB3 ASP 30 6.433 12.600 0.392
219 H HIS 31 H HIS 31 6.131 16.089 0.457
220 HA HIS 31 HA HIS 31 7.852 16.966 -1.581
221 HB2 HIS 31 HB2 HIS 31 8.397 18.726 -0.140
222 HB3 HIS 31 HB3 HIS 31 6.734 18.333 0.245
223 HD1 HIS 31 HD1 HIS 31 6.334 16.946 2.520
224 HD2 HIS 31 HD2 HIS 31 10.189 18.508 1.970
225 HE1 HIS 31 HE1 HIS 31 7.468 16.874 4.805
226 HE2 HIS 31 HE2 HIS 31 9.851 17.795 4.393
227 H ARG 32 H ARG 32 8.075 14.349 0.579
228 HA ARG 32 HA ARG 32 10.966 14.530 0.635
229 HB2 ARG 32 HB2 ARG 32 9.768 14.058 2.789
230 HB3 ARG 32 HB3 ARG 32 9.072 12.611 2.086
231 HG2 ARG 32 HG2 ARG 32 11.556 11.907 1.601
232 HG3 ARG 32 HG3 ARG 32 11.986 13.159 2.750
233 HD2 ARG 32 HD2 ARG 32 10.032 10.890 3.364
234 HD3 ARG 32 HD3 ARG 32 11.735 10.846 3.775
235 HE ARG 32 HE ARG 32 10.393 13.254 4.757
236 HH11 ARG 32 HH22 ARG 32 11.121 9.884 5.459
237 HH12 ARG 32 HH21 ARG 32 10.940 10.069 7.172
238 HH21 ARG 32 HH12 ARG 32 10.155 13.499 7.016
239 HH22 ARG 32 HH11 ARG 32 10.387 12.139 8.064
240 H GLY 33 H GLY 33 8.207 12.783 -0.730
241 HA2 GLY 33 HA2 GLY 33 9.319 11.720 -2.906
242 HA3 GLY 33 HA3 GLY 33 9.828 10.567 -1.689
243 H THR 34 H THR 34 8.281 9.456 -3.555
244 HA THR 34 HA THR 34 5.484 9.717 -2.990
245 HB THR 34 HB THR 34 7.205 7.840 -4.684
246 HG1 THR 34 HG1 THR 34 6.651 10.291 -5.031
247 HG21 THR 34 HG21 THR 34 4.636 7.209 -3.788
248 HG22 THR 34 HG22 THR 34 4.311 8.102 -5.292
249 HG23 THR 34 HG23 THR 34 5.341 6.651 -5.324
250 H ILE 35 H ILE 35 4.462 8.944 -1.264
251 HA ILE 35 HA ILE 35 5.733 6.753 0.175
252 HB ILE 35 HB ILE 35 3.472 8.609 0.926
253 HG12 ILE 35 HG12 ILE 35 6.422 8.599 1.592
254 HG13 ILE 35 HG13 ILE 35 5.496 9.864 0.809
255 HG21 ILE 35 HG21 ILE 35 4.905 6.498 2.562
256 HG22 ILE 35 HG22 ILE 35 3.750 7.694 3.197
257 HG23 ILE 35 HG23 ILE 35 3.207 6.465 2.030
258 HD11 ILE 35 HD11 ILE 35 5.230 8.933 3.702
259 HD12 ILE 35 HD12 ILE 35 5.831 10.508 3.129
260 HD13 ILE 35 HD13 ILE 35 4.114 10.084 2.928
261 H ILE 36 H ILE 36 4.876 4.709 0.316
262 HA ILE 36 HA ILE 36 2.218 4.329 -0.849
263 HB ILE 36 HB ILE 36 4.515 2.484 -1.453
264 HG12 ILE 36 HG12 ILE 36 3.564 4.825 -3.130
265 HG13 ILE 36 HG13 ILE 36 5.109 4.707 -2.311
266 HG21 ILE 36 HG21 ILE 36 1.725 2.324 -1.817
267 HG22 ILE 36 HG22 ILE 36 2.424 2.622 -3.426
268 HG23 ILE 36 HG23 ILE 36 2.981 1.237 -2.457
269 HD11 ILE 36 HD11 ILE 36 4.113 2.816 -4.494
270 HD12 ILE 36 HD12 ILE 36 5.340 4.091 -4.694
271 HD13 ILE 36 HD13 ILE 36 5.679 2.685 -3.656
272 H GLU 37 H GLU 37 0.907 3.088 0.405
273 HA GLU 37 HA GLU 37 2.245 1.431 2.390
274 HB2 GLU 37 HB2 GLU 37 -0.076 3.350 2.834
275 HB3 GLU 37 HB3 GLU 37 0.319 2.073 3.967
276 HG2 GLU 37 HG2 GLU 37 2.263 4.251 3.063
277 HG3 GLU 37 HG3 GLU 37 1.365 4.283 4.568
278 H ARG 38 H ARG 38 1.685 -0.671 2.052
279 HA ARG 38 HA ARG 38 -0.952 -1.110 0.899
280 HB2 ARG 38 HB2 ARG 38 1.460 -2.987 0.789
281 HB3 ARG 38 HB3 ARG 38 -0.048 -3.183 -0.081
282 HG2 ARG 38 HG2 ARG 38 0.385 -1.120 -1.377
283 HG3 ARG 38 HG3 ARG 38 1.839 -0.809 -0.450
284 HD2 ARG 38 HD2 ARG 38 3.056 -2.496 -1.511
285 HD3 ARG 38 HD3 ARG 38 1.643 -3.496 -1.789
286 HE ARG 38 HE ARG 38 1.095 -2.184 -3.729
287 HH11 ARG 38 HH22 ARG 38 4.032 -1.081 -2.134
288 HH12 ARG 38 HH21 ARG 38 4.570 -0.148 -3.490
289 HH21 ARG 38 HH12 ARG 38 1.805 -0.952 -5.518
290 HH22 ARG 38 HH11 ARG 38 3.295 -0.074 -5.428
291 H GLY 39 H GLY 39 -2.164 -3.028 1.688
292 HA2 GLY 39 HA2 GLY 39 -1.223 -4.582 3.873
293 HA3 GLY 39 HA3 GLY 39 -2.248 -3.279 4.442
294 H CYS 40 H CYS 40 -3.370 -5.559 5.034
295 HA CYS 40 HA CYS 40 -4.888 -6.603 2.824
296 HB2 CYS 40 HB2 CYS 40 -4.589 -7.313 5.724
297 HB3 CYS 40 HB3 CYS 40 -5.951 -7.930 4.811
298 H GLY 41 H GLY 41 -7.288 -6.575 2.824
299 HA2 GLY 41 HA2 GLY 41 -9.342 -5.782 3.586
300 HA3 GLY 41 HA3 GLY 41 -8.533 -4.586 4.579
301 H CYS 42 H CYS 42 -10.215 -3.132 3.520
302 HA CYS 42 HA CYS 42 -8.969 -1.905 1.216
303 HB2 CYS 42 HB2 CYS 42 -10.495 -3.395 0.126
304 HB3 CYS 42 HB3 CYS 42 -11.808 -2.937 1.193
305 HA PRO 43 HA PRO 43 -10.466 0.861 4.638
306 HB2 PRO 43 HB2 PRO 43 -8.141 2.300 4.715
307 HB3 PRO 43 HB3 PRO 43 -8.331 0.728 5.579
308 HG2 PRO 43 HG2 PRO 43 -7.098 1.295 2.903
309 HG3 PRO 43 HG3 PRO 43 -6.464 0.301 4.267
310 HD2 PRO 43 HD2 PRO 43 -7.698 -0.795 2.146
311 HD3 PRO 43 HD3 PRO 43 -7.897 -1.443 3.818
312 H LYS 44 H LYS 44 -10.172 3.458 4.625
313 HA LYS 44 HA LYS 44 -10.632 4.272 1.839
314 HB2 LYS 44 HB2 LYS 44 -12.061 4.928 4.390
315 HB3 LYS 44 HB3 LYS 44 -11.976 6.152 3.140
316 HG2 LYS 44 HG2 LYS 44 -13.939 5.008 2.545
317 HG3 LYS 44 HG3 LYS 44 -12.753 4.229 1.517
318 HD2 LYS 44 HD2 LYS 44 -12.520 2.366 3.129
319 HD3 LYS 44 HD3 LYS 44 -13.606 3.163 4.250
320 HE2 LYS 44 HE2 LYS 44 -15.509 2.717 2.954
321 HE3 LYS 44 HE3 LYS 44 -14.612 2.677 1.449
322 HZ1 LYS 44 HZ1 LYS 44 -15.170 0.486 1.977
323 HZ2 LYS 44 HZ2 LYS 44 -13.578 0.602 2.318
324 HZ3 LYS 44 HZ3 LYS 44 -14.675 0.612 3.528
325 H VAL 45 H VAL 45 -9.599 6.127 1.074
326 HA VAL 45 HA VAL 45 -7.607 7.229 2.934
327 HB VAL 45 HB VAL 45 -6.190 7.594 1.020
328 HG11 VAL 45 HG11 VAL 45 -5.808 5.211 0.320
329 HG12 VAL 45 HG12 VAL 45 -5.921 5.455 2.079
330 HG13 VAL 45 HG13 VAL 45 -7.302 4.776 1.184
331 HG21 VAL 45 HG21 VAL 45 -8.608 6.706 -0.532
332 HG22 VAL 45 HG22 VAL 45 -7.523 8.089 -0.810
333 HG23 VAL 45 HG23 VAL 45 -6.978 6.439 -1.197
334 H LYS 46 H LYS 46 -6.983 9.553 2.405
335 HA LYS 46 HA LYS 46 -9.441 11.033 2.063
336 HB2 LYS 46 HB2 LYS 46 -6.731 12.225 2.621
337 HB3 LYS 46 HB3 LYS 46 -8.314 12.837 3.054
338 HG2 LYS 46 HG2 LYS 46 -8.552 10.647 4.476
339 HG3 LYS 46 HG3 LYS 46 -6.819 10.486 4.272
340 HD2 LYS 46 HD2 LYS 46 -6.873 11.719 6.247
341 HD3 LYS 46 HD3 LYS 46 -6.778 13.025 5.082
342 HE2 LYS 46 HE2 LYS 46 -8.579 13.745 6.391
343 HE3 LYS 46 HE3 LYS 46 -9.429 12.896 5.115
344 HZ1 LYS 46 HZ1 LYS 46 -9.771 11.082 6.482
345 HZ2 LYS 46 HZ2 LYS 46 -8.607 11.500 7.549
346 HZ3 LYS 46 HZ3 LYS 46 -10.005 12.342 7.494
347 HA PRO 47 HA PRO 47 -9.050 12.648 -1.941
348 HB2 PRO 47 HB2 PRO 47 -8.593 15.360 -0.752
349 HB3 PRO 47 HB3 PRO 47 -9.836 14.816 -1.940
350 HG2 PRO 47 HG2 PRO 47 -10.490 15.254 0.586
351 HG3 PRO 47 HG3 PRO 47 -11.120 13.807 -0.287
352 HD2 PRO 47 HD2 PRO 47 -8.855 14.026 1.673
353 HD3 PRO 47 HD3 PRO 47 -10.167 12.793 1.567
354 H GLY 48 H GLY 48 -7.310 12.741 -3.418
355 HA2 GLY 48 HA2 GLY 48 -5.323 13.736 -4.201
356 HA3 GLY 48 HA3 GLY 48 -4.836 14.080 -2.553
357 H VAL 49 H VAL 49 -5.572 11.430 -1.453
358 HA VAL 49 HA VAL 49 -3.175 10.057 -2.253
359 HB VAL 49 HB VAL 49 -5.251 9.075 -0.311
360 HG11 VAL 49 HG11 VAL 49 -2.221 8.860 -0.335
361 HG12 VAL 49 HG12 VAL 49 -3.334 8.085 0.818
362 HG13 VAL 49 HG13 VAL 49 -3.347 7.600 -0.894
363 HG21 VAL 49 HG21 VAL 49 -5.064 10.982 0.851
364 HG22 VAL 49 HG22 VAL 49 -3.403 10.462 1.223
365 HG23 VAL 49 HG23 VAL 49 -3.706 11.556 -0.147
366 H ASN 50 H ASN 50 -3.056 7.966 -3.195
367 HA ASN 50 HA ASN 50 -5.420 7.370 -4.750
368 HB2 ASN 50 HB2 ASN 50 -2.487 6.547 -4.940
369 HB3 ASN 50 HB3 ASN 50 -3.714 5.731 -5.889
370 HD21 ASN 50 HD21 ASN 50 -1.771 8.516 -5.497
371 HD22 ASN 50 HD22 ASN 50 -2.292 9.420 -6.880
372 H LEU 51 H LEU 51 -6.326 5.178 -4.751
373 HA LEU 51 HA LEU 51 -5.188 3.275 -2.887
374 HB2 LEU 51 HB2 LEU 51 -6.548 4.501 -1.387
375 HB3 LEU 51 HB3 LEU 51 -7.885 4.563 -2.518
376 HG LEU 51 HG LEU 51 -8.262 2.160 -2.264
377 HD11 LEU 51 HD11 LEU 51 -6.496 0.900 -1.739
378 HD12 LEU 51 HD12 LEU 51 -5.633 2.260 -0.982
379 HD13 LEU 51 HD13 LEU 51 -6.840 1.343 -0.049
380 HD21 LEU 51 HD21 LEU 51 -8.587 4.142 -0.207
381 HD22 LEU 51 HD22 LEU 51 -9.653 2.788 -0.656
382 HD23 LEU 51 HD23 LEU 51 -8.350 2.540 0.531
383 H ASN 52 H ASN 52 -5.637 1.141 -3.462
384 HA ASN 52 HA ASN 52 -7.529 0.819 -5.639
385 HB2 ASN 52 HB2 ASN 52 -5.019 0.965 -6.399
386 HB3 ASN 52 HB3 ASN 52 -4.826 -0.600 -5.634
387 HD21 ASN 52 HD21 ASN 52 -5.323 -2.367 -6.714
388 HD22 ASN 52 HD22 ASN 52 -6.185 -2.455 -8.214
389 H CYS 53 H CYS 53 -8.923 -0.862 -5.072
390 HA CYS 53 HA CYS 53 -7.905 -2.792 -3.117
391 HB2 CYS 53 HB2 CYS 53 -10.756 -1.902 -3.599
392 HB3 CYS 53 HB3 CYS 53 -10.254 -3.134 -2.459
393 H CYS 54 H CYS 54 -8.267 -5.037 -3.561
394 HA CYS 54 HA CYS 54 -9.714 -5.710 -5.963
395 HB2 CYS 54 HB2 CYS 54 -7.669 -7.161 -6.659
396 HB3 CYS 54 HB3 CYS 54 -7.779 -5.482 -7.147
397 H ARG 55 H ARG 55 -9.866 -8.199 -6.113
398 HA ARG 55 HA ARG 55 -9.764 -9.242 -3.398
399 HB2 ARG 55 HB2 ARG 55 -11.591 -9.990 -5.737
400 HB3 ARG 55 HB3 ARG 55 -11.586 -10.829 -4.199
401 HG2 ARG 55 HG2 ARG 55 -12.579 -9.054 -3.056
402 HG3 ARG 55 HG3 ARG 55 -11.878 -7.838 -4.105
403 HD2 ARG 55 HD2 ARG 55 -14.053 -9.769 -5.038
404 HD3 ARG 55 HD3 ARG 55 -14.410 -8.195 -4.353
405 HE ARG 55 HE ARG 55 -13.265 -8.735 -7.005
406 HH11 ARG 55 HH22 ARG 55 -13.733 -6.326 -4.482
407 HH12 ARG 55 HH21 ARG 55 -13.531 -4.980 -5.552
408 HH21 ARG 55 HH12 ARG 55 -13.000 -6.958 -8.418
409 HH22 ARG 55 HH11 ARG 55 -13.112 -5.342 -7.806
410 H THR 56 H THR 56 -7.379 -9.344 -4.811
411 HA THR 56 HA THR 56 -7.199 -12.203 -5.453
412 HB THR 56 HB THR 56 -5.440 -11.277 -7.230
413 HG1 THR 56 HG1 THR 56 -6.138 -9.128 -7.893
414 HG21 THR 56 HG21 THR 56 -7.271 -10.968 -8.933
415 HG22 THR 56 HG22 THR 56 -7.511 -12.438 -7.958
416 HG23 THR 56 HG23 THR 56 -8.465 -10.976 -7.614
417 H ASP 57 H ASP 57 -5.302 -13.239 -4.818
418 HA ASP 57 HA ASP 57 -4.132 -12.200 -2.556
419 HB2 ASP 57 HB2 ASP 57 -3.058 -14.316 -4.481
420 HB3 ASP 57 HB3 ASP 57 -2.470 -14.066 -2.850
421 H ARG 58 H ARG 58 -2.092 -11.130 -2.213
422 HA ARG 58 HA ARG 58 -0.611 -9.612 -2.731
423 HB2 ARG 58 HB2 ARG 58 0.373 -11.498 -4.909
424 HB3 ARG 58 HB3 ARG 58 1.332 -10.494 -3.839
425 HG2 ARG 58 HG2 ARG 58 0.252 -11.940 -1.909
426 HG3 ARG 58 HG3 ARG 58 -0.138 -13.069 -3.191
427 HD2 ARG 58 HD2 ARG 58 2.219 -13.307 -3.803
428 HD3 ARG 58 HD3 ARG 58 2.685 -11.995 -2.739
429 HE ARG 58 HE ARG 58 2.471 -13.430 -0.870
430 HH11 ARG 58 HH22 ARG 58 1.220 -14.988 -3.766
431 HH12 ARG 58 HH21 ARG 58 1.111 -16.553 -3.032
432 HH21 ARG 58 HH12 ARG 58 2.327 -15.494 0.100
433 HH22 ARG 58 HH11 ARG 58 1.744 -16.843 -0.818
434 H CYS 59 H CYS 59 -3.066 -9.127 -4.137
435 HA CYS 59 HA CYS 59 -2.352 -8.530 -6.862
436 HB2 CYS 59 HB2 CYS 59 -4.627 -7.917 -7.171
437 HB3 CYS 59 HB3 CYS 59 -4.582 -9.417 -6.266
438 H ASN 60 H ASN 60 -2.416 -7.053 -3.676
439 HA ASN 60 HA ASN 60 -2.373 -4.401 -4.809
440 HB2 ASN 60 HB2 ASN 60 -2.478 -3.633 -2.465
441 HB3 ASN 60 HB3 ASN 60 -3.694 -4.869 -2.718
442 HD21 ASN 60 HD21 ASN 60 -2.135 -3.903 -0.342
443 HD22 ASN 60 HD22 ASN 60 -1.464 -5.320 0.394
444 H ASN 61 H ASN 61 -0.173 -5.842 -5.693
445 HA ASN 61 HA ASN 61 1.974 -5.577 -3.839
446 HB2 ASN 61 HB2 ASN 61 3.259 -6.750 -5.446
447 HB3 ASN 61 HB3 ASN 61 1.644 -7.347 -5.775
448 HD21 ASN 61 HD21 ASN 61 0.735 -7.037 -7.698
449 HD22 ASN 61 HD22 ASN 61 1.409 -6.125 -9.008
Start of MODEL 15
1 H1 LEU 1 H1 LEU 1 -6.839 -15.937 1.772
2 H2 LEU 1 H2 LEU 1 -6.779 -14.767 2.942
3 H3 LEU 1 H3 LEU 1 -5.424 -15.648 2.582
4 HA LEU 1 HA LEU 1 -5.576 -14.784 0.304
5 HB2 LEU 1 HB2 LEU 1 -7.818 -14.026 0.297
6 HB3 LEU 1 HB3 LEU 1 -7.574 -13.030 1.718
7 HG LEU 1 HG LEU 1 -5.872 -11.726 0.242
8 HD11 LEU 1 HD11 LEU 1 -6.501 -11.729 -2.174
9 HD12 LEU 1 HD12 LEU 1 -5.704 -13.222 -1.621
10 HD13 LEU 1 HD13 LEU 1 -7.466 -13.194 -1.872
11 HD21 LEU 1 HD21 LEU 1 -7.748 -10.559 0.970
12 HD22 LEU 1 HD22 LEU 1 -7.854 -10.439 -0.803
13 HD23 LEU 1 HD23 LEU 1 -8.875 -11.605 0.072
14 H GLU 2 H GLU 2 -3.741 -13.602 -0.109
15 HA GLU 2 HA GLU 2 -2.591 -12.331 2.248
16 HB2 GLU 2 HB2 GLU 2 -1.144 -13.352 -0.234
17 HB3 GLU 2 HB3 GLU 2 -0.393 -12.754 1.232
18 HG2 GLU 2 HG2 GLU 2 -2.280 -15.153 1.195
19 HG3 GLU 2 HG3 GLU 2 -0.543 -15.305 1.022
20 H CYS 3 H CYS 3 -1.645 -10.223 2.068
21 HA CYS 3 HA CYS 3 -2.073 -8.897 -0.494
22 HB2 CYS 3 HB2 CYS 3 -2.877 -7.613 2.115
23 HB3 CYS 3 HB3 CYS 3 -3.124 -7.001 0.492
24 H HIS 4 H HIS 4 -0.395 -7.435 -0.983
25 HA HIS 4 HA HIS 4 1.980 -7.712 0.457
26 HB2 HIS 4 HB2 HIS 4 1.029 -6.005 -1.815
27 HB3 HIS 4 HB3 HIS 4 2.549 -5.601 -1.042
28 HD1 HIS 4 HD1 HIS 4 4.562 -7.199 -1.406
29 HD2 HIS 4 HD2 HIS 4 1.018 -8.464 -3.261
30 HE1 HIS 4 HE1 HIS 4 5.220 -9.085 -2.994
31 HE2 HIS 4 HE2 HIS 4 2.994 -9.858 -4.063
32 H ASN 5 H ASN 5 3.120 -6.257 1.829
33 HA ASN 5 HA ASN 5 1.440 -4.110 2.860
34 HB2 ASN 5 HB2 ASN 5 2.058 -4.643 5.110
35 HB3 ASN 5 HB3 ASN 5 1.737 -6.206 4.385
36 HD21 ASN 5 HD21 ASN 5 3.791 -4.566 6.299
37 HD22 ASN 5 HD22 ASN 5 5.262 -5.454 6.084
38 H GLN 6 H GLN 6 3.843 -4.508 0.862
39 HA GLN 6 HA GLN 6 6.108 -3.454 2.081
40 HB2 GLN 6 HB2 GLN 6 7.052 -3.525 -0.040
41 HB3 GLN 6 HB3 GLN 6 5.723 -4.646 -0.257
42 HG2 GLN 6 HG2 GLN 6 4.321 -2.663 -1.092
43 HG3 GLN 6 HG3 GLN 6 5.789 -1.707 -1.074
44 HE21 GLN 6 HE21 GLN 6 7.669 -3.555 -1.870
45 HE22 GLN 6 HE22 GLN 6 7.400 -4.027 -3.515
46 H GLN 7 H GLN 7 6.844 -1.344 2.401
47 HA GLN 7 HA GLN 7 4.864 0.698 1.780
48 HB2 GLN 7 HB2 GLN 7 5.311 0.475 4.172
49 HB3 GLN 7 HB3 GLN 7 7.041 0.587 3.911
50 HG2 GLN 7 HG2 GLN 7 6.707 2.913 2.971
51 HG3 GLN 7 HG3 GLN 7 5.001 2.793 3.356
52 HE21 GLN 7 HE21 GLN 7 8.074 3.610 4.450
53 HE22 GLN 7 HE22 GLN 7 7.748 3.838 6.135
54 H SER 8 H SER 8 5.484 2.632 0.707
55 HA SER 8 HA SER 8 6.551 3.702 -0.870
56 HB2 SER 8 HB2 SER 8 9.069 3.260 0.781
57 HB3 SER 8 HB3 SER 8 8.693 4.634 -0.239
58 HG SER 8 HG SER 8 7.226 5.408 1.245
59 H SER 9 H SER 9 9.732 3.122 -1.041
60 HA SER 9 HA SER 9 9.349 1.146 -3.110
61 HB2 SER 9 HB2 SER 9 11.704 1.791 -3.755
62 HB3 SER 9 HB3 SER 9 10.562 3.119 -3.797
63 HG SER 9 HG SER 9 12.832 2.795 -2.238
64 H GLN 10 H GLN 10 9.392 0.616 -0.074
65 HA GLN 10 HA GLN 10 11.829 -0.645 0.481
66 HB2 GLN 10 HB2 GLN 10 9.127 -1.206 1.773
67 HB3 GLN 10 HB3 GLN 10 10.708 -1.481 2.479
68 HG2 GLN 10 HG2 GLN 10 10.058 1.312 1.543
69 HG3 GLN 10 HG3 GLN 10 9.285 0.744 3.009
70 HE21 GLN 10 HE21 GLN 10 10.406 0.531 4.858
71 HE22 GLN 10 HE22 GLN 10 12.076 0.941 5.067
72 HA PRO 11 HA PRO 11 11.657 -4.724 -1.057
73 HB2 PRO 11 HB2 PRO 11 11.390 -5.737 1.750
74 HB3 PRO 11 HB3 PRO 11 12.611 -6.145 0.488
75 HG2 PRO 11 HG2 PRO 11 13.243 -4.558 2.508
76 HG3 PRO 11 HG3 PRO 11 13.776 -4.164 0.830
77 HD2 PRO 11 HD2 PRO 11 11.494 -3.041 2.428
78 HD3 PRO 11 HD3 PRO 11 12.708 -2.188 1.402
79 HA PRO 12 HA PRO 12 7.280 -5.542 -1.367
80 HB2 PRO 12 HB2 PRO 12 8.384 -8.030 -2.620
81 HB3 PRO 12 HB3 PRO 12 7.167 -6.860 -3.256
82 HG2 PRO 12 HG2 PRO 12 9.645 -6.859 -4.182
83 HG3 PRO 12 HG3 PRO 12 8.802 -5.307 -3.816
84 HD2 PRO 12 HD2 PRO 12 10.845 -6.804 -2.202
85 HD3 PRO 12 HD3 PRO 12 10.731 -5.040 -2.558
86 H THR 13 H THR 13 6.051 -6.396 0.338
87 HA THR 13 HA THR 13 6.846 -9.028 1.375
88 HB THR 13 HB THR 13 6.110 -7.943 3.668
89 HG1 THR 13 HG1 THR 13 5.425 -5.986 2.300
90 HG21 THR 13 HG21 THR 13 8.388 -6.855 3.969
91 HG22 THR 13 HG22 THR 13 8.481 -8.508 3.315
92 HG23 THR 13 HG23 THR 13 8.685 -7.110 2.233
93 H THR 14 H THR 14 4.969 -9.840 2.914
94 HA THR 14 HA THR 14 2.376 -9.018 1.869
95 HB THR 14 HB THR 14 1.973 -11.605 1.518
96 HG1 THR 14 HG1 THR 14 4.876 -11.182 1.363
97 HG21 THR 14 HG21 THR 14 3.731 -9.892 -0.304
98 HG22 THR 14 HG22 THR 14 3.185 -11.522 -0.766
99 HG23 THR 14 HG23 THR 14 1.993 -10.232 -0.479
100 H LYS 15 H LYS 15 0.565 -9.854 3.141
101 HA LYS 15 HA LYS 15 1.303 -11.019 5.689
102 HB2 LYS 15 HB2 LYS 15 0.278 -8.207 5.367
103 HB3 LYS 15 HB3 LYS 15 -0.140 -9.138 6.791
104 HG2 LYS 15 HG2 LYS 15 2.272 -9.539 7.261
105 HG3 LYS 15 HG3 LYS 15 2.715 -8.664 5.809
106 HD2 LYS 15 HD2 LYS 15 2.954 -7.103 7.625
107 HD3 LYS 15 HD3 LYS 15 1.504 -6.626 6.765
108 HE2 LYS 15 HE2 LYS 15 0.158 -8.012 8.449
109 HE3 LYS 15 HE3 LYS 15 1.640 -8.232 9.358
110 HZ1 LYS 15 HZ1 LYS 15 0.621 -5.580 8.630
111 HZ2 LYS 15 HZ2 LYS 15 0.236 -6.322 10.033
112 HZ3 LYS 15 HZ3 LYS 15 1.790 -5.933 9.714
113 H THR 16 H THR 16 -0.502 -12.012 6.768
114 HA THR 16 HA THR 16 -2.528 -12.845 4.909
115 HB THR 16 HB THR 16 -2.385 -13.476 7.886
116 HG1 THR 16 HG1 THR 16 -0.343 -14.162 7.374
117 HG21 THR 16 HG21 THR 16 -3.417 -14.772 5.367
118 HG22 THR 16 HG22 THR 16 -2.685 -15.838 6.590
119 HG23 THR 16 HG23 THR 16 -4.085 -14.825 7.016
120 H CYS 17 H CYS 17 -4.626 -12.241 4.744
121 HA CYS 17 HA CYS 17 -5.337 -9.878 6.239
122 HB2 CYS 17 HB2 CYS 17 -7.076 -11.237 4.197
123 HB3 CYS 17 HB3 CYS 17 -7.058 -9.553 4.682
124 H SER 18 H SER 18 -6.541 -9.991 8.105
125 HA SER 18 HA SER 18 -7.837 -12.536 8.636
126 HB2 SER 18 HB2 SER 18 -6.799 -10.306 10.410
127 HB3 SER 18 HB3 SER 18 -7.954 -11.468 11.033
128 HG SER 18 HG SER 18 -5.521 -12.299 9.717
129 H GLY 19 H GLY 19 -10.026 -12.617 8.304
130 HA2 GLY 19 HA2 GLY 19 -12.204 -12.005 8.463
131 HA3 GLY 19 HA3 GLY 19 -11.734 -10.512 9.252
132 H GLU 20 H GLU 20 -9.717 -10.394 6.704
133 HA GLU 20 HA GLU 20 -11.694 -8.973 5.116
134 HB2 GLU 20 HB2 GLU 20 -8.683 -8.710 4.831
135 HB3 GLU 20 HB3 GLU 20 -9.921 -7.575 4.332
