Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
611059 | 2nb9 RC | 25967 | cing | 1-original | 6 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 H1 MET 1 H1 MET 1 2.294 -0.958 -0.603
2 H2 MET 1 H2 MET 1 3.682 -0.284 -0.041
3 H3 MET 1 H3 MET 1 3.497 -1.920 -0.013
4 HA MET 1 HA MET 1 3.520 -2.065 -2.366
5 HB2 MET 1 HB2 MET 1 3.874 -0.084 -3.742
6 HB3 MET 1 HB3 MET 1 2.393 0.080 -2.782
7 HG2 MET 1 HG2 MET 1 3.744 1.383 -1.085
8 HG3 MET 1 HG3 MET 1 5.096 1.364 -2.220
9 HE1 MET 1 HE1 MET 1 3.736 3.493 -5.206
10 HE2 MET 1 HE2 MET 1 5.090 2.539 -4.556
11 HE3 MET 1 HE3 MET 1 3.583 1.728 -5.049
12 H ILE 2 H ILE 2 5.577 -1.804 -3.735
13 HA ILE 2 HA ILE 2 7.932 -1.264 -2.024
14 HB ILE 2 HB ILE 2 7.073 -3.756 -2.072
15 HG12 ILE 2 HG12 ILE 2 10.001 -3.248 -2.652
16 HG13 ILE 2 HG13 ILE 2 9.221 -2.751 -1.136
17 HG21 ILE 2 HG21 ILE 2 8.020 -5.115 -3.866
18 HG22 ILE 2 HG22 ILE 2 6.982 -3.870 -4.591
19 HG23 ILE 2 HG23 ILE 2 8.753 -3.681 -4.614
20 HD11 ILE 2 HD11 ILE 2 9.311 -5.604 -2.203
21 HD12 ILE 2 HD12 ILE 2 10.288 -4.954 -0.871
22 HD13 ILE 2 HD13 ILE 2 8.525 -5.065 -0.696
23 H LEU 3 H LEU 3 9.840 -0.763 -3.176
24 HA LEU 3 HA LEU 3 9.526 -0.366 -6.109
25 HB2 LEU 3 HB2 LEU 3 10.564 1.621 -4.053
26 HB3 LEU 3 HB3 LEU 3 10.648 1.848 -5.807
27 HG LEU 3 HG LEU 3 8.025 1.430 -4.301
28 HD11 LEU 3 HD11 LEU 3 9.173 3.487 -3.544
29 HD12 LEU 3 HD12 LEU 3 9.339 4.007 -5.241
30 HD13 LEU 3 HD13 LEU 3 7.722 3.854 -4.511
31 HD21 LEU 3 HD21 LEU 3 7.962 0.911 -6.726
32 HD22 LEU 3 HD22 LEU 3 7.068 2.404 -6.374
33 HD23 LEU 3 HD23 LEU 3 8.693 2.496 -7.083
34 H THR 4 H THR 4 11.462 -0.474 -7.301
35 HA THR 4 HA THR 4 13.728 -1.626 -5.795
36 HB THR 4 HB THR 4 13.451 -1.816 -8.775
37 HG1 THR 4 HG1 THR 4 12.322 -3.728 -8.425
38 HG21 THR 4 HG21 THR 4 14.712 -3.604 -6.651
39 HG22 THR 4 HG22 THR 4 14.754 -3.873 -8.410
40 HG23 THR 4 HG23 THR 4 15.593 -2.474 -7.703
41 H CYS 5 H CYS 5 15.731 -0.766 -5.761
42 HA CYS 5 HA CYS 5 15.990 1.980 -6.634
43 HB2 CYS 5 HB2 CYS 5 16.956 1.177 -4.526
44 HB3 CYS 5 HB3 CYS 5 17.988 0.040 -5.427
45 HA PRO 6 HA PRO 6 17.729 1.027 -10.649
46 HB2 PRO 6 HB2 PRO 6 18.893 3.767 -10.441
47 HB3 PRO 6 HB3 PRO 6 17.828 3.089 -11.714
48 HG2 PRO 6 HG2 PRO 6 16.910 4.894 -9.869
49 HG3 PRO 6 HG3 PRO 6 15.892 3.545 -10.469
50 HD2 PRO 6 HD2 PRO 6 17.423 3.730 -7.872
51 HD3 PRO 6 HD3 PRO 6 15.782 3.084 -8.192
52 H GLU 7 H GLU 7 19.461 2.006 -7.780
53 HA GLU 7 HA GLU 7 22.077 1.415 -9.096
54 HB2 GLU 7 HB2 GLU 7 21.456 3.026 -6.593
55 HB3 GLU 7 HB3 GLU 7 23.065 2.775 -7.287
56 HG2 GLU 7 HG2 GLU 7 20.727 4.139 -8.696
57 HG3 GLU 7 HG3 GLU 7 22.062 4.982 -7.888
58 H CYS 8 H CYS 8 20.158 0.833 -6.099
59 HA CYS 8 HA CYS 8 22.170 -1.056 -5.128
60 HB2 CYS 8 HB2 CYS 8 19.345 -0.498 -4.119
61 HB3 CYS 8 HB3 CYS 8 20.579 -1.476 -3.307
62 H ALA 9 H ALA 9 19.504 -1.159 -7.301
63 HA ALA 9 HA ALA 9 18.360 -2.821 -8.325
64 HB1 ALA 9 HB1 ALA 9 19.666 -4.782 -9.009
65 HB2 ALA 9 HB2 ALA 9 20.621 -3.292 -9.172
66 HB3 ALA 9 HB3 ALA 9 20.913 -4.390 -7.802
67 H SER 10 H SER 10 17.808 -2.478 -5.570
68 HA SER 10 HA SER 10 16.982 -5.226 -4.799
69 HB2 SER 10 HB2 SER 10 19.102 -4.591 -3.636
70 HB3 SER 10 HB3 SER 10 18.266 -3.195 -2.937
71 HG SER 10 HG SER 10 18.234 -5.034 -1.554
72 H ARG 11 H ARG 11 15.164 -5.243 -3.302
73 HA ARG 11 HA ARG 11 13.293 -3.090 -3.999
74 HB2 ARG 11 HB2 ARG 11 12.912 -5.713 -2.509
75 HB3 ARG 11 HB3 ARG 11 11.622 -4.589 -2.983
76 HG2 ARG 11 HG2 ARG 11 12.369 -4.838 -5.379
77 HG3 ARG 11 HG3 ARG 11 13.495 -6.107 -4.839
78 HD2 ARG 11 HD2 ARG 11 11.589 -7.374 -3.894
79 HD3 ARG 11 HD3 ARG 11 10.474 -6.116 -4.444
80 HE ARG 11 HE ARG 11 11.784 -8.179 -6.068
81 HH11 ARG 11 HH11 ARG 11 10.137 -5.048 -6.102
82 HH12 ARG 11 HH12 ARG 11 9.634 -5.196 -7.771
83 HH21 ARG 11 HH21 ARG 11 11.123 -8.343 -8.247
84 HH22 ARG 11 HH22 ARG 11 10.199 -7.055 -8.982
85 H TYR 12 H TYR 12 12.032 -1.940 -2.518
86 HA TYR 12 HA TYR 12 12.636 -2.074 0.332
87 HB2 TYR 12 HB2 TYR 12 14.390 -0.609 -0.254
88 HB3 TYR 12 HB3 TYR 12 13.365 0.300 -1.367
89 HD1 TYR 12 HD2 TYR 12 14.135 -0.318 2.193
90 HD2 TYR 12 HD1 TYR 12 11.881 2.039 -0.604
91 HE1 TYR 12 HE2 TYR 12 13.624 1.314 3.993
92 HE2 TYR 12 HE1 TYR 12 11.376 3.688 1.185
93 HH TYR 12 HH TYR 12 11.650 4.244 3.391
94 H PHE 13 H PHE 13 10.934 -1.464 1.619
95 HA PHE 13 HA PHE 13 8.498 -0.970 0.030
96 HB2 PHE 13 HB2 PHE 13 7.334 -2.032 2.050
97 HB3 PHE 13 HB3 PHE 13 8.226 -3.036 0.911
98 HD1 PHE 13 HD1 PHE 13 8.316 -1.544 4.303
99 HD2 PHE 13 HD2 PHE 13 10.202 -4.254 1.543
100 HE1 PHE 13 HE1 PHE 13 9.673 -2.484 6.153
101 HE2 PHE 13 HE2 PHE 13 11.577 -5.175 3.390
102 HZ PHE 13 HZ PHE 13 11.305 -4.296 5.698
103 H VAL 14 H VAL 14 6.788 0.276 0.599
104 HA VAL 14 HA VAL 14 7.055 2.085 2.901
105 HB VAL 14 HB VAL 14 6.670 4.078 1.549
106 HG11 VAL 14 HG11 VAL 14 9.028 2.521 0.400
107 HG12 VAL 14 HG12 VAL 14 8.834 4.282 0.434
108 HG13 VAL 14 HG13 VAL 14 9.031 3.388 1.955
109 HG21 VAL 14 HG21 VAL 14 5.412 3.064 -0.302
110 HG22 VAL 14 HG22 VAL 14 6.793 4.001 -0.916
111 HG23 VAL 14 HG23 VAL 14 6.884 2.228 -0.859
112 H ASP 15 H ASP 15 5.005 3.306 3.272
113 HA ASP 15 HA ASP 15 2.745 1.581 2.973
114 HB2 ASP 15 HB2 ASP 15 2.956 4.483 3.839
115 HB3 ASP 15 HB3 ASP 15 1.477 3.520 3.922
116 H ASP 16 H ASP 16 0.755 1.928 1.842
117 HA ASP 16 HA ASP 16 1.188 2.687 -0.880
118 HB2 ASP 16 HB2 ASP 16 -1.340 2.057 0.673
119 HB3 ASP 16 HB3 ASP 16 -1.285 2.285 -1.083
120 H SER 17 H SER 17 0.474 4.618 1.853
121 HA SER 17 HA SER 17 -1.045 6.639 0.403
122 HB2 SER 17 HB2 SER 17 0.283 6.630 3.145
123 HB3 SER 17 HB3 SER 17 -0.791 7.907 2.537
124 HG SER 17 HG SER 17 -2.452 6.423 2.419
125 H LYS 18 H LYS 18 2.248 5.772 0.533
126 HA LYS 18 HA LYS 18 3.335 8.484 0.456
127 HB2 LYS 18 HB2 LYS 18 4.616 5.791 -0.129
128 HB3 LYS 18 HB3 LYS 18 5.476 7.326 0.090
129 HG2 LYS 18 HG2 LYS 18 3.772 5.928 2.206
130 HG3 LYS 18 HG3 LYS 18 5.542 5.980 2.151
131 HD2 LYS 18 HD2 LYS 18 5.456 8.467 2.330
132 HD3 LYS 18 HD3 LYS 18 3.686 8.379 2.483
133 HE2 LYS 18 HE2 LYS 18 3.926 6.951 4.488
134 HE3 LYS 18 HE3 LYS 18 5.689 7.037 4.343
135 HZ1 LYS 18 HZ1 LYS 18 3.900 9.339 4.765
136 HZ2 LYS 18 HZ2 LYS 18 4.833 8.627 5.917
137 HZ3 LYS 18 HZ3 LYS 18 5.541 9.410 4.657
138 H VAL 19 H VAL 19 1.756 6.537 -1.833
139 HA VAL 19 HA VAL 19 2.818 8.219 -4.017
140 HB VAL 19 HB VAL 19 2.609 5.203 -4.252
141 HG11 VAL 19 HG11 VAL 19 3.824 5.623 -6.397
142 HG12 VAL 19 HG12 VAL 19 2.214 6.366 -6.370
143 HG13 VAL 19 HG13 VAL 19 3.674 7.367 -6.116
144 HG21 VAL 19 HG21 VAL 19 4.520 5.754 -2.818
145 HG22 VAL 19 HG22 VAL 19 5.110 5.280 -4.419
146 HG23 VAL 19 HG23 VAL 19 5.067 6.997 -3.972
147 H GLY 20 H GLY 20 1.358 8.569 -5.721
148 HA2 GLY 20 HA2 GLY 20 -1.391 7.453 -5.334
149 HA3 GLY 20 HA3 GLY 20 -1.109 9.166 -5.676
150 HA PRO 21 HA PRO 21 -1.579 6.774 -9.662
151 HB2 PRO 21 HB2 PRO 21 -3.753 8.135 -10.649
152 HB3 PRO 21 HB3 PRO 21 -3.895 6.726 -9.554
153 HG2 PRO 21 HG2 PRO 21 -4.062 9.668 -8.859
154 HG3 PRO 21 HG3 PRO 21 -5.089 8.318 -8.276
155 HD2 PRO 21 HD2 PRO 21 -2.972 9.360 -6.843
156 HD3 PRO 21 HD3 PRO 21 -3.475 7.649 -6.714
157 H ASP 22 H ASP 22 -1.390 10.133 -8.665
158 HA ASP 22 HA ASP 22 -0.601 11.121 -11.313
159 HB2 ASP 22 HB2 ASP 22 -1.859 12.435 -9.506
160 HB3 ASP 22 HB3 ASP 22 -0.358 12.430 -8.566
161 H GLY 23 H GLY 23 0.832 9.221 -8.918
162 HA2 GLY 23 HA2 GLY 23 3.000 8.481 -8.727
163 HA3 GLY 23 HA3 GLY 23 3.517 9.662 -9.943
164 H ARG 24 H ARG 24 5.031 9.139 -7.665
165 HA ARG 24 HA ARG 24 5.207 11.818 -6.523
166 HB2 ARG 24 HB2 ARG 24 3.532 10.689 -5.037
167 HB3 ARG 24 HB3 ARG 24 4.719 9.400 -4.738
168 HG2 ARG 24 HG2 ARG 24 4.698 10.999 -2.884
169 HG3 ARG 24 HG3 ARG 24 6.262 11.042 -3.718
170 HD2 ARG 24 HD2 ARG 24 5.563 13.066 -4.955
171 HD3 ARG 24 HD3 ARG 24 3.968 12.987 -4.183
172 HE ARG 24 HE ARG 24 6.463 13.292 -2.561
173 HH11 ARG 24 HH11 ARG 24 3.270 14.462 -3.543
174 HH12 ARG 24 HH12 ARG 24 3.224 15.710 -2.321
175 HH21 ARG 24 HH21 ARG 24 6.376 14.931 -0.980
176 HH22 ARG 24 HH22 ARG 24 4.976 15.972 -0.874
177 H VAL 25 H VAL 25 7.309 12.241 -5.765
178 HA VAL 25 HA VAL 25 9.326 10.388 -6.713
179 HB VAL 25 HB VAL 25 9.460 12.886 -6.903
180 HG11 VAL 25 HG11 VAL 25 10.220 14.165 -4.959
181 HG12 VAL 25 HG12 VAL 25 8.644 13.414 -4.618
182 HG13 VAL 25 HG13 VAL 25 10.135 12.707 -3.940
183 HG21 VAL 25 HG21 VAL 25 11.453 11.412 -7.132
184 HG22 VAL 25 HG22 VAL 25 11.856 12.998 -6.435
185 HG23 VAL 25 HG23 VAL 25 11.748 11.575 -5.379
186 H VAL 26 H VAL 26 10.950 9.337 -5.526
187 HA VAL 26 HA VAL 26 10.491 9.113 -2.607
188 HB VAL 26 HB VAL 26 10.579 6.751 -2.629
189 HG11 VAL 26 HG11 VAL 26 8.839 7.553 -5.002
190 HG12 VAL 26 HG12 VAL 26 8.662 6.102 -3.994
191 HG13 VAL 26 HG13 VAL 26 8.381 7.709 -3.289
192 HG21 VAL 26 HG21 VAL 26 11.193 6.912 -5.608
193 HG22 VAL 26 HG22 VAL 26 12.341 6.452 -4.334
194 HG23 VAL 26 HG23 VAL 26 10.940 5.421 -4.685
195 H ARG 27 H ARG 27 12.377 7.826 -1.565
196 HA ARG 27 HA ARG 27 14.943 8.484 -2.903
197 HB2 ARG 27 HB2 ARG 27 14.385 10.383 -1.451
198 HB3 ARG 27 HB3 ARG 27 14.142 9.283 -0.078
199 HG2 ARG 27 HG2 ARG 27 16.513 8.593 -0.181
200 HG3 ARG 27 HG3 ARG 27 16.759 9.627 -1.603
201 HD2 ARG 27 HD2 ARG 27 17.569 10.780 0.367
202 HD3 ARG 27 HD3 ARG 27 16.124 11.610 -0.226
203 HE ARG 27 HE ARG 27 16.264 9.806 2.163
204 HH11 ARG 27 HH11 ARG 27 14.638 12.370 0.339
205 HH12 ARG 27 HH12 ARG 27 13.503 12.722 1.623
206 HH21 ARG 27 HH21 ARG 27 14.774 10.281 3.810
207 HH22 ARG 27 HH22 ARG 27 13.579 11.536 3.586
208 H CYS 28 H CYS 28 16.587 7.081 -2.504
209 HA CYS 28 HA CYS 28 15.865 4.488 -1.449
210 HB2 CYS 28 HB2 CYS 28 17.324 4.905 -3.445
211 HB3 CYS 28 HB3 CYS 28 18.564 5.581 -2.374
212 H ALA 29 H ALA 29 16.388 3.571 0.477
213 HA ALA 29 HA ALA 29 17.528 5.263 2.568
214 HB1 ALA 29 HB1 ALA 29 16.664 2.345 2.553
215 HB2 ALA 29 HB2 ALA 29 17.062 3.302 3.996
216 HB3 ALA 29 HB3 ALA 29 15.643 3.732 3.012
217 H SER 30 H SER 30 18.858 3.316 0.102
218 HA SER 30 HA SER 30 21.106 2.432 1.839
219 HB2 SER 30 HB2 SER 30 19.929 1.291 -0.705
220 HB3 SER 30 HB3 SER 30 21.475 0.751 -0.008
221 HG SER 30 HG SER 30 18.925 0.712 1.240
222 H CYS 31 H CYS 31 20.332 4.517 -0.880
223 HA CYS 31 HA CYS 31 23.193 5.217 -0.939
224 HB2 CYS 31 HB2 CYS 31 23.478 4.980 -3.295
225 HB3 CYS 31 HB3 CYS 31 22.870 3.436 -2.658
226 H GLY 32 H GLY 32 19.972 6.212 -0.920
227 HA2 GLY 32 HA2 GLY 32 19.229 8.367 -0.627
228 HA3 GLY 32 HA3 GLY 32 20.856 8.975 -1.002
229 H ASN 33 H ASN 33 19.981 6.858 -3.462
230 HA ASN 33 HA ASN 33 19.705 8.870 -5.446
231 HB2 ASN 33 HB2 ASN 33 20.443 6.482 -5.763
232 HB3 ASN 33 HB3 ASN 33 18.762 5.977 -5.523
233 HD21 ASN 33 HD22 ASN 33 18.613 5.091 -7.632
234 HD22 ASN 33 HD21 ASN 33 18.505 6.113 -9.050
235 H ARG 34 H ARG 34 17.824 9.445 -6.731
236 HA ARG 34 HA ARG 34 15.219 8.998 -5.360
237 HB2 ARG 34 HB2 ARG 34 16.210 11.668 -6.418
238 HB3 ARG 34 HB3 ARG 34 14.654 11.349 -5.632
239 HG2 ARG 34 HG2 ARG 34 15.848 10.720 -3.544
240 HG3 ARG 34 HG3 ARG 34 17.404 11.065 -4.337
241 HD2 ARG 34 HD2 ARG 34 16.642 13.406 -4.754
242 HD3 ARG 34 HD3 ARG 34 15.148 13.060 -3.861
243 HE ARG 34 HE ARG 34 17.776 12.648 -2.524
244 HH11 ARG 34 HH11 ARG 34 14.782 14.500 -2.820
245 HH12 ARG 34 HH12 ARG 34 15.001 15.324 -1.293
246 HH21 ARG 34 HH21 ARG 34 18.042 13.733 -0.544
247 HH22 ARG 34 HH22 ARG 34 16.849 14.889 -0.001
248 H TRP 35 H TRP 35 13.433 8.898 -6.671
249 HA TRP 35 HA TRP 35 13.533 9.628 -9.481
250 HB2 TRP 35 HB2 TRP 35 13.145 7.397 -10.361
251 HB3 TRP 35 HB3 TRP 35 14.696 7.436 -9.521
252 HD1 TRP 35 HD1 TRP 35 11.270 5.848 -9.409
253 HE1 TRP 35 HE1 TRP 35 11.190 3.981 -7.678
254 HE3 TRP 35 HE3 TRP 35 15.795 6.646 -7.171
255 HZ2 TRP 35 HZ2 TRP 35 12.854 2.985 -5.527
256 HZ3 TRP 35 HZ3 TRP 35 16.509 5.230 -5.277
257 HH2 TRP 35 HH2 TRP 35 15.059 3.395 -4.453
258 H THR 36 H THR 36 11.373 9.294 -10.496
259 HA THR 36 HA THR 36 9.275 9.634 -8.525
260 HB THR 36 HB THR 36 8.757 9.424 -11.474
261 HG1 THR 36 HG1 THR 36 10.436 10.833 -11.371
262 HG21 THR 36 HG21 THR 36 6.841 9.652 -9.928
263 HG22 THR 36 HG22 THR 36 7.598 11.089 -9.194
264 HG23 THR 36 HG23 THR 36 7.053 11.128 -10.889
265 H ALA 37 H ALA 37 7.703 8.274 -7.887
266 HA ALA 37 HA ALA 37 7.718 5.526 -9.048
267 HB1 ALA 37 HB1 ALA 37 7.012 6.464 -6.243
268 HB2 ALA 37 HB2 ALA 37 6.986 4.788 -6.826
269 HB3 ALA 37 HB3 ALA 37 8.532 5.668 -6.720
270 H PHE 38 H PHE 38 5.636 4.417 -9.061
271 HA PHE 38 HA PHE 38 3.292 6.202 -8.970
272 HB2 PHE 38 HB2 PHE 38 4.199 4.554 -11.311
273 HB3 PHE 38 HB3 PHE 38 2.511 4.969 -11.075
274 HD1 PHE 38 HD1 PHE 38 5.901 6.428 -11.613
275 HD2 PHE 38 HD2 PHE 38 1.661 7.142 -11.557
276 HE1 PHE 38 HE1 PHE 38 6.254 8.631 -12.692
277 HE2 PHE 38 HE2 PHE 38 2.015 9.343 -12.637
278 HZ PHE 38 HZ PHE 38 4.316 10.094 -13.197
279 H LYS 39 H LYS 39 1.214 5.088 -9.043
280 HA LYS 39 HA LYS 39 1.368 2.724 -7.260
281 HB2 LYS 39 HB2 LYS 39 0.108 4.592 -6.426
282 HB3 LYS 39 HB3 LYS 39 -0.867 4.679 -7.906
283 HG2 LYS 39 HG2 LYS 39 -1.967 2.615 -7.448
284 HG3 LYS 39 HG3 LYS 39 -0.796 2.173 -6.187
285 HD2 LYS 39 HD2 LYS 39 -2.666 4.569 -5.986
286 HD3 LYS 39 HD3 LYS 39 -3.007 2.971 -5.291
287 HE2 LYS 39 HE2 LYS 39 -0.905 3.087 -3.979
288 HE3 LYS 39 HE3 LYS 39 -0.579 4.691 -4.642
289 HZ1 LYS 39 HZ1 LYS 39 -1.604 4.831 -2.496
290 HZ2 LYS 39 HZ2 LYS 39 -2.616 5.456 -3.625
291 HZ3 LYS 39 HZ3 LYS 39 -2.908 3.959 -2.999
292 H ASP 40 H ASP 40 0.162 0.842 -7.609
293 HA ASP 40 HA ASP 40 -1.140 0.468 -10.230
294 HB2 ASP 40 HB2 ASP 40 1.318 0.017 -10.537
295 HB3 ASP 40 HB3 ASP 40 1.212 -1.234 -9.294
296 H GLU 41 H GLU 41 -0.798 -0.088 -6.888
297 HA GLU 41 HA GLU 41 -1.949 -2.694 -6.643
298 HB2 GLU 41 HB2 GLU 41 -1.704 -0.308 -4.755
299 HB3 GLU 41 HB3 GLU 41 -2.399 -1.857 -4.276
300 HG2 GLU 41 HG2 GLU 41 -0.161 -2.048 -3.609
301 HG3 GLU 41 HG3 GLU 41 -0.214 -2.936 -5.139
302 H ALA 42 H ALA 42 -3.337 0.363 -7.473
303 HA ALA 42 HA ALA 42 -6.018 -0.795 -7.341
304 HB1 ALA 42 HB1 ALA 42 -5.640 0.129 -5.054
305 HB2 ALA 42 HB2 ALA 42 -5.298 1.718 -5.771
306 HB3 ALA 42 HB3 ALA 42 -6.924 0.996 -5.919
307 H GLU 43 H GLU 43 -3.990 0.292 -9.299
308 HA GLU 43 HA GLU 43 -5.128 2.761 -10.324
309 HB2 GLU 43 HB2 GLU 43 -2.739 2.247 -10.572
310 HB3 GLU 43 HB3 GLU 43 -3.125 0.745 -11.420
311 HG2 GLU 43 HG2 GLU 43 -2.423 2.428 -13.019
312 HG3 GLU 43 HG3 GLU 43 -4.118 2.029 -13.288
313 H LEU 44 H LEU 44 -5.882 -0.603 -10.606
314 HA LEU 44 HA LEU 44 -6.979 -0.580 -13.262
315 HB2 LEU 44 HB2 LEU 44 -7.600 -2.395 -10.904
316 HB3 LEU 44 HB3 LEU 44 -7.966 -2.735 -12.603
317 HG LEU 44 HG LEU 44 -5.161 -2.364 -11.444
318 HD11 LEU 44 HD11 LEU 44 -6.279 -4.449 -10.700
319 HD12 LEU 44 HD12 LEU 44 -6.635 -4.859 -12.396
320 HD13 LEU 44 HD13 LEU 44 -4.951 -4.789 -11.827
321 HD21 LEU 44 HD21 LEU 44 -5.280 -1.682 -13.810
322 HD22 LEU 44 HD22 LEU 44 -4.438 -3.233 -13.657
323 HD23 LEU 44 HD23 LEU 44 -6.131 -3.192 -14.218
324 H GLU 45 H GLU 45 -9.188 -0.654 -13.902
325 HA GLU 45 HA GLU 45 -10.877 1.214 -12.454
326 HB2 GLU 45 HB2 GLU 45 -12.414 0.871 -14.323
327 HB3 GLU 45 HB3 GLU 45 -10.763 1.148 -14.915
328 HG2 GLU 45 HG2 GLU 45 -10.473 -1.318 -15.179
329 HG3 GLU 45 HG3 GLU 45 -12.139 -1.564 -14.635
330 H LEU 46 H LEU 46 -13.122 0.729 -11.870
331 HA LEU 46 HA LEU 46 -14.619 -0.357 -10.560
332 HB2 LEU 46 HB2 LEU 46 -13.841 -2.494 -12.556
333 HB3 LEU 46 HB3 LEU 46 -15.023 -2.823 -11.280
334 HG LEU 46 HG LEU 46 -16.362 -0.853 -12.037
335 HD11 LEU 46 HD11 LEU 46 -14.380 -0.894 -14.355
336 HD12 LEU 46 HD12 LEU 46 -15.943 -0.039 -14.375
337 HD13 LEU 46 HD13 LEU 46 -14.680 0.462 -13.236
338 HD21 LEU 46 HD21 LEU 46 -16.879 -3.164 -12.733
339 HD22 LEU 46 HD22 LEU 46 -17.262 -2.001 -14.024
340 HD23 LEU 46 HD23 LEU 46 -15.785 -2.993 -14.126
341 H VAL 47 H VAL 47 -11.720 -0.356 -9.671
342 HA VAL 47 HA VAL 47 -11.188 -2.790 -8.316
343 HB VAL 47 HB VAL 47 -9.557 -0.970 -8.840
344 HG11 VAL 47 HG11 VAL 47 -10.752 0.403 -6.393
345 HG12 VAL 47 HG12 VAL 47 -9.354 0.947 -7.339
346 HG13 VAL 47 HG13 VAL 47 -10.972 0.947 -8.073
347 HG21 VAL 47 HG21 VAL 47 -8.969 -2.745 -7.262
348 HG22 VAL 47 HG22 VAL 47 -8.263 -1.195 -6.748
349 HG23 VAL 47 HG23 VAL 47 -9.695 -1.824 -5.919
350 HA PRO 48 HA PRO 48 -14.259 -2.591 -5.168
351 HB2 PRO 48 HB2 PRO 48 -13.293 -4.464 -3.405
352 HB3 PRO 48 HB3 PRO 48 -14.017 -4.878 -4.993
353 HG2 PRO 48 HG2 PRO 48 -11.090 -4.626 -4.268
354 HG3 PRO 48 HG3 PRO 48 -11.895 -5.908 -5.236
355 HD2 PRO 48 HD2 PRO 48 -10.570 -3.810 -6.386
356 HD3 PRO 48 HD3 PRO 48 -12.028 -4.535 -7.130
357 H ARG 49 H ARG 49 -10.996 -1.593 -4.662
358 HA ARG 49 HA ARG 49 -11.821 0.020 -2.366
359 HB2 ARG 49 HB2 ARG 49 -11.127 -2.051 -1.257
360 HB3 ARG 49 HB3 ARG 49 -9.618 -2.072 -2.170
361 HG2 ARG 49 HG2 ARG 49 -9.251 -1.225 0.117
362 HG3 ARG 49 HG3 ARG 49 -8.884 0.017 -1.089
363 HD2 ARG 49 HD2 ARG 49 -10.154 0.961 0.794
364 HD3 ARG 49 HD3 ARG 49 -11.064 1.077 -0.715
365 HE ARG 49 HE ARG 49 -11.538 -1.140 1.245
366 HH11 ARG 49 HH11 ARG 49 -12.747 1.580 -0.657
367 HH12 ARG 49 HH12 ARG 49 -14.426 1.235 -0.301
368 HH21 ARG 49 HH21 ARG 49 -13.733 -1.573 1.681
369 HH22 ARG 49 HH22 ARG 49 -14.980 -0.536 1.025
Start of MODEL 2
1 H1 MET 1 H1 MET 1 2.388 -0.989 -0.605
2 H2 MET 1 H2 MET 1 3.769 -0.284 -0.053
3 H3 MET 1 H3 MET 1 3.605 -1.922 0.008
4 HA MET 1 HA MET 1 3.622 -2.109 -2.338
5 HB2 MET 1 HB2 MET 1 3.980 -0.135 -3.752
6 HB3 MET 1 HB3 MET 1 2.468 -0.004 -2.836
7 HG2 MET 1 HG2 MET 1 3.703 1.356 -1.116
8 HG3 MET 1 HG3 MET 1 5.103 1.375 -2.198
9 HE1 MET 1 HE1 MET 1 5.240 2.654 -4.453
10 HE2 MET 1 HE2 MET 1 3.865 1.704 -5.080
11 HE3 MET 1 HE3 MET 1 3.871 3.477 -5.231
12 H ILE 2 H ILE 2 5.673 -1.878 -3.713
13 HA ILE 2 HA ILE 2 8.037 -1.245 -2.043
14 HB ILE 2 HB ILE 2 7.198 -3.747 -1.987
15 HG12 ILE 2 HG12 ILE 2 10.114 -3.227 -2.619
16 HG13 ILE 2 HG13 ILE 2 9.340 -2.699 -1.106
17 HG21 ILE 2 HG21 ILE 2 8.851 -3.764 -4.545
18 HG22 ILE 2 HG22 ILE 2 8.124 -5.162 -3.730
19 HG23 ILE 2 HG23 ILE 2 7.073 -3.954 -4.490
20 HD11 ILE 2 HD11 ILE 2 9.465 -5.579 -2.088
21 HD12 ILE 2 HD12 ILE 2 10.436 -4.871 -0.776
22 HD13 ILE 2 HD13 ILE 2 8.679 -5.009 -0.592
23 H LEU 3 H LEU 3 9.919 -0.754 -3.230
24 HA LEU 3 HA LEU 3 9.592 -0.509 -6.182
25 HB2 LEU 3 HB2 LEU 3 10.593 1.612 -4.247
26 HB3 LEU 3 HB3 LEU 3 10.666 1.739 -6.013
27 HG LEU 3 HG LEU 3 8.052 1.356 -4.483
28 HD11 LEU 3 HD11 LEU 3 9.340 3.907 -5.519
29 HD12 LEU 3 HD12 LEU 3 7.703 3.762 -4.829
30 HD13 LEU 3 HD13 LEU 3 9.130 3.463 -3.810
31 HD21 LEU 3 HD21 LEU 3 8.007 0.716 -6.883
32 HD22 LEU 3 HD22 LEU 3 7.081 2.209 -6.597
33 HD23 LEU 3 HD23 LEU 3 8.706 2.298 -7.311
34 H THR 4 H THR 4 11.529 -0.650 -7.375
35 HA THR 4 HA THR 4 13.798 -1.734 -5.823
36 HB THR 4 HB THR 4 13.568 -1.913 -8.814
37 HG1 THR 4 HG1 THR 4 12.492 -3.856 -8.478
38 HG21 THR 4 HG21 THR 4 15.718 -2.527 -7.737
39 HG22 THR 4 HG22 THR 4 14.860 -3.667 -6.675
40 HG23 THR 4 HG23 THR 4 14.909 -3.949 -8.428
41 H CYS 5 H CYS 5 15.799 -0.860 -5.765
42 HA CYS 5 HA CYS 5 16.034 1.904 -6.614
43 HB2 CYS 5 HB2 CYS 5 16.976 1.119 -4.497
44 HB3 CYS 5 HB3 CYS 5 18.033 -0.012 -5.377
45 HA PRO 6 HA PRO 6 17.846 0.988 -10.607
46 HB2 PRO 6 HB2 PRO 6 18.970 3.747 -10.375
47 HB3 PRO 6 HB3 PRO 6 17.930 3.049 -11.660
48 HG2 PRO 6 HG2 PRO 6 16.964 4.835 -9.814
49 HG3 PRO 6 HG3 PRO 6 15.975 3.466 -10.438
50 HD2 PRO 6 HD2 PRO 6 17.462 3.675 -7.822
51 HD3 PRO 6 HD3 PRO 6 15.835 2.999 -8.179
52 H GLU 7 H GLU 7 19.542 1.964 -7.705
53 HA GLU 7 HA GLU 7 22.173 1.408 -9.007
54 HB2 GLU 7 HB2 GLU 7 21.517 3.028 -6.520
55 HB3 GLU 7 HB3 GLU 7 23.133 2.796 -7.204
56 HG2 GLU 7 HG2 GLU 7 20.787 4.106 -8.649
57 HG3 GLU 7 HG3 GLU 7 22.078 4.986 -7.824
58 H CYS 8 H CYS 8 20.221 0.800 -6.022
59 HA CYS 8 HA CYS 8 22.248 -1.047 -5.019
60 HB2 CYS 8 HB2 CYS 8 19.395 -0.522 -4.075
61 HB3 CYS 8 HB3 CYS 8 20.615 -1.489 -3.225
62 H ALA 9 H ALA 9 19.613 -1.192 -7.233
63 HA ALA 9 HA ALA 9 18.509 -2.871 -8.278
64 HB1 ALA 9 HB1 ALA 9 21.045 -4.447 -7.682
65 HB2 ALA 9 HB2 ALA 9 19.842 -4.816 -8.938
66 HB3 ALA 9 HB3 ALA 9 20.812 -3.335 -9.056
67 H SER 10 H SER 10 17.913 -2.512 -5.534
68 HA SER 10 HA SER 10 17.057 -5.249 -4.787
69 HB2 SER 10 HB2 SER 10 19.162 -4.652 -3.592
70 HB3 SER 10 HB3 SER 10 18.334 -3.247 -2.898
71 HG SER 10 HG SER 10 18.242 -5.057 -1.511
72 H ARG 11 H ARG 11 15.238 -5.231 -3.268
73 HA ARG 11 HA ARG 11 13.385 -3.079 -3.999
74 HB2 ARG 11 HB2 ARG 11 13.022 -5.696 -2.498
75 HB3 ARG 11 HB3 ARG 11 11.714 -4.567 -2.891
76 HG2 ARG 11 HG2 ARG 11 12.319 -4.767 -5.317
77 HG3 ARG 11 HG3 ARG 11 13.507 -6.013 -4.881
78 HD2 ARG 11 HD2 ARG 11 10.521 -6.140 -4.290
79 HD3 ARG 11 HD3 ARG 11 11.320 -6.968 -5.632
80 HE ARG 11 HE ARG 11 11.396 -7.701 -2.788
81 HH11 ARG 11 HH11 ARG 11 12.858 -8.124 -5.981
82 HH12 ARG 11 HH12 ARG 11 13.596 -9.653 -5.565
83 HH21 ARG 11 HH21 ARG 11 12.371 -9.695 -2.276
84 HH22 ARG 11 HH22 ARG 11 13.320 -10.543 -3.474
85 H TYR 12 H TYR 12 12.142 -1.875 -2.562
86 HA TYR 12 HA TYR 12 12.720 -1.995 0.291
87 HB2 TYR 12 HB2 TYR 12 14.472 -0.531 -0.241
88 HB3 TYR 12 HB3 TYR 12 13.492 0.358 -1.408
89 HD1 TYR 12 HD1 TYR 12 14.124 -0.183 2.194
90 HD2 TYR 12 HD2 TYR 12 11.995 2.117 -0.746
91 HE1 TYR 12 HE1 TYR 12 13.528 1.484 3.937
92 HE2 TYR 12 HE2 TYR 12 11.419 3.804 0.982
93 HH TYR 12 HH TYR 12 12.418 3.437 4.404
94 H PHE 13 H PHE 13 11.052 -1.356 1.590
95 HA PHE 13 HA PHE 13 8.595 -0.923 0.019
96 HB2 PHE 13 HB2 PHE 13 7.475 -1.942 2.081
97 HB3 PHE 13 HB3 PHE 13 8.382 -2.963 0.965
98 HD1 PHE 13 HD1 PHE 13 8.439 -1.407 4.320
99 HD2 PHE 13 HD2 PHE 13 10.423 -4.082 1.599
100 HE1 PHE 13 HE1 PHE 13 9.850 -2.259 6.178
101 HE2 PHE 13 HE2 PHE 13 11.832 -4.925 3.453
102 HZ PHE 13 HZ PHE 13 11.546 -4.013 5.745
103 H VAL 14 H VAL 14 6.881 0.322 0.590
104 HA VAL 14 HA VAL 14 7.151 2.192 2.839
105 HB VAL 14 HB VAL 14 6.703 4.133 1.443
106 HG11 VAL 14 HG11 VAL 14 9.085 2.610 0.320
107 HG12 VAL 14 HG12 VAL 14 8.846 4.365 0.315
108 HG13 VAL 14 HG13 VAL 14 9.070 3.514 1.859
109 HG21 VAL 14 HG21 VAL 14 6.948 2.221 -0.920
110 HG22 VAL 14 HG22 VAL 14 5.463 3.057 -0.385
111 HG23 VAL 14 HG23 VAL 14 6.826 3.991 -1.033
112 H ASP 15 H ASP 15 5.055 3.363 3.205
113 HA ASP 15 HA ASP 15 2.836 1.576 2.922
114 HB2 ASP 15 HB2 ASP 15 3.008 4.475 3.799
115 HB3 ASP 15 HB3 ASP 15 1.526 3.507 3.848
116 H ASP 16 H ASP 16 0.817 1.927 1.822
117 HA ASP 16 HA ASP 16 1.230 2.648 -0.919
118 HB2 ASP 16 HB2 ASP 16 -1.286 2.008 0.657
119 HB3 ASP 16 HB3 ASP 16 -1.236 2.232 -1.097
120 H SER 17 H SER 17 0.577 4.610 1.790
121 HA SER 17 HA SER 17 -0.987 6.610 0.330
122 HB2 SER 17 HB2 SER 17 -0.886 7.836 2.450
123 HB3 SER 17 HB3 SER 17 -1.362 6.148 2.732
124 HG SER 17 HG SER 17 0.266 6.861 4.174
125 H LYS 18 H LYS 18 2.329 5.778 0.545
126 HA LYS 18 HA LYS 18 3.374 8.499 0.486
127 HB2 LYS 18 HB2 LYS 18 4.711 5.830 -0.087
128 HB3 LYS 18 HB3 LYS 18 5.539 7.376 0.160
129 HG2 LYS 18 HG2 LYS 18 3.833 5.878 2.204
130 HG3 LYS 18 HG3 LYS 18 5.593 6.037 2.218
131 HD2 LYS 18 HD2 LYS 18 3.567 8.294 2.554
132 HD3 LYS 18 HD3 LYS 18 4.584 7.588 3.815
133 HE2 LYS 18 HE2 LYS 18 6.620 8.310 2.599
134 HE3 LYS 18 HE3 LYS 18 5.612 9.050 1.346
135 HZ1 LYS 18 HZ1 LYS 18 5.637 9.806 4.193
136 HZ2 LYS 18 HZ2 LYS 18 6.332 10.654 2.964
137 HZ3 LYS 18 HZ3 LYS 18 4.699 10.496 3.025
138 H VAL 19 H VAL 19 1.835 6.540 -1.813
139 HA VAL 19 HA VAL 19 2.904 8.224 -3.990
140 HB VAL 19 HB VAL 19 2.692 5.211 -4.241
141 HG11 VAL 19 HG11 VAL 19 3.788 7.377 -6.088
142 HG12 VAL 19 HG12 VAL 19 3.887 5.623 -6.376
143 HG13 VAL 19 HG13 VAL 19 2.308 6.426 -6.341
144 HG21 VAL 19 HG21 VAL 19 5.193 5.284 -4.391
145 HG22 VAL 19 HG22 VAL 19 5.145 6.998 -3.933
146 HG23 VAL 19 HG23 VAL 19 4.596 5.746 -2.789
147 H GLY 20 H GLY 20 1.419 8.621 -5.668
148 HA2 GLY 20 HA2 GLY 20 -1.332 7.542 -5.210
149 HA3 GLY 20 HA3 GLY 20 -1.024 9.251 -5.546
150 HA PRO 21 HA PRO 21 -1.747 6.856 -9.510
151 HB2 PRO 21 HB2 PRO 21 -3.994 8.220 -10.332
152 HB3 PRO 21 HB3 PRO 21 -4.051 6.795 -9.246
153 HG2 PRO 21 HG2 PRO 21 -4.193 9.727 -8.524
154 HG3 PRO 21 HG3 PRO 21 -5.166 8.364 -7.877
155 HD2 PRO 21 HD2 PRO 21 -2.970 9.418 -6.582
156 HD3 PRO 21 HD3 PRO 21 -3.441 7.697 -6.438
157 H ASP 22 H ASP 22 -1.496 10.189 -8.487
158 HA ASP 22 HA ASP 22 -0.816 11.152 -11.173
159 HB2 ASP 22 HB2 ASP 22 -0.457 13.338 -9.964
160 HB3 ASP 22 HB3 ASP 22 -2.097 12.681 -9.937
161 H GLY 23 H GLY 23 0.784 9.357 -8.947
162 HA2 GLY 23 HA2 GLY 23 3.007 8.714 -8.970
163 HA3 GLY 23 HA3 GLY 23 3.391 10.038 -10.077
164 H ARG 24 H ARG 24 4.949 9.261 -7.815
165 HA ARG 24 HA ARG 24 5.146 11.820 -6.424
166 HB2 ARG 24 HB2 ARG 24 3.414 10.119 -5.272
167 HB3 ARG 24 HB3 ARG 24 4.903 9.397 -4.646
168 HG2 ARG 24 HG2 ARG 24 4.125 12.335 -4.341
169 HG3 ARG 24 HG3 ARG 24 3.823 11.082 -3.125
170 HD2 ARG 24 HD2 ARG 24 6.293 10.623 -3.062
171 HD3 ARG 24 HD3 ARG 24 6.530 12.032 -4.122
172 HE ARG 24 HE ARG 24 5.030 13.054 -2.066
173 HH11 ARG 24 HH11 ARG 24 8.053 11.225 -2.226
174 HH12 ARG 24 HH12 ARG 24 8.685 11.916 -0.747
175 HH21 ARG 24 HH21 ARG 24 5.868 13.922 -0.133
176 HH22 ARG 24 HH22 ARG 24 7.457 13.456 0.425
177 H VAL 25 H VAL 25 7.286 12.179 -5.943
178 HA VAL 25 HA VAL 25 9.236 10.254 -6.837
179 HB VAL 25 HB VAL 25 9.412 12.769 -6.985
180 HG11 VAL 25 HG11 VAL 25 10.200 12.477 -4.061
181 HG12 VAL 25 HG12 VAL 25 10.301 13.958 -5.031
182 HG13 VAL 25 HG13 VAL 25 8.708 13.254 -4.657
183 HG21 VAL 25 HG21 VAL 25 11.346 11.269 -7.369
184 HG22 VAL 25 HG22 VAL 25 11.836 12.798 -6.599
185 HG23 VAL 25 HG23 VAL 25 11.721 11.315 -5.630
186 H VAL 26 H VAL 26 10.886 9.198 -5.653
187 HA VAL 26 HA VAL 26 10.391 8.948 -2.738
188 HB VAL 26 HB VAL 26 10.480 6.602 -2.760
189 HG11 VAL 26 HG11 VAL 26 8.845 7.371 -5.222
190 HG12 VAL 26 HG12 VAL 26 8.610 5.946 -4.194
191 HG13 VAL 26 HG13 VAL 26 8.309 7.574 -3.537
192 HG21 VAL 26 HG21 VAL 26 11.216 6.770 -5.710
193 HG22 VAL 26 HG22 VAL 26 12.306 6.300 -4.386
194 HG23 VAL 26 HG23 VAL 26 10.923 5.269 -4.804
195 H ARG 27 H ARG 27 12.269 7.673 -1.670
196 HA ARG 27 HA ARG 27 14.854 8.372 -2.944
197 HB2 ARG 27 HB2 ARG 27 14.270 10.281 -1.539
198 HB3 ARG 27 HB3 ARG 27 13.946 9.204 -0.165
199 HG2 ARG 27 HG2 ARG 27 16.309 8.498 -0.135
200 HG3 ARG 27 HG3 ARG 27 16.639 9.499 -1.564
201 HD2 ARG 27 HD2 ARG 27 15.998 11.522 -0.306
202 HD3 ARG 27 HD3 ARG 27 15.652 10.542 1.126
203 HE ARG 27 HE ARG 27 18.288 11.292 0.073
204 HH11 ARG 27 HH11 ARG 27 16.468 9.163 2.240
205 HH12 ARG 27 HH12 ARG 27 17.853 8.799 3.239
206 HH21 ARG 27 HH21 ARG 27 20.080 10.808 1.403
207 HH22 ARG 27 HH22 ARG 27 19.893 9.731 2.767
208 H CYS 28 H CYS 28 16.508 7.016 -2.490
209 HA CYS 28 HA CYS 28 15.820 4.409 -1.432
210 HB2 CYS 28 HB2 CYS 28 17.298 4.851 -3.413
211 HB3 CYS 28 HB3 CYS 28 18.510 5.545 -2.321
212 H ALA 29 H ALA 29 16.338 3.527 0.511
213 HA ALA 29 HA ALA 29 17.423 5.262 2.591
214 HB1 ALA 29 HB1 ALA 29 16.601 2.329 2.607
215 HB2 ALA 29 HB2 ALA 29 16.952 3.317 4.044
216 HB3 ALA 29 HB3 ALA 29 15.545 3.702 3.023
217 H SER 30 H SER 30 18.816 3.320 0.167
218 HA SER 30 HA SER 30 21.048 2.480 1.948
219 HB2 SER 30 HB2 SER 30 19.908 1.275 -0.589
220 HB3 SER 30 HB3 SER 30 21.448 0.764 0.140
221 HG SER 30 HG SER 30 20.341 0.203 2.006
222 H CYS 31 H CYS 31 20.289 4.521 -0.802
223 HA CYS 31 HA CYS 31 23.133 5.249 -0.834
224 HB2 CYS 31 HB2 CYS 31 23.457 4.993 -3.189
225 HB3 CYS 31 HB3 CYS 31 22.848 3.444 -2.559
226 H GLY 32 H GLY 32 19.902 6.198 -0.855
227 HA2 GLY 32 HA2 GLY 32 19.140 8.361 -0.594
228 HA3 GLY 32 HA3 GLY 32 20.765 8.974 -0.958
229 H ASN 33 H ASN 33 19.964 6.838 -3.412
230 HA ASN 33 HA ASN 33 19.665 8.822 -5.418
231 HB2 ASN 33 HB2 ASN 33 20.456 6.443 -5.698
232 HB3 ASN 33 HB3 ASN 33 18.785 5.908 -5.479
233 HD21 ASN 33 HD22 ASN 33 18.671 5.003 -7.574
234 HD22 ASN 33 HD21 ASN 33 18.586 6.006 -9.007
235 H ARG 34 H ARG 34 17.786 9.330 -6.730
236 HA ARG 34 HA ARG 34 15.172 8.850 -5.389
237 HB2 ARG 34 HB2 ARG 34 16.205 11.545 -6.336
238 HB3 ARG 34 HB3 ARG 34 14.585 11.215 -5.680
239 HG2 ARG 34 HG2 ARG 34 15.609 10.494 -3.536
240 HG3 ARG 34 HG3 ARG 34 17.225 10.846 -4.188
241 HD2 ARG 34 HD2 ARG 34 14.967 12.859 -3.835
242 HD3 ARG 34 HD3 ARG 34 16.379 12.699 -2.773
243 HE ARG 34 HE ARG 34 16.268 14.040 -5.335
244 HH11 ARG 34 HH11 ARG 34 18.403 12.238 -3.169
245 HH12 ARG 34 HH12 ARG 34 19.854 12.998 -3.780
246 HH21 ARG 34 HH21 ARG 34 18.178 14.993 -6.133
247 HH22 ARG 34 HH22 ARG 34 19.728 14.537 -5.464
248 H TRP 35 H TRP 35 13.402 8.779 -6.729
249 HA TRP 35 HA TRP 35 13.550 9.532 -9.537
250 HB2 TRP 35 HB2 TRP 35 13.196 7.309 -10.437
251 HB3 TRP 35 HB3 TRP 35 14.727 7.352 -9.568
252 HD1 TRP 35 HD1 TRP 35 11.309 5.738 -9.557
253 HE1 TRP 35 HE1 TRP 35 11.177 3.876 -7.833
254 HE3 TRP 35 HE3 TRP 35 15.761 6.556 -7.172
255 HZ2 TRP 35 HZ2 TRP 35 12.797 2.862 -5.655
256 HZ3 TRP 35 HZ3 TRP 35 16.425 5.130 -5.262
257 HH2 TRP 35 HH2 TRP 35 14.960 3.285 -4.494
258 H THR 36 H THR 36 11.423 9.253 -10.585
259 HA THR 36 HA THR 36 9.300 9.618 -8.676
260 HB THR 36 HB THR 36 8.778 9.332 -11.612
261 HG1 THR 36 HG1 THR 36 9.464 11.474 -11.840
262 HG21 THR 36 HG21 THR 36 7.749 11.158 -9.403
263 HG22 THR 36 HG22 THR 36 7.187 11.148 -11.097
264 HG23 THR 36 HG23 THR 36 6.912 9.734 -10.063
265 H ALA 37 H ALA 37 7.640 8.338 -8.066
266 HA ALA 37 HA ALA 37 7.506 5.613 -9.270
267 HB1 ALA 37 HB1 ALA 37 6.824 4.810 -7.061
268 HB2 ALA 37 HB2 ALA 37 8.412 5.612 -6.967
269 HB3 ALA 37 HB3 ALA 37 6.950 6.460 -6.400
270 H PHE 38 H PHE 38 5.282 4.616 -9.017
271 HA PHE 38 HA PHE 38 3.112 6.531 -8.701
272 HB2 PHE 38 HB2 PHE 38 2.137 5.787 -10.965
273 HB3 PHE 38 HB3 PHE 38 3.379 7.040 -10.900
274 HD1 PHE 38 HD2 PHE 38 2.724 3.501 -11.789
275 HD2 PHE 38 HD1 PHE 38 5.571 6.729 -11.834
276 HE1 PHE 38 HE2 PHE 38 4.149 2.221 -13.359
277 HE2 PHE 38 HE1 PHE 38 7.000 5.433 -13.392
278 HZ PHE 38 HZ PHE 38 6.294 3.187 -14.159
279 H LYS 39 H LYS 39 1.021 5.692 -8.452
280 HA LYS 39 HA LYS 39 0.990 3.101 -7.186
281 HB2 LYS 39 HB2 LYS 39 -0.384 5.074 -6.485
282 HB3 LYS 39 HB3 LYS 39 -1.293 4.951 -7.998
283 HG2 LYS 39 HG2 LYS 39 -2.537 3.932 -6.163
284 HG3 LYS 39 HG3 LYS 39 -2.120 2.736 -7.392
285 HD2 LYS 39 HD2 LYS 39 -1.782 1.862 -5.106
286 HD3 LYS 39 HD3 LYS 39 -0.266 1.902 -6.005
287 HE2 LYS 39 HE2 LYS 39 0.099 2.721 -3.735
288 HE3 LYS 39 HE3 LYS 39 0.343 4.037 -4.888
289 HZ1 LYS 39 HZ1 LYS 39 -0.974 4.713 -2.995
290 HZ2 LYS 39 HZ2 LYS 39 -1.861 4.828 -4.371
291 HZ3 LYS 39 HZ3 LYS 39 -2.111 3.574 -3.326
292 H ASP 40 H ASP 40 -0.469 1.310 -7.800
293 HA ASP 40 HA ASP 40 -0.558 0.998 -10.772
294 HB2 ASP 40 HB2 ASP 40 1.165 -0.340 -9.566
295 HB3 ASP 40 HB3 ASP 40 -0.116 -1.056 -8.574
296 H GLU 41 H GLU 41 -2.329 0.981 -7.758
297 HA GLU 41 HA GLU 41 -4.516 -0.666 -8.607
298 HB2 GLU 41 HB2 GLU 41 -3.956 -0.220 -6.254
299 HB3 GLU 41 HB3 GLU 41 -4.265 1.515 -6.494
300 HG2 GLU 41 HG2 GLU 41 -6.601 1.068 -7.002
301 HG3 GLU 41 HG3 GLU 41 -6.320 -0.684 -6.899
302 H ALA 42 H ALA 42 -3.521 2.644 -9.164
303 HA ALA 42 HA ALA 42 -5.704 3.104 -11.029
304 HB1 ALA 42 HB1 ALA 42 -6.509 5.150 -9.878
305 HB2 ALA 42 HB2 ALA 42 -6.782 3.709 -8.874
306 HB3 ALA 42 HB3 ALA 42 -5.427 4.795 -8.503
307 H GLU 43 H GLU 43 -5.393 5.224 -12.146
308 HA GLU 43 HA GLU 43 -2.744 6.462 -11.832
309 HB2 GLU 43 HB2 GLU 43 -2.314 4.492 -13.266
310 HB3 GLU 43 HB3 GLU 43 -3.575 5.039 -14.391
311 HG2 GLU 43 HG2 GLU 43 -2.314 7.101 -14.841
312 HG3 GLU 43 HG3 GLU 43 -1.086 6.635 -13.654
313 H LEU 44 H LEU 44 -2.621 8.535 -12.772
314 HA LEU 44 HA LEU 44 -5.117 9.909 -12.985
315 HB2 LEU 44 HB2 LEU 44 -3.041 10.934 -12.133
316 HB3 LEU 44 HB3 LEU 44 -2.281 10.738 -13.718
317 HG LEU 44 HG LEU 44 -3.997 12.262 -14.716
318 HD11 LEU 44 HD11 LEU 44 -4.842 12.630 -11.805
319 HD12 LEU 44 HD12 LEU 44 -5.395 13.614 -13.174
320 HD13 LEU 44 HD13 LEU 44 -5.832 11.894 -13.090
321 HD21 LEU 44 HD21 LEU 44 -2.501 13.375 -12.303
322 HD22 LEU 44 HD22 LEU 44 -1.822 13.130 -13.928
323 HD23 LEU 44 HD23 LEU 44 -3.120 14.320 -13.677
324 H GLU 45 H GLU 45 -6.132 10.880 -14.787
325 HA GLU 45 HA GLU 45 -6.055 9.292 -17.177
326 HB2 GLU 45 HB2 GLU 45 -7.394 11.963 -16.592
327 HB3 GLU 45 HB3 GLU 45 -7.717 10.924 -18.000
328 HG2 GLU 45 HG2 GLU 45 -8.367 9.078 -16.439
329 HG3 GLU 45 HG3 GLU 45 -8.147 10.179 -15.072
330 H LEU 46 H LEU 46 -5.678 10.077 -19.363
331 HA LEU 46 HA LEU 46 -3.140 11.371 -19.619
332 HB2 LEU 46 HB2 LEU 46 -3.938 9.651 -21.176
333 HB3 LEU 46 HB3 LEU 46 -5.286 10.693 -21.659
334 HG LEU 46 HG LEU 46 -3.653 12.373 -22.541
335 HD11 LEU 46 HD11 LEU 46 -1.620 10.197 -21.888
336 HD12 LEU 46 HD12 LEU 46 -1.296 11.663 -22.844
337 HD13 LEU 46 HD13 LEU 46 -1.708 11.803 -21.120
338 HD21 LEU 46 HD21 LEU 46 -4.643 10.644 -24.009
339 HD22 LEU 46 HD22 LEU 46 -2.976 11.032 -24.503
340 HD23 LEU 46 HD23 LEU 46 -3.308 9.537 -23.605
341 H VAL 47 H VAL 47 -2.603 13.414 -20.450
342 HA VAL 47 HA VAL 47 -4.319 15.536 -19.645
343 HB VAL 47 HB VAL 47 -2.596 17.008 -20.429
344 HG11 VAL 47 HG11 VAL 47 -1.276 14.418 -19.491
345 HG12 VAL 47 HG12 VAL 47 -0.626 16.064 -19.328
346 HG13 VAL 47 HG13 VAL 47 -2.083 15.592 -18.425
347 HG21 VAL 47 HG21 VAL 47 -2.242 16.090 -22.673
348 HG22 VAL 47 HG22 VAL 47 -0.699 16.191 -21.805
349 HG23 VAL 47 HG23 VAL 47 -1.518 14.620 -21.984
350 HA PRO 48 HA PRO 48 -6.816 16.228 -23.194
351 HB2 PRO 48 HB2 PRO 48 -7.197 18.953 -23.098
352 HB3 PRO 48 HB3 PRO 48 -7.973 17.800 -21.968
353 HG2 PRO 48 HG2 PRO 48 -5.490 19.477 -21.538
354 HG3 PRO 48 HG3 PRO 48 -6.855 19.186 -20.408
355 HD2 PRO 48 HD2 PRO 48 -4.493 17.818 -20.248
356 HD3 PRO 48 HD3 PRO 48 -6.059 17.059 -19.837
357 H ARG 49 H ARG 49 -6.863 17.299 -25.322
358 HA ARG 49 HA ARG 49 -4.481 18.749 -26.193
359 HB2 ARG 49 HB2 ARG 49 -3.658 16.446 -26.311
360 HB3 ARG 49 HB3 ARG 49 -5.122 15.934 -27.169
361 HG2 ARG 49 HG2 ARG 49 -3.228 16.219 -28.724
362 HG3 ARG 49 HG3 ARG 49 -4.528 17.364 -29.090
363 HD2 ARG 49 HD2 ARG 49 -3.288 19.130 -27.817
364 HD3 ARG 49 HD3 ARG 49 -1.996 17.961 -27.496
365 HE ARG 49 HE ARG 49 -1.241 18.197 -29.679
366 HH11 ARG 49 HH11 ARG 49 -4.421 19.715 -29.344
367 HH12 ARG 49 HH12 ARG 49 -4.334 20.514 -30.895
368 HH21 ARG 49 HH21 ARG 49 -1.160 19.255 -31.704
369 HH22 ARG 49 HH22 ARG 49 -2.499 20.251 -32.227
Start of MODEL 3
1 H1 MET 1 H1 MET 1 2.363 -1.073 -0.502
2 H2 MET 1 H2 MET 1 3.728 -0.320 0.023
3 H3 MET 1 H3 MET 1 3.621 -1.958 0.101
4 HA MET 1 HA MET 1 3.597 -2.169 -2.247
5 HB2 MET 1 HB2 MET 1 3.896 -0.192 -3.673
6 HB3 MET 1 HB3 MET 1 2.401 -0.079 -2.728
7 HG2 MET 1 HG2 MET 1 3.661 1.310 -1.037
8 HG3 MET 1 HG3 MET 1 5.029 1.338 -2.158
9 HE1 MET 1 HE1 MET 1 5.049 2.577 -4.469
10 HE2 MET 1 HE2 MET 1 3.655 1.597 -4.989
11 HE3 MET 1 HE3 MET 1 3.627 3.365 -5.183
12 H ILE 2 H ILE 2 5.609 -1.907 -3.655
13 HA ILE 2 HA ILE 2 7.987 -1.255 -2.009
14 HB ILE 2 HB ILE 2 7.175 -3.745 -1.912
15 HG12 ILE 2 HG12 ILE 2 10.076 -3.221 -2.632
16 HG13 ILE 2 HG13 ILE 2 9.340 -2.675 -1.107
17 HG21 ILE 2 HG21 ILE 2 8.759 -3.778 -4.519
18 HG22 ILE 2 HG22 ILE 2 8.079 -5.181 -3.680
19 HG23 ILE 2 HG23 ILE 2 6.993 -3.981 -4.417
20 HD11 ILE 2 HD11 ILE 2 9.473 -5.565 -2.052
21 HD12 ILE 2 HD12 ILE 2 10.450 -4.833 -0.764
22 HD13 ILE 2 HD13 ILE 2 8.689 -4.989 -0.561
23 H LEU 3 H LEU 3 9.874 -0.814 -3.214
24 HA LEU 3 HA LEU 3 9.513 -0.519 -6.155
25 HB2 LEU 3 HB2 LEU 3 10.556 1.547 -4.184
26 HB3 LEU 3 HB3 LEU 3 10.667 1.700 -5.946
27 HG LEU 3 HG LEU 3 8.023 1.369 -4.456
28 HD11 LEU 3 HD11 LEU 3 9.190 3.455 -3.782
29 HD12 LEU 3 HD12 LEU 3 9.363 3.894 -5.503
30 HD13 LEU 3 HD13 LEU 3 7.748 3.789 -4.761
31 HD21 LEU 3 HD21 LEU 3 7.961 0.749 -6.846
32 HD22 LEU 3 HD22 LEU 3 7.110 2.293 -6.580
33 HD23 LEU 3 HD23 LEU 3 8.748 2.290 -7.270
34 H THR 4 H THR 4 11.426 -0.690 -7.370
35 HA THR 4 HA THR 4 13.719 -1.809 -5.880
36 HB THR 4 HB THR 4 13.460 -1.817 -8.870
37 HG1 THR 4 HG1 THR 4 12.402 -3.786 -8.641
38 HG21 THR 4 HG21 THR 4 14.811 -3.868 -8.626
39 HG22 THR 4 HG22 THR 4 15.619 -2.483 -7.861
40 HG23 THR 4 HG23 THR 4 14.780 -3.688 -6.858
41 H CYS 5 H CYS 5 15.702 -0.901 -5.767
42 HA CYS 5 HA CYS 5 15.937 1.873 -6.573
43 HB2 CYS 5 HB2 CYS 5 16.896 1.058 -4.472
44 HB3 CYS 5 HB3 CYS 5 17.945 -0.065 -5.371
45 HA PRO 6 HA PRO 6 17.709 1.002 -10.597
46 HB2 PRO 6 HB2 PRO 6 18.848 3.745 -10.341
47 HB3 PRO 6 HB3 PRO 6 17.797 3.072 -11.628
48 HG2 PRO 6 HG2 PRO 6 16.841 4.841 -9.765
49 HG3 PRO 6 HG3 PRO 6 15.847 3.480 -10.387
50 HD2 PRO 6 HD2 PRO 6 17.342 3.659 -7.776
51 HD3 PRO 6 HD3 PRO 6 15.718 2.992 -8.132
52 H GLU 7 H GLU 7 19.413 1.890 -7.693
53 HA GLU 7 HA GLU 7 22.043 1.369 -9.014
54 HB2 GLU 7 HB2 GLU 7 21.397 2.958 -6.502
55 HB3 GLU 7 HB3 GLU 7 23.016 2.725 -7.184
56 HG2 GLU 7 HG2 GLU 7 20.689 4.068 -8.624
57 HG3 GLU 7 HG3 GLU 7 21.984 4.922 -7.772
58 H CYS 8 H CYS 8 20.124 0.749 -6.017
59 HA CYS 8 HA CYS 8 22.151 -1.121 -5.043
60 HB2 CYS 8 HB2 CYS 8 19.298 -0.603 -4.084
61 HB3 CYS 8 HB3 CYS 8 20.511 -1.584 -3.254
62 H ALA 9 H ALA 9 19.508 -1.234 -7.247
63 HA ALA 9 HA ALA 9 18.385 -2.908 -8.289
64 HB1 ALA 9 HB1 ALA 9 19.709 -4.848 -8.976
65 HB2 ALA 9 HB2 ALA 9 20.662 -3.352 -9.115
66 HB3 ALA 9 HB3 ALA 9 20.937 -4.465 -7.750
67 H SER 10 H SER 10 17.792 -2.572 -5.558
68 HA SER 10 HA SER 10 17.013 -5.324 -4.774
69 HB2 SER 10 HB2 SER 10 19.145 -4.641 -3.621
70 HB3 SER 10 HB3 SER 10 18.267 -3.267 -2.923
71 HG SER 10 HG SER 10 17.765 -6.034 -2.537
72 H ARG 11 H ARG 11 15.308 -5.274 -3.045
73 HA ARG 11 HA ARG 11 13.292 -3.314 -3.897
74 HB2 ARG 11 HB2 ARG 11 13.081 -5.671 -1.986
75 HB3 ARG 11 HB3 ARG 11 11.738 -4.769 -2.709
76 HG2 ARG 11 HG2 ARG 11 13.787 -6.453 -4.224
77 HG3 ARG 11 HG3 ARG 11 12.106 -6.902 -3.888
78 HD2 ARG 11 HD2 ARG 11 11.340 -4.921 -5.172
79 HD3 ARG 11 HD3 ARG 11 13.024 -4.528 -5.562
80 HE ARG 11 HE ARG 11 13.108 -6.845 -6.635
81 HH11 ARG 11 HH11 ARG 11 10.140 -4.936 -6.446
82 HH12 ARG 11 HH12 ARG 11 9.415 -5.707 -7.839
83 HH21 ARG 11 HH21 ARG 11 12.149 -7.823 -8.455
84 HH22 ARG 11 HH22 ARG 11 10.563 -7.319 -8.989
85 H TYR 12 H TYR 12 12.095 -2.004 -2.530
86 HA TYR 12 HA TYR 12 12.757 -1.851 0.304
87 HB2 TYR 12 HB2 TYR 12 14.465 -0.407 -0.393
88 HB3 TYR 12 HB3 TYR 12 13.448 0.347 -1.624
89 HD1 TYR 12 HD2 TYR 12 14.169 0.176 1.996
90 HD2 TYR 12 HD1 TYR 12 11.903 2.127 -1.095
91 HE1 TYR 12 HE2 TYR 12 13.577 1.993 3.583
92 HE2 TYR 12 HE1 TYR 12 11.329 3.960 0.478
93 HH TYR 12 HH TYR 12 12.475 3.984 3.874
94 H PHE 13 H PHE 13 11.063 -1.252 1.562
95 HA PHE 13 HA PHE 13 8.597 -0.847 -0.008
96 HB2 PHE 13 HB2 PHE 13 7.491 -1.875 2.065
97 HB3 PHE 13 HB3 PHE 13 8.363 -2.893 0.928
98 HD1 PHE 13 HD2 PHE 13 8.562 -1.304 4.275
99 HD2 PHE 13 HD1 PHE 13 10.350 -4.087 1.530
100 HE1 PHE 13 HE2 PHE 13 9.997 -2.185 6.097
101 HE2 PHE 13 HE1 PHE 13 11.793 -4.955 3.342
102 HZ PHE 13 HZ PHE 13 11.620 -4.005 5.634
103 H VAL 14 H VAL 14 6.869 0.359 0.586
104 HA VAL 14 HA VAL 14 7.141 2.243 2.832
105 HB VAL 14 HB VAL 14 6.626 4.164 1.404
106 HG11 VAL 14 HG11 VAL 14 9.060 2.687 0.331
107 HG12 VAL 14 HG12 VAL 14 8.775 4.437 0.302
108 HG13 VAL 14 HG13 VAL 14 9.006 3.609 1.858
109 HG21 VAL 14 HG21 VAL 14 5.430 3.011 -0.406
110 HG22 VAL 14 HG22 VAL 14 6.758 3.996 -1.054
111 HG23 VAL 14 HG23 VAL 14 6.939 2.230 -0.926
112 H ASP 15 H ASP 15 5.036 3.382 3.233
113 HA ASP 15 HA ASP 15 2.850 1.559 2.997
114 HB2 ASP 15 HB2 ASP 15 2.974 4.465 3.851
115 HB3 ASP 15 HB3 ASP 15 1.514 3.474 3.938
116 H ASP 16 H ASP 16 0.800 1.858 1.932
117 HA ASP 16 HA ASP 16 1.148 2.554 -0.820
118 HB2 ASP 16 HB2 ASP 16 -1.323 1.888 0.811
119 HB3 ASP 16 HB3 ASP 16 -1.319 2.081 -0.949
120 H SER 17 H SER 17 0.568 4.568 1.850
121 HA SER 17 HA SER 17 -1.082 6.499 0.376
122 HB2 SER 17 HB2 SER 17 -1.000 7.764 2.478
123 HB3 SER 17 HB3 SER 17 -1.451 6.074 2.789
124 HG SER 17 HG SER 17 0.180 6.839 4.217
125 H LYS 18 H LYS 18 2.239 5.728 0.586
126 HA LYS 18 HA LYS 18 3.236 8.468 0.507
127 HB2 LYS 18 HB2 LYS 18 4.660 5.846 -0.076
128 HB3 LYS 18 HB3 LYS 18 5.419 7.409 0.252
129 HG2 LYS 18 HG2 LYS 18 3.711 5.761 2.177
130 HG3 LYS 18 HG3 LYS 18 5.462 5.992 2.256
131 HD2 LYS 18 HD2 LYS 18 3.355 8.171 2.604
132 HD3 LYS 18 HD3 LYS 18 4.320 7.415 3.883
133 HE2 LYS 18 HE2 LYS 18 6.393 8.242 2.784
134 HE3 LYS 18 HE3 LYS 18 5.408 9.058 1.555
135 HZ1 LYS 18 HZ1 LYS 18 6.028 10.561 3.314
136 HZ2 LYS 18 HZ2 LYS 18 4.399 10.352 3.308
137 HZ3 LYS 18 HZ3 LYS 18 5.317 9.598 4.443
138 H VAL 19 H VAL 19 1.745 6.459 -1.777
139 HA VAL 19 HA VAL 19 2.799 8.132 -3.964
140 HB VAL 19 HB VAL 19 2.641 5.114 -4.184
141 HG11 VAL 19 HG11 VAL 19 3.892 5.530 -6.303
142 HG12 VAL 19 HG12 VAL 19 2.288 6.298 -6.309
143 HG13 VAL 19 HG13 VAL 19 3.745 7.279 -6.025
144 HG21 VAL 19 HG21 VAL 19 5.079 6.915 -3.844
145 HG22 VAL 19 HG22 VAL 19 4.495 5.670 -2.703
146 HG23 VAL 19 HG23 VAL 19 5.131 5.199 -4.289
147 H GLY 20 H GLY 20 1.345 8.497 -5.651
148 HA2 GLY 20 HA2 GLY 20 -1.361 7.260 -5.349
149 HA3 GLY 20 HA3 GLY 20 -1.146 8.991 -5.625
150 HA PRO 21 HA PRO 21 -1.445 6.683 -9.695
151 HB2 PRO 21 HB2 PRO 21 -3.731 7.902 -10.626
152 HB3 PRO 21 HB3 PRO 21 -3.746 6.427 -9.613
153 HG2 PRO 21 HG2 PRO 21 -4.203 9.294 -8.788
154 HG3 PRO 21 HG3 PRO 21 -5.073 7.822 -8.247
155 HD2 PRO 21 HD2 PRO 21 -3.057 9.031 -6.787
156 HD3 PRO 21 HD3 PRO 21 -3.392 7.279 -6.706
157 H ASP 22 H ASP 22 -1.632 10.020 -8.579
158 HA ASP 22 HA ASP 22 -0.889 11.177 -11.141
159 HB2 ASP 22 HB2 ASP 22 -1.007 12.259 -8.304
160 HB3 ASP 22 HB3 ASP 22 -0.585 13.230 -9.729
161 H GLY 23 H GLY 23 0.789 9.284 -8.973
162 HA2 GLY 23 HA2 GLY 23 3.032 8.720 -9.039
163 HA3 GLY 23 HA3 GLY 23 3.376 10.124 -10.059
164 H ARG 24 H ARG 24 4.969 9.333 -7.868
165 HA ARG 24 HA ARG 24 5.043 11.826 -6.363
166 HB2 ARG 24 HB2 ARG 24 3.576 9.663 -5.275
167 HB3 ARG 24 HB3 ARG 24 5.143 9.586 -4.467
168 HG2 ARG 24 HG2 ARG 24 3.287 12.013 -4.639
169 HG3 ARG 24 HG3 ARG 24 3.529 10.995 -3.214
170 HD2 ARG 24 HD2 ARG 24 5.645 12.723 -4.559
171 HD3 ARG 24 HD3 ARG 24 4.803 13.096 -3.051
172 HE ARG 24 HE ARG 24 6.862 10.991 -3.465
173 HH11 ARG 24 HH11 ARG 24 4.691 12.706 -1.269
174 HH12 ARG 24 HH12 ARG 24 5.516 12.150 0.168
175 HH21 ARG 24 HH21 ARG 24 7.916 10.280 -1.595
176 HH22 ARG 24 HH22 ARG 24 7.344 10.775 -0.017
177 H VAL 25 H VAL 25 7.171 12.220 -5.646
178 HA VAL 25 HA VAL 25 9.181 10.432 -6.710
179 HB VAL 25 HB VAL 25 9.287 12.955 -6.697
180 HG11 VAL 25 HG11 VAL 25 10.071 12.504 -3.788
181 HG12 VAL 25 HG12 VAL 25 10.121 14.050 -4.670
182 HG13 VAL 25 HG13 VAL 25 8.561 13.270 -4.337
183 HG21 VAL 25 HG21 VAL 25 11.262 11.523 -7.162
184 HG22 VAL 25 HG22 VAL 25 11.702 13.019 -6.315
185 HG23 VAL 25 HG23 VAL 25 11.638 11.482 -5.422
186 H VAL 26 H VAL 26 10.857 9.365 -5.588
