Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
282761 | 2kru RC | 16649 | cing | 1-original | 5 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 H1 MET 1 H1 MET 1 11.694 -13.286 -3.446
2 H2 MET 1 H2 MET 1 11.364 -14.164 -4.861
3 H3 MET 1 H3 MET 1 11.256 -14.921 -3.344
4 HA MET 1 HA MET 1 9.545 -12.701 -4.288
5 HB2 MET 1 HB2 MET 1 9.105 -14.843 -5.443
6 HB3 MET 1 HB3 MET 1 8.887 -15.629 -3.886
7 HG2 MET 1 HG2 MET 1 6.959 -14.209 -3.429
8 HG3 MET 1 HG3 MET 1 7.189 -13.393 -4.975
9 HE1 MET 1 HE1 MET 1 4.644 -13.878 -5.543
10 HE2 MET 1 HE2 MET 1 4.413 -14.765 -4.034
11 HE3 MET 1 HE3 MET 1 3.929 -15.491 -5.567
12 H GLY 2 H GLY 2 9.590 -11.469 -2.471
13 HA2 GLY 2 HA2 GLY 2 8.371 -12.711 -0.089
14 HA3 GLY 2 HA3 GLY 2 9.791 -11.685 0.076
15 H GLU 3 H GLU 3 7.524 -10.960 -2.379
16 HA GLU 3 HA GLU 3 6.673 -8.586 -0.877
17 HB2 GLU 3 HB2 GLU 3 6.532 -8.982 -3.871
18 HB3 GLU 3 HB3 GLU 3 6.312 -7.485 -2.980
19 HG2 GLU 3 HG2 GLU 3 8.424 -7.225 -3.838
20 HG3 GLU 3 HG3 GLU 3 8.763 -7.859 -2.230
21 H LEU 4 H LEU 4 4.455 -7.955 -0.986
22 HA LEU 4 HA LEU 4 2.615 -10.162 -1.245
23 HB2 LEU 4 HB2 LEU 4 2.166 -7.242 -0.646
24 HB3 LEU 4 HB3 LEU 4 0.901 -8.455 -0.645
25 HG LEU 4 HG LEU 4 3.269 -8.352 1.224
26 HD11 LEU 4 HD11 LEU 4 1.591 -7.923 2.925
27 HD12 LEU 4 HD12 LEU 4 0.319 -7.977 1.706
28 HD13 LEU 4 HD13 LEU 4 1.522 -6.689 1.667
29 HD21 LEU 4 HD21 LEU 4 2.227 -10.262 2.337
30 HD22 LEU 4 HD22 LEU 4 2.659 -10.658 0.672
31 HD23 LEU 4 HD23 LEU 4 0.980 -10.314 1.090
32 H SER 5 H SER 5 0.431 -9.555 -2.377
33 HA SER 5 HA SER 5 1.088 -8.997 -5.148
34 HB2 SER 5 HB2 SER 5 -1.598 -9.718 -3.949
35 HB3 SER 5 HB3 SER 5 -1.126 -9.825 -5.644
36 HG SER 5 HG SER 5 0.622 -11.280 -4.642
37 H TRP 6 H TRP 6 0.891 -7.033 -6.007
38 HA TRP 6 HA TRP 6 -0.747 -5.057 -4.573
39 HB2 TRP 6 HB2 TRP 6 1.781 -4.868 -6.132
40 HB3 TRP 6 HB3 TRP 6 0.687 -3.489 -6.164
41 HD1 TRP 6 HD1 TRP 6 2.593 -5.652 -3.575
42 HE1 TRP 6 HE1 TRP 6 3.094 -4.169 -1.528
43 HE3 TRP 6 HE3 TRP 6 0.131 -1.417 -5.020
44 HZ2 TRP 6 HZ2 TRP 6 2.507 -1.553 -0.642
45 HZ3 TRP 6 HZ3 TRP 6 0.145 0.530 -3.517
46 HH2 TRP 6 HH2 TRP 6 1.311 0.460 -1.374
47 H THR 7 H THR 7 -2.420 -4.113 -5.520
48 HA THR 7 HA THR 7 -3.107 -5.009 -8.217
49 HB THR 7 HB THR 7 -5.386 -4.111 -7.642
50 HG1 THR 7 HG1 THR 7 -4.363 -3.983 -4.977
51 HG21 THR 7 HG21 THR 7 -5.962 -5.958 -6.136
52 HG22 THR 7 HG22 THR 7 -4.251 -6.205 -5.790
53 HG23 THR 7 HG23 THR 7 -4.870 -6.486 -7.417
54 H ALA 8 H ALA 8 -4.037 -3.502 -9.733
55 HA ALA 8 HA ALA 8 -2.513 -1.189 -10.111
56 HB1 ALA 8 HB1 ALA 8 -5.183 -1.866 -11.336
57 HB2 ALA 8 HB2 ALA 8 -3.613 -2.404 -11.930
58 HB3 ALA 8 HB3 ALA 8 -4.023 -0.689 -11.950
59 H GLU 9 H GLU 9 -5.446 -1.699 -8.359
60 HA GLU 9 HA GLU 9 -6.413 0.952 -8.305
61 HB2 GLU 9 HB2 GLU 9 -6.792 -1.376 -6.422
62 HB3 GLU 9 HB3 GLU 9 -7.663 0.146 -6.280
63 HG2 GLU 9 HG2 GLU 9 -8.796 -0.182 -8.305
64 HG3 GLU 9 HG3 GLU 9 -7.705 -1.476 -8.800
65 H ALA 10 H ALA 10 -4.343 -0.872 -6.071
66 HA ALA 10 HA ALA 10 -4.003 1.315 -4.268
67 HB1 ALA 10 HB1 ALA 10 -3.760 -1.010 -3.538
68 HB2 ALA 10 HB2 ALA 10 -2.298 -0.078 -3.212
69 HB3 ALA 10 HB3 ALA 10 -2.347 -1.191 -4.577
70 H GLU 11 H GLU 11 -2.101 -0.041 -6.920
71 HA GLU 11 HA GLU 11 0.161 1.602 -6.522
72 HB2 GLU 11 HB2 GLU 11 -0.766 0.144 -8.998
73 HB3 GLU 11 HB3 GLU 11 0.815 0.894 -8.810
74 HG2 GLU 11 HG2 GLU 11 1.206 -0.592 -6.847
75 HG3 GLU 11 HG3 GLU 11 -0.306 -1.411 -7.234
76 H LYS 12 H LYS 12 -2.825 2.083 -8.290
77 HA LYS 12 HA LYS 12 -2.083 4.307 -9.829
78 HB2 LYS 12 HB2 LYS 12 -4.181 3.196 -10.226
79 HB3 LYS 12 HB3 LYS 12 -4.739 3.559 -8.600
80 HG2 LYS 12 HG2 LYS 12 -4.853 5.911 -9.122
81 HG3 LYS 12 HG3 LYS 12 -4.175 5.619 -10.723
82 HD2 LYS 12 HD2 LYS 12 -6.739 4.357 -9.778
83 HD3 LYS 12 HD3 LYS 12 -6.688 5.915 -10.605
84 HE2 LYS 12 HE2 LYS 12 -5.678 4.891 -12.547
85 HE3 LYS 12 HE3 LYS 12 -5.574 3.341 -11.716
86 HZ1 LYS 12 HZ1 LYS 12 -8.156 4.712 -12.197
87 HZ2 LYS 12 HZ2 LYS 12 -7.891 3.092 -11.765
88 HZ3 LYS 12 HZ3 LYS 12 -7.477 3.634 -13.316
89 H MET 13 H MET 13 -3.044 4.028 -6.461
90 HA MET 13 HA MET 13 -3.068 6.881 -6.042
91 HB2 MET 13 HB2 MET 13 -3.212 4.542 -4.141
92 HB3 MET 13 HB3 MET 13 -3.234 6.217 -3.605
93 HG2 MET 13 HG2 MET 13 -5.265 6.613 -4.883
94 HG3 MET 13 HG3 MET 13 -5.235 4.948 -5.461
95 HE1 MET 13 HE1 MET 13 -5.936 2.894 -2.243
96 HE2 MET 13 HE2 MET 13 -4.367 3.288 -2.944
97 HE3 MET 13 HE3 MET 13 -5.714 2.848 -3.990
98 H LEU 14 H LEU 14 -0.829 4.225 -5.550
99 HA LEU 14 HA LEU 14 1.096 5.691 -4.069
100 HB2 LEU 14 HB2 LEU 14 0.979 3.232 -4.107
101 HB3 LEU 14 HB3 LEU 14 1.454 3.236 -5.792
102 HG LEU 14 HG LEU 14 3.626 4.261 -5.138
103 HD11 LEU 14 HD11 LEU 14 4.278 4.210 -2.779
104 HD12 LEU 14 HD12 LEU 14 2.637 3.735 -2.339
105 HD13 LEU 14 HD13 LEU 14 2.934 5.315 -3.064
106 HD21 LEU 14 HD21 LEU 14 4.580 2.221 -4.200
107 HD22 LEU 14 HD22 LEU 14 3.422 1.851 -5.476
108 HD23 LEU 14 HD23 LEU 14 2.966 1.647 -3.785
109 H GLY 15 H GLY 15 0.421 5.327 -7.464
110 HA2 GLY 15 HA2 GLY 15 2.879 6.317 -8.477
111 HA3 GLY 15 HA3 GLY 15 1.347 6.270 -9.340
112 H LYS 16 H LYS 16 0.395 7.876 -6.801
113 HA LYS 16 HA LYS 16 0.891 10.491 -7.986
114 HB2 LYS 16 HB2 LYS 16 -0.819 9.687 -5.624
115 HB3 LYS 16 HB3 LYS 16 -0.789 11.280 -6.367
116 HG2 LYS 16 HG2 LYS 16 -1.718 8.727 -7.666
117 HG3 LYS 16 HG3 LYS 16 -2.741 10.041 -7.085
118 HD2 LYS 16 HD2 LYS 16 -1.685 11.557 -8.713
119 HD3 LYS 16 HD3 LYS 16 -0.708 10.214 -9.310
120 HE2 LYS 16 HE2 LYS 16 -3.723 10.332 -9.343
121 HE3 LYS 16 HE3 LYS 16 -2.675 10.665 -10.721
122 HZ1 LYS 16 HZ1 LYS 16 -2.727 8.075 -9.271
123 HZ2 LYS 16 HZ2 LYS 16 -1.911 8.419 -10.715
124 HZ3 LYS 16 HZ3 LYS 16 -3.608 8.392 -10.683
125 H VAL 17 H VAL 17 2.500 8.561 -5.980
126 HA VAL 17 HA VAL 17 3.373 10.664 -4.122
127 HB VAL 17 HB VAL 17 3.572 7.650 -3.963
128 HG11 VAL 17 HG11 VAL 17 4.481 7.977 -1.710
129 HG12 VAL 17 HG12 VAL 17 4.518 9.719 -1.986
130 HG13 VAL 17 HG13 VAL 17 5.540 8.650 -2.948
131 HG21 VAL 17 HG21 VAL 17 1.340 8.482 -3.534
132 HG22 VAL 17 HG22 VAL 17 1.971 9.625 -2.350
133 HG23 VAL 17 HG23 VAL 17 2.068 7.892 -2.041
134 HA PRO 18 HA PRO 18 7.170 11.096 -6.443
135 HB2 PRO 18 HB2 PRO 18 8.252 11.551 -3.700
136 HB3 PRO 18 HB3 PRO 18 8.465 12.511 -5.168
137 HG2 PRO 18 HG2 PRO 18 6.800 13.310 -3.256
138 HG3 PRO 18 HG3 PRO 18 6.389 13.520 -4.969
139 HD2 PRO 18 HD2 PRO 18 5.344 11.551 -2.993
140 HD3 PRO 18 HD3 PRO 18 4.518 12.330 -4.357
141 H PHE 19 H PHE 19 8.919 9.853 -6.926
142 HA PHE 19 HA PHE 19 8.793 7.163 -6.254
143 HB2 PHE 19 HB2 PHE 19 10.932 6.916 -7.459
144 HB3 PHE 19 HB3 PHE 19 9.772 7.901 -8.341
145 HD1 PHE 19 HD2 PHE 19 10.143 10.287 -8.637
146 HD2 PHE 19 HD1 PHE 19 12.966 7.863 -6.571
147 HE1 PHE 19 HE2 PHE 19 11.821 12.073 -8.842
148 HE2 PHE 19 HE1 PHE 19 14.651 9.647 -6.775
149 HZ PHE 19 HZ PHE 19 14.078 11.755 -7.911
150 H PHE 20 H PHE 20 10.593 9.696 -4.642
151 HA PHE 20 HA PHE 20 12.384 7.821 -3.388
152 HB2 PHE 20 HB2 PHE 20 13.258 9.807 -2.168
153 HB3 PHE 20 HB3 PHE 20 13.318 9.946 -3.921
154 HD1 PHE 20 HD1 PHE 20 11.685 11.130 -0.862
155 HD2 PHE 20 HD2 PHE 20 12.004 11.568 -5.078
156 HE1 PHE 20 HE1 PHE 20 10.489 13.268 -0.724
157 HE2 PHE 20 HE2 PHE 20 10.809 13.708 -4.950
158 HZ PHE 20 HZ PHE 20 10.047 14.568 -2.770
159 H VAL 21 H VAL 21 9.243 8.807 -2.756
160 HA VAL 21 HA VAL 21 9.540 7.865 0.018
161 HB VAL 21 HB VAL 21 7.322 9.091 0.442
162 HG11 VAL 21 HG11 VAL 21 8.495 11.143 1.009
163 HG12 VAL 21 HG12 VAL 21 9.826 10.689 -0.055
164 HG13 VAL 21 HG13 VAL 21 9.487 9.734 1.387
165 HG21 VAL 21 HG21 VAL 21 6.954 11.083 -0.930
166 HG22 VAL 21 HG22 VAL 21 6.785 9.606 -1.880
167 HG23 VAL 21 HG23 VAL 21 8.252 10.578 -2.011
168 H ARG 22 H ARG 22 8.463 7.013 -2.968
169 HA ARG 22 HA ARG 22 6.021 5.739 -2.448
170 HB2 ARG 22 HB2 ARG 22 8.210 5.180 -4.431
171 HB3 ARG 22 HB3 ARG 22 6.795 4.142 -4.323
172 HG2 ARG 22 HG2 ARG 22 5.381 6.130 -4.722
173 HG3 ARG 22 HG3 ARG 22 6.852 7.069 -4.979
174 HD2 ARG 22 HD2 ARG 22 7.478 5.516 -6.798
175 HD3 ARG 22 HD3 ARG 22 5.946 4.675 -6.573
176 HE ARG 22 HE ARG 22 5.590 7.475 -7.042
177 HH11 ARG 22 HH11 ARG 22 6.095 4.363 -8.586
178 HH12 ARG 22 HH12 ARG 22 5.471 4.890 -10.123
179 HH21 ARG 22 HH21 ARG 22 4.762 8.160 -9.067
180 HH22 ARG 22 HH22 ARG 22 4.714 7.034 -10.397
181 H LYS 23 H LYS 23 9.343 4.714 -1.992
182 HA LYS 23 HA LYS 23 8.716 2.012 -1.420
183 HB2 LYS 23 HB2 LYS 23 11.190 3.536 -0.591
184 HB3 LYS 23 HB3 LYS 23 11.032 1.793 -0.743
185 HG2 LYS 23 HG2 LYS 23 10.915 3.793 -2.989
186 HG3 LYS 23 HG3 LYS 23 12.258 2.713 -2.615
187 HD2 LYS 23 HD2 LYS 23 10.787 0.781 -3.046
188 HD3 LYS 23 HD3 LYS 23 9.484 1.891 -3.478
189 HE2 LYS 23 HE2 LYS 23 10.538 1.098 -5.492
190 HE3 LYS 23 HE3 LYS 23 10.922 2.806 -5.276
191 HZ1 LYS 23 HZ1 LYS 23 12.693 0.488 -4.727
192 HZ2 LYS 23 HZ2 LYS 23 13.068 2.085 -4.292
193 HZ3 LYS 23 HZ3 LYS 23 12.892 1.671 -5.924
194 H LYS 24 H LYS 24 8.983 4.921 0.465
195 HA LYS 24 HA LYS 24 9.028 3.838 3.052
196 HB2 LYS 24 HB2 LYS 24 9.463 6.202 2.598
197 HB3 LYS 24 HB3 LYS 24 7.813 6.418 2.040
198 HG2 LYS 24 HG2 LYS 24 6.990 5.941 4.295
199 HG3 LYS 24 HG3 LYS 24 8.656 5.748 4.851
200 HD2 LYS 24 HD2 LYS 24 9.143 8.058 4.223
201 HD3 LYS 24 HD3 LYS 24 7.493 8.254 3.633
202 HE2 LYS 24 HE2 LYS 24 8.219 7.583 6.479
203 HE3 LYS 24 HE3 LYS 24 7.899 9.214 5.895
204 HZ1 LYS 24 HZ1 LYS 24 5.669 8.400 5.198
205 HZ2 LYS 24 HZ2 LYS 24 5.920 8.379 6.872
206 HZ3 LYS 24 HZ3 LYS 24 5.997 6.936 5.992
207 H VAL 25 H VAL 25 6.343 4.749 0.932
208 HA VAL 25 HA VAL 25 4.335 3.907 2.791
209 HB VAL 25 HB VAL 25 4.051 4.441 -0.169
210 HG11 VAL 25 HG11 VAL 25 2.187 3.184 0.755
211 HG12 VAL 25 HG12 VAL 25 1.693 4.833 0.374
212 HG13 VAL 25 HG13 VAL 25 2.007 4.371 2.045
213 HG21 VAL 25 HG21 VAL 25 4.988 6.376 0.990
214 HG22 VAL 25 HG22 VAL 25 3.675 6.317 2.164
215 HG23 VAL 25 HG23 VAL 25 3.330 6.686 0.476
216 H ARG 26 H ARG 26 5.664 2.565 -0.230
217 HA ARG 26 HA ARG 26 3.849 0.434 -0.445
218 HB2 ARG 26 HB2 ARG 26 5.316 1.341 -2.273
219 HB3 ARG 26 HB3 ARG 26 6.661 0.475 -1.544
220 HG2 ARG 26 HG2 ARG 26 5.647 -1.633 -1.987
221 HG3 ARG 26 HG3 ARG 26 4.132 -0.867 -2.466
222 HD2 ARG 26 HD2 ARG 26 5.359 0.221 -4.343
223 HD3 ARG 26 HD3 ARG 26 6.777 -0.731 -3.904
224 HE ARG 26 HE ARG 26 5.315 -2.730 -4.339
225 HH11 ARG 26 HH11 ARG 26 4.801 0.332 -5.965
226 HH12 ARG 26 HH12 ARG 26 3.977 -0.385 -7.313
227 HH21 ARG 26 HH21 ARG 26 4.225 -3.660 -6.122
228 HH22 ARG 26 HH22 ARG 26 3.638 -2.636 -7.403
229 H LYS 27 H LYS 27 7.083 0.541 1.020
230 HA LYS 27 HA LYS 27 7.119 -2.234 1.666
231 HB2 LYS 27 HB2 LYS 27 9.193 -0.978 1.504
232 HB3 LYS 27 HB3 LYS 27 8.686 0.081 2.812
233 HG2 LYS 27 HG2 LYS 27 8.802 -1.738 4.388
234 HG3 LYS 27 HG3 LYS 27 9.178 -2.875 3.096
235 HD2 LYS 27 HD2 LYS 27 11.229 -2.364 4.175
236 HD3 LYS 27 HD3 LYS 27 11.240 -1.512 2.634
237 HE2 LYS 27 HE2 LYS 27 10.464 -0.234 5.251
238 HE3 LYS 27 HE3 LYS 27 12.098 -0.204 4.598
239 HZ1 LYS 27 HZ1 LYS 27 11.196 1.790 3.897
240 HZ2 LYS 27 HZ2 LYS 27 9.671 1.125 3.582
241 HZ3 LYS 27 HZ3 LYS 27 10.971 0.801 2.534
242 H ASN 28 H ASN 28 6.010 0.659 3.303
243 HA ASN 28 HA ASN 28 5.644 -0.519 5.860
244 HB2 ASN 28 HB2 ASN 28 5.682 2.003 5.150
245 HB3 ASN 28 HB3 ASN 28 3.964 1.761 4.863
246 HD21 ASN 28 HD21 ASN 28 5.310 3.468 6.776
247 HD22 ASN 28 HD22 ASN 28 4.728 2.991 8.333
248 H THR 29 H THR 29 3.460 0.083 3.110
249 HA THR 29 HA THR 29 1.175 -1.108 4.239
250 HB THR 29 HB THR 29 0.590 -1.544 1.759
251 HG1 THR 29 HG1 THR 29 2.901 -1.218 1.164
252 HG21 THR 29 HG21 THR 29 -0.383 0.260 3.058
253 HG22 THR 29 HG22 THR 29 -0.001 0.812 1.427
254 HG23 THR 29 HG23 THR 29 1.043 1.256 2.778
255 H ASP 30 H ASP 30 3.893 -2.456 2.442
256 HA ASP 30 HA ASP 30 2.874 -5.021 1.985
257 HB2 ASP 30 HB2 ASP 30 5.036 -4.113 1.056
258 HB3 ASP 30 HB3 ASP 30 5.754 -4.342 2.647
259 H ASN 31 H ASN 31 4.692 -3.696 4.729
260 HA ASN 31 HA ASN 31 4.532 -6.086 6.273
261 HB2 ASN 31 HB2 ASN 31 5.233 -3.238 6.946
262 HB3 ASN 31 HB3 ASN 31 5.111 -4.469 8.195
263 HD21 ASN 31 HD21 ASN 31 6.312 -5.037 4.935
264 HD22 ASN 31 HD22 ASN 31 7.942 -5.363 5.404
265 H TYR 32 H TYR 32 2.443 -3.308 5.848
266 HA TYR 32 HA TYR 32 0.954 -3.662 8.244
267 HB2 TYR 32 HB2 TYR 32 0.960 -1.530 7.039
268 HB3 TYR 32 HB3 TYR 32 0.183 -2.296 5.658
269 HD1 TYR 32 HD1 TYR 32 -0.302 -1.393 9.213
270 HD2 TYR 32 HD2 TYR 32 -2.170 -2.500 5.555
271 HE1 TYR 32 HE1 TYR 32 -2.495 -0.863 10.177
272 HE2 TYR 32 HE2 TYR 32 -4.373 -1.971 6.512
273 HH TYR 32 HH TYR 32 -5.432 -1.777 8.701
274 H ALA 33 H ALA 33 0.368 -4.603 4.872
275 HA ALA 33 HA ALA 33 -2.141 -5.792 5.323
276 HB1 ALA 33 HB1 ALA 33 -1.849 -6.824 3.137
277 HB2 ALA 33 HB2 ALA 33 -0.138 -6.401 3.154
278 HB3 ALA 33 HB3 ALA 33 -1.360 -5.129 3.101
279 H ARG 34 H ARG 34 1.143 -7.121 5.406
280 HA ARG 34 HA ARG 34 0.391 -9.819 5.798
281 HB2 ARG 34 HB2 ARG 34 2.887 -8.433 6.801
282 HB3 ARG 34 HB3 ARG 34 2.669 -10.167 6.585
283 HG2 ARG 34 HG2 ARG 34 2.531 -9.933 4.233
284 HG3 ARG 34 HG3 ARG 34 2.460 -8.178 4.359
285 HD2 ARG 34 HD2 ARG 34 4.658 -8.419 3.827
286 HD3 ARG 34 HD3 ARG 34 4.767 -8.522 5.583
287 HE ARG 34 HE ARG 34 4.692 -11.030 5.183
288 HH11 ARG 34 HH11 ARG 34 6.001 -8.735 2.891
289 HH12 ARG 34 HH12 ARG 34 7.125 -9.873 2.202
290 HH21 ARG 34 HH21 ARG 34 6.170 -12.530 4.298
291 HH22 ARG 34 HH22 ARG 34 7.252 -12.021 3.029
292 H GLU 35 H GLU 35 0.898 -7.121 7.978
293 HA GLU 35 HA GLU 35 0.795 -8.563 10.375
294 HB2 GLU 35 HB2 GLU 35 1.626 -6.273 10.284
295 HB3 GLU 35 HB3 GLU 35 0.035 -5.690 9.818
296 HG2 GLU 35 HG2 GLU 35 -0.863 -6.356 11.974
297 HG3 GLU 35 HG3 GLU 35 0.710 -7.001 12.440
298 H ILE 36 H ILE 36 -1.741 -7.064 8.416
299 HA ILE 36 HA ILE 36 -3.794 -7.793 10.324
300 HB ILE 36 HB ILE 36 -5.387 -6.774 8.796
301 HG12 ILE 36 HG12 ILE 36 -3.032 -6.313 6.951
302 HG13 ILE 36 HG13 ILE 36 -4.310 -7.492 6.676
303 HG21 ILE 36 HG21 ILE 36 -4.198 -5.335 10.344
304 HG22 ILE 36 HG22 ILE 36 -4.505 -4.482 8.832
305 HG23 ILE 36 HG23 ILE 36 -2.896 -5.117 9.174
306 HD11 ILE 36 HD11 ILE 36 -4.666 -4.507 6.824
307 HD12 ILE 36 HD12 ILE 36 -5.947 -5.688 6.545
308 HD13 ILE 36 HD13 ILE 36 -4.659 -5.485 5.357
309 H GLY 37 H GLY 37 -2.293 -9.258 7.622
310 HA2 GLY 37 HA2 GLY 37 -2.554 -11.577 7.197
311 HA3 GLY 37 HA3 GLY 37 -4.173 -11.495 7.872
312 H GLU 38 H GLU 38 -2.789 -9.368 5.428
313 HA GLU 38 HA GLU 38 -4.738 -10.427 3.486
314 HB2 GLU 38 HB2 GLU 38 -5.376 -8.200 4.281
315 HB3 GLU 38 HB3 GLU 38 -3.786 -7.580 3.867
316 HG2 GLU 38 HG2 GLU 38 -5.303 -6.893 2.180
317 HG3 GLU 38 HG3 GLU 38 -4.258 -8.134 1.493
318 HA PRO 39 HA PRO 39 -0.841 -11.167 1.338
319 HB2 PRO 39 HB2 PRO 39 -2.480 -12.586 -0.612
320 HB3 PRO 39 HB3 PRO 39 -1.239 -13.219 0.472
321 HG2 PRO 39 HG2 PRO 39 -3.873 -13.775 0.780
322 HG3 PRO 39 HG3 PRO 39 -2.743 -13.679 2.143
323 HD2 PRO 39 HD2 PRO 39 -4.715 -11.642 1.170
324 HD3 PRO 39 HD3 PRO 39 -4.315 -12.121 2.835
325 H VAL 40 H VAL 40 -3.764 -9.732 0.114
326 HA VAL 40 HA VAL 40 -2.277 -8.733 -2.231
327 HB VAL 40 HB VAL 40 -5.255 -9.211 -2.052
328 HG11 VAL 40 HG11 VAL 40 -3.518 -8.403 -4.379
329 HG12 VAL 40 HG12 VAL 40 -4.685 -7.379 -3.544
330 HG13 VAL 40 HG13 VAL 40 -5.238 -8.777 -4.466
331 HG21 VAL 40 HG21 VAL 40 -4.074 -11.325 -2.089
332 HG22 VAL 40 HG22 VAL 40 -3.116 -10.794 -3.470
333 HG23 VAL 40 HG23 VAL 40 -4.851 -11.049 -3.649
334 H VAL 41 H VAL 41 -1.785 -6.658 -1.971
335 HA VAL 41 HA VAL 41 -3.288 -4.932 -0.224
336 HB VAL 41 HB VAL 41 -1.012 -4.290 -2.117
337 HG11 VAL 41 HG11 VAL 41 -2.267 -2.589 0.037
338 HG12 VAL 41 HG12 VAL 41 -2.377 -2.314 -1.702
339 HG13 VAL 41 HG13 VAL 41 -0.819 -2.180 -0.884
340 HG21 VAL 41 HG21 VAL 41 0.335 -4.164 -0.060
341 HG22 VAL 41 HG22 VAL 41 -0.329 -5.777 -0.324
342 HG23 VAL 41 HG23 VAL 41 -1.061 -4.706 0.870
343 H THR 42 H THR 42 -5.241 -4.349 -0.883
344 HA THR 42 HA THR 42 -5.669 -3.571 -3.671
345 HB THR 42 HB THR 42 -8.101 -3.557 -2.965
346 HG1 THR 42 HG1 THR 42 -7.789 -5.196 -0.850
347 HG21 THR 42 HG21 THR 42 -8.297 -6.009 -2.950
348 HG22 THR 42 HG22 THR 42 -6.566 -6.137 -2.641
349 HG23 THR 42 HG23 THR 42 -7.140 -5.451 -4.160
350 H ALA 43 H ALA 43 -7.596 -1.762 -3.630
351 HA ALA 43 HA ALA 43 -6.363 0.635 -2.750
352 HB1 ALA 43 HB1 ALA 43 -8.439 1.727 -3.461
353 HB2 ALA 43 HB2 ALA 43 -9.214 0.150 -3.618
354 HB3 ALA 43 HB3 ALA 43 -7.866 0.581 -4.672
355 H ASP 44 H ASP 44 -8.871 -1.444 -1.450
356 HA ASP 44 HA ASP 44 -9.686 0.246 0.671
357 HB2 ASP 44 HB2 ASP 44 -11.102 -1.588 -0.016
358 HB3 ASP 44 HB3 ASP 44 -9.837 -2.761 0.338
359 H VAL 45 H VAL 45 -7.309 -2.385 0.472
360 HA VAL 45 HA VAL 45 -6.505 -2.307 3.173
361 HB VAL 45 HB VAL 45 -4.900 -3.156 0.752
362 HG11 VAL 45 HG11 VAL 45 -4.457 -3.732 3.681
363 HG12 VAL 45 HG12 VAL 45 -3.449 -2.713 2.654
364 HG13 VAL 45 HG13 VAL 45 -3.549 -4.446 2.347
365 HG21 VAL 45 HG21 VAL 45 -6.977 -4.407 0.997
366 HG22 VAL 45 HG22 VAL 45 -6.574 -4.770 2.674
367 HG23 VAL 45 HG23 VAL 45 -5.586 -5.424 1.369
368 H PHE 46 H PHE 46 -5.208 -0.692 0.282
369 HA PHE 46 HA PHE 46 -3.093 0.669 1.536
370 HB2 PHE 46 HB2 PHE 46 -3.524 0.437 -0.956
371 HB3 PHE 46 HB3 PHE 46 -4.731 1.704 -0.790
372 HD1 PHE 46 HD2 PHE 46 -3.992 4.013 -0.089
373 HD2 PHE 46 HD1 PHE 46 -1.240 0.929 -1.116
374 HE1 PHE 46 HE2 PHE 46 -2.234 5.698 -0.427
375 HE2 PHE 46 HE1 PHE 46 0.517 2.611 -1.459
376 HZ PHE 46 HZ PHE 46 0.023 4.998 -1.115
377 H ARG 47 H ARG 47 -6.486 1.473 1.091
378 HA ARG 47 HA ARG 47 -6.478 4.091 2.098
379 HB2 ARG 47 HB2 ARG 47 -8.338 2.862 0.882
380 HB3 ARG 47 HB3 ARG 47 -8.702 2.075 2.407
381 HG2 ARG 47 HG2 ARG 47 -10.218 3.902 2.071
382 HG3 ARG 47 HG3 ARG 47 -9.134 4.289 3.410
383 HD2 ARG 47 HD2 ARG 47 -8.282 5.162 0.718
384 HD3 ARG 47 HD3 ARG 47 -9.674 5.994 1.410
385 HE ARG 47 HE ARG 47 -7.941 6.092 3.445
386 HH11 ARG 47 HH11 ARG 47 -7.471 6.809 0.034
387 HH12 ARG 47 HH12 ARG 47 -6.304 8.051 0.335
388 HH21 ARG 47 HH21 ARG 47 -6.438 7.735 3.830
389 HH22 ARG 47 HH22 ARG 47 -5.702 8.587 2.491
390 H LYS 48 H LYS 48 -7.163 1.005 3.734
391 HA LYS 48 HA LYS 48 -7.502 2.059 6.321
392 HB2 LYS 48 HB2 LYS 48 -6.697 -0.687 5.363
393 HB3 LYS 48 HB3 LYS 48 -6.983 -0.308 7.056
394 HG2 LYS 48 HG2 LYS 48 -9.267 0.167 6.658
395 HG3 LYS 48 HG3 LYS 48 -9.031 0.145 4.909
396 HD2 LYS 48 HD2 LYS 48 -8.560 -2.224 4.964
397 HD3 LYS 48 HD3 LYS 48 -8.659 -2.232 6.726
398 HE2 LYS 48 HE2 LYS 48 -10.978 -1.804 6.697
399 HE3 LYS 48 HE3 LYS 48 -10.952 -1.367 4.988
400 HZ1 LYS 48 HZ1 LYS 48 -10.518 -3.620 4.401
401 HZ2 LYS 48 HZ2 LYS 48 -11.875 -3.597 5.419
402 HZ3 LYS 48 HZ3 LYS 48 -10.366 -4.087 6.025
403 H ALA 49 H ALA 49 -4.656 0.833 4.634
404 HA ALA 49 HA ALA 49 -2.853 0.987 6.791
405 HB1 ALA 49 HB1 ALA 49 -2.257 1.311 3.852
406 HB2 ALA 49 HB2 ALA 49 -2.393 -0.229 4.699
407 HB3 ALA 49 HB3 ALA 49 -1.100 0.896 5.119
408 H LYS 50 H LYS 50 -3.742 3.312 4.272
409 HA LYS 50 HA LYS 50 -1.915 5.318 4.979
410 HB2 LYS 50 HB2 LYS 50 -3.218 5.233 2.856
411 HB3 LYS 50 HB3 LYS 50 -4.659 5.675 3.761
412 HG2 LYS 50 HG2 LYS 50 -3.663 7.585 2.599
413 HG3 LYS 50 HG3 LYS 50 -3.684 7.803 4.349
414 HD2 LYS 50 HD2 LYS 50 -1.354 7.253 4.502
415 HD3 LYS 50 HD3 LYS 50 -1.300 6.815 2.795
416 HE2 LYS 50 HE2 LYS 50 -0.338 9.031 3.188
417 HE3 LYS 50 HE3 LYS 50 -1.771 9.107 2.165
418 HZ1 LYS 50 HZ1 LYS 50 -1.829 9.628 5.088
419 HZ2 LYS 50 HZ2 LYS 50 -3.062 9.927 3.961
420 HZ3 LYS 50 HZ3 LYS 50 -1.639 10.839 3.924
421 H GLU 51 H GLU 51 -5.318 4.852 5.941
422 HA GLU 51 HA GLU 51 -5.473 7.035 7.694
423 HB2 GLU 51 HB2 GLU 51 -7.010 4.540 7.293
424 HB3 GLU 51 HB3 GLU 51 -7.172 5.298 8.870
425 HG2 GLU 51 HG2 GLU 51 -8.930 6.084 7.477
426 HG3 GLU 51 HG3 GLU 51 -7.798 7.408 7.733
427 H HIS 52 H HIS 52 -4.253 3.786 8.156
428 HA HIS 52 HA HIS 52 -4.045 3.901 10.984
429 HB2 HIS 52 HB2 HIS 52 -4.074 1.793 9.690
430 HB3 HIS 52 HB3 HIS 52 -2.498 2.195 9.021
431 HD1 HIS 52 HD1 HIS 52 -4.170 0.948 12.111
432 HD2 HIS 52 HD2 HIS 52 -0.330 1.782 10.751
433 HE1 HIS 52 HE1 HIS 52 -2.611 -0.107 13.780
434 HE2 HIS 52 HE2 HIS 52 -0.316 0.200 12.795
435 H LEU 53 H LEU 53 -1.771 4.566 8.354
436 HA LEU 53 HA LEU 53 0.415 5.089 10.153
437 HB2 LEU 53 HB2 LEU 53 0.163 5.704 7.210
438 HB3 LEU 53 HB3 LEU 53 1.648 5.709 8.140
439 HG LEU 53 HG LEU 53 -0.057 3.277 7.619
440 HD11 LEU 53 HD11 LEU 53 1.777 2.584 6.143
441 HD12 LEU 53 HD12 LEU 53 2.549 4.151 6.387
442 HD13 LEU 53 HD13 LEU 53 0.984 4.055 5.580
443 HD21 LEU 53 HD21 LEU 53 1.159 3.132 9.721
444 HD22 LEU 53 HD22 LEU 53 2.661 3.557 8.900
445 HD23 LEU 53 HD23 LEU 53 1.849 2.037 8.525
446 H GLY 54 H GLY 54 -1.856 6.996 8.266
447 HA2 GLY 54 HA2 GLY 54 -1.922 9.211 9.905
448 HA3 GLY 54 HA3 GLY 54 -0.609 9.509 8.773
449 H GLY 55 H GLY 55 -4.041 8.658 8.944
450 HA2 GLY 55 HA2 GLY 55 -4.458 9.531 6.195
451 HA3 GLY 55 HA3 GLY 55 -5.669 8.834 7.267
452 H LEU 56 H LEU 56 -3.781 11.736 6.630
453 HA LEU 56 HA LEU 56 -5.580 13.284 8.332
454 HB2 LEU 56 HB2 LEU 56 -3.985 15.039 8.284
455 HB3 LEU 56 HB3 LEU 56 -3.108 13.549 8.565
456 HG LEU 56 HG LEU 56 -3.305 14.848 5.848
457 HD11 LEU 56 HD11 LEU 56 -1.135 15.120 7.918
458 HD12 LEU 56 HD12 LEU 56 -2.245 16.390 7.402
459 HD13 LEU 56 HD13 LEU 56 -1.069 15.729 6.264
460 HD21 LEU 56 HD21 LEU 56 -1.369 13.479 5.331
461 HD22 LEU 56 HD22 LEU 56 -2.710 12.464 5.862
462 HD23 LEU 56 HD23 LEU 56 -1.376 12.814 6.962
463 H GLU 57 H GLU 57 -5.193 12.470 5.082
464 HA GLU 57 HA GLU 57 -6.101 14.891 3.893
465 HB2 GLU 57 HB2 GLU 57 -6.611 13.478 1.909
466 HB3 GLU 57 HB3 GLU 57 -4.975 13.269 2.508
467 HG2 GLU 57 HG2 GLU 57 -6.996 11.386 3.541
468 HG3 GLU 57 HG3 GLU 57 -6.571 11.236 1.837
469 H HIS 58 H HIS 58 -8.174 15.498 3.254
470 HA HIS 58 HA HIS 58 -10.333 13.929 4.487
471 HB2 HIS 58 HB2 HIS 58 -11.552 16.091 4.850
472 HB3 HIS 58 HB3 HIS 58 -10.098 15.900 5.818
473 HD1 HIS 58 HD1 HIS 58 -11.704 18.095 3.333
474 HD2 HIS 58 HD2 HIS 58 -7.916 17.575 4.980
475 HE1 HIS 58 HE1 HIS 58 -10.428 20.192 2.782
476 HE2 HIS 58 HE2 HIS 58 -8.113 19.826 3.716
477 H HIS 59 H HIS 59 -11.041 12.847 2.786
478 HA HIS 59 HA HIS 59 -12.579 14.364 0.837
479 HB2 HIS 59 HB2 HIS 59 -10.340 13.924 -0.214
480 HB3 HIS 59 HB3 HIS 59 -10.637 12.202 -0.029
481 HD1 HIS 59 HD1 HIS 59 -10.248 12.417 -2.737
482 HD2 HIS 59 HD2 HIS 59 -13.834 13.869 -1.201
483 HE1 HIS 59 HE1 HIS 59 -11.821 12.550 -4.694
484 HE2 HIS 59 HE2 HIS 59 -14.025 13.293 -3.724
485 H HIS 60 H HIS 60 -13.966 13.406 2.614
486 HA HIS 60 HA HIS 60 -14.303 10.560 2.687
487 HB2 HIS 60 HB2 HIS 60 -14.644 12.095 4.643
488 HB3 HIS 60 HB3 HIS 60 -16.104 12.687 3.860
489 HD1 HIS 60 HD1 HIS 60 -18.194 11.494 4.457
490 HD2 HIS 60 HD2 HIS 60 -14.811 9.181 5.180
491 HE1 HIS 60 HE1 HIS 60 -19.028 9.405 5.588
492 HE2 HIS 60 HE2 HIS 60 -16.971 7.990 5.970
493 H HIS 61 H HIS 61 -15.668 13.127 0.828
494 HA HIS 61 HA HIS 61 -17.897 11.404 -0.007
495 HB2 HIS 61 HB2 HIS 61 -18.418 13.744 0.717
496 HB3 HIS 61 HB3 HIS 61 -17.461 14.332 -0.639
497 HD1 HIS 61 HD1 HIS 61 -18.762 14.794 -2.710
498 HD2 HIS 61 HD2 HIS 61 -20.662 12.024 -0.253
499 HE1 HIS 61 HE1 HIS 61 -20.973 14.311 -3.806
500 HE2 HIS 61 HE2 HIS 61 -22.192 12.832 -2.170
501 H HIS 62 H HIS 62 -16.972 10.012 -1.437
502 HA HIS 62 HA HIS 62 -15.477 11.157 -3.695
503 HB2 HIS 62 HB2 HIS 62 -14.395 9.293 -2.519
504 HB3 HIS 62 HB3 HIS 62 -15.799 8.274 -2.813
505 HD1 HIS 62 HD1 HIS 62 -15.898 7.053 -5.013
506 HD2 HIS 62 HD2 HIS 62 -12.860 9.886 -4.866
507 HE1 HIS 62 HE1 HIS 62 -14.522 6.681 -7.090
508 HE2 HIS 62 HE2 HIS 62 -12.561 8.252 -6.846
509 H HIS 63 H HIS 63 -18.225 9.103 -2.913
510 HA HIS 63 HA HIS 63 -20.145 8.610 -3.994
511 HB2 HIS 63 HB2 HIS 63 -20.246 11.087 -4.370
512 HB3 HIS 63 HB3 HIS 63 -19.461 10.835 -5.927
513 HD1 HIS 63 HD1 HIS 63 -20.926 10.103 -7.864
514 HD2 HIS 63 HD2 HIS 63 -22.901 10.021 -4.204
515 HE1 HIS 63 HE1 HIS 63 -23.353 9.729 -8.407
516 HE2 HIS 63 HE2 HIS 63 -24.538 9.952 -6.203
Start of MODEL 2
1 H1 MET 1 H1 MET 1 7.758 -14.800 0.195
2 H2 MET 1 H2 MET 1 9.418 -14.469 0.194
3 H3 MET 1 H3 MET 1 8.741 -15.386 -1.060
4 HA MET 1 HA MET 1 9.123 -13.231 -1.910
5 HB2 MET 1 HB2 MET 1 6.202 -13.570 -1.176
6 HB3 MET 1 HB3 MET 1 6.809 -12.490 -2.421
7 HG2 MET 1 HG2 MET 1 7.621 -14.369 -3.708
8 HG3 MET 1 HG3 MET 1 7.125 -15.483 -2.434
9 HE1 MET 1 HE1 MET 1 6.292 -15.765 -5.527
10 HE2 MET 1 HE2 MET 1 4.603 -16.241 -5.351
11 HE3 MET 1 HE3 MET 1 5.828 -16.912 -4.273
12 H GLY 2 H GLY 2 9.872 -11.334 -1.262
13 HA2 GLY 2 HA2 GLY 2 9.051 -10.261 1.321
14 HA3 GLY 2 HA3 GLY 2 10.383 -9.685 0.328
15 H GLU 3 H GLU 3 7.478 -10.207 -1.331
16 HA GLU 3 HA GLU 3 6.476 -7.511 -0.925
17 HB2 GLU 3 HB2 GLU 3 6.384 -7.082 -3.370
18 HB3 GLU 3 HB3 GLU 3 8.024 -7.164 -2.750
19 HG2 GLU 3 HG2 GLU 3 6.658 -9.478 -4.101
20 HG3 GLU 3 HG3 GLU 3 7.610 -8.277 -4.969
21 H LEU 4 H LEU 4 4.320 -7.440 -0.994
22 HA LEU 4 HA LEU 4 2.875 -9.886 -1.614
23 HB2 LEU 4 HB2 LEU 4 1.904 -7.232 -0.557
24 HB3 LEU 4 HB3 LEU 4 0.913 -8.667 -0.739
25 HG LEU 4 HG LEU 4 3.306 -8.430 1.085
26 HD11 LEU 4 HD11 LEU 4 0.364 -8.476 1.726
27 HD12 LEU 4 HD12 LEU 4 1.412 -7.059 1.806
28 HD13 LEU 4 HD13 LEU 4 1.689 -8.425 2.888
29 HD21 LEU 4 HD21 LEU 4 1.254 -10.624 0.836
30 HD22 LEU 4 HD22 LEU 4 2.614 -10.576 1.958
31 HD23 LEU 4 HD23 LEU 4 2.906 -10.705 0.224
32 H SER 5 H SER 5 0.646 -9.477 -2.708
33 HA SER 5 HA SER 5 1.243 -8.581 -5.363
34 HB2 SER 5 HB2 SER 5 -1.396 -9.548 -4.246
35 HB3 SER 5 HB3 SER 5 -0.929 -9.480 -5.945
36 HG SER 5 HG SER 5 0.152 -11.281 -5.732
37 H TRP 6 H TRP 6 1.326 -6.445 -5.662
38 HA TRP 6 HA TRP 6 -0.639 -4.705 -4.425
39 HB2 TRP 6 HB2 TRP 6 1.879 -4.270 -5.988
40 HB3 TRP 6 HB3 TRP 6 0.705 -2.960 -5.857
41 HD1 TRP 6 HD1 TRP 6 2.638 -5.322 -3.444
42 HE1 TRP 6 HE1 TRP 6 3.189 -3.971 -1.311
43 HE3 TRP 6 HE3 TRP 6 0.312 -0.932 -4.639
44 HZ2 TRP 6 HZ2 TRP 6 2.685 -1.384 -0.283
45 HZ3 TRP 6 HZ3 TRP 6 0.390 0.928 -3.035
46 HH2 TRP 6 HH2 TRP 6 1.554 0.705 -0.903
47 H THR 7 H THR 7 -2.478 -4.175 -5.331
48 HA THR 7 HA THR 7 -3.154 -5.045 -7.976
49 HB THR 7 HB THR 7 -5.351 -3.949 -7.478
50 HG1 THR 7 HG1 THR 7 -4.369 -3.547 -4.845
51 HG21 THR 7 HG21 THR 7 -5.991 -5.515 -5.703
52 HG22 THR 7 HG22 THR 7 -4.289 -5.796 -5.332
53 HG23 THR 7 HG23 THR 7 -4.947 -6.294 -6.891
54 H ALA 8 H ALA 8 -4.365 -3.469 -9.445
55 HA ALA 8 HA ALA 8 -2.588 -1.407 -10.238
56 HB1 ALA 8 HB1 ALA 8 -5.449 -1.855 -11.086
57 HB2 ALA 8 HB2 ALA 8 -4.032 -2.607 -11.818
58 HB3 ALA 8 HB3 ALA 8 -4.257 -0.861 -11.922
59 H GLU 9 H GLU 9 -5.596 -1.465 -8.422
60 HA GLU 9 HA GLU 9 -5.980 1.326 -8.253
61 HB2 GLU 9 HB2 GLU 9 -7.005 -1.036 -6.754
62 HB3 GLU 9 HB3 GLU 9 -7.268 0.571 -6.092
63 HG2 GLU 9 HG2 GLU 9 -9.141 -0.316 -7.467
64 HG3 GLU 9 HG3 GLU 9 -8.518 1.245 -7.993
65 H ALA 10 H ALA 10 -4.333 -0.963 -6.106
66 HA ALA 10 HA ALA 10 -3.643 0.900 -4.102
67 HB1 ALA 10 HB1 ALA 10 -2.006 -0.755 -3.379
68 HB2 ALA 10 HB2 ALA 10 -2.185 -1.617 -4.909
69 HB3 ALA 10 HB3 ALA 10 -3.538 -1.531 -3.782
70 H GLU 11 H GLU 11 -1.797 -0.362 -6.863
71 HA GLU 11 HA GLU 11 0.477 1.244 -6.589
72 HB2 GLU 11 HB2 GLU 11 -0.812 -0.119 -8.936
73 HB3 GLU 11 HB3 GLU 11 0.645 0.844 -9.135
74 HG2 GLU 11 HG2 GLU 11 0.507 -1.369 -7.126
75 HG3 GLU 11 HG3 GLU 11 0.888 -1.680 -8.819
76 H LYS 12 H LYS 12 -2.644 1.915 -7.999
77 HA LYS 12 HA LYS 12 -1.996 4.209 -9.491
78 HB2 LYS 12 HB2 LYS 12 -4.142 2.856 -9.546
79 HB3 LYS 12 HB3 LYS 12 -4.607 3.689 -8.072
80 HG2 LYS 12 HG2 LYS 12 -4.483 5.835 -9.266
81 HG3 LYS 12 HG3 LYS 12 -4.077 4.964 -10.747
82 HD2 LYS 12 HD2 LYS 12 -6.634 4.795 -9.160
83 HD3 LYS 12 HD3 LYS 12 -6.426 5.435 -10.792
84 HE2 LYS 12 HE2 LYS 12 -5.904 3.254 -11.644
85 HE3 LYS 12 HE3 LYS 12 -5.875 2.577 -10.015
86 HZ1 LYS 12 HZ1 LYS 12 -8.222 3.551 -11.538
87 HZ2 LYS 12 HZ2 LYS 12 -8.273 3.263 -9.867
88 HZ3 LYS 12 HZ3 LYS 12 -7.939 1.988 -10.934
89 H MET 13 H MET 13 -3.267 3.880 -6.178
90 HA MET 13 HA MET 13 -3.109 6.659 -5.606
91 HB2 MET 13 HB2 MET 13 -3.333 4.241 -3.816
92 HB3 MET 13 HB3 MET 13 -3.298 5.886 -3.195
93 HG2 MET 13 HG2 MET 13 -5.302 6.421 -4.479
94 HG3 MET 13 HG3 MET 13 -5.338 4.774 -5.108
95 HE1 MET 13 HE1 MET 13 -5.997 2.663 -3.724
96 HE2 MET 13 HE2 MET 13 -6.156 2.654 -1.965
97 HE3 MET 13 HE3 MET 13 -4.590 2.978 -2.708
98 H LEU 14 H LEU 14 -0.922 3.950 -5.196
99 HA LEU 14 HA LEU 14 1.076 5.310 -3.723
100 HB2 LEU 14 HB2 LEU 14 0.933 2.857 -3.945
101 HB3 LEU 14 HB3 LEU 14 1.349 2.995 -5.642
102 HG LEU 14 HG LEU 14 3.539 4.007 -4.935
103 HD11 LEU 14 HD11 LEU 14 2.896 4.734 -2.704
104 HD12 LEU 14 HD12 LEU 14 4.266 3.625 -2.631
105 HD13 LEU 14 HD13 LEU 14 2.649 3.058 -2.216
106 HD21 LEU 14 HD21 LEU 14 2.933 1.219 -3.972
107 HD22 LEU 14 HD22 LEU 14 4.534 1.863 -4.334
108 HD23 LEU 14 HD23 LEU 14 3.346 1.680 -5.624
109 H GLY 15 H GLY 15 0.179 5.322 -7.065
110 HA2 GLY 15 HA2 GLY 15 2.653 6.280 -8.124
111 HA3 GLY 15 HA3 GLY 15 1.091 6.318 -8.926
112 H LYS 16 H LYS 16 0.158 7.757 -6.348
113 HA LYS 16 HA LYS 16 0.566 10.417 -7.335
114 HB2 LYS 16 HB2 LYS 16 -1.537 9.400 -6.231
115 HB3 LYS 16 HB3 LYS 16 -0.693 9.655 -4.709
116 HG2 LYS 16 HG2 LYS 16 -0.537 12.026 -5.188
117 HG3 LYS 16 HG3 LYS 16 -1.363 11.778 -6.724
118 HD2 LYS 16 HD2 LYS 16 -3.310 10.876 -5.459
119 HD3 LYS 16 HD3 LYS 16 -2.489 11.320 -3.961
120 HE2 LYS 16 HE2 LYS 16 -3.280 13.221 -6.166
121 HE3 LYS 16 HE3 LYS 16 -4.148 12.998 -4.649
122 HZ1 LYS 16 HZ1 LYS 16 -1.385 14.040 -4.972
123 HZ2 LYS 16 HZ2 LYS 16 -2.126 13.730 -3.479
124 HZ3 LYS 16 HZ3 LYS 16 -2.755 14.925 -4.510
125 H VAL 17 H VAL 17 2.131 8.306 -5.227
126 HA VAL 17 HA VAL 17 3.406 10.404 -3.651
127 HB VAL 17 HB VAL 17 3.680 7.394 -3.524
128 HG11 VAL 17 HG11 VAL 17 5.705 8.470 -2.729
129 HG12 VAL 17 HG12 VAL 17 4.813 7.781 -1.373