136 HG2 GLU 20 HG2 GLU 20 -10.411 -6.934 6.597
137 HG3 GLU 20 HG3 GLU 20 -9.573 -8.323 7.260
138 H THR 21 H THR 21 -11.418 -9.056 2.687
139 HA THR 21 HA THR 21 -10.077 -11.488 1.765
140 HB THR 21 HB THR 21 -12.274 -11.918 0.425
141 HG1 THR 21 HG1 THR 21 -13.559 -10.137 0.845
142 HG21 THR 21 HG21 THR 21 -12.257 -12.137 3.480
143 HG22 THR 21 HG22 THR 21 -13.477 -12.906 2.437
144 HG23 THR 21 HG23 THR 21 -11.771 -13.400 2.325
145 H ASN 22 H ASN 22 -9.881 -8.367 1.661
146 HA ASN 22 HA ASN 22 -9.519 -8.371 -1.223
147 HB2 ASN 22 HB2 ASN 22 -10.659 -6.080 0.464
148 HB3 ASN 22 HB3 ASN 22 -10.230 -5.936 -1.229
149 HD21 ASN 22 HD21 ASN 22 -12.352 -7.474 1.097
150 HD22 ASN 22 HD22 ASN 22 -13.625 -7.919 0.010
151 H CYS 23 H CYS 23 -7.785 -6.788 -1.906
152 HA CYS 23 HA CYS 23 -6.002 -6.166 0.337
153 HB2 CYS 23 HB2 CYS 23 -5.187 -6.798 -2.506
154 HB3 CYS 23 HB3 CYS 23 -4.121 -6.485 -1.151
155 H TYR 24 H TYR 24 -5.222 -4.030 0.439
156 HA TYR 24 HA TYR 24 -6.213 -2.245 -1.682
157 HB2 TYR 24 HB2 TYR 24 -6.610 -0.676 0.120
158 HB3 TYR 24 HB3 TYR 24 -7.107 -2.211 0.804
159 HD1 TYR 24 HD2 TYR 24 -4.517 0.409 0.841
160 HD2 TYR 24 HD1 TYR 24 -5.823 -3.276 2.580
161 HE1 TYR 24 HE2 TYR 24 -2.889 0.732 2.767
162 HE2 TYR 24 HE1 TYR 24 -4.190 -2.941 4.499
163 HH TYR 24 HH TYR 24 -2.111 -0.057 4.614
164 H LYS 25 H LYS 25 -4.865 -0.410 -2.251
165 HA LYS 25 HA LYS 25 -2.115 -0.577 -1.292
166 HB2 LYS 25 HB2 LYS 25 -1.985 -1.929 -3.241
167 HB3 LYS 25 HB3 LYS 25 -2.994 -0.840 -4.172
168 HG2 LYS 25 HG2 LYS 25 -1.154 0.955 -3.748
169 HG3 LYS 25 HG3 LYS 25 -0.144 -0.371 -3.208
170 HD2 LYS 25 HD2 LYS 25 -0.362 -1.499 -5.385
171 HD3 LYS 25 HD3 LYS 25 -1.526 -0.308 -5.930
172 HE2 LYS 25 HE2 LYS 25 1.188 0.650 -5.001
173 HE3 LYS 25 HE3 LYS 25 1.061 -0.100 -6.580
174 HZ1 LYS 25 HZ1 LYS 25 0.269 2.464 -5.808
175 HZ2 LYS 25 HZ2 LYS 25 0.301 1.816 -7.307
176 HZ3 LYS 25 HZ3 LYS 25 -1.035 1.664 -6.379
177 H LYS 26 H LYS 26 -1.606 1.393 -0.518
178 HA LYS 26 HA LYS 26 -2.954 3.683 -1.767
179 HB2 LYS 26 HB2 LYS 26 -3.430 3.149 0.670
180 HB3 LYS 26 HB3 LYS 26 -1.761 3.561 1.013
181 HG2 LYS 26 HG2 LYS 26 -2.176 5.816 -0.129
182 HG3 LYS 26 HG3 LYS 26 -3.874 5.391 -0.214
183 HD2 LYS 26 HD2 LYS 26 -2.212 6.114 2.176
184 HD3 LYS 26 HD3 LYS 26 -3.873 6.535 1.809
185 HE2 LYS 26 HE2 LYS 26 -4.404 4.002 2.179
186 HE3 LYS 26 HE3 LYS 26 -2.815 3.903 2.912
187 HZ1 LYS 26 HZ1 LYS 26 -4.357 6.105 3.855
188 HZ2 LYS 26 HZ2 LYS 26 -5.048 4.659 4.174
189 HZ3 LYS 26 HZ3 LYS 26 -3.533 4.974 4.698
190 H TRP 27 H TRP 27 -1.731 5.470 -2.445
191 HA TRP 27 HA TRP 27 1.085 5.544 -1.937
192 HB2 TRP 27 HB2 TRP 27 1.894 5.217 -4.132
193 HB3 TRP 27 HB3 TRP 27 0.932 3.814 -3.712
194 HD1 TRP 27 HD1 TRP 27 1.051 6.677 -6.223
195 HE1 TRP 27 HE1 TRP 27 -0.794 6.424 -8.093
196 HE3 TRP 27 HE3 TRP 27 -1.459 2.872 -3.969
197 HZ2 TRP 27 HZ2 TRP 27 -3.045 4.700 -8.412
198 HZ3 TRP 27 HZ3 TRP 27 -3.470 1.961 -5.127
199 HH2 TRP 27 HH2 TRP 27 -4.272 2.813 -7.273
200 H TRP 28 H TRP 28 1.900 7.656 -2.404
201 HA TRP 28 HA TRP 28 0.319 9.493 -3.921
202 HB2 TRP 28 HB2 TRP 28 -0.222 11.031 -2.153
203 HB3 TRP 28 HB3 TRP 28 -0.986 9.480 -1.863
204 HD1 TRP 28 HD1 TRP 28 1.542 11.872 -0.309
205 HE1 TRP 28 HE1 TRP 28 2.292 11.085 2.095
206 HE3 TRP 28 HE3 TRP 28 -0.629 7.281 -0.562
207 HZ2 TRP 28 HZ2 TRP 28 1.902 8.684 3.588
208 HZ3 TRP 28 HZ3 TRP 28 -0.396 5.776 1.413
209 HH2 TRP 28 HH2 TRP 28 0.817 6.413 3.437
210 H SER 29 H SER 29 1.450 11.781 -3.676
211 HA SER 29 HA SER 29 4.298 11.201 -3.553
212 HB2 SER 29 HB2 SER 29 3.060 12.156 -5.673
213 HB3 SER 29 HB3 SER 29 3.089 13.681 -4.809
214 HG SER 29 HG SER 29 5.095 12.491 -6.212
215 H ASP 30 H ASP 30 5.740 12.842 -2.562
216 HA ASP 30 HA ASP 30 4.385 14.783 -0.915
217 HB2 ASP 30 HB2 ASP 30 6.354 12.721 0.183
218 HB3 ASP 30 HB3 ASP 30 5.728 14.082 1.091
219 H HIS 31 H HIS 31 6.178 16.236 0.196
220 HA HIS 31 HA HIS 31 7.979 17.031 -1.811
221 HB2 HIS 31 HB2 HIS 31 7.151 18.742 -0.462
222 HB3 HIS 31 HB3 HIS 31 7.425 17.854 1.024
223 HD1 HIS 31 HD1 HIS 31 9.783 18.987 -1.799
224 HD2 HIS 31 HD2 HIS 31 9.438 19.078 2.380
225 HE1 HIS 31 HE1 HIS 31 11.876 20.162 -0.935
226 HE2 HIS 31 HE2 HIS 31 11.581 20.236 1.635
227 H ARG 32 H ARG 32 8.066 14.462 0.416
228 HA ARG 32 HA ARG 32 10.958 14.573 0.561
229 HB2 ARG 32 HB2 ARG 32 9.573 14.173 2.665
230 HB3 ARG 32 HB3 ARG 32 9.036 12.655 1.973
231 HG2 ARG 32 HG2 ARG 32 11.428 11.899 1.810
232 HG3 ARG 32 HG3 ARG 32 11.944 13.407 2.539
233 HD2 ARG 32 HD2 ARG 32 10.505 12.853 4.564
234 HD3 ARG 32 HD3 ARG 32 10.160 11.295 3.842
235 HE ARG 32 HE ARG 32 12.998 11.661 3.869
236 HH11 ARG 32 HH22 ARG 32 10.329 11.137 6.102
237 HH12 ARG 32 HH21 ARG 32 11.311 10.350 7.292
238 HH21 ARG 32 HH12 ARG 32 14.294 10.623 5.439
239 HH22 ARG 32 HH11 ARG 32 13.581 10.055 6.912
240 H GLY 33 H GLY 33 8.200 12.865 -0.854
241 HA2 GLY 33 HA2 GLY 33 9.368 11.716 -2.960
242 HA3 GLY 33 HA3 GLY 33 9.782 10.577 -1.695
243 H THR 34 H THR 34 8.352 9.269 -3.367
244 HA THR 34 HA THR 34 5.508 9.699 -2.967
245 HB THR 34 HB THR 34 7.267 7.907 -4.694
246 HG1 THR 34 HG1 THR 34 6.771 10.068 -5.416
247 HG21 THR 34 HG21 THR 34 4.444 7.799 -5.382
248 HG22 THR 34 HG22 THR 34 5.555 6.444 -5.067
249 HG23 THR 34 HG23 THR 34 4.662 7.194 -3.722
250 H ILE 35 H ILE 35 4.485 8.973 -1.220
251 HA ILE 35 HA ILE 35 5.691 6.776 0.246
252 HB ILE 35 HB ILE 35 3.389 8.625 0.877
253 HG12 ILE 35 HG12 ILE 35 6.301 8.596 1.680
254 HG13 ILE 35 HG13 ILE 35 5.402 9.880 0.898
255 HG21 ILE 35 HG21 ILE 35 2.998 6.527 1.981
256 HG22 ILE 35 HG22 ILE 35 4.685 6.454 2.545
257 HG23 ILE 35 HG23 ILE 35 3.587 7.703 3.180
258 HD11 ILE 35 HD11 ILE 35 5.082 8.887 3.762
259 HD12 ILE 35 HD12 ILE 35 5.624 10.495 3.222
260 HD13 ILE 35 HD13 ILE 35 3.930 10.001 2.986
261 H ILE 36 H ILE 36 4.854 4.721 0.382
262 HA ILE 36 HA ILE 36 2.286 4.289 -0.965
263 HB ILE 36 HB ILE 36 4.648 2.444 -1.253
264 HG12 ILE 36 HG12 ILE 36 3.775 4.652 -3.139
265 HG13 ILE 36 HG13 ILE 36 5.266 4.607 -2.218
266 HG21 ILE 36 HG21 ILE 36 3.300 1.119 -2.439
267 HG22 ILE 36 HG22 ILE 36 1.961 2.042 -1.715
268 HG23 ILE 36 HG23 ILE 36 2.581 2.486 -3.323
269 HD11 ILE 36 HD11 ILE 36 4.441 2.548 -4.318
270 HD12 ILE 36 HD12 ILE 36 5.624 3.856 -4.560
271 HD13 ILE 36 HD13 ILE 36 5.969 2.545 -3.406
272 H GLU 37 H GLU 37 0.847 3.348 0.375
273 HA GLU 37 HA GLU 37 1.970 1.661 2.471
274 HB2 GLU 37 HB2 GLU 37 1.181 3.927 3.307
275 HB3 GLU 37 HB3 GLU 37 -0.440 3.499 2.798
276 HG2 GLU 37 HG2 GLU 37 -0.482 1.579 4.327
277 HG3 GLU 37 HG3 GLU 37 1.208 1.806 4.732
278 H ARG 38 H ARG 38 1.323 -0.418 2.131
279 HA ARG 38 HA ARG 38 -1.373 -0.747 1.084
280 HB2 ARG 38 HB2 ARG 38 0.872 -2.740 0.577
281 HB3 ARG 38 HB3 ARG 38 -0.648 -2.589 -0.282
282 HG2 ARG 38 HG2 ARG 38 0.064 -0.410 -1.226
283 HG3 ARG 38 HG3 ARG 38 1.552 -0.469 -0.303
284 HD2 ARG 38 HD2 ARG 38 1.781 -2.861 -1.561
285 HD3 ARG 38 HD3 ARG 38 0.761 -2.055 -2.736
286 HE ARG 38 HE ARG 38 3.294 -0.767 -1.779
287 HH11 ARG 38 HH22 ARG 38 1.256 -1.951 -4.392
288 HH12 ARG 38 HH21 ARG 38 2.261 -1.299 -5.643
289 HH21 ARG 38 HH12 ARG 38 4.620 0.093 -3.429
290 HH22 ARG 38 HH11 ARG 38 4.188 -0.128 -5.091
291 H GLY 39 H GLY 39 -2.364 -2.939 1.693
292 HA2 GLY 39 HA2 GLY 39 -1.223 -4.563 3.693
293 HA3 GLY 39 HA3 GLY 39 -2.248 -3.361 4.451
294 H CYS 40 H CYS 40 -3.357 -5.571 5.017
295 HA CYS 40 HA CYS 40 -4.896 -6.672 2.857
296 HB2 CYS 40 HB2 CYS 40 -4.565 -7.300 5.773
297 HB3 CYS 40 HB3 CYS 40 -5.926 -7.958 4.887
298 H GLY 41 H GLY 41 -7.276 -6.625 2.819
299 HA2 GLY 41 HA2 GLY 41 -9.344 -5.844 3.544
300 HA3 GLY 41 HA3 GLY 41 -8.560 -4.662 4.573
301 H CYS 42 H CYS 42 -10.256 -3.224 3.483
302 HA CYS 42 HA CYS 42 -8.967 -1.964 1.211
303 HB2 CYS 42 HB2 CYS 42 -10.513 -3.419 0.106
304 HB3 CYS 42 HB3 CYS 42 -11.818 -2.961 1.182
305 HA PRO 43 HA PRO 43 -10.415 0.792 4.660
306 HB2 PRO 43 HB2 PRO 43 -8.075 2.206 4.733
307 HB3 PRO 43 HB3 PRO 43 -8.275 0.630 5.585
308 HG2 PRO 43 HG2 PRO 43 -7.055 1.206 2.904
309 HG3 PRO 43 HG3 PRO 43 -6.422 0.195 4.257
310 HD2 PRO 43 HD2 PRO 43 -7.682 -0.872 2.136
311 HD3 PRO 43 HD3 PRO 43 -7.875 -1.531 3.803
312 H LYS 44 H LYS 44 -10.107 3.383 4.667
313 HA LYS 44 HA LYS 44 -10.567 4.227 1.890
314 HB2 LYS 44 HB2 LYS 44 -12.488 4.200 3.702
315 HB3 LYS 44 HB3 LYS 44 -11.734 5.688 4.236
316 HG2 LYS 44 HG2 LYS 44 -12.189 6.815 2.220
317 HG3 LYS 44 HG3 LYS 44 -12.255 5.336 1.282
318 HD2 LYS 44 HD2 LYS 44 -14.515 6.412 1.652
319 HD3 LYS 44 HD3 LYS 44 -14.428 4.746 2.189
320 HE2 LYS 44 HE2 LYS 44 -13.834 6.995 4.140
321 HE3 LYS 44 HE3 LYS 44 -15.495 6.569 3.778
322 HZ1 LYS 44 HZ1 LYS 44 -14.455 4.185 4.226
323 HZ2 LYS 44 HZ2 LYS 44 -13.515 5.076 5.221
324 HZ3 LYS 44 HZ3 LYS 44 -15.138 5.097 5.396
325 H VAL 45 H VAL 45 -9.519 6.078 1.140
326 HA VAL 45 HA VAL 45 -7.526 7.158 3.012
327 HB VAL 45 HB VAL 45 -6.095 7.517 1.111
328 HG11 VAL 45 HG11 VAL 45 -5.845 5.369 2.147
329 HG12 VAL 45 HG12 VAL 45 -7.240 4.712 1.257
330 HG13 VAL 45 HG13 VAL 45 -5.745 5.130 0.386
331 HG21 VAL 45 HG21 VAL 45 -7.456 8.048 -0.706
332 HG22 VAL 45 HG22 VAL 45 -6.852 6.428 -1.127
333 HG23 VAL 45 HG23 VAL 45 -8.497 6.623 -0.476
334 H LYS 46 H LYS 46 -6.887 9.480 2.499
335 HA LYS 46 HA LYS 46 -9.336 10.975 2.141
336 HB2 LYS 46 HB2 LYS 46 -6.627 12.152 2.735
337 HB3 LYS 46 HB3 LYS 46 -8.212 12.766 3.157
338 HG2 LYS 46 HG2 LYS 46 -8.365 10.406 4.468
339 HG3 LYS 46 HG3 LYS 46 -6.619 10.562 4.453
340 HD2 LYS 46 HD2 LYS 46 -8.260 12.960 5.279
341 HD3 LYS 46 HD3 LYS 46 -8.097 11.637 6.416
342 HE2 LYS 46 HE2 LYS 46 -5.662 12.845 5.044
343 HE3 LYS 46 HE3 LYS 46 -6.322 13.550 6.506
344 HZ1 LYS 46 HZ1 LYS 46 -6.033 11.438 7.597
345 HZ2 LYS 46 HZ2 LYS 46 -5.450 10.756 6.232
346 HZ3 LYS 46 HZ3 LYS 46 -4.609 11.942 6.977
347 HA PRO 47 HA PRO 47 -8.886 12.625 -1.843
348 HB2 PRO 47 HB2 PRO 47 -8.399 15.320 -0.630
349 HB3 PRO 47 HB3 PRO 47 -9.640 14.804 -1.832
350 HG2 PRO 47 HG2 PRO 47 -10.308 15.233 0.691
351 HG3 PRO 47 HG3 PRO 47 -10.953 13.802 -0.198
352 HD2 PRO 47 HD2 PRO 47 -8.701 13.972 1.783
353 HD3 PRO 47 HD3 PRO 47 -10.031 12.760 1.656
354 H GLY 48 H GLY 48 -7.135 12.713 -3.309
355 HA2 GLY 48 HA2 GLY 48 -5.126 13.688 -4.065
356 HA3 GLY 48 HA3 GLY 48 -4.647 14.001 -2.409
357 H VAL 49 H VAL 49 -5.431 11.349 -1.349
358 HA VAL 49 HA VAL 49 -3.053 9.948 -2.155
359 HB VAL 49 HB VAL 49 -5.145 8.956 -0.239
360 HG11 VAL 49 HG11 VAL 49 -2.136 8.666 -0.472
361 HG12 VAL 49 HG12 VAL 49 -3.067 8.142 0.952
362 HG13 VAL 49 HG13 VAL 49 -3.377 7.401 -0.636
363 HG21 VAL 49 HG21 VAL 49 -3.602 11.438 -0.030
364 HG22 VAL 49 HG22 VAL 49 -4.978 10.858 0.938
365 HG23 VAL 49 HG23 VAL 49 -3.326 10.329 1.335
366 H ASN 50 H ASN 50 -2.966 7.863 -3.118
367 HA ASN 50 HA ASN 50 -5.338 7.322 -4.682
368 HB2 ASN 50 HB2 ASN 50 -2.404 6.534 -4.904
369 HB3 ASN 50 HB3 ASN 50 -3.617 5.654 -5.812
370 HD21 ASN 50 HD21 ASN 50 -1.771 8.518 -5.515
371 HD22 ASN 50 HD22 ASN 50 -2.341 9.366 -6.914
372 H LEU 51 H LEU 51 -6.337 5.197 -4.638
373 HA LEU 51 HA LEU 51 -5.187 3.231 -2.835
374 HB2 LEU 51 HB2 LEU 51 -6.523 4.469 -1.317
375 HB3 LEU 51 HB3 LEU 51 -7.868 4.545 -2.438
376 HG LEU 51 HG LEU 51 -8.273 2.154 -2.186
377 HD11 LEU 51 HD11 LEU 51 -6.525 0.854 -1.709
378 HD12 LEU 51 HD12 LEU 51 -5.611 2.197 -0.981
379 HD13 LEU 51 HD13 LEU 51 -6.803 1.301 -0.009
380 HD21 LEU 51 HD21 LEU 51 -8.552 4.120 -0.124
381 HD22 LEU 51 HD22 LEU 51 -9.611 2.745 -0.521
382 HD23 LEU 51 HD23 LEU 51 -8.266 2.531 0.625
383 H ASN 52 H ASN 52 -5.647 1.116 -3.450
384 HA ASN 52 HA ASN 52 -7.577 0.837 -5.598
385 HB2 ASN 52 HB2 ASN 52 -5.501 0.913 -6.825
386 HB3 ASN 52 HB3 ASN 52 -4.654 -0.030 -5.615
387 HD21 ASN 52 HD21 ASN 52 -6.897 -0.067 -8.274
388 HD22 ASN 52 HD22 ASN 52 -6.908 -1.772 -8.576
389 H CYS 53 H CYS 53 -8.965 -0.845 -5.023
390 HA CYS 53 HA CYS 53 -7.919 -2.799 -3.109
391 HB2 CYS 53 HB2 CYS 53 -10.790 -1.973 -3.593
392 HB3 CYS 53 HB3 CYS 53 -10.245 -3.167 -2.431
393 H CYS 54 H CYS 54 -8.354 -5.056 -3.539
394 HA CYS 54 HA CYS 54 -9.743 -5.708 -5.974
395 HB2 CYS 54 HB2 CYS 54 -7.700 -7.160 -6.659
396 HB3 CYS 54 HB3 CYS 54 -7.787 -5.473 -7.125
397 H ARG 55 H ARG 55 -9.932 -8.184 -6.132
398 HA ARG 55 HA ARG 55 -9.843 -9.251 -3.426
399 HB2 ARG 55 HB2 ARG 55 -11.684 -9.944 -5.770
400 HB3 ARG 55 HB3 ARG 55 -11.683 -10.812 -4.248
401 HG2 ARG 55 HG2 ARG 55 -12.649 -9.046 -3.067
402 HG3 ARG 55 HG3 ARG 55 -11.941 -7.820 -4.100
403 HD2 ARG 55 HD2 ARG 55 -14.253 -7.780 -4.670
404 HD3 ARG 55 HD3 ARG 55 -13.518 -8.698 -5.969
405 HE ARG 55 HE ARG 55 -14.730 -10.567 -5.276
406 HH11 ARG 55 HH22 ARG 55 -14.506 -8.310 -2.586
407 HH12 ARG 55 HH21 ARG 55 -15.542 -9.238 -1.554
408 HH21 ARG 55 HH12 ARG 55 -16.097 -11.792 -3.915
409 HH22 ARG 55 HH11 ARG 55 -16.453 -11.232 -2.315
410 H THR 56 H THR 56 -7.459 -9.376 -4.833
411 HA THR 56 HA THR 56 -7.319 -12.230 -5.505
412 HB THR 56 HB THR 56 -5.546 -11.311 -7.273
413 HG1 THR 56 HG1 THR 56 -7.515 -9.180 -7.224
414 HG21 THR 56 HG21 THR 56 -7.371 -10.967 -8.975
415 HG22 THR 56 HG22 THR 56 -7.634 -12.440 -8.009
416 HG23 THR 56 HG23 THR 56 -8.568 -10.966 -7.657
417 H ASP 57 H ASP 57 -5.437 -13.298 -4.879
418 HA ASP 57 HA ASP 57 -4.253 -12.296 -2.608
419 HB2 ASP 57 HB2 ASP 57 -3.151 -14.390 -4.541
420 HB3 ASP 57 HB3 ASP 57 -2.651 -14.191 -2.874
421 H ARG 58 H ARG 58 -2.221 -11.227 -2.257
422 HA ARG 58 HA ARG 58 -0.723 -9.722 -2.764
423 HB2 ARG 58 HB2 ARG 58 0.259 -11.628 -4.927
424 HB3 ARG 58 HB3 ARG 58 1.221 -10.617 -3.866
425 HG2 ARG 58 HG2 ARG 58 0.136 -12.037 -1.922
426 HG3 ARG 58 HG3 ARG 58 -0.267 -13.176 -3.191
427 HD2 ARG 58 HD2 ARG 58 2.043 -13.548 -3.751
428 HD3 ARG 58 HD3 ARG 58 2.572 -12.120 -2.884
429 HE ARG 58 HE ARG 58 2.626 -13.383 -0.923
430 HH11 ARG 58 HH22 ARG 58 0.509 -14.982 -3.235
431 HH12 ARG 58 HH21 ARG 58 0.255 -16.373 -2.233
432 HH21 ARG 58 HH12 ARG 58 2.291 -15.217 0.398
433 HH22 ARG 58 HH11 ARG 58 1.275 -16.507 -0.153
434 H CYS 59 H CYS 59 -3.144 -9.172 -4.163
435 HA CYS 59 HA CYS 59 -2.425 -8.612 -6.897
436 HB2 CYS 59 HB2 CYS 59 -4.692 -7.918 -7.189
437 HB3 CYS 59 HB3 CYS 59 -4.669 -9.443 -6.326
438 H ASN 60 H ASN 60 -2.483 -7.110 -3.715
439 HA ASN 60 HA ASN 60 -2.356 -4.470 -4.869
440 HB2 ASN 60 HB2 ASN 60 -2.466 -3.681 -2.532
441 HB3 ASN 60 HB3 ASN 60 -3.714 -4.884 -2.791
442 HD21 ASN 60 HD21 ASN 60 -2.121 -3.936 -0.413
443 HD22 ASN 60 HD22 ASN 60 -1.512 -5.370 0.345
444 H ASN 61 H ASN 61 -0.184 -6.022 -5.691
445 HA ASN 61 HA ASN 61 1.947 -6.106 -3.940
446 HB2 ASN 61 HB2 ASN 61 2.280 -5.648 -6.933
447 HB3 ASN 61 HB3 ASN 61 3.276 -6.628 -5.874
448 HD21 ASN 61 HD21 ASN 61 2.863 -8.716 -5.634
449 HD22 ASN 61 HD22 ASN 61 1.493 -9.569 -6.262
Start of MODEL 16
1 H1 LEU 1 H1 LEU 1 -5.513 -15.935 2.304
2 H2 LEU 1 H2 LEU 1 -7.114 -15.685 1.966
3 H3 LEU 1 H3 LEU 1 -6.359 -14.770 3.122
4 HA LEU 1 HA LEU 1 -5.567 -14.810 0.329
5 HB2 LEU 1 HB2 LEU 1 -7.808 -14.060 0.313
6 HB3 LEU 1 HB3 LEU 1 -7.575 -13.062 1.734
7 HG LEU 1 HG LEU 1 -5.861 -11.766 0.241
8 HD11 LEU 1 HD11 LEU 1 -5.742 -13.230 -1.640
9 HD12 LEU 1 HD12 LEU 1 -7.511 -13.225 -1.836
10 HD13 LEU 1 HD13 LEU 1 -6.574 -11.747 -2.163
11 HD21 LEU 1 HD21 LEU 1 -8.867 -11.606 0.120
12 HD22 LEU 1 HD22 LEU 1 -7.718 -10.597 1.031
13 HD23 LEU 1 HD23 LEU 1 -7.836 -10.435 -0.737
14 H GLU 2 H GLU 2 -3.736 -13.628 -0.097
15 HA GLU 2 HA GLU 2 -2.584 -12.335 2.246
16 HB2 GLU 2 HB2 GLU 2 -1.089 -13.276 -0.233
17 HB3 GLU 2 HB3 GLU 2 -0.400 -12.803 1.307
18 HG2 GLU 2 HG2 GLU 2 -1.493 -14.739 2.419
19 HG3 GLU 2 HG3 GLU 2 -2.260 -15.195 0.911
20 H CYS 3 H CYS 3 -1.661 -10.220 2.056
21 HA CYS 3 HA CYS 3 -2.101 -8.910 -0.512
22 HB2 CYS 3 HB2 CYS 3 -2.917 -7.636 2.100
23 HB3 CYS 3 HB3 CYS 3 -3.150 -7.008 0.481
24 H HIS 4 H HIS 4 -0.431 -7.447 -1.015
25 HA HIS 4 HA HIS 4 1.955 -7.705 0.393
26 HB2 HIS 4 HB2 HIS 4 0.955 -5.966 -1.832
27 HB3 HIS 4 HB3 HIS 4 2.480 -5.558 -1.071
28 HD1 HIS 4 HD1 HIS 4 4.515 -7.070 -1.551
29 HD2 HIS 4 HD2 HIS 4 0.945 -8.450 -3.266
30 HE1 HIS 4 HE1 HIS 4 5.172 -8.932 -3.167
31 HE2 HIS 4 HE2 HIS 4 2.932 -9.778 -4.149
32 H ASN 5 H ASN 5 3.162 -6.137 1.654
33 HA ASN 5 HA ASN 5 1.469 -4.055 2.775
34 HB2 ASN 5 HB2 ASN 5 2.163 -4.592 5.028
35 HB3 ASN 5 HB3 ASN 5 1.685 -6.116 4.307
36 HD21 ASN 5 HD21 ASN 5 2.973 -7.715 4.756
37 HD22 ASN 5 HD22 ASN 5 4.691 -7.663 4.970
38 H GLN 6 H GLN 6 3.875 -4.468 0.777
39 HA GLN 6 HA GLN 6 6.145 -3.440 2.008
40 HB2 GLN 6 HB2 GLN 6 7.097 -3.516 -0.108
41 HB3 GLN 6 HB3 GLN 6 5.754 -4.618 -0.338
42 HG2 GLN 6 HG2 GLN 6 4.394 -2.843 -1.359
43 HG3 GLN 6 HG3 GLN 6 5.608 -1.637 -0.983
44 HE21 GLN 6 HE21 GLN 6 5.716 -4.935 -2.330
45 HE22 GLN 6 HE22 GLN 6 6.593 -4.554 -3.774
46 H GLN 7 H GLN 7 6.910 -1.337 2.324
47 HA GLN 7 HA GLN 7 4.944 0.725 1.722
48 HB2 GLN 7 HB2 GLN 7 7.238 0.996 3.694
49 HB3 GLN 7 HB3 GLN 7 5.768 1.947 3.609
50 HG2 GLN 7 HG2 GLN 7 5.319 0.479 5.400
51 HG3 GLN 7 HG3 GLN 7 4.516 -0.310 4.057