187 HA VAL 26 HA VAL 26 10.442 8.949 -2.682
188 HB VAL 26 HB VAL 26 10.531 6.596 -2.825
189 HG11 VAL 26 HG11 VAL 26 8.309 7.566 -3.379
190 HG12 VAL 26 HG12 VAL 26 8.735 7.519 -5.111
191 HG13 VAL 26 HG13 VAL 26 8.581 6.008 -4.194
192 HG21 VAL 26 HG21 VAL 26 11.064 6.911 -5.807
193 HG22 VAL 26 HG22 VAL 26 12.252 6.393 -4.585
194 HG23 VAL 26 HG23 VAL 26 10.842 5.374 -4.947
195 H ARG 27 H ARG 27 12.359 7.791 -1.674
196 HA ARG 27 HA ARG 27 14.862 8.301 -3.166
197 HB2 ARG 27 HB2 ARG 27 14.327 10.360 -1.871
198 HB3 ARG 27 HB3 ARG 27 14.328 9.408 -0.375
199 HG2 ARG 27 HG2 ARG 27 16.689 8.803 -0.726
200 HG3 ARG 27 HG3 ARG 27 16.685 9.634 -2.297
201 HD2 ARG 27 HD2 ARG 27 16.133 11.768 -1.120
202 HD3 ARG 27 HD3 ARG 27 16.260 10.915 0.425
203 HE ARG 27 HE ARG 27 18.546 11.063 -1.510
204 HH11 ARG 27 HH11 ARG 27 17.240 11.543 1.741
205 HH12 ARG 27 HH12 ARG 27 18.798 11.915 2.439
206 HH21 ARG 27 HH21 ARG 27 20.565 11.545 -0.572
207 HH22 ARG 27 HH22 ARG 27 20.680 11.906 1.133
208 H CYS 28 H CYS 28 16.571 7.018 -2.608
209 HA CYS 28 HA CYS 28 15.850 4.486 -1.417
210 HB2 CYS 28 HB2 CYS 28 17.299 4.825 -3.431
211 HB3 CYS 28 HB3 CYS 28 18.544 5.528 -2.378
212 H ALA 29 H ALA 29 16.346 3.687 0.567
213 HA ALA 29 HA ALA 29 17.557 5.458 2.555
214 HB1 ALA 29 HB1 ALA 29 15.631 4.015 3.098
215 HB2 ALA 29 HB2 ALA 29 16.595 2.574 2.697
216 HB3 ALA 29 HB3 ALA 29 17.045 3.593 4.087
217 H SER 30 H SER 30 18.791 3.322 0.190
218 HA SER 30 HA SER 30 21.024 2.464 1.952
219 HB2 SER 30 HB2 SER 30 19.822 1.262 -0.556
220 HB3 SER 30 HB3 SER 30 21.351 0.712 0.163
221 HG SER 30 HG SER 30 19.513 -0.461 0.928
222 H CYS 31 H CYS 31 20.323 4.486 -0.830
223 HA CYS 31 HA CYS 31 23.203 5.082 -0.902
224 HB2 CYS 31 HB2 CYS 31 23.472 4.795 -3.262
225 HB3 CYS 31 HB3 CYS 31 22.819 3.284 -2.597
226 H GLY 32 H GLY 32 20.008 6.182 -0.906
227 HA2 GLY 32 HA2 GLY 32 19.345 8.376 -0.659
228 HA3 GLY 32 HA3 GLY 32 20.992 8.908 -1.046
229 H ASN 33 H ASN 33 20.014 6.766 -3.460
230 HA ASN 33 HA ASN 33 19.823 8.742 -5.487
231 HB2 ASN 33 HB2 ASN 33 20.447 6.324 -5.750
232 HB3 ASN 33 HB3 ASN 33 18.751 5.897 -5.486
233 HD21 ASN 33 HD22 ASN 33 18.599 4.954 -7.584
234 HD22 ASN 33 HD21 ASN 33 18.496 5.951 -9.021
235 H ARG 34 H ARG 34 17.959 9.358 -6.786
236 HA ARG 34 HA ARG 34 15.351 9.151 -5.370
237 HB2 ARG 34 HB2 ARG 34 16.376 11.179 -4.554
238 HB3 ARG 34 HB3 ARG 34 16.788 11.694 -6.198
239 HG2 ARG 34 HG2 ARG 34 14.399 11.895 -6.771
240 HG3 ARG 34 HG3 ARG 34 13.943 11.305 -5.159
241 HD2 ARG 34 HD2 ARG 34 13.800 13.744 -5.213
242 HD3 ARG 34 HD3 ARG 34 15.088 13.231 -4.122
243 HE ARG 34 HE ARG 34 16.710 14.092 -5.583
244 HH11 ARG 34 HH11 ARG 34 13.474 14.345 -6.987
245 HH12 ARG 34 HH12 ARG 34 13.983 15.442 -8.248
246 HH21 ARG 34 HH21 ARG 34 17.342 15.528 -7.239
247 HH22 ARG 34 HH22 ARG 34 16.159 16.111 -8.388
248 H TRP 35 H TRP 35 13.605 8.991 -6.683
249 HA TRP 35 HA TRP 35 13.668 9.867 -9.454
250 HB2 TRP 35 HB2 TRP 35 13.374 7.688 -10.448
251 HB3 TRP 35 HB3 TRP 35 14.896 7.699 -9.564
252 HD1 TRP 35 HD1 TRP 35 11.539 6.013 -9.743
253 HE1 TRP 35 HE1 TRP 35 11.375 4.085 -8.102
254 HE3 TRP 35 HE3 TRP 35 15.838 6.853 -7.091
255 HZ2 TRP 35 HZ2 TRP 35 12.899 3.024 -5.890
256 HZ3 TRP 35 HZ3 TRP 35 16.438 5.367 -5.213
257 HH2 TRP 35 HH2 TRP 35 14.993 3.450 -4.604
258 H THR 36 H THR 36 11.523 9.472 -10.495
259 HA THR 36 HA THR 36 9.418 9.761 -8.527
260 HB THR 36 HB THR 36 8.875 9.605 -11.461
261 HG1 THR 36 HG1 THR 36 9.501 11.775 -11.585
262 HG21 THR 36 HG21 THR 36 7.004 9.907 -9.896
263 HG22 THR 36 HG22 THR 36 7.824 11.305 -9.156
264 HG23 THR 36 HG23 THR 36 7.257 11.394 -10.843
265 H ALA 37 H ALA 37 7.671 8.484 -8.082
266 HA ALA 37 HA ALA 37 7.668 5.759 -9.291
267 HB1 ALA 37 HB1 ALA 37 7.018 6.574 -6.431
268 HB2 ALA 37 HB2 ALA 37 6.939 4.928 -7.089
269 HB3 ALA 37 HB3 ALA 37 8.511 5.751 -6.962
270 H PHE 38 H PHE 38 5.475 4.709 -9.150
271 HA PHE 38 HA PHE 38 3.234 6.531 -8.788
272 HB2 PHE 38 HB2 PHE 38 2.315 5.874 -11.096
273 HB3 PHE 38 HB3 PHE 38 3.506 7.168 -10.946
274 HD1 PHE 38 HD1 PHE 38 2.997 3.658 -12.026
275 HD2 PHE 38 HD2 PHE 38 5.722 6.985 -11.871
276 HE1 PHE 38 HE1 PHE 38 4.487 2.516 -13.651
277 HE2 PHE 38 HE2 PHE 38 7.203 5.844 -13.495
278 HZ PHE 38 HZ PHE 38 6.589 3.614 -14.385
279 H LYS 39 H LYS 39 1.206 5.626 -8.543
280 HA LYS 39 HA LYS 39 1.293 2.928 -7.480
281 HB2 LYS 39 HB2 LYS 39 0.034 4.669 -6.370
282 HB3 LYS 39 HB3 LYS 39 -0.957 4.950 -7.817
283 HG2 LYS 39 HG2 LYS 39 -2.028 2.825 -7.642
284 HG3 LYS 39 HG3 LYS 39 -0.838 2.237 -6.457
285 HD2 LYS 39 HD2 LYS 39 -2.728 4.566 -5.935
286 HD3 LYS 39 HD3 LYS 39 -3.065 2.885 -5.466
287 HE2 LYS 39 HE2 LYS 39 -0.947 2.840 -4.153
288 HE3 LYS 39 HE3 LYS 39 -0.660 4.534 -4.572
289 HZ1 LYS 39 HZ1 LYS 39 -2.966 3.508 -3.058
290 HZ2 LYS 39 HZ2 LYS 39 -1.684 4.330 -2.434
291 HZ3 LYS 39 HZ3 LYS 39 -2.720 5.088 -3.465
292 H ASP 40 H ASP 40 -0.065 1.176 -8.111
293 HA ASP 40 HA ASP 40 -1.218 1.227 -10.822
294 HB2 ASP 40 HB2 ASP 40 1.249 0.669 -11.017
295 HB3 ASP 40 HB3 ASP 40 0.944 -0.758 -10.007
296 H GLU 41 H GLU 41 -2.065 0.970 -7.925
297 HA GLU 41 HA GLU 41 -2.658 -1.748 -7.322
298 HB2 GLU 41 HB2 GLU 41 -2.516 0.061 -5.670
299 HB3 GLU 41 HB3 GLU 41 -3.911 0.873 -6.423
300 HG2 GLU 41 HG2 GLU 41 -5.359 -1.008 -5.853
301 HG3 GLU 41 HG3 GLU 41 -3.980 -1.911 -5.196
302 H ALA 42 H ALA 42 -4.155 0.612 -9.436
303 HA ALA 42 HA ALA 42 -6.143 -1.342 -10.300
304 HB1 ALA 42 HB1 ALA 42 -8.061 0.163 -9.874
305 HB2 ALA 42 HB2 ALA 42 -7.252 -0.298 -8.355
306 HB3 ALA 42 HB3 ALA 42 -6.978 1.313 -9.065
307 H GLU 43 H GLU 43 -7.373 -0.509 -12.200
308 HA GLU 43 HA GLU 43 -6.324 1.877 -13.530
309 HB2 GLU 43 HB2 GLU 43 -4.629 0.149 -14.093
310 HB3 GLU 43 HB3 GLU 43 -5.912 -0.930 -14.642
311 HG2 GLU 43 HG2 GLU 43 -4.926 0.047 -16.588
312 HG3 GLU 43 HG3 GLU 43 -6.528 0.766 -16.400
313 H LEU 44 H LEU 44 -7.743 2.629 -15.146
314 HA LEU 44 HA LEU 44 -10.186 1.027 -15.653
315 HB2 LEU 44 HB2 LEU 44 -10.086 3.850 -14.506
316 HB3 LEU 44 HB3 LEU 44 -11.545 3.107 -15.176
317 HG LEU 44 HG LEU 44 -9.970 1.938 -12.841
318 HD11 LEU 44 HD11 LEU 44 -12.527 3.587 -12.879
319 HD12 LEU 44 HD12 LEU 44 -11.804 2.814 -11.448
320 HD13 LEU 44 HD13 LEU 44 -10.943 4.130 -12.277
321 HD21 LEU 44 HD21 LEU 44 -12.745 1.346 -13.973
322 HD22 LEU 44 HD22 LEU 44 -11.328 0.274 -14.086
323 HD23 LEU 44 HD23 LEU 44 -12.050 0.620 -12.506
324 H GLU 45 H GLU 45 -11.550 2.015 -17.373
325 HA GLU 45 HA GLU 45 -10.012 3.727 -19.253
326 HB2 GLU 45 HB2 GLU 45 -11.434 1.130 -19.950
327 HB3 GLU 45 HB3 GLU 45 -10.735 2.268 -21.115
328 HG2 GLU 45 HG2 GLU 45 -8.499 1.959 -20.019
329 HG3 GLU 45 HG3 GLU 45 -9.217 0.727 -18.966
330 H LEU 46 H LEU 46 -12.575 3.666 -17.341
331 HA LEU 46 HA LEU 46 -14.720 4.360 -19.163
332 HB2 LEU 46 HB2 LEU 46 -14.415 4.831 -16.171
333 HB3 LEU 46 HB3 LEU 46 -15.922 4.950 -17.094
334 HG LEU 46 HG LEU 46 -14.251 2.414 -16.774
335 HD11 LEU 46 HD11 LEU 46 -16.904 3.243 -15.526
336 HD12 LEU 46 HD12 LEU 46 -16.111 1.664 -15.338
337 HD13 LEU 46 HD13 LEU 46 -15.346 3.122 -14.673
338 HD21 LEU 46 HD21 LEU 46 -16.989 2.909 -18.023
339 HD22 LEU 46 HD22 LEU 46 -15.510 2.437 -18.892
340 HD23 LEU 46 HD23 LEU 46 -16.259 1.310 -17.749
341 H VAL 47 H VAL 47 -11.904 5.932 -18.520
342 HA VAL 47 HA VAL 47 -13.090 8.590 -19.060
343 HB VAL 47 HB VAL 47 -11.671 9.652 -17.398
344 HG11 VAL 47 HG11 VAL 47 -13.128 7.303 -16.119
345 HG12 VAL 47 HG12 VAL 47 -12.704 8.846 -15.348
346 HG13 VAL 47 HG13 VAL 47 -13.895 8.815 -16.665
347 HG21 VAL 47 HG21 VAL 47 -10.735 6.842 -16.686
348 HG22 VAL 47 HG22 VAL 47 -9.751 8.102 -17.469
349 HG23 VAL 47 HG23 VAL 47 -10.333 8.332 -15.807
350 HA PRO 48 HA PRO 48 -9.984 9.080 -22.087
351 HB2 PRO 48 HB2 PRO 48 -8.977 11.540 -20.683
352 HB3 PRO 48 HB3 PRO 48 -9.462 11.338 -22.398
353 HG2 PRO 48 HG2 PRO 48 -11.106 12.574 -20.614
354 HG3 PRO 48 HG3 PRO 48 -11.767 11.453 -21.851
355 HD2 PRO 48 HD2 PRO 48 -11.222 10.945 -18.930
356 HD3 PRO 48 HD3 PRO 48 -12.606 10.401 -19.938
357 H ARG 49 H ARG 49 -7.772 8.679 -22.520
358 HA ARG 49 HA ARG 49 -5.919 8.361 -20.259
359 HB2 ARG 49 HB2 ARG 49 -7.344 6.339 -20.160
360 HB3 ARG 49 HB3 ARG 49 -6.970 5.992 -21.857
361 HG2 ARG 49 HG2 ARG 49 -4.561 5.769 -21.275
362 HG3 ARG 49 HG3 ARG 49 -4.952 6.117 -19.574
363 HD2 ARG 49 HD2 ARG 49 -6.508 4.155 -19.574
364 HD3 ARG 49 HD3 ARG 49 -6.000 3.776 -21.226
365 HE ARG 49 HE ARG 49 -4.535 3.280 -18.755
366 HH11 ARG 49 HH11 ARG 49 -4.246 3.716 -22.249
367 HH12 ARG 49 HH12 ARG 49 -2.722 2.861 -22.346
368 HH21 ARG 49 HH21 ARG 49 -2.555 2.189 -18.905
369 HH22 ARG 49 HH22 ARG 49 -1.768 1.989 -20.454
Start of MODEL 4
1 H1 MET 1 H1 MET 1 2.541 -0.425 -0.728
2 H2 MET 1 H2 MET 1 3.905 -0.272 0.180
3 H3 MET 1 H3 MET 1 3.518 -1.730 -0.487
4 HA MET 1 HA MET 1 3.824 -0.895 -2.680
5 HB2 MET 1 HB2 MET 1 3.191 1.399 -2.406
6 HB3 MET 1 HB3 MET 1 4.441 1.658 -1.176
7 HG2 MET 1 HG2 MET 1 5.207 2.647 -3.223
8 HG3 MET 1 HG3 MET 1 6.195 1.234 -2.898
9 HE1 MET 1 HE1 MET 1 3.863 3.094 -5.260
10 HE2 MET 1 HE2 MET 1 3.137 1.837 -6.294
11 HE3 MET 1 HE3 MET 1 2.667 1.968 -4.580
12 H ILE 2 H ILE 2 5.753 -1.473 -3.635
13 HA ILE 2 HA ILE 2 8.211 -1.131 -2.041
14 HB ILE 2 HB ILE 2 7.090 -3.521 -1.903
15 HG12 ILE 2 HG12 ILE 2 10.040 -3.294 -2.616
16 HG13 ILE 2 HG13 ILE 2 9.356 -2.681 -1.095
17 HG21 ILE 2 HG21 ILE 2 8.681 -3.769 -4.486
18 HG22 ILE 2 HG22 ILE 2 7.836 -5.069 -3.632
19 HG23 ILE 2 HG23 ILE 2 6.899 -3.769 -4.401
20 HD11 ILE 2 HD11 ILE 2 10.261 -4.929 -0.746
21 HD12 ILE 2 HD12 ILE 2 8.495 -4.930 -0.548
22 HD13 ILE 2 HD13 ILE 2 9.228 -5.573 -2.043
23 H LEU 3 H LEU 3 9.995 -0.634 -3.290
24 HA LEU 3 HA LEU 3 9.575 -0.492 -6.238
25 HB2 LEU 3 HB2 LEU 3 10.534 1.711 -4.375
26 HB3 LEU 3 HB3 LEU 3 10.619 1.795 -6.139
27 HG LEU 3 HG LEU 3 7.991 1.356 -4.642
28 HD11 LEU 3 HD11 LEU 3 9.207 3.940 -5.676
29 HD12 LEU 3 HD12 LEU 3 7.589 3.746 -4.958
30 HD13 LEU 3 HD13 LEU 3 9.030 3.492 -3.957
31 HD21 LEU 3 HD21 LEU 3 7.999 0.732 -7.049
32 HD22 LEU 3 HD22 LEU 3 7.035 2.197 -6.764
33 HD23 LEU 3 HD23 LEU 3 8.671 2.331 -7.450
34 H THR 4 H THR 4 11.425 -0.750 -7.484
35 HA THR 4 HA THR 4 13.767 -1.763 -6.035
36 HB THR 4 HB THR 4 13.492 -1.727 -9.029
37 HG1 THR 4 HG1 THR 4 12.461 -3.727 -8.802
38 HG21 THR 4 HG21 THR 4 14.868 -3.768 -8.820
39 HG22 THR 4 HG22 THR 4 15.668 -2.384 -8.057
40 HG23 THR 4 HG23 THR 4 14.847 -3.600 -7.047
41 H CYS 5 H CYS 5 15.730 -0.835 -5.882
42 HA CYS 5 HA CYS 5 15.945 1.961 -6.621
43 HB2 CYS 5 HB2 CYS 5 16.850 1.101 -4.516
44 HB3 CYS 5 HB3 CYS 5 17.933 0.009 -5.409
45 HA PRO 6 HA PRO 6 17.849 1.201 -10.607
46 HB2 PRO 6 HB2 PRO 6 18.947 3.949 -10.256
47 HB3 PRO 6 HB3 PRO 6 17.949 3.296 -11.590
48 HG2 PRO 6 HG2 PRO 6 16.915 5.011 -9.726
49 HG3 PRO 6 HG3 PRO 6 15.952 3.653 -10.400
50 HD2 PRO 6 HD2 PRO 6 17.383 3.794 -7.749
51 HD3 PRO 6 HD3 PRO 6 15.772 3.120 -8.151
52 H GLU 7 H GLU 7 19.468 2.093 -7.641
53 HA GLU 7 HA GLU 7 22.132 1.597 -8.894
54 HB2 GLU 7 HB2 GLU 7 21.409 3.094 -6.349
55 HB3 GLU 7 HB3 GLU 7 23.037 2.899 -6.998
56 HG2 GLU 7 HG2 GLU 7 20.734 4.285 -8.443
57 HG3 GLU 7 HG3 GLU 7 22.009 5.116 -7.546
58 H CYS 8 H CYS 8 20.105 0.861 -6.000
59 HA CYS 8 HA CYS 8 22.108 -1.032 -5.023
60 HB2 CYS 8 HB2 CYS 8 19.247 -0.542 -4.097
61 HB3 CYS 8 HB3 CYS 8 20.461 -1.535 -3.277
62 H ALA 9 H ALA 9 19.542 -1.073 -7.313
63 HA ALA 9 HA ALA 9 18.477 -2.702 -8.479
64 HB1 ALA 9 HB1 ALA 9 21.030 -4.243 -7.887
65 HB2 ALA 9 HB2 ALA 9 19.859 -4.601 -9.176
66 HB3 ALA 9 HB3 ALA 9 20.792 -3.086 -9.218
67 H SER 10 H SER 10 17.724 -2.514 -5.771
68 HA SER 10 HA SER 10 16.866 -5.285 -5.211
69 HB2 SER 10 HB2 SER 10 19.004 -4.822 -3.986
70 HB3 SER 10 HB3 SER 10 18.198 -3.472 -3.163
71 HG SER 10 HG SER 10 18.113 -5.426 -1.951
72 H ARG 11 H ARG 11 15.122 -5.314 -3.545
73 HA ARG 11 HA ARG 11 13.260 -3.132 -4.175
74 HB2 ARG 11 HB2 ARG 11 12.946 -5.793 -2.732
75 HB3 ARG 11 HB3 ARG 11 11.622 -4.641 -3.004
76 HG2 ARG 11 HG2 ARG 11 12.084 -4.745 -5.464
77 HG3 ARG 11 HG3 ARG 11 13.284 -6.020 -5.155
78 HD2 ARG 11 HD2 ARG 11 10.327 -6.130 -4.413
79 HD3 ARG 11 HD3 ARG 11 11.059 -6.936 -5.805
80 HE ARG 11 HE ARG 11 11.255 -7.730 -2.983
81 HH11 ARG 11 HH11 ARG 11 12.529 -8.114 -6.260
82 HH12 ARG 11 HH12 ARG 11 13.240 -9.678 -5.931
83 HH21 ARG 11 HH21 ARG 11 12.208 -9.764 -2.570
84 HH22 ARG 11 HH22 ARG 11 13.071 -10.603 -3.841
85 H TYR 12 H TYR 12 12.100 -1.921 -2.677
86 HA TYR 12 HA TYR 12 12.759 -2.094 0.151
87 HB2 TYR 12 HB2 TYR 12 14.562 -0.710 -0.373
88 HB3 TYR 12 HB3 TYR 12 13.629 0.220 -1.546
89 HD1 TYR 12 HD1 TYR 12 14.225 -0.345 2.064
90 HD2 TYR 12 HD2 TYR 12 12.231 2.062 -0.889
91 HE1 TYR 12 HE1 TYR 12 13.707 1.346 3.803
92 HE2 TYR 12 HE2 TYR 12 11.744 3.782 0.834
93 HH TYR 12 HH TYR 12 12.715 3.370 4.262
94 H PHE 13 H PHE 13 11.164 -1.353 1.516
95 HA PHE 13 HA PHE 13 8.697 -0.790 0.011
96 HB2 PHE 13 HB2 PHE 13 7.577 -1.726 2.118
97 HB3 PHE 13 HB3 PHE 13 8.369 -2.808 0.979
98 HD1 PHE 13 HD1 PHE 13 8.628 -1.254 4.320
99 HD2 PHE 13 HD2 PHE 13 10.360 -4.044 1.547
100 HE1 PHE 13 HE1 PHE 13 10.028 -2.191 6.140
101 HE2 PHE 13 HE2 PHE 13 11.764 -4.984 3.364
102 HZ PHE 13 HZ PHE 13 11.595 -4.062 5.665
103 H VAL 14 H VAL 14 7.057 0.532 0.649
104 HA VAL 14 HA VAL 14 7.545 2.450 2.830
105 HB VAL 14 HB VAL 14 7.108 4.362 1.380
106 HG11 VAL 14 HG11 VAL 14 9.463 3.640 1.726
107 HG12 VAL 14 HG12 VAL 14 9.372 2.684 0.225
108 HG13 VAL 14 HG13 VAL 14 9.217 4.450 0.163
109 HG21 VAL 14 HG21 VAL 14 7.121 4.110 -1.092
110 HG22 VAL 14 HG22 VAL 14 7.168 2.343 -0.904
111 HG23 VAL 14 HG23 VAL 14 5.744 3.264 -0.356
112 H ASP 15 H ASP 15 5.535 3.779 3.213
113 HA ASP 15 HA ASP 15 3.250 2.081 3.343
114 HB2 ASP 15 HB2 ASP 15 3.805 3.929 4.929
115 HB3 ASP 15 HB3 ASP 15 3.487 5.103 3.645
116 H ASP 16 H ASP 16 1.179 2.349 2.273
117 HA ASP 16 HA ASP 16 1.427 2.741 -0.553
118 HB2 ASP 16 HB2 ASP 16 -1.007 2.421 1.237
119 HB3 ASP 16 HB3 ASP 16 -1.041 2.376 -0.534
120 H SER 17 H SER 17 1.011 5.010 1.974
121 HA SER 17 HA SER 17 -0.528 6.939 0.405
122 HB2 SER 17 HB2 SER 17 -0.753 6.793 2.851
123 HB3 SER 17 HB3 SER 17 0.974 7.161 3.042
124 HG SER 17 HG SER 17 -1.003 8.840 1.890
125 H LYS 18 H LYS 18 2.792 5.942 0.624
126 HA LYS 18 HA LYS 18 4.034 8.491 0.194
127 HB2 LYS 18 HB2 LYS 18 5.192 6.571 1.172
128 HB3 LYS 18 HB3 LYS 18 4.950 5.635 -0.314
129 HG2 LYS 18 HG2 LYS 18 7.229 6.536 -0.150
130 HG3 LYS 18 HG3 LYS 18 6.376 7.172 -1.567
131 HD2 LYS 18 HD2 LYS 18 5.883 9.269 -0.335
132 HD3 LYS 18 HD3 LYS 18 6.708 8.619 1.102
133 HE2 LYS 18 HE2 LYS 18 8.798 8.431 -0.196
134 HE3 LYS 18 HE3 LYS 18 7.974 9.057 -1.635
135 HZ1 LYS 18 HZ1 LYS 18 9.178 10.784 -0.505
136 HZ2 LYS 18 HZ2 LYS 18 7.567 11.098 -0.450
137 HZ3 LYS 18 HZ3 LYS 18 8.344 10.532 0.886
138 H VAL 19 H VAL 19 2.260 6.348 -1.878
139 HA VAL 19 HA VAL 19 3.155 7.918 -4.234
140 HB VAL 19 HB VAL 19 2.781 4.906 -4.252
141 HG11 VAL 19 HG11 VAL 19 3.855 5.120 -6.487
142 HG12 VAL 19 HG12 VAL 19 2.323 6.016 -6.406
143 HG13 VAL 19 HG13 VAL 19 3.875 6.884 -6.300
144 HG21 VAL 19 HG21 VAL 19 5.330 6.571 -4.205
145 HG22 VAL 19 HG22 VAL 19 4.791 5.416 -2.962
146 HG23 VAL 19 HG23 VAL 19 5.255 4.826 -4.567
147 H GLY 20 H GLY 20 1.606 8.347 -5.770
148 HA2 GLY 20 HA2 GLY 20 -1.150 7.343 -5.208
149 HA3 GLY 20 HA3 GLY 20 -0.831 9.047 -5.557
150 HA PRO 21 HA PRO 21 -1.636 6.597 -9.485
151 HB2 PRO 21 HB2 PRO 21 -3.934 7.886 -10.276
152 HB3 PRO 21 HB3 PRO 21 -3.927 6.481 -9.167
153 HG2 PRO 21 HG2 PRO 21 -4.136 9.420 -8.484
154 HG3 PRO 21 HG3 PRO 21 -5.051 8.042 -7.790
155 HD2 PRO 21 HD2 PRO 21 -2.849 9.186 -6.585
156 HD3 PRO 21 HD3 PRO 21 -3.273 7.457 -6.380
157 H ASP 22 H ASP 22 -1.584 10.016 -8.567
158 HA ASP 22 HA ASP 22 -0.979 10.956 -11.255
159 HB2 ASP 22 HB2 ASP 22 -0.893 12.253 -8.514
160 HB3 ASP 22 HB3 ASP 22 -0.553 13.098 -10.035
161 H GLY 23 H GLY 23 0.757 9.219 -8.992
162 HA2 GLY 23 HA2 GLY 23 2.978 8.589 -9.020
163 HA3 GLY 23 HA3 GLY 23 3.316 9.799 -10.269
164 H ARG 24 H ARG 24 4.914 9.221 -7.908
165 HA ARG 24 HA ARG 24 5.250 11.928 -6.927
166 HB2 ARG 24 HB2 ARG 24 3.422 11.159 -5.470
167 HB3 ARG 24 HB3 ARG 24 4.378 9.733 -5.009
168 HG2 ARG 24 HG2 ARG 24 5.809 10.955 -3.665
169 HG3 ARG 24 HG3 ARG 24 5.669 12.419 -4.655
170 HD2 ARG 24 HD2 ARG 24 4.598 12.638 -2.408
171 HD3 ARG 24 HD3 ARG 24 3.504 12.941 -3.768
172 HE ARG 24 HE ARG 24 3.562 10.425 -2.140
173 HH11 ARG 24 HH11 ARG 24 1.867 12.703 -4.246
174 HH12 ARG 24 HH12 ARG 24 0.307 11.947 -4.010
175 HH21 ARG 24 HH21 ARG 24 1.490 9.506 -1.788
176 HH22 ARG 24 HH22 ARG 24 0.108 10.129 -2.659
177 H VAL 25 H VAL 25 7.296 12.215 -5.940
178 HA VAL 25 HA VAL 25 9.236 10.250 -6.796
179 HB VAL 25 HB VAL 25 9.508 12.734 -6.953
180 HG11 VAL 25 HG11 VAL 25 10.057 12.485 -3.963
181 HG12 VAL 25 HG12 VAL 25 10.281 13.940 -4.965
182 HG13 VAL 25 HG13 VAL 25 8.649 13.292 -4.688
183 HG21 VAL 25 HG21 VAL 25 11.426 11.166 -7.143
184 HG22 VAL 25 HG22 VAL 25 11.895 12.709 -6.407
185 HG23 VAL 25 HG23 VAL 25 11.675 11.275 -5.386
186 H VAL 26 H VAL 26 10.762 9.143 -5.556
187 HA VAL 26 HA VAL 26 10.187 8.884 -2.657
188 HB VAL 26 HB VAL 26 10.251 6.529 -2.713
189 HG11 VAL 26 HG11 VAL 26 8.647 7.375 -5.169
190 HG12 VAL 26 HG12 VAL 26 8.382 5.927 -4.181
191 HG13 VAL 26 HG13 VAL 26 8.092 7.534 -3.484
192 HG21 VAL 26 HG21 VAL 26 10.714 5.215 -4.746
193 HG22 VAL 26 HG22 VAL 26 11.005 6.726 -5.653
194 HG23 VAL 26 HG23 VAL 26 12.092 6.241 -4.330
195 H ARG 27 H ARG 27 12.028 7.560 -1.562
196 HA ARG 27 HA ARG 27 14.644 8.284 -2.777
197 HB2 ARG 27 HB2 ARG 27 14.048 10.132 -1.307
198 HB3 ARG 27 HB3 ARG 27 13.684 9.007 0.012
199 HG2 ARG 27 HG2 ARG 27 16.047 8.270 0.053
200 HG3 ARG 27 HG3 ARG 27 16.416 9.367 -1.297
201 HD2 ARG 27 HD2 ARG 27 17.071 10.413 0.811
202 HD3 ARG 27 HD3 ARG 27 15.714 11.295 0.094
203 HE ARG 27 HE ARG 27 14.366 10.675 1.888
204 HH11 ARG 27 HH11 ARG 27 17.326 8.740 1.905
205 HH12 ARG 27 HH12 ARG 27 17.017 8.074 3.496
206 HH21 ARG 27 HH21 ARG 27 13.991 9.789 3.957
207 HH22 ARG 27 HH22 ARG 27 15.131 8.658 4.645
208 H CYS 28 H CYS 28 16.309 6.928 -2.333
209 HA CYS 28 HA CYS 28 15.644 4.285 -1.319
210 HB2 CYS 28 HB2 CYS 28 17.100 4.774 -3.303
211 HB3 CYS 28 HB3 CYS 28 18.311 5.464 -2.205
212 H ALA 29 H ALA 29 16.139 3.429 0.639
213 HA ALA 29 HA ALA 29 17.274 5.159 2.707
214 HB1 ALA 29 HB1 ALA 29 15.383 3.632 3.171
215 HB2 ALA 29 HB2 ALA 29 16.414 2.240 2.751
216 HB3 ALA 29 HB3 ALA 29 16.800 3.237 4.171
217 H SER 30 H SER 30 18.577 3.121 0.290
218 HA SER 30 HA SER 30 20.815 2.259 2.039
219 HB2 SER 30 HB2 SER 30 19.703 1.170 -0.565
220 HB3 SER 30 HB3 SER 30 21.220 0.610 0.166
221 HG SER 30 HG SER 30 18.640 0.562 1.346
222 H CYS 31 H CYS 31 20.107 4.427 -0.628
223 HA CYS 31 HA CYS 31 22.955 5.126 -0.622
224 HB2 CYS 31 HB2 CYS 31 23.294 4.929 -2.988
225 HB3 CYS 31 HB3 CYS 31 22.669 3.372 -2.398
226 H GLY 32 H GLY 32 19.704 6.089 -0.691
227 HA2 GLY 32 HA2 GLY 32 18.961 8.246 -0.361
228 HA3 GLY 32 HA3 GLY 32 20.587 8.864 -0.705
229 H ASN 33 H ASN 33 19.786 6.790 -3.223
230 HA ASN 33 HA ASN 33 19.515 8.844 -5.153
231 HB2 ASN 33 HB2 ASN 33 20.333 6.489 -5.502
232 HB3 ASN 33 HB3 ASN 33 18.659 5.931 -5.335
233 HD21 ASN 33 HD22 ASN 33 18.603 5.103 -7.459
234 HD22 ASN 33 HD21 ASN 33 18.523 6.155 -8.858
235 H ARG 34 H ARG 34 17.651 9.396 -6.482
236 HA ARG 34 HA ARG 34 15.018 8.810 -5.208
237 HB2 ARG 34 HB2 ARG 34 15.951 11.537 -6.167
238 HB3 ARG 34 HB3 ARG 34 14.364 11.140 -5.476
239 HG2 ARG 34 HG2 ARG 34 15.484 10.489 -3.342
240 HG3 ARG 34 HG3 ARG 34 17.052 10.951 -4.046
241 HD2 ARG 34 HD2 ARG 34 16.170 13.255 -4.425
242 HD3 ARG 34 HD3 ARG 34 14.659 12.782 -3.628
243 HE ARG 34 HE ARG 34 17.251 12.519 -2.175
244 HH11 ARG 34 HH11 ARG 34 14.072 14.035 -2.505
245 HH12 ARG 34 HH12 ARG 34 14.137 14.789 -0.929
246 HH21 ARG 34 HH21 ARG 34 17.314 13.520 -0.124
247 HH22 ARG 34 HH22 ARG 34 15.972 14.498 0.416
248 H TRP 35 H TRP 35 13.263 8.722 -6.588
249 HA TRP 35 HA TRP 35 13.489 9.482 -9.384
250 HB2 TRP 35 HB2 TRP 35 13.127 7.261 -10.307
251 HB3 TRP 35 HB3 TRP 35 14.650 7.304 -9.418
252 HD1 TRP 35 HD1 TRP 35 11.218 5.706 -9.409
253 HE1 TRP 35 HE1 TRP 35 11.104 3.818 -7.702
254 HE3 TRP 35 HE3 TRP 35 15.701 6.474 -7.065
255 HZ2 TRP 35 HZ2 TRP 35 12.724 2.796 -5.534
256 HZ3 TRP 35 HZ3 TRP 35 16.380 5.032 -5.180
257 HH2 TRP 35 HH2 TRP 35 14.903 3.194 -4.402
258 H THR 36 H THR 36 11.395 9.195 -10.507
259 HA THR 36 HA THR 36 9.209 9.608 -8.676
260 HB THR 36 HB THR 36 8.814 9.286 -11.632
261 HG1 THR 36 HG1 THR 36 9.479 11.444 -11.823
262 HG21 THR 36 HG21 THR 36 7.179 11.093 -11.210
263 HG22 THR 36 HG22 THR 36 6.864 9.697 -10.165
264 HG23 THR 36 HG23 THR 36 7.664 11.140 -9.497
265 H ALA 37 H ALA 37 7.534 8.351 -8.095
266 HA ALA 37 HA ALA 37 7.477 5.564 -9.158
267 HB1 ALA 37 HB1 ALA 37 6.629 6.636 -6.440
268 HB2 ALA 37 HB2 ALA 37 6.572 4.938 -6.965
269 HB3 ALA 37 HB3 ALA 37 8.142 5.751 -6.775
270 H PHE 38 H PHE 38 5.274 4.569 -9.143
271 HA PHE 38 HA PHE 38 3.038 6.428 -9.014
272 HB2 PHE 38 HB2 PHE 38 2.222 5.586 -11.310
273 HB3 PHE 38 HB3 PHE 38 3.409 6.889 -11.200
274 HD1 PHE 38 HD1 PHE 38 2.909 3.339 -12.084
275 HD2 PHE 38 HD2 PHE 38 5.699 6.605 -11.952
276 HE1 PHE 38 HE1 PHE 38 4.465 2.074 -13.545
277 HE2 PHE 38 HE2 PHE 38 7.243 5.352 -13.424
278 HZ PHE 38 HZ PHE 38 6.634 3.078 -14.217
279 H LYS 39 H LYS 39 1.027 5.572 -8.667
280 HA LYS 39 HA LYS 39 1.082 2.877 -7.545
281 HB2 LYS 39 HB2 LYS 39 -0.015 4.712 -6.371
282 HB3 LYS 39 HB3 LYS 39 -1.110 4.983 -7.738
283 HG2 LYS 39 HG2 LYS 39 -2.226 2.906 -7.410
284 HG3 LYS 39 HG3 LYS 39 -0.949 2.295 -6.340
285 HD2 LYS 39 HD2 LYS 39 -2.711 4.688 -5.664
286 HD3 LYS 39 HD3 LYS 39 -3.044 3.025 -5.141
287 HE2 LYS 39 HE2 LYS 39 -0.789 2.945 -4.068
288 HE3 LYS 39 HE3 LYS 39 -0.545 4.642 -4.505
289 HZ1 LYS 39 HZ1 LYS 39 -2.673 3.611 -2.749
290 HZ2 LYS 39 HZ2 LYS 39 -1.341 4.453 -2.279
291 HZ3 LYS 39 HZ3 LYS 39 -2.491 5.187 -3.197
292 H ASP 40 H ASP 40 -0.380 1.188 -8.086
293 HA ASP 40 HA ASP 40 -1.748 1.305 -10.681
294 HB2 ASP 40 HB2 ASP 40 0.683 0.745 -11.137
295 HB3 ASP 40 HB3 ASP 40 0.481 -0.707 -10.140
296 H GLU 41 H GLU 41 -2.304 0.956 -7.727
297 HA GLU 41 HA GLU 41 -2.910 -1.818 -7.229
298 HB2 GLU 41 HB2 GLU 41 -3.783 0.797 -5.948
299 HB3 GLU 41 HB3 GLU 41 -4.239 -0.795 -5.318
300 HG2 GLU 41 HG2 GLU 41 -1.868 -1.391 -5.029
301 HG3 GLU 41 HG3 GLU 41 -1.364 0.141 -5.763
302 H ALA 42 H ALA 42 -4.521 0.652 -9.069
303 HA ALA 42 HA ALA 42 -6.783 -1.113 -9.557
304 HB1 ALA 42 HB1 ALA 42 -8.480 0.464 -8.747
305 HB2 ALA 42 HB2 ALA 42 -7.398 0.001 -7.409
306 HB3 ALA 42 HB3 ALA 42 -7.209 1.581 -8.199
307 H GLU 43 H GLU 43 -8.255 -0.182 -11.215
308 HA GLU 43 HA GLU 43 -7.286 2.138 -12.709
309 HB2 GLU 43 HB2 GLU 43 -5.832 0.358 -13.564
310 HB3 GLU 43 HB3 GLU 43 -7.223 -0.696 -13.826
311 HG2 GLU 43 HG2 GLU 43 -6.523 0.233 -15.944
312 HG3 GLU 43 HG3 GLU 43 -8.113 0.865 -15.529
313 H LEU 44 H LEU 44 -8.838 2.887 -14.268
314 HA LEU 44 HA LEU 44 -11.523 2.520 -13.411
315 HB2 LEU 44 HB2 LEU 44 -10.642 4.597 -14.382
316 HB3 LEU 44 HB3 LEU 44 -10.376 3.776 -15.932
317 HG LEU 44 HG LEU 44 -12.843 3.371 -16.119
318 HD11 LEU 44 HD11 LEU 44 -12.925 5.105 -13.609
319 HD12 LEU 44 HD12 LEU 44 -14.339 4.636 -14.581
320 HD13 LEU 44 HD13 LEU 44 -13.417 3.392 -13.711
321 HD21 LEU 44 HD21 LEU 44 -11.791 5.356 -17.141
322 HD22 LEU 44 HD22 LEU 44 -13.436 5.725 -16.575
323 HD23 LEU 44 HD23 LEU 44 -12.029 6.267 -15.631
324 H GLU 45 H GLU 45 -13.307 1.543 -14.447
325 HA GLU 45 HA GLU 45 -12.687 -0.989 -15.660
326 HB2 GLU 45 HB2 GLU 45 -15.111 -1.317 -15.620
327 HB3 GLU 45 HB3 GLU 45 -14.546 -0.646 -14.078
328 HG2 GLU 45 HG2 GLU 45 -15.222 1.629 -14.823
329 HG3 GLU 45 HG3 GLU 45 -15.821 0.949 -16.345
330 H LEU 46 H LEU 46 -12.498 1.939 -17.104
331 HA LEU 46 HA LEU 46 -14.084 1.594 -19.470
332 HB2 LEU 46 HB2 LEU 46 -13.330 3.787 -18.667
333 HB3 LEU 46 HB3 LEU 46 -11.640 3.297 -18.834
334 HG LEU 46 HG LEU 46 -11.934 3.098 -21.296
335 HD11 LEU 46 HD11 LEU 46 -14.731 4.179 -20.717
336 HD12 LEU 46 HD12 LEU 46 -14.000 4.017 -22.329
337 HD13 LEU 46 HD13 LEU 46 -14.351 2.566 -21.370
338 HD21 LEU 46 HD21 LEU 46 -12.173 5.521 -21.741
339 HD22 LEU 46 HD22 LEU 46 -12.863 5.747 -20.115
340 HD23 LEU 46 HD23 LEU 46 -11.174 5.224 -20.301
341 H VAL 47 H VAL 47 -11.033 0.271 -18.404
342 HA VAL 47 HA VAL 47 -9.901 -0.197 -20.998
343 HB VAL 47 HB VAL 47 -8.301 -1.599 -19.838
344 HG11 VAL 47 HG11 VAL 47 -7.474 0.004 -18.186
345 HG12 VAL 47 HG12 VAL 47 -8.120 0.875 -19.592
346 HG13 VAL 47 HG13 VAL 47 -9.072 0.778 -18.091
347 HG21 VAL 47 HG21 VAL 47 -9.839 -2.855 -18.385
348 HG22 VAL 47 HG22 VAL 47 -8.539 -2.110 -17.434
349 HG23 VAL 47 HG23 VAL 47 -10.162 -1.383 -17.436
350 HA PRO 48 HA PRO 48 -12.183 -3.764 -22.237
351 HB2 PRO 48 HB2 PRO 48 -10.421 -4.952 -23.961
352 HB3 PRO 48 HB3 PRO 48 -11.221 -3.389 -24.323
353 HG2 PRO 48 HG2 PRO 48 -8.437 -3.864 -23.223
354 HG3 PRO 48 HG3 PRO 48 -8.948 -2.740 -24.531
355 HD2 PRO 48 HD2 PRO 48 -8.553 -1.941 -21.926
356 HD3 PRO 48 HD3 PRO 48 -9.765 -1.177 -22.994
357 H ARG 49 H ARG 49 -9.388 -3.940 -20.287
358 HA ARG 49 HA ARG 49 -8.876 -6.755 -20.291
359 HB2 ARG 49 HB2 ARG 49 -8.382 -4.658 -18.140
360 HB3 ARG 49 HB3 ARG 49 -7.669 -6.278 -18.184
361 HG2 ARG 49 HG2 ARG 49 -6.595 -5.745 -20.362
362 HG3 ARG 49 HG3 ARG 49 -7.281 -4.106 -20.298
363 HD2 ARG 49 HD2 ARG 49 -6.076 -3.680 -18.181
364 HD3 ARG 49 HD3 ARG 49 -5.389 -5.314 -18.234
365 HE ARG 49 HE ARG 49 -4.645 -3.000 -19.917
366 HH11 ARG 49 HH11 ARG 49 -4.322 -6.464 -19.272
367 HH12 ARG 49 HH12 ARG 49 -2.847 -6.617 -20.201
368 HH21 ARG 49 HH21 ARG 49 -2.706 -3.231 -21.101
369 HH22 ARG 49 HH22 ARG 49 -1.932 -4.793 -21.219
Start of MODEL 5
1 H1 MET 1 H1 MET 1 2.292 -0.955 -0.922
2 H2 MET 1 H2 MET 1 3.612 0.015 -0.747
3 H3 MET 1 H3 MET 1 3.560 -1.436 0.016
4 HA MET 1 HA MET 1 3.623 -2.636 -2.008
5 HB2 MET 1 HB2 MET 1 3.933 -1.440 -4.138
6 HB3 MET 1 HB3 MET 1 2.379 -1.036 -3.380
7 HG2 MET 1 HG2 MET 1 3.356 1.064 -2.512
8 HG3 MET 1 HG3 MET 1 4.911 0.654 -3.249
9 HE1 MET 1 HE1 MET 1 4.948 3.040 -4.367
10 HE2 MET 1 HE2 MET 1 3.633 3.685 -5.381
11 HE3 MET 1 HE3 MET 1 3.356 3.407 -3.647
12 H ILE 2 H ILE 2 5.685 -2.389 -3.706
13 HA ILE 2 HA ILE 2 7.966 -1.447 -2.047
14 HB ILE 2 HB ILE 2 7.325 -3.975 -1.867
15 HG12 ILE 2 HG12 ILE 2 10.201 -3.387 -2.606
16 HG13 ILE 2 HG13 ILE 2 9.437 -2.713 -1.148
17 HG21 ILE 2 HG21 ILE 2 8.919 -4.024 -4.466
18 HG22 ILE 2 HG22 ILE 2 8.325 -5.427 -3.557
19 HG23 ILE 2 HG23 ILE 2 7.167 -4.336 -4.349
20 HD11 ILE 2 HD11 ILE 2 9.604 -5.683 -1.791
21 HD12 ILE 2 HD12 ILE 2 10.605 -4.808 -0.607
22 HD13 ILE 2 HD13 ILE 2 8.854 -4.957 -0.353
23 H LEU 3 H LEU 3 9.867 -0.950 -3.220
24 HA LEU 3 HA LEU 3 9.524 -0.661 -6.168
25 HB2 LEU 3 HB2 LEU 3 10.454 1.441 -4.181
26 HB3 LEU 3 HB3 LEU 3 10.504 1.616 -5.945
27 HG LEU 3 HG LEU 3 7.910 1.072 -4.424
28 HD11 LEU 3 HD11 LEU 3 9.120 3.725 -5.286
29 HD12 LEU 3 HD12 LEU 3 7.490 3.482 -4.608
30 HD13 LEU 3 HD13 LEU 3 8.926 3.158 -3.609
31 HD21 LEU 3 HD21 LEU 3 6.910 2.015 -6.486
32 HD22 LEU 3 HD22 LEU 3 8.535 2.232 -7.178
33 HD23 LEU 3 HD23 LEU 3 7.912 0.594 -6.868
34 H THR 4 H THR 4 11.474 -0.690 -7.368
35 HA THR 4 HA THR 4 13.763 -1.762 -5.844
36 HB THR 4 HB THR 4 13.577 -1.866 -8.831
37 HG1 THR 4 HG1 THR 4 12.458 -3.808 -8.582
38 HG21 THR 4 HG21 THR 4 14.880 -3.928 -8.480
39 HG22 THR 4 HG22 THR 4 15.677 -2.550 -7.699
40 HG23 THR 4 HG23 THR 4 14.753 -3.718 -6.715
41 H CYS 5 H CYS 5 15.767 -0.878 -5.786
42 HA CYS 5 HA CYS 5 15.967 1.909 -6.545
43 HB2 CYS 5 HB2 CYS 5 16.970 1.044 -4.480
44 HB3 CYS 5 HB3 CYS 5 18.026 -0.029 -5.433
45 HA PRO 6 HA PRO 6 17.673 1.137 -10.620
46 HB2 PRO 6 HB2 PRO 6 18.756 3.901 -10.332
47 HB3 PRO 6 HB3 PRO 6 17.703 3.232 -11.617
48 HG2 PRO 6 HG2 PRO 6 16.748 4.944 -9.700
49 HG3 PRO 6 HG3 PRO 6 15.762 3.576 -10.331
50 HD2 PRO 6 HD2 PRO 6 17.302 3.737 -7.750
51 HD3 PRO 6 HD3 PRO 6 15.685 3.038 -8.084
52 H GLU 7 H GLU 7 19.416 2.027 -7.733
53 HA GLU 7 HA GLU 7 22.038 1.577 -9.106
54 HB2 GLU 7 HB2 GLU 7 21.403 3.096 -6.552
55 HB3 GLU 7 HB3 GLU 7 23.011 2.883 -7.259
56 HG2 GLU 7 HG2 GLU 7 20.669 4.238 -8.646
57 HG3 GLU 7 HG3 GLU 7 21.954 5.094 -7.789
58 H CYS 8 H CYS 8 20.161 0.835 -6.105
59 HA CYS 8 HA CYS 8 22.243 -1.024 -5.218
60 HB2 CYS 8 HB2 CYS 8 19.417 -0.558 -4.165
61 HB3 CYS 8 HB3 CYS 8 20.675 -1.534 -3.388
62 H ALA 9 H ALA 9 19.563 -1.124 -7.368
63 HA ALA 9 HA ALA 9 18.426 -2.790 -8.415
64 HB1 ALA 9 HB1 ALA 9 20.994 -4.347 -7.918
65 HB2 ALA 9 HB2 ALA 9 19.747 -4.733 -9.126
66 HB3 ALA 9 HB3 ALA 9 20.699 -3.243 -9.277
67 H SER 10 H SER 10 17.926 -2.470 -5.634
68 HA SER 10 HA SER 10 17.141 -5.229 -4.861
69 HB2 SER 10 HB2 SER 10 19.260 -4.566 -3.725
70 HB3 SER 10 HB3 SER 10 18.423 -3.168 -3.029
71 HG SER 10 HG SER 10 18.403 -4.963 -1.611
72 H ARG 11 H ARG 11 15.385 -5.233 -3.250
73 HA ARG 11 HA ARG 11 13.423 -3.189 -4.010
74 HB2 ARG 11 HB2 ARG 11 13.210 -5.767 -2.421
75 HB3 ARG 11 HB3 ARG 11 11.844 -4.705 -2.812
76 HG2 ARG 11 HG2 ARG 11 12.377 -4.944 -5.242
77 HG3 ARG 11 HG3 ARG 11 13.651 -6.112 -4.820
78 HD2 ARG 11 HD2 ARG 11 11.953 -7.554 -3.726
79 HD3 ARG 11 HD3 ARG 11 10.695 -6.374 -4.138
80 HE ARG 11 HE ARG 11 10.797 -7.024 -6.391
81 HH11 ARG 11 HH11 ARG 11 13.228 -8.720 -4.458
82 HH12 ARG 11 HH12 ARG 11 13.545 -9.919 -5.693
83 HH21 ARG 11 HH21 ARG 11 11.219 -8.612 -7.977
84 HH22 ARG 11 HH22 ARG 11 12.409 -9.857 -7.684
85 H TYR 12 H TYR 12 12.193 -1.958 -2.604
86 HA TYR 12 HA TYR 12 12.764 -1.969 0.245
87 HB2 TYR 12 HB2 TYR 12 14.529 -0.536 -0.322
88 HB3 TYR 12 HB3 TYR 12 13.573 0.328 -1.520
89 HD1 TYR 12 HD1 TYR 12 14.253 -0.049 2.071
90 HD2 TYR 12 HD2 TYR 12 11.963 2.043 -0.900
91 HE1 TYR 12 HE1 TYR 12 13.646 1.679 3.760
92 HE2 TYR 12 HE2 TYR 12 11.376 3.791 0.770
93 HH TYR 12 HH TYR 12 11.584 4.493 2.931
94 H PHE 13 H PHE 13 11.062 -1.326 1.493
95 HA PHE 13 HA PHE 13 8.629 -1.027 -0.114
96 HB2 PHE 13 HB2 PHE 13 7.499 -1.709 2.080
97 HB3 PHE 13 HB3 PHE 13 8.402 -2.896 1.142
98 HD1 PHE 13 HD2 PHE 13 8.496 -0.784 4.194
99 HD2 PHE 13 HD1 PHE 13 10.377 -3.948 1.977
100 HE1 PHE 13 HE2 PHE 13 9.901 -1.328 6.163
101 HE2 PHE 13 HE1 PHE 13 11.791 -4.486 3.941
102 HZ PHE 13 HZ PHE 13 11.546 -3.185 6.041
103 H VAL 14 H VAL 14 6.878 0.258 0.290
104 HA VAL 14 HA VAL 14 7.263 2.551 2.105
105 HB VAL 14 HB VAL 14 6.704 4.158 0.386
106 HG11 VAL 14 HG11 VAL 14 9.104 3.558 0.710
107 HG12 VAL 14 HG12 VAL 14 8.970 2.373 -0.609
108 HG13 VAL 14 HG13 VAL 14 8.750 4.100 -0.949
109 HG21 VAL 14 HG21 VAL 14 6.586 3.506 -2.009
110 HG22 VAL 14 HG22 VAL 14 6.707 1.794 -1.538
111 HG23 VAL 14 HG23 VAL 14 5.289 2.760 -1.060
112 H ASP 15 H ASP 15 5.249 3.643 2.623
113 HA ASP 15 HA ASP 15 3.007 1.868 2.742
114 HB2 ASP 15 HB2 ASP 15 3.288 4.826 3.352
115 HB3 ASP 15 HB3 ASP 15 1.842 3.867 3.693
116 H ASP 16 H ASP 16 0.900 2.117 1.810
117 HA ASP 16 HA ASP 16 1.014 2.825 -0.978
118 HB2 ASP 16 HB2 ASP 16 -1.303 2.074 0.837
119 HB3 ASP 16 HB3 ASP 16 -1.435 2.287 -0.914
120 H SER 17 H SER 17 0.520 4.726 1.817
121 HA SER 17 HA SER 17 -1.131 6.739 0.432
122 HB2 SER 17 HB2 SER 17 0.148 6.668 3.193
123 HB3 SER 17 HB3 SER 17 -0.937 7.944 2.599
124 HG SER 17 HG SER 17 -2.576 6.442 2.432
125 H LYS 18 H LYS 18 2.184 5.908 0.584
126 HA LYS 18 HA LYS 18 3.261 8.592 0.630
127 HB2 LYS 18 HB2 LYS 18 4.518 6.659 1.463
128 HB3 LYS 18 HB3 LYS 18 4.413 5.873 -0.121
129 HG2 LYS 18 HG2 LYS 18 6.620 6.847 0.215
130 HG3 LYS 18 HG3 LYS 18 5.780 7.636 -1.128
131 HD2 LYS 18 HD2 LYS 18 5.124 9.496 0.465
132 HD3 LYS 18 HD3 LYS 18 6.096 8.693 1.720
133 HE2 LYS 18 HE2 LYS 18 7.419 10.458 0.679
134 HE3 LYS 18 HE3 LYS 18 8.095 8.880 0.241
135 HZ1 LYS 18 HZ1 LYS 18 6.912 9.035 -1.849
136 HZ2 LYS 18 HZ2 LYS 18 6.314 10.512 -1.438
137 HZ3 LYS 18 HZ3 LYS 18 7.932 10.314 -1.666
138 H VAL 19 H VAL 19 1.685 6.688 -1.759
139 HA VAL 19 HA VAL 19 2.646 8.507 -3.888
140 HB VAL 19 HB VAL 19 2.507 5.496 -4.244
141 HG11 VAL 19 HG11 VAL 19 3.742 6.018 -6.341
142 HG12 VAL 19 HG12 VAL 19 2.133 6.763 -6.310
143 HG13 VAL 19 HG13 VAL 19 3.578 7.756 -5.984
144 HG21 VAL 19 HG21 VAL 19 4.922 7.299 -3.808
145 HG22 VAL 19 HG22 VAL 19 4.373 5.977 -2.751
146 HG23 VAL 19 HG23 VAL 19 5.002 5.614 -4.369
147 H GLY 20 H GLY 20 1.197 8.798 -5.629
148 HA2 GLY 20 HA2 GLY 20 -1.542 7.675 -5.199
149 HA3 GLY 20 HA3 GLY 20 -1.270 9.389 -5.558
150 HA PRO 21 HA PRO 21 -1.855 6.919 -9.499
151 HB2 PRO 21 HB2 PRO 21 -4.029 8.321 -10.450
152 HB3 PRO 21 HB3 PRO 21 -4.160 6.915 -9.350
153 HG2 PRO 21 HG2 PRO 21 -4.273 9.859 -8.678
154 HG3 PRO 21 HG3 PRO 21 -5.307 8.529 -8.056
155 HD2 PRO 21 HD2 PRO 21 -3.159 9.550 -6.670
156 HD3 PRO 21 HD3 PRO 21 -3.656 7.839 -6.531
157 H ASP 22 H ASP 22 -1.483 10.259 -8.528
158 HA ASP 22 HA ASP 22 -0.748 11.159 -11.213
159 HB2 ASP 22 HB2 ASP 22 -0.237 13.313 -9.993
160 HB3 ASP 22 HB3 ASP 22 -1.919 12.768 -9.978
161 H GLY 23 H GLY 23 0.788 9.340 -8.887
162 HA2 GLY 23 HA2 GLY 23 2.958 8.580 -8.863
163 HA3 GLY 23 HA3 GLY 23 3.391 9.755 -10.122
164 H ARG 24 H ARG 24 4.894 9.074 -7.697
165 HA ARG 24 HA ARG 24 5.212 11.778 -6.598
166 HB2 ARG 24 HB2 ARG 24 3.458 10.400 -5.210
167 HB3 ARG 24 HB3 ARG 24 4.863 9.446 -4.694
168 HG2 ARG 24 HG2 ARG 24 4.694 11.108 -3.020
169 HG3 ARG 24 HG3 ARG 24 5.921 11.777 -4.113
170 HD2 ARG 24 HD2 ARG 24 4.455 13.585 -3.722
171 HD3 ARG 24 HD3 ARG 24 3.920 12.966 -5.292
172 HE ARG 24 HE ARG 24 2.562 12.570 -2.657
173 HH11 ARG 24 HH11 ARG 24 2.455 12.392 -6.200
174 HH12 ARG 24 HH12 ARG 24 0.732 12.115 -6.235
175 HH21 ARG 24 HH21 ARG 24 0.323 12.196 -2.761
176 HH22 ARG 24 HH22 ARG 24 -0.462 12.018 -4.316
177 H VAL 25 H VAL 25 7.348 12.115 -5.856
178 HA VAL 25 HA VAL 25 9.286 10.165 -6.766
179 HB VAL 25 HB VAL 25 9.595 12.621 -6.958
180 HG11 VAL 25 HG11 VAL 25 8.632 13.242 -4.754
181 HG12 VAL 25 HG12 VAL 25 10.023 12.478 -3.945
182 HG13 VAL 25 HG13 VAL 25 10.269 13.903 -4.983
183 HG21 VAL 25 HG21 VAL 25 11.951 12.647 -6.320
184 HG22 VAL 25 HG22 VAL 25 11.715 11.247 -5.254
185 HG23 VAL 25 HG23 VAL 25 11.532 11.069 -7.017
186 H VAL 26 H VAL 26 10.817 9.022 -5.570
187 HA VAL 26 HA VAL 26 10.324 8.822 -2.651
188 HB VAL 26 HB VAL 26 10.384 6.459 -2.666
189 HG11 VAL 26 HG11 VAL 26 8.743 7.264 -5.108
190 HG12 VAL 26 HG12 VAL 26 8.502 5.829 -4.096
191 HG13 VAL 26 HG13 VAL 26 8.222 7.449 -3.414
192 HG21 VAL 26 HG21 VAL 26 11.096 6.615 -5.626
193 HG22 VAL 26 HG22 VAL 26 12.196 6.140 -4.312
194 HG23 VAL 26 HG23 VAL 26 10.797 5.121 -4.714
195 H ARG 27 H ARG 27 12.225 7.428 -1.623
196 HA ARG 27 HA ARG 27 14.784 8.134 -2.933
197 HB2 ARG 27 HB2 ARG 27 15.638 9.147 -0.878
198 HB3 ARG 27 HB3 ARG 27 14.225 10.028 -1.479
199 HG2 ARG 27 HG2 ARG 27 12.789 8.866 0.177
200 HG3 ARG 27 HG3 ARG 27 14.199 7.947 0.760
201 HD2 ARG 27 HD2 ARG 27 15.331 10.085 1.336
202 HD3 ARG 27 HD3 ARG 27 13.893 10.976 0.808
203 HE ARG 27 HE ARG 27 12.778 10.360 2.753
204 HH11 ARG 27 HH11 ARG 27 15.801 8.526 2.465
205 HH12 ARG 27 HH12 ARG 27 15.724 7.929 4.105
206 HH21 ARG 27 HH21 ARG 27 12.717 9.553 4.887
207 HH22 ARG 27 HH22 ARG 27 13.989 8.498 5.468
208 H CYS 28 H CYS 28 16.546 6.902 -2.314
209 HA CYS 28 HA CYS 28 15.917 4.231 -1.382
210 HB2 CYS 28 HB2 CYS 28 17.552 4.934 -3.221
211 HB3 CYS 28 HB3 CYS 28 18.649 5.446 -1.933
212 H ALA 29 H ALA 29 16.858 3.181 0.451
213 HA ALA 29 HA ALA 29 17.088 4.926 2.779
214 HB1 ALA 29 HB1 ALA 29 15.830 2.814 2.858
215 HB2 ALA 29 HB2 ALA 29 17.321 1.909 2.465
216 HB3 ALA 29 HB3 ALA 29 17.194 2.793 4.001
217 H SER 30 H SER 30 19.303 3.359 0.544
218 HA SER 30 HA SER 30 21.486 3.626 2.557
219 HB2 SER 30 HB2 SER 30 22.634 1.859 1.251
220 HB3 SER 30 HB3 SER 30 21.091 1.317 1.947
221 HG SER 30 HG SER 30 21.357 0.734 -0.270
222 H CYS 31 H CYS 31 20.996 3.799 -1.052
223 HA CYS 31 HA CYS 31 23.558 5.219 -1.190
224 HB2 CYS 31 HB2 CYS 31 23.511 4.822 -3.514
225 HB3 CYS 31 HB3 CYS 31 22.889 3.345 -2.741
226 H GLY 32 H GLY 32 20.269 6.094 -0.905
227 HA2 GLY 32 HA2 GLY 32 19.433 8.225 -0.566
228 HA3 GLY 32 HA3 GLY 32 21.025 8.899 -0.983
229 H ASN 33 H ASN 33 20.100 6.760 -3.422
230 HA ASN 33 HA ASN 33 19.687 8.791 -5.367
231 HB2 ASN 33 HB2 ASN 33 20.536 6.456 -5.755
232 HB3 ASN 33 HB3 ASN 33 18.900 5.853 -5.457
233 HD21 ASN 33 HD22 ASN 33 18.583 5.021 -7.540
234 HD22 ASN 33 HD21 ASN 33 18.419 6.049 -8.947
235 H ARG 34 H ARG 34 17.750 9.296 -6.570
236 HA ARG 34 HA ARG 34 15.189 8.593 -5.225
237 HB2 ARG 34 HB2 ARG 34 15.985 11.398 -6.095
238 HB3 ARG 34 HB3 ARG 34 14.442 10.909 -5.364
239 HG2 ARG 34 HG2 ARG 34 15.756 10.133 -3.332
240 HG3 ARG 34 HG3 ARG 34 17.198 10.865 -4.070
241 HD2 ARG 34 HD2 ARG 34 16.257 12.471 -2.538
242 HD3 ARG 34 HD3 ARG 34 15.953 13.051 -4.190
243 HE ARG 34 HE ARG 34 13.649 11.842 -3.817
244 HH11 ARG 34 HH11 ARG 34 15.488 13.671 -1.421
245 HH12 ARG 34 HH12 ARG 34 14.073 14.138 -0.505
246 HH21 ARG 34 HH21 ARG 34 11.812 12.447 -2.600
247 HH22 ARG 34 HH22 ARG 34 11.990 13.449 -1.179
248 H TRP 35 H TRP 35 13.376 8.567 -6.558
249 HA TRP 35 HA TRP 35 13.559 9.296 -9.372
250 HB2 TRP 35 HB2 TRP 35 13.232 7.064 -10.252
251 HB3 TRP 35 HB3 TRP 35 14.728 7.107 -9.333
252 HD1 TRP 35 HD1 TRP 35 11.333 5.493 -9.455
253 HE1 TRP 35 HE1 TRP 35 11.120 3.656 -7.705
254 HE3 TRP 35 HE3 TRP 35 15.635 6.380 -6.831
255 HZ2 TRP 35 HZ2 TRP 35 12.596 2.709 -5.405
256 HZ3 TRP 35 HZ3 TRP 35 16.178 5.010 -4.844
257 HH2 TRP 35 HH2 TRP 35 14.676 3.173 -4.132
258 H THR 36 H THR 36 11.436 9.003 -10.447
259 HA THR 36 HA THR 36 9.294 9.417 -8.566
260 HB THR 36 HB THR 36 8.816 9.077 -11.501
261 HG1 THR 36 HG1 THR 36 9.483 11.227 -11.741
262 HG21 THR 36 HG21 THR 36 7.738 10.927 -9.324
263 HG22 THR 36 HG22 THR 36 7.228 10.944 -11.028
264 HG23 THR 36 HG23 THR 36 6.903 9.518 -10.018
265 H ALA 37 H ALA 37 7.560 8.188 -8.028
266 HA ALA 37 HA ALA 37 7.461 5.416 -9.127
267 HB1 ALA 37 HB1 ALA 37 6.711 4.698 -6.898
268 HB2 ALA 37 HB2 ALA 37 8.317 5.459 -6.813
269 HB3 ALA 37 HB3 ALA 37 6.872 6.364 -6.297
270 H PHE 38 H PHE 38 5.224 4.453 -8.944
271 HA PHE 38 HA PHE 38 3.072 6.400 -8.710
272 HB2 PHE 38 HB2 PHE 38 2.131 5.629 -10.966
273 HB3 PHE 38 HB3 PHE 38 3.386 6.867 -10.903
274 HD1 PHE 38 HD1 PHE 38 2.659 3.361 -11.803
275 HD2 PHE 38 HD2 PHE 38 5.651 6.453 -11.715
276 HE1 PHE 38 HE1 PHE 38 4.084 2.026 -13.328
277 HE2 PHE 38 HE2 PHE 38 7.077 5.114 -13.236
278 HZ PHE 38 HZ PHE 38 6.293 2.908 -14.054
279 H LYS 39 H LYS 39 1.022 5.641 -8.372
280 HA LYS 39 HA LYS 39 0.919 3.016 -7.163
281 HB2 LYS 39 HB2 LYS 39 -0.250 4.907 -6.189
282 HB3 LYS 39 HB3 LYS 39 -1.186 5.154 -7.676
283 HG2 LYS 39 HG2 LYS 39 -2.415 3.133 -7.380
284 HG3 LYS 39 HG3 LYS 39 -1.293 2.534 -6.141
285 HD2 LYS 39 HD2 LYS 39 -3.008 5.027 -5.805
286 HD3 LYS 39 HD3 LYS 39 -3.476 3.409 -5.234
287 HE2 LYS 39 HE2 LYS 39 -1.401 3.285 -3.884
288 HE3 LYS 39 HE3 LYS 39 -0.960 4.918 -4.411
289 HZ1 LYS 39 HZ1 LYS 39 -2.962 5.730 -3.375
290 HZ2 LYS 39 HZ2 LYS 39 -3.361 4.211 -2.869
291 HZ3 LYS 39 HZ3 LYS 39 -2.016 4.946 -2.282
292 H ASP 40 H ASP 40 -0.602 1.331 -7.736
293 HA ASP 40 HA ASP 40 -1.305 1.297 -10.636
294 HB2 ASP 40 HB2 ASP 40 0.821 0.087 -10.203
295 HB3 ASP 40 HB3 ASP 40 -0.008 -0.937 -9.029
296 H GLU 41 H GLU 41 -2.267 0.916 -7.358
297 HA GLU 41 HA GLU 41 -4.351 -1.031 -7.731
298 HB2 GLU 41 HB2 GLU 41 -3.320 -0.527 -5.558
299 HB3 GLU 41 HB3 GLU 41 -3.900 1.150 -5.655
300 HG2 GLU 41 HG2 GLU 41 -6.214 0.403 -5.596
301 HG3 GLU 41 HG3 GLU 41 -5.699 -1.297 -5.668
302 H ALA 42 H ALA 42 -3.943 2.317 -8.560
303 HA ALA 42 HA ALA 42 -6.653 2.490 -9.618
304 HB1 ALA 42 HB1 ALA 42 -6.993 3.135 -7.251
305 HB2 ALA 42 HB2 ALA 42 -5.706 4.354 -7.402
306 HB3 ALA 42 HB3 ALA 42 -7.215 4.524 -8.336
307 H GLU 43 H GLU 43 -6.933 4.568 -10.824
308 HA GLU 43 HA GLU 43 -4.453 6.016 -11.485
309 HB2 GLU 43 HB2 GLU 43 -4.379 4.041 -12.935
310 HB3 GLU 43 HB3 GLU 43 -6.018 4.383 -13.524
311 HG2 GLU 43 HG2 GLU 43 -5.270 6.472 -14.542
312 HG3 GLU 43 HG3 GLU 43 -3.653 6.275 -13.836
313 H LEU 44 H LEU 44 -7.907 5.682 -11.344
314 HA LEU 44 HA LEU 44 -8.240 8.546 -12.060
315 HB2 LEU 44 HB2 LEU 44 -9.879 6.214 -13.133
316 HB3 LEU 44 HB3 LEU 44 -10.336 7.916 -13.295
317 HG LEU 44 HG LEU 44 -7.740 6.742 -14.391
318 HD11 LEU 44 HD11 LEU 44 -10.368 7.382 -15.790
319 HD12 LEU 44 HD12 LEU 44 -8.859 6.869 -16.584
320 HD13 LEU 44 HD13 LEU 44 -9.711 5.755 -15.494
321 HD21 LEU 44 HD21 LEU 44 -7.667 9.186 -13.964
322 HD22 LEU 44 HD22 LEU 44 -7.705 8.848 -15.705
323 HD23 LEU 44 HD23 LEU 44 -9.181 9.393 -14.873
324 H GLU 45 H GLU 45 -10.403 9.352 -11.328
325 HA GLU 45 HA GLU 45 -10.845 8.605 -8.585
326 HB2 GLU 45 HB2 GLU 45 -12.453 10.365 -10.478
327 HB3 GLU 45 HB3 GLU 45 -12.703 10.267 -8.731
328 HG2 GLU 45 HG2 GLU 45 -10.110 11.130 -10.086
329 HG3 GLU 45 HG3 GLU 45 -11.327 12.231 -9.421
330 H LEU 46 H LEU 46 -12.922 7.945 -7.655
331 HA LEU 46 HA LEU 46 -13.907 5.568 -8.899
332 HB2 LEU 46 HB2 LEU 46 -13.766 5.844 -6.467
333 HB3 LEU 46 HB3 LEU 46 -14.907 7.200 -6.534
334 HG LEU 46 HG LEU 46 -16.668 5.650 -7.396
335 HD11 LEU 46 HD11 LEU 46 -14.558 3.517 -6.840
336 HD12 LEU 46 HD12 LEU 46 -16.267 3.206 -7.224
337 HD13 LEU 46 HD13 LEU 46 -15.209 3.940 -8.443
338 HD21 LEU 46 HD21 LEU 46 -16.435 6.134 -4.982
339 HD22 LEU 46 HD22 LEU 46 -17.025 4.480 -5.267
340 HD23 LEU 46 HD23 LEU 46 -15.326 4.750 -4.818
341 H VAL 47 H VAL 47 -15.968 5.118 -9.786
342 HA VAL 47 HA VAL 47 -17.008 7.198 -11.430
343 HB VAL 47 HB VAL 47 -18.525 5.550 -12.278
344 HG11 VAL 47 HG11 VAL 47 -15.974 4.115 -11.423
345 HG12 VAL 47 HG12 VAL 47 -17.019 3.709 -12.805
346 HG13 VAL 47 HG13 VAL 47 -16.104 5.232 -12.799
347 HG21 VAL 47 HG21 VAL 47 -19.434 4.689 -10.169
348 HG22 VAL 47 HG22 VAL 47 -18.841 3.357 -11.178
349 HG23 VAL 47 HG23 VAL 47 -17.874 3.917 -9.793
350 HA PRO 48 HA PRO 48 -20.089 9.024 -8.869
351 HB2 PRO 48 HB2 PRO 48 -21.960 9.799 -10.731
352 HB3 PRO 48 HB3 PRO 48 -20.373 10.612 -10.521
353 HG2 PRO 48 HG2 PRO 48 -21.171 8.530 -12.567
354 HG3 PRO 48 HG3 PRO 48 -20.224 10.035 -12.812
355 HD2 PRO 48 HD2 PRO 48 -19.044 7.572 -12.533
356 HD3 PRO 48 HD3 PRO 48 -18.274 9.068 -11.930
357 H ARG 49 H ARG 49 -22.321 8.759 -8.130
358 HA ARG 49 HA ARG 49 -23.145 5.989 -8.137
359 HB2 ARG 49 HB2 ARG 49 -24.564 8.471 -7.080
360 HB3 ARG 49 HB3 ARG 49 -24.951 6.792 -6.671
361 HG2 ARG 49 HG2 ARG 49 -22.320 8.215 -6.060
362 HG3 ARG 49 HG3 ARG 49 -23.609 7.847 -4.897
363 HD2 ARG 49 HD2 ARG 49 -23.302 5.422 -5.340
364 HD3 ARG 49 HD3 ARG 49 -21.990 5.799 -6.470
365 HE ARG 49 HE ARG 49 -21.930 6.024 -3.521
366 HH11 ARG 49 HH11 ARG 49 -20.300 6.521 -6.617
367 HH12 ARG 49 HH12 ARG 49 -18.717 6.684 -5.894