130 HG13 VAL 17 HG13 VAL 17 4.758 9.519 -1.673
131 HG21 VAL 17 HG21 VAL 17 2.366 7.556 -1.472
132 HG22 VAL 17 HG22 VAL 17 1.465 8.171 -2.857
133 HG23 VAL 17 HG23 VAL 17 2.197 9.293 -1.711
134 HA PRO 18 HA PRO 18 6.721 10.692 -6.602
135 HB2 PRO 18 HB2 PRO 18 8.576 11.775 -4.854
136 HB3 PRO 18 HB3 PRO 18 7.358 12.703 -5.732
137 HG2 PRO 18 HG2 PRO 18 7.328 11.718 -2.915
138 HG3 PRO 18 HG3 PRO 18 6.749 13.260 -3.572
139 HD2 PRO 18 HD2 PRO 18 5.056 11.276 -2.930
140 HD3 PRO 18 HD3 PRO 18 4.761 12.338 -4.322
141 H PHE 19 H PHE 19 8.539 9.599 -7.156
142 HA PHE 19 HA PHE 19 8.708 6.990 -6.234
143 HB2 PHE 19 HB2 PHE 19 9.465 8.094 -8.467
144 HB3 PHE 19 HB3 PHE 19 11.013 8.285 -7.648
145 HD1 PHE 19 HD1 PHE 19 8.448 5.745 -8.472
146 HD2 PHE 19 HD2 PHE 19 12.548 6.543 -7.665
147 HE1 PHE 19 HE1 PHE 19 9.011 3.417 -9.059
148 HE2 PHE 19 HE2 PHE 19 13.122 4.221 -8.249
149 HZ PHE 19 HZ PHE 19 11.353 2.653 -8.949
150 H PHE 20 H PHE 20 10.411 9.794 -5.115
151 HA PHE 20 HA PHE 20 12.703 8.697 -3.997
152 HB2 PHE 20 HB2 PHE 20 11.077 10.905 -2.725
153 HB3 PHE 20 HB3 PHE 20 12.812 10.642 -2.589
154 HD1 PHE 20 HD2 PHE 20 14.201 10.867 -4.733
155 HD2 PHE 20 HD1 PHE 20 10.220 12.310 -4.338
156 HE1 PHE 20 HE2 PHE 20 14.565 12.379 -6.638
157 HE2 PHE 20 HE1 PHE 20 10.573 13.826 -6.248
158 HZ PHE 20 HZ PHE 20 12.751 13.863 -7.400
159 H VAL 21 H VAL 21 9.686 9.436 -2.250
160 HA VAL 21 HA VAL 21 10.518 7.622 -0.118
161 HB VAL 21 HB VAL 21 8.663 8.591 1.181
162 HG11 VAL 21 HG11 VAL 21 10.489 10.625 -0.091
163 HG12 VAL 21 HG12 VAL 21 10.860 9.610 1.304
164 HG13 VAL 21 HG13 VAL 21 9.606 10.844 1.421
165 HG21 VAL 21 HG21 VAL 21 7.448 10.542 0.302
166 HG22 VAL 21 HG22 VAL 21 7.111 9.080 -0.623
167 HG23 VAL 21 HG23 VAL 21 8.212 10.297 -1.268
168 H ARG 22 H ARG 22 8.977 7.266 -2.919
169 HA ARG 22 HA ARG 22 6.537 6.017 -2.299
170 HB2 ARG 22 HB2 ARG 22 7.435 6.822 -4.580
171 HB3 ARG 22 HB3 ARG 22 8.245 5.262 -4.659
172 HG2 ARG 22 HG2 ARG 22 6.084 4.135 -4.458
173 HG3 ARG 22 HG3 ARG 22 5.278 5.704 -4.401
174 HD2 ARG 22 HD2 ARG 22 6.352 6.197 -6.632
175 HD3 ARG 22 HD3 ARG 22 6.827 4.499 -6.683
176 HE ARG 22 HE ARG 22 4.019 5.400 -6.530
177 HH11 ARG 22 HH11 ARG 22 6.488 3.231 -7.734
178 HH12 ARG 22 HH12 ARG 22 5.388 2.297 -8.695
179 HH21 ARG 22 HH21 ARG 22 2.559 4.179 -7.814
180 HH22 ARG 22 HH22 ARG 22 3.155 2.871 -8.787
181 H LYS 23 H LYS 23 9.825 4.804 -2.553
182 HA LYS 23 HA LYS 23 9.271 2.056 -2.350
183 HB2 LYS 23 HB2 LYS 23 11.622 1.832 -1.634
184 HB3 LYS 23 HB3 LYS 23 11.449 2.846 -3.058
185 HG2 LYS 23 HG2 LYS 23 11.767 4.835 -1.757
186 HG3 LYS 23 HG3 LYS 23 11.751 3.903 -0.258
187 HD2 LYS 23 HD2 LYS 23 13.767 2.694 -1.048
188 HD3 LYS 23 HD3 LYS 23 13.806 3.756 -2.459
189 HE2 LYS 23 HE2 LYS 23 13.861 4.752 0.373
190 HE3 LYS 23 HE3 LYS 23 15.319 4.407 -0.555
191 HZ1 LYS 23 HZ1 LYS 23 14.704 6.756 -0.626
192 HZ2 LYS 23 HZ2 LYS 23 13.218 6.364 -1.329
193 HZ3 LYS 23 HZ3 LYS 23 14.659 6.060 -2.172
194 H LYS 24 H LYS 24 9.665 4.576 0.063
195 HA LYS 24 HA LYS 24 9.761 2.928 2.348
196 HB2 LYS 24 HB2 LYS 24 10.351 5.352 2.319
197 HB3 LYS 24 HB3 LYS 24 8.644 5.729 2.121
198 HG2 LYS 24 HG2 LYS 24 8.178 4.648 4.278
199 HG3 LYS 24 HG3 LYS 24 9.910 4.368 4.488
200 HD2 LYS 24 HD2 LYS 24 10.290 6.806 4.354
201 HD3 LYS 24 HD3 LYS 24 8.547 7.049 4.220
202 HE2 LYS 24 HE2 LYS 24 8.213 6.061 6.410
203 HE3 LYS 24 HE3 LYS 24 9.939 5.724 6.541
204 HZ1 LYS 24 HZ1 LYS 24 8.597 8.368 6.531
205 HZ2 LYS 24 HZ2 LYS 24 10.271 8.189 6.317
206 HZ3 LYS 24 HZ3 LYS 24 9.541 7.676 7.762
207 H VAL 25 H VAL 25 7.104 4.649 0.772
208 HA VAL 25 HA VAL 25 5.068 3.802 2.507
209 HB VAL 25 HB VAL 25 4.791 4.566 -0.406
210 HG11 VAL 25 HG11 VAL 25 2.786 4.614 1.849
211 HG12 VAL 25 HG12 VAL 25 2.794 3.492 0.488
212 HG13 VAL 25 HG13 VAL 25 2.509 5.210 0.212
213 HG21 VAL 25 HG21 VAL 25 4.357 6.831 0.421
214 HG22 VAL 25 HG22 VAL 25 5.981 6.285 0.839
215 HG23 VAL 25 HG23 VAL 25 4.712 6.294 2.063
216 H ARG 26 H ARG 26 6.156 2.489 -0.623
217 HA ARG 26 HA ARG 26 4.174 0.529 -0.888
218 HB2 ARG 26 HB2 ARG 26 5.971 1.330 -2.578
219 HB3 ARG 26 HB3 ARG 26 6.986 0.091 -1.850
220 HG2 ARG 26 HG2 ARG 26 5.378 -1.618 -2.445
221 HG3 ARG 26 HG3 ARG 26 4.295 -0.393 -3.112
222 HD2 ARG 26 HD2 ARG 26 6.306 0.233 -4.605
223 HD3 ARG 26 HD3 ARG 26 6.938 -1.349 -4.147
224 HE ARG 26 HE ARG 26 4.335 -0.958 -5.498
225 HH11 ARG 26 HH11 ARG 26 7.295 -2.795 -4.994
226 HH12 ARG 26 HH12 ARG 26 6.919 -3.946 -6.243
227 HH21 ARG 26 HH21 ARG 26 3.860 -2.453 -7.106
228 HH22 ARG 26 HH22 ARG 26 4.976 -3.748 -7.459
229 H LYS 27 H LYS 27 7.388 0.335 0.579
230 HA LYS 27 HA LYS 27 7.200 -2.390 1.345
231 HB2 LYS 27 HB2 LYS 27 9.338 -1.208 1.109
232 HB3 LYS 27 HB3 LYS 27 8.920 -0.160 2.452
233 HG2 LYS 27 HG2 LYS 27 9.063 -1.963 4.004
234 HG3 LYS 27 HG3 LYS 27 9.220 -3.142 2.699
235 HD2 LYS 27 HD2 LYS 27 11.387 -2.685 3.730
236 HD3 LYS 27 HD3 LYS 27 11.358 -2.146 2.051
237 HE2 LYS 27 HE2 LYS 27 10.856 0.155 2.878
238 HE3 LYS 27 HE3 LYS 27 11.103 -0.435 4.521
239 HZ1 LYS 27 HZ1 LYS 27 13.373 -1.038 3.915
240 HZ2 LYS 27 HZ2 LYS 27 13.100 0.615 3.652
241 HZ3 LYS 27 HZ3 LYS 27 13.124 -0.458 2.341
242 H ASN 28 H ASN 28 6.112 0.583 2.773
243 HA ASN 28 HA ASN 28 5.864 -0.400 5.450
244 HB2 ASN 28 HB2 ASN 28 6.227 1.986 4.944
245 HB3 ASN 28 HB3 ASN 28 4.675 2.054 4.124
246 HD21 ASN 28 HD21 ASN 28 4.148 3.759 5.538
247 HD22 ASN 28 HD22 ASN 28 3.623 3.432 7.153
248 H THR 29 H THR 29 3.593 0.260 2.787
249 HA THR 29 HA THR 29 1.282 -0.684 4.127
250 HB THR 29 HB THR 29 1.345 -1.131 1.241
251 HG1 THR 29 HG1 THR 29 2.632 0.664 1.131
252 HG21 THR 29 HG21 THR 29 -0.719 0.168 1.347
253 HG22 THR 29 HG22 THR 29 -0.385 0.555 3.034
254 HG23 THR 29 HG23 THR 29 -0.706 -1.111 2.559
255 H ASP 30 H ASP 30 3.738 -2.246 2.151
256 HA ASP 30 HA ASP 30 2.599 -4.749 1.768
257 HB2 ASP 30 HB2 ASP 30 4.750 -4.093 0.772
258 HB3 ASP 30 HB3 ASP 30 5.494 -4.075 2.368
259 H ASN 31 H ASN 31 4.665 -3.662 4.430
260 HA ASN 31 HA ASN 31 4.257 -5.968 6.014
261 HB2 ASN 31 HB2 ASN 31 5.304 -3.212 6.632
262 HB3 ASN 31 HB3 ASN 31 5.104 -4.424 7.893
263 HD21 ASN 31 HD21 ASN 31 6.889 -3.507 5.049
264 HD22 ASN 31 HD22 ASN 31 8.141 -4.686 5.222
265 H TYR 32 H TYR 32 2.365 -3.091 5.515
266 HA TYR 32 HA TYR 32 0.843 -3.288 7.921
267 HB2 TYR 32 HB2 TYR 32 0.801 -1.186 6.742
268 HB3 TYR 32 HB3 TYR 32 0.210 -1.965 5.270
269 HD1 TYR 32 HD1 TYR 32 -0.715 -1.404 8.839
270 HD2 TYR 32 HD2 TYR 32 -2.091 -2.029 4.862
271 HE1 TYR 32 HE1 TYR 32 -3.027 -1.052 9.590
272 HE2 TYR 32 HE2 TYR 32 -4.411 -1.678 5.605
273 HH TYR 32 HH TYR 32 -5.738 -1.754 7.597
274 H ALA 33 H ALA 33 0.360 -4.442 4.612
275 HA ALA 33 HA ALA 33 -2.160 -5.604 5.036
276 HB1 ALA 33 HB1 ALA 33 -0.024 -6.421 3.074
277 HB2 ALA 33 HB2 ALA 33 -1.255 -5.187 2.811
278 HB3 ALA 33 HB3 ALA 33 -1.726 -6.876 2.999
279 H ARG 34 H ARG 34 1.115 -6.856 5.419
280 HA ARG 34 HA ARG 34 0.435 -9.509 6.108
281 HB2 ARG 34 HB2 ARG 34 2.827 -7.958 7.121
282 HB3 ARG 34 HB3 ARG 34 2.693 -9.702 6.918
283 HG2 ARG 34 HG2 ARG 34 2.642 -9.493 4.547
284 HG3 ARG 34 HG3 ARG 34 2.526 -7.738 4.662
285 HD2 ARG 34 HD2 ARG 34 4.747 -7.860 4.287
286 HD3 ARG 34 HD3 ARG 34 4.790 -8.114 6.028
287 HE ARG 34 HE ARG 34 4.837 -10.567 5.472
288 HH11 ARG 34 HH11 ARG 34 5.967 -8.161 3.179
289 HH12 ARG 34 HH12 ARG 34 7.112 -9.237 2.441
290 HH21 ARG 34 HH21 ARG 34 6.338 -11.983 4.489
291 HH22 ARG 34 HH22 ARG 34 7.340 -11.413 3.191
292 H GLU 35 H GLU 35 0.528 -6.527 7.900
293 HA GLU 35 HA GLU 35 0.437 -7.663 10.487
294 HB2 GLU 35 HB2 GLU 35 1.186 -5.369 10.145
295 HB3 GLU 35 HB3 GLU 35 -0.392 -4.922 9.512
296 HG2 GLU 35 HG2 GLU 35 -1.382 -5.432 11.714
297 HG3 GLU 35 HG3 GLU 35 0.233 -5.774 12.329
298 H ILE 36 H ILE 36 -2.018 -6.697 8.154
299 HA ILE 36 HA ILE 36 -4.142 -7.359 10.052
300 HB ILE 36 HB ILE 36 -5.694 -6.507 8.310
301 HG12 ILE 36 HG12 ILE 36 -3.139 -5.738 6.875
302 HG13 ILE 36 HG13 ILE 36 -4.288 -6.959 6.338
303 HG21 ILE 36 HG21 ILE 36 -5.142 -4.160 8.639
304 HG22 ILE 36 HG22 ILE 36 -3.498 -4.600 9.104
305 HG23 ILE 36 HG23 ILE 36 -4.862 -5.081 10.117
306 HD11 ILE 36 HD11 ILE 36 -4.832 -4.015 6.614
307 HD12 ILE 36 HD12 ILE 36 -5.997 -5.231 6.091
308 HD13 ILE 36 HD13 ILE 36 -4.570 -4.896 5.110
309 H GLY 37 H GLY 37 -2.297 -9.033 7.907
310 HA2 GLY 37 HA2 GLY 37 -2.517 -11.322 7.494
311 HA3 GLY 37 HA3 GLY 37 -4.198 -11.223 7.988
312 H GLU 38 H GLU 38 -3.181 -8.920 5.658
313 HA GLU 38 HA GLU 38 -4.793 -10.290 3.642
314 HB2 GLU 38 HB2 GLU 38 -3.702 -7.473 3.762
315 HB3 GLU 38 HB3 GLU 38 -4.614 -8.120 2.406
316 HG2 GLU 38 HG2 GLU 38 -5.635 -7.864 5.225
317 HG3 GLU 38 HG3 GLU 38 -5.987 -6.757 3.899
318 HA PRO 39 HA PRO 39 -0.989 -11.364 1.528
319 HB2 PRO 39 HB2 PRO 39 -2.517 -12.892 -0.336
320 HB3 PRO 39 HB3 PRO 39 -1.605 -13.488 1.049
321 HG2 PRO 39 HG2 PRO 39 -4.369 -13.568 0.804
322 HG3 PRO 39 HG3 PRO 39 -3.474 -13.696 2.328
323 HD2 PRO 39 HD2 PRO 39 -4.859 -11.335 1.128
324 HD3 PRO 39 HD3 PRO 39 -4.737 -11.832 2.832
325 H VAL 40 H VAL 40 -3.767 -9.773 0.298
326 HA VAL 40 HA VAL 40 -2.299 -8.975 -2.130
327 HB VAL 40 HB VAL 40 -5.302 -9.243 -1.855
328 HG11 VAL 40 HG11 VAL 40 -5.345 -8.855 -4.269
329 HG12 VAL 40 HG12 VAL 40 -3.597 -8.618 -4.262
330 HG13 VAL 40 HG13 VAL 40 -4.645 -7.487 -3.405
331 HG21 VAL 40 HG21 VAL 40 -5.120 -11.144 -3.377
332 HG22 VAL 40 HG22 VAL 40 -4.231 -11.435 -1.883
333 HG23 VAL 40 HG23 VAL 40 -3.362 -11.000 -3.355
334 H VAL 41 H VAL 41 -1.984 -6.844 -2.346
335 HA VAL 41 HA VAL 41 -3.173 -5.077 -0.355
336 HB VAL 41 HB VAL 41 -1.062 -4.440 -2.426
337 HG11 VAL 41 HG11 VAL 41 -2.277 -2.472 -1.629
338 HG12 VAL 41 HG12 VAL 41 -0.613 -2.475 -1.045
339 HG13 VAL 41 HG13 VAL 41 -1.929 -2.927 0.039
340 HG21 VAL 41 HG21 VAL 41 -0.277 -6.152 -0.876
341 HG22 VAL 41 HG22 VAL 41 -0.747 -5.145 0.491
342 HG23 VAL 41 HG23 VAL 41 0.545 -4.619 -0.585
343 H THR 42 H THR 42 -5.198 -4.587 -0.944
344 HA THR 42 HA THR 42 -5.795 -3.854 -3.704
345 HB THR 42 HB THR 42 -8.143 -3.849 -2.972
346 HG1 THR 42 HG1 THR 42 -8.449 -4.707 -0.722
347 HG21 THR 42 HG21 THR 42 -7.126 -5.965 -3.697
348 HG22 THR 42 HG22 THR 42 -8.356 -6.228 -2.461
349 HG23 THR 42 HG23 THR 42 -6.646 -6.302 -2.033
350 H ALA 43 H ALA 43 -7.403 -1.920 -3.902
351 HA ALA 43 HA ALA 43 -6.325 0.467 -2.975
352 HB1 ALA 43 HB1 ALA 43 -9.185 -0.101 -3.741
353 HB2 ALA 43 HB2 ALA 43 -7.885 0.362 -4.838
354 HB3 ALA 43 HB3 ALA 43 -8.452 1.497 -3.616
355 H ASP 44 H ASP 44 -8.809 -1.601 -1.559
356 HA ASP 44 HA ASP 44 -9.579 0.142 0.522
357 HB2 ASP 44 HB2 ASP 44 -10.956 -1.773 -0.124
358 HB3 ASP 44 HB3 ASP 44 -9.693 -2.878 0.406
359 H VAL 45 H VAL 45 -7.247 -2.545 0.447
360 HA VAL 45 HA VAL 45 -6.414 -2.415 3.104
361 HB VAL 45 HB VAL 45 -4.796 -3.194 0.669
362 HG11 VAL 45 HG11 VAL 45 -4.254 -3.723 3.592
363 HG12 VAL 45 HG12 VAL 45 -3.314 -2.678 2.527
364 HG13 VAL 45 HG13 VAL 45 -3.355 -4.418 2.243
365 HG21 VAL 45 HG21 VAL 45 -6.805 -4.541 0.973
366 HG22 VAL 45 HG22 VAL 45 -6.345 -4.869 2.644
367 HG23 VAL 45 HG23 VAL 45 -5.358 -5.487 1.321
368 H PHE 46 H PHE 46 -5.173 -0.683 0.263
369 HA PHE 46 HA PHE 46 -3.094 0.665 1.651
370 HB2 PHE 46 HB2 PHE 46 -3.207 0.353 -0.836
371 HB3 PHE 46 HB3 PHE 46 -4.492 1.554 -0.880
372 HD1 PHE 46 HD1 PHE 46 -0.910 0.995 -0.373
373 HD2 PHE 46 HD2 PHE 46 -4.012 3.904 -0.570
374 HE1 PHE 46 HE1 PHE 46 0.776 2.775 -0.565
375 HE2 PHE 46 HE2 PHE 46 -2.329 5.686 -0.760
376 HZ PHE 46 HZ PHE 46 0.065 5.126 -0.760
377 H ARG 47 H ARG 47 -6.454 1.416 0.980
378 HA ARG 47 HA ARG 47 -6.383 4.104 1.857
379 HB2 ARG 47 HB2 ARG 47 -8.160 3.189 0.421
380 HB3 ARG 47 HB3 ARG 47 -8.713 2.182 1.753
381 HG2 ARG 47 HG2 ARG 47 -9.313 4.151 3.029
382 HG3 ARG 47 HG3 ARG 47 -8.680 5.194 1.752
383 HD2 ARG 47 HD2 ARG 47 -10.335 4.269 0.195
384 HD3 ARG 47 HD3 ARG 47 -10.979 3.260 1.487
385 HE ARG 47 HE ARG 47 -11.141 5.779 2.489
386 HH11 ARG 47 HH11 ARG 47 -12.230 4.290 -0.482
387 HH12 ARG 47 HH12 ARG 47 -13.667 5.264 -0.598
388 HH21 ARG 47 HH21 ARG 47 -13.018 7.094 2.326
389 HH22 ARG 47 HH22 ARG 47 -14.101 6.872 0.987
390 H LYS 48 H LYS 48 -7.220 1.060 3.476
391 HA LYS 48 HA LYS 48 -7.880 2.261 5.960
392 HB2 LYS 48 HB2 LYS 48 -6.974 -0.564 5.397
393 HB3 LYS 48 HB3 LYS 48 -7.712 -0.006 6.892
394 HG2 LYS 48 HG2 LYS 48 -9.646 0.758 5.323
395 HG3 LYS 48 HG3 LYS 48 -8.946 -0.419 4.211
396 HD2 LYS 48 HD2 LYS 48 -10.619 -1.566 5.422
397 HD3 LYS 48 HD3 LYS 48 -9.075 -2.089 6.103
398 HE2 LYS 48 HE2 LYS 48 -10.754 -1.605 7.842
399 HE3 LYS 48 HE3 LYS 48 -9.338 -0.559 7.962
400 HZ1 LYS 48 HZ1 LYS 48 -11.565 0.556 8.208
401 HZ2 LYS 48 HZ2 LYS 48 -11.812 0.270 6.555
402 HZ3 LYS 48 HZ3 LYS 48 -10.524 1.250 7.062
403 H ALA 49 H ALA 49 -4.895 1.122 4.529
404 HA ALA 49 HA ALA 49 -3.198 1.203 6.723
405 HB1 ALA 49 HB1 ALA 49 -2.463 0.468 4.509
406 HB2 ALA 49 HB2 ALA 49 -1.397 1.721 5.150
407 HB3 ALA 49 HB3 ALA 49 -2.589 2.124 3.913
408 H LYS 50 H LYS 50 -4.404 3.837 4.700
409 HA LYS 50 HA LYS 50 -2.904 5.931 5.828
410 HB2 LYS 50 HB2 LYS 50 -5.716 6.113 4.740
411 HB3 LYS 50 HB3 LYS 50 -4.547 7.417 4.860
412 HG2 LYS 50 HG2 LYS 50 -3.146 6.349 3.191
413 HG3 LYS 50 HG3 LYS 50 -4.268 4.987 3.105
414 HD2 LYS 50 HD2 LYS 50 -4.802 6.374 1.264
415 HD3 LYS 50 HD3 LYS 50 -6.052 6.681 2.471
416 HE2 LYS 50 HE2 LYS 50 -4.316 8.572 3.192
417 HE3 LYS 50 HE3 LYS 50 -3.871 8.438 1.492
418 HZ1 LYS 50 HZ1 LYS 50 -6.550 9.079 2.601
419 HZ2 LYS 50 HZ2 LYS 50 -6.249 8.794 0.955
420 HZ3 LYS 50 HZ3 LYS 50 -5.530 10.119 1.730
421 H GLU 51 H GLU 51 -5.932 4.411 6.787
422 HA GLU 51 HA GLU 51 -6.624 6.255 8.834
423 HB2 GLU 51 HB2 GLU 51 -7.391 3.336 8.573
424 HB3 GLU 51 HB3 GLU 51 -8.189 4.520 9.594
425 HG2 GLU 51 HG2 GLU 51 -8.893 5.756 7.602
426 HG3 GLU 51 HG3 GLU 51 -8.100 4.557 6.581
427 H HIS 52 H HIS 52 -4.950 3.133 8.845
428 HA HIS 52 HA HIS 52 -4.674 3.056 11.693
429 HB2 HIS 52 HB2 HIS 52 -4.811 1.001 10.404
430 HB3 HIS 52 HB3 HIS 52 -3.357 1.427 9.515
431 HD1 HIS 52 HD1 HIS 52 -4.293 0.825 13.173
432 HD2 HIS 52 HD2 HIS 52 -1.176 0.196 10.492
433 HE1 HIS 52 HE1 HIS 52 -2.567 -0.511 14.432
434 HE2 HIS 52 HE2 HIS 52 -0.853 -1.124 12.686
435 H LEU 53 H LEU 53 -2.441 3.780 9.021
436 HA LEU 53 HA LEU 53 -0.178 4.157 10.707
437 HB2 LEU 53 HB2 LEU 53 -0.716 5.142 7.904
438 HB3 LEU 53 HB3 LEU 53 0.837 5.227 8.710
439 HG LEU 53 HG LEU 53 -0.600 2.637 8.135
440 HD11 LEU 53 HD11 LEU 53 -0.070 3.765 6.044
441 HD12 LEU 53 HD12 LEU 53 0.983 2.370 6.283
442 HD13 LEU 53 HD13 LEU 53 1.593 3.999 6.577
443 HD21 LEU 53 HD21 LEU 53 2.240 3.259 8.948
444 HD22 LEU 53 HD22 LEU 53 1.626 1.662 8.524
445 HD23 LEU 53 HD23 LEU 53 1.007 2.493 9.952
446 H GLY 54 H GLY 54 -2.583 6.324 9.304
447 HA2 GLY 54 HA2 GLY 54 -3.320 8.289 10.415
448 HA3 GLY 54 HA3 GLY 54 -1.779 8.354 11.259
449 H GLY 55 H GLY 55 -3.213 8.632 8.037
450 HA2 GLY 55 HA2 GLY 55 -0.998 10.370 7.214
451 HA3 GLY 55 HA3 GLY 55 -2.217 9.679 6.153
452 H LEU 56 H LEU 56 -2.505 11.814 5.262
453 HA LEU 56 HA LEU 56 -3.570 13.890 6.974
454 HB2 LEU 56 HB2 LEU 56 -2.135 14.022 4.713
455 HB3 LEU 56 HB3 LEU 56 -3.736 14.081 4.010
456 HG LEU 56 HG LEU 56 -2.650 16.025 6.051
457 HD11 LEU 56 HD11 LEU 56 -2.608 17.611 4.215
458 HD12 LEU 56 HD12 LEU 56 -3.157 16.356 3.105
459 HD13 LEU 56 HD13 LEU 56 -1.576 16.222 3.873
460 HD21 LEU 56 HD21 LEU 56 -4.652 17.346 5.540
461 HD22 LEU 56 HD22 LEU 56 -5.058 15.790 6.262
462 HD23 LEU 56 HD23 LEU 56 -5.252 16.033 4.525
463 H GLU 57 H GLU 57 -5.235 12.203 7.607
464 HA GLU 57 HA GLU 57 -7.479 12.123 5.707
465 HB2 GLU 57 HB2 GLU 57 -7.140 10.372 8.139
466 HB3 GLU 57 HB3 GLU 57 -8.229 10.131 6.783
467 HG2 GLU 57 HG2 GLU 57 -5.234 9.852 6.775
468 HG3 GLU 57 HG3 GLU 57 -6.428 8.563 6.648
469 H HIS 58 H HIS 58 -9.651 12.047 6.848
470 HA HIS 58 HA HIS 58 -9.664 13.582 9.350
471 HB2 HIS 58 HB2 HIS 58 -11.420 14.075 6.933
472 HB3 HIS 58 HB3 HIS 58 -11.747 14.745 8.528
473 HD1 HIS 58 HD1 HIS 58 -10.136 16.614 9.388
474 HD2 HIS 58 HD2 HIS 58 -9.398 15.345 5.490
475 HE1 HIS 58 HE1 HIS 58 -8.587 18.326 8.397
476 HE2 HIS 58 HE2 HIS 58 -8.272 17.627 5.992
477 H HIS 59 H HIS 59 -11.751 13.300 10.539
478 HA HIS 59 HA HIS 59 -12.278 10.452 10.521
479 HB2 HIS 59 HB2 HIS 59 -11.854 11.741 12.640
480 HB3 HIS 59 HB3 HIS 59 -13.410 12.531 12.404
481 HD1 HIS 59 HD1 HIS 59 -14.924 11.558 14.091
482 HD2 HIS 59 HD2 HIS 59 -12.578 8.653 12.263
483 HE1 HIS 59 HE1 HIS 59 -15.717 9.360 15.024
484 HE2 HIS 59 HE2 HIS 59 -14.166 7.639 14.033
485 H HIS 60 H HIS 60 -13.518 10.064 8.746
486 HA HIS 60 HA HIS 60 -16.084 11.398 8.445
487 HB2 HIS 60 HB2 HIS 60 -14.637 9.287 6.848
488 HB3 HIS 60 HB3 HIS 60 -16.318 9.693 6.532
489 HD1 HIS 60 HD1 HIS 60 -12.919 10.657 5.680
490 HD2 HIS 60 HD2 HIS 60 -16.649 12.498 5.728
491 HE1 HIS 60 HE1 HIS 60 -12.691 12.683 4.217
492 HE2 HIS 60 HE2 HIS 60 -15.030 13.598 4.031
493 H HIS 61 H HIS 61 -18.055 10.063 8.238
494 HA HIS 61 HA HIS 61 -18.264 8.199 10.415
495 HB2 HIS 61 HB2 HIS 61 -20.258 9.082 8.317
496 HB3 HIS 61 HB3 HIS 61 -20.643 7.947 9.612
497 HD1 HIS 61 HD1 HIS 61 -21.522 11.129 8.970
498 HD2 HIS 61 HD2 HIS 61 -19.369 9.515 12.144
499 HE1 HIS 61 HE1 HIS 61 -21.732 12.787 10.852
500 HE2 HIS 61 HE2 HIS 61 -20.228 11.898 12.668
501 H HIS 62 H HIS 62 -18.355 6.033 10.352
502 HA HIS 62 HA HIS 62 -17.918 4.767 7.737
503 HB2 HIS 62 HB2 HIS 62 -16.139 3.361 8.740
504 HB3 HIS 62 HB3 HIS 62 -15.713 5.066 8.717
505 HD1 HIS 62 HD1 HIS 62 -16.529 2.245 11.061
506 HD2 HIS 62 HD2 HIS 62 -15.446 6.266 11.228
507 HE1 HIS 62 HE1 HIS 62 -15.894 2.687 13.457
508 HE2 HIS 62 HE2 HIS 62 -15.179 5.105 13.523
509 H HIS 63 H HIS 63 -17.679 2.218 8.333
510 HA HIS 63 HA HIS 63 -20.224 1.551 9.583
511 HB2 HIS 63 HB2 HIS 63 -18.234 -0.216 8.132
512 HB3 HIS 63 HB3 HIS 63 -19.816 -0.724 8.718
513 HD1 HIS 63 HD1 HIS 63 -18.487 -0.287 5.661
514 HD2 HIS 63 HD2 HIS 63 -21.688 1.610 7.522
515 HE1 HIS 63 HE1 HIS 63 -19.885 0.671 3.799
516 HE2 HIS 63 HE2 HIS 63 -21.925 1.615 4.945
Start of MODEL 3
1 H1 MET 1 H1 MET 1 13.079 -9.754 -5.350
2 H2 MET 1 H2 MET 1 13.557 -10.459 -3.886
3 H3 MET 1 H3 MET 1 12.904 -8.895 -3.894
4 HA MET 1 HA MET 1 10.792 -9.763 -4.675
5 HB2 MET 1 HB2 MET 1 11.802 -11.770 -5.783
6 HB3 MET 1 HB3 MET 1 12.069 -12.466 -4.191
7 HG2 MET 1 HG2 MET 1 9.685 -12.533 -3.785
8 HG3 MET 1 HG3 MET 1 9.376 -11.741 -5.329
9 HE1 MET 1 HE1 MET 1 7.910 -14.415 -4.543
10 HE2 MET 1 HE2 MET 1 8.069 -15.355 -6.026
11 HE3 MET 1 HE3 MET 1 7.702 -13.633 -6.111
12 H GLY 2 H GLY 2 9.321 -9.713 -3.069
13 HA2 GLY 2 HA2 GLY 2 9.046 -10.921 -0.723
14 HA3 GLY 2 HA3 GLY 2 10.359 -9.810 -0.349
15 H GLU 3 H GLU 3 7.142 -9.853 -1.824
16 HA GLU 3 HA GLU 3 6.339 -7.534 -0.303
17 HB2 GLU 3 HB2 GLU 3 5.653 -6.284 -2.355
18 HB3 GLU 3 HB3 GLU 3 7.396 -6.435 -2.178
19 HG2 GLU 3 HG2 GLU 3 7.342 -8.333 -3.770
20 HG3 GLU 3 HG3 GLU 3 5.623 -8.033 -4.015
21 H LEU 4 H LEU 4 3.984 -7.035 -0.787
22 HA LEU 4 HA LEU 4 2.591 -9.577 -1.128
23 HB2 LEU 4 HB2 LEU 4 1.612 -6.868 -0.230
24 HB3 LEU 4 HB3 LEU 4 0.607 -8.302 -0.343
25 HG LEU 4 HG LEU 4 3.000 -7.984 1.470
26 HD11 LEU 4 HD11 LEU 4 1.331 -8.014 3.265
27 HD12 LEU 4 HD12 LEU 4 0.048 -7.992 2.055
28 HD13 LEU 4 HD13 LEU 4 1.149 -6.622 2.201
29 HD21 LEU 4 HD21 LEU 4 2.704 -10.292 0.748
30 HD22 LEU 4 HD22 LEU 4 1.007 -10.233 1.220
31 HD23 LEU 4 HD23 LEU 4 2.267 -10.104 2.446
32 H SER 5 H SER 5 0.270 -9.173 -2.225
33 HA SER 5 HA SER 5 1.009 -8.551 -4.957
34 HB2 SER 5 HB2 SER 5 -0.268 -10.609 -4.454
35 HB3 SER 5 HB3 SER 5 -1.603 -9.623 -3.857
36 HG SER 5 HG SER 5 -1.352 -8.619 -6.112
37 H TRP 6 H TRP 6 1.141 -6.367 -5.139
38 HA TRP 6 HA TRP 6 -1.008 -4.656 -4.260
39 HB2 TRP 6 HB2 TRP 6 1.539 -4.171 -5.805
40 HB3 TRP 6 HB3 TRP 6 0.357 -2.900 -5.510
41 HD1 TRP 6 HD1 TRP 6 2.472 -5.395 -3.394
42 HE1 TRP 6 HE1 TRP 6 3.125 -4.211 -1.198
43 HE3 TRP 6 HE3 TRP 6 0.007 -0.980 -4.122
44 HZ2 TRP 6 HZ2 TRP 6 2.632 -1.710 0.048
45 HZ3 TRP 6 HZ3 TRP 6 0.154 0.757 -2.391
46 HH2 TRP 6 HH2 TRP 6 1.439 0.398 -0.354
47 H THR 7 H THR 7 -2.708 -3.997 -5.432
48 HA THR 7 HA THR 7 -2.975 -5.029 -8.144
49 HB THR 7 HB THR 7 -5.314 -4.221 -7.987
50 HG1 THR 7 HG1 THR 7 -5.998 -3.471 -5.877
51 HG21 THR 7 HG21 THR 7 -4.748 -6.491 -7.241
52 HG22 THR 7 HG22 THR 7 -6.069 -5.808 -6.293
53 HG23 THR 7 HG23 THR 7 -4.443 -5.874 -5.616
54 H ALA 8 H ALA 8 -4.042 -3.557 -9.773
55 HA ALA 8 HA ALA 8 -2.433 -1.346 -10.347
56 HB1 ALA 8 HB1 ALA 8 -5.214 -1.956 -11.341
57 HB2 ALA 8 HB2 ALA 8 -3.704 -2.528 -12.047
58 HB3 ALA 8 HB3 ALA 8 -4.092 -0.809 -12.071
59 H GLU 9 H GLU 9 -5.344 -1.611 -8.446
60 HA GLU 9 HA GLU 9 -6.144 1.077 -8.369
61 HB2 GLU 9 HB2 GLU 9 -6.292 -0.890 -6.080
62 HB3 GLU 9 HB3 GLU 9 -7.294 0.533 -6.313
63 HG2 GLU 9 HG2 GLU 9 -8.285 -0.513 -8.299
64 HG3 GLU 9 HG3 GLU 9 -7.302 -1.951 -8.011
65 H ALA 10 H ALA 10 -4.062 -0.764 -6.170
66 HA ALA 10 HA ALA 10 -3.427 1.472 -4.540
67 HB1 ALA 10 HB1 ALA 10 -3.408 -0.815 -3.689
68 HB2 ALA 10 HB2 ALA 10 -1.851 -0.026 -3.445
69 HB3 ALA 10 HB3 ALA 10 -2.051 -1.201 -4.744
70 H GLU 11 H GLU 11 -1.815 -0.147 -7.223
71 HA GLU 11 HA GLU 11 0.655 1.153 -7.109
72 HB2 GLU 11 HB2 GLU 11 -0.928 -0.032 -9.371
73 HB3 GLU 11 HB3 GLU 11 0.636 0.718 -9.651
74 HG2 GLU 11 HG2 GLU 11 0.212 -1.514 -7.684
75 HG3 GLU 11 HG3 GLU 11 0.639 -1.778 -9.375
76 H LYS 12 H LYS 12 -2.382 2.161 -8.643
77 HA LYS 12 HA LYS 12 -1.214 4.500 -9.812
78 HB2 LYS 12 HB2 LYS 12 -4.080 3.650 -9.431
79 HB3 LYS 12 HB3 LYS 12 -3.614 5.146 -10.231
80 HG2 LYS 12 HG2 LYS 12 -2.399 3.884 -11.921
81 HG3 LYS 12 HG3 LYS 12 -2.827 2.376 -11.106
82 HD2 LYS 12 HD2 LYS 12 -5.177 2.775 -11.526
83 HD3 LYS 12 HD3 LYS 12 -4.807 4.349 -12.236
84 HE2 LYS 12 HE2 LYS 12 -3.540 3.250 -14.015
85 HE3 LYS 12 HE3 LYS 12 -3.904 1.677 -13.305
86 HZ1 LYS 12 HZ1 LYS 12 -5.367 2.290 -15.182
87 HZ2 LYS 12 HZ2 LYS 12 -5.970 3.582 -14.263
88 HZ3 LYS 12 HZ3 LYS 12 -6.211 1.984 -13.743
89 H MET 13 H MET 13 -3.073 3.827 -6.889
90 HA MET 13 HA MET 13 -3.402 6.537 -6.111
91 HB2 MET 13 HB2 MET 13 -3.466 3.969 -4.522
92 HB3 MET 13 HB3 MET 13 -3.850 5.544 -3.838
93 HG2 MET 13 HG2 MET 13 -5.720 5.796 -5.310
94 HG3 MET 13 HG3 MET 13 -5.284 4.330 -6.183
95 HE1 MET 13 HE1 MET 13 -6.616 5.801 -2.776
96 HE2 MET 13 HE2 MET 13 -5.172 4.910 -2.294
97 HE3 MET 13 HE3 MET 13 -6.765 4.332 -1.812
98 H LEU 14 H LEU 14 -0.979 4.081 -5.421
99 HA LEU 14 HA LEU 14 0.573 5.774 -3.698
100 HB2 LEU 14 HB2 LEU 14 0.537 3.295 -3.547
101 HB3 LEU 14 HB3 LEU 14 1.330 3.210 -5.108
102 HG LEU 14 HG LEU 14 3.290 4.377 -4.137
103 HD11 LEU 14 HD11 LEU 14 2.163 5.576 -2.345
104 HD12 LEU 14 HD12 LEU 14 3.469 4.576 -1.709
105 HD13 LEU 14 HD13 LEU 14 1.793 4.050 -1.543
106 HD21 LEU 14 HD21 LEU 14 2.410 1.849 -2.756
107 HD22 LEU 14 HD22 LEU 14 4.060 2.474 -2.774
108 HD23 LEU 14 HD23 LEU 14 3.290 1.971 -4.279
109 H GLY 15 H GLY 15 0.240 5.341 -7.070
110 HA2 GLY 15 HA2 GLY 15 2.820 6.126 -7.939
111 HA3 GLY 15 HA3 GLY 15 1.339 6.201 -8.886
112 H LYS 16 H LYS 16 0.168 7.884 -6.651
113 HA LYS 16 HA LYS 16 0.784 10.450 -7.690
114 HB2 LYS 16 HB2 LYS 16 -0.571 9.707 -5.091
115 HB3 LYS 16 HB3 LYS 16 -0.611 11.289 -5.857
116 HG2 LYS 16 HG2 LYS 16 -1.833 10.360 -7.747
117 HG3 LYS 16 HG3 LYS 16 -1.765 8.757 -7.012
118 HD2 LYS 16 HD2 LYS 16 -3.923 9.772 -6.581
119 HD3 LYS 16 HD3 LYS 16 -3.018 9.617 -5.072
120 HE2 LYS 16 HE2 LYS 16 -2.307 11.996 -5.345
121 HE3 LYS 16 HE3 LYS 16 -3.395 12.107 -6.729
122 HZ1 LYS 16 HZ1 LYS 16 -4.537 12.947 -4.856
123 HZ2 LYS 16 HZ2 LYS 16 -4.123 11.618 -3.900
124 HZ3 LYS 16 HZ3 LYS 16 -5.215 11.427 -5.186
125 H VAL 17 H VAL 17 2.168 8.445 -5.315
126 HA VAL 17 HA VAL 17 3.555 10.596 -3.929
127 HB VAL 17 HB VAL 17 3.744 7.596 -3.563
128 HG11 VAL 17 HG11 VAL 17 4.682 9.850 -1.794
129 HG12 VAL 17 HG12 VAL 17 5.712 8.770 -2.733
130 HG13 VAL 17 HG13 VAL 17 4.752 8.133 -1.396
131 HG21 VAL 17 HG21 VAL 17 2.164 9.614 -1.977
132 HG22 VAL 17 HG22 VAL 17 2.283 7.885 -1.646
133 HG23 VAL 17 HG23 VAL 17 1.489 8.449 -3.117
134 HA PRO 18 HA PRO 18 6.947 10.578 -6.844
135 HB2 PRO 18 HB2 PRO 18 8.412 11.426 -4.382
136 HB3 PRO 18 HB3 PRO 18 8.418 12.142 -6.000
137 HG2 PRO 18 HG2 PRO 18 7.036 13.285 -4.046
138 HG3 PRO 18 HG3 PRO 18 6.371 13.193 -5.687
139 HD2 PRO 18 HD2 PRO 18 5.679 11.582 -3.268
140 HD3 PRO 18 HD3 PRO 18 4.627 12.174 -4.570
141 H PHE 19 H PHE 19 8.335 9.032 -7.436
142 HA PHE 19 HA PHE 19 8.371 6.583 -6.158
143 HB2 PHE 19 HB2 PHE 19 10.086 5.903 -7.748
144 HB3 PHE 19 HB3 PHE 19 8.841 6.856 -8.542
145 HD1 PHE 19 HD2 PHE 19 9.332 9.222 -9.175
146 HD2 PHE 19 HD1 PHE 19 12.346 6.582 -7.739
147 HE1 PHE 19 HE2 PHE 19 11.065 10.702 -10.105
148 HE2 PHE 19 HE1 PHE 19 14.084 8.057 -8.664
149 HZ PHE 19 HZ PHE 19 13.446 10.120 -9.849
150 H PHE 20 H PHE 20 10.500 9.287 -5.648
151 HA PHE 20 HA PHE 20 12.711 8.112 -4.472
152 HB2 PHE 20 HB2 PHE 20 11.315 10.627 -3.519
153 HB3 PHE 20 HB3 PHE 20 12.987 10.181 -3.195
154 HD1 PHE 20 HD2 PHE 20 14.633 10.178 -5.053
155 HD2 PHE 20 HD1 PHE 20 10.679 11.669 -5.515
156 HE1 PHE 20 HE2 PHE 20 15.332 11.389 -7.078
157 HE2 PHE 20 HE1 PHE 20 11.371 12.884 -7.542
158 HZ PHE 20 HZ PHE 20 13.701 12.745 -8.321
159 H VAL 21 H VAL 21 9.702 9.144 -2.894
160 HA VAL 21 HA VAL 21 10.509 7.692 -0.483
161 HB VAL 21 HB VAL 21 8.752 8.953 0.677
162 HG11 VAL 21 HG11 VAL 21 10.652 10.638 -0.948
163 HG12 VAL 21 HG12 VAL 21 10.982 9.878 0.612
164 HG13 VAL 21 HG13 VAL 21 9.798 11.181 0.498
165 HG21 VAL 21 HG21 VAL 21 8.317 10.306 -1.986
166 HG22 VAL 21 HG22 VAL 21 7.590 10.790 -0.455
167 HG23 VAL 21 HG23 VAL 21 7.182 9.233 -1.172
168 H ARG 22 H ARG 22 8.494 7.356 -3.179
169 HA ARG 22 HA ARG 22 6.272 6.019 -2.179
170 HB2 ARG 22 HB2 ARG 22 6.493 6.606 -4.561
171 HB3 ARG 22 HB3 ARG 22 7.773 5.412 -4.741
172 HG2 ARG 22 HG2 ARG 22 5.918 3.793 -3.793
173 HG3 ARG 22 HG3 ARG 22 4.843 5.028 -4.445
174 HD2 ARG 22 HD2 ARG 22 7.036 3.758 -6.064
175 HD3 ARG 22 HD3 ARG 22 5.416 3.077 -5.968
176 HE ARG 22 HE ARG 22 5.776 5.843 -6.889
177 HH11 ARG 22 HH11 ARG 22 4.785 2.536 -7.477
178 HH12 ARG 22 HH12 ARG 22 4.062 2.887 -9.019
179 HH21 ARG 22 HH21 ARG 22 4.843 6.315 -8.916
180 HH22 ARG 22 HH22 ARG 22 4.092 5.045 -9.839
181 H LYS 23 H LYS 23 9.536 4.903 -2.748
182 HA LYS 23 HA LYS 23 9.135 2.142 -2.494
183 HB2 LYS 23 HB2 LYS 23 11.228 3.457 -3.241
184 HB3 LYS 23 HB3 LYS 23 11.606 3.564 -1.528
185 HG2 LYS 23 HG2 LYS 23 12.815 1.731 -2.386
186 HG3 LYS 23 HG3 LYS 23 11.478 1.055 -1.451
187 HD2 LYS 23 HD2 LYS 23 10.209 0.708 -3.510
188 HD3 LYS 23 HD3 LYS 23 11.525 1.413 -4.447
189 HE2 LYS 23 HE2 LYS 23 13.009 -0.394 -3.542
190 HE3 LYS 23 HE3 LYS 23 11.567 -1.144 -2.859
191 HZ1 LYS 23 HZ1 LYS 23 12.110 -2.120 -4.990
192 HZ2 LYS 23 HZ2 LYS 23 12.059 -0.597 -5.737
193 HZ3 LYS 23 HZ3 LYS 23 10.641 -1.275 -5.106
194 H LYS 24 H LYS 24 9.831 4.640 -0.104
195 HA LYS 24 HA LYS 24 10.133 2.877 2.109
196 HB2 LYS 24 HB2 LYS 24 10.957 5.315 1.813
197 HB3 LYS 24 HB3 LYS 24 9.336 5.772 2.310
198 HG2 LYS 24 HG2 LYS 24 9.670 4.514 4.412
199 HG3 LYS 24 HG3 LYS 24 11.335 4.195 3.915
200 HD2 LYS 24 HD2 LYS 24 11.669 6.663 3.734
201 HD3 LYS 24 HD3 LYS 24 10.065 6.880 4.433
202 HE2 LYS 24 HE2 LYS 24 12.453 5.572 5.719
203 HE3 LYS 24 HE3 LYS 24 11.719 7.114 6.158
204 HZ1 LYS 24 HZ1 LYS 24 9.634 5.743 6.591
205 HZ2 LYS 24 HZ2 LYS 24 10.903 5.612 7.707
206 HZ3 LYS 24 HZ3 LYS 24 10.659 4.386 6.561
207 H VAL 25 H VAL 25 7.481 4.839 0.846
208 HA VAL 25 HA VAL 25 5.650 4.310 2.939
209 HB VAL 25 HB VAL 25 5.068 5.097 0.072
210 HG11 VAL 25 HG11 VAL 25 3.106 4.175 1.216
211 HG12 VAL 25 HG12 VAL 25 2.931 5.908 0.934
212 HG13 VAL 25 HG13 VAL 25 3.344 5.313 2.543
213 HG21 VAL 25 HG21 VAL 25 5.453 6.775 2.553
214 HG22 VAL 25 HG22 VAL 25 4.886 7.383 0.998
215 HG23 VAL 25 HG23 VAL 25 6.513 6.717 1.143
216 H ARG 26 H ARG 26 6.175 2.811 -0.234
217 HA ARG 26 HA ARG 26 4.022 1.039 -0.241
218 HB2 ARG 26 HB2 ARG 26 5.725 1.549 -2.104
219 HB3 ARG 26 HB3 ARG 26 6.736 0.328 -1.343
220 HG2 ARG 26 HG2 ARG 26 4.899 -1.305 -1.622
221 HG3 ARG 26 HG3 ARG 26 3.986 -0.073 -2.499
222 HD2 ARG 26 HD2 ARG 26 6.169 0.068 -3.940
223 HD3 ARG 26 HD3 ARG 26 6.450 -1.549 -3.299
224 HE ARG 26 HE ARG 26 4.104 -0.761 -4.907
225 HH11 ARG 26 HH11 ARG 26 6.290 -3.220 -3.703
226 HH12 ARG 26 HH12 ARG 26 5.742 -4.434 -4.828
227 HH21 ARG 26 HH21 ARG 26 3.368 -2.330 -6.369
228 HH22 ARG 26 HH22 ARG 26 4.077 -3.923 -6.343
229 H LYS 27 H LYS 27 7.324 0.580 0.911
230 HA LYS 27 HA LYS 27 7.194 -2.044 1.788
231 HB2 LYS 27 HB2 LYS 27 9.254 -0.719 1.634
232 HB3 LYS 27 HB3 LYS 27 8.719 0.287 2.971
233 HG2 LYS 27 HG2 LYS 27 8.775 -1.710 4.433
234 HG3 LYS 27 HG3 LYS 27 9.436 -2.634 3.082
235 HD2 LYS 27 HD2 LYS 27 11.348 -1.102 2.977
236 HD3 LYS 27 HD3 LYS 27 10.686 -0.191 4.334
237 HE2 LYS 27 HE2 LYS 27 12.392 -1.655 5.162
238 HE3 LYS 27 HE3 LYS 27 10.827 -2.241 5.718
239 HZ1 LYS 27 HZ1 LYS 27 10.857 -3.903 3.969
240 HZ2 LYS 27 HZ2 LYS 27 12.240 -4.038 4.940
241 HZ3 LYS 27 HZ3 LYS 27 12.355 -3.328 3.410
242 H ASN 28 H ASN 28 6.158 0.914 3.379
243 HA ASN 28 HA ASN 28 5.742 -0.198 5.949
244 HB2 ASN 28 HB2 ASN 28 5.737 2.327 4.946
245 HB3 ASN 28 HB3 ASN 28 4.010 2.050 5.136
246 HD21 ASN 28 HD21 ASN 28 7.030 2.502 6.726
247 HD22 ASN 28 HD22 ASN 28 6.411 2.639 8.333
248 H THR 29 H THR 29 3.665 0.246 3.131
249 HA THR 29 HA THR 29 1.274 -0.662 4.373
250 HB THR 29 HB THR 29 1.289 -1.168 1.558
251 HG1 THR 29 HG1 THR 29 2.937 0.275 1.293
252 HG21 THR 29 HG21 THR 29 -0.014 0.986 3.219
253 HG22 THR 29 HG22 THR 29 -0.694 -0.599 2.848
254 HG23 THR 29 HG23 THR 29 -0.439 0.573 1.556
255 H ASP 30 H ASP 30 3.773 -2.244 2.396
256 HA ASP 30 HA ASP 30 2.604 -4.754 2.119
257 HB2 ASP 30 HB2 ASP 30 5.482 -3.903 2.378
258 HB3 ASP 30 HB3 ASP 30 5.054 -5.603 2.249
259 H ASN 31 H ASN 31 4.360 -3.350 4.815