52 HE21 GLN 7 HE21 GLN 7 4.855 -2.034 5.803
53 HE22 GLN 7 HE22 GLN 7 6.250 -3.047 5.635
54 H SER 8 H SER 8 5.567 2.648 0.637
55 HA SER 8 HA SER 8 6.627 3.695 -0.963
56 HB2 SER 8 HB2 SER 8 9.151 3.300 0.688
57 HB3 SER 8 HB3 SER 8 8.741 4.667 -0.328
58 HG SER 8 HG SER 8 7.447 3.896 2.145
59 H SER 9 H SER 9 9.806 3.156 -1.132
60 HA SER 9 HA SER 9 9.455 1.153 -3.175
61 HB2 SER 9 HB2 SER 9 11.463 1.949 -4.118
62 HB3 SER 9 HB3 SER 9 10.737 3.397 -3.449
63 HG SER 9 HG SER 9 13.151 2.282 -2.859
64 H GLN 10 H GLN 10 9.467 0.644 -0.134
65 HA GLN 10 HA GLN 10 11.904 -0.625 0.435
66 HB2 GLN 10 HB2 GLN 10 9.209 -1.149 1.756
67 HB3 GLN 10 HB3 GLN 10 10.795 -1.402 2.456
68 HG2 GLN 10 HG2 GLN 10 10.128 1.366 1.462
69 HG3 GLN 10 HG3 GLN 10 9.368 0.828 2.946
70 HE21 GLN 10 HE21 GLN 10 11.340 2.914 2.502
71 HE22 GLN 10 HE22 GLN 10 12.718 2.552 3.486
72 HA PRO 11 HA PRO 11 11.671 -4.725 -1.035
73 HB2 PRO 11 HB2 PRO 11 11.400 -5.690 1.789
74 HB3 PRO 11 HB3 PRO 11 12.612 -6.135 0.529
75 HG2 PRO 11 HG2 PRO 11 13.273 -4.525 2.521
76 HG3 PRO 11 HG3 PRO 11 13.805 -4.165 0.836
77 HD2 PRO 11 HD2 PRO 11 11.544 -2.987 2.423
78 HD3 PRO 11 HD3 PRO 11 12.765 -2.166 1.380
79 HA PRO 12 HA PRO 12 7.265 -5.439 -1.298
80 HB2 PRO 12 HB2 PRO 12 8.312 -7.914 -2.622
81 HB3 PRO 12 HB3 PRO 12 7.102 -6.714 -3.212
82 HG2 PRO 12 HG2 PRO 12 9.564 -6.728 -4.180
83 HG3 PRO 12 HG3 PRO 12 8.750 -5.173 -3.767
84 HD2 PRO 12 HD2 PRO 12 10.797 -6.733 -2.219
85 HD3 PRO 12 HD3 PRO 12 10.703 -4.961 -2.537
86 H THR 13 H THR 13 6.038 -6.325 0.391
87 HA THR 13 HA THR 13 6.828 -8.979 1.374
88 HB THR 13 HB THR 13 6.107 -7.933 3.690
89 HG1 THR 13 HG1 THR 13 6.603 -5.566 3.560
90 HG21 THR 13 HG21 THR 13 8.475 -8.503 3.307
91 HG22 THR 13 HG22 THR 13 8.678 -7.077 2.261
92 HG23 THR 13 HG23 THR 13 8.390 -6.868 4.005
93 H THR 14 H THR 14 4.958 -9.815 2.907
94 HA THR 14 HA THR 14 2.364 -8.973 1.872
95 HB THR 14 HB THR 14 1.953 -11.559 1.524
96 HG1 THR 14 HG1 THR 14 3.881 -12.709 1.483
97 HG21 THR 14 HG21 THR 14 3.123 -11.491 -0.763
98 HG22 THR 14 HG22 THR 14 1.995 -10.148 -0.464
99 HG23 THR 14 HG23 THR 14 3.749 -9.889 -0.306
100 H LYS 15 H LYS 15 0.550 -9.796 3.145
101 HA LYS 15 HA LYS 15 1.288 -10.952 5.699
102 HB2 LYS 15 HB2 LYS 15 1.521 -8.449 5.915
103 HB3 LYS 15 HB3 LYS 15 -0.194 -8.312 5.583
104 HG2 LYS 15 HG2 LYS 15 -0.806 -9.459 7.582
105 HG3 LYS 15 HG3 LYS 15 0.782 -10.176 7.771
106 HD2 LYS 15 HD2 LYS 15 0.545 -8.373 9.403
107 HD3 LYS 15 HD3 LYS 15 1.742 -7.895 8.215
108 HE2 LYS 15 HE2 LYS 15 0.273 -6.354 7.157
109 HE3 LYS 15 HE3 LYS 15 -1.162 -7.125 7.801
110 HZ1 LYS 15 HZ1 LYS 15 -1.056 -5.634 9.402
111 HZ2 LYS 15 HZ2 LYS 15 0.281 -6.371 9.982
112 HZ3 LYS 15 HZ3 LYS 15 0.425 -5.109 8.956
113 H THR 16 H THR 16 -0.512 -11.953 6.777
114 HA THR 16 HA THR 16 -2.531 -12.806 4.918
115 HB THR 16 HB THR 16 -2.383 -13.431 7.895
116 HG1 THR 16 HG1 THR 16 -0.586 -14.735 7.362
117 HG21 THR 16 HG21 THR 16 -4.079 -14.786 7.022
118 HG22 THR 16 HG22 THR 16 -3.400 -14.744 5.377
119 HG23 THR 16 HG23 THR 16 -2.673 -15.798 6.613
120 H CYS 17 H CYS 17 -4.618 -12.188 4.730
121 HA CYS 17 HA CYS 17 -5.347 -9.830 6.209
122 HB2 CYS 17 HB2 CYS 17 -7.096 -11.242 4.211
123 HB3 CYS 17 HB3 CYS 17 -7.087 -9.549 4.665
124 H SER 18 H SER 18 -6.527 -9.921 8.092
125 HA SER 18 HA SER 18 -7.793 -12.467 8.683
126 HB2 SER 18 HB2 SER 18 -6.796 -10.181 10.416
127 HB3 SER 18 HB3 SER 18 -7.891 -11.387 11.062
128 HG SER 18 HG SER 18 -6.338 -12.915 11.002
129 H GLY 19 H GLY 19 -9.983 -12.577 8.368
130 HA2 GLY 19 HA2 GLY 19 -12.167 -11.987 8.522
131 HA3 GLY 19 HA3 GLY 19 -11.711 -10.485 9.302
132 H GLU 20 H GLU 20 -9.706 -10.363 6.741
133 HA GLU 20 HA GLU 20 -11.707 -8.971 5.155
134 HB2 GLU 20 HB2 GLU 20 -8.702 -8.672 4.856
135 HB3 GLU 20 HB3 GLU 20 -9.956 -7.554 4.358
136 HG2 GLU 20 HG2 GLU 20 -10.496 -7.007 6.678
137 HG3 GLU 20 HG3 GLU 20 -9.461 -8.287 7.279
138 H THR 21 H THR 21 -11.418 -9.054 2.721
139 HA THR 21 HA THR 21 -10.062 -11.481 1.811
140 HB THR 21 HB THR 21 -12.253 -11.934 0.471
141 HG1 THR 21 HG1 THR 21 -13.466 -10.570 2.696
142 HG21 THR 21 HG21 THR 21 -12.231 -12.141 3.527
143 HG22 THR 21 HG22 THR 21 -13.454 -12.915 2.491
144 HG23 THR 21 HG23 THR 21 -11.747 -13.407 2.373
145 H ASN 22 H ASN 22 -9.880 -8.363 1.695
146 HA ASN 22 HA ASN 22 -9.533 -8.372 -1.192
147 HB2 ASN 22 HB2 ASN 22 -10.649 -6.076 0.505
148 HB3 ASN 22 HB3 ASN 22 -10.234 -5.934 -1.192
149 HD21 ASN 22 HD21 ASN 22 -12.337 -7.478 1.152
150 HD22 ASN 22 HD22 ASN 22 -13.623 -7.912 0.076
151 H CYS 23 H CYS 23 -7.801 -6.791 -1.889
152 HA CYS 23 HA CYS 23 -5.992 -6.187 0.337
153 HB2 CYS 23 HB2 CYS 23 -5.208 -6.792 -2.520
154 HB3 CYS 23 HB3 CYS 23 -4.129 -6.504 -1.170
155 H TYR 24 H TYR 24 -5.209 -4.053 0.449
156 HA TYR 24 HA TYR 24 -6.213 -2.250 -1.650
157 HB2 TYR 24 HB2 TYR 24 -6.606 -0.698 0.165
158 HB3 TYR 24 HB3 TYR 24 -7.092 -2.238 0.844
159 HD1 TYR 24 HD1 TYR 24 -4.537 0.408 0.895
160 HD2 TYR 24 HD2 TYR 24 -5.765 -3.325 2.585
161 HE1 TYR 24 HE1 TYR 24 -2.895 0.727 2.810
162 HE2 TYR 24 HE2 TYR 24 -4.120 -2.994 4.495
163 HH TYR 24 HH TYR 24 -2.644 -0.018 5.105
164 H LYS 25 H LYS 25 -4.867 -0.402 -2.199
165 HA LYS 25 HA LYS 25 -2.118 -0.565 -1.248
166 HB2 LYS 25 HB2 LYS 25 -1.923 -1.918 -3.168
167 HB3 LYS 25 HB3 LYS 25 -3.003 -0.911 -4.111
168 HG2 LYS 25 HG2 LYS 25 -1.381 0.856 -4.296
169 HG3 LYS 25 HG3 LYS 25 -0.389 0.193 -3.012
170 HD2 LYS 25 HD2 LYS 25 0.709 -0.353 -5.094
171 HD3 LYS 25 HD3 LYS 25 0.034 -1.846 -4.472
172 HE2 LYS 25 HE2 LYS 25 -1.637 -0.169 -6.358
173 HE3 LYS 25 HE3 LYS 25 -0.338 -1.140 -7.021
174 HZ1 LYS 25 HZ1 LYS 25 -1.828 -2.637 -5.173
175 HZ2 LYS 25 HZ2 LYS 25 -2.826 -2.002 -6.299
176 HZ3 LYS 25 HZ3 LYS 25 -1.564 -2.932 -6.758
177 H LYS 26 H LYS 26 -1.648 1.412 -0.468
178 HA LYS 26 HA LYS 26 -2.974 3.687 -1.767
179 HB2 LYS 26 HB2 LYS 26 -3.662 3.387 0.545
180 HB3 LYS 26 HB3 LYS 26 -1.995 3.342 1.081
181 HG2 LYS 26 HG2 LYS 26 -1.662 5.676 0.229
182 HG3 LYS 26 HG3 LYS 26 -3.334 5.720 -0.294
183 HD2 LYS 26 HD2 LYS 26 -2.609 6.689 2.093
184 HD3 LYS 26 HD3 LYS 26 -4.162 5.910 1.867
185 HE2 LYS 26 HE2 LYS 26 -3.327 3.800 2.763
186 HE3 LYS 26 HE3 LYS 26 -1.675 4.383 2.757
187 HZ1 LYS 26 HZ1 LYS 26 -3.788 4.945 4.614
188 HZ2 LYS 26 HZ2 LYS 26 -2.174 4.881 4.858
189 HZ3 LYS 26 HZ3 LYS 26 -2.853 6.229 4.233
190 H TRP 27 H TRP 27 -1.739 5.471 -2.430
191 HA TRP 27 HA TRP 27 1.065 5.550 -1.849
192 HB2 TRP 27 HB2 TRP 27 1.914 5.243 -4.041
193 HB3 TRP 27 HB3 TRP 27 0.973 3.826 -3.621
194 HD1 TRP 27 HD1 TRP 27 1.042 6.700 -6.131
195 HE1 TRP 27 HE1 TRP 27 -0.769 6.390 -8.026
196 HE3 TRP 27 HE3 TRP 27 -1.362 2.801 -3.924
197 HZ2 TRP 27 HZ2 TRP 27 -2.954 4.589 -8.381
198 HZ3 TRP 27 HZ3 TRP 27 -3.325 1.824 -5.112
199 HH2 TRP 27 HH2 TRP 27 -4.128 2.656 -7.265
200 H TRP 28 H TRP 28 1.881 7.666 -2.270
201 HA TRP 28 HA TRP 28 0.325 9.504 -3.820
202 HB2 TRP 28 HB2 TRP 28 -0.242 11.036 -2.063
203 HB3 TRP 28 HB3 TRP 28 -0.993 9.481 -1.764
204 HD1 TRP 28 HD1 TRP 28 1.359 11.964 -0.153
205 HE1 TRP 28 HE1 TRP 28 2.164 11.180 2.234
206 HE3 TRP 28 HE3 TRP 28 -0.415 7.215 -0.538
207 HZ2 TRP 28 HZ2 TRP 28 1.972 8.717 3.662
208 HZ3 TRP 28 HZ3 TRP 28 -0.064 5.684 1.398
209 HH2 TRP 28 HH2 TRP 28 1.083 6.367 3.445
210 H SER 29 H SER 29 1.457 11.791 -3.558
211 HA SER 29 HA SER 29 4.301 11.205 -3.434
212 HB2 SER 29 HB2 SER 29 4.599 13.179 -4.871
213 HB3 SER 29 HB3 SER 29 3.446 12.073 -5.591
214 HG SER 29 HG SER 29 2.987 14.618 -4.359
215 H ASP 30 H ASP 30 5.751 12.848 -2.433
216 HA ASP 30 HA ASP 30 4.398 14.738 -0.727
217 HB2 ASP 30 HB2 ASP 30 4.718 12.580 0.577
218 HB3 ASP 30 HB3 ASP 30 6.446 12.736 0.334
219 H HIS 31 H HIS 31 6.200 16.172 0.406
220 HA HIS 31 HA HIS 31 7.967 17.034 -1.605
221 HB2 HIS 31 HB2 HIS 31 7.023 18.625 -0.097
222 HB3 HIS 31 HB3 HIS 31 7.614 17.760 1.308
223 HD1 HIS 31 HD1 HIS 31 8.428 20.559 -0.833
224 HD2 HIS 31 HD2 HIS 31 10.633 17.750 1.369
225 HE1 HIS 31 HE1 HIS 31 10.763 21.547 -0.550
226 HE2 HIS 31 HE2 HIS 31 12.056 19.802 0.857
227 H ARG 32 H ARG 32 8.102 14.412 0.561
228 HA ARG 32 HA ARG 32 10.996 14.538 0.661
229 HB2 ARG 32 HB2 ARG 32 9.784 14.099 2.804
230 HB3 ARG 32 HB3 ARG 32 9.026 12.686 2.098
231 HG2 ARG 32 HG2 ARG 32 10.925 11.929 3.414
232 HG3 ARG 32 HG3 ARG 32 11.317 11.687 1.723
233 HD2 ARG 32 HD2 ARG 32 12.569 13.883 1.731
234 HD3 ARG 32 HD3 ARG 32 12.230 14.045 3.443
235 HE ARG 32 HE ARG 32 13.385 11.548 3.311
236 HH11 ARG 32 HH22 ARG 32 14.359 14.702 2.093
237 HH12 ARG 32 HH21 ARG 32 16.054 14.364 2.203
238 HH21 ARG 32 HH12 ARG 32 15.621 11.101 3.457
239 HH22 ARG 32 HH11 ARG 32 16.777 12.301 2.984
240 H GLY 33 H GLY 33 8.224 12.843 -0.742
241 HA2 GLY 33 HA2 GLY 33 9.365 11.745 -2.892
242 HA3 GLY 33 HA3 GLY 33 9.803 10.582 -1.657
243 H THR 34 H THR 34 8.354 9.302 -3.334
244 HA THR 34 HA THR 34 5.516 9.714 -2.902
245 HB THR 34 HB THR 34 7.245 7.880 -4.625
246 HG1 THR 34 HG1 THR 34 6.067 9.229 -6.212
247 HG21 THR 34 HG21 THR 34 4.723 7.629 -5.651
248 HG22 THR 34 HG22 THR 34 5.426 6.433 -4.536
249 HG23 THR 34 HG23 THR 34 4.332 7.693 -3.915
250 H ILE 35 H ILE 35 4.523 8.993 -1.134
251 HA ILE 35 HA ILE 35 5.734 6.777 0.298
252 HB ILE 35 HB ILE 35 3.397 8.553 1.010
253 HG12 ILE 35 HG12 ILE 35 6.351 8.767 1.610
254 HG13 ILE 35 HG13 ILE 35 5.307 9.955 0.856
255 HG21 ILE 35 HG21 ILE 35 5.015 6.679 2.757
256 HG22 ILE 35 HG22 ILE 35 3.640 7.695 3.256
257 HG23 ILE 35 HG23 ILE 35 3.385 6.345 2.124
258 HD11 ILE 35 HD11 ILE 35 4.022 10.197 2.975
259 HD12 ILE 35 HD12 ILE 35 5.077 8.985 3.743
260 HD13 ILE 35 HD13 ILE 35 5.751 10.547 3.218
261 H ILE 36 H ILE 36 4.914 4.721 0.385
262 HA ILE 36 HA ILE 36 2.304 4.319 -0.891
263 HB ILE 36 HB ILE 36 4.642 2.463 -1.278
264 HG12 ILE 36 HG12 ILE 36 3.773 4.742 -3.080
265 HG13 ILE 36 HG13 ILE 36 5.282 4.637 -2.196
266 HG21 ILE 36 HG21 ILE 36 2.528 2.604 -3.302
267 HG22 ILE 36 HG22 ILE 36 3.256 1.197 -2.490
268 HG23 ILE 36 HG23 ILE 36 1.947 2.105 -1.696
269 HD11 ILE 36 HD11 ILE 36 5.514 3.953 -4.598
270 HD12 ILE 36 HD12 ILE 36 5.958 2.648 -3.472
271 HD13 ILE 36 HD13 ILE 36 4.382 2.613 -4.298
272 H GLU 37 H GLU 37 0.899 3.274 0.414
273 HA GLU 37 HA GLU 37 2.077 1.561 2.454
274 HB2 GLU 37 HB2 GLU 37 1.469 3.267 3.879
275 HB3 GLU 37 HB3 GLU 37 0.252 3.899 2.788
276 HG2 GLU 37 HG2 GLU 37 -0.824 2.935 4.787
277 HG3 GLU 37 HG3 GLU 37 -1.272 2.018 3.362
278 H ARG 38 H ARG 38 1.396 -0.501 2.082
279 HA ARG 38 HA ARG 38 -1.332 -0.773 1.101
280 HB2 ARG 38 HB2 ARG 38 0.861 -2.798 0.509
281 HB3 ARG 38 HB3 ARG 38 -0.667 -2.587 -0.323
282 HG2 ARG 38 HG2 ARG 38 0.256 -0.179 -0.900
283 HG3 ARG 38 HG3 ARG 38 1.819 -0.853 -0.479
284 HD2 ARG 38 HD2 ARG 38 -0.057 -2.159 -2.505
285 HD3 ARG 38 HD3 ARG 38 1.183 -1.007 -2.960
286 HE ARG 38 HE ARG 38 2.018 -3.382 -1.368
287 HH11 ARG 38 HH22 ARG 38 1.972 -1.685 -4.450
288 HH12 ARG 38 HH21 ARG 38 3.231 -2.650 -5.145
289 HH21 ARG 38 HH12 ARG 38 3.679 -4.655 -2.284
290 HH22 ARG 38 HH11 ARG 38 4.209 -4.351 -3.905
291 H GLY 39 H GLY 39 -2.343 -2.960 1.693
292 HA2 GLY 39 HA2 GLY 39 -1.175 -4.631 3.646
293 HA3 GLY 39 HA3 GLY 39 -2.183 -3.435 4.436
294 H CYS 40 H CYS 40 -3.327 -5.607 5.002
295 HA CYS 40 HA CYS 40 -4.887 -6.690 2.845
296 HB2 CYS 40 HB2 CYS 40 -4.534 -7.340 5.753
297 HB3 CYS 40 HB3 CYS 40 -5.913 -7.976 4.879
298 H GLY 41 H GLY 41 -7.270 -6.628 2.838
299 HA2 GLY 41 HA2 GLY 41 -9.322 -5.831 3.602
300 HA3 GLY 41 HA3 GLY 41 -8.510 -4.644 4.603
301 H CYS 42 H CYS 42 -10.200 -3.191 3.542
302 HA CYS 42 HA CYS 42 -8.947 -1.958 1.242
303 HB2 CYS 42 HB2 CYS 42 -10.493 -3.423 0.153
304 HB3 CYS 42 HB3 CYS 42 -11.793 -2.968 1.236
305 HA PRO 43 HA PRO 43 -10.377 0.821 4.677
306 HB2 PRO 43 HB2 PRO 43 -8.047 2.253 4.708
307 HB3 PRO 43 HB3 PRO 43 -8.225 0.683 5.577
308 HG2 PRO 43 HG2 PRO 43 -7.042 1.244 2.877
309 HG3 PRO 43 HG3 PRO 43 -6.385 0.249 4.230
310 HD2 PRO 43 HD2 PRO 43 -7.663 -0.846 2.134
311 HD3 PRO 43 HD3 PRO 43 -7.831 -1.491 3.810
312 H LYS 44 H LYS 44 -10.089 3.414 4.657
313 HA LYS 44 HA LYS 44 -10.592 4.229 1.879
314 HB2 LYS 44 HB2 LYS 44 -11.933 4.992 4.466
315 HB3 LYS 44 HB3 LYS 44 -11.958 6.084 3.096
316 HG2 LYS 44 HG2 LYS 44 -12.739 3.167 2.751
317 HG3 LYS 44 HG3 LYS 44 -13.900 4.329 3.362
318 HD2 LYS 44 HD2 LYS 44 -12.347 4.808 0.784
319 HD3 LYS 44 HD3 LYS 44 -13.865 3.932 0.801
320 HE2 LYS 44 HE2 LYS 44 -14.661 6.089 0.425
321 HE3 LYS 44 HE3 LYS 44 -14.729 6.053 2.175
322 HZ1 LYS 44 HZ1 LYS 44 -13.095 7.530 2.312
323 HZ2 LYS 44 HZ2 LYS 44 -12.191 6.846 1.136
324 HZ3 LYS 44 HZ3 LYS 44 -13.404 7.867 0.744
325 H VAL 45 H VAL 45 -9.556 6.068 1.091
326 HA VAL 45 HA VAL 45 -7.548 7.183 2.924
327 HB VAL 45 HB VAL 45 -6.134 7.512 1.014
328 HG11 VAL 45 HG11 VAL 45 -5.681 5.184 0.383
329 HG12 VAL 45 HG12 VAL 45 -6.041 5.320 2.121
330 HG13 VAL 45 HG13 VAL 45 -7.277 4.698 1.002
331 HG21 VAL 45 HG21 VAL 45 -6.933 6.406 -1.214
332 HG22 VAL 45 HG22 VAL 45 -8.564 6.661 -0.547
333 HG23 VAL 45 HG23 VAL 45 -7.480 8.050 -0.803
334 H LYS 46 H LYS 46 -6.932 9.502 2.389
335 HA LYS 46 HA LYS 46 -9.391 10.978 2.030
336 HB2 LYS 46 HB2 LYS 46 -6.684 12.174 2.597
337 HB3 LYS 46 HB3 LYS 46 -8.271 12.787 3.020
338 HG2 LYS 46 HG2 LYS 46 -8.569 10.742 4.525
339 HG3 LYS 46 HG3 LYS 46 -6.896 10.333 4.205
340 HD2 LYS 46 HD2 LYS 46 -7.699 13.067 5.281
341 HD3 LYS 46 HD3 LYS 46 -7.393 11.711 6.347
342 HE2 LYS 46 HE2 LYS 46 -5.118 11.478 5.045
343 HE3 LYS 46 HE3 LYS 46 -5.444 13.104 4.476
344 HZ1 LYS 46 HZ1 LYS 46 -5.787 13.635 6.907
345 HZ2 LYS 46 HZ2 LYS 46 -5.058 12.211 7.232
346 HZ3 LYS 46 HZ3 LYS 46 -4.252 13.373 6.418
347 HA PRO 47 HA PRO 47 -8.979 12.579 -1.977
348 HB2 PRO 47 HB2 PRO 47 -8.525 15.295 -0.797
349 HB3 PRO 47 HB3 PRO 47 -9.763 14.747 -1.989
350 HG2 PRO 47 HG2 PRO 47 -10.428 15.196 0.532
351 HG3 PRO 47 HG3 PRO 47 -11.056 13.747 -0.338
352 HD2 PRO 47 HD2 PRO 47 -8.800 13.971 1.632
353 HD3 PRO 47 HD3 PRO 47 -10.113 12.739 1.525
354 H GLY 48 H GLY 48 -7.234 12.674 -3.450
355 HA2 GLY 48 HA2 GLY 48 -5.242 13.665 -4.225
356 HA3 GLY 48 HA3 GLY 48 -4.762 14.009 -2.575
357 H VAL 49 H VAL 49 -5.506 11.360 -1.476
358 HA VAL 49 HA VAL 49 -3.103 9.988 -2.248
359 HB VAL 49 HB VAL 49 -5.223 9.004 -0.352
360 HG11 VAL 49 HG11 VAL 49 -2.206 8.779 -0.181
361 HG12 VAL 49 HG12 VAL 49 -3.431 7.874 0.739
362 HG13 VAL 49 HG13 VAL 49 -3.230 7.579 -1.005
363 HG21 VAL 49 HG21 VAL 49 -3.650 11.463 -0.144
364 HG22 VAL 49 HG22 VAL 49 -5.027 10.897 0.832
365 HG23 VAL 49 HG23 VAL 49 -3.377 10.354 1.221
366 H ASN 50 H ASN 50 -2.990 7.838 -3.116
367 HA ASN 50 HA ASN 50 -5.312 7.274 -4.755
368 HB2 ASN 50 HB2 ASN 50 -2.370 6.489 -4.892
369 HB3 ASN 50 HB3 ASN 50 -3.562 5.615 -5.833
370 HD21 ASN 50 HD21 ASN 50 -1.710 8.470 -5.485
371 HD22 ASN 50 HD22 ASN 50 -2.236 9.319 -6.901
372 H LEU 51 H LEU 51 -6.306 5.151 -4.692
373 HA LEU 51 HA LEU 51 -5.176 3.208 -2.855
374 HB2 LEU 51 HB2 LEU 51 -6.520 4.458 -1.357
375 HB3 LEU 51 HB3 LEU 51 -7.856 4.532 -2.489
376 HG LEU 51 HG LEU 51 -8.277 2.146 -2.222
377 HD11 LEU 51 HD11 LEU 51 -5.625 2.187 -0.983
378 HD12 LEU 51 HD12 LEU 51 -6.834 1.283 -0.040
379 HD13 LEU 51 HD13 LEU 51 -6.525 0.850 -1.738
380 HD21 LEU 51 HD21 LEU 51 -9.585 2.613 -0.492
381 HD22 LEU 51 HD22 LEU 51 -8.192 2.675 0.615
382 HD23 LEU 51 HD23 LEU 51 -8.683 4.133 -0.280
383 H ASN 52 H ASN 52 -5.634 1.087 -3.451
384 HA ASN 52 HA ASN 52 -7.546 0.790 -5.614
385 HB2 ASN 52 HB2 ASN 52 -5.445 0.849 -6.809
386 HB3 ASN 52 HB3 ASN 52 -4.630 -0.106 -5.587
387 HD21 ASN 52 HD21 ASN 52 -7.092 -0.146 -8.104
388 HD22 ASN 52 HD22 ASN 52 -7.034 -1.839 -8.465
389 H CYS 53 H CYS 53 -8.957 -0.859 -5.007
390 HA CYS 53 HA CYS 53 -7.927 -2.817 -3.088
391 HB2 CYS 53 HB2 CYS 53 -10.780 -1.917 -3.542
392 HB3 CYS 53 HB3 CYS 53 -10.267 -3.147 -2.403
393 H CYS 54 H CYS 54 -8.357 -5.064 -3.519
394 HA CYS 54 HA CYS 54 -9.807 -5.711 -5.922
395 HB2 CYS 54 HB2 CYS 54 -7.784 -7.185 -6.631
396 HB3 CYS 54 HB3 CYS 54 -7.877 -5.503 -7.114
397 H ARG 55 H ARG 55 -9.990 -8.197 -6.077
398 HA ARG 55 HA ARG 55 -9.883 -9.250 -3.366
399 HB2 ARG 55 HB2 ARG 55 -11.744 -9.957 -5.691
400 HB3 ARG 55 HB3 ARG 55 -11.734 -10.811 -4.161
401 HG2 ARG 55 HG2 ARG 55 -12.688 -9.032 -2.990
402 HG3 ARG 55 HG3 ARG 55 -11.984 -7.817 -4.038
403 HD2 ARG 55 HD2 ARG 55 -14.342 -7.821 -4.528
404 HD3 ARG 55 HD3 ARG 55 -13.573 -8.619 -5.885
405 HE ARG 55 HE ARG 55 -14.248 -10.597 -3.922
406 HH11 ARG 55 HH22 ARG 55 -15.788 -8.450 -6.246
407 HH12 ARG 55 HH21 ARG 55 -17.168 -9.472 -6.470
408 HH21 ARG 55 HH12 ARG 55 -16.068 -11.947 -4.217
409 HH22 ARG 55 HH11 ARG 55 -17.328 -11.475 -5.308
410 H THR 56 H THR 56 -7.511 -9.386 -4.792
411 HA THR 56 HA THR 56 -7.379 -12.244 -5.445
412 HB THR 56 HB THR 56 -5.628 -11.339 -7.242
413 HG1 THR 56 HG1 THR 56 -6.589 -9.197 -7.967
414 HG21 THR 56 HG21 THR 56 -7.481 -11.000 -8.922
415 HG22 THR 56 HG22 THR 56 -7.712 -12.476 -7.955