368 HH21 ARG 49 HH21 ARG 49 -19.857 6.235 -2.600
369 HH22 ARG 49 HH22 ARG 49 -18.465 6.510 -3.618
Start of MODEL 6
1 H1 MET 1 H1 MET 1 3.678 -1.686 -0.195
2 H2 MET 1 H2 MET 1 2.499 -0.725 -0.830
3 H3 MET 1 H3 MET 1 3.874 -0.050 -0.228
4 HA MET 1 HA MET 1 3.749 -1.830 -2.549
5 HB2 MET 1 HB2 MET 1 2.697 0.298 -3.061
6 HB3 MET 1 HB3 MET 1 4.075 1.189 -2.385
7 HG2 MET 1 HG2 MET 1 5.536 0.436 -4.129
8 HG3 MET 1 HG3 MET 1 4.370 -0.784 -4.666
9 HE1 MET 1 HE1 MET 1 3.800 3.023 -3.735
10 HE2 MET 1 HE2 MET 1 5.371 2.969 -4.570
11 HE3 MET 1 HE3 MET 1 3.978 3.774 -5.339
12 H ILE 2 H ILE 2 5.787 -2.026 -3.722
13 HA ILE 2 HA ILE 2 8.155 -1.242 -2.120
14 HB ILE 2 HB ILE 2 7.303 -3.710 -1.881
15 HG12 ILE 2 HG12 ILE 2 10.214 -3.274 -2.624
16 HG13 ILE 2 HG13 ILE 2 9.490 -2.638 -1.131
17 HG21 ILE 2 HG21 ILE 2 8.891 -3.941 -4.472
18 HG22 ILE 2 HG22 ILE 2 8.167 -5.267 -3.537
19 HG23 ILE 2 HG23 ILE 2 7.120 -4.094 -4.364
20 HD11 ILE 2 HD11 ILE 2 10.554 -4.794 -0.672
21 HD12 ILE 2 HD12 ILE 2 8.796 -4.913 -0.461
22 HD13 ILE 2 HD13 ILE 2 9.568 -5.576 -1.925
23 H LEU 3 H LEU 3 10.030 -0.830 -3.336
24 HA LEU 3 HA LEU 3 9.656 -0.645 -6.288
25 HB2 LEU 3 HB2 LEU 3 10.689 1.500 -4.409
26 HB3 LEU 3 HB3 LEU 3 10.680 1.615 -6.178
27 HG LEU 3 HG LEU 3 8.149 1.203 -4.523
28 HD11 LEU 3 HD11 LEU 3 9.344 3.771 -5.624
29 HD12 LEU 3 HD12 LEU 3 7.769 3.614 -4.810
30 HD13 LEU 3 HD13 LEU 3 9.272 3.314 -3.903
31 HD21 LEU 3 HD21 LEU 3 7.981 0.581 -6.917
32 HD22 LEU 3 HD22 LEU 3 7.061 2.068 -6.573
33 HD23 LEU 3 HD23 LEU 3 8.644 2.174 -7.372
34 H THR 4 H THR 4 11.575 -0.798 -7.510
35 HA THR 4 HA THR 4 13.869 -1.861 -6.004
36 HB THR 4 HB THR 4 13.700 -1.868 -8.998
37 HG1 THR 4 HG1 THR 4 12.597 -3.820 -8.816
38 HG21 THR 4 HG21 THR 4 15.005 -3.944 -8.693
39 HG22 THR 4 HG22 THR 4 15.805 -2.567 -7.910
40 HG23 THR 4 HG23 THR 4 14.907 -3.747 -6.927
41 H CYS 5 H CYS 5 15.854 -0.940 -5.860
42 HA CYS 5 HA CYS 5 16.067 1.845 -6.644
43 HB2 CYS 5 HB2 CYS 5 16.985 1.037 -4.526
44 HB3 CYS 5 HB3 CYS 5 18.080 -0.056 -5.400
45 HA PRO 6 HA PRO 6 17.928 1.017 -10.633
46 HB2 PRO 6 HB2 PRO 6 18.999 3.794 -10.342
47 HB3 PRO 6 HB3 PRO 6 18.009 3.097 -11.658
48 HG2 PRO 6 HG2 PRO 6 16.944 4.830 -9.818
49 HG3 PRO 6 HG3 PRO 6 16.006 3.445 -10.473
50 HD2 PRO 6 HD2 PRO 6 17.430 3.663 -7.823
51 HD3 PRO 6 HD3 PRO 6 15.843 2.944 -8.211
52 H GLU 7 H GLU 7 19.547 1.965 -7.696
53 HA GLU 7 HA GLU 7 22.223 1.504 -8.943
54 HB2 GLU 7 HB2 GLU 7 21.480 3.033 -6.423
55 HB3 GLU 7 HB3 GLU 7 23.112 2.857 -7.086
56 HG2 GLU 7 HG2 GLU 7 20.771 4.180 -8.524
57 HG3 GLU 7 HG3 GLU 7 22.030 5.044 -7.646
58 H CYS 8 H CYS 8 20.238 0.787 -6.006
59 HA CYS 8 HA CYS 8 22.290 -1.048 -5.020
60 HB2 CYS 8 HB2 CYS 8 19.427 -0.565 -4.082
61 HB3 CYS 8 HB3 CYS 8 20.652 -1.527 -3.237
62 H ALA 9 H ALA 9 19.682 -1.193 -7.264
63 HA ALA 9 HA ALA 9 18.595 -2.887 -8.325
64 HB1 ALA 9 HB1 ALA 9 21.165 -4.402 -7.724
65 HB2 ALA 9 HB2 ALA 9 19.966 -4.821 -8.963
66 HB3 ALA 9 HB3 ALA 9 20.893 -3.304 -9.099
67 H SER 10 H SER 10 17.919 -2.542 -5.623
68 HA SER 10 HA SER 10 17.128 -5.295 -4.855
69 HB2 SER 10 HB2 SER 10 19.242 -4.661 -3.667
70 HB3 SER 10 HB3 SER 10 18.381 -3.272 -2.964
71 HG SER 10 HG SER 10 18.360 -5.120 -1.598
72 H ARG 11 H ARG 11 15.434 -5.226 -3.110
73 HA ARG 11 HA ARG 11 13.416 -3.285 -3.977
74 HB2 ARG 11 HB2 ARG 11 13.238 -5.655 -2.068
75 HB3 ARG 11 HB3 ARG 11 11.869 -4.734 -2.712
76 HG2 ARG 11 HG2 ARG 11 13.840 -6.361 -4.375
77 HG3 ARG 11 HG3 ARG 11 12.196 -6.859 -3.939
78 HD2 ARG 11 HD2 ARG 11 11.303 -4.856 -5.136
79 HD3 ARG 11 HD3 ARG 11 12.952 -4.431 -5.620
80 HE ARG 11 HE ARG 11 12.980 -6.178 -7.161
81 HH11 ARG 11 HH11 ARG 11 10.051 -6.309 -5.184
82 HH12 ARG 11 HH12 ARG 11 9.261 -7.479 -6.215
83 HH21 ARG 11 HH21 ARG 11 11.927 -7.713 -8.487
84 HH22 ARG 11 HH22 ARG 11 10.315 -8.261 -8.085
85 H TYR 12 H TYR 12 12.212 -1.953 -2.640
86 HA TYR 12 HA TYR 12 12.858 -1.750 0.197
87 HB2 TYR 12 HB2 TYR 12 14.565 -0.320 -0.511
88 HB3 TYR 12 HB3 TYR 12 13.562 0.422 -1.759
89 HD1 TYR 12 HD1 TYR 12 14.211 0.270 1.880
90 HD2 TYR 12 HD2 TYR 12 12.053 2.225 -1.287
91 HE1 TYR 12 HE1 TYR 12 13.583 2.093 3.442
92 HE2 TYR 12 HE2 TYR 12 11.443 4.066 0.261
93 HH TYR 12 HH TYR 12 12.449 4.066 3.705
94 H PHE 13 H PHE 13 11.181 -1.027 1.454
95 HA PHE 13 HA PHE 13 8.713 -0.726 -0.136
96 HB2 PHE 13 HB2 PHE 13 7.594 -1.643 1.982
97 HB3 PHE 13 HB3 PHE 13 8.487 -2.722 0.916
98 HD1 PHE 13 HD2 PHE 13 8.632 -0.933 4.167
99 HD2 PHE 13 HD1 PHE 13 10.475 -3.860 1.611
100 HE1 PHE 13 HE2 PHE 13 10.040 -1.706 6.062
101 HE2 PHE 13 HE1 PHE 13 11.880 -4.629 3.509
102 HZ PHE 13 HZ PHE 13 11.656 -3.560 5.733
103 H VAL 14 H VAL 14 6.981 0.520 0.405
104 HA VAL 14 HA VAL 14 7.272 2.525 2.545
105 HB VAL 14 HB VAL 14 6.708 4.365 1.030
106 HG11 VAL 14 HG11 VAL 14 8.820 4.589 -0.157
107 HG12 VAL 14 HG12 VAL 14 9.113 3.840 1.428
108 HG13 VAL 14 HG13 VAL 14 9.114 2.842 -0.045
109 HG21 VAL 14 HG21 VAL 14 5.464 3.114 -0.683
110 HG22 VAL 14 HG22 VAL 14 6.769 4.063 -1.418
111 HG23 VAL 14 HG23 VAL 14 6.969 2.311 -1.205
112 H ASP 15 H ASP 15 5.204 3.574 3.058
113 HA ASP 15 HA ASP 15 3.005 1.753 2.863
114 HB2 ASP 15 HB2 ASP 15 3.160 4.639 3.781
115 HB3 ASP 15 HB3 ASP 15 1.715 3.627 3.901
116 H ASP 16 H ASP 16 0.935 2.065 1.874
117 HA ASP 16 HA ASP 16 1.196 2.837 -0.869
118 HB2 ASP 16 HB2 ASP 16 -1.210 2.087 0.826
119 HB3 ASP 16 HB3 ASP 16 -1.279 2.353 -0.921
120 H SER 17 H SER 17 0.566 4.743 1.893
121 HA SER 17 HA SER 17 -1.096 6.722 0.519
122 HB2 SER 17 HB2 SER 17 -1.361 6.254 2.928
123 HB3 SER 17 HB3 SER 17 0.324 6.752 3.211
124 HG SER 17 HG SER 17 -1.801 8.354 2.220
125 H LYS 18 H LYS 18 2.264 5.970 0.672
126 HA LYS 18 HA LYS 18 3.243 8.700 0.556
127 HB2 LYS 18 HB2 LYS 18 4.624 6.056 -0.065
128 HB3 LYS 18 HB3 LYS 18 5.427 7.614 0.157
129 HG2 LYS 18 HG2 LYS 18 3.775 6.155 2.269
130 HG3 LYS 18 HG3 LYS 18 5.545 6.208 2.190
131 HD2 LYS 18 HD2 LYS 18 5.460 8.693 2.414
132 HD3 LYS 18 HD3 LYS 18 3.690 8.594 2.597
133 HE2 LYS 18 HE2 LYS 18 3.983 7.124 4.577
134 HE3 LYS 18 HE3 LYS 18 5.742 7.233 4.391
135 HZ1 LYS 18 HZ1 LYS 18 3.945 9.501 4.908
136 HZ2 LYS 18 HZ2 LYS 18 4.936 8.782 6.013
137 HZ3 LYS 18 HZ3 LYS 18 5.584 9.592 4.740
138 H VAL 19 H VAL 19 1.757 6.653 -1.739
139 HA VAL 19 HA VAL 19 2.724 8.384 -3.930
140 HB VAL 19 HB VAL 19 2.741 5.363 -4.168
141 HG11 VAL 19 HG11 VAL 19 3.992 5.857 -6.253
142 HG12 VAL 19 HG12 VAL 19 2.361 6.561 -6.282
143 HG13 VAL 19 HG13 VAL 19 3.771 7.597 -5.958
144 HG21 VAL 19 HG21 VAL 19 5.074 7.281 -3.764
145 HG22 VAL 19 HG22 VAL 19 4.551 5.987 -2.653
146 HG23 VAL 19 HG23 VAL 19 5.222 5.576 -4.241
147 H GLY 20 H GLY 20 1.266 8.687 -5.598
148 HA2 GLY 20 HA2 GLY 20 -1.372 7.306 -5.342
149 HA3 GLY 20 HA3 GLY 20 -1.236 9.050 -5.593
150 HA PRO 21 HA PRO 21 -1.424 6.828 -9.708
151 HB2 PRO 21 HB2 PRO 21 -3.694 8.051 -10.663
152 HB3 PRO 21 HB3 PRO 21 -3.723 6.570 -9.651
153 HG2 PRO 21 HG2 PRO 21 -4.167 9.441 -8.825
154 HG3 PRO 21 HG3 PRO 21 -5.080 7.982 -8.321
155 HD2 PRO 21 HD2 PRO 21 -3.097 9.135 -6.794
156 HD3 PRO 21 HD3 PRO 21 -3.433 7.381 -6.756
157 H ASP 22 H ASP 22 -1.534 10.137 -8.537
158 HA ASP 22 HA ASP 22 -0.887 11.366 -11.102
159 HB2 ASP 22 HB2 ASP 22 -2.108 12.451 -9.144
160 HB3 ASP 22 HB3 ASP 22 -0.573 12.448 -8.264
161 H GLY 23 H GLY 23 0.758 9.380 -8.921
162 HA2 GLY 23 HA2 GLY 23 2.965 8.708 -8.940
163 HA3 GLY 23 HA3 GLY 23 3.371 10.029 -10.049
164 H ARG 24 H ARG 24 4.922 9.266 -7.791
165 HA ARG 24 HA ARG 24 5.138 11.831 -6.421
166 HB2 ARG 24 HB2 ARG 24 3.376 10.197 -5.244
167 HB3 ARG 24 HB3 ARG 24 4.838 9.430 -4.612
168 HG2 ARG 24 HG2 ARG 24 4.210 12.410 -4.348
169 HG3 ARG 24 HG3 ARG 24 3.778 11.195 -3.132
170 HD2 ARG 24 HD2 ARG 24 6.218 10.561 -3.012
171 HD3 ARG 24 HD3 ARG 24 6.568 11.982 -4.025
172 HE ARG 24 HE ARG 24 5.060 13.032 -1.994
173 HH11 ARG 24 HH11 ARG 24 7.984 11.049 -2.107
174 HH12 ARG 24 HH12 ARG 24 8.601 11.661 -0.590
175 HH21 ARG 24 HH21 ARG 24 5.881 13.814 -0.019
176 HH22 ARG 24 HH22 ARG 24 7.418 13.240 0.584
177 H VAL 25 H VAL 25 7.293 12.159 -5.887
178 HA VAL 25 HA VAL 25 9.202 10.199 -6.783
179 HB VAL 25 HB VAL 25 9.428 12.708 -6.931
180 HG11 VAL 25 HG11 VAL 25 10.341 13.880 -4.981
181 HG12 VAL 25 HG12 VAL 25 8.741 13.200 -4.591
182 HG13 VAL 25 HG13 VAL 25 10.220 12.406 -4.000
183 HG21 VAL 25 HG21 VAL 25 11.322 11.156 -7.308
184 HG22 VAL 25 HG22 VAL 25 11.850 12.674 -6.551
185 HG23 VAL 25 HG23 VAL 25 11.703 11.205 -5.568
186 H VAL 26 H VAL 26 10.799 9.082 -5.608
187 HA VAL 26 HA VAL 26 10.313 8.832 -2.683
188 HB VAL 26 HB VAL 26 10.418 6.479 -2.738
189 HG11 VAL 26 HG11 VAL 26 8.758 7.297 -5.167
190 HG12 VAL 26 HG12 VAL 26 8.555 5.828 -4.188
191 HG13 VAL 26 HG13 VAL 26 8.230 7.422 -3.472
192 HG21 VAL 26 HG21 VAL 26 12.241 6.231 -4.377
193 HG22 VAL 26 HG22 VAL 26 10.871 5.182 -4.796
194 HG23 VAL 26 HG23 VAL 26 11.138 6.693 -5.690
195 H ARG 27 H ARG 27 12.184 7.569 -1.611
196 HA ARG 27 HA ARG 27 14.769 8.285 -2.881
197 HB2 ARG 27 HB2 ARG 27 14.198 10.157 -1.421
198 HB3 ARG 27 HB3 ARG 27 13.881 9.040 -0.072
199 HG2 ARG 27 HG2 ARG 27 16.237 8.322 -0.084
200 HG3 ARG 27 HG3 ARG 27 16.557 9.365 -1.485
201 HD2 ARG 27 HD2 ARG 27 17.301 10.483 0.551
202 HD3 ARG 27 HD3 ARG 27 15.919 11.350 -0.136
203 HE ARG 27 HE ARG 27 14.642 10.805 1.722
204 HH11 ARG 27 HH11 ARG 27 17.587 8.842 1.709
205 HH12 ARG 27 HH12 ARG 27 17.332 8.239 3.328
206 HH21 ARG 27 HH21 ARG 27 14.329 9.990 3.831
207 HH22 ARG 27 HH22 ARG 27 15.492 8.882 4.523
208 H CYS 28 H CYS 28 16.447 6.940 -2.438
209 HA CYS 28 HA CYS 28 15.792 4.313 -1.394
210 HB2 CYS 28 HB2 CYS 28 17.240 4.764 -3.388
211 HB3 CYS 28 HB3 CYS 28 18.451 5.478 -2.314
212 H ALA 29 H ALA 29 16.298 3.459 0.556
213 HA ALA 29 HA ALA 29 17.429 5.198 2.614
214 HB1 ALA 29 HB1 ALA 29 15.548 3.670 3.096
215 HB2 ALA 29 HB2 ALA 29 16.572 2.276 2.655
216 HB3 ALA 29 HB3 ALA 29 16.974 3.262 4.081
217 H SER 30 H SER 30 18.763 3.229 0.183
218 HA SER 30 HA SER 30 21.011 2.388 1.942
219 HB2 SER 30 HB2 SER 30 19.875 1.222 -0.618
220 HB3 SER 30 HB3 SER 30 21.419 0.706 0.102
221 HG SER 30 HG SER 30 19.628 -0.564 0.807
222 H CYS 31 H CYS 31 20.244 4.486 -0.763
223 HA CYS 31 HA CYS 31 23.092 5.210 -0.787
224 HB2 CYS 31 HB2 CYS 31 23.410 4.989 -3.151
225 HB3 CYS 31 HB3 CYS 31 22.821 3.430 -2.522
226 H GLY 32 H GLY 32 19.857 6.170 -0.804
227 HA2 GLY 32 HA2 GLY 32 19.091 8.329 -0.542
228 HA3 GLY 32 HA3 GLY 32 20.717 8.942 -0.898
229 H ASN 33 H ASN 33 19.890 6.802 -3.361
230 HA ASN 33 HA ASN 33 19.587 8.812 -5.346
231 HB2 ASN 33 HB2 ASN 33 20.388 6.443 -5.655
232 HB3 ASN 33 HB3 ASN 33 18.714 5.898 -5.444
233 HD21 ASN 33 HD22 ASN 33 18.614 5.019 -7.554
234 HD22 ASN 33 HD21 ASN 33 18.512 6.041 -8.971
235 H ARG 34 H ARG 34 17.706 9.349 -6.634
236 HA ARG 34 HA ARG 34 15.097 8.789 -5.315
237 HB2 ARG 34 HB2 ARG 34 16.072 11.502 -6.299
238 HB3 ARG 34 HB3 ARG 34 14.449 11.145 -5.668
239 HG2 ARG 34 HG2 ARG 34 15.428 10.530 -3.482
240 HG3 ARG 34 HG3 ARG 34 17.056 10.895 -4.106
241 HD2 ARG 34 HD2 ARG 34 16.338 13.227 -4.581
242 HD3 ARG 34 HD3 ARG 34 14.741 12.864 -3.912
243 HE ARG 34 HE ARG 34 15.600 12.962 -1.762
244 HH11 ARG 34 HH11 ARG 34 18.257 12.900 -4.100
245 HH12 ARG 34 HH12 ARG 34 19.469 13.328 -2.915
246 HH21 ARG 34 HH21 ARG 34 17.203 13.506 -0.232
247 HH22 ARG 34 HH22 ARG 34 18.877 13.639 -0.719
248 H TRP 35 H TRP 35 13.313 8.695 -6.664
249 HA TRP 35 HA TRP 35 13.471 9.439 -9.468
250 HB2 TRP 35 HB2 TRP 35 13.125 7.217 -10.377
251 HB3 TRP 35 HB3 TRP 35 14.650 7.257 -9.496
252 HD1 TRP 35 HD1 TRP 35 11.213 5.676 -9.467
253 HE1 TRP 35 HE1 TRP 35 11.081 3.806 -7.752
254 HE3 TRP 35 HE3 TRP 35 15.705 6.428 -7.129
255 HZ2 TRP 35 HZ2 TRP 35 12.726 2.744 -5.614
256 HZ3 TRP 35 HZ3 TRP 35 16.377 4.980 -5.246
257 HH2 TRP 35 HH2 TRP 35 14.900 3.138 -4.477
258 H THR 36 H THR 36 11.342 9.147 -10.526
259 HA THR 36 HA THR 36 9.218 9.552 -8.626
260 HB THR 36 HB THR 36 8.695 9.216 -11.547
261 HG1 THR 36 HG1 THR 36 9.396 11.345 -11.818
262 HG21 THR 36 HG21 THR 36 7.686 11.110 -9.379
263 HG22 THR 36 HG22 THR 36 7.121 11.076 -11.067
264 HG23 THR 36 HG23 THR 36 6.822 9.684 -10.007
265 H ALA 37 H ALA 37 7.522 8.302 -8.028
266 HA ALA 37 HA ALA 37 7.395 5.552 -9.181
267 HB1 ALA 37 HB1 ALA 37 6.716 4.780 -6.951
268 HB2 ALA 37 HB2 ALA 37 8.317 5.548 -6.889
269 HB3 ALA 37 HB3 ALA 37 6.880 6.433 -6.311
270 H PHE 38 H PHE 38 5.184 4.558 -8.904
271 HA PHE 38 HA PHE 38 2.999 6.453 -8.577
272 HB2 PHE 38 HB2 PHE 38 2.003 5.685 -10.823
273 HB3 PHE 38 HB3 PHE 38 3.225 6.962 -10.776
274 HD1 PHE 38 HD1 PHE 38 2.620 3.416 -11.659
275 HD2 PHE 38 HD2 PHE 38 5.414 6.684 -11.727
276 HE1 PHE 38 HE1 PHE 38 4.052 2.157 -13.240
277 HE2 PHE 38 HE2 PHE 38 6.848 5.424 -13.312
278 HZ PHE 38 HZ PHE 38 6.170 3.157 -14.068
279 H LYS 39 H LYS 39 0.933 5.586 -8.261
280 HA LYS 39 HA LYS 39 1.022 3.048 -6.916
281 HB2 LYS 39 HB2 LYS 39 -0.425 4.921 -6.195
282 HB3 LYS 39 HB3 LYS 39 -1.324 4.824 -7.721
283 HG2 LYS 39 HG2 LYS 39 -2.579 3.699 -5.962
284 HG3 LYS 39 HG3 LYS 39 -2.050 2.528 -7.169
285 HD2 LYS 39 HD2 LYS 39 -1.753 1.686 -4.860
286 HD3 LYS 39 HD3 LYS 39 -0.210 1.789 -5.717
287 HE2 LYS 39 HE2 LYS 39 0.016 2.621 -3.427
288 HE3 LYS 39 HE3 LYS 39 0.296 3.928 -4.587
289 HZ1 LYS 39 HZ1 LYS 39 -1.954 4.670 -4.199
290 HZ2 LYS 39 HZ2 LYS 39 -2.218 3.456 -3.121
291 HZ3 LYS 39 HZ3 LYS 39 -1.114 4.627 -2.794
292 H ASP 40 H ASP 40 0.158 1.069 -7.492
293 HA ASP 40 HA ASP 40 -1.295 0.710 -9.995
294 HB2 ASP 40 HB2 ASP 40 1.090 0.935 -10.722
295 HB3 ASP 40 HB3 ASP 40 1.517 -0.422 -9.670
296 H GLU 41 H GLU 41 0.166 -0.449 -7.006
297 HA GLU 41 HA GLU 41 -0.631 -3.189 -7.188
298 HB2 GLU 41 HB2 GLU 41 -0.004 -1.336 -4.861
299 HB3 GLU 41 HB3 GLU 41 -0.366 -3.061 -4.661
300 HG2 GLU 41 HG2 GLU 41 1.496 -3.589 -6.273
301 HG3 GLU 41 HG3 GLU 41 1.909 -1.863 -6.296
302 H ALA 42 H ALA 42 -2.492 -0.305 -6.674
303 HA ALA 42 HA ALA 42 -4.851 -1.927 -6.043
304 HB1 ALA 42 HB1 ALA 42 -5.370 -0.646 -4.003
305 HB2 ALA 42 HB2 ALA 42 -3.789 -1.445 -3.842
306 HB3 ALA 42 HB3 ALA 42 -3.875 0.295 -4.194
307 H GLU 43 H GLU 43 -3.769 -0.133 -8.214
308 HA GLU 43 HA GLU 43 -5.474 2.227 -8.158
309 HB2 GLU 43 HB2 GLU 43 -3.306 2.293 -9.270
310 HB3 GLU 43 HB3 GLU 43 -3.743 0.917 -10.292
311 HG2 GLU 43 HG2 GLU 43 -3.899 2.980 -11.572
312 HG3 GLU 43 HG3 GLU 43 -5.493 2.253 -11.403
313 H LEU 44 H LEU 44 -5.837 -1.100 -9.077
314 HA LEU 44 HA LEU 44 -7.857 -0.742 -11.080
315 HB2 LEU 44 HB2 LEU 44 -8.069 -3.064 -11.047
316 HB3 LEU 44 HB3 LEU 44 -6.369 -2.786 -10.660
317 HG LEU 44 HG LEU 44 -8.572 -3.368 -8.613
318 HD11 LEU 44 HD11 LEU 44 -8.109 -5.284 -10.107
319 HD12 LEU 44 HD12 LEU 44 -6.376 -5.156 -9.740
320 HD13 LEU 44 HD13 LEU 44 -7.524 -5.597 -8.456
321 HD21 LEU 44 HD21 LEU 44 -6.741 -2.116 -7.586
322 HD22 LEU 44 HD22 LEU 44 -6.636 -3.817 -7.096
323 HD23 LEU 44 HD23 LEU 44 -5.539 -3.191 -8.349
324 H GLU 45 H GLU 45 -10.134 -1.399 -10.877
325 HA GLU 45 HA GLU 45 -11.411 -0.022 -8.703
326 HB2 GLU 45 HB2 GLU 45 -12.324 -0.133 -10.982
327 HB3 GLU 45 HB3 GLU 45 -12.536 -1.891 -10.821
328 HG2 GLU 45 HG2 GLU 45 -14.120 -1.568 -8.979
329 HG3 GLU 45 HG3 GLU 45 -13.850 0.185 -9.021
330 H LEU 46 H LEU 46 -12.610 -0.822 -6.960
331 HA LEU 46 HA LEU 46 -11.579 -3.239 -5.793
332 HB2 LEU 46 HB2 LEU 46 -13.954 -1.537 -4.958
333 HB3 LEU 46 HB3 LEU 46 -13.094 -2.712 -3.950
334 HG LEU 46 HG LEU 46 -11.865 -0.178 -5.131
335 HD11 LEU 46 HD11 LEU 46 -11.866 0.611 -2.794
336 HD12 LEU 46 HD12 LEU 46 -13.522 0.262 -3.342
337 HD13 LEU 46 HD13 LEU 46 -12.682 -0.885 -2.283
338 HD21 LEU 46 HD21 LEU 46 -10.192 -1.964 -4.846
339 HD22 LEU 46 HD22 LEU 46 -9.978 -0.718 -3.600
340 HD23 LEU 46 HD23 LEU 46 -10.761 -2.260 -3.189
341 H VAL 47 H VAL 47 -12.811 -5.087 -5.072
342 HA VAL 47 HA VAL 47 -14.451 -6.178 -7.151
343 HB VAL 47 HB VAL 47 -14.586 -8.146 -5.744
344 HG11 VAL 47 HG11 VAL 47 -12.209 -8.576 -5.391
345 HG12 VAL 47 HG12 VAL 47 -12.430 -7.654 -6.895
346 HG13 VAL 47 HG13 VAL 47 -11.852 -6.838 -5.425
347 HG21 VAL 47 HG21 VAL 47 -15.079 -7.061 -3.586
348 HG22 VAL 47 HG22 VAL 47 -13.689 -8.159 -3.445
349 HG23 VAL 47 HG23 VAL 47 -13.425 -6.403 -3.533
350 HA PRO 48 HA PRO 48 -18.436 -4.855 -5.846
351 HB2 PRO 48 HB2 PRO 48 -20.045 -6.809 -6.891
352 HB3 PRO 48 HB3 PRO 48 -19.159 -5.629 -7.909
353 HG2 PRO 48 HG2 PRO 48 -18.382 -8.481 -7.219
354 HG3 PRO 48 HG3 PRO 48 -18.332 -7.662 -8.813
355 HD2 PRO 48 HD2 PRO 48 -16.129 -7.932 -7.188
356 HD3 PRO 48 HD3 PRO 48 -16.359 -6.526 -8.275
357 H ARG 49 H ARG 49 -16.958 -7.677 -4.600
358 HA ARG 49 HA ARG 49 -19.116 -8.808 -3.100
359 HB2 ARG 49 HB2 ARG 49 -16.112 -8.906 -2.606
360 HB3 ARG 49 HB3 ARG 49 -17.329 -9.967 -1.870
361 HG2 ARG 49 HG2 ARG 49 -17.975 -10.768 -4.139
362 HG3 ARG 49 HG3 ARG 49 -16.713 -9.734 -4.852
363 HD2 ARG 49 HD2 ARG 49 -14.996 -10.933 -3.520
364 HD3 ARG 49 HD3 ARG 49 -16.255 -11.975 -2.842
365 HE ARG 49 HE ARG 49 -16.612 -12.960 -5.012
366 HH11 ARG 49 HH11 ARG 49 -13.787 -10.837 -4.808
367 HH12 ARG 49 HH12 ARG 49 -13.041 -11.502 -6.246
368 HH21 ARG 49 HH21 ARG 49 -15.612 -13.808 -6.866
369 HH22 ARG 49 HH22 ARG 49 -14.059 -13.199 -7.393
Start of MODEL 7
1 H1 MET 1 H1 MET 1 3.476 -1.953 0.047
2 H2 MET 1 H2 MET 1 2.244 -1.048 -0.558
3 H3 MET 1 H3 MET 1 3.616 -0.317 -0.013
4 HA MET 1 HA MET 1 3.485 -2.141 -2.307
5 HB2 MET 1 HB2 MET 1 3.825 -0.157 -3.708
6 HB3 MET 1 HB3 MET 1 2.323 -0.028 -2.771
7 HG2 MET 1 HG2 MET 1 3.595 1.332 -1.070
8 HG3 MET 1 HG3 MET 1 4.987 1.313 -2.168
9 HE1 MET 1 HE1 MET 1 3.765 3.400 -5.210
10 HE2 MET 1 HE2 MET 1 5.103 2.511 -4.457
11 HE3 MET 1 HE3 MET 1 3.672 1.632 -5.051
12 H ILE 2 H ILE 2 5.530 -1.862 -3.695
13 HA ILE 2 HA ILE 2 7.878 -1.259 -1.997
14 HB ILE 2 HB ILE 2 7.054 -3.760 -2.024
15 HG12 ILE 2 HG12 ILE 2 9.977 -3.212 -2.614
16 HG13 ILE 2 HG13 ILE 2 9.197 -2.699 -1.103
17 HG21 ILE 2 HG21 ILE 2 8.746 -3.701 -4.558
18 HG22 ILE 2 HG22 ILE 2 8.015 -5.122 -3.787
19 HG23 ILE 2 HG23 ILE 2 6.974 -3.892 -4.534
20 HD11 ILE 2 HD11 ILE 2 8.536 -5.015 -0.609
21 HD12 ILE 2 HD12 ILE 2 9.321 -5.568 -2.106
22 HD13 ILE 2 HD13 ILE 2 10.299 -4.869 -0.796
23 H LEU 3 H LEU 3 9.775 -0.768 -3.165
24 HA LEU 3 HA LEU 3 9.454 -0.401 -6.104
25 HB2 LEU 3 HB2 LEU 3 10.475 1.622 -4.081
26 HB3 LEU 3 HB3 LEU 3 10.599 1.811 -5.835
27 HG LEU 3 HG LEU 3 7.947 1.443 -4.367
28 HD11 LEU 3 HD11 LEU 3 9.299 3.982 -5.349
29 HD12 LEU 3 HD12 LEU 3 7.664 3.870 -4.657
30 HD13 LEU 3 HD13 LEU 3 9.083 3.516 -3.644
31 HD21 LEU 3 HD21 LEU 3 7.029 2.377 -6.490
32 HD22 LEU 3 HD22 LEU 3 8.673 2.403 -7.170
33 HD23 LEU 3 HD23 LEU 3 7.905 0.852 -6.775
34 H THR 4 H THR 4 11.395 -0.539 -7.303
35 HA THR 4 HA THR 4 13.668 -1.679 -5.790
36 HB THR 4 HB THR 4 13.390 -1.823 -8.771
37 HG1 THR 4 HG1 THR 4 12.272 -3.750 -8.446
38 HG21 THR 4 HG21 THR 4 14.652 -3.637 -6.665
39 HG22 THR 4 HG22 THR 4 14.694 -3.892 -8.423
40 HG23 THR 4 HG23 THR 4 15.538 -2.503 -7.710
41 H CYS 5 H CYS 5 15.679 -0.825 -5.740
42 HA CYS 5 HA CYS 5 15.945 1.931 -6.586
43 HB2 CYS 5 HB2 CYS 5 16.905 1.116 -4.494
44 HB3 CYS 5 HB3 CYS 5 17.930 -0.025 -5.387
45 HA PRO 6 HA PRO 6 17.674 1.006 -10.623
46 HB2 PRO 6 HB2 PRO 6 18.816 3.755 -10.387
47 HB3 PRO 6 HB3 PRO 6 17.763 3.071 -11.665
48 HG2 PRO 6 HG2 PRO 6 16.809 4.849 -9.813
49 HG3 PRO 6 HG3 PRO 6 15.812 3.483 -10.422
50 HD2 PRO 6 HD2 PRO 6 17.335 3.682 -7.823
51 HD3 PRO 6 HD3 PRO 6 15.707 3.019 -8.147
52 H GLU 7 H GLU 7 19.400 1.923 -7.728
53 HA GLU 7 HA GLU 7 22.019 1.381 -9.058
54 HB2 GLU 7 HB2 GLU 7 21.396 2.983 -6.552
55 HB3 GLU 7 HB3 GLU 7 23.001 2.755 -7.252
56 HG2 GLU 7 HG2 GLU 7 20.651 4.093 -8.655
57 HG3 GLU 7 HG3 GLU 7 21.973 4.945 -7.852
58 H CYS 8 H CYS 8 20.089 0.750 -6.081
59 HA CYS 8 HA CYS 8 22.119 -1.119 -5.103
60 HB2 CYS 8 HB2 CYS 8 19.278 -0.567 -4.122
61 HB3 CYS 8 HB3 CYS 8 20.484 -1.571 -3.308
62 H ALA 9 H ALA 9 19.463 -1.208 -7.292
63 HA ALA 9 HA ALA 9 18.312 -2.856 -8.330
64 HB1 ALA 9 HB1 ALA 9 20.851 -4.447 -7.814
65 HB2 ALA 9 HB2 ALA 9 19.610 -4.807 -9.043
66 HB3 ALA 9 HB3 ALA 9 20.582 -3.321 -9.165
67 H SER 10 H SER 10 17.751 -2.526 -5.594
68 HA SER 10 HA SER 10 16.891 -5.262 -4.835
69 HB2 SER 10 HB2 SER 10 19.039 -4.687 -3.682
70 HB3 SER 10 HB3 SER 10 18.229 -3.279 -2.958
71 HG SER 10 HG SER 10 18.189 -5.159 -1.606
72 H ARG 11 H ARG 11 15.125 -5.246 -3.267
73 HA ARG 11 HA ARG 11 13.268 -3.087 -3.973
74 HB2 ARG 11 HB2 ARG 11 12.882 -5.699 -2.459
75 HB3 ARG 11 HB3 ARG 11 11.594 -4.568 -2.910
76 HG2 ARG 11 HG2 ARG 11 12.290 -4.819 -5.317
77 HG3 ARG 11 HG3 ARG 11 13.426 -6.088 -4.814
78 HD2 ARG 11 HD2 ARG 11 11.537 -7.374 -3.823
79 HD3 ARG 11 HD3 ARG 11 10.410 -6.118 -4.368
80 HE ARG 11 HE ARG 11 11.736 -8.174 -5.995
81 HH11 ARG 11 HH11 ARG 11 9.980 -5.100 -5.987
82 HH12 ARG 11 HH12 ARG 11 9.432 -5.272 -7.641
83 HH21 ARG 11 HH21 ARG 11 11.038 -8.355 -8.157
84 HH22 ARG 11 HH22 ARG 11 10.037 -7.111 -8.869
85 H TYR 12 H TYR 12 12.028 -1.901 -2.515
86 HA TYR 12 HA TYR 12 12.633 -2.021 0.330
87 HB2 TYR 12 HB2 TYR 12 14.377 -0.560 -0.227
88 HB3 TYR 12 HB3 TYR 12 13.391 0.331 -1.381
89 HD1 TYR 12 HD2 TYR 12 14.090 -0.198 2.207
90 HD2 TYR 12 HD1 TYR 12 11.866 2.072 -0.690
91 HE1 TYR 12 HE2 TYR 12 13.524 1.462 3.959
92 HE2 TYR 12 HE1 TYR 12 11.311 3.756 1.054
93 HH TYR 12 HH TYR 12 12.434 3.430 4.440
94 H PHE 13 H PHE 13 10.935 -1.404 1.624
95 HA PHE 13 HA PHE 13 8.486 -0.945 0.047
96 HB2 PHE 13 HB2 PHE 13 7.367 -1.960 2.117
97 HB3 PHE 13 HB3 PHE 13 8.244 -2.990 0.993
98 HD1 PHE 13 HD2 PHE 13 8.408 -1.388 4.334
99 HD2 PHE 13 HD1 PHE 13 10.234 -4.174 1.614
100 HE1 PHE 13 HE2 PHE 13 9.828 -2.261 6.175
101 HE2 PHE 13 HE1 PHE 13 11.645 -5.046 3.454
102 HZ PHE 13 HZ PHE 13 11.432 -4.094 5.742
103 H VAL 14 H VAL 14 6.780 0.297 0.611
104 HA VAL 14 HA VAL 14 7.071 2.193 2.847
105 HB VAL 14 HB VAL 14 6.616 4.118 1.431
106 HG11 VAL 14 HG11 VAL 14 8.752 4.323 0.276
107 HG12 VAL 14 HG12 VAL 14 8.990 3.490 1.830
108 HG13 VAL 14 HG13 VAL 14 8.981 2.558 0.310
109 HG21 VAL 14 HG21 VAL 14 5.355 3.016 -0.364
110 HG22 VAL 14 HG22 VAL 14 6.695 3.963 -1.035
111 HG23 VAL 14 HG23 VAL 14 6.839 2.193 -0.918
112 H ASP 15 H ASP 15 5.019 3.404 3.205
113 HA ASP 15 HA ASP 15 2.761 1.660 3.056
114 HB2 ASP 15 HB2 ASP 15 2.992 4.602 3.748
115 HB3 ASP 15 HB3 ASP 15 1.511 3.648 3.925
116 H ASP 16 H ASP 16 0.743 1.941 1.952
117 HA ASP 16 HA ASP 16 1.094 2.607 -0.814
118 HB2 ASP 16 HB2 ASP 16 -1.396 1.996 0.821
119 HB3 ASP 16 HB3 ASP 16 -1.367 2.151 -0.941
120 H SER 17 H SER 17 0.494 4.615 1.873
121 HA SER 17 HA SER 17 -1.078 6.602 0.392
122 HB2 SER 17 HB2 SER 17 -0.947 7.860 2.490
123 HB3 SER 17 HB3 SER 17 -1.461 6.183 2.793
124 HG SER 17 HG SER 17 0.186 6.878 4.234
125 H LYS 18 H LYS 18 2.229 5.722 0.634
126 HA LYS 18 HA LYS 18 3.366 8.376 0.572
127 HB2 LYS 18 HB2 LYS 18 4.571 6.433 1.487
128 HB3 LYS 18 HB3 LYS 18 4.472 5.607 -0.074
129 HG2 LYS 18 HG2 LYS 18 6.687 6.562 0.260
130 HG3 LYS 18 HG3 LYS 18 5.884 7.336 -1.112
131 HD2 LYS 18 HD2 LYS 18 5.220 9.236 0.431
132 HD3 LYS 18 HD3 LYS 18 6.141 8.445 1.722
133 HE2 LYS 18 HE2 LYS 18 7.517 10.172 0.681
134 HE3 LYS 18 HE3 LYS 18 8.185 8.579 0.294
135 HZ1 LYS 18 HZ1 LYS 18 6.447 10.188 -1.463
136 HZ2 LYS 18 HZ2 LYS 18 8.072 9.997 -1.648
137 HZ3 LYS 18 HZ3 LYS 18 7.066 8.709 -1.831
138 H VAL 19 H VAL 19 1.836 6.349 -1.774
139 HA VAL 19 HA VAL 19 2.799 8.119 -3.938
140 HB VAL 19 HB VAL 19 2.688 5.107 -4.232
141 HG11 VAL 19 HG11 VAL 19 3.965 5.596 -6.308
142 HG12 VAL 19 HG12 VAL 19 2.365 6.361 -6.319
143 HG13 VAL 19 HG13 VAL 19 3.818 7.339 -5.974
144 HG21 VAL 19 HG21 VAL 19 5.177 5.210 -4.287
145 HG22 VAL 19 HG22 VAL 19 5.098 6.917 -3.806
146 HG23 VAL 19 HG23 VAL 19 4.520 5.642 -2.696
147 H GLY 20 H GLY 20 1.355 8.425 -5.657
148 HA2 GLY 20 HA2 GLY 20 -1.344 7.184 -5.318
149 HA3 GLY 20 HA3 GLY 20 -1.136 8.907 -5.646
150 HA PRO 21 HA PRO 21 -1.446 6.480 -9.647
151 HB2 PRO 21 HB2 PRO 21 -3.690 7.732 -10.635
152 HB3 PRO 21 HB3 PRO 21 -3.753 6.293 -9.567
153 HG2 PRO 21 HG2 PRO 21 -4.119 9.204 -8.836
154 HG3 PRO 21 HG3 PRO 21 -5.055 7.778 -8.279
155 HD2 PRO 21 HD2 PRO 21 -3.026 8.941 -6.810
156 HD3 PRO 21 HD3 PRO 21 -3.403 7.198 -6.715
157 H ASP 22 H ASP 22 -1.581 9.877 -8.658
158 HA ASP 22 HA ASP 22 -0.746 10.898 -11.244
159 HB2 ASP 22 HB2 ASP 22 -0.969 12.119 -8.475
160 HB3 ASP 22 HB3 ASP 22 -0.446 13.014 -9.907
161 H GLY 23 H GLY 23 0.841 9.103 -8.927
162 HA2 GLY 23 HA2 GLY 23 3.067 8.522 -8.836
163 HA3 GLY 23 HA3 GLY 23 3.466 9.798 -9.994
164 H ARG 24 H ARG 24 5.037 9.237 -7.747
165 HA ARG 24 HA ARG 24 5.121 11.854 -6.485
166 HB2 ARG 24 HB2 ARG 24 3.461 10.563 -5.075
167 HB3 ARG 24 HB3 ARG 24 4.734 9.361 -4.779
168 HG2 ARG 24 HG2 ARG 24 4.584 10.908 -2.888
169 HG3 ARG 24 HG3 ARG 24 6.136 11.131 -3.716
170 HD2 ARG 24 HD2 ARG 24 5.238 13.099 -4.906
171 HD3 ARG 24 HD3 ARG 24 3.653 12.849 -4.161
172 HE ARG 24 HE ARG 24 6.092 13.917 -2.879
173 HH11 ARG 24 HH11 ARG 24 2.783 12.745 -2.487
174 HH12 ARG 24 HH12 ARG 24 2.567 13.508 -0.928
175 HH21 ARG 24 HH21 ARG 24 5.788 14.911 -0.853
176 HH22 ARG 24 HH22 ARG 24 4.265 14.739 -0.006
177 H VAL 25 H VAL 25 7.216 12.270 -5.658
178 HA VAL 25 HA VAL 25 9.255 10.490 -6.707
179 HB VAL 25 HB VAL 25 9.326 13.017 -6.730
180 HG11 VAL 25 HG11 VAL 25 10.194 12.613 -3.837
181 HG12 VAL 25 HG12 VAL 25 10.190 14.145 -4.736
182 HG13 VAL 25 HG13 VAL 25 8.652 13.346 -4.354
183 HG21 VAL 25 HG21 VAL 25 11.290 11.577 -7.211
184 HG22 VAL 25 HG22 VAL 25 11.751 13.092 -6.401
185 HG23 VAL 25 HG23 VAL 25 11.700 11.576 -5.478
186 H VAL 26 H VAL 26 10.916 9.421 -5.587
187 HA VAL 26 HA VAL 26 10.484 9.025 -2.683
188 HB VAL 26 HB VAL 26 10.562 6.670 -2.823
189 HG11 VAL 26 HG11 VAL 26 8.618 6.102 -4.190
190 HG12 VAL 26 HG12 VAL 26 8.359 7.665 -3.385
191 HG13 VAL 26 HG13 VAL 26 8.786 7.606 -5.117
192 HG21 VAL 26 HG21 VAL 26 11.123 6.986 -5.798
193 HG22 VAL 26 HG22 VAL 26 12.287 6.437 -4.569
194 HG23 VAL 26 HG23 VAL 26 10.873 5.444 -4.951
195 H ARG 27 H ARG 27 12.368 7.805 -1.678
196 HA ARG 27 HA ARG 27 14.919 8.392 -3.070
197 HB2 ARG 27 HB2 ARG 27 14.441 10.362 -1.714
198 HB3 ARG 27 HB3 ARG 27 14.158 9.345 -0.288
199 HG2 ARG 27 HG2 ARG 27 16.498 8.583 -0.326
200 HG3 ARG 27 HG3 ARG 27 16.790 9.507 -1.819
201 HD2 ARG 27 HD2 ARG 27 17.632 10.742 0.132
202 HD3 ARG 27 HD3 ARG 27 16.285 11.603 -0.631
203 HE ARG 27 HE ARG 27 15.008 11.299 1.288
204 HH11 ARG 27 HH11 ARG 27 17.824 9.159 1.406
205 HH12 ARG 27 HH12 ARG 27 17.536 8.686 3.064
206 HH21 ARG 27 HH21 ARG 27 14.658 10.667 3.441
207 HH22 ARG 27 HH22 ARG 27 15.754 9.551 4.220
208 H CYS 28 H CYS 28 16.605 7.063 -2.567
209 HA CYS 28 HA CYS 28 15.885 4.476 -1.473
210 HB2 CYS 28 HB2 CYS 28 17.359 4.877 -3.459
211 HB3 CYS 28 HB3 CYS 28 18.585 5.561 -2.373
212 H ALA 29 H ALA 29 16.364 3.651 0.505
213 HA ALA 29 HA ALA 29 17.565 5.388 2.529
214 HB1 ALA 29 HB1 ALA 29 16.626 2.495 2.646
215 HB2 ALA 29 HB2 ALA 29 17.041 3.520 4.037
216 HB3 ALA 29 HB3 ALA 29 15.630 3.922 3.034
217 H SER 30 H SER 30 18.814 3.300 0.131
218 HA SER 30 HA SER 30 21.046 2.424 1.892
219 HB2 SER 30 HB2 SER 30 19.842 1.238 -0.628
220 HB3 SER 30 HB3 SER 30 21.385 0.699 0.067
221 HG SER 30 HG SER 30 18.847 0.727 1.342
222 H CYS 31 H CYS 31 20.337 4.476 -0.868
223 HA CYS 31 HA CYS 31 23.217 5.092 -0.937
224 HB2 CYS 31 HB2 CYS 31 23.511 4.809 -3.280
225 HB3 CYS 31 HB3 CYS 31 22.846 3.290 -2.636
226 H GLY 32 H GLY 32 20.032 6.175 -0.903
227 HA2 GLY 32 HA2 GLY 32 19.352 8.362 -0.656
228 HA3 GLY 32 HA3 GLY 32 21.000 8.904 -1.031
229 H ASN 33 H ASN 33 20.004 6.780 -3.461
230 HA ASN 33 HA ASN 33 19.833 8.753 -5.484
231 HB2 ASN 33 HB2 ASN 33 20.373 6.303 -5.737
232 HB3 ASN 33 HB3 ASN 33 18.658 5.946 -5.474
233 HD21 ASN 33 HD22 ASN 33 18.552 4.982 -7.589
234 HD22 ASN 33 HD21 ASN 33 18.466 5.991 -9.021
235 H ARG 34 H ARG 34 17.972 9.418 -6.765
236 HA ARG 34 HA ARG 34 15.365 9.240 -5.349
237 HB2 ARG 34 HB2 ARG 34 16.436 11.279 -4.538
238 HB3 ARG 34 HB3 ARG 34 16.803 11.782 -6.199
239 HG2 ARG 34 HG2 ARG 34 14.392 11.949 -6.707
240 HG3 ARG 34 HG3 ARG 34 14.004 11.391 -5.066
241 HD2 ARG 34 HD2 ARG 34 13.826 13.822 -5.167
242 HD3 ARG 34 HD3 ARG 34 15.177 13.360 -4.128
243 HE ARG 34 HE ARG 34 15.447 14.323 -6.958
244 HH11 ARG 34 HH11 ARG 34 16.697 14.049 -3.656
245 HH12 ARG 34 HH12 ARG 34 18.109 15.026 -3.991
246 HH21 ARG 34 HH21 ARG 34 17.299 15.583 -7.358
247 HH22 ARG 34 HH22 ARG 34 18.443 15.900 -6.074
248 H TRP 35 H TRP 35 13.634 9.067 -6.675
249 HA TRP 35 HA TRP 35 13.711 9.961 -9.445
250 HB2 TRP 35 HB2 TRP 35 13.455 7.799 -10.461
251 HB3 TRP 35 HB3 TRP 35 14.958 7.803 -9.537
252 HD1 TRP 35 HD1 TRP 35 11.644 6.077 -9.853
253 HE1 TRP 35 HE1 TRP 35 11.457 4.118 -8.242
254 HE3 TRP 35 HE3 TRP 35 15.807 6.973 -7.009
255 HZ2 TRP 35 HZ2 TRP 35 12.895 3.082 -5.958
256 HZ3 TRP 35 HZ3 TRP 35 16.350 5.492 -5.112
257 HH2 TRP 35 HH2 TRP 35 14.915 3.540 -4.578
258 H THR 36 H THR 36 11.574 9.609 -10.487
259 HA THR 36 HA THR 36 9.435 9.848 -8.558
260 HB THR 36 HB THR 36 8.934 9.619 -11.497
261 HG1 THR 36 HG1 THR 36 9.528 11.796 -11.656
262 HG21 THR 36 HG21 THR 36 7.028 9.904 -9.976
263 HG22 THR 36 HG22 THR 36 7.811 11.320 -9.232
264 HG23 THR 36 HG23 THR 36 7.275 11.383 -10.927
265 H ALA 37 H ALA 37 7.749 8.521 -8.083
266 HA ALA 37 HA ALA 37 7.807 5.787 -9.276
267 HB1 ALA 37 HB1 ALA 37 7.162 6.574 -6.409
268 HB2 ALA 37 HB2 ALA 37 7.147 4.927 -7.080
269 HB3 ALA 37 HB3 ALA 37 8.680 5.821 -6.951
270 H PHE 38 H PHE 38 5.651 4.676 -9.084
271 HA PHE 38 HA PHE 38 3.361 6.438 -8.731
272 HB2 PHE 38 HB2 PHE 38 2.438 5.706 -11.014
273 HB3 PHE 38 HB3 PHE 38 3.588 7.038 -10.909
274 HD1 PHE 38 HD2 PHE 38 3.161 3.520 -11.943
275 HD2 PHE 38 HD1 PHE 38 5.825 6.892 -11.820
276 HE1 PHE 38 HE2 PHE 38 4.658 2.399 -13.579
277 HE2 PHE 38 HE1 PHE 38 7.328 5.766 -13.436
278 HZ PHE 38 HZ PHE 38 6.745 3.524 -14.321
279 H LYS 39 H LYS 39 1.350 5.453 -8.468
280 HA LYS 39 HA LYS 39 1.577 2.849 -7.247
281 HB2 LYS 39 HB2 LYS 39 0.134 4.559 -6.323
282 HB3 LYS 39 HB3 LYS 39 -0.814 4.642 -7.822
283 HG2 LYS 39 HG2 LYS 39 -1.710 2.458 -7.530
284 HG3 LYS 39 HG3 LYS 39 -0.535 2.054 -6.257
285 HD2 LYS 39 HD2 LYS 39 -2.629 4.248 -5.987
286 HD3 LYS 39 HD3 LYS 39 -2.841 2.579 -5.402
287 HE2 LYS 39 HE2 LYS 39 -0.802 2.808 -4.014
288 HE3 LYS 39 HE3 LYS 39 -0.595 4.471 -4.569
289 HZ1 LYS 39 HZ1 LYS 39 -1.690 4.405 -2.455
290 HZ2 LYS 39 HZ2 LYS 39 -2.719 5.011 -3.584
291 HZ3 LYS 39 HZ3 LYS 39 -2.904 3.466 -3.052
292 H ASP 40 H ASP 40 0.552 0.918 -7.824
293 HA ASP 40 HA ASP 40 -0.758 0.656 -10.428
294 HB2 ASP 40 HB2 ASP 40 1.692 0.706 -10.976
295 HB3 ASP 40 HB3 ASP 40 1.938 -0.676 -9.900
296 H GLU 41 H GLU 41 0.303 -0.508 -7.301
297 HA GLU 41 HA GLU 41 -0.634 -3.216 -7.519
298 HB2 GLU 41 HB2 GLU 41 -0.148 -1.376 -5.151
299 HB3 GLU 41 HB3 GLU 41 -0.537 -3.101 -5.014
300 HG2 GLU 41 HG2 GLU 41 1.473 -3.614 -6.433
301 HG3 GLU 41 HG3 GLU 41 1.878 -1.891 -6.440
302 H ALA 42 H ALA 42 -2.277 -0.178 -7.189
303 HA ALA 42 HA ALA 42 -4.841 -1.524 -6.874
304 HB1 ALA 42 HB1 ALA 42 -3.824 0.390 -4.728
305 HB2 ALA 42 HB2 ALA 42 -5.440 -0.361 -4.783
306 HB3 ALA 42 HB3 ALA 42 -3.996 -1.368 -4.535
307 H GLU 43 H GLU 43 -3.386 0.234 -8.793
308 HA GLU 43 HA GLU 43 -4.535 2.872 -8.636
309 HB2 GLU 43 HB2 GLU 43 -2.437 2.457 -9.760
310 HB3 GLU 43 HB3 GLU 43 -3.189 1.330 -10.895
311 HG2 GLU 43 HG2 GLU 43 -4.202 4.178 -10.684
312 HG3 GLU 43 HG3 GLU 43 -2.709 3.839 -11.564
313 H LEU 44 H LEU 44 -5.754 -0.213 -9.648
314 HA LEU 44 HA LEU 44 -8.309 1.025 -10.347
315 HB2 LEU 44 HB2 LEU 44 -7.174 1.031 -12.514
316 HB3 LEU 44 HB3 LEU 44 -6.717 -0.666 -12.315
317 HG LEU 44 HG LEU 44 -9.137 -1.304 -12.319
318 HD11 LEU 44 HD11 LEU 44 -9.537 1.648 -12.991
319 HD12 LEU 44 HD12 LEU 44 -10.787 0.391 -13.085
320 HD13 LEU 44 HD13 LEU 44 -10.100 0.833 -11.510
321 HD21 LEU 44 HD21 LEU 44 -7.788 -1.325 -14.386
322 HD22 LEU 44 HD22 LEU 44 -9.487 -0.908 -14.718
323 HD23 LEU 44 HD23 LEU 44 -8.249 0.365 -14.701
324 H GLU 45 H GLU 45 -10.057 -0.410 -10.074
325 HA GLU 45 HA GLU 45 -9.552 -3.221 -9.476
326 HB2 GLU 45 HB2 GLU 45 -9.029 -2.241 -7.307
327 HB3 GLU 45 HB3 GLU 45 -10.472 -1.226 -7.370
328 HG2 GLU 45 HG2 GLU 45 -10.858 -3.062 -5.852
329 HG3 GLU 45 HG3 GLU 45 -11.909 -3.244 -7.257
330 H LEU 46 H LEU 46 -11.465 -4.479 -9.523
331 HA LEU 46 HA LEU 46 -13.459 -3.483 -11.301
332 HB2 LEU 46 HB2 LEU 46 -12.795 -5.834 -11.215
333 HB3 LEU 46 HB3 LEU 46 -13.359 -5.957 -9.543
334 HG LEU 46 HG LEU 46 -15.691 -5.464 -10.312
335 HD11 LEU 46 HD11 LEU 46 -14.421 -5.669 -13.081
336 HD12 LEU 46 HD12 LEU 46 -16.168 -5.617 -12.751
337 HD13 LEU 46 HD13 LEU 46 -15.152 -4.207 -12.383
338 HD21 LEU 46 HD21 LEU 46 -14.886 -7.779 -10.046
339 HD22 LEU 46 HD22 LEU 46 -16.039 -7.657 -11.393
340 HD23 LEU 46 HD23 LEU 46 -14.296 -7.778 -11.726
341 H VAL 47 H VAL 47 -15.592 -2.850 -10.978
342 HA VAL 47 HA VAL 47 -16.160 -1.496 -8.543
343 HB VAL 47 HB VAL 47 -18.049 -2.286 -10.793
344 HG11 VAL 47 HG11 VAL 47 -18.188 -0.052 -8.725
345 HG12 VAL 47 HG12 VAL 47 -19.328 -0.309 -10.066
346 HG13 VAL 47 HG13 VAL 47 -19.217 -1.504 -8.757
347 HG21 VAL 47 HG21 VAL 47 -16.097 -1.071 -11.655
348 HG22 VAL 47 HG22 VAL 47 -17.531 -0.028 -11.682
349 HG23 VAL 47 HG23 VAL 47 -16.303 0.184 -10.410
350 HA PRO 48 HA PRO 48 -17.732 -4.788 -6.021
351 HB2 PRO 48 HB2 PRO 48 -19.564 -2.683 -4.932
352 HB3 PRO 48 HB3 PRO 48 -18.470 -3.798 -4.051
353 HG2 PRO 48 HG2 PRO 48 -17.830 -1.168 -4.392
354 HG3 PRO 48 HG3 PRO 48 -16.584 -2.454 -4.501
355 HD2 PRO 48 HD2 PRO 48 -17.977 -0.981 -6.735
356 HD3 PRO 48 HD3 PRO 48 -16.266 -1.495 -6.597
357 H ARG 49 H ARG 49 -19.654 -6.054 -5.697
358 HA ARG 49 HA ARG 49 -21.473 -6.043 -7.930
359 HB2 ARG 49 HB2 ARG 49 -22.498 -7.954 -6.790
360 HB3 ARG 49 HB3 ARG 49 -20.734 -8.108 -6.825
361 HG2 ARG 49 HG2 ARG 49 -20.613 -7.283 -4.488
362 HG3 ARG 49 HG3 ARG 49 -22.386 -7.131 -4.451
363 HD2 ARG 49 HD2 ARG 49 -22.600 -9.560 -4.910
364 HD3 ARG 49 HD3 ARG 49 -20.835 -9.704 -4.938
365 HE ARG 49 HE ARG 49 -20.757 -9.484 -2.608
366 HH11 ARG 49 HH11 ARG 49 -24.047 -9.003 -3.810
367 HH12 ARG 49 HH12 ARG 49 -24.769 -9.104 -2.220
368 HH21 ARG 49 HH21 ARG 49 -21.717 -9.623 -0.551
369 HH22 ARG 49 HH22 ARG 49 -23.448 -9.464 -0.377
Start of MODEL 8
1 H1 MET 1 H1 MET 1 3.493 -0.331 -0.217
2 H2 MET 1 H2 MET 1 3.260 -1.961 -0.232
3 H3 MET 1 H3 MET 1 2.105 -0.951 -0.842
4 HA MET 1 HA MET 1 3.338 -2.062 -2.579
5 HB2 MET 1 HB2 MET 1 3.792 -0.066 -3.910
6 HB3 MET 1 HB3 MET 1 2.302 0.149 -2.976
7 HG2 MET 1 HG2 MET 1 3.708 1.344 -1.219
8 HG3 MET 1 HG3 MET 1 5.043 1.306 -2.377
9 HE1 MET 1 HE1 MET 1 3.501 1.786 -5.166
10 HE2 MET 1 HE2 MET 1 3.694 3.548 -5.295
11 HE3 MET 1 HE3 MET 1 5.038 2.549 -4.692
12 H ILE 2 H ILE 2 5.453 -1.757 -3.904
13 HA ILE 2 HA ILE 2 7.778 -1.391 -2.102
14 HB ILE 2 HB ILE 2 6.852 -3.854 -2.363
15 HG12 ILE 2 HG12 ILE 2 9.818 -3.392 -2.826
16 HG13 ILE 2 HG13 ILE 2 9.009 -2.973 -1.301
17 HG21 ILE 2 HG21 ILE 2 8.614 -3.617 -4.837
18 HG22 ILE 2 HG22 ILE 2 7.821 -5.088 -4.231
19 HG23 ILE 2 HG23 ILE 2 6.839 -3.766 -4.880
20 HD11 ILE 2 HD11 ILE 2 8.215 -5.289 -1.049
21 HD12 ILE 2 HD12 ILE 2 9.053 -5.748 -2.558
22 HD13 ILE 2 HD13 ILE 2 9.987 -5.213 -1.144
23 H LEU 3 H LEU 3 9.711 -0.866 -3.164
24 HA LEU 3 HA LEU 3 9.483 -0.219 -6.062
25 HB2 LEU 3 HB2 LEU 3 10.513 1.584 -3.836
26 HB3 LEU 3 HB3 LEU 3 10.619 1.952 -5.570
27 HG LEU 3 HG LEU 3 7.983 1.461 -4.103
28 HD11 LEU 3 HD11 LEU 3 9.145 3.438 -3.196
29 HD12 LEU 3 HD12 LEU 3 9.348 4.075 -4.846
30 HD13 LEU 3 HD13 LEU 3 7.715 3.903 -4.146
31 HD21 LEU 3 HD21 LEU 3 7.039 2.593 -6.093
32 HD22 LEU 3 HD22 LEU 3 8.663 2.702 -6.807
33 HD23 LEU 3 HD23 LEU 3 7.908 1.111 -6.550
34 H THR 4 H THR 4 11.446 -0.243 -7.217
35 HA THR 4 HA THR 4 13.690 -1.514 -5.743
36 HB THR 4 HB THR 4 13.334 -1.723 -8.715
37 HG1 THR 4 HG1 THR 4 11.446 -2.511 -7.812
38 HG21 THR 4 HG21 THR 4 14.626 -3.792 -8.359
39 HG22 THR 4 HG22 THR 4 15.506 -2.382 -7.735
40 HG23 THR 4 HG23 THR 4 14.663 -3.471 -6.608
41 H CYS 5 H CYS 5 15.687 -0.658 -5.707
42 HA CYS 5 HA CYS 5 15.970 2.067 -6.622
43 HB2 CYS 5 HB2 CYS 5 16.928 1.287 -4.506
44 HB3 CYS 5 HB3 CYS 5 17.952 0.127 -5.382
45 HA PRO 6 HA PRO 6 17.684 1.041 -10.636
46 HB2 PRO 6 HB2 PRO 6 18.870 3.777 -10.470
47 HB3 PRO 6 HB3 PRO 6 17.796 3.085 -11.728
48 HG2 PRO 6 HG2 PRO 6 16.901 4.924 -9.893
49 HG3 PRO 6 HG3 PRO 6 15.865 3.576 -10.481
50 HD2 PRO 6 HD2 PRO 6 17.396 3.788 -7.886
51 HD3 PRO 6 HD3 PRO 6 15.755 3.142 -8.202
52 H GLU 7 H GLU 7 19.433 2.015 -7.782
53 HA GLU 7 HA GLU 7 22.033 1.385 -9.115
54 HB2 GLU 7 HB2 GLU 7 21.454 3.018 -6.616
55 HB3 GLU 7 HB3 GLU 7 23.053 2.750 -7.325
56 HG2 GLU 7 HG2 GLU 7 20.719 4.153 -8.708
57 HG3 GLU 7 HG3 GLU 7 22.069 4.967 -7.916
58 H CYS 8 H CYS 8 20.133 0.866 -6.088
59 HA CYS 8 HA CYS 8 22.120 -1.036 -5.116
60 HB2 CYS 8 HB2 CYS 8 19.314 -0.412 -4.097
61 HB3 CYS 8 HB3 CYS 8 20.531 -1.398 -3.270
62 H ALA 9 H ALA 9 19.424 -1.122 -7.255
63 HA ALA 9 HA ALA 9 18.253 -2.781 -8.258
64 HB1 ALA 9 HB1 ALA 9 20.804 -4.373 -7.759
65 HB2 ALA 9 HB2 ALA 9 19.551 -4.730 -8.971
66 HB3 ALA 9 HB3 ALA 9 20.523 -3.254 -9.114
67 H SER 10 H SER 10 17.660 -2.454 -5.529
68 HA SER 10 HA SER 10 16.891 -5.214 -4.755
69 HB2 SER 10 HB2 SER 10 18.998 -4.542 -3.585
70 HB3 SER 10 HB3 SER 10 18.140 -3.158 -2.892
71 HG SER 10 HG SER 10 18.120 -4.973 -1.494
72 H ARG 11 H ARG 11 15.043 -5.308 -3.383
73 HA ARG 11 HA ARG 11 13.166 -3.147 -4.009
74 HB2 ARG 11 HB2 ARG 11 12.778 -5.860 -2.688
75 HB3 ARG 11 HB3 ARG 11 11.479 -4.725 -3.117
76 HG2 ARG 11 HG2 ARG 11 12.268 -4.799 -5.502
77 HG3 ARG 11 HG3 ARG 11 13.421 -6.069 -5.038
78 HD2 ARG 11 HD2 ARG 11 11.542 -7.453 -4.204
79 HD3 ARG 11 HD3 ARG 11 10.398 -6.193 -4.707
80 HE ARG 11 HE ARG 11 11.823 -8.107 -6.419
81 HH11 ARG 11 HH11 ARG 11 10.021 -5.069 -6.281
82 HH12 ARG 11 HH12 ARG 11 9.543 -5.139 -7.963
83 HH21 ARG 11 HH21 ARG 11 11.204 -8.160 -8.615
84 HH22 ARG 11 HH22 ARG 11 10.212 -6.884 -9.280
85 H TYR 12 H TYR 12 11.851 -2.077 -2.499
86 HA TYR 12 HA TYR 12 12.296 -2.458 0.340
87 HB2 TYR 12 HB2 TYR 12 14.105 -1.004 0.030
88 HB3 TYR 12 HB3 TYR 12 13.200 0.034 -1.080
89 HD1 TYR 12 HD2 TYR 12 13.592 -0.930 2.468
90 HD2 TYR 12 HD1 TYR 12 11.767 1.790 -0.316
91 HE1 TYR 12 HE2 TYR 12 12.971 0.581 4.355
92 HE2 TYR 12 HE1 TYR 12 11.178 3.315 1.544
93 HH TYR 12 HH TYR 12 11.240 3.671 3.813
94 H PHE 13 H PHE 13 10.563 -1.864 1.608
95 HA PHE 13 HA PHE 13 8.221 -1.145 -0.043
96 HB2 PHE 13 HB2 PHE 13 6.931 -2.400 1.775
97 HB3 PHE 13 HB3 PHE 13 7.856 -3.298 0.576
98 HD1 PHE 13 HD1 PHE 13 7.779 -2.220 4.120
99 HD2 PHE 13 HD2 PHE 13 9.773 -4.622 1.159
100 HE1 PHE 13 HE1 PHE 13 9.039 -3.394 5.914
101 HE2 PHE 13 HE2 PHE 13 11.020 -5.797 2.951
102 HZ PHE 13 HZ PHE 13 10.662 -5.176 5.329
103 H VAL 14 H VAL 14 6.516 0.073 0.613
104 HA VAL 14 HA VAL 14 6.726 1.609 3.109
105 HB VAL 14 HB VAL 14 6.497 3.749 1.974
106 HG11 VAL 14 HG11 VAL 14 8.783 2.932 2.491
107 HG12 VAL 14 HG12 VAL 14 8.899 2.269 0.840
108 HG13 VAL 14 HG13 VAL 14 8.735 4.024 1.097
109 HG21 VAL 14 HG21 VAL 14 5.374 2.990 -0.086
110 HG22 VAL 14 HG22 VAL 14 6.812 3.956 -0.466
111 HG23 VAL 14 HG23 VAL 14 6.868 2.181 -0.613
112 H ASP 15 H ASP 15 4.722 2.948 3.432
113 HA ASP 15 HA ASP 15 2.378 1.401 2.956
114 HB2 ASP 15 HB2 ASP 15 2.749 2.937 4.879
115 HB3 ASP 15 HB3 ASP 15 2.686 4.316 3.774
116 H ASP 16 H ASP 16 0.542 1.883 1.609
117 HA ASP 16 HA ASP 16 1.247 2.699 -1.033
118 HB2 ASP 16 HB2 ASP 16 -1.445 2.212 0.280
119 HB3 ASP 16 HB3 ASP 16 -1.213 2.491 -1.454
120 H SER 17 H SER 17 0.356 4.600 1.703
121 HA SER 17 HA SER 17 -0.962 6.727 0.260
122 HB2 SER 17 HB2 SER 17 -1.324 6.305 2.656
123 HB3 SER 17 HB3 SER 17 0.389 6.650 2.983
124 HG SER 17 HG SER 17 -1.566 8.430 1.958
125 H LYS 18 H LYS 18 2.316 5.717 0.461
126 HA LYS 18 HA LYS 18 3.568 8.319 0.411
127 HB2 LYS 18 HB2 LYS 18 4.538 5.523 -0.271
128 HB3 LYS 18 HB3 LYS 18 5.584 6.959 -0.246
129 HG2 LYS 18 HG2 LYS 18 3.936 6.071 2.153
130 HG3 LYS 18 HG3 LYS 18 5.625 5.594 1.864
131 HD2 LYS 18 HD2 LYS 18 6.212 8.042 1.668
132 HD3 LYS 18 HD3 LYS 18 4.574 8.426 2.242
133 HE2 LYS 18 HE2 LYS 18 6.560 6.647 3.717
134 HE3 LYS 18 HE3 LYS 18 6.357 8.373 4.030
135 HZ1 LYS 18 HZ1 LYS 18 5.057 7.027 5.544
136 HZ2 LYS 18 HZ2 LYS 18 4.064 7.940 4.602
137 HZ3 LYS 18 HZ3 LYS 18 4.242 6.333 4.300
138 H VAL 19 H VAL 19 1.822 6.568 -1.969
139 HA VAL 19 HA VAL 19 2.946 8.311 -4.080
140 HB VAL 19 HB VAL 19 2.616 5.307 -4.398
141 HG11 VAL 19 HG11 VAL 19 3.746 5.725 -6.577
142 HG12 VAL 19 HG12 VAL 19 2.183 6.556 -6.472
143 HG13 VAL 19 HG13 VAL 19 3.696 7.471 -6.254
144 HG21 VAL 19 HG21 VAL 19 4.580 5.767 -3.022
145 HG22 VAL 19 HG22 VAL 19 5.091 5.301 -4.660
146 HG23 VAL 19 HG23 VAL 19 5.132 7.008 -4.178
147 H GLY 20 H GLY 20 1.408 9.152 -5.393
148 HA2 GLY 20 HA2 GLY 20 -1.391 8.266 -4.965
149 HA3 GLY 20 HA3 GLY 20 -0.870 9.791 -5.685
150 HA PRO 21 HA PRO 21 -2.013 6.715 -9.035
151 HB2 PRO 21 HB2 PRO 21 -4.071 8.153 -10.158
152 HB3 PRO 21 HB3 PRO 21 -4.295 7.018 -8.789
153 HG2 PRO 21 HG2 PRO 21 -4.043 10.031 -8.709
154 HG3 PRO 21 HG3 PRO 21 -5.165 8.979 -7.789
155 HD2 PRO 21 HD2 PRO 21 -2.819 9.984 -6.741
156 HD3 PRO 21 HD3 PRO 21 -3.515 8.422 -6.227
157 H ASP 22 H ASP 22 -1.145 10.057 -8.699
158 HA ASP 22 HA ASP 22 -0.383 10.265 -11.542
159 HB2 ASP 22 HB2 ASP 22 0.082 12.670 -10.936
160 HB3 ASP 22 HB3 ASP 22 -1.606 12.144 -10.875
161 H GLY 23 H GLY 23 0.962 8.966 -8.879
162 HA2 GLY 23 HA2 GLY 23 3.142 8.228 -8.612
163 HA3 GLY 23 HA3 GLY 23 3.680 9.300 -9.910
164 H ARG 24 H ARG 24 5.144 9.008 -7.559
165 HA ARG 24 HA ARG 24 5.205 11.754 -6.551
166 HB2 ARG 24 HB2 ARG 24 3.488 10.254 -5.213
167 HB3 ARG 24 HB3 ARG 24 4.936 9.559 -4.484
168 HG2 ARG 24 HG2 ARG 24 4.328 12.551 -4.538
169 HG3 ARG 24 HG3 ARG 24 3.821 11.465 -3.229
170 HD2 ARG 24 HD2 ARG 24 6.241 10.811 -2.931
171 HD3 ARG 24 HD3 ARG 24 6.670 12.126 -4.051
172 HE ARG 24 HE ARG 24 5.051 13.330 -2.157
173 HH11 ARG 24 HH11 ARG 24 8.063 11.483 -2.111
174 HH12 ARG 24 HH12 ARG 24 8.658 12.263 -0.663
175 HH21 ARG 24 HH21 ARG 24 5.846 14.332 -0.273
176 HH22 ARG 24 HH22 ARG 24 7.406 13.877 0.371
177 H VAL 25 H VAL 25 7.306 12.276 -5.977
178 HA VAL 25 HA VAL 25 9.378 10.432 -6.683
179 HB VAL 25 HB VAL 25 9.462 12.928 -6.918
180 HG11 VAL 25 HG11 VAL 25 10.048 12.828 -3.928
181 HG12 VAL 25 HG12 VAL 25 10.126 14.263 -4.971
182 HG13 VAL 25 HG13 VAL 25 8.559 13.470 -4.660
183 HG21 VAL 25 HG21 VAL 25 11.737 11.696 -5.313
184 HG22 VAL 25 HG22 VAL 25 11.490 11.496 -7.062
185 HG23 VAL 25 HG23 VAL 25 11.840 13.105 -6.386
186 H VAL 26 H VAL 26 11.004 9.471 -5.440
187 HA VAL 26 HA VAL 26 10.565 9.324 -2.517