260 HA ASN 31 HA ASN 31 4.234 -5.760 6.383
261 HB2 ASN 31 HB2 ASN 31 5.026 -2.917 7.028
262 HB3 ASN 31 HB3 ASN 31 4.944 -4.166 8.265
263 HD21 ASN 31 HD21 ASN 31 5.981 -4.723 4.962
264 HD22 ASN 31 HD22 ASN 31 7.632 -5.060 5.345
265 H TYR 32 H TYR 32 2.208 -2.951 5.902
266 HA TYR 32 HA TYR 32 0.664 -3.173 8.263
267 HB2 TYR 32 HB2 TYR 32 0.342 -1.160 7.071
268 HB3 TYR 32 HB3 TYR 32 0.063 -2.002 5.543
269 HD1 TYR 32 HD1 TYR 32 -1.404 -1.468 8.924
270 HD2 TYR 32 HD2 TYR 32 -2.131 -2.529 4.868
271 HE1 TYR 32 HE1 TYR 32 -3.820 -1.486 9.363
272 HE2 TYR 32 HE2 TYR 32 -4.551 -2.534 5.299
273 HH TYR 32 HH TYR 32 -6.064 -2.829 7.232
274 H ALA 33 H ALA 33 0.001 -4.327 4.968
275 HA ALA 33 HA ALA 33 -2.323 -5.766 5.672
276 HB1 ALA 33 HB1 ALA 33 -2.127 -6.791 3.467
277 HB2 ALA 33 HB2 ALA 33 -0.483 -6.176 3.317
278 HB3 ALA 33 HB3 ALA 33 -1.841 -5.054 3.382
279 H ARG 34 H ARG 34 1.078 -6.553 5.644
280 HA ARG 34 HA ARG 34 0.872 -9.342 6.010
281 HB2 ARG 34 HB2 ARG 34 2.937 -7.733 5.537
282 HB3 ARG 34 HB3 ARG 34 3.093 -7.809 7.288
283 HG2 ARG 34 HG2 ARG 34 4.496 -9.477 6.260
284 HG3 ARG 34 HG3 ARG 34 3.185 -10.264 7.147
285 HD2 ARG 34 HD2 ARG 34 1.929 -10.461 5.037
286 HD3 ARG 34 HD3 ARG 34 3.296 -9.768 4.177
287 HE ARG 34 HE ARG 34 4.527 -11.803 5.231
288 HH11 ARG 34 HH11 ARG 34 1.206 -11.797 4.121
289 HH12 ARG 34 HH12 ARG 34 1.253 -13.434 3.532
290 HH21 ARG 34 HH21 ARG 34 4.609 -13.960 4.446
291 HH22 ARG 34 HH22 ARG 34 3.201 -14.657 3.693
292 H GLU 35 H GLU 35 0.549 -6.630 8.162
293 HA GLU 35 HA GLU 35 0.908 -8.039 10.607
294 HB2 GLU 35 HB2 GLU 35 1.225 -5.605 10.409
295 HB3 GLU 35 HB3 GLU 35 -0.481 -5.406 10.044
296 HG2 GLU 35 HG2 GLU 35 -1.055 -6.217 12.273
297 HG3 GLU 35 HG3 GLU 35 0.658 -6.428 12.637
298 H ILE 36 H ILE 36 -1.919 -7.111 8.682
299 HA ILE 36 HA ILE 36 -3.689 -8.353 10.639
300 HB ILE 36 HB ILE 36 -5.527 -7.520 9.170
301 HG12 ILE 36 HG12 ILE 36 -3.250 -6.172 7.695
302 HG13 ILE 36 HG13 ILE 36 -4.283 -7.444 7.051
303 HG21 ILE 36 HG21 ILE 36 -5.200 -5.144 9.784
304 HG22 ILE 36 HG22 ILE 36 -3.527 -5.514 10.197
305 HG23 ILE 36 HG23 ILE 36 -4.843 -6.261 11.103
306 HD11 ILE 36 HD11 ILE 36 -5.176 -4.692 7.871
307 HD12 ILE 36 HD12 ILE 36 -6.211 -5.961 7.218
308 HD13 ILE 36 HD13 ILE 36 -4.937 -5.261 6.219
309 H GLY 37 H GLY 37 -2.136 -9.191 7.728
310 HA2 GLY 37 HA2 GLY 37 -1.992 -11.423 7.006
311 HA3 GLY 37 HA3 GLY 37 -3.503 -11.764 7.832
312 H GLU 38 H GLU 38 -2.799 -9.223 5.450
313 HA GLU 38 HA GLU 38 -4.678 -10.568 3.621
314 HB2 GLU 38 HB2 GLU 38 -4.153 -7.592 3.847
315 HB3 GLU 38 HB3 GLU 38 -5.275 -8.359 2.729
316 HG2 GLU 38 HG2 GLU 38 -6.505 -9.239 4.734
317 HG3 GLU 38 HG3 GLU 38 -5.473 -8.212 5.725
318 HA PRO 39 HA PRO 39 -0.830 -10.844 1.337
319 HB2 PRO 39 HB2 PRO 39 -2.308 -12.501 -0.542
320 HB3 PRO 39 HB3 PRO 39 -1.013 -12.961 0.564
321 HG2 PRO 39 HG2 PRO 39 -3.593 -13.769 0.869
322 HG3 PRO 39 HG3 PRO 39 -2.477 -13.556 2.231
323 HD2 PRO 39 HD2 PRO 39 -4.635 -11.736 1.237
324 HD3 PRO 39 HD3 PRO 39 -4.177 -12.133 2.908
325 H VAL 40 H VAL 40 -3.876 -9.695 0.219
326 HA VAL 40 HA VAL 40 -2.652 -8.684 -2.266
327 HB VAL 40 HB VAL 40 -5.593 -9.126 -1.700
328 HG11 VAL 40 HG11 VAL 40 -4.171 -8.368 -4.250
329 HG12 VAL 40 HG12 VAL 40 -5.177 -7.302 -3.269
330 HG13 VAL 40 HG13 VAL 40 -5.898 -8.688 -4.088
331 HG21 VAL 40 HG21 VAL 40 -3.670 -10.736 -3.379
332 HG22 VAL 40 HG22 VAL 40 -5.418 -10.974 -3.328
333 HG23 VAL 40 HG23 VAL 40 -4.446 -11.254 -1.881
334 H VAL 41 H VAL 41 -2.391 -6.560 -2.427
335 HA VAL 41 HA VAL 41 -3.702 -4.842 -0.435
336 HB VAL 41 HB VAL 41 -1.280 -4.202 -2.128
337 HG11 VAL 41 HG11 VAL 41 -2.496 -2.778 0.236
338 HG12 VAL 41 HG12 VAL 41 -2.500 -2.225 -1.439
339 HG13 VAL 41 HG13 VAL 41 -0.980 -2.339 -0.553
340 HG21 VAL 41 HG21 VAL 41 -1.404 -5.053 0.761
341 HG22 VAL 41 HG22 VAL 41 0.042 -4.534 -0.101
342 HG23 VAL 41 HG23 VAL 41 -0.783 -6.020 -0.575
343 H THR 42 H THR 42 -5.569 -4.197 -1.306
344 HA THR 42 HA THR 42 -5.620 -3.187 -4.055
345 HB THR 42 HB THR 42 -8.092 -3.138 -3.729
346 HG1 THR 42 HG1 THR 42 -8.954 -4.034 -1.846
347 HG21 THR 42 HG21 THR 42 -7.016 -5.108 -4.714
348 HG22 THR 42 HG22 THR 42 -8.425 -5.562 -3.754
349 HG23 THR 42 HG23 THR 42 -6.800 -5.798 -3.105
350 H ALA 43 H ALA 43 -7.498 -1.309 -4.075
351 HA ALA 43 HA ALA 43 -6.387 0.997 -2.907
352 HB1 ALA 43 HB1 ALA 43 -9.203 0.543 -3.900
353 HB2 ALA 43 HB2 ALA 43 -7.834 1.087 -4.872
354 HB3 ALA 43 HB3 ALA 43 -8.463 2.112 -3.582
355 H ASP 44 H ASP 44 -8.914 -1.210 -1.895
356 HA ASP 44 HA ASP 44 -9.829 0.251 0.340
357 HB2 ASP 44 HB2 ASP 44 -11.107 -1.604 -0.624
358 HB3 ASP 44 HB3 ASP 44 -9.852 -2.737 -0.132
359 H VAL 45 H VAL 45 -7.358 -2.263 -0.010
360 HA VAL 45 HA VAL 45 -6.686 -2.435 2.719
361 HB VAL 45 HB VAL 45 -4.928 -2.976 0.318
362 HG11 VAL 45 HG11 VAL 45 -4.638 -3.898 3.180
363 HG12 VAL 45 HG12 VAL 45 -3.629 -2.697 2.376
364 HG13 VAL 45 HG13 VAL 45 -3.610 -4.373 1.828
365 HG21 VAL 45 HG21 VAL 45 -6.689 -4.811 1.944
366 HG22 VAL 45 HG22 VAL 45 -5.573 -5.327 0.680
367 HG23 VAL 45 HG23 VAL 45 -6.955 -4.311 0.274
368 H PHE 46 H PHE 46 -5.376 -0.465 0.082
369 HA PHE 46 HA PHE 46 -3.386 0.855 1.567
370 HB2 PHE 46 HB2 PHE 46 -3.676 0.854 -0.949
371 HB3 PHE 46 HB3 PHE 46 -4.968 2.029 -0.730
372 HD1 PHE 46 HD1 PHE 46 -1.352 1.443 -0.230
373 HD2 PHE 46 HD2 PHE 46 -4.482 4.318 -0.451
374 HE1 PHE 46 HE1 PHE 46 0.318 3.249 -0.280
375 HE2 PHE 46 HE2 PHE 46 -2.817 6.129 -0.500
376 HZ PHE 46 HZ PHE 46 -0.415 5.598 -0.413
377 H ARG 47 H ARG 47 -6.788 1.602 0.993
378 HA ARG 47 HA ARG 47 -6.976 4.043 2.335
379 HB2 ARG 47 HB2 ARG 47 -8.775 3.188 0.956
380 HB3 ARG 47 HB3 ARG 47 -8.992 1.812 2.024
381 HG2 ARG 47 HG2 ARG 47 -9.678 3.381 3.820
382 HG3 ARG 47 HG3 ARG 47 -9.582 4.697 2.647
383 HD2 ARG 47 HD2 ARG 47 -11.354 2.263 2.442
384 HD3 ARG 47 HD3 ARG 47 -11.877 3.889 2.883
385 HE ARG 47 HE ARG 47 -11.294 4.588 0.622
386 HH11 ARG 47 HH11 ARG 47 -11.648 1.151 1.210
387 HH12 ARG 47 HH12 ARG 47 -11.875 0.765 -0.465
388 HH21 ARG 47 HH21 ARG 47 -11.591 4.071 -1.584
389 HH22 ARG 47 HH22 ARG 47 -11.828 2.412 -2.053
390 H LYS 48 H LYS 48 -7.523 0.750 3.566
391 HA LYS 48 HA LYS 48 -8.056 1.508 6.230
392 HB2 LYS 48 HB2 LYS 48 -6.986 -1.113 5.166
393 HB3 LYS 48 HB3 LYS 48 -7.666 -0.864 6.768
394 HG2 LYS 48 HG2 LYS 48 -9.827 -0.378 5.829
395 HG3 LYS 48 HG3 LYS 48 -9.174 -0.459 4.193
396 HD2 LYS 48 HD2 LYS 48 -9.377 -2.727 6.173
397 HD3 LYS 48 HD3 LYS 48 -10.336 -2.519 4.707
398 HE2 LYS 48 HE2 LYS 48 -8.178 -2.619 3.413
399 HE3 LYS 48 HE3 LYS 48 -7.383 -3.081 4.917
400 HZ1 LYS 48 HZ1 LYS 48 -9.099 -4.942 4.998
401 HZ2 LYS 48 HZ2 LYS 48 -7.852 -5.090 3.864
402 HZ3 LYS 48 HZ3 LYS 48 -9.397 -4.588 3.369
403 H ALA 49 H ALA 49 -5.102 0.764 4.505
404 HA ALA 49 HA ALA 49 -3.349 0.565 6.689
405 HB1 ALA 49 HB1 ALA 49 -1.575 0.991 5.098
406 HB2 ALA 49 HB2 ALA 49 -2.743 1.605 3.927
407 HB3 ALA 49 HB3 ALA 49 -2.772 -0.097 4.392
408 H LYS 50 H LYS 50 -4.268 3.338 4.688
409 HA LYS 50 HA LYS 50 -2.623 5.261 5.800
410 HB2 LYS 50 HB2 LYS 50 -5.394 5.498 4.634
411 HB3 LYS 50 HB3 LYS 50 -4.414 6.893 5.076
412 HG2 LYS 50 HG2 LYS 50 -2.752 6.331 3.465
413 HG3 LYS 50 HG3 LYS 50 -3.510 4.771 3.150
414 HD2 LYS 50 HD2 LYS 50 -3.991 6.361 1.368
415 HD3 LYS 50 HD3 LYS 50 -5.463 5.894 2.219
416 HE2 LYS 50 HE2 LYS 50 -5.468 7.972 3.443
417 HE3 LYS 50 HE3 LYS 50 -3.904 8.418 2.762
418 HZ1 LYS 50 HZ1 LYS 50 -6.310 7.945 1.098
419 HZ2 LYS 50 HZ2 LYS 50 -4.847 8.666 0.628
420 HZ3 LYS 50 HZ3 LYS 50 -5.892 9.477 1.696
421 H GLU 51 H GLU 51 -5.875 4.287 6.861
422 HA GLU 51 HA GLU 51 -6.063 6.147 8.979
423 HB2 GLU 51 HB2 GLU 51 -7.992 4.889 8.041
424 HB3 GLU 51 HB3 GLU 51 -7.361 3.422 8.777
425 HG2 GLU 51 HG2 GLU 51 -7.508 4.629 10.993
426 HG3 GLU 51 HG3 GLU 51 -8.438 5.865 10.146
427 H HIS 52 H HIS 52 -4.912 2.813 8.836
428 HA HIS 52 HA HIS 52 -4.609 2.474 11.638
429 HB2 HIS 52 HB2 HIS 52 -4.897 0.663 9.913
430 HB3 HIS 52 HB3 HIS 52 -3.228 0.930 9.441
431 HD1 HIS 52 HD1 HIS 52 -5.286 -0.292 12.359
432 HD2 HIS 52 HD2 HIS 52 -1.360 -0.366 10.985
433 HE1 HIS 52 HE1 HIS 52 -4.092 -1.969 13.801
434 HE2 HIS 52 HE2 HIS 52 -1.802 -2.197 12.762
435 H LEU 53 H LEU 53 -2.449 3.550 9.086
436 HA LEU 53 HA LEU 53 -0.130 3.548 10.812
437 HB2 LEU 53 HB2 LEU 53 -0.499 4.759 8.067
438 HB3 LEU 53 HB3 LEU 53 1.028 4.555 8.900
439 HG LEU 53 HG LEU 53 -0.756 2.299 7.978
440 HD11 LEU 53 HD11 LEU 53 1.866 3.289 6.861
441 HD12 LEU 53 HD12 LEU 53 0.283 3.526 6.122
442 HD13 LEU 53 HD13 LEU 53 0.942 1.899 6.288
443 HD21 LEU 53 HD21 LEU 53 1.121 0.865 8.560
444 HD22 LEU 53 HD22 LEU 53 0.554 1.753 9.975
445 HD23 LEU 53 HD23 LEU 53 2.025 2.260 9.143
446 H GLY 54 H GLY 54 -2.312 5.941 9.396
447 HA2 GLY 54 HA2 GLY 54 -2.396 7.756 11.422
448 HA3 GLY 54 HA3 GLY 54 -0.922 8.179 10.557
449 H GLY 55 H GLY 55 -4.392 8.018 10.421
450 HA2 GLY 55 HA2 GLY 55 -4.578 8.753 7.658
451 HA3 GLY 55 HA3 GLY 55 -5.905 8.654 8.802
452 H LEU 56 H LEU 56 -6.274 10.601 7.224
453 HA LEU 56 HA LEU 56 -4.938 13.038 7.746
454 HB2 LEU 56 HB2 LEU 56 -6.323 12.529 5.727
455 HB3 LEU 56 HB3 LEU 56 -7.752 12.609 6.733
456 HG LEU 56 HG LEU 56 -5.942 14.992 6.571
457 HD11 LEU 56 HD11 LEU 56 -6.316 14.342 4.255
458 HD12 LEU 56 HD12 LEU 56 -7.232 15.796 4.647
459 HD13 LEU 56 HD13 LEU 56 -8.051 14.238 4.551
460 HD21 LEU 56 HD21 LEU 56 -8.022 16.195 6.942
461 HD22 LEU 56 HD22 LEU 56 -7.802 14.962 8.185
462 HD23 LEU 56 HD23 LEU 56 -8.931 14.686 6.858
463 H GLU 57 H GLU 57 -7.722 11.426 9.151
464 HA GLU 57 HA GLU 57 -8.098 13.658 11.009
465 HB2 GLU 57 HB2 GLU 57 -10.207 12.546 11.630
466 HB3 GLU 57 HB3 GLU 57 -10.129 12.897 9.911
467 HG2 GLU 57 HG2 GLU 57 -9.433 10.199 11.031
468 HG3 GLU 57 HG3 GLU 57 -11.082 10.648 10.603
469 H HIS 58 H HIS 58 -7.733 13.495 13.127
470 HA HIS 58 HA HIS 58 -7.056 10.851 14.227
471 HB2 HIS 58 HB2 HIS 58 -5.650 13.483 14.733
472 HB3 HIS 58 HB3 HIS 58 -5.471 12.084 15.788
473 HD1 HIS 58 HD1 HIS 58 -3.664 10.488 15.189
474 HD2 HIS 58 HD2 HIS 58 -4.740 12.919 11.989
475 HE1 HIS 58 HE1 HIS 58 -2.038 9.945 13.345
476 HE2 HIS 58 HE2 HIS 58 -2.804 11.321 11.374
477 H HIS 59 H HIS 59 -7.544 10.620 16.493
478 HA HIS 59 HA HIS 59 -8.930 10.742 18.279
479 HB2 HIS 59 HB2 HIS 59 -8.209 13.127 18.455
480 HB3 HIS 59 HB3 HIS 59 -9.576 13.576 17.440
481 HD1 HIS 59 HD1 HIS 59 -11.406 14.502 18.813
482 HD2 HIS 59 HD2 HIS 59 -9.380 11.453 20.795
483 HE1 HIS 59 HE1 HIS 59 -12.557 14.253 21.040
484 HE2 HIS 59 HE2 HIS 59 -11.357 12.359 22.199
485 H HIS 60 H HIS 60 -10.241 12.102 15.297
486 HA HIS 60 HA HIS 60 -12.932 11.281 15.774
487 HB2 HIS 60 HB2 HIS 60 -12.272 13.049 14.137
488 HB3 HIS 60 HB3 HIS 60 -11.541 11.805 13.131
489 HD1 HIS 60 HD1 HIS 60 -14.685 13.538 13.769
490 HD2 HIS 60 HD2 HIS 60 -13.509 9.939 12.039
491 HE1 HIS 60 HE1 HIS 60 -16.652 12.765 12.403
492 HE2 HIS 60 HE2 HIS 60 -15.900 10.615 11.308
493 H HIS 61 H HIS 61 -13.511 9.232 15.977
494 HA HIS 61 HA HIS 61 -11.789 7.172 14.813
495 HB2 HIS 61 HB2 HIS 61 -12.216 7.133 17.254
496 HB3 HIS 61 HB3 HIS 61 -13.932 6.906 16.935
497 HD1 HIS 61 HD1 HIS 61 -14.393 4.577 17.648
498 HD2 HIS 61 HD2 HIS 61 -10.920 4.847 15.380
499 HE1 HIS 61 HE1 HIS 61 -13.616 2.210 17.321
500 HE2 HIS 61 HE2 HIS 61 -11.650 2.388 15.749
501 H HIS 62 H HIS 62 -12.363 6.016 13.162
502 HA HIS 62 HA HIS 62 -13.577 4.626 11.837
503 HB2 HIS 62 HB2 HIS 62 -15.037 4.483 14.067
504 HB3 HIS 62 HB3 HIS 62 -16.206 5.304 13.042
505 HD1 HIS 62 HD1 HIS 62 -15.800 2.144 14.170
506 HD2 HIS 62 HD2 HIS 62 -15.943 3.641 10.295
507 HE1 HIS 62 HE1 HIS 62 -16.442 0.195 12.717
508 HE2 HIS 62 HE2 HIS 62 -16.391 1.089 10.360
509 H HIS 63 H HIS 63 -14.169 4.994 9.819
510 HA HIS 63 HA HIS 63 -15.244 7.584 9.059
511 HB2 HIS 63 HB2 HIS 63 -14.436 5.172 7.417
512 HB3 HIS 63 HB3 HIS 63 -15.024 6.680 6.732
513 HD1 HIS 63 HD1 HIS 63 -11.987 4.994 7.281
514 HD2 HIS 63 HD2 HIS 63 -13.243 8.929 7.795
515 HE1 HIS 63 HE1 HIS 63 -9.886 6.381 7.328
516 HE2 HIS 63 HE2 HIS 63 -10.667 8.740 7.772
Start of MODEL 4
1 H1 MET 1 H1 MET 1 11.140 -11.472 -0.779
2 H2 MET 1 H2 MET 1 10.630 -13.069 -1.030
3 H3 MET 1 H3 MET 1 10.743 -12.455 0.549
4 HA MET 1 HA MET 1 8.891 -11.485 -1.544
5 HB2 MET 1 HB2 MET 1 8.377 -13.769 -0.650
6 HB3 MET 1 HB3 MET 1 8.279 -13.072 0.961
7 HG2 MET 1 HG2 MET 1 6.070 -13.359 0.058
8 HG3 MET 1 HG3 MET 1 6.429 -11.638 0.207
9 HE1 MET 1 HE1 MET 1 4.035 -12.888 -1.536
10 HE2 MET 1 HE2 MET 1 4.125 -11.877 -2.979
11 HE3 MET 1 HE3 MET 1 4.322 -11.156 -1.381
12 H GLY 2 H GLY 2 9.248 -9.332 -1.201
13 HA2 GLY 2 HA2 GLY 2 8.399 -8.324 1.447
14 HA3 GLY 2 HA3 GLY 2 9.774 -7.617 0.604
15 H GLU 3 H GLU 3 7.306 -8.787 -1.352
16 HA GLU 3 HA GLU 3 5.879 -6.267 -1.494
17 HB2 GLU 3 HB2 GLU 3 6.061 -6.278 -4.001
18 HB3 GLU 3 HB3 GLU 3 7.547 -5.883 -3.157
19 HG2 GLU 3 HG2 GLU 3 6.955 -8.644 -4.182
20 HG3 GLU 3 HG3 GLU 3 7.729 -7.409 -5.171
21 H LEU 4 H LEU 4 3.975 -7.074 -0.885
22 HA LEU 4 HA LEU 4 2.985 -9.615 -1.648
23 HB2 LEU 4 HB2 LEU 4 1.577 -7.205 -0.511
24 HB3 LEU 4 HB3 LEU 4 0.836 -8.784 -0.696
25 HG LEU 4 HG LEU 4 3.244 -8.194 1.024
26 HD11 LEU 4 HD11 LEU 4 1.195 -7.174 1.890
27 HD12 LEU 4 HD12 LEU 4 1.748 -8.506 2.905
28 HD13 LEU 4 HD13 LEU 4 0.389 -8.741 1.807
29 HD21 LEU 4 HD21 LEU 4 3.241 -10.470 0.160
30 HD22 LEU 4 HD22 LEU 4 1.582 -10.690 0.715
31 HD23 LEU 4 HD23 LEU 4 2.880 -10.457 1.886
32 H SER 5 H SER 5 0.410 -9.338 -2.449
33 HA SER 5 HA SER 5 0.795 -8.836 -5.248
34 HB2 SER 5 HB2 SER 5 -1.730 -9.592 -3.758
35 HB3 SER 5 HB3 SER 5 -1.473 -9.703 -5.501
36 HG SER 5 HG SER 5 -0.359 -11.251 -3.424
37 H TRP 6 H TRP 6 0.986 -6.707 -5.723
38 HA TRP 6 HA TRP 6 -0.922 -4.788 -4.646
39 HB2 TRP 6 HB2 TRP 6 1.571 -4.551 -6.318
40 HB3 TRP 6 HB3 TRP 6 0.470 -3.191 -6.128
41 HD1 TRP 6 HD1 TRP 6 2.605 -5.543 -3.901
42 HE1 TRP 6 HE1 TRP 6 3.317 -4.210 -1.813
43 HE3 TRP 6 HE3 TRP 6 0.075 -1.203 -4.817
44 HZ2 TRP 6 HZ2 TRP 6 2.863 -1.647 -0.710
45 HZ3 TRP 6 HZ3 TRP 6 0.270 0.643 -3.201
46 HH2 TRP 6 HH2 TRP 6 1.634 0.423 -1.194
47 H THR 7 H THR 7 -2.745 -4.296 -5.651
48 HA THR 7 HA THR 7 -3.160 -5.210 -8.382
49 HB THR 7 HB THR 7 -5.529 -4.516 -7.983
50 HG1 THR 7 HG1 THR 7 -6.123 -3.645 -6.092
51 HG21 THR 7 HG21 THR 7 -4.811 -6.816 -7.545
52 HG22 THR 7 HG22 THR 7 -6.044 -6.311 -6.391
53 HG23 THR 7 HG23 THR 7 -4.350 -6.367 -5.903
54 H ALA 8 H ALA 8 -4.676 -3.593 -9.681
55 HA ALA 8 HA ALA 8 -3.002 -1.444 -10.416
56 HB1 ALA 8 HB1 ALA 8 -4.803 -0.801 -11.939
57 HB2 ALA 8 HB2 ALA 8 -5.898 -1.915 -11.120
58 HB3 ALA 8 HB3 ALA 8 -4.502 -2.537 -12.000
59 H GLU 9 H GLU 9 -5.927 -1.629 -8.459
60 HA GLU 9 HA GLU 9 -6.501 1.088 -8.201
61 HB2 GLU 9 HB2 GLU 9 -6.822 -0.852 -5.920
62 HB3 GLU 9 HB3 GLU 9 -7.827 0.532 -6.325
63 HG2 GLU 9 HG2 GLU 9 -9.151 -1.231 -6.965
64 HG3 GLU 9 HG3 GLU 9 -8.357 -0.810 -8.482
65 H ALA 10 H ALA 10 -4.312 -0.960 -6.334
66 HA ALA 10 HA ALA 10 -3.638 1.056 -4.440
67 HB1 ALA 10 HB1 ALA 10 -1.892 -0.499 -3.719
68 HB2 ALA 10 HB2 ALA 10 -2.205 -1.506 -5.134
69 HB3 ALA 10 HB3 ALA 10 -3.449 -1.309 -3.900
70 H GLU 11 H GLU 11 -2.058 -0.220 -7.355
71 HA GLU 11 HA GLU 11 0.320 1.225 -7.204
72 HB2 GLU 11 HB2 GLU 11 -1.224 0.055 -9.487
73 HB3 GLU 11 HB3 GLU 11 0.212 1.021 -9.801
74 HG2 GLU 11 HG2 GLU 11 0.101 -1.454 -8.094
75 HG3 GLU 11 HG3 GLU 11 0.709 -1.368 -9.747
76 H LYS 12 H LYS 12 -2.808 2.164 -8.555
77 HA LYS 12 HA LYS 12 -1.952 4.549 -9.782
78 HB2 LYS 12 HB2 LYS 12 -4.658 3.791 -8.671
79 HB3 LYS 12 HB3 LYS 12 -4.357 5.230 -9.634
80 HG2 LYS 12 HG2 LYS 12 -3.932 2.391 -10.538
81 HG3 LYS 12 HG3 LYS 12 -5.294 3.425 -10.976
82 HD2 LYS 12 HD2 LYS 12 -3.763 4.985 -12.069
83 HD3 LYS 12 HD3 LYS 12 -2.391 3.975 -11.606
84 HE2 LYS 12 HE2 LYS 12 -3.303 2.135 -12.938
85 HE3 LYS 12 HE3 LYS 12 -4.672 3.145 -13.397
86 HZ1 LYS 12 HZ1 LYS 12 -3.162 4.658 -14.506
87 HZ2 LYS 12 HZ2 LYS 12 -2.974 3.090 -15.119
88 HZ3 LYS 12 HZ3 LYS 12 -1.829 3.718 -14.037
89 H MET 13 H MET 13 -3.242 3.940 -6.532
90 HA MET 13 HA MET 13 -3.119 6.715 -5.821
91 HB2 MET 13 HB2 MET 13 -3.547 4.246 -4.142
92 HB3 MET 13 HB3 MET 13 -3.595 5.884 -3.503
93 HG2 MET 13 HG2 MET 13 -5.412 6.360 -5.181
94 HG3 MET 13 HG3 MET 13 -5.456 4.626 -5.497
95 HE1 MET 13 HE1 MET 13 -4.895 3.415 -2.606
96 HE2 MET 13 HE2 MET 13 -6.141 2.813 -3.699
97 HE3 MET 13 HE3 MET 13 -6.545 3.193 -2.026
98 H LEU 14 H LEU 14 -0.967 3.991 -5.586
99 HA LEU 14 HA LEU 14 0.855 5.280 -3.775
100 HB2 LEU 14 HB2 LEU 14 0.702 2.821 -3.975
101 HB3 LEU 14 HB3 LEU 14 1.313 2.929 -5.615
102 HG LEU 14 HG LEU 14 3.427 3.904 -4.716
103 HD11 LEU 14 HD11 LEU 14 3.894 3.736 -2.340
104 HD12 LEU 14 HD12 LEU 14 2.261 3.141 -2.042
105 HD13 LEU 14 HD13 LEU 14 2.507 4.789 -2.621
106 HD21 LEU 14 HD21 LEU 14 3.242 1.520 -5.238
107 HD22 LEU 14 HD22 LEU 14 2.675 1.207 -3.597
108 HD23 LEU 14 HD23 LEU 14 4.313 1.805 -3.866
109 H GLY 15 H GLY 15 0.376 5.161 -7.220
110 HA2 GLY 15 HA2 GLY 15 2.909 6.137 -8.025
111 HA3 GLY 15 HA3 GLY 15 1.422 6.243 -8.955
112 H LYS 16 H LYS 16 0.047 7.702 -6.805
113 HA LYS 16 HA LYS 16 0.678 10.361 -7.522
114 HB2 LYS 16 HB2 LYS 16 -0.912 9.338 -5.157
115 HB3 LYS 16 HB3 LYS 16 -0.918 10.993 -5.749
116 HG2 LYS 16 HG2 LYS 16 -1.867 10.239 -7.868
117 HG3 LYS 16 HG3 LYS 16 -1.863 8.577 -7.273
118 HD2 LYS 16 HD2 LYS 16 -3.398 9.211 -5.479
119 HD3 LYS 16 HD3 LYS 16 -3.390 10.880 -6.055
120 HE2 LYS 16 HE2 LYS 16 -4.290 10.090 -8.219
121 HE3 LYS 16 HE3 LYS 16 -4.388 8.461 -7.551
122 HZ1 LYS 16 HZ1 LYS 16 -5.990 9.200 -5.950
123 HZ2 LYS 16 HZ2 LYS 16 -6.505 9.702 -7.486
124 HZ3 LYS 16 HZ3 LYS 16 -5.798 10.821 -6.420
125 H VAL 17 H VAL 17 1.662 8.281 -4.919
126 HA VAL 17 HA VAL 17 2.874 10.306 -3.309
127 HB VAL 17 HB VAL 17 3.338 7.319 -3.327
128 HG11 VAL 17 HG11 VAL 17 5.140 8.515 -2.212
129 HG12 VAL 17 HG12 VAL 17 4.163 7.626 -1.043
130 HG13 VAL 17 HG13 VAL 17 3.967 9.371 -1.212
131 HG21 VAL 17 HG21 VAL 17 1.001 7.860 -2.922
132 HG22 VAL 17 HG22 VAL 17 1.470 8.971 -1.637
133 HG23 VAL 17 HG23 VAL 17 1.765 7.243 -1.455
134 HA PRO 18 HA PRO 18 6.421 11.070 -5.871
135 HB2 PRO 18 HB2 PRO 18 8.059 11.773 -3.690
136 HB3 PRO 18 HB3 PRO 18 7.100 12.871 -4.682
137 HG2 PRO 18 HG2 PRO 18 6.499 11.712 -2.019
138 HG3 PRO 18 HG3 PRO 18 6.026 13.278 -2.704
139 HD2 PRO 18 HD2 PRO 18 4.280 11.242 -2.456
140 HD3 PRO 18 HD3 PRO 18 4.204 12.380 -3.815
141 H PHE 19 H PHE 19 7.943 9.735 -6.609
142 HA PHE 19 HA PHE 19 8.217 7.165 -5.559
143 HB2 PHE 19 HB2 PHE 19 9.951 6.817 -7.270
144 HB3 PHE 19 HB3 PHE 19 8.517 7.595 -7.921
145 HD1 PHE 19 HD2 PHE 19 8.571 10.015 -8.468
146 HD2 PHE 19 HD1 PHE 19 12.074 7.870 -7.349
147 HE1 PHE 19 HE2 PHE 19 9.961 11.802 -9.419
148 HE2 PHE 19 HE1 PHE 19 13.473 9.658 -8.302
149 HZ PHE 19 HZ PHE 19 12.417 11.625 -9.337
150 H PHE 20 H PHE 20 9.772 9.986 -4.583
151 HA PHE 20 HA PHE 20 12.255 8.984 -3.679
152 HB2 PHE 20 HB2 PHE 20 10.649 11.184 -2.370
153 HB3 PHE 20 HB3 PHE 20 12.395 10.976 -2.354
154 HD1 PHE 20 HD2 PHE 20 13.588 11.112 -4.643
155 HD2 PHE 20 HD1 PHE 20 9.670 12.591 -3.912
156 HE1 PHE 20 HE2 PHE 20 13.780 12.585 -6.602
157 HE2 PHE 20 HE1 PHE 20 9.852 14.064 -5.874
158 HZ PHE 20 HZ PHE 20 11.913 14.060 -7.220
159 H VAL 21 H VAL 21 9.055 9.208 -2.196
160 HA VAL 21 HA VAL 21 10.046 7.627 0.082
161 HB VAL 21 HB VAL 21 8.123 8.473 1.361
162 HG11 VAL 21 HG11 VAL 21 10.230 9.631 1.550
163 HG12 VAL 21 HG12 VAL 21 8.907 10.798 1.602
164 HG13 VAL 21 HG13 VAL 21 9.859 10.605 0.128
165 HG21 VAL 21 HG21 VAL 21 7.597 10.191 -1.068
166 HG22 VAL 21 HG22 VAL 21 6.776 10.327 0.488
167 HG23 VAL 21 HG23 VAL 21 6.580 8.872 -0.489
168 H ARG 22 H ARG 22 8.328 7.402 -2.721
169 HA ARG 22 HA ARG 22 6.121 5.817 -2.124
170 HB2 ARG 22 HB2 ARG 22 6.778 6.790 -4.378
171 HB3 ARG 22 HB3 ARG 22 7.904 5.450 -4.537
172 HG2 ARG 22 HG2 ARG 22 6.010 3.882 -4.344
173 HG3 ARG 22 HG3 ARG 22 4.910 5.262 -4.294
174 HD2 ARG 22 HD2 ARG 22 5.880 5.968 -6.509
175 HD3 ARG 22 HD3 ARG 22 6.707 4.412 -6.558
176 HE ARG 22 HE ARG 22 3.783 4.785 -6.573
177 HH11 ARG 22 HH11 ARG 22 6.637 2.891 -7.316
178 HH12 ARG 22 HH12 ARG 22 5.749 1.646 -8.154
179 HH21 ARG 22 HH21 ARG 22 2.610 3.156 -7.687
180 HH22 ARG 22 HH22 ARG 22 3.449 1.791 -8.357
181 H LYS 23 H LYS 23 9.509 5.018 -2.483
182 HA LYS 23 HA LYS 23 9.343 2.220 -2.362
183 HB2 LYS 23 HB2 LYS 23 11.563 3.983 -1.309
184 HB3 LYS 23 HB3 LYS 23 11.694 2.290 -1.767
185 HG2 LYS 23 HG2 LYS 23 11.311 2.824 -4.079
186 HG3 LYS 23 HG3 LYS 23 10.977 4.508 -3.672
187 HD2 LYS 23 HD2 LYS 23 13.218 4.321 -4.551
188 HD3 LYS 23 HD3 LYS 23 13.296 4.728 -2.838
189 HE2 LYS 23 HE2 LYS 23 14.944 3.041 -3.340
190 HE3 LYS 23 HE3 LYS 23 13.684 2.348 -2.321
191 HZ1 LYS 23 HZ1 LYS 23 13.984 1.996 -5.255
192 HZ2 LYS 23 HZ2 LYS 23 12.672 1.419 -4.352
193 HZ3 LYS 23 HZ3 LYS 23 14.231 0.822 -4.060
194 H LYS 24 H LYS 24 9.532 4.688 0.155
195 HA LYS 24 HA LYS 24 9.807 2.931 2.361
196 HB2 LYS 24 HB2 LYS 24 10.361 5.325 2.494
197 HB3 LYS 24 HB3 LYS 24 8.672 5.738 2.239
198 HG2 LYS 24 HG2 LYS 24 8.214 4.375 4.358
199 HG3 LYS 24 HG3 LYS 24 9.952 4.478 4.636
200 HD2 LYS 24 HD2 LYS 24 8.054 6.802 4.321
201 HD3 LYS 24 HD3 LYS 24 8.778 6.245 5.828
202 HE2 LYS 24 HE2 LYS 24 11.006 6.753 4.922
203 HE3 LYS 24 HE3 LYS 24 10.258 7.357 3.445
204 HZ1 LYS 24 HZ1 LYS 24 9.816 8.467 6.166
205 HZ2 LYS 24 HZ2 LYS 24 9.161 9.071 4.723
206 HZ3 LYS 24 HZ3 LYS 24 10.834 9.138 4.986
207 H VAL 25 H VAL 25 7.009 4.675 1.030
208 HA VAL 25 HA VAL 25 5.104 3.713 2.841
209 HB VAL 25 HB VAL 25 4.636 4.539 -0.033
210 HG11 VAL 25 HG11 VAL 25 2.749 4.432 2.319
211 HG12 VAL 25 HG12 VAL 25 2.731 3.363 0.916
212 HG13 VAL 25 HG13 VAL 25 2.367 5.078 0.723
213 HG21 VAL 25 HG21 VAL 25 4.140 6.755 0.902
214 HG22 VAL 25 HG22 VAL 25 5.813 6.272 1.184
215 HG23 VAL 25 HG23 VAL 25 4.635 6.183 2.495
216 H ARG 26 H ARG 26 6.162 2.468 -0.288
217 HA ARG 26 HA ARG 26 4.264 0.463 -0.641
218 HB2 ARG 26 HB2 ARG 26 5.877 1.227 -2.355
219 HB3 ARG 26 HB3 ARG 26 7.168 0.420 -1.475
220 HG2 ARG 26 HG2 ARG 26 6.204 -1.727 -1.910
221 HG3 ARG 26 HG3 ARG 26 4.765 -0.989 -2.619
222 HD2 ARG 26 HD2 ARG 26 6.243 0.037 -4.353
223 HD3 ARG 26 HD3 ARG 26 7.582 -0.901 -3.693
224 HE ARG 26 HE ARG 26 6.703 -2.815 -4.641
225 HH11 ARG 26 HH11 ARG 26 4.448 -0.159 -4.959
226 HH12 ARG 26 HH12 ARG 26 3.426 -0.977 -6.106
227 HH21 ARG 26 HH21 ARG 26 5.367 -3.903 -6.143
228 HH22 ARG 26 HH22 ARG 26 3.948 -3.118 -6.761
229 H LYS 27 H LYS 27 7.369 0.365 1.059
230 HA LYS 27 HA LYS 27 7.173 -2.391 1.739
231 HB2 LYS 27 HB2 LYS 27 9.331 -1.276 1.643
232 HB3 LYS 27 HB3 LYS 27 8.852 -0.181 2.932
233 HG2 LYS 27 HG2 LYS 27 8.829 -1.951 4.528
234 HG3 LYS 27 HG3 LYS 27 9.053 -3.163 3.263
235 HD2 LYS 27 HD2 LYS 27 11.034 -0.994 3.951
236 HD3 LYS 27 HD3 LYS 27 11.130 -2.664 4.513
237 HE2 LYS 27 HE2 LYS 27 11.234 -3.418 2.167
238 HE3 LYS 27 HE3 LYS 27 11.206 -1.734 1.644
239 HZ1 LYS 27 HZ1 LYS 27 13.452 -2.710 1.716
240 HZ2 LYS 27 HZ2 LYS 27 13.296 -2.907 3.395
241 HZ3 LYS 27 HZ3 LYS 27 13.288 -1.350 2.718
242 H ASN 28 H ASN 28 6.204 0.603 3.309
243 HA ASN 28 HA ASN 28 5.635 -0.475 5.850
244 HB2 ASN 28 HB2 ASN 28 4.453 1.917 4.425
245 HB3 ASN 28 HB3 ASN 28 4.102 1.511 6.101
246 HD21 ASN 28 HD21 ASN 28 5.310 3.905 5.109
247 HD22 ASN 28 HD22 ASN 28 6.882 4.007 5.814
248 H THR 29 H THR 29 3.680 -0.159 2.923
249 HA THR 29 HA THR 29 1.289 -1.151 4.070
250 HB THR 29 HB THR 29 1.019 -1.815 1.475
251 HG1 THR 29 HG1 THR 29 3.135 -1.122 0.955
252 HG21 THR 29 HG21 THR 29 0.755 0.941 2.670
253 HG22 THR 29 HG22 THR 29 -0.460 -0.339 2.699
254 HG23 THR 29 HG23 THR 29 0.003 0.404 1.168
255 H ASP 30 H ASP 30 4.052 -2.730 2.537
256 HA ASP 30 HA ASP 30 2.957 -5.295 2.232
257 HB2 ASP 30 HB2 ASP 30 5.119 -4.789 1.279
258 HB3 ASP 30 HB3 ASP 30 5.789 -4.439 2.870
259 H ASN 31 H ASN 31 4.630 -3.792 4.944
260 HA ASN 31 HA ASN 31 4.323 -6.000 6.699
261 HB2 ASN 31 HB2 ASN 31 4.950 -3.089 7.184
262 HB3 ASN 31 HB3 ASN 31 4.845 -4.268 8.489
263 HD21 ASN 31 HD21 ASN 31 6.672 -3.176 5.743
264 HD22 ASN 31 HD22 ASN 31 8.086 -4.118 6.066
265 H TYR 32 H TYR 32 2.290 -3.267 5.856
266 HA TYR 32 HA TYR 32 0.604 -3.479 8.162
267 HB2 TYR 32 HB2 TYR 32 0.744 -1.363 6.936
268 HB3 TYR 32 HB3 TYR 32 0.074 -2.135 5.500
269 HD1 TYR 32 HD1 TYR 32 -0.730 -1.461 9.073
270 HD2 TYR 32 HD2 TYR 32 -2.230 -2.075 5.138
271 HE1 TYR 32 HE1 TYR 32 -2.995 -0.930 9.861
272 HE2 TYR 32 HE2 TYR 32 -4.506 -1.542 5.916
273 HH TYR 32 HH TYR 32 -5.766 -1.574 8.074
274 H ALA 33 H ALA 33 0.323 -4.518 4.780
275 HA ALA 33 HA ALA 33 -2.215 -5.713 5.031
276 HB1 ALA 33 HB1 ALA 33 0.017 -6.391 3.114
277 HB2 ALA 33 HB2 ALA 33 -1.233 -5.172 2.865
278 HB3 ALA 33 HB3 ALA 33 -1.670 -6.878 2.947
279 H ARG 34 H ARG 34 1.066 -7.031 5.338
280 HA ARG 34 HA ARG 34 0.338 -9.665 5.967
281 HB2 ARG 34 HB2 ARG 34 2.746 -7.972 6.353
282 HB3 ARG 34 HB3 ARG 34 2.627 -9.425 7.337
283 HG2 ARG 34 HG2 ARG 34 2.557 -10.819 5.437
284 HG3 ARG 34 HG3 ARG 34 2.314 -9.448 4.353
285 HD2 ARG 34 HD2 ARG 34 4.515 -8.730 4.565
286 HD3 ARG 34 HD3 ARG 34 4.760 -9.618 6.067
287 HE ARG 34 HE ARG 34 4.443 -11.650 4.427
288 HH11 ARG 34 HH11 ARG 34 6.107 -8.642 3.687
289 HH12 ARG 34 HH12 ARG 34 7.354 -9.428 2.769
290 HH21 ARG 34 HH21 ARG 34 6.097 -12.664 3.203
291 HH22 ARG 34 HH22 ARG 34 7.359 -11.688 2.508
292 H GLU 35 H GLU 35 0.591 -6.779 7.950
293 HA GLU 35 HA GLU 35 0.459 -8.029 10.462
294 HB2 GLU 35 HB2 GLU 35 1.192 -5.691 10.081
295 HB3 GLU 35 HB3 GLU 35 -0.465 -5.253 9.694
296 HG2 GLU 35 HG2 GLU 35 -1.157 -5.809 11.957
297 HG3 GLU 35 HG3 GLU 35 0.487 -6.311 12.349
298 H ILE 36 H ILE 36 -2.024 -7.049 8.186
299 HA ILE 36 HA ILE 36 -4.105 -7.760 10.125
300 HB ILE 36 HB ILE 36 -5.702 -6.755 8.533
301 HG12 ILE 36 HG12 ILE 36 -3.217 -5.997 6.975
302 HG13 ILE 36 HG13 ILE 36 -4.431 -7.163 6.459
303 HG21 ILE 36 HG21 ILE 36 -4.777 -5.414 10.330
304 HG22 ILE 36 HG22 ILE 36 -4.999 -4.424 8.888
305 HG23 ILE 36 HG23 ILE 36 -3.389 -4.990 9.327
306 HD11 ILE 36 HD11 ILE 36 -4.715 -5.022 5.342
307 HD12 ILE 36 HD12 ILE 36 -4.894 -4.222 6.903
308 HD13 ILE 36 HD13 ILE 36 -6.101 -5.391 6.368
309 H GLY 37 H GLY 37 -2.356 -9.298 7.810
310 HA2 GLY 37 HA2 GLY 37 -2.607 -11.533 7.204
311 HA3 GLY 37 HA3 GLY 37 -4.259 -11.480 7.792
312 H GLU 38 H GLU 38 -2.919 -9.232 5.458
313 HA GLU 38 HA GLU 38 -4.666 -10.391 3.382
314 HB2 GLU 38 HB2 GLU 38 -3.622 -7.572 3.728
315 HB3 GLU 38 HB3 GLU 38 -4.505 -8.125 2.315
316 HG2 GLU 38 HG2 GLU 38 -5.607 -8.162 5.111
317 HG3 GLU 38 HG3 GLU 38 -5.859 -6.852 3.960
318 HA PRO 39 HA PRO 39 -0.663 -11.177 1.408
319 HB2 PRO 39 HB2 PRO 39 -1.574 -12.954 -0.399
320 HB3 PRO 39 HB3 PRO 39 -1.307 -13.394 1.292
321 HG2 PRO 39 HG2 PRO 39 -3.861 -12.741 -0.116
322 HG3 PRO 39 HG3 PRO 39 -3.535 -13.998 1.091
323 HD2 PRO 39 HD2 PRO 39 -4.725 -11.585 1.658
324 HD3 PRO 39 HD3 PRO 39 -3.834 -12.559 2.841
325 H VAL 40 H VAL 40 -3.528 -9.752 0.374
326 HA VAL 40 HA VAL 40 -2.294 -8.848 -2.145
327 HB VAL 40 HB VAL 40 -5.257 -9.118 -1.591
328 HG11 VAL 40 HG11 VAL 40 -5.500 -8.692 -4.000
329 HG12 VAL 40 HG12 VAL 40 -3.758 -8.435 -4.116
330 HG13 VAL 40 HG13 VAL 40 -4.748 -7.337 -3.157
331 HG21 VAL 40 HG21 VAL 40 -3.449 -10.859 -3.264
332 HG22 VAL 40 HG22 VAL 40 -5.207 -10.977 -3.202
333 HG23 VAL 40 HG23 VAL 40 -4.250 -11.319 -1.761
334 H VAL 41 H VAL 41 -1.990 -6.718 -2.317
335 HA VAL 41 HA VAL 41 -3.111 -4.989 -0.235
336 HB VAL 41 HB VAL 41 -0.939 -4.373 -2.254
337 HG11 VAL 41 HG11 VAL 41 -2.185 -2.396 -1.462
338 HG12 VAL 41 HG12 VAL 41 -0.505 -2.394 -0.922
339 HG13 VAL 41 HG13 VAL 41 -1.791 -2.836 0.201
340 HG21 VAL 41 HG21 VAL 41 0.613 -4.567 -0.360
341 HG22 VAL 41 HG22 VAL 41 -0.216 -6.091 -0.685
342 HG23 VAL 41 HG23 VAL 41 -0.723 -5.083 0.670
343 H THR 42 H THR 42 -5.153 -4.578 -0.914
344 HA THR 42 HA THR 42 -5.612 -3.657 -3.644
345 HB THR 42 HB THR 42 -8.042 -3.656 -2.857
346 HG1 THR 42 HG1 THR 42 -7.368 -5.439 -0.829
347 HG21 THR 42 HG21 THR 42 -7.118 -5.440 -4.238
348 HG22 THR 42 HG22 THR 42 -8.237 -6.097 -3.045
349 HG23 THR 42 HG23 THR 42 -6.496 -6.248 -2.801
350 H ALA 43 H ALA 43 -7.477 -1.846 -3.621
351 HA ALA 43 HA ALA 43 -6.313 0.522 -2.622
352 HB1 ALA 43 HB1 ALA 43 -8.354 1.638 -3.350
353 HB2 ALA 43 HB2 ALA 43 -9.154 0.077 -3.537
354 HB3 ALA 43 HB3 ALA 43 -7.793 0.500 -4.577
355 H ASP 44 H ASP 44 -8.754 -1.662 -1.386
356 HA ASP 44 HA ASP 44 -9.685 -0.150 0.786
357 HB2 ASP 44 HB2 ASP 44 -10.729 -2.277 0.123
358 HB3 ASP 44 HB3 ASP 44 -9.278 -3.150 0.611
359 H VAL 45 H VAL 45 -7.035 -2.498 0.606
360 HA VAL 45 HA VAL 45 -6.171 -2.177 3.270
361 HB VAL 45 HB VAL 45 -4.563 -3.098 0.877
362 HG11 VAL 45 HG11 VAL 45 -3.174 -4.261 2.554
363 HG12 VAL 45 HG12 VAL 45 -4.089 -3.465 3.835
364 HG13 VAL 45 HG13 VAL 45 -3.112 -2.506 2.724
365 HG21 VAL 45 HG21 VAL 45 -5.150 -5.351 1.577
366 HG22 VAL 45 HG22 VAL 45 -6.601 -4.413 1.222
367 HG23 VAL 45 HG23 VAL 45 -6.125 -4.704 2.896
368 H PHE 46 H PHE 46 -5.116 -0.656 0.238
369 HA PHE 46 HA PHE 46 -2.905 0.686 1.388
370 HB2 PHE 46 HB2 PHE 46 -3.212 0.191 -1.051
371 HB3 PHE 46 HB3 PHE 46 -4.398 1.492 -1.113
372 HD1 PHE 46 HD1 PHE 46 -1.045 1.171 0.495
373 HD2 PHE 46 HD2 PHE 46 -3.522 3.291 -2.236
374 HE1 PHE 46 HE1 PHE 46 0.770 2.787 0.114
375 HE2 PHE 46 HE2 PHE 46 -1.712 4.909 -2.621
376 HZ PHE 46 HZ PHE 46 0.436 4.663 -1.445
377 H ARG 47 H ARG 47 -6.259 1.670 0.828
378 HA ARG 47 HA ARG 47 -5.890 4.350 1.730
379 HB2 ARG 47 HB2 ARG 47 -7.816 3.733 0.345
380 HB3 ARG 47 HB3 ARG 47 -8.397 2.658 1.610
381 HG2 ARG 47 HG2 ARG 47 -8.736 4.564 3.089
382 HG3 ARG 47 HG3 ARG 47 -8.129 5.648 1.837
383 HD2 ARG 47 HD2 ARG 47 -9.970 5.062 0.385
384 HD3 ARG 47 HD3 ARG 47 -10.548 3.870 1.549
385 HE ARG 47 HE ARG 47 -10.600 6.095 3.022
386 HH11 ARG 47 HH11 ARG 47 -11.762 5.500 -0.246