416 HG23 THR 56 HG23 THR 56 -8.656 -11.013 -7.585
417 H ASP 57 H ASP 57 -5.486 -13.304 -4.836
418 HA ASP 57 HA ASP 57 -4.277 -12.287 -2.586
419 HB2 ASP 57 HB2 ASP 57 -3.227 -14.398 -4.530
420 HB3 ASP 57 HB3 ASP 57 -2.650 -14.172 -2.891
421 H ARG 58 H ARG 58 -2.230 -11.229 -2.263
422 HA ARG 58 HA ARG 58 -0.747 -9.717 -2.795
423 HB2 ARG 58 HB2 ARG 58 0.214 -11.627 -4.964
424 HB3 ARG 58 HB3 ARG 58 1.185 -10.614 -3.914
425 HG2 ARG 58 HG2 ARG 58 0.119 -12.033 -1.957
426 HG3 ARG 58 HG3 ARG 58 -0.292 -13.174 -3.222
427 HD2 ARG 58 HD2 ARG 58 2.002 -13.573 -3.781
428 HD3 ARG 58 HD3 ARG 58 2.547 -12.113 -2.980
429 HE ARG 58 HE ARG 58 1.241 -13.994 -1.155
430 HH11 ARG 58 HH22 ARG 58 4.285 -13.119 -2.688
431 HH12 ARG 58 HH21 ARG 58 5.261 -13.879 -1.475
432 HH21 ARG 58 HH12 ARG 58 2.528 -14.995 0.445
433 HH22 ARG 58 HH11 ARG 58 4.255 -14.953 0.319
434 H CYS 59 H CYS 59 -3.197 -9.204 -4.182
435 HA CYS 59 HA CYS 59 -2.510 -8.648 -6.921
436 HB2 CYS 59 HB2 CYS 59 -4.779 -7.966 -7.191
437 HB3 CYS 59 HB3 CYS 59 -4.746 -9.476 -6.304
438 H ASN 60 H ASN 60 -2.531 -7.123 -3.748
439 HA ASN 60 HA ASN 60 -2.436 -4.490 -4.912
440 HB2 ASN 60 HB2 ASN 60 -2.454 -3.704 -2.560
441 HB3 ASN 60 HB3 ASN 60 -3.733 -4.877 -2.804
442 HD21 ASN 60 HD21 ASN 60 -2.127 -4.004 -0.433
443 HD22 ASN 60 HD22 ASN 60 -1.513 -5.453 0.290
444 H ASN 61 H ASN 61 -0.279 -6.174 -5.708
445 HA ASN 61 HA ASN 61 1.898 -5.533 -3.925
446 HB2 ASN 61 HB2 ASN 61 3.097 -7.239 -5.013
447 HB3 ASN 61 HB3 ASN 61 1.458 -7.817 -5.238
448 HD21 ASN 61 HD21 ASN 61 4.338 -6.936 -6.713
449 HD22 ASN 61 HD22 ASN 61 3.836 -6.891 -8.370
Start of MODEL 17
1 H1 LEU 1 H1 LEU 1 -5.776 -15.065 2.974
2 H2 LEU 1 H2 LEU 1 -5.976 -16.179 1.765
3 H3 LEU 1 H3 LEU 1 -7.247 -15.226 2.231
4 HA LEU 1 HA LEU 1 -5.529 -14.793 0.217
5 HB2 LEU 1 HB2 LEU 1 -7.768 -14.036 0.178
6 HB3 LEU 1 HB3 LEU 1 -7.556 -13.067 1.623
7 HG LEU 1 HG LEU 1 -5.814 -11.747 0.188
8 HD11 LEU 1 HD11 LEU 1 -6.461 -11.680 -2.226
9 HD12 LEU 1 HD12 LEU 1 -5.668 -13.189 -1.715
10 HD13 LEU 1 HD13 LEU 1 -7.432 -13.147 -1.954
11 HD21 LEU 1 HD21 LEU 1 -7.832 -10.452 -0.854
12 HD22 LEU 1 HD22 LEU 1 -8.808 -11.585 0.112
13 HD23 LEU 1 HD23 LEU 1 -7.626 -10.522 0.913
14 H GLU 2 H GLU 2 -3.708 -13.568 -0.163
15 HA GLU 2 HA GLU 2 -2.595 -12.334 2.232
16 HB2 GLU 2 HB2 GLU 2 -1.115 -13.361 -0.229
17 HB3 GLU 2 HB3 GLU 2 -0.374 -12.731 1.229
18 HG2 GLU 2 HG2 GLU 2 -0.298 -15.104 1.488
19 HG3 GLU 2 HG3 GLU 2 -1.618 -14.586 2.518
20 H CYS 3 H CYS 3 -1.660 -10.221 2.090
21 HA CYS 3 HA CYS 3 -2.023 -8.879 -0.472
22 HB2 CYS 3 HB2 CYS 3 -2.903 -7.597 2.112
23 HB3 CYS 3 HB3 CYS 3 -3.132 -7.008 0.478
24 H HIS 4 H HIS 4 -0.350 -7.388 -0.895
25 HA HIS 4 HA HIS 4 2.001 -7.676 0.555
26 HB2 HIS 4 HB2 HIS 4 1.039 -5.837 -1.610
27 HB3 HIS 4 HB3 HIS 4 2.560 -5.484 -0.813
28 HD1 HIS 4 HD1 HIS 4 4.586 -6.977 -1.361
29 HD2 HIS 4 HD2 HIS 4 1.013 -8.276 -3.134
30 HE1 HIS 4 HE1 HIS 4 5.238 -8.777 -3.047
31 HE2 HIS 4 HE2 HIS 4 2.997 -9.575 -4.065
32 H ASN 5 H ASN 5 3.135 -6.241 1.978
33 HA ASN 5 HA ASN 5 1.423 -4.179 3.117
34 HB2 ASN 5 HB2 ASN 5 1.971 -4.842 5.347
35 HB3 ASN 5 HB3 ASN 5 1.674 -6.362 4.528
36 HD21 ASN 5 HD21 ASN 5 3.647 -4.870 6.616
37 HD22 ASN 5 HD22 ASN 5 5.133 -5.731 6.387
38 H GLN 6 H GLN 6 3.899 -4.523 1.175
39 HA GLN 6 HA GLN 6 6.041 -3.366 2.617
40 HB2 GLN 6 HB2 GLN 6 7.006 -3.105 0.240
41 HB3 GLN 6 HB3 GLN 6 6.675 -4.736 0.788
42 HG2 GLN 6 HG2 GLN 6 4.857 -5.009 -0.646
43 HG3 GLN 6 HG3 GLN 6 4.433 -3.309 -0.615
44 HE21 GLN 6 HE21 GLN 6 5.491 -5.671 -2.538
45 HE22 GLN 6 HE22 GLN 6 6.435 -4.802 -3.702
46 H GLN 7 H GLN 7 6.853 -1.202 2.492
47 HA GLN 7 HA GLN 7 4.818 0.670 1.582
48 HB2 GLN 7 HB2 GLN 7 5.138 1.115 3.858
49 HB3 GLN 7 HB3 GLN 7 6.843 0.710 3.813
50 HG2 GLN 7 HG2 GLN 7 7.297 2.786 2.484
51 HG3 GLN 7 HG3 GLN 7 5.593 3.191 2.538
52 HE21 GLN 7 HE21 GLN 7 6.536 5.161 3.494
53 HE22 GLN 7 HE22 GLN 7 6.767 5.236 5.209
54 H SER 8 H SER 8 5.638 2.776 0.637
55 HA SER 8 HA SER 8 6.590 3.568 -1.200
56 HB2 SER 8 HB2 SER 8 9.138 3.168 0.422
57 HB3 SER 8 HB3 SER 8 8.817 4.437 -0.743
58 HG SER 8 HG SER 8 7.729 5.567 0.732
59 H SER 9 H SER 9 9.765 2.785 -1.347
60 HA SER 9 HA SER 9 9.231 0.730 -3.301
61 HB2 SER 9 HB2 SER 9 11.835 2.200 -2.699
62 HB3 SER 9 HB3 SER 9 11.520 1.186 -4.093
63 HG SER 9 HG SER 9 11.291 3.565 -4.427
64 H GLN 10 H GLN 10 9.789 0.825 -0.038
65 HA GLN 10 HA GLN 10 11.918 -0.675 0.554
66 HB2 GLN 10 HB2 GLN 10 9.185 -1.166 1.802
67 HB3 GLN 10 HB3 GLN 10 10.749 -1.354 2.568
68 HG2 GLN 10 HG2 GLN 10 10.983 1.246 1.842
69 HG3 GLN 10 HG3 GLN 10 9.235 1.166 1.928
70 HE21 GLN 10 HE21 GLN 10 10.744 2.752 3.604
71 HE22 GLN 10 HE22 GLN 10 10.633 2.185 5.237
72 HA PRO 11 HA PRO 11 11.738 -4.827 -0.769
73 HB2 PRO 11 HB2 PRO 11 11.393 -5.682 2.082
74 HB3 PRO 11 HB3 PRO 11 12.640 -6.171 0.874
75 HG2 PRO 11 HG2 PRO 11 13.241 -4.481 2.819
76 HG3 PRO 11 HG3 PRO 11 13.818 -4.185 1.136
77 HD2 PRO 11 HD2 PRO 11 11.511 -2.955 2.613
78 HD3 PRO 11 HD3 PRO 11 12.758 -2.171 1.573
79 HA PRO 12 HA PRO 12 7.326 -5.514 -1.106
80 HB2 PRO 12 HB2 PRO 12 8.397 -7.986 -2.417
81 HB3 PRO 12 HB3 PRO 12 7.192 -6.789 -3.023
82 HG2 PRO 12 HG2 PRO 12 9.667 -6.795 -3.956
83 HG3 PRO 12 HG3 PRO 12 8.843 -5.242 -3.553
84 HD2 PRO 12 HD2 PRO 12 10.873 -6.799 -1.979
85 HD3 PRO 12 HD3 PRO 12 10.779 -5.026 -2.296
86 H THR 13 H THR 13 6.035 -6.446 0.512
87 HA THR 13 HA THR 13 6.835 -9.084 1.522
88 HB THR 13 HB THR 13 6.072 -8.051 3.828
89 HG1 THR 13 HG1 THR 13 5.347 -6.059 2.660
90 HG21 THR 13 HG21 THR 13 8.660 -7.175 2.444
91 HG22 THR 13 HG22 THR 13 8.342 -6.970 4.184
92 HG23 THR 13 HG23 THR 13 8.449 -8.604 3.485
93 H THR 14 H THR 14 4.938 -9.921 3.029
94 HA THR 14 HA THR 14 2.355 -9.074 1.988
95 HB THR 14 HB THR 14 1.954 -11.642 1.527
96 HG1 THR 14 HG1 THR 14 4.389 -12.178 0.681
97 HG21 THR 14 HG21 THR 14 2.019 -10.114 -0.387
98 HG22 THR 14 HG22 THR 14 3.781 -9.922 -0.226
99 HG23 THR 14 HG23 THR 14 3.101 -11.480 -0.751
100 H LYS 15 H LYS 15 0.537 -9.971 3.213
101 HA LYS 15 HA LYS 15 1.253 -11.249 5.708
102 HB2 LYS 15 HB2 LYS 15 0.281 -9.552 7.121
103 HB3 LYS 15 HB3 LYS 15 1.575 -8.846 6.173
104 HG2 LYS 15 HG2 LYS 15 0.009 -7.795 4.645
105 HG3 LYS 15 HG3 LYS 15 -1.339 -8.714 5.286
106 HD2 LYS 15 HD2 LYS 15 -0.976 -6.219 6.074
107 HD3 LYS 15 HD3 LYS 15 -1.481 -7.426 7.239
108 HE2 LYS 15 HE2 LYS 15 0.753 -7.661 8.125
109 HE3 LYS 15 HE3 LYS 15 1.464 -6.809 6.770
110 HZ1 LYS 15 HZ1 LYS 15 0.009 -5.735 9.031
111 HZ2 LYS 15 HZ2 LYS 15 1.352 -5.167 8.296
112 HZ3 LYS 15 HZ3 LYS 15 -0.113 -4.938 7.611
113 H THR 16 H THR 16 -0.565 -12.272 6.731
114 HA THR 16 HA THR 16 -2.601 -12.980 4.831
115 HB THR 16 HB THR 16 -2.459 -13.771 7.769
116 HG1 THR 16 HG1 THR 16 -0.389 -14.328 7.156
117 HG21 THR 16 HG21 THR 16 -4.190 -15.038 6.832
118 HG22 THR 16 HG22 THR 16 -3.518 -14.919 5.188
119 HG23 THR 16 HG23 THR 16 -2.809 -16.056 6.359
120 H CYS 17 H CYS 17 -4.580 -12.146 4.574
121 HA CYS 17 HA CYS 17 -5.287 -9.916 6.212
122 HB2 CYS 17 HB2 CYS 17 -7.075 -11.181 4.152
123 HB3 CYS 17 HB3 CYS 17 -7.016 -9.512 4.684
124 H SER 18 H SER 18 -6.476 -10.057 8.086
125 HA SER 18 HA SER 18 -7.804 -12.595 8.566
126 HB2 SER 18 HB2 SER 18 -6.198 -12.004 10.283
127 HB3 SER 18 HB3 SER 18 -6.850 -10.385 10.429
128 HG SER 18 HG SER 18 -8.312 -11.104 11.813
129 H GLY 19 H GLY 19 -9.996 -12.648 8.250
130 HA2 GLY 19 HA2 GLY 19 -12.167 -12.013 8.458
131 HA3 GLY 19 HA3 GLY 19 -11.668 -10.525 9.236
132 H GLU 20 H GLU 20 -9.682 -10.398 6.682
133 HA GLU 20 HA GLU 20 -11.674 -8.989 5.101
134 HB2 GLU 20 HB2 GLU 20 -8.666 -8.704 4.807
135 HB3 GLU 20 HB3 GLU 20 -9.914 -7.577 4.313
136 HG2 GLU 20 HG2 GLU 20 -10.388 -6.923 6.568
137 HG3 GLU 20 HG3 GLU 20 -9.577 -8.324 7.240
138 H THR 21 H THR 21 -11.403 -9.069 2.670
139 HA THR 21 HA THR 21 -10.051 -11.493 1.745
140 HB THR 21 HB THR 21 -12.247 -11.928 0.405
141 HG1 THR 21 HG1 THR 21 -13.157 -9.812 0.976
142 HG21 THR 21 HG21 THR 21 -13.445 -12.923 2.418
143 HG22 THR 21 HG22 THR 21 -11.739 -13.415 2.298
144 HG23 THR 21 HG23 THR 21 -12.222 -12.156 3.459
145 H ASN 22 H ASN 22 -9.866 -8.371 1.644
146 HA ASN 22 HA ASN 22 -9.501 -8.372 -1.239
147 HB2 ASN 22 HB2 ASN 22 -10.657 -6.087 0.446
148 HB3 ASN 22 HB3 ASN 22 -10.227 -5.941 -1.247
149 HD21 ASN 22 HD21 ASN 22 -12.344 -7.489 1.078
150 HD22 ASN 22 HD22 ASN 22 -13.613 -7.942 -0.011
151 H CYS 23 H CYS 23 -7.774 -6.782 -1.919
152 HA CYS 23 HA CYS 23 -5.997 -6.152 0.326
153 HB2 CYS 23 HB2 CYS 23 -5.176 -6.767 -2.518
154 HB3 CYS 23 HB3 CYS 23 -4.114 -6.458 -1.159
155 H TYR 24 H TYR 24 -5.232 -4.011 0.436
156 HA TYR 24 HA TYR 24 -6.251 -2.223 -1.668
157 HB2 TYR 24 HB2 TYR 24 -6.584 -0.647 0.154
158 HB3 TYR 24 HB3 TYR 24 -7.118 -2.180 0.814
159 HD1 TYR 24 HD1 TYR 24 -4.415 0.336 0.851
160 HD2 TYR 24 HD2 TYR 24 -5.904 -3.272 2.603
161 HE1 TYR 24 HE1 TYR 24 -2.774 0.585 2.777
162 HE2 TYR 24 HE2 TYR 24 -4.258 -3.010 4.523
163 HH TYR 24 HH TYR 24 -3.044 -1.221 5.619
164 H LYS 25 H LYS 25 -4.915 -0.394 -2.269
165 HA LYS 25 HA LYS 25 -2.138 -0.588 -1.380
166 HB2 LYS 25 HB2 LYS 25 -2.007 -1.845 -3.359
167 HB3 LYS 25 HB3 LYS 25 -3.141 -0.818 -4.212
168 HG2 LYS 25 HG2 LYS 25 -1.547 0.974 -4.406
169 HG3 LYS 25 HG3 LYS 25 -0.488 0.274 -3.197
170 HD2 LYS 25 HD2 LYS 25 0.176 -1.524 -4.671
171 HD3 LYS 25 HD3 LYS 25 -1.114 -1.172 -5.804
172 HE2 LYS 25 HE2 LYS 25 1.022 -0.309 -6.679
173 HE3 LYS 25 HE3 LYS 25 -0.061 1.027 -6.340
174 HZ1 LYS 25 HZ1 LYS 25 1.707 1.765 -5.225
175 HZ2 LYS 25 HZ2 LYS 25 1.186 0.789 -4.024
176 HZ3 LYS 25 HZ3 LYS 25 2.379 0.290 -5.021
177 H LYS 26 H LYS 26 -1.590 1.349 -0.552
178 HA LYS 26 HA LYS 26 -2.958 3.692 -1.674
179 HB2 LYS 26 HB2 LYS 26 -1.629 3.677 1.021
180 HB3 LYS 26 HB3 LYS 26 -2.928 4.691 0.427
181 HG2 LYS 26 HG2 LYS 26 -4.360 2.542 0.283
182 HG3 LYS 26 HG3 LYS 26 -3.086 1.741 1.180
183 HD2 LYS 26 HD2 LYS 26 -4.823 4.070 2.091
184 HD3 LYS 26 HD3 LYS 26 -4.709 2.474 2.807
185 HE2 LYS 26 HE2 LYS 26 -2.365 4.429 2.692
186 HE3 LYS 26 HE3 LYS 26 -3.454 4.312 4.060
187 HZ1 LYS 26 HZ1 LYS 26 -1.734 2.177 3.011
188 HZ2 LYS 26 HZ2 LYS 26 -1.596 2.936 4.451
189 HZ3 LYS 26 HZ3 LYS 26 -2.859 1.939 4.171
190 H TRP 27 H TRP 27 -1.746 5.467 -2.368
191 HA TRP 27 HA TRP 27 1.076 5.546 -1.910
192 HB2 TRP 27 HB2 TRP 27 1.852 5.234 -4.120
193 HB3 TRP 27 HB3 TRP 27 0.903 3.824 -3.691
194 HD1 TRP 27 HD1 TRP 27 0.958 6.713 -6.180
195 HE1 TRP 27 HE1 TRP 27 -0.912 6.455 -8.025
196 HE3 TRP 27 HE3 TRP 27 -1.472 2.854 -3.929
197 HZ2 TRP 27 HZ2 TRP 27 -3.146 4.706 -8.329
198 HZ3 TRP 27 HZ3 TRP 27 -3.488 1.930 -5.066
199 HH2 TRP 27 HH2 TRP 27 -4.332 2.794 -7.191
200 H TRP 28 H TRP 28 1.865 7.666 -2.350
201 HA TRP 28 HA TRP 28 0.253 9.504 -3.839
202 HB2 TRP 28 HB2 TRP 28 -0.259 11.028 -2.053
203 HB3 TRP 28 HB3 TRP 28 -1.008 9.473 -1.753
204 HD1 TRP 28 HD1 TRP 28 1.456 11.906 -0.203
205 HE1 TRP 28 HE1 TRP 28 2.293 11.099 2.166
206 HE3 TRP 28 HE3 TRP 28 -0.496 7.221 -0.526
207 HZ2 TRP 28 HZ2 TRP 28 2.051 8.647 3.606
208 HZ3 TRP 28 HZ3 TRP 28 -0.150 5.684 1.405
209 HH2 TRP 28 HH2 TRP 28 1.073 6.330 3.421
210 H SER 29 H SER 29 1.380 11.796 -3.598
211 HA SER 29 HA SER 29 4.231 11.226 -3.550
212 HB2 SER 29 HB2 SER 29 3.770 12.089 -5.671
213 HB3 SER 29 HB3 SER 29 2.491 13.137 -5.091
214 HG SER 29 HG SER 29 5.209 13.650 -5.374
215 H ASP 30 H ASP 30 5.693 12.883 -2.593
216 HA ASP 30 HA ASP 30 4.372 14.779 -0.870
217 HB2 ASP 30 HB2 ASP 30 4.915 12.448 0.289
218 HB3 ASP 30 HB3 ASP 30 6.565 13.039 0.292
219 H HIS 31 H HIS 31 6.185 16.232 0.207
220 HA HIS 31 HA HIS 31 7.916 17.076 -1.841
221 HB2 HIS 31 HB2 HIS 31 7.992 17.846 1.086
222 HB3 HIS 31 HB3 HIS 31 8.643 18.754 -0.264
223 HD1 HIS 31 HD1 HIS 31 7.043 20.267 -1.576
224 HD2 HIS 31 HD2 HIS 31 5.106 17.855 1.257
225 HE1 HIS 31 HE1 HIS 31 4.644 21.125 -1.427
226 HE2 HIS 31 HE2 HIS 31 3.489 19.569 0.288
227 H ARG 32 H ARG 32 8.096 14.472 0.342
228 HA ARG 32 HA ARG 32 10.990 14.607 0.393
229 HB2 ARG 32 HB2 ARG 32 9.010 12.826 1.899
230 HB3 ARG 32 HB3 ARG 32 10.749 12.659 2.031
231 HG2 ARG 32 HG2 ARG 32 9.353 15.311 2.574
232 HG3 ARG 32 HG3 ARG 32 9.545 14.101 3.827
233 HD2 ARG 32 HD2 ARG 32 11.928 14.258 3.794
234 HD3 ARG 32 HD3 ARG 32 11.952 15.005 2.209
235 HE ARG 32 HE ARG 32 10.488 16.733 3.929
236 HH11 ARG 32 HH22 ARG 32 13.774 15.530 3.563
237 HH12 ARG 32 HH21 ARG 32 14.503 16.933 4.271
238 HH21 ARG 32 HH12 ARG 32 11.448 18.584 4.863
239 HH22 ARG 32 HH11 ARG 32 13.171 18.682 5.015
240 H GLY 33 H GLY 33 8.200 12.894 -0.952
241 HA2 GLY 33 HA2 GLY 33 9.310 11.783 -3.112
242 HA3 GLY 33 HA3 GLY 33 9.768 10.630 -1.876
243 H THR 34 H THR 34 8.295 9.335 -3.520
244 HA THR 34 HA THR 34 5.463 9.745 -3.039
245 HB THR 34 HB THR 34 7.170 7.931 -4.802
246 HG1 THR 34 HG1 THR 34 6.351 9.414 -6.298
247 HG21 THR 34 HG21 THR 34 4.347 7.589 -3.936
248 HG22 THR 34 HG22 THR 34 4.540 7.728 -5.700
249 HG23 THR 34 HG23 THR 34 5.404 6.453 -4.808
250 H ILE 35 H ILE 35 4.523 9.034 -1.238
251 HA ILE 35 HA ILE 35 5.764 6.828 0.174
252 HB ILE 35 HB ILE 35 3.455 8.641 0.883
253 HG12 ILE 35 HG12 ILE 35 6.399 8.697 1.563
254 HG13 ILE 35 HG13 ILE 35 5.433 9.950 0.810
255 HG21 ILE 35 HG21 ILE 35 3.773 7.741 3.180
256 HG22 ILE 35 HG22 ILE 35 3.172 6.538 2.013
257 HG23 ILE 35 HG23 ILE 35 4.882 6.521 2.509
258 HD11 ILE 35 HD11 ILE 35 4.046 10.051 2.955
259 HD12 ILE 35 HD12 ILE 35 5.256 8.972 3.691
260 HD13 ILE 35 HD13 ILE 35 5.735 10.588 3.120
261 H ILE 36 H ILE 36 4.992 4.758 0.242
262 HA ILE 36 HA ILE 36 2.375 4.320 -1.013
263 HB ILE 36 HB ILE 36 4.762 2.513 -1.357
264 HG12 ILE 36 HG12 ILE 36 3.755 4.663 -3.245
265 HG13 ILE 36 HG13 ILE 36 5.270 4.693 -2.363
266 HG21 ILE 36 HG21 ILE 36 3.371 1.114 -2.378
267 HG22 ILE 36 HG22 ILE 36 2.027 2.114 -1.777
268 HG23 ILE 36 HG23 ILE 36 2.705 2.415 -3.395
269 HD11 ILE 36 HD11 ILE 36 5.894 2.504 -3.515
270 HD12 ILE 36 HD12 ILE 36 4.444 2.709 -4.526
271 HD13 ILE 36 HD13 ILE 36 5.757 3.909 -4.600
272 H GLU 37 H GLU 37 0.967 3.305 0.310
273 HA GLU 37 HA GLU 37 2.126 1.583 2.348
274 HB2 GLU 37 HB2 GLU 37 1.400 3.948 3.177
275 HB3 GLU 37 HB3 GLU 37 -0.244 3.389 2.939
276 HG2 GLU 37 HG2 GLU 37 1.842 2.354 4.879
277 HG3 GLU 37 HG3 GLU 37 0.198 2.864 5.210
278 H ARG 38 H ARG 38 1.355 -0.451 2.005
279 HA ARG 38 HA ARG 38 -1.416 -0.625 1.136
280 HB2 ARG 38 HB2 ARG 38 0.679 -2.685 0.346
281 HB3 ARG 38 HB3 ARG 38 -0.887 -2.399 -0.388
282 HG2 ARG 38 HG2 ARG 38 0.001 -0.054 -1.035
283 HG3 ARG 38 HG3 ARG 38 1.587 -0.627 -0.560
284 HD2 ARG 38 HD2 ARG 38 -0.175 -2.020 -2.634
285 HD3 ARG 38 HD3 ARG 38 1.095 -0.883 -3.038
286 HE ARG 38 HE ARG 38 1.780 -3.279 -1.390
287 HH11 ARG 38 HH22 ARG 38 2.080 -1.476 -4.397
288 HH12 ARG 38 HH21 ARG 38 3.407 -2.423 -4.982
289 HH21 ARG 38 HH12 ARG 38 3.531 -4.529 -2.161
290 HH22 ARG 38 HH11 ARG 38 4.238 -4.172 -3.702
291 H GLY 39 H GLY 39 -2.437 -2.816 1.712
292 HA2 GLY 39 HA2 GLY 39 -1.171 -4.535 3.581
293 HA3 GLY 39 HA3 GLY 39 -2.189 -3.377 4.414
294 H CYS 40 H CYS 40 -3.334 -5.511 4.989
295 HA CYS 40 HA CYS 40 -4.875 -6.640 2.838
296 HB2 CYS 40 HB2 CYS 40 -4.509 -7.260 5.750
297 HB3 CYS 40 HB3 CYS 40 -5.886 -7.917 4.887
298 H GLY 41 H GLY 41 -7.256 -6.600 2.822
299 HA2 GLY 41 HA2 GLY 41 -9.319 -5.821 3.563
300 HA3 GLY 41 HA3 GLY 41 -8.528 -4.632 4.579
301 H CYS 42 H CYS 42 -10.245 -3.211 3.493
302 HA CYS 42 HA CYS 42 -8.977 -1.949 1.213
303 HB2 CYS 42 HB2 CYS 42 -10.508 -3.415 0.109
304 HB3 CYS 42 HB3 CYS 42 -11.814 -2.982 1.194
305 HA PRO 43 HA PRO 43 -10.445 0.802 4.658
306 HB2 PRO 43 HB2 PRO 43 -8.116 2.234 4.729
307 HB3 PRO 43 HB3 PRO 43 -8.304 0.659 5.585
308 HG2 PRO 43 HG2 PRO 43 -7.088 1.238 2.903
309 HG3 PRO 43 HG3 PRO 43 -6.448 0.234 4.258
310 HD2 PRO 43 HD2 PRO 43 -7.698 -0.846 2.139
311 HD3 PRO 43 HD3 PRO 43 -7.887 -1.504 3.807
312 H LYS 44 H LYS 44 -10.159 3.395 4.660
313 HA LYS 44 HA LYS 44 -10.637 4.227 1.882
314 HB2 LYS 44 HB2 LYS 44 -12.098 5.996 2.906
315 HB3 LYS 44 HB3 LYS 44 -12.696 4.356 3.054
316 HG2 LYS 44 HG2 LYS 44 -12.046 4.209 5.370
317 HG3 LYS 44 HG3 LYS 44 -11.035 5.637 5.260
318 HD2 LYS 44 HD2 LYS 44 -14.081 5.575 5.039
319 HD3 LYS 44 HD3 LYS 44 -13.161 6.170 6.406
320 HE2 LYS 44 HE2 LYS 44 -12.029 7.753 4.580
321 HE3 LYS 44 HE3 LYS 44 -13.477 7.398 3.658
322 HZ1 LYS 44 HZ1 LYS 44 -13.666 8.271 6.440
323 HZ2 LYS 44 HZ2 LYS 44 -13.512 9.359 5.231
324 HZ3 LYS 44 HZ3 LYS 44 -14.800 8.355 5.267
325 H VAL 45 H VAL 45 -9.611 6.088 1.116
326 HA VAL 45 HA VAL 45 -7.590 7.171 2.956
327 HB VAL 45 HB VAL 45 -6.180 7.517 1.045
328 HG11 VAL 45 HG11 VAL 45 -6.465 5.186 2.188
329 HG12 VAL 45 HG12 VAL 45 -7.185 4.710 0.632
330 HG13 VAL 45 HG13 VAL 45 -5.514 5.319 0.690
331 HG21 VAL 45 HG21 VAL 45 -7.502 8.078 -0.772
332 HG22 VAL 45 HG22 VAL 45 -7.008 6.420 -1.190
333 HG23 VAL 45 HG23 VAL 45 -8.626 6.722 -0.512
334 H LYS 46 H LYS 46 -6.984 9.492 2.487
335 HA LYS 46 HA LYS 46 -9.438 10.976 2.108