188 HB VAL 26 HB VAL 26 10.673 6.938 -2.474
189 HG11 VAL 26 HG11 VAL 26 8.760 7.705 -4.719
190 HG12 VAL 26 HG12 VAL 26 8.650 6.282 -3.666
191 HG13 VAL 26 HG13 VAL 26 8.430 7.908 -2.982
192 HG21 VAL 26 HG21 VAL 26 12.287 6.608 -4.322
193 HG22 VAL 26 HG22 VAL 26 10.865 5.567 -4.500
194 HG23 VAL 26 HG23 VAL 26 11.020 7.033 -5.497
195 H ARG 27 H ARG 27 12.477 8.009 -1.512
196 HA ARG 27 HA ARG 27 14.987 8.564 -2.994
197 HB2 ARG 27 HB2 ARG 27 15.983 9.602 -1.021
198 HB3 ARG 27 HB3 ARG 27 14.556 10.515 -1.548
199 HG2 ARG 27 HG2 ARG 27 13.195 9.406 0.207
200 HG3 ARG 27 HG3 ARG 27 14.629 8.499 0.740
201 HD2 ARG 27 HD2 ARG 27 15.799 10.644 1.200
202 HD3 ARG 27 HD3 ARG 27 14.354 11.530 0.698
203 HE ARG 27 HE ARG 27 13.257 10.916 2.684
204 HH11 ARG 27 HH11 ARG 27 16.406 9.330 2.435
205 HH12 ARG 27 HH12 ARG 27 16.416 8.829 4.111
206 HH21 ARG 27 HH21 ARG 27 13.300 10.257 4.869
207 HH22 ARG 27 HH22 ARG 27 14.670 9.363 5.486
208 H CYS 28 H CYS 28 16.733 7.274 -2.436
209 HA CYS 28 HA CYS 28 15.988 4.656 -1.406
210 HB2 CYS 28 HB2 CYS 28 17.407 5.060 -3.438
211 HB3 CYS 28 HB3 CYS 28 18.675 5.713 -2.382
212 H ALA 29 H ALA 29 16.574 3.746 0.505
213 HA ALA 29 HA ALA 29 17.751 5.454 2.565
214 HB1 ALA 29 HB1 ALA 29 16.872 2.539 2.570
215 HB2 ALA 29 HB2 ALA 29 17.312 3.493 4.006
216 HB3 ALA 29 HB3 ALA 29 15.872 3.933 3.059
217 H SER 30 H SER 30 19.025 3.490 0.085
218 HA SER 30 HA SER 30 21.305 2.616 1.788
219 HB2 SER 30 HB2 SER 30 20.021 1.398 -0.663
220 HB3 SER 30 HB3 SER 30 21.593 0.871 -0.021
221 HG SER 30 HG SER 30 20.609 0.337 1.897
222 H CYS 31 H CYS 31 20.477 4.656 -0.925
223 HA CYS 31 HA CYS 31 23.342 5.301 -1.108
224 HB2 CYS 31 HB2 CYS 31 23.549 5.001 -3.469
225 HB3 CYS 31 HB3 CYS 31 22.927 3.482 -2.779
226 H GLY 32 H GLY 32 20.133 6.348 -1.017
227 HA2 GLY 32 HA2 GLY 32 19.437 8.529 -0.762
228 HA3 GLY 32 HA3 GLY 32 21.063 9.089 -1.189
229 H ASN 33 H ASN 33 20.081 6.934 -3.580
230 HA ASN 33 HA ASN 33 19.758 8.910 -5.594
231 HB2 ASN 33 HB2 ASN 33 20.486 6.509 -5.878
232 HB3 ASN 33 HB3 ASN 33 18.810 6.021 -5.599
233 HD21 ASN 33 HD22 ASN 33 18.639 5.104 -7.694
234 HD22 ASN 33 HD21 ASN 33 18.511 6.101 -9.127
235 H ARG 34 H ARG 34 17.826 9.445 -6.830
236 HA ARG 34 HA ARG 34 15.270 8.997 -5.379
237 HB2 ARG 34 HB2 ARG 34 16.278 11.691 -6.363
238 HB3 ARG 34 HB3 ARG 34 14.686 11.365 -5.647
239 HG2 ARG 34 HG2 ARG 34 15.802 10.607 -3.553
240 HG3 ARG 34 HG3 ARG 34 17.385 10.996 -4.259
241 HD2 ARG 34 HD2 ARG 34 15.113 12.977 -3.808
242 HD3 ARG 34 HD3 ARG 34 16.542 12.806 -2.777
243 HE ARG 34 HE ARG 34 16.372 14.168 -5.341
244 HH11 ARG 34 HH11 ARG 34 18.550 12.451 -3.142
245 HH12 ARG 34 HH12 ARG 34 19.979 13.261 -3.740
246 HH21 ARG 34 HH21 ARG 34 18.256 15.205 -6.099
247 HH22 ARG 34 HH22 ARG 34 19.815 14.810 -5.418
248 H TRP 35 H TRP 35 13.441 8.949 -6.643
249 HA TRP 35 HA TRP 35 13.486 9.663 -9.466
250 HB2 TRP 35 HB2 TRP 35 13.025 7.433 -10.308
251 HB3 TRP 35 HB3 TRP 35 14.606 7.466 -9.527
252 HD1 TRP 35 HD1 TRP 35 11.162 5.932 -9.259
253 HE1 TRP 35 HE1 TRP 35 11.122 4.093 -7.495
254 HE3 TRP 35 HE3 TRP 35 15.800 6.666 -7.226
255 HZ2 TRP 35 HZ2 TRP 35 12.850 3.097 -5.413
256 HZ3 TRP 35 HZ3 TRP 35 16.561 5.262 -5.333
257 HH2 TRP 35 HH2 TRP 35 15.098 3.488 -4.414
258 H THR 36 H THR 36 11.313 9.376 -10.435
259 HA THR 36 HA THR 36 9.218 9.735 -8.472
260 HB THR 36 HB THR 36 8.823 9.424 -11.443
261 HG1 THR 36 HG1 THR 36 9.231 11.636 -11.556
262 HG21 THR 36 HG21 THR 36 7.383 10.993 -9.262
263 HG22 THR 36 HG22 THR 36 6.967 11.013 -10.993
264 HG23 THR 36 HG23 THR 36 6.796 9.514 -10.058
265 H ALA 37 H ALA 37 8.080 8.202 -7.484
266 HA ALA 37 HA ALA 37 8.024 5.487 -8.622
267 HB1 ALA 37 HB1 ALA 37 6.920 6.629 -6.026
268 HB2 ALA 37 HB2 ALA 37 6.974 4.909 -6.469
269 HB3 ALA 37 HB3 ALA 37 8.489 5.804 -6.214
270 H PHE 38 H PHE 38 5.921 4.327 -8.745
271 HA PHE 38 HA PHE 38 3.633 6.092 -9.297
272 HB2 PHE 38 HB2 PHE 38 4.980 4.270 -11.259
273 HB3 PHE 38 HB3 PHE 38 3.267 4.656 -11.394
274 HD1 PHE 38 HD2 PHE 38 2.493 6.918 -11.918
275 HD2 PHE 38 HD1 PHE 38 6.690 6.007 -11.648
276 HE1 PHE 38 HE2 PHE 38 3.034 9.064 -13.037
277 HE2 PHE 38 HE1 PHE 38 7.224 8.151 -12.778
278 HZ PHE 38 HZ PHE 38 5.396 9.680 -13.465
279 H LYS 39 H LYS 39 1.647 4.719 -9.972
280 HA LYS 39 HA LYS 39 1.456 2.384 -8.137
281 HB2 LYS 39 HB2 LYS 39 0.685 4.274 -6.878
282 HB3 LYS 39 HB3 LYS 39 -0.322 4.848 -8.224
283 HG2 LYS 39 HG2 LYS 39 -1.805 2.959 -8.040
284 HG3 LYS 39 HG3 LYS 39 -0.721 2.145 -6.889
285 HD2 LYS 39 HD2 LYS 39 -2.094 4.809 -6.361
286 HD3 LYS 39 HD3 LYS 39 -2.707 3.229 -5.815
287 HE2 LYS 39 HE2 LYS 39 -0.519 2.851 -4.639
288 HE3 LYS 39 HE3 LYS 39 -0.029 4.494 -5.076
289 HZ1 LYS 39 HZ1 LYS 39 -2.363 3.793 -3.430
290 HZ2 LYS 39 HZ2 LYS 39 -0.953 4.447 -2.888
291 HZ3 LYS 39 HZ3 LYS 39 -1.928 5.321 -3.867
292 H ASP 40 H ASP 40 -0.242 0.926 -8.634
293 HA ASP 40 HA ASP 40 -1.685 1.286 -11.189
294 HB2 ASP 40 HB2 ASP 40 0.552 0.290 -11.738
295 HB3 ASP 40 HB3 ASP 40 0.201 -1.046 -10.635
296 H GLU 41 H GLU 41 -1.311 0.004 -8.001
297 HA GLU 41 HA GLU 41 -3.243 -2.116 -8.127
298 HB2 GLU 41 HB2 GLU 41 -2.171 -0.435 -5.817
299 HB3 GLU 41 HB3 GLU 41 -3.192 -1.866 -5.640
300 HG2 GLU 41 HG2 GLU 41 -1.053 -2.749 -5.357
301 HG3 GLU 41 HG3 GLU 41 -1.383 -3.097 -7.054
302 H ALA 42 H ALA 42 -3.507 1.353 -8.029
303 HA ALA 42 HA ALA 42 -6.404 1.202 -7.883
304 HB1 ALA 42 HB1 ALA 42 -4.857 2.581 -5.645
305 HB2 ALA 42 HB2 ALA 42 -6.624 2.552 -5.847
306 HB3 ALA 42 HB3 ALA 42 -5.742 1.049 -5.486
307 H GLU 43 H GLU 43 -4.466 2.093 -9.830
308 HA GLU 43 HA GLU 43 -4.000 4.893 -9.766
309 HB2 GLU 43 HB2 GLU 43 -2.806 3.331 -11.222
310 HB3 GLU 43 HB3 GLU 43 -4.307 2.965 -12.098
311 HG2 GLU 43 HG2 GLU 43 -4.459 5.290 -12.872
312 HG3 GLU 43 HG3 GLU 43 -3.021 5.722 -11.928
313 H LEU 44 H LEU 44 -6.908 3.064 -10.357
314 HA LEU 44 HA LEU 44 -8.268 5.057 -11.954
315 HB2 LEU 44 HB2 LEU 44 -9.340 2.755 -10.276
316 HB3 LEU 44 HB3 LEU 44 -10.257 3.661 -11.493
317 HG LEU 44 HG LEU 44 -7.760 1.995 -12.040
318 HD11 LEU 44 HD11 LEU 44 -10.699 1.511 -12.671
319 HD12 LEU 44 HD12 LEU 44 -9.340 0.480 -13.174
320 HD13 LEU 44 HD13 LEU 44 -9.737 0.646 -11.450
321 HD21 LEU 44 HD21 LEU 44 -7.967 3.871 -13.633
322 HD22 LEU 44 HD22 LEU 44 -8.402 2.350 -14.433
323 HD23 LEU 44 HD23 LEU 44 -9.676 3.469 -13.907
324 H GLU 45 H GLU 45 -7.266 5.122 -8.759
325 HA GLU 45 HA GLU 45 -7.779 6.378 -6.959
326 HB2 GLU 45 HB2 GLU 45 -7.504 8.075 -8.852
327 HB3 GLU 45 HB3 GLU 45 -9.273 8.229 -8.835
328 HG2 GLU 45 HG2 GLU 45 -9.165 8.848 -6.413
329 HG3 GLU 45 HG3 GLU 45 -7.404 8.675 -6.466
330 H LEU 46 H LEU 46 -9.652 4.215 -7.682
331 HA LEU 46 HA LEU 46 -12.307 5.156 -6.937
332 HB2 LEU 46 HB2 LEU 46 -11.134 2.354 -7.179
333 HB3 LEU 46 HB3 LEU 46 -12.851 2.725 -6.944
334 HG LEU 46 HG LEU 46 -11.191 3.676 -9.317
335 HD11 LEU 46 HD11 LEU 46 -13.240 1.431 -9.106
336 HD12 LEU 46 HD12 LEU 46 -12.435 1.980 -10.596
337 HD13 LEU 46 HD13 LEU 46 -11.487 1.218 -9.300
338 HD21 LEU 46 HD21 LEU 46 -13.105 5.151 -8.834
339 HD22 LEU 46 HD22 LEU 46 -13.418 4.195 -10.294
340 HD23 LEU 46 HD23 LEU 46 -14.186 3.739 -8.756
341 H VAL 47 H VAL 47 -9.594 5.045 -5.132
342 HA VAL 47 HA VAL 47 -10.348 3.511 -2.863
343 HB VAL 47 HB VAL 47 -8.504 4.554 -1.747
344 HG11 VAL 47 HG11 VAL 47 -7.837 4.431 -4.720
345 HG12 VAL 47 HG12 VAL 47 -6.710 4.229 -3.362
346 HG13 VAL 47 HG13 VAL 47 -7.975 3.015 -3.649
347 HG21 VAL 47 HG21 VAL 47 -9.020 6.921 -2.228
348 HG22 VAL 47 HG22 VAL 47 -7.350 6.536 -2.678
349 HG23 VAL 47 HG23 VAL 47 -8.596 6.671 -3.941
350 HA PRO 48 HA PRO 48 -13.304 5.853 -0.686
351 HB2 PRO 48 HB2 PRO 48 -11.598 5.702 1.771
352 HB3 PRO 48 HB3 PRO 48 -13.293 5.169 1.535
353 HG2 PRO 48 HG2 PRO 48 -11.236 3.377 1.657
354 HG3 PRO 48 HG3 PRO 48 -12.612 3.144 0.526
355 HD2 PRO 48 HD2 PRO 48 -9.851 4.211 -0.054
356 HD3 PRO 48 HD3 PRO 48 -10.869 3.092 -1.019
357 H ARG 49 H ARG 49 -13.761 7.908 0.348
358 HA ARG 49 HA ARG 49 -11.562 9.790 0.803
359 HB2 ARG 49 HB2 ARG 49 -11.824 9.937 -1.636
360 HB3 ARG 49 HB3 ARG 49 -13.572 10.174 -1.454
361 HG2 ARG 49 HG2 ARG 49 -13.190 12.286 -0.248
362 HG3 ARG 49 HG3 ARG 49 -11.430 12.038 -0.342
363 HD2 ARG 49 HD2 ARG 49 -11.565 12.071 -2.816
364 HD3 ARG 49 HD3 ARG 49 -13.313 12.323 -2.724
365 HE ARG 49 HE ARG 49 -11.188 14.287 -2.105
366 HH11 ARG 49 HH11 ARG 49 -14.634 13.505 -2.124
367 HH12 ARG 49 HH12 ARG 49 -15.134 15.178 -2.002
368 HH21 ARG 49 HH21 ARG 49 -11.870 16.460 -1.947
369 HH22 ARG 49 HH22 ARG 49 -13.574 16.841 -1.899
Start of MODEL 9
1 H1 MET 1 H1 MET 1 1.907 -1.285 -0.626
2 H2 MET 1 H2 MET 1 3.253 -0.523 -0.069
3 H3 MET 1 H3 MET 1 3.136 -2.159 0.040
4 HA MET 1 HA MET 1 3.204 -2.429 -2.298
5 HB2 MET 1 HB2 MET 1 3.521 -0.496 -3.772
6 HB3 MET 1 HB3 MET 1 2.023 -0.332 -2.836
7 HG2 MET 1 HG2 MET 1 3.391 1.059 -1.171
8 HG3 MET 1 HG3 MET 1 4.663 1.100 -2.401
9 HE1 MET 1 HE1 MET 1 4.366 2.230 -4.802
10 HE2 MET 1 HE2 MET 1 2.911 1.246 -5.106
11 HE3 MET 1 HE3 MET 1 2.865 3.007 -5.352
12 H ILE 2 H ILE 2 5.301 -1.946 -3.697
13 HA ILE 2 HA ILE 2 7.577 -1.470 -1.861
14 HB ILE 2 HB ILE 2 6.770 -3.978 -2.194
15 HG12 ILE 2 HG12 ILE 2 9.721 -3.377 -2.469
16 HG13 ILE 2 HG13 ILE 2 8.802 -2.969 -0.999
17 HG21 ILE 2 HG21 ILE 2 8.665 -3.605 -4.558
18 HG22 ILE 2 HG22 ILE 2 7.924 -5.128 -4.012
19 HG23 ILE 2 HG23 ILE 2 6.911 -3.848 -4.710
20 HD11 ILE 2 HD11 ILE 2 9.874 -5.167 -0.769
21 HD12 ILE 2 HD12 ILE 2 8.103 -5.295 -0.728
22 HD13 ILE 2 HD13 ILE 2 8.998 -5.761 -2.201
23 H LEU 3 H LEU 3 9.539 -0.925 -2.915
24 HA LEU 3 HA LEU 3 9.296 -0.175 -5.786
25 HB2 LEU 3 HB2 LEU 3 10.265 1.564 -3.480
26 HB3 LEU 3 HB3 LEU 3 10.444 1.977 -5.192
27 HG LEU 3 HG LEU 3 7.751 1.456 -3.853
28 HD11 LEU 3 HD11 LEU 3 7.500 3.910 -3.892
29 HD12 LEU 3 HD12 LEU 3 8.872 3.425 -2.866
30 HD13 LEU 3 HD13 LEU 3 9.167 4.074 -4.497
31 HD21 LEU 3 HD21 LEU 3 7.767 1.134 -6.302
32 HD22 LEU 3 HD22 LEU 3 6.895 2.620 -5.876
33 HD23 LEU 3 HD23 LEU 3 8.554 2.718 -6.514
34 H THR 4 H THR 4 11.280 -0.114 -6.931
35 HA THR 4 HA THR 4 13.516 -1.419 -5.485
36 HB THR 4 HB THR 4 13.158 -1.691 -8.453
37 HG1 THR 4 HG1 THR 4 11.235 -2.401 -7.586
38 HG21 THR 4 HG21 THR 4 14.395 -3.789 -8.040
39 HG22 THR 4 HG22 THR 4 15.295 -2.394 -7.420
40 HG23 THR 4 HG23 THR 4 14.401 -3.446 -6.297
41 H CYS 5 H CYS 5 15.557 -0.644 -5.578
42 HA CYS 5 HA CYS 5 15.871 2.079 -6.526
43 HB2 CYS 5 HB2 CYS 5 16.936 1.288 -4.461
44 HB3 CYS 5 HB3 CYS 5 17.863 0.088 -5.394
45 HA PRO 6 HA PRO 6 17.318 0.972 -10.621
46 HB2 PRO 6 HB2 PRO 6 18.589 3.667 -10.549
47 HB3 PRO 6 HB3 PRO 6 17.427 3.000 -11.738
48 HG2 PRO 6 HG2 PRO 6 16.681 4.873 -9.887
49 HG3 PRO 6 HG3 PRO 6 15.583 3.545 -10.391
50 HD2 PRO 6 HD2 PRO 6 17.259 3.747 -7.898
51 HD3 PRO 6 HD3 PRO 6 15.583 3.141 -8.113
52 H GLU 7 H GLU 7 19.265 1.948 -7.881
53 HA GLU 7 HA GLU 7 21.762 1.239 -9.352
54 HB2 GLU 7 HB2 GLU 7 21.381 2.901 -6.835
55 HB3 GLU 7 HB3 GLU 7 22.919 2.606 -7.656
56 HG2 GLU 7 HG2 GLU 7 20.514 4.039 -8.871
57 HG3 GLU 7 HG3 GLU 7 21.937 4.836 -8.198
58 H CYS 8 H CYS 8 20.024 0.783 -6.216
59 HA CYS 8 HA CYS 8 22.028 -1.148 -5.322
60 HB2 CYS 8 HB2 CYS 8 19.285 -0.459 -4.183
61 HB3 CYS 8 HB3 CYS 8 20.519 -1.462 -3.407
62 H ALA 9 H ALA 9 19.215 -1.199 -7.321
63 HA ALA 9 HA ALA 9 17.955 -2.838 -8.237
64 HB1 ALA 9 HB1 ALA 9 20.470 -4.509 -7.827
65 HB2 ALA 9 HB2 ALA 9 19.145 -4.849 -8.968
66 HB3 ALA 9 HB3 ALA 9 20.164 -3.415 -9.195
67 H SER 10 H SER 10 17.625 -2.429 -5.430
68 HA SER 10 HA SER 10 16.807 -5.152 -4.555
69 HB2 SER 10 HB2 SER 10 18.953 -4.438 -3.496
70 HB3 SER 10 HB3 SER 10 18.115 -3.025 -2.823
71 HG SER 10 HG SER 10 17.548 -5.763 -2.325
72 H ARG 11 H ARG 11 14.962 -5.216 -3.229
73 HA ARG 11 HA ARG 11 13.128 -2.983 -3.747
74 HB2 ARG 11 HB2 ARG 11 12.728 -5.774 -2.612
75 HB3 ARG 11 HB3 ARG 11 11.423 -4.600 -2.873
76 HG2 ARG 11 HG2 ARG 11 12.049 -4.472 -5.286
77 HG3 ARG 11 HG3 ARG 11 13.271 -5.738 -5.016
78 HD2 ARG 11 HD2 ARG 11 11.506 -7.282 -4.254
79 HD3 ARG 11 HD3 ARG 11 10.286 -6.018 -4.480
80 HE ARG 11 HE ARG 11 10.999 -6.032 -6.929
81 HH11 ARG 11 HH11 ARG 11 11.244 -8.905 -4.871
82 HH12 ARG 11 HH12 ARG 11 11.126 -10.016 -6.217
83 HH21 ARG 11 HH21 ARG 11 10.858 -7.514 -8.660
84 HH22 ARG 11 HH22 ARG 11 10.905 -9.235 -8.346
85 H TYR 12 H TYR 12 11.815 -1.984 -2.164
86 HA TYR 12 HA TYR 12 12.282 -2.567 0.671
87 HB2 TYR 12 HB2 TYR 12 12.893 -0.310 1.260
88 HB3 TYR 12 HB3 TYR 12 14.062 -0.903 0.078
89 HD1 TYR 12 HD2 TYR 12 14.044 -0.034 -2.249
90 HD2 TYR 12 HD1 TYR 12 11.440 1.552 0.782
91 HE1 TYR 12 HE2 TYR 12 13.655 1.983 -3.644
92 HE2 TYR 12 HE1 TYR 12 11.047 3.573 -0.605
93 HH TYR 12 HH TYR 12 12.631 4.026 -3.786
94 H PHE 13 H PHE 13 10.458 -1.933 1.899
95 HA PHE 13 HA PHE 13 8.146 -1.372 0.168
96 HB2 PHE 13 HB2 PHE 13 6.847 -2.348 2.136
97 HB3 PHE 13 HB3 PHE 13 7.801 -3.406 1.102
98 HD1 PHE 13 HD1 PHE 13 7.671 -1.810 4.440
99 HD2 PHE 13 HD2 PHE 13 9.715 -4.615 1.895
100 HE1 PHE 13 HE1 PHE 13 8.913 -2.682 6.399
101 HE2 PHE 13 HE2 PHE 13 10.950 -5.490 3.859
102 HZ PHE 13 HZ PHE 13 10.550 -4.525 6.114
103 H VAL 14 H VAL 14 6.409 -0.083 0.669
104 HA VAL 14 HA VAL 14 6.711 1.864 2.859
105 HB VAL 14 HB VAL 14 6.425 3.770 1.394
106 HG11 VAL 14 HG11 VAL 14 8.706 2.048 0.348
107 HG12 VAL 14 HG12 VAL 14 8.592 3.820 0.268
108 HG13 VAL 14 HG13 VAL 14 8.749 3.012 1.843
109 HG21 VAL 14 HG21 VAL 14 6.562 1.776 -0.900
110 HG22 VAL 14 HG22 VAL 14 5.123 2.708 -0.403
111 HG23 VAL 14 HG23 VAL 14 6.544 3.544 -1.068
112 H ASP 15 H ASP 15 4.707 3.144 3.160
113 HA ASP 15 HA ASP 15 2.387 1.498 2.983
114 HB2 ASP 15 HB2 ASP 15 2.729 4.444 3.625
115 HB3 ASP 15 HB3 ASP 15 1.205 3.562 3.779
116 H ASP 16 H ASP 16 0.412 1.821 1.823
117 HA ASP 16 HA ASP 16 0.868 2.385 -0.947
118 HB2 ASP 16 HB2 ASP 16 -1.672 1.889 0.639
119 HB3 ASP 16 HB3 ASP 16 -1.618 2.048 -1.123
120 H SER 17 H SER 17 0.095 4.480 1.668
121 HA SER 17 HA SER 17 -1.236 6.481 -0.017
122 HB2 SER 17 HB2 SER 17 -1.286 7.798 2.067
123 HB3 SER 17 HB3 SER 17 -1.887 6.149 2.337
124 HG SER 17 HG SER 17 -0.377 6.831 3.939
125 H LYS 18 H LYS 18 1.994 5.504 0.521
126 HA LYS 18 HA LYS 18 3.218 8.123 0.564
127 HB2 LYS 18 HB2 LYS 18 4.182 6.064 1.600
128 HB3 LYS 18 HB3 LYS 18 4.333 5.345 -0.012
129 HG2 LYS 18 HG2 LYS 18 6.467 6.254 0.771
130 HG3 LYS 18 HG3 LYS 18 5.906 7.099 -0.684
131 HD2 LYS 18 HD2 LYS 18 5.151 9.003 0.643
132 HD3 LYS 18 HD3 LYS 18 5.440 8.120 2.153
133 HE2 LYS 18 HE2 LYS 18 7.245 9.725 1.715
134 HE3 LYS 18 HE3 LYS 18 7.854 8.065 1.692
135 HZ1 LYS 18 HZ1 LYS 18 7.177 9.644 -0.696
136 HZ2 LYS 18 HZ2 LYS 18 8.698 9.352 -0.138
137 HZ3 LYS 18 HZ3 LYS 18 7.773 8.109 -0.692
138 H VAL 19 H VAL 19 1.794 6.169 -1.870
139 HA VAL 19 HA VAL 19 2.985 7.852 -3.987
140 HB VAL 19 HB VAL 19 2.794 4.843 -4.233
141 HG11 VAL 19 HG11 VAL 19 2.660 6.068 -6.360
142 HG12 VAL 19 HG12 VAL 19 4.126 6.990 -5.939
143 HG13 VAL 19 HG13 VAL 19 4.224 5.237 -6.226
144 HG21 VAL 19 HG21 VAL 19 5.276 4.844 -4.127
145 HG22 VAL 19 HG22 VAL 19 5.237 6.561 -3.661
146 HG23 VAL 19 HG23 VAL 19 4.532 5.319 -2.591
147 H GLY 20 H GLY 20 1.623 8.236 -5.751
148 HA2 GLY 20 HA2 GLY 20 -1.104 7.019 -5.591
149 HA3 GLY 20 HA3 GLY 20 -0.858 8.749 -5.855
150 HA PRO 21 HA PRO 21 -0.975 6.415 -9.930
151 HB2 PRO 21 HB2 PRO 21 -3.262 7.555 -10.949
152 HB3 PRO 21 HB3 PRO 21 -3.268 6.098 -9.900
153 HG2 PRO 21 HG2 PRO 21 -3.795 8.980 -9.139
154 HG3 PRO 21 HG3 PRO 21 -4.678 7.507 -8.619
155 HD2 PRO 21 HD2 PRO 21 -2.737 8.745 -7.097
156 HD3 PRO 21 HD3 PRO 21 -3.051 6.985 -7.016
157 H ASP 22 H ASP 22 -1.208 9.726 -8.807
158 HA ASP 22 HA ASP 22 -0.375 10.858 -11.371
159 HB2 ASP 22 HB2 ASP 22 -0.278 12.995 -10.021
160 HB3 ASP 22 HB3 ASP 22 -1.857 12.227 -10.181
161 H GLY 23 H GLY 23 1.180 9.111 -9.046
162 HA2 GLY 23 HA2 GLY 23 3.416 8.622 -8.898
163 HA3 GLY 23 HA3 GLY 23 3.810 9.983 -9.960
164 H ARG 24 H ARG 24 5.206 9.258 -7.560
165 HA ARG 24 HA ARG 24 5.117 11.821 -6.152
166 HB2 ARG 24 HB2 ARG 24 3.442 10.041 -5.117
167 HB3 ARG 24 HB3 ARG 24 4.920 9.324 -4.458
168 HG2 ARG 24 HG2 ARG 24 4.183 12.257 -4.085
169 HG3 ARG 24 HG3 ARG 24 3.639 10.984 -2.983
170 HD2 ARG 24 HD2 ARG 24 6.033 10.346 -2.609
171 HD3 ARG 24 HD3 ARG 24 6.519 11.754 -3.569
172 HE ARG 24 HE ARG 24 4.682 12.428 -1.421
173 HH11 ARG 24 HH11 ARG 24 8.080 11.819 -2.206
174 HH12 ARG 24 HH12 ARG 24 8.676 12.828 -0.908
175 HH21 ARG 24 HH21 ARG 24 5.498 13.716 0.277
176 HH22 ARG 24 HH22 ARG 24 7.222 13.895 0.492
177 H VAL 25 H VAL 25 7.189 12.352 -5.528
178 HA VAL 25 HA VAL 25 9.313 10.663 -6.463
179 HB VAL 25 HB VAL 25 9.270 13.182 -6.471
180 HG11 VAL 25 HG11 VAL 25 10.079 12.799 -3.560
181 HG12 VAL 25 HG12 VAL 25 10.037 14.336 -4.458
182 HG13 VAL 25 HG13 VAL 25 8.522 13.467 -4.115
183 HG21 VAL 25 HG21 VAL 25 11.681 11.849 -5.169
184 HG22 VAL 25 HG22 VAL 25 11.315 11.855 -6.912
185 HG23 VAL 25 HG23 VAL 25 11.673 13.382 -6.072
186 H VAL 26 H VAL 26 10.968 9.610 -5.369
187 HA VAL 26 HA VAL 26 10.684 9.240 -2.453
188 HB VAL 26 HB VAL 26 10.824 6.839 -2.624
189 HG11 VAL 26 HG11 VAL 26 8.660 7.809 -4.536
190 HG12 VAL 26 HG12 VAL 26 8.651 6.308 -3.591
191 HG13 VAL 26 HG13 VAL 26 8.559 7.877 -2.760
192 HG21 VAL 26 HG21 VAL 26 10.732 5.671 -4.796
193 HG22 VAL 26 HG22 VAL 26 10.806 7.233 -5.646
194 HG23 VAL 26 HG23 VAL 26 12.191 6.678 -4.683
195 H ARG 27 H ARG 27 12.658 8.030 -1.573
196 HA ARG 27 HA ARG 27 15.039 8.450 -3.268
197 HB2 ARG 27 HB2 ARG 27 16.207 9.717 -1.591
198 HB3 ARG 27 HB3 ARG 27 14.681 10.525 -1.969
199 HG2 ARG 27 HG2 ARG 27 14.669 10.667 0.333
200 HG3 ARG 27 HG3 ARG 27 13.778 9.145 0.122
201 HD2 ARG 27 HD2 ARG 27 15.852 7.862 0.523
202 HD3 ARG 27 HD3 ARG 27 16.783 9.369 0.603
203 HE ARG 27 HE ARG 27 14.610 9.319 2.524
204 HH11 ARG 27 HH11 ARG 27 17.881 8.165 1.880
205 HH12 ARG 27 HH12 ARG 27 18.318 8.060 3.567
206 HH21 ARG 27 HH21 ARG 27 15.187 9.170 4.732
207 HH22 ARG 27 HH22 ARG 27 16.775 8.607 5.190
208 H CYS 28 H CYS 28 16.846 7.224 -2.692
209 HA CYS 28 HA CYS 28 16.133 4.669 -1.511
210 HB2 CYS 28 HB2 CYS 28 17.514 4.996 -3.572
211 HB3 CYS 28 HB3 CYS 28 18.799 5.700 -2.571
212 H ALA 29 H ALA 29 16.743 3.850 0.440
213 HA ALA 29 HA ALA 29 18.020 5.620 2.385
214 HB1 ALA 29 HB1 ALA 29 17.593 3.752 3.932
215 HB2 ALA 29 HB2 ALA 29 16.127 4.125 2.998
216 HB3 ALA 29 HB3 ALA 29 17.121 2.713 2.568
217 H SER 30 H SER 30 19.160 3.512 -0.048
218 HA SER 30 HA SER 30 21.481 2.654 1.605
219 HB2 SER 30 HB2 SER 30 20.138 1.426 -0.818
220 HB3 SER 30 HB3 SER 30 21.697 0.876 -0.166
221 HG SER 30 HG SER 30 19.220 0.986 1.219
222 H CYS 31 H CYS 31 20.633 4.630 -1.177
223 HA CYS 31 HA CYS 31 23.507 5.228 -1.398
224 HB2 CYS 31 HB2 CYS 31 23.659 4.898 -3.759
225 HB3 CYS 31 HB3 CYS 31 23.043 3.400 -3.033
226 H GLY 32 H GLY 32 20.367 6.361 -1.157
227 HA2 GLY 32 HA2 GLY 32 19.730 8.553 -0.910
228 HA3 GLY 32 HA3 GLY 32 21.353 9.069 -1.405
229 H ASN 33 H ASN 33 20.160 6.923 -3.727
230 HA ASN 33 HA ASN 33 19.897 8.872 -5.764
231 HB2 ASN 33 HB2 ASN 33 20.394 6.414 -6.012
232 HB3 ASN 33 HB3 ASN 33 18.697 6.076 -5.649
233 HD21 ASN 33 HD22 ASN 33 18.502 5.073 -7.748
234 HD22 ASN 33 HD21 ASN 33 18.348 6.051 -9.191
235 H ARG 34 H ARG 34 17.979 9.581 -6.914
236 HA ARG 34 HA ARG 34 15.439 9.377 -5.383
237 HB2 ARG 34 HB2 ARG 34 16.534 11.395 -4.590
238 HB3 ARG 34 HB3 ARG 34 16.819 11.945 -6.251
239 HG2 ARG 34 HG2 ARG 34 14.375 12.088 -6.638
240 HG3 ARG 34 HG3 ARG 34 14.078 11.523 -4.978
241 HD2 ARG 34 HD2 ARG 34 15.596 14.050 -5.751
242 HD3 ARG 34 HD3 ARG 34 13.920 13.999 -5.190
243 HE ARG 34 HE ARG 34 16.367 13.565 -3.576
244 HH11 ARG 34 HH11 ARG 34 12.835 13.559 -3.736
245 HH12 ARG 34 HH12 ARG 34 12.638 13.602 -1.999
246 HH21 ARG 34 HH21 ARG 34 16.083 13.632 -1.309
247 HH22 ARG 34 HH22 ARG 34 14.472 13.656 -0.632
248 H TRP 35 H TRP 35 13.642 9.246 -6.612
249 HA TRP 35 HA TRP 35 13.578 10.160 -9.378
250 HB2 TRP 35 HB2 TRP 35 13.244 8.004 -10.393
251 HB3 TRP 35 HB3 TRP 35 14.786 7.974 -9.551
252 HD1 TRP 35 HD1 TRP 35 11.381 6.366 -9.621
253 HE1 TRP 35 HE1 TRP 35 11.265 4.392 -8.019
254 HE3 TRP 35 HE3 TRP 35 15.806 7.079 -7.149
255 HZ2 TRP 35 HZ2 TRP 35 12.865 3.272 -5.887
256 HZ3 TRP 35 HZ3 TRP 35 16.460 5.556 -5.314
257 HH2 TRP 35 HH2 TRP 35 14.998 3.656 -4.670
258 H THR 36 H THR 36 11.381 9.763 -10.318
259 HA THR 36 HA THR 36 9.360 9.955 -8.229
260 HB THR 36 HB THR 36 8.771 9.953 -11.174
261 HG1 THR 36 HG1 THR 36 9.238 12.148 -11.129
262 HG21 THR 36 HG21 THR 36 7.007 11.516 -10.429
263 HG22 THR 36 HG22 THR 36 6.883 9.962 -9.583
264 HG23 THR 36 HG23 THR 36 7.580 11.375 -8.751
265 H ALA 37 H ALA 37 8.233 8.347 -7.380
266 HA ALA 37 HA ALA 37 8.082 5.760 -8.809
267 HB1 ALA 37 HB1 ALA 37 7.201 4.931 -6.665
268 HB2 ALA 37 HB2 ALA 37 8.742 5.789 -6.420
269 HB3 ALA 37 HB3 ALA 37 7.203 6.586 -6.010
270 H PHE 38 H PHE 38 5.922 4.645 -8.813
271 HA PHE 38 HA PHE 38 3.605 6.405 -8.697
272 HB2 PHE 38 HB2 PHE 38 2.918 5.669 -11.057
273 HB3 PHE 38 HB3 PHE 38 4.072 6.990 -10.844
274 HD1 PHE 38 HD1 PHE 38 3.742 3.429 -11.822
275 HD2 PHE 38 HD2 PHE 38 6.339 6.851 -11.583
276 HE1 PHE 38 HE1 PHE 38 5.389 2.283 -13.281
277 HE2 PHE 38 HE2 PHE 38 7.994 5.694 -13.031
278 HZ PHE 38 HZ PHE 38 7.525 3.408 -13.869
279 H LYS 39 H LYS 39 1.537 5.376 -8.912
280 HA LYS 39 HA LYS 39 1.464 2.892 -7.498
281 HB2 LYS 39 HB2 LYS 39 -0.248 4.743 -7.403
282 HB3 LYS 39 HB3 LYS 39 -0.750 4.305 -9.043
283 HG2 LYS 39 HG2 LYS 39 -2.271 3.283 -7.455
284 HG3 LYS 39 HG3 LYS 39 -1.332 2.021 -8.260
285 HD2 LYS 39 HD2 LYS 39 -1.570 1.654 -5.809
286 HD3 LYS 39 HD3 LYS 39 0.132 1.809 -6.285
287 HE2 LYS 39 HE2 LYS 39 0.181 4.135 -5.544
288 HE3 LYS 39 HE3 LYS 39 -1.555 4.102 -5.208
289 HZ1 LYS 39 HZ1 LYS 39 0.469 2.474 -3.828
290 HZ2 LYS 39 HZ2 LYS 39 -0.282 3.812 -3.221
291 HZ3 LYS 39 HZ3 LYS 39 -1.144 2.449 -3.526
292 H ASP 40 H ASP 40 0.568 0.854 -8.226
293 HA ASP 40 HA ASP 40 0.491 0.387 -11.133
294 HB2 ASP 40 HB2 ASP 40 2.890 0.248 -10.334
295 HB3 ASP 40 HB3 ASP 40 2.412 -1.101 -9.298
296 H GLU 41 H GLU 41 -1.225 0.238 -8.531
297 HA GLU 41 HA GLU 41 -1.749 -2.552 -8.085
298 HB2 GLU 41 HB2 GLU 41 -2.213 -0.855 -6.396
299 HB3 GLU 41 HB3 GLU 41 -3.254 0.029 -7.525
300 HG2 GLU 41 HG2 GLU 41 -4.628 -1.179 -5.943
301 HG3 GLU 41 HG3 GLU 41 -4.848 -1.853 -7.553
302 H ALA 42 H ALA 42 -2.677 -0.246 -10.529
303 HA ALA 42 HA ALA 42 -4.323 -2.236 -11.894
304 HB1 ALA 42 HB1 ALA 42 -6.292 -0.739 -12.028
305 HB2 ALA 42 HB2 ALA 42 -5.937 -1.185 -10.340
306 HB3 ALA 42 HB3 ALA 42 -5.481 0.421 -10.949
307 H GLU 43 H GLU 43 -5.019 -1.370 -14.069
308 HA GLU 43 HA GLU 43 -3.525 0.950 -15.057
309 HB2 GLU 43 HB2 GLU 43 -1.853 -0.859 -15.127
310 HB3 GLU 43 HB3 GLU 43 -2.968 -1.867 -16.069
311 HG2 GLU 43 HG2 GLU 43 -2.950 -0.243 -17.899
312 HG3 GLU 43 HG3 GLU 43 -1.937 0.859 -16.948
313 H LEU 44 H LEU 44 -4.321 1.704 -17.066
314 HA LEU 44 HA LEU 44 -7.085 1.112 -17.534
315 HB2 LEU 44 HB2 LEU 44 -6.090 3.348 -17.844
316 HB3 LEU 44 HB3 LEU 44 -5.055 2.716 -19.132
317 HG LEU 44 HG LEU 44 -7.078 2.175 -20.484
318 HD11 LEU 44 HD11 LEU 44 -8.536 3.608 -18.216
319 HD12 LEU 44 HD12 LEU 44 -9.253 3.157 -19.780
320 HD13 LEU 44 HD13 LEU 44 -8.713 1.892 -18.650
321 HD21 LEU 44 HD21 LEU 44 -5.904 4.331 -20.749
322 HD22 LEU 44 HD22 LEU 44 -7.653 4.499 -21.028
323 HD23 LEU 44 HD23 LEU 44 -6.933 5.049 -19.492
324 H GLU 45 H GLU 45 -8.085 0.181 -19.383
325 HA GLU 45 HA GLU 45 -6.782 -2.159 -20.404
326 HB2 GLU 45 HB2 GLU 45 -8.820 -2.434 -21.720
327 HB3 GLU 45 HB3 GLU 45 -9.220 -1.964 -20.053
328 HG2 GLU 45 HG2 GLU 45 -9.459 0.403 -20.807
329 HG3 GLU 45 HG3 GLU 45 -9.133 -0.109 -22.473
330 H LEU 46 H LEU 46 -6.470 -2.666 -22.723
331 HA LEU 46 HA LEU 46 -4.844 -0.651 -23.991
332 HB2 LEU 46 HB2 LEU 46 -5.880 -3.304 -25.065
333 HB3 LEU 46 HB3 LEU 46 -4.563 -2.341 -25.752
334 HG LEU 46 HG LEU 46 -4.574 -3.595 -22.967
335 HD11 LEU 46 HD11 LEU 46 -4.424 -5.235 -24.809
336 HD12 LEU 46 HD12 LEU 46 -3.065 -4.322 -25.508
337 HD13 LEU 46 HD13 LEU 46 -2.885 -5.110 -23.921
338 HD21 LEU 46 HD21 LEU 46 -2.414 -2.107 -24.521
339 HD22 LEU 46 HD22 LEU 46 -3.216 -1.541 -23.037
340 HD23 LEU 46 HD23 LEU 46 -2.161 -2.965 -22.985
341 H VAL 47 H VAL 47 -5.156 0.223 -26.140
342 HA VAL 47 HA VAL 47 -7.781 1.302 -26.507
343 HB VAL 47 HB VAL 47 -5.454 1.346 -28.455
344 HG11 VAL 47 HG11 VAL 47 -7.745 3.296 -27.971
345 HG12 VAL 47 HG12 VAL 47 -6.438 3.490 -29.159
346 HG13 VAL 47 HG13 VAL 47 -7.618 2.183 -29.351
347 HG21 VAL 47 HG21 VAL 47 -6.071 3.184 -26.106
348 HG22 VAL 47 HG22 VAL 47 -4.667 2.095 -26.248
349 HG23 VAL 47 HG23 VAL 47 -4.828 3.482 -27.341
350 HA PRO 48 HA PRO 48 -9.445 -2.031 -28.899
351 HB2 PRO 48 HB2 PRO 48 -11.727 -0.825 -29.836
352 HB3 PRO 48 HB3 PRO 48 -11.511 -1.317 -28.125
353 HG2 PRO 48 HG2 PRO 48 -11.140 1.426 -29.354
354 HG3 PRO 48 HG3 PRO 48 -11.978 0.986 -27.827
355 HD2 PRO 48 HD2 PRO 48 -9.399 1.923 -27.892
356 HD3 PRO 48 HD3 PRO 48 -9.952 0.728 -26.680
357 H ARG 49 H ARG 49 -8.098 0.794 -30.191
358 HA ARG 49 HA ARG 49 -8.951 0.638 -32.913
359 HB2 ARG 49 HB2 ARG 49 -7.946 2.660 -31.996
360 HB3 ARG 49 HB3 ARG 49 -6.456 1.793 -31.598
361 HG2 ARG 49 HG2 ARG 49 -6.186 3.126 -33.652
362 HG3 ARG 49 HG3 ARG 49 -6.018 1.395 -33.993
363 HD2 ARG 49 HD2 ARG 49 -8.393 1.336 -34.757
364 HD3 ARG 49 HD3 ARG 49 -8.525 3.072 -34.440
365 HE ARG 49 HE ARG 49 -7.310 3.521 -36.374
366 HH11 ARG 49 HH11 ARG 49 -7.128 0.068 -35.613
367 HH12 ARG 49 HH12 ARG 49 -6.441 -0.353 -37.162
368 HH21 ARG 49 HH21 ARG 49 -6.392 2.936 -38.375
369 HH22 ARG 49 HH22 ARG 49 -6.012 1.262 -38.721
Start of MODEL 10
1 H1 MET 1 H1 MET 1 2.586 -0.913 -0.373
2 H2 MET 1 H2 MET 1 3.978 -0.181 0.100
3 H3 MET 1 H3 MET 1 3.821 -1.812 0.245
4 HA MET 1 HA MET 1 3.757 -2.112 -2.094
5 HB2 MET 1 HB2 MET 1 4.044 -0.217 -3.615
6 HB3 MET 1 HB3 MET 1 2.600 -0.002 -2.610
7 HG2 MET 1 HG2 MET 1 4.057 1.381 -1.035
8 HG3 MET 1 HG3 MET 1 5.302 1.351 -2.291
9 HE1 MET 1 HE1 MET 1 5.067 2.510 -4.659
10 HE2 MET 1 HE2 MET 1 3.602 1.545 -4.964
11 HE3 MET 1 HE3 MET 1 3.575 3.302 -5.222
12 H ILE 2 H ILE 2 5.757 -1.961 -3.542
13 HA ILE 2 HA ILE 2 8.175 -1.292 -1.973
14 HB ILE 2 HB ILE 2 7.315 -3.773 -1.790
15 HG12 ILE 2 HG12 ILE 2 10.223 -3.293 -2.517
16 HG13 ILE 2 HG13 ILE 2 9.485 -2.708 -1.006
17 HG21 ILE 2 HG21 ILE 2 8.917 -3.921 -4.380
18 HG22 ILE 2 HG22 ILE 2 8.185 -5.273 -3.493
19 HG23 ILE 2 HG23 ILE 2 7.142 -4.075 -4.289
20 HD11 ILE 2 HD11 ILE 2 9.594 -5.620 -1.892
21 HD12 ILE 2 HD12 ILE 2 10.595 -4.868 -0.628
22 HD13 ILE 2 HD13 ILE 2 8.837 -5.008 -0.401
23 H LEU 3 H LEU 3 9.989 -0.780 -3.232
24 HA LEU 3 HA LEU 3 9.590 -0.758 -6.178
25 HB2 LEU 3 HB2 LEU 3 10.687 1.562 -4.545
26 HB3 LEU 3 HB3 LEU 3 10.481 1.488 -6.303
27 HG LEU 3 HG LEU 3 7.923 0.962 -5.588
28 HD11 LEU 3 HD11 LEU 3 7.304 2.410 -3.676
29 HD12 LEU 3 HD12 LEU 3 8.389 1.112 -3.136
30 HD13 LEU 3 HD13 LEU 3 9.018 2.759 -3.373
31 HD21 LEU 3 HD21 LEU 3 7.478 3.355 -5.910
32 HD22 LEU 3 HD22 LEU 3 9.199 3.722 -5.635
33 HD23 LEU 3 HD23 LEU 3 8.705 2.778 -7.061
34 H THR 4 H THR 4 11.498 -0.919 -7.408
35 HA THR 4 HA THR 4 13.822 -1.898 -5.884
36 HB THR 4 HB THR 4 13.608 -2.002 -8.878
37 HG1 THR 4 HG1 THR 4 12.567 -3.976 -8.602
38 HG21 THR 4 HG21 THR 4 14.886 -3.811 -6.788
39 HG22 THR 4 HG22 THR 4 14.983 -4.011 -8.552
40 HG23 THR 4 HG23 THR 4 15.753 -2.610 -7.778
41 H CYS 5 H CYS 5 15.806 -0.978 -5.806
42 HA CYS 5 HA CYS 5 16.000 1.801 -6.614
43 HB2 CYS 5 HB2 CYS 5 16.927 1.000 -4.499
44 HB3 CYS 5 HB3 CYS 5 18.018 -0.096 -5.383
45 HA PRO 6 HA PRO 6 17.897 0.947 -10.593
46 HB2 PRO 6 HB2 PRO 6 18.943 3.729 -10.343
47 HB3 PRO 6 HB3 PRO 6 17.935 3.022 -11.639
48 HG2 PRO 6 HG2 PRO 6 16.905 4.772 -9.800
49 HG3 PRO 6 HG3 PRO 6 15.951 3.383 -10.427
50 HD2 PRO 6 HD2 PRO 6 17.414 3.616 -7.807
51 HD3 PRO 6 HD3 PRO 6 15.803 2.919 -8.168
52 H GLU 7 H GLU 7 19.497 1.943 -7.658
53 HA GLU 7 HA GLU 7 22.175 1.486 -8.908
54 HB2 GLU 7 HB2 GLU 7 21.415 3.032 -6.401
55 HB3 GLU 7 HB3 GLU 7 23.056 2.853 -7.051
56 HG2 GLU 7 HG2 GLU 7 20.714 4.143 -8.525
57 HG3 GLU 7 HG3 GLU 7 21.966 5.028 -7.643
58 H CYS 8 H CYS 8 20.181 0.766 -5.987
59 HA CYS 8 HA CYS 8 22.234 -1.069 -4.982
60 HB2 CYS 8 HB2 CYS 8 19.361 -0.611 -4.058
61 HB3 CYS 8 HB3 CYS 8 20.592 -1.559 -3.213
62 H ALA 9 H ALA 9 19.666 -1.206 -7.255
63 HA ALA 9 HA ALA 9 18.575 -2.882 -8.331
64 HB1 ALA 9 HB1 ALA 9 21.143 -4.410 -7.753
65 HB2 ALA 9 HB2 ALA 9 19.937 -4.798 -9.005
66 HB3 ALA 9 HB3 ALA 9 20.883 -3.288 -9.104
67 H SER 10 H SER 10 17.933 -2.583 -5.596
68 HA SER 10 HA SER 10 17.084 -5.339 -4.903
69 HB2 SER 10 HB2 SER 10 19.215 -4.789 -3.706
70 HB3 SER 10 HB3 SER 10 18.406 -3.395 -2.969
71 HG SER 10 HG SER 10 18.335 -5.275 -1.643
72 H ARG 11 H ARG 11 15.322 -5.313 -3.281
73 HA ARG 11 HA ARG 11 13.444 -3.182 -4.013
74 HB2 ARG 11 HB2 ARG 11 13.123 -5.780 -2.472
75 HB3 ARG 11 HB3 ARG 11 11.803 -4.649 -2.839
76 HG2 ARG 11 HG2 ARG 11 12.363 -4.873 -5.283
77 HG3 ARG 11 HG3 ARG 11 13.538 -6.134 -4.857
78 HD2 ARG 11 HD2 ARG 11 10.556 -6.188 -4.214
79 HD3 ARG 11 HD3 ARG 11 11.329 -7.073 -5.541
80 HE ARG 11 HE ARG 11 11.419 -7.727 -2.676
81 HH11 ARG 11 HH11 ARG 11 12.819 -8.279 -5.874
82 HH12 ARG 11 HH12 ARG 11 13.509 -9.825 -5.436
83 HH21 ARG 11 HH21 ARG 11 12.320 -9.743 -2.129
84 HH22 ARG 11 HH22 ARG 11 13.211 -10.659 -3.318
85 H TYR 12 H TYR 12 12.256 -1.933 -2.588
86 HA TYR 12 HA TYR 12 12.860 -2.013 0.265
87 HB2 TYR 12 HB2 TYR 12 14.611 -0.570 -0.279
88 HB3 TYR 12 HB3 TYR 12 13.652 0.289 -1.488
89 HD1 TYR 12 HD1 TYR 12 14.156 -0.183 2.155
90 HD2 TYR 12 HD2 TYR 12 12.208 2.103 -0.922
91 HE1 TYR 12 HE1 TYR 12 13.533 1.536 3.837
92 HE2 TYR 12 HE2 TYR 12 11.593 3.837 0.748
93 HH TYR 12 HH TYR 12 12.427 3.514 4.213
94 H PHE 13 H PHE 13 11.234 -1.264 1.588
95 HA PHE 13 HA PHE 13 8.750 -0.843 0.046
96 HB2 PHE 13 HB2 PHE 13 7.647 -1.809 2.145
97 HB3 PHE 13 HB3 PHE 13 8.502 -2.866 1.027
98 HD1 PHE 13 HD1 PHE 13 8.697 -1.225 4.345
99 HD2 PHE 13 HD2 PHE 13 10.489 -4.060 1.655
100 HE1 PHE 13 HE1 PHE 13 10.120 -2.076 6.189
101 HE2 PHE 13 HE2 PHE 13 11.933 -4.894 3.493
102 HZ PHE 13 HZ PHE 13 11.739 -3.912 5.765
103 H VAL 14 H VAL 14 7.064 0.418 0.630
104 HA VAL 14 HA VAL 14 7.421 2.347 2.821
105 HB VAL 14 HB VAL 14 6.939 4.253 1.380
106 HG11 VAL 14 HG11 VAL 14 9.320 3.633 1.741
107 HG12 VAL 14 HG12 VAL 14 9.276 2.670 0.241
108 HG13 VAL 14 HG13 VAL 14 9.051 4.429 0.171
109 HG21 VAL 14 HG21 VAL 14 5.637 3.116 -0.375
110 HG22 VAL 14 HG22 VAL 14 6.980 4.042 -1.085
111 HG23 VAL 14 HG23 VAL 14 7.103 2.275 -0.930
112 H ASP 15 H ASP 15 5.357 3.561 3.218
113 HA ASP 15 HA ASP 15 3.110 1.800 3.122
114 HB2 ASP 15 HB2 ASP 15 3.334 4.748 3.815
115 HB3 ASP 15 HB3 ASP 15 1.863 3.782 4.007
116 H ASP 16 H ASP 16 1.072 2.064 2.050
117 HA ASP 16 HA ASP 16 1.393 2.668 -0.726
118 HB2 ASP 16 HB2 ASP 16 -1.064 2.080 0.954
119 HB3 ASP 16 HB3 ASP 16 -1.077 2.236 -0.813
120 H SER 17 H SER 17 0.776 4.758 1.906
121 HA SER 17 HA SER 17 -0.846 6.664 0.388
122 HB2 SER 17 HB2 SER 17 -1.146 6.330 2.815
123 HB3 SER 17 HB3 SER 17 0.526 6.864 3.099
124 HG SER 17 HG SER 17 -0.032 8.879 2.242
125 H LYS 18 H LYS 18 2.480 5.864 0.531
126 HA LYS 18 HA LYS 18 3.503 8.582 0.320
127 HB2 LYS 18 HB2 LYS 18 4.843 5.892 -0.183
128 HB3 LYS 18 HB3 LYS 18 5.665 7.453 -0.043
129 HG2 LYS 18 HG2 LYS 18 4.028 6.104 2.152
130 HG3 LYS 18 HG3 LYS 18 5.796 6.174 2.062
131 HD2 LYS 18 HD2 LYS 18 5.667 8.680 2.151
132 HD3 LYS 18 HD3 LYS 18 3.905 8.548 2.358
133 HE2 LYS 18 HE2 LYS 18 4.240 7.203 4.402
134 HE3 LYS 18 HE3 LYS 18 6.000 7.332 4.203
135 HZ1 LYS 18 HZ1 LYS 18 5.779 9.712 4.416
136 HZ2 LYS 18 HZ2 LYS 18 4.151 9.577 4.624
137 HZ3 LYS 18 HZ3 LYS 18 5.175 8.951 5.746
138 H VAL 19 H VAL 19 1.909 6.527 -1.854
139 HA VAL 19 HA VAL 19 2.913 8.124 -4.129
140 HB VAL 19 HB VAL 19 2.696 5.102 -4.230
141 HG11 VAL 19 HG11 VAL 19 3.822 5.416 -6.425
142 HG12 VAL 19 HG12 VAL 19 2.237 6.219 -6.381
143 HG13 VAL 19 HG13 VAL 19 3.724 7.179 -6.214
144 HG21 VAL 19 HG21 VAL 19 4.652 5.703 -2.887
145 HG22 VAL 19 HG22 VAL 19 5.177 5.160 -4.489
146 HG23 VAL 19 HG23 VAL 19 5.157 6.899 -4.111
147 H GLY 20 H GLY 20 1.384 8.560 -5.691
148 HA2 GLY 20 HA2 GLY 20 -1.301 7.293 -5.342
149 HA3 GLY 20 HA3 GLY 20 -1.110 9.031 -5.602
150 HA PRO 21 HA PRO 21 -1.457 6.754 -9.685
151 HB2 PRO 21 HB2 PRO 21 -3.804 7.892 -10.558
152 HB3 PRO 21 HB3 PRO 21 -3.744 6.415 -9.542
153 HG2 PRO 21 HG2 PRO 21 -4.272 9.266 -8.693
154 HG3 PRO 21 HG3 PRO 21 -5.088 7.763 -8.150
155 HD2 PRO 21 HD2 PRO 21 -3.088 9.023 -6.720
156 HD3 PRO 21 HD3 PRO 21 -3.357 7.255 -6.662
157 H ASP 22 H ASP 22 -1.688 10.082 -8.536
158 HA ASP 22 HA ASP 22 -1.052 11.272 -11.104
159 HB2 ASP 22 HB2 ASP 22 -1.080 12.340 -8.259
160 HB3 ASP 22 HB3 ASP 22 -0.741 13.318 -9.691
161 H GLY 23 H GLY 23 0.706 9.412 -8.953
162 HA2 GLY 23 HA2 GLY 23 2.941 8.850 -9.022
163 HA3 GLY 23 HA3 GLY 23 3.263 10.184 -10.141
164 H ARG 24 H ARG 24 4.855 9.418 -7.874
165 HA ARG 24 HA ARG 24 5.120 12.017 -6.593
166 HB2 ARG 24 HB2 ARG 24 3.364 10.875 -5.188
167 HB3 ARG 24 HB3 ARG 24 4.504 9.544 -4.920
168 HG2 ARG 24 HG2 ARG 24 4.498 11.067 -3.006
169 HG3 ARG 24 HG3 ARG 24 6.077 11.098 -3.806
170 HD2 ARG 24 HD2 ARG 24 5.461 13.185 -4.974
171 HD3 ARG 24 HD3 ARG 24 3.847 13.131 -4.247
172 HE ARG 24 HE ARG 24 6.405 13.792 -2.895
173 HH11 ARG 24 HH11 ARG 24 2.915 13.277 -2.662
174 HH12 ARG 24 HH12 ARG 24 2.780 14.088 -1.118
175 HH21 ARG 24 HH21 ARG 24 6.202 14.834 -0.879
176 HH22 ARG 24 HH22 ARG 24 4.636 14.967 -0.115
177 H VAL 25 H VAL 25 7.218 12.289 -5.748
178 HA VAL 25 HA VAL 25 9.148 10.364 -6.760
179 HB VAL 25 HB VAL 25 9.407 12.851 -6.917
180 HG11 VAL 25 HG11 VAL 25 10.253 14.057 -4.962
181 HG12 VAL 25 HG12 VAL 25 8.639 13.386 -4.607
182 HG13 VAL 25 HG13 VAL 25 10.099 12.598 -3.962
183 HG21 VAL 25 HG21 VAL 25 11.637 11.375 -5.464
184 HG22 VAL 25 HG22 VAL 25 11.308 11.306 -7.215
185 HG23 VAL 25 HG23 VAL 25 11.812 12.834 -6.458
186 H VAL 26 H VAL 26 10.714 9.218 -5.587
187 HA VAL 26 HA VAL 26 10.270 9.004 -2.658
188 HB VAL 26 HB VAL 26 10.302 6.632 -2.695
189 HG11 VAL 26 HG11 VAL 26 8.506 7.527 -4.994
190 HG12 VAL 26 HG12 VAL 26 8.302 6.076 -3.992
191 HG13 VAL 26 HG13 VAL 26 8.115 7.682 -3.262
192 HG21 VAL 26 HG21 VAL 26 11.973 6.289 -4.480
193 HG22 VAL 26 HG22 VAL 26 10.522 5.322 -4.779
194 HG23 VAL 26 HG23 VAL 26 10.790 6.821 -5.699
195 H ARG 27 H ARG 27 12.132 7.648 -1.635
196 HA ARG 27 HA ARG 27 14.682 8.248 -3.025
197 HB2 ARG 27 HB2 ARG 27 15.602 9.330 -1.047
198 HB3 ARG 27 HB3 ARG 27 14.138 10.163 -1.577
199 HG2 ARG 27 HG2 ARG 27 13.723 10.060 0.688
200 HG3 ARG 27 HG3 ARG 27 12.961 8.540 0.192
201 HD2 ARG 27 HD2 ARG 27 15.108 7.343 0.755
202 HD3 ARG 27 HD3 ARG 27 15.783 8.888 1.291
203 HE ARG 27 HE ARG 27 14.420 8.843 3.202
204 HH11 ARG 27 HH11 ARG 27 13.668 6.145 1.038
205 HH12 ARG 27 HH12 ARG 27 12.803 5.254 2.269
206 HH21 ARG 27 HH21 ARG 27 13.241 7.666 4.773
207 HH22 ARG 27 HH22 ARG 27 12.546 6.117 4.363
208 H CYS 28 H CYS 28 16.430 6.959 -2.432
209 HA CYS 28 HA CYS 28 15.698 4.325 -1.424
210 HB2 CYS 28 HB2 CYS 28 17.185 4.753 -3.401
211 HB3 CYS 28 HB3 CYS 28 18.390 5.453 -2.304
212 H ALA 29 H ALA 29 16.185 3.463 0.537
213 HA ALA 29 HA ALA 29 17.281 5.204 2.611
214 HB1 ALA 29 HB1 ALA 29 16.423 2.286 2.654
215 HB2 ALA 29 HB2 ALA 29 16.794 3.290 4.077
216 HB3 ALA 29 HB3 ALA 29 15.397 3.687 3.057
217 H SER 30 H SER 30 18.672 3.231 0.203
218 HA SER 30 HA SER 30 20.884 2.388 2.001
219 HB2 SER 30 HB2 SER 30 19.787 1.204 -0.573
220 HB3 SER 30 HB3 SER 30 21.299 0.672 0.186
221 HG SER 30 HG SER 30 20.146 0.103 2.018
222 H CYS 31 H CYS 31 20.169 4.451 -0.746
223 HA CYS 31 HA CYS 31 23.028 5.156 -0.759
224 HB2 CYS 31 HB2 CYS 31 23.349 4.925 -3.110
225 HB3 CYS 31 HB3 CYS 31 22.740 3.373 -2.485
226 H GLY 32 H GLY 32 19.794 6.134 -0.797
227 HA2 GLY 32 HA2 GLY 32 19.033 8.296 -0.537
228 HA3 GLY 32 HA3 GLY 32 20.665 8.901 -0.864
229 H ASN 33 H ASN 33 19.867 6.780 -3.351
230 HA ASN 33 HA ASN 33 19.599 8.786 -5.345
231 HB2 ASN 33 HB2 ASN 33 20.359 6.393 -5.638
232 HB3 ASN 33 HB3 ASN 33 18.681 5.882 -5.425
233 HD21 ASN 33 HD22 ASN 33 18.569 4.985 -7.527
234 HD22 ASN 33 HD21 ASN 33 18.480 5.998 -8.955
235 H ARG 34 H ARG 34 17.724 9.341 -6.645
236 HA ARG 34 HA ARG 34 15.106 8.830 -5.333
237 HB2 ARG 34 HB2 ARG 34 16.155 11.554 -6.185
238 HB3 ARG 34 HB3 ARG 34 14.517 11.212 -5.597
239 HG2 ARG 34 HG2 ARG 34 15.502 10.382 -3.446
240 HG3 ARG 34 HG3 ARG 34 17.116 10.851 -4.038
241 HD2 ARG 34 HD2 ARG 34 16.366 13.189 -4.251
242 HD3 ARG 34 HD3 ARG 34 14.750 12.739 -3.695
243 HE ARG 34 HE ARG 34 17.241 12.554 -2.037
244 HH11 ARG 34 HH11 ARG 34 13.747 13.055 -2.318
245 HH12 ARG 34 HH12 ARG 34 13.543 13.396 -0.618
246 HH21 ARG 34 HH21 ARG 34 16.940 13.009 0.168
247 HH22 ARG 34 HH22 ARG 34 15.348 13.373 0.788
248 H TRP 35 H TRP 35 13.329 8.831 -6.685
249 HA TRP 35 HA TRP 35 13.520 9.591 -9.486
250 HB2 TRP 35 HB2 TRP 35 13.109 7.373 -10.392
251 HB3 TRP 35 HB3 TRP 35 14.646 7.394 -9.533
252 HD1 TRP 35 HD1 TRP 35 11.172 5.884 -9.423
253 HE1 TRP 35 HE1 TRP 35 11.048 4.010 -7.706
254 HE3 TRP 35 HE3 TRP 35 15.739 6.529 -7.224
255 HZ2 TRP 35 HZ2 TRP 35 12.734 2.903 -5.623
256 HZ3 TRP 35 HZ3 TRP 35 16.446 5.049 -5.368
257 HH2 TRP 35 HH2 TRP 35 14.959 3.244 -4.562
258 H THR 36 H THR 36 11.399 9.393 -10.544
259 HA THR 36 HA THR 36 9.254 9.756 -8.651
260 HB THR 36 HB THR 36 8.790 9.560 -11.600
261 HG1 THR 36 HG1 THR 36 9.492 11.712 -11.729
262 HG21 THR 36 HG21 THR 36 7.740 11.354 -9.369
263 HG22 THR 36 HG22 THR 36 7.213 11.392 -11.066
264 HG23 THR 36 HG23 THR 36 6.887 9.957 -10.074
265 H ALA 37 H ALA 37 7.526 8.510 -8.151
266 HA ALA 37 HA ALA 37 7.437 5.773 -9.339
267 HB1 ALA 37 HB1 ALA 37 6.793 6.649 -6.493
268 HB2 ALA 37 HB2 ALA 37 6.681 4.997 -7.137
269 HB3 ALA 37 HB3 ALA 37 8.266 5.784 -6.995
270 H PHE 38 H PHE 38 5.224 4.787 -9.206
271 HA PHE 38 HA PHE 38 3.019 6.653 -8.875
272 HB2 PHE 38 HB2 PHE 38 2.108 6.027 -11.184
273 HB3 PHE 38 HB3 PHE 38 3.340 7.282 -11.038
274 HD1 PHE 38 HD2 PHE 38 2.712 3.798 -12.134
275 HD2 PHE 38 HD1 PHE 38 5.567 7.011 -11.925
276 HE1 PHE 38 HE2 PHE 38 4.165 2.612 -13.759
277 HE2 PHE 38 HE1 PHE 38 7.018 5.823 -13.547
278 HZ PHE 38 HZ PHE 38 6.316 3.624 -14.464
279 H LYS 39 H LYS 39 1.012 5.787 -8.550
280 HA LYS 39 HA LYS 39 1.061 3.011 -7.642
281 HB2 LYS 39 HB2 LYS 39 -0.007 4.724 -6.301
282 HB3 LYS 39 HB3 LYS 39 -1.094 5.158 -7.636
283 HG2 LYS 39 HG2 LYS 39 -2.246 3.055 -7.520
284 HG3 LYS 39 HG3 LYS 39 -1.012 2.357 -6.451
285 HD2 LYS 39 HD2 LYS 39 -2.786 4.715 -5.701
286 HD3 LYS 39 HD3 LYS 39 -3.120 3.027 -5.263
287 HE2 LYS 39 HE2 LYS 39 -0.918 2.900 -4.119
288 HE3 LYS 39 HE3 LYS 39 -0.620 4.600 -4.511
289 HZ1 LYS 39 HZ1 LYS 39 -2.575 5.168 -3.240
290 HZ2 LYS 39 HZ2 LYS 39 -2.805 3.589 -2.828
291 HZ3 LYS 39 HZ3 LYS 39 -1.459 4.387 -2.316
292 H ASP 40 H ASP 40 -0.496 1.408 -8.286
293 HA ASP 40 HA ASP 40 -1.787 1.797 -10.919
294 HB2 ASP 40 HB2 ASP 40 0.557 0.955 -11.290
295 HB3 ASP 40 HB3 ASP 40 0.159 -0.471 -10.316
296 H GLU 41 H GLU 41 -1.812 0.704 -7.726
297 HA GLU 41 HA GLU 41 -3.523 -1.623 -8.056
298 HB2 GLU 41 HB2 GLU 41 -2.867 0.184 -5.692
299 HB3 GLU 41 HB3 GLU 41 -3.838 -1.282 -5.565
300 HG2 GLU 41 HG2 GLU 41 -0.960 -1.161 -6.592
301 HG3 GLU 41 HG3 GLU 41 -1.432 -1.623 -4.951
302 H ALA 42 H ALA 42 -4.011 1.832 -8.081
303 HA ALA 42 HA ALA 42 -6.885 1.500 -8.382
304 HB1 ALA 42 HB1 ALA 42 -6.627 1.392 -5.923
305 HB2 ALA 42 HB2 ALA 42 -5.766 2.946 -5.942
306 HB3 ALA 42 HB3 ALA 42 -7.475 2.877 -6.424
307 H GLU 43 H GLU 43 -7.939 3.555 -8.922
308 HA GLU 43 HA GLU 43 -6.276 5.907 -9.386
309 HB2 GLU 43 HB2 GLU 43 -5.742 4.457 -11.333
310 HB3 GLU 43 HB3 GLU 43 -7.468 4.361 -11.729
311 HG2 GLU 43 HG2 GLU 43 -7.551 6.790 -12.094
312 HG3 GLU 43 HG3 GLU 43 -5.867 6.946 -11.575
313 H LEU 44 H LEU 44 -7.559 7.780 -9.876
314 HA LEU 44 HA LEU 44 -10.188 7.701 -8.704
315 HB2 LEU 44 HB2 LEU 44 -8.520 9.803 -10.123
316 HB3 LEU 44 HB3 LEU 44 -10.206 10.110 -9.684
317 HG LEU 44 HG LEU 44 -9.654 9.523 -7.302
318 HD11 LEU 44 HD11 LEU 44 -7.625 8.194 -7.581
319 HD12 LEU 44 HD12 LEU 44 -6.801 9.563 -8.378
320 HD13 LEU 44 HD13 LEU 44 -7.233 9.655 -6.658
321 HD21 LEU 44 HD21 LEU 44 -9.775 11.850 -8.082
322 HD22 LEU 44 HD22 LEU 44 -8.501 11.672 -6.859
323 HD23 LEU 44 HD23 LEU 44 -8.069 11.784 -8.586
324 H GLU 45 H GLU 45 -12.195 8.321 -9.733
325 HA GLU 45 HA GLU 45 -12.606 7.005 -12.277
326 HB2 GLU 45 HB2 GLU 45 -14.416 8.773 -10.593
327 HB3 GLU 45 HB3 GLU 45 -14.941 7.819 -11.987
328 HG2 GLU 45 HG2 GLU 45 -13.665 6.670 -9.462
329 HG3 GLU 45 HG3 GLU 45 -15.399 6.706 -9.793
330 H LEU 46 H LEU 46 -13.450 7.972 -14.198
331 HA LEU 46 HA LEU 46 -13.277 9.390 -15.961
332 HB2 LEU 46 HB2 LEU 46 -13.571 11.589 -13.884
333 HB3 LEU 46 HB3 LEU 46 -13.931 11.703 -15.611
334 HG LEU 46 HG LEU 46 -15.360 9.868 -13.632
335 HD11 LEU 46 HD11 LEU 46 -16.256 12.424 -15.026
336 HD12 LEU 46 HD12 LEU 46 -17.257 11.407 -13.964
337 HD13 LEU 46 HD13 LEU 46 -15.856 12.268 -13.294
338 HD21 LEU 46 HD21 LEU 46 -15.332 8.933 -15.919
339 HD22 LEU 46 HD22 LEU 46 -16.949 9.531 -15.515
340 HD23 LEU 46 HD23 LEU 46 -15.887 10.494 -16.572
341 H VAL 47 H VAL 47 -12.114 11.636 -16.683
342 HA VAL 47 HA VAL 47 -9.320 11.017 -16.573
343 HB VAL 47 HB VAL 47 -10.661 13.554 -17.573
344 HG11 VAL 47 HG11 VAL 47 -8.031 12.205 -18.324
345 HG12 VAL 47 HG12 VAL 47 -8.694 13.686 -19.049
346 HG13 VAL 47 HG13 VAL 47 -8.187 13.688 -17.348
347 HG21 VAL 47 HG21 VAL 47 -11.688 11.576 -18.625
348 HG22 VAL 47 HG22 VAL 47 -10.642 12.421 -19.784
349 HG23 VAL 47 HG23 VAL 47 -10.075 10.924 -19.002
350 HA PRO 48 HA PRO 48 -8.465 13.148 -12.783
351 HB2 PRO 48 HB2 PRO 48 -5.727 13.095 -12.834
352 HB3 PRO 48 HB3 PRO 48 -6.733 11.636 -12.536
353 HG2 PRO 48 HG2 PRO 48 -5.430 12.526 -15.116
354 HG3 PRO 48 HG3 PRO 48 -5.479 10.883 -14.394
355 HD2 PRO 48 HD2 PRO 48 -7.205 11.701 -16.375
356 HD3 PRO 48 HD3 PRO 48 -7.682 10.531 -15.106
357 H ARG 49 H ARG 49 -7.651 14.342 -15.918
358 HA ARG 49 HA ARG 49 -6.273 16.753 -15.106
359 HB2 ARG 49 HB2 ARG 49 -7.749 16.046 -17.677
360 HB3 ARG 49 HB3 ARG 49 -6.694 17.453 -17.442
361 HG2 ARG 49 HG2 ARG 49 -4.791 15.926 -16.925
362 HG3 ARG 49 HG3 ARG 49 -5.851 14.527 -17.188
363 HD2 ARG 49 HD2 ARG 49 -4.534 14.951 -19.195
364 HD3 ARG 49 HD3 ARG 49 -6.247 15.273 -19.515
365 HE ARG 49 HE ARG 49 -4.240 17.422 -18.921
366 HH11 ARG 49 HH11 ARG 49 -6.964 16.180 -20.815
367 HH12 ARG 49 HH12 ARG 49 -7.116 17.641 -21.763
368 HH21 ARG 49 HH21 ARG 49 -4.467 19.308 -20.173
369 HH22 ARG 49 HH22 ARG 49 -5.713 19.409 -21.394
Start of MODEL 11