387 HH12 ARG 47 HH12 ARG 47 -13.049 6.672 -0.119
388 HH21 ARG 47 HH21 ARG 47 -12.303 7.635 3.159
389 HH22 ARG 47 HH22 ARG 47 -13.336 7.872 1.778
390 H LYS 48 H LYS 48 -6.811 1.316 3.239
391 HA LYS 48 HA LYS 48 -7.446 2.338 5.794
392 HB2 LYS 48 HB2 LYS 48 -7.877 0.011 4.702
393 HB3 LYS 48 HB3 LYS 48 -6.291 -0.390 5.330
394 HG2 LYS 48 HG2 LYS 48 -6.981 -0.319 7.520
395 HG3 LYS 48 HG3 LYS 48 -8.349 0.743 7.166
396 HD2 LYS 48 HD2 LYS 48 -8.137 -2.117 6.225
397 HD3 LYS 48 HD3 LYS 48 -8.992 -1.616 7.686
398 HE2 LYS 48 HE2 LYS 48 -10.551 -0.327 6.438
399 HE3 LYS 48 HE3 LYS 48 -9.599 -0.486 4.964
400 HZ1 LYS 48 HZ1 LYS 48 -10.242 -2.685 4.694
401 HZ2 LYS 48 HZ2 LYS 48 -11.663 -1.930 5.229
402 HZ3 LYS 48 HZ3 LYS 48 -10.740 -2.860 6.309
403 H ALA 49 H ALA 49 -4.462 1.343 4.259
404 HA ALA 49 HA ALA 49 -2.799 1.334 6.533
405 HB1 ALA 49 HB1 ALA 49 -0.949 1.504 4.946
406 HB2 ALA 49 HB2 ALA 49 -2.086 1.908 3.659
407 HB3 ALA 49 HB3 ALA 49 -2.140 0.315 4.413
408 H LYS 50 H LYS 50 -3.518 3.875 4.140
409 HA LYS 50 HA LYS 50 -1.854 5.848 5.258
410 HB2 LYS 50 HB2 LYS 50 -4.393 6.133 3.641
411 HB3 LYS 50 HB3 LYS 50 -3.321 7.469 4.040
412 HG2 LYS 50 HG2 LYS 50 -1.494 6.304 2.851
413 HG3 LYS 50 HG3 LYS 50 -2.648 5.058 2.372
414 HD2 LYS 50 HD2 LYS 50 -3.975 6.712 1.182
415 HD3 LYS 50 HD3 LYS 50 -2.879 7.992 1.707
416 HE2 LYS 50 HE2 LYS 50 -1.040 6.868 0.510
417 HE3 LYS 50 HE3 LYS 50 -2.181 5.655 -0.063
418 HZ1 LYS 50 HZ1 LYS 50 -1.798 7.349 -1.732
419 HZ2 LYS 50 HZ2 LYS 50 -2.291 8.566 -0.660
420 HZ3 LYS 50 HZ3 LYS 50 -3.404 7.410 -1.201
421 H GLU 51 H GLU 51 -5.164 4.906 5.922
422 HA GLU 51 HA GLU 51 -5.807 6.941 7.764
423 HB2 GLU 51 HB2 GLU 51 -7.537 5.547 6.831
424 HB3 GLU 51 HB3 GLU 51 -6.782 4.096 7.472
425 HG2 GLU 51 HG2 GLU 51 -7.232 4.934 9.760
426 HG3 GLU 51 HG3 GLU 51 -8.111 6.287 9.046
427 H HIS 52 H HIS 52 -4.300 3.778 8.119
428 HA HIS 52 HA HIS 52 -4.203 3.839 10.969
429 HB2 HIS 52 HB2 HIS 52 -4.223 1.762 9.585
430 HB3 HIS 52 HB3 HIS 52 -2.592 2.144 9.055
431 HD1 HIS 52 HD1 HIS 52 -4.528 1.094 12.105
432 HD2 HIS 52 HD2 HIS 52 -0.582 1.417 10.818
433 HE1 HIS 52 HE1 HIS 52 -3.148 -0.119 13.824
434 HE2 HIS 52 HE2 HIS 52 -0.787 -0.055 12.936
435 H LEU 53 H LEU 53 -2.007 4.765 8.396
436 HA LEU 53 HA LEU 53 0.252 5.143 10.119
437 HB2 LEU 53 HB2 LEU 53 -0.283 6.085 7.304
438 HB3 LEU 53 HB3 LEU 53 1.246 6.287 8.138
439 HG LEU 53 HG LEU 53 -0.033 3.645 7.431
440 HD11 LEU 53 HD11 LEU 53 2.375 5.051 6.283
441 HD12 LEU 53 HD12 LEU 53 0.825 4.813 5.476
442 HD13 LEU 53 HD13 LEU 53 1.837 3.424 5.869
443 HD21 LEU 53 HD21 LEU 53 2.084 2.665 8.190
444 HD22 LEU 53 HD22 LEU 53 1.241 3.494 9.500
445 HD23 LEU 53 HD23 LEU 53 2.625 4.259 8.719
446 H GLY 54 H GLY 54 -1.906 7.416 8.384
447 HA2 GLY 54 HA2 GLY 54 -2.729 9.142 10.121
448 HA3 GLY 54 HA3 GLY 54 -1.018 9.510 10.249
449 H GLY 55 H GLY 55 -3.537 9.174 7.743
450 HA2 GLY 55 HA2 GLY 55 -2.300 11.265 6.153
451 HA3 GLY 55 HA3 GLY 55 -3.784 10.401 5.768
452 H LEU 56 H LEU 56 -2.623 13.369 6.561
453 HA LEU 56 HA LEU 56 -4.635 14.041 8.526
454 HB2 LEU 56 HB2 LEU 56 -2.325 14.875 8.748
455 HB3 LEU 56 HB3 LEU 56 -2.540 15.816 7.284
456 HG LEU 56 HG LEU 56 -4.295 17.139 8.373
457 HD11 LEU 56 HD11 LEU 56 -5.169 15.453 9.890
458 HD12 LEU 56 HD12 LEU 56 -4.700 16.903 10.780
459 HD13 LEU 56 HD13 LEU 56 -3.665 15.475 10.809
460 HD21 LEU 56 HD21 LEU 56 -1.739 16.970 9.965
461 HD22 LEU 56 HD22 LEU 56 -2.873 18.322 9.982
462 HD23 LEU 56 HD23 LEU 56 -1.999 17.921 8.503
463 H GLU 57 H GLU 57 -6.428 13.650 7.098
464 HA GLU 57 HA GLU 57 -8.354 14.597 6.421
465 HB2 GLU 57 HB2 GLU 57 -6.781 17.105 6.891
466 HB3 GLU 57 HB3 GLU 57 -8.443 17.143 6.316
467 HG2 GLU 57 HG2 GLU 57 -7.519 15.820 8.860
468 HG3 GLU 57 HG3 GLU 57 -8.275 17.411 8.752
469 H HIS 58 H HIS 58 -9.456 15.060 4.650
470 HA HIS 58 HA HIS 58 -8.662 16.565 2.442
471 HB2 HIS 58 HB2 HIS 58 -7.125 14.474 2.226
472 HB3 HIS 58 HB3 HIS 58 -8.595 13.628 1.754
473 HD1 HIS 58 HD1 HIS 58 -9.590 14.192 -0.580
474 HD2 HIS 58 HD2 HIS 58 -6.136 16.311 0.347
475 HE1 HIS 58 HE1 HIS 58 -8.849 15.251 -2.734
476 HE2 HIS 58 HE2 HIS 58 -6.820 16.615 -2.132
477 H HIS 59 H HIS 59 -10.880 16.207 4.140
478 HA HIS 59 HA HIS 59 -12.810 14.490 2.842
479 HB2 HIS 59 HB2 HIS 59 -12.885 16.242 5.280
480 HB3 HIS 59 HB3 HIS 59 -14.354 15.533 4.622
481 HD1 HIS 59 HD1 HIS 59 -14.833 13.148 5.167
482 HD2 HIS 59 HD2 HIS 59 -11.001 14.320 6.281
483 HE1 HIS 59 HE1 HIS 59 -13.918 11.251 6.548
484 HE2 HIS 59 HE2 HIS 59 -11.729 12.126 7.439
485 H HIS 60 H HIS 60 -13.135 15.401 0.817
486 HA HIS 60 HA HIS 60 -14.947 17.716 0.965
487 HB2 HIS 60 HB2 HIS 60 -12.870 17.016 -1.038
488 HB3 HIS 60 HB3 HIS 60 -14.387 17.657 -1.666
489 HD1 HIS 60 HD1 HIS 60 -14.316 20.084 -1.966
490 HD2 HIS 60 HD2 HIS 60 -11.929 18.873 1.214
491 HE1 HIS 60 HE1 HIS 60 -13.318 22.192 -1.028
492 HE2 HIS 60 HE2 HIS 60 -12.034 21.451 1.011
493 H HIS 61 H HIS 61 -14.922 14.565 0.972
494 HA HIS 61 HA HIS 61 -17.611 14.302 0.220
495 HB2 HIS 61 HB2 HIS 61 -17.489 12.872 -1.708
496 HB3 HIS 61 HB3 HIS 61 -16.591 14.336 -2.083
497 HD1 HIS 61 HD1 HIS 61 -16.157 10.657 -1.513
498 HD2 HIS 61 HD2 HIS 61 -13.829 13.968 -2.480
499 HE1 HIS 61 HE1 HIS 61 -13.949 9.734 -2.271
500 HE2 HIS 61 HE2 HIS 61 -12.640 11.737 -3.047
501 H HIS 62 H HIS 62 -18.425 12.612 1.355
502 HA HIS 62 HA HIS 62 -16.725 10.783 2.718
503 HB2 HIS 62 HB2 HIS 62 -18.869 9.511 3.164
504 HB3 HIS 62 HB3 HIS 62 -18.838 11.173 3.729
505 HD1 HIS 62 HD1 HIS 62 -21.285 11.682 3.668
506 HD2 HIS 62 HD2 HIS 62 -19.915 10.102 0.070
507 HE1 HIS 62 HE1 HIS 62 -23.200 11.903 2.052
508 HE2 HIS 62 HE2 HIS 62 -22.332 11.015 -0.137
509 H HIS 63 H HIS 63 -16.655 8.456 2.384
510 HA HIS 63 HA HIS 63 -16.091 6.670 1.117
511 HB2 HIS 63 HB2 HIS 63 -18.479 6.516 0.713
512 HB3 HIS 63 HB3 HIS 63 -18.367 7.681 -0.601
513 HD1 HIS 63 HD1 HIS 63 -16.919 4.268 0.258
514 HD2 HIS 63 HD2 HIS 63 -18.155 6.502 -3.026
515 HE1 HIS 63 HE1 HIS 63 -16.671 2.748 -1.731
516 HE2 HIS 63 HE2 HIS 63 -17.184 4.209 -3.722
Start of MODEL 5
1 H1 MET 1 H1 MET 1 12.740 -14.572 -2.976
2 H2 MET 1 H2 MET 1 12.270 -14.323 -1.362
3 H3 MET 1 H3 MET 1 12.397 -13.010 -2.421
4 HA MET 1 HA MET 1 10.553 -13.676 -3.678
5 HB2 MET 1 HB2 MET 1 11.061 -16.106 -3.596
6 HB3 MET 1 HB3 MET 1 10.489 -16.149 -1.934
7 HG2 MET 1 HG2 MET 1 8.258 -15.619 -2.624
8 HG3 MET 1 HG3 MET 1 8.787 -15.353 -4.286
9 HE1 MET 1 HE1 MET 1 6.655 -18.619 -4.597
10 HE2 MET 1 HE2 MET 1 6.924 -16.990 -5.220
11 HE3 MET 1 HE3 MET 1 6.339 -17.219 -3.572
12 H GLY 2 H GLY 2 9.787 -11.813 -2.702
13 HA2 GLY 2 HA2 GLY 2 7.947 -12.231 -0.502
14 HA3 GLY 2 HA3 GLY 2 9.316 -11.194 -0.131
15 H GLU 3 H GLU 3 7.059 -11.589 -2.835
16 HA GLU 3 HA GLU 3 6.542 -8.696 -2.715
17 HB2 GLU 3 HB2 GLU 3 7.123 -10.484 -4.970
18 HB3 GLU 3 HB3 GLU 3 5.700 -9.482 -5.217
19 HG2 GLU 3 HG2 GLU 3 8.408 -8.428 -4.438
20 HG3 GLU 3 HG3 GLU 3 7.797 -8.498 -6.092
21 H LEU 4 H LEU 4 4.624 -8.286 -1.890
22 HA LEU 4 HA LEU 4 2.573 -10.256 -1.696
23 HB2 LEU 4 HB2 LEU 4 2.493 -7.282 -1.187
24 HB3 LEU 4 HB3 LEU 4 1.200 -8.398 -0.795
25 HG LEU 4 HG LEU 4 3.967 -8.414 0.413
26 HD11 LEU 4 HD11 LEU 4 2.811 -7.732 2.457
27 HD12 LEU 4 HD12 LEU 4 1.292 -7.646 1.564
28 HD13 LEU 4 HD13 LEU 4 2.611 -6.543 1.168
29 HD21 LEU 4 HD21 LEU 4 1.555 -10.129 0.996
30 HD22 LEU 4 HD22 LEU 4 3.052 -10.110 1.928
31 HD23 LEU 4 HD23 LEU 4 3.063 -10.666 0.254
32 H SER 5 H SER 5 0.376 -9.951 -2.545
33 HA SER 5 HA SER 5 0.529 -9.447 -5.368
34 HB2 SER 5 HB2 SER 5 -1.888 -10.191 -3.707
35 HB3 SER 5 HB3 SER 5 -1.715 -10.355 -5.455
36 HG SER 5 HG SER 5 -0.476 -12.079 -5.195
37 H TRP 6 H TRP 6 0.659 -7.361 -5.878
38 HA TRP 6 HA TRP 6 -1.156 -5.447 -4.619
39 HB2 TRP 6 HB2 TRP 6 1.389 -5.214 -6.174
40 HB3 TRP 6 HB3 TRP 6 0.277 -3.849 -6.144
41 HD1 TRP 6 HD1 TRP 6 1.914 -6.175 -3.474
42 HE1 TRP 6 HE1 TRP 6 2.554 -4.698 -1.458
43 HE3 TRP 6 HE3 TRP 6 0.204 -1.677 -5.190
44 HZ2 TRP 6 HZ2 TRP 6 2.362 -1.972 -0.706
45 HZ3 TRP 6 HZ3 TRP 6 0.480 0.317 -3.774
46 HH2 TRP 6 HH2 TRP 6 1.538 0.170 -1.578
47 H THR 7 H THR 7 -2.891 -4.660 -5.630
48 HA THR 7 HA THR 7 -3.374 -5.488 -8.373
49 HB THR 7 HB THR 7 -5.639 -4.537 -8.030
50 HG1 THR 7 HG1 THR 7 -6.178 -3.540 -6.194
51 HG21 THR 7 HG21 THR 7 -5.179 -6.891 -7.492
52 HG22 THR 7 HG22 THR 7 -6.416 -6.209 -6.437
53 HG23 THR 7 HG23 THR 7 -4.771 -6.427 -5.841
54 H ALA 8 H ALA 8 -4.353 -3.835 -9.866
55 HA ALA 8 HA ALA 8 -2.459 -1.824 -10.341
56 HB1 ALA 8 HB1 ALA 8 -5.241 -2.084 -11.470
57 HB2 ALA 8 HB2 ALA 8 -3.794 -2.869 -12.103
58 HB3 ALA 8 HB3 ALA 8 -3.933 -1.111 -12.141
59 H GLU 9 H GLU 9 -5.533 -1.766 -8.653
60 HA GLU 9 HA GLU 9 -6.071 0.967 -8.671
61 HB2 GLU 9 HB2 GLU 9 -6.580 -0.838 -6.303
62 HB3 GLU 9 HB3 GLU 9 -7.450 0.625 -6.735
63 HG2 GLU 9 HG2 GLU 9 -8.909 -1.014 -7.395
64 HG3 GLU 9 HG3 GLU 9 -8.048 -0.680 -8.898
65 H ALA 10 H ALA 10 -4.240 -0.906 -6.266
66 HA ALA 10 HA ALA 10 -3.648 1.283 -4.590
67 HB1 ALA 10 HB1 ALA 10 -2.028 -0.190 -3.533
68 HB2 ALA 10 HB2 ALA 10 -2.134 -1.309 -4.891
69 HB3 ALA 10 HB3 ALA 10 -3.535 -1.050 -3.851
70 H GLU 11 H GLU 11 -1.857 -0.209 -7.253
71 HA GLU 11 HA GLU 11 0.505 1.301 -6.954
72 HB2 GLU 11 HB2 GLU 11 -0.698 -0.281 -9.189
73 HB3 GLU 11 HB3 GLU 11 0.719 0.715 -9.497
74 HG2 GLU 11 HG2 GLU 11 0.583 -1.377 -7.340
75 HG3 GLU 11 HG3 GLU 11 1.190 -1.682 -8.967
76 H LYS 12 H LYS 12 -2.457 1.926 -8.805
77 HA LYS 12 HA LYS 12 -1.434 4.229 -10.135
78 HB2 LYS 12 HB2 LYS 12 -4.282 3.377 -9.597
79 HB3 LYS 12 HB3 LYS 12 -3.829 4.732 -10.625
80 HG2 LYS 12 HG2 LYS 12 -3.143 1.831 -11.068
81 HG3 LYS 12 HG3 LYS 12 -4.320 2.790 -11.970
82 HD2 LYS 12 HD2 LYS 12 -2.572 4.211 -12.829
83 HD3 LYS 12 HD3 LYS 12 -1.371 3.397 -11.825
84 HE2 LYS 12 HE2 LYS 12 -1.839 1.297 -13.044
85 HE3 LYS 12 HE3 LYS 12 -2.939 2.189 -14.095
86 HZ1 LYS 12 HZ1 LYS 12 -1.130 3.533 -14.868
87 HZ2 LYS 12 HZ2 LYS 12 -0.693 1.904 -15.044
88 HZ3 LYS 12 HZ3 LYS 12 -0.056 2.817 -13.767
89 H MET 13 H MET 13 -3.050 3.701 -7.079
90 HA MET 13 HA MET 13 -3.449 6.472 -6.486
91 HB2 MET 13 HB2 MET 13 -3.405 4.001 -4.745
92 HB3 MET 13 HB3 MET 13 -3.764 5.608 -4.129
93 HG2 MET 13 HG2 MET 13 -5.732 5.766 -5.452
94 HG3 MET 13 HG3 MET 13 -5.318 4.306 -6.346
95 HE1 MET 13 HE1 MET 13 -6.404 5.734 -2.819
96 HE2 MET 13 HE2 MET 13 -4.920 4.844 -2.480
97 HE3 MET 13 HE3 MET 13 -6.464 4.249 -1.872
98 H LEU 14 H LEU 14 -1.020 4.046 -5.635
99 HA LEU 14 HA LEU 14 0.555 5.759 -4.013
100 HB2 LEU 14 HB2 LEU 14 0.586 3.272 -3.937
101 HB3 LEU 14 HB3 LEU 14 1.380 3.263 -5.499
102 HG LEU 14 HG LEU 14 3.299 4.478 -4.486
103 HD11 LEU 14 HD11 LEU 14 1.854 3.945 -1.895
104 HD12 LEU 14 HD12 LEU 14 2.093 5.529 -2.636
105 HD13 LEU 14 HD13 LEU 14 3.482 4.602 -2.066
106 HD21 LEU 14 HD21 LEU 14 2.549 1.863 -3.180
107 HD22 LEU 14 HD22 LEU 14 4.174 2.544 -3.262
108 HD23 LEU 14 HD23 LEU 14 3.346 2.058 -4.741
109 H GLY 15 H GLY 15 0.349 5.222 -7.431
110 HA2 GLY 15 HA2 GLY 15 2.891 6.152 -8.220
111 HA3 GLY 15 HA3 GLY 15 1.449 6.127 -9.223
112 H LYS 16 H LYS 16 0.192 7.854 -6.991
113 HA LYS 16 HA LYS 16 0.908 10.382 -8.217
114 HB2 LYS 16 HB2 LYS 16 -1.135 9.679 -6.105
115 HB3 LYS 16 HB3 LYS 16 -0.950 11.271 -6.833
116 HG2 LYS 16 HG2 LYS 16 -1.455 10.288 -9.040
117 HG3 LYS 16 HG3 LYS 16 -1.718 8.731 -8.256
118 HD2 LYS 16 HD2 LYS 16 -3.536 9.707 -6.937
119 HD3 LYS 16 HD3 LYS 16 -3.269 11.264 -7.728
120 HE2 LYS 16 HE2 LYS 16 -5.124 10.126 -8.773
121 HE3 LYS 16 HE3 LYS 16 -3.770 10.218 -9.898
122 HZ1 LYS 16 HZ1 LYS 16 -4.579 7.846 -8.303
123 HZ2 LYS 16 HZ2 LYS 16 -3.211 7.913 -9.303
124 HZ3 LYS 16 HZ3 LYS 16 -4.758 8.045 -9.977
125 H VAL 17 H VAL 17 2.090 8.566 -5.762
126 HA VAL 17 HA VAL 17 2.824 10.842 -4.069
127 HB VAL 17 HB VAL 17 3.030 7.864 -3.640
128 HG11 VAL 17 HG11 VAL 17 4.930 8.990 -2.578
129 HG12 VAL 17 HG12 VAL 17 3.812 8.342 -1.381
130 HG13 VAL 17 HG13 VAL 17 3.816 10.069 -1.736
131 HG21 VAL 17 HG21 VAL 17 0.775 8.751 -3.450
132 HG22 VAL 17 HG22 VAL 17 1.332 9.953 -2.286
133 HG23 VAL 17 HG23 VAL 17 1.380 8.238 -1.874
134 HA PRO 18 HA PRO 18 6.772 11.131 -6.090
135 HB2 PRO 18 HB2 PRO 18 8.150 12.127 -3.883
136 HB3 PRO 18 HB3 PRO 18 7.268 13.092 -5.069
137 HG2 PRO 18 HG2 PRO 18 6.419 12.173 -2.365
138 HG3 PRO 18 HG3 PRO 18 6.070 13.701 -3.194
139 HD2 PRO 18 HD2 PRO 18 4.236 11.752 -2.979
140 HD3 PRO 18 HD3 PRO 18 4.340 12.772 -4.428
141 H PHE 19 H PHE 19 8.646 10.069 -6.250
142 HA PHE 19 HA PHE 19 8.470 7.404 -5.478
143 HB2 PHE 19 HB2 PHE 19 9.621 8.378 -7.499
144 HB3 PHE 19 HB3 PHE 19 10.977 8.767 -6.445
145 HD1 PHE 19 HD1 PHE 19 8.786 5.897 -7.282
146 HD2 PHE 19 HD2 PHE 19 12.700 7.260 -6.333
147 HE1 PHE 19 HE1 PHE 19 9.660 3.610 -7.610
148 HE2 PHE 19 HE2 PHE 19 13.583 4.982 -6.655
149 HZ PHE 19 HZ PHE 19 12.060 3.154 -7.296
150 H PHE 20 H PHE 20 10.308 10.018 -4.034
151 HA PHE 20 HA PHE 20 12.242 8.602 -2.649
152 HB2 PHE 20 HB2 PHE 20 10.834 11.051 -1.586
153 HB3 PHE 20 HB3 PHE 20 12.467 10.517 -1.213
154 HD1 PHE 20 HD2 PHE 20 14.135 10.437 -3.182
155 HD2 PHE 20 HD1 PHE 20 10.463 12.583 -3.264
156 HE1 PHE 20 HE2 PHE 20 14.998 11.836 -5.014
157 HE2 PHE 20 HE1 PHE 20 11.316 13.984 -5.100
158 HZ PHE 20 HZ PHE 20 13.587 13.613 -5.975
159 H VAL 21 H VAL 21 8.983 9.511 -1.553
160 HA VAL 21 HA VAL 21 9.315 7.753 0.764
161 HB VAL 21 HB VAL 21 7.252 8.743 1.630
162 HG11 VAL 21 HG11 VAL 21 9.230 10.817 0.684
163 HG12 VAL 21 HG12 VAL 21 9.374 9.828 2.139
164 HG13 VAL 21 HG13 VAL 21 8.078 11.016 2.006
165 HG21 VAL 21 HG21 VAL 21 6.084 9.139 -0.468
166 HG22 VAL 21 HG22 VAL 21 7.249 10.390 -0.897
167 HG23 VAL 21 HG23 VAL 21 6.174 10.622 0.481
168 H ARG 22 H ARG 22 7.859 7.827 -2.327
169 HA ARG 22 HA ARG 22 5.580 6.261 -1.999
170 HB2 ARG 22 HB2 ARG 22 6.239 7.419 -4.102
171 HB3 ARG 22 HB3 ARG 22 7.486 6.203 -4.347
172 HG2 ARG 22 HG2 ARG 22 5.644 4.486 -4.289
173 HG3 ARG 22 HG3 ARG 22 4.510 5.832 -4.373
174 HD2 ARG 22 HD2 ARG 22 5.731 6.565 -6.462
175 HD3 ARG 22 HD3 ARG 22 6.567 5.011 -6.411
176 HE ARG 22 HE ARG 22 3.743 5.470 -6.973
177 HH11 ARG 22 HH11 ARG 22 6.377 3.199 -6.589
178 HH12 ARG 22 HH12 ARG 22 5.502 1.859 -7.260
179 HH21 ARG 22 HH21 ARG 22 2.575 3.709 -7.864
180 HH22 ARG 22 HH22 ARG 22 3.326 2.143 -7.978
181 H LYS 23 H LYS 23 8.907 5.266 -2.675
182 HA LYS 23 HA LYS 23 8.377 2.503 -2.806
183 HB2 LYS 23 HB2 LYS 23 10.387 3.537 -3.753
184 HB3 LYS 23 HB3 LYS 23 10.944 3.952 -2.140
185 HG2 LYS 23 HG2 LYS 23 11.338 1.691 -1.590
186 HG3 LYS 23 HG3 LYS 23 10.452 1.121 -3.007
187 HD2 LYS 23 HD2 LYS 23 12.141 2.006 -4.478
188 HD3 LYS 23 HD3 LYS 23 12.991 2.741 -3.117
189 HE2 LYS 23 HE2 LYS 23 12.509 -0.219 -3.347
190 HE3 LYS 23 HE3 LYS 23 13.950 0.571 -3.987
191 HZ1 LYS 23 HZ1 LYS 23 14.236 -0.381 -1.738
192 HZ2 LYS 23 HZ2 LYS 23 13.097 0.732 -1.142
193 HZ3 LYS 23 HZ3 LYS 23 14.553 1.285 -1.809
194 H LYS 24 H LYS 24 9.139 4.659 -0.157
195 HA LYS 24 HA LYS 24 9.568 2.653 1.806
196 HB2 LYS 24 HB2 LYS 24 10.374 4.932 2.126
197 HB3 LYS 24 HB3 LYS 24 8.725 5.541 2.090
198 HG2 LYS 24 HG2 LYS 24 8.236 4.234 4.130
199 HG3 LYS 24 HG3 LYS 24 9.930 3.741 4.179
200 HD2 LYS 24 HD2 LYS 24 10.616 6.065 4.400
201 HD3 LYS 24 HD3 LYS 24 8.932 6.584 4.296
202 HE2 LYS 24 HE2 LYS 24 8.434 5.320 6.344
203 HE3 LYS 24 HE3 LYS 24 10.127 4.848 6.454
204 HZ1 LYS 24 HZ1 LYS 24 9.068 7.620 6.605
205 HZ2 LYS 24 HZ2 LYS 24 10.713 7.200 6.645
206 HZ3 LYS 24 HZ3 LYS 24 9.682 6.705 7.897
207 H VAL 25 H VAL 25 6.748 4.641 0.938
208 HA VAL 25 HA VAL 25 4.981 3.645 2.866
209 HB VAL 25 HB VAL 25 4.346 4.677 0.091
210 HG11 VAL 25 HG11 VAL 25 2.489 3.358 0.973
211 HG12 VAL 25 HG12 VAL 25 2.085 5.076 0.942
212 HG13 VAL 25 HG13 VAL 25 2.519 4.299 2.465
213 HG21 VAL 25 HG21 VAL 25 3.808 6.768 1.276
214 HG22 VAL 25 HG22 VAL 25 5.503 6.313 1.455
215 HG23 VAL 25 HG23 VAL 25 4.374 6.042 2.781
216 H ARG 26 H ARG 26 5.826 2.422 -0.337
217 HA ARG 26 HA ARG 26 3.852 0.428 -0.517
218 HB2 ARG 26 HB2 ARG 26 5.416 1.218 -2.363
219 HB3 ARG 26 HB3 ARG 26 6.646 0.188 -1.641
220 HG2 ARG 26 HG2 ARG 26 5.201 -1.764 -1.975
221 HG3 ARG 26 HG3 ARG 26 3.987 -0.729 -2.724
222 HD2 ARG 26 HD2 ARG 26 5.688 -0.094 -4.431
223 HD3 ARG 26 HD3 ARG 26 6.774 -1.289 -3.726
224 HE ARG 26 HE ARG 26 4.383 -1.801 -5.318
225 HH11 ARG 26 HH11 ARG 26 6.920 -3.128 -3.289
226 HH12 ARG 26 HH12 ARG 26 6.775 -4.738 -3.932
227 HH21 ARG 26 HH21 ARG 26 4.226 -3.916 -6.196
228 HH22 ARG 26 HH22 ARG 26 5.262 -5.179 -5.581
229 H LYS 27 H LYS 27 7.074 0.416 0.953
230 HA LYS 27 HA LYS 27 6.962 -2.333 1.717
231 HB2 LYS 27 HB2 LYS 27 9.100 -1.120 1.483
232 HB3 LYS 27 HB3 LYS 27 8.673 -0.119 2.865
233 HG2 LYS 27 HG2 LYS 27 8.674 -2.064 4.312
234 HG3 LYS 27 HG3 LYS 27 9.016 -3.110 2.934
235 HD2 LYS 27 HD2 LYS 27 11.154 -2.014 2.604
236 HD3 LYS 27 HD3 LYS 27 10.805 -0.899 3.928
237 HE2 LYS 27 HE2 LYS 27 10.698 -2.800 5.481
238 HE3 LYS 27 HE3 LYS 27 11.080 -3.895 4.153
239 HZ1 LYS 27 HZ1 LYS 27 13.214 -2.889 3.914
240 HZ2 LYS 27 HZ2 LYS 27 13.008 -3.299 5.549
241 HZ3 LYS 27 HZ3 LYS 27 12.845 -1.684 5.050
242 H ASN 28 H ASN 28 6.080 0.710 3.265
243 HA ASN 28 HA ASN 28 5.525 -0.305 5.824
244 HB2 ASN 28 HB2 ASN 28 4.555 2.080 4.288
245 HB3 ASN 28 HB3 ASN 28 3.806 1.674 5.829
246 HD21 ASN 28 HD21 ASN 28 4.536 3.490 6.866
247 HD22 ASN 28 HD22 ASN 28 6.192 3.734 7.281
248 H THR 29 H THR 29 3.446 0.002 2.944
249 HA THR 29 HA THR 29 1.176 -1.204 4.143
250 HB THR 29 HB THR 29 0.662 -1.799 1.654
251 HG1 THR 29 HG1 THR 29 2.925 -1.311 1.049
252 HG21 THR 29 HG21 THR 29 0.859 1.054 2.612
253 HG22 THR 29 HG22 THR 29 -0.491 -0.052 2.881
254 HG23 THR 29 HG23 THR 29 -0.109 0.498 1.249
255 H ASP 30 H ASP 30 4.031 -2.451 2.582
256 HA ASP 30 HA ASP 30 3.244 -5.124 2.225
257 HB2 ASP 30 HB2 ASP 30 5.245 -4.271 1.172
258 HB3 ASP 30 HB3 ASP 30 5.957 -3.880 2.731
259 H ASN 31 H ASN 31 4.611 -3.402 4.979
260 HA ASN 31 HA ASN 31 4.639 -5.703 6.689
261 HB2 ASN 31 HB2 ASN 31 4.976 -2.752 7.172
262 HB3 ASN 31 HB3 ASN 31 4.893 -3.895 8.508
263 HD21 ASN 31 HD21 ASN 31 7.092 -2.172 7.634
264 HD22 ASN 31 HD22 ASN 31 8.428 -3.229 7.344
265 H TYR 32 H TYR 32 2.337 -3.198 5.891
266 HA TYR 32 HA TYR 32 0.663 -3.599 8.175
267 HB2 TYR 32 HB2 TYR 32 0.622 -1.478 6.999
268 HB3 TYR 32 HB3 TYR 32 0.102 -2.272 5.517
269 HD1 TYR 32 HD1 TYR 32 -0.952 -1.420 8.972
270 HD2 TYR 32 HD2 TYR 32 -2.191 -2.718 5.113
271 HE1 TYR 32 HE1 TYR 32 -3.304 -1.091 9.617
272 HE2 TYR 32 HE2 TYR 32 -4.539 -2.387 5.749
273 HH TYR 32 HH TYR 32 -5.893 -2.301 7.788
274 H ALA 33 H ALA 33 0.618 -4.753 4.839
275 HA ALA 33 HA ALA 33 -1.870 -6.013 4.862
276 HB1 ALA 33 HB1 ALA 33 -1.038 -7.337 2.992
277 HB2 ALA 33 HB2 ALA 33 0.614 -6.837 3.365
278 HB3 ALA 33 HB3 ALA 33 -0.572 -5.644 2.833
279 H ARG 34 H ARG 34 1.303 -7.207 5.848
280 HA ARG 34 HA ARG 34 0.591 -9.855 6.435
281 HB2 ARG 34 HB2 ARG 34 2.730 -8.020 7.467
282 HB3 ARG 34 HB3 ARG 34 2.539 -9.641 8.123
283 HG2 ARG 34 HG2 ARG 34 2.940 -10.614 5.975
284 HG3 ARG 34 HG3 ARG 34 2.957 -9.022 5.213
285 HD2 ARG 34 HD2 ARG 34 4.948 -8.413 6.401
286 HD3 ARG 34 HD3 ARG 34 4.888 -9.894 7.354
287 HE ARG 34 HE ARG 34 5.746 -11.076 5.560
288 HH11 ARG 34 HH11 ARG 34 4.894 -7.844 4.553
289 HH12 ARG 34 HH12 ARG 34 5.881 -7.880 3.125
290 HH21 ARG 34 HH21 ARG 34 7.072 -11.136 3.688
291 HH22 ARG 34 HH22 ARG 34 7.131 -9.743 2.642
292 H GLU 35 H GLU 35 0.172 -6.898 8.234
293 HA GLU 35 HA GLU 35 -0.189 -8.101 10.763
294 HB2 GLU 35 HB2 GLU 35 0.412 -5.739 10.533
295 HB3 GLU 35 HB3 GLU 35 -1.123 -5.410 9.743
296 HG2 GLU 35 HG2 GLU 35 -2.300 -6.048 11.800
297 HG3 GLU 35 HG3 GLU 35 -0.745 -6.314 12.589
298 H ILE 36 H ILE 36 -2.437 -7.051 8.237
299 HA ILE 36 HA ILE 36 -4.696 -8.006 9.807
300 HB ILE 36 HB ILE 36 -6.096 -7.137 7.944
301 HG12 ILE 36 HG12 ILE 36 -3.468 -6.082 6.871
302 HG13 ILE 36 HG13 ILE 36 -4.426 -7.363 6.135
303 HG21 ILE 36 HG21 ILE 36 -5.671 -4.758 8.431
304 HG22 ILE 36 HG22 ILE 36 -4.142 -5.209 9.185
305 HG23 ILE 36 HG23 ILE 36 -5.667 -5.764 9.878
306 HD11 ILE 36 HD11 ILE 36 -4.758 -5.243 4.996
307 HD12 ILE 36 HD12 ILE 36 -5.292 -4.500 6.505
308 HD13 ILE 36 HD13 ILE 36 -6.252 -5.781 5.765
309 H GLY 37 H GLY 37 -2.500 -9.547 8.094
310 HA2 GLY 37 HA2 GLY 37 -2.466 -11.738 7.386
311 HA3 GLY 37 HA3 GLY 37 -4.175 -11.839 7.779
312 H GLU 38 H GLU 38 -2.976 -9.415 5.590
313 HA GLU 38 HA GLU 38 -4.467 -10.749 3.437
314 HB2 GLU 38 HB2 GLU 38 -3.785 -7.849 3.910
315 HB3 GLU 38 HB3 GLU 38 -4.450 -8.434 2.394
316 HG2 GLU 38 HG2 GLU 38 -5.778 -8.709 5.077
317 HG3 GLU 38 HG3 GLU 38 -6.147 -7.464 3.883
318 HA PRO 39 HA PRO 39 -0.477 -11.045 1.381
319 HB2 PRO 39 HB2 PRO 39 -1.221 -12.837 -0.468
320 HB3 PRO 39 HB3 PRO 39 -0.948 -13.312 1.213
321 HG2 PRO 39 HG2 PRO 39 -3.516 -12.836 -0.232
322 HG3 PRO 39 HG3 PRO 39 -3.120 -14.075 0.969
323 HD2 PRO 39 HD2 PRO 39 -4.492 -11.723 1.496
324 HD3 PRO 39 HD3 PRO 39 -3.649 -12.704 2.712
325 H VAL 40 H VAL 40 -3.460 -9.812 0.435
326 HA VAL 40 HA VAL 40 -2.409 -8.867 -2.150
327 HB VAL 40 HB VAL 40 -5.313 -9.329 -1.446
328 HG11 VAL 40 HG11 VAL 40 -5.709 -8.973 -3.847
329 HG12 VAL 40 HG12 VAL 40 -4.000 -8.587 -4.059
330 HG13 VAL 40 HG13 VAL 40 -5.023 -7.548 -3.066
331 HG21 VAL 40 HG21 VAL 40 -5.207 -11.215 -3.016
332 HG22 VAL 40 HG22 VAL 40 -4.147 -11.448 -1.625
333 HG23 VAL 40 HG23 VAL 40 -3.468 -10.966 -3.179
334 H VAL 41 H VAL 41 -2.134 -6.743 -2.279
335 HA VAL 41 HA VAL 41 -3.441 -5.028 -0.279
336 HB VAL 41 HB VAL 41 -1.060 -4.427 -2.051
337 HG11 VAL 41 HG11 VAL 41 -0.807 -2.406 -0.680
338 HG12 VAL 41 HG12 VAL 41 -2.308 -2.796 0.160
339 HG13 VAL 41 HG13 VAL 41 -2.334 -2.413 -1.562
340 HG21 VAL 41 HG21 VAL 41 -1.209 -4.998 0.906
341 HG22 VAL 41 HG22 VAL 41 0.237 -4.497 0.032
342 HG23 VAL 41 HG23 VAL 41 -0.516 -6.052 -0.326
343 H THR 42 H THR 42 -5.275 -4.196 -0.983
344 HA THR 42 HA THR 42 -5.502 -3.330 -3.781
345 HB THR 42 HB THR 42 -7.979 -3.263 -3.263
346 HG1 THR 42 HG1 THR 42 -7.550 -5.016 -1.122
347 HG21 THR 42 HG21 THR 42 -6.958 -5.118 -4.502
348 HG22 THR 42 HG22 THR 42 -8.280 -5.680 -3.477
349 HG23 THR 42 HG23 THR 42 -6.607 -5.942 -2.981
350 H ALA 43 H ALA 43 -7.307 -1.449 -3.839
351 HA ALA 43 HA ALA 43 -6.190 0.867 -2.745
352 HB1 ALA 43 HB1 ALA 43 -9.015 0.414 -3.698
353 HB2 ALA 43 HB2 ALA 43 -7.644 0.897 -4.697
354 HB3 ALA 43 HB3 ALA 43 -8.251 1.983 -3.448
355 H ASP 44 H ASP 44 -8.736 -1.257 -1.583
356 HA ASP 44 HA ASP 44 -9.673 0.257 0.578
357 HB2 ASP 44 HB2 ASP 44 -10.853 -1.729 -0.122
358 HB3 ASP 44 HB3 ASP 44 -9.452 -2.739 0.216
359 H VAL 45 H VAL 45 -7.090 -2.169 0.429
360 HA VAL 45 HA VAL 45 -6.298 -2.022 3.119
361 HB VAL 45 HB VAL 45 -4.589 -2.698 0.715
362 HG11 VAL 45 HG11 VAL 45 -3.265 -2.205 2.722
363 HG12 VAL 45 HG12 VAL 45 -3.176 -3.910 2.282
364 HG13 VAL 45 HG13 VAL 45 -4.199 -3.399 3.625
365 HG21 VAL 45 HG21 VAL 45 -6.170 -4.511 2.530
366 HG22 VAL 45 HG22 VAL 45 -5.139 -5.016 1.192
367 HG23 VAL 45 HG23 VAL 45 -6.601 -4.084 0.872
368 H PHE 46 H PHE 46 -5.262 -0.223 0.258
369 HA PHE 46 HA PHE 46 -3.116 1.165 1.399
370 HB2 PHE 46 HB2 PHE 46 -3.738 1.043 -1.056
371 HB3 PHE 46 HB3 PHE 46 -4.969 2.256 -0.725
372 HD1 PHE 46 HD2 PHE 46 -4.312 4.548 -0.097
373 HD2 PHE 46 HD1 PHE 46 -1.431 1.617 -1.203
374 HE1 PHE 46 HE2 PHE 46 -2.643 6.324 -0.442
375 HE2 PHE 46 HE1 PHE 46 0.241 3.384 -1.550
376 HZ PHE 46 HZ PHE 46 -0.363 5.743 -1.170
377 H ARG 47 H ARG 47 -6.560 2.004 1.209
378 HA ARG 47 HA ARG 47 -6.434 4.551 2.365
379 HB2 ARG 47 HB2 ARG 47 -8.642 2.498 2.569
380 HB3 ARG 47 HB3 ARG 47 -8.807 4.199 2.972
381 HG2 ARG 47 HG2 ARG 47 -8.387 4.813 0.664
382 HG3 ARG 47 HG3 ARG 47 -8.140 3.115 0.241
383 HD2 ARG 47 HD2 ARG 47 -10.463 2.657 1.004
384 HD3 ARG 47 HD3 ARG 47 -10.681 4.388 1.248
385 HE ARG 47 HE ARG 47 -9.797 3.870 -1.394
386 HH11 ARG 47 HH11 ARG 47 -12.654 3.668 0.648
387 HH12 ARG 47 HH12 ARG 47 -13.758 3.748 -0.699
388 HH21 ARG 47 HH21 ARG 47 -11.257 3.973 -3.134
389 HH22 ARG 47 HH22 ARG 47 -12.968 3.910 -2.834
390 H LYS 48 H LYS 48 -7.021 1.403 3.882
391 HA LYS 48 HA LYS 48 -7.254 2.400 6.517
392 HB2 LYS 48 HB2 LYS 48 -6.615 -0.369 5.489
393 HB3 LYS 48 HB3 LYS 48 -6.998 0.003 7.165
394 HG2 LYS 48 HG2 LYS 48 -9.203 0.663 6.604
395 HG3 LYS 48 HG3 LYS 48 -8.841 0.624 4.879
396 HD2 LYS 48 HD2 LYS 48 -8.555 -1.792 4.976
397 HD3 LYS 48 HD3 LYS 48 -8.848 -1.771 6.717
398 HE2 LYS 48 HE2 LYS 48 -11.090 -1.021 6.399
399 HE3 LYS 48 HE3 LYS 48 -10.819 -0.774 4.676
400 HZ1 LYS 48 HZ1 LYS 48 -10.588 -3.133 4.375
401 HZ2 LYS 48 HZ2 LYS 48 -12.056 -2.812 5.156
402 HZ3 LYS 48 HZ3 LYS 48 -10.742 -3.414 6.042
403 H ALA 49 H ALA 49 -4.544 1.096 4.674
404 HA ALA 49 HA ALA 49 -2.691 0.998 6.801
405 HB1 ALA 49 HB1 ALA 49 -0.983 0.880 5.050
406 HB2 ALA 49 HB2 ALA 49 -2.195 1.320 3.846
407 HB3 ALA 49 HB3 ALA 49 -2.333 -0.206 4.720
408 H LYS 50 H LYS 50 -3.415 3.475 4.389
409 HA LYS 50 HA LYS 50 -1.371 5.271 4.946
410 HB2 LYS 50 HB2 LYS 50 -2.868 5.453 3.013
411 HB3 LYS 50 HB3 LYS 50 -4.205 5.860 4.079
412 HG2 LYS 50 HG2 LYS 50 -2.917 7.875 4.793
413 HG3 LYS 50 HG3 LYS 50 -1.743 7.494 3.531
414 HD2 LYS 50 HD2 LYS 50 -3.519 7.629 1.849
415 HD3 LYS 50 HD3 LYS 50 -4.681 8.025 3.116
416 HE2 LYS 50 HE2 LYS 50 -3.321 10.025 3.666
417 HE3 LYS 50 HE3 LYS 50 -2.287 9.652 2.284
418 HZ1 LYS 50 HZ1 LYS 50 -5.185 10.289 2.196
419 HZ2 LYS 50 HZ2 LYS 50 -4.253 9.840 0.851
420 HZ3 LYS 50 HZ3 LYS 50 -3.917 11.285 1.669
421 H GLU 51 H GLU 51 -4.656 5.175 6.306
422 HA GLU 51 HA GLU 51 -4.193 7.363 8.063
423 HB2 GLU 51 HB2 GLU 51 -6.388 5.467 7.542
424 HB3 GLU 51 HB3 GLU 51 -6.334 6.135 9.168
425 HG2 GLU 51 HG2 GLU 51 -7.774 7.419 7.648
426 HG3 GLU 51 HG3 GLU 51 -6.452 8.376 8.309
427 H HIS 52 H HIS 52 -3.790 3.905 8.343
428 HA HIS 52 HA HIS 52 -3.486 3.855 11.180
429 HB2 HIS 52 HB2 HIS 52 -4.007 1.851 9.766
430 HB3 HIS 52 HB3 HIS 52 -2.358 1.908 9.156
431 HD1 HIS 52 HD1 HIS 52 -4.393 0.604 11.904
432 HD2 HIS 52 HD2 HIS 52 -0.360 1.346 11.200
433 HE1 HIS 52 HE1 HIS 52 -3.148 -0.679 13.669
434 HE2 HIS 52 HE2 HIS 52 -0.712 -0.340 13.136
435 H LEU 53 H LEU 53 -1.298 4.288 8.460
436 HA LEU 53 HA LEU 53 1.082 4.251 10.073
437 HB2 LEU 53 HB2 LEU 53 0.625 5.194 7.240
438 HB3 LEU 53 HB3 LEU 53 2.195 5.030 8.002
439 HG LEU 53 HG LEU 53 0.282 2.741 7.533
440 HD11 LEU 53 HD11 LEU 53 1.802 2.084 5.743
441 HD12 LEU 53 HD12 LEU 53 2.751 3.547 6.003
442 HD13 LEU 53 HD13 LEU 53 1.087 3.666 5.429
443 HD21 LEU 53 HD21 LEU 53 1.828 2.457 9.438
444 HD22 LEU 53 HD22 LEU 53 3.188 2.735 8.348
445 HD23 LEU 53 HD23 LEU 53 2.149 1.327 8.123
446 H GLY 54 H GLY 54 -0.906 6.739 8.542
447 HA2 GLY 54 HA2 GLY 54 -1.270 8.892 9.404
448 HA3 GLY 54 HA3 GLY 54 0.125 8.686 10.455
449 H GLY 55 H GLY 55 1.158 10.568 9.915
450 HA2 GLY 55 HA2 GLY 55 3.016 10.611 7.916
451 HA3 GLY 55 HA3 GLY 55 1.591 11.346 7.192
452 H LEU 56 H LEU 56 3.822 12.853 7.386
453 HA LEU 56 HA LEU 56 3.855 14.380 9.815
454 HB2 LEU 56 HB2 LEU 56 5.160 14.888 7.141
455 HB3 LEU 56 HB3 LEU 56 5.437 15.849 8.581
456 HG LEU 56 HG LEU 56 6.109 12.921 8.276
457 HD11 LEU 56 HD11 LEU 56 7.882 15.358 8.334
458 HD12 LEU 56 HD12 LEU 56 7.555 14.337 6.933
459 HD13 LEU 56 HD13 LEU 56 8.432 13.682 8.315
460 HD21 LEU 56 HD21 LEU 56 6.635 14.853 10.532
461 HD22 LEU 56 HD22 LEU 56 7.267 13.210 10.419
462 HD23 LEU 56 HD23 LEU 56 5.530 13.477 10.566
463 H GLU 57 H GLU 57 3.449 15.613 6.513
464 HA GLU 57 HA GLU 57 1.033 17.045 7.203
465 HB2 GLU 57 HB2 GLU 57 3.146 18.345 8.024
466 HB3 GLU 57 HB3 GLU 57 3.414 18.677 6.321
467 HG2 GLU 57 HG2 GLU 57 0.748 19.294 7.471
468 HG3 GLU 57 HG3 GLU 57 2.102 20.337 7.894
469 H HIS 58 H HIS 58 0.103 18.064 5.242
470 HA HIS 58 HA HIS 58 0.331 16.420 2.979
471 HB2 HIS 58 HB2 HIS 58 -0.916 19.133 3.384
472 HB3 HIS 58 HB3 HIS 58 -0.925 18.342 1.814
473 HD1 HIS 58 HD1 HIS 58 -3.383 18.986 3.911
474 HD2 HIS 58 HD2 HIS 58 -1.712 15.320 2.893
475 HE1 HIS 58 HE1 HIS 58 -5.161 17.277 4.373
476 HE2 HIS 58 HE2 HIS 58 -4.064 15.054 3.937
477 H HIS 59 H HIS 59 1.609 19.659 3.631
478 HA HIS 59 HA HIS 59 3.569 20.630 3.023
479 HB2 HIS 59 HB2 HIS 59 4.538 18.378 3.337
480 HB3 HIS 59 HB3 HIS 59 4.201 18.011 1.651
481 HD1 HIS 59 HD1 HIS 59 6.029 18.511 0.045
482 HD2 HIS 59 HD2 HIS 59 6.461 20.604 3.615
483 HE1 HIS 59 HE1 HIS 59 8.261 19.666 -0.104
484 HE2 HIS 59 HE2 HIS 59 8.394 21.092 1.968
485 H HIS 60 H HIS 60 1.381 19.432 0.725
486 HA HIS 60 HA HIS 60 2.332 21.410 -1.211
487 HB2 HIS 60 HB2 HIS 60 3.082 18.987 -1.741
488 HB3 HIS 60 HB3 HIS 60 1.391 18.705 -2.138
489 HD1 HIS 60 HD1 HIS 60 1.106 18.776 -4.591
490 HD2 HIS 60 HD2 HIS 60 3.894 21.568 -3.265
491 HE1 HIS 60 HE1 HIS 60 1.889 19.991 -6.653
492 HE2 HIS 60 HE2 HIS 60 3.752 21.493 -5.847
493 H HIS 61 H HIS 61 0.625 22.727 -0.610
494 HA HIS 61 HA HIS 61 -2.090 21.701 -0.761
495 HB2 HIS 61 HB2 HIS 61 -2.775 23.949 -0.026
496 HB3 HIS 61 HB3 HIS 61 -1.565 23.257 1.042
497 HD1 HIS 61 HD1 HIS 61 -0.421 25.300 1.925
498 HD2 HIS 61 HD2 HIS 61 -0.818 25.396 -2.215
499 HE1 HIS 61 HE1 HIS 61 0.829 27.345 1.168
500 HE2 HIS 61 HE2 HIS 61 0.490 27.440 -1.330
501 H HIS 62 H HIS 62 -3.736 23.052 -1.970
502 HA HIS 62 HA HIS 62 -2.607 23.947 -4.537
503 HB2 HIS 62 HB2 HIS 62 -5.207 22.482 -4.054
504 HB3 HIS 62 HB3 HIS 62 -4.701 23.140 -5.607
505 HD1 HIS 62 HD1 HIS 62 -3.946 20.393 -3.172
506 HD2 HIS 62 HD2 HIS 62 -2.787 21.647 -6.965
507 HE1 HIS 62 HE1 HIS 62 -2.583 18.503 -4.125
508 HE2 HIS 62 HE2 HIS 62 -1.714 19.379 -6.329
509 H HIS 63 H HIS 63 -2.507 26.002 -3.485
510 HA HIS 63 HA HIS 63 -4.851 27.594 -4.004
511 HB2 HIS 63 HB2 HIS 63 -3.790 27.215 -1.217
512 HB3 HIS 63 HB3 HIS 63 -4.491 28.757 -1.687
513 HD1 HIS 63 HD1 HIS 63 -5.432 25.845 0.010
514 HD2 HIS 63 HD2 HIS 63 -7.226 28.116 -2.980
515 HE1 HIS 63 HE1 HIS 63 -7.887 25.304 0.124