336 HB2 LYS 46 HB2 LYS 46 -6.751 12.166 2.770
337 HB3 LYS 46 HB3 LYS 46 -8.350 12.757 3.175
338 HG2 LYS 46 HG2 LYS 46 -8.629 10.575 4.563
339 HG3 LYS 46 HG3 LYS 46 -6.902 10.353 4.360
340 HD2 LYS 46 HD2 LYS 46 -6.979 11.532 6.386
341 HD3 LYS 46 HD3 LYS 46 -6.717 12.833 5.242
342 HE2 LYS 46 HE2 LYS 46 -8.507 13.702 6.470
343 HE3 LYS 46 HE3 LYS 46 -9.370 12.932 5.154
344 HZ1 LYS 46 HZ1 LYS 46 -10.241 11.470 6.546
345 HZ2 LYS 46 HZ2 LYS 46 -8.826 11.147 7.294
346 HZ3 LYS 46 HZ3 LYS 46 -9.728 12.423 7.769
347 HA PRO 47 HA PRO 47 -8.912 12.707 -1.834
348 HB2 PRO 47 HB2 PRO 47 -8.413 15.376 -0.567
349 HB3 PRO 47 HB3 PRO 47 -9.642 14.894 -1.796
350 HG2 PRO 47 HG2 PRO 47 -10.342 15.286 0.725
351 HG3 PRO 47 HG3 PRO 47 -10.989 13.878 -0.197
352 HD2 PRO 47 HD2 PRO 47 -8.764 13.989 1.817
353 HD3 PRO 47 HD3 PRO 47 -10.105 12.795 1.651
354 H GLY 48 H GLY 48 -7.132 12.765 -3.260
355 HA2 GLY 48 HA2 GLY 48 -5.103 13.733 -3.978
356 HA3 GLY 48 HA3 GLY 48 -4.647 14.028 -2.312
357 H VAL 49 H VAL 49 -5.474 11.377 -1.286
358 HA VAL 49 HA VAL 49 -3.097 9.958 -2.065
359 HB VAL 49 HB VAL 49 -5.228 8.969 -0.192
360 HG11 VAL 49 HG11 VAL 49 -3.464 7.405 -0.570
361 HG12 VAL 49 HG12 VAL 49 -2.218 8.661 -0.377
362 HG13 VAL 49 HG13 VAL 49 -3.175 8.134 1.028
363 HG21 VAL 49 HG21 VAL 49 -3.425 10.320 1.422
364 HG22 VAL 49 HG22 VAL 49 -3.676 11.441 0.062
365 HG23 VAL 49 HG23 VAL 49 -5.069 10.859 1.005
366 H ASN 50 H ASN 50 -3.024 7.857 -3.014
367 HA ASN 50 HA ASN 50 -5.389 7.347 -4.610
368 HB2 ASN 50 HB2 ASN 50 -2.450 6.583 -4.851
369 HB3 ASN 50 HB3 ASN 50 -3.660 5.708 -5.768
370 HD21 ASN 50 HD21 ASN 50 -1.839 8.586 -5.430
371 HD22 ASN 50 HD22 ASN 50 -2.417 9.447 -6.817
372 H LEU 51 H LEU 51 -6.419 5.255 -4.540
373 HA LEU 51 HA LEU 51 -5.239 3.264 -2.772
374 HB2 LEU 51 HB2 LEU 51 -6.601 4.464 -1.254
375 HB3 LEU 51 HB3 LEU 51 -7.931 4.557 -2.390
376 HG LEU 51 HG LEU 51 -8.373 2.186 -2.169
377 HD11 LEU 51 HD11 LEU 51 -5.674 2.109 -1.148
378 HD12 LEU 51 HD12 LEU 51 -6.797 1.333 -0.006
379 HD13 LEU 51 HD13 LEU 51 -6.723 0.780 -1.696
380 HD21 LEU 51 HD21 LEU 51 -8.117 2.767 0.698
381 HD22 LEU 51 HD22 LEU 51 -8.855 4.082 -0.248
382 HD23 LEU 51 HD23 LEU 51 -9.562 2.449 -0.292
383 H ASN 52 H ASN 52 -5.689 1.144 -3.395
384 HA ASN 52 HA ASN 52 -7.583 0.865 -5.573
385 HB2 ASN 52 HB2 ASN 52 -5.622 0.861 -6.884
386 HB3 ASN 52 HB3 ASN 52 -4.633 0.212 -5.592
387 HD21 ASN 52 HD21 ASN 52 -6.682 -0.456 -8.266
388 HD22 ASN 52 HD22 ASN 52 -6.541 -2.182 -8.296
389 H CYS 53 H CYS 53 -8.985 -0.797 -4.979
390 HA CYS 53 HA CYS 53 -7.941 -2.771 -3.086
391 HB2 CYS 53 HB2 CYS 53 -10.812 -1.951 -3.575
392 HB3 CYS 53 HB3 CYS 53 -10.264 -3.141 -2.412
393 H CYS 54 H CYS 54 -8.371 -5.026 -3.533
394 HA CYS 54 HA CYS 54 -9.762 -5.668 -5.967
395 HB2 CYS 54 HB2 CYS 54 -7.708 -7.099 -6.673
396 HB3 CYS 54 HB3 CYS 54 -7.819 -5.411 -7.133
397 H ARG 55 H ARG 55 -9.920 -8.149 -6.146
398 HA ARG 55 HA ARG 55 -9.815 -9.232 -3.448
399 HB2 ARG 55 HB2 ARG 55 -11.643 -9.940 -5.799
400 HB3 ARG 55 HB3 ARG 55 -11.634 -10.812 -4.279
401 HG2 ARG 55 HG2 ARG 55 -12.627 -9.064 -3.096
402 HG3 ARG 55 HG3 ARG 55 -11.931 -7.824 -4.121
403 HD2 ARG 55 HD2 ARG 55 -13.504 -8.413 -5.952
404 HD3 ARG 55 HD3 ARG 55 -14.161 -9.726 -4.995
405 HE ARG 55 HE ARG 55 -14.697 -6.859 -4.639
406 HH11 ARG 55 HH22 ARG 55 -14.809 -10.041 -3.141
407 HH12 ARG 55 HH21 ARG 55 -16.017 -9.595 -1.983
408 HH21 ARG 55 HH12 ARG 55 -16.291 -6.269 -3.112
409 HH22 ARG 55 HH11 ARG 55 -16.865 -7.434 -1.967
410 H THR 56 H THR 56 -7.430 -9.313 -4.862
411 HA THR 56 HA THR 56 -7.251 -12.161 -5.553
412 HB THR 56 HB THR 56 -5.479 -11.198 -7.301
413 HG1 THR 56 HG1 THR 56 -7.431 -9.101 -7.419
414 HG21 THR 56 HG21 THR 56 -7.309 -10.853 -9.007
415 HG22 THR 56 HG22 THR 56 -7.531 -12.353 -8.074
416 HG23 THR 56 HG23 THR 56 -8.505 -10.915 -7.690
417 H ASP 57 H ASP 57 -5.356 -13.211 -4.932
418 HA ASP 57 HA ASP 57 -4.197 -12.224 -2.643
419 HB2 ASP 57 HB2 ASP 57 -3.056 -14.273 -4.601
420 HB3 ASP 57 HB3 ASP 57 -2.564 -14.089 -2.929
421 H ARG 58 H ARG 58 -2.181 -11.133 -2.265
422 HA ARG 58 HA ARG 58 -0.710 -9.591 -2.746
423 HB2 ARG 58 HB2 ARG 58 0.330 -11.456 -4.916
424 HB3 ARG 58 HB3 ARG 58 1.260 -10.446 -3.827
425 HG2 ARG 58 HG2 ARG 58 0.170 -11.910 -1.919
426 HG3 ARG 58 HG3 ARG 58 -0.195 -13.037 -3.211
427 HD2 ARG 58 HD2 ARG 58 2.114 -13.399 -3.718
428 HD3 ARG 58 HD3 ARG 58 2.622 -11.941 -2.890
429 HE ARG 58 HE ARG 58 1.459 -13.414 -0.862
430 HH11 ARG 58 HH22 ARG 58 3.943 -14.126 -3.251
431 HH12 ARG 58 HH21 ARG 58 4.769 -15.266 -2.241
432 HH21 ARG 58 HH12 ARG 58 2.548 -14.917 0.471
433 HH22 ARG 58 HH11 ARG 58 3.970 -15.718 -0.109
434 H CYS 59 H CYS 59 -3.132 -9.085 -4.173
435 HA CYS 59 HA CYS 59 -2.400 -8.493 -6.893
436 HB2 CYS 59 HB2 CYS 59 -4.671 -7.827 -7.196
437 HB3 CYS 59 HB3 CYS 59 -4.638 -9.350 -6.331
438 H ASN 60 H ASN 60 -2.462 -7.012 -3.707
439 HA ASN 60 HA ASN 60 -2.394 -4.361 -4.834
440 HB2 ASN 60 HB2 ASN 60 -2.449 -3.604 -2.478
441 HB3 ASN 60 HB3 ASN 60 -3.697 -4.808 -2.734
442 HD21 ASN 60 HD21 ASN 60 -2.223 -3.946 -0.323
443 HD22 ASN 60 HD22 ASN 60 -1.538 -5.373 0.380
444 H ASN 61 H ASN 61 -0.213 -5.992 -5.650
445 HA ASN 61 HA ASN 61 1.946 -5.364 -3.841
446 HB2 ASN 61 HB2 ASN 61 3.186 -7.015 -4.981
447 HB3 ASN 61 HB3 ASN 61 1.557 -7.629 -5.182
448 HD21 ASN 61 HD21 ASN 61 4.202 -7.591 -6.765
449 HD22 ASN 61 HD22 ASN 61 3.731 -7.216 -8.389
Start of MODEL 18
1 H1 LEU 1 H1 LEU 1 -6.308 -16.159 1.611
2 H2 LEU 1 H2 LEU 1 -7.176 -15.012 2.431
3 H3 LEU 1 H3 LEU 1 -5.585 -15.272 2.807
4 HA LEU 1 HA LEU 1 -5.546 -14.782 0.181
5 HB2 LEU 1 HB2 LEU 1 -7.782 -14.011 0.145
6 HB3 LEU 1 HB3 LEU 1 -7.561 -13.044 1.591
7 HG LEU 1 HG LEU 1 -5.806 -11.742 0.147
8 HD11 LEU 1 HD11 LEU 1 -5.689 -13.172 -1.762
9 HD12 LEU 1 HD12 LEU 1 -7.455 -13.127 -1.980
10 HD13 LEU 1 HD13 LEU 1 -6.486 -11.661 -2.263
11 HD21 LEU 1 HD21 LEU 1 -7.616 -10.519 0.910
12 HD22 LEU 1 HD22 LEU 1 -7.792 -10.398 -0.857
13 HD23 LEU 1 HD23 LEU 1 -8.803 -11.540 0.061
14 H GLU 2 H GLU 2 -3.727 -13.547 -0.200
15 HA GLU 2 HA GLU 2 -2.603 -12.338 2.204
16 HB2 GLU 2 HB2 GLU 2 -1.106 -13.319 -0.264
17 HB3 GLU 2 HB3 GLU 2 -0.390 -12.761 1.235
18 HG2 GLU 2 HG2 GLU 2 -1.674 -14.651 2.421
19 HG3 GLU 2 HG3 GLU 2 -2.087 -15.263 0.832
20 H CYS 3 H CYS 3 -1.633 -10.234 2.062
21 HA CYS 3 HA CYS 3 -2.018 -8.872 -0.487
22 HB2 CYS 3 HB2 CYS 3 -2.847 -7.607 2.123
23 HB3 CYS 3 HB3 CYS 3 -3.081 -6.988 0.500
24 H HIS 4 H HIS 4 -0.330 -7.407 -0.931
25 HA HIS 4 HA HIS 4 2.027 -7.720 0.527
26 HB2 HIS 4 HB2 HIS 4 1.107 -5.954 -1.712
27 HB3 HIS 4 HB3 HIS 4 2.624 -5.583 -0.917
28 HD1 HIS 4 HD1 HIS 4 4.611 -7.245 -1.248
29 HD2 HIS 4 HD2 HIS 4 1.099 -8.320 -3.275
30 HE1 HIS 4 HE1 HIS 4 5.268 -9.083 -2.892
31 HE2 HIS 4 HE2 HIS 4 3.060 -9.741 -4.069
32 H ASN 5 H ASN 5 3.065 -6.446 2.078
33 HA ASN 5 HA ASN 5 1.403 -4.281 3.109
34 HB2 ASN 5 HB2 ASN 5 2.037 -4.877 5.341
35 HB3 ASN 5 HB3 ASN 5 1.722 -6.417 4.566
36 HD21 ASN 5 HD21 ASN 5 3.146 -7.914 4.958
37 HD22 ASN 5 HD22 ASN 5 4.840 -7.711 5.255
38 H GLN 6 H GLN 6 3.957 -4.774 1.194
39 HA GLN 6 HA GLN 6 6.079 -3.526 2.515
40 HB2 GLN 6 HB2 GLN 6 6.849 -3.169 0.024
41 HB3 GLN 6 HB3 GLN 6 6.753 -4.794 0.673
42 HG2 GLN 6 HG2 GLN 6 4.859 -5.340 -0.572
43 HG3 GLN 6 HG3 GLN 6 4.252 -3.696 -0.582
44 HE21 GLN 6 HE21 GLN 6 5.353 -6.025 -2.498
45 HE22 GLN 6 HE22 GLN 6 6.106 -5.132 -3.777
46 H GLN 7 H GLN 7 6.838 -1.358 2.459
47 HA GLN 7 HA GLN 7 4.784 0.515 1.592
48 HB2 GLN 7 HB2 GLN 7 5.695 2.072 3.241
49 HB3 GLN 7 HB3 GLN 7 5.357 0.539 4.019
50 HG2 GLN 7 HG2 GLN 7 7.910 0.026 3.354
51 HG3 GLN 7 HG3 GLN 7 8.024 1.774 3.333
52 HE21 GLN 7 HE21 GLN 7 8.353 -0.910 5.186
53 HE22 GLN 7 HE22 GLN 7 8.177 -0.251 6.779
54 H SER 8 H SER 8 5.556 2.622 0.655
55 HA SER 8 HA SER 8 6.514 3.469 -1.150
56 HB2 SER 8 HB2 SER 8 9.066 3.082 0.466
57 HB3 SER 8 HB3 SER 8 8.716 4.374 -0.665
58 HG SER 8 HG SER 8 8.113 5.413 1.123
59 H SER 9 H SER 9 9.690 2.771 -1.338
60 HA SER 9 HA SER 9 9.204 0.740 -3.321
61 HB2 SER 9 HB2 SER 9 11.506 2.597 -2.675
62 HB3 SER 9 HB3 SER 9 11.780 1.202 -3.700
63 HG SER 9 HG SER 9 9.719 2.124 -4.864
64 H GLN 10 H GLN 10 9.743 0.770 -0.048
65 HA GLN 10 HA GLN 10 11.876 -0.735 0.519
66 HB2 GLN 10 HB2 GLN 10 9.127 -1.221 1.741
67 HB3 GLN 10 HB3 GLN 10 10.680 -1.490 2.507
68 HG2 GLN 10 HG2 GLN 10 9.405 1.170 1.759
69 HG3 GLN 10 HG3 GLN 10 9.873 0.614 3.354
70 HE21 GLN 10 HE21 GLN 10 10.806 2.226 0.512
71 HE22 GLN 10 HE22 GLN 10 12.468 2.538 0.888
72 HA PRO 11 HA PRO 11 11.712 -4.856 -0.900
73 HB2 PRO 11 HB2 PRO 11 11.389 -5.774 1.934
74 HB3 PRO 11 HB3 PRO 11 12.631 -6.229 0.708
75 HG2 PRO 11 HG2 PRO 11 13.234 -4.578 2.685
76 HG3 PRO 11 HG3 PRO 11 13.799 -4.243 1.006
77 HD2 PRO 11 HD2 PRO 11 11.494 -3.058 2.523
78 HD3 PRO 11 HD3 PRO 11 12.730 -2.245 1.492
79 HA PRO 12 HA PRO 12 7.326 -5.634 -1.252
80 HB2 PRO 12 HB2 PRO 12 8.430 -8.139 -2.470
81 HB3 PRO 12 HB3 PRO 12 7.225 -6.970 -3.129
82 HG2 PRO 12 HG2 PRO 12 9.712 -6.990 -4.031
83 HG3 PRO 12 HG3 PRO 12 8.873 -5.431 -3.688
84 HD2 PRO 12 HD2 PRO 12 10.892 -6.922 -2.039
85 HD3 PRO 12 HD3 PRO 12 10.791 -5.161 -2.414
86 H THR 13 H THR 13 6.039 -6.504 0.401
87 HA THR 13 HA THR 13 6.836 -9.108 1.498
88 HB THR 13 HB THR 13 6.036 -8.001 3.760
89 HG1 THR 13 HG1 THR 13 5.300 -6.012 2.837
90 HG21 THR 13 HG21 THR 13 8.299 -6.899 4.106
91 HG22 THR 13 HG22 THR 13 8.419 -8.556 3.469
92 HG23 THR 13 HG23 THR 13 8.640 -7.166 2.379
93 H THR 14 H THR 14 4.927 -9.907 3.012
94 HA THR 14 HA THR 14 2.350 -9.112 1.920
95 HB THR 14 HB THR 14 1.971 -11.695 1.525
96 HG1 THR 14 HG1 THR 14 4.078 -12.693 1.045
97 HG21 THR 14 HG21 THR 14 2.052 -10.197 -0.423
98 HG22 THR 14 HG22 THR 14 3.817 -10.028 -0.262
99 HG23 THR 14 HG23 THR 14 3.113 -11.589 -0.749
100 H LYS 15 H LYS 15 0.528 -9.955 3.158
101 HA LYS 15 HA LYS 15 1.229 -11.169 5.694
102 HB2 LYS 15 HB2 LYS 15 0.424 -8.319 5.382
103 HB3 LYS 15 HB3 LYS 15 -0.344 -9.215 6.678
104 HG2 LYS 15 HG2 LYS 15 2.674 -9.274 6.268
105 HG3 LYS 15 HG3 LYS 15 1.901 -8.018 7.214
106 HD2 LYS 15 HD2 LYS 15 1.293 -10.931 7.801
107 HD3 LYS 15 HD3 LYS 15 2.771 -10.212 8.410
108 HE2 LYS 15 HE2 LYS 15 1.445 -8.419 9.537
109 HE3 LYS 15 HE3 LYS 15 -0.037 -9.114 8.913
110 HZ1 LYS 15 HZ1 LYS 15 0.792 -9.755 11.236
111 HZ2 LYS 15 HZ2 LYS 15 0.158 -10.915 10.278
112 HZ3 LYS 15 HZ3 LYS 15 1.777 -10.793 10.450
113 H THR 16 H THR 16 -0.585 -12.186 6.722
114 HA THR 16 HA THR 16 -2.607 -12.947 4.824
115 HB THR 16 HB THR 16 -2.472 -13.697 7.772
116 HG1 THR 16 HG1 THR 16 -0.881 -15.319 6.879
117 HG21 THR 16 HG21 THR 16 -4.173 -15.005 6.842
118 HG22 THR 16 HG22 THR 16 -3.496 -14.891 5.199
119 HG23 THR 16 HG23 THR 16 -2.773 -16.005 6.384
120 H CYS 17 H CYS 17 -4.615 -12.173 4.574
121 HA CYS 17 HA CYS 17 -5.340 -9.916 6.178
122 HB2 CYS 17 HB2 CYS 17 -7.102 -11.216 4.117
123 HB3 CYS 17 HB3 CYS 17 -7.067 -9.543 4.639
124 H SER 18 H SER 18 -6.537 -10.056 8.048
125 HA SER 18 HA SER 18 -7.847 -12.602 8.536
126 HB2 SER 18 HB2 SER 18 -6.110 -11.654 10.165
127 HB3 SER 18 HB3 SER 18 -7.260 -10.386 10.543
128 HG SER 18 HG SER 18 -7.140 -12.882 11.570
129 H GLY 19 H GLY 19 -10.037 -12.669 8.209
130 HA2 GLY 19 HA2 GLY 19 -12.212 -12.050 8.393
131 HA3 GLY 19 HA3 GLY 19 -11.731 -10.566 9.192
132 H GLU 20 H GLU 20 -9.726 -10.427 6.639
133 HA GLU 20 HA GLU 20 -11.708 -8.992 5.069
134 HB2 GLU 20 HB2 GLU 20 -8.702 -8.718 4.765
135 HB3 GLU 20 HB3 GLU 20 -9.948 -7.574 4.307
136 HG2 GLU 20 HG2 GLU 20 -10.533 -7.533 6.877
137 HG3 GLU 20 HG3 GLU 20 -8.950 -8.253 7.093
138 H THR 21 H THR 21 -11.402 -9.037 2.631
139 HA THR 21 HA THR 21 -10.076 -11.468 1.691
140 HB THR 21 HB THR 21 -12.268 -11.870 0.334
141 HG1 THR 21 HG1 THR 21 -13.072 -9.686 1.003
142 HG21 THR 21 HG21 THR 21 -12.259 -12.129 3.386
143 HG22 THR 21 HG22 THR 21 -13.489 -12.870 2.334
144 HG23 THR 21 HG23 THR 21 -11.789 -13.382 2.213
145 H ASN 22 H ASN 22 -9.862 -8.348 1.623
146 HA ASN 22 HA ASN 22 -9.478 -8.323 -1.258
147 HB2 ASN 22 HB2 ASN 22 -10.618 -6.037 0.436
148 HB3 ASN 22 HB3 ASN 22 -10.192 -5.895 -1.258
149 HD21 ASN 22 HD21 ASN 22 -12.312 -7.435 1.072
150 HD22 ASN 22 HD22 ASN 22 -13.589 -7.872 -0.013
151 H CYS 23 H CYS 23 -7.738 -6.732 -1.909
152 HA CYS 23 HA CYS 23 -5.970 -6.144 0.354
153 HB2 CYS 23 HB2 CYS 23 -5.141 -6.733 -2.494
154 HB3 CYS 23 HB3 CYS 23 -4.080 -6.437 -1.131
155 H TYR 24 H TYR 24 -5.204 -4.008 0.504
156 HA TYR 24 HA TYR 24 -6.181 -2.189 -1.594
157 HB2 TYR 24 HB2 TYR 24 -6.517 -0.623 0.251
158 HB3 TYR 24 HB3 TYR 24 -7.121 -2.156 0.848
159 HD1 TYR 24 HD2 TYR 24 -4.262 0.203 0.992
160 HD2 TYR 24 HD1 TYR 24 -6.094 -3.259 2.713
161 HE1 TYR 24 HE2 TYR 24 -2.689 0.351 2.984
162 HE2 TYR 24 HE1 TYR 24 -4.515 -3.099 4.699
163 HH TYR 24 HH TYR 24 -2.623 -0.336 5.278
164 H LYS 25 H LYS 25 -4.834 -0.324 -2.101
165 HA LYS 25 HA LYS 25 -2.092 -0.495 -1.137
166 HB2 LYS 25 HB2 LYS 25 -1.937 -1.854 -3.081
167 HB3 LYS 25 HB3 LYS 25 -2.932 -0.766 -4.028
168 HG2 LYS 25 HG2 LYS 25 -1.100 1.030 -3.581
169 HG3 LYS 25 HG3 LYS 25 -0.097 -0.294 -3.022
170 HD2 LYS 25 HD2 LYS 25 -0.328 -1.437 -5.209
171 HD3 LYS 25 HD3 LYS 25 -1.424 -0.191 -5.773
172 HE2 LYS 25 HE2 LYS 25 1.328 0.597 -4.776
173 HE3 LYS 25 HE3 LYS 25 1.160 -0.073 -6.387
174 HZ1 LYS 25 HZ1 LYS 25 0.292 2.462 -5.384
175 HZ2 LYS 25 HZ2 LYS 25 0.711 2.030 -6.902
176 HZ3 LYS 25 HZ3 LYS 25 -0.795 1.720 -6.350
177 H LYS 26 H LYS 26 -1.554 1.482 -0.403
178 HA LYS 26 HA LYS 26 -2.932 3.759 -1.642
179 HB2 LYS 26 HB2 LYS 26 -2.227 3.077 1.163
180 HB3 LYS 26 HB3 LYS 26 -2.003 4.751 0.700
181 HG2 LYS 26 HG2 LYS 26 -4.241 4.848 1.294
182 HG3 LYS 26 HG3 LYS 26 -4.434 4.425 -0.395
183 HD2 LYS 26 HD2 LYS 26 -5.845 2.916 0.846
184 HD3 LYS 26 HD3 LYS 26 -4.474 1.971 0.299
185 HE2 LYS 26 HE2 LYS 26 -5.018 1.522 2.697
186 HE3 LYS 26 HE3 LYS 26 -3.395 2.153 2.504
187 HZ1 LYS 26 HZ1 LYS 26 -4.695 3.222 4.270
188 HZ2 LYS 26 HZ2 LYS 26 -4.146 4.285 3.159
189 HZ3 LYS 26 HZ3 LYS 26 -5.715 3.833 3.151
190 H TRP 27 H TRP 27 -1.727 5.538 -2.361
191 HA TRP 27 HA TRP 27 1.096 5.631 -1.886
192 HB2 TRP 27 HB2 TRP 27 1.882 5.281 -4.079
193 HB3 TRP 27 HB3 TRP 27 0.908 3.888 -3.654
194 HD1 TRP 27 HD1 TRP 27 1.015 6.782 -6.141
195 HE1 TRP 27 HE1 TRP 27 -0.832 6.537 -8.010
196 HE3 TRP 27 HE3 TRP 27 -1.455 2.926 -3.932
197 HZ2 TRP 27 HZ2 TRP 27 -3.069 4.796 -8.347
198 HZ3 TRP 27 HZ3 TRP 27 -3.460 2.011 -5.096
199 HH2 TRP 27 HH2 TRP 27 -4.275 2.884 -7.229
200 H TRP 28 H TRP 28 1.868 7.753 -2.300
201 HA TRP 28 HA TRP 28 0.241 9.573 -3.815
202 HB2 TRP 28 HB2 TRP 28 -0.195 11.129 -2.018
203 HB3 TRP 28 HB3 TRP 28 -0.988 9.594 -1.726
204 HD1 TRP 28 HD1 TRP 28 1.587 11.927 -0.188
205 HE1 TRP 28 HE1 TRP 28 2.406 11.080 2.173
206 HE3 TRP 28 HE3 TRP 28 -0.574 7.335 -0.502
207 HZ2 TRP 28 HZ2 TRP 28 2.066 8.639 3.612
208 HZ3 TRP 28 HZ3 TRP 28 -0.282 5.780 1.425
209 HH2 TRP 28 HH2 TRP 28 0.984 6.368 3.431
210 H SER 29 H SER 29 1.382 11.839 -3.703
211 HA SER 29 HA SER 29 4.234 11.276 -3.633
212 HB2 SER 29 HB2 SER 29 2.954 12.126 -5.763
213 HB3 SER 29 HB3 SER 29 2.965 13.686 -4.966
214 HG SER 29 HG SER 29 4.993 13.936 -5.576
215 H ASP 30 H ASP 30 5.695 12.878 -2.674
216 HA ASP 30 HA ASP 30 4.386 14.931 -1.121
217 HB2 ASP 30 HB2 ASP 30 4.762 12.718 0.230
218 HB3 ASP 30 HB3 ASP 30 6.467 13.117 0.157
219 H HIS 31 H HIS 31 6.201 16.410 -0.100
220 HA HIS 31 HA HIS 31 8.020 17.058 -2.146
221 HB2 HIS 31 HB2 HIS 31 8.659 18.879 -0.762
222 HB3 HIS 31 HB3 HIS 31 6.929 18.668 -0.583
223 HD1 HIS 31 HD1 HIS 31 6.027 17.930 1.740
224 HD2 HIS 31 HD2 HIS 31 10.204 18.268 1.553
225 HE1 HIS 31 HE1 HIS 31 6.860 17.836 4.149
226 HE2 HIS 31 HE2 HIS 31 9.437 17.994 3.967
227 H ARG 32 H ARG 32 8.054 14.608 0.197
228 HA ARG 32 HA ARG 32 10.944 14.699 0.389
229 HB2 ARG 32 HB2 ARG 32 8.764 13.279 1.957
230 HB3 ARG 32 HB3 ARG 32 10.409 12.678 2.029
231 HG2 ARG 32 HG2 ARG 32 9.734 15.602 2.563
232 HG3 ARG 32 HG3 ARG 32 9.709 14.396 3.834
233 HD2 ARG 32 HD2 ARG 32 12.135 13.796 3.055
234 HD3 ARG 32 HD3 ARG 32 12.091 15.310 2.174
235 HE ARG 32 HE ARG 32 11.238 15.978 4.752
236 HH11 ARG 32 HH22 ARG 32 14.106 14.487 3.362
237 HH12 ARG 32 HH21 ARG 32 15.165 15.064 4.605
238 HH21 ARG 32 HH12 ARG 32 12.635 16.739 6.393
239 HH22 ARG 32 HH11 ARG 32 14.323 16.354 6.341
240 H GLY 33 H GLY 33 8.195 12.956 -1.001
241 HA2 GLY 33 HA2 GLY 33 9.383 11.707 -3.036
242 HA3 GLY 33 HA3 GLY 33 9.775 10.623 -1.717
243 H THR 34 H THR 34 8.361 9.247 -3.345
244 HA THR 34 HA THR 34 5.511 9.696 -2.940
245 HB THR 34 HB THR 34 7.224 7.867 -4.685
246 HG1 THR 34 HG1 THR 34 6.627 10.268 -5.042
247 HG21 THR 34 HG21 THR 34 4.660 7.664 -5.671
248 HG22 THR 34 HG22 THR 34 5.412 6.424 -4.640
249 HG23 THR 34 HG23 THR 34 4.339 7.648 -3.920
250 H ILE 35 H ILE 35 4.540 8.970 -1.162
251 HA ILE 35 HA ILE 35 5.767 6.751 0.250
252 HB ILE 35 HB ILE 35 3.486 8.599 0.958
253 HG12 ILE 35 HG12 ILE 35 6.416 8.561 1.708