1 H1 MET 1 H1 MET 1 3.351 -0.436 -0.255
2 H2 MET 1 H2 MET 1 3.194 -2.071 -0.239
3 H3 MET 1 H3 MET 1 1.999 -1.141 -0.884
4 HA MET 1 HA MET 1 3.304 -2.216 -2.587
5 HB2 MET 1 HB2 MET 1 3.703 -0.224 -3.952
6 HB3 MET 1 HB3 MET 1 2.178 -0.071 -3.064
7 HG2 MET 1 HG2 MET 1 3.434 1.238 -1.298
8 HG3 MET 1 HG3 MET 1 4.839 1.236 -2.376
9 HE1 MET 1 HE1 MET 1 3.518 1.628 -5.267
10 HE2 MET 1 HE2 MET 1 3.622 3.396 -5.391
11 HE3 MET 1 HE3 MET 1 4.961 2.478 -4.658
12 H ILE 2 H ILE 2 5.427 -1.851 -3.891
13 HA ILE 2 HA ILE 2 7.695 -1.351 -2.058
14 HB ILE 2 HB ILE 2 6.881 -3.853 -2.249
15 HG12 ILE 2 HG12 ILE 2 9.826 -3.319 -2.719
16 HG13 ILE 2 HG13 ILE 2 9.006 -2.834 -1.220
17 HG21 ILE 2 HG21 ILE 2 8.646 -3.641 -4.723
18 HG22 ILE 2 HG22 ILE 2 7.907 -5.113 -4.059
19 HG23 ILE 2 HG23 ILE 2 6.879 -3.854 -4.764
20 HD11 ILE 2 HD11 ILE 2 9.128 -5.668 -2.320
21 HD12 ILE 2 HD12 ILE 2 10.045 -5.034 -0.932
22 HD13 ILE 2 HD13 ILE 2 8.276 -5.164 -0.843
23 H LEU 3 H LEU 3 9.666 -0.851 -3.121
24 HA LEU 3 HA LEU 3 9.442 -0.246 -6.025
25 HB2 LEU 3 HB2 LEU 3 10.475 1.587 -3.824
26 HB3 LEU 3 HB3 LEU 3 10.555 1.932 -5.560
27 HG LEU 3 HG LEU 3 7.941 1.443 -4.060
28 HD11 LEU 3 HD11 LEU 3 9.281 4.056 -4.847
29 HD12 LEU 3 HD12 LEU 3 7.663 3.886 -4.122
30 HD13 LEU 3 HD13 LEU 3 9.103 3.441 -3.184
31 HD21 LEU 3 HD21 LEU 3 6.961 2.560 -6.050
32 HD22 LEU 3 HD22 LEU 3 8.583 2.675 -6.777
33 HD23 LEU 3 HD23 LEU 3 7.837 1.085 -6.512
34 H THR 4 H THR 4 11.423 -0.254 -7.168
35 HA THR 4 HA THR 4 13.650 -1.508 -5.667
36 HB THR 4 HB THR 4 13.293 -1.843 -8.627
37 HG1 THR 4 HG1 THR 4 12.156 -3.735 -8.138
38 HG21 THR 4 HG21 THR 4 15.449 -2.493 -7.596
39 HG22 THR 4 HG22 THR 4 14.582 -3.532 -6.443
40 HG23 THR 4 HG23 THR 4 14.558 -3.911 -8.184
41 H CYS 5 H CYS 5 15.636 -0.659 -5.663
42 HA CYS 5 HA CYS 5 16.011 1.979 -6.821
43 HB2 CYS 5 HB2 CYS 5 16.886 1.352 -4.596
44 HB3 CYS 5 HB3 CYS 5 17.889 0.097 -5.352
45 HA PRO 6 HA PRO 6 17.827 0.361 -10.573
46 HB2 PRO 6 HB2 PRO 6 18.781 2.702 -11.625
47 HB3 PRO 6 HB3 PRO 6 17.031 2.308 -11.577
48 HG2 PRO 6 HG2 PRO 6 18.615 4.048 -9.683
49 HG3 PRO 6 HG3 PRO 6 17.011 4.371 -10.421
50 HD2 PRO 6 HD2 PRO 6 17.319 3.370 -7.870
51 HD3 PRO 6 HD3 PRO 6 15.924 2.948 -8.905
52 H GLU 7 H GLU 7 19.493 1.952 -7.952
53 HA GLU 7 HA GLU 7 22.143 1.298 -9.144
54 HB2 GLU 7 HB2 GLU 7 21.417 2.960 -6.699
55 HB3 GLU 7 HB3 GLU 7 23.047 2.753 -7.365
56 HG2 GLU 7 HG2 GLU 7 20.681 4.009 -8.823
57 HG3 GLU 7 HG3 GLU 7 21.985 4.902 -8.023
58 H CYS 8 H CYS 8 20.125 0.719 -6.218
59 HA CYS 8 HA CYS 8 22.165 -1.106 -5.146
60 HB2 CYS 8 HB2 CYS 8 19.358 -0.442 -4.152
61 HB3 CYS 8 HB3 CYS 8 20.574 -1.401 -3.292
62 H ALA 9 H ALA 9 19.381 -1.246 -7.209
63 HA ALA 9 HA ALA 9 18.189 -2.935 -8.132
64 HB1 ALA 9 HB1 ALA 9 20.738 -4.525 -7.657
65 HB2 ALA 9 HB2 ALA 9 19.446 -4.923 -8.815
66 HB3 ALA 9 HB3 ALA 9 20.421 -3.452 -9.048
67 H SER 10 H SER 10 17.716 -2.490 -5.400
68 HA SER 10 HA SER 10 16.939 -5.213 -4.492
69 HB2 SER 10 HB2 SER 10 19.025 -4.438 -3.340
70 HB3 SER 10 HB3 SER 10 18.137 -3.017 -2.759
71 HG SER 10 HG SER 10 17.608 -5.742 -2.172
72 H ARG 11 H ARG 11 15.052 -5.252 -3.155
73 HA ARG 11 HA ARG 11 13.185 -3.116 -3.886
74 HB2 ARG 11 HB2 ARG 11 12.802 -5.777 -2.475
75 HB3 ARG 11 HB3 ARG 11 11.496 -4.662 -2.929
76 HG2 ARG 11 HG2 ARG 11 12.266 -4.807 -5.321
77 HG3 ARG 11 HG3 ARG 11 13.424 -6.062 -4.829
78 HD2 ARG 11 HD2 ARG 11 10.409 -6.182 -4.441
79 HD3 ARG 11 HD3 ARG 11 11.304 -7.013 -5.722
80 HE ARG 11 HE ARG 11 12.581 -7.996 -3.581
81 HH11 ARG 11 HH11 ARG 11 9.119 -7.555 -4.158
82 HH12 ARG 11 HH12 ARG 11 8.656 -8.880 -3.116
83 HH21 ARG 11 HH21 ARG 11 11.945 -9.705 -2.208
84 HH22 ARG 11 HH22 ARG 11 10.251 -10.090 -2.014
85 H TYR 12 H TYR 12 11.853 -1.999 -2.432
86 HA TYR 12 HA TYR 12 12.333 -2.227 0.425
87 HB2 TYR 12 HB2 TYR 12 14.107 -0.749 0.012
88 HB3 TYR 12 HB3 TYR 12 13.167 0.191 -1.143
89 HD1 TYR 12 HD2 TYR 12 13.713 -0.491 2.443
90 HD2 TYR 12 HD1 TYR 12 11.622 1.915 -0.443
91 HE1 TYR 12 HE2 TYR 12 13.082 1.103 4.238
92 HE2 TYR 12 HE1 TYR 12 11.006 3.529 1.341
93 HH TYR 12 HH TYR 12 11.993 3.060 4.753
94 H PHE 13 H PHE 13 10.580 -1.723 1.651
95 HA PHE 13 HA PHE 13 8.210 -1.152 -0.004
96 HB2 PHE 13 HB2 PHE 13 6.975 -2.243 1.956
97 HB3 PHE 13 HB3 PHE 13 7.908 -3.235 0.840
98 HD1 PHE 13 HD1 PHE 13 7.869 -1.788 4.244
99 HD2 PHE 13 HD2 PHE 13 9.871 -4.446 1.524
100 HE1 PHE 13 HE1 PHE 13 9.162 -2.745 6.134
101 HE2 PHE 13 HE2 PHE 13 11.179 -5.392 3.413
102 HZ PHE 13 HZ PHE 13 10.818 -4.551 5.717
103 H VAL 14 H VAL 14 6.478 0.072 0.538
104 HA VAL 14 HA VAL 14 6.704 1.891 2.840
105 HB VAL 14 HB VAL 14 6.353 3.876 1.455
106 HG11 VAL 14 HG11 VAL 14 8.768 2.311 0.443
107 HG12 VAL 14 HG12 VAL 14 8.569 4.075 0.436
108 HG13 VAL 14 HG13 VAL 14 8.692 3.207 1.981
109 HG21 VAL 14 HG21 VAL 14 5.194 2.836 -0.450
110 HG22 VAL 14 HG22 VAL 14 6.589 3.783 -1.000
111 HG23 VAL 14 HG23 VAL 14 6.692 2.006 -0.926
112 H ASP 15 H ASP 15 4.638 3.097 3.182
113 HA ASP 15 HA ASP 15 2.374 1.407 2.761
114 HB2 ASP 15 HB2 ASP 15 2.596 4.285 3.690
115 HB3 ASP 15 HB3 ASP 15 1.095 3.343 3.695
116 H ASP 16 H ASP 16 0.441 1.805 1.545
117 HA ASP 16 HA ASP 16 1.022 2.565 -1.144
118 HB2 ASP 16 HB2 ASP 16 -1.599 2.004 0.285
119 HB3 ASP 16 HB3 ASP 16 -1.458 2.249 -1.460
120 H SER 17 H SER 17 0.228 4.502 1.561
121 HA SER 17 HA SER 17 -1.164 6.583 0.051
122 HB2 SER 17 HB2 SER 17 -1.691 6.114 2.405
123 HB3 SER 17 HB3 SER 17 -0.029 6.536 2.876
124 HG SER 17 HG SER 17 -0.413 8.635 2.101
125 H LYS 18 H LYS 18 2.109 5.627 0.433
126 HA LYS 18 HA LYS 18 3.256 8.299 0.441
127 HB2 LYS 18 HB2 LYS 18 4.509 5.578 -0.116
128 HB3 LYS 18 HB3 LYS 18 5.400 7.079 0.142
129 HG2 LYS 18 HG2 LYS 18 3.577 5.707 2.164
130 HG3 LYS 18 HG3 LYS 18 5.346 5.738 2.197
131 HD2 LYS 18 HD2 LYS 18 3.508 8.149 2.487
132 HD3 LYS 18 HD3 LYS 18 4.450 7.372 3.770
133 HE2 LYS 18 HE2 LYS 18 6.547 7.914 2.553
134 HE3 LYS 18 HE3 LYS 18 5.598 8.733 1.300
135 HZ1 LYS 18 HZ1 LYS 18 4.800 10.245 2.987
136 HZ2 LYS 18 HZ2 LYS 18 5.685 9.488 4.144
137 HZ3 LYS 18 HZ3 LYS 18 6.444 10.275 2.914
138 H VAL 19 H VAL 19 1.761 6.420 -1.964
139 HA VAL 19 HA VAL 19 2.947 8.161 -4.042
140 HB VAL 19 HB VAL 19 2.611 5.165 -4.385
141 HG11 VAL 19 HG11 VAL 19 3.814 7.325 -6.174
142 HG12 VAL 19 HG12 VAL 19 3.806 5.584 -6.523
143 HG13 VAL 19 HG13 VAL 19 2.271 6.474 -6.452
144 HG21 VAL 19 HG21 VAL 19 5.127 6.848 -4.045
145 HG22 VAL 19 HG22 VAL 19 4.526 5.609 -2.916
146 HG23 VAL 19 HG23 VAL 19 5.094 5.134 -4.528
147 H GLY 20 H GLY 20 1.383 9.121 -5.210
148 HA2 GLY 20 HA2 GLY 20 -1.399 8.179 -4.897
149 HA3 GLY 20 HA3 GLY 20 -0.867 9.710 -5.606
150 HA PRO 21 HA PRO 21 -1.996 6.653 -8.969
151 HB2 PRO 21 HB2 PRO 21 -4.042 8.100 -10.099
152 HB3 PRO 21 HB3 PRO 21 -4.286 6.963 -8.731
153 HG2 PRO 21 HG2 PRO 21 -4.003 9.969 -8.658
154 HG3 PRO 21 HG3 PRO 21 -5.156 8.929 -7.749
155 HD2 PRO 21 HD2 PRO 21 -2.812 9.908 -6.664
156 HD3 PRO 21 HD3 PRO 21 -3.521 8.344 -6.168
157 H ASP 22 H ASP 22 -1.226 10.037 -8.627
158 HA ASP 22 HA ASP 22 -0.403 10.264 -11.446
159 HB2 ASP 22 HB2 ASP 22 0.050 12.670 -10.790
160 HB3 ASP 22 HB3 ASP 22 -1.634 12.131 -10.762
161 H GLY 23 H GLY 23 0.921 8.921 -8.802
162 HA2 GLY 23 HA2 GLY 23 3.094 8.202 -8.485
163 HA3 GLY 23 HA3 GLY 23 3.649 9.264 -9.788
164 H ARG 24 H ARG 24 5.086 8.990 -7.421
165 HA ARG 24 HA ARG 24 5.141 11.754 -6.486
166 HB2 ARG 24 HB2 ARG 24 3.454 10.688 -4.986
167 HB3 ARG 24 HB3 ARG 24 4.646 9.446 -4.560
168 HG2 ARG 24 HG2 ARG 24 4.531 11.143 -2.807
169 HG3 ARG 24 HG3 ARG 24 6.122 11.194 -3.583
170 HD2 ARG 24 HD2 ARG 24 5.392 13.126 -4.957
171 HD3 ARG 24 HD3 ARG 24 3.777 13.030 -4.225
172 HE ARG 24 HE ARG 24 6.218 13.521 -2.570
173 HH11 ARG 24 HH11 ARG 24 2.989 14.477 -3.654
174 HH12 ARG 24 HH12 ARG 24 2.855 15.769 -2.482
175 HH21 ARG 24 HH21 ARG 24 6.011 15.204 -1.056
176 HH22 ARG 24 HH22 ARG 24 4.557 16.179 -1.019
177 H VAL 25 H VAL 25 7.177 12.292 -5.591
178 HA VAL 25 HA VAL 25 9.308 10.582 -6.506
179 HB VAL 25 HB VAL 25 9.304 13.088 -6.575
180 HG11 VAL 25 HG11 VAL 25 9.956 12.791 -3.613
181 HG12 VAL 25 HG12 VAL 25 9.994 14.299 -4.550
182 HG13 VAL 25 HG13 VAL 25 8.446 13.465 -4.273
183 HG21 VAL 25 HG21 VAL 25 11.367 11.728 -6.861
184 HG22 VAL 25 HG22 VAL 25 11.687 13.293 -6.079
185 HG23 VAL 25 HG23 VAL 25 11.650 11.804 -5.108
186 H VAL 26 H VAL 26 10.946 9.556 -5.355
187 HA VAL 26 HA VAL 26 10.588 9.236 -2.439
188 HB VAL 26 HB VAL 26 10.700 6.851 -2.524
189 HG11 VAL 26 HG11 VAL 26 8.700 7.753 -4.644
190 HG12 VAL 26 HG12 VAL 26 8.628 6.261 -3.674
191 HG13 VAL 26 HG13 VAL 26 8.444 7.839 -2.884
192 HG21 VAL 26 HG21 VAL 26 10.987 7.135 -5.543
193 HG22 VAL 26 HG22 VAL 26 12.246 6.598 -4.408
194 HG23 VAL 26 HG23 VAL 26 10.803 5.601 -4.656
195 H ARG 27 H ARG 27 12.529 8.017 -1.481
196 HA ARG 27 HA ARG 27 15.003 8.549 -3.035
197 HB2 ARG 27 HB2 ARG 27 14.646 10.533 -1.669
198 HB3 ARG 27 HB3 ARG 27 14.408 9.529 -0.222
199 HG2 ARG 27 HG2 ARG 27 16.727 8.727 -0.365
200 HG3 ARG 27 HG3 ARG 27 16.964 9.633 -1.876
201 HD2 ARG 27 HD2 ARG 27 17.914 10.887 -0.002
202 HD3 ARG 27 HD3 ARG 27 16.533 11.752 -0.679
203 HE ARG 27 HE ARG 27 15.344 11.427 1.294
204 HH11 ARG 27 HH11 ARG 27 18.264 9.426 1.316
205 HH12 ARG 27 HH12 ARG 27 18.111 9.017 3.006
206 HH21 ARG 27 HH21 ARG 27 15.160 10.856 3.498
207 HH22 ARG 27 HH22 ARG 27 16.352 9.817 4.239
208 H CYS 28 H CYS 28 16.686 7.176 -2.653
209 HA CYS 28 HA CYS 28 16.022 4.621 -1.470
210 HB2 CYS 28 HB2 CYS 28 17.383 4.997 -3.554
211 HB3 CYS 28 HB3 CYS 28 18.678 5.665 -2.538
212 H ALA 29 H ALA 29 16.615 3.804 0.482
213 HA ALA 29 HA ALA 29 17.902 5.570 2.424
214 HB1 ALA 29 HB1 ALA 29 16.967 2.675 2.615
215 HB2 ALA 29 HB2 ALA 29 17.450 3.711 3.977
216 HB3 ALA 29 HB3 ALA 29 15.996 4.107 3.031
217 H SER 30 H SER 30 19.056 3.496 -0.021
218 HA SER 30 HA SER 30 21.350 2.599 1.654
219 HB2 SER 30 HB2 SER 30 20.038 1.414 -0.807
220 HB3 SER 30 HB3 SER 30 21.590 0.850 -0.148
221 HG SER 30 HG SER 30 19.787 -0.315 0.681
222 H CYS 31 H CYS 31 20.533 4.654 -1.061
223 HA CYS 31 HA CYS 31 23.405 5.255 -1.272
224 HB2 CYS 31 HB2 CYS 31 23.565 4.968 -3.640
225 HB3 CYS 31 HB3 CYS 31 22.952 3.455 -2.944
226 H GLY 32 H GLY 32 20.229 6.353 -1.079
227 HA2 GLY 32 HA2 GLY 32 19.575 8.543 -0.813
228 HA3 GLY 32 HA3 GLY 32 21.198 9.077 -1.283
229 H ASN 33 H ASN 33 20.082 6.926 -3.649
230 HA ASN 33 HA ASN 33 19.812 8.902 -5.662
231 HB2 ASN 33 HB2 ASN 33 20.392 6.458 -5.932
232 HB3 ASN 33 HB3 ASN 33 18.690 6.073 -5.624
233 HD21 ASN 33 HD22 ASN 33 18.515 5.128 -7.741
234 HD22 ASN 33 HD21 ASN 33 18.415 6.135 -9.169
235 H ARG 34 H ARG 34 17.905 9.532 -6.874
236 HA ARG 34 HA ARG 34 15.352 9.349 -5.355
237 HB2 ARG 34 HB2 ARG 34 16.430 11.396 -4.622
238 HB3 ARG 34 HB3 ARG 34 16.741 11.877 -6.301
239 HG2 ARG 34 HG2 ARG 34 14.294 11.978 -6.728
240 HG3 ARG 34 HG3 ARG 34 13.993 11.527 -5.032
241 HD2 ARG 34 HD2 ARG 34 15.515 13.996 -5.958
242 HD3 ARG 34 HD3 ARG 34 13.825 13.983 -5.445
243 HE ARG 34 HE ARG 34 14.522 13.376 -3.198
244 HH11 ARG 34 HH11 ARG 34 17.109 14.444 -5.367
245 HH12 ARG 34 HH12 ARG 34 18.175 14.891 -4.055
246 HH21 ARG 34 HH21 ARG 34 15.922 13.998 -1.518
247 HH22 ARG 34 HH22 ARG 34 17.510 14.633 -1.884
248 H TRP 35 H TRP 35 13.549 9.183 -6.610
249 HA TRP 35 HA TRP 35 13.511 10.056 -9.381
250 HB2 TRP 35 HB2 TRP 35 13.180 7.877 -10.375
251 HB3 TRP 35 HB3 TRP 35 14.722 7.882 -9.532
252 HD1 TRP 35 HD1 TRP 35 11.302 6.278 -9.527
253 HE1 TRP 35 HE1 TRP 35 11.218 4.308 -7.916
254 HE3 TRP 35 HE3 TRP 35 15.808 6.962 -7.205
255 HZ2 TRP 35 HZ2 TRP 35 12.881 3.184 -5.824
256 HZ3 TRP 35 HZ3 TRP 35 16.515 5.433 -5.395
257 HH2 TRP 35 HH2 TRP 35 15.068 3.547 -4.696
258 H THR 36 H THR 36 11.325 9.659 -10.349
259 HA THR 36 HA THR 36 9.263 9.892 -8.321
260 HB THR 36 HB THR 36 8.822 9.737 -11.297
261 HG1 THR 36 HG1 THR 36 9.149 11.978 -11.269
262 HG21 THR 36 HG21 THR 36 6.929 11.234 -10.725
263 HG22 THR 36 HG22 THR 36 6.829 9.685 -9.858
264 HG23 THR 36 HG23 THR 36 7.384 11.150 -9.007
265 H ALA 37 H ALA 37 8.183 8.284 -7.403
266 HA ALA 37 HA ALA 37 8.151 5.621 -8.645
267 HB1 ALA 37 HB1 ALA 37 6.999 6.657 -6.025
268 HB2 ALA 37 HB2 ALA 37 7.097 4.950 -6.523
269 HB3 ALA 37 HB3 ALA 37 8.583 5.878 -6.224
270 H PHE 38 H PHE 38 6.075 4.438 -8.855
271 HA PHE 38 HA PHE 38 3.763 6.193 -9.336
272 HB2 PHE 38 HB2 PHE 38 5.153 4.503 -11.382
273 HB3 PHE 38 HB3 PHE 38 3.430 4.839 -11.505
274 HD1 PHE 38 HD2 PHE 38 2.593 7.101 -11.896
275 HD2 PHE 38 HD1 PHE 38 6.809 6.291 -11.689
276 HE1 PHE 38 HE2 PHE 38 3.074 9.322 -12.914
277 HE2 PHE 38 HE1 PHE 38 7.288 8.503 -12.706
278 HZ PHE 38 HZ PHE 38 5.417 10.019 -13.317
279 H LYS 39 H LYS 39 1.796 4.849 -10.088
280 HA LYS 39 HA LYS 39 1.597 2.434 -8.358
281 HB2 LYS 39 HB2 LYS 39 0.749 4.271 -7.068
282 HB3 LYS 39 HB3 LYS 39 -0.230 4.858 -8.424
283 HG2 LYS 39 HG2 LYS 39 -1.670 2.923 -8.343
284 HG3 LYS 39 HG3 LYS 39 -0.611 2.107 -7.175
285 HD2 LYS 39 HD2 LYS 39 -2.079 4.720 -6.634
286 HD3 LYS 39 HD3 LYS 39 -2.655 3.113 -6.146
287 HE2 LYS 39 HE2 LYS 39 -0.503 2.764 -4.908
288 HE3 LYS 39 HE3 LYS 39 -0.055 4.439 -5.287
289 HZ1 LYS 39 HZ1 LYS 39 -2.424 3.612 -3.741
290 HZ2 LYS 39 HZ2 LYS 39 -1.052 4.296 -3.129
291 HZ3 LYS 39 HZ3 LYS 39 -2.025 5.164 -4.118
292 H ASP 40 H ASP 40 -0.101 0.967 -8.945
293 HA ASP 40 HA ASP 40 -1.461 1.406 -11.522
294 HB2 ASP 40 HB2 ASP 40 0.807 0.526 -12.099
295 HB3 ASP 40 HB3 ASP 40 0.506 -0.879 -11.069
296 H GLU 41 H GLU 41 -1.045 -0.190 -8.437
297 HA GLU 41 HA GLU 41 -2.985 -2.284 -8.823
298 HB2 GLU 41 HB2 GLU 41 -1.836 -0.924 -6.354
299 HB3 GLU 41 HB3 GLU 41 -2.901 -2.329 -6.284
300 HG2 GLU 41 HG2 GLU 41 -0.221 -2.241 -7.750
301 HG3 GLU 41 HG3 GLU 41 -0.469 -2.918 -6.132
302 H ALA 42 H ALA 42 -3.245 1.134 -8.284
303 HA ALA 42 HA ALA 42 -6.143 0.960 -8.122
304 HB1 ALA 42 HB1 ALA 42 -4.557 2.081 -5.769
305 HB2 ALA 42 HB2 ALA 42 -6.328 2.097 -5.948
306 HB3 ALA 42 HB3 ALA 42 -5.465 0.555 -5.764
307 H GLU 43 H GLU 43 -4.197 2.040 -9.976
308 HA GLU 43 HA GLU 43 -3.807 4.837 -9.604
309 HB2 GLU 43 HB2 GLU 43 -2.442 3.517 -11.082
310 HB3 GLU 43 HB3 GLU 43 -3.828 3.053 -12.070
311 HG2 GLU 43 HG2 GLU 43 -3.133 5.977 -11.701
312 HG3 GLU 43 HG3 GLU 43 -2.201 4.986 -12.829
313 H LEU 44 H LEU 44 -6.625 3.014 -10.394
314 HA LEU 44 HA LEU 44 -8.009 4.988 -11.958
315 HB2 LEU 44 HB2 LEU 44 -9.062 2.723 -10.212
316 HB3 LEU 44 HB3 LEU 44 -10.000 3.602 -11.433
317 HG LEU 44 HG LEU 44 -7.497 1.960 -12.018
318 HD11 LEU 44 HD11 LEU 44 -10.443 1.345 -12.480
319 HD12 LEU 44 HD12 LEU 44 -9.074 0.335 -12.995
320 HD13 LEU 44 HD13 LEU 44 -9.399 0.576 -11.262
321 HD21 LEU 44 HD21 LEU 44 -7.870 3.779 -13.651
322 HD22 LEU 44 HD22 LEU 44 -8.250 2.207 -14.379
323 HD23 LEU 44 HD23 LEU 44 -9.567 3.271 -13.835
324 H GLU 45 H GLU 45 -6.912 5.253 -8.844
325 HA GLU 45 HA GLU 45 -9.205 6.379 -7.528
326 HB2 GLU 45 HB2 GLU 45 -7.341 5.385 -6.306
327 HB3 GLU 45 HB3 GLU 45 -6.209 6.531 -7.029
328 HG2 GLU 45 HG2 GLU 45 -6.704 7.164 -4.732
329 HG3 GLU 45 HG3 GLU 45 -7.291 8.400 -5.839
330 H LEU 46 H LEU 46 -7.265 7.538 -10.087
331 HA LEU 46 HA LEU 46 -6.993 10.267 -9.393
332 HB2 LEU 46 HB2 LEU 46 -6.291 10.604 -11.554
333 HB3 LEU 46 HB3 LEU 46 -5.923 8.891 -11.324
334 HG LEU 46 HG LEU 46 -8.418 9.977 -12.721
335 HD11 LEU 46 HD11 LEU 46 -5.855 8.789 -13.848
336 HD12 LEU 46 HD12 LEU 46 -7.298 9.239 -14.785
337 HD13 LEU 46 HD13 LEU 46 -6.349 10.492 -13.950
338 HD21 LEU 46 HD21 LEU 46 -8.758 7.720 -11.757
339 HD22 LEU 46 HD22 LEU 46 -8.657 7.645 -13.527
340 HD23 LEU 46 HD23 LEU 46 -7.260 7.160 -12.544
341 H VAL 47 H VAL 47 -8.126 12.134 -10.331
342 HA VAL 47 HA VAL 47 -10.913 12.003 -9.780
343 HB VAL 47 HB VAL 47 -9.320 14.159 -11.213
344 HG11 VAL 47 HG11 VAL 47 -11.945 14.315 -9.667
345 HG12 VAL 47 HG12 VAL 47 -11.075 15.681 -10.402
346 HG13 VAL 47 HG13 VAL 47 -11.782 14.427 -11.437
347 HG21 VAL 47 HG21 VAL 47 -8.332 13.617 -9.029
348 HG22 VAL 47 HG22 VAL 47 -9.160 15.185 -8.950
349 HG23 VAL 47 HG23 VAL 47 -9.927 13.740 -8.256
350 HA PRO 48 HA PRO 48 -12.301 10.581 -13.766
351 HB2 PRO 48 HB2 PRO 48 -14.984 11.134 -13.516
352 HB3 PRO 48 HB3 PRO 48 -14.173 9.760 -12.694
353 HG2 PRO 48 HG2 PRO 48 -14.872 12.485 -11.569
354 HG3 PRO 48 HG3 PRO 48 -15.073 10.870 -10.806
355 HD2 PRO 48 HD2 PRO 48 -12.967 12.518 -10.242
356 HD3 PRO 48 HD3 PRO 48 -12.798 10.738 -10.261
357 H ARG 49 H ARG 49 -13.367 11.398 -15.730
358 HA ARG 49 HA ARG 49 -12.560 14.079 -16.342
359 HB2 ARG 49 HB2 ARG 49 -12.544 12.276 -17.999
360 HB3 ARG 49 HB3 ARG 49 -14.303 12.088 -17.849
361 HG2 ARG 49 HG2 ARG 49 -14.647 14.383 -18.681
362 HG3 ARG 49 HG3 ARG 49 -12.886 14.617 -18.787
363 HD2 ARG 49 HD2 ARG 49 -12.745 12.741 -20.407
364 HD3 ARG 49 HD3 ARG 49 -14.504 12.535 -20.303
365 HE ARG 49 HE ARG 49 -14.835 14.560 -21.486
366 HH11 ARG 49 HH11 ARG 49 -11.402 13.819 -21.036
367 HH12 ARG 49 HH12 ARG 49 -10.882 14.938 -22.273
368 HH21 ARG 49 HH21 ARG 49 -14.122 16.007 -23.092
369 HH22 ARG 49 HH22 ARG 49 -12.414 16.184 -23.424
Start of MODEL 12
1 H1 MET 1 H1 MET 1 2.408 -0.967 -0.498
2 H2 MET 1 H2 MET 1 3.795 -0.259 0.033
3 H3 MET 1 H3 MET 1 3.639 -1.893 0.104
4 HA MET 1 HA MET 1 3.619 -2.105 -2.239
5 HB2 MET 1 HB2 MET 1 3.949 -0.149 -3.675
6 HB3 MET 1 HB3 MET 1 2.463 0.012 -2.718
7 HG2 MET 1 HG2 MET 1 3.822 1.369 -1.048
8 HG3 MET 1 HG3 MET 1 5.139 1.364 -2.224
9 HE1 MET 1 HE1 MET 1 3.605 3.375 -5.223
10 HE2 MET 1 HE2 MET 1 5.034 2.523 -4.592
11 HE3 MET 1 HE3 MET 1 3.562 1.610 -5.005
12 H ILE 2 H ILE 2 5.650 -1.841 -3.658
13 HA ILE 2 HA ILE 2 8.026 -1.225 -2.010
14 HB ILE 2 HB ILE 2 7.199 -3.736 -1.974
15 HG12 ILE 2 HG12 ILE 2 10.110 -3.196 -2.622
16 HG13 ILE 2 HG13 ILE 2 9.348 -2.675 -1.100
17 HG21 ILE 2 HG21 ILE 2 8.855 -3.702 -4.533
18 HG22 ILE 2 HG22 ILE 2 8.136 -5.125 -3.745
19 HG23 ILE 2 HG23 ILE 2 7.088 -3.900 -4.491
20 HD11 ILE 2 HD11 ILE 2 9.475 -5.548 -2.098
21 HD12 ILE 2 HD12 ILE 2 10.454 -4.844 -0.791
22 HD13 ILE 2 HD13 ILE 2 8.690 -4.993 -0.597
23 H LEU 3 H LEU 3 9.886 -0.707 -3.201
24 HA LEU 3 HA LEU 3 9.558 -0.466 -6.149
25 HB2 LEU 3 HB2 LEU 3 10.529 1.669 -4.204
26 HB3 LEU 3 HB3 LEU 3 10.638 1.788 -5.969
27 HG LEU 3 HG LEU 3 8.007 1.415 -4.471
28 HD11 LEU 3 HD11 LEU 3 7.644 3.800 -4.850
29 HD12 LEU 3 HD12 LEU 3 9.095 3.537 -3.849
30 HD13 LEU 3 HD13 LEU 3 9.260 3.949 -5.576
31 HD21 LEU 3 HD21 LEU 3 7.972 0.728 -6.856
32 HD22 LEU 3 HD22 LEU 3 7.048 2.228 -6.616
33 HD23 LEU 3 HD23 LEU 3 8.678 2.299 -7.314
34 H THR 4 H THR 4 11.511 -0.567 -7.339
35 HA THR 4 HA THR 4 13.771 -1.654 -5.771
36 HB THR 4 HB THR 4 13.499 -1.952 -8.752
37 HG1 THR 4 HG1 THR 4 11.621 -2.765 -7.889
38 HG21 THR 4 HG21 THR 4 14.846 -3.969 -8.313
39 HG22 THR 4 HG22 THR 4 15.666 -2.518 -7.704
40 HG23 THR 4 HG23 THR 4 14.833 -3.619 -6.576
41 H CYS 5 H CYS 5 15.761 -0.794 -5.727
42 HA CYS 5 HA CYS 5 16.090 1.898 -6.787
43 HB2 CYS 5 HB2 CYS 5 16.936 1.231 -4.575
44 HB3 CYS 5 HB3 CYS 5 17.995 0.022 -5.334
45 HA PRO 6 HA PRO 6 18.041 0.444 -10.545
46 HB2 PRO 6 HB2 PRO 6 18.977 2.831 -11.495
47 HB3 PRO 6 HB3 PRO 6 17.229 2.400 -11.505
48 HG2 PRO 6 HG2 PRO 6 18.745 4.111 -9.531
49 HG3 PRO 6 HG3 PRO 6 17.149 4.432 -10.286
50 HD2 PRO 6 HD2 PRO 6 17.436 3.355 -7.760
51 HD3 PRO 6 HD3 PRO 6 16.057 2.953 -8.827
52 H GLU 7 H GLU 7 19.607 2.011 -7.836
53 HA GLU 7 HA GLU 7 22.300 1.480 -8.989
54 HB2 GLU 7 HB2 GLU 7 21.459 3.022 -6.507
55 HB3 GLU 7 HB3 GLU 7 23.114 2.880 -7.125
56 HG2 GLU 7 HG2 GLU 7 20.770 4.125 -8.630
57 HG3 GLU 7 HG3 GLU 7 22.004 5.026 -7.742
58 H CYS 8 H CYS 8 20.274 0.778 -6.084
59 HA CYS 8 HA CYS 8 22.319 -1.054 -5.040
60 HB2 CYS 8 HB2 CYS 8 19.467 -0.518 -4.115
61 HB3 CYS 8 HB3 CYS 8 20.690 -1.455 -3.244
62 H ALA 9 H ALA 9 19.623 -1.193 -7.211
63 HA ALA 9 HA ALA 9 18.493 -2.882 -8.222
64 HB1 ALA 9 HB1 ALA 9 21.047 -4.453 -7.697
65 HB2 ALA 9 HB2 ALA 9 19.797 -4.835 -8.897
66 HB3 ALA 9 HB3 ALA 9 20.768 -3.353 -9.069
67 H SER 10 H SER 10 17.920 -2.484 -5.509
68 HA SER 10 HA SER 10 17.097 -5.212 -4.686
69 HB2 SER 10 HB2 SER 10 19.199 -4.568 -3.509
70 HB3 SER 10 HB3 SER 10 18.362 -3.145 -2.853
71 HG SER 10 HG SER 10 18.308 -4.953 -1.426
72 H ARG 11 H ARG 11 15.275 -5.183 -3.179
73 HA ARG 11 HA ARG 11 13.398 -3.060 -3.954
74 HB2 ARG 11 HB2 ARG 11 13.054 -5.662 -2.427
75 HB3 ARG 11 HB3 ARG 11 11.737 -4.544 -2.835
76 HG2 ARG 11 HG2 ARG 11 12.366 -4.762 -5.256
77 HG3 ARG 11 HG3 ARG 11 13.555 -6.005 -4.802
78 HD2 ARG 11 HD2 ARG 11 11.733 -7.359 -3.787
79 HD3 ARG 11 HD3 ARG 11 10.560 -6.112 -4.247
80 HE ARG 11 HE ARG 11 10.742 -6.741 -6.508
81 HH11 ARG 11 HH11 ARG 11 12.963 -8.597 -4.481
82 HH12 ARG 11 HH12 ARG 11 13.273 -9.802 -5.710
83 HH21 ARG 11 HH21 ARG 11 11.170 -8.307 -8.101
84 HH22 ARG 11 HH22 ARG 11 12.249 -9.641 -7.761
85 H TYR 12 H TYR 12 12.126 -1.861 -2.519
86 HA TYR 12 HA TYR 12 12.726 -1.926 0.327
87 HB2 TYR 12 HB2 TYR 12 14.449 -0.447 -0.232
88 HB3 TYR 12 HB3 TYR 12 13.461 0.408 -1.415
89 HD1 TYR 12 HD2 TYR 12 14.078 -0.074 2.203
90 HD2 TYR 12 HD1 TYR 12 11.953 2.171 -0.789
91 HE1 TYR 12 HE2 TYR 12 13.453 1.612 3.918
92 HE2 TYR 12 HE1 TYR 12 11.353 3.877 0.908
93 HH TYR 12 HH TYR 12 12.352 3.583 4.338
94 H PHE 13 H PHE 13 11.048 -1.301 1.625
95 HA PHE 13 HA PHE 13 8.588 -0.863 0.057
96 HB2 PHE 13 HB2 PHE 13 7.472 -1.960 2.089
97 HB3 PHE 13 HB3 PHE 13 8.365 -2.946 0.939
98 HD1 PHE 13 HD1 PHE 13 8.448 -1.487 4.337
99 HD2 PHE 13 HD2 PHE 13 10.408 -4.090 1.534
100 HE1 PHE 13 HE1 PHE 13 9.852 -2.396 6.166
101 HE2 PHE 13 HE2 PHE 13 11.813 -5.000 3.362
102 HZ PHE 13 HZ PHE 13 11.536 -4.150 5.682
103 H VAL 14 H VAL 14 6.860 0.329 0.673
104 HA VAL 14 HA VAL 14 7.102 2.129 2.991
105 HB VAL 14 HB VAL 14 6.629 4.114 1.648
106 HG11 VAL 14 HG11 VAL 14 9.062 2.669 0.523
107 HG12 VAL 14 HG12 VAL 14 8.789 4.423 0.572
108 HG13 VAL 14 HG13 VAL 14 9.009 3.520 2.088
109 HG21 VAL 14 HG21 VAL 14 6.967 2.285 -0.768
110 HG22 VAL 14 HG22 VAL 14 5.452 3.053 -0.237
111 HG23 VAL 14 HG23 VAL 14 6.797 4.054 -0.817
112 H ASP 15 H ASP 15 5.004 3.244 3.408
113 HA ASP 15 HA ASP 15 2.788 1.476 3.007
114 HB2 ASP 15 HB2 ASP 15 2.926 4.342 4.005
115 HB3 ASP 15 HB3 ASP 15 1.466 3.344 4.018
116 H ASP 16 H ASP 16 0.791 1.881 1.880
117 HA ASP 16 HA ASP 16 1.286 2.659 -0.816
118 HB2 ASP 16 HB2 ASP 16 -1.289 2.051 0.666
119 HB3 ASP 16 HB3 ASP 16 -1.182 2.290 -1.083
120 H SER 17 H SER 17 0.712 4.637 1.860
121 HA SER 17 HA SER 17 -0.871 6.657 0.475
122 HB2 SER 17 HB2 SER 17 -1.094 6.298 2.883
123 HB3 SER 17 HB3 SER 17 0.626 6.671 3.124
124 HG SER 17 HG SER 17 -0.763 8.464 3.517
125 H LYS 18 H LYS 18 2.481 5.788 0.603
126 HA LYS 18 HA LYS 18 3.556 8.465 0.375
127 HB2 LYS 18 HB2 LYS 18 4.647 5.664 0.193
128 HB3 LYS 18 HB3 LYS 18 5.614 7.001 -0.444
129 HG2 LYS 18 HG2 LYS 18 6.193 6.530 1.897
130 HG3 LYS 18 HG3 LYS 18 5.530 8.168 1.695
131 HD2 LYS 18 HD2 LYS 18 3.366 7.455 2.564
132 HD3 LYS 18 HD3 LYS 18 3.904 5.762 2.612
133 HE2 LYS 18 HE2 LYS 18 3.974 6.787 4.840
134 HE3 LYS 18 HE3 LYS 18 5.602 6.338 4.291
135 HZ1 LYS 18 HZ1 LYS 18 5.962 8.629 3.700
136 HZ2 LYS 18 HZ2 LYS 18 4.435 9.039 4.165
137 HZ3 LYS 18 HZ3 LYS 18 5.531 8.532 5.282
138 H VAL 19 H VAL 19 1.882 6.516 -1.840
139 HA VAL 19 HA VAL 19 2.882 8.159 -4.091
140 HB VAL 19 HB VAL 19 2.636 5.142 -4.265
141 HG11 VAL 19 HG11 VAL 19 3.688 7.254 -6.199
142 HG12 VAL 19 HG12 VAL 19 3.765 5.499 -6.458
143 HG13 VAL 19 HG13 VAL 19 2.187 6.312 -6.386
144 HG21 VAL 19 HG21 VAL 19 5.125 6.887 -4.096
145 HG22 VAL 19 HG22 VAL 19 4.593 5.671 -2.905
146 HG23 VAL 19 HG23 VAL 19 5.113 5.163 -4.519
147 H GLY 20 H GLY 20 1.373 8.564 -5.709
148 HA2 GLY 20 HA2 GLY 20 -1.354 7.422 -5.291
149 HA3 GLY 20 HA3 GLY 20 -1.090 9.145 -5.591
150 HA PRO 21 HA PRO 21 -1.607 6.813 -9.633
151 HB2 PRO 21 HB2 PRO 21 -3.920 8.037 -10.467
152 HB3 PRO 21 HB3 PRO 21 -3.905 6.585 -9.413
153 HG2 PRO 21 HG2 PRO 21 -4.270 9.480 -8.627
154 HG3 PRO 21 HG3 PRO 21 -5.152 8.041 -8.028
155 HD2 PRO 21 HD2 PRO 21 -3.054 9.215 -6.675
156 HD3 PRO 21 HD3 PRO 21 -3.421 7.465 -6.569
157 H ASP 22 H ASP 22 -1.547 10.108 -8.479
158 HA ASP 22 HA ASP 22 -0.933 11.221 -11.114
159 HB2 ASP 22 HB2 ASP 22 -0.608 13.345 -9.778
160 HB3 ASP 22 HB3 ASP 22 -2.227 12.650 -9.780
161 H GLY 23 H GLY 23 0.774 9.390 -8.965
162 HA2 GLY 23 HA2 GLY 23 3.012 8.821 -9.083
163 HA3 GLY 23 HA3 GLY 23 3.336 10.220 -10.120
164 H ARG 24 H ARG 24 4.922 9.346 -7.877
165 HA ARG 24 HA ARG 24 5.079 11.848 -6.386
166 HB2 ARG 24 HB2 ARG 24 3.350 10.083 -5.320
167 HB3 ARG 24 HB3 ARG 24 4.839 9.360 -4.695
168 HG2 ARG 24 HG2 ARG 24 4.009 12.273 -4.311
169 HG3 ARG 24 HG3 ARG 24 3.715 10.974 -3.142
170 HD2 ARG 24 HD2 ARG 24 6.195 10.553 -3.075
171 HD3 ARG 24 HD3 ARG 24 6.412 12.012 -4.069
172 HE ARG 24 HE ARG 24 4.915 12.977 -2.024
173 HH11 ARG 24 HH11 ARG 24 7.856 11.020 -2.111
174 HH12 ARG 24 HH12 ARG 24 8.426 11.592 -0.561
175 HH21 ARG 24 HH21 ARG 24 5.688 13.722 -0.009
176 HH22 ARG 24 HH22 ARG 24 7.215 13.139 0.615
177 H VAL 25 H VAL 25 7.211 12.208 -5.848
178 HA VAL 25 HA VAL 25 9.183 10.331 -6.798
179 HB VAL 25 HB VAL 25 9.339 12.845 -6.879
180 HG11 VAL 25 HG11 VAL 25 10.116 12.506 -3.947
181 HG12 VAL 25 HG12 VAL 25 10.180 14.007 -4.895
182 HG13 VAL 25 HG13 VAL 25 8.610 13.263 -4.523
183 HG21 VAL 25 HG21 VAL 25 11.643 11.380 -5.528
184 HG22 VAL 25 HG22 VAL 25 11.286 11.368 -7.270
185 HG23 VAL 25 HG23 VAL 25 11.752 12.887 -6.471
186 H VAL 26 H VAL 26 10.826 9.247 -5.618
187 HA VAL 26 HA VAL 26 10.332 8.937 -2.715
188 HB VAL 26 HB VAL 26 10.379 6.590 -2.792
189 HG11 VAL 26 HG11 VAL 26 8.212 7.581 -3.530
190 HG12 VAL 26 HG12 VAL 26 8.746 7.441 -5.221
191 HG13 VAL 26 HG13 VAL 26 8.506 5.982 -4.245
192 HG21 VAL 26 HG21 VAL 26 12.206 6.292 -4.420
193 HG22 VAL 26 HG22 VAL 26 10.806 5.290 -4.856
194 HG23 VAL 26 HG23 VAL 26 11.122 6.793 -5.741
195 H ARG 27 H ARG 27 12.204 7.626 -1.677
196 HA ARG 27 HA ARG 27 14.776 8.301 -2.995
197 HB2 ARG 27 HB2 ARG 27 15.637 9.253 -0.913
198 HB3 ARG 27 HB3 ARG 27 14.230 10.166 -1.493
199 HG2 ARG 27 HG2 ARG 27 12.779 8.957 0.119
200 HG3 ARG 27 HG3 ARG 27 14.191 8.038 0.697
201 HD2 ARG 27 HD2 ARG 27 15.301 10.169 1.322
202 HD3 ARG 27 HD3 ARG 27 13.864 11.061 0.798
203 HE ARG 27 HE ARG 27 12.681 10.302 2.685
204 HH11 ARG 27 HH11 ARG 27 15.897 8.841 2.519
205 HH12 ARG 27 HH12 ARG 27 15.856 8.268 4.171
206 HH21 ARG 27 HH21 ARG 27 12.651 9.545 4.841
207 HH22 ARG 27 HH22 ARG 27 14.016 8.658 5.474
208 H CYS 28 H CYS 28 16.524 7.041 -2.395
209 HA CYS 28 HA CYS 28 15.813 4.354 -1.502
210 HB2 CYS 28 HB2 CYS 28 17.304 4.866 -3.453
211 HB3 CYS 28 HB3 CYS 28 18.500 5.533 -2.326
212 H ALA 29 H ALA 29 16.352 3.395 0.412
213 HA ALA 29 HA ALA 29 17.387 5.090 2.554
214 HB1 ALA 29 HB1 ALA 29 15.552 3.476 2.943
215 HB2 ALA 29 HB2 ALA 29 16.628 2.141 2.472
216 HB3 ALA 29 HB3 ALA 29 16.975 3.087 3.939
217 H SER 30 H SER 30 18.826 3.228 0.084
218 HA SER 30 HA SER 30 21.079 2.414 1.845
219 HB2 SER 30 HB2 SER 30 19.955 1.224 -0.700
220 HB3 SER 30 HB3 SER 30 21.516 0.744 0.003
221 HG SER 30 HG SER 30 19.777 -0.567 0.730
222 H CYS 31 H CYS 31 20.282 4.495 -0.854
223 HA CYS 31 HA CYS 31 23.124 5.251 -0.896
224 HB2 CYS 31 HB2 CYS 31 23.429 5.056 -3.256
225 HB3 CYS 31 HB3 CYS 31 22.848 3.493 -2.646
226 H GLY 32 H GLY 32 19.900 6.186 -0.828
227 HA2 GLY 32 HA2 GLY 32 19.102 8.322 -0.541
228 HA3 GLY 32 HA3 GLY 32 20.725 8.963 -0.874
229 H ASN 33 H ASN 33 19.957 6.883 -3.390
230 HA ASN 33 HA ASN 33 19.641 8.917 -5.345
231 HB2 ASN 33 HB2 ASN 33 20.467 6.557 -5.672
232 HB3 ASN 33 HB3 ASN 33 18.800 5.995 -5.475
233 HD21 ASN 33 HD22 ASN 33 18.630 5.159 -7.597
234 HD22 ASN 33 HD21 ASN 33 18.566 6.200 -8.998
235 H ARG 34 H ARG 34 17.766 9.452 -6.640
236 HA ARG 34 HA ARG 34 15.161 8.864 -5.334
237 HB2 ARG 34 HB2 ARG 34 16.128 11.624 -6.173
238 HB3 ARG 34 HB3 ARG 34 14.516 11.230 -5.546
239 HG2 ARG 34 HG2 ARG 34 15.564 10.414 -3.432
240 HG3 ARG 34 HG3 ARG 34 17.158 10.894 -4.052
241 HD2 ARG 34 HD2 ARG 34 14.794 12.768 -3.636
242 HD3 ARG 34 HD3 ARG 34 16.179 12.607 -2.540
243 HE ARG 34 HE ARG 34 16.076 14.062 -5.055
244 HH11 ARG 34 HH11 ARG 34 18.224 12.338 -2.826
245 HH12 ARG 34 HH12 ARG 34 19.643 13.223 -3.328
246 HH21 ARG 34 HH21 ARG 34 17.955 15.188 -5.702
247 HH22 ARG 34 HH22 ARG 34 19.493 14.818 -4.964
248 H TRP 35 H TRP 35 13.386 8.820 -6.683
249 HA TRP 35 HA TRP 35 13.554 9.646 -9.469
250 HB2 TRP 35 HB2 TRP 35 13.178 7.438 -10.415
251 HB3 TRP 35 HB3 TRP 35 14.710 7.462 -9.542
252 HD1 TRP 35 HD1 TRP 35 11.279 5.877 -9.548
253 HE1 TRP 35 HE1 TRP 35 11.141 3.986 -7.847
254 HE3 TRP 35 HE3 TRP 35 15.761 6.597 -7.186
255 HZ2 TRP 35 HZ2 TRP 35 12.774 2.898 -5.722
256 HZ3 TRP 35 HZ3 TRP 35 16.441 5.098 -5.340
257 HH2 TRP 35 HH2 TRP 35 14.960 3.254 -4.599
258 H THR 36 H THR 36 11.429 9.399 -10.540
259 HA THR 36 HA THR 36 9.275 9.722 -8.647
260 HB THR 36 HB THR 36 8.822 9.517 -11.599
261 HG1 THR 36 HG1 THR 36 9.497 11.666 -11.742
262 HG21 THR 36 HG21 THR 36 7.193 11.310 -11.065
263 HG22 THR 36 HG22 THR 36 6.911 9.867 -10.073
264 HG23 THR 36 HG23 THR 36 7.724 11.286 -9.364
265 H ALA 37 H ALA 37 7.598 8.417 -8.110
266 HA ALA 37 HA ALA 37 7.511 5.725 -9.389
267 HB1 ALA 37 HB1 ALA 37 8.397 5.674 -7.071
268 HB2 ALA 37 HB2 ALA 37 6.917 6.486 -6.502
269 HB3 ALA 37 HB3 ALA 37 6.822 4.855 -7.202
270 H PHE 38 H PHE 38 5.310 4.712 -9.250
271 HA PHE 38 HA PHE 38 3.104 6.581 -8.864
272 HB2 PHE 38 HB2 PHE 38 2.167 5.939 -11.173
273 HB3 PHE 38 HB3 PHE 38 3.385 7.209 -11.026
274 HD1 PHE 38 HD2 PHE 38 2.842 3.682 -12.052
275 HD2 PHE 38 HD1 PHE 38 5.558 7.016 -11.984
276 HE1 PHE 38 HE2 PHE 38 4.308 2.518 -13.683
277 HE2 PHE 38 HE1 PHE 38 7.029 5.849 -13.611
278 HZ PHE 38 HZ PHE 38 6.401 3.607 -14.465
279 H LYS 39 H LYS 39 1.062 5.724 -8.602
280 HA LYS 39 HA LYS 39 1.109 3.009 -7.546
281 HB2 LYS 39 HB2 LYS 39 -0.038 4.796 -6.363
282 HB3 LYS 39 HB3 LYS 39 -1.082 5.106 -7.765
283 HG2 LYS 39 HG2 LYS 39 -2.208 3.026 -7.538
284 HG3 LYS 39 HG3 LYS 39 -0.984 2.387 -6.412
285 HD2 LYS 39 HD2 LYS 39 -2.761 4.779 -5.801
286 HD3 LYS 39 HD3 LYS 39 -3.132 3.113 -5.302
287 HE2 LYS 39 HE2 LYS 39 -0.957 2.995 -4.108
288 HE3 LYS 39 HE3 LYS 39 -0.633 4.681 -4.546
289 HZ1 LYS 39 HZ1 LYS 39 -2.887 3.744 -2.908
290 HZ2 LYS 39 HZ2 LYS 39 -1.548 4.521 -2.358
291 HZ3 LYS 39 HZ3 LYS 39 -2.607 5.310 -3.343
292 H ASP 40 H ASP 40 -0.407 1.338 -8.126
293 HA ASP 40 HA ASP 40 -1.597 1.471 -10.819
294 HB2 ASP 40 HB2 ASP 40 0.821 0.756 -11.052
295 HB3 ASP 40 HB3 ASP 40 0.457 -0.642 -10.032
296 H GLU 41 H GLU 41 -2.417 1.258 -7.914
297 HA GLU 41 HA GLU 41 -3.238 -1.436 -7.370
298 HB2 GLU 41 HB2 GLU 41 -2.840 0.275 -5.658
299 HB3 GLU 41 HB3 GLU 41 -4.170 1.265 -6.317
300 HG2 GLU 41 HG2 GLU 41 -5.788 -0.462 -5.757
301 HG3 GLU 41 HG3 GLU 41 -4.487 -1.540 -5.208
302 H ALA 42 H ALA 42 -4.496 1.093 -9.414
303 HA ALA 42 HA ALA 42 -6.761 -0.554 -10.193
304 HB1 ALA 42 HB1 ALA 42 -8.449 1.189 -9.675
305 HB2 ALA 42 HB2 ALA 42 -7.677 0.569 -8.197
306 HB3 ALA 42 HB3 ALA 42 -7.197 2.148 -8.850
307 H GLU 43 H GLU 43 -7.698 0.163 -12.176
308 HA GLU 43 HA GLU 43 -6.593 2.534 -13.496
309 HB2 GLU 43 HB2 GLU 43 -5.656 -0.233 -13.936
310 HB3 GLU 43 HB3 GLU 43 -6.219 0.552 -15.418
311 HG2 GLU 43 HG2 GLU 43 -4.142 1.674 -13.484
312 HG3 GLU 43 HG3 GLU 43 -3.787 0.882 -15.027
313 H LEU 44 H LEU 44 -7.607 2.796 -15.680
314 HA LEU 44 HA LEU 44 -10.456 2.474 -15.467
315 HB2 LEU 44 HB2 LEU 44 -8.550 3.492 -17.600
316 HB3 LEU 44 HB3 LEU 44 -10.283 3.313 -17.923
317 HG LEU 44 HG LEU 44 -10.781 4.771 -15.944
318 HD11 LEU 44 HD11 LEU 44 -7.755 5.172 -15.978
319 HD12 LEU 44 HD12 LEU 44 -8.896 6.242 -15.142
320 HD13 LEU 44 HD13 LEU 44 -8.736 4.552 -14.623
321 HD21 LEU 44 HD21 LEU 44 -8.957 5.955 -18.077
322 HD22 LEU 44 HD22 LEU 44 -10.699 5.634 -18.261
323 HD23 LEU 44 HD23 LEU 44 -10.140 6.857 -17.100
324 H GLU 45 H GLU 45 -11.854 1.378 -17.009
325 HA GLU 45 HA GLU 45 -11.074 -1.350 -17.423
326 HB2 GLU 45 HB2 GLU 45 -13.362 -0.690 -16.910
327 HB3 GLU 45 HB3 GLU 45 -13.463 0.263 -18.402
328 HG2 GLU 45 HG2 GLU 45 -13.202 -1.760 -19.764
329 HG3 GLU 45 HG3 GLU 45 -12.983 -2.743 -18.304
330 H LEU 46 H LEU 46 -10.729 -2.501 -19.358
331 HA LEU 46 HA LEU 46 -10.511 -1.047 -21.890
332 HB2 LEU 46 HB2 LEU 46 -8.355 -0.554 -20.822
333 HB3 LEU 46 HB3 LEU 46 -8.101 -2.276 -20.495
334 HG LEU 46 HG LEU 46 -8.071 -2.723 -22.952
335 HD11 LEU 46 HD11 LEU 46 -8.203 0.324 -23.154
336 HD12 LEU 46 HD12 LEU 46 -7.862 -0.794 -24.498
337 HD13 LEU 46 HD13 LEU 46 -9.451 -0.816 -23.711
338 HD21 LEU 46 HD21 LEU 46 -6.143 -0.565 -22.011
339 HD22 LEU 46 HD22 LEU 46 -5.982 -2.309 -21.702
340 HD23 LEU 46 HD23 LEU 46 -5.875 -1.686 -23.364
341 H VAL 47 H VAL 47 -10.436 -2.464 -23.694
342 HA VAL 47 HA VAL 47 -11.785 -4.941 -23.285
343 HB VAL 47 HB VAL 47 -11.628 -5.204 -25.693
344 HG11 VAL 47 HG11 VAL 47 -11.960 -2.253 -24.971
345 HG12 VAL 47 HG12 VAL 47 -12.618 -3.070 -26.400
346 HG13 VAL 47 HG13 VAL 47 -13.208 -3.504 -24.779
347 HG21 VAL 47 HG21 VAL 47 -9.265 -4.606 -26.025
348 HG22 VAL 47 HG22 VAL 47 -10.310 -3.617 -27.064
349 HG23 VAL 47 HG23 VAL 47 -9.618 -2.912 -25.591
350 HA PRO 48 HA PRO 48 -8.410 -7.695 -22.681
351 HB2 PRO 48 HB2 PRO 48 -9.515 -10.071 -23.489
352 HB3 PRO 48 HB3 PRO 48 -10.027 -9.220 -21.993
353 HG2 PRO 48 HG2 PRO 48 -11.354 -9.207 -24.716
354 HG3 PRO 48 HG3 PRO 48 -12.116 -9.366 -23.096
355 HD2 PRO 48 HD2 PRO 48 -11.995 -6.998 -24.490
356 HD3 PRO 48 HD3 PRO 48 -11.966 -7.069 -22.698
357 H ARG 49 H ARG 49 -9.850 -7.235 -25.851
358 HA ARG 49 HA ARG 49 -7.285 -7.699 -27.142
359 HB2 ARG 49 HB2 ARG 49 -8.111 -9.411 -28.707
360 HB3 ARG 49 HB3 ARG 49 -8.127 -10.012 -27.046
361 HG2 ARG 49 HG2 ARG 49 -10.568 -9.504 -26.896
362 HG3 ARG 49 HG3 ARG 49 -10.542 -8.961 -28.589
363 HD2 ARG 49 HD2 ARG 49 -9.761 -11.191 -29.301
364 HD3 ARG 49 HD3 ARG 49 -9.767 -11.747 -27.620
365 HE ARG 49 HE ARG 49 -12.101 -11.248 -29.358
366 HH11 ARG 49 HH11 ARG 49 -10.879 -11.991 -26.123
367 HH12 ARG 49 HH12 ARG 49 -12.412 -12.606 -25.554
368 HH21 ARG 49 HH21 ARG 49 -14.096 -12.041 -28.588
369 HH22 ARG 49 HH22 ARG 49 -14.236 -12.641 -26.952
Start of MODEL 13
1 H1 MET 1 H1 MET 1 3.724 -0.354 -0.051
2 H2 MET 1 H2 MET 1 3.380 -1.870 -0.608
3 H3 MET 1 H3 MET 1 2.405 -0.603 -0.997
4 HA MET 1 HA MET 1 3.765 -1.205 -2.854
5 HB2 MET 1 HB2 MET 1 3.131 1.073 -2.838
6 HB3 MET 1 HB3 MET 1 4.264 1.468 -1.526
7 HG2 MET 1 HG2 MET 1 6.174 1.063 -2.980
8 HG3 MET 1 HG3 MET 1 5.109 0.533 -4.290
9 HE1 MET 1 HE1 MET 1 2.812 2.495 -4.546
10 HE2 MET 1 HE2 MET 1 3.512 3.732 -5.622
11 HE3 MET 1 HE3 MET 1 3.875 2.010 -5.887
12 H ILE 2 H ILE 2 5.767 -1.678 -3.761
13 HA ILE 2 HA ILE 2 8.146 -1.233 -2.075
14 HB ILE 2 HB ILE 2 7.161 -3.664 -1.955
15 HG12 ILE 2 HG12 ILE 2 10.101 -3.288 -2.636
16 HG13 ILE 2 HG13 ILE 2 9.359 -2.741 -1.114
17 HG21 ILE 2 HG21 ILE 2 8.780 -3.844 -4.533
18 HG22 ILE 2 HG22 ILE 2 7.984 -5.179 -3.680
19 HG23 ILE 2 HG23 ILE 2 6.999 -3.930 -4.461
20 HD11 ILE 2 HD11 ILE 2 8.621 -5.045 -0.626
21 HD12 ILE 2 HD12 ILE 2 9.433 -5.612 -2.112
22 HD13 ILE 2 HD13 ILE 2 10.382 -4.913 -0.773
23 H LEU 3 H LEU 3 9.997 -0.749 -3.273
24 HA LEU 3 HA LEU 3 9.648 -0.528 -6.225
25 HB2 LEU 3 HB2 LEU 3 10.595 1.606 -4.282
26 HB3 LEU 3 HB3 LEU 3 10.729 1.735 -6.046
27 HG LEU 3 HG LEU 3 8.068 1.347 -4.589
28 HD11 LEU 3 HD11 LEU 3 7.740 3.756 -4.964
29 HD12 LEU 3 HD12 LEU 3 9.157 3.466 -3.934
30 HD13 LEU 3 HD13 LEU 3 9.374 3.881 -5.655
31 HD21 LEU 3 HD21 LEU 3 8.067 0.677 -6.976
32 HD22 LEU 3 HD22 LEU 3 7.155 2.184 -6.741
33 HD23 LEU 3 HD23 LEU 3 8.800 2.245 -7.409
34 H THR 4 H THR 4 11.576 -0.644 -7.435
35 HA THR 4 HA THR 4 13.864 -1.709 -5.914
36 HB THR 4 HB THR 4 13.688 -1.841 -8.894
37 HG1 THR 4 HG1 THR 4 12.542 -3.763 -8.647
38 HG21 THR 4 HG21 THR 4 14.836 -3.686 -6.751
39 HG22 THR 4 HG22 THR 4 14.965 -3.925 -8.504
40 HG23 THR 4 HG23 THR 4 15.773 -2.539 -7.741
41 H CYS 5 H CYS 5 15.836 -0.804 -5.809
42 HA CYS 5 HA CYS 5 16.147 1.910 -6.820
43 HB2 CYS 5 HB2 CYS 5 16.973 1.211 -4.598
44 HB3 CYS 5 HB3 CYS 5 18.058 0.035 -5.378
45 HA PRO 6 HA PRO 6 18.149 0.509 -10.574
46 HB2 PRO 6 HB2 PRO 6 19.082 2.906 -11.491
47 HB3 PRO 6 HB3 PRO 6 17.342 2.471 -11.531
48 HG2 PRO 6 HG2 PRO 6 18.809 4.163 -9.511
49 HG3 PRO 6 HG3 PRO 6 17.225 4.485 -10.291
50 HD2 PRO 6 HD2 PRO 6 17.465 3.391 -7.773
51 HD3 PRO 6 HD3 PRO 6 16.113 2.980 -8.878
52 H GLU 7 H GLU 7 19.656 2.018 -7.820
53 HA GLU 7 HA GLU 7 22.371 1.493 -8.923
54 HB2 GLU 7 HB2 GLU 7 21.493 3.055 -6.464
55 HB3 GLU 7 HB3 GLU 7 23.155 2.909 -7.054
56 HG2 GLU 7 HG2 GLU 7 20.837 4.146 -8.603
57 HG3 GLU 7 HG3 GLU 7 22.056 5.053 -7.700
58 H CYS 8 H CYS 8 20.249 0.763 -6.103
59 HA CYS 8 HA CYS 8 22.292 -1.050 -5.008
60 HB2 CYS 8 HB2 CYS 8 19.440 -0.495 -4.085
61 HB3 CYS 8 HB3 CYS 8 20.661 -1.448 -3.223
62 H ALA 9 H ALA 9 19.660 -1.189 -7.234
63 HA ALA 9 HA ALA 9 18.553 -2.873 -8.274
64 HB1 ALA 9 HB1 ALA 9 20.848 -3.328 -9.050
65 HB2 ALA 9 HB2 ALA 9 21.096 -4.424 -7.667
66 HB3 ALA 9 HB3 ALA 9 19.887 -4.816 -8.918
67 H SER 10 H SER 10 17.974 -2.535 -5.496
68 HA SER 10 HA SER 10 17.085 -5.290 -4.806
69 HB2 SER 10 HB2 SER 10 18.438 -3.271 -2.974
70 HB3 SER 10 HB3 SER 10 17.590 -4.732 -2.416
71 HG SER 10 HG SER 10 19.853 -4.590 -4.124
72 H ARG 11 H ARG 11 15.328 -5.269 -3.155
73 HA ARG 11 HA ARG 11 13.330 -3.292 -4.009
74 HB2 ARG 11 HB2 ARG 11 13.094 -5.674 -2.131
75 HB3 ARG 11 HB3 ARG 11 11.758 -4.768 -2.856
76 HG2 ARG 11 HG2 ARG 11 13.826 -6.409 -4.389
77 HG3 ARG 11 HG3 ARG 11 12.159 -6.892 -4.047
78 HD2 ARG 11 HD2 ARG 11 11.337 -4.921 -5.315
79 HD3 ARG 11 HD3 ARG 11 13.010 -4.480 -5.706
80 HE ARG 11 HE ARG 11 13.130 -6.811 -6.791
81 HH11 ARG 11 HH11 ARG 11 10.178 -4.861 -6.645
82 HH12 ARG 11 HH12 ARG 11 9.485 -5.596 -8.074
83 HH21 ARG 11 HH21 ARG 11 12.207 -7.737 -8.650
84 HH22 ARG 11 HH22 ARG 11 10.633 -7.221 -9.207
85 H TYR 12 H TYR 12 12.096 -2.009 -2.618
86 HA TYR 12 HA TYR 12 12.757 -1.923 0.216
87 HB2 TYR 12 HB2 TYR 12 14.432 -0.439 -0.394
88 HB3 TYR 12 HB3 TYR 12 13.447 0.314 -1.651
89 HD1 TYR 12 HD1 TYR 12 14.152 0.200 1.964
90 HD2 TYR 12 HD2 TYR 12 11.787 2.009 -1.135
91 HE1 TYR 12 HE1 TYR 12 13.449 1.983 3.543
92 HE2 TYR 12 HE2 TYR 12 11.102 3.811 0.419
93 HH TYR 12 HH TYR 12 11.254 4.636 2.558
94 H PHE 13 H PHE 13 11.091 -1.397 1.517
95 HA PHE 13 HA PHE 13 8.584 -1.022 0.026
96 HB2 PHE 13 HB2 PHE 13 7.557 -1.986 2.174
97 HB3 PHE 13 HB3 PHE 13 8.405 -3.030 1.040
98 HD1 PHE 13 HD2 PHE 13 8.694 -1.301 4.319
99 HD2 PHE 13 HD1 PHE 13 10.405 -4.200 1.648
100 HE1 PHE 13 HE2 PHE 13 10.185 -2.088 6.133
101 HE2 PHE 13 HE1 PHE 13 11.902 -4.988 3.457
102 HZ PHE 13 HZ PHE 13 11.789 -3.939 5.709
103 H VAL 14 H VAL 14 6.855 0.208 0.665
104 HA VAL 14 HA VAL 14 7.132 2.034 2.909
105 HB VAL 14 HB VAL 14 8.404 3.134 1.036
106 HG11 VAL 14 HG11 VAL 14 6.990 2.331 -0.837
107 HG12 VAL 14 HG12 VAL 14 5.641 3.328 -0.245
108 HG13 VAL 14 HG13 VAL 14 7.130 4.106 -0.822
109 HG21 VAL 14 HG21 VAL 14 7.289 4.390 2.893
110 HG22 VAL 14 HG22 VAL 14 7.423 5.318 1.381
111 HG23 VAL 14 HG23 VAL 14 5.863 4.603 1.846
112 H ASP 15 H ASP 15 5.127 3.254 3.310
113 HA ASP 15 HA ASP 15 2.830 1.619 2.900
114 HB2 ASP 15 HB2 ASP 15 3.114 4.474 3.884
115 HB3 ASP 15 HB3 ASP 15 1.605 3.552 3.918
116 H ASP 16 H ASP 16 0.856 2.078 1.799
117 HA ASP 16 HA ASP 16 1.293 2.953 -0.886
118 HB2 ASP 16 HB2 ASP 16 -1.224 2.245 0.655
119 HB3 ASP 16 HB3 ASP 16 -1.201 2.620 -1.075
120 H SER 17 H SER 17 0.773 4.804 1.904
121 HA SER 17 HA SER 17 -0.783 6.921 0.642
122 HB2 SER 17 HB2 SER 17 -0.906 6.479 3.059
123 HB3 SER 17 HB3 SER 17 0.834 6.793 3.220
124 HG SER 17 HG SER 17 -1.177 8.626 2.421
125 H LYS 18 H LYS 18 2.518 5.922 0.547
126 HA LYS 18 HA LYS 18 3.764 8.512 0.349
127 HB2 LYS 18 HB2 LYS 18 4.958 6.530 1.086
128 HB3 LYS 18 HB3 LYS 18 4.611 5.701 -0.445
129 HG2 LYS 18 HG2 LYS 18 6.913 6.543 -0.375
130 HG3 LYS 18 HG3 LYS 18 5.984 7.328 -1.669
131 HD2 LYS 18 HD2 LYS 18 5.623 9.304 -0.196
132 HD3 LYS 18 HD3 LYS 18 6.555 8.502 1.089
133 HE2 LYS 18 HE2 LYS 18 8.526 8.418 -0.398
134 HE3 LYS 18 HE3 LYS 18 7.593 9.188 -1.693
135 HZ1 LYS 18 HZ1 LYS 18 8.909 10.793 -0.528
136 HZ2 LYS 18 HZ2 LYS 18 7.316 11.100 -0.259
137 HZ3 LYS 18 HZ3 LYS 18 8.221 10.394 0.916
138 H VAL 19 H VAL 19 1.882 6.592 -1.870
139 HA VAL 19 HA VAL 19 2.678 8.401 -4.075
140 HB VAL 19 HB VAL 19 2.588 5.384 -4.397
141 HG11 VAL 19 HG11 VAL 19 3.431 7.666 -6.236
142 HG12 VAL 19 HG12 VAL 19 3.656 5.936 -6.584
143 HG13 VAL 19 HG13 VAL 19 2.014 6.601 -6.444
144 HG21 VAL 19 HG21 VAL 19 5.067 5.617 -4.750
145 HG22 VAL 19 HG22 VAL 19 4.956 7.289 -4.154
146 HG23 VAL 19 HG23 VAL 19 4.555 5.926 -3.077
147 H GLY 20 H GLY 20 1.121 8.704 -5.686
148 HA2 GLY 20 HA2 GLY 20 -1.553 7.461 -5.177
149 HA3 GLY 20 HA3 GLY 20 -1.358 9.191 -5.513
150 HA PRO 21 HA PRO 21 -1.989 6.827 -9.495
151 HB2 PRO 21 HB2 PRO 21 -4.161 8.271 -10.395
152 HB3 PRO 21 HB3 PRO 21 -4.304 6.850 -9.308
153 HG2 PRO 21 HG2 PRO 21 -4.349 9.789 -8.585
154 HG3 PRO 21 HG3 PRO 21 -5.402 8.470 -7.978
155 HD2 PRO 21 HD2 PRO 21 -3.214 9.417 -6.602
156 HD3 PRO 21 HD3 PRO 21 -3.741 7.707 -6.497
157 H ASP 22 H ASP 22 -1.570 10.131 -8.473
158 HA ASP 22 HA ASP 22 -0.854 11.074 -11.154
159 HB2 ASP 22 HB2 ASP 22 -0.390 13.232 -9.917
160 HB3 ASP 22 HB3 ASP 22 -2.059 12.656 -9.928
161 H GLY 23 H GLY 23 0.684 9.270 -8.818
162 HA2 GLY 23 HA2 GLY 23 2.873 8.567 -8.739
163 HA3 GLY 23 HA3 GLY 23 3.298 9.741 -9.999
164 H ARG 24 H ARG 24 4.901 9.203 -7.741
165 HA ARG 24 HA ARG 24 5.185 11.887 -6.651
166 HB2 ARG 24 HB2 ARG 24 3.484 10.810 -5.134
167 HB3 ARG 24 HB3 ARG 24 4.660 9.523 -4.804
168 HG2 ARG 24 HG2 ARG 24 4.671 11.171 -2.995
169 HG3 ARG 24 HG3 ARG 24 6.219 11.203 -3.847
170 HD2 ARG 24 HD2 ARG 24 5.504 13.203 -5.118
171 HD3 ARG 24 HD3 ARG 24 3.907 13.128 -4.359
172 HE ARG 24 HE ARG 24 6.438 14.047 -3.146
173 HH11 ARG 24 HH11 ARG 24 3.056 13.133 -2.647
174 HH12 ARG 24 HH12 ARG 24 2.937 13.967 -1.116
175 HH21 ARG 24 HH21 ARG 24 6.243 15.140 -1.145
176 HH22 ARG 24 HH22 ARG 24 4.731 15.091 -0.267
177 H VAL 25 H VAL 25 7.306 12.230 -5.859
178 HA VAL 25 HA VAL 25 9.270 10.321 -6.801
179 HB VAL 25 HB VAL 25 9.493 12.812 -6.936
180 HG11 VAL 25 HG11 VAL 25 10.104 12.554 -3.959
181 HG12 VAL 25 HG12 VAL 25 10.263 14.019 -4.948
182 HG13 VAL 25 HG13 VAL 25 8.652 13.326 -4.652
183 HG21 VAL 25 HG21 VAL 25 11.888 12.831 -6.400
184 HG22 VAL 25 HG22 VAL 25 11.700 11.361 -5.418
185 HG23 VAL 25 HG23 VAL 25 11.433 11.297 -7.178
186 H VAL 26 H VAL 26 10.829 9.194 -5.617
187 HA VAL 26 HA VAL 26 10.303 8.894 -2.711
188 HB VAL 26 HB VAL 26 10.424 6.540 -2.812
189 HG11 VAL 26 HG11 VAL 26 8.237 7.505 -3.517