516 HE2 HIS 63 HE2 HIS 63 -8.929 26.570 -1.787
Start of MODEL 6
1 H1 MET 1 H1 MET 1 5.684 -14.844 -3.261
2 H2 MET 1 H2 MET 1 5.530 -16.531 -3.282
3 H3 MET 1 H3 MET 1 7.007 -15.810 -3.696
4 HA MET 1 HA MET 1 5.736 -15.631 -1.031
5 HB2 MET 1 HB2 MET 1 6.491 -17.932 -1.589
6 HB3 MET 1 HB3 MET 1 8.097 -17.303 -1.931
7 HG2 MET 1 HG2 MET 1 8.061 -18.299 0.252
8 HG3 MET 1 HG3 MET 1 8.284 -16.556 0.399
9 HE1 MET 1 HE1 MET 1 6.219 -17.323 3.611
10 HE2 MET 1 HE2 MET 1 7.653 -16.539 2.949
11 HE3 MET 1 HE3 MET 1 7.506 -18.296 2.898
12 H GLY 2 H GLY 2 6.440 -13.904 0.029
13 HA2 GLY 2 HA2 GLY 2 8.547 -12.857 0.899
14 HA3 GLY 2 HA3 GLY 2 9.055 -12.770 -0.781
15 H GLU 3 H GLU 3 7.560 -11.531 -2.242
16 HA GLU 3 HA GLU 3 6.773 -9.058 -0.908
17 HB2 GLU 3 HB2 GLU 3 7.083 -9.777 -3.824
18 HB3 GLU 3 HB3 GLU 3 6.500 -8.215 -3.264
19 HG2 GLU 3 HG2 GLU 3 8.602 -7.827 -2.109
20 HG3 GLU 3 HG3 GLU 3 9.186 -9.409 -2.625
21 H LEU 4 H LEU 4 4.727 -8.123 -1.166
22 HA LEU 4 HA LEU 4 2.593 -10.069 -1.308
23 HB2 LEU 4 HB2 LEU 4 2.505 -7.110 -0.725
24 HB3 LEU 4 HB3 LEU 4 1.170 -8.233 -0.531
25 HG LEU 4 HG LEU 4 3.761 -8.345 1.014
26 HD11 LEU 4 HD11 LEU 4 2.420 -7.588 2.906
27 HD12 LEU 4 HD12 LEU 4 1.020 -7.417 1.848
28 HD13 LEU 4 HD13 LEU 4 2.438 -6.393 1.609
29 HD21 LEU 4 HD21 LEU 4 2.752 -10.536 0.734
30 HD22 LEU 4 HD22 LEU 4 1.205 -9.911 1.297
31 HD23 LEU 4 HD23 LEU 4 2.577 -9.981 2.398
32 H SER 5 H SER 5 0.608 -9.620 -2.511
33 HA SER 5 HA SER 5 1.287 -8.924 -5.236
34 HB2 SER 5 HB2 SER 5 -0.075 -10.962 -4.628
35 HB3 SER 5 HB3 SER 5 -1.376 -9.871 -4.155
36 HG SER 5 HG SER 5 -1.716 -10.516 -6.272
37 H TRP 6 H TRP 6 1.232 -6.845 -5.779
38 HA TRP 6 HA TRP 6 -0.688 -5.048 -4.523
39 HB2 TRP 6 HB2 TRP 6 1.804 -4.672 -6.140
40 HB3 TRP 6 HB3 TRP 6 0.630 -3.361 -6.038
41 HD1 TRP 6 HD1 TRP 6 2.531 -5.651 -3.513
42 HE1 TRP 6 HE1 TRP 6 3.145 -4.200 -1.468
43 HE3 TRP 6 HE3 TRP 6 0.388 -1.246 -4.965
44 HZ2 TRP 6 HZ2 TRP 6 2.772 -1.545 -0.604
45 HZ3 TRP 6 HZ3 TRP 6 0.569 0.702 -3.477
46 HH2 TRP 6 HH2 TRP 6 1.738 0.553 -1.340
47 H THR 7 H THR 7 -2.427 -4.240 -5.507
48 HA THR 7 HA THR 7 -3.141 -5.290 -8.109
49 HB THR 7 HB THR 7 -5.314 -4.097 -7.691
50 HG1 THR 7 HG1 THR 7 -4.377 -3.716 -5.037
51 HG21 THR 7 HG21 THR 7 -6.065 -5.624 -5.932
52 HG22 THR 7 HG22 THR 7 -4.388 -5.979 -5.520
53 HG23 THR 7 HG23 THR 7 -5.029 -6.449 -7.094
54 H ALA 8 H ALA 8 -4.260 -3.766 -9.664
55 HA ALA 8 HA ALA 8 -2.478 -1.719 -10.468
56 HB1 ALA 8 HB1 ALA 8 -3.891 -2.964 -12.041
57 HB2 ALA 8 HB2 ALA 8 -4.120 -1.221 -12.193
58 HB3 ALA 8 HB3 ALA 8 -5.324 -2.198 -11.353
59 H GLU 9 H GLU 9 -5.384 -1.751 -8.537
60 HA GLU 9 HA GLU 9 -5.842 1.056 -8.572
61 HB2 GLU 9 HB2 GLU 9 -6.736 -1.031 -6.585
62 HB3 GLU 9 HB3 GLU 9 -7.337 0.620 -6.660
63 HG2 GLU 9 HG2 GLU 9 -8.056 0.114 -9.027
64 HG3 GLU 9 HG3 GLU 9 -7.707 -1.577 -8.667
65 H ALA 10 H ALA 10 -4.103 -1.131 -6.427
66 HA ALA 10 HA ALA 10 -3.429 0.733 -4.442
67 HB1 ALA 10 HB1 ALA 10 -3.166 -1.664 -4.128
68 HB2 ALA 10 HB2 ALA 10 -1.630 -0.836 -3.859
69 HB3 ALA 10 HB3 ALA 10 -1.913 -1.705 -5.366
70 H GLU 11 H GLU 11 -1.862 -0.142 -7.489
71 HA GLU 11 HA GLU 11 0.402 1.507 -7.219
72 HB2 GLU 11 HB2 GLU 11 -1.024 0.321 -9.572
73 HB3 GLU 11 HB3 GLU 11 0.280 1.470 -9.823
74 HG2 GLU 11 HG2 GLU 11 0.519 -1.089 -8.261
75 HG3 GLU 11 HG3 GLU 11 1.011 -0.876 -9.941
76 H LYS 12 H LYS 12 -2.861 2.177 -8.383
77 HA LYS 12 HA LYS 12 -2.371 4.726 -9.463
78 HB2 LYS 12 HB2 LYS 12 -4.874 3.682 -8.124
79 HB3 LYS 12 HB3 LYS 12 -4.784 5.148 -9.088
80 HG2 LYS 12 HG2 LYS 12 -4.228 3.856 -11.055
81 HG3 LYS 12 HG3 LYS 12 -4.228 2.369 -10.099
82 HD2 LYS 12 HD2 LYS 12 -6.616 2.831 -9.522
83 HD3 LYS 12 HD3 LYS 12 -6.577 4.178 -10.662
84 HE2 LYS 12 HE2 LYS 12 -6.028 2.635 -12.475
85 HE3 LYS 12 HE3 LYS 12 -6.036 1.288 -11.337
86 HZ1 LYS 12 HZ1 LYS 12 -8.114 1.320 -12.464
87 HZ2 LYS 12 HZ2 LYS 12 -8.346 2.966 -12.143
88 HZ3 LYS 12 HZ3 LYS 12 -8.402 1.843 -10.875
89 H MET 13 H MET 13 -3.036 3.648 -6.192
90 HA MET 13 HA MET 13 -3.248 6.322 -5.144
91 HB2 MET 13 HB2 MET 13 -2.990 3.686 -3.685
92 HB3 MET 13 HB3 MET 13 -3.489 5.219 -2.980
93 HG2 MET 13 HG2 MET 13 -5.505 5.234 -4.267
94 HG3 MET 13 HG3 MET 13 -4.983 3.826 -5.189
95 HE1 MET 13 HE1 MET 13 -6.477 5.152 -1.829
96 HE2 MET 13 HE2 MET 13 -4.872 4.630 -1.317
97 HE3 MET 13 HE3 MET 13 -6.302 3.751 -0.770
98 H LEU 14 H LEU 14 -0.867 3.698 -5.064
99 HA LEU 14 HA LEU 14 1.024 5.071 -3.455
100 HB2 LEU 14 HB2 LEU 14 1.030 2.628 -3.762
101 HB3 LEU 14 HB3 LEU 14 1.456 2.840 -5.447
102 HG LEU 14 HG LEU 14 3.594 3.891 -4.740
103 HD11 LEU 14 HD11 LEU 14 2.737 3.028 -1.984
104 HD12 LEU 14 HD12 LEU 14 2.892 4.690 -2.550
105 HD13 LEU 14 HD13 LEU 14 4.319 3.665 -2.425
106 HD21 LEU 14 HD21 LEU 14 3.095 1.122 -3.656
107 HD22 LEU 14 HD22 LEU 14 4.673 1.817 -4.022
108 HD23 LEU 14 HD23 LEU 14 3.515 1.527 -5.320
109 H GLY 15 H GLY 15 0.294 5.113 -6.856
110 HA2 GLY 15 HA2 GLY 15 2.759 6.252 -7.732
111 HA3 GLY 15 HA3 GLY 15 1.255 6.205 -8.640
112 H LYS 16 H LYS 16 0.030 7.554 -6.151
113 HA LYS 16 HA LYS 16 0.325 10.252 -7.068
114 HB2 LYS 16 HB2 LYS 16 -1.033 9.131 -4.608
115 HB3 LYS 16 HB3 LYS 16 -1.156 10.799 -5.150
116 HG2 LYS 16 HG2 LYS 16 -2.110 8.370 -6.654
117 HG3 LYS 16 HG3 LYS 16 -3.119 9.541 -5.800
118 HD2 LYS 16 HD2 LYS 16 -2.354 11.305 -7.312
119 HD3 LYS 16 HD3 LYS 16 -1.339 10.140 -8.163
120 HE2 LYS 16 HE2 LYS 16 -4.339 9.970 -7.920
121 HE3 LYS 16 HE3 LYS 16 -3.476 10.607 -9.319
122 HZ1 LYS 16 HZ1 LYS 16 -2.478 8.464 -9.677
123 HZ2 LYS 16 HZ2 LYS 16 -4.165 8.286 -9.588
124 HZ3 LYS 16 HZ3 LYS 16 -3.197 7.840 -8.274
125 H VAL 17 H VAL 17 1.833 8.254 -4.754
126 HA VAL 17 HA VAL 17 2.975 10.382 -3.180
127 HB VAL 17 HB VAL 17 3.590 7.426 -3.294
128 HG11 VAL 17 HG11 VAL 17 4.716 7.733 -1.143
129 HG12 VAL 17 HG12 VAL 17 4.451 9.473 -1.254
130 HG13 VAL 17 HG13 VAL 17 5.497 8.665 -2.420
131 HG21 VAL 17 HG21 VAL 17 1.325 7.868 -2.557
132 HG22 VAL 17 HG22 VAL 17 1.922 9.001 -1.345
133 HG23 VAL 17 HG23 VAL 17 2.307 7.285 -1.215
134 HA PRO 18 HA PRO 18 6.370 11.355 -5.902
135 HB2 PRO 18 HB2 PRO 18 8.250 11.760 -3.856
136 HB3 PRO 18 HB3 PRO 18 7.209 12.990 -4.576
137 HG2 PRO 18 HG2 PRO 18 6.868 11.458 -2.048
138 HG3 PRO 18 HG3 PRO 18 6.417 13.132 -2.421
139 HD2 PRO 18 HD2 PRO 18 4.580 11.189 -2.287
140 HD3 PRO 18 HD3 PRO 18 4.449 12.494 -3.482
141 H PHE 19 H PHE 19 7.754 10.070 -6.942
142 HA PHE 19 HA PHE 19 8.028 7.389 -6.226
143 HB2 PHE 19 HB2 PHE 19 9.598 7.194 -8.110
144 HB3 PHE 19 HB3 PHE 19 8.144 8.084 -8.541
145 HD1 PHE 19 HD2 PHE 19 8.239 10.484 -8.959
146 HD2 PHE 19 HD1 PHE 19 11.747 8.233 -8.101
147 HE1 PHE 19 HE2 PHE 19 9.624 12.323 -9.827
148 HE2 PHE 19 HE1 PHE 19 13.141 10.067 -8.966
149 HZ PHE 19 HZ PHE 19 12.081 12.116 -9.832
150 H PHE 20 H PHE 20 9.819 10.050 -5.148
151 HA PHE 20 HA PHE 20 12.316 8.879 -4.608
152 HB2 PHE 20 HB2 PHE 20 10.902 11.000 -2.980
153 HB3 PHE 20 HB3 PHE 20 12.630 10.687 -3.020
154 HD1 PHE 20 HD2 PHE 20 13.942 11.259 -5.035
155 HD2 PHE 20 HD1 PHE 20 9.841 12.324 -4.635
156 HE1 PHE 20 HE2 PHE 20 14.195 12.906 -6.845
157 HE2 PHE 20 HE1 PHE 20 10.088 13.973 -6.445
158 HZ PHE 20 HZ PHE 20 12.268 14.268 -7.548
159 H VAL 21 H VAL 21 9.228 8.760 -2.928
160 HA VAL 21 HA VAL 21 10.513 7.191 -0.789
161 HB VAL 21 HB VAL 21 8.883 8.125 0.808
162 HG11 VAL 21 HG11 VAL 21 10.552 10.182 -0.626
163 HG12 VAL 21 HG12 VAL 21 11.097 9.103 0.658
164 HG13 VAL 21 HG13 VAL 21 9.896 10.350 1.004
165 HG21 VAL 21 HG21 VAL 21 7.610 10.139 0.199
166 HG22 VAL 21 HG22 VAL 21 7.105 8.732 -0.735
167 HG23 VAL 21 HG23 VAL 21 8.140 9.955 -1.474
168 H ARG 22 H ARG 22 8.661 6.774 -3.336
169 HA ARG 22 HA ARG 22 6.274 5.629 -2.457
170 HB2 ARG 22 HB2 ARG 22 7.972 5.005 -4.872
171 HB3 ARG 22 HB3 ARG 22 6.420 4.240 -4.578
172 HG2 ARG 22 HG2 ARG 22 5.402 6.501 -4.517
173 HG3 ARG 22 HG3 ARG 22 6.961 7.147 -5.034
174 HD2 ARG 22 HD2 ARG 22 5.757 6.914 -7.027
175 HD3 ARG 22 HD3 ARG 22 6.789 5.485 -6.976
176 HE ARG 22 HE ARG 22 4.003 5.354 -6.041
177 HH11 ARG 22 HH11 ARG 22 6.517 4.282 -8.240
178 HH12 ARG 22 HH12 ARG 22 5.581 2.964 -8.874
179 HH21 ARG 22 HH21 ARG 22 2.752 3.649 -6.925
180 HH22 ARG 22 HH22 ARG 22 3.431 2.607 -8.135
181 H LYS 23 H LYS 23 9.508 4.324 -2.655
182 HA LYS 23 HA LYS 23 8.730 1.624 -2.285
183 HB2 LYS 23 HB2 LYS 23 11.438 2.887 -1.801
184 HB3 LYS 23 HB3 LYS 23 11.112 1.170 -2.011
185 HG2 LYS 23 HG2 LYS 23 10.759 3.331 -4.077
186 HG3 LYS 23 HG3 LYS 23 12.008 2.086 -4.052
187 HD2 LYS 23 HD2 LYS 23 10.379 0.359 -4.397
188 HD3 LYS 23 HD3 LYS 23 9.054 1.505 -4.197
189 HE2 LYS 23 HE2 LYS 23 9.422 0.962 -6.549
190 HE3 LYS 23 HE3 LYS 23 9.732 2.666 -6.224
191 HZ1 LYS 23 HZ1 LYS 23 12.066 2.279 -6.283
192 HZ2 LYS 23 HZ2 LYS 23 11.395 1.584 -7.677
193 HZ3 LYS 23 HZ3 LYS 23 11.853 0.596 -6.377
194 H LYS 24 H LYS 24 9.455 4.274 -0.166
195 HA LYS 24 HA LYS 24 9.742 2.715 2.213
196 HB2 LYS 24 HB2 LYS 24 9.014 5.633 1.879
197 HB3 LYS 24 HB3 LYS 24 9.466 4.866 3.393
198 HG2 LYS 24 HG2 LYS 24 11.680 4.339 2.400
199 HG3 LYS 24 HG3 LYS 24 11.213 5.273 0.977
200 HD2 LYS 24 HD2 LYS 24 12.545 6.646 2.473
201 HD3 LYS 24 HD3 LYS 24 10.887 7.250 2.410
202 HE2 LYS 24 HE2 LYS 24 10.409 6.006 4.504
203 HE3 LYS 24 HE3 LYS 24 12.110 5.551 4.582
204 HZ1 LYS 24 HZ1 LYS 24 12.695 7.888 4.730
205 HZ2 LYS 24 HZ2 LYS 24 11.632 7.454 5.980
206 HZ3 LYS 24 HZ3 LYS 24 11.059 8.331 4.643
207 H VAL 25 H VAL 25 7.124 4.581 0.732
208 HA VAL 25 HA VAL 25 5.153 4.003 2.662
209 HB VAL 25 HB VAL 25 4.726 4.550 -0.283
210 HG11 VAL 25 HG11 VAL 25 2.751 3.644 0.834
211 HG12 VAL 25 HG12 VAL 25 2.517 5.338 0.405
212 HG13 VAL 25 HG13 VAL 25 2.875 4.892 2.074
213 HG21 VAL 25 HG21 VAL 25 6.071 6.300 0.748
214 HG22 VAL 25 HG22 VAL 25 4.885 6.466 2.041
215 HG23 VAL 25 HG23 VAL 25 4.450 6.893 0.389
216 H ARG 26 H ARG 26 6.097 2.387 -0.339
217 HA ARG 26 HA ARG 26 4.162 0.346 -0.284
218 HB2 ARG 26 HB2 ARG 26 5.538 0.853 -2.263
219 HB3 ARG 26 HB3 ARG 26 6.963 0.258 -1.423
220 HG2 ARG 26 HG2 ARG 26 5.943 -1.966 -1.293
221 HG3 ARG 26 HG3 ARG 26 4.540 -1.362 -2.172
222 HD2 ARG 26 HD2 ARG 26 5.948 -0.843 -4.087
223 HD3 ARG 26 HD3 ARG 26 7.371 -1.408 -3.211
224 HE ARG 26 HE ARG 26 5.117 -3.154 -3.978
225 HH11 ARG 26 HH11 ARG 26 8.527 -2.580 -3.472
226 HH12 ARG 26 HH12 ARG 26 8.999 -4.176 -3.981
227 HH21 ARG 26 HH21 ARG 26 5.738 -5.257 -4.660
228 HH22 ARG 26 HH22 ARG 26 7.426 -5.705 -4.623
229 H LYS 27 H LYS 27 7.295 0.652 1.301
230 HA LYS 27 HA LYS 27 7.416 -2.042 2.205
231 HB2 LYS 27 HB2 LYS 27 9.398 -0.567 2.060
232 HB3 LYS 27 HB3 LYS 27 8.749 0.413 3.367
233 HG2 LYS 27 HG2 LYS 27 8.920 -1.456 4.895
234 HG3 LYS 27 HG3 LYS 27 9.486 -2.500 3.590
235 HD2 LYS 27 HD2 LYS 27 11.461 -1.086 3.309
236 HD3 LYS 27 HD3 LYS 27 10.893 -0.031 4.605
237 HE2 LYS 27 HE2 LYS 27 12.552 -1.523 5.490
238 HE3 LYS 27 HE3 LYS 27 10.979 -1.963 6.150
239 HZ1 LYS 27 HZ1 LYS 27 10.873 -3.689 4.348
240 HZ2 LYS 27 HZ2 LYS 27 12.042 -3.952 5.544
241 HZ3 LYS 27 HZ3 LYS 27 12.509 -3.357 4.026
242 H ASN 28 H ASN 28 6.098 0.935 3.533
243 HA ASN 28 HA ASN 28 5.471 -0.067 6.100
244 HB2 ASN 28 HB2 ASN 28 4.555 2.276 4.482
245 HB3 ASN 28 HB3 ASN 28 3.658 1.842 5.934
246 HD21 ASN 28 HD21 ASN 28 6.722 2.966 4.681
247 HD22 ASN 28 HD22 ASN 28 7.350 3.519 6.194
248 H THR 29 H THR 29 3.629 0.035 3.064
249 HA THR 29 HA THR 29 1.317 -1.208 4.201
250 HB THR 29 HB THR 29 0.961 -1.749 1.639
251 HG1 THR 29 HG1 THR 29 2.119 0.409 0.788
252 HG21 THR 29 HG21 THR 29 0.790 1.016 2.827
253 HG22 THR 29 HG22 THR 29 -0.444 -0.241 2.906
254 HG23 THR 29 HG23 THR 29 -0.030 0.490 1.357
255 H ASP 30 H ASP 30 4.172 -2.328 2.466
256 HA ASP 30 HA ASP 30 3.561 -4.999 2.076
257 HB2 ASP 30 HB2 ASP 30 5.601 -4.040 1.212
258 HB3 ASP 30 HB3 ASP 30 6.179 -3.687 2.834
259 H ASN 31 H ASN 31 4.741 -3.386 4.980
260 HA ASN 31 HA ASN 31 4.702 -5.784 6.559
261 HB2 ASN 31 HB2 ASN 31 5.091 -2.869 7.182
262 HB3 ASN 31 HB3 ASN 31 4.881 -4.047 8.475
263 HD21 ASN 31 HD21 ASN 31 6.938 -2.997 5.858
264 HD22 ASN 31 HD22 ASN 31 8.347 -3.861 6.373
265 H TYR 32 H TYR 32 2.476 -3.111 5.945
266 HA TYR 32 HA TYR 32 0.844 -3.625 8.224
267 HB2 TYR 32 HB2 TYR 32 0.914 -1.397 7.224
268 HB3 TYR 32 HB3 TYR 32 0.229 -2.030 5.728
269 HD1 TYR 32 HD1 TYR 32 -0.535 -1.886 9.383
270 HD2 TYR 32 HD2 TYR 32 -2.056 -1.837 5.409
271 HE1 TYR 32 HE1 TYR 32 -2.796 -1.502 10.258
272 HE2 TYR 32 HE2 TYR 32 -4.323 -1.447 6.281
273 HH TYR 32 HH TYR 32 -5.583 -1.790 8.343
274 H ALA 33 H ALA 33 0.663 -4.585 4.829
275 HA ALA 33 HA ALA 33 -1.951 -5.632 4.934
276 HB1 ALA 33 HB1 ALA 33 -0.782 -5.160 2.831
277 HB2 ALA 33 HB2 ALA 33 -1.394 -6.814 2.890
278 HB3 ALA 33 HB3 ALA 33 0.319 -6.499 3.153
279 H ARG 34 H ARG 34 1.184 -7.012 5.731
280 HA ARG 34 HA ARG 34 0.269 -9.674 6.155
281 HB2 ARG 34 HB2 ARG 34 2.609 -8.337 7.525
282 HB3 ARG 34 HB3 ARG 34 2.387 -10.057 7.222
283 HG2 ARG 34 HG2 ARG 34 2.591 -9.690 4.845
284 HG3 ARG 34 HG3 ARG 34 2.745 -7.953 5.114
285 HD2 ARG 34 HD2 ARG 34 4.772 -8.485 6.530
286 HD3 ARG 34 HD3 ARG 34 4.667 -10.131 5.903
287 HE ARG 34 HE ARG 34 4.793 -7.940 3.971
288 HH11 ARG 34 HH11 ARG 34 6.397 -10.592 5.579
289 HH12 ARG 34 HH12 ARG 34 7.725 -10.633 4.470
290 HH21 ARG 34 HH21 ARG 34 6.504 -7.999 2.483
291 HH22 ARG 34 HH22 ARG 34 7.761 -9.187 2.672
292 H GLU 35 H GLU 35 0.483 -6.787 8.083
293 HA GLU 35 HA GLU 35 0.010 -7.896 10.605
294 HB2 GLU 35 HB2 GLU 35 0.862 -5.616 10.265
295 HB3 GLU 35 HB3 GLU 35 -0.678 -5.141 9.563
296 HG2 GLU 35 HG2 GLU 35 -1.772 -5.625 11.722
297 HG3 GLU 35 HG3 GLU 35 -0.189 -5.990 12.407
298 H ILE 36 H ILE 36 -2.210 -6.678 8.125
299 HA ILE 36 HA ILE 36 -4.509 -7.313 9.789
300 HB ILE 36 HB ILE 36 -5.851 -6.467 7.855
301 HG12 ILE 36 HG12 ILE 36 -3.118 -5.764 6.758
302 HG13 ILE 36 HG13 ILE 36 -4.239 -6.928 6.061
303 HG21 ILE 36 HG21 ILE 36 -5.261 -4.118 8.238
304 HG22 ILE 36 HG22 ILE 36 -3.744 -4.628 8.976
305 HG23 ILE 36 HG23 ILE 36 -5.278 -5.047 9.737
306 HD11 ILE 36 HD11 ILE 36 -4.274 -4.832 4.844
307 HD12 ILE 36 HD12 ILE 36 -4.702 -3.967 6.320
308 HD13 ILE 36 HD13 ILE 36 -5.828 -5.130 5.621
309 H GLY 37 H GLY 37 -2.581 -8.937 7.551
310 HA2 GLY 37 HA2 GLY 37 -2.762 -11.242 7.142
311 HA3 GLY 37 HA3 GLY 37 -4.445 -11.173 7.634
312 H GLU 38 H GLU 38 -3.272 -8.879 5.329
313 HA GLU 38 HA GLU 38 -4.881 -10.190 3.247
314 HB2 GLU 38 HB2 GLU 38 -3.917 -7.337 3.529
315 HB3 GLU 38 HB3 GLU 38 -4.777 -7.952 2.126
316 HG2 GLU 38 HG2 GLU 38 -5.901 -8.005 4.912
317 HG3 GLU 38 HG3 GLU 38 -6.162 -6.680 3.779
318 HA PRO 39 HA PRO 39 -0.895 -10.948 1.260
319 HB2 PRO 39 HB2 PRO 39 -1.770 -12.711 -0.557
320 HB3 PRO 39 HB3 PRO 39 -1.603 -13.153 1.145
321 HG2 PRO 39 HG2 PRO 39 -4.063 -12.414 -0.385
322 HG3 PRO 39 HG3 PRO 39 -3.838 -13.694 0.819
323 HD2 PRO 39 HD2 PRO 39 -4.971 -11.243 1.350
324 HD3 PRO 39 HD3 PRO 39 -4.187 -12.267 2.569
325 H VAL 40 H VAL 40 -3.851 -9.743 -0.054
326 HA VAL 40 HA VAL 40 -2.447 -8.782 -2.460
327 HB VAL 40 HB VAL 40 -5.425 -9.164 -2.082
328 HG11 VAL 40 HG11 VAL 40 -5.587 -8.723 -4.467
329 HG12 VAL 40 HG12 VAL 40 -3.843 -8.486 -4.558
330 HG13 VAL 40 HG13 VAL 40 -4.838 -7.360 -3.637
331 HG21 VAL 40 HG21 VAL 40 -3.455 -10.823 -3.658
332 HG22 VAL 40 HG22 VAL 40 -5.206 -11.044 -3.635
333 HG23 VAL 40 HG23 VAL 40 -4.264 -11.308 -2.167
334 H VAL 41 H VAL 41 -1.921 -6.716 -2.333
335 HA VAL 41 HA VAL 41 -3.245 -4.951 -0.462
336 HB VAL 41 HB VAL 41 -1.021 -4.363 -2.431
337 HG11 VAL 41 HG11 VAL 41 -2.274 -2.350 -1.850
338 HG12 VAL 41 HG12 VAL 41 -0.667 -2.322 -1.127
339 HG13 VAL 41 HG13 VAL 41 -2.071 -2.707 -0.134
340 HG21 VAL 41 HG21 VAL 41 0.452 -4.432 -0.486
341 HG22 VAL 41 HG22 VAL 41 -0.368 -5.979 -0.713
342 HG23 VAL 41 HG23 VAL 41 -0.914 -4.867 0.543
343 H THR 42 H THR 42 -5.184 -4.305 -1.045
344 HA THR 42 HA THR 42 -5.690 -3.456 -3.802
345 HB THR 42 HB THR 42 -8.087 -3.376 -3.018
346 HG1 THR 42 HG1 THR 42 -7.618 -5.030 -0.880
347 HG21 THR 42 HG21 THR 42 -8.383 -5.811 -3.007
348 HG22 THR 42 HG22 THR 42 -6.655 -6.016 -2.728
349 HG23 THR 42 HG23 THR 42 -7.226 -5.308 -4.239
350 H ALA 43 H ALA 43 -7.341 -1.520 -3.851
351 HA ALA 43 HA ALA 43 -6.199 0.799 -2.807
352 HB1 ALA 43 HB1 ALA 43 -9.067 0.334 -3.624
353 HB2 ALA 43 HB2 ALA 43 -7.745 0.781 -4.703
354 HB3 ALA 43 HB3 ALA 43 -8.282 1.905 -3.451
355 H ASP 44 H ASP 44 -8.557 -1.404 -1.468
356 HA ASP 44 HA ASP 44 -9.402 0.264 0.679
357 HB2 ASP 44 HB2 ASP 44 -10.712 -1.682 -0.152
358 HB3 ASP 44 HB3 ASP 44 -9.479 -2.756 0.507
359 H VAL 45 H VAL 45 -6.898 -2.188 0.301
360 HA VAL 45 HA VAL 45 -6.067 -2.237 3.008
361 HB VAL 45 HB VAL 45 -4.505 -2.890 0.499
362 HG11 VAL 45 HG11 VAL 45 -3.861 -3.566 3.370
363 HG12 VAL 45 HG12 VAL 45 -3.006 -2.389 2.374
364 HG13 VAL 45 HG13 VAL 45 -2.963 -4.099 1.949
365 HG21 VAL 45 HG21 VAL 45 -4.990 -5.215 1.090
366 HG22 VAL 45 HG22 VAL 45 -6.468 -4.293 0.806
367 HG23 VAL 45 HG23 VAL 45 -5.960 -4.662 2.455
368 H PHE 46 H PHE 46 -5.036 -0.351 0.192
369 HA PHE 46 HA PHE 46 -2.958 1.045 1.534
370 HB2 PHE 46 HB2 PHE 46 -3.443 0.785 -1.026
371 HB3 PHE 46 HB3 PHE 46 -4.460 2.204 -0.796
372 HD1 PHE 46 HD2 PHE 46 -3.478 4.366 -0.278
373 HD2 PHE 46 HD1 PHE 46 -1.051 0.920 -0.857
374 HE1 PHE 46 HE2 PHE 46 -1.497 5.805 -0.510
375 HE2 PHE 46 HE1 PHE 46 0.934 2.354 -1.091
376 HZ PHE 46 HZ PHE 46 0.713 4.799 -0.916
377 H ARG 47 H ARG 47 -6.370 1.685 0.932
378 HA ARG 47 HA ARG 47 -6.674 4.184 2.120
379 HB2 ARG 47 HB2 ARG 47 -8.593 3.351 1.075
380 HB3 ARG 47 HB3 ARG 47 -8.446 1.776 1.840
381 HG2 ARG 47 HG2 ARG 47 -8.864 3.262 4.017
382 HG3 ARG 47 HG3 ARG 47 -9.705 4.257 2.826
383 HD2 ARG 47 HD2 ARG 47 -11.165 2.489 2.241
384 HD3 ARG 47 HD3 ARG 47 -10.176 1.297 3.086
385 HE ARG 47 HE ARG 47 -11.128 3.309 4.859
386 HH11 ARG 47 HH11 ARG 47 -12.041 0.328 3.230
387 HH12 ARG 47 HH12 ARG 47 -13.320 -0.025 4.356
388 HH21 ARG 47 HH21 ARG 47 -12.786 2.822 6.341
389 HH22 ARG 47 HH22 ARG 47 -13.723 1.368 6.139
390 H LYS 48 H LYS 48 -6.881 0.967 3.592
391 HA LYS 48 HA LYS 48 -7.440 1.881 6.200
392 HB2 LYS 48 HB2 LYS 48 -7.636 -0.493 5.014
393 HB3 LYS 48 HB3 LYS 48 -6.071 -0.731 5.781
394 HG2 LYS 48 HG2 LYS 48 -7.010 -0.324 7.954
395 HG3 LYS 48 HG3 LYS 48 -8.565 0.107 7.234
396 HD2 LYS 48 HD2 LYS 48 -8.560 -2.234 6.228
397 HD3 LYS 48 HD3 LYS 48 -7.243 -2.590 7.350
398 HE2 LYS 48 HE2 LYS 48 -9.365 -3.271 8.299
399 HE3 LYS 48 HE3 LYS 48 -8.684 -1.933 9.224
400 HZ1 LYS 48 HZ1 LYS 48 -11.077 -1.676 8.806
401 HZ2 LYS 48 HZ2 LYS 48 -10.782 -1.654 7.132
402 HZ3 LYS 48 HZ3 LYS 48 -10.175 -0.412 8.120
403 H ALA 49 H ALA 49 -4.460 1.102 4.506
404 HA ALA 49 HA ALA 49 -2.686 1.293 6.666
405 HB1 ALA 49 HB1 ALA 49 -2.208 2.028 3.782
406 HB2 ALA 49 HB2 ALA 49 -2.016 0.424 4.490
407 HB3 ALA 49 HB3 ALA 49 -0.961 1.743 4.995
408 H LYS 50 H LYS 50 -3.917 3.770 4.439
409 HA LYS 50 HA LYS 50 -2.499 5.942 5.496
410 HB2 LYS 50 HB2 LYS 50 -5.149 5.778 4.071
411 HB3 LYS 50 HB3 LYS 50 -4.461 7.312 4.589
412 HG2 LYS 50 HG2 LYS 50 -2.474 6.870 3.222
413 HG3 LYS 50 HG3 LYS 50 -3.198 5.353 2.683
414 HD2 LYS 50 HD2 LYS 50 -4.978 6.515 1.579
415 HD3 LYS 50 HD3 LYS 50 -4.476 8.054 2.286
416 HE2 LYS 50 HE2 LYS 50 -2.401 7.978 1.034
417 HE3 LYS 50 HE3 LYS 50 -2.827 6.400 0.380
418 HZ1 LYS 50 HZ1 LYS 50 -4.417 8.867 -0.088
419 HZ2 LYS 50 HZ2 LYS 50 -4.613 7.364 -0.846
420 HZ3 LYS 50 HZ3 LYS 50 -3.230 8.286 -1.151
421 H GLU 51 H GLU 51 -5.740 4.719 6.312
422 HA GLU 51 HA GLU 51 -6.305 6.633 8.287
423 HB2 GLU 51 HB2 GLU 51 -7.310 3.806 7.947
424 HB3 GLU 51 HB3 GLU 51 -7.955 4.935 9.133
425 HG2 GLU 51 HG2 GLU 51 -8.489 6.481 7.240
426 HG3 GLU 51 HG3 GLU 51 -8.035 5.180 6.139
427 H HIS 52 H HIS 52 -4.541 3.608 8.430
428 HA HIS 52 HA HIS 52 -4.467 3.551 11.312
429 HB2 HIS 52 HB2 HIS 52 -4.510 1.495 9.938
430 HB3 HIS 52 HB3 HIS 52 -2.925 1.903 9.297
431 HD1 HIS 52 HD1 HIS 52 -4.582 0.993 12.588
432 HD2 HIS 52 HD2 HIS 52 -0.820 1.000 10.804
433 HE1 HIS 52 HE1 HIS 52 -3.080 -0.283 14.153
434 HE2 HIS 52 HE2 HIS 52 -0.860 -0.416 12.972
435 H LEU 53 H LEU 53 -2.355 4.666 8.739
436 HA LEU 53 HA LEU 53 -0.122 4.969 10.590
437 HB2 LEU 53 HB2 LEU 53 -0.344 5.508 7.632
438 HB3 LEU 53 HB3 LEU 53 1.114 5.764 8.569
439 HG LEU 53 HG LEU 53 -0.251 3.106 8.123
440 HD11 LEU 53 HD11 LEU 53 1.711 2.582 6.775
441 HD12 LEU 53 HD12 LEU 53 2.342 4.206 7.049
442 HD13 LEU 53 HD13 LEU 53 0.857 3.983 6.127
443 HD21 LEU 53 HD21 LEU 53 1.729 2.154 9.213
444 HD22 LEU 53 HD22 LEU 53 0.824 3.200 10.308
445 HD23 LEU 53 HD23 LEU 53 2.316 3.782 9.564
446 H GLY 54 H GLY 54 -2.214 7.040 8.594
447 HA2 GLY 54 HA2 GLY 54 -1.813 9.230 10.426
448 HA3 GLY 54 HA3 GLY 54 -1.042 9.472 8.865
449 H GLY 55 H GLY 55 -4.175 8.240 10.032
450 HA2 GLY 55 HA2 GLY 55 -5.578 9.388 7.796
451 HA3 GLY 55 HA3 GLY 55 -6.299 8.571 9.178
452 H LEU 56 H LEU 56 -4.890 11.588 8.074
453 HA LEU 56 HA LEU 56 -5.540 13.025 10.460
454 HB2 LEU 56 HB2 LEU 56 -4.754 14.083 7.745
455 HB3 LEU 56 HB3 LEU 56 -4.748 14.988 9.248
456 HG LEU 56 HG LEU 56 -2.949 12.673 8.532
457 HD11 LEU 56 HD11 LEU 56 -2.411 15.603 8.975
458 HD12 LEU 56 HD12 LEU 56 -2.321 14.734 7.442
459 HD13 LEU 56 HD13 LEU 56 -1.176 14.369 8.733
460 HD21 LEU 56 HD21 LEU 56 -1.858 13.085 10.686
461 HD22 LEU 56 HD22 LEU 56 -3.533 12.568 10.892
462 HD23 LEU 56 HD23 LEU 56 -3.104 14.268 11.088
463 H GLU 57 H GLU 57 -7.260 12.201 7.611
464 HA GLU 57 HA GLU 57 -9.142 14.354 7.755
465 HB2 GLU 57 HB2 GLU 57 -8.747 13.085 5.664
466 HB3 GLU 57 HB3 GLU 57 -9.427 11.652 6.421
467 HG2 GLU 57 HG2 GLU 57 -10.972 12.892 4.896
468 HG3 GLU 57 HG3 GLU 57 -11.586 12.623 6.527
469 H HIS 58 H HIS 58 -11.168 14.353 8.694
470 HA HIS 58 HA HIS 58 -11.245 12.615 11.041
471 HB2 HIS 58 HB2 HIS 58 -12.848 15.114 10.479
472 HB3 HIS 58 HB3 HIS 58 -12.717 14.275 12.020
473 HD1 HIS 58 HD1 HIS 58 -11.254 16.981 10.106
474 HD2 HIS 58 HD2 HIS 58 -9.949 14.383 13.081
475 HE1 HIS 58 HE1 HIS 58 -9.195 18.046 11.083
476 HE2 HIS 58 HE2 HIS 58 -8.543 16.560 13.008
477 H HIS 59 H HIS 59 -12.207 10.765 10.475
478 HA HIS 59 HA HIS 59 -13.807 9.265 9.910
479 HB2 HIS 59 HB2 HIS 59 -14.998 10.436 11.740
480 HB3 HIS 59 HB3 HIS 59 -15.717 11.520 10.554
481 HD1 HIS 59 HD1 HIS 59 -16.113 8.195 12.105
482 HD2 HIS 59 HD2 HIS 59 -17.643 10.251 8.825
483 HE1 HIS 59 HE1 HIS 59 -18.136 6.895 11.367
484 HE2 HIS 59 HE2 HIS 59 -18.949 8.061 9.286
485 H HIS 60 H HIS 60 -13.454 8.895 7.737
486 HA HIS 60 HA HIS 60 -14.448 10.600 5.700
487 HB2 HIS 60 HB2 HIS 60 -12.672 8.845 5.351
488 HB3 HIS 60 HB3 HIS 60 -13.947 7.631 5.432
489 HD1 HIS 60 HD1 HIS 60 -15.672 7.584 3.427
490 HD2 HIS 60 HD2 HIS 60 -12.496 10.233 2.961
491 HE1 HIS 60 HE1 HIS 60 -15.708 8.273 1.009
492 HE2 HIS 60 HE2 HIS 60 -13.891 10.000 0.790
493 H HIS 61 H HIS 61 -16.426 10.898 5.044
494 HA HIS 61 HA HIS 61 -18.471 8.889 5.718
495 HB2 HIS 61 HB2 HIS 61 -20.107 10.791 5.717
496 HB3 HIS 61 HB3 HIS 61 -18.912 10.878 7.005
497 HD1 HIS 61 HD1 HIS 61 -20.351 12.811 4.275
498 HD2 HIS 61 HD2 HIS 61 -16.815 12.828 6.468
499 HE1 HIS 61 HE1 HIS 61 -19.299 15.058 3.857
500 HE2 HIS 61 HE2 HIS 61 -17.157 15.052 5.197
501 H HIS 62 H HIS 62 -20.429 9.090 4.195
502 HA HIS 62 HA HIS 62 -19.456 8.509 1.593
503 HB2 HIS 62 HB2 HIS 62 -21.591 7.642 2.822
504 HB3 HIS 62 HB3 HIS 62 -22.353 9.086 2.162
505 HD1 HIS 62 HD1 HIS 62 -22.373 9.247 -0.532
506 HD2 HIS 62 HD2 HIS 62 -21.327 5.560 1.092
507 HE1 HIS 62 HE1 HIS 62 -22.609 7.588 -2.403
508 HE2 HIS 62 HE2 HIS 62 -22.205 5.343 -1.331
509 H HIS 63 H HIS 63 -18.964 9.888 0.030
510 HA HIS 63 HA HIS 63 -20.399 12.423 -0.173
511 HB2 HIS 63 HB2 HIS 63 -18.370 12.838 1.222
512 HB3 HIS 63 HB3 HIS 63 -17.376 12.274 -0.118
513 HD1 HIS 63 HD1 HIS 63 -16.808 13.936 -1.912
514 HD2 HIS 63 HD2 HIS 63 -19.765 15.304 0.674
515 HE1 HIS 63 HE1 HIS 63 -17.139 16.367 -2.482
516 HE2 HIS 63 HE2 HIS 63 -19.046 17.128 -1.016
Start of MODEL 7
1 H1 MET 1 H1 MET 1 11.394 -7.672 -3.644
2 H2 MET 1 H2 MET 1 12.620 -8.612 -4.355
3 H3 MET 1 H3 MET 1 12.941 -7.717 -2.955
4 HA MET 1 HA MET 1 10.996 -9.935 -3.102
5 HB2 MET 1 HB2 MET 1 13.323 -10.715 -3.417
6 HB3 MET 1 HB3 MET 1 13.787 -9.900 -1.928
7 HG2 MET 1 HG2 MET 1 13.509 -12.246 -1.507
8 HG3 MET 1 HG3 MET 1 12.241 -11.347 -0.677
9 HE1 MET 1 HE1 MET 1 10.383 -14.648 -1.609
10 HE2 MET 1 HE2 MET 1 10.780 -13.508 -0.322
11 HE3 MET 1 HE3 MET 1 12.056 -14.466 -1.078
12 H GLY 2 H GLY 2 9.479 -9.536 -1.654
13 HA2 GLY 2 HA2 GLY 2 9.359 -9.578 0.914
14 HA3 GLY 2 HA3 GLY 2 10.215 -8.047 0.789
15 H GLU 3 H GLU 3 8.710 -7.376 -1.688
16 HA GLU 3 HA GLU 3 6.517 -6.041 -0.423
17 HB2 GLU 3 HB2 GLU 3 7.296 -6.243 -3.340
18 HB3 GLU 3 HB3 GLU 3 6.090 -5.139 -2.689
19 HG2 GLU 3 HG2 GLU 3 7.729 -3.915 -1.492
20 HG3 GLU 3 HG3 GLU 3 8.958 -5.142 -1.790
21 H LEU 4 H LEU 4 4.279 -6.248 -1.011
22 HA LEU 4 HA LEU 4 3.579 -9.045 -1.424
23 HB2 LEU 4 HB2 LEU 4 1.963 -6.654 -0.561
24 HB3 LEU 4 HB3 LEU 4 1.286 -8.257 -0.779
25 HG LEU 4 HG LEU 4 3.443 -7.529 1.206
26 HD11 LEU 4 HD11 LEU 4 0.535 -8.197 1.630
27 HD12 LEU 4 HD12 LEU 4 1.248 -6.591 1.763
28 HD13 LEU 4 HD13 LEU 4 1.725 -7.862 2.887
29 HD21 LEU 4 HD21 LEU 4 1.936 -10.105 0.782
30 HD22 LEU 4 HD22 LEU 4 3.094 -9.781 2.073
31 HD23 LEU 4 HD23 LEU 4 3.633 -9.824 0.392
32 H SER 5 H SER 5 1.082 -8.928 -2.422
33 HA SER 5 HA SER 5 1.607 -8.323 -5.213
34 HB2 SER 5 HB2 SER 5 0.605 -10.517 -4.432
35 HB3 SER 5 HB3 SER 5 -0.860 -9.620 -4.033
36 HG SER 5 HG SER 5 0.353 -9.657 -6.600
37 H TRP 6 H TRP 6 1.320 -6.253 -5.683
38 HA TRP 6 HA TRP 6 -0.931 -4.798 -4.541
39 HB2 TRP 6 HB2 TRP 6 1.538 -3.938 -6.037
40 HB3 TRP 6 HB3 TRP 6 0.197 -2.835 -5.743
41 HD1 TRP 6 HD1 TRP 6 2.515 -5.127 -3.603
42 HE1 TRP 6 HE1 TRP 6 2.966 -3.919 -1.368
43 HE3 TRP 6 HE3 TRP 6 -0.381 -0.977 -4.349
44 HZ2 TRP 6 HZ2 TRP 6 2.185 -1.514 -0.113
45 HZ3 TRP 6 HZ3 TRP 6 -0.476 0.729 -2.576
46 HH2 TRP 6 HH2 TRP 6 0.781 0.463 -0.504
47 H THR 7 H THR 7 -2.672 -4.193 -5.648
48 HA THR 7 HA THR 7 -2.978 -5.201 -8.353
49 HB THR 7 HB THR 7 -5.370 -4.393 -8.016
50 HG1 THR 7 HG1 THR 7 -5.482 -4.360 -5.418
51 HG21 THR 7 HG21 THR 7 -4.734 -6.734 -7.732
52 HG22 THR 7 HG22 THR 7 -5.941 -6.272 -6.533
53 HG23 THR 7 HG23 THR 7 -4.244 -6.413 -6.070
54 H ALA 8 H ALA 8 -4.387 -3.718 -9.817
55 HA ALA 8 HA ALA 8 -2.809 -1.481 -10.498
56 HB1 ALA 8 HB1 ALA 8 -4.511 -1.011 -12.181
57 HB2 ALA 8 HB2 ALA 8 -5.612 -2.147 -11.401
58 HB3 ALA 8 HB3 ALA 8 -4.123 -2.729 -12.145
59 H GLU 9 H GLU 9 -5.854 -1.800 -8.739
60 HA GLU 9 HA GLU 9 -6.489 0.940 -8.609
61 HB2 GLU 9 HB2 GLU 9 -7.915 0.277 -6.660
62 HB3 GLU 9 HB3 GLU 9 -8.195 -0.652 -8.124
63 HG2 GLU 9 HG2 GLU 9 -6.902 -2.494 -7.230
64 HG3 GLU 9 HG3 GLU 9 -6.547 -1.564 -5.776
65 H ALA 10 H ALA 10 -4.457 -1.107 -6.606
66 HA ALA 10 HA ALA 10 -4.057 0.834 -4.550
67 HB1 ALA 10 HB1 ALA 10 -2.430 -1.610 -5.245
68 HB2 ALA 10 HB2 ALA 10 -3.795 -1.557 -4.130
69 HB3 ALA 10 HB3 ALA 10 -2.314 -0.677 -3.753
70 H GLU 11 H GLU 11 -2.042 -0.324 -7.251
71 HA GLU 11 HA GLU 11 0.099 1.445 -6.800
72 HB2 GLU 11 HB2 GLU 11 -0.788 -0.263 -9.066
73 HB3 GLU 11 HB3 GLU 11 0.420 0.972 -9.392
74 HG2 GLU 11 HG2 GLU 11 0.670 -1.140 -7.258
75 HG3 GLU 11 HG3 GLU 11 1.386 -1.241 -8.866
76 H LYS 12 H LYS 12 -2.904 1.848 -8.557
77 HA LYS 12 HA LYS 12 -2.185 4.209 -9.953
78 HB2 LYS 12 HB2 LYS 12 -4.179 2.701 -10.397
79 HB3 LYS 12 HB3 LYS 12 -4.949 3.441 -9.004
80 HG2 LYS 12 HG2 LYS 12 -4.872 5.615 -10.101
81 HG3 LYS 12 HG3 LYS 12 -4.076 4.885 -11.499
82 HD2 LYS 12 HD2 LYS 12 -6.047 3.388 -11.768
83 HD3 LYS 12 HD3 LYS 12 -6.842 4.262 -10.461
84 HE2 LYS 12 HE2 LYS 12 -7.616 5.073 -12.608
85 HE3 LYS 12 HE3 LYS 12 -6.702 6.329 -11.775
86 HZ1 LYS 12 HZ1 LYS 12 -6.141 6.160 -14.139
87 HZ2 LYS 12 HZ2 LYS 12 -5.608 4.564 -13.901
88 HZ3 LYS 12 HZ3 LYS 12 -4.803 5.851 -13.146
89 H MET 13 H MET 13 -3.510 3.590 -6.763
90 HA MET 13 HA MET 13 -3.880 6.385 -6.160
91 HB2 MET 13 HB2 MET 13 -4.051 3.886 -4.480
92 HB3 MET 13 HB3 MET 13 -4.335 5.500 -3.837
93 HG2 MET 13 HG2 MET 13 -6.207 5.818 -5.276
94 HG3 MET 13 HG3 MET 13 -5.857 4.328 -6.146
95 HE1 MET 13 HE1 MET 13 -6.946 5.826 -2.650
96 HE2 MET 13 HE2 MET 13 -5.589 4.772 -2.255
97 HE3 MET 13 HE3 MET 13 -7.217 4.342 -1.735
98 H LEU 14 H LEU 14 -1.508 3.891 -5.474
99 HA LEU 14 HA LEU 14 0.052 5.509 -3.699
100 HB2 LEU 14 HB2 LEU 14 0.032 3.054 -3.585
101 HB3 LEU 14 HB3 LEU 14 0.760 2.974 -5.178
102 HG LEU 14 HG LEU 14 2.791 4.056 -4.285
103 HD11 LEU 14 HD11 LEU 14 3.071 4.318 -1.878
104 HD12 LEU 14 HD12 LEU 14 1.399 3.818 -1.624
105 HD13 LEU 14 HD13 LEU 14 1.748 5.325 -2.470
106 HD21 LEU 14 HD21 LEU 14 3.556 2.157 -2.936
107 HD22 LEU 14 HD22 LEU 14 2.660 1.633 -4.363
108 HD23 LEU 14 HD23 LEU 14 1.887 1.610 -2.778
109 H GLY 15 H GLY 15 -0.288 5.327 -7.067
110 HA2 GLY 15 HA2 GLY 15 2.289 5.955 -7.977
111 HA3 GLY 15 HA3 GLY 15 0.793 6.325 -8.817
112 H LYS 16 H LYS 16 -0.040 7.899 -6.362
113 HA LYS 16 HA LYS 16 0.843 10.460 -7.165
114 HB2 LYS 16 HB2 LYS 16 -0.496 9.465 -4.653
115 HB3 LYS 16 HB3 LYS 16 -0.129 11.162 -4.923
116 HG2 LYS 16 HG2 LYS 16 -1.886 9.470 -6.692
117 HG3 LYS 16 HG3 LYS 16 -2.457 10.606 -5.464
118 HD2 LYS 16 HD2 LYS 16 -1.271 12.422 -6.671
119 HD3 LYS 16 HD3 LYS 16 -0.847 11.265 -7.932
120 HE2 LYS 16 HE2 LYS 16 -2.782 12.557 -8.603
121 HE3 LYS 16 HE3 LYS 16 -3.238 10.872 -8.346
122 HZ1 LYS 16 HZ1 LYS 16 -3.605 13.005 -6.309
123 HZ2 LYS 16 HZ2 LYS 16 -4.218 11.419 -6.264
124 HZ3 LYS 16 HZ3 LYS 16 -4.815 12.527 -7.398
125 H VAL 17 H VAL 17 2.187 8.095 -5.063
126 HA VAL 17 HA VAL 17 3.786 9.933 -3.525
127 HB VAL 17 HB VAL 17 3.861 6.914 -3.697
128 HG11 VAL 17 HG11 VAL 17 5.129 7.006 -1.610
129 HG12 VAL 17 HG12 VAL 17 5.151 8.767 -1.693
130 HG13 VAL 17 HG13 VAL 17 5.993 7.815 -2.918
131 HG21 VAL 17 HG21 VAL 17 2.602 8.749 -1.661