254 HG13 ILE 35 HG13 ILE 35 5.520 9.840 0.912
255 HG21 ILE 35 HG21 ILE 35 3.122 6.504 2.065
256 HG22 ILE 35 HG22 ILE 35 4.829 6.410 2.563
257 HG23 ILE 35 HG23 ILE 35 3.768 7.661 3.253
258 HD11 ILE 35 HD11 ILE 35 4.059 9.988 3.015
259 HD12 ILE 35 HD12 ILE 35 5.233 8.902 3.796
260 HD13 ILE 35 HD13 ILE 35 5.751 10.503 3.215
261 H ILE 36 H ILE 36 4.943 4.695 0.353
262 HA ILE 36 HA ILE 36 2.322 4.289 -0.896
263 HB ILE 36 HB ILE 36 4.668 2.453 -1.336
264 HG12 ILE 36 HG12 ILE 36 3.728 4.706 -3.136
265 HG13 ILE 36 HG13 ILE 36 5.240 4.661 -2.252
266 HG21 ILE 36 HG21 ILE 36 2.570 2.535 -3.350
267 HG22 ILE 36 HG22 ILE 36 3.245 1.156 -2.450
268 HG23 ILE 36 HG23 ILE 36 1.936 2.129 -1.737
269 HD11 ILE 36 HD11 ILE 36 4.371 2.724 -4.445
270 HD12 ILE 36 HD12 ILE 36 5.650 3.957 -4.557
271 HD13 ILE 36 HD13 ILE 36 5.861 2.550 -3.487
272 H GLU 37 H GLU 37 0.943 3.236 0.428
273 HA GLU 37 HA GLU 37 2.165 1.529 2.449
274 HB2 GLU 37 HB2 GLU 37 1.270 3.854 3.250
275 HB3 GLU 37 HB3 GLU 37 -0.326 3.171 3.006
276 HG2 GLU 37 HG2 GLU 37 0.465 2.881 5.358
277 HG3 GLU 37 HG3 GLU 37 0.148 1.344 4.580
278 H ARG 38 H ARG 38 1.519 -0.548 2.102
279 HA ARG 38 HA ARG 38 -1.168 -0.874 1.027
280 HB2 ARG 38 HB2 ARG 38 1.180 -2.802 0.680
281 HB3 ARG 38 HB3 ARG 38 -0.380 -2.909 -0.111
282 HG2 ARG 38 HG2 ARG 38 0.167 -0.525 -1.061
283 HG3 ARG 38 HG3 ARG 38 1.815 -0.855 -0.567
284 HD2 ARG 38 HD2 ARG 38 1.483 -3.133 -1.883
285 HD3 ARG 38 HD3 ARG 38 0.145 -2.300 -2.648
286 HE ARG 38 HE ARG 38 1.702 -1.126 -3.917
287 HH11 ARG 38 HH22 ARG 38 3.244 -2.114 -0.912
288 HH12 ARG 38 HH21 ARG 38 4.791 -1.465 -1.344
289 HH21 ARG 38 HH12 ARG 38 3.743 -0.269 -4.487
290 HH22 ARG 38 HH11 ARG 38 5.076 -0.408 -3.390
291 H GLY 39 H GLY 39 -2.222 -3.029 1.674
292 HA2 GLY 39 HA2 GLY 39 -1.205 -4.586 3.791
293 HA3 GLY 39 HA3 GLY 39 -2.242 -3.336 4.451
294 H CYS 40 H CYS 40 -3.388 -5.538 5.041
295 HA CYS 40 HA CYS 40 -4.893 -6.628 2.841
296 HB2 CYS 40 HB2 CYS 40 -4.577 -7.310 5.745
297 HB3 CYS 40 HB3 CYS 40 -5.940 -7.943 4.845
298 H GLY 41 H GLY 41 -7.277 -6.580 2.802
299 HA2 GLY 41 HA2 GLY 41 -9.344 -5.802 3.543
300 HA3 GLY 41 HA3 GLY 41 -8.553 -4.625 4.572
301 H CYS 42 H CYS 42 -10.244 -3.175 3.498
302 HA CYS 42 HA CYS 42 -8.957 -1.897 1.240
303 HB2 CYS 42 HB2 CYS 42 -10.474 -3.367 0.109
304 HB3 CYS 42 HB3 CYS 42 -11.798 -2.922 1.167
305 HA PRO 43 HA PRO 43 -10.480 0.817 4.689
306 HB2 PRO 43 HB2 PRO 43 -8.162 2.263 4.795
307 HB3 PRO 43 HB3 PRO 43 -8.348 0.679 5.635
308 HG2 PRO 43 HG2 PRO 43 -7.109 1.290 2.971
309 HG3 PRO 43 HG3 PRO 43 -6.476 0.278 4.323
310 HD2 PRO 43 HD2 PRO 43 -7.699 -0.792 2.183
311 HD3 PRO 43 HD3 PRO 43 -7.900 -1.465 3.844
312 H LYS 44 H LYS 44 -10.286 3.393 4.720
313 HA LYS 44 HA LYS 44 -10.718 4.252 1.944
314 HB2 LYS 44 HB2 LYS 44 -11.990 5.264 4.505
315 HB3 LYS 44 HB3 LYS 44 -12.235 5.962 2.917
316 HG2 LYS 44 HG2 LYS 44 -14.054 4.511 2.997
317 HG3 LYS 44 HG3 LYS 44 -12.872 3.465 2.237
318 HD2 LYS 44 HD2 LYS 44 -12.492 2.222 4.209
319 HD3 LYS 44 HD3 LYS 44 -13.034 3.518 5.257
320 HE2 LYS 44 HE2 LYS 44 -14.894 2.123 5.373
321 HE3 LYS 44 HE3 LYS 44 -15.373 3.131 4.022
322 HZ1 LYS 44 HZ1 LYS 44 -14.485 0.385 4.018
323 HZ2 LYS 44 HZ2 LYS 44 -15.622 1.114 3.099
324 HZ3 LYS 44 HZ3 LYS 44 -14.039 1.294 2.736
325 H VAL 45 H VAL 45 -9.745 6.170 1.219
326 HA VAL 45 HA VAL 45 -7.764 7.273 3.092
327 HB VAL 45 HB VAL 45 -6.288 7.598 1.228
328 HG11 VAL 45 HG11 VAL 45 -7.428 4.833 1.587
329 HG12 VAL 45 HG12 VAL 45 -6.097 5.122 0.441
330 HG13 VAL 45 HG13 VAL 45 -5.885 5.505 2.166
331 HG21 VAL 45 HG21 VAL 45 -7.556 8.104 -0.646
332 HG22 VAL 45 HG22 VAL 45 -7.011 6.450 -1.013
333 HG23 VAL 45 HG23 VAL 45 -8.660 6.729 -0.404
334 H LYS 46 H LYS 46 -7.140 9.593 2.528
335 HA LYS 46 HA LYS 46 -9.604 11.041 2.071
336 HB2 LYS 46 HB2 LYS 46 -6.936 12.269 2.745
337 HB3 LYS 46 HB3 LYS 46 -8.545 12.869 3.093
338 HG2 LYS 46 HG2 LYS 46 -8.886 10.828 4.599
339 HG3 LYS 46 HG3 LYS 46 -7.195 10.441 4.358
340 HD2 LYS 46 HD2 LYS 46 -6.780 12.944 5.126
341 HD3 LYS 46 HD3 LYS 46 -8.400 12.829 5.785
342 HE2 LYS 46 HE2 LYS 46 -6.830 12.200 7.539
343 HE3 LYS 46 HE3 LYS 46 -7.702 10.759 7.055
344 HZ1 LYS 46 HZ1 LYS 46 -4.959 11.253 6.916
345 HZ2 LYS 46 HZ2 LYS 46 -5.759 9.863 6.608
346 HZ3 LYS 46 HZ3 LYS 46 -5.508 10.944 5.410
347 HA PRO 47 HA PRO 47 -9.028 12.637 -1.920
348 HB2 PRO 47 HB2 PRO 47 -8.606 15.356 -0.736
349 HB3 PRO 47 HB3 PRO 47 -9.800 14.809 -1.971
350 HG2 PRO 47 HG2 PRO 47 -10.559 15.274 0.520
351 HG3 PRO 47 HG3 PRO 47 -11.161 13.823 -0.367
352 HD2 PRO 47 HD2 PRO 47 -8.981 14.045 1.687
353 HD3 PRO 47 HD3 PRO 47 -10.296 12.820 1.535
354 H GLY 48 H GLY 48 -7.234 12.739 -3.334
355 HA2 GLY 48 HA2 GLY 48 -5.207 13.727 -4.026
356 HA3 GLY 48 HA3 GLY 48 -4.783 14.043 -2.355
357 H VAL 49 H VAL 49 -5.582 11.392 -1.314
358 HA VAL 49 HA VAL 49 -3.174 10.000 -2.046
359 HB VAL 49 HB VAL 49 -5.316 8.994 -0.195
360 HG11 VAL 49 HG11 VAL 49 -3.508 7.465 -0.543
361 HG12 VAL 49 HG12 VAL 49 -2.295 8.748 -0.314
362 HG13 VAL 49 HG13 VAL 49 -3.279 8.197 1.063
363 HG21 VAL 49 HG21 VAL 49 -3.805 11.493 0.061
364 HG22 VAL 49 HG22 VAL 49 -5.213 10.905 0.976
365 HG23 VAL 49 HG23 VAL 49 -3.573 10.390 1.439
366 H ASN 50 H ASN 50 -3.036 7.951 -3.049
367 HA ASN 50 HA ASN 50 -5.376 7.372 -4.647
368 HB2 ASN 50 HB2 ASN 50 -2.423 6.652 -4.837
369 HB3 ASN 50 HB3 ASN 50 -3.603 5.752 -5.768
370 HD21 ASN 50 HD21 ASN 50 -1.827 8.654 -5.423
371 HD22 ASN 50 HD22 ASN 50 -2.398 9.500 -6.823
372 H LEU 51 H LEU 51 -6.391 5.279 -4.565
373 HA LEU 51 HA LEU 51 -5.214 3.324 -2.747
374 HB2 LEU 51 HB2 LEU 51 -6.670 4.504 -1.304
375 HB3 LEU 51 HB3 LEU 51 -7.952 4.552 -2.498
376 HG LEU 51 HG LEU 51 -8.383 2.198 -2.253
377 HD11 LEU 51 HD11 LEU 51 -5.689 2.124 -1.237
378 HD12 LEU 51 HD12 LEU 51 -6.803 1.357 -0.080
379 HD13 LEU 51 HD13 LEU 51 -6.741 0.789 -1.766
380 HD21 LEU 51 HD21 LEU 51 -8.635 4.088 -0.133
381 HD22 LEU 51 HD22 LEU 51 -9.681 2.704 -0.531
382 HD23 LEU 51 HD23 LEU 51 -8.306 2.489 0.578
383 H ASN 52 H ASN 52 -5.624 1.175 -3.330
384 HA ASN 52 HA ASN 52 -7.381 0.833 -5.612
385 HB2 ASN 52 HB2 ASN 52 -5.012 1.011 -6.454
386 HB3 ASN 52 HB3 ASN 52 -4.542 -0.302 -5.394
387 HD21 ASN 52 HD21 ASN 52 -5.105 -2.392 -5.844
388 HD22 ASN 52 HD22 ASN 52 -5.772 -2.913 -7.356
389 H CYS 53 H CYS 53 -8.831 -0.780 -5.002
390 HA CYS 53 HA CYS 53 -7.856 -2.757 -3.074
391 HB2 CYS 53 HB2 CYS 53 -10.692 -1.832 -3.583
392 HB3 CYS 53 HB3 CYS 53 -10.213 -3.072 -2.442
393 H CYS 54 H CYS 54 -8.260 -4.994 -3.540
394 HA CYS 54 HA CYS 54 -9.687 -5.625 -5.961
395 HB2 CYS 54 HB2 CYS 54 -7.652 -7.084 -6.668
396 HB3 CYS 54 HB3 CYS 54 -7.745 -5.398 -7.134
397 H ARG 55 H ARG 55 -9.859 -8.111 -6.140
398 HA ARG 55 HA ARG 55 -9.774 -9.187 -3.438
399 HB2 ARG 55 HB2 ARG 55 -11.604 -9.882 -5.790
400 HB3 ARG 55 HB3 ARG 55 -11.605 -10.752 -4.269
401 HG2 ARG 55 HG2 ARG 55 -12.585 -8.993 -3.091
402 HG3 ARG 55 HG3 ARG 55 -11.875 -7.761 -4.116
403 HD2 ARG 55 HD2 ARG 55 -13.436 -8.590 -5.995
404 HD3 ARG 55 HD3 ARG 55 -14.246 -9.563 -4.784
405 HE ARG 55 HE ARG 55 -13.989 -6.786 -3.942
406 HH11 ARG 55 HH22 ARG 55 -15.909 -8.987 -5.905
407 HH12 ARG 55 HH21 ARG 55 -17.339 -8.012 -5.826
408 HH21 ARG 55 HH12 ARG 55 -15.875 -5.501 -3.838
409 HH22 ARG 55 HH11 ARG 55 -17.320 -6.016 -4.642
410 H THR 56 H THR 56 -7.387 -9.293 -4.849
411 HA THR 56 HA THR 56 -7.232 -12.145 -5.527
412 HB THR 56 HB THR 56 -5.457 -11.211 -7.285
413 HG1 THR 56 HG1 THR 56 -6.678 -9.074 -7.986
414 HG21 THR 56 HG21 THR 56 -7.529 -12.346 -8.041
415 HG22 THR 56 HG22 THR 56 -8.479 -10.887 -7.672
416 HG23 THR 56 HG23 THR 56 -7.283 -10.860 -8.989
417 H ASP 57 H ASP 57 -5.346 -13.207 -4.901
418 HA ASP 57 HA ASP 57 -4.174 -12.210 -2.621
419 HB2 ASP 57 HB2 ASP 57 -3.099 -14.304 -4.570
420 HB3 ASP 57 HB3 ASP 57 -2.534 -14.089 -2.926
421 H ARG 58 H ARG 58 -2.133 -11.154 -2.257
422 HA ARG 58 HA ARG 58 -0.639 -9.640 -2.750
423 HB2 ARG 58 HB2 ARG 58 0.347 -11.514 -4.937
424 HB3 ARG 58 HB3 ARG 58 1.305 -10.523 -3.856
425 HG2 ARG 58 HG2 ARG 58 0.210 -11.975 -1.940
426 HG3 ARG 58 HG3 ARG 58 -0.183 -13.093 -3.231
427 HD2 ARG 58 HD2 ARG 58 2.116 -13.486 -3.762
428 HD3 ARG 58 HD3 ARG 58 2.652 -12.038 -2.932
429 HE ARG 58 HE ARG 58 1.413 -13.615 -0.959
430 HH11 ARG 58 HH22 ARG 58 4.137 -13.947 -3.161
431 HH12 ARG 58 HH21 ARG 58 5.018 -15.009 -2.114
432 HH21 ARG 58 HH12 ARG 58 2.574 -15.016 0.423
433 HH22 ARG 58 HH11 ARG 58 4.123 -15.622 -0.062
434 H CYS 59 H CYS 59 -3.078 -9.116 -4.163
435 HA CYS 59 HA CYS 59 -2.348 -8.507 -6.881
436 HB2 CYS 59 HB2 CYS 59 -4.616 -7.855 -7.187
437 HB3 CYS 59 HB3 CYS 59 -4.589 -9.369 -6.307
438 H ASN 60 H ASN 60 -2.414 -7.049 -3.683
439 HA ASN 60 HA ASN 60 -2.324 -4.392 -4.801
440 HB2 ASN 60 HB2 ASN 60 -2.436 -3.637 -2.451
441 HB3 ASN 60 HB3 ASN 60 -3.673 -4.848 -2.726
442 HD21 ASN 60 HD21 ASN 60 -2.129 -3.933 -0.323
443 HD22 ASN 60 HD22 ASN 60 -1.490 -5.367 0.408
444 H ASN 61 H ASN 61 -0.136 -5.849 -5.677
445 HA ASN 61 HA ASN 61 2.000 -5.839 -3.866
446 HB2 ASN 61 HB2 ASN 61 1.760 -7.222 -6.032
447 HB3 ASN 61 HB3 ASN 61 2.157 -5.766 -6.922
448 HD21 ASN 61 HD21 ASN 61 4.060 -6.434 -7.751
449 HD22 ASN 61 HD22 ASN 61 5.491 -6.751 -6.827
Start of MODEL 19
1 H1 LEU 1 H1 LEU 1 -6.236 -16.228 1.530
2 H2 LEU 1 H2 LEU 1 -7.165 -15.138 2.361
3 H3 LEU 1 H3 LEU 1 -5.567 -15.333 2.751
4 HA LEU 1 HA LEU 1 -5.562 -14.789 0.120
5 HB2 LEU 1 HB2 LEU 1 -7.799 -14.053 0.121
6 HB3 LEU 1 HB3 LEU 1 -7.600 -13.157 1.614
7 HG LEU 1 HG LEU 1 -5.912 -11.706 0.278
8 HD11 LEU 1 HD11 LEU 1 -7.378 -13.101 -1.972
9 HD12 LEU 1 HD12 LEU 1 -6.503 -11.562 -2.158
10 HD13 LEU 1 HD13 LEU 1 -5.623 -13.034 -1.680
11 HD21 LEU 1 HD21 LEU 1 -7.822 -10.620 1.005
12 HD22 LEU 1 HD22 LEU 1 -7.925 -10.432 -0.762
13 HD23 LEU 1 HD23 LEU 1 -8.909 -11.666 0.061
14 H GLU 2 H GLU 2 -3.743 -13.562 -0.236
15 HA GLU 2 HA GLU 2 -2.621 -12.371 2.176
16 HB2 GLU 2 HB2 GLU 2 -1.482 -14.338 0.758
17 HB3 GLU 2 HB3 GLU 2 -0.935 -13.005 -0.240
18 HG2 GLU 2 HG2 GLU 2 0.146 -11.925 1.676
19 HG3 GLU 2 HG3 GLU 2 -0.552 -13.087 2.787
20 H CYS 3 H CYS 3 -1.555 -10.281 2.009
21 HA CYS 3 HA CYS 3 -2.026 -8.874 -0.494
22 HB2 CYS 3 HB2 CYS 3 -2.808 -7.637 2.142
23 HB3 CYS 3 HB3 CYS 3 -3.083 -7.012 0.529
24 H HIS 4 H HIS 4 -0.388 -7.322 -0.911
25 HA HIS 4 HA HIS 4 2.008 -7.676 0.500
26 HB2 HIS 4 HB2 HIS 4 1.049 -5.911 -1.720
27 HB3 HIS 4 HB3 HIS 4 2.561 -5.508 -0.932
28 HD1 HIS 4 HD1 HIS 4 4.568 -7.184 -1.219
29 HD2 HIS 4 HD2 HIS 4 1.103 -8.215 -3.346
30 HE1 HIS 4 HE1 HIS 4 5.262 -8.987 -2.885
31 HE2 HIS 4 HE2 HIS 4 3.081 -9.619 -4.125
32 H ASN 5 H ASN 5 3.014 -6.469 2.104
33 HA ASN 5 HA ASN 5 1.378 -4.291 3.145
34 HB2 ASN 5 HB2 ASN 5 1.990 -4.924 5.370
35 HB3 ASN 5 HB3 ASN 5 1.685 -6.454 4.572
36 HD21 ASN 5 HD21 ASN 5 3.610 -5.126 6.705
37 HD22 ASN 5 HD22 ASN 5 5.127 -5.908 6.410
38 H GLN 6 H GLN 6 3.817 -4.620 1.153
39 HA GLN 6 HA GLN 6 5.972 -3.419 2.539
40 HB2 GLN 6 HB2 GLN 6 6.796 -3.114 0.061
41 HB3 GLN 6 HB3 GLN 6 6.688 -4.726 0.738
42 HG2 GLN 6 HG2 GLN 6 4.844 -5.308 -0.554
43 HG3 GLN 6 HG3 GLN 6 4.205 -3.676 -0.581
44 HE21 GLN 6 HE21 GLN 6 5.327 -5.972 -2.493
45 HE22 GLN 6 HE22 GLN 6 6.105 -5.074 -3.753
46 H GLN 7 H GLN 7 6.691 -1.245 2.482
47 HA GLN 7 HA GLN 7 4.653 0.586 1.497
48 HB2 GLN 7 HB2 GLN 7 6.749 0.892 3.687
49 HB3 GLN 7 HB3 GLN 7 5.771 2.226 3.109
50 HG2 GLN 7 HG2 GLN 7 3.708 0.729 3.619
51 HG3 GLN 7 HG3 GLN 7 4.815 -0.314 4.490
52 HE21 GLN 7 HE21 GLN 7 4.278 3.193 4.123
53 HE22 GLN 7 HE22 GLN 7 4.283 3.593 5.809
54 H SER 8 H SER 8 5.518 2.760 0.677
55 HA SER 8 HA SER 8 6.531 3.618 -1.094
56 HB2 SER 8 HB2 SER 8 9.062 3.105 0.514
57 HB3 SER 8 HB3 SER 8 8.724 4.464 -0.539
58 HG SER 8 HG SER 8 7.530 3.868 2.024
59 H SER 9 H SER 9 9.673 2.848 -1.291
60 HA SER 9 HA SER 9 9.142 0.833 -3.286
61 HB2 SER 9 HB2 SER 9 11.695 1.293 -3.740
62 HB3 SER 9 HB3 SER 9 10.502 2.481 -4.224
63 HG SER 9 HG SER 9 12.253 2.532 -1.935
64 H GLN 10 H GLN 10 9.724 0.849 -0.028
65 HA GLN 10 HA GLN 10 11.875 -0.643 0.507
66 HB2 GLN 10 HB2 GLN 10 9.169 -1.219 1.774
67 HB3 GLN 10 HB3 GLN 10 10.748 -1.360 2.521
68 HG2 GLN 10 HG2 GLN 10 9.115 1.097 1.973
69 HG3 GLN 10 HG3 GLN 10 10.113 0.713 3.362
70 HE21 GLN 10 HE21 GLN 10 12.414 0.828 3.165
71 HE22 GLN 10 HE22 GLN 10 13.161 1.924 2.051
72 HA PRO 11 HA PRO 11 11.723 -4.761 -0.923
73 HB2 PRO 11 HB2 PRO 11 11.423 -5.692 1.909
74 HB3 PRO 11 HB3 PRO 11 12.659 -6.136 0.674
75 HG2 PRO 11 HG2 PRO 11 13.266 -4.490 2.654
76 HG3 PRO 11 HG3 PRO 11 13.819 -4.145 0.973
77 HD2 PRO 11 HD2 PRO 11 11.518 -2.978 2.509
78 HD3 PRO 11 HD3 PRO 11 12.743 -2.154 1.474
79 HA PRO 12 HA PRO 12 7.331 -5.537 -1.243
80 HB2 PRO 12 HB2 PRO 12 8.432 -8.011 -2.525
81 HB3 PRO 12 HB3 PRO 12 7.214 -6.835 -3.145
82 HG2 PRO 12 HG2 PRO 12 9.689 -6.823 -4.077
83 HG3 PRO 12 HG3 PRO 12 8.847 -5.276 -3.692
84 HD2 PRO 12 HD2 PRO 12 10.894 -6.791 -2.099
85 HD3 PRO 12 HD3 PRO 12 10.779 -5.023 -2.436
86 H THR 13 H THR 13 6.063 -6.453 0.401
87 HA THR 13 HA THR 13 6.889 -9.073 1.437
88 HB THR 13 HB THR 13 6.110 -8.021 3.729
89 HG1 THR 13 HG1 THR 13 5.358 -6.054 2.547
90 HG21 THR 13 HG21 THR 13 8.688 -7.125 2.338
91 HG22 THR 13 HG22 THR 13 8.366 -6.909 4.075
92 HG23 THR 13 HG23 THR 13 8.496 -8.547 3.391
93 H THR 14 H THR 14 5.006 -9.930 2.939
94 HA THR 14 HA THR 14 2.421 -9.151 1.822
95 HB THR 14 HB THR 14 2.075 -11.768 1.577
96 HG1 THR 14 HG1 THR 14 4.011 -12.699 2.140
97 HG21 THR 14 HG21 THR 14 2.104 -11.117 -0.616
98 HG22 THR 14 HG22 THR 14 3.207 -9.769 -0.252
99 HG23 THR 14 HG23 THR 14 3.862 -11.388 -0.593
100 H LYS 15 H LYS 15 0.584 -9.997 3.067
101 HA LYS 15 HA LYS 15 1.250 -11.064 5.669
102 HB2 LYS 15 HB2 LYS 15 0.355 -8.238 5.233
103 HB3 LYS 15 HB3 LYS 15 -0.264 -9.106 6.623
104 HG2 LYS 15 HG2 LYS 15 2.282 -9.772 6.996
105 HG3 LYS 15 HG3 LYS 15 2.606 -8.394 5.962
106 HD2 LYS 15 HD2 LYS 15 1.333 -8.454 8.703
107 HD3 LYS 15 HD3 LYS 15 2.617 -7.419 8.107
108 HE2 LYS 15 HE2 LYS 15 0.744 -6.497 6.464
109 HE3 LYS 15 HE3 LYS 15 -0.368 -7.197 7.623
110 HZ1 LYS 15 HZ1 LYS 15 1.211 -5.922 9.262
111 HZ2 LYS 15 HZ2 LYS 15 1.443 -4.973 7.953
112 HZ3 LYS 15 HZ3 LYS 15 -0.062 -5.188 8.549
113 H THR 16 H THR 16 -0.574 -12.041 6.710
114 HA THR 16 HA THR 16 -2.585 -12.859 4.822
115 HB THR 16 HB THR 16 -2.450 -13.513 7.796
116 HG1 THR 16 HG1 THR 16 -0.791 -15.039 7.117
117 HG21 THR 16 HG21 THR 16 -3.511 -14.780 5.272
118 HG22 THR 16 HG22 THR 16 -2.800 -15.861 6.494
119 HG23 THR 16 HG23 THR 16 -4.181 -14.822 6.920
120 H CYS 17 H CYS 17 -4.695 -12.271 4.674
121 HA CYS 17 HA CYS 17 -5.395 -9.904 6.171
122 HB2 CYS 17 HB2 CYS 17 -7.130 -11.244 4.113
123 HB3 CYS 17 HB3 CYS 17 -7.111 -9.564 4.611
124 H SER 18 H SER 18 -6.604 -10.024 8.034
125 HA SER 18 HA SER 18 -7.908 -12.568 8.547
126 HB2 SER 18 HB2 SER 18 -8.009 -11.623 10.946
127 HB3 SER 18 HB3 SER 18 -6.428 -12.057 10.327
128 HG SER 18 HG SER 18 -7.215 -9.673 11.283
129 H GLY 19 H GLY 19 -10.096 -12.649 8.203
130 HA2 GLY 19 HA2 GLY 19 -12.275 -12.037 8.350
131 HA3 GLY 19 HA3 GLY 19 -11.809 -10.547 9.146
132 H GLU 20 H GLU 20 -9.775 -10.400 6.623
133 HA GLU 20 HA GLU 20 -11.749 -8.994 5.016
134 HB2 GLU 20 HB2 GLU 20 -8.738 -8.689 4.777
135 HB3 GLU 20 HB3 GLU 20 -9.983 -7.569 4.262
136 HG2 GLU 20 HG2 GLU 20 -10.553 -7.004 6.554
137 HG3 GLU 20 HG3 GLU 20 -9.593 -8.326 7.190
138 H THR 21 H THR 21 -11.522 -9.104 2.610
139 HA THR 21 HA THR 21 -10.118 -11.509 1.693
140 HB THR 21 HB THR 21 -12.302 -11.907 0.301
141 HG1 THR 21 HG1 THR 21 -13.643 -10.719 2.501
142 HG21 THR 21 HG21 THR 21 -12.307 -12.211 3.349
143 HG22 THR 21 HG22 THR 21 -13.511 -12.960 2.272
144 HG23 THR 21 HG23 THR 21 -11.800 -13.439 2.164
145 H ASN 22 H ASN 22 -9.925 -8.385 1.605
146 HA ASN 22 HA ASN 22 -9.497 -8.381 -1.270
147 HB2 ASN 22 HB2 ASN 22 -10.686 -6.097 0.393
148 HB3 ASN 22 HB3 ASN 22 -10.219 -5.950 -1.289
149 HD21 ASN 22 HD21 ASN 22 -12.397 -7.476 0.988
150 HD22 ASN 22 HD22 ASN 22 -13.640 -7.933 -0.129
151 H CYS 23 H CYS 23 -7.749 -6.801 -1.910
152 HA CYS 23 HA CYS 23 -6.022 -6.177 0.374
153 HB2 CYS 23 HB2 CYS 23 -5.146 -6.792 -2.454
154 HB3 CYS 23 HB3 CYS 23 -4.108 -6.476 -1.078
155 H TYR 24 H TYR 24 -5.213 -4.044 0.483
156 HA TYR 24 HA TYR 24 -6.186 -2.247 -1.637
157 HB2 TYR 24 HB2 TYR 24 -6.548 -0.661 0.184
158 HB3 TYR 24 HB3 TYR 24 -7.155 -2.187 0.794
159 HD1 TYR 24 HD2 TYR 24 -4.344 0.216 0.969
160 HD2 TYR 24 HD1 TYR 24 -6.107 -3.299 2.656
161 HE1 TYR 24 HE2 TYR 24 -2.795 0.393 2.977
162 HE2 TYR 24 HE1 TYR 24 -4.551 -3.109 4.658
163 HH TYR 24 HH TYR 24 -3.231 -0.736 5.693
164 H LYS 25 H LYS 25 -4.831 -0.407 -2.174
165 HA LYS 25 HA LYS 25 -2.096 -0.573 -1.175
166 HB2 LYS 25 HB2 LYS 25 -1.917 -1.920 -3.117
167 HB3 LYS 25 HB3 LYS 25 -2.932 -0.852 -4.064
168 HG2 LYS 25 HG2 LYS 25 -1.013 0.938 -3.389
169 HG3 LYS 25 HG3 LYS 25 -0.051 -0.521 -3.262
170 HD2 LYS 25 HD2 LYS 25 -1.523 0.539 -5.704