190 HG12 VAL 26 HG12 VAL 26 8.762 7.410 -5.218
191 HG13 VAL 26 HG13 VAL 26 8.552 5.927 -4.269
192 HG21 VAL 26 HG21 VAL 26 12.243 6.314 -4.461
193 HG22 VAL 26 HG22 VAL 26 10.874 5.279 -4.894
194 HG23 VAL 26 HG23 VAL 26 11.130 6.804 -5.765
195 H ARG 27 H ARG 27 12.186 7.587 -1.659
196 HA ARG 27 HA ARG 27 14.778 8.346 -2.887
197 HB2 ARG 27 HB2 ARG 27 14.179 10.190 -1.402
198 HB3 ARG 27 HB3 ARG 27 13.847 9.048 -0.081
199 HG2 ARG 27 HG2 ARG 27 16.219 8.339 -0.082
200 HG3 ARG 27 HG3 ARG 27 16.550 9.436 -1.441
201 HD2 ARG 27 HD2 ARG 27 17.242 10.483 0.649
202 HD3 ARG 27 HD3 ARG 27 15.866 11.359 -0.033
203 HE ARG 27 HE ARG 27 14.553 10.731 1.773
204 HH11 ARG 27 HH11 ARG 27 17.524 8.809 1.748
205 HH12 ARG 27 HH12 ARG 27 17.242 8.144 3.340
206 HH21 ARG 27 HH21 ARG 27 14.211 9.842 3.848
207 HH22 ARG 27 HH22 ARG 27 15.373 8.724 4.523
208 H CYS 28 H CYS 28 16.445 6.973 -2.485
209 HA CYS 28 HA CYS 28 15.783 4.333 -1.487
210 HB2 CYS 28 HB2 CYS 28 17.260 4.827 -3.453
211 HB3 CYS 28 HB3 CYS 28 18.454 5.526 -2.341
212 H ALA 29 H ALA 29 16.269 3.444 0.465
213 HA ALA 29 HA ALA 29 17.351 5.168 2.556
214 HB1 ALA 29 HB1 ALA 29 16.518 2.240 2.551
215 HB2 ALA 29 HB2 ALA 29 16.887 3.211 3.994
216 HB3 ALA 29 HB3 ALA 29 15.479 3.620 2.984
217 H SER 30 H SER 30 18.749 3.225 0.129
218 HA SER 30 HA SER 30 20.986 2.393 1.904
219 HB2 SER 30 HB2 SER 30 19.861 1.233 -0.661
220 HB3 SER 30 HB3 SER 30 21.418 0.731 0.042
221 HG SER 30 HG SER 30 19.676 -0.573 0.756
222 H CYS 31 H CYS 31 20.223 4.495 -0.793
223 HA CYS 31 HA CYS 31 23.058 5.263 -0.774
224 HB2 CYS 31 HB2 CYS 31 23.409 5.092 -3.132
225 HB3 CYS 31 HB3 CYS 31 22.845 3.516 -2.541
226 H GLY 32 H GLY 32 19.823 6.180 -0.779
227 HA2 GLY 32 HA2 GLY 32 19.028 8.325 -0.467
228 HA3 GLY 32 HA3 GLY 32 20.648 8.960 -0.794
229 H ASN 33 H ASN 33 19.885 6.883 -3.317
230 HA ASN 33 HA ASN 33 19.607 8.925 -5.258
231 HB2 ASN 33 HB2 ASN 33 20.437 6.578 -5.597
232 HB3 ASN 33 HB3 ASN 33 18.770 6.007 -5.440
233 HD21 ASN 33 HD22 ASN 33 18.726 5.172 -7.576
234 HD22 ASN 33 HD21 ASN 33 18.666 6.223 -8.973
235 H ARG 34 H ARG 34 17.743 9.464 -6.590
236 HA ARG 34 HA ARG 34 15.119 8.903 -5.305
237 HB2 ARG 34 HB2 ARG 34 16.067 11.631 -6.274
238 HB3 ARG 34 HB3 ARG 34 14.485 11.247 -5.572
239 HG2 ARG 34 HG2 ARG 34 15.607 10.585 -3.449
240 HG3 ARG 34 HG3 ARG 34 17.177 11.042 -4.151
241 HD2 ARG 34 HD2 ARG 34 16.308 13.349 -4.530
242 HD3 ARG 34 HD3 ARG 34 14.792 12.883 -3.741
243 HE ARG 34 HE ARG 34 17.392 12.638 -2.296
244 HH11 ARG 34 HH11 ARG 34 14.182 14.093 -2.582
245 HH12 ARG 34 HH12 ARG 34 14.238 14.816 -0.990
246 HH21 ARG 34 HH21 ARG 34 17.445 13.600 -0.229
247 HH22 ARG 34 HH22 ARG 34 16.084 14.548 0.331
248 H TRP 35 H TRP 35 13.353 8.820 -6.662
249 HA TRP 35 HA TRP 35 13.530 9.596 -9.458
250 HB2 TRP 35 HB2 TRP 35 13.165 7.386 -10.389
251 HB3 TRP 35 HB3 TRP 35 14.700 7.433 -9.528
252 HD1 TRP 35 HD1 TRP 35 11.291 5.796 -9.491
253 HE1 TRP 35 HE1 TRP 35 11.202 3.909 -7.789
254 HE3 TRP 35 HE3 TRP 35 15.799 6.573 -7.200
255 HZ2 TRP 35 HZ2 TRP 35 12.873 2.852 -5.683
256 HZ3 TRP 35 HZ3 TRP 35 16.520 5.103 -5.356
257 HH2 TRP 35 HH2 TRP 35 15.065 3.247 -4.577
258 H THR 36 H THR 36 11.422 9.312 -10.549
259 HA THR 36 HA THR 36 9.259 9.683 -8.687
260 HB THR 36 HB THR 36 8.816 9.337 -11.631
261 HG1 THR 36 HG1 THR 36 9.468 11.500 -11.863
262 HG21 THR 36 HG21 THR 36 7.691 11.192 -9.496
263 HG22 THR 36 HG22 THR 36 7.186 11.150 -11.201
264 HG23 THR 36 HG23 THR 36 6.887 9.749 -10.151
265 H ALA 37 H ALA 37 7.569 8.409 -8.127
266 HA ALA 37 HA ALA 37 7.555 5.637 -9.232
267 HB1 ALA 37 HB1 ALA 37 6.817 4.892 -7.027
268 HB2 ALA 37 HB2 ALA 37 8.372 5.740 -6.897
269 HB3 ALA 37 HB3 ALA 37 6.858 6.559 -6.418
270 H PHE 38 H PHE 38 5.403 4.576 -9.112
271 HA PHE 38 HA PHE 38 3.120 6.370 -8.863
272 HB2 PHE 38 HB2 PHE 38 2.235 5.490 -11.117
273 HB3 PHE 38 HB3 PHE 38 3.370 6.842 -11.060
274 HD1 PHE 38 HD1 PHE 38 2.977 3.288 -11.955
275 HD2 PHE 38 HD2 PHE 38 5.647 6.661 -11.874
276 HE1 PHE 38 HE1 PHE 38 4.525 2.103 -13.487
277 HE2 PHE 38 HE2 PHE 38 7.197 5.470 -13.392
278 HZ PHE 38 HZ PHE 38 6.642 3.193 -14.205
279 H LYS 39 H LYS 39 1.111 5.430 -8.521
280 HA LYS 39 HA LYS 39 1.359 2.918 -7.111
281 HB2 LYS 39 HB2 LYS 39 -0.004 4.715 -6.235
282 HB3 LYS 39 HB3 LYS 39 -1.019 4.720 -7.688
283 HG2 LYS 39 HG2 LYS 39 -1.931 2.560 -7.197
284 HG3 LYS 39 HG3 LYS 39 -0.690 2.231 -5.971
285 HD2 LYS 39 HD2 LYS 39 -2.764 4.444 -5.738
286 HD3 LYS 39 HD3 LYS 39 -2.937 2.835 -5.010
287 HE2 LYS 39 HE2 LYS 39 -0.811 3.159 -3.779
288 HE3 LYS 39 HE3 LYS 39 -0.674 4.793 -4.450
289 HZ1 LYS 39 HZ1 LYS 39 -2.849 3.833 -2.721
290 HZ2 LYS 39 HZ2 LYS 39 -1.631 4.855 -2.282
291 HZ3 LYS 39 HZ3 LYS 39 -2.755 5.338 -3.381
292 H ASP 40 H ASP 40 0.294 0.978 -7.492
293 HA ASP 40 HA ASP 40 -1.186 0.493 -9.961
294 HB2 ASP 40 HB2 ASP 40 1.237 0.596 -10.692
295 HB3 ASP 40 HB3 ASP 40 1.573 -0.750 -9.595
296 H GLU 41 H GLU 41 0.127 -0.359 -6.841
297 HA GLU 41 HA GLU 41 -0.509 -3.145 -6.831
298 HB2 GLU 41 HB2 GLU 41 1.193 -2.104 -5.415
299 HB3 GLU 41 HB3 GLU 41 -0.041 -1.116 -4.604
300 HG2 GLU 41 HG2 GLU 41 -1.091 -3.072 -3.655
301 HG3 GLU 41 HG3 GLU 41 -0.069 -4.154 -4.629
302 H ALA 42 H ALA 42 -2.501 -0.311 -6.559
303 HA ALA 42 HA ALA 42 -4.735 -2.002 -5.639
304 HB1 ALA 42 HB1 ALA 42 -3.755 -0.952 -3.621
305 HB2 ALA 42 HB2 ALA 42 -3.989 0.656 -4.350
306 HB3 ALA 42 HB3 ALA 42 -5.399 -0.346 -3.941
307 H GLU 43 H GLU 43 -3.853 -0.626 -8.201
308 HA GLU 43 HA GLU 43 -5.816 1.457 -8.660
309 HB2 GLU 43 HB2 GLU 43 -3.993 -0.186 -10.439
310 HB3 GLU 43 HB3 GLU 43 -5.112 1.030 -11.079
311 HG2 GLU 43 HG2 GLU 43 -2.983 1.579 -8.965
312 HG3 GLU 43 HG3 GLU 43 -2.791 1.901 -10.694
313 H LEU 44 H LEU 44 -7.519 1.303 -10.303
314 HA LEU 44 HA LEU 44 -9.294 -0.864 -9.743
315 HB2 LEU 44 HB2 LEU 44 -10.037 1.408 -10.309
316 HB3 LEU 44 HB3 LEU 44 -9.321 1.255 -11.923
317 HG LEU 44 HG LEU 44 -10.877 -0.651 -12.406
318 HD11 LEU 44 HD11 LEU 44 -12.106 0.175 -9.734
319 HD12 LEU 44 HD12 LEU 44 -12.829 -0.961 -10.895
320 HD13 LEU 44 HD13 LEU 44 -11.315 -1.388 -10.085
321 HD21 LEU 44 HD21 LEU 44 -11.412 1.657 -13.089
322 HD22 LEU 44 HD22 LEU 44 -12.883 0.757 -12.659
323 HD23 LEU 44 HD23 LEU 44 -12.201 1.944 -11.522
324 H GLU 45 H GLU 45 -9.865 -2.686 -10.929
325 HA GLU 45 HA GLU 45 -7.832 -3.787 -12.632
326 HB2 GLU 45 HB2 GLU 45 -10.659 -4.757 -12.032
327 HB3 GLU 45 HB3 GLU 45 -9.391 -5.676 -12.853
328 HG2 GLU 45 HG2 GLU 45 -9.167 -6.449 -10.688
329 HG3 GLU 45 HG3 GLU 45 -7.942 -5.179 -10.733
330 H LEU 46 H LEU 46 -8.165 -4.614 -14.820
331 HA LEU 46 HA LEU 46 -9.208 -2.598 -16.565
332 HB2 LEU 46 HB2 LEU 46 -8.349 -3.889 -18.314
333 HB3 LEU 46 HB3 LEU 46 -7.248 -4.196 -16.970
334 HG LEU 46 HG LEU 46 -9.544 -6.035 -17.812
335 HD11 LEU 46 HD11 LEU 46 -6.545 -6.243 -18.284
336 HD12 LEU 46 HD12 LEU 46 -7.764 -7.471 -18.715
337 HD13 LEU 46 HD13 LEU 46 -7.780 -5.888 -19.518
338 HD21 LEU 46 HD21 LEU 46 -8.988 -6.357 -15.450
339 HD22 LEU 46 HD22 LEU 46 -8.314 -7.700 -16.393
340 HD23 LEU 46 HD23 LEU 46 -7.248 -6.395 -15.831
341 H VAL 47 H VAL 47 -10.837 -2.938 -18.264
342 HA VAL 47 HA VAL 47 -13.293 -3.854 -17.131
343 HB VAL 47 HB VAL 47 -14.322 -3.100 -19.149
344 HG11 VAL 47 HG11 VAL 47 -11.878 -1.348 -18.635
345 HG12 VAL 47 HG12 VAL 47 -13.417 -0.835 -19.358
346 HG13 VAL 47 HG13 VAL 47 -13.367 -1.346 -17.659
347 HG21 VAL 47 HG21 VAL 47 -12.886 -4.206 -20.801
348 HG22 VAL 47 HG22 VAL 47 -13.008 -2.471 -21.151
349 HG23 VAL 47 HG23 VAL 47 -11.539 -3.115 -20.386
350 HA PRO 48 HA PRO 48 -13.366 -8.064 -18.412
351 HB2 PRO 48 HB2 PRO 48 -16.075 -8.499 -18.681
352 HB3 PRO 48 HB3 PRO 48 -15.261 -8.315 -17.095
353 HG2 PRO 48 HG2 PRO 48 -16.790 -6.240 -18.680
354 HG3 PRO 48 HG3 PRO 48 -16.858 -6.575 -16.924
355 HD2 PRO 48 HD2 PRO 48 -15.359 -4.535 -18.001
356 HD3 PRO 48 HD3 PRO 48 -14.850 -5.422 -16.532
357 H ARG 49 H ARG 49 -13.964 -9.472 -20.224
358 HA ARG 49 HA ARG 49 -13.670 -8.135 -22.769
359 HB2 ARG 49 HB2 ARG 49 -14.258 -11.038 -22.072
360 HB3 ARG 49 HB3 ARG 49 -13.812 -10.433 -23.680
361 HG2 ARG 49 HG2 ARG 49 -11.670 -9.577 -22.758
362 HG3 ARG 49 HG3 ARG 49 -12.102 -10.235 -21.162
363 HD2 ARG 49 HD2 ARG 49 -12.227 -12.512 -22.143
364 HD3 ARG 49 HD3 ARG 49 -11.777 -11.848 -23.721
365 HE ARG 49 HE ARG 49 -9.571 -11.480 -22.964
366 HH11 ARG 49 HH11 ARG 49 -11.625 -12.805 -20.419
367 HH12 ARG 49 HH12 ARG 49 -10.274 -13.277 -19.407
368 HH21 ARG 49 HH21 ARG 49 -7.827 -12.112 -21.640
369 HH22 ARG 49 HH22 ARG 49 -8.132 -12.894 -20.105
Start of MODEL 14
1 H1 MET 1 H1 MET 1 3.534 -1.910 0.029
2 H2 MET 1 H2 MET 1 2.334 -0.949 -0.573
3 H3 MET 1 H3 MET 1 3.725 -0.279 -0.009
4 HA MET 1 HA MET 1 3.552 -2.082 -2.316
5 HB2 MET 1 HB2 MET 1 3.937 -0.097 -3.709
6 HB3 MET 1 HB3 MET 1 2.431 0.044 -2.788
7 HG2 MET 1 HG2 MET 1 3.668 1.403 -1.076
8 HG3 MET 1 HG3 MET 1 5.094 1.352 -2.114
9 HE1 MET 1 HE1 MET 1 5.341 2.568 -4.398
10 HE2 MET 1 HE2 MET 1 3.935 1.676 -5.033
11 HE3 MET 1 HE3 MET 1 4.022 3.440 -5.217
12 H ILE 2 H ILE 2 5.603 -1.846 -3.691
13 HA ILE 2 HA ILE 2 7.963 -1.259 -2.015
14 HB ILE 2 HB ILE 2 7.117 -3.757 -1.992
15 HG12 ILE 2 HG12 ILE 2 10.038 -3.240 -2.629
16 HG13 ILE 2 HG13 ILE 2 9.281 -2.710 -1.113
17 HG21 ILE 2 HG21 ILE 2 8.779 -3.755 -4.544
18 HG22 ILE 2 HG22 ILE 2 8.034 -5.153 -3.747
19 HG23 ILE 2 HG23 ILE 2 7.000 -3.929 -4.498
20 HD11 ILE 2 HD11 ILE 2 8.598 -5.025 -0.615
21 HD12 ILE 2 HD12 ILE 2 9.384 -5.584 -2.112
22 HD13 ILE 2 HD13 ILE 2 10.361 -4.887 -0.797
23 H LEU 3 H LEU 3 9.848 -0.779 -3.191
24 HA LEU 3 HA LEU 3 9.524 -0.446 -6.134
25 HB2 LEU 3 HB2 LEU 3 10.552 1.612 -4.143
26 HB3 LEU 3 HB3 LEU 3 10.621 1.783 -5.906
27 HG LEU 3 HG LEU 3 8.019 1.395 -4.366
28 HD11 LEU 3 HD11 LEU 3 9.162 3.487 -3.688
29 HD12 LEU 3 HD12 LEU 3 9.292 3.957 -5.400
30 HD13 LEU 3 HD13 LEU 3 7.693 3.814 -4.637
31 HD21 LEU 3 HD21 LEU 3 7.029 2.293 -6.458
32 HD22 LEU 3 HD22 LEU 3 8.654 2.375 -7.186
33 HD23 LEU 3 HD23 LEU 3 7.934 0.801 -6.777
34 H THR 4 H THR 4 11.463 -0.557 -7.339
35 HA THR 4 HA THR 4 13.726 -1.698 -5.811
36 HB THR 4 HB THR 4 13.447 -1.848 -8.804
37 HG1 THR 4 HG1 THR 4 11.577 -2.724 -7.999
38 HG21 THR 4 HG21 THR 4 14.784 -3.630 -6.722
39 HG22 THR 4 HG22 THR 4 14.826 -3.867 -8.482
40 HG23 THR 4 HG23 THR 4 15.625 -2.458 -7.765
41 H CYS 5 H CYS 5 15.723 -0.825 -5.749
42 HA CYS 5 HA CYS 5 15.968 1.933 -6.585
43 HB2 CYS 5 HB2 CYS 5 16.934 1.115 -4.485
44 HB3 CYS 5 HB3 CYS 5 17.983 0.003 -5.399
45 HA PRO 6 HA PRO 6 17.736 1.056 -10.613
46 HB2 PRO 6 HB2 PRO 6 18.871 3.801 -10.365
47 HB3 PRO 6 HB3 PRO 6 17.824 3.122 -11.649
48 HG2 PRO 6 HG2 PRO 6 16.867 4.896 -9.791
49 HG3 PRO 6 HG3 PRO 6 15.871 3.533 -10.405
50 HD2 PRO 6 HD2 PRO 6 17.384 3.726 -7.804
51 HD3 PRO 6 HD3 PRO 6 15.754 3.055 -8.139
52 H GLU 7 H GLU 7 19.437 1.982 -7.713
53 HA GLU 7 HA GLU 7 22.070 1.458 -9.026
54 HB2 GLU 7 HB2 GLU 7 21.428 3.031 -6.507
55 HB3 GLU 7 HB3 GLU 7 23.038 2.806 -7.198
56 HG2 GLU 7 HG2 GLU 7 20.698 4.167 -8.603
57 HG3 GLU 7 HG3 GLU 7 22.012 5.011 -7.777
58 H CYS 8 H CYS 8 20.134 0.817 -6.038
59 HA CYS 8 HA CYS 8 22.167 -1.047 -5.069
60 HB2 CYS 8 HB2 CYS 8 19.324 -0.524 -4.092
61 HB3 CYS 8 HB3 CYS 8 20.549 -1.500 -3.269
62 H ALA 9 H ALA 9 19.518 -1.149 -7.264
63 HA ALA 9 HA ALA 9 18.401 -2.810 -8.327
64 HB1 ALA 9 HB1 ALA 9 20.951 -4.385 -7.795
65 HB2 ALA 9 HB2 ALA 9 19.728 -4.736 -9.039
66 HB3 ALA 9 HB3 ALA 9 20.699 -3.245 -9.131
67 H SER 10 H SER 10 17.834 -2.504 -5.561
68 HA SER 10 HA SER 10 16.984 -5.257 -4.860
69 HB2 SER 10 HB2 SER 10 19.102 -4.672 -3.661
70 HB3 SER 10 HB3 SER 10 18.277 -3.278 -2.940
71 HG SER 10 HG SER 10 18.219 -5.142 -1.592
72 H ARG 11 H ARG 11 15.178 -5.274 -3.318
73 HA ARG 11 HA ARG 11 13.325 -3.113 -4.015
74 HB2 ARG 11 HB2 ARG 11 12.963 -5.760 -2.573
75 HB3 ARG 11 HB3 ARG 11 11.651 -4.618 -2.927
76 HG2 ARG 11 HG2 ARG 11 12.230 -4.751 -5.357
77 HG3 ARG 11 HG3 ARG 11 13.426 -6.013 -4.966
78 HD2 ARG 11 HD2 ARG 11 11.617 -7.397 -3.982
79 HD3 ARG 11 HD3 ARG 11 10.438 -6.131 -4.374
80 HE ARG 11 HE ARG 11 10.620 -6.648 -6.675
81 HH11 ARG 11 HH11 ARG 11 12.721 -8.680 -4.692
82 HH12 ARG 11 HH12 ARG 11 12.966 -9.868 -5.949
83 HH21 ARG 11 HH21 ARG 11 10.938 -8.212 -8.300
84 HH22 ARG 11 HH22 ARG 11 11.941 -9.610 -7.992
85 H TYR 12 H TYR 12 12.086 -1.934 -2.552
86 HA TYR 12 HA TYR 12 12.684 -2.072 0.298
87 HB2 TYR 12 HB2 TYR 12 14.446 -0.625 -0.252
88 HB3 TYR 12 HB3 TYR 12 13.465 0.269 -1.410
89 HD1 TYR 12 HD2 TYR 12 14.122 -0.278 2.195
90 HD2 TYR 12 HD1 TYR 12 11.965 2.037 -0.726
91 HE1 TYR 12 HE2 TYR 12 13.560 1.393 3.940
92 HE2 TYR 12 HE1 TYR 12 11.424 3.726 1.006
93 HH TYR 12 HH TYR 12 11.635 4.331 3.208
94 H PHE 13 H PHE 13 10.999 -1.459 1.600
95 HA PHE 13 HA PHE 13 8.559 -0.953 0.027
96 HB2 PHE 13 HB2 PHE 13 7.417 -1.963 2.092
97 HB3 PHE 13 HB3 PHE 13 8.274 -2.998 0.957
98 HD1 PHE 13 HD1 PHE 13 8.466 -1.427 4.313
99 HD2 PHE 13 HD2 PHE 13 10.239 -4.233 1.572
100 HE1 PHE 13 HE1 PHE 13 9.871 -2.326 6.141
101 HE2 PHE 13 HE2 PHE 13 11.644 -5.133 3.402
102 HZ PHE 13 HZ PHE 13 11.466 -4.184 5.690
103 H VAL 14 H VAL 14 6.860 0.297 0.613
104 HA VAL 14 HA VAL 14 7.171 2.178 2.854
105 HB VAL 14 HB VAL 14 6.718 4.117 1.427
106 HG11 VAL 14 HG11 VAL 14 9.085 3.508 1.909
107 HG12 VAL 14 HG12 VAL 14 9.134 2.572 0.400
108 HG13 VAL 14 HG13 VAL 14 8.899 4.334 0.347
109 HG21 VAL 14 HG21 VAL 14 6.893 3.948 -1.034
110 HG22 VAL 14 HG22 VAL 14 7.023 2.177 -0.897
111 HG23 VAL 14 HG23 VAL 14 5.528 3.001 -0.412
112 H ASP 15 H ASP 15 5.105 3.375 3.242
113 HA ASP 15 HA ASP 15 2.837 1.657 2.999
114 HB2 ASP 15 HB2 ASP 15 3.075 4.588 3.761
115 HB3 ASP 15 HB3 ASP 15 1.593 3.634 3.893
116 H ASP 16 H ASP 16 0.841 2.002 1.864
117 HA ASP 16 HA ASP 16 1.255 2.720 -0.874
118 HB2 ASP 16 HB2 ASP 16 -1.265 2.126 0.714
119 HB3 ASP 16 HB3 ASP 16 -1.228 2.358 -1.039
120 H SER 17 H SER 17 0.642 4.702 1.838
121 HA SER 17 HA SER 17 -0.828 6.752 0.364
122 HB2 SER 17 HB2 SER 17 -0.620 8.017 2.457
123 HB3 SER 17 HB3 SER 17 -1.173 6.361 2.788
124 HG SER 17 HG SER 17 0.541 7.033 4.180
125 H LYS 18 H LYS 18 2.460 5.764 0.568
126 HA LYS 18 HA LYS 18 3.701 8.348 0.443
127 HB2 LYS 18 HB2 LYS 18 4.786 6.282 1.276
128 HB3 LYS 18 HB3 LYS 18 4.645 5.555 -0.328
129 HG2 LYS 18 HG2 LYS 18 6.905 6.411 0.063
130 HG3 LYS 18 HG3 LYS 18 6.119 7.255 -1.283
131 HD2 LYS 18 HD2 LYS 18 7.312 8.849 0.157
132 HD3 LYS 18 HD3 LYS 18 5.563 9.146 0.226
133 HE2 LYS 18 HE2 LYS 18 5.429 7.888 2.348
134 HE3 LYS 18 HE3 LYS 18 7.164 7.542 2.261
135 HZ1 LYS 18 HZ1 LYS 18 6.714 9.410 3.685
136 HZ2 LYS 18 HZ2 LYS 18 7.579 9.901 2.377
137 HZ3 LYS 18 HZ3 LYS 18 5.968 10.227 2.469
138 H VAL 19 H VAL 19 2.008 6.381 -1.872
139 HA VAL 19 HA VAL 19 2.924 8.157 -4.055
140 HB VAL 19 HB VAL 19 2.819 5.145 -4.352
141 HG11 VAL 19 HG11 VAL 19 3.901 7.374 -6.129
142 HG12 VAL 19 HG12 VAL 19 4.028 5.634 -6.456
143 HG13 VAL 19 HG13 VAL 19 2.431 6.409 -6.429
144 HG21 VAL 19 HG21 VAL 19 5.316 5.286 -4.482
145 HG22 VAL 19 HG22 VAL 19 5.228 6.980 -3.975
146 HG23 VAL 19 HG23 VAL 19 4.695 5.685 -2.872
147 H GLY 20 H GLY 20 1.410 8.492 -5.706
148 HA2 GLY 20 HA2 GLY 20 -1.264 7.227 -5.291
149 HA3 GLY 20 HA3 GLY 20 -1.077 8.961 -5.585
150 HA PRO 21 HA PRO 21 -1.558 6.670 -9.646
151 HB2 PRO 21 HB2 PRO 21 -3.849 7.933 -10.487
152 HB3 PRO 21 HB3 PRO 21 -3.854 6.465 -9.455
153 HG2 PRO 21 HG2 PRO 21 -4.203 9.349 -8.624
154 HG3 PRO 21 HG3 PRO 21 -5.096 7.897 -8.063
155 HD2 PRO 21 HD2 PRO 21 -3.005 9.045 -6.667
156 HD3 PRO 21 HD3 PRO 21 -3.372 7.300 -6.586
157 H ASP 22 H ASP 22 -1.535 9.976 -8.485
158 HA ASP 22 HA ASP 22 -0.862 11.090 -11.099
159 HB2 ASP 22 HB2 ASP 22 -0.529 13.201 -9.748
160 HB3 ASP 22 HB3 ASP 22 -2.163 12.513 -9.766
161 H GLY 23 H GLY 23 0.800 9.266 -8.899
162 HA2 GLY 23 HA2 GLY 23 3.025 8.673 -8.898
163 HA3 GLY 23 HA3 GLY 23 3.376 9.966 -10.062
164 H ARG 24 H ARG 24 4.972 9.270 -7.783
165 HA ARG 24 HA ARG 24 5.223 11.914 -6.586
166 HB2 ARG 24 HB2 ARG 24 3.525 10.798 -5.118
167 HB3 ARG 24 HB3 ARG 24 4.672 9.471 -4.847
168 HG2 ARG 24 HG2 ARG 24 4.699 11.039 -2.962
169 HG3 ARG 24 HG3 ARG 24 6.262 11.051 -3.795
170 HD2 ARG 24 HD2 ARG 24 5.622 13.117 -4.998
171 HD3 ARG 24 HD3 ARG 24 4.026 13.070 -4.224
172 HE ARG 24 HE ARG 24 6.549 13.297 -2.630
173 HH11 ARG 24 HH11 ARG 24 3.339 14.505 -3.503
174 HH12 ARG 24 HH12 ARG 24 3.312 15.703 -2.233
175 HH21 ARG 24 HH21 ARG 24 6.492 14.870 -0.979
176 HH22 ARG 24 HH22 ARG 24 5.084 15.896 -0.803
177 H VAL 25 H VAL 25 7.338 12.253 -5.813
178 HA VAL 25 HA VAL 25 9.292 10.340 -6.805
179 HB VAL 25 HB VAL 25 9.502 12.832 -7.003
180 HG11 VAL 25 HG11 VAL 25 10.179 12.649 -4.036
181 HG12 VAL 25 HG12 VAL 25 10.305 14.094 -5.062
182 HG13 VAL 25 HG13 VAL 25 8.707 13.391 -4.714
183 HG21 VAL 25 HG21 VAL 25 11.455 11.328 -7.259
184 HG22 VAL 25 HG22 VAL 25 11.907 12.878 -6.515
185 HG23 VAL 25 HG23 VAL 25 11.756 11.427 -5.508
186 H VAL 26 H VAL 26 10.885 9.238 -5.633
187 HA VAL 26 HA VAL 26 10.415 9.031 -2.708
188 HB VAL 26 HB VAL 26 10.501 6.666 -2.728
189 HG11 VAL 26 HG11 VAL 26 8.791 7.481 -5.118
190 HG12 VAL 26 HG12 VAL 26 8.587 6.035 -4.109
191 HG13 VAL 26 HG13 VAL 26 8.316 7.649 -3.410
192 HG21 VAL 26 HG21 VAL 26 12.274 6.370 -4.424
193 HG22 VAL 26 HG22 VAL 26 10.874 5.345 -4.788
194 HG23 VAL 26 HG23 VAL 26 11.132 6.841 -5.707
195 H ARG 27 H ARG 27 12.276 7.753 -1.634
196 HA ARG 27 HA ARG 27 14.864 8.413 -2.929
197 HB2 ARG 27 HB2 ARG 27 14.287 10.330 -1.508
198 HB3 ARG 27 HB3 ARG 27 14.022 9.252 -0.127
199 HG2 ARG 27 HG2 ARG 27 16.380 8.582 -0.151
200 HG3 ARG 27 HG3 ARG 27 16.666 9.545 -1.619
201 HD2 ARG 27 HD2 ARG 27 16.041 11.596 -0.391
202 HD3 ARG 27 HD3 ARG 27 15.772 10.643 1.076
203 HE ARG 27 HE ARG 27 18.362 11.355 -0.141
204 HH11 ARG 27 HH11 ARG 27 16.632 9.413 2.258
205 HH12 ARG 27 HH12 ARG 27 18.058 9.136 3.232
206 HH21 ARG 27 HH21 ARG 27 20.194 11.000 1.164
207 HH22 ARG 27 HH22 ARG 27 20.070 10.036 2.617
208 H CYS 28 H CYS 28 16.525 7.048 -2.459
209 HA CYS 28 HA CYS 28 15.803 4.445 -1.414
210 HB2 CYS 28 HB2 CYS 28 17.290 4.883 -3.389
211 HB3 CYS 28 HB3 CYS 28 18.508 5.558 -2.287
212 H ALA 29 H ALA 29 16.309 3.538 0.526
213 HA ALA 29 HA ALA 29 17.412 5.248 2.617
214 HB1 ALA 29 HB1 ALA 29 16.539 2.329 2.609
215 HB2 ALA 29 HB2 ALA 29 16.932 3.290 4.050
216 HB3 ALA 29 HB3 ALA 29 15.523 3.723 3.048
217 H SER 30 H SER 30 18.787 3.326 0.171
218 HA SER 30 HA SER 30 21.009 2.438 1.941
219 HB2 SER 30 HB2 SER 30 19.851 1.274 -0.605
220 HB3 SER 30 HB3 SER 30 21.398 0.751 0.099
221 HG SER 30 HG SER 30 18.854 0.707 1.356
222 H CYS 31 H CYS 31 20.257 4.499 -0.799
223 HA CYS 31 HA CYS 31 23.112 5.207 -0.835
224 HB2 CYS 31 HB2 CYS 31 23.430 4.956 -3.182
225 HB3 CYS 31 HB3 CYS 31 22.811 3.413 -2.557
226 H GLY 32 H GLY 32 19.898 6.200 -0.826
227 HA2 GLY 32 HA2 GLY 32 19.157 8.368 -0.557
228 HA3 GLY 32 HA3 GLY 32 20.789 8.956 -0.919
229 H ASN 33 H ASN 33 19.905 6.829 -3.369
230 HA ASN 33 HA ASN 33 19.678 8.839 -5.355
231 HB2 ASN 33 HB2 ASN 33 20.428 6.461 -5.659
232 HB3 ASN 33 HB3 ASN 33 18.748 5.940 -5.436
233 HD21 ASN 33 HD22 ASN 33 18.570 5.058 -7.530
234 HD22 ASN 33 HD21 ASN 33 18.500 6.065 -8.960
235 H ARG 34 H ARG 34 17.815 9.415 -6.672
236 HA ARG 34 HA ARG 34 15.181 8.927 -5.376
237 HB2 ARG 34 HB2 ARG 34 16.244 11.624 -6.279
238 HB3 ARG 34 HB3 ARG 34 14.599 11.300 -5.690
239 HG2 ARG 34 HG2 ARG 34 15.565 10.521 -3.514
240 HG3 ARG 34 HG3 ARG 34 17.180 10.969 -4.104
241 HD2 ARG 34 HD2 ARG 34 14.812 12.861 -3.811
242 HD3 ARG 34 HD3 ARG 34 16.159 12.729 -2.675
243 HE ARG 34 HE ARG 34 17.664 13.509 -4.474
244 HH11 ARG 34 HH11 ARG 34 14.199 14.093 -4.867
245 HH12 ARG 34 HH12 ARG 34 14.433 15.416 -5.985
246 HH21 ARG 34 HH21 ARG 34 17.941 15.229 -5.938
247 HH22 ARG 34 HH22 ARG 34 16.545 16.063 -6.577
248 H TRP 35 H TRP 35 13.434 8.837 -6.724
249 HA TRP 35 HA TRP 35 13.605 9.616 -9.520
250 HB2 TRP 35 HB2 TRP 35 13.264 7.396 -10.441
251 HB3 TRP 35 HB3 TRP 35 14.786 7.446 -9.555
252 HD1 TRP 35 HD1 TRP 35 11.391 5.799 -9.606
253 HE1 TRP 35 HE1 TRP 35 11.246 3.927 -7.891
254 HE3 TRP 35 HE3 TRP 35 15.784 6.652 -7.115
255 HZ2 TRP 35 HZ2 TRP 35 12.820 2.921 -5.685
256 HZ3 TRP 35 HZ3 TRP 35 16.411 5.230 -5.198
257 HH2 TRP 35 HH2 TRP 35 14.953 3.356 -4.480
258 H THR 36 H THR 36 11.468 9.341 -10.582
259 HA THR 36 HA THR 36 9.325 9.695 -8.687
260 HB THR 36 HB THR 36 8.828 9.362 -11.618
261 HG1 THR 36 HG1 THR 36 9.471 11.520 -11.860
262 HG21 THR 36 HG21 THR 36 6.946 9.767 -10.088
263 HG22 THR 36 HG22 THR 36 7.761 11.221 -9.454
264 HG23 THR 36 HG23 THR 36 7.207 11.170 -11.145
265 H ALA 37 H ALA 37 7.633 8.431 -8.132
266 HA ALA 37 HA ALA 37 7.579 5.666 -9.246
267 HB1 ALA 37 HB1 ALA 37 6.997 6.592 -6.406
268 HB2 ALA 37 HB2 ALA 37 6.883 4.924 -7.006
269 HB3 ALA 37 HB3 ALA 37 8.464 5.735 -6.930
270 H PHE 38 H PHE 38 5.410 4.630 -9.040
271 HA PHE 38 HA PHE 38 3.160 6.451 -8.727
272 HB2 PHE 38 HB2 PHE 38 2.215 5.649 -10.984
273 HB3 PHE 38 HB3 PHE 38 3.396 6.959 -10.931
274 HD1 PHE 38 HD1 PHE 38 2.885 3.413 -11.840
275 HD2 PHE 38 HD2 PHE 38 5.620 6.732 -11.823
276 HE1 PHE 38 HE1 PHE 38 4.368 2.198 -13.408
277 HE2 PHE 38 HE2 PHE 38 7.114 5.510 -13.386
278 HZ PHE 38 HZ PHE 38 6.491 3.240 -14.177
279 H LYS 39 H LYS 39 1.140 5.533 -8.387
280 HA LYS 39 HA LYS 39 1.281 2.998 -7.039
281 HB2 LYS 39 HB2 LYS 39 -0.215 4.854 -6.349
282 HB3 LYS 39 HB3 LYS 39 -1.109 4.687 -7.871
283 HG2 LYS 39 HG2 LYS 39 -2.323 3.560 -6.082
284 HG3 LYS 39 HG3 LYS 39 -1.748 2.381 -7.270
285 HD2 LYS 39 HD2 LYS 39 -1.419 1.602 -4.936
286 HD3 LYS 39 HD3 LYS 39 0.118 1.753 -5.805
287 HE2 LYS 39 HE2 LYS 39 0.330 2.651 -3.536
288 HE3 LYS 39 HE3 LYS 39 0.513 3.952 -4.724
289 HZ1 LYS 39 HZ1 LYS 39 -1.950 3.344 -3.233
290 HZ2 LYS 39 HZ2 LYS 39 -0.908 4.579 -2.915
291 HZ3 LYS 39 HZ3 LYS 39 -1.762 4.574 -4.319
292 H ASP 40 H ASP 40 0.513 0.997 -7.597
293 HA ASP 40 HA ASP 40 -0.872 0.557 -10.129
294 HB2 ASP 40 HB2 ASP 40 1.575 0.879 -10.716
295 HB3 ASP 40 HB3 ASP 40 1.942 -0.542 -9.725
296 H GLU 41 H GLU 41 -0.805 0.027 -7.025
297 HA GLU 41 HA GLU 41 -0.541 -2.835 -6.738
298 HB2 GLU 41 HB2 GLU 41 -1.824 -0.667 -5.035
299 HB3 GLU 41 HB3 GLU 41 -1.689 -2.351 -4.523
300 HG2 GLU 41 HG2 GLU 41 0.680 -0.592 -5.324
301 HG3 GLU 41 HG3 GLU 41 0.150 -0.863 -3.653
302 H ALA 42 H ALA 42 -3.047 -0.766 -7.968
303 HA ALA 42 HA ALA 42 -4.849 -3.025 -8.313
304 HB1 ALA 42 HB1 ALA 42 -5.650 -0.687 -6.537
305 HB2 ALA 42 HB2 ALA 42 -6.699 -2.037 -7.038
306 HB3 ALA 42 HB3 ALA 42 -5.309 -2.332 -5.967
307 H GLU 43 H GLU 43 -6.788 -2.384 -9.584
308 HA GLU 43 HA GLU 43 -6.736 0.252 -10.852
309 HB2 GLU 43 HB2 GLU 43 -5.087 -0.917 -12.212
310 HB3 GLU 43 HB3 GLU 43 -6.130 -2.335 -12.334
311 HG2 GLU 43 HG2 GLU 43 -6.220 -1.112 -14.419
312 HG3 GLU 43 HG3 GLU 43 -7.794 -1.018 -13.625
313 H LEU 44 H LEU 44 -8.706 0.788 -11.799
314 HA LEU 44 HA LEU 44 -10.952 0.809 -11.922
315 HB2 LEU 44 HB2 LEU 44 -10.258 -0.857 -13.720
316 HB3 LEU 44 HB3 LEU 44 -10.747 -2.142 -12.600
317 HG LEU 44 HG LEU 44 -13.068 -1.164 -12.554
318 HD11 LEU 44 HD11 LEU 44 -11.913 0.675 -14.697
319 HD12 LEU 44 HD12 LEU 44 -13.641 0.478 -14.346
320 HD13 LEU 44 HD13 LEU 44 -12.561 1.171 -13.115
321 HD21 LEU 44 HD21 LEU 44 -12.470 -2.988 -14.094
322 HD22 LEU 44 HD22 LEU 44 -13.659 -1.889 -14.828
323 HD23 LEU 44 HD23 LEU 44 -11.952 -1.799 -15.313
324 H GLU 45 H GLU 45 -9.738 0.195 -9.301
325 HA GLU 45 HA GLU 45 -11.413 -1.744 -7.972
326 HB2 GLU 45 HB2 GLU 45 -9.159 -1.222 -7.184
327 HB3 GLU 45 HB3 GLU 45 -9.594 0.482 -6.972
328 HG2 GLU 45 HG2 GLU 45 -9.587 -0.622 -4.817
329 HG3 GLU 45 HG3 GLU 45 -11.232 -0.147 -5.215
330 H LEU 46 H LEU 46 -11.753 1.637 -8.827
331 HA LEU 46 HA LEU 46 -13.696 2.272 -6.807
332 HB2 LEU 46 HB2 LEU 46 -13.947 4.355 -7.930
333 HB3 LEU 46 HB3 LEU 46 -12.242 3.928 -7.910
334 HG LEU 46 HG LEU 46 -12.667 4.905 -10.002
335 HD11 LEU 46 HD11 LEU 46 -12.147 3.213 -11.636
336 HD12 LEU 46 HD12 LEU 46 -11.282 2.848 -10.131
337 HD13 LEU 46 HD13 LEU 46 -12.746 1.924 -10.574
338 HD21 LEU 46 HD21 LEU 46 -15.161 4.649 -9.948
339 HD22 LEU 46 HD22 LEU 46 -14.409 4.371 -11.534
340 HD23 LEU 46 HD23 LEU 46 -14.951 2.990 -10.571
341 H VAL 47 H VAL 47 -15.958 2.858 -7.229
342 HA VAL 47 HA VAL 47 -17.246 0.659 -8.612
343 HB VAL 47 HB VAL 47 -18.555 3.026 -7.242
344 HG11 VAL 47 HG11 VAL 47 -19.461 0.155 -7.739
345 HG12 VAL 47 HG12 VAL 47 -20.392 1.421 -6.901
346 HG13 VAL 47 HG13 VAL 47 -20.036 1.586 -8.631
347 HG21 VAL 47 HG21 VAL 47 -16.973 2.017 -5.676
348 HG22 VAL 47 HG22 VAL 47 -18.631 1.548 -5.240
349 HG23 VAL 47 HG23 VAL 47 -17.575 0.391 -6.079
350 HA PRO 48 HA PRO 48 -17.654 2.830 -12.423
351 HB2 PRO 48 HB2 PRO 48 -19.370 1.136 -13.740
352 HB3 PRO 48 HB3 PRO 48 -17.654 0.739 -13.414
353 HG2 PRO 48 HG2 PRO 48 -20.116 -0.107 -11.866
354 HG3 PRO 48 HG3 PRO 48 -18.719 -1.112 -12.362
355 HD2 PRO 48 HD2 PRO 48 -18.958 -0.041 -9.849
356 HD3 PRO 48 HD3 PRO 48 -17.368 -0.251 -10.643
357 H ARG 49 H ARG 49 -19.964 2.857 -10.035
358 HA ARG 49 HA ARG 49 -21.644 4.767 -11.496
359 HB2 ARG 49 HB2 ARG 49 -23.736 3.582 -10.958
360 HB3 ARG 49 HB3 ARG 49 -22.711 2.622 -12.041
361 HG2 ARG 49 HG2 ARG 49 -21.903 1.286 -10.106
362 HG3 ARG 49 HG3 ARG 49 -22.927 2.254 -9.016
363 HD2 ARG 49 HD2 ARG 49 -24.931 1.530 -10.261
364 HD3 ARG 49 HD3 ARG 49 -23.916 0.560 -11.342
365 HE ARG 49 HE ARG 49 -24.509 0.012 -8.482
366 HH11 ARG 49 HH11 ARG 49 -22.945 -0.954 -11.499
367 HH12 ARG 49 HH12 ARG 49 -22.683 -2.603 -10.975
368 HH21 ARG 49 HH21 ARG 49 -24.163 -2.133 -7.821
369 HH22 ARG 49 HH22 ARG 49 -23.377 -3.271 -8.890
Start of MODEL 15
1 H1 MET 1 H1 MET 1 3.572 -1.484 -0.040
2 H2 MET 1 H2 MET 1 2.475 -0.530 -0.811
3 H3 MET 1 H3 MET 1 3.893 0.111 -0.266
4 HA MET 1 HA MET 1 3.627 -1.907 -2.386
5 HB2 MET 1 HB2 MET 1 4.391 -0.132 -3.904
6 HB3 MET 1 HB3 MET 1 2.842 0.292 -3.142
7 HG2 MET 1 HG2 MET 1 3.792 1.957 -1.833
8 HG3 MET 1 HG3 MET 1 5.374 1.173 -1.784
9 HE1 MET 1 HE1 MET 1 3.409 1.726 -5.141
10 HE2 MET 1 HE2 MET 1 2.850 3.080 -4.121
11 HE3 MET 1 HE3 MET 1 3.871 3.398 -5.547
12 H ILE 2 H ILE 2 5.758 -1.889 -3.724
13 HA ILE 2 HA ILE 2 8.117 -1.334 -2.041
14 HB ILE 2 HB ILE 2 7.238 -3.814 -1.948
15 HG12 ILE 2 HG12 ILE 2 10.161 -3.378 -2.634
16 HG13 ILE 2 HG13 ILE 2 9.433 -2.773 -1.131
17 HG21 ILE 2 HG21 ILE 2 8.872 -3.897 -4.522
18 HG22 ILE 2 HG22 ILE 2 8.128 -5.271 -3.682
19 HG23 ILE 2 HG23 ILE 2 7.102 -4.046 -4.460
20 HD11 ILE 2 HD11 ILE 2 8.720 -5.029 -0.510
21 HD12 ILE 2 HD12 ILE 2 9.444 -5.689 -1.997
22 HD13 ILE 2 HD13 ILE 2 10.478 -4.957 -0.745
23 H LEU 3 H LEU 3 9.978 -0.819 -3.238
24 HA LEU 3 HA LEU 3 9.620 -0.592 -6.189
25 HB2 LEU 3 HB2 LEU 3 10.568 1.547 -4.249
26 HB3 LEU 3 HB3 LEU 3 10.680 1.674 -6.012
27 HG LEU 3 HG LEU 3 8.029 1.248 -4.549
28 HD11 LEU 3 HD11 LEU 3 9.300 3.831 -5.544
29 HD12 LEU 3 HD12 LEU 3 7.672 3.659 -4.844
30 HD13 LEU 3 HD13 LEU 3 9.101 3.363 -3.834
31 HD21 LEU 3 HD21 LEU 3 7.105 2.123 -6.676
32 HD22 LEU 3 HD22 LEU 3 8.754 2.236 -7.339
33 HD23 LEU 3 HD23 LEU 3 8.054 0.645 -6.955
34 H THR 4 H THR 4 11.552 -0.696 -7.404
35 HA THR 4 HA THR 4 13.839 -1.766 -5.878
36 HB THR 4 HB THR 4 13.599 -1.869 -8.869
37 HG1 THR 4 HG1 THR 4 12.547 -3.829 -8.582
38 HG21 THR 4 HG21 THR 4 14.911 -3.677 -6.796
39 HG22 THR 4 HG22 THR 4 14.980 -3.886 -8.560
40 HG23 THR 4 HG23 THR 4 15.765 -2.486 -7.808
41 H CYS 5 H CYS 5 15.841 -0.870 -5.812
42 HA CYS 5 HA CYS 5 16.052 1.905 -6.621
43 HB2 CYS 5 HB2 CYS 5 16.989 1.085 -4.509
44 HB3 CYS 5 HB3 CYS 5 18.071 -0.007 -5.412
45 HA PRO 6 HA PRO 6 17.896 1.028 -10.615
46 HB2 PRO 6 HB2 PRO 6 18.986 3.791 -10.385
47 HB3 PRO 6 HB3 PRO 6 17.950 3.089 -11.666
48 HG2 PRO 6 HG2 PRO 6 16.970 4.862 -9.821
49 HG3 PRO 6 HG3 PRO 6 15.991 3.493 -10.443
50 HD2 PRO 6 HD2 PRO 6 17.478 3.697 -7.821
51 HD3 PRO 6 HD3 PRO 6 15.859 3.018 -8.174
52 H GLU 7 H GLU 7 19.551 2.018 -7.705
53 HA GLU 7 HA GLU 7 22.200 1.510 -8.984
54 HB2 GLU 7 HB2 GLU 7 21.499 3.070 -6.466
55 HB3 GLU 7 HB3 GLU 7 23.126 2.871 -7.138
56 HG2 GLU 7 HG2 GLU 7 20.780 4.198 -8.570
57 HG3 GLU 7 HG3 GLU 7 22.068 5.059 -7.717
58 H CYS 8 H CYS 8 20.236 0.839 -6.022
59 HA CYS 8 HA CYS 8 22.270 -1.018 -5.040
60 HB2 CYS 8 HB2 CYS 8 19.411 -0.519 -4.085
61 HB3 CYS 8 HB3 CYS 8 20.642 -1.479 -3.254
62 H ALA 9 H ALA 9 19.668 -1.135 -7.289
63 HA ALA 9 HA ALA 9 18.566 -2.803 -8.355
64 HB1 ALA 9 HB1 ALA 9 21.122 -4.354 -7.774
65 HB2 ALA 9 HB2 ALA 9 19.926 -4.718 -9.045
66 HB3 ALA 9 HB3 ALA 9 20.882 -3.225 -9.129
67 H SER 10 H SER 10 17.890 -2.503 -5.642
68 HA SER 10 HA SER 10 17.100 -5.270 -4.927
69 HB2 SER 10 HB2 SER 10 19.207 -4.671 -3.731
70 HB3 SER 10 HB3 SER 10 18.365 -3.281 -3.005
71 HG SER 10 HG SER 10 18.324 -5.150 -1.660
72 H ARG 11 H ARG 11 15.330 -5.285 -3.323
73 HA ARG 11 HA ARG 11 13.405 -3.196 -4.042
74 HB2 ARG 11 HB2 ARG 11 13.148 -5.798 -2.499
75 HB3 ARG 11 HB3 ARG 11 11.797 -4.710 -2.874
76 HG2 ARG 11 HG2 ARG 11 12.355 -4.923 -5.314
77 HG3 ARG 11 HG3 ARG 11 13.586 -6.131 -4.896
78 HD2 ARG 11 HD2 ARG 11 10.621 -6.326 -4.238
79 HD3 ARG 11 HD3 ARG 11 11.428 -7.164 -5.578
80 HE ARG 11 HE ARG 11 12.904 -8.095 -3.575
81 HH11 ARG 11 HH11 ARG 11 9.406 -7.660 -3.735
82 HH12 ARG 11 HH12 ARG 11 9.067 -8.936 -2.585
83 HH21 ARG 11 HH21 ARG 11 12.448 -9.755 -2.079
84 HH22 ARG 11 HH22 ARG 11 10.794 -10.122 -1.651
85 H TYR 12 H TYR 12 12.186 -1.981 -2.602
86 HA TYR 12 HA TYR 12 12.787 -2.048 0.244
87 HB2 TYR 12 HB2 TYR 12 14.559 -0.619 -0.321
88 HB3 TYR 12 HB3 TYR 12 13.589 0.259 -1.506
89 HD1 TYR 12 HD1 TYR 12 14.116 -0.283 2.125
90 HD2 TYR 12 HD2 TYR 12 12.206 2.106 -0.894
91 HE1 TYR 12 HE1 TYR 12 13.548 1.426 3.841
92 HE2 TYR 12 HE2 TYR 12 11.662 3.834 0.805
93 HH TYR 12 HH TYR 12 12.562 3.461 4.256
94 H PHE 13 H PHE 13 11.139 -1.279 1.542
95 HA PHE 13 HA PHE 13 8.693 -0.819 -0.045
96 HB2 PHE 13 HB2 PHE 13 7.537 -1.835 2.008
97 HB3 PHE 13 HB3 PHE 13 8.405 -2.869 0.880
98 HD1 PHE 13 HD1 PHE 13 8.472 -1.384 4.255
99 HD2 PHE 13 HD2 PHE 13 10.447 -4.021 1.492
100 HE1 PHE 13 HE1 PHE 13 9.867 -2.282 6.106
101 HE2 PHE 13 HE2 PHE 13 11.837 -4.921 3.344
102 HZ PHE 13 HZ PHE 13 11.546 -4.050 5.650
103 H VAL 14 H VAL 14 7.021 0.458 0.514
104 HA VAL 14 HA VAL 14 7.305 2.294 2.794
105 HB VAL 14 HB VAL 14 6.918 4.266 1.414
106 HG11 VAL 14 HG11 VAL 14 9.293 2.696 0.327
107 HG12 VAL 14 HG12 VAL 14 9.101 4.461 0.335
108 HG13 VAL 14 HG13 VAL 14 9.270 3.592 1.871
109 HG21 VAL 14 HG21 VAL 14 5.694 3.225 -0.448
110 HG22 VAL 14 HG22 VAL 14 7.069 4.175 -1.039
111 HG23 VAL 14 HG23 VAL 14 7.185 2.402 -0.979
112 H ASP 15 H ASP 15 5.256 3.461 3.214
113 HA ASP 15 HA ASP 15 3.009 1.740 2.931
114 HB2 ASP 15 HB2 ASP 15 3.218 4.639 3.792
115 HB3 ASP 15 HB3 ASP 15 1.734 3.678 3.877
116 H ASP 16 H ASP 16 0.972 2.127 1.870
117 HA ASP 16 HA ASP 16 1.357 2.817 -0.879
118 HB2 ASP 16 HB2 ASP 16 -1.170 2.514 -0.963
119 HB3 ASP 16 HB3 ASP 16 -0.168 1.115 -0.508
120 H SER 17 H SER 17 0.425 4.710 1.851
121 HA SER 17 HA SER 17 -1.019 6.722 0.350
122 HB2 SER 17 HB2 SER 17 -0.928 7.976 2.464
123 HB3 SER 17 HB3 SER 17 -1.401 6.286 2.757
124 HG SER 17 HG SER 17 0.231 6.998 4.202
125 H LYS 18 H LYS 18 2.306 5.934 0.606
126 HA LYS 18 HA LYS 18 3.330 8.660 0.517
127 HB2 LYS 18 HB2 LYS 18 4.716 6.016 -0.070
128 HB3 LYS 18 HB3 LYS 18 5.504 7.573 0.242
129 HG2 LYS 18 HG2 LYS 18 3.774 6.023 2.210
130 HG3 LYS 18 HG3 LYS 18 5.541 6.151 2.247
131 HD2 LYS 18 HD2 LYS 18 5.341 8.619 2.530
132 HD3 LYS 18 HD3 LYS 18 3.567 8.447 2.587
133 HE2 LYS 18 HE2 LYS 18 3.764 6.960 4.542
134 HE3 LYS 18 HE3 LYS 18 5.528 7.095 4.485
135 HZ1 LYS 18 HZ1 LYS 18 4.558 8.589 6.085
136 HZ2 LYS 18 HZ2 LYS 18 5.295 9.446 4.887
137 HZ3 LYS 18 HZ3 LYS 18 3.652 9.321 4.928
138 H VAL 19 H VAL 19 1.792 6.694 -1.771
139 HA VAL 19 HA VAL 19 2.877 8.348 -3.967
140 HB VAL 19 HB VAL 19 2.688 5.319 -4.128
141 HG11 VAL 19 HG11 VAL 19 3.690 7.425 -6.082
142 HG12 VAL 19 HG12 VAL 19 3.826 5.664 -6.303
143 HG13 VAL 19 HG13 VAL 19 2.225 6.430 -6.259
144 HG21 VAL 19 HG21 VAL 19 4.621 5.947 -2.747
145 HG22 VAL 19 HG22 VAL 19 5.171 5.412 -4.344
146 HG23 VAL 19 HG23 VAL 19 5.125 7.145 -3.970
147 H GLY 20 H GLY 20 1.431 8.694 -5.673
148 HA2 GLY 20 HA2 GLY 20 -1.332 7.623 -5.261
149 HA3 GLY 20 HA3 GLY 20 -1.023 9.327 -5.609
150 HA PRO 21 HA PRO 21 -1.587 6.861 -9.550
151 HB2 PRO 21 HB2 PRO 21 -3.845 8.117 -10.473
152 HB3 PRO 21 HB3 PRO 21 -3.894 6.737 -9.326
153 HG2 PRO 21 HG2 PRO 21 -4.125 9.690 -8.732
154 HG3 PRO 21 HG3 PRO 21 -5.090 8.335 -8.064
155 HD2 PRO 21 HD2 PRO 21 -2.952 9.479 -6.744
156 HD3 PRO 21 HD3 PRO 21 -3.397 7.761 -6.544
157 H ASP 22 H ASP 22 -1.492 10.252 -8.627
158 HA ASP 22 HA ASP 22 -0.845 11.205 -11.323
159 HB2 ASP 22 HB2 ASP 22 -2.075 12.509 -9.515
160 HB3 ASP 22 HB3 ASP 22 -0.545 12.589 -8.623
161 H GLY 23 H GLY 23 0.743 9.361 -9.041
162 HA2 GLY 23 HA2 GLY 23 2.945 8.658 -9.018
163 HA3 GLY 23 HA3 GLY 23 3.392 9.963 -10.130
164 H ARG 24 H ARG 24 4.895 9.211 -7.836
165 HA ARG 24 HA ARG 24 5.081 11.794 -6.475
166 HB2 ARG 24 HB2 ARG 24 3.316 10.144 -5.323
167 HB3 ARG 24 HB3 ARG 24 4.781 9.396 -4.672
168 HG2 ARG 24 HG2 ARG 24 4.086 12.362 -4.410
169 HG3 ARG 24 HG3 ARG 24 3.707 11.134 -3.189
170 HD2 ARG 24 HD2 ARG 24 6.164 10.584 -3.082
171 HD3 ARG 24 HD3 ARG 24 6.465 12.001 -4.118
172 HE ARG 24 HE ARG 24 4.973 13.074 -2.113
173 HH11 ARG 24 HH11 ARG 24 7.887 11.075 -2.154
174 HH12 ARG 24 HH12 ARG 24 8.477 11.696 -0.629
175 HH21 ARG 24 HH21 ARG 24 5.770 13.874 -0.131
176 HH22 ARG 24 HH22 ARG 24 7.295 13.288 0.498
177 H VAL 25 H VAL 25 7.224 12.144 -5.948
178 HA VAL 25 HA VAL 25 9.169 10.204 -6.805
179 HB VAL 25 HB VAL 25 9.369 12.707 -6.976
180 HG11 VAL 25 HG11 VAL 25 10.085 12.458 -4.024
181 HG12 VAL 25 HG12 VAL 25 10.194 13.926 -5.028
182 HG13 VAL 25 HG13 VAL 25 8.606 13.211 -4.657
183 HG21 VAL 25 HG21 VAL 25 11.644 11.287 -5.523
184 HG22 VAL 25 HG22 VAL 25 11.308 11.181 -7.268
185 HG23 VAL 25 HG23 VAL 25 11.781 12.732 -6.540
186 H VAL 26 H VAL 26 10.789 9.144 -5.607
187 HA VAL 26 HA VAL 26 10.281 8.895 -2.695
188 HB VAL 26 HB VAL 26 10.381 6.536 -2.727
189 HG11 VAL 26 HG11 VAL 26 8.729 7.322 -5.168
190 HG12 VAL 26 HG12 VAL 26 8.509 5.879 -4.148
191 HG13 VAL 26 HG13 VAL 26 8.192 7.496 -3.482
192 HG21 VAL 26 HG21 VAL 26 12.196 6.257 -4.371
193 HG22 VAL 26 HG22 VAL 26 10.817 5.220 -4.776
194 HG23 VAL 26 HG23 VAL 26 11.089 6.724 -5.685
195 H ARG 27 H ARG 27 12.176 7.590 -1.639
196 HA ARG 27 HA ARG 27 14.745 8.265 -2.958
197 HB2 ARG 27 HB2 ARG 27 15.598 9.268 -0.910
198 HB3 ARG 27 HB3 ARG 27 14.169 10.150 -1.476
199 HG2 ARG 27 HG2 ARG 27 12.762 8.960 0.173
200 HG3 ARG 27 HG3 ARG 27 14.180 8.045 0.736
201 HD2 ARG 27 HD2 ARG 27 15.298 10.168 1.345
202 HD3 ARG 27 HD3 ARG 27 13.873 11.071 0.798
203 HE ARG 27 HE ARG 27 12.694 10.400 2.707
204 HH11 ARG 27 HH11 ARG 27 15.807 8.738 2.521
205 HH12 ARG 27 HH12 ARG 27 15.733 8.151 4.166
206 HH21 ARG 27 HH21 ARG 27 12.616 9.636 4.853
207 HH22 ARG 27 HH22 ARG 27 13.922 8.663 5.488
208 H CYS 28 H CYS 28 16.497 7.017 -2.338
209 HA CYS 28 HA CYS 28 15.785 4.341 -1.420
210 HB2 CYS 28 HB2 CYS 28 17.283 4.836 -3.367
211 HB3 CYS 28 HB3 CYS 28 18.472 5.522 -2.242
212 H ALA 29 H ALA 29 16.301 3.418 0.513
213 HA ALA 29 HA ALA 29 17.349 5.110 2.649
214 HB1 ALA 29 HB1 ALA 29 16.924 3.122 4.038
215 HB2 ALA 29 HB2 ALA 29 15.504 3.526 3.031
216 HB3 ALA 29 HB3 ALA 29 16.573 2.173 2.579
217 H SER 30 H SER 30 18.791 3.249 0.175
218 HA SER 30 HA SER 30 21.033 2.420 1.952
219 HB2 SER 30 HB2 SER 30 19.916 1.234 -0.604
220 HB3 SER 30 HB3 SER 30 21.457 0.731 0.123
221 HG SER 30 HG SER 30 19.664 -0.540 0.819
222 H CYS 31 H CYS 31 20.254 4.489 -0.769
223 HA CYS 31 HA CYS 31 23.096 5.246 -0.787
224 HB2 CYS 31 HB2 CYS 31 23.415 5.038 -3.145
225 HB3 CYS 31 HB3 CYS 31 22.841 3.472 -2.531
226 H GLY 32 H GLY 32 19.851 6.162 -0.806
227 HA2 GLY 32 HA2 GLY 32 19.062 8.315 -0.520
228 HA3 GLY 32 HA3 GLY 32 20.685 8.945 -0.857
229 H ASN 33 H ASN 33 19.878 6.820 -3.345
230 HA ASN 33 HA ASN 33 19.583 8.840 -5.323
231 HB2 ASN 33 HB2 ASN 33 20.400 6.470 -5.638
232 HB3 ASN 33 HB3 ASN 33 18.733 5.917 -5.442
233 HD21 ASN 33 HD22 ASN 33 18.658 5.054 -7.564
234 HD22 ASN 33 HD21 ASN 33 18.565 6.088 -8.976
235 H ARG 34 H ARG 34 17.700 9.365 -6.627
236 HA ARG 34 HA ARG 34 15.094 8.779 -5.318
237 HB2 ARG 34 HB2 ARG 34 16.053 11.526 -6.199
238 HB3 ARG 34 HB3 ARG 34 14.431 11.132 -5.583
239 HG2 ARG 34 HG2 ARG 34 15.481 10.351 -3.444
240 HG3 ARG 34 HG3 ARG 34 17.057 10.903 -4.054
241 HD2 ARG 34 HD2 ARG 34 14.599 12.653 -3.672
242 HD3 ARG 34 HD3 ARG 34 15.990 12.581 -2.576
243 HE ARG 34 HE ARG 34 17.379 13.370 -4.530
244 HH11 ARG 34 HH11 ARG 34 13.915 14.097 -4.354
245 HH12 ARG 34 HH12 ARG 34 14.053 15.526 -5.353
246 HH21 ARG 34 HH21 ARG 34 17.512 15.234 -5.833
247 HH22 ARG 34 HH22 ARG 34 16.076 16.168 -6.183
248 H TRP 35 H TRP 35 13.312 8.728 -6.654
249 HA TRP 35 HA TRP 35 13.474 9.477 -9.463
250 HB2 TRP 35 HB2 TRP 35 13.128 7.247 -10.359
251 HB3 TRP 35 HB3 TRP 35 14.658 7.303 -9.487
252 HD1 TRP 35 HD1 TRP 35 11.255 5.668 -9.461
253 HE1 TRP 35 HE1 TRP 35 11.144 3.818 -7.722
254 HE3 TRP 35 HE3 TRP 35 15.722 6.519 -7.116
255 HZ2 TRP 35 HZ2 TRP 35 12.794 2.807 -5.571
256 HZ3 TRP 35 HZ3 TRP 35 16.424 5.084 -5.233
257 HH2 TRP 35 HH2 TRP 35 14.978 3.230 -4.448
258 H THR 36 H THR 36 11.353 9.144 -10.538
259 HA THR 36 HA THR 36 9.209 9.547 -8.662
260 HB THR 36 HB THR 36 8.718 9.151 -11.584
261 HG1 THR 36 HG1 THR 36 9.384 11.278 -11.898
262 HG21 THR 36 HG21 THR 36 7.114 10.992 -11.145
263 HG22 THR 36 HG22 THR 36 6.825 9.611 -10.071
264 HG23 THR 36 HG23 THR 36 7.659 11.060 -9.454
265 H ALA 37 H ALA 37 7.529 8.286 -8.054
266 HA ALA 37 HA ALA 37 7.434 5.521 -9.171
267 HB1 ALA 37 HB1 ALA 37 6.874 6.442 -6.325
268 HB2 ALA 37 HB2 ALA 37 6.741 4.778 -6.931
269 HB3 ALA 37 HB3 ALA 37 8.332 5.572 -6.866
270 H PHE 38 H PHE 38 5.217 4.520 -8.888
271 HA PHE 38 HA PHE 38 3.031 6.430 -8.634
272 HB2 PHE 38 HB2 PHE 38 2.054 5.576 -10.862
273 HB3 PHE 38 HB3 PHE 38 3.265 6.859 -10.845
274 HD1 PHE 38 HD1 PHE 38 2.685 3.291 -11.632
275 HD2 PHE 38 HD2 PHE 38 5.495 6.547 -11.727
276 HE1 PHE 38 HE1 PHE 38 4.138 1.995 -13.171
277 HE2 PHE 38 HE2 PHE 38 6.945 5.250 -13.259
278 HZ PHE 38 HZ PHE 38 6.260 2.974 -13.988
279 H LYS 39 H LYS 39 0.945 5.581 -8.373
280 HA LYS 39 HA LYS 39 0.963 3.155 -6.843
281 HB2 LYS 39 HB2 LYS 39 -0.519 5.096 -6.383
282 HB3 LYS 39 HB3 LYS 39 -1.350 4.823 -7.922
283 HG2 LYS 39 HG2 LYS 39 -2.660 3.878 -6.096
284 HG3 LYS 39 HG3 LYS 39 -2.076 2.594 -7.161
285 HD2 LYS 39 HD2 LYS 39 -1.867 1.998 -4.763
286 HD3 LYS 39 HD3 LYS 39 -0.302 2.016 -5.588
287 HE2 LYS 39 HE2 LYS 39 -0.093 3.078 -3.400
288 HE3 LYS 39 HE3 LYS 39 0.160 4.272 -4.680
289 HZ1 LYS 39 HZ1 LYS 39 -1.255 5.109 -2.955
290 HZ2 LYS 39 HZ2 LYS 39 -2.098 5.011 -4.363
291 HZ3 LYS 39 HZ3 LYS 39 -2.340 3.890 -3.178
292 H ASP 40 H ASP 40 -0.045 1.156 -7.271
293 HA ASP 40 HA ASP 40 -1.103 0.622 -9.970
294 HB2 ASP 40 HB2 ASP 40 1.397 0.410 -10.104
295 HB3 ASP 40 HB3 ASP 40 1.337 -0.810 -8.823
296 H GLU 41 H GLU 41 -0.546 -0.169 -6.585
297 HA GLU 41 HA GLU 41 -1.886 -2.697 -6.521
298 HB2 GLU 41 HB2 GLU 41 -1.359 -0.558 -4.407
299 HB3 GLU 41 HB3 GLU 41 -2.125 -2.112 -4.074
300 HG2 GLU 41 HG2 GLU 41 0.104 -2.549 -3.578
301 HG3 GLU 41 HG3 GLU 41 -0.043 -3.178 -5.223
302 H ALA 42 H ALA 42 -3.037 0.533 -6.970
303 HA ALA 42 HA ALA 42 -5.808 -0.346 -6.661
304 HB1 ALA 42 HB1 ALA 42 -4.662 1.924 -4.981
305 HB2 ALA 42 HB2 ALA 42 -6.364 1.400 -5.023
306 HB3 ALA 42 HB3 ALA 42 -5.110 0.317 -4.368
307 H GLU 43 H GLU 43 -3.997 0.571 -8.821
308 HA GLU 43 HA GLU 43 -5.781 2.612 -9.927
309 HB2 GLU 43 HB2 GLU 43 -4.130 4.030 -8.874
310 HB3 GLU 43 HB3 GLU 43 -2.806 3.017 -9.460
311 HG2 GLU 43 HG2 GLU 43 -2.905 5.042 -10.781
312 HG3 GLU 43 HG3 GLU 43 -3.324 3.660 -11.799
313 H LEU 44 H LEU 44 -5.881 2.559 -12.159
314 HA LEU 44 HA LEU 44 -5.866 1.624 -14.189
315 HB2 LEU 44 HB2 LEU 44 -3.583 2.521 -14.171
316 HB3 LEU 44 HB3 LEU 44 -2.960 1.003 -13.518
317 HG LEU 44 HG LEU 44 -3.608 -0.189 -15.575
318 HD11 LEU 44 HD11 LEU 44 -4.412 1.134 -17.536
319 HD12 LEU 44 HD12 LEU 44 -5.602 1.130 -16.221
320 HD13 LEU 44 HD13 LEU 44 -4.581 2.562 -16.488
321 HD21 LEU 44 HD21 LEU 44 -1.404 0.904 -15.433
322 HD22 LEU 44 HD22 LEU 44 -2.024 0.913 -17.100
323 HD23 LEU 44 HD23 LEU 44 -2.096 2.395 -16.117
324 H GLU 45 H GLU 45 -5.738 -0.244 -11.469
325 HA GLU 45 HA GLU 45 -6.469 -2.684 -12.981
326 HB2 GLU 45 HB2 GLU 45 -4.421 -2.551 -10.732
327 HB3 GLU 45 HB3 GLU 45 -5.130 -4.052 -11.343
328 HG2 GLU 45 HG2 GLU 45 -3.524 -2.078 -13.019
329 HG3 GLU 45 HG3 GLU 45 -2.888 -3.570 -12.305
330 H LEU 46 H LEU 46 -7.651 -4.231 -11.619
331 HA LEU 46 HA LEU 46 -9.463 -4.671 -10.330
332 HB2 LEU 46 HB2 LEU 46 -8.082 -2.928 -8.267
333 HB3 LEU 46 HB3 LEU 46 -9.272 -4.210 -7.960
334 HG LEU 46 HG LEU 46 -6.499 -4.621 -9.165
335 HD11 LEU 46 HD11 LEU 46 -6.454 -4.020 -6.772
336 HD12 LEU 46 HD12 LEU 46 -7.652 -5.286 -6.423
337 HD13 LEU 46 HD13 LEU 46 -6.032 -5.733 -7.004
338 HD21 LEU 46 HD21 LEU 46 -8.102 -6.291 -9.994
339 HD22 LEU 46 HD22 LEU 46 -7.015 -7.033 -8.799
340 HD23 LEU 46 HD23 LEU 46 -8.672 -6.592 -8.328
341 H VAL 47 H VAL 47 -9.460 -2.148 -12.016
342 HA VAL 47 HA VAL 47 -11.033 -0.190 -10.645
343 HB VAL 47 HB VAL 47 -11.363 0.798 -12.826
344 HG11 VAL 47 HG11 VAL 47 -8.596 -0.481 -12.705
345 HG12 VAL 47 HG12 VAL 47 -9.047 1.017 -13.554
346 HG13 VAL 47 HG13 VAL 47 -9.102 0.948 -11.775
347 HG21 VAL 47 HG21 VAL 47 -10.285 -1.816 -13.959
348 HG22 VAL 47 HG22 VAL 47 -11.954 -1.220 -14.115
349 HG23 VAL 47 HG23 VAL 47 -10.617 -0.344 -14.894
350 HA PRO 48 HA PRO 48 -15.013 -2.054 -10.761
351 HB2 PRO 48 HB2 PRO 48 -16.657 0.135 -10.683
352 HB3 PRO 48 HB3 PRO 48 -15.627 -0.346 -9.298
353 HG2 PRO 48 HG2 PRO 48 -15.081 1.771 -11.395
354 HG3 PRO 48 HG3 PRO 48 -14.858 1.869 -9.617
355 HD2 PRO 48 HD2 PRO 48 -12.800 1.315 -11.360
356 HD3 PRO 48 HD3 PRO 48 -12.860 0.653 -9.701
357 H ARG 49 H ARG 49 -13.813 -0.171 -13.365
358 HA ARG 49 HA ARG 49 -16.143 -0.048 -15.026
359 HB2 ARG 49 HB2 ARG 49 -14.206 1.392 -15.370
360 HB3 ARG 49 HB3 ARG 49 -13.170 -0.012 -15.692
361 HG2 ARG 49 HG2 ARG 49 -14.508 -0.564 -17.693
362 HG3 ARG 49 HG3 ARG 49 -15.594 0.803 -17.349
363 HD2 ARG 49 HD2 ARG 49 -13.673 2.364 -17.551
364 HD3 ARG 49 HD3 ARG 49 -12.602 1.003 -17.913
365 HE ARG 49 HE ARG 49 -13.564 0.764 -20.041
366 HH11 ARG 49 HH11 ARG 49 -15.170 3.317 -18.181
367 HH12 ARG 49 HH12 ARG 49 -15.931 4.017 -19.591
368 HH21 ARG 49 HH21 ARG 49 -14.585 1.692 -21.850
369 HH22 ARG 49 HH22 ARG 49 -15.619 3.090 -21.655