132 HG22 VAL 17 HG22 VAL 17 2.668 6.990 -1.558
133 HG23 VAL 17 HG23 VAL 17 1.745 7.764 -2.847
134 HA PRO 18 HA PRO 18 7.010 10.222 -6.626
135 HB2 PRO 18 HB2 PRO 18 8.517 11.381 -4.357
136 HB3 PRO 18 HB3 PRO 18 8.154 12.080 -5.937
137 HG2 PRO 18 HG2 PRO 18 6.923 12.954 -3.738
138 HG3 PRO 18 HG3 PRO 18 6.058 12.817 -5.280
139 HD2 PRO 18 HD2 PRO 18 6.004 10.986 -2.912
140 HD3 PRO 18 HD3 PRO 18 4.664 11.533 -3.941
141 H PHE 19 H PHE 19 9.199 9.470 -6.894
142 HA PHE 19 HA PHE 19 9.368 6.815 -5.878
143 HB2 PHE 19 HB2 PHE 19 10.033 7.748 -8.205
144 HB3 PHE 19 HB3 PHE 19 11.563 8.152 -7.432
145 HD1 PHE 19 HD1 PHE 19 9.240 5.342 -8.061
146 HD2 PHE 19 HD2 PHE 19 13.236 6.546 -7.236
147 HE1 PHE 19 HE1 PHE 19 10.010 3.033 -8.439
148 HE2 PHE 19 HE2 PHE 19 14.014 4.241 -7.609
149 HZ PHE 19 HZ PHE 19 12.397 2.481 -8.210
150 H PHE 20 H PHE 20 10.470 9.739 -4.647
151 HA PHE 20 HA PHE 20 12.898 8.980 -3.430
152 HB2 PHE 20 HB2 PHE 20 10.829 10.943 -2.414
153 HB3 PHE 20 HB3 PHE 20 12.499 10.835 -1.872
154 HD1 PHE 20 HD2 PHE 20 14.320 11.557 -3.334
155 HD2 PHE 20 HD1 PHE 20 10.244 11.995 -4.453
156 HE1 PHE 20 HE2 PHE 20 14.980 13.156 -5.086
157 HE2 PHE 20 HE1 PHE 20 10.891 13.595 -6.209
158 HZ PHE 20 HZ PHE 20 13.264 14.178 -6.524
159 H VAL 21 H VAL 21 9.541 8.837 -2.330
160 HA VAL 21 HA VAL 21 10.420 7.148 -0.078
161 HB VAL 21 HB VAL 21 8.544 8.022 1.223
162 HG11 VAL 21 HG11 VAL 21 10.248 10.209 0.030
163 HG12 VAL 21 HG12 VAL 21 10.694 9.161 1.377
164 HG13 VAL 21 HG13 VAL 21 9.367 10.307 1.556
165 HG21 VAL 21 HG21 VAL 21 7.211 9.908 0.417
166 HG22 VAL 21 HG22 VAL 21 7.001 8.495 -0.617
167 HG23 VAL 21 HG23 VAL 21 8.029 9.827 -1.144
168 H ARG 22 H ARG 22 9.177 6.835 -2.948
169 HA ARG 22 HA ARG 22 6.633 5.754 -2.803
170 HB2 ARG 22 HB2 ARG 22 7.797 6.329 -4.896
171 HB3 ARG 22 HB3 ARG 22 8.886 4.972 -4.663
172 HG2 ARG 22 HG2 ARG 22 7.233 4.399 -6.299
173 HG3 ARG 22 HG3 ARG 22 6.963 3.439 -4.847
174 HD2 ARG 22 HD2 ARG 22 4.964 4.395 -4.430
175 HD3 ARG 22 HD3 ARG 22 5.498 5.987 -4.973
176 HE ARG 22 HE ARG 22 4.749 5.506 -7.092
177 HH11 ARG 22 HH11 ARG 22 4.712 2.544 -5.207
178 HH12 ARG 22 HH12 ARG 22 3.813 1.652 -6.401
179 HH21 ARG 22 HH21 ARG 22 3.599 4.315 -8.658
180 HH22 ARG 22 HH22 ARG 22 3.208 2.638 -8.350
181 H LYS 23 H LYS 23 9.767 4.091 -2.540
182 HA LYS 23 HA LYS 23 8.590 1.513 -2.213
183 HB2 LYS 23 HB2 LYS 23 10.873 1.796 -3.075
184 HB3 LYS 23 HB3 LYS 23 11.379 2.466 -1.528
185 HG2 LYS 23 HG2 LYS 23 10.943 0.351 -0.431
186 HG3 LYS 23 HG3 LYS 23 10.326 -0.330 -1.938
187 HD2 LYS 23 HD2 LYS 23 13.137 0.668 -1.503
188 HD3 LYS 23 HD3 LYS 23 12.642 -1.024 -1.456
189 HE2 LYS 23 HE2 LYS 23 12.421 0.827 -3.829
190 HE3 LYS 23 HE3 LYS 23 13.619 -0.449 -3.620
191 HZ1 LYS 23 HZ1 LYS 23 11.822 -2.075 -3.615
192 HZ2 LYS 23 HZ2 LYS 23 11.812 -1.165 -5.046
193 HZ3 LYS 23 HZ3 LYS 23 10.678 -0.842 -3.829
194 H LYS 24 H LYS 24 9.689 4.028 -0.018
195 HA LYS 24 HA LYS 24 9.647 2.484 2.344
196 HB2 LYS 24 HB2 LYS 24 10.772 4.690 2.152
197 HB3 LYS 24 HB3 LYS 24 9.191 5.460 2.065
198 HG2 LYS 24 HG2 LYS 24 8.687 4.447 4.304
199 HG3 LYS 24 HG3 LYS 24 10.385 3.971 4.385
200 HD2 LYS 24 HD2 LYS 24 11.046 6.321 4.154
201 HD3 LYS 24 HD3 LYS 24 9.346 6.790 4.095
202 HE2 LYS 24 HE2 LYS 24 9.079 5.708 6.346
203 HE3 LYS 24 HE3 LYS 24 10.833 5.535 6.391
204 HZ1 LYS 24 HZ1 LYS 24 11.035 7.941 6.190
205 HZ2 LYS 24 HZ2 LYS 24 10.128 7.517 7.561
206 HZ3 LYS 24 HZ3 LYS 24 9.344 8.095 6.170
207 H VAL 25 H VAL 25 7.233 4.680 0.907
208 HA VAL 25 HA VAL 25 5.242 4.241 2.858
209 HB VAL 25 HB VAL 25 4.909 5.034 -0.045
210 HG11 VAL 25 HG11 VAL 25 2.830 4.167 0.923
211 HG12 VAL 25 HG12 VAL 25 2.729 5.896 0.602
212 HG13 VAL 25 HG13 VAL 25 2.972 5.319 2.249
213 HG21 VAL 25 HG21 VAL 25 6.310 6.594 1.177
214 HG22 VAL 25 HG22 VAL 25 5.101 6.708 2.458
215 HG23 VAL 25 HG23 VAL 25 4.738 7.322 0.843
216 H ARG 26 H ARG 26 5.926 2.671 -0.239
217 HA ARG 26 HA ARG 26 3.749 0.920 -0.317
218 HB2 ARG 26 HB2 ARG 26 5.649 1.416 -2.054
219 HB3 ARG 26 HB3 ARG 26 6.464 0.071 -1.270
220 HG2 ARG 26 HG2 ARG 26 4.566 -1.379 -1.785
221 HG3 ARG 26 HG3 ARG 26 3.753 -0.028 -2.578
222 HD2 ARG 26 HD2 ARG 26 5.947 0.104 -3.981
223 HD3 ARG 26 HD3 ARG 26 6.176 -1.557 -3.442
224 HE ARG 26 HE ARG 26 3.793 -0.653 -4.949
225 HH11 ARG 26 HH11 ARG 26 6.304 -3.017 -4.300
226 HH12 ARG 26 HH12 ARG 26 5.729 -4.127 -5.516
227 HH21 ARG 26 HH21 ARG 26 3.077 -2.082 -6.551
228 HH22 ARG 26 HH22 ARG 26 3.910 -3.586 -6.807
229 H LYS 27 H LYS 27 6.975 0.521 1.082
230 HA LYS 27 HA LYS 27 6.674 -2.118 1.986
231 HB2 LYS 27 HB2 LYS 27 8.830 -0.891 1.739
232 HB3 LYS 27 HB3 LYS 27 8.419 0.049 3.164
233 HG2 LYS 27 HG2 LYS 27 8.494 -1.905 4.550
234 HG3 LYS 27 HG3 LYS 27 8.711 -2.943 3.140
235 HD2 LYS 27 HD2 LYS 27 10.854 -1.841 2.673
236 HD3 LYS 27 HD3 LYS 27 10.638 -0.832 4.105
237 HE2 LYS 27 HE2 LYS 27 10.683 -2.781 5.531
238 HE3 LYS 27 HE3 LYS 27 10.770 -3.843 4.127
239 HZ1 LYS 27 HZ1 LYS 27 12.919 -2.919 3.580
240 HZ2 LYS 27 HZ2 LYS 27 12.935 -3.520 5.166
241 HZ3 LYS 27 HZ3 LYS 27 12.833 -1.845 4.892
242 H ASN 28 H ASN 28 5.795 0.960 3.435
243 HA ASN 28 HA ASN 28 5.212 -0.012 6.019
244 HB2 ASN 28 HB2 ASN 28 4.197 2.376 4.484
245 HB3 ASN 28 HB3 ASN 28 3.619 2.001 6.104
246 HD21 ASN 28 HD21 ASN 28 5.106 4.319 5.188
247 HD22 ASN 28 HD22 ASN 28 6.555 4.357 6.126
248 H THR 29 H THR 29 3.231 0.297 3.105
249 HA THR 29 HA THR 29 0.872 -0.740 4.311
250 HB THR 29 HB THR 29 0.726 -1.294 1.594
251 HG1 THR 29 HG1 THR 29 2.592 -0.131 1.157
252 HG21 THR 29 HG21 THR 29 -1.050 -0.332 2.951
253 HG22 THR 29 HG22 THR 29 -0.750 0.669 1.530
254 HG23 THR 29 HG23 THR 29 -0.138 1.167 3.108
255 H ASP 30 H ASP 30 3.523 -2.180 2.442
256 HA ASP 30 HA ASP 30 2.478 -4.749 2.147
257 HB2 ASP 30 HB2 ASP 30 5.338 -3.847 2.537
258 HB3 ASP 30 HB3 ASP 30 4.900 -5.521 2.224
259 H ASN 31 H ASN 31 4.472 -3.419 4.768
260 HA ASN 31 HA ASN 31 4.286 -5.721 6.403
261 HB2 ASN 31 HB2 ASN 31 5.038 -2.863 6.966
262 HB3 ASN 31 HB3 ASN 31 4.932 -4.051 8.262
263 HD21 ASN 31 HD21 ASN 31 7.250 -2.596 7.307
264 HD22 ASN 31 HD22 ASN 31 8.400 -3.793 6.798
265 H TYR 32 H TYR 32 2.153 -3.023 5.864
266 HA TYR 32 HA TYR 32 0.626 -3.377 8.260
267 HB2 TYR 32 HB2 TYR 32 0.573 -1.247 7.062
268 HB3 TYR 32 HB3 TYR 32 -0.097 -2.035 5.640
269 HD1 TYR 32 HD1 TYR 32 -0.808 -1.120 9.160
270 HD2 TYR 32 HD2 TYR 32 -2.438 -2.370 5.431
271 HE1 TYR 32 HE1 TYR 32 -3.071 -0.658 9.997
272 HE2 TYR 32 HE2 TYR 32 -4.707 -1.909 6.265
273 HH TYR 32 HH TYR 32 -5.849 -1.774 8.519
274 H ALA 33 H ALA 33 0.254 -4.396 4.895
275 HA ALA 33 HA ALA 33 -2.146 -5.844 5.321
276 HB1 ALA 33 HB1 ALA 33 -1.443 -5.012 3.118
277 HB2 ALA 33 HB2 ALA 33 -1.787 -6.743 3.104
278 HB3 ALA 33 HB3 ALA 33 -0.116 -6.175 3.121
279 H ARG 34 H ARG 34 1.281 -6.798 5.196
280 HA ARG 34 HA ARG 34 0.994 -9.547 5.552
281 HB2 ARG 34 HB2 ARG 34 3.116 -7.638 6.516
282 HB3 ARG 34 HB3 ARG 34 3.220 -9.369 6.800
283 HG2 ARG 34 HG2 ARG 34 3.154 -9.756 4.389
284 HG3 ARG 34 HG3 ARG 34 3.097 -8.012 4.124
285 HD2 ARG 34 HD2 ARG 34 5.373 -8.880 3.864
286 HD3 ARG 34 HD3 ARG 34 5.259 -7.762 5.224
287 HE ARG 34 HE ARG 34 5.171 -10.688 5.616
288 HH11 ARG 34 HH11 ARG 34 6.608 -7.560 6.319
289 HH12 ARG 34 HH12 ARG 34 7.539 -8.164 7.653
290 HH21 ARG 34 HH21 ARG 34 6.379 -11.456 7.392
291 HH22 ARG 34 HH22 ARG 34 7.440 -10.363 8.240
292 H GLU 35 H GLU 35 0.797 -6.927 7.838
293 HA GLU 35 HA GLU 35 1.009 -8.516 10.165
294 HB2 GLU 35 HB2 GLU 35 1.409 -6.008 9.943
295 HB3 GLU 35 HB3 GLU 35 -0.339 -5.826 9.971
296 HG2 GLU 35 HG2 GLU 35 0.584 -5.421 12.163
297 HG3 GLU 35 HG3 GLU 35 -0.409 -6.879 12.177
298 H ILE 36 H ILE 36 -1.652 -7.475 8.149
299 HA ILE 36 HA ILE 36 -3.576 -8.609 10.041
300 HB ILE 36 HB ILE 36 -5.311 -7.506 8.662
301 HG12 ILE 36 HG12 ILE 36 -2.936 -6.364 7.163
302 HG13 ILE 36 HG13 ILE 36 -4.140 -7.468 6.507
303 HG21 ILE 36 HG21 ILE 36 -3.108 -5.711 9.669
304 HG22 ILE 36 HG22 ILE 36 -4.432 -6.384 10.618
305 HG23 ILE 36 HG23 ILE 36 -4.766 -5.204 9.350
306 HD11 ILE 36 HD11 ILE 36 -4.529 -5.183 5.775
307 HD12 ILE 36 HD12 ILE 36 -4.662 -4.655 7.452
308 HD13 ILE 36 HD13 ILE 36 -5.861 -5.759 6.775
309 H GLY 37 H GLY 37 -1.768 -9.782 7.654
310 HA2 GLY 37 HA2 GLY 37 -2.002 -12.049 7.004
311 HA3 GLY 37 HA3 GLY 37 -3.742 -11.893 7.168
312 H GLU 38 H GLU 38 -3.494 -9.285 5.596
313 HA GLU 38 HA GLU 38 -4.409 -10.265 3.155
314 HB2 GLU 38 HB2 GLU 38 -3.198 -7.569 3.775
315 HB3 GLU 38 HB3 GLU 38 -4.117 -7.950 2.328
316 HG2 GLU 38 HG2 GLU 38 -5.189 -8.088 5.134
317 HG3 GLU 38 HG3 GLU 38 -5.416 -6.738 4.023
318 HA PRO 39 HA PRO 39 -0.418 -11.022 1.189
319 HB2 PRO 39 HB2 PRO 39 -1.328 -12.692 -0.704
320 HB3 PRO 39 HB3 PRO 39 -1.113 -13.217 0.970
321 HG2 PRO 39 HG2 PRO 39 -3.612 -12.508 -0.490
322 HG3 PRO 39 HG3 PRO 39 -3.341 -13.750 0.745
323 HD2 PRO 39 HD2 PRO 39 -4.473 -11.236 1.189
324 HD3 PRO 39 HD3 PRO 39 -3.805 -12.305 2.436
325 H VAL 40 H VAL 40 -3.418 -9.856 -0.114
326 HA VAL 40 HA VAL 40 -1.990 -8.660 -2.395
327 HB VAL 40 HB VAL 40 -4.916 -9.419 -2.239
328 HG11 VAL 40 HG11 VAL 40 -4.987 -8.822 -4.616
329 HG12 VAL 40 HG12 VAL 40 -3.312 -8.277 -4.524
330 HG13 VAL 40 HG13 VAL 40 -4.563 -7.436 -3.609
331 HG21 VAL 40 HG21 VAL 40 -3.517 -11.384 -2.432
332 HG22 VAL 40 HG22 VAL 40 -2.644 -10.660 -3.784
333 HG23 VAL 40 HG23 VAL 40 -4.347 -11.086 -3.960
334 H VAL 41 H VAL 41 -1.836 -6.519 -2.314
335 HA VAL 41 HA VAL 41 -3.401 -5.073 -0.323
336 HB VAL 41 HB VAL 41 -1.156 -4.058 -2.075
337 HG11 VAL 41 HG11 VAL 41 -2.434 -2.861 0.384
338 HG12 VAL 41 HG12 VAL 41 -2.642 -2.290 -1.272
339 HG13 VAL 41 HG13 VAL 41 -1.059 -2.192 -0.497
340 HG21 VAL 41 HG21 VAL 41 -1.103 -5.008 0.788
341 HG22 VAL 41 HG22 VAL 41 0.239 -4.245 -0.063
342 HG23 VAL 41 HG23 VAL 41 -0.362 -5.815 -0.596
343 H THR 42 H THR 42 -5.328 -4.436 -0.976
344 HA THR 42 HA THR 42 -5.731 -3.459 -3.701
345 HB THR 42 HB THR 42 -8.161 -3.389 -2.979
346 HG1 THR 42 HG1 THR 42 -7.772 -5.153 -0.916
347 HG21 THR 42 HG21 THR 42 -7.259 -5.253 -4.286
348 HG22 THR 42 HG22 THR 42 -8.459 -5.825 -3.126
349 HG23 THR 42 HG23 THR 42 -6.741 -6.055 -2.802
350 H ALA 43 H ALA 43 -7.399 -1.514 -3.723
351 HA ALA 43 HA ALA 43 -6.144 0.753 -2.652
352 HB1 ALA 43 HB1 ALA 43 -8.129 1.971 -3.386
353 HB2 ALA 43 HB2 ALA 43 -8.991 0.447 -3.601
354 HB3 ALA 43 HB3 ALA 43 -7.598 0.822 -4.614
355 H ASP 44 H ASP 44 -8.747 -1.262 -1.486
356 HA ASP 44 HA ASP 44 -9.627 0.342 0.645
357 HB2 ASP 44 HB2 ASP 44 -10.974 -1.512 -0.068
358 HB3 ASP 44 HB3 ASP 44 -9.671 -2.654 0.236
359 H VAL 45 H VAL 45 -7.237 -2.293 0.550
360 HA VAL 45 HA VAL 45 -6.468 -2.176 3.245
361 HB VAL 45 HB VAL 45 -4.764 -2.950 0.867
362 HG11 VAL 45 HG11 VAL 45 -4.449 -3.678 3.779
363 HG12 VAL 45 HG12 VAL 45 -3.455 -2.513 2.905
364 HG13 VAL 45 HG13 VAL 45 -3.424 -4.216 2.448
365 HG21 VAL 45 HG21 VAL 45 -5.434 -5.245 1.388
366 HG22 VAL 45 HG22 VAL 45 -6.826 -4.243 0.977
367 HG23 VAL 45 HG23 VAL 45 -6.496 -4.646 2.663
368 H PHE 46 H PHE 46 -5.201 -0.509 0.389
369 HA PHE 46 HA PHE 46 -3.079 0.829 1.651
370 HB2 PHE 46 HB2 PHE 46 -3.256 0.632 -0.789
371 HB3 PHE 46 HB3 PHE 46 -4.687 1.657 -0.778
372 HD1 PHE 46 HD1 PHE 46 -1.142 1.733 0.382
373 HD2 PHE 46 HD2 PHE 46 -4.416 3.869 -1.292
374 HE1 PHE 46 HE1 PHE 46 0.289 3.717 0.131
375 HE2 PHE 46 HE2 PHE 46 -2.995 5.860 -1.548
376 HZ PHE 46 HZ PHE 46 -0.636 5.784 -0.837
377 H ARG 47 H ARG 47 -6.454 1.780 1.125
378 HA ARG 47 HA ARG 47 -6.179 4.406 2.127
379 HB2 ARG 47 HB2 ARG 47 -8.101 3.461 0.743
380 HB3 ARG 47 HB3 ARG 47 -8.714 2.779 2.245
381 HG2 ARG 47 HG2 ARG 47 -8.742 5.070 3.204
382 HG3 ARG 47 HG3 ARG 47 -8.288 5.689 1.616
383 HD2 ARG 47 HD2 ARG 47 -10.634 5.908 1.758
384 HD3 ARG 47 HD3 ARG 47 -10.330 4.521 0.713
385 HE ARG 47 HE ARG 47 -10.971 3.083 2.526
386 HH11 ARG 47 HH11 ARG 47 -11.535 6.491 3.083
387 HH12 ARG 47 HH12 ARG 47 -12.783 6.228 4.268
388 HH21 ARG 47 HH21 ARG 47 -12.595 2.715 4.086
389 HH22 ARG 47 HH22 ARG 47 -13.373 4.073 4.861
390 H LYS 48 H LYS 48 -7.194 1.374 3.667
391 HA LYS 48 HA LYS 48 -7.790 2.450 6.196
392 HB2 LYS 48 HB2 LYS 48 -6.854 -0.319 5.430
393 HB3 LYS 48 HB3 LYS 48 -7.446 0.117 7.029
394 HG2 LYS 48 HG2 LYS 48 -9.611 0.676 6.110
395 HG3 LYS 48 HG3 LYS 48 -9.027 0.347 4.480
396 HD2 LYS 48 HD2 LYS 48 -9.271 -1.658 6.723
397 HD3 LYS 48 HD3 LYS 48 -10.338 -1.523 5.326
398 HE2 LYS 48 HE2 LYS 48 -8.192 -1.849 3.935
399 HE3 LYS 48 HE3 LYS 48 -7.490 -2.447 5.440
400 HZ1 LYS 48 HZ1 LYS 48 -9.420 -4.020 5.539
401 HZ2 LYS 48 HZ2 LYS 48 -8.336 -4.309 4.265
402 HZ3 LYS 48 HZ3 LYS 48 -9.816 -3.538 3.958
403 H ALA 49 H ALA 49 -4.776 1.412 4.740
404 HA ALA 49 HA ALA 49 -3.190 1.504 7.075
405 HB1 ALA 49 HB1 ALA 49 -2.380 1.950 4.205
406 HB2 ALA 49 HB2 ALA 49 -2.428 0.401 5.044
407 HB3 ALA 49 HB3 ALA 49 -1.280 1.639 5.547
408 H LYS 50 H LYS 50 -3.957 3.937 4.604
409 HA LYS 50 HA LYS 50 -2.316 5.995 5.562
410 HB2 LYS 50 HB2 LYS 50 -4.984 6.224 4.155
411 HB3 LYS 50 HB3 LYS 50 -3.834 7.537 4.365
412 HG2 LYS 50 HG2 LYS 50 -2.186 6.240 3.048
413 HG3 LYS 50 HG3 LYS 50 -3.428 5.020 2.765
414 HD2 LYS 50 HD2 LYS 50 -3.368 6.449 0.849
415 HD3 LYS 50 HD3 LYS 50 -4.845 6.815 1.742
416 HE2 LYS 50 HE2 LYS 50 -3.768 8.765 2.735
417 HE3 LYS 50 HE3 LYS 50 -2.269 8.380 1.894
418 HZ1 LYS 50 HZ1 LYS 50 -3.573 8.612 -0.222
419 HZ2 LYS 50 HZ2 LYS 50 -3.331 10.046 0.650
420 HZ3 LYS 50 HZ3 LYS 50 -4.836 9.267 0.707
421 H GLU 51 H GLU 51 -5.612 5.080 6.435
422 HA GLU 51 HA GLU 51 -5.990 7.277 8.221
423 HB2 GLU 51 HB2 GLU 51 -7.476 4.652 8.014
424 HB3 GLU 51 HB3 GLU 51 -8.004 6.047 8.948
425 HG2 GLU 51 HG2 GLU 51 -7.647 5.960 5.955
426 HG3 GLU 51 HG3 GLU 51 -9.181 5.872 6.817
427 H HIS 52 H HIS 52 -4.946 3.926 8.560
428 HA HIS 52 HA HIS 52 -4.898 3.805 11.373
429 HB2 HIS 52 HB2 HIS 52 -4.727 1.807 9.938
430 HB3 HIS 52 HB3 HIS 52 -3.154 2.345 9.370
431 HD1 HIS 52 HD1 HIS 52 -4.750 0.311 11.938
432 HD2 HIS 52 HD2 HIS 52 -1.131 2.324 11.490
433 HE1 HIS 52 HE1 HIS 52 -3.203 -0.670 13.664
434 HE2 HIS 52 HE2 HIS 52 -1.000 0.515 13.337
435 H LEU 53 H LEU 53 -2.449 4.789 9.012
436 HA LEU 53 HA LEU 53 -0.454 5.296 11.023
437 HB2 LEU 53 HB2 LEU 53 -0.509 6.149 8.127
438 HB3 LEU 53 HB3 LEU 53 0.890 6.171 9.183
439 HG LEU 53 HG LEU 53 -0.571 3.693 8.260
440 HD11 LEU 53 HD11 LEU 53 1.431 3.270 6.935
441 HD12 LEU 53 HD12 LEU 53 2.114 4.807 7.468
442 HD13 LEU 53 HD13 LEU 53 0.663 4.788 6.466
443 HD21 LEU 53 HD21 LEU 53 0.401 3.380 10.466
444 HD22 LEU 53 HD22 LEU 53 1.947 4.004 9.892
445 HD23 LEU 53 HD23 LEU 53 1.318 2.484 9.256
446 H GLY 54 H GLY 54 -3.196 6.909 10.117
447 HA2 GLY 54 HA2 GLY 54 -3.954 8.898 11.083
448 HA3 GLY 54 HA3 GLY 54 -2.295 9.315 11.482
449 H GLY 55 H GLY 55 -1.162 9.006 8.928
450 HA2 GLY 55 HA2 GLY 55 -0.984 10.014 6.848
451 HA3 GLY 55 HA3 GLY 55 -2.620 10.631 7.041
452 H LEU 56 H LEU 56 -2.618 12.180 9.138
453 HA LEU 56 HA LEU 56 -0.381 14.070 8.858
454 HB2 LEU 56 HB2 LEU 56 -2.814 14.517 7.741
455 HB3 LEU 56 HB3 LEU 56 -3.081 15.183 9.337
456 HG LEU 56 HG LEU 56 -0.875 16.040 7.465
457 HD11 LEU 56 HD11 LEU 56 -2.198 18.071 7.159
458 HD12 LEU 56 HD12 LEU 56 -3.493 17.373 8.133
459 HD13 LEU 56 HD13 LEU 56 -3.060 16.641 6.588
460 HD21 LEU 56 HD21 LEU 56 -0.260 16.395 9.771
461 HD22 LEU 56 HD22 LEU 56 -1.818 17.152 10.103
462 HD23 LEU 56 HD23 LEU 56 -0.665 17.942 9.026
463 H GLU 57 H GLU 57 0.567 14.152 10.797
464 HA GLU 57 HA GLU 57 -1.041 13.653 13.196
465 HB2 GLU 57 HB2 GLU 57 1.874 13.457 12.561
466 HB3 GLU 57 HB3 GLU 57 1.381 13.708 14.232
467 HG2 GLU 57 HG2 GLU 57 0.246 11.491 12.557
468 HG3 GLU 57 HG3 GLU 57 1.754 11.314 13.455
469 H HIS 58 H HIS 58 0.226 14.916 15.161
470 HA HIS 58 HA HIS 58 0.349 16.881 16.288
471 HB2 HIS 58 HB2 HIS 58 1.954 17.635 14.560
472 HB3 HIS 58 HB3 HIS 58 0.613 18.192 13.567
473 HD1 HIS 58 HD1 HIS 58 2.325 18.958 16.858
474 HD2 HIS 58 HD2 HIS 58 -0.255 20.734 14.121
475 HE1 HIS 58 HE1 HIS 58 2.110 21.354 17.583
476 HE2 HIS 58 HE2 HIS 58 0.712 22.451 15.799
477 H HIS 59 H HIS 59 -1.465 17.492 13.301
478 HA HIS 59 HA HIS 59 -3.992 17.308 14.565
479 HB2 HIS 59 HB2 HIS 59 -2.774 19.935 14.550
480 HB3 HIS 59 HB3 HIS 59 -4.223 19.929 13.552
481 HD1 HIS 59 HD1 HIS 59 -6.468 19.136 14.805
482 HD2 HIS 59 HD2 HIS 59 -3.224 20.027 17.243
483 HE1 HIS 59 HE1 HIS 59 -7.420 19.432 17.111
484 HE2 HIS 59 HE2 HIS 59 -5.465 20.151 18.527
485 H HIS 60 H HIS 60 -5.419 16.725 13.028
486 HA HIS 60 HA HIS 60 -4.563 16.318 10.371
487 HB2 HIS 60 HB2 HIS 60 -6.676 15.429 11.890
488 HB3 HIS 60 HB3 HIS 60 -7.477 16.505 10.751
489 HD1 HIS 60 HD1 HIS 60 -7.795 15.673 8.382
490 HD2 HIS 60 HD2 HIS 60 -5.334 13.211 10.666
491 HE1 HIS 60 HE1 HIS 60 -7.446 13.595 7.013
492 HE2 HIS 60 HE2 HIS 60 -6.196 12.025 8.535
493 H HIS 61 H HIS 61 -6.516 18.775 11.921
494 HA HIS 61 HA HIS 61 -5.644 20.758 10.048
495 HB2 HIS 61 HB2 HIS 61 -8.441 19.724 9.950
496 HB3 HIS 61 HB3 HIS 61 -8.230 21.469 9.859
497 HD1 HIS 61 HD1 HIS 61 -9.179 19.386 7.544
498 HD2 HIS 61 HD2 HIS 61 -5.532 21.350 7.893
499 HE1 HIS 61 HE1 HIS 61 -8.225 19.464 5.221
500 HE2 HIS 61 HE2 HIS 61 -6.127 20.846 5.428
501 H HIS 62 H HIS 62 -5.970 22.875 10.853
502 HA HIS 62 HA HIS 62 -6.425 23.140 13.665
503 HB2 HIS 62 HB2 HIS 62 -4.935 24.697 12.585
504 HB3 HIS 62 HB3 HIS 62 -6.174 25.170 11.434
505 HD1 HIS 62 HD1 HIS 62 -5.433 25.432 15.148
506 HD2 HIS 62 HD2 HIS 62 -7.629 27.352 12.180
507 HE1 HIS 62 HE1 HIS 62 -6.355 27.509 16.219
508 HE2 HIS 62 HE2 HIS 62 -7.451 28.769 14.333
509 H HIS 63 H HIS 63 -8.289 23.551 10.758
510 HA HIS 63 HA HIS 63 -10.740 23.179 12.155
511 HB2 HIS 63 HB2 HIS 63 -10.456 25.622 12.504
512 HB3 HIS 63 HB3 HIS 63 -10.318 25.845 10.764
513 HD1 HIS 63 HD1 HIS 63 -12.810 25.219 13.480
514 HD2 HIS 63 HD2 HIS 63 -12.746 25.688 9.343
515 HE1 HIS 63 HE1 HIS 63 -15.212 25.500 12.786
516 HE2 HIS 63 HE2 HIS 63 -15.145 25.871 10.293
Start of MODEL 8
1 H1 MET 1 H1 MET 1 11.137 -14.461 -0.191
2 H2 MET 1 H2 MET 1 10.064 -15.761 -0.016
3 H3 MET 1 H3 MET 1 10.643 -14.949 1.357
4 HA MET 1 HA MET 1 8.881 -13.823 -0.745
5 HB2 MET 1 HB2 MET 1 7.768 -15.404 0.804
6 HB3 MET 1 HB3 MET 1 8.345 -14.459 2.169
7 HG2 MET 1 HG2 MET 1 7.030 -12.546 1.407
8 HG3 MET 1 HG3 MET 1 6.449 -13.495 0.038
9 HE1 MET 1 HE1 MET 1 4.426 -16.327 1.876
10 HE2 MET 1 HE2 MET 1 6.138 -16.368 1.453
11 HE3 MET 1 HE3 MET 1 4.965 -15.704 0.317
12 H GLY 2 H GLY 2 9.709 -11.858 -1.119
13 HA2 GLY 2 HA2 GLY 2 10.921 -10.370 1.083
14 HA3 GLY 2 HA3 GLY 2 11.026 -9.974 -0.625
15 H GLU 3 H GLU 3 8.228 -10.107 -1.176
16 HA GLU 3 HA GLU 3 7.023 -8.083 0.515
17 HB2 GLU 3 HB2 GLU 3 6.610 -6.606 -1.504
18 HB3 GLU 3 HB3 GLU 3 8.251 -6.618 -0.875
19 HG2 GLU 3 HG2 GLU 3 8.866 -8.237 -2.640
20 HG3 GLU 3 HG3 GLU 3 7.236 -8.085 -3.296
21 H LEU 4 H LEU 4 4.839 -7.418 -0.438
22 HA LEU 4 HA LEU 4 3.448 -9.904 -1.092
23 HB2 LEU 4 HB2 LEU 4 2.441 -7.190 -0.244
24 HB3 LEU 4 HB3 LEU 4 1.414 -8.579 -0.544
25 HG LEU 4 HG LEU 4 3.548 -8.448 1.589
26 HD11 LEU 4 HD11 LEU 4 1.702 -6.924 2.060
27 HD12 LEU 4 HD12 LEU 4 1.686 -8.309 3.153
28 HD13 LEU 4 HD13 LEU 4 0.551 -8.238 1.806
29 HD21 LEU 4 HD21 LEU 4 3.146 -10.708 0.785
30 HD22 LEU 4 HD22 LEU 4 1.410 -10.491 1.010
31 HD23 LEU 4 HD23 LEU 4 2.485 -10.498 2.407
32 H SER 5 H SER 5 1.137 -8.883 -2.233
33 HA SER 5 HA SER 5 2.114 -8.003 -4.870
34 HB2 SER 5 HB2 SER 5 -0.348 -9.655 -4.248
35 HB3 SER 5 HB3 SER 5 0.256 -9.232 -5.851
36 HG SER 5 HG SER 5 2.037 -10.495 -4.126
37 H TRP 6 H TRP 6 1.342 -6.137 -5.655
38 HA TRP 6 HA TRP 6 -0.849 -4.823 -4.186
39 HB2 TRP 6 HB2 TRP 6 1.484 -3.754 -5.766
40 HB3 TRP 6 HB3 TRP 6 0.086 -2.748 -5.411
41 HD1 TRP 6 HD1 TRP 6 2.185 -5.116 -3.118
42 HE1 TRP 6 HE1 TRP 6 2.844 -3.770 -1.020
43 HE3 TRP 6 HE3 TRP 6 0.120 -0.595 -4.357
44 HZ2 TRP 6 HZ2 TRP 6 2.535 -1.148 -0.034
45 HZ3 TRP 6 HZ3 TRP 6 0.357 1.279 -2.780
46 HH2 TRP 6 HH2 TRP 6 1.541 1.005 -0.665
47 H THR 7 H THR 7 -2.674 -4.148 -5.262
48 HA THR 7 HA THR 7 -3.035 -5.204 -7.940
49 HB THR 7 HB THR 7 -5.406 -4.505 -7.652
50 HG1 THR 7 HG1 THR 7 -6.039 -3.418 -5.913
51 HG21 THR 7 HG21 THR 7 -5.959 -6.173 -5.952
52 HG22 THR 7 HG22 THR 7 -4.287 -6.164 -5.392
53 HG23 THR 7 HG23 THR 7 -4.671 -6.751 -7.010
54 H ALA 8 H ALA 8 -4.463 -3.778 -9.416
55 HA ALA 8 HA ALA 8 -2.849 -1.705 -10.360
56 HB1 ALA 8 HB1 ALA 8 -4.416 -2.961 -11.756
57 HB2 ALA 8 HB2 ALA 8 -4.651 -1.220 -11.915
58 HB3 ALA 8 HB3 ALA 8 -5.769 -2.176 -10.942
59 H GLU 9 H GLU 9 -5.762 -1.578 -8.347
60 HA GLU 9 HA GLU 9 -6.109 1.213 -8.347
61 HB2 GLU 9 HB2 GLU 9 -6.652 -0.405 -5.887
62 HB3 GLU 9 HB3 GLU 9 -7.554 0.955 -6.532
63 HG2 GLU 9 HG2 GLU 9 -8.964 -0.789 -6.981
64 HG3 GLU 9 HG3 GLU 9 -8.064 -0.677 -8.495
65 H ALA 10 H ALA 10 -4.255 -0.913 -6.248
66 HA ALA 10 HA ALA 10 -3.347 1.079 -4.467
67 HB1 ALA 10 HB1 ALA 10 -3.356 -1.286 -3.885
68 HB2 ALA 10 HB2 ALA 10 -1.735 -0.607 -3.722
69 HB3 ALA 10 HB3 ALA 10 -2.139 -1.605 -5.119
70 H GLU 11 H GLU 11 -2.021 -0.282 -7.447
71 HA GLU 11 HA GLU 11 0.500 0.955 -7.345
72 HB2 GLU 11 HB2 GLU 11 -1.147 0.236 -9.772
73 HB3 GLU 11 HB3 GLU 11 0.562 0.637 -9.791
74 HG2 GLU 11 HG2 GLU 11 0.981 -1.329 -8.340
75 HG3 GLU 11 HG3 GLU 11 -0.725 -1.753 -8.500
76 H LYS 12 H LYS 12 -2.596 2.083 -8.675
77 HA LYS 12 HA LYS 12 -1.507 4.425 -9.859
78 HB2 LYS 12 HB2 LYS 12 -3.693 3.421 -10.516
79 HB3 LYS 12 HB3 LYS 12 -4.366 3.965 -8.983
80 HG2 LYS 12 HG2 LYS 12 -3.982 6.270 -9.586
81 HG3 LYS 12 HG3 LYS 12 -3.183 5.777 -11.077
82 HD2 LYS 12 HD2 LYS 12 -5.419 6.466 -11.595
83 HD3 LYS 12 HD3 LYS 12 -5.309 4.717 -11.798
84 HE2 LYS 12 HE2 LYS 12 -6.388 4.359 -9.673
85 HE3 LYS 12 HE3 LYS 12 -6.385 6.090 -9.338
86 HZ1 LYS 12 HZ1 LYS 12 -7.846 4.791 -11.575
87 HZ2 LYS 12 HZ2 LYS 12 -7.875 6.440 -11.191
88 HZ3 LYS 12 HZ3 LYS 12 -8.547 5.305 -10.120
89 H MET 13 H MET 13 -3.069 3.797 -6.744
90 HA MET 13 HA MET 13 -2.994 6.479 -5.832
91 HB2 MET 13 HB2 MET 13 -3.153 3.847 -4.368
92 HB3 MET 13 HB3 MET 13 -3.188 5.398 -3.539
93 HG2 MET 13 HG2 MET 13 -5.200 6.018 -4.776
94 HG3 MET 13 HG3 MET 13 -5.159 4.471 -5.619
95 HE1 MET 13 HE1 MET 13 -5.915 1.928 -2.779
96 HE2 MET 13 HE2 MET 13 -4.342 2.422 -3.403
97 HE3 MET 13 HE3 MET 13 -5.688 2.160 -4.514
98 H LEU 14 H LEU 14 -0.701 3.835 -5.747
99 HA LEU 14 HA LEU 14 1.173 5.128 -4.026
100 HB2 LEU 14 HB2 LEU 14 1.028 2.665 -4.380
101 HB3 LEU 14 HB3 LEU 14 1.632 2.898 -6.008
102 HG LEU 14 HG LEU 14 3.728 3.839 -5.041
103 HD11 LEU 14 HD11 LEU 14 2.515 2.902 -2.444
104 HD12 LEU 14 HD12 LEU 14 2.860 4.572 -2.895
105 HD13 LEU 14 HD13 LEU 14 4.183 3.429 -2.666
106 HD21 LEU 14 HD21 LEU 14 2.973 1.052 -4.179
107 HD22 LEU 14 HD22 LEU 14 4.618 1.675 -4.310
108 HD23 LEU 14 HD23 LEU 14 3.615 1.523 -5.753
109 H GLY 15 H GLY 15 0.504 5.156 -7.440
110 HA2 GLY 15 HA2 GLY 15 2.931 6.285 -8.360
111 HA3 GLY 15 HA3 GLY 15 1.376 6.392 -9.168
112 H LYS 16 H LYS 16 0.114 7.624 -6.855
113 HA LYS 16 HA LYS 16 0.559 10.353 -7.368
114 HB2 LYS 16 HB2 LYS 16 -1.471 9.085 -6.332
115 HB3 LYS 16 HB3 LYS 16 -0.617 9.292 -4.812
116 HG2 LYS 16 HG2 LYS 16 -1.220 11.615 -6.590
117 HG3 LYS 16 HG3 LYS 16 -2.411 10.989 -5.457
118 HD2 LYS 16 HD2 LYS 16 0.335 12.035 -4.767
119 HD3 LYS 16 HD3 LYS 16 -1.195 12.865 -4.482
120 HE2 LYS 16 HE2 LYS 16 -1.862 10.921 -3.034
121 HE3 LYS 16 HE3 LYS 16 -0.212 10.320 -3.202
122 HZ1 LYS 16 HZ1 LYS 16 -1.138 12.790 -1.858
123 HZ2 LYS 16 HZ2 LYS 16 0.471 12.598 -2.335
124 HZ3 LYS 16 HZ3 LYS 16 -0.206 11.524 -1.213
125 H VAL 17 H VAL 17 1.813 8.100 -5.017
126 HA VAL 17 HA VAL 17 3.168 10.036 -3.401
127 HB VAL 17 HB VAL 17 3.660 7.062 -3.610
128 HG11 VAL 17 HG11 VAL 17 5.464 8.278 -2.512
129 HG12 VAL 17 HG12 VAL 17 4.587 7.260 -1.368
130 HG13 VAL 17 HG13 VAL 17 4.305 9.002 -1.400
131 HG21 VAL 17 HG21 VAL 17 1.328 7.490 -3.078
132 HG22 VAL 17 HG22 VAL 17 1.810 8.570 -1.769
133 HG23 VAL 17 HG23 VAL 17 2.173 6.846 -1.672
134 HA PRO 18 HA PRO 18 6.562 10.837 -6.178
135 HB2 PRO 18 HB2 PRO 18 8.323 11.536 -4.119
136 HB3 PRO 18 HB3 PRO 18 7.266 12.637 -5.005
137 HG2 PRO 18 HG2 PRO 18 6.892 11.385 -2.337
138 HG3 PRO 18 HG3 PRO 18 6.372 12.976 -2.916
139 HD2 PRO 18 HD2 PRO 18 4.649 10.934 -2.608
140 HD3 PRO 18 HD3 PRO 18 4.468 12.120 -3.918
141 H PHE 19 H PHE 19 8.538 9.989 -6.744
142 HA PHE 19 HA PHE 19 8.616 7.220 -6.496
143 HB2 PHE 19 HB2 PHE 19 9.538 8.766 -8.329
144 HB3 PHE 19 HB3 PHE 19 10.986 8.868 -7.334
145 HD1 PHE 19 HD1 PHE 19 8.717 6.440 -8.957
146 HD2 PHE 19 HD2 PHE 19 12.644 7.251 -7.543
147 HE1 PHE 19 HE1 PHE 19 9.512 4.338 -9.972
148 HE2 PHE 19 HE2 PHE 19 13.451 5.156 -8.553
149 HZ PHE 19 HZ PHE 19 11.883 3.695 -9.770
150 H PHE 20 H PHE 20 10.571 9.668 -4.871
151 HA PHE 20 HA PHE 20 12.538 7.956 -3.837
152 HB2 PHE 20 HB2 PHE 20 11.551 10.551 -2.637
153 HB3 PHE 20 HB3 PHE 20 13.105 9.781 -2.329
154 HD1 PHE 20 HD2 PHE 20 14.743 9.566 -4.232
155 HD2 PHE 20 HD1 PHE 20 11.259 11.996 -4.447
156 HE1 PHE 20 HE2 PHE 20 15.725 10.797 -6.122
157 HE2 PHE 20 HE1 PHE 20 12.233 13.231 -6.342
158 HZ PHE 20 HZ PHE 20 14.469 12.632 -7.180
159 H VAL 21 H VAL 21 9.507 9.113 -2.395
160 HA VAL 21 HA VAL 21 10.019 7.474 -0.037
161 HB VAL 21 HB VAL 21 8.087 8.573 0.968
162 HG11 VAL 21 HG11 VAL 21 10.249 9.641 1.180
163 HG12 VAL 21 HG12 VAL 21 8.982 10.861 1.043
164 HG13 VAL 21 HG13 VAL 21 10.005 10.491 -0.347
165 HG21 VAL 21 HG21 VAL 21 7.838 10.016 -1.667
166 HG22 VAL 21 HG22 VAL 21 6.936 10.400 -0.200
167 HG23 VAL 21 HG23 VAL 21 6.699 8.848 -1.002
168 H ARG 22 H ARG 22 8.612 7.102 -2.995
169 HA ARG 22 HA ARG 22 6.254 5.684 -2.453
170 HB2 ARG 22 HB2 ARG 22 6.908 6.508 -4.696
171 HB3 ARG 22 HB3 ARG 22 8.189 5.309 -4.750
172 HG2 ARG 22 HG2 ARG 22 6.564 3.518 -4.745
173 HG3 ARG 22 HG3 ARG 22 5.250 4.683 -4.571
174 HD2 ARG 22 HD2 ARG 22 7.144 4.464 -6.911
175 HD3 ARG 22 HD3 ARG 22 5.455 3.955 -6.886
176 HE ARG 22 HE ARG 22 5.478 6.630 -6.173
177 HH11 ARG 22 HH11 ARG 22 6.272 4.683 -8.984
178 HH12 ARG 22 HH12 ARG 22 6.039 5.999 -10.098
179 HH21 ARG 22 HH21 ARG 22 5.160 8.332 -7.642
180 HH22 ARG 22 HH22 ARG 22 5.402 8.056 -9.342
181 H LYS 23 H LYS 23 9.622 4.710 -2.609
182 HA LYS 23 HA LYS 23 9.276 1.934 -2.320
183 HB2 LYS 23 HB2 LYS 23 11.400 2.931 -2.986
184 HB3 LYS 23 HB3 LYS 23 11.538 3.731 -1.428
185 HG2 LYS 23 HG2 LYS 23 11.749 1.574 -0.323
186 HG3 LYS 23 HG3 LYS 23 11.570 0.753 -1.877
187 HD2 LYS 23 HD2 LYS 23 13.755 2.739 -1.254
188 HD3 LYS 23 HD3 LYS 23 13.939 0.991 -1.098
189 HE2 LYS 23 HE2 LYS 23 13.655 0.661 -3.429
190 HE3 LYS 23 HE3 LYS 23 13.080 2.310 -3.664
191 HZ1 LYS 23 HZ1 LYS 23 15.240 3.161 -3.240
192 HZ2 LYS 23 HZ2 LYS 23 15.411 1.917 -4.383
193 HZ3 LYS 23 HZ3 LYS 23 15.829 1.644 -2.761
194 H LYS 24 H LYS 24 9.591 4.544 0.038
195 HA LYS 24 HA LYS 24 9.626 2.955 2.365
196 HB2 LYS 24 HB2 LYS 24 10.344 5.233 2.501
197 HB3 LYS 24 HB3 LYS 24 8.813 5.821 1.869
198 HG2 LYS 24 HG2 LYS 24 8.884 6.271 4.208
199 HG3 LYS 24 HG3 LYS 24 7.707 4.986 3.936
200 HD2 LYS 24 HD2 LYS 24 8.927 4.297 5.817
201 HD3 LYS 24 HD3 LYS 24 9.607 3.370 4.480
202 HE2 LYS 24 HE2 LYS 24 11.388 4.212 5.880
203 HE3 LYS 24 HE3 LYS 24 11.439 5.012 4.310
204 HZ1 LYS 24 HZ1 LYS 24 11.749 6.521 6.239
205 HZ2 LYS 24 HZ2 LYS 24 10.156 6.183 6.722
206 HZ3 LYS 24 HZ3 LYS 24 10.450 6.959 5.242
207 H VAL 25 H VAL 25 6.950 4.714 0.787
208 HA VAL 25 HA VAL 25 4.987 3.880 2.629
209 HB VAL 25 HB VAL 25 4.556 4.729 -0.240
210 HG11 VAL 25 HG11 VAL 25 2.600 3.652 0.707
211 HG12 VAL 25 HG12 VAL 25 2.320 5.388 0.550
212 HG13 VAL 25 HG13 VAL 25 2.691 4.692 2.129
213 HG21 VAL 25 HG21 VAL 25 4.176 6.971 0.695
214 HG22 VAL 25 HG22 VAL 25 5.823 6.406 0.976
215 HG23 VAL 25 HG23 VAL 25 4.644 6.373 2.287
216 H ARG 26 H ARG 26 6.008 2.542 -0.496
217 HA ARG 26 HA ARG 26 4.010 0.590 -0.720
218 HB2 ARG 26 HB2 ARG 26 5.689 1.286 -2.491
219 HB3 ARG 26 HB3 ARG 26 6.854 0.256 -1.668
220 HG2 ARG 26 HG2 ARG 26 5.391 -1.673 -2.021
221 HG3 ARG 26 HG3 ARG 26 4.242 -0.636 -2.868
222 HD2 ARG 26 HD2 ARG 26 6.049 -0.085 -4.495
223 HD3 ARG 26 HD3 ARG 26 7.066 -1.282 -3.695
224 HE ARG 26 HE ARG 26 4.594 -1.854 -5.200
225 HH11 ARG 26 HH11 ARG 26 7.613 -2.903 -3.767
226 HH12 ARG 26 HH12 ARG 26 7.536 -4.500 -4.449
227 HH21 ARG 26 HH21 ARG 26 4.501 -3.950 -6.110
228 HH22 ARG 26 HH22 ARG 26 5.757 -5.095 -5.767
229 H LYS 27 H LYS 27 7.149 0.535 0.888
230 HA LYS 27 HA LYS 27 6.992 -2.188 1.712
231 HB2 LYS 27 HB2 LYS 27 9.126 -0.962 1.531
232 HB3 LYS 27 HB3 LYS 27 8.630 0.084 2.855
233 HG2 LYS 27 HG2 LYS 27 10.158 -1.567 3.678
234 HG3 LYS 27 HG3 LYS 27 8.555 -1.881 4.343
235 HD2 LYS 27 HD2 LYS 27 9.328 -3.994 3.729
236 HD3 LYS 27 HD3 LYS 27 8.286 -3.526 2.387
237 HE2 LYS 27 HE2 LYS 27 11.274 -3.135 2.391
238 HE3 LYS 27 HE3 LYS 27 10.488 -4.576 1.753
239 HZ1 LYS 27 HZ1 LYS 27 11.041 -2.877 0.060
240 HZ2 LYS 27 HZ2 LYS 27 9.931 -1.829 0.788
241 HZ3 LYS 27 HZ3 LYS 27 9.394 -3.279 0.100
242 H ASN 28 H ASN 28 5.789 0.812 2.997
243 HA ASN 28 HA ASN 28 5.563 -0.056 5.712
244 HB2 ASN 28 HB2 ASN 28 5.648 2.369 4.662
245 HB3 ASN 28 HB3 ASN 28 3.901 2.166 4.581
246 HD21 ASN 28 HD21 ASN 28 6.653 2.504 6.646
247 HD22 ASN 28 HD22 ASN 28 5.777 2.809 8.108
248 H THR 29 H THR 29 3.271 0.442 3.046
249 HA THR 29 HA THR 29 1.019 -0.664 4.363
250 HB THR 29 HB THR 29 1.164 -1.005 1.454
251 HG1 THR 29 HG1 THR 29 2.237 0.885 1.342
252 HG21 THR 29 HG21 THR 29 -0.993 0.168 1.575
253 HG22 THR 29 HG22 THR 29 -0.734 0.428 3.300
254 HG23 THR 29 HG23 THR 29 -0.921 -1.210 2.676
255 H ASP 30 H ASP 30 3.611 -1.992 2.430
256 HA ASP 30 HA ASP 30 2.655 -4.559 1.941
257 HB2 ASP 30 HB2 ASP 30 4.776 -3.566 1.043
258 HB3 ASP 30 HB3 ASP 30 5.503 -3.788 2.629
259 H ASN 31 H ASN 31 4.330 -3.216 4.745
260 HA ASN 31 HA ASN 31 4.181 -5.650 6.254