171 HD3 LYS 25 HD3 LYS 25 0.194 0.233 -5.531
172 HE2 LYS 25 HE2 LYS 25 -0.389 -1.694 -6.682
173 HE3 LYS 25 HE3 LYS 25 -0.646 -2.276 -5.050
174 HZ1 LYS 25 HZ1 LYS 25 -2.900 -0.917 -6.152
175 HZ2 LYS 25 HZ2 LYS 25 -2.492 -2.268 -6.974
176 HZ3 LYS 25 HZ3 LYS 25 -2.826 -2.353 -5.377
177 H LYS 26 H LYS 26 -1.542 1.401 -0.442
178 HA LYS 26 HA LYS 26 -2.922 3.686 -1.664
179 HB2 LYS 26 HB2 LYS 26 -1.689 3.506 1.099
180 HB3 LYS 26 HB3 LYS 26 -2.621 4.838 0.448
181 HG2 LYS 26 HG2 LYS 26 -4.651 3.568 0.423
182 HG3 LYS 26 HG3 LYS 26 -3.802 2.041 0.562
183 HD2 LYS 26 HD2 LYS 26 -4.978 3.153 2.688
184 HD3 LYS 26 HD3 LYS 26 -3.481 2.256 2.856
185 HE2 LYS 26 HE2 LYS 26 -3.417 4.471 4.038
186 HE3 LYS 26 HE3 LYS 26 -2.159 4.318 2.828
187 HZ1 LYS 26 HZ1 LYS 26 -4.200 5.351 1.436
188 HZ2 LYS 26 HZ2 LYS 26 -4.392 6.081 2.884
189 HZ3 LYS 26 HZ3 LYS 26 -2.977 6.221 2.082
190 H TRP 27 H TRP 27 -1.719 5.472 -2.378
191 HA TRP 27 HA TRP 27 1.108 5.556 -1.938
192 HB2 TRP 27 HB2 TRP 27 1.864 5.223 -4.154
193 HB3 TRP 27 HB3 TRP 27 0.927 3.815 -3.695
194 HD1 TRP 27 HD1 TRP 27 0.927 6.681 -6.215
195 HE1 TRP 27 HE1 TRP 27 -0.956 6.383 -8.039
196 HE3 TRP 27 HE3 TRP 27 -1.429 2.812 -3.906
197 HZ2 TRP 27 HZ2 TRP 27 -3.171 4.603 -8.305
198 HZ3 TRP 27 HZ3 TRP 27 -3.445 1.852 -5.014
199 HH2 TRP 27 HH2 TRP 27 -4.321 2.686 -7.139
200 H TRP 28 H TRP 28 1.890 7.673 -2.395
201 HA TRP 28 HA TRP 28 0.278 9.495 -3.903
202 HB2 TRP 28 HB2 TRP 28 -0.217 11.043 -2.120
203 HB3 TRP 28 HB3 TRP 28 -0.997 9.500 -1.836
204 HD1 TRP 28 HD1 TRP 28 1.444 11.900 -0.223
205 HE1 TRP 28 HE1 TRP 28 2.255 11.062 2.144
206 HE3 TRP 28 HE3 TRP 28 -0.474 7.210 -0.644
207 HZ2 TRP 28 HZ2 TRP 28 2.009 8.587 3.544
208 HZ3 TRP 28 HZ3 TRP 28 -0.144 5.645 1.268
209 HH2 TRP 28 HH2 TRP 28 1.048 6.268 3.309
210 H SER 29 H SER 29 1.403 11.789 -3.687
211 HA SER 29 HA SER 29 4.254 11.222 -3.621
212 HB2 SER 29 HB2 SER 29 4.554 12.911 -5.248
213 HB3 SER 29 HB3 SER 29 3.067 12.123 -5.739
214 HG SER 29 HG SER 29 3.485 14.727 -4.732
215 H ASP 30 H ASP 30 5.712 12.852 -2.647
216 HA ASP 30 HA ASP 30 4.380 14.787 -0.969
217 HB2 ASP 30 HB2 ASP 30 6.425 12.776 0.085
218 HB3 ASP 30 HB3 ASP 30 5.736 14.096 1.010
219 H HIS 31 H HIS 31 6.195 16.246 0.108
220 HA HIS 31 HA HIS 31 7.927 17.078 -1.943
221 HB2 HIS 31 HB2 HIS 31 7.836 17.842 0.989
222 HB3 HIS 31 HB3 HIS 31 8.747 18.687 -0.246
223 HD1 HIS 31 HD1 HIS 31 5.754 19.083 1.545
224 HD2 HIS 31 HD2 HIS 31 6.701 19.370 -2.531
225 HE1 HIS 31 HE1 HIS 31 3.913 20.494 0.481
226 HE2 HIS 31 HE2 HIS 31 4.578 20.681 -2.012
227 H ARG 32 H ARG 32 8.106 14.492 0.268
228 HA ARG 32 HA ARG 32 11.001 14.617 0.302
229 HB2 ARG 32 HB2 ARG 32 9.009 12.883 1.844
230 HB3 ARG 32 HB3 ARG 32 10.745 12.666 1.951
231 HG2 ARG 32 HG2 ARG 32 10.407 14.101 3.756
232 HG3 ARG 32 HG3 ARG 32 10.750 15.272 2.498
233 HD2 ARG 32 HD2 ARG 32 8.319 15.615 2.114
234 HD3 ARG 32 HD3 ARG 32 7.936 14.382 3.299
235 HE ARG 32 HE ARG 32 9.626 16.293 4.568
236 HH11 ARG 32 HH22 ARG 32 6.387 16.097 3.206
237 HH12 ARG 32 HH21 ARG 32 5.737 17.321 4.245
238 HH21 ARG 32 HH12 ARG 32 8.769 17.909 5.939
239 HH22 ARG 32 HH11 ARG 32 7.102 18.358 5.810
240 H GLY 33 H GLY 33 8.201 12.901 -1.014
241 HA2 GLY 33 HA2 GLY 33 9.294 11.766 -3.168
242 HA3 GLY 33 HA3 GLY 33 9.761 10.624 -1.924
243 H THR 34 H THR 34 8.276 9.314 -3.545
244 HA THR 34 HA THR 34 5.447 9.727 -3.035
245 HB THR 34 HB THR 34 7.124 7.896 -4.812
246 HG1 THR 34 HG1 THR 34 6.326 9.394 -6.306
247 HG21 THR 34 HG21 THR 34 5.276 6.463 -4.534
248 HG22 THR 34 HG22 THR 34 4.182 7.800 -4.106
249 HG23 THR 34 HG23 THR 34 4.656 7.546 -5.803
250 H ILE 35 H ILE 35 4.476 8.969 -1.272
251 HA ILE 35 HA ILE 35 5.757 6.780 0.143
252 HB ILE 35 HB ILE 35 3.460 8.601 0.868
253 HG12 ILE 35 HG12 ILE 35 6.397 8.601 1.587
254 HG13 ILE 35 HG13 ILE 35 5.477 9.868 0.801
255 HG21 ILE 35 HG21 ILE 35 3.731 7.675 3.150
256 HG22 ILE 35 HG22 ILE 35 3.159 6.474 1.967
257 HG23 ILE 35 HG23 ILE 35 4.858 6.462 2.496
258 HD11 ILE 35 HD11 ILE 35 4.049 10.036 2.907
259 HD12 ILE 35 HD12 ILE 35 5.195 8.917 3.684
260 HD13 ILE 35 HD13 ILE 35 5.752 10.510 3.119
261 H ILE 36 H ILE 36 4.901 4.727 0.364
262 HA ILE 36 HA ILE 36 2.300 4.279 -0.904
263 HB ILE 36 HB ILE 36 4.647 2.441 -1.317
264 HG12 ILE 36 HG12 ILE 36 3.725 4.676 -3.149
265 HG13 ILE 36 HG13 ILE 36 5.231 4.638 -2.253
266 HG21 ILE 36 HG21 ILE 36 1.987 1.993 -1.653
267 HG22 ILE 36 HG22 ILE 36 2.437 2.593 -3.266
268 HG23 ILE 36 HG23 ILE 36 3.275 1.183 -2.576
269 HD11 ILE 36 HD11 ILE 36 4.379 2.645 -4.404
270 HD12 ILE 36 HD12 ILE 36 5.623 3.908 -4.567
271 HD13 ILE 36 HD13 ILE 36 5.885 2.539 -3.461
272 H GLU 37 H GLU 37 0.935 3.083 0.336
273 HA GLU 37 HA GLU 37 2.174 1.474 2.417
274 HB2 GLU 37 HB2 GLU 37 1.521 3.262 3.760
275 HB3 GLU 37 HB3 GLU 37 0.170 3.692 2.731
276 HG2 GLU 37 HG2 GLU 37 -1.145 1.797 3.529
277 HG3 GLU 37 HG3 GLU 37 0.234 1.123 4.376
278 H ARG 38 H ARG 38 1.555 -0.615 2.090
279 HA ARG 38 HA ARG 38 -1.105 -0.985 0.966
280 HB2 ARG 38 HB2 ARG 38 1.225 -2.955 0.794
281 HB3 ARG 38 HB3 ARG 38 -0.284 -3.032 -0.093
282 HG2 ARG 38 HG2 ARG 38 0.276 -1.056 -1.395
283 HG3 ARG 38 HG3 ARG 38 1.645 -0.686 -0.365
284 HD2 ARG 38 HD2 ARG 38 2.989 -2.352 -1.301
285 HD3 ARG 38 HD3 ARG 38 1.631 -3.394 -1.679
286 HE ARG 38 HE ARG 38 1.138 -2.000 -3.627
287 HH11 ARG 38 HH22 ARG 38 4.152 -1.230 -1.981
288 HH12 ARG 38 HH21 ARG 38 4.828 -0.393 -3.339
289 HH21 ARG 38 HH12 ARG 38 2.030 -0.896 -5.418
290 HH22 ARG 38 HH11 ARG 38 3.613 -0.202 -5.307
291 H GLY 39 H GLY 39 -2.184 -3.114 1.654
292 HA2 GLY 39 HA2 GLY 39 -1.256 -4.597 3.858
293 HA3 GLY 39 HA3 GLY 39 -2.298 -3.315 4.443
294 H CYS 40 H CYS 40 -3.420 -5.569 5.043
295 HA CYS 40 HA CYS 40 -4.912 -6.652 2.833
296 HB2 CYS 40 HB2 CYS 40 -4.609 -7.340 5.737
297 HB3 CYS 40 HB3 CYS 40 -5.970 -7.972 4.831
298 H GLY 41 H GLY 41 -7.299 -6.617 2.786
299 HA2 GLY 41 HA2 GLY 41 -9.371 -5.844 3.513
300 HA3 GLY 41 HA3 GLY 41 -8.590 -4.667 4.550
301 H CYS 42 H CYS 42 -10.297 -3.237 3.453
302 HA CYS 42 HA CYS 42 -8.998 -1.954 1.200
303 HB2 CYS 42 HB2 CYS 42 -10.525 -3.411 0.072
304 HB3 CYS 42 HB3 CYS 42 -11.841 -2.972 1.143
305 HA PRO 43 HA PRO 43 -10.492 0.770 4.655
306 HB2 PRO 43 HB2 PRO 43 -8.161 2.195 4.760
307 HB3 PRO 43 HB3 PRO 43 -8.361 0.613 5.600
308 HG2 PRO 43 HG2 PRO 43 -7.118 1.213 2.935
309 HG3 PRO 43 HG3 PRO 43 -6.493 0.195 4.287
310 HD2 PRO 43 HD2 PRO 43 -7.727 -0.864 2.147
311 HD3 PRO 43 HD3 PRO 43 -7.933 -1.535 3.808
312 H LYS 44 H LYS 44 -10.203 3.362 4.682
313 HA LYS 44 HA LYS 44 -10.656 4.218 1.908
314 HB2 LYS 44 HB2 LYS 44 -12.675 4.222 3.367
315 HB3 LYS 44 HB3 LYS 44 -11.877 5.350 4.443
316 HG2 LYS 44 HG2 LYS 44 -13.147 6.761 3.028
317 HG3 LYS 44 HG3 LYS 44 -11.537 6.853 2.343
318 HD2 LYS 44 HD2 LYS 44 -12.911 6.483 0.449
319 HD3 LYS 44 HD3 LYS 44 -12.264 4.891 0.793
320 HE2 LYS 44 HE2 LYS 44 -14.894 5.740 2.045
321 HE3 LYS 44 HE3 LYS 44 -14.865 5.195 0.380
322 HZ1 LYS 44 HZ1 LYS 44 -13.387 3.354 1.676
323 HZ2 LYS 44 HZ2 LYS 44 -14.564 3.683 2.759
324 HZ3 LYS 44 HZ3 LYS 44 -14.955 3.182 1.255
325 H VAL 45 H VAL 45 -9.613 6.075 1.160
326 HA VAL 45 HA VAL 45 -7.604 7.141 3.023
327 HB VAL 45 HB VAL 45 -6.168 7.480 1.135
328 HG11 VAL 45 HG11 VAL 45 -7.367 4.690 1.166
329 HG12 VAL 45 HG12 VAL 45 -5.820 5.121 0.398
330 HG13 VAL 45 HG13 VAL 45 -6.018 5.294 2.159
331 HG21 VAL 45 HG21 VAL 45 -8.603 6.726 -0.458
332 HG22 VAL 45 HG22 VAL 45 -7.453 8.063 -0.699
333 HG23 VAL 45 HG23 VAL 45 -6.983 6.398 -1.117
334 H LYS 46 H LYS 46 -6.963 9.462 2.520
335 HA LYS 46 HA LYS 46 -9.409 10.962 2.150
336 HB2 LYS 46 HB2 LYS 46 -6.706 12.128 2.793
337 HB3 LYS 46 HB3 LYS 46 -8.297 12.745 3.193
338 HG2 LYS 46 HG2 LYS 46 -8.515 10.425 4.514
339 HG3 LYS 46 HG3 LYS 46 -6.764 10.478 4.475
340 HD2 LYS 46 HD2 LYS 46 -8.242 12.969 5.327
341 HD3 LYS 46 HD3 LYS 46 -8.157 11.634 6.458
342 HE2 LYS 46 HE2 LYS 46 -5.585 11.623 5.948
343 HE3 LYS 46 HE3 LYS 46 -5.853 13.204 5.242
344 HZ1 LYS 46 HZ1 LYS 46 -5.478 13.777 7.371
345 HZ2 LYS 46 HZ2 LYS 46 -7.090 13.549 7.504
346 HZ3 LYS 46 HZ3 LYS 46 -6.057 12.388 8.007
347 HA PRO 47 HA PRO 47 -8.900 12.639 -1.816
348 HB2 PRO 47 HB2 PRO 47 -8.430 15.326 -0.577
349 HB3 PRO 47 HB3 PRO 47 -9.653 14.818 -1.801
350 HG2 PRO 47 HG2 PRO 47 -10.358 15.229 0.715
351 HG3 PRO 47 HG3 PRO 47 -10.990 13.805 -0.193
352 HD2 PRO 47 HD2 PRO 47 -8.768 13.960 1.822
353 HD3 PRO 47 HD3 PRO 47 -10.096 12.750 1.667
354 H GLY 48 H GLY 48 -7.127 12.737 -3.255
355 HA2 GLY 48 HA2 GLY 48 -5.107 13.721 -3.972
356 HA3 GLY 48 HA3 GLY 48 -4.651 14.013 -2.305
357 H VAL 49 H VAL 49 -5.450 11.353 -1.285
358 HA VAL 49 HA VAL 49 -3.067 9.953 -2.087
359 HB VAL 49 HB VAL 49 -5.167 8.948 -0.188
360 HG11 VAL 49 HG11 VAL 49 -2.157 8.667 -0.411
361 HG12 VAL 49 HG12 VAL 49 -3.089 8.139 1.011
362 HG13 VAL 49 HG13 VAL 49 -3.395 7.400 -0.580
363 HG21 VAL 49 HG21 VAL 49 -5.016 10.847 0.998
364 HG22 VAL 49 HG22 VAL 49 -3.368 10.314 1.410
365 HG23 VAL 49 HG23 VAL 49 -3.628 11.432 0.049
366 H ASN 50 H ASN 50 -2.984 7.870 -3.057
367 HA ASN 50 HA ASN 50 -5.361 7.340 -4.623
368 HB2 ASN 50 HB2 ASN 50 -2.422 6.584 -4.880
369 HB3 ASN 50 HB3 ASN 50 -3.634 5.700 -5.786
370 HD21 ASN 50 HD21 ASN 50 -1.820 8.584 -5.472
371 HD22 ASN 50 HD22 ASN 50 -2.411 9.438 -6.858
372 H LEU 51 H LEU 51 -6.352 5.215 -4.585
373 HA LEU 51 HA LEU 51 -5.173 3.250 -2.790
374 HB2 LEU 51 HB2 LEU 51 -6.568 4.454 -1.297
375 HB3 LEU 51 HB3 LEU 51 -7.892 4.500 -2.445
376 HG LEU 51 HG LEU 51 -8.222 2.085 -2.213
377 HD11 LEU 51 HD11 LEU 51 -6.811 1.312 0.037
378 HD12 LEU 51 HD12 LEU 51 -6.459 0.845 -1.644
379 HD13 LEU 51 HD13 LEU 51 -5.614 2.228 -0.908
380 HD21 LEU 51 HD21 LEU 51 -8.676 4.057 -0.201
381 HD22 LEU 51 HD22 LEU 51 -9.645 2.619 -0.601
382 HD23 LEU 51 HD23 LEU 51 -8.334 2.503 0.598
383 H ASN 52 H ASN 52 -5.615 1.117 -3.392
384 HA ASN 52 HA ASN 52 -7.459 0.821 -5.612
385 HB2 ASN 52 HB2 ASN 52 -5.434 0.815 -6.843
386 HB3 ASN 52 HB3 ASN 52 -4.517 0.104 -5.530
387 HD21 ASN 52 HD21 ASN 52 -6.654 -0.451 -8.204
388 HD22 ASN 52 HD22 ASN 52 -6.514 -2.175 -8.296
389 H CYS 53 H CYS 53 -8.899 -0.802 -5.004
390 HA CYS 53 HA CYS 53 -7.905 -2.782 -3.090
391 HB2 CYS 53 HB2 CYS 53 -10.749 -1.879 -3.595
392 HB3 CYS 53 HB3 CYS 53 -10.256 -3.110 -2.449
393 H CYS 54 H CYS 54 -8.309 -5.023 -3.551
394 HA CYS 54 HA CYS 54 -9.728 -5.660 -5.975
395 HB2 CYS 54 HB2 CYS 54 -7.677 -7.124 -6.656
396 HB3 CYS 54 HB3 CYS 54 -7.795 -5.447 -7.153
397 H ARG 55 H ARG 55 -9.845 -8.165 -6.162
398 HA ARG 55 HA ARG 55 -9.821 -9.220 -3.451
399 HB2 ARG 55 HB2 ARG 55 -11.552 -9.975 -5.858
400 HB3 ARG 55 HB3 ARG 55 -11.589 -10.830 -4.329
401 HG2 ARG 55 HG2 ARG 55 -12.644 -9.079 -3.203
402 HG3 ARG 55 HG3 ARG 55 -11.928 -7.844 -4.220
403 HD2 ARG 55 HD2 ARG 55 -14.231 -9.712 -4.948
404 HD3 ARG 55 HD3 ARG 55 -14.307 -7.973 -4.747
405 HE ARG 55 HE ARG 55 -12.370 -8.399 -6.737
406 HH11 ARG 55 HH22 ARG 55 -15.787 -9.121 -6.308
407 HH12 ARG 55 HH21 ARG 55 -16.143 -9.062 -8.002
408 HH21 ARG 55 HH12 ARG 55 -12.839 -8.320 -8.972
409 HH22 ARG 55 HH11 ARG 55 -14.455 -8.603 -9.527
410 H THR 56 H THR 56 -7.385 -9.286 -4.777
411 HA THR 56 HA THR 56 -7.136 -12.142 -5.395
412 HB THR 56 HB THR 56 -5.367 -11.217 -7.155
413 HG1 THR 56 HG1 THR 56 -7.176 -9.135 -7.601
414 HG21 THR 56 HG21 THR 56 -8.381 -10.906 -7.619
415 HG22 THR 56 HG22 THR 56 -7.147 -10.979 -8.899
416 HG23 THR 56 HG23 THR 56 -7.449 -12.401 -7.872
417 H ASP 57 H ASP 57 -5.247 -13.133 -4.688
418 HA ASP 57 HA ASP 57 -4.129 -12.003 -2.436
419 HB2 ASP 57 HB2 ASP 57 -3.050 -14.205 -4.260
420 HB3 ASP 57 HB3 ASP 57 -2.441 -13.874 -2.651
421 H ARG 58 H ARG 58 -2.061 -10.964 -2.095
422 HA ARG 58 HA ARG 58 -0.548 -9.488 -2.628
423 HB2 ARG 58 HB2 ARG 58 0.386 -11.380 -4.821
424 HB3 ARG 58 HB3 ARG 58 1.368 -10.404 -3.747
425 HG2 ARG 58 HG2 ARG 58 0.268 -11.849 -1.826
426 HG3 ARG 58 HG3 ARG 58 -0.144 -12.959 -3.118
427 HD2 ARG 58 HD2 ARG 58 2.298 -13.005 -3.798
428 HD3 ARG 58 HD3 ARG 58 2.671 -11.989 -2.420
429 HE ARG 58 HE ARG 58 2.520 -13.872 -1.054
430 HH11 ARG 58 HH22 ARG 58 0.696 -14.478 -4.002
431 HH12 ARG 58 HH21 ARG 58 0.332 -16.121 -3.591
432 HH21 ARG 58 HH12 ARG 58 2.040 -16.039 -0.511
433 HH22 ARG 58 HH11 ARG 58 1.102 -17.015 -1.592
434 H CYS 59 H CYS 59 -3.042 -9.049 -4.056
435 HA CYS 59 HA CYS 59 -2.299 -8.401 -6.761
436 HB2 CYS 59 HB2 CYS 59 -4.575 -7.877 -7.118
437 HB3 CYS 59 HB3 CYS 59 -4.521 -9.353 -6.175
438 H ASN 60 H ASN 60 -2.434 -6.970 -3.560
439 HA ASN 60 HA ASN 60 -2.451 -4.302 -4.656
440 HB2 ASN 60 HB2 ASN 60 -2.605 -3.569 -2.305
441 HB3 ASN 60 HB3 ASN 60 -3.783 -4.836 -2.586
442 HD21 ASN 60 HD21 ASN 60 -2.068 -3.795 -0.252
443 HD22 ASN 60 HD22 ASN 60 -1.439 -5.223 0.499
444 H ASN 61 H ASN 61 -0.206 -5.624 -5.557
445 HA ASN 61 HA ASN 61 1.912 -5.323 -3.663
446 HB2 ASN 61 HB2 ASN 61 2.246 -7.175 -5.116
447 HB3 ASN 61 HB3 ASN 61 1.659 -6.308 -6.521
448 HD21 ASN 61 HD21 ASN 61 4.335 -7.411 -4.893
449 HD22 ASN 61 HD22 ASN 61 5.583 -6.479 -5.652
Start of MODEL 20
1 H1 LEU 1 H1 LEU 1 -5.732 -15.012 2.966
2 H2 LEU 1 H2 LEU 1 -5.734 -16.144 1.758
3 H3 LEU 1 H3 LEU 1 -7.121 -15.313 2.116
4 HA LEU 1 HA LEU 1 -5.387 -14.732 0.197
5 HB2 LEU 1 HB2 LEU 1 -7.660 -14.058 0.155
6 HB3 LEU 1 HB3 LEU 1 -7.481 -13.082 1.600
7 HG LEU 1 HG LEU 1 -5.771 -11.715 0.165
8 HD11 LEU 1 HD11 LEU 1 -6.450 -11.666 -2.252
9 HD12 LEU 1 HD12 LEU 1 -5.574 -13.129 -1.742
10 HD13 LEU 1 HD13 LEU 1 -7.339 -13.181 -1.967
11 HD21 LEU 1 HD21 LEU 1 -8.770 -11.632 0.077
12 HD22 LEU 1 HD22 LEU 1 -7.622 -10.548 0.899
13 HD23 LEU 1 HD23 LEU 1 -7.815 -10.466 -0.869
14 H GLU 2 H GLU 2 -3.605 -13.434 -0.138
15 HA GLU 2 HA GLU 2 -2.585 -12.178 2.288
16 HB2 GLU 2 HB2 GLU 2 -0.956 -13.092 -0.118
17 HB3 GLU 2 HB3 GLU 2 -0.338 -12.569 1.437
18 HG2 GLU 2 HG2 GLU 2 -0.249 -14.934 1.576
19 HG3 GLU 2 HG3 GLU 2 -1.707 -14.530 2.459
20 H CYS 3 H CYS 3 -1.637 -10.054 2.134
21 HA CYS 3 HA CYS 3 -2.039 -8.730 -0.434
22 HB2 CYS 3 HB2 CYS 3 -2.888 -7.452 2.164
23 HB3 CYS 3 HB3 CYS 3 -3.132 -6.853 0.536
24 H HIS 4 H HIS 4 -0.376 -7.242 -0.897
25 HA HIS 4 HA HIS 4 1.997 -7.505 0.525
26 HB2 HIS 4 HB2 HIS 4 0.996 -5.724 -1.665
27 HB3 HIS 4 HB3 HIS 4 2.508 -5.314 -0.881
28 HD1 HIS 4 HD1 HIS 4 4.545 -6.915 -1.249
29 HD2 HIS 4 HD2 HIS 4 1.055 -8.047 -3.283
30 HE1 HIS 4 HE1 HIS 4 5.247 -8.696 -2.936
31 HE2 HIS 4 HE2 HIS 4 3.052 -9.392 -4.118
32 H ASN 5 H ASN 5 3.136 -6.063 1.927
33 HA ASN 5 HA ASN 5 1.445 -3.973 3.044
34 HB2 ASN 5 HB2 ASN 5 1.991 -4.612 5.282
35 HB3 ASN 5 HB3 ASN 5 1.677 -6.140 4.484
36 HD21 ASN 5 HD21 ASN 5 3.512 -4.979 6.716
37 HD22 ASN 5 HD22 ASN 5 5.043 -5.740 6.438
38 H GLN 6 H GLN 6 3.919 -4.375 1.106
39 HA GLN 6 HA GLN 6 6.142 -3.362 2.443
40 HB2 GLN 6 HB2 GLN 6 7.023 -2.945 0.137
41 HB3 GLN 6 HB3 GLN 6 6.375 -4.561 0.336
42 HG2 GLN 6 HG2 GLN 6 4.174 -3.716 -0.643
43 HG3 GLN 6 HG3 GLN 6 4.971 -2.193 -0.985
44 HE21 GLN 6 HE21 GLN 6 7.511 -3.099 -1.671
45 HE22 GLN 6 HE22 GLN 6 7.447 -3.955 -3.175
46 H GLN 7 H GLN 7 7.022 -1.232 2.558
47 HA GLN 7 HA GLN 7 5.011 0.814 2.057
48 HB2 GLN 7 HB2 GLN 7 5.498 0.907 4.351
49 HB3 GLN 7 HB3 GLN 7 7.186 0.494 4.123
50 HG2 GLN 7 HG2 GLN 7 7.050 2.856 4.713
51 HG3 GLN 7 HG3 GLN 7 7.568 2.736 3.043
52 HE21 GLN 7 HE21 GLN 7 4.758 3.186 5.138
53 HE22 GLN 7 HE22 GLN 7 3.810 4.146 4.052
54 H SER 8 H SER 8 5.446 2.513 0.660
55 HA SER 8 HA SER 8 6.415 3.570 -0.974
56 HB2 SER 8 HB2 SER 8 8.998 3.259 0.616
57 HB3 SER 8 HB3 SER 8 8.651 4.501 -0.571
58 HG SER 8 HG SER 8 8.297 5.390 1.491
59 H SER 9 H SER 9 9.636 2.921 -1.185
60 HA SER 9 HA SER 9 9.155 0.949 -3.231
61 HB2 SER 9 HB2 SER 9 11.710 2.464 -2.533
62 HB3 SER 9 HB3 SER 9 11.461 1.482 -3.962
63 HG SER 9 HG SER 9 10.836 3.347 -4.830
64 H GLN 10 H GLN 10 9.656 0.856 0.027
65 HA GLN 10 HA GLN 10 11.828 -0.629 0.548
66 HB2 GLN 10 HB2 GLN 10 9.044 -1.025 1.734
67 HB3 GLN 10 HB3 GLN 10 10.539 -1.570 2.469
68 HG2 GLN 10 HG2 GLN 10 10.338 1.338 1.693
69 HG3 GLN 10 HG3 GLN 10 9.430 0.805 3.094
70 HE21 GLN 10 HE21 GLN 10 12.599 1.115 1.642
71 HE22 GLN 10 HE22 GLN 10 13.546 0.987 3.087
72 HA PRO 11 HA PRO 11 11.700 -4.709 -0.988
73 HB2 PRO 11 HB2 PRO 11 11.377 -5.713 1.816
74 HB3 PRO 11 HB3 PRO 11 12.626 -6.122 0.581
75 HG2 PRO 11 HG2 PRO 11 13.211 -4.526 2.608
76 HG3 PRO 11 HG3 PRO 11 13.778 -4.136 0.941
77 HD2 PRO 11 HD2 PRO 11 11.459 -3.015 2.486
78 HD3 PRO 11 HD3 PRO 11 12.691 -2.162 1.483
79 HA PRO 12 HA PRO 12 7.351 -5.590 -1.403
80 HB2 PRO 12 HB2 PRO 12 8.503 -8.120 -2.522
81 HB3 PRO 12 HB3 PRO 12 7.304 -6.981 -3.242
82 HG2 PRO 12 HG2 PRO 12 9.812 -7.005 -4.084
83 HG3 PRO 12 HG3 PRO 12 8.953 -5.444 -3.807
84 HD2 PRO 12 HD2 PRO 12 10.945 -6.869 -2.069
85 HD3 PRO 12 HD3 PRO 12 10.838 -5.121 -2.497
86 H THR 13 H THR 13 6.082 -6.369 0.309
87 HA THR 13 HA THR 13 6.823 -8.971 1.451
88 HB THR 13 HB THR 13 6.068 -7.799 3.696