Start of MODEL 16
1 H1 MET 1 H1 MET 1 2.237 -1.204 -0.410
2 H2 MET 1 H2 MET 1 3.584 -0.418 0.119
3 H3 MET 1 H3 MET 1 3.520 -2.055 0.183
4 HA MET 1 HA MET 1 3.477 -2.243 -2.179
5 HB2 MET 1 HB2 MET 1 3.742 -0.258 -3.578
6 HB3 MET 1 HB3 MET 1 2.279 -0.117 -2.593
7 HG2 MET 1 HG2 MET 1 3.584 1.248 -0.935
8 HG3 MET 1 HG3 MET 1 4.964 1.207 -2.035
9 HE1 MET 1 HE1 MET 1 3.675 1.527 -4.915
10 HE2 MET 1 HE2 MET 1 3.768 3.297 -5.084
11 HE3 MET 1 HE3 MET 1 5.103 2.411 -4.320
12 H ILE 2 H ILE 2 5.498 -1.900 -3.594
13 HA ILE 2 HA ILE 2 7.864 -1.326 -1.916
14 HB ILE 2 HB ILE 2 7.056 -3.825 -1.953
15 HG12 ILE 2 HG12 ILE 2 9.952 -3.280 -2.637
16 HG13 ILE 2 HG13 ILE 2 9.221 -2.780 -1.094
17 HG21 ILE 2 HG21 ILE 2 8.670 -3.736 -4.539
18 HG22 ILE 2 HG22 ILE 2 7.955 -5.165 -3.780
19 HG23 ILE 2 HG23 ILE 2 6.899 -3.914 -4.474
20 HD11 ILE 2 HD11 ILE 2 10.311 -4.957 -0.833
21 HD12 ILE 2 HD12 ILE 2 8.550 -5.095 -0.622
22 HD13 ILE 2 HD13 ILE 2 9.311 -5.636 -2.139
23 H LEU 3 H LEU 3 9.749 -0.798 -3.097
24 HA LEU 3 HA LEU 3 9.396 -0.388 -6.025
25 HB2 LEU 3 HB2 LEU 3 10.393 1.608 -3.959
26 HB3 LEU 3 HB3 LEU 3 10.527 1.839 -5.709
27 HG LEU 3 HG LEU 3 7.866 1.409 -4.272
28 HD11 LEU 3 HD11 LEU 3 9.172 3.989 -5.202
29 HD12 LEU 3 HD12 LEU 3 7.546 3.825 -4.498
30 HD13 LEU 3 HD13 LEU 3 8.984 3.478 -3.505
31 HD21 LEU 3 HD21 LEU 3 8.601 2.451 -7.044
32 HD22 LEU 3 HD22 LEU 3 7.859 0.872 -6.701
33 HD23 LEU 3 HD23 LEU 3 6.953 2.365 -6.382
34 H THR 4 H THR 4 11.320 -0.458 -7.239
35 HA THR 4 HA THR 4 13.607 -1.639 -5.776
36 HB THR 4 HB THR 4 13.304 -1.745 -8.757
37 HG1 THR 4 HG1 THR 4 12.185 -3.676 -8.447
38 HG21 THR 4 HG21 THR 4 14.551 -3.607 -6.687
39 HG22 THR 4 HG22 THR 4 14.591 -3.829 -8.450
40 HG23 THR 4 HG23 THR 4 15.444 -2.459 -7.713
41 H CYS 5 H CYS 5 15.627 -0.799 -5.753
42 HA CYS 5 HA CYS 5 15.882 1.971 -6.556
43 HB2 CYS 5 HB2 CYS 5 16.874 1.127 -4.486
44 HB3 CYS 5 HB3 CYS 5 17.883 0.000 -5.412
45 HA PRO 6 HA PRO 6 17.550 1.081 -10.631
46 HB2 PRO 6 HB2 PRO 6 18.712 3.818 -10.394
47 HB3 PRO 6 HB3 PRO 6 17.636 3.157 -11.660
48 HG2 PRO 6 HG2 PRO 6 16.725 4.920 -9.781
49 HG3 PRO 6 HG3 PRO 6 15.703 3.569 -10.374
50 HD2 PRO 6 HD2 PRO 6 17.282 3.740 -7.804
51 HD3 PRO 6 HD3 PRO 6 15.643 3.086 -8.101
52 H GLU 7 H GLU 7 19.335 1.974 -7.770
53 HA GLU 7 HA GLU 7 21.926 1.418 -9.153
54 HB2 GLU 7 HB2 GLU 7 21.365 2.977 -6.601
55 HB3 GLU 7 HB3 GLU 7 22.962 2.725 -7.318
56 HG2 GLU 7 HG2 GLU 7 20.631 4.134 -8.693
57 HG3 GLU 7 HG3 GLU 7 21.953 4.955 -7.860
58 H CYS 8 H CYS 8 20.048 0.762 -6.139
59 HA CYS 8 HA CYS 8 22.071 -1.143 -5.237
60 HB2 CYS 8 HB2 CYS 8 19.264 -0.578 -4.179
61 HB3 CYS 8 HB3 CYS 8 20.491 -1.592 -3.407
62 H ALA 9 H ALA 9 19.368 -1.180 -7.370
63 HA ALA 9 HA ALA 9 18.191 -2.805 -8.422
64 HB1 ALA 9 HB1 ALA 9 20.726 -4.428 -7.962
65 HB2 ALA 9 HB2 ALA 9 19.462 -4.760 -9.171
66 HB3 ALA 9 HB3 ALA 9 20.451 -3.287 -9.299
67 H SER 10 H SER 10 17.705 -2.523 -5.641
68 HA SER 10 HA SER 10 16.836 -5.274 -4.940
69 HB2 SER 10 HB2 SER 10 18.994 -4.731 -3.803
70 HB3 SER 10 HB3 SER 10 18.216 -3.328 -3.050
71 HG SER 10 HG SER 10 18.169 -5.201 -1.709
72 H ARG 11 H ARG 11 15.076 -5.294 -3.379
73 HA ARG 11 HA ARG 11 13.214 -3.118 -4.004
74 HB2 ARG 11 HB2 ARG 11 12.878 -5.790 -2.602
75 HB3 ARG 11 HB3 ARG 11 11.560 -4.638 -2.909
76 HG2 ARG 11 HG2 ARG 11 12.099 -4.724 -5.356
77 HG3 ARG 11 HG3 ARG 11 13.311 -5.980 -5.016
78 HD2 ARG 11 HD2 ARG 11 11.553 -7.419 -4.042
79 HD3 ARG 11 HD3 ARG 11 10.348 -6.162 -4.334
80 HE ARG 11 HE ARG 11 10.395 -6.614 -6.642
81 HH11 ARG 11 HH11 ARG 11 12.761 -8.579 -4.901
82 HH12 ARG 11 HH12 ARG 11 13.016 -9.673 -6.242
83 HH21 ARG 11 HH21 ARG 11 10.746 -8.053 -8.373
84 HH22 ARG 11 HH22 ARG 11 11.865 -9.385 -8.198
85 H TYR 12 H TYR 12 12.002 -1.970 -2.500
86 HA TYR 12 HA TYR 12 12.606 -2.184 0.343
87 HB2 TYR 12 HB2 TYR 12 14.372 -0.724 -0.172
88 HB3 TYR 12 HB3 TYR 12 13.371 0.231 -1.277
89 HD1 TYR 12 HD2 TYR 12 14.090 -0.476 2.289
90 HD2 TYR 12 HD1 TYR 12 11.881 1.954 -0.494
91 HE1 TYR 12 HE2 TYR 12 13.549 1.118 4.115
92 HE2 TYR 12 HE1 TYR 12 11.368 3.569 1.319
93 HH TYR 12 HH TYR 12 12.495 3.065 4.681
94 H PHE 13 H PHE 13 10.920 -1.599 1.652
95 HA PHE 13 HA PHE 13 8.486 -1.068 0.084
96 HB2 PHE 13 HB2 PHE 13 7.326 -2.095 2.115
97 HB3 PHE 13 HB3 PHE 13 8.218 -3.120 0.999
98 HD1 PHE 13 HD2 PHE 13 8.290 -1.611 4.377
99 HD2 PHE 13 HD1 PHE 13 10.221 -4.298 1.629
100 HE1 PHE 13 HE2 PHE 13 9.680 -2.505 6.224
101 HE2 PHE 13 HE1 PHE 13 11.589 -5.213 3.485
102 HZ PHE 13 HZ PHE 13 11.328 -4.312 5.778
103 H VAL 14 H VAL 14 6.799 0.194 0.673
104 HA VAL 14 HA VAL 14 7.109 2.044 2.940
105 HB VAL 14 HB VAL 14 6.690 4.011 1.544
106 HG11 VAL 14 HG11 VAL 14 9.056 2.436 0.443
107 HG12 VAL 14 HG12 VAL 14 8.859 4.199 0.429
108 HG13 VAL 14 HG13 VAL 14 9.052 3.348 1.975
109 HG21 VAL 14 HG21 VAL 14 5.445 2.943 -0.285
110 HG22 VAL 14 HG22 VAL 14 6.817 3.870 -0.924
111 HG23 VAL 14 HG23 VAL 14 6.925 2.103 -0.821
112 H ASP 15 H ASP 15 5.053 3.285 3.297
113 HA ASP 15 HA ASP 15 2.781 1.570 3.068
114 HB2 ASP 15 HB2 ASP 15 3.041 4.484 3.851
115 HB3 ASP 15 HB3 ASP 15 1.528 3.569 3.932
116 H ASP 16 H ASP 16 0.780 1.899 1.957
117 HA ASP 16 HA ASP 16 1.204 2.547 -0.789
118 HB2 ASP 16 HB2 ASP 16 -1.339 2.236 -0.900
119 HB3 ASP 16 HB3 ASP 16 -0.336 0.853 -0.418
120 H SER 17 H SER 17 0.268 4.513 1.872
121 HA SER 17 HA SER 17 -1.149 6.501 0.301
122 HB2 SER 17 HB2 SER 17 -1.086 7.808 2.383
123 HB3 SER 17 HB3 SER 17 -1.575 6.132 2.718
124 HG SER 17 HG SER 17 0.037 6.874 4.163
125 H LYS 18 H LYS 18 2.155 5.682 0.566
126 HA LYS 18 HA LYS 18 3.198 8.404 0.473
127 HB2 LYS 18 HB2 LYS 18 4.564 5.739 -0.052
128 HB3 LYS 18 HB3 LYS 18 5.372 7.294 0.205
129 HG2 LYS 18 HG2 LYS 18 3.628 5.822 2.230
130 HG3 LYS 18 HG3 LYS 18 5.399 5.945 2.255
131 HD2 LYS 18 HD2 LYS 18 5.190 8.431 2.461
132 HD3 LYS 18 HD3 LYS 18 3.421 8.253 2.540
133 HE2 LYS 18 HE2 LYS 18 3.656 6.802 4.527
134 HE3 LYS 18 HE3 LYS 18 5.417 6.985 4.457
135 HZ1 LYS 18 HZ1 LYS 18 3.481 9.169 4.861
136 HZ2 LYS 18 HZ2 LYS 18 4.436 8.508 6.024
137 HZ3 LYS 18 HZ3 LYS 18 5.119 9.344 4.787
138 H VAL 19 H VAL 19 1.700 6.413 -1.818
139 HA VAL 19 HA VAL 19 2.797 8.065 -4.015
140 HB VAL 19 HB VAL 19 2.623 5.040 -4.183
141 HG11 VAL 19 HG11 VAL 19 2.233 6.168 -6.328
142 HG12 VAL 19 HG12 VAL 19 3.683 7.174 -6.082
143 HG13 VAL 19 HG13 VAL 19 3.840 5.422 -6.325
144 HG21 VAL 19 HG21 VAL 19 4.509 5.641 -2.746
145 HG22 VAL 19 HG22 VAL 19 5.116 5.141 -4.333
146 HG23 VAL 19 HG23 VAL 19 5.048 6.868 -3.921
147 H GLY 20 H GLY 20 1.350 8.451 -5.697
148 HA2 GLY 20 HA2 GLY 20 -1.368 7.248 -5.398
149 HA3 GLY 20 HA3 GLY 20 -1.132 8.974 -5.694
150 HA PRO 21 HA PRO 21 -1.444 6.643 -9.748
151 HB2 PRO 21 HB2 PRO 21 -3.697 7.887 -10.711
152 HB3 PRO 21 HB3 PRO 21 -3.750 6.435 -9.657
153 HG2 PRO 21 HG2 PRO 21 -4.131 9.332 -8.886
154 HG3 PRO 21 HG3 PRO 21 -5.059 7.898 -8.345
155 HD2 PRO 21 HD2 PRO 21 -3.029 9.055 -6.877
156 HD3 PRO 21 HD3 PRO 21 -3.407 7.306 -6.788
157 H ASP 22 H ASP 22 -1.574 10.014 -8.678
158 HA ASP 22 HA ASP 22 -0.759 11.096 -11.249
159 HB2 ASP 22 HB2 ASP 22 -0.914 12.244 -8.442
160 HB3 ASP 22 HB3 ASP 22 -0.431 13.176 -9.866
161 H GLY 23 H GLY 23 0.844 9.245 -8.970
162 HA2 GLY 23 HA2 GLY 23 3.068 8.632 -8.939
163 HA3 GLY 23 HA3 GLY 23 3.461 9.950 -10.053
164 H ARG 24 H ARG 24 5.031 9.283 -7.805
165 HA ARG 24 HA ARG 24 5.144 11.871 -6.477
166 HB2 ARG 24 HB2 ARG 24 3.461 10.594 -5.102
167 HB3 ARG 24 HB3 ARG 24 4.685 9.332 -4.858
168 HG2 ARG 24 HG2 ARG 24 4.579 10.808 -2.916
169 HG3 ARG 24 HG3 ARG 24 6.154 10.969 -3.716
170 HD2 ARG 24 HD2 ARG 24 5.401 13.042 -4.812
171 HD3 ARG 24 HD3 ARG 24 3.785 12.850 -4.114
172 HE ARG 24 HE ARG 24 6.271 13.644 -2.704
173 HH11 ARG 24 HH11 ARG 24 2.825 12.881 -2.541
174 HH12 ARG 24 HH12 ARG 24 2.609 13.640 -0.978
175 HH21 ARG 24 HH21 ARG 24 5.971 14.608 -0.655
176 HH22 ARG 24 HH22 ARG 24 4.389 14.616 0.084
177 H VAL 25 H VAL 25 7.245 12.245 -5.645
178 HA VAL 25 HA VAL 25 9.260 10.444 -6.710
179 HB VAL 25 HB VAL 25 9.346 12.972 -6.765
180 HG11 VAL 25 HG11 VAL 25 8.730 13.340 -4.376
181 HG12 VAL 25 HG12 VAL 25 10.269 12.589 -3.884
182 HG13 VAL 25 HG13 VAL 25 10.280 14.105 -4.809
183 HG21 VAL 25 HG21 VAL 25 11.281 11.518 -7.273
184 HG22 VAL 25 HG22 VAL 25 11.781 13.018 -6.464
185 HG23 VAL 25 HG23 VAL 25 11.721 11.499 -5.546
186 H VAL 26 H VAL 26 10.887 9.340 -5.602
187 HA VAL 26 HA VAL 26 10.526 9.030 -2.679
188 HB VAL 26 HB VAL 26 10.558 6.668 -2.761
189 HG11 VAL 26 HG11 VAL 26 8.742 7.573 -5.039
190 HG12 VAL 26 HG12 VAL 26 8.560 6.106 -4.048
191 HG13 VAL 26 HG13 VAL 26 8.350 7.700 -3.307
192 HG21 VAL 26 HG21 VAL 26 10.800 5.380 -4.851
193 HG22 VAL 26 HG22 VAL 26 11.024 6.887 -5.763
194 HG23 VAL 26 HG23 VAL 26 12.231 6.384 -4.563
195 H ARG 27 H ARG 27 12.424 7.791 -1.699
196 HA ARG 27 HA ARG 27 14.931 8.281 -3.194
197 HB2 ARG 27 HB2 ARG 27 14.429 10.334 -1.885
198 HB3 ARG 27 HB3 ARG 27 14.394 9.365 -0.398
199 HG2 ARG 27 HG2 ARG 27 16.744 8.708 -0.743
200 HG3 ARG 27 HG3 ARG 27 16.778 9.599 -2.285
201 HD2 ARG 27 HD2 ARG 27 16.246 11.694 -1.043
202 HD3 ARG 27 HD3 ARG 27 16.337 10.780 0.474
203 HE ARG 27 HE ARG 27 18.657 10.916 -1.415
204 HH11 ARG 27 HH11 ARG 27 17.290 11.451 1.806
205 HH12 ARG 27 HH12 ARG 27 18.841 11.800 2.532
206 HH21 ARG 27 HH21 ARG 27 20.657 11.403 -0.448
207 HH22 ARG 27 HH22 ARG 27 20.743 11.779 1.259
208 H CYS 28 H CYS 28 16.646 6.996 -2.600
209 HA CYS 28 HA CYS 28 15.951 4.430 -1.514
210 HB2 CYS 28 HB2 CYS 28 17.624 5.005 -3.353
211 HB3 CYS 28 HB3 CYS 28 18.732 5.521 -2.073
212 H ALA 29 H ALA 29 16.715 3.420 0.382
213 HA ALA 29 HA ALA 29 17.098 5.229 2.637
214 HB1 ALA 29 HB1 ALA 29 17.032 2.189 2.448
215 HB2 ALA 29 HB2 ALA 29 16.974 3.144 3.946
216 HB3 ALA 29 HB3 ALA 29 15.636 3.247 2.783
217 H SER 30 H SER 30 19.171 3.464 0.448
218 HA SER 30 HA SER 30 21.351 3.513 2.481
219 HB2 SER 30 HB2 SER 30 22.349 1.667 1.173
220 HB3 SER 30 HB3 SER 30 20.750 1.267 1.833
221 HG SER 30 HG SER 30 21.028 0.699 -0.403
222 H CYS 31 H CYS 31 20.907 3.781 -1.125
223 HA CYS 31 HA CYS 31 23.535 5.108 -1.197
224 HB2 CYS 31 HB2 CYS 31 23.559 4.692 -3.514
225 HB3 CYS 31 HB3 CYS 31 22.887 3.228 -2.761
226 H GLY 32 H GLY 32 20.283 6.064 -0.955
227 HA2 GLY 32 HA2 GLY 32 19.506 8.210 -0.649
228 HA3 GLY 32 HA3 GLY 32 21.118 8.837 -1.044
229 H ASN 33 H ASN 33 20.102 6.712 -3.493
230 HA ASN 33 HA ASN 33 19.900 8.729 -5.483
231 HB2 ASN 33 HB2 ASN 33 20.510 6.318 -5.809
232 HB3 ASN 33 HB3 ASN 33 18.823 5.885 -5.515
233 HD21 ASN 33 HD22 ASN 33 18.501 5.016 -7.584
234 HD22 ASN 33 HD21 ASN 33 18.424 6.022 -9.020
235 H ARG 34 H ARG 34 18.043 9.388 -6.735
236 HA ARG 34 HA ARG 34 15.430 9.173 -5.311
237 HB2 ARG 34 HB2 ARG 34 16.495 11.261 -4.605
238 HB3 ARG 34 HB3 ARG 34 16.798 11.706 -6.292
239 HG2 ARG 34 HG2 ARG 34 14.324 11.695 -6.698
240 HG3 ARG 34 HG3 ARG 34 14.076 11.372 -4.966
241 HD2 ARG 34 HD2 ARG 34 15.527 13.781 -6.142
242 HD3 ARG 34 HD3 ARG 34 13.864 13.794 -5.546
243 HE ARG 34 HE ARG 34 16.335 13.684 -3.940
244 HH11 ARG 34 HH11 ARG 34 12.810 13.412 -3.999
245 HH12 ARG 34 HH12 ARG 34 12.638 13.744 -2.291
246 HH21 ARG 34 HH21 ARG 34 16.078 14.116 -1.709
247 HH22 ARG 34 HH22 ARG 34 14.480 14.120 -0.995
248 H TRP 35 H TRP 35 13.677 8.958 -6.617
249 HA TRP 35 HA TRP 35 13.751 9.725 -9.424
250 HB2 TRP 35 HB2 TRP 35 13.459 7.523 -10.343
251 HB3 TRP 35 HB3 TRP 35 14.960 7.541 -9.426
252 HD1 TRP 35 HD1 TRP 35 11.600 5.885 -9.657
253 HE1 TRP 35 HE1 TRP 35 11.363 4.002 -7.966
254 HE3 TRP 35 HE3 TRP 35 15.797 6.786 -6.867
255 HZ2 TRP 35 HZ2 TRP 35 12.791 3.016 -5.649
256 HZ3 TRP 35 HZ3 TRP 35 16.315 5.365 -4.919
257 HH2 TRP 35 HH2 TRP 35 14.836 3.469 -4.307
258 H THR 36 H THR 36 11.608 9.352 -10.452
259 HA THR 36 HA THR 36 9.491 9.685 -8.495
260 HB THR 36 HB THR 36 8.978 9.522 -11.442
261 HG1 THR 36 HG1 THR 36 9.630 11.679 -11.565
262 HG21 THR 36 HG21 THR 36 7.911 11.247 -9.168
263 HG22 THR 36 HG22 THR 36 7.367 11.314 -10.856
264 HG23 THR 36 HG23 THR 36 7.081 9.849 -9.901
265 H ALA 37 H ALA 37 7.702 8.439 -8.085
266 HA ALA 37 HA ALA 37 7.694 5.710 -9.288
267 HB1 ALA 37 HB1 ALA 37 7.053 6.501 -6.418
268 HB2 ALA 37 HB2 ALA 37 6.981 4.858 -7.102
269 HB3 ALA 37 HB3 ALA 37 8.544 5.690 -6.956
270 H PHE 38 H PHE 38 5.495 4.667 -9.140
271 HA PHE 38 HA PHE 38 3.256 6.491 -8.800
272 HB2 PHE 38 HB2 PHE 38 2.373 5.841 -11.132
273 HB3 PHE 38 HB3 PHE 38 3.574 7.129 -10.969
274 HD1 PHE 38 HD2 PHE 38 3.070 3.611 -12.024
275 HD2 PHE 38 HD1 PHE 38 5.783 6.947 -11.868
276 HE1 PHE 38 HE2 PHE 38 4.587 2.460 -13.623
277 HE2 PHE 38 HE1 PHE 38 7.303 5.787 -13.444
278 HZ PHE 38 HZ PHE 38 6.705 3.546 -14.325
279 H LYS 39 H LYS 39 1.227 5.578 -8.568
280 HA LYS 39 HA LYS 39 1.320 2.861 -7.539
281 HB2 LYS 39 HB2 LYS 39 0.077 4.611 -6.403
282 HB3 LYS 39 HB3 LYS 39 -0.937 4.876 -7.830
283 HG2 LYS 39 HG2 LYS 39 -1.987 2.746 -7.629
284 HG3 LYS 39 HG3 LYS 39 -0.766 2.161 -6.475
285 HD2 LYS 39 HD2 LYS 39 -2.666 4.471 -5.898
286 HD3 LYS 39 HD3 LYS 39 -2.956 2.783 -5.408
287 HE2 LYS 39 HE2 LYS 39 -0.827 2.776 -4.159
288 HE3 LYS 39 HE3 LYS 39 -0.533 4.458 -4.627
289 HZ1 LYS 39 HZ1 LYS 39 -2.785 3.503 -2.997
290 HZ2 LYS 39 HZ2 LYS 39 -1.477 4.353 -2.460
291 HZ3 LYS 39 HZ3 LYS 39 -2.557 5.063 -3.474
292 H ASP 40 H ASP 40 0.006 1.114 -8.215
293 HA ASP 40 HA ASP 40 -1.266 1.219 -10.858
294 HB2 ASP 40 HB2 ASP 40 1.226 0.893 -11.253
295 HB3 ASP 40 HB3 ASP 40 1.113 -0.623 -10.342
296 H GLU 41 H GLU 41 -1.785 0.616 -7.875
297 HA GLU 41 HA GLU 41 -2.198 -2.220 -7.665
298 HB2 GLU 41 HB2 GLU 41 -1.800 -0.792 -5.712
299 HB3 GLU 41 HB3 GLU 41 -3.206 0.205 -6.122
300 HG2 GLU 41 HG2 GLU 41 -3.772 -1.260 -4.302
301 HG3 GLU 41 HG3 GLU 41 -4.698 -1.717 -5.739
302 H ALA 42 H ALA 42 -4.017 0.434 -9.046
303 HA ALA 42 HA ALA 42 -6.137 -1.388 -9.897
304 HB1 ALA 42 HB1 ALA 42 -6.897 -0.779 -7.634
305 HB2 ALA 42 HB2 ALA 42 -6.710 0.945 -8.031
306 HB3 ALA 42 HB3 ALA 42 -7.936 -0.035 -8.872
307 H GLU 43 H GLU 43 -7.614 -0.325 -11.420
308 HA GLU 43 HA GLU 43 -6.917 2.357 -12.360
309 HB2 GLU 43 HB2 GLU 43 -5.211 1.023 -13.497
310 HB3 GLU 43 HB3 GLU 43 -6.431 -0.144 -14.024
311 HG2 GLU 43 HG2 GLU 43 -5.860 1.279 -15.886
312 HG3 GLU 43 HG3 GLU 43 -7.524 1.604 -15.414
313 H LEU 44 H LEU 44 -8.864 -0.594 -12.504
314 HA LEU 44 HA LEU 44 -10.930 0.711 -14.133
315 HB2 LEU 44 HB2 LEU 44 -10.934 -2.018 -12.791
316 HB3 LEU 44 HB3 LEU 44 -12.062 -1.447 -14.030
317 HG LEU 44 HG LEU 44 -9.056 -1.824 -14.408
318 HD11 LEU 44 HD11 LEU 44 -11.445 -3.419 -15.424
319 HD12 LEU 44 HD12 LEU 44 -9.740 -3.715 -15.839
320 HD13 LEU 44 HD13 LEU 44 -10.297 -3.942 -14.169
321 HD21 LEU 44 HD21 LEU 44 -9.594 -1.469 -16.817
322 HD22 LEU 44 HD22 LEU 44 -11.273 -1.084 -16.372
323 HD23 LEU 44 HD23 LEU 44 -9.938 -0.027 -15.852
324 H GLU 45 H GLU 45 -10.101 1.521 -11.233
325 HA GLU 45 HA GLU 45 -11.118 2.235 -9.332
326 HB2 GLU 45 HB2 GLU 45 -13.509 2.506 -11.190
327 HB3 GLU 45 HB3 GLU 45 -13.319 3.284 -9.602
328 HG2 GLU 45 HG2 GLU 45 -11.233 4.390 -10.434
329 HG3 GLU 45 HG3 GLU 45 -11.533 3.693 -12.038
330 H LEU 46 H LEU 46 -10.860 -0.451 -9.247
331 HA LEU 46 HA LEU 46 -13.263 -1.935 -8.878
332 HB2 LEU 46 HB2 LEU 46 -10.498 -2.322 -7.653
333 HB3 LEU 46 HB3 LEU 46 -11.804 -3.501 -7.614
334 HG LEU 46 HG LEU 46 -10.382 -4.224 -9.331
335 HD11 LEU 46 HD11 LEU 46 -12.797 -4.208 -9.941
336 HD12 LEU 46 HD12 LEU 46 -12.555 -2.640 -10.755
337 HD13 LEU 46 HD13 LEU 46 -11.721 -4.084 -11.358
338 HD21 LEU 46 HD21 LEU 46 -9.113 -2.078 -9.563
339 HD22 LEU 46 HD22 LEU 46 -9.466 -2.891 -11.099
340 HD23 LEU 46 HD23 LEU 46 -10.419 -1.471 -10.617
341 H VAL 47 H VAL 47 -14.251 -2.685 -6.932
342 HA VAL 47 HA VAL 47 -14.695 -0.598 -5.020
343 HB VAL 47 HB VAL 47 -15.452 -3.543 -4.947
344 HG11 VAL 47 HG11 VAL 47 -15.635 -2.450 -2.725
345 HG12 VAL 47 HG12 VAL 47 -16.616 -1.151 -3.455
346 HG13 VAL 47 HG13 VAL 47 -17.233 -2.816 -3.407
347 HG21 VAL 47 HG21 VAL 47 -16.303 -2.389 -6.960
348 HG22 VAL 47 HG22 VAL 47 -17.627 -2.736 -5.825
349 HG23 VAL 47 HG23 VAL 47 -16.970 -1.089 -5.942
350 HA PRO 48 HA PRO 48 -11.230 -1.509 -2.395
351 HB2 PRO 48 HB2 PRO 48 -11.974 -0.078 -0.165
352 HB3 PRO 48 HB3 PRO 48 -11.335 0.675 -1.665
353 HG2 PRO 48 HG2 PRO 48 -14.214 0.377 -0.778
354 HG3 PRO 48 HG3 PRO 48 -13.411 1.803 -1.514
355 HD2 PRO 48 HD2 PRO 48 -14.945 0.059 -2.959
356 HD3 PRO 48 HD3 PRO 48 -13.519 0.878 -3.661
357 H ARG 49 H ARG 49 -10.701 -2.819 -0.597
358 HA ARG 49 HA ARG 49 -12.682 -4.817 0.066
359 HB2 ARG 49 HB2 ARG 49 -9.786 -4.319 0.795
360 HB3 ARG 49 HB3 ARG 49 -10.740 -5.548 1.642
361 HG2 ARG 49 HG2 ARG 49 -9.503 -6.565 -0.207
362 HG3 ARG 49 HG3 ARG 49 -11.248 -6.684 -0.478
363 HD2 ARG 49 HD2 ARG 49 -11.187 -4.849 -2.072
364 HD3 ARG 49 HD3 ARG 49 -9.482 -4.524 -1.691
365 HE ARG 49 HE ARG 49 -9.089 -6.917 -2.555
366 HH11 ARG 49 HH11 ARG 49 -11.628 -4.778 -3.809
367 HH12 ARG 49 HH12 ARG 49 -11.675 -5.568 -5.363
368 HH21 ARG 49 HH21 ARG 49 -9.164 -7.900 -4.599
369 HH22 ARG 49 HH22 ARG 49 -10.280 -7.320 -5.814
Start of MODEL 17
1 H1 MET 1 H1 MET 1 3.288 -0.634 -0.425
2 H2 MET 1 H2 MET 1 3.104 -2.261 -0.591
3 H3 MET 1 H3 MET 1 1.974 -1.239 -1.216
4 HA MET 1 HA MET 1 3.386 -2.155 -2.925
5 HB2 MET 1 HB2 MET 1 2.356 -0.039 -3.369
6 HB3 MET 1 HB3 MET 1 3.557 0.830 -2.393
7 HG2 MET 1 HG2 MET 1 5.291 0.417 -3.967
8 HG3 MET 1 HG3 MET 1 4.342 -0.821 -4.803
9 HE1 MET 1 HE1 MET 1 3.118 2.761 -3.592
10 HE2 MET 1 HE2 MET 1 4.818 2.973 -4.066
11 HE3 MET 1 HE3 MET 1 3.520 3.727 -5.027
12 H ILE 2 H ILE 2 5.501 -2.203 -3.933
13 HA ILE 2 HA ILE 2 7.725 -1.575 -2.061
14 HB ILE 2 HB ILE 2 6.970 -4.078 -2.322
15 HG12 ILE 2 HG12 ILE 2 9.911 -3.459 -2.726
16 HG13 ILE 2 HG13 ILE 2 9.047 -3.045 -1.225
17 HG21 ILE 2 HG21 ILE 2 8.783 -3.776 -4.754
18 HG22 ILE 2 HG22 ILE 2 8.072 -5.281 -4.135
19 HG23 ILE 2 HG23 ILE 2 7.017 -4.032 -4.837
20 HD11 ILE 2 HD11 ILE 2 10.147 -5.206 -0.978
21 HD12 ILE 2 HD12 ILE 2 8.385 -5.389 -0.919
22 HD13 ILE 2 HD13 ILE 2 9.276 -5.845 -2.393
23 H LEU 3 H LEU 3 9.705 -0.996 -3.065
24 HA LEU 3 HA LEU 3 9.530 -0.298 -5.960
25 HB2 LEU 3 HB2 LEU 3 10.410 1.503 -3.668
26 HB3 LEU 3 HB3 LEU 3 10.605 1.881 -5.385
27 HG LEU 3 HG LEU 3 7.898 1.331 -4.088
28 HD11 LEU 3 HD11 LEU 3 8.970 3.314 -3.087
29 HD12 LEU 3 HD12 LEU 3 9.246 3.978 -4.718
30 HD13 LEU 3 HD13 LEU 3 7.586 3.763 -4.112
31 HD21 LEU 3 HD21 LEU 3 8.716 2.626 -6.723
32 HD22 LEU 3 HD22 LEU 3 7.991 1.009 -6.553
33 HD23 LEU 3 HD23 LEU 3 7.050 2.456 -6.126
34 H THR 4 H THR 4 11.542 -0.209 -7.043
35 HA THR 4 HA THR 4 13.755 -1.449 -5.510
36 HB THR 4 HB THR 4 13.431 -1.891 -8.451
37 HG1 THR 4 HG1 THR 4 12.273 -3.748 -7.933
38 HG21 THR 4 HG21 THR 4 15.565 -2.498 -7.350
39 HG22 THR 4 HG22 THR 4 14.672 -3.515 -6.194
40 HG23 THR 4 HG23 THR 4 14.691 -3.937 -7.921
41 H CYS 5 H CYS 5 15.749 -0.618 -5.543
42 HA CYS 5 HA CYS 5 16.102 2.002 -6.754
43 HB2 CYS 5 HB2 CYS 5 17.017 1.431 -4.534
44 HB3 CYS 5 HB3 CYS 5 18.019 0.163 -5.269
45 HA PRO 6 HA PRO 6 17.877 0.321 -10.504
46 HB2 PRO 6 HB2 PRO 6 18.838 2.634 -11.603
47 HB3 PRO 6 HB3 PRO 6 17.085 2.251 -11.528
48 HG2 PRO 6 HG2 PRO 6 18.698 4.016 -9.694
49 HG3 PRO 6 HG3 PRO 6 17.087 4.336 -10.410
50 HD2 PRO 6 HD2 PRO 6 17.419 3.385 -7.848
51 HD3 PRO 6 HD3 PRO 6 16.011 2.948 -8.864
52 H GLU 7 H GLU 7 19.589 1.974 -7.945
53 HA GLU 7 HA GLU 7 22.222 1.300 -9.156
54 HB2 GLU 7 HB2 GLU 7 21.507 2.991 -6.733
55 HB3 GLU 7 HB3 GLU 7 23.135 2.769 -7.397
56 HG2 GLU 7 HG2 GLU 7 20.779 4.004 -8.881
57 HG3 GLU 7 HG3 GLU 7 22.070 4.916 -8.099
58 H CYS 8 H CYS 8 20.257 0.780 -6.183
59 HA CYS 8 HA CYS 8 22.303 -1.037 -5.107
60 HB2 CYS 8 HB2 CYS 8 19.516 -0.348 -4.075
61 HB3 CYS 8 HB3 CYS 8 20.758 -1.283 -3.218
62 H ALA 9 H ALA 9 19.509 -1.218 -7.146
63 HA ALA 9 HA ALA 9 18.297 -2.931 -8.009
64 HB1 ALA 9 HB1 ALA 9 20.849 -4.514 -7.528
65 HB2 ALA 9 HB2 ALA 9 19.532 -4.942 -8.645
66 HB3 ALA 9 HB3 ALA 9 20.509 -3.489 -8.942
67 H SER 10 H SER 10 17.872 -2.404 -5.272
68 HA SER 10 HA SER 10 17.130 -5.107 -4.272
69 HB2 SER 10 HB2 SER 10 19.178 -4.258 -3.143
70 HB3 SER 10 HB3 SER 10 18.270 -2.825 -2.621
71 HG SER 10 HG SER 10 18.296 -4.494 -1.038
72 H ARG 11 H ARG 11 15.227 -5.191 -3.018
73 HA ARG 11 HA ARG 11 13.300 -3.118 -3.788
74 HB2 ARG 11 HB2 ARG 11 12.977 -5.779 -2.370
75 HB3 ARG 11 HB3 ARG 11 11.650 -4.719 -2.876
76 HG2 ARG 11 HG2 ARG 11 12.504 -4.870 -5.243
77 HG3 ARG 11 HG3 ARG 11 13.701 -6.064 -4.686
78 HD2 ARG 11 HD2 ARG 11 11.845 -7.497 -3.853
79 HD3 ARG 11 HD3 ARG 11 10.673 -6.298 -4.428
80 HE ARG 11 HE ARG 11 12.222 -8.210 -6.041
81 HH11 ARG 11 HH11 ARG 11 10.252 -5.273 -6.043
82 HH12 ARG 11 HH12 ARG 11 9.797 -5.436 -7.722
83 HH21 ARG 11 HH21 ARG 11 11.628 -8.386 -8.243
84 HH22 ARG 11 HH22 ARG 11 10.582 -7.187 -8.962
85 H TYR 12 H TYR 12 11.871 -2.085 -2.356
86 HA TYR 12 HA TYR 12 12.328 -2.280 0.511
87 HB2 TYR 12 HB2 TYR 12 13.962 -0.665 0.196
88 HB3 TYR 12 HB3 TYR 12 13.041 0.172 -1.054
89 HD1 TYR 12 HD2 TYR 12 11.226 1.703 -0.499
90 HD2 TYR 12 HD1 TYR 12 13.501 -0.274 2.568
91 HE1 TYR 12 HE2 TYR 12 10.340 3.301 1.184
92 HE2 TYR 12 HE1 TYR 12 12.616 1.312 4.258
93 HH TYR 12 HH TYR 12 10.324 3.924 3.392
94 H PHE 13 H PHE 13 10.519 -2.052 1.687
95 HA PHE 13 HA PHE 13 8.127 -1.566 0.064
96 HB2 PHE 13 HB2 PHE 13 6.976 -2.696 2.061
97 HB3 PHE 13 HB3 PHE 13 7.951 -3.649 0.941
98 HD1 PHE 13 HD1 PHE 13 7.877 -2.162 4.338
99 HD2 PHE 13 HD2 PHE 13 9.963 -4.757 1.614
100 HE1 PHE 13 HE1 PHE 13 9.257 -3.020 6.213
101 HE2 PHE 13 HE2 PHE 13 11.346 -5.614 3.494
102 HZ PHE 13 HZ PHE 13 10.998 -4.743 5.789
103 H VAL 14 H VAL 14 6.328 -0.407 0.637
104 HA VAL 14 HA VAL 14 6.415 1.331 2.963
105 HB VAL 14 HB VAL 14 7.862 2.471 1.235
106 HG11 VAL 14 HG11 VAL 14 5.213 2.823 -0.238
107 HG12 VAL 14 HG12 VAL 14 6.776 3.534 -0.679
108 HG13 VAL 14 HG13 VAL 14 6.547 1.772 -0.774
109 HG21 VAL 14 HG21 VAL 14 6.659 3.652 3.070
110 HG22 VAL 14 HG22 VAL 14 6.919 4.650 1.626
111 HG23 VAL 14 HG23 VAL 14 5.311 3.962 1.946
112 H ASP 15 H ASP 15 4.405 2.552 3.252
113 HA ASP 15 HA ASP 15 2.103 1.033 2.511
114 HB2 ASP 15 HB2 ASP 15 2.373 3.815 3.702
115 HB3 ASP 15 HB3 ASP 15 0.847 2.934 3.534
116 H ASP 16 H ASP 16 0.281 1.659 1.200
117 HA ASP 16 HA ASP 16 1.102 2.699 -1.343
118 HB2 ASP 16 HB2 ASP 16 -1.626 2.020 -0.204
119 HB3 ASP 16 HB3 ASP 16 -1.345 2.492 -1.884
120 H SER 17 H SER 17 0.190 4.341 1.506
121 HA SER 17 HA SER 17 -1.135 6.588 0.223
122 HB2 SER 17 HB2 SER 17 -0.981 7.597 2.456
123 HB3 SER 17 HB3 SER 17 -1.578 5.921 2.559
124 HG SER 17 HG SER 17 0.062 6.350 4.091
125 H LYS 18 H LYS 18 2.114 5.527 0.393
126 HA LYS 18 HA LYS 18 3.439 8.055 0.674
127 HB2 LYS 18 HB2 LYS 18 4.432 5.860 1.221
128 HB3 LYS 18 HB3 LYS 18 4.289 5.355 -0.464
129 HG2 LYS 18 HG2 LYS 18 6.582 6.029 0.037
130 HG3 LYS 18 HG3 LYS 18 5.865 7.111 -1.163
131 HD2 LYS 18 HD2 LYS 18 7.099 8.418 0.501
132 HD3 LYS 18 HD3 LYS 18 5.359 8.765 0.628
133 HE2 LYS 18 HE2 LYS 18 5.183 7.190 2.528
134 HE3 LYS 18 HE3 LYS 18 6.915 6.822 2.383
135 HZ1 LYS 18 HZ1 LYS 18 6.504 8.451 4.078
136 HZ2 LYS 18 HZ2 LYS 18 7.388 9.114 2.864
137 HZ3 LYS 18 HZ3 LYS 18 5.791 9.471 3.003
138 H VAL 19 H VAL 19 1.728 6.536 -1.934
139 HA VAL 19 HA VAL 19 2.833 8.511 -3.843
140 HB VAL 19 HB VAL 19 2.586 5.535 -4.432
141 HG11 VAL 19 HG11 VAL 19 3.709 7.861 -6.058
142 HG12 VAL 19 HG12 VAL 19 3.790 6.148 -6.514
143 HG13 VAL 19 HG13 VAL 19 2.211 6.960 -6.404
144 HG21 VAL 19 HG21 VAL 19 4.498 5.896 -2.952
145 HG22 VAL 19 HG22 VAL 19 5.077 5.597 -4.603
146 HG23 VAL 19 HG23 VAL 19 5.061 7.251 -3.962
147 H GLY 20 H GLY 20 1.316 9.400 -5.148
148 HA2 GLY 20 HA2 GLY 20 -1.465 8.411 -4.879
149 HA3 GLY 20 HA3 GLY 20 -0.959 9.985 -5.507
150 HA PRO 21 HA PRO 21 -1.919 7.016 -9.011
151 HB2 PRO 21 HB2 PRO 21 -3.979 8.463 -10.140
152 HB3 PRO 21 HB3 PRO 21 -4.212 7.245 -8.844
153 HG2 PRO 21 HG2 PRO 21 -4.060 10.254 -8.608
154 HG3 PRO 21 HG3 PRO 21 -5.174 9.116 -7.778
155 HD2 PRO 21 HD2 PRO 21 -2.901 10.157 -6.608
156 HD3 PRO 21 HD3 PRO 21 -3.551 8.537 -6.194
157 H ASP 22 H ASP 22 -1.369 10.468 -8.595
158 HA ASP 22 HA ASP 22 -0.533 10.877 -11.371
159 HB2 ASP 22 HB2 ASP 22 -0.505 12.622 -8.889
160 HB3 ASP 22 HB3 ASP 22 0.048 13.154 -10.485
161 H GLY 23 H GLY 23 0.865 9.294 -8.811
162 HA2 GLY 23 HA2 GLY 23 3.034 8.480 -8.649
163 HA3 GLY 23 HA3 GLY 23 3.565 9.611 -9.904
164 H ARG 24 H ARG 24 5.081 9.186 -7.621
165 HA ARG 24 HA ARG 24 5.234 11.895 -6.540
166 HB2 ARG 24 HB2 ARG 24 3.668 10.025 -5.151
167 HB3 ARG 24 HB3 ARG 24 5.227 9.939 -4.328
168 HG2 ARG 24 HG2 ARG 24 3.569 12.450 -4.844
169 HG3 ARG 24 HG3 ARG 24 3.735 11.617 -3.293
170 HD2 ARG 24 HD2 ARG 24 5.982 12.985 -4.835
171 HD3 ARG 24 HD3 ARG 24 5.171 13.621 -3.400
172 HE ARG 24 HE ARG 24 7.136 11.418 -3.509
173 HH11 ARG 24 HH11 ARG 24 4.808 13.240 -1.570
174 HH12 ARG 24 HH12 ARG 24 5.518 12.742 -0.050
175 HH21 ARG 24 HH21 ARG 24 8.016 10.772 -1.549
176 HH22 ARG 24 HH22 ARG 24 7.346 11.347 -0.035
177 H VAL 25 H VAL 25 7.353 12.348 -5.868
178 HA VAL 25 HA VAL 25 9.379 10.484 -6.714
179 HB VAL 25 HB VAL 25 9.548 12.948 -6.900
180 HG11 VAL 25 HG11 VAL 25 9.983 12.822 -3.888
181 HG12 VAL 25 HG12 VAL 25 10.149 14.269 -4.910
182 HG13 VAL 25 HG13 VAL 25 8.555 13.514 -4.695
183 HG21 VAL 25 HG21 VAL 25 11.569 11.500 -6.955
184 HG22 VAL 25 HG22 VAL 25 11.902 13.109 -6.280
185 HG23 VAL 25 HG23 VAL 25 11.749 11.715 -5.191
186 H VAL 26 H VAL 26 10.983 9.441 -5.507
187 HA VAL 26 HA VAL 26 10.568 9.236 -2.578
188 HB VAL 26 HB VAL 26 10.716 6.846 -2.611
189 HG11 VAL 26 HG11 VAL 26 8.464 7.836 -3.007
190 HG12 VAL 26 HG12 VAL 26 8.725 7.696 -4.763
191 HG13 VAL 26 HG13 VAL 26 8.645 6.234 -3.755
192 HG21 VAL 26 HG21 VAL 26 10.976 7.060 -5.642
193 HG22 VAL 26 HG22 VAL 26 12.270 6.589 -4.519
194 HG23 VAL 26 HG23 VAL 26 10.842 5.550 -4.707
195 H ARG 27 H ARG 27 12.521 7.894 -1.621
196 HA ARG 27 HA ARG 27 15.003 8.501 -3.116
197 HB2 ARG 27 HB2 ARG 27 16.005 9.555 -1.159
198 HB3 ARG 27 HB3 ARG 27 14.570 10.456 -1.688
199 HG2 ARG 27 HG2 ARG 27 13.221 9.359 0.084
200 HG3 ARG 27 HG3 ARG 27 14.661 8.457 0.611
201 HD2 ARG 27 HD2 ARG 27 15.822 10.609 1.054
202 HD3 ARG 27 HD3 ARG 27 14.368 11.485 0.561
203 HE ARG 27 HE ARG 27 13.293 10.860 2.560
204 HH11 ARG 27 HH21 ARG 27 16.481 9.343 2.291
205 HH12 ARG 27 HH22 ARG 27 16.508 8.842 3.966
206 HH21 ARG 27 HH11 ARG 27 13.365 10.187 4.745
207 HH22 ARG 27 HH12 ARG 27 14.764 9.336 5.353
208 H CYS 28 H CYS 28 16.771 7.257 -2.563
209 HA CYS 28 HA CYS 28 16.101 4.639 -1.458
210 HB2 CYS 28 HB2 CYS 28 17.440 5.008 -3.547
211 HB3 CYS 28 HB3 CYS 28 18.724 5.729 -2.558
212 H ALA 29 H ALA 29 16.746 3.813 0.478
213 HA ALA 29 HA ALA 29 17.963 5.615 2.431
214 HB1 ALA 29 HB1 ALA 29 17.142 2.689 2.603
215 HB2 ALA 29 HB2 ALA 29 17.595 3.720 3.971
216 HB3 ALA 29 HB3 ALA 29 16.124 4.085 3.037
217 H SER 30 H SER 30 19.185 3.560 0.000
218 HA SER 30 HA SER 30 21.530 2.772 1.657
219 HB2 SER 30 HB2 SER 30 20.251 1.528 -0.795
220 HB3 SER 30 HB3 SER 30 21.819 1.020 -0.132
221 HG SER 30 HG SER 30 19.328 1.044 1.236
222 H CYS 31 H CYS 31 20.622 4.760 -1.088
223 HA CYS 31 HA CYS 31 23.473 5.452 -1.299
224 HB2 CYS 31 HB2 CYS 31 23.630 5.163 -3.666
225 HB3 CYS 31 HB3 CYS 31 23.065 3.633 -2.958
226 H GLY 32 H GLY 32 20.248 6.449 -1.142
227 HA2 GLY 32 HA2 GLY 32 19.507 8.617 -0.897
228 HA3 GLY 32 HA3 GLY 32 21.118 9.205 -1.346
229 H ASN 33 H ASN 33 20.165 7.018 -3.719
230 HA ASN 33 HA ASN 33 19.774 8.989 -5.731
231 HB2 ASN 33 HB2 ASN 33 20.558 6.603 -6.007
232 HB3 ASN 33 HB3 ASN 33 18.891 6.076 -5.716
233 HD21 ASN 33 HD22 ASN 33 18.735 5.135 -7.808
234 HD22 ASN 33 HD21 ASN 33 18.595 6.125 -9.247
235 H ARG 34 H ARG 34 17.808 9.498 -6.933
236 HA ARG 34 HA ARG 34 15.278 8.920 -5.478
237 HB2 ARG 34 HB2 ARG 34 16.108 11.680 -6.447
238 HB3 ARG 34 HB3 ARG 34 14.582 11.237 -5.657
239 HG2 ARG 34 HG2 ARG 34 15.955 10.477 -3.647
240 HG3 ARG 34 HG3 ARG 34 17.377 11.172 -4.448
241 HD2 ARG 34 HD2 ARG 34 16.514 12.815 -2.921
242 HD3 ARG 34 HD3 ARG 34 16.148 13.374 -4.564
243 HE ARG 34 HE ARG 34 13.849 12.190 -4.076
244 HH11 ARG 34 HH11 ARG 34 15.796 14.082 -1.813
245 HH12 ARG 34 HH12 ARG 34 14.420 14.555 -0.839
246 HH21 ARG 34 HH21 ARG 34 12.068 12.832 -2.796
247 HH22 ARG 34 HH22 ARG 34 12.317 13.860 -1.401
248 H TRP 35 H TRP 35 13.403 8.969 -6.728
249 HA TRP 35 HA TRP 35 13.449 9.667 -9.544
250 HB2 TRP 35 HB2 TRP 35 12.967 7.427 -10.389
251 HB3 TRP 35 HB3 TRP 35 14.560 7.474 -9.645
252 HD1 TRP 35 HD1 TRP 35 11.113 5.952 -9.259
253 HE1 TRP 35 HE1 TRP 35 11.133 4.095 -7.517
254 HE3 TRP 35 HE3 TRP 35 15.834 6.649 -7.407
255 HZ2 TRP 35 HZ2 TRP 35 12.940 3.076 -5.507
256 HZ3 TRP 35 HZ3 TRP 35 16.665 5.225 -5.563
257 HH2 TRP 35 HH2 TRP 35 15.236 3.439 -4.606
258 H THR 36 H THR 36 11.270 9.379 -10.512
259 HA THR 36 HA THR 36 9.200 9.770 -8.520
260 HB THR 36 HB THR 36 8.667 9.525 -11.459
261 HG1 THR 36 HG1 THR 36 9.240 11.711 -11.596
262 HG21 THR 36 HG21 THR 36 7.530 11.238 -9.206
263 HG22 THR 36 HG22 THR 36 6.973 11.241 -10.893
264 HG23 THR 36 HG23 THR 36 6.767 9.784 -9.893
265 H ALA 37 H ALA 37 7.967 8.295 -7.589
266 HA ALA 37 HA ALA 37 7.835 5.579 -8.744
267 HB1 ALA 37 HB1 ALA 37 6.915 6.703 -6.065
268 HB2 ALA 37 HB2 ALA 37 6.908 4.987 -6.535
269 HB3 ALA 37 HB3 ALA 37 8.451 5.848 -6.362
270 H PHE 38 H PHE 38 5.763 4.476 -8.856
271 HA PHE 38 HA PHE 38 3.340 6.082 -8.717
272 HB2 PHE 38 HB2 PHE 38 2.679 5.377 -11.078
273 HB3 PHE 38 HB3 PHE 38 3.791 6.736 -10.876
274 HD1 PHE 38 HD2 PHE 38 3.534 3.203 -11.942
275 HD2 PHE 38 HD1 PHE 38 6.082 6.650 -11.598
276 HE1 PHE 38 HE2 PHE 38 5.206 2.119 -13.426
277 HE2 PHE 38 HE1 PHE 38 7.746 5.568 -13.082
278 HZ PHE 38 HZ PHE 38 7.317 3.297 -13.988
279 H LYS 39 H LYS 39 1.396 4.924 -8.643
280 HA LYS 39 HA LYS 39 1.722 2.278 -7.524
281 HB2 LYS 39 HB2 LYS 39 0.000 3.996 -6.818
282 HB3 LYS 39 HB3 LYS 39 -0.825 3.729 -8.365
283 HG2 LYS 39 HG2 LYS 39 -1.929 2.364 -6.726
284 HG3 LYS 39 HG3 LYS 39 -0.987 1.269 -7.754
285 HD2 LYS 39 HD2 LYS 39 0.839 1.254 -6.050
286 HD3 LYS 39 HD3 LYS 39 -0.109 2.354 -5.034
287 HE2 LYS 39 HE2 LYS 39 -0.947 -0.434 -5.910
288 HE3 LYS 39 HE3 LYS 39 -0.280 -0.016 -4.322
289 HZ1 LYS 39 HZ1 LYS 39 -2.648 -0.104 -4.223
290 HZ2 LYS 39 HZ2 LYS 39 -2.161 1.452 -3.998
291 HZ3 LYS 39 HZ3 LYS 39 -2.803 0.990 -5.442
292 H ASP 40 H ASP 40 1.185 0.285 -8.367
293 HA ASP 40 HA ASP 40 0.023 0.081 -11.053
294 HB2 ASP 40 HB2 ASP 40 2.451 0.633 -11.394
295 HB3 ASP 40 HB3 ASP 40 2.875 -0.842 -10.510
296 H GLU 41 H GLU 41 0.886 -1.139 -7.942
297 HA GLU 41 HA GLU 41 0.651 -3.958 -8.457
298 HB2 GLU 41 HB2 GLU 41 0.312 -2.274 -5.944
299 HB3 GLU 41 HB3 GLU 41 0.288 -4.050 -5.964
300 HG2 GLU 41 HG2 GLU 41 2.566 -4.036 -6.999
301 HG3 GLU 41 HG3 GLU 41 2.591 -2.270 -6.870
302 H ALA 42 H ALA 42 -1.691 -1.409 -8.307
303 HA ALA 42 HA ALA 42 -3.882 -3.295 -8.598
304 HB1 ALA 42 HB1 ALA 42 -3.727 -1.528 -6.122
305 HB2 ALA 42 HB2 ALA 42 -5.098 -2.563 -6.588
306 HB3 ALA 42 HB3 ALA 42 -3.537 -3.292 -6.133
307 H GLU 43 H GLU 43 -5.994 -2.073 -8.828
308 HA GLU 43 HA GLU 43 -5.756 0.774 -9.472
309 HB2 GLU 43 HB2 GLU 43 -4.942 -0.400 -11.511
310 HB3 GLU 43 HB3 GLU 43 -6.483 -1.277 -11.608
311 HG2 GLU 43 HG2 GLU 43 -7.704 0.815 -11.900
312 HG3 GLU 43 HG3 GLU 43 -6.216 1.752 -11.658
313 H LEU 44 H LEU 44 -7.879 1.754 -9.847
314 HA LEU 44 HA LEU 44 -9.827 0.656 -8.034
315 HB2 LEU 44 HB2 LEU 44 -9.714 3.054 -9.890
316 HB3 LEU 44 HB3 LEU 44 -11.204 2.628 -9.031
317 HG LEU 44 HG LEU 44 -9.961 2.712 -6.867
318 HD11 LEU 44 HD11 LEU 44 -7.729 3.811 -8.629
319 HD12 LEU 44 HD12 LEU 44 -7.787 3.971 -6.856
320 HD13 LEU 44 HD13 LEU 44 -7.657 2.364 -7.589
321 HD21 LEU 44 HD21 LEU 44 -11.281 4.619 -7.711
322 HD22 LEU 44 HD22 LEU 44 -9.862 5.178 -6.798
323 HD23 LEU 44 HD23 LEU 44 -9.848 5.234 -8.573
324 H GLU 45 H GLU 45 -9.141 -0.207 -11.210
325 HA GLU 45 HA GLU 45 -11.897 -0.615 -12.092
326 HB2 GLU 45 HB2 GLU 45 -9.215 -1.500 -13.232
327 HB3 GLU 45 HB3 GLU 45 -10.775 -1.724 -14.037
328 HG2 GLU 45 HG2 GLU 45 -9.613 0.976 -13.216
329 HG3 GLU 45 HG3 GLU 45 -9.530 0.287 -14.844
330 H LEU 46 H LEU 46 -10.255 -2.093 -9.695
331 HA LEU 46 HA LEU 46 -10.413 -4.853 -10.363
332 HB2 LEU 46 HB2 LEU 46 -9.825 -5.270 -8.159
333 HB3 LEU 46 HB3 LEU 46 -9.108 -3.686 -8.463
334 HG LEU 46 HG LEU 46 -11.775 -4.167 -7.044
335 HD11 LEU 46 HD11 LEU 46 -10.525 -3.581 -5.004
336 HD12 LEU 46 HD12 LEU 46 -9.828 -5.021 -5.776
337 HD13 LEU 46 HD13 LEU 46 -9.028 -3.442 -5.959
338 HD21 LEU 46 HD21 LEU 46 -11.670 -1.936 -8.097
339 HD22 LEU 46 HD22 LEU 46 -11.503 -1.795 -6.337
340 HD23 LEU 46 HD23 LEU 46 -10.066 -1.660 -7.372
341 H VAL 47 H VAL 47 -11.838 -6.468 -9.383
342 HA VAL 47 HA VAL 47 -14.576 -5.840 -9.923
343 HB VAL 47 HB VAL 47 -15.023 -8.144 -9.460
344 HG11 VAL 47 HG11 VAL 47 -12.199 -7.943 -10.603
345 HG12 VAL 47 HG12 VAL 47 -13.373 -9.252 -10.867
346 HG13 VAL 47 HG13 VAL 47 -13.697 -7.630 -11.513
347 HG21 VAL 47 HG21 VAL 47 -13.880 -8.377 -7.304
348 HG22 VAL 47 HG22 VAL 47 -13.334 -9.636 -8.432
349 HG23 VAL 47 HG23 VAL 47 -12.296 -8.232 -8.104
350 HA PRO 48 HA PRO 48 -16.034 -4.549 -5.979
351 HB2 PRO 48 HB2 PRO 48 -18.642 -5.440 -6.034
352 HB3 PRO 48 HB3 PRO 48 -18.048 -4.041 -6.989
353 HG2 PRO 48 HG2 PRO 48 -18.472 -6.904 -7.881
354 HG3 PRO 48 HG3 PRO 48 -18.895 -5.390 -8.745
355 HD2 PRO 48 HD2 PRO 48 -16.629 -6.830 -9.305
356 HD3 PRO 48 HD3 PRO 48 -16.684 -5.047 -9.435
357 H ARG 49 H ARG 49 -16.865 -5.353 -3.896
358 HA ARG 49 HA ARG 49 -16.973 -8.257 -3.496
359 HB2 ARG 49 HB2 ARG 49 -14.557 -7.821 -3.464
360 HB3 ARG 49 HB3 ARG 49 -14.790 -6.526 -2.270
361 HG2 ARG 49 HG2 ARG 49 -15.678 -8.164 -0.647
362 HG3 ARG 49 HG3 ARG 49 -15.508 -9.460 -1.848
363 HD2 ARG 49 HD2 ARG 49 -13.067 -9.080 -1.931
364 HD3 ARG 49 HD3 ARG 49 -13.223 -7.761 -0.759
365 HE ARG 49 HE ARG 49 -13.477 -10.668 -0.230
366 HH11 ARG 49 HH11 ARG 49 -13.646 -7.352 0.994
367 HH12 ARG 49 HH12 ARG 49 -13.538 -7.840 2.668
368 HH21 ARG 49 HH21 ARG 49 -13.338 -11.272 1.966
369 HH22 ARG 49 HH22 ARG 49 -13.372 -10.050 3.219
Start of MODEL 18
1 H1 MET 1 H1 MET 1 2.535 -0.990 -2.106
2 H2 MET 1 H2 MET 1 2.564 -2.601 -1.769
3 H3 MET 1 H3 MET 1 1.503 -2.012 -2.885
4 HA MET 1 HA MET 1 3.279 -3.123 -3.977
5 HB2 MET 1 HB2 MET 1 3.932 -1.342 -5.505
6 HB3 MET 1 HB3 MET 1 2.228 -1.135 -5.058
7 HG2 MET 1 HG2 MET 1 2.870 0.570 -3.393
8 HG3 MET 1 HG3 MET 1 4.574 0.343 -3.811
9 HE1 MET 1 HE1 MET 1 4.045 3.870 -5.218
10 HE2 MET 1 HE2 MET 1 3.393 3.187 -3.714
11 HE3 MET 1 HE3 MET 1 5.052 2.790 -4.226
12 H ILE 2 H ILE 2 5.631 -2.595 -4.801
13 HA ILE 2 HA ILE 2 7.329 -1.606 -2.595
14 HB ILE 2 HB ILE 2 6.983 -4.155 -2.519
15 HG12 ILE 2 HG12 ILE 2 9.868 -3.294 -2.896
16 HG13 ILE 2 HG13 ILE 2 8.875 -2.721 -1.534
17 HG21 ILE 2 HG21 ILE 2 8.287 -5.507 -4.073
18 HG22 ILE 2 HG22 ILE 2 7.181 -4.485 -5.015
19 HG23 ILE 2 HG23 ILE 2 8.905 -4.054 -4.883
20 HD11 ILE 2 HD11 ILE 2 10.185 -4.709 -0.887
21 HD12 ILE 2 HD12 ILE 2 8.440 -5.041 -0.838
22 HD13 ILE 2 HD13 ILE 2 9.426 -5.644 -2.190
23 H LEU 3 H LEU 3 9.464 -0.965 -3.334
24 HA LEU 3 HA LEU 3 9.531 -0.413 -6.267
25 HB2 LEU 3 HB2 LEU 3 10.276 1.388 -3.930
26 HB3 LEU 3 HB3 LEU 3 10.602 1.772 -5.630
27 HG LEU 3 HG LEU 3 7.796 1.181 -4.583
28 HD11 LEU 3 HD11 LEU 3 9.184 3.861 -4.995
29 HD12 LEU 3 HD12 LEU 3 7.471 3.624 -4.576
30 HD13 LEU 3 HD13 LEU 3 8.739 3.154 -3.423
31 HD21 LEU 3 HD21 LEU 3 8.111 0.938 -7.023
32 HD22 LEU 3 HD22 LEU 3 7.152 2.390 -6.657
33 HD23 LEU 3 HD23 LEU 3 8.870 2.549 -7.091
34 H THR 4 H THR 4 11.573 -0.342 -7.261
35 HA THR 4 HA THR 4 13.735 -1.592 -5.661
36 HB THR 4 HB THR 4 13.560 -1.920 -8.632
37 HG1 THR 4 HG1 THR 4 12.411 -3.820 -8.230
38 HG21 THR 4 HG21 THR 4 14.674 -3.660 -6.390
39 HG22 THR 4 HG22 THR 4 14.825 -3.960 -8.136
40 HG23 THR 4 HG23 THR 4 15.642 -2.564 -7.411
41 H CYS 5 H CYS 5 15.768 -0.796 -5.648
42 HA CYS 5 HA CYS 5 16.072 1.926 -6.573
43 HB2 CYS 5 HB2 CYS 5 17.019 1.145 -4.452
44 HB3 CYS 5 HB3 CYS 5 18.040 -0.019 -5.336
45 HA PRO 6 HA PRO 6 17.799 0.863 -10.575
46 HB2 PRO 6 HB2 PRO 6 18.978 3.598 -10.434
47 HB3 PRO 6 HB3 PRO 6 17.904 2.894 -11.684
48 HG2 PRO 6 HG2 PRO 6 16.995 4.746 -9.884
49 HG3 PRO 6 HG3 PRO 6 15.971 3.386 -10.450
50 HD2 PRO 6 HD2 PRO 6 17.492 3.626 -7.851
51 HD3 PRO 6 HD3 PRO 6 15.851 2.983 -8.170
52 H GLU 7 H GLU 7 19.525 1.867 -7.720
53 HA GLU 7 HA GLU 7 22.143 1.247 -9.021
54 HB2 GLU 7 HB2 GLU 7 21.539 2.910 -6.548
55 HB3 GLU 7 HB3 GLU 7 23.146 2.637 -7.246
56 HG2 GLU 7 HG2 GLU 7 20.810 3.996 -8.664
57 HG3 GLU 7 HG3 GLU 7 22.151 4.838 -7.876
58 H CYS 8 H CYS 8 20.202 0.724 -6.017
59 HA CYS 8 HA CYS 8 22.199 -1.161 -5.011
60 HB2 CYS 8 HB2 CYS 8 19.380 -0.546 -4.018
61 HB3 CYS 8 HB3 CYS 8 20.601 -1.526 -3.187
62 H ALA 9 H ALA 9 19.534 -1.268 -7.183
63 HA ALA 9 HA ALA 9 18.360 -2.936 -8.178
64 HB1 ALA 9 HB1 ALA 9 20.877 -4.549 -7.607
65 HB2 ALA 9 HB2 ALA 9 19.637 -4.919 -8.828
66 HB3 ALA 9 HB3 ALA 9 20.633 -3.457 -8.990
67 H SER 10 H SER 10 18.075 -2.590 -5.255
68 HA SER 10 HA SER 10 17.074 -5.314 -4.554
69 HB2 SER 10 HB2 SER 10 18.401 -3.221 -2.791
70 HB3 SER 10 HB3 SER 10 17.575 -4.678 -2.184
71 HG SER 10 HG SER 10 19.818 -4.580 -3.924
72 H ARG 11 H ARG 11 15.182 -5.332 -3.177
73 HA ARG 11 HA ARG 11 13.342 -3.192 -3.979
74 HB2 ARG 11 HB2 ARG 11 12.930 -5.810 -2.495
75 HB3 ARG 11 HB3 ARG 11 11.635 -4.689 -2.961
76 HG2 ARG 11 HG2 ARG 11 12.383 -4.890 -5.356
77 HG3 ARG 11 HG3 ARG 11 13.527 -6.149 -4.847
78 HD2 ARG 11 HD2 ARG 11 10.504 -6.218 -4.447
79 HD3 ARG 11 HD3 ARG 11 11.378 -7.099 -5.705
80 HE ARG 11 HE ARG 11 11.261 -7.741 -2.834
81 HH11 ARG 11 HH11 ARG 11 12.837 -8.330 -5.941
82 HH12 ARG 11 HH12 ARG 11 13.483 -9.879 -5.457
83 HH21 ARG 11 HH21 ARG 11 12.115 -9.772 -2.224
84 HH22 ARG 11 HH22 ARG 11 13.070 -10.695 -3.360
85 H TYR 12 H TYR 12 11.977 -2.079 -2.574
86 HA TYR 12 HA TYR 12 12.486 -2.124 0.290
87 HB2 TYR 12 HB2 TYR 12 14.250 -0.664 -0.205
88 HB3 TYR 12 HB3 TYR 12 13.312 0.192 -1.430
89 HD1 TYR 12 HD1 TYR 12 13.701 -0.310 2.232
90 HD2 TYR 12 HD2 TYR 12 11.902 2.034 -0.892
91 HE1 TYR 12 HE1 TYR 12 13.047 1.408 3.904
92 HE2 TYR 12 HE2 TYR 12 11.267 3.769 0.767
93 HH TYR 12 HH TYR 12 11.297 4.398 2.965
94 H PHE 13 H PHE 13 10.805 -1.316 1.545
95 HA PHE 13 HA PHE 13 8.388 -0.828 -0.099
96 HB2 PHE 13 HB2 PHE 13 7.165 -1.966 1.828
97 HB3 PHE 13 HB3 PHE 13 8.088 -2.937 0.685
98 HD1 PHE 13 HD2 PHE 13 8.054 -1.593 4.141
99 HD2 PHE 13 HD1 PHE 13 10.053 -4.172 1.336
100 HE1 PHE 13 HE2 PHE 13 9.347 -2.612 5.992
101 HE2 PHE 13 HE1 PHE 13 11.342 -5.192 3.195
102 HZ PHE 13 HZ PHE 13 10.986 -4.410 5.522
103 H VAL 14 H VAL 14 6.692 0.417 0.552
104 HA VAL 14 HA VAL 14 7.010 2.109 2.949
105 HB VAL 14 HB VAL 14 6.560 4.148 1.685
106 HG11 VAL 14 HG11 VAL 14 8.947 3.471 2.021
107 HG12 VAL 14 HG12 VAL 14 8.912 2.664 0.437
108 HG13 VAL 14 HG13 VAL 14 8.705 4.422 0.542
109 HG21 VAL 14 HG21 VAL 14 5.289 3.172 -0.182
110 HG22 VAL 14 HG22 VAL 14 6.635 4.159 -0.787
111 HG23 VAL 14 HG23 VAL 14 6.762 2.381 -0.790
112 H ASP 15 H ASP 15 4.929 3.309 3.398
113 HA ASP 15 HA ASP 15 2.676 1.575 3.093
114 HB2 ASP 15 HB2 ASP 15 3.002 3.115 4.988
115 HB3 ASP 15 HB3 ASP 15 2.857 4.505 3.897
116 H ASP 16 H ASP 16 0.894 1.705 1.696
117 HA ASP 16 HA ASP 16 1.443 2.750 -0.900
118 HB2 ASP 16 HB2 ASP 16 -1.064 1.590 0.350
119 HB3 ASP 16 HB3 ASP 16 -0.952 2.055 -1.350
120 H SER 17 H SER 17 0.366 4.410 1.841
121 HA SER 17 HA SER 17 -1.350 6.302 0.431
122 HB2 SER 17 HB2 SER 17 -1.680 5.724 2.813
123 HB3 SER 17 HB3 SER 17 -0.075 6.372 3.197
124 HG SER 17 HG SER 17 -1.756 7.898 3.555
125 H LYS 18 H LYS 18 2.044 5.827 0.762
126 HA LYS 18 HA LYS 18 2.822 8.624 0.773
127 HB2 LYS 18 HB2 LYS 18 4.411 6.106 0.130
128 HB3 LYS 18 HB3 LYS 18 5.095 7.713 0.428
129 HG2 LYS 18 HG2 LYS 18 3.471 6.091 2.432
130 HG3 LYS 18 HG3 LYS 18 5.234 6.273 2.425
131 HD2 LYS 18 HD2 LYS 18 4.962 8.738 2.679
132 HD3 LYS 18 HD3 LYS 18 3.201 8.514 2.806
133 HE2 LYS 18 HE2 LYS 18 3.514 7.050 4.763
134 HE3 LYS 18 HE3 LYS 18 5.273 7.231 4.632
135 HZ1 LYS 18 HZ1 LYS 18 4.350 8.717 6.265
136 HZ2 LYS 18 HZ2 LYS 18 4.999 9.581 5.024
137 HZ3 LYS 18 HZ3 LYS 18 3.367 9.416 5.147
138 H VAL 19 H VAL 19 1.569 6.588 -1.650
139 HA VAL 19 HA VAL 19 2.545 8.440 -3.740
140 HB VAL 19 HB VAL 19 2.659 5.424 -4.054
141 HG11 VAL 19 HG11 VAL 19 3.591 7.722 -5.821
142 HG12 VAL 19 HG12 VAL 19 3.923 6.000 -6.118
143 HG13 VAL 19 HG13 VAL 19 2.253 6.594 -6.160
144 HG21 VAL 19 HG21 VAL 19 4.429 6.102 -2.513
145 HG22 VAL 19 HG22 VAL 19 5.135 5.743 -4.101
146 HG23 VAL 19 HG23 VAL 19 4.902 7.431 -3.602
147 H GLY 20 H GLY 20 1.153 8.666 -5.533
148 HA2 GLY 20 HA2 GLY 20 -1.483 7.271 -5.300
149 HA3 GLY 20 HA3 GLY 20 -1.354 9.008 -5.615
150 HA PRO 21 HA PRO 21 -1.432 6.626 -9.638
151 HB2 PRO 21 HB2 PRO 21 -3.672 7.835 -10.690
152 HB3 PRO 21 HB3 PRO 21 -3.741 6.382 -9.645
153 HG2 PRO 21 HG2 PRO 21 -4.200 9.270 -8.885
154 HG3 PRO 21 HG3 PRO 21 -5.119 7.817 -8.375
155 HD2 PRO 21 HD2 PRO 21 -3.167 9.012 -6.833
156 HD3 PRO 21 HD3 PRO 21 -3.498 7.256 -6.767
157 H ASP 22 H ASP 22 -1.603 9.994 -8.585
158 HA ASP 22 HA ASP 22 -0.781 11.082 -11.149
159 HB2 ASP 22 HB2 ASP 22 -0.960 12.222 -8.343
160 HB3 ASP 22 HB3 ASP 22 -0.464 13.156 -9.764
161 H GLY 23 H GLY 23 0.810 9.245 -8.845
162 HA2 GLY 23 HA2 GLY 23 3.025 8.612 -8.830
163 HA3 GLY 23 HA3 GLY 23 3.416 9.906 -9.971
164 H ARG 24 H ARG 24 5.011 9.266 -7.750
165 HA ARG 24 HA ARG 24 5.150 11.865 -6.442
166 HB2 ARG 24 HB2 ARG 24 3.482 10.331 -5.101
167 HB3 ARG 24 HB3 ARG 24 4.941 9.424 -4.659
168 HG2 ARG 24 HG2 ARG 24 4.878 10.915 -2.893
169 HG3 ARG 24 HG3 ARG 24 5.840 11.872 -4.029
170 HD2 ARG 24 HD2 ARG 24 2.829 12.053 -3.558
171 HD3 ARG 24 HD3 ARG 24 4.034 13.229 -3.042
172 HE ARG 24 HE ARG 24 3.161 12.696 -5.846
173 HH11 ARG 24 HH11 ARG 24 4.906 14.719 -3.526
174 HH12 ARG 24 HH12 ARG 24 5.114 16.038 -4.654
175 HH21 ARG 24 HH21 ARG 24 3.448 14.423 -7.297
176 HH22 ARG 24 HH22 ARG 24 4.298 15.864 -6.792
177 H VAL 25 H VAL 25 7.271 12.267 -5.690
178 HA VAL 25 HA VAL 25 9.256 10.438 -6.731
179 HB VAL 25 HB VAL 25 9.346 12.973 -6.778
180 HG11 VAL 25 HG11 VAL 25 10.327 12.548 -3.926
181 HG12 VAL 25 HG12 VAL 25 10.304 14.082 -4.822
182 HG13 VAL 25 HG13 VAL 25 8.775 13.297 -4.366
183 HG21 VAL 25 HG21 VAL 25 11.260 11.501 -7.346
184 HG22 VAL 25 HG22 VAL 25 11.774 13.008 -6.567
185 HG23 VAL 25 HG23 VAL 25 11.750 11.496 -5.630
186 H VAL 26 H VAL 26 10.939 9.393 -5.613
187 HA VAL 26 HA VAL 26 10.564 9.045 -2.694
188 HB VAL 26 HB VAL 26 10.668 6.672 -2.808
189 HG11 VAL 26 HG11 VAL 26 8.756 7.587 -5.001