261 HB2 ASN 31 HB2 ASN 31 5.020 -2.839 6.877
262 HB3 ASN 31 HB3 ASN 31 4.758 -3.990 8.185
263 HD21 ASN 31 HD21 ASN 31 6.687 -3.252 5.357
264 HD22 ASN 31 HD22 ASN 31 7.995 -4.320 5.745
265 H TYR 32 H TYR 32 2.087 -2.925 5.743
266 HA TYR 32 HA TYR 32 0.484 -3.280 8.075
267 HB2 TYR 32 HB2 TYR 32 0.324 -1.181 6.895
268 HB3 TYR 32 HB3 TYR 32 -0.139 -1.997 5.401
269 HD1 TYR 32 HD1 TYR 32 -1.294 -1.678 8.947
270 HD2 TYR 32 HD2 TYR 32 -2.395 -2.054 4.855
271 HE1 TYR 32 HE1 TYR 32 -3.663 -1.485 9.574
272 HE2 TYR 32 HE2 TYR 32 -4.770 -1.858 5.470
273 HH TYR 32 HH TYR 32 -6.196 -2.244 7.463
274 H ALA 33 H ALA 33 0.241 -4.418 4.741
275 HA ALA 33 HA ALA 33 -2.203 -5.784 5.047
276 HB1 ALA 33 HB1 ALA 33 -1.662 -6.859 2.941
277 HB2 ALA 33 HB2 ALA 33 0.015 -6.335 3.084
278 HB3 ALA 33 HB3 ALA 33 -1.266 -5.141 2.874
279 H ARG 34 H ARG 34 1.130 -6.740 5.659
280 HA ARG 34 HA ARG 34 0.644 -9.499 6.061
281 HB2 ARG 34 HB2 ARG 34 2.733 -7.786 7.412
282 HB3 ARG 34 HB3 ARG 34 2.753 -9.539 7.274
283 HG2 ARG 34 HG2 ARG 34 2.918 -9.320 4.840
284 HG3 ARG 34 HG3 ARG 34 2.962 -7.566 5.022
285 HD2 ARG 34 HD2 ARG 34 4.972 -7.890 6.505
286 HD3 ARG 34 HD3 ARG 34 4.979 -9.576 5.991
287 HE ARG 34 HE ARG 34 5.078 -7.481 3.943
288 HH11 ARG 34 HH11 ARG 34 6.635 -10.138 5.633
289 HH12 ARG 34 HH12 ARG 34 8.014 -10.154 4.570
290 HH21 ARG 34 HH21 ARG 34 6.837 -7.517 2.560
291 HH22 ARG 34 HH22 ARG 34 8.126 -8.666 2.807
292 H GLU 35 H GLU 35 0.350 -6.674 8.102
293 HA GLU 35 HA GLU 35 0.117 -8.019 10.561
294 HB2 GLU 35 HB2 GLU 35 0.601 -5.580 10.308
295 HB3 GLU 35 HB3 GLU 35 -1.064 -5.336 9.800
296 HG2 GLU 35 HG2 GLU 35 -1.725 -6.363 12.027
297 HG3 GLU 35 HG3 GLU 35 -0.036 -6.163 12.489
298 H ILE 36 H ILE 36 -2.232 -6.980 8.153
299 HA ILE 36 HA ILE 36 -4.461 -7.960 9.737
300 HB ILE 36 HB ILE 36 -5.880 -7.150 7.904
301 HG12 ILE 36 HG12 ILE 36 -3.260 -6.356 6.609
302 HG13 ILE 36 HG13 ILE 36 -4.367 -7.592 6.023
303 HG21 ILE 36 HG21 ILE 36 -5.394 -4.760 8.167
304 HG22 ILE 36 HG22 ILE 36 -3.805 -5.159 8.820
305 HG23 ILE 36 HG23 ILE 36 -5.262 -5.628 9.697
306 HD11 ILE 36 HD11 ILE 36 -4.565 -5.532 4.749
307 HD12 ILE 36 HD12 ILE 36 -4.965 -4.650 6.224
308 HD13 ILE 36 HD13 ILE 36 -6.060 -5.892 5.614
309 H GLY 37 H GLY 37 -2.233 -9.442 7.903
310 HA2 GLY 37 HA2 GLY 37 -2.119 -11.548 6.994
311 HA3 GLY 37 HA3 GLY 37 -3.718 -11.843 7.660
312 H GLU 38 H GLU 38 -2.457 -9.634 5.170
313 HA GLU 38 HA GLU 38 -4.276 -10.889 3.239
314 HB2 GLU 38 HB2 GLU 38 -5.324 -8.843 4.153
315 HB3 GLU 38 HB3 GLU 38 -3.916 -7.914 3.660
316 HG2 GLU 38 HG2 GLU 38 -5.707 -7.605 2.093
317 HG3 GLU 38 HG3 GLU 38 -4.378 -8.476 1.329
318 HA PRO 39 HA PRO 39 -0.266 -10.714 1.147
319 HB2 PRO 39 HB2 PRO 39 -1.483 -12.511 -0.791
320 HB3 PRO 39 HB3 PRO 39 -0.147 -12.816 0.320
321 HG2 PRO 39 HG2 PRO 39 -2.589 -13.977 0.584
322 HG3 PRO 39 HG3 PRO 39 -1.524 -13.634 1.958
323 HD2 PRO 39 HD2 PRO 39 -3.916 -12.118 0.988
324 HD3 PRO 39 HD3 PRO 39 -3.406 -12.477 2.652
325 H VAL 40 H VAL 40 -3.426 -9.971 0.004
326 HA VAL 40 HA VAL 40 -2.341 -8.811 -2.476
327 HB VAL 40 HB VAL 40 -5.223 -9.484 -1.856
328 HG11 VAL 40 HG11 VAL 40 -5.577 -9.137 -4.251
329 HG12 VAL 40 HG12 VAL 40 -3.887 -8.671 -4.433
330 HG13 VAL 40 HG13 VAL 40 -4.977 -7.677 -3.468
331 HG21 VAL 40 HG21 VAL 40 -3.218 -10.982 -3.541
332 HG22 VAL 40 HG22 VAL 40 -4.934 -11.363 -3.406
333 HG23 VAL 40 HG23 VAL 40 -3.883 -11.511 -1.997
334 H VAL 41 H VAL 41 -1.847 -6.752 -2.131
335 HA VAL 41 HA VAL 41 -3.363 -5.113 -0.287
336 HB VAL 41 HB VAL 41 -1.108 -4.287 -2.122
337 HG11 VAL 41 HG11 VAL 41 -0.827 -2.438 -0.524
338 HG12 VAL 41 HG12 VAL 41 -2.254 -2.995 0.351
339 HG13 VAL 41 HG13 VAL 41 -2.407 -2.410 -1.307
340 HG21 VAL 41 HG21 VAL 41 0.369 -4.573 -0.193
341 HG22 VAL 41 HG22 VAL 41 -0.389 -6.100 -0.649
342 HG23 VAL 41 HG23 VAL 41 -0.981 -5.203 0.750
343 H THR 42 H THR 42 -5.318 -4.564 -1.014
344 HA THR 42 HA THR 42 -5.642 -3.661 -3.785
345 HB THR 42 HB THR 42 -8.109 -3.832 -3.238
346 HG1 THR 42 HG1 THR 42 -7.680 -5.570 -1.153
347 HG21 THR 42 HG21 THR 42 -8.170 -6.267 -3.427
348 HG22 THR 42 HG22 THR 42 -6.478 -6.358 -2.940
349 HG23 THR 42 HG23 THR 42 -6.918 -5.593 -4.467
350 H ALA 43 H ALA 43 -7.530 -1.931 -3.924
351 HA ALA 43 HA ALA 43 -6.744 0.495 -2.884
352 HB1 ALA 43 HB1 ALA 43 -9.550 -0.325 -3.618
353 HB2 ALA 43 HB2 ALA 43 -8.316 0.258 -4.736
354 HB3 ALA 43 HB3 ALA 43 -8.952 1.330 -3.490
355 H ASP 44 H ASP 44 -9.044 -1.815 -1.496
356 HA ASP 44 HA ASP 44 -9.991 -0.229 0.604
357 HB2 ASP 44 HB2 ASP 44 -9.744 -3.201 0.244
358 HB3 ASP 44 HB3 ASP 44 -10.334 -2.526 1.759
359 H VAL 45 H VAL 45 -7.264 -2.471 0.483
360 HA VAL 45 HA VAL 45 -6.458 -2.236 3.157
361 HB VAL 45 HB VAL 45 -4.735 -2.818 0.739
362 HG11 VAL 45 HG11 VAL 45 -3.426 -2.194 2.718
363 HG12 VAL 45 HG12 VAL 45 -3.212 -3.894 2.304
364 HG13 VAL 45 HG13 VAL 45 -4.253 -3.439 3.651
365 HG21 VAL 45 HG21 VAL 45 -5.087 -5.185 1.359
366 HG22 VAL 45 HG22 VAL 45 -6.580 -4.378 0.879
367 HG23 VAL 45 HG23 VAL 45 -6.243 -4.666 2.586
368 H PHE 46 H PHE 46 -5.464 -0.445 0.263
369 HA PHE 46 HA PHE 46 -3.543 1.166 1.604
370 HB2 PHE 46 HB2 PHE 46 -3.661 0.698 -0.889
371 HB3 PHE 46 HB3 PHE 46 -4.968 1.874 -0.962
372 HD1 PHE 46 HD1 PHE 46 -1.384 1.387 -0.397
373 HD2 PHE 46 HD2 PHE 46 -4.529 4.232 -0.748
374 HE1 PHE 46 HE1 PHE 46 0.278 3.188 -0.615
375 HE2 PHE 46 HE2 PHE 46 -2.875 6.039 -0.967
376 HZ PHE 46 HZ PHE 46 -0.467 5.519 -0.901
377 H ARG 47 H ARG 47 -6.986 1.486 0.981
378 HA ARG 47 HA ARG 47 -7.271 4.193 1.692
379 HB2 ARG 47 HB2 ARG 47 -9.079 2.977 0.599
380 HB3 ARG 47 HB3 ARG 47 -9.249 1.923 1.997
381 HG2 ARG 47 HG2 ARG 47 -10.147 3.629 3.322
382 HG3 ARG 47 HG3 ARG 47 -9.596 4.892 2.221
383 HD2 ARG 47 HD2 ARG 47 -11.945 4.667 1.934
384 HD3 ARG 47 HD3 ARG 47 -11.167 3.978 0.513
385 HE ARG 47 HE ARG 47 -11.629 1.906 2.333
386 HH11 ARG 47 HH11 ARG 47 -13.436 4.161 0.357
387 HH12 ARG 47 HH12 ARG 47 -14.804 3.098 0.160
388 HH21 ARG 47 HH21 ARG 47 -13.442 0.517 2.114
389 HH22 ARG 47 HH22 ARG 47 -14.812 1.029 1.165
390 H LYS 48 H LYS 48 -7.430 1.249 3.648
391 HA LYS 48 HA LYS 48 -7.988 2.612 6.091
392 HB2 LYS 48 HB2 LYS 48 -6.901 -0.172 5.637
393 HB3 LYS 48 HB3 LYS 48 -7.571 0.435 7.146
394 HG2 LYS 48 HG2 LYS 48 -9.739 0.742 6.053
395 HG3 LYS 48 HG3 LYS 48 -9.062 0.114 4.549
396 HD2 LYS 48 HD2 LYS 48 -8.551 -2.008 5.727
397 HD3 LYS 48 HD3 LYS 48 -9.364 -1.370 7.159
398 HE2 LYS 48 HE2 LYS 48 -11.427 -1.113 5.836
399 HE3 LYS 48 HE3 LYS 48 -10.604 -1.821 4.448
400 HZ1 LYS 48 HZ1 LYS 48 -10.270 -3.848 5.756
401 HZ2 LYS 48 HZ2 LYS 48 -11.916 -3.477 5.564
402 HZ3 LYS 48 HZ3 LYS 48 -11.145 -3.163 7.043
403 H ALA 49 H ALA 49 -5.119 1.693 4.394
404 HA ALA 49 HA ALA 49 -3.222 1.464 6.352
405 HB1 ALA 49 HB1 ALA 49 -2.841 1.017 3.973
406 HB2 ALA 49 HB2 ALA 49 -1.572 2.023 4.674
407 HB3 ALA 49 HB3 ALA 49 -2.818 2.753 3.660
408 H LYS 50 H LYS 50 -4.414 4.517 4.944
409 HA LYS 50 HA LYS 50 -2.380 6.156 5.959
410 HB2 LYS 50 HB2 LYS 50 -5.192 6.729 5.100
411 HB3 LYS 50 HB3 LYS 50 -4.219 7.993 5.840
412 HG2 LYS 50 HG2 LYS 50 -3.723 8.390 3.669
413 HG3 LYS 50 HG3 LYS 50 -2.471 7.199 4.013
414 HD2 LYS 50 HD2 LYS 50 -3.500 6.630 1.928
415 HD3 LYS 50 HD3 LYS 50 -4.002 5.439 3.131
416 HE2 LYS 50 HE2 LYS 50 -6.121 6.562 3.410
417 HE3 LYS 50 HE3 LYS 50 -5.623 7.844 2.309
418 HZ1 LYS 50 HZ1 LYS 50 -7.093 6.168 1.291
419 HZ2 LYS 50 HZ2 LYS 50 -5.889 4.994 1.534
420 HZ3 LYS 50 HZ3 LYS 50 -5.597 6.305 0.505
421 H GLU 51 H GLU 51 -5.213 4.880 7.559
422 HA GLU 51 HA GLU 51 -5.054 6.700 9.779
423 HB2 GLU 51 HB2 GLU 51 -6.535 4.097 9.404
424 HB3 GLU 51 HB3 GLU 51 -6.646 5.078 10.857
425 HG2 GLU 51 HG2 GLU 51 -7.477 6.951 9.447
426 HG3 GLU 51 HG3 GLU 51 -7.503 5.838 8.079
427 H HIS 52 H HIS 52 -4.096 3.354 9.184
428 HA HIS 52 HA HIS 52 -3.201 2.970 11.897
429 HB2 HIS 52 HB2 HIS 52 -4.278 1.205 10.431
430 HB3 HIS 52 HB3 HIS 52 -2.771 1.149 9.526
431 HD1 HIS 52 HD1 HIS 52 -4.322 0.122 12.750
432 HD2 HIS 52 HD2 HIS 52 -0.643 -0.143 10.831
433 HE1 HIS 52 HE1 HIS 52 -2.999 -1.581 14.051
434 HE2 HIS 52 HE2 HIS 52 -0.920 -1.943 12.674
435 H LEU 53 H LEU 53 -1.749 3.727 8.810
436 HA LEU 53 HA LEU 53 0.935 3.244 9.881
437 HB2 LEU 53 HB2 LEU 53 0.105 3.986 7.079
438 HB3 LEU 53 HB3 LEU 53 1.701 3.472 7.593
439 HG LEU 53 HG LEU 53 -0.787 1.756 7.598
440 HD11 LEU 53 HD11 LEU 53 0.346 0.531 5.810
441 HD12 LEU 53 HD12 LEU 53 1.659 1.709 5.839
442 HD13 LEU 53 HD13 LEU 53 0.037 2.208 5.358
443 HD21 LEU 53 HD21 LEU 53 0.736 -0.080 8.167
444 HD22 LEU 53 HD22 LEU 53 0.717 1.158 9.423
445 HD23 LEU 53 HD23 LEU 53 2.069 1.067 8.294
446 H GLY 54 H GLY 54 -0.160 5.680 7.553
447 HA2 GLY 54 HA2 GLY 54 0.218 7.903 9.260
448 HA3 GLY 54 HA3 GLY 54 1.674 7.614 8.318
449 H GLY 55 H GLY 55 -0.872 9.506 8.413
450 HA2 GLY 55 HA2 GLY 55 -1.475 9.446 5.542
451 HA3 GLY 55 HA3 GLY 55 -2.362 10.346 6.765
452 H LEU 56 H LEU 56 0.574 10.243 4.853
453 HA LEU 56 HA LEU 56 1.173 13.014 5.563
454 HB2 LEU 56 HB2 LEU 56 2.703 10.914 4.039
455 HB3 LEU 56 HB3 LEU 56 3.195 12.595 4.052
456 HG LEU 56 HG LEU 56 3.312 12.418 6.583
457 HD11 LEU 56 HD11 LEU 56 1.980 10.408 6.875
458 HD12 LEU 56 HD12 LEU 56 3.608 10.176 7.511
459 HD13 LEU 56 HD13 LEU 56 3.161 9.474 5.957
460 HD21 LEU 56 HD21 LEU 56 5.512 11.352 6.535
461 HD22 LEU 56 HD22 LEU 56 5.295 12.454 5.176
462 HD23 LEU 56 HD23 LEU 56 5.167 10.711 4.929
463 H GLU 57 H GLU 57 1.113 14.681 4.146
464 HA GLU 57 HA GLU 57 0.360 15.954 2.438
465 HB2 GLU 57 HB2 GLU 57 2.145 14.609 1.251
466 HB3 GLU 57 HB3 GLU 57 0.862 13.560 0.664
467 HG2 GLU 57 HG2 GLU 57 -0.197 15.589 -0.356
468 HG3 GLU 57 HG3 GLU 57 1.265 16.479 0.067
469 H HIS 58 H HIS 58 -1.723 15.532 3.667
470 HA HIS 58 HA HIS 58 -3.608 13.937 2.092
471 HB2 HIS 58 HB2 HIS 58 -3.452 13.571 4.570
472 HB3 HIS 58 HB3 HIS 58 -4.062 15.206 4.802
473 HD1 HIS 58 HD1 HIS 58 -5.108 11.786 3.680
474 HD2 HIS 58 HD2 HIS 58 -6.813 15.514 4.394
475 HE1 HIS 58 HE1 HIS 58 -7.598 11.419 3.618
476 HE2 HIS 58 HE2 HIS 58 -8.608 13.656 4.198
477 H HIS 59 H HIS 59 -3.651 15.487 0.374
478 HA HIS 59 HA HIS 59 -5.674 17.527 0.924
479 HB2 HIS 59 HB2 HIS 59 -4.585 19.242 -0.287
480 HB3 HIS 59 HB3 HIS 59 -3.351 18.578 0.772
481 HD1 HIS 59 HD1 HIS 59 -4.022 19.436 -2.676
482 HD2 HIS 59 HD2 HIS 59 -1.506 16.780 -0.689
483 HE1 HIS 59 HE1 HIS 59 -2.246 18.802 -4.345
484 HE2 HIS 59 HE2 HIS 59 -0.825 17.090 -3.172
485 H HIS 60 H HIS 60 -7.191 17.751 -0.671
486 HA HIS 60 HA HIS 60 -7.276 15.532 -2.532
487 HB2 HIS 60 HB2 HIS 60 -9.289 17.680 -1.852
488 HB3 HIS 60 HB3 HIS 60 -9.575 16.413 -3.041
489 HD1 HIS 60 HD1 HIS 60 -9.540 17.083 0.591
490 HD2 HIS 60 HD2 HIS 60 -9.816 13.789 -1.931
491 HE1 HIS 60 HE1 HIS 60 -10.340 15.189 2.037
492 HE2 HIS 60 HE2 HIS 60 -10.280 13.167 0.537
493 H HIS 61 H HIS 61 -6.817 15.605 -4.610
494 HA HIS 61 HA HIS 61 -6.185 18.157 -5.868
495 HB2 HIS 61 HB2 HIS 61 -4.794 16.020 -6.166
496 HB3 HIS 61 HB3 HIS 61 -6.117 15.413 -7.149
497 HD1 HIS 61 HD1 HIS 61 -2.979 17.072 -7.454
498 HD2 HIS 61 HD2 HIS 61 -6.629 17.326 -9.442
499 HE1 HIS 61 HE1 HIS 61 -2.479 18.171 -9.660
500 HE2 HIS 61 HE2 HIS 61 -4.690 18.289 -10.866
501 H HIS 62 H HIS 62 -8.556 18.661 -5.445
502 HA HIS 62 HA HIS 62 -10.149 18.052 -7.790
503 HB2 HIS 62 HB2 HIS 62 -10.602 16.157 -6.242
504 HB3 HIS 62 HB3 HIS 62 -11.127 17.308 -5.020
505 HD1 HIS 62 HD1 HIS 62 -13.491 18.264 -5.230
506 HD2 HIS 62 HD2 HIS 62 -12.401 15.789 -8.390
507 HE1 HIS 62 HE1 HIS 62 -15.614 17.792 -6.492
508 HE2 HIS 62 HE2 HIS 62 -14.961 16.130 -8.266
509 H HIS 63 H HIS 63 -10.570 20.089 -8.348
510 HA HIS 63 HA HIS 63 -11.381 21.998 -6.265
511 HB2 HIS 63 HB2 HIS 63 -9.477 22.637 -7.741
512 HB3 HIS 63 HB3 HIS 63 -10.557 22.546 -9.127
513 HD1 HIS 63 HD1 HIS 63 -12.322 24.459 -9.389
514 HD2 HIS 63 HD2 HIS 63 -9.732 24.915 -6.162
515 HE1 HIS 63 HE1 HIS 63 -12.580 26.846 -8.635
516 HE2 HIS 63 HE2 HIS 63 -10.911 27.138 -6.773
Start of MODEL 9
1 H1 MET 1 H1 MET 1 12.107 -12.644 -2.426
2 H2 MET 1 H2 MET 1 10.764 -11.667 -2.082
3 H3 MET 1 H3 MET 1 10.680 -13.343 -1.828
4 HA MET 1 HA MET 1 12.430 -13.159 -0.140
5 HB2 MET 1 HB2 MET 1 13.380 -11.037 -1.031
6 HB3 MET 1 HB3 MET 1 11.945 -10.190 -0.478
7 HG2 MET 1 HG2 MET 1 13.731 -9.840 1.081
8 HG3 MET 1 HG3 MET 1 12.486 -10.835 1.835
9 HE1 MET 1 HE1 MET 1 15.177 -11.950 -0.819
10 HE2 MET 1 HE2 MET 1 16.484 -12.502 0.228
11 HE3 MET 1 HE3 MET 1 16.055 -10.794 0.186
12 H GLY 2 H GLY 2 9.694 -10.924 -0.552
13 HA2 GLY 2 HA2 GLY 2 7.951 -12.350 1.118
14 HA3 GLY 2 HA3 GLY 2 8.728 -11.108 2.090
15 H GLU 3 H GLU 3 8.367 -10.349 -1.221
16 HA GLU 3 HA GLU 3 6.754 -8.088 -0.598
17 HB2 GLU 3 HB2 GLU 3 7.327 -9.165 -3.360
18 HB3 GLU 3 HB3 GLU 3 6.934 -7.512 -2.914
19 HG2 GLU 3 HG2 GLU 3 9.162 -7.259 -3.149
20 HG3 GLU 3 HG3 GLU 3 9.156 -7.805 -1.473
21 H LEU 4 H LEU 4 4.620 -7.742 -0.858
22 HA LEU 4 HA LEU 4 2.973 -10.069 -1.510
23 HB2 LEU 4 HB2 LEU 4 2.292 -7.373 -0.332
24 HB3 LEU 4 HB3 LEU 4 1.100 -8.606 -0.698
25 HG LEU 4 HG LEU 4 3.351 -8.855 1.299
26 HD11 LEU 4 HD11 LEU 4 1.544 -8.893 2.948
27 HD12 LEU 4 HD12 LEU 4 0.371 -8.612 1.663
28 HD13 LEU 4 HD13 LEU 4 1.569 -7.378 2.045
29 HD21 LEU 4 HD21 LEU 4 2.304 -10.983 1.904
30 HD22 LEU 4 HD22 LEU 4 2.869 -10.994 0.232
31 HD23 LEU 4 HD23 LEU 4 1.152 -10.792 0.582
32 H SER 5 H SER 5 0.846 -9.429 -2.679
33 HA SER 5 HA SER 5 1.684 -8.391 -5.252
34 HB2 SER 5 HB2 SER 5 -0.943 -9.637 -4.400
35 HB3 SER 5 HB3 SER 5 -0.443 -9.308 -6.060
36 HG SER 5 HG SER 5 0.862 -10.986 -6.024
37 H TRP 6 H TRP 6 1.490 -6.309 -5.685
38 HA TRP 6 HA TRP 6 -0.520 -4.711 -4.306
39 HB2 TRP 6 HB2 TRP 6 1.931 -4.085 -5.906
40 HB3 TRP 6 HB3 TRP 6 0.677 -2.860 -5.742
41 HD1 TRP 6 HD1 TRP 6 2.980 -5.008 -3.472
42 HE1 TRP 6 HE1 TRP 6 3.431 -3.665 -1.303
43 HE3 TRP 6 HE3 TRP 6 -0.054 -0.992 -4.375
44 HZ2 TRP 6 HZ2 TRP 6 2.591 -1.230 -0.160
45 HZ3 TRP 6 HZ3 TRP 6 -0.171 0.803 -2.695
46 HH2 TRP 6 HH2 TRP 6 1.127 0.682 -0.629
47 H THR 7 H THR 7 -2.371 -4.120 -5.210
48 HA THR 7 HA THR 7 -3.027 -5.035 -7.851
49 HB THR 7 HB THR 7 -5.243 -3.940 -7.367
50 HG1 THR 7 HG1 THR 7 -4.227 -3.611 -4.727
51 HG21 THR 7 HG21 THR 7 -4.837 -6.309 -6.871
52 HG22 THR 7 HG22 THR 7 -5.913 -5.580 -5.679
53 HG23 THR 7 HG23 THR 7 -4.219 -5.869 -5.281
54 H ALA 8 H ALA 8 -3.873 -3.685 -9.540
55 HA ALA 8 HA ALA 8 -2.384 -1.367 -10.099
56 HB1 ALA 8 HB1 ALA 8 -5.022 -2.208 -11.297
57 HB2 ALA 8 HB2 ALA 8 -3.435 -2.762 -11.831
58 HB3 ALA 8 HB3 ALA 8 -3.876 -1.062 -11.992
59 H GLU 9 H GLU 9 -5.444 -1.871 -8.504
60 HA GLU 9 HA GLU 9 -6.397 0.758 -8.392
61 HB2 GLU 9 HB2 GLU 9 -6.673 -1.595 -6.535
62 HB3 GLU 9 HB3 GLU 9 -7.425 -0.050 -6.178
63 HG2 GLU 9 HG2 GLU 9 -8.988 -1.605 -7.201
64 HG3 GLU 9 HG3 GLU 9 -8.734 -0.182 -8.205
65 H ALA 10 H ALA 10 -4.369 -1.014 -6.069
66 HA ALA 10 HA ALA 10 -3.965 1.180 -4.336
67 HB1 ALA 10 HB1 ALA 10 -2.252 -1.269 -4.730
68 HB2 ALA 10 HB2 ALA 10 -3.628 -1.128 -3.634
69 HB3 ALA 10 HB3 ALA 10 -2.177 -0.163 -3.357
70 H GLU 11 H GLU 11 -1.972 -0.193 -6.932
71 HA GLU 11 HA GLU 11 0.164 1.610 -6.781
72 HB2 GLU 11 HB2 GLU 11 -0.957 -0.080 -8.992
73 HB3 GLU 11 HB3 GLU 11 0.391 1.009 -9.292
74 HG2 GLU 11 HG2 GLU 11 0.436 -1.071 -7.123
75 HG3 GLU 11 HG3 GLU 11 0.955 -1.399 -8.776
76 H LYS 12 H LYS 12 -2.986 1.921 -8.305
77 HA LYS 12 HA LYS 12 -2.482 4.143 -9.936
78 HB2 LYS 12 HB2 LYS 12 -4.562 2.807 -10.015
79 HB3 LYS 12 HB3 LYS 12 -5.029 3.457 -8.451
80 HG2 LYS 12 HG2 LYS 12 -5.043 5.725 -9.452
81 HG3 LYS 12 HG3 LYS 12 -4.715 4.992 -11.022
82 HD2 LYS 12 HD2 LYS 12 -7.126 4.471 -9.282
83 HD3 LYS 12 HD3 LYS 12 -7.092 5.458 -10.743
84 HE2 LYS 12 HE2 LYS 12 -6.511 2.500 -10.598
85 HE3 LYS 12 HE3 LYS 12 -8.009 3.229 -11.175
86 HZ1 LYS 12 HZ1 LYS 12 -6.535 2.588 -12.990
87 HZ2 LYS 12 HZ2 LYS 12 -5.330 3.626 -12.402
88 HZ3 LYS 12 HZ3 LYS 12 -6.792 4.268 -12.976
89 H MET 13 H MET 13 -3.466 3.934 -6.549
90 HA MET 13 HA MET 13 -3.555 6.797 -6.237
91 HB2 MET 13 HB2 MET 13 -3.714 4.572 -4.195
92 HB3 MET 13 HB3 MET 13 -3.994 6.275 -3.852
93 HG2 MET 13 HG2 MET 13 -5.901 6.283 -5.357
94 HG3 MET 13 HG3 MET 13 -5.606 4.592 -5.757
95 HE1 MET 13 HE1 MET 13 -4.789 3.426 -2.867
96 HE2 MET 13 HE2 MET 13 -5.842 2.604 -4.015
97 HE3 MET 13 HE3 MET 13 -6.358 2.816 -2.342
98 H LEU 14 H LEU 14 -1.283 4.226 -5.652
99 HA LEU 14 HA LEU 14 0.459 5.769 -3.969
100 HB2 LEU 14 HB2 LEU 14 0.281 3.310 -3.841
101 HB3 LEU 14 HB3 LEU 14 0.957 3.185 -5.452
102 HG LEU 14 HG LEU 14 3.053 4.231 -4.615
103 HD11 LEU 14 HD11 LEU 14 1.727 3.909 -1.926
104 HD12 LEU 14 HD12 LEU 14 2.130 5.435 -2.714
105 HD13 LEU 14 HD13 LEU 14 3.415 4.343 -2.198
106 HD21 LEU 14 HD21 LEU 14 3.826 2.244 -3.408
107 HD22 LEU 14 HD22 LEU 14 2.855 1.817 -4.817
108 HD23 LEU 14 HD23 LEU 14 2.154 1.722 -3.201
109 H GLY 15 H GLY 15 0.141 5.156 -7.384
110 HA2 GLY 15 HA2 GLY 15 2.753 5.915 -8.194
111 HA3 GLY 15 HA3 GLY 15 1.330 5.854 -9.220
112 H LYS 16 H LYS 16 0.037 7.755 -7.196
113 HA LYS 16 HA LYS 16 0.786 10.187 -8.505
114 HB2 LYS 16 HB2 LYS 16 -1.502 9.355 -7.444
115 HB3 LYS 16 HB3 LYS 16 -0.855 10.127 -6.006
116 HG2 LYS 16 HG2 LYS 16 -0.973 11.600 -8.599
117 HG3 LYS 16 HG3 LYS 16 -2.398 11.456 -7.574
118 HD2 LYS 16 HD2 LYS 16 -1.251 12.545 -5.752
119 HD3 LYS 16 HD3 LYS 16 0.259 12.561 -6.668
120 HE2 LYS 16 HE2 LYS 16 -0.677 14.078 -8.281
121 HE3 LYS 16 HE3 LYS 16 -2.267 13.966 -7.525
122 HZ1 LYS 16 HZ1 LYS 16 -1.497 15.099 -5.625
123 HZ2 LYS 16 HZ2 LYS 16 -0.940 15.991 -6.957
124 HZ3 LYS 16 HZ3 LYS 16 0.127 14.981 -6.105
125 H VAL 17 H VAL 17 1.761 8.459 -5.739
126 HA VAL 17 HA VAL 17 2.838 10.737 -4.302
127 HB VAL 17 HB VAL 17 2.996 7.773 -3.708
128 HG11 VAL 17 HG11 VAL 17 4.798 8.990 -2.628
129 HG12 VAL 17 HG12 VAL 17 3.609 8.466 -1.436
130 HG13 VAL 17 HG13 VAL 17 3.643 10.146 -1.967
131 HG21 VAL 17 HG21 VAL 17 0.699 8.600 -3.689
132 HG22 VAL 17 HG22 VAL 17 1.166 9.883 -2.569
133 HG23 VAL 17 HG23 VAL 17 1.244 8.195 -2.062
134 HA PRO 18 HA PRO 18 6.782 10.721 -6.416
135 HB2 PRO 18 HB2 PRO 18 7.671 11.663 -3.724
136 HB3 PRO 18 HB3 PRO 18 8.001 12.347 -5.321
137 HG2 PRO 18 HG2 PRO 18 6.220 13.484 -3.714
138 HG3 PRO 18 HG3 PRO 18 5.919 13.367 -5.458
139 HD2 PRO 18 HD2 PRO 18 4.751 11.778 -3.219
140 HD3 PRO 18 HD3 PRO 18 3.998 12.317 -4.733
141 H PHE 19 H PHE 19 8.545 9.409 -6.517
142 HA PHE 19 HA PHE 19 8.088 6.858 -5.435
143 HB2 PHE 19 HB2 PHE 19 9.310 7.615 -7.618
144 HB3 PHE 19 HB3 PHE 19 10.744 7.602 -6.595
145 HD1 PHE 19 HD1 PHE 19 8.053 5.554 -8.009
146 HD2 PHE 19 HD2 PHE 19 11.732 5.547 -5.878
147 HE1 PHE 19 HE1 PHE 19 8.235 3.120 -8.342
148 HE2 PHE 19 HE2 PHE 19 11.924 3.114 -6.205
149 HZ PHE 19 HZ PHE 19 10.172 1.897 -7.439
150 H PHE 20 H PHE 20 10.194 9.450 -4.416
151 HA PHE 20 HA PHE 20 12.025 8.098 -2.826
152 HB2 PHE 20 HB2 PHE 20 10.757 10.761 -2.158
153 HB3 PHE 20 HB3 PHE 20 12.319 10.170 -1.606
154 HD1 PHE 20 HD2 PHE 20 14.109 9.737 -3.385
155 HD2 PHE 20 HD1 PHE 20 10.587 12.017 -4.088
156 HE1 PHE 20 HE2 PHE 20 15.190 10.796 -5.328
157 HE2 PHE 20 HE1 PHE 20 11.660 13.083 -6.034
158 HZ PHE 20 HZ PHE 20 13.965 12.471 -6.654
159 H VAL 21 H VAL 21 8.937 9.540 -1.799
160 HA VAL 21 HA VAL 21 9.076 8.125 0.722
161 HB VAL 21 HB VAL 21 6.995 9.315 1.290
162 HG11 VAL 21 HG11 VAL 21 9.134 11.094 0.121
163 HG12 VAL 21 HG12 VAL 21 9.152 10.372 1.732
164 HG13 VAL 21 HG13 VAL 21 7.930 11.577 1.318
165 HG21 VAL 21 HG21 VAL 21 6.111 11.034 -0.231
166 HG22 VAL 21 HG22 VAL 21 5.967 9.415 -0.917
167 HG23 VAL 21 HG23 VAL 21 7.241 10.502 -1.476
168 H ARG 22 H ARG 22 7.652 7.752 -2.380
169 HA ARG 22 HA ARG 22 5.452 6.125 -1.797
170 HB2 ARG 22 HB2 ARG 22 5.926 7.016 -4.055
171 HB3 ARG 22 HB3 ARG 22 7.318 5.947 -4.176
172 HG2 ARG 22 HG2 ARG 22 5.638 4.048 -3.787
173 HG3 ARG 22 HG3 ARG 22 4.408 5.247 -4.177
174 HD2 ARG 22 HD2 ARG 22 6.726 4.466 -5.942
175 HD3 ARG 22 HD3 ARG 22 5.065 3.909 -6.129
176 HE ARG 22 HE ARG 22 5.219 6.758 -6.157
177 HH11 ARG 22 HH11 ARG 22 5.689 3.875 -8.091
178 HH12 ARG 22 HH12 ARG 22 5.528 4.702 -9.609
179 HH21 ARG 22 HH21 ARG 22 4.980 7.855 -8.170
180 HH22 ARG 22 HH22 ARG 22 5.105 6.951 -9.653
181 H LYS 23 H LYS 23 8.840 5.292 -2.429
182 HA LYS 23 HA LYS 23 8.609 2.512 -2.236
183 HB2 LYS 23 HB2 LYS 23 10.574 3.710 -3.144
184 HB3 LYS 23 HB3 LYS 23 10.976 4.258 -1.524
185 HG2 LYS 23 HG2 LYS 23 11.356 1.965 -0.819
186 HG3 LYS 23 HG3 LYS 23 10.900 1.386 -2.425
187 HD2 LYS 23 HD2 LYS 23 12.776 2.604 -3.406
188 HD3 LYS 23 HD3 LYS 23 13.223 3.217 -1.810
189 HE2 LYS 23 HE2 LYS 23 13.585 0.897 -1.058
190 HE3 LYS 23 HE3 LYS 23 13.200 0.331 -2.683
191 HZ1 LYS 23 HZ1 LYS 23 15.105 1.456 -3.551
192 HZ2 LYS 23 HZ2 LYS 23 15.613 0.515 -2.233
193 HZ3 LYS 23 HZ3 LYS 23 15.428 2.191 -2.057
194 H LYS 24 H LYS 24 9.128 4.982 0.230
195 HA LYS 24 HA LYS 24 9.609 3.263 2.414
196 HB2 LYS 24 HB2 LYS 24 8.391 6.033 2.339
197 HB3 LYS 24 HB3 LYS 24 8.904 5.212 3.805
198 HG2 LYS 24 HG2 LYS 24 10.735 5.895 1.515
199 HG3 LYS 24 HG3 LYS 24 10.525 6.882 2.962
200 HD2 LYS 24 HD2 LYS 24 11.497 4.026 2.908
201 HD3 LYS 24 HD3 LYS 24 12.512 5.454 3.114
202 HE2 LYS 24 HE2 LYS 24 11.275 6.015 5.162
203 HE3 LYS 24 HE3 LYS 24 10.307 4.554 4.967
204 HZ1 LYS 24 HZ1 LYS 24 12.033 4.098 6.516
205 HZ2 LYS 24 HZ2 LYS 24 13.226 4.719 5.481
206 HZ3 LYS 24 HZ3 LYS 24 12.426 3.279 5.079
207 H VAL 25 H VAL 25 6.623 4.908 1.375
208 HA VAL 25 HA VAL 25 4.965 3.784 3.351
209 HB VAL 25 HB VAL 25 4.185 4.836 0.621
210 HG11 VAL 25 HG11 VAL 25 2.515 4.404 3.098
211 HG12 VAL 25 HG12 VAL 25 2.422 3.468 1.606
212 HG13 VAL 25 HG13 VAL 25 1.967 5.172 1.606
213 HG21 VAL 25 HG21 VAL 25 5.382 6.500 1.923
214 HG22 VAL 25 HG22 VAL 25 4.325 6.205 3.306
215 HG23 VAL 25 HG23 VAL 25 3.670 6.916 1.830
216 H ARG 26 H ARG 26 5.724 2.790 0.058
217 HA ARG 26 HA ARG 26 3.849 0.759 -0.270
218 HB2 ARG 26 HB2 ARG 26 5.557 1.802 -1.919
219 HB3 ARG 26 HB3 ARG 26 6.655 0.563 -1.327
220 HG2 ARG 26 HG2 ARG 26 5.165 -1.173 -2.079
221 HG3 ARG 26 HG3 ARG 26 3.968 0.030 -2.570
222 HD2 ARG 26 HD2 ARG 26 5.780 0.994 -4.067
223 HD3 ARG 26 HD3 ARG 26 6.687 -0.482 -3.746
224 HE ARG 26 HE ARG 26 4.019 -0.458 -5.020
225 HH11 ARG 26 HH11 ARG 26 7.274 -1.716 -4.692
226 HH12 ARG 26 HH12 ARG 26 7.102 -2.820 -6.026
227 HH21 ARG 26 HH21 ARG 26 3.811 -1.869 -6.773
228 HH22 ARG 26 HH22 ARG 26 5.142 -2.904 -7.217
229 H LYS 27 H LYS 27 7.211 0.514 0.864
230 HA LYS 27 HA LYS 27 7.218 -2.226 1.443
231 HB2 LYS 27 HB2 LYS 27 9.221 -0.755 1.254
232 HB3 LYS 27 HB3 LYS 27 8.799 -0.036 2.800
233 HG2 LYS 27 HG2 LYS 27 9.092 -2.210 3.889
234 HG3 LYS 27 HG3 LYS 27 9.531 -2.920 2.333
235 HD2 LYS 27 HD2 LYS 27 11.439 -1.397 2.174
236 HD3 LYS 27 HD3 LYS 27 10.994 -0.676 3.721
237 HE2 LYS 27 HE2 LYS 27 12.801 -2.255 4.034
238 HE3 LYS 27 HE3 LYS 27 11.340 -2.851 4.815
239 HZ1 LYS 27 HZ1 LYS 27 12.008 -3.707 2.071
240 HZ2 LYS 27 HZ2 LYS 27 11.072 -4.502 3.243
241 HZ3 LYS 27 HZ3 LYS 27 12.759 -4.438 3.400
242 H ASN 28 H ASN 28 6.013 0.501 3.244
243 HA ASN 28 HA ASN 28 5.895 -0.857 5.767
244 HB2 ASN 28 HB2 ASN 28 4.642 1.725 4.809
245 HB3 ASN 28 HB3 ASN 28 4.477 1.114 6.451
246 HD21 ASN 28 HD21 ASN 28 5.694 3.577 5.450
247 HD22 ASN 28 HD22 ASN 28 7.330 3.568 6.014
248 H THR 29 H THR 29 3.825 -0.466 3.006
249 HA THR 29 HA THR 29 1.429 -1.291 4.365
250 HB THR 29 HB THR 29 1.721 -1.483 1.417
251 HG1 THR 29 HG1 THR 29 2.625 0.532 1.772
252 HG21 THR 29 HG21 THR 29 -0.388 -2.098 2.452
253 HG22 THR 29 HG22 THR 29 -0.577 -0.644 1.469
254 HG23 THR 29 HG23 THR 29 -0.475 -0.517 3.227
255 H ASP 30 H ASP 30 3.908 -2.823 2.361
256 HA ASP 30 HA ASP 30 2.711 -5.309 1.993
257 HB2 ASP 30 HB2 ASP 30 5.563 -4.423 2.233
258 HB3 ASP 30 HB3 ASP 30 5.201 -6.145 2.215
259 H ASN 31 H ASN 31 4.694 -4.145 4.690
260 HA ASN 31 HA ASN 31 4.241 -6.473 6.278
261 HB2 ASN 31 HB2 ASN 31 5.412 -3.767 6.817
262 HB3 ASN 31 HB3 ASN 31 5.029 -4.840 8.160
263 HD21 ASN 31 HD21 ASN 31 7.612 -3.864 7.163
264 HD22 ASN 31 HD22 ASN 31 8.547 -5.282 6.839
265 H TYR 32 H TYR 32 2.471 -3.550 5.697
266 HA TYR 32 HA TYR 32 0.908 -3.633 8.086
267 HB2 TYR 32 HB2 TYR 32 1.080 -1.550 6.858
268 HB3 TYR 32 HB3 TYR 32 0.393 -2.293 5.414
269 HD1 TYR 32 HD1 TYR 32 -0.445 -1.664 9.001
270 HD2 TYR 32 HD2 TYR 32 -1.867 -2.033 5.008
271 HE1 TYR 32 HE1 TYR 32 -2.699 -1.043 9.755
272 HE2 TYR 32 HE2 TYR 32 -4.128 -1.409 5.752
273 HH TYR 32 HH TYR 32 -5.460 -1.424 7.812
274 H ALA 33 H ALA 33 0.432 -4.786 4.780
275 HA ALA 33 HA ALA 33 -2.174 -5.792 5.135
276 HB1 ALA 33 HB1 ALA 33 -1.195 -5.396 2.937
277 HB2 ALA 33 HB2 ALA 33 -1.757 -7.061 3.091
278 HB3 ALA 33 HB3 ALA 33 -0.037 -6.697 3.209
279 H ARG 34 H ARG 34 0.995 -7.134 5.792
280 HA ARG 34 HA ARG 34 0.259 -9.806 6.252
281 HB2 ARG 34 HB2 ARG 34 2.414 -8.208 7.648
282 HB3 ARG 34 HB3 ARG 34 2.299 -9.961 7.592
283 HG2 ARG 34 HG2 ARG 34 2.617 -9.919 5.190
284 HG3 ARG 34 HG3 ARG 34 2.699 -8.159 5.226
285 HD2 ARG 34 HD2 ARG 34 4.930 -9.124 5.113
286 HD3 ARG 34 HD3 ARG 34 4.689 -8.281 6.642
287 HE ARG 34 HE ARG 34 4.147 -11.120 6.703
288 HH11 ARG 34 HH11 ARG 34 6.535 -8.598 7.181
289 HH12 ARG 34 HH12 ARG 34 7.536 -9.573 8.218
290 HH21 ARG 34 HH21 ARG 34 5.466 -12.409 8.038
291 HH22 ARG 34 HH22 ARG 34 6.927 -11.740 8.700
292 H GLU 35 H GLU 35 0.097 -6.932 8.247
293 HA GLU 35 HA GLU 35 -0.306 -8.276 10.700
294 HB2 GLU 35 HB2 GLU 35 0.522 -5.951 10.530
295 HB3 GLU 35 HB3 GLU 35 -1.050 -5.446 9.933
296 HG2 GLU 35 HG2 GLU 35 -2.077 -6.073 12.041
297 HG3 GLU 35 HG3 GLU 35 -0.519 -6.642 12.642
298 H ILE 36 H ILE 36 -2.518 -6.825 8.345
299 HA ILE 36 HA ILE 36 -4.828 -7.552 9.932
300 HB ILE 36 HB ILE 36 -6.137 -6.598 8.022
301 HG12 ILE 36 HG12 ILE 36 -3.376 -5.909 6.983
302 HG13 ILE 36 HG13 ILE 36 -4.522 -7.008 6.223
303 HG21 ILE 36 HG21 ILE 36 -5.513 -4.276 8.508
304 HG22 ILE 36 HG22 ILE 36 -4.003 -4.836 9.226
305 HG23 ILE 36 HG23 ILE 36 -5.543 -5.262 9.971
306 HD11 ILE 36 HD11 ILE 36 -4.908 -4.052 6.619
307 HD12 ILE 36 HD12 ILE 36 -6.057 -5.149 5.854
308 HD13 ILE 36 HD13 ILE 36 -4.489 -4.854 5.106
309 H GLY 37 H GLY 37 -2.947 -8.992 7.458
310 HA2 GLY 37 HA2 GLY 37 -3.122 -11.308 6.993
311 HA3 GLY 37 HA3 GLY 37 -4.809 -11.254 7.476
312 H GLU 38 H GLU 38 -3.045 -9.248 5.159
313 HA GLU 38 HA GLU 38 -4.882 -10.200 3.058
314 HB2 GLU 38 HB2 GLU 38 -3.583 -7.483 3.344
315 HB3 GLU 38 HB3 GLU 38 -4.577 -7.989 1.987
316 HG2 GLU 38 HG2 GLU 38 -5.506 -7.774 4.840
317 HG3 GLU 38 HG3 GLU 38 -5.789 -6.577 3.578
318 HA PRO 39 HA PRO 39 -0.916 -11.529 1.296
319 HB2 PRO 39 HB2 PRO 39 -2.643 -12.897 -0.638
320 HB3 PRO 39 HB3 PRO 39 -1.459 -13.581 0.477
321 HG2 PRO 39 HG2 PRO 39 -4.110 -13.934 0.813
322 HG3 PRO 39 HG3 PRO 39 -2.990 -13.804 2.181
323 HD2 PRO 39 HD2 PRO 39 -4.817 -11.724 1.025
324 HD3 PRO 39 HD3 PRO 39 -4.481 -12.107 2.729
325 H VAL 40 H VAL 40 -3.722 -10.090 -0.192
326 HA VAL 40 HA VAL 40 -2.009 -8.999 -2.331
327 HB VAL 40 HB VAL 40 -5.013 -9.356 -2.401
328 HG11 VAL 40 HG11 VAL 40 -3.064 -8.498 -4.534
329 HG12 VAL 40 HG12 VAL 40 -4.266 -7.480 -3.742
330 HG13 VAL 40 HG13 VAL 40 -4.783 -8.805 -4.785
331 HG21 VAL 40 HG21 VAL 40 -3.838 -11.514 -2.459
332 HG22 VAL 40 HG22 VAL 40 -2.888 -10.949 -3.834
333 HG23 VAL 40 HG23 VAL 40 -4.633 -11.153 -3.991
334 H VAL 41 H VAL 41 -1.659 -6.870 -2.239
335 HA VAL 41 HA VAL 41 -3.037 -5.282 -0.257
336 HB VAL 41 HB VAL 41 -0.960 -4.393 -2.267
337 HG11 VAL 41 HG11 VAL 41 -1.931 -3.134 0.297
338 HG12 VAL 41 HG12 VAL 41 -2.239 -2.552 -1.340
339 HG13 VAL 41 HG13 VAL 41 -0.599 -2.541 -0.692
340 HG21 VAL 41 HG21 VAL 41 0.662 -4.634 -0.443
341 HG22 VAL 41 HG22 VAL 41 -0.075 -6.180 -0.866
342 HG23 VAL 41 HG23 VAL 41 -0.597 -5.319 0.583
343 H THR 42 H THR 42 -5.089 -4.919 -0.871
344 HA THR 42 HA THR 42 -5.728 -4.068 -3.560
345 HB THR 42 HB THR 42 -8.064 -3.959 -2.704
346 HG1 THR 42 HG1 THR 42 -7.893 -5.245 -0.425
347 HG21 THR 42 HG21 THR 42 -8.337 -6.369 -2.353
348 HG22 THR 42 HG22 THR 42 -6.603 -6.529 -2.074
349 HG23 THR 42 HG23 THR 42 -7.201 -6.040 -3.660
350 H ALA 43 H ALA 43 -7.268 -2.121 -3.737
351 HA ALA 43 HA ALA 43 -6.043 0.242 -2.901
352 HB1 ALA 43 HB1 ALA 43 -8.948 -0.165 -3.613
353 HB2 ALA 43 HB2 ALA 43 -7.639 0.110 -4.762
354 HB3 ALA 43 HB3 ALA 43 -8.081 1.371 -3.611
355 H ASP 44 H ASP 44 -8.498 -1.729 -1.369
356 HA ASP 44 HA ASP 44 -9.301 0.147 0.601
357 HB2 ASP 44 HB2 ASP 44 -10.645 -1.827 -0.076
358 HB3 ASP 44 HB3 ASP 44 -9.456 -2.874 0.691
359 H VAL 45 H VAL 45 -6.865 -2.399 0.509
360 HA VAL 45 HA VAL 45 -6.112 -2.259 3.231
361 HB VAL 45 HB VAL 45 -4.480 -3.150 0.844
362 HG11 VAL 45 HG11 VAL 45 -3.051 -2.599 2.749
363 HG12 VAL 45 HG12 VAL 45 -3.079 -4.338 2.459
364 HG13 VAL 45 HG13 VAL 45 -4.016 -3.650 3.785
365 HG21 VAL 45 HG21 VAL 45 -6.523 -4.441 1.129
366 HG22 VAL 45 HG22 VAL 45 -6.122 -4.726 2.824
367 HG23 VAL 45 HG23 VAL 45 -5.112 -5.413 1.550
368 H PHE 46 H PHE 46 -4.749 -0.750 0.314
369 HA PHE 46 HA PHE 46 -2.706 0.672 1.664
370 HB2 PHE 46 HB2 PHE 46 -2.623 0.234 -0.747
371 HB3 PHE 46 HB3 PHE 46 -4.037 1.251 -0.992
372 HD1 PHE 46 HD1 PHE 46 -0.667 1.485 0.598
373 HD2 PHE 46 HD2 PHE 46 -3.666 3.379 -1.753
374 HE1 PHE 46 HE1 PHE 46 0.794 3.444 0.321
375 HE2 PHE 46 HE2 PHE 46 -2.209 5.342 -2.035
376 HZ PHE 46 HZ PHE 46 0.023 5.376 -0.998
377 H ARG 47 H ARG 47 -6.049 1.390 0.918
378 HA ARG 47 HA ARG 47 -6.056 4.125 1.563
379 HB2 ARG 47 HB2 ARG 47 -7.885 3.042 0.373
380 HB3 ARG 47 HB3 ARG 47 -8.247 2.058 1.781
381 HG2 ARG 47 HG2 ARG 47 -9.070 3.907 2.985
382 HG3 ARG 47 HG3 ARG 47 -8.401 5.055 1.819
383 HD2 ARG 47 HD2 ARG 47 -10.857 4.706 1.603
384 HD3 ARG 47 HD3 ARG 47 -9.945 4.349 0.137
385 HE ARG 47 HE ARG 47 -10.763 2.189 1.971
386 HH11 ARG 47 HH11 ARG 47 -10.681 3.639 -1.224
387 HH12 ARG 47 HH12 ARG 47 -11.499 2.308 -1.995
388 HH21 ARG 47 HH21 ARG 47 -11.837 0.421 0.955