89 HG1 THR 13 HG1 THR 13 5.437 -5.872 2.279
90 HG21 THR 13 HG21 THR 13 8.683 -7.049 2.285
91 HG22 THR 13 HG22 THR 13 8.360 -6.760 4.012
92 HG23 THR 13 HG23 THR 13 8.436 -8.425 3.387
93 H THR 14 H THR 14 4.921 -9.738 2.954
94 HA THR 14 HA THR 14 2.347 -8.875 1.909
95 HB THR 14 HB THR 14 1.907 -11.448 1.500
96 HG1 THR 14 HG1 THR 14 4.226 -12.175 0.689
97 HG21 THR 14 HG21 THR 14 3.020 -11.340 -0.793
98 HG22 THR 14 HG22 THR 14 1.975 -9.944 -0.438
99 HG23 THR 14 HG23 THR 14 3.743 -9.789 -0.304
100 H LYS 15 H LYS 15 0.522 -9.734 3.156
101 HA LYS 15 HA LYS 15 1.262 -10.932 5.693
102 HB2 LYS 15 HB2 LYS 15 1.368 -8.325 5.781
103 HB3 LYS 15 HB3 LYS 15 -0.382 -8.410 5.754
104 HG2 LYS 15 HG2 LYS 15 -0.031 -8.518 8.050
105 HG3 LYS 15 HG3 LYS 15 -0.016 -10.230 7.677
106 HD2 LYS 15 HD2 LYS 15 2.580 -8.681 7.542
107 HD3 LYS 15 HD3 LYS 15 1.947 -9.138 9.111
108 HE2 LYS 15 HE2 LYS 15 1.679 -11.536 7.898
109 HE3 LYS 15 HE3 LYS 15 2.957 -10.899 6.882
110 HZ1 LYS 15 HZ1 LYS 15 3.736 -10.283 9.398
111 HZ2 LYS 15 HZ2 LYS 15 3.089 -11.773 9.567
112 HZ3 LYS 15 HZ3 LYS 15 4.300 -11.524 8.500
113 H THR 16 H THR 16 -0.532 -11.966 6.750
114 HA THR 16 HA THR 16 -2.529 -12.820 4.870
115 HB THR 16 HB THR 16 -2.401 -13.478 7.840
116 HG1 THR 16 HG1 THR 16 -0.662 -14.918 7.204
117 HG21 THR 16 HG21 THR 16 -4.054 -14.865 6.946
118 HG22 THR 16 HG22 THR 16 -3.385 -14.764 5.300
119 HG23 THR 16 HG23 THR 16 -2.627 -15.833 6.504
120 H CYS 17 H CYS 17 -4.620 -12.222 4.672
121 HA CYS 17 HA CYS 17 -5.390 -9.902 6.199
122 HB2 CYS 17 HB2 CYS 17 -7.084 -11.256 4.116
123 HB3 CYS 17 HB3 CYS 17 -7.097 -9.580 4.627
124 H SER 18 H SER 18 -6.612 -10.063 8.051
125 HA SER 18 HA SER 18 -7.875 -12.636 8.526
126 HB2 SER 18 HB2 SER 18 -6.181 -11.643 10.177
127 HB3 SER 18 HB3 SER 18 -7.369 -10.407 10.540
128 HG SER 18 HG SER 18 -8.841 -12.060 11.246
129 H GLY 19 H GLY 19 -10.058 -12.746 8.163
130 HA2 GLY 19 HA2 GLY 19 -12.248 -12.169 8.312
131 HA3 GLY 19 HA3 GLY 19 -11.809 -10.677 9.119
132 H GLU 20 H GLU 20 -9.767 -10.492 6.601
133 HA GLU 20 HA GLU 20 -11.753 -9.099 4.999
134 HB2 GLU 20 HB2 GLU 20 -8.745 -8.764 4.759
135 HB3 GLU 20 HB3 GLU 20 -10.002 -7.651 4.257
136 HG2 GLU 20 HG2 GLU 20 -10.556 -7.081 6.539
137 HG3 GLU 20 HG3 GLU 20 -9.634 -8.428 7.179
138 H THR 21 H THR 21 -11.521 -9.193 2.592
139 HA THR 21 HA THR 21 -10.092 -11.578 1.662
140 HB THR 21 HB THR 21 -12.275 -11.991 0.269
141 HG1 THR 21 HG1 THR 21 -14.120 -11.002 1.384
142 HG21 THR 21 HG21 THR 21 -11.745 -13.533 2.116
143 HG22 THR 21 HG22 THR 21 -12.266 -12.324 3.314
144 HG23 THR 21 HG23 THR 21 -13.462 -13.080 2.233
145 H ASN 22 H ASN 22 -9.944 -8.449 1.589
146 HA ASN 22 HA ASN 22 -9.527 -8.424 -1.289
147 HB2 ASN 22 HB2 ASN 22 -10.712 -6.156 0.399
148 HB3 ASN 22 HB3 ASN 22 -10.266 -6.001 -1.289
149 HD21 ASN 22 HD21 ASN 22 -12.408 -7.547 1.010
150 HD22 ASN 22 HD22 ASN 22 -13.662 -8.007 -0.093
151 H CYS 23 H CYS 23 -7.795 -6.824 -1.929
152 HA CYS 23 HA CYS 23 -6.060 -6.196 0.349
153 HB2 CYS 23 HB2 CYS 23 -5.195 -6.829 -2.479
154 HB3 CYS 23 HB3 CYS 23 -4.148 -6.485 -1.116
155 H TYR 24 H TYR 24 -5.244 -4.062 0.440
156 HA TYR 24 HA TYR 24 -6.224 -2.278 -1.687
157 HB2 TYR 24 HB2 TYR 24 -6.672 -0.711 0.106
158 HB3 TYR 24 HB3 TYR 24 -7.181 -2.250 0.774
159 HD1 TYR 24 HD1 TYR 24 -4.550 0.342 0.848
160 HD2 TYR 24 HD2 TYR 24 -5.994 -3.276 2.617
161 HE1 TYR 24 HE1 TYR 24 -2.975 0.667 2.817
162 HE2 TYR 24 HE2 TYR 24 -4.414 -2.939 4.580
163 HH TYR 24 HH TYR 24 -2.213 -0.148 4.663
164 H LYS 25 H LYS 25 -4.860 -0.503 -2.303
165 HA LYS 25 HA LYS 25 -2.139 -0.621 -1.247
166 HB2 LYS 25 HB2 LYS 25 -1.942 -1.985 -3.175
167 HB3 LYS 25 HB3 LYS 25 -2.951 -0.926 -4.140
168 HG2 LYS 25 HG2 LYS 25 -1.155 0.906 -3.722
169 HG3 LYS 25 HG3 LYS 25 -0.132 -0.384 -3.121
170 HD2 LYS 25 HD2 LYS 25 0.219 0.135 -5.571
171 HD3 LYS 25 HD3 LYS 25 -0.182 -1.541 -5.257
172 HE2 LYS 25 HE2 LYS 25 -2.431 -1.278 -6.035
173 HE3 LYS 25 HE3 LYS 25 -2.368 0.468 -5.907
174 HZ1 LYS 25 HZ1 LYS 25 -0.367 -0.076 -7.602
175 HZ2 LYS 25 HZ2 LYS 25 -1.463 -1.212 -8.019
176 HZ3 LYS 25 HZ3 LYS 25 -1.873 0.368 -8.051
177 H LYS 26 H LYS 26 -1.615 1.360 -0.512
178 HA LYS 26 HA LYS 26 -2.976 3.631 -1.781
179 HB2 LYS 26 HB2 LYS 26 -1.710 3.829 0.925
180 HB3 LYS 26 HB3 LYS 26 -3.080 4.697 0.262
181 HG2 LYS 26 HG2 LYS 26 -4.490 2.678 0.400
182 HG3 LYS 26 HG3 LYS 26 -3.120 1.713 0.913
183 HD2 LYS 26 HD2 LYS 26 -3.073 2.651 3.060
184 HD3 LYS 26 HD3 LYS 26 -3.780 4.166 2.535
185 HE2 LYS 26 HE2 LYS 26 -5.904 2.617 2.002
186 HE3 LYS 26 HE3 LYS 26 -5.154 1.553 3.175
187 HZ1 LYS 26 HZ1 LYS 26 -5.023 4.031 4.286
188 HZ2 LYS 26 HZ2 LYS 26 -6.508 3.982 3.610
189 HZ3 LYS 26 HZ3 LYS 26 -6.066 2.842 4.692
190 H TRP 27 H TRP 27 -1.763 5.416 -2.481
191 HA TRP 27 HA TRP 27 1.063 5.482 -1.993
192 HB2 TRP 27 HB2 TRP 27 1.832 5.187 -4.210
193 HB3 TRP 27 HB3 TRP 27 0.879 3.778 -3.787
194 HD1 TRP 27 HD1 TRP 27 0.936 6.683 -6.257
195 HE1 TRP 27 HE1 TRP 27 -0.941 6.444 -8.097
196 HE3 TRP 27 HE3 TRP 27 -1.500 2.819 -4.022
197 HZ2 TRP 27 HZ2 TRP 27 -3.183 4.706 -8.404
198 HZ3 TRP 27 HZ3 TRP 27 -3.524 1.910 -5.158
199 HH2 TRP 27 HH2 TRP 27 -4.372 2.790 -7.274
200 H TRP 28 H TRP 28 1.881 7.596 -2.440
201 HA TRP 28 HA TRP 28 0.273 9.462 -3.899
202 HB2 TRP 28 HB2 TRP 28 -0.204 10.980 -2.098
203 HB3 TRP 28 HB3 TRP 28 -0.966 9.431 -1.799
204 HD1 TRP 28 HD1 TRP 28 1.636 11.788 -0.311
205 HE1 TRP 28 HE1 TRP 28 2.456 10.974 2.062
206 HE3 TRP 28 HE3 TRP 28 -0.596 7.224 -0.523
207 HZ2 TRP 28 HZ2 TRP 28 2.087 8.567 3.550
208 HZ3 TRP 28 HZ3 TRP 28 -0.317 5.703 1.431
209 HH2 TRP 28 HH2 TRP 28 0.970 6.310 3.419
210 H SER 29 H SER 29 1.431 11.727 -3.697
211 HA SER 29 HA SER 29 4.277 11.130 -3.636
212 HB2 SER 29 HB2 SER 29 3.692 11.929 -5.794
213 HB3 SER 29 HB3 SER 29 2.597 13.139 -5.158
214 HG SER 29 HG SER 29 4.229 14.507 -5.268
215 H ASP 30 H ASP 30 5.752 12.731 -2.658
216 HA ASP 30 HA ASP 30 4.447 14.704 -1.004
217 HB2 ASP 30 HB2 ASP 30 6.295 12.501 0.011
218 HB3 ASP 30 HB3 ASP 30 6.003 13.968 0.924
219 H HIS 31 H HIS 31 6.278 16.144 0.067
220 HA HIS 31 HA HIS 31 8.044 16.916 -1.982
221 HB2 HIS 31 HB2 HIS 31 6.912 18.238 0.003
222 HB3 HIS 31 HB3 HIS 31 8.373 17.801 0.866
223 HD1 HIS 31 HD1 HIS 31 9.304 20.203 0.953
224 HD2 HIS 31 HD2 HIS 31 8.563 18.824 -2.939
225 HE1 HIS 31 HE1 HIS 31 10.384 21.894 -0.623
226 HE2 HIS 31 HE2 HIS 31 9.943 20.965 -2.997
227 H ARG 32 H ARG 32 8.152 14.346 0.236
228 HA ARG 32 HA ARG 32 11.047 14.437 0.337
229 HB2 ARG 32 HB2 ARG 32 8.901 13.078 1.962
230 HB3 ARG 32 HB3 ARG 32 10.449 12.265 1.850
231 HG2 ARG 32 HG2 ARG 32 10.521 13.695 3.808
232 HG3 ARG 32 HG3 ARG 32 11.578 14.403 2.603
233 HD2 ARG 32 HD2 ARG 32 10.201 16.175 3.600
234 HD3 ARG 32 HD3 ARG 32 9.738 15.971 1.922
235 HE ARG 32 HE ARG 32 7.618 15.308 2.633
236 HH11 ARG 32 HH22 ARG 32 9.891 14.834 5.278
237 HH12 ARG 32 HH21 ARG 32 8.669 14.370 6.414
238 HH21 ARG 32 HH12 ARG 32 6.006 14.697 4.132
239 HH22 ARG 32 HH11 ARG 32 6.444 14.292 5.758
240 H GLY 33 H GLY 33 8.254 12.748 -1.034
241 HA2 GLY 33 HA2 GLY 33 9.368 11.602 -3.167
242 HA3 GLY 33 HA3 GLY 33 9.817 10.460 -1.916
243 H THR 34 H THR 34 8.347 9.153 -3.554
244 HA THR 34 HA THR 34 5.515 9.577 -3.089
245 HB THR 34 HB THR 34 7.223 7.745 -4.830
246 HG1 THR 34 HG1 THR 34 5.692 9.024 -6.342
247 HG21 THR 34 HG21 THR 34 4.724 6.972 -3.824
248 HG22 THR 34 HG22 THR 34 4.305 7.813 -5.335
249 HG23 THR 34 HG23 THR 34 5.420 6.426 -5.368
250 H ILE 35 H ILE 35 4.490 8.821 -1.357
251 HA ILE 35 HA ILE 35 5.739 6.627 0.092
252 HB ILE 35 HB ILE 35 3.494 8.519 0.799
253 HG12 ILE 35 HG12 ILE 35 6.422 8.406 1.540
254 HG13 ILE 35 HG13 ILE 35 5.548 9.715 0.769
255 HG21 ILE 35 HG21 ILE 35 3.064 6.440 1.907
256 HG22 ILE 35 HG22 ILE 35 4.767 6.288 2.402
257 HG23 ILE 35 HG23 ILE 35 3.750 7.573 3.097
258 HD11 ILE 35 HD11 ILE 35 5.271 8.745 3.643
259 HD12 ILE 35 HD12 ILE 35 5.810 10.344 3.077
260 HD13 ILE 35 HD13 ILE 35 4.107 9.861 2.889
261 H ILE 36 H ILE 36 4.856 4.589 0.283
262 HA ILE 36 HA ILE 36 2.250 4.198 -1.002
263 HB ILE 36 HB ILE 36 4.567 2.304 -1.340
264 HG12 ILE 36 HG12 ILE 36 3.697 4.516 -3.225
265 HG13 ILE 36 HG13 ILE 36 5.198 4.464 -2.322
266 HG21 ILE 36 HG21 ILE 36 2.550 1.171 -1.712
267 HG22 ILE 36 HG22 ILE 36 1.814 2.559 -2.548
268 HG23 ILE 36 HG23 ILE 36 3.113 1.631 -3.336
269 HD11 ILE 36 HD11 ILE 36 5.771 3.646 -4.485
270 HD12 ILE 36 HD12 ILE 36 5.634 2.182 -3.481
271 HD13 ILE 36 HD13 ILE 36 4.309 2.635 -4.580
272 H GLU 37 H GLU 37 0.827 3.245 0.348
273 HA GLU 37 HA GLU 37 1.986 1.620 2.476
274 HB2 GLU 37 HB2 GLU 37 -0.059 3.820 2.596
275 HB3 GLU 37 HB3 GLU 37 -0.282 2.456 3.673
276 HG2 GLU 37 HG2 GLU 37 2.347 2.862 4.136
277 HG3 GLU 37 HG3 GLU 37 1.944 4.485 3.611
278 H ARG 38 H ARG 38 1.422 -0.489 2.184
279 HA ARG 38 HA ARG 38 -1.190 -0.946 0.980
280 HB2 ARG 38 HB2 ARG 38 1.203 -2.849 0.931
281 HB3 ARG 38 HB3 ARG 38 -0.289 -3.023 0.027
282 HG2 ARG 38 HG2 ARG 38 0.212 -1.016 -1.301
283 HG3 ARG 38 HG3 ARG 38 1.615 -0.660 -0.313
284 HD2 ARG 38 HD2 ARG 38 2.903 -2.363 -1.266
285 HD3 ARG 38 HD3 ARG 38 1.515 -3.379 -1.602
286 HE ARG 38 HE ARG 38 1.103 -2.160 -3.614
287 HH11 ARG 38 HH22 ARG 38 3.800 -0.807 -1.803
288 HH12 ARG 38 HH21 ARG 38 4.373 0.152 -3.126
289 HH21 ARG 38 HH12 ARG 38 1.860 -0.895 -5.360
290 HH22 ARG 38 HH11 ARG 38 3.262 0.102 -5.163
291 H GLY 39 H GLY 39 -2.253 -3.071 1.697
292 HA2 GLY 39 HA2 GLY 39 -1.367 -4.480 3.964
293 HA3 GLY 39 HA3 GLY 39 -2.442 -3.199 4.486
294 H CYS 40 H CYS 40 -3.482 -5.533 5.085
295 HA CYS 40 HA CYS 40 -4.931 -6.646 2.868
296 HB2 CYS 40 HB2 CYS 40 -4.653 -7.307 5.780
297 HB3 CYS 40 HB3 CYS 40 -5.990 -7.972 4.864
298 H GLY 41 H GLY 41 -7.312 -6.655 2.770
299 HA2 GLY 41 HA2 GLY 41 -9.415 -5.926 3.450
300 HA3 GLY 41 HA3 GLY 41 -8.682 -4.737 4.508
301 H CYS 42 H CYS 42 -10.339 -3.285 3.424
302 HA CYS 42 HA CYS 42 -9.046 -2.017 1.158
303 HB2 CYS 42 HB2 CYS 42 -10.590 -3.448 0.034
304 HB3 CYS 42 HB3 CYS 42 -11.892 -3.023 1.126
305 HA PRO 43 HA PRO 43 -10.494 0.719 4.628
306 HB2 PRO 43 HB2 PRO 43 -8.140 2.108 4.736
307 HB3 PRO 43 HB3 PRO 43 -8.365 0.527 5.573
308 HG2 PRO 43 HG2 PRO 43 -7.112 1.113 2.910
309 HG3 PRO 43 HG3 PRO 43 -6.504 0.084 4.260
310 HD2 PRO 43 HD2 PRO 43 -7.753 -0.952 2.117
311 HD3 PRO 43 HD3 PRO 43 -7.970 -1.623 3.776
312 H LYS 44 H LYS 44 -10.147 3.309 4.659
313 HA LYS 44 HA LYS 44 -10.576 4.181 1.886
314 HB2 LYS 44 HB2 LYS 44 -12.181 5.767 2.681
315 HB3 LYS 44 HB3 LYS 44 -12.614 4.193 3.317
316 HG2 LYS 44 HG2 LYS 44 -11.167 4.915 5.411
317 HG3 LYS 44 HG3 LYS 44 -11.364 6.538 4.780
318 HD2 LYS 44 HD2 LYS 44 -13.697 4.643 5.326
319 HD3 LYS 44 HD3 LYS 44 -13.129 5.837 6.475
320 HE2 LYS 44 HE2 LYS 44 -13.792 7.668 5.101
321 HE3 LYS 44 HE3 LYS 44 -13.852 6.685 3.652
322 HZ1 LYS 44 HZ1 LYS 44 -15.624 6.025 5.861
323 HZ2 LYS 44 HZ2 LYS 44 -16.003 7.289 4.899
324 HZ3 LYS 44 HZ3 LYS 44 -15.842 5.795 4.259
325 H VAL 45 H VAL 45 -9.511 6.037 1.165
326 HA VAL 45 HA VAL 45 -7.507 7.062 3.055
327 HB VAL 45 HB VAL 45 -6.082 7.452 1.147
328 HG11 VAL 45 HG11 VAL 45 -5.724 5.078 0.409
329 HG12 VAL 45 HG12 VAL 45 -5.843 5.291 2.172
330 HG13 VAL 45 HG13 VAL 45 -7.227 4.644 1.258
331 HG21 VAL 45 HG21 VAL 45 -6.878 6.348 -1.090
332 HG22 VAL 45 HG22 VAL 45 -8.507 6.613 -0.423
333 HG23 VAL 45 HG23 VAL 45 -7.413 7.994 -0.674
334 H LYS 46 H LYS 46 -6.840 9.387 2.579
335 HA LYS 46 HA LYS 46 -9.271 10.917 2.268
336 HB2 LYS 46 HB2 LYS 46 -6.540 12.049 2.851
337 HB3 LYS 46 HB3 LYS 46 -8.113 12.678 3.299
338 HG2 LYS 46 HG2 LYS 46 -8.426 10.555 4.726
339 HG3 LYS 46 HG3 LYS 46 -6.737 10.200 4.426
340 HD2 LYS 46 HD2 LYS 46 -6.380 12.717 5.259
341 HD3 LYS 46 HD3 LYS 46 -7.943 12.473 6.013
342 HE2 LYS 46 HE2 LYS 46 -5.821 10.349 6.376
343 HE3 LYS 46 HE3 LYS 46 -5.682 11.835 7.295
344 HZ1 LYS 46 HZ1 LYS 46 -7.596 9.726 7.548
345 HZ2 LYS 46 HZ2 LYS 46 -7.058 10.785 8.668
346 HZ3 LYS 46 HZ3 LYS 46 -8.245 11.222 7.636
347 HA PRO 47 HA PRO 47 -8.846 12.620 -1.697
348 HB2 PRO 47 HB2 PRO 47 -8.326 15.293 -0.448
349 HB3 PRO 47 HB3 PRO 47 -9.583 14.804 -1.645
350 HG2 PRO 47 HG2 PRO 47 -10.223 15.199 0.891
351 HG3 PRO 47 HG3 PRO 47 -10.888 13.788 -0.014
352 HD2 PRO 47 HD2 PRO 47 -8.616 13.909 1.947
353 HD3 PRO 47 HD3 PRO 47 -9.956 12.710 1.815
354 H GLY 48 H GLY 48 -7.108 12.712 -3.176
355 HA2 GLY 48 HA2 GLY 48 -5.099 13.681 -3.938
356 HA3 GLY 48 HA3 GLY 48 -4.601 13.969 -2.282
357 H VAL 49 H VAL 49 -5.398 11.309 -1.251
358 HA VAL 49 HA VAL 49 -3.039 9.899 -2.103
359 HB VAL 49 HB VAL 49 -5.109 8.905 -0.166
360 HG11 VAL 49 HG11 VAL 49 -3.307 7.373 -0.682
361 HG12 VAL 49 HG12 VAL 49 -2.091 8.632 -0.357
362 HG13 VAL 49 HG13 VAL 49 -3.089 7.993 0.972
363 HG21 VAL 49 HG21 VAL 49 -4.910 10.790 1.031
364 HG22 VAL 49 HG22 VAL 49 -3.253 10.249 1.392
365 HG23 VAL 49 HG23 VAL 49 -3.548 11.374 0.045
366 H ASN 50 H ASN 50 -2.986 7.818 -3.081
367 HA ASN 50 HA ASN 50 -5.388 7.311 -4.612
368 HB2 ASN 50 HB2 ASN 50 -2.464 6.508 -4.898
369 HB3 ASN 50 HB3 ASN 50 -3.700 5.651 -5.797
370 HD21 ASN 50 HD21 ASN 50 -1.827 8.497 -5.490
371 HD22 ASN 50 HD22 ASN 50 -2.414 9.368 -6.866
372 H LEU 51 H LEU 51 -6.368 5.166 -4.607
373 HA LEU 51 HA LEU 51 -5.205 3.191 -2.824
374 HB2 LEU 51 HB2 LEU 51 -6.530 4.391 -1.277
375 HB3 LEU 51 HB3 LEU 51 -7.877 4.510 -2.393
376 HG LEU 51 HG LEU 51 -8.316 2.121 -2.195
377 HD11 LEU 51 HD11 LEU 51 -5.636 2.066 -1.109
378 HD12 LEU 51 HD12 LEU 51 -6.787 1.277 -0.004
379 HD13 LEU 51 HD13 LEU 51 -6.659 0.732 -1.694
380 HD21 LEU 51 HD21 LEU 51 -9.635 2.679 -0.504
381 HD22 LEU 51 HD22 LEU 51 -8.282 2.439 0.627
382 HD23 LEU 51 HD23 LEU 51 -8.566 4.042 -0.093
383 H ASN 52 H ASN 52 -5.675 1.077 -3.447
384 HA ASN 52 HA ASN 52 -7.605 0.819 -5.598
385 HB2 ASN 52 HB2 ASN 52 -5.620 0.825 -6.900
386 HB3 ASN 52 HB3 ASN 52 -4.666 0.073 -5.636
387 HD21 ASN 52 HD21 ASN 52 -7.828 -0.811 -6.994
388 HD22 ASN 52 HD22 ASN 52 -7.395 -2.388 -7.563
389 H CYS 53 H CYS 53 -9.015 -0.834 -4.999
390 HA CYS 53 HA CYS 53 -7.979 -2.811 -3.105
391 HB2 CYS 53 HB2 CYS 53 -10.847 -1.980 -3.593
392 HB3 CYS 53 HB3 CYS 53 -10.301 -3.165 -2.424
393 H CYS 54 H CYS 54 -8.386 -5.060 -3.557
394 HA CYS 54 HA CYS 54 -9.811 -5.717 -5.965
395 HB2 CYS 54 HB2 CYS 54 -7.748 -7.126 -6.704
396 HB3 CYS 54 HB3 CYS 54 -7.902 -5.445 -7.176
397 H ARG 55 H ARG 55 -9.893 -8.216 -6.156
398 HA ARG 55 HA ARG 55 -9.772 -9.286 -3.453
399 HB2 ARG 55 HB2 ARG 55 -11.556 -10.067 -5.814
400 HB3 ARG 55 HB3 ARG 55 -11.538 -10.920 -4.283
401 HG2 ARG 55 HG2 ARG 55 -12.590 -9.184 -3.132
402 HG3 ARG 55 HG3 ARG 55 -11.924 -7.939 -4.171
403 HD2 ARG 55 HD2 ARG 55 -13.441 -8.901 -6.047
404 HD3 ARG 55 HD3 ARG 55 -14.239 -9.824 -4.789
405 HE ARG 55 HE ARG 55 -14.217 -7.218 -3.800
406 HH11 ARG 55 HH22 ARG 55 -15.408 -8.757 -6.732
407 HH12 ARG 55 HH21 ARG 55 -16.696 -7.621 -6.958
408 HH21 ARG 55 HH12 ARG 55 -15.916 -5.719 -4.097
409 HH22 ARG 55 HH11 ARG 55 -16.986 -5.881 -5.449
410 H THR 56 H THR 56 -7.375 -9.300 -4.852
411 HA THR 56 HA THR 56 -7.106 -12.145 -5.531
412 HB THR 56 HB THR 56 -5.345 -11.139 -7.263
413 HG1 THR 56 HG1 THR 56 -6.670 -9.047 -7.962
414 HG21 THR 56 HG21 THR 56 -8.372 -10.914 -7.689
415 HG22 THR 56 HG22 THR 56 -7.158 -10.850 -8.989
416 HG23 THR 56 HG23 THR 56 -7.372 -12.343 -8.044
417 H ASP 57 H ASP 57 -5.194 -13.141 -4.882
418 HA ASP 57 HA ASP 57 -4.085 -12.111 -2.585
419 HB2 ASP 57 HB2 ASP 57 -2.925 -14.164 -4.529
420 HB3 ASP 57 HB3 ASP 57 -2.371 -13.928 -2.883
421 H ARG 58 H ARG 58 -2.080 -10.995 -2.192
422 HA ARG 58 HA ARG 58 -0.631 -9.430 -2.661
423 HB2 ARG 58 HB2 ARG 58 0.430 -11.255 -4.855
424 HB3 ARG 58 HB3 ARG 58 1.349 -10.239 -3.762
425 HG2 ARG 58 HG2 ARG 58 0.292 -11.739 -1.862
426 HG3 ARG 58 HG3 ARG 58 -0.058 -12.860 -3.162
427 HD2 ARG 58 HD2 ARG 58 2.260 -13.162 -3.691
428 HD3 ARG 58 HD3 ARG 58 2.739 -11.717 -2.824
429 HE ARG 58 HE ARG 58 1.482 -13.494 -0.969
430 HH11 ARG 58 HH22 ARG 58 4.423 -13.245 -2.886
431 HH12 ARG 58 HH21 ARG 58 5.369 -14.198 -1.792
432 HH21 ARG 58 HH12 ARG 58 2.730 -14.751 0.475
433 HH22 ARG 58 HH11 ARG 58 4.400 -15.060 0.133
434 H CYS 59 H CYS 59 -3.083 -9.001 -4.105
435 HA CYS 59 HA CYS 59 -2.328 -8.316 -6.800
436 HB2 CYS 59 HB2 CYS 59 -4.611 -7.821 -7.170
437 HB3 CYS 59 HB3 CYS 59 -4.538 -9.311 -6.251
438 H ASN 60 H ASN 60 -2.489 -6.930 -3.587
439 HA ASN 60 HA ASN 60 -2.567 -4.247 -4.643
440 HB2 ASN 60 HB2 ASN 60 -2.741 -3.548 -2.291
441 HB3 ASN 60 HB3 ASN 60 -3.865 -4.865 -2.562
442 HD21 ASN 60 HD21 ASN 60 -2.114 -3.742 -0.267
443 HD22 ASN 60 HD22 ASN 60 -1.430 -5.149 0.476
444 H ASN 61 H ASN 61 -0.300 -5.551 -5.562
445 HA ASN 61 HA ASN 61 1.823 -5.182 -3.680
446 HB2 ASN 61 HB2 ASN 61 2.054 -7.083 -5.157
447 HB3 ASN 61 HB3 ASN 61 1.660 -6.131 -6.575
448 HD21 ASN 61 HD21 ASN 61 3.252 -5.442 -7.782
449 HD22 ASN 61 HD22 ASN 61 4.916 -5.276 -7.328
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