190 HG12 VAL 26 HG12 VAL 26 8.647 6.083 -4.063
191 HG13 VAL 26 HG13 VAL 26 8.426 7.650 -3.252
192 HG21 VAL 26 HG21 VAL 26 12.289 6.429 -4.646
193 HG22 VAL 26 HG22 VAL 26 10.854 5.434 -4.946
194 HG23 VAL 26 HG23 VAL 26 11.053 6.970 -5.814
195 H ARG 27 H ARG 27 12.490 7.872 -1.694
196 HA ARG 27 HA ARG 27 14.982 8.394 -3.203
197 HB2 ARG 27 HB2 ARG 27 14.472 10.433 -1.907
198 HB3 ARG 27 HB3 ARG 27 14.401 9.472 -0.414
199 HG2 ARG 27 HG2 ARG 27 16.756 8.835 -0.671
200 HG3 ARG 27 HG3 ARG 27 16.844 9.693 -2.231
201 HD2 ARG 27 HD2 ARG 27 16.291 11.815 -1.086
202 HD3 ARG 27 HD3 ARG 27 16.248 10.968 0.469
203 HE ARG 27 HE ARG 27 18.661 11.412 -1.241
204 HH11 ARG 27 HH11 ARG 27 17.232 10.546 1.878
205 HH12 ARG 27 HH12 ARG 27 18.763 10.599 2.726
206 HH21 ARG 27 HH21 ARG 27 20.635 11.495 -0.108
207 HH22 ARG 27 HH22 ARG 27 20.673 11.151 1.605
208 H CYS 28 H CYS 28 16.686 7.090 -2.679
209 HA CYS 28 HA CYS 28 15.997 4.555 -1.473
210 HB2 CYS 28 HB2 CYS 28 17.451 4.887 -3.483
211 HB3 CYS 28 HB3 CYS 28 18.690 5.611 -2.433
212 H ALA 29 H ALA 29 16.499 3.770 0.508
213 HA ALA 29 HA ALA 29 17.668 5.556 2.500
214 HB1 ALA 29 HB1 ALA 29 17.173 3.686 4.033
215 HB2 ALA 29 HB2 ALA 29 15.758 4.066 3.025
216 HB3 ALA 29 HB3 ALA 29 16.768 2.647 2.651
217 H SER 30 H SER 30 18.956 3.449 0.140
218 HA SER 30 HA SER 30 21.186 2.614 1.918
219 HB2 SER 30 HB2 SER 30 19.985 1.377 -0.577
220 HB3 SER 30 HB3 SER 30 21.518 0.840 0.153
221 HG SER 30 HG SER 30 19.708 -0.330 0.931
222 H CYS 31 H CYS 31 20.456 4.599 -0.887
223 HA CYS 31 HA CYS 31 23.324 5.232 -0.983
224 HB2 CYS 31 HB2 CYS 31 23.620 4.859 -3.321
225 HB3 CYS 31 HB3 CYS 31 22.961 3.367 -2.618
226 H GLY 32 H GLY 32 20.138 6.291 -0.975
227 HA2 GLY 32 HA2 GLY 32 19.461 8.479 -0.765
228 HA3 GLY 32 HA3 GLY 32 21.095 9.019 -1.188
229 H ASN 33 H ASN 33 20.075 6.827 -3.544
230 HA ASN 33 HA ASN 33 19.886 8.768 -5.606
231 HB2 ASN 33 HB2 ASN 33 20.481 6.331 -5.826
232 HB3 ASN 33 HB3 ASN 33 18.776 5.935 -5.561
233 HD21 ASN 33 HD22 ASN 33 18.744 4.936 -7.671
234 HD22 ASN 33 HD21 ASN 33 18.622 5.920 -9.114
235 H ARG 34 H ARG 34 18.005 9.379 -6.890
236 HA ARG 34 HA ARG 34 15.421 9.245 -5.424
237 HB2 ARG 34 HB2 ARG 34 16.510 11.255 -4.641
238 HB3 ARG 34 HB3 ARG 34 16.920 11.738 -6.295
239 HG2 ARG 34 HG2 ARG 34 14.530 12.029 -6.829
240 HG3 ARG 34 HG3 ARG 34 14.090 11.491 -5.188
241 HD2 ARG 34 HD2 ARG 34 15.355 13.360 -4.215
242 HD3 ARG 34 HD3 ARG 34 15.874 13.880 -5.826
243 HE ARG 34 HE ARG 34 13.153 14.121 -4.655
244 HH11 ARG 34 HH11 ARG 34 15.343 14.686 -7.374
245 HH12 ARG 34 HH12 ARG 34 14.300 15.875 -8.125
246 HH21 ARG 34 HH21 ARG 34 11.812 15.676 -5.656
247 HH22 ARG 34 HH22 ARG 34 12.305 16.435 -7.150
248 H TRP 35 H TRP 35 13.672 9.047 -6.712
249 HA TRP 35 HA TRP 35 13.686 9.887 -9.500
250 HB2 TRP 35 HB2 TRP 35 13.414 7.689 -10.467
251 HB3 TRP 35 HB3 TRP 35 14.938 7.736 -9.597
252 HD1 TRP 35 HD1 TRP 35 11.594 6.008 -9.700
253 HE1 TRP 35 HE1 TRP 35 11.492 4.082 -8.044
254 HE3 TRP 35 HE3 TRP 35 15.932 6.918 -7.149
255 HZ2 TRP 35 HZ2 TRP 35 13.054 3.088 -5.822
256 HZ3 TRP 35 HZ3 TRP 35 16.581 5.473 -5.245
257 HH2 TRP 35 HH2 TRP 35 15.166 3.554 -4.581
258 H THR 36 H THR 36 11.538 9.453 -10.512
259 HA THR 36 HA THR 36 9.445 9.749 -8.536
260 HB THR 36 HB THR 36 8.873 9.520 -11.462
261 HG1 THR 36 HG1 THR 36 9.466 11.707 -11.634
262 HG21 THR 36 HG21 THR 36 7.244 11.302 -10.860
263 HG22 THR 36 HG22 THR 36 7.011 9.833 -9.889
264 HG23 THR 36 HG23 THR 36 7.825 11.249 -9.179
265 H ALA 37 H ALA 37 7.726 8.464 -8.042
266 HA ALA 37 HA ALA 37 7.723 5.727 -9.220
267 HB1 ALA 37 HB1 ALA 37 7.166 6.538 -6.341
268 HB2 ALA 37 HB2 ALA 37 7.112 4.891 -6.996
269 HB3 ALA 37 HB3 ALA 37 8.665 5.765 -6.918
270 H PHE 38 H PHE 38 5.533 4.642 -8.905
271 HA PHE 38 HA PHE 38 3.302 6.470 -8.556
272 HB2 PHE 38 HB2 PHE 38 2.333 5.734 -10.830
273 HB3 PHE 38 HB3 PHE 38 3.523 7.036 -10.744
274 HD1 PHE 38 HD2 PHE 38 3.016 3.488 -11.694
275 HD2 PHE 38 HD1 PHE 38 5.720 6.831 -11.704
276 HE1 PHE 38 HE2 PHE 38 4.478 2.309 -13.320
277 HE2 PHE 38 HE1 PHE 38 7.181 5.653 -13.318
278 HZ PHE 38 HZ PHE 38 6.558 3.395 -14.139
279 H LYS 39 H LYS 39 1.258 5.549 -8.296
280 HA LYS 39 HA LYS 39 1.388 2.945 -7.051
281 HB2 LYS 39 HB2 LYS 39 0.006 4.708 -6.135
282 HB3 LYS 39 HB3 LYS 39 -0.920 4.838 -7.644
283 HG2 LYS 39 HG2 LYS 39 -1.911 2.686 -7.360
284 HG3 LYS 39 HG3 LYS 39 -0.775 2.240 -6.068
285 HD2 LYS 39 HD2 LYS 39 -2.788 4.511 -5.841
286 HD3 LYS 39 HD3 LYS 39 -3.065 2.860 -5.238
287 HE2 LYS 39 HE2 LYS 39 -1.023 3.043 -3.836
288 HE3 LYS 39 HE3 LYS 39 -0.808 4.715 -4.388
289 HZ1 LYS 39 HZ1 LYS 39 -3.118 3.697 -2.879
290 HZ2 LYS 39 HZ2 LYS 39 -1.907 4.650 -2.297
291 HZ3 LYS 39 HZ3 LYS 39 -2.952 5.236 -3.429
292 H ASP 40 H ASP 40 0.170 1.078 -7.592
293 HA ASP 40 HA ASP 40 -0.915 0.882 -10.331
294 HB2 ASP 40 HB2 ASP 40 1.569 0.449 -10.446
295 HB3 ASP 40 HB3 ASP 40 1.337 -0.899 -9.325
296 H GLU 41 H GLU 41 -1.490 0.587 -7.212
297 HA GLU 41 HA GLU 41 -2.277 -2.179 -6.900
298 HB2 GLU 41 HB2 GLU 41 -2.947 0.389 -5.399
299 HB3 GLU 41 HB3 GLU 41 -3.460 -1.214 -4.869
300 HG2 GLU 41 HG2 GLU 41 -0.560 -0.362 -5.295
301 HG3 GLU 41 HG3 GLU 41 -1.380 -0.383 -3.732
302 H ALA 42 H ALA 42 -3.677 0.569 -8.472
303 HA ALA 42 HA ALA 42 -6.129 -0.892 -9.056
304 HB1 ALA 42 HB1 ALA 42 -7.629 0.771 -8.041
305 HB2 ALA 42 HB2 ALA 42 -6.587 0.044 -6.792
306 HB3 ALA 42 HB3 ALA 42 -6.228 1.671 -7.412
307 H GLU 43 H GLU 43 -7.554 0.421 -10.522
308 HA GLU 43 HA GLU 43 -6.335 2.744 -11.813
309 HB2 GLU 43 HB2 GLU 43 -5.125 0.916 -12.907
310 HB3 GLU 43 HB3 GLU 43 -6.640 0.063 -13.222
311 HG2 GLU 43 HG2 GLU 43 -5.875 1.128 -15.256
312 HG3 GLU 43 HG3 GLU 43 -7.364 1.903 -14.731
313 H LEU 44 H LEU 44 -7.810 3.841 -13.227
314 HA LEU 44 HA LEU 44 -10.543 3.650 -12.373
315 HB2 LEU 44 HB2 LEU 44 -9.331 5.156 -14.719
316 HB3 LEU 44 HB3 LEU 44 -10.910 5.472 -13.976
317 HG LEU 44 HG LEU 44 -8.213 5.745 -12.575
318 HD11 LEU 44 HD11 LEU 44 -8.705 8.167 -12.672
319 HD12 LEU 44 HD12 LEU 44 -8.608 7.469 -14.300
320 HD13 LEU 44 HD13 LEU 44 -10.195 7.829 -13.584
321 HD21 LEU 44 HD21 LEU 44 -9.996 5.137 -11.001
322 HD22 LEU 44 HD22 LEU 44 -9.580 6.852 -10.799
323 HD23 LEU 44 HD23 LEU 44 -11.055 6.397 -11.679
324 H GLU 45 H GLU 45 -12.417 3.493 -13.883
325 HA GLU 45 HA GLU 45 -12.022 1.840 -16.268
326 HB2 GLU 45 HB2 GLU 45 -12.039 0.121 -14.561
327 HB3 GLU 45 HB3 GLU 45 -13.418 0.869 -13.749
328 HG2 GLU 45 HG2 GLU 45 -14.185 -1.070 -14.953
329 HG3 GLU 45 HG3 GLU 45 -14.851 0.378 -15.713
330 H LEU 46 H LEU 46 -13.686 2.058 -17.730
331 HA LEU 46 HA LEU 46 -15.305 3.255 -18.797
332 HB2 LEU 46 HB2 LEU 46 -16.738 2.621 -16.187
333 HB3 LEU 46 HB3 LEU 46 -17.544 3.247 -17.636
334 HG LEU 46 HG LEU 46 -15.923 0.664 -17.582
335 HD11 LEU 46 HD11 LEU 46 -18.933 1.102 -17.444
336 HD12 LEU 46 HD12 LEU 46 -18.112 -0.468 -17.568
337 HD13 LEU 46 HD13 LEU 46 -17.901 0.526 -16.111
338 HD21 LEU 46 HD21 LEU 46 -16.118 1.669 -19.829
339 HD22 LEU 46 HD22 LEU 46 -17.151 0.239 -19.711
340 HD23 LEU 46 HD23 LEU 46 -17.869 1.866 -19.599
341 H VAL 47 H VAL 47 -13.455 4.974 -18.047
342 HA VAL 47 HA VAL 47 -14.242 6.942 -16.193
343 HB VAL 47 HB VAL 47 -12.352 8.118 -16.757
344 HG11 VAL 47 HG11 VAL 47 -11.707 5.304 -17.750
345 HG12 VAL 47 HG12 VAL 47 -10.587 6.470 -17.009
346 HG13 VAL 47 HG13 VAL 47 -11.889 5.750 -16.035
347 HG21 VAL 47 HG21 VAL 47 -11.179 8.012 -18.904
348 HG22 VAL 47 HG22 VAL 47 -12.375 6.850 -19.526
349 HG23 VAL 47 HG23 VAL 47 -12.856 8.518 -19.151
350 HA PRO 48 HA PRO 48 -16.143 9.387 -19.913
351 HB2 PRO 48 HB2 PRO 48 -17.863 7.164 -20.939
352 HB3 PRO 48 HB3 PRO 48 -17.060 8.486 -21.845
353 HG2 PRO 48 HG2 PRO 48 -16.110 5.936 -21.921
354 HG3 PRO 48 HG3 PRO 48 -14.990 7.342 -21.855
355 HD2 PRO 48 HD2 PRO 48 -15.908 5.546 -19.605
356 HD3 PRO 48 HD3 PRO 48 -14.257 6.146 -19.967
357 H ARG 49 H ARG 49 -17.152 7.161 -17.531
358 HA ARG 49 HA ARG 49 -19.934 7.649 -17.329
359 HB2 ARG 49 HB2 ARG 49 -18.790 5.807 -16.209
360 HB3 ARG 49 HB3 ARG 49 -17.833 6.954 -15.244
361 HG2 ARG 49 HG2 ARG 49 -19.895 7.778 -14.158
362 HG3 ARG 49 HG3 ARG 49 -20.869 6.672 -15.152
363 HD2 ARG 49 HD2 ARG 49 -20.511 5.686 -12.956
364 HD3 ARG 49 HD3 ARG 49 -19.622 4.748 -14.168
365 HE ARG 49 HE ARG 49 -18.472 6.596 -12.129
366 HH11 ARG 49 HH11 ARG 49 -17.971 4.178 -14.660
367 HH12 ARG 49 HH12 ARG 49 -16.286 3.935 -14.257
368 HH21 ARG 49 HH21 ARG 49 -16.288 6.241 -11.610
369 HH22 ARG 49 HH22 ARG 49 -15.342 5.089 -12.524
Start of MODEL 19
1 H1 MET 1 H1 MET 1 1.746 -1.901 -2.547
2 H2 MET 1 H2 MET 1 2.788 -0.806 -1.894
3 H3 MET 1 H3 MET 1 2.858 -2.386 -1.434
4 HA MET 1 HA MET 1 3.494 -3.059 -3.633
5 HB2 MET 1 HB2 MET 1 4.096 -1.360 -5.291
6 HB3 MET 1 HB3 MET 1 2.388 -1.219 -4.845
7 HG2 MET 1 HG2 MET 1 2.941 0.626 -3.302
8 HG3 MET 1 HG3 MET 1 4.653 0.468 -3.716
9 HE1 MET 1 HE1 MET 1 3.854 3.874 -5.325
10 HE2 MET 1 HE2 MET 1 3.248 3.233 -3.779
11 HE3 MET 1 HE3 MET 1 4.937 2.944 -4.270
12 H ILE 2 H ILE 2 5.798 -2.581 -4.574
13 HA ILE 2 HA ILE 2 7.590 -1.434 -2.512
14 HB ILE 2 HB ILE 2 7.234 -3.970 -2.239
15 HG12 ILE 2 HG12 ILE 2 10.108 -3.153 -2.755
16 HG13 ILE 2 HG13 ILE 2 9.146 -2.489 -1.403
17 HG21 ILE 2 HG21 ILE 2 9.078 -4.032 -4.667
18 HG22 ILE 2 HG22 ILE 2 8.504 -5.426 -3.728
19 HG23 ILE 2 HG23 ILE 2 7.358 -4.485 -4.707
20 HD11 ILE 2 HD11 ILE 2 10.465 -4.441 -0.674
21 HD12 ILE 2 HD12 ILE 2 8.716 -4.759 -0.566
22 HD13 ILE 2 HD13 ILE 2 9.668 -5.448 -1.903
23 H LEU 3 H LEU 3 9.698 -0.859 -3.373
24 HA LEU 3 HA LEU 3 9.637 -0.486 -6.334
25 HB2 LEU 3 HB2 LEU 3 10.497 1.457 -4.158
26 HB3 LEU 3 HB3 LEU 3 10.657 1.744 -5.900
27 HG LEU 3 HG LEU 3 7.976 1.179 -4.546
28 HD11 LEU 3 HD11 LEU 3 9.248 3.840 -5.276
29 HD12 LEU 3 HD12 LEU 3 7.598 3.605 -4.646
30 HD13 LEU 3 HD13 LEU 3 9.002 3.230 -3.622
31 HD21 LEU 3 HD21 LEU 3 8.049 0.785 -7.000
32 HD22 LEU 3 HD22 LEU 3 7.097 2.231 -6.615
33 HD23 LEU 3 HD23 LEU 3 8.761 2.400 -7.227
34 H THR 4 H THR 4 11.662 -0.465 -7.400
35 HA THR 4 HA THR 4 13.857 -1.632 -5.776
36 HB THR 4 HB THR 4 13.666 -1.988 -8.746
37 HG1 THR 4 HG1 THR 4 12.551 -3.894 -8.314
38 HG21 THR 4 HG21 THR 4 15.774 -2.584 -7.573
39 HG22 THR 4 HG22 THR 4 14.857 -3.661 -6.490
40 HG23 THR 4 HG23 THR 4 14.957 -4.022 -8.226
41 H CYS 5 H CYS 5 15.860 -0.795 -5.745
42 HA CYS 5 HA CYS 5 16.206 1.889 -6.822
43 HB2 CYS 5 HB2 CYS 5 17.039 1.219 -4.597
44 HB3 CYS 5 HB3 CYS 5 18.101 0.017 -5.353
45 HA PRO 6 HA PRO 6 18.145 0.385 -10.564
46 HB2 PRO 6 HB2 PRO 6 19.074 2.762 -11.553
47 HB3 PRO 6 HB3 PRO 6 17.333 2.329 -11.558
48 HG2 PRO 6 HG2 PRO 6 18.830 4.062 -9.598
49 HG3 PRO 6 HG3 PRO 6 17.237 4.373 -10.369
50 HD2 PRO 6 HD2 PRO 6 17.508 3.338 -7.828
51 HD3 PRO 6 HD3 PRO 6 16.142 2.899 -8.897
52 H GLU 7 H GLU 7 19.704 1.944 -7.868
53 HA GLU 7 HA GLU 7 22.400 1.404 -9.017
54 HB2 GLU 7 HB2 GLU 7 21.572 2.990 -6.551
55 HB3 GLU 7 HB3 GLU 7 23.221 2.819 -7.170
56 HG2 GLU 7 HG2 GLU 7 20.900 4.061 -8.702
57 HG3 GLU 7 HG3 GLU 7 22.135 4.970 -7.824
58 H CYS 8 H CYS 8 20.372 0.751 -6.103
59 HA CYS 8 HA CYS 8 22.410 -1.071 -5.047
60 HB2 CYS 8 HB2 CYS 8 19.558 -0.518 -4.122
61 HB3 CYS 8 HB3 CYS 8 20.779 -1.464 -3.253
62 H ALA 9 H ALA 9 19.719 -1.237 -7.219
63 HA ALA 9 HA ALA 9 18.574 -2.937 -8.189
64 HB1 ALA 9 HB1 ALA 9 21.127 -4.500 -7.651
65 HB2 ALA 9 HB2 ALA 9 19.868 -4.907 -8.840
66 HB3 ALA 9 HB3 ALA 9 20.833 -3.424 -9.043
67 H SER 10 H SER 10 18.059 -2.496 -5.467
68 HA SER 10 HA SER 10 17.235 -5.209 -4.581
69 HB2 SER 10 HB2 SER 10 19.325 -4.497 -3.413
70 HB3 SER 10 HB3 SER 10 18.470 -3.065 -2.814
71 HG SER 10 HG SER 10 18.427 -4.822 -1.320
72 H ARG 11 H ARG 11 15.441 -5.125 -3.005
73 HA ARG 11 HA ARG 11 13.514 -3.126 -3.951
74 HB2 ARG 11 HB2 ARG 11 13.221 -5.583 -2.187
75 HB3 ARG 11 HB3 ARG 11 11.881 -4.546 -2.725
76 HG2 ARG 11 HG2 ARG 11 12.570 -4.986 -5.109
77 HG3 ARG 11 HG3 ARG 11 13.743 -6.176 -4.507
78 HD2 ARG 11 HD2 ARG 11 10.742 -6.224 -3.997
79 HD3 ARG 11 HD3 ARG 11 11.594 -7.221 -5.192
80 HE ARG 11 HE ARG 11 11.575 -7.563 -2.267
81 HH11 ARG 11 HH11 ARG 11 13.040 -8.458 -5.355
82 HH12 ARG 11 HH12 ARG 11 13.720 -9.946 -4.739
83 HH21 ARG 11 HH21 ARG 11 12.479 -9.515 -1.484
84 HH22 ARG 11 HH22 ARG 11 13.400 -10.545 -2.554
85 H TYR 12 H TYR 12 12.179 -1.883 -2.633
86 HA TYR 12 HA TYR 12 12.758 -1.626 0.205
87 HB2 TYR 12 HB2 TYR 12 14.463 -0.175 -0.466
88 HB3 TYR 12 HB3 TYR 12 13.496 0.507 -1.770
89 HD1 TYR 12 HD1 TYR 12 13.956 0.435 1.918
90 HD2 TYR 12 HD2 TYR 12 12.006 2.339 -1.413
91 HE1 TYR 12 HE1 TYR 12 13.257 2.298 3.397
92 HE2 TYR 12 HE2 TYR 12 11.337 4.226 0.053
93 HH TYR 12 HH TYR 12 12.165 4.301 3.543
94 H PHE 13 H PHE 13 11.061 -0.867 1.407
95 HA PHE 13 HA PHE 13 8.612 -0.571 -0.221
96 HB2 PHE 13 HB2 PHE 13 7.464 -1.477 1.888
97 HB3 PHE 13 HB3 PHE 13 8.358 -2.567 0.831
98 HD1 PHE 13 HD1 PHE 13 8.459 -0.782 4.086
99 HD2 PHE 13 HD2 PHE 13 10.326 -3.732 1.573
100 HE1 PHE 13 HE1 PHE 13 9.836 -1.546 6.002
101 HE2 PHE 13 HE2 PHE 13 11.703 -4.491 3.492
102 HZ PHE 13 HZ PHE 13 11.458 -3.402 5.706
103 H VAL 14 H VAL 14 6.881 0.682 0.320
104 HA VAL 14 HA VAL 14 7.240 2.728 2.426
105 HB VAL 14 HB VAL 14 6.633 4.524 0.895
106 HG11 VAL 14 HG11 VAL 14 8.972 2.934 -0.244
107 HG12 VAL 14 HG12 VAL 14 8.695 4.680 -0.403
108 HG13 VAL 14 HG13 VAL 14 9.045 3.983 1.196
109 HG21 VAL 14 HG21 VAL 14 6.779 2.419 -1.303
110 HG22 VAL 14 HG22 VAL 14 5.297 3.218 -0.720
111 HG23 VAL 14 HG23 VAL 14 6.556 4.161 -1.546
112 H ASP 15 H ASP 15 5.165 3.852 2.884
113 HA ASP 15 HA ASP 15 2.975 2.007 2.943
114 HB2 ASP 15 HB2 ASP 15 3.139 4.978 3.534
115 HB3 ASP 15 HB3 ASP 15 1.710 3.975 3.838
116 H ASP 16 H ASP 16 0.940 2.064 1.890
117 HA ASP 16 HA ASP 16 1.119 2.816 -0.878
118 HB2 ASP 16 HB2 ASP 16 -1.171 1.804 0.825
119 HB3 ASP 16 HB3 ASP 16 -1.291 2.096 -0.919
120 H SER 17 H SER 17 0.447 4.707 1.846
121 HA SER 17 HA SER 17 -1.329 6.569 0.409
122 HB2 SER 17 HB2 SER 17 -1.358 7.772 2.552
123 HB3 SER 17 HB3 SER 17 -1.725 6.051 2.789
124 HG SER 17 HG SER 17 0.725 7.397 3.262
125 H LYS 18 H LYS 18 2.034 5.974 0.681
126 HA LYS 18 HA LYS 18 2.953 8.715 0.694
127 HB2 LYS 18 HB2 LYS 18 4.268 6.844 1.590
128 HB3 LYS 18 HB3 LYS 18 4.289 6.073 -0.006
129 HG2 LYS 18 HG2 LYS 18 6.400 7.227 0.488
130 HG3 LYS 18 HG3 LYS 18 5.593 7.922 -0.929
131 HD2 LYS 18 HD2 LYS 18 4.742 9.791 0.451
132 HD3 LYS 18 HD3 LYS 18 5.457 9.056 1.907
133 HE2 LYS 18 HE2 LYS 18 7.699 9.239 0.881
134 HE3 LYS 18 HE3 LYS 18 6.982 9.978 -0.563
135 HZ1 LYS 18 HZ1 LYS 18 6.863 11.095 2.159
136 HZ2 LYS 18 HZ2 LYS 18 7.849 11.625 0.954
137 HZ3 LYS 18 HZ3 LYS 18 6.219 11.789 0.810
138 H VAL 19 H VAL 19 1.611 6.614 -1.700
139 HA VAL 19 HA VAL 19 2.457 8.497 -3.827
140 HB VAL 19 HB VAL 19 2.559 5.483 -4.162
141 HG11 VAL 19 HG11 VAL 19 3.514 7.812 -5.879
142 HG12 VAL 19 HG12 VAL 19 3.836 6.099 -6.216
143 HG13 VAL 19 HG13 VAL 19 2.164 6.707 -6.245
144 HG21 VAL 19 HG21 VAL 19 4.828 7.458 -3.684
145 HG22 VAL 19 HG22 VAL 19 4.335 6.127 -2.610
146 HG23 VAL 19 HG23 VAL 19 5.032 5.771 -4.204
147 H GLY 20 H GLY 20 1.026 8.711 -5.574
148 HA2 GLY 20 HA2 GLY 20 -1.594 7.308 -5.281
149 HA3 GLY 20 HA3 GLY 20 -1.488 9.044 -5.593
150 HA PRO 21 HA PRO 21 -1.635 6.723 -9.648
151 HB2 PRO 21 HB2 PRO 21 -3.812 8.044 -10.687
152 HB3 PRO 21 HB3 PRO 21 -3.941 6.581 -9.660
153 HG2 PRO 21 HG2 PRO 21 -4.281 9.481 -8.855
154 HG3 PRO 21 HG3 PRO 21 -5.259 8.057 -8.365
155 HD2 PRO 21 HD2 PRO 21 -3.264 9.139 -6.800
156 HD3 PRO 21 HD3 PRO 21 -3.673 7.397 -6.777
157 H ASP 22 H ASP 22 -1.672 10.087 -8.568
158 HA ASP 22 HA ASP 22 -0.802 11.175 -11.113
159 HB2 ASP 22 HB2 ASP 22 -0.936 12.281 -8.292
160 HB3 ASP 22 HB3 ASP 22 -0.410 13.218 -9.696
161 H GLY 23 H GLY 23 0.715 9.283 -8.785
162 HA2 GLY 23 HA2 GLY 23 2.902 8.593 -8.679
163 HA3 GLY 23 HA3 GLY 23 3.350 9.804 -9.893
164 H ARG 24 H ARG 24 4.907 9.222 -7.619
165 HA ARG 24 HA ARG 24 5.205 11.899 -6.510
166 HB2 ARG 24 HB2 ARG 24 3.470 10.843 -5.018
167 HB3 ARG 24 HB3 ARG 24 4.627 9.541 -4.672
168 HG2 ARG 24 HG2 ARG 24 4.640 11.190 -2.863
169 HG3 ARG 24 HG3 ARG 24 6.200 11.196 -3.696
170 HD2 ARG 24 HD2 ARG 24 5.529 13.192 -4.978
171 HD3 ARG 24 HD3 ARG 24 3.924 13.152 -4.236
172 HE ARG 24 HE ARG 24 6.462 14.002 -2.984
173 HH11 ARG 24 HH11 ARG 24 3.028 13.255 -2.580
174 HH12 ARG 24 HH12 ARG 24 2.898 14.116 -1.063
175 HH21 ARG 24 HH21 ARG 24 6.260 15.136 -1.010
176 HH22 ARG 24 HH22 ARG 24 4.725 15.185 -0.181
177 H VAL 25 H VAL 25 7.322 12.208 -5.679
178 HA VAL 25 HA VAL 25 9.241 10.277 -6.663
179 HB VAL 25 HB VAL 25 9.491 12.774 -6.787
180 HG11 VAL 25 HG11 VAL 25 10.222 12.462 -3.846
181 HG12 VAL 25 HG12 VAL 25 10.347 13.947 -4.822
182 HG13 VAL 25 HG13 VAL 25 8.750 13.253 -4.457
183 HG21 VAL 25 HG21 VAL 25 11.906 12.734 -6.371
184 HG22 VAL 25 HG22 VAL 25 11.741 11.275 -5.374
185 HG23 VAL 25 HG23 VAL 25 11.391 11.217 -7.125
186 H VAL 26 H VAL 26 10.828 9.145 -5.501
187 HA VAL 26 HA VAL 26 10.393 8.893 -2.576
188 HB VAL 26 HB VAL 26 10.502 6.532 -2.637
189 HG11 VAL 26 HG11 VAL 26 8.702 7.386 -4.950
190 HG12 VAL 26 HG12 VAL 26 8.548 5.907 -3.981
191 HG13 VAL 26 HG13 VAL 26 8.277 7.490 -3.221
192 HG21 VAL 26 HG21 VAL 26 12.219 6.287 -4.408
193 HG22 VAL 26 HG22 VAL 26 10.821 5.239 -4.710
194 HG23 VAL 26 HG23 VAL 26 11.014 6.749 -5.632
195 H ARG 27 H ARG 27 12.303 7.576 -1.576
196 HA ARG 27 HA ARG 27 14.845 8.251 -2.948
197 HB2 ARG 27 HB2 ARG 27 15.749 9.205 -0.886
198 HB3 ARG 27 HB3 ARG 27 14.342 10.126 -1.443
199 HG2 ARG 27 HG2 ARG 27 12.907 8.935 0.198
200 HG3 ARG 27 HG3 ARG 27 14.323 8.016 0.758
201 HD2 ARG 27 HD2 ARG 27 15.453 10.142 1.360
202 HD3 ARG 27 HD3 ARG 27 14.023 11.038 0.816
203 HE ARG 27 HE ARG 27 13.912 9.032 3.042
204 HH11 ARG 27 HH11 ARG 27 13.217 12.263 1.768
205 HH12 ARG 27 HH12 ARG 27 12.287 12.738 3.170
206 HH21 ARG 27 HH21 ARG 27 12.696 9.685 4.856
207 HH22 ARG 27 HH22 ARG 27 12.008 11.290 4.918
208 H CYS 28 H CYS 28 16.611 6.996 -2.373
209 HA CYS 28 HA CYS 28 15.927 4.307 -1.475
210 HB2 CYS 28 HB2 CYS 28 17.387 4.833 -3.435
211 HB3 CYS 28 HB3 CYS 28 18.596 5.505 -2.317
212 H ALA 29 H ALA 29 16.476 3.348 0.437
213 HA ALA 29 HA ALA 29 17.524 5.028 2.582
214 HB1 ALA 29 HB1 ALA 29 16.756 2.083 2.489
215 HB2 ALA 29 HB2 ALA 29 17.115 3.023 3.956
216 HB3 ALA 29 HB3 ALA 29 15.687 3.420 2.965
217 H SER 30 H SER 30 18.946 3.200 0.084
218 HA SER 30 HA SER 30 21.207 2.365 1.827
219 HB2 SER 30 HB2 SER 30 20.080 1.205 -0.730
220 HB3 SER 30 HB3 SER 30 21.643 0.716 -0.033
221 HG SER 30 HG SER 30 19.893 -0.597 0.685
222 H CYS 31 H CYS 31 20.388 4.478 -0.850
223 HA CYS 31 HA CYS 31 23.229 5.243 -0.903
224 HB2 CYS 31 HB2 CYS 31 23.528 5.043 -3.262
225 HB3 CYS 31 HB3 CYS 31 22.947 3.475 -2.652
226 H GLY 32 H GLY 32 19.997 6.165 -0.850
227 HA2 GLY 32 HA2 GLY 32 19.205 8.311 -0.551
228 HA3 GLY 32 HA3 GLY 32 20.815 8.951 -0.916
229 H ASN 33 H ASN 33 19.993 6.831 -3.399
230 HA ASN 33 HA ASN 33 19.663 8.862 -5.360
231 HB2 ASN 33 HB2 ASN 33 20.484 6.493 -5.684
232 HB3 ASN 33 HB3 ASN 33 18.822 5.934 -5.491
233 HD21 ASN 33 HD22 ASN 33 18.768 5.075 -7.636
234 HD22 ASN 33 HD21 ASN 33 18.670 6.125 -9.029
235 H ARG 34 H ARG 34 17.757 9.382 -6.642
236 HA ARG 34 HA ARG 34 15.177 8.780 -5.294
237 HB2 ARG 34 HB2 ARG 34 16.125 11.538 -6.160
238 HB3 ARG 34 HB3 ARG 34 14.515 11.144 -5.534
239 HG2 ARG 34 HG2 ARG 34 15.553 10.351 -3.410
240 HG3 ARG 34 HG3 ARG 34 17.148 10.827 -4.024
241 HD2 ARG 34 HD2 ARG 34 14.775 12.693 -3.627
242 HD3 ARG 34 HD3 ARG 34 16.155 12.547 -2.526
243 HE ARG 34 HE ARG 34 16.058 13.980 -5.060
244 HH11 ARG 34 HH11 ARG 34 18.192 12.301 -2.786
245 HH12 ARG 34 HH12 ARG 34 19.610 13.187 -3.286
246 HH21 ARG 34 HH21 ARG 34 17.940 15.117 -5.698
247 HH22 ARG 34 HH22 ARG 34 19.472 14.764 -4.935
248 H TRP 35 H TRP 35 13.373 8.746 -6.610
249 HA TRP 35 HA TRP 35 13.508 9.525 -9.408
250 HB2 TRP 35 HB2 TRP 35 13.123 7.308 -10.326
251 HB3 TRP 35 HB3 TRP 35 14.671 7.348 -9.485
252 HD1 TRP 35 HD1 TRP 35 11.236 5.767 -9.373
253 HE1 TRP 35 HE1 TRP 35 11.160 3.877 -7.663
254 HE3 TRP 35 HE3 TRP 35 15.809 6.477 -7.184
255 HZ2 TRP 35 HZ2 TRP 35 12.859 2.810 -5.581
256 HZ3 TRP 35 HZ3 TRP 35 16.543 5.001 -5.349
257 HH2 TRP 35 HH2 TRP 35 15.086 3.171 -4.538
258 H THR 36 H THR 36 11.372 9.230 -10.460
259 HA THR 36 HA THR 36 9.253 9.613 -8.540
260 HB THR 36 HB THR 36 8.727 9.305 -11.470
261 HG1 THR 36 HG1 THR 36 9.404 11.452 -11.715
262 HG21 THR 36 HG21 THR 36 7.127 11.119 -10.987
263 HG22 THR 36 HG22 THR 36 6.851 9.719 -9.933
264 HG23 THR 36 HG23 THR 36 7.679 11.155 -9.290
265 H ALA 37 H ALA 37 7.566 8.362 -7.954
266 HA ALA 37 HA ALA 37 7.485 5.598 -9.068
267 HB1 ALA 37 HB1 ALA 37 8.348 5.685 -6.743
268 HB2 ALA 37 HB2 ALA 37 6.867 6.538 -6.238
269 HB3 ALA 37 HB3 ALA 37 6.771 4.867 -6.834
270 H PHE 38 H PHE 38 5.293 4.571 -8.849
271 HA PHE 38 HA PHE 38 3.066 6.416 -8.552
272 HB2 PHE 38 HB2 PHE 38 2.110 5.646 -10.816
273 HB3 PHE 38 HB3 PHE 38 3.322 6.933 -10.754
274 HD1 PHE 38 HD2 PHE 38 2.726 3.406 -11.674
275 HD2 PHE 38 HD1 PHE 38 5.550 6.655 -11.646
276 HE1 PHE 38 HE2 PHE 38 4.180 2.157 -13.243
277 HE2 PHE 38 HE1 PHE 38 7.009 5.396 -13.206
278 HZ PHE 38 HZ PHE 38 6.316 3.157 -14.020
279 H LYS 39 H LYS 39 1.022 5.497 -8.255
280 HA LYS 39 HA LYS 39 1.168 2.947 -6.925
281 HB2 LYS 39 HB2 LYS 39 -0.259 4.722 -6.109
282 HB3 LYS 39 HB3 LYS 39 -1.175 4.762 -7.626
283 HG2 LYS 39 HG2 LYS 39 -2.133 2.614 -7.251
284 HG3 LYS 39 HG3 LYS 39 -0.979 2.234 -5.955
285 HD2 LYS 39 HD2 LYS 39 -3.025 4.482 -5.795
286 HD3 LYS 39 HD3 LYS 39 -3.282 2.848 -5.139
287 HE2 LYS 39 HE2 LYS 39 -1.268 3.077 -3.732
288 HE3 LYS 39 HE3 LYS 39 -1.009 4.717 -4.357
289 HZ1 LYS 39 HZ1 LYS 39 -3.369 3.821 -2.848
290 HZ2 LYS 39 HZ2 LYS 39 -2.133 4.729 -2.255
291 HZ3 LYS 39 HZ3 LYS 39 -3.116 5.343 -3.421
292 H ASP 40 H ASP 40 0.053 1.020 -7.406
293 HA ASP 40 HA ASP 40 -1.018 0.650 -10.123
294 HB2 ASP 40 HB2 ASP 40 1.493 0.378 -10.248
295 HB3 ASP 40 HB3 ASP 40 1.361 -0.945 -9.082
296 H GLU 41 H GLU 41 -1.577 0.436 -7.010
297 HA GLU 41 HA GLU 41 -2.068 -2.358 -6.515
298 HB2 GLU 41 HB2 GLU 41 -3.074 0.211 -5.224
299 HB3 GLU 41 HB3 GLU 41 -3.418 -1.399 -4.587
300 HG2 GLU 41 HG2 GLU 41 -0.613 -0.286 -5.037
301 HG3 GLU 41 HG3 GLU 41 -1.466 -0.257 -3.485
302 H ALA 42 H ALA 42 -3.820 0.117 -8.248
303 HA ALA 42 HA ALA 42 -5.974 -1.759 -8.799
304 HB1 ALA 42 HB1 ALA 42 -6.561 0.840 -7.320
305 HB2 ALA 42 HB2 ALA 42 -7.766 -0.339 -7.907
306 HB3 ALA 42 HB3 ALA 42 -6.644 -0.781 -6.603
307 H GLU 43 H GLU 43 -3.825 -0.022 -10.105
308 HA GLU 43 HA GLU 43 -5.298 1.943 -11.666
309 HB2 GLU 43 HB2 GLU 43 -2.916 2.244 -11.077
310 HB3 GLU 43 HB3 GLU 43 -2.503 0.754 -11.928
311 HG2 GLU 43 HG2 GLU 43 -1.928 2.641 -13.321
312 HG3 GLU 43 HG3 GLU 43 -3.259 1.763 -14.072
313 H LEU 44 H LEU 44 -4.701 -1.476 -11.865
314 HA LEU 44 HA LEU 44 -4.919 -1.763 -14.714
315 HB2 LEU 44 HB2 LEU 44 -3.847 -3.447 -13.292
316 HB3 LEU 44 HB3 LEU 44 -5.356 -3.694 -12.403
317 HG LEU 44 HG LEU 44 -6.439 -4.517 -14.504
318 HD11 LEU 44 HD11 LEU 44 -3.603 -4.293 -15.618
319 HD12 LEU 44 HD12 LEU 44 -4.974 -5.091 -16.424
320 HD13 LEU 44 HD13 LEU 44 -5.003 -3.340 -16.158
321 HD21 LEU 44 HD21 LEU 44 -5.418 -6.082 -12.895
322 HD22 LEU 44 HD22 LEU 44 -5.246 -6.665 -14.566
323 HD23 LEU 44 HD23 LEU 44 -3.855 -5.935 -13.734
324 H GLU 45 H GLU 45 -6.705 -2.419 -15.971
325 HA GLU 45 HA GLU 45 -9.344 -2.636 -14.730
326 HB2 GLU 45 HB2 GLU 45 -9.128 -0.206 -14.953
327 HB3 GLU 45 HB3 GLU 45 -8.586 -0.377 -16.625
328 HG2 GLU 45 HG2 GLU 45 -10.908 0.322 -16.608
329 HG3 GLU 45 HG3 GLU 45 -10.804 -1.320 -17.241
330 H LEU 46 H LEU 46 -10.879 -3.638 -16.123
331 HA LEU 46 HA LEU 46 -9.698 -5.462 -18.001
332 HB2 LEU 46 HB2 LEU 46 -12.527 -4.792 -17.135
333 HB3 LEU 46 HB3 LEU 46 -12.209 -5.913 -18.467
334 HG LEU 46 HG LEU 46 -10.766 -7.284 -16.942
335 HD11 LEU 46 HD11 LEU 46 -11.892 -5.393 -14.827
336 HD12 LEU 46 HD12 LEU 46 -11.121 -6.949 -14.468
337 HD13 LEU 46 HD13 LEU 46 -10.171 -5.656 -15.218
338 HD21 LEU 46 HD21 LEU 46 -13.126 -7.849 -17.391
339 HD22 LEU 46 HD22 LEU 46 -12.676 -8.283 -15.728
340 HD23 LEU 46 HD23 LEU 46 -13.634 -6.818 -16.034
341 H VAL 47 H VAL 47 -10.178 -5.697 -20.245
342 HA VAL 47 HA VAL 47 -10.014 -3.230 -21.687
343 HB VAL 47 HB VAL 47 -9.873 -4.593 -23.667
344 HG11 VAL 47 HG11 VAL 47 -8.072 -6.131 -23.056
345 HG12 VAL 47 HG12 VAL 47 -7.924 -4.626 -22.121
346 HG13 VAL 47 HG13 VAL 47 -8.572 -6.095 -21.352
347 HG21 VAL 47 HG21 VAL 47 -11.775 -6.111 -23.254
348 HG22 VAL 47 HG22 VAL 47 -10.302 -7.033 -23.611
349 HG23 VAL 47 HG23 VAL 47 -10.877 -6.894 -21.936
350 HA PRO 48 HA PRO 48 -14.156 -2.127 -22.579
351 HB2 PRO 48 HB2 PRO 48 -13.470 -2.068 -25.491
352 HB3 PRO 48 HB3 PRO 48 -14.175 -0.779 -24.461
353 HG2 PRO 48 HG2 PRO 48 -11.553 -0.715 -25.237
354 HG3 PRO 48 HG3 PRO 48 -12.060 -0.188 -23.594
355 HD2 PRO 48 HD2 PRO 48 -10.816 -2.799 -24.443
356 HD3 PRO 48 HD3 PRO 48 -10.512 -1.814 -22.974
357 H ARG 49 H ARG 49 -16.160 -2.874 -23.513
358 HA ARG 49 HA ARG 49 -16.156 -5.308 -25.142
359 HB2 ARG 49 HB2 ARG 49 -15.812 -6.223 -22.893
360 HB3 ARG 49 HB3 ARG 49 -17.188 -5.279 -22.277
361 HG2 ARG 49 HG2 ARG 49 -18.727 -6.516 -23.753
362 HG3 ARG 49 HG3 ARG 49 -17.360 -7.410 -24.453
363 HD2 ARG 49 HD2 ARG 49 -16.833 -8.343 -22.217
364 HD3 ARG 49 HD3 ARG 49 -18.193 -7.447 -21.522
365 HE ARG 49 HE ARG 49 -19.713 -8.934 -22.509
366 HH11 ARG 49 HH11 ARG 49 -16.400 -9.649 -23.526
367 HH12 ARG 49 HH12 ARG 49 -16.823 -11.199 -24.216
368 HH21 ARG 49 HH21 ARG 49 -20.236 -10.956 -23.419
369 HH22 ARG 49 HH22 ARG 49 -18.991 -11.937 -24.154
Start of MODEL 20
1 H1 MET 1 H1 MET 1 3.410 -0.840 0.310
2 H2 MET 1 H2 MET 1 3.166 -2.275 -0.466
3 H3 MET 1 H3 MET 1 2.058 -1.077 -0.609
4 HA MET 1 HA MET 1 3.358 -1.235 -2.598
5 HB2 MET 1 HB2 MET 1 2.477 0.974 -1.811
6 HB3 MET 1 HB3 MET 1 4.035 1.259 -1.001
7 HG2 MET 1 HG2 MET 1 4.053 2.392 -3.108
8 HG3 MET 1 HG3 MET 1 5.181 1.032 -3.205
9 HE1 MET 1 HE1 MET 1 3.598 1.660 -6.807
10 HE2 MET 1 HE2 MET 1 3.693 2.904 -5.533
11 HE3 MET 1 HE3 MET 1 5.061 1.797 -5.808
12 H ILE 2 H ILE 2 5.358 -1.504 -3.592
13 HA ILE 2 HA ILE 2 7.762 -1.212 -1.896
14 HB ILE 2 HB ILE 2 6.754 -3.643 -2.030
15 HG12 ILE 2 HG12 ILE 2 9.700 -3.309 -2.652
16 HG13 ILE 2 HG13 ILE 2 8.985 -2.774 -1.114
17 HG21 ILE 2 HG21 ILE 2 8.416 -3.556 -4.589
18 HG22 ILE 2 HG22 ILE 2 7.618 -4.976 -3.890
19 HG23 ILE 2 HG23 ILE 2 6.639 -3.645 -4.548
20 HD11 ILE 2 HD11 ILE 2 9.894 -5.034 -0.883
21 HD12 ILE 2 HD12 ILE 2 8.133 -5.031 -0.674
22 HD13 ILE 2 HD13 ILE 2 8.842 -5.609 -2.204
23 H LEU 3 H LEU 3 9.642 -0.699 -3.048
24 HA LEU 3 HA LEU 3 9.296 -0.177 -5.960
25 HB2 LEU 3 HB2 LEU 3 10.315 1.726 -3.817
26 HB3 LEU 3 HB3 LEU 3 10.462 2.015 -5.556
27 HG LEU 3 HG LEU 3 7.779 1.580 -4.155
28 HD11 LEU 3 HD11 LEU 3 7.508 4.008 -4.323
29 HD12 LEU 3 HD12 LEU 3 8.928 3.615 -3.327
30 HD13 LEU 3 HD13 LEU 3 9.144 4.160 -5.008
31 HD21 LEU 3 HD21 LEU 3 7.740 1.098 -6.568
32 HD22 LEU 3 HD22 LEU 3 6.937 2.654 -6.256
33 HD23 LEU 3 HD23 LEU 3 8.592 2.628 -6.903
34 H THR 4 H THR 4 11.200 -0.247 -7.200
35 HA THR 4 HA THR 4 13.489 -1.502 -5.804
36 HB THR 4 HB THR 4 13.139 -1.508 -8.778
37 HG1 THR 4 HG1 THR 4 12.001 -3.431 -8.510
38 HG21 THR 4 HG21 THR 4 14.408 -3.608 -8.559
39 HG22 THR 4 HG22 THR 4 15.289 -2.267 -7.798
40 HG23 THR 4 HG23 THR 4 14.403 -3.447 -6.792
41 H CYS 5 H CYS 5 15.494 -0.652 -5.745
42 HA CYS 5 HA CYS 5 15.788 2.120 -6.534
43 HB2 CYS 5 HB2 CYS 5 16.780 1.246 -4.477
44 HB3 CYS 5 HB3 CYS 5 17.760 0.100 -5.424
45 HA PRO 6 HA PRO 6 17.445 1.264 -10.623
46 HB2 PRO 6 HB2 PRO 6 18.657 3.972 -10.320
47 HB3 PRO 6 HB3 PRO 6 17.580 3.357 -11.612
48 HG2 PRO 6 HG2 PRO 6 16.677 5.099 -9.708
49 HG3 PRO 6 HG3 PRO 6 15.649 3.761 -10.333
50 HD2 PRO 6 HD2 PRO 6 17.206 3.882 -7.753
51 HD3 PRO 6 HD3 PRO 6 15.559 3.256 -8.066
52 H GLU 7 H GLU 7 19.232 2.050 -7.742
53 HA GLU 7 HA GLU 7 21.815 1.451 -9.121
54 HB2 GLU 7 HB2 GLU 7 21.282 3.027 -6.571
55 HB3 GLU 7 HB3 GLU 7 22.872 2.757 -7.302
56 HG2 GLU 7 HG2 GLU 7 20.548 4.205 -8.645
57 HG3 GLU 7 HG3 GLU 7 21.902 4.999 -7.838
58 H CYS 8 H CYS 8 19.923 0.848 -6.099
59 HA CYS 8 HA CYS 8 21.898 -1.112 -5.204
60 HB2 CYS 8 HB2 CYS 8 19.090 -0.507 -4.166
61 HB3 CYS 8 HB3 CYS 8 20.287 -1.555 -3.393
62 H ALA 9 H ALA 9 19.212 -1.066 -7.351
63 HA ALA 9 HA ALA 9 18.031 -2.662 -8.444
64 HB1 ALA 9 HB1 ALA 9 19.319 -4.585 -9.252
65 HB2 ALA 9 HB2 ALA 9 20.306 -3.106 -9.314
66 HB3 ALA 9 HB3 ALA 9 20.570 -4.287 -8.015
67 H SER 10 H SER 10 17.455 -2.463 -5.702
68 HA SER 10 HA SER 10 16.612 -5.238 -5.086
69 HB2 SER 10 HB2 SER 10 18.762 -4.731 -3.914
70 HB3 SER 10 HB3 SER 10 17.955 -3.371 -3.104
71 HG SER 10 HG SER 10 17.905 -5.302 -1.850
72 H ARG 11 H ARG 11 14.833 -5.317 -3.543
73 HA ARG 11 HA ARG 11 12.985 -3.102 -4.073
74 HB2 ARG 11 HB2 ARG 11 12.633 -5.827 -2.777
75 HB3 ARG 11 HB3 ARG 11 11.322 -4.656 -3.040
76 HG2 ARG 11 HG2 ARG 11 11.874 -4.661 -5.491
77 HG3 ARG 11 HG3 ARG 11 13.040 -5.970 -5.189
78 HD2 ARG 11 HD2 ARG 11 10.066 -6.058 -4.540
79 HD3 ARG 11 HD3 ARG 11 10.816 -6.806 -5.957
80 HE ARG 11 HE ARG 11 10.941 -7.739 -3.171
81 HH11 ARG 11 HH11 ARG 11 12.248 -7.992 -6.444
82 HH12 ARG 11 HH12 ARG 11 12.933 -9.579 -6.180
83 HH21 ARG 11 HH21 ARG 11 11.826 -9.823 -2.854
84 HH22 ARG 11 HH22 ARG 11 12.696 -10.616 -4.146
85 H TYR 12 H TYR 12 11.803 -1.980 -2.513
86 HA TYR 12 HA TYR 12 12.447 -2.323 0.304
87 HB2 TYR 12 HB2 TYR 12 14.247 -0.895 -0.200
88 HB3 TYR 12 HB3 TYR 12 13.263 0.122 -1.249
89 HD1 TYR 12 HD1 TYR 12 14.070 -0.707 2.248
90 HD2 TYR 12 HD2 TYR 12 11.806 1.845 -0.367
91 HE1 TYR 12 HE1 TYR 12 13.640 0.853 4.144
92 HE2 TYR 12 HE2 TYR 12 11.391 3.417 1.513
93 HH TYR 12 HH TYR 12 11.750 3.859 3.732
94 H PHE 13 H PHE 13 10.783 -1.776 1.655
95 HA PHE 13 HA PHE 13 8.344 -1.123 0.158
96 HB2 PHE 13 HB2 PHE 13 7.219 -2.080 2.253
97 HB3 PHE 13 HB3 PHE 13 8.023 -3.152 1.112
98 HD1 PHE 13 HD1 PHE 13 8.366 -1.527 4.434
99 HD2 PHE 13 HD2 PHE 13 9.905 -4.478 1.716
100 HE1 PHE 13 HE1 PHE 13 9.782 -2.458 6.248
101 HE2 PHE 13 HE2 PHE 13 11.328 -5.406 3.531
102 HZ PHE 13 HZ PHE 13 11.262 -4.399 5.795
103 H VAL 14 H VAL 14 6.680 0.173 0.815
104 HA VAL 14 HA VAL 14 7.192 2.107 2.978
105 HB VAL 14 HB VAL 14 6.753 4.013 1.526
106 HG11 VAL 14 HG11 VAL 14 8.991 2.320 0.342
107 HG12 VAL 14 HG12 VAL 14 8.853 4.087 0.306
108 HG13 VAL 14 HG13 VAL 14 9.110 3.258 1.856
109 HG21 VAL 14 HG21 VAL 14 5.366 2.908 -0.188
110 HG22 VAL 14 HG22 VAL 14 6.721 3.774 -0.933
111 HG23 VAL 14 HG23 VAL 14 6.789 2.004 -0.766
112 H ASP 15 H ASP 15 5.180 3.438 3.392
113 HA ASP 15 HA ASP 15 2.859 1.779 3.429
114 HB2 ASP 15 HB2 ASP 15 3.352 3.532 5.100
115 HB3 ASP 15 HB3 ASP 15 3.153 4.776 3.858
116 H ASP 16 H ASP 16 0.838 2.101 2.297
117 HA ASP 16 HA ASP 16 1.245 2.415 -0.534
118 HB2 ASP 16 HB2 ASP 16 -0.387 0.877 0.644
119 HB3 ASP 16 HB3 ASP 16 -1.353 2.310 1.056
120 H SER 17 H SER 17 0.670 4.693 1.976
121 HA SER 17 HA SER 17 -0.829 6.583 0.322
122 HB2 SER 17 HB2 SER 17 -1.192 6.382 2.764
123 HB3 SER 17 HB3 SER 17 0.488 6.879 3.051
124 HG SER 17 HG SER 17 0.025 8.853 2.092
125 H LYS 18 H LYS 18 2.467 5.683 0.622
126 HA LYS 18 HA LYS 18 3.591 8.345 0.279
127 HB2 LYS 18 HB2 LYS 18 4.839 5.585 -0.014
128 HB3 LYS 18 HB3 LYS 18 5.725 7.115 0.033
129 HG2 LYS 18 HG2 LYS 18 3.981 6.013 2.275
130 HG3 LYS 18 HG3 LYS 18 5.756 5.994 2.228
131 HD2 LYS 18 HD2 LYS 18 5.745 8.497 2.110
132 HD3 LYS 18 HD3 LYS 18 3.973 8.462 2.302
133 HE2 LYS 18 HE2 LYS 18 4.236 7.258 4.450
134 HE3 LYS 18 HE3 LYS 18 5.998 7.309 4.256
135 HZ1 LYS 18 HZ1 LYS 18 4.233 9.665 4.469
136 HZ2 LYS 18 HZ2 LYS 18 5.195 9.081 5.667
137 HZ3 LYS 18 HZ3 LYS 18 5.866 9.707 4.303
138 H VAL 19 H VAL 19 1.979 6.238 -1.818
139 HA VAL 19 HA VAL 19 3.114 7.662 -4.151
140 HB VAL 19 HB VAL 19 2.668 4.664 -4.164
141 HG11 VAL 19 HG11 VAL 19 3.950 6.640 -6.104
142 HG12 VAL 19 HG12 VAL 19 3.958 4.875 -6.304
143 HG13 VAL 19 HG13 VAL 19 2.419 5.761 -6.344
144 HG21 VAL 19 HG21 VAL 19 4.575 5.144 -2.707
145 HG22 VAL 19 HG22 VAL 19 5.150 4.495 -4.251
146 HG23 VAL 19 HG23 VAL 19 5.266 6.241 -3.933
147 H GLY 20 H GLY 20 1.642 8.088 -5.788
148 HA2 GLY 20 HA2 GLY 20 -1.144 7.082 -5.371
149 HA3 GLY 20 HA3 GLY 20 -0.804 8.777 -5.740
150 HA PRO 21 HA PRO 21 -1.349 6.295 -9.682
151 HB2 PRO 21 HB2 PRO 21 -3.608 7.555 -10.612
152 HB3 PRO 21 HB3 PRO 21 -3.663 6.152 -9.497
153 HG2 PRO 21 HG2 PRO 21 -3.943 9.089 -8.842
154 HG3 PRO 21 HG3 PRO 21 -4.876 7.697 -8.200
155 HD2 PRO 21 HD2 PRO 21 -2.766 8.874 -6.865
156 HD3 PRO 21 HD3 PRO 21 -3.188 7.143 -6.678
157 H ASP 22 H ASP 22 -1.424 9.714 -8.763
158 HA ASP 22 HA ASP 22 -0.619 10.648 -11.403
159 HB2 ASP 22 HB2 ASP 22 -0.845 11.984 -8.692
160 HB3 ASP 22 HB3 ASP 22 -0.347 12.820 -10.174
161 H GLY 23 H GLY 23 0.964 8.937 -9.038
162 HA2 GLY 23 HA2 GLY 23 3.193 8.370 -8.924
163 HA3 GLY 23 HA3 GLY 23 3.593 9.643 -10.087
164 H ARG 24 H ARG 24 5.135 9.117 -7.795
165 HA ARG 24 HA ARG 24 5.150 11.754 -6.562
166 HB2 ARG 24 HB2 ARG 24 3.519 10.499 -5.136
167 HB3 ARG 24 HB3 ARG 24 4.753 9.249 -4.879
168 HG2 ARG 24 HG2 ARG 24 4.646 10.754 -2.957
169 HG3 ARG 24 HG3 ARG 24 6.211 10.908 -3.768
170 HD2 ARG 24 HD2 ARG 24 5.425 12.952 -4.922
171 HD3 ARG 24 HD3 ARG 24 3.836 12.773 -4.158
172 HE ARG 24 HE ARG 24 6.308 13.075 -2.503
173 HH11 ARG 24 HH11 ARG 24 3.123 14.247 -3.501
174 HH12 ARG 24 HH12 ARG 24 3.047 15.461 -2.243
175 HH21 ARG 24 HH21 ARG 24 6.182 14.657 -0.872
176 HH22 ARG 24 HH22 ARG 24 4.771 15.680 -0.746
177 H VAL 25 H VAL 25 7.219 12.252 -5.754
178 HA VAL 25 HA VAL 25 9.339 10.522 -6.717
179 HB VAL 25 HB VAL 25 9.351 13.020 -6.861
180 HG11 VAL 25 HG11 VAL 25 10.026 14.301 -4.885
181 HG12 VAL 25 HG12 VAL 25 8.486 13.465 -4.574
182 HG13 VAL 25 HG13 VAL 25 9.999 12.823 -3.888
183 HG21 VAL 25 HG21 VAL 25 11.405 11.664 -7.114
184 HG22 VAL 25 HG22 VAL 25 11.738 13.237 -6.362
185 HG23 VAL 25 HG23 VAL 25 11.686 11.763 -5.358
186 H VAL 26 H VAL 26 10.959 9.487 -5.534
187 HA VAL 26 HA VAL 26 10.535 9.228 -2.615
188 HB VAL 26 HB VAL 26 10.603 6.845 -2.669
189 HG11 VAL 26 HG11 VAL 26 8.711 7.734 -4.881
190 HG12 VAL 26 HG12 VAL 26 8.568 6.271 -3.889
191 HG13 VAL 26 HG13 VAL 26 8.386 7.875 -3.139
192 HG21 VAL 26 HG21 VAL 26 12.233 6.587 -4.530
193 HG22 VAL 26 HG22 VAL 26 10.808 5.554 -4.756
194 HG23 VAL 26 HG23 VAL 26 10.970 7.061 -5.686
195 H ARG 27 H ARG 27 12.430 8.036 -1.565
196 HA ARG 27 HA ARG 27 14.942 8.478 -3.078
197 HB2 ARG 27 HB2 ARG 27 14.469 10.525 -1.764
198 HB3 ARG 27 HB3 ARG 27 14.405 9.549 -0.283
199 HG2 ARG 27 HG2 ARG 27 16.758 8.875 -0.600
200 HG3 ARG 27 HG3 ARG 27 16.813 9.750 -2.150
201 HD2 ARG 27 HD2 ARG 27 16.288 11.863 -0.920
202 HD3 ARG 27 HD3 ARG 27 16.351 10.960 0.601
203 HE ARG 27 HE ARG 27 18.692 11.137 -1.268
204 HH11 ARG 27 HH11 ARG 27 17.315 11.354 1.978
205 HH12 ARG 27 HH12 ARG 27 18.860 11.633 2.747
206 HH21 ARG 27 HH21 ARG 27 20.697 11.515 -0.247
207 HH22 ARG 27 HH22 ARG 27 20.775 11.712 1.487
208 H CYS 28 H CYS 28 16.626 7.159 -2.536
209 HA CYS 28 HA CYS 28 15.862 4.606 -1.427
210 HB2 CYS 28 HB2 CYS 28 17.366 4.990 -3.404
211 HB3 CYS 28 HB3 CYS 28 18.599 5.628 -2.295
212 H ALA 29 H ALA 29 16.330 3.724 0.532
213 HA ALA 29 HA ALA 29 17.522 5.406 2.601
214 HB1 ALA 29 HB1 ALA 29 16.545 2.520 2.615
215 HB2 ALA 29 HB2 ALA 29 16.985 3.472 4.049
216 HB3 ALA 29 HB3 ALA 29 15.579 3.944 3.053
217 H SER 30 H SER 30 18.787 3.369 0.164
218 HA SER 30 HA SER 30 20.996 2.433 1.925
219 HB2 SER 30 HB2 SER 30 19.764 1.282 -0.595
220 HB3 SER 30 HB3 SER 30 21.271 0.677 0.127
221 HG SER 30 HG SER 30 20.147 0.196 2.001
222 H CYS 31 H CYS 31 20.312 4.471 -0.852
223 HA CYS 31 HA CYS 31 23.197 5.041 -0.919
224 HB2 CYS 31 HB2 CYS 31 23.484 4.761 -3.268
225 HB3 CYS 31 HB3 CYS 31 22.799 3.261 -2.619
226 H GLY 32 H GLY 32 20.049 6.191 -0.853
227 HA2 GLY 32 HA2 GLY 32 19.408 8.386 -0.583
228 HA3 GLY 32 HA3 GLY 32 21.057 8.908 -0.970
229 H ASN 33 H ASN 33 20.014 6.824 -3.416
230 HA ASN 33 HA ASN 33 19.875 8.834 -5.401
231 HB2 ASN 33 HB2 ASN 33 20.435 6.400 -5.715
232 HB3 ASN 33 HB3 ASN 33 18.728 6.015 -5.442
233 HD21 ASN 33 HD22 ASN 33 18.458 5.136 -7.529
234 HD22 ASN 33 HD21 ASN 33 18.423 6.142 -8.964
235 H ARG 34 H ARG 34 18.035 9.537 -6.674
236 HA ARG 34 HA ARG 34 15.402 9.322 -5.301
237 HB2 ARG 34 HB2 ARG 34 16.426 11.355 -4.457
238 HB3 ARG 34 HB3 ARG 34 16.843 11.873 -6.107
239 HG2 ARG 34 HG2 ARG 34 14.441 12.025 -6.677
240 HG3 ARG 34 HG3 ARG 34 14.015 11.460 -5.048
241 HD2 ARG 34 HD2 ARG 34 13.821 13.884 -5.144
242 HD3 ARG 34 HD3 ARG 34 15.156 13.431 -4.074
243 HE ARG 34 HE ARG 34 15.501 14.366 -6.903
244 HH11 ARG 34 HH11 ARG 34 16.596 14.242 -3.540
245 HH12 ARG 34 HH12 ARG 34 17.990 15.253 -3.838
246 HH21 ARG 34 HH21 ARG 34 17.324 15.670 -7.262
247 HH22 ARG 34 HH22 ARG 34 18.399 16.065 -5.942
248 H TRP 35 H TRP 35 13.686 9.168 -6.641
249 HA TRP 35 HA TRP 35 13.777 10.048 -9.414
250 HB2 TRP 35 HB2 TRP 35 13.582 7.880 -10.432
251 HB3 TRP 35 HB3 TRP 35 15.054 7.875 -9.466
252 HD1 TRP 35 HD1 TRP 35 11.766 6.138 -9.890
253 HE1 TRP 35 HE1 TRP 35 11.510 4.207 -8.258
254 HE3 TRP 35 HE3 TRP 35 15.809 7.080 -6.894
255 HZ2 TRP 35 HZ2 TRP 35 12.839 3.221 -5.891
256 HZ3 TRP 35 HZ3 TRP 35 16.269 5.633 -4.949
257 HH2 TRP 35 HH2 TRP 35 14.803 3.701 -4.433
258 H THR 36 H THR 36 11.651 9.635 -10.484
259 HA THR 36 HA THR 36 9.510 9.836 -8.544
260 HB THR 36 HB THR 36 9.054 9.669 -11.500
261 HG1 THR 36 HG1 THR 36 9.561 11.864 -11.594
262 HG21 THR 36 HG21 THR 36 7.825 11.282 -9.221
263 HG22 THR 36 HG22 THR 36 7.309 11.338 -10.924
264 HG23 THR 36 HG23 THR 36 7.114 9.841 -9.983
265 H ALA 37 H ALA 37 7.867 8.472 -8.074
266 HA ALA 37 HA ALA 37 7.990 5.748 -9.289
267 HB1 ALA 37 HB1 ALA 37 7.256 6.551 -6.448
268 HB2 ALA 37 HB2 ALA 37 7.281 4.897 -7.101
269 HB3 ALA 37 HB3 ALA 37 8.797 5.816 -6.950
270 H PHE 38 H PHE 38 5.878 4.584 -9.168
271 HA PHE 38 HA PHE 38 3.523 6.274 -8.910
272 HB2 PHE 38 HB2 PHE 38 2.705 5.448 -11.215
273 HB3 PHE 38 HB3 PHE 38 3.781 6.840 -11.093
274 HD1 PHE 38 HD1 PHE 38 3.551 3.297 -12.112
275 HD2 PHE 38 HD2 PHE 38 6.078 6.777 -11.877
276 HE1 PHE 38 HE1 PHE 38 5.173 2.231 -13.655
277 HE2 PHE 38 HE2 PHE 38 7.689 5.709 -13.418
278 HZ PHE 38 HZ PHE 38 7.239 3.435 -14.313
279 H LYS 39 H LYS 39 1.516 5.218 -8.726
280 HA LYS 39 HA LYS 39 1.838 2.731 -7.301
281 HB2 LYS 39 HB2 LYS 39 0.302 4.447 -6.553
282 HB3 LYS 39 HB3 LYS 39 -0.625 4.336 -8.062
283 HG2 LYS 39 HG2 LYS 39 -1.434 2.162 -7.554
284 HG3 LYS 39 HG3 LYS 39 -0.194 1.894 -6.312
285 HD2 LYS 39 HD2 LYS 39 -2.414 3.967 -6.088
286 HD3 LYS 39 HD3 LYS 39 -2.462 2.344 -5.364
287 HE2 LYS 39 HE2 LYS 39 -0.364 2.841 -4.121
288 HE3 LYS 39 HE3 LYS 39 -0.366 4.479 -4.797
289 HZ1 LYS 39 HZ1 LYS 39 -1.319 4.434 -2.617
290 HZ2 LYS 39 HZ2 LYS 39 -2.479 4.841 -3.713
291 HZ3 LYS 39 HZ3 LYS 39 -2.442 3.325 -3.063
292 H ASP 40 H ASP 40 0.997 0.719 -7.724
293 HA ASP 40 HA ASP 40 -0.278 0.132 -10.303
294 HB2 ASP 40 HB2 ASP 40 2.222 0.219 -10.724
295 HB3 ASP 40 HB3 ASP 40 2.417 -1.078 -9.538
296 H GLU 41 H GLU 41 0.384 -0.420 -6.980
297 HA GLU 41 HA GLU 41 -0.260 -3.217 -6.819
298 HB2 GLU 41 HB2 GLU 41 1.045 -2.009 -5.128
299 HB3 GLU 41 HB3 GLU 41 -0.338 -0.948 -4.786
300 HG2 GLU 41 HG2 GLU 41 -1.648 -2.803 -3.955
301 HG3 GLU 41 HG3 GLU 41 -0.408 -3.966 -4.475
302 H ALA 42 H ALA 42 -2.123 -0.315 -7.272
303 HA ALA 42 HA ALA 42 -4.621 -1.825 -7.254
304 HB1 ALA 42 HB1 ALA 42 -5.708 -0.318 -5.615
305 HB2 ALA 42 HB2 ALA 42 -4.365 -1.222 -4.870
306 HB3 ALA 42 HB3 ALA 42 -4.148 0.485 -5.325
307 H GLU 43 H GLU 43 -6.451 -0.405 -8.000
308 HA GLU 43 HA GLU 43 -5.632 2.076 -9.358
309 HB2 GLU 43 HB2 GLU 43 -5.032 0.339 -10.954
310 HB3 GLU 43 HB3 GLU 43 -6.648 -0.385 -10.835
311 HG2 GLU 43 HG2 GLU 43 -7.683 1.548 -11.855
312 HG3 GLU 43 HG3 GLU 43 -6.172 2.474 -11.750
313 H LEU 44 H LEU 44 -7.972 0.026 -7.875
314 HA LEU 44 HA LEU 44 -10.174 0.219 -7.414
315 HB2 LEU 44 HB2 LEU 44 -9.180 2.114 -6.139
316 HB3 LEU 44 HB3 LEU 44 -9.529 3.188 -7.494
317 HG LEU 44 HG LEU 44 -11.983 2.666 -7.234
318 HD11 LEU 44 HD11 LEU 44 -12.696 1.561 -5.128
319 HD12 LEU 44 HD12 LEU 44 -11.800 0.445 -6.177
320 HD13 LEU 44 HD13 LEU 44 -10.995 1.181 -4.765
321 HD21 LEU 44 HD21 LEU 44 -12.275 3.950 -5.158
322 HD22 LEU 44 HD22 LEU 44 -10.570 3.653 -4.727
323 HD23 LEU 44 HD23 LEU 44 -10.971 4.644 -6.145
324 H GLU 45 H GLU 45 -10.422 -0.652 -9.707
325 HA GLU 45 HA GLU 45 -11.349 1.145 -11.760
326 HB2 GLU 45 HB2 GLU 45 -11.664 -1.869 -11.422
327 HB3 GLU 45 HB3 GLU 45 -11.980 -0.954 -12.912
328 HG2 GLU 45 HG2 GLU 45 -9.607 -0.166 -12.897
329 HG3 GLU 45 HG3 GLU 45 -9.299 -1.181 -11.480
330 H LEU 46 H LEU 46 -12.797 0.195 -8.874
331 HA LEU 46 HA LEU 46 -15.506 -0.241 -9.756
332 HB2 LEU 46 HB2 LEU 46 -14.228 0.530 -7.107
333 HB3 LEU 46 HB3 LEU 46 -15.978 0.378 -7.298
334 HG LEU 46 HG LEU 46 -15.033 -1.650 -6.342
335 HD11 LEU 46 HD11 LEU 46 -15.942 -2.162 -9.201
336 HD12 LEU 46 HD12 LEU 46 -16.060 -3.273 -7.823
337 HD13 LEU 46 HD13 LEU 46 -17.024 -1.777 -7.842
338 HD21 LEU 46 HD21 LEU 46 -13.522 -3.107 -7.531
339 HD22 LEU 46 HD22 LEU 46 -13.526 -2.044 -8.955
340 HD23 LEU 46 HD23 LEU 46 -12.778 -1.501 -7.430
341 H VAL 47 H VAL 47 -17.320 1.215 -9.451
342 HA VAL 47 HA VAL 47 -16.802 3.855 -10.434
343 HB VAL 47 HB VAL 47 -19.203 4.166 -10.294
344 HG11 VAL 47 HG11 VAL 47 -18.574 1.274 -11.043
345 HG12 VAL 47 HG12 VAL 47 -19.961 2.237 -11.593
346 HG13 VAL 47 HG13 VAL 47 -18.314 2.691 -12.086
347 HG21 VAL 47 HG21 VAL 47 -19.602 3.237 -8.042
348 HG22 VAL 47 HG22 VAL 47 -20.673 2.493 -9.241
349 HG23 VAL 47 HG23 VAL 47 -19.254 1.600 -8.654
350 HA PRO 48 HA PRO 48 -16.219 6.035 -6.658
351 HB2 PRO 48 HB2 PRO 48 -16.987 8.567 -7.359
352 HB3 PRO 48 HB3 PRO 48 -15.505 7.791 -8.004
353 HG2 PRO 48 HG2 PRO 48 -18.227 8.034 -9.310
354 HG3 PRO 48 HG3 PRO 48 -16.616 8.302 -10.046
355 HD2 PRO 48 HD2 PRO 48 -18.028 5.956 -10.312
356 HD3 PRO 48 HD3 PRO 48 -16.240 6.003 -10.285
357 H ARG 49 H ARG 49 -19.322 5.503 -8.012
358 HA ARG 49 HA ARG 49 -20.935 7.098 -6.258
359 HB2 ARG 49 HB2 ARG 49 -21.589 4.541 -7.781
360 HB3 ARG 49 HB3 ARG 49 -22.770 5.642 -7.040
361 HG2 ARG 49 HG2 ARG 49 -21.976 7.482 -8.503
362 HG3 ARG 49 HG3 ARG 49 -20.802 6.378 -9.252
363 HD2 ARG 49 HD2 ARG 49 -22.773 6.541 -10.675
364 HD3 ARG 49 HD3 ARG 49 -22.670 4.911 -9.987
365 HE ARG 49 HE ARG 49 -24.581 5.310 -8.699
366 HH11 ARG 49 HH11 ARG 49 -23.558 8.248 -10.378
367 HH12 ARG 49 HH12 ARG 49 -25.049 9.098 -10.047
368 HH21 ARG 49 HH21 ARG 49 -26.522 6.435 -8.299
369 HH22 ARG 49 HH22 ARG 49 -26.725 8.074 -8.875