389 HH22 ARG 47 HH22 ARG 47 -12.175 0.492 -0.752
390 H LYS 48 H LYS 48 -6.739 1.258 3.555
391 HA LYS 48 HA LYS 48 -7.113 2.669 5.979
392 HB2 LYS 48 HB2 LYS 48 -6.373 -0.189 5.379
393 HB3 LYS 48 HB3 LYS 48 -6.550 0.404 7.022
394 HG2 LYS 48 HG2 LYS 48 -8.868 0.994 6.573
395 HG3 LYS 48 HG3 LYS 48 -8.696 0.428 4.910
396 HD2 LYS 48 HD2 LYS 48 -8.307 -1.825 5.661
397 HD3 LYS 48 HD3 LYS 48 -8.263 -1.302 7.346
398 HE2 LYS 48 HE2 LYS 48 -10.402 -2.348 6.775
399 HE3 LYS 48 HE3 LYS 48 -10.601 -0.656 7.225
400 HZ1 LYS 48 HZ1 LYS 48 -11.919 -1.252 5.281
401 HZ2 LYS 48 HZ2 LYS 48 -10.513 -1.693 4.442
402 HZ3 LYS 48 HZ3 LYS 48 -10.758 -0.078 4.896
403 H ALA 49 H ALA 49 -4.282 1.425 4.340
404 HA ALA 49 HA ALA 49 -2.432 1.578 6.435
405 HB1 ALA 49 HB1 ALA 49 -1.983 1.967 3.480
406 HB2 ALA 49 HB2 ALA 49 -1.940 0.434 4.354
407 HB3 ALA 49 HB3 ALA 49 -0.724 1.669 4.679
408 H LYS 50 H LYS 50 -3.662 4.043 4.239
409 HA LYS 50 HA LYS 50 -1.797 6.058 4.764
410 HB2 LYS 50 HB2 LYS 50 -4.717 6.213 4.044
411 HB3 LYS 50 HB3 LYS 50 -3.700 7.638 4.197
412 HG2 LYS 50 HG2 LYS 50 -2.211 6.694 2.451
413 HG3 LYS 50 HG3 LYS 50 -3.367 5.375 2.243
414 HD2 LYS 50 HD2 LYS 50 -5.074 6.887 1.530
415 HD3 LYS 50 HD3 LYS 50 -4.092 8.287 1.964
416 HE2 LYS 50 HE2 LYS 50 -2.452 7.635 0.238
417 HE3 LYS 50 HE3 LYS 50 -3.501 6.294 -0.223
418 HZ1 LYS 50 HZ1 LYS 50 -3.711 8.326 -1.626
419 HZ2 LYS 50 HZ2 LYS 50 -4.363 9.136 -0.284
420 HZ3 LYS 50 HZ3 LYS 50 -5.168 7.794 -0.943
421 H GLU 51 H GLU 51 -4.560 4.981 6.619
422 HA GLU 51 HA GLU 51 -4.494 7.200 8.448
423 HB2 GLU 51 HB2 GLU 51 -5.786 4.494 8.821
424 HB3 GLU 51 HB3 GLU 51 -6.162 5.973 9.694
425 HG2 GLU 51 HG2 GLU 51 -6.992 6.978 7.627
426 HG3 GLU 51 HG3 GLU 51 -6.620 5.489 6.760
427 H HIS 52 H HIS 52 -3.190 3.958 8.299
428 HA HIS 52 HA HIS 52 -2.411 3.906 11.069
429 HB2 HIS 52 HB2 HIS 52 -3.150 1.914 9.675
430 HB3 HIS 52 HB3 HIS 52 -1.570 1.988 8.904
431 HD1 HIS 52 HD1 HIS 52 -3.308 0.823 11.935
432 HD2 HIS 52 HD2 HIS 52 0.613 1.292 10.632
433 HE1 HIS 52 HE1 HIS 52 -1.894 -0.513 13.533
434 HE2 HIS 52 HE2 HIS 52 0.445 -0.368 12.611
435 H LEU 53 H LEU 53 -0.860 4.627 8.011
436 HA LEU 53 HA LEU 53 1.795 4.472 9.207
437 HB2 LEU 53 HB2 LEU 53 0.949 5.091 6.376
438 HB3 LEU 53 HB3 LEU 53 2.604 4.889 6.916
439 HG LEU 53 HG LEU 53 0.474 2.745 6.943
440 HD11 LEU 53 HD11 LEU 53 1.229 3.329 4.695
441 HD12 LEU 53 HD12 LEU 53 1.783 1.722 5.169
442 HD13 LEU 53 HD13 LEU 53 2.904 3.084 5.194
443 HD21 LEU 53 HD21 LEU 53 2.054 2.468 8.774
444 HD22 LEU 53 HD22 LEU 53 3.405 2.623 7.650
445 HD23 LEU 53 HD23 LEU 53 2.317 1.240 7.536
446 H GLY 54 H GLY 54 -0.519 6.733 9.266
447 HA2 GLY 54 HA2 GLY 54 -0.333 8.898 10.069
448 HA3 GLY 54 HA3 GLY 54 1.409 8.784 9.878
449 H GLY 55 H GLY 55 -1.064 8.303 7.394
450 HA2 GLY 55 HA2 GLY 55 0.175 10.330 5.737
451 HA3 GLY 55 HA3 GLY 55 -1.216 9.336 5.314
452 H LEU 56 H LEU 56 -0.155 12.140 7.121
453 HA LEU 56 HA LEU 56 -2.672 12.967 8.054
454 HB2 LEU 56 HB2 LEU 56 -0.488 13.724 8.944
455 HB3 LEU 56 HB3 LEU 56 -0.230 14.649 7.481
456 HG LEU 56 HG LEU 56 -2.680 15.226 9.087
457 HD11 LEU 56 HD11 LEU 56 0.084 16.205 9.808
458 HD12 LEU 56 HD12 LEU 56 -0.891 15.085 10.759
459 HD13 LEU 56 HD13 LEU 56 -1.433 16.746 10.528
460 HD21 LEU 56 HD21 LEU 56 -0.737 16.948 7.547
461 HD22 LEU 56 HD22 LEU 56 -2.231 17.498 8.306
462 HD23 LEU 56 HD23 LEU 56 -2.291 16.364 6.955
463 H GLU 57 H GLU 57 -4.353 13.537 6.909
464 HA GLU 57 HA GLU 57 -4.189 14.398 4.187
465 HB2 GLU 57 HB2 GLU 57 -6.106 13.107 4.905
466 HB3 GLU 57 HB3 GLU 57 -6.490 14.286 6.152
467 HG2 GLU 57 HG2 GLU 57 -8.010 14.503 4.293
468 HG3 GLU 57 HG3 GLU 57 -7.003 15.940 4.426
469 H HIS 58 H HIS 58 -4.387 16.417 3.352
470 HA HIS 58 HA HIS 58 -3.693 18.589 5.140
471 HB2 HIS 58 HB2 HIS 58 -4.046 18.519 2.130
472 HB3 HIS 58 HB3 HIS 58 -3.498 19.923 3.037
473 HD1 HIS 58 HD1 HIS 58 -1.043 20.175 3.068
474 HD2 HIS 58 HD2 HIS 58 -2.191 16.196 2.675
475 HE1 HIS 58 HE1 HIS 58 1.095 18.863 2.844
476 HE2 HIS 58 HE2 HIS 58 0.369 16.447 2.882
477 H HIS 59 H HIS 59 -6.451 17.373 3.492
478 HA HIS 59 HA HIS 59 -8.636 17.983 3.406
479 HB2 HIS 59 HB2 HIS 59 -8.243 17.946 5.907
480 HB3 HIS 59 HB3 HIS 59 -8.027 19.689 5.832
481 HD1 HIS 59 HD1 HIS 59 -10.077 20.970 6.345
482 HD2 HIS 59 HD2 HIS 59 -10.955 17.213 4.786
483 HE1 HIS 59 HE1 HIS 59 -12.585 20.779 6.396
484 HE2 HIS 59 HE2 HIS 59 -13.101 18.490 5.484
485 H HIS 60 H HIS 60 -7.233 19.245 1.592
486 HA HIS 60 HA HIS 60 -7.315 20.956 0.112
487 HB2 HIS 60 HB2 HIS 60 -9.679 21.159 0.455
488 HB3 HIS 60 HB3 HIS 60 -9.446 22.021 1.970
489 HD1 HIS 60 HD1 HIS 60 -10.572 24.187 1.380
490 HD2 HIS 60 HD2 HIS 60 -7.727 23.052 -1.434
491 HE1 HIS 60 HE1 HIS 60 -10.309 26.163 -0.157
492 HE2 HIS 60 HE2 HIS 60 -8.459 25.515 -1.744
493 H HIS 61 H HIS 61 -5.276 21.647 0.313
494 HA HIS 61 HA HIS 61 -4.233 23.236 2.372
495 HB2 HIS 61 HB2 HIS 61 -2.405 23.769 0.822
496 HB3 HIS 61 HB3 HIS 61 -2.800 22.055 0.768
497 HD1 HIS 61 HD1 HIS 61 -3.710 21.121 -1.451
498 HD2 HIS 61 HD2 HIS 61 -3.029 25.219 -1.525
499 HE1 HIS 61 HE1 HIS 61 -3.870 21.789 -3.868
500 HE2 HIS 61 HE2 HIS 61 -3.729 24.305 -3.840
501 H HIS 62 H HIS 62 -3.706 25.477 2.398
502 HA HIS 62 HA HIS 62 -5.805 27.067 1.087
503 HB2 HIS 62 HB2 HIS 62 -4.255 27.549 3.639
504 HB3 HIS 62 HB3 HIS 62 -5.356 28.724 2.925
505 HD1 HIS 62 HD1 HIS 62 -5.258 25.813 5.138
506 HD2 HIS 62 HD2 HIS 62 -8.105 27.812 2.856
507 HE1 HIS 62 HE1 HIS 62 -7.491 25.030 5.993
508 HE2 HIS 62 HE2 HIS 62 -9.190 26.404 4.729
509 H HIS 63 H HIS 63 -5.208 29.378 0.662
510 HA HIS 63 HA HIS 63 -2.466 29.524 -0.396
511 HB2 HIS 63 HB2 HIS 63 -5.014 30.868 -1.301
512 HB3 HIS 63 HB3 HIS 63 -3.424 31.383 -1.850
513 HD1 HIS 63 HD1 HIS 63 -6.126 29.246 -2.800
514 HD2 HIS 63 HD2 HIS 63 -1.982 29.078 -3.123
515 HE1 HIS 63 HE1 HIS 63 -5.650 27.565 -4.610
516 HE2 HIS 63 HE2 HIS 63 -3.139 27.426 -4.742
Start of MODEL 10
1 H1 MET 1 H1 MET 1 10.663 -12.315 -5.653
2 H2 MET 1 H2 MET 1 9.633 -11.092 -5.078
3 H3 MET 1 H3 MET 1 9.016 -12.625 -5.444
4 HA MET 1 HA MET 1 10.238 -13.627 -3.673
5 HB2 MET 1 HB2 MET 1 11.276 -10.820 -3.275
6 HB3 MET 1 HB3 MET 1 11.371 -12.050 -2.025
7 HG2 MET 1 HG2 MET 1 13.470 -11.934 -3.156
8 HG3 MET 1 HG3 MET 1 12.690 -13.460 -3.567
9 HE1 MET 1 HE1 MET 1 14.316 -13.841 -5.547
10 HE2 MET 1 HE2 MET 1 15.160 -12.326 -5.223
11 HE3 MET 1 HE3 MET 1 14.595 -12.690 -6.853
12 H GLY 2 H GLY 2 10.039 -12.167 -1.157
13 HA2 GLY 2 HA2 GLY 2 7.189 -12.425 -0.844
14 HA3 GLY 2 HA3 GLY 2 8.356 -12.108 0.430
15 H GLU 3 H GLU 3 7.289 -10.413 -2.510
16 HA GLU 3 HA GLU 3 6.753 -8.038 -0.849
17 HB2 GLU 3 HB2 GLU 3 8.214 -8.257 -3.217
18 HB3 GLU 3 HB3 GLU 3 6.656 -7.635 -3.740
19 HG2 GLU 3 HG2 GLU 3 8.331 -6.400 -1.568
20 HG3 GLU 3 HG3 GLU 3 8.350 -5.887 -3.253
21 H LEU 4 H LEU 4 4.700 -7.068 -1.028
22 HA LEU 4 HA LEU 4 2.654 -9.015 -1.266
23 HB2 LEU 4 HB2 LEU 4 2.432 -6.028 -0.957
24 HB3 LEU 4 HB3 LEU 4 1.110 -7.163 -0.769
25 HG LEU 4 HG LEU 4 3.573 -7.026 0.973
26 HD11 LEU 4 HD11 LEU 4 2.033 -6.264 2.693
27 HD12 LEU 4 HD12 LEU 4 0.701 -6.313 1.536
28 HD13 LEU 4 HD13 LEU 4 2.024 -5.168 1.310
29 HD21 LEU 4 HD21 LEU 4 2.747 -9.314 0.733
30 HD22 LEU 4 HD22 LEU 4 1.125 -8.779 1.175
31 HD23 LEU 4 HD23 LEU 4 2.436 -8.690 2.353
32 H SER 5 H SER 5 0.722 -8.864 -2.553
33 HA SER 5 HA SER 5 1.360 -8.246 -5.312
34 HB2 SER 5 HB2 SER 5 -1.114 -9.497 -4.093
35 HB3 SER 5 HB3 SER 5 -0.725 -9.435 -5.815
36 HG SER 5 HG SER 5 1.340 -10.473 -4.452
37 H TRP 6 H TRP 6 0.995 -6.272 -6.067
38 HA TRP 6 HA TRP 6 -1.088 -4.633 -4.808
39 HB2 TRP 6 HB2 TRP 6 1.345 -3.910 -6.444
40 HB3 TRP 6 HB3 TRP 6 0.094 -2.741 -6.031
41 HD1 TRP 6 HD1 TRP 6 2.436 -5.191 -4.113
42 HE1 TRP 6 HE1 TRP 6 3.162 -4.039 -1.933
43 HE3 TRP 6 HE3 TRP 6 -0.227 -0.853 -4.573
44 HZ2 TRP 6 HZ2 TRP 6 2.659 -1.609 -0.582
45 HZ3 TRP 6 HZ3 TRP 6 -0.050 0.833 -2.793
46 HH2 TRP 6 HH2 TRP 6 1.366 0.459 -0.837
47 H THR 7 H THR 7 -2.871 -4.049 -5.898
48 HA THR 7 HA THR 7 -3.269 -5.139 -8.547
49 HB THR 7 HB THR 7 -5.595 -4.278 -8.278
50 HG1 THR 7 HG1 THR 7 -6.152 -3.121 -6.545
51 HG21 THR 7 HG21 THR 7 -5.011 -6.545 -7.568
52 HG22 THR 7 HG22 THR 7 -6.237 -5.846 -6.510
53 HG23 THR 7 HG23 THR 7 -4.559 -5.933 -5.977
54 H ALA 8 H ALA 8 -4.683 -3.609 -10.031
55 HA ALA 8 HA ALA 8 -2.890 -1.631 -10.944
56 HB1 ALA 8 HB1 ALA 8 -4.392 -2.858 -12.432
57 HB2 ALA 8 HB2 ALA 8 -4.562 -1.112 -12.617
58 HB3 ALA 8 HB3 ALA 8 -5.773 -2.026 -11.717
59 H GLU 9 H GLU 9 -5.892 -1.413 -9.059
60 HA GLU 9 HA GLU 9 -6.003 1.433 -9.100
61 HB2 GLU 9 HB2 GLU 9 -7.018 0.086 -6.666
62 HB3 GLU 9 HB3 GLU 9 -7.777 1.300 -7.679
63 HG2 GLU 9 HG2 GLU 9 -9.116 -0.555 -7.957
64 HG3 GLU 9 HG3 GLU 9 -8.069 -0.596 -9.377
65 H ALA 10 H ALA 10 -4.440 -0.928 -7.026
66 HA ALA 10 HA ALA 10 -3.669 0.811 -4.950
67 HB1 ALA 10 HB1 ALA 10 -2.057 -0.915 -4.346
68 HB2 ALA 10 HB2 ALA 10 -2.313 -1.710 -5.899
69 HB3 ALA 10 HB3 ALA 10 -3.628 -1.620 -4.726
70 H GLU 11 H GLU 11 -1.964 -0.253 -7.874
71 HA GLU 11 HA GLU 11 0.368 1.272 -7.493
72 HB2 GLU 11 HB2 GLU 11 -0.954 0.255 -10.012
73 HB3 GLU 11 HB3 GLU 11 0.631 1.018 -9.983
74 HG2 GLU 11 HG2 GLU 11 -0.009 -1.393 -8.318
75 HG3 GLU 11 HG3 GLU 11 0.557 -1.519 -9.982
76 H LYS 12 H LYS 12 -2.771 2.064 -8.781
77 HA LYS 12 HA LYS 12 -2.040 4.614 -9.845
78 HB2 LYS 12 HB2 LYS 12 -4.066 3.169 -10.450
79 HB3 LYS 12 HB3 LYS 12 -4.792 3.741 -8.958
80 HG2 LYS 12 HG2 LYS 12 -3.827 5.614 -11.096
81 HG3 LYS 12 HG3 LYS 12 -5.446 4.919 -11.108
82 HD2 LYS 12 HD2 LYS 12 -5.802 5.885 -8.840
83 HD3 LYS 12 HD3 LYS 12 -4.235 6.684 -8.985
84 HE2 LYS 12 HE2 LYS 12 -5.041 7.833 -11.009
85 HE3 LYS 12 HE3 LYS 12 -6.618 7.072 -10.787
86 HZ1 LYS 12 HZ1 LYS 12 -6.722 8.165 -8.584
87 HZ2 LYS 12 HZ2 LYS 12 -6.700 9.259 -9.875
88 HZ3 LYS 12 HZ3 LYS 12 -5.297 9.004 -8.963
89 H MET 13 H MET 13 -3.504 3.472 -6.828
90 HA MET 13 HA MET 13 -3.809 5.964 -5.552
91 HB2 MET 13 HB2 MET 13 -3.256 3.246 -4.334
92 HB3 MET 13 HB3 MET 13 -3.821 4.655 -3.448
93 HG2 MET 13 HG2 MET 13 -5.342 3.425 -5.726
94 HG3 MET 13 HG3 MET 13 -5.559 2.944 -4.046
95 HE1 MET 13 HE1 MET 13 -5.524 5.370 -2.291
96 HE2 MET 13 HE2 MET 13 -6.873 4.235 -2.293
97 HE3 MET 13 HE3 MET 13 -7.179 5.971 -2.372
98 H LEU 14 H LEU 14 -1.169 3.625 -5.570
99 HA LEU 14 HA LEU 14 0.604 5.179 -3.962
100 HB2 LEU 14 HB2 LEU 14 0.716 2.709 -4.234
101 HB3 LEU 14 HB3 LEU 14 1.204 2.939 -5.901
102 HG LEU 14 HG LEU 14 3.261 4.066 -5.125
103 HD11 LEU 14 HD11 LEU 14 2.407 4.921 -3.003
104 HD12 LEU 14 HD12 LEU 14 3.882 3.983 -2.778
105 HD13 LEU 14 HD13 LEU 14 2.318 3.276 -2.374
106 HD21 LEU 14 HD21 LEU 14 3.274 1.681 -5.608
107 HD22 LEU 14 HD22 LEU 14 2.789 1.328 -3.950
108 HD23 LEU 14 HD23 LEU 14 4.363 2.054 -4.275
109 H GLY 15 H GLY 15 -0.481 5.441 -7.131
110 HA2 GLY 15 HA2 GLY 15 1.848 6.489 -8.389
111 HA3 GLY 15 HA3 GLY 15 0.188 6.675 -8.949
112 H LYS 16 H LYS 16 -0.723 7.870 -6.452
113 HA LYS 16 HA LYS 16 -0.097 10.598 -6.946
114 HB2 LYS 16 HB2 LYS 16 -1.486 9.240 -4.630
115 HB3 LYS 16 HB3 LYS 16 -1.311 10.983 -4.760
116 HG2 LYS 16 HG2 LYS 16 -2.571 10.911 -6.888
117 HG3 LYS 16 HG3 LYS 16 -2.810 9.179 -6.646
118 HD2 LYS 16 HD2 LYS 16 -4.028 9.590 -4.599
119 HD3 LYS 16 HD3 LYS 16 -3.697 11.319 -4.713
120 HE2 LYS 16 HE2 LYS 16 -4.980 11.413 -6.803
121 HE3 LYS 16 HE3 LYS 16 -5.332 9.691 -6.654
122 HZ1 LYS 16 HZ1 LYS 16 -7.162 11.072 -5.853
123 HZ2 LYS 16 HZ2 LYS 16 -6.144 11.786 -4.705
124 HZ3 LYS 16 HZ3 LYS 16 -6.514 10.131 -4.601
125 H VAL 17 H VAL 17 1.407 8.134 -5.172
126 HA VAL 17 HA VAL 17 2.823 9.963 -3.397
127 HB VAL 17 HB VAL 17 2.909 6.943 -3.562
128 HG11 VAL 17 HG11 VAL 17 4.968 7.873 -2.653
129 HG12 VAL 17 HG12 VAL 17 4.041 7.048 -1.400
130 HG13 VAL 17 HG13 VAL 17 4.040 8.810 -1.482
131 HG21 VAL 17 HG21 VAL 17 0.728 7.732 -2.849
132 HG22 VAL 17 HG22 VAL 17 1.474 8.759 -1.625
133 HG23 VAL 17 HG23 VAL 17 1.587 7.004 -1.492
134 HA PRO 18 HA PRO 18 6.113 10.259 -6.434
135 HB2 PRO 18 HB2 PRO 18 7.560 11.271 -4.045
136 HB3 PRO 18 HB3 PRO 18 7.366 12.005 -5.640
137 HG2 PRO 18 HG2 PRO 18 6.014 12.933 -3.540
138 HG3 PRO 18 HG3 PRO 18 5.267 12.849 -5.145
139 HD2 PRO 18 HD2 PRO 18 4.891 11.058 -2.782
140 HD3 PRO 18 HD3 PRO 18 3.700 11.626 -3.969
141 H PHE 19 H PHE 19 7.847 9.001 -6.932
142 HA PHE 19 HA PHE 19 8.085 6.538 -5.664
143 HB2 PHE 19 HB2 PHE 19 10.045 6.171 -7.154
144 HB3 PHE 19 HB3 PHE 19 8.602 6.730 -7.987
145 HD1 PHE 19 HD2 PHE 19 8.488 9.011 -8.879
146 HD2 PHE 19 HD1 PHE 19 12.030 7.494 -7.074
147 HE1 PHE 19 HE2 PHE 19 9.783 10.831 -9.904
148 HE2 PHE 19 HE1 PHE 19 13.334 9.312 -8.098
149 HZ PHE 19 HZ PHE 19 12.208 10.985 -9.516
150 H PHE 20 H PHE 20 9.700 9.498 -4.962
151 HA PHE 20 HA PHE 20 12.057 8.630 -3.761
152 HB2 PHE 20 HB2 PHE 20 10.307 10.896 -2.780
153 HB3 PHE 20 HB3 PHE 20 12.038 10.715 -2.522
154 HD1 PHE 20 HD2 PHE 20 13.524 10.692 -4.632
155 HD2 PHE 20 HD1 PHE 20 9.521 12.127 -4.554
156 HE1 PHE 20 HE2 PHE 20 13.957 11.996 -6.671
157 HE2 PHE 20 HE1 PHE 20 9.946 13.432 -6.598
158 HZ PHE 20 HZ PHE 20 12.166 13.369 -7.655
159 H VAL 21 H VAL 21 8.798 8.931 -2.419
160 HA VAL 21 HA VAL 21 9.737 7.593 0.024
161 HB VAL 21 HB VAL 21 7.711 8.462 1.118
162 HG11 VAL 21 HG11 VAL 21 9.328 10.596 -0.273
163 HG12 VAL 21 HG12 VAL 21 9.785 9.750 1.207
164 HG13 VAL 21 HG13 VAL 21 8.375 10.810 1.197
165 HG21 VAL 21 HG21 VAL 21 6.321 10.138 -0.001
166 HG22 VAL 21 HG22 VAL 21 6.244 8.584 -0.831
167 HG23 VAL 21 HG23 VAL 21 7.223 9.892 -1.497
168 H ARG 22 H ARG 22 8.236 6.961 -2.830
169 HA ARG 22 HA ARG 22 6.046 5.362 -2.174
170 HB2 ARG 22 HB2 ARG 22 6.363 6.032 -4.444
171 HB3 ARG 22 HB3 ARG 22 7.951 5.285 -4.514
172 HG2 ARG 22 HG2 ARG 22 6.929 3.083 -4.357
173 HG3 ARG 22 HG3 ARG 22 5.332 3.827 -4.266
174 HD2 ARG 22 HD2 ARG 22 7.229 4.229 -6.573
175 HD3 ARG 22 HD3 ARG 22 6.005 2.961 -6.531
176 HE ARG 22 HE ARG 22 4.931 5.585 -6.061
177 HH11 ARG 22 HH11 ARG 22 5.943 3.331 -8.545
178 HH12 ARG 22 HH12 ARG 22 4.824 3.934 -9.731
179 HH21 ARG 22 HH21 ARG 22 3.477 6.400 -7.622
180 HH22 ARG 22 HH22 ARG 22 3.414 5.677 -9.203
181 H LYS 23 H LYS 23 9.480 4.583 -2.398
182 HA LYS 23 HA LYS 23 9.315 1.814 -2.026
183 HB2 LYS 23 HB2 LYS 23 11.450 3.803 -1.262
184 HB3 LYS 23 HB3 LYS 23 11.638 2.075 -1.021
185 HG2 LYS 23 HG2 LYS 23 11.200 3.438 -3.671
186 HG3 LYS 23 HG3 LYS 23 12.737 2.822 -3.059
187 HD2 LYS 23 HD2 LYS 23 11.513 0.569 -2.859
188 HD3 LYS 23 HD3 LYS 23 10.303 1.292 -3.918
189 HE2 LYS 23 HE2 LYS 23 13.243 1.018 -4.533
190 HE3 LYS 23 HE3 LYS 23 11.968 -0.020 -5.162
191 HZ1 LYS 23 HZ1 LYS 23 12.145 2.909 -5.650
192 HZ2 LYS 23 HZ2 LYS 23 11.040 1.831 -6.350
193 HZ3 LYS 23 HZ3 LYS 23 12.685 1.719 -6.728
194 H LYS 24 H LYS 24 9.385 4.471 0.281
195 HA LYS 24 HA LYS 24 9.567 2.864 2.611
196 HB2 LYS 24 HB2 LYS 24 8.449 5.659 2.325
197 HB3 LYS 24 HB3 LYS 24 8.944 4.892 3.827
198 HG2 LYS 24 HG2 LYS 24 11.256 4.786 2.974
199 HG3 LYS 24 HG3 LYS 24 10.729 5.641 1.522
200 HD2 LYS 24 HD2 LYS 24 11.725 7.197 3.095
201 HD3 LYS 24 HD3 LYS 24 10.001 7.525 2.917
202 HE2 LYS 24 HE2 LYS 24 9.571 6.257 4.982
203 HE3 LYS 24 HE3 LYS 24 11.305 6.003 5.169
204 HZ1 LYS 24 HZ1 LYS 24 10.539 7.834 6.527
205 HZ2 LYS 24 HZ2 LYS 24 9.927 8.636 5.162
206 HZ3 LYS 24 HZ3 LYS 24 11.599 8.399 5.330
207 H VAL 25 H VAL 25 6.861 4.340 0.872
208 HA VAL 25 HA VAL 25 4.821 3.716 2.666
209 HB VAL 25 HB VAL 25 4.644 3.911 -0.347
210 HG11 VAL 25 HG11 VAL 25 2.704 2.766 0.587
211 HG12 VAL 25 HG12 VAL 25 2.264 4.375 0.016
212 HG13 VAL 25 HG13 VAL 25 2.473 4.078 1.743
213 HG21 VAL 25 HG21 VAL 25 3.934 6.213 0.064
214 HG22 VAL 25 HG22 VAL 25 5.550 5.925 0.709
215 HG23 VAL 25 HG23 VAL 25 4.162 5.979 1.797
216 H ARG 26 H ARG 26 6.067 1.822 -0.085
217 HA ARG 26 HA ARG 26 4.252 -0.299 0.150
218 HB2 ARG 26 HB2 ARG 26 6.963 -0.045 -1.074
219 HB3 ARG 26 HB3 ARG 26 6.251 -1.643 -0.896
220 HG2 ARG 26 HG2 ARG 26 4.188 -0.562 -2.045
221 HG3 ARG 26 HG3 ARG 26 5.357 0.651 -2.575
222 HD2 ARG 26 HD2 ARG 26 6.696 -1.021 -3.651
223 HD3 ARG 26 HD3 ARG 26 5.701 -2.312 -2.981
224 HE ARG 26 HE ARG 26 4.340 -0.401 -4.690
225 HH11 ARG 26 HH11 ARG 26 5.791 -3.569 -4.325
226 HH12 ARG 26 HH12 ARG 26 5.132 -4.166 -5.818
227 HH21 ARG 26 HH21 ARG 26 3.436 -1.214 -6.647
228 HH22 ARG 26 HH22 ARG 26 3.823 -2.841 -7.136
229 H LYS 27 H LYS 27 7.438 0.165 1.643
230 HA LYS 27 HA LYS 27 7.503 -2.375 2.889
231 HB2 LYS 27 HB2 LYS 27 9.492 -0.923 2.533
232 HB3 LYS 27 HB3 LYS 27 8.890 0.161 3.781
233 HG2 LYS 27 HG2 LYS 27 9.150 -1.516 5.459
234 HG3 LYS 27 HG3 LYS 27 9.516 -2.744 4.246
235 HD2 LYS 27 HD2 LYS 27 11.547 -1.481 3.628
236 HD3 LYS 27 HD3 LYS 27 11.192 -0.325 4.913
237 HE2 LYS 27 HE2 LYS 27 11.399 -2.061 6.582
238 HE3 LYS 27 HE3 LYS 27 11.629 -3.278 5.327
239 HZ1 LYS 27 HZ1 LYS 27 13.724 -2.623 6.332
240 HZ2 LYS 27 HZ2 LYS 27 13.463 -1.004 5.879
241 HZ3 LYS 27 HZ3 LYS 27 13.687 -2.193 4.691
242 H ASN 28 H ASN 28 6.234 0.747 3.867
243 HA ASN 28 HA ASN 28 5.601 -0.010 6.533
244 HB2 ASN 28 HB2 ASN 28 4.821 2.257 4.748
245 HB3 ASN 28 HB3 ASN 28 3.894 1.977 6.216
246 HD21 ASN 28 HD21 ASN 28 6.988 2.877 4.905
247 HD22 ASN 28 HD22 ASN 28 7.657 3.486 6.381
248 H THR 29 H THR 29 3.735 0.031 3.503
249 HA THR 29 HA THR 29 1.332 -0.896 4.697
250 HB THR 29 HB THR 29 0.715 -1.581 2.354
251 HG1 THR 29 HG1 THR 29 2.977 -1.785 1.661
252 HG21 THR 29 HG21 THR 29 0.499 0.740 1.549
253 HG22 THR 29 HG22 THR 29 1.625 1.257 2.805
254 HG23 THR 29 HG23 THR 29 0.060 0.577 3.249
255 H ASP 30 H ASP 30 4.119 -2.479 3.261
256 HA ASP 30 HA ASP 30 3.216 -5.091 3.101
257 HB2 ASP 30 HB2 ASP 30 5.415 -4.482 2.286
258 HB3 ASP 30 HB3 ASP 30 5.946 -4.067 3.913
259 H ASN 31 H ASN 31 4.704 -3.442 5.846
260 HA ASN 31 HA ASN 31 4.437 -5.601 7.646
261 HB2 ASN 31 HB2 ASN 31 4.925 -2.659 8.001
262 HB3 ASN 31 HB3 ASN 31 4.684 -3.704 9.395
263 HD21 ASN 31 HD21 ASN 31 6.775 -2.919 6.722
264 HD22 ASN 31 HD22 ASN 31 8.148 -3.806 7.285
265 H TYR 32 H TYR 32 2.253 -3.028 6.683
266 HA TYR 32 HA TYR 32 0.470 -3.404 8.898
267 HB2 TYR 32 HB2 TYR 32 0.552 -1.272 7.671
268 HB3 TYR 32 HB3 TYR 32 -0.030 -2.084 6.221
269 HD1 TYR 32 HD1 TYR 32 -0.972 -1.301 9.733
270 HD2 TYR 32 HD2 TYR 32 -2.329 -2.282 5.820
271 HE1 TYR 32 HE1 TYR 32 -3.291 -0.890 10.440
272 HE2 TYR 32 HE2 TYR 32 -4.651 -1.875 6.518
273 HH TYR 32 HH TYR 32 -5.969 -1.856 8.619
274 H ALA 33 H ALA 33 0.350 -4.311 5.465
275 HA ALA 33 HA ALA 33 -2.117 -5.688 5.660
276 HB1 ALA 33 HB1 ALA 33 0.046 -5.912 3.577
277 HB2 ALA 33 HB2 ALA 33 -1.304 -4.775 3.560
278 HB3 ALA 33 HB3 ALA 33 -1.606 -6.509 3.419
279 H ARG 34 H ARG 34 1.258 -6.788 5.759
280 HA ARG 34 HA ARG 34 0.704 -9.550 5.898
281 HB2 ARG 34 HB2 ARG 34 3.019 -7.806 6.482
282 HB3 ARG 34 HB3 ARG 34 3.004 -9.355 7.315
283 HG2 ARG 34 HG2 ARG 34 2.882 -10.531 5.226
284 HG3 ARG 34 HG3 ARG 34 2.735 -9.012 4.340
285 HD2 ARG 34 HD2 ARG 34 4.945 -8.404 4.773
286 HD3 ARG 34 HD3 ARG 34 5.092 -9.544 6.110
287 HE ARG 34 HE ARG 34 4.728 -11.204 4.062
288 HH11 ARG 34 HH11 ARG 34 6.746 -8.350 4.241
289 HH12 ARG 34 HH12 ARG 34 7.996 -9.030 3.250
290 HH21 ARG 34 HH21 ARG 34 6.359 -12.094 2.751
291 HH22 ARG 34 HH22 ARG 34 7.793 -11.162 2.415
292 H GLU 35 H GLU 35 0.580 -7.024 8.264
293 HA GLU 35 HA GLU 35 0.583 -8.731 10.547
294 HB2 GLU 35 HB2 GLU 35 1.252 -6.355 10.652
295 HB3 GLU 35 HB3 GLU 35 -0.391 -5.881 10.255
296 HG2 GLU 35 HG2 GLU 35 0.020 -5.625 12.617
297 HG3 GLU 35 HG3 GLU 35 -1.184 -6.882 12.339
298 H ILE 36 H ILE 36 -1.934 -7.060 8.678
299 HA ILE 36 HA ILE 36 -4.022 -8.088 10.383
300 HB ILE 36 HB ILE 36 -5.566 -6.937 8.831
301 HG12 ILE 36 HG12 ILE 36 -3.012 -6.150 7.409
302 HG13 ILE 36 HG13 ILE 36 -4.293 -7.167 6.756
303 HG21 ILE 36 HG21 ILE 36 -4.822 -4.657 9.403
304 HG22 ILE 36 HG22 ILE 36 -3.243 -5.302 9.848
305 HG23 ILE 36 HG23 ILE 36 -4.675 -5.774 10.761
306 HD11 ILE 36 HD11 ILE 36 -4.548 -4.262 7.492
307 HD12 ILE 36 HD12 ILE 36 -5.832 -5.279 6.838
308 HD13 ILE 36 HD13 ILE 36 -4.409 -4.919 5.861
309 H GLY 37 H GLY 37 -2.458 -9.097 7.489
310 HA2 GLY 37 HA2 GLY 37 -2.610 -11.402 6.865
311 HA3 GLY 37 HA3 GLY 37 -4.264 -11.419 7.451
312 H GLU 38 H GLU 38 -2.758 -9.064 5.270
313 HA GLU 38 HA GLU 38 -4.456 -10.121 3.104
314 HB2 GLU 38 HB2 GLU 38 -3.834 -7.201 3.625
315 HB3 GLU 38 HB3 GLU 38 -4.744 -7.827 2.258
316 HG2 GLU 38 HG2 GLU 38 -6.382 -8.759 3.925
317 HG3 GLU 38 HG3 GLU 38 -5.529 -7.831 5.155
318 HA PRO 39 HA PRO 39 -0.299 -10.243 1.335
319 HB2 PRO 39 HB2 PRO 39 -0.791 -12.185 -0.455
320 HB3 PRO 39 HB3 PRO 39 -0.583 -12.542 1.264
321 HG2 PRO 39 HG2 PRO 39 -3.097 -12.342 -0.339
322 HG3 PRO 39 HG3 PRO 39 -2.672 -13.487 0.942
323 HD2 PRO 39 HD2 PRO 39 -4.254 -11.252 1.296
324 HD3 PRO 39 HD3 PRO 39 -3.362 -12.074 2.590
325 H VAL 40 H VAL 40 -3.258 -9.265 0.134
326 HA VAL 40 HA VAL 40 -2.066 -8.313 -2.381
327 HB VAL 40 HB VAL 40 -4.968 -9.053 -1.928
328 HG11 VAL 40 HG11 VAL 40 -5.207 -8.687 -4.344
329 HG12 VAL 40 HG12 VAL 40 -3.525 -8.166 -4.430
330 HG13 VAL 40 HG13 VAL 40 -4.696 -7.216 -3.517
331 HG21 VAL 40 HG21 VAL 40 -2.827 -10.456 -3.529
332 HG22 VAL 40 HG22 VAL 40 -4.530 -10.911 -3.470
333 HG23 VAL 40 HG23 VAL 40 -3.534 -11.027 -2.019
334 H VAL 41 H VAL 41 -1.917 -6.186 -2.473
335 HA VAL 41 HA VAL 41 -3.543 -4.571 -0.644
336 HB VAL 41 HB VAL 41 -1.115 -3.756 -2.257
337 HG11 VAL 41 HG11 VAL 41 -1.136 -1.729 -0.894
338 HG12 VAL 41 HG12 VAL 41 -2.611 -2.271 -0.094
339 HG13 VAL 41 HG13 VAL 41 -2.632 -1.885 -1.816
340 HG21 VAL 41 HG21 VAL 41 -0.527 -5.347 -0.518
341 HG22 VAL 41 HG22 VAL 41 -1.393 -4.383 0.680
342 HG23 VAL 41 HG23 VAL 41 0.052 -3.735 -0.096
343 H THR 42 H THR 42 -5.386 -3.929 -1.503
344 HA THR 42 HA THR 42 -5.481 -3.121 -4.321
345 HB THR 42 HB THR 42 -7.945 -3.099 -3.998
346 HG1 THR 42 HG1 THR 42 -8.568 -4.264 -1.928
347 HG21 THR 42 HG21 THR 42 -6.577 -5.669 -3.185
348 HG22 THR 42 HG22 THR 42 -6.902 -5.130 -4.833
349 HG23 THR 42 HG23 THR 42 -8.240 -5.540 -3.759
350 H ALA 43 H ALA 43 -7.343 -1.227 -4.453
351 HA ALA 43 HA ALA 43 -6.292 1.127 -3.359
352 HB1 ALA 43 HB1 ALA 43 -7.776 1.127 -5.296
353 HB2 ALA 43 HB2 ALA 43 -8.409 2.178 -4.030
354 HB3 ALA 43 HB3 ALA 43 -9.115 0.581 -4.288
355 H ASP 44 H ASP 44 -8.628 -1.172 -2.165
356 HA ASP 44 HA ASP 44 -9.634 0.321 0.008
357 HB2 ASP 44 HB2 ASP 44 -10.834 -1.627 -0.746
358 HB3 ASP 44 HB3 ASP 44 -9.439 -2.661 -0.459
359 H VAL 45 H VAL 45 -7.112 -2.182 -0.138
360 HA VAL 45 HA VAL 45 -6.425 -2.099 2.581
361 HB VAL 45 HB VAL 45 -4.614 -2.836 0.273
362 HG11 VAL 45 HG11 VAL 45 -3.451 -2.551 2.407
363 HG12 VAL 45 HG12 VAL 45 -3.461 -4.238 1.891
364 HG13 VAL 45 HG13 VAL 45 -4.558 -3.697 3.162
365 HG21 VAL 45 HG21 VAL 45 -6.720 -4.063 0.150
366 HG22 VAL 45 HG22 VAL 45 -6.536 -4.569 1.828
367 HG23 VAL 45 HG23 VAL 45 -5.394 -5.132 0.608
368 H PHE 46 H PHE 46 -5.311 -0.229 -0.179
369 HA PHE 46 HA PHE 46 -3.091 1.007 1.012
370 HB2 PHE 46 HB2 PHE 46 -3.712 1.040 -1.437
371 HB3 PHE 46 HB3 PHE 46 -4.918 2.258 -1.043
372 HD1 PHE 46 HD1 PHE 46 -1.295 1.543 -1.058
373 HD2 PHE 46 HD2 PHE 46 -4.321 4.525 -0.787
374 HE1 PHE 46 HE1 PHE 46 0.414 3.295 -1.321
375 HE2 PHE 46 HE2 PHE 46 -2.618 6.280 -1.047
376 HZ PHE 46 HZ PHE 46 -0.248 5.666 -1.316
377 H ARG 47 H ARG 47 -6.503 1.971 0.891
378 HA ARG 47 HA ARG 47 -6.211 4.424 2.260
379 HB2 ARG 47 HB2 ARG 47 -8.585 2.568 2.025
380 HB3 ARG 47 HB3 ARG 47 -8.660 4.189 2.706
381 HG2 ARG 47 HG2 ARG 47 -7.997 5.150 0.595
382 HG3 ARG 47 HG3 ARG 47 -7.795 3.542 -0.102
383 HD2 ARG 47 HD2 ARG 47 -10.175 3.101 0.216
384 HD3 ARG 47 HD3 ARG 47 -10.379 4.701 0.931
385 HE ARG 47 HE ARG 47 -9.677 5.611 -1.262
386 HH11 ARG 47 HH11 ARG 47 -11.046 2.388 -1.047
387 HH12 ARG 47 HH12 ARG 47 -11.513 2.339 -2.718
388 HH21 ARG 47 HH21 ARG 47 -10.292 5.551 -3.459
389 HH22 ARG 47 HH22 ARG 47 -11.102 4.147 -4.091
390 H LYS 48 H LYS 48 -6.968 1.162 3.375
391 HA LYS 48 HA LYS 48 -7.385 1.706 6.089
392 HB2 LYS 48 HB2 LYS 48 -6.179 -0.762 4.818
393 HB3 LYS 48 HB3 LYS 48 -6.839 -0.673 6.446
394 HG2 LYS 48 HG2 LYS 48 -9.037 -0.431 5.657
395 HG3 LYS 48 HG3 LYS 48 -8.493 -0.065 4.018
396 HD2 LYS 48 HD2 LYS 48 -9.342 -2.316 4.087
397 HD3 LYS 48 HD3 LYS 48 -7.597 -2.364 3.844
398 HE2 LYS 48 HE2 LYS 48 -7.299 -2.826 6.241
399 HE3 LYS 48 HE3 LYS 48 -9.049 -2.813 6.451
400 HZ1 LYS 48 HZ1 LYS 48 -8.342 -5.067 6.241
401 HZ2 LYS 48 HZ2 LYS 48 -7.448 -4.732 4.840
402 HZ3 LYS 48 HZ3 LYS 48 -9.144 -4.654 4.805
403 H ALA 49 H ALA 49 -4.441 0.972 4.288
404 HA ALA 49 HA ALA 49 -2.719 0.829 6.528
405 HB1 ALA 49 HB1 ALA 49 -0.920 0.845 4.917
406 HB2 ALA 49 HB2 ALA 49 -2.010 1.430 3.661
407 HB3 ALA 49 HB3 ALA 49 -2.230 -0.184 4.336
408 H LYS 50 H LYS 50 -3.360 3.439 4.178
409 HA LYS 50 HA LYS 50 -1.442 5.238 5.058
410 HB2 LYS 50 HB2 LYS 50 -4.139 5.742 3.814
411 HB3 LYS 50 HB3 LYS 50 -2.966 7.017 4.110
412 HG2 LYS 50 HG2 LYS 50 -2.416 4.583 2.424
413 HG3 LYS 50 HG3 LYS 50 -2.974 6.131 1.786
414 HD2 LYS 50 HD2 LYS 50 -0.583 6.173 3.537
415 HD3 LYS 50 HD3 LYS 50 -0.387 5.470 1.932
416 HE2 LYS 50 HE2 LYS 50 0.175 7.824 1.870
417 HE3 LYS 50 HE3 LYS 50 -1.289 7.535 0.938
418 HZ1 LYS 50 HZ1 LYS 50 -1.295 8.521 3.739
419 HZ2 LYS 50 HZ2 LYS 50 -2.609 8.447 2.671
420 HZ3 LYS 50 HZ3 LYS 50 -1.342 9.536 2.385
421 H GLU 51 H GLU 51 -4.622 4.597 6.410
422 HA GLU 51 HA GLU 51 -4.775 6.858 8.092
423 HB2 GLU 51 HB2 GLU 51 -6.743 5.526 7.647
424 HB3 GLU 51 HB3 GLU 51 -5.992 4.108 8.369
425 HG2 GLU 51 HG2 GLU 51 -5.929 5.305 10.534
426 HG3 GLU 51 HG3 GLU 51 -6.815 6.631 9.785
427 H HIS 52 H HIS 52 -3.670 3.536 8.731
428 HA HIS 52 HA HIS 52 -2.942 4.106 11.430
429 HB2 HIS 52 HB2 HIS 52 -3.605 1.856 10.786
430 HB3 HIS 52 HB3 HIS 52 -2.277 1.758 9.639
431 HD1 HIS 52 HD1 HIS 52 -2.882 1.952 13.381
432 HD2 HIS 52 HD2 HIS 52 0.049 0.777 10.669
433 HE1 HIS 52 HE1 HIS 52 -1.106 0.802 14.746
434 HE2 HIS 52 HE2 HIS 52 0.521 -0.113 13.052
435 H LEU 53 H LEU 53 -1.192 3.893 8.379
436 HA LEU 53 HA LEU 53 1.407 4.065 9.491
437 HB2 LEU 53 HB2 LEU 53 0.457 4.869 6.740
438 HB3 LEU 53 HB3 LEU 53 2.129 4.640 7.218
439 HG LEU 53 HG LEU 53 0.012 2.490 7.125
440 HD11 LEU 53 HD11 LEU 53 0.708 3.209 4.912
441 HD12 LEU 53 HD12 LEU 53 1.344 1.603 5.269
442 HD13 LEU 53 HD13 LEU 53 2.402 3.011 5.362
443 HD21 LEU 53 HD21 LEU 53 2.952 2.303 7.768
444 HD22 LEU 53 HD22 LEU 53 1.839 0.944 7.615
445 HD23 LEU 53 HD23 LEU 53 1.631 2.113 8.919
446 H GLY 54 H GLY 54 -0.973 6.453 8.555
447 HA2 GLY 54 HA2 GLY 54 0.905 8.589 9.343
448 HA3 GLY 54 HA3 GLY 54 -0.503 8.816 8.313
449 H GLY 55 H GLY 55 -0.433 6.925 11.270
450 HA2 GLY 55 HA2 GLY 55 -2.644 8.535 12.274
451 HA3 GLY 55 HA3 GLY 55 -2.119 6.981 12.902
452 H LEU 56 H LEU 56 0.585 8.815 12.493
453 HA LEU 56 HA LEU 56 1.237 9.015 15.181
454 HB2 LEU 56 HB2 LEU 56 2.230 10.683 12.867
455 HB3 LEU 56 HB3 LEU 56 2.933 10.727 14.470
456 HG LEU 56 HG LEU 56 3.371 8.218 14.165
457 HD11 LEU 56 HD11 LEU 56 1.897 7.884 12.245
458 HD12 LEU 56 HD12 LEU 56 3.564 7.448 11.866
459 HD13 LEU 56 HD13 LEU 56 2.896 8.977 11.290
460 HD21 LEU 56 HD21 LEU 56 5.431 8.661 12.900
461 HD22 LEU 56 HD22 LEU 56 5.131 9.887 14.132
462 HD23 LEU 56 HD23 LEU 56 4.792 10.239 12.438
463 H GLU 57 H GLU 57 0.604 11.849 13.130
464 HA GLU 57 HA GLU 57 -0.483 13.216 15.470
465 HB2 GLU 57 HB2 GLU 57 1.205 14.272 13.814
466 HB3 GLU 57 HB3 GLU 57 -0.167 14.421 12.727
467 HG2 GLU 57 HG2 GLU 57 0.040 15.632 15.474
468 HG3 GLU 57 HG3 GLU 57 0.272 16.486 13.951
469 H HIS 58 H HIS 58 -2.346 12.032 15.656
470 HA HIS 58 HA HIS 58 -4.614 13.143 14.458
471 HB2 HIS 58 HB2 HIS 58 -3.589 11.450 12.650
472 HB3 HIS 58 HB3 HIS 58 -4.469 10.278 13.626
473 HD1 HIS 58 HD1 HIS 58 -5.289 13.686 12.113
474 HD2 HIS 58 HD2 HIS 58 -6.949 9.904 12.633
475 HE1 HIS 58 HE1 HIS 58 -7.533 13.771 10.988
476 HE2 HIS 58 HE2 HIS 58 -8.421 11.412 11.126
477 H HIS 59 H HIS 59 -3.270 10.152 15.796
478 HA HIS 59 HA HIS 59 -3.538 9.149 17.815
479 HB2 HIS 59 HB2 HIS 59 -5.100 11.592 18.663
480 HB3 HIS 59 HB3 HIS 59 -4.291 10.432 19.707
481 HD1 HIS 59 HD1 HIS 59 -1.497 10.358 19.048
482 HD2 HIS 59 HD2 HIS 59 -3.674 13.855 18.449
483 HE1 HIS 59 HE1 HIS 59 0.197 12.216 18.973
484 HE2 HIS 59 HE2 HIS 59 -1.153 14.333 18.765
485 H HIS 60 H HIS 60 -5.790 9.156 15.673
486 HA HIS 60 HA HIS 60 -8.097 8.715 17.416
487 HB2 HIS 60 HB2 HIS 60 -8.281 10.273 15.447
488 HB3 HIS 60 HB3 HIS 60 -8.081 8.871 14.400
489 HD1 HIS 60 HD1 HIS 60 -10.606 10.838 16.085
490 HD2 HIS 60 HD2 HIS 60 -10.263 6.898 14.789
491 HE1 HIS 60 HE1 HIS 60 -12.951 9.921 16.045
492 HE2 HIS 60 HE2 HIS 60 -12.698 7.494 15.436
493 H HIS 61 H HIS 61 -8.433 6.745 18.083
494 HA HIS 61 HA HIS 61 -7.669 4.399 16.594
495 HB2 HIS 61 HB2 HIS 61 -7.684 4.253 19.001
496 HB3 HIS 61 HB3 HIS 61 -9.340 4.840 19.085
497 HD1 HIS 61 HD1 HIS 61 -7.315 1.754 18.540
498 HD2 HIS 61 HD2 HIS 61 -11.316 2.907 18.520
499 HE1 HIS 61 HE1 HIS 61 -8.641 -0.382 18.574
500 HE2 HIS 61 HE2 HIS 61 -11.058 0.341 18.717
501 H HIS 62 H HIS 62 -8.729 3.983 14.729
502 HA HIS 62 HA HIS 62 -11.224 5.120 14.100
503 HB2 HIS 62 HB2 HIS 62 -11.039 4.144 12.001
504 HB3 HIS 62 HB3 HIS 62 -9.360 4.269 12.503
505 HD1 HIS 62 HD1 HIS 62 -8.049 2.087 12.765
506 HD2 HIS 62 HD2 HIS 62 -12.070 1.513 11.880
507 HE1 HIS 62 HE1 HIS 62 -8.284 -0.357 12.238
508 HE2 HIS 62 HE2 HIS 62 -10.663 -0.608 11.453
509 H HIS 63 H HIS 63 -13.255 4.262 13.874
510 HA HIS 63 HA HIS 63 -13.734 1.749 15.340
511 HB2 HIS 63 HB2 HIS 63 -14.694 3.920 16.277
512 HB3 HIS 63 HB3 HIS 63 -15.749 3.954 14.868
513 HD1 HIS 63 HD1 HIS 63 -17.707 2.246 14.808
514 HD2 HIS 63 HD2 HIS 63 -15.314 2.008 18.206
515 HE1 HIS 63 HE1 HIS 63 -18.987 0.827 16.444
516 HE2 HIS 63 HE2 HIS 63 -17.559 0.759 18.524
Start of MODEL 11
1 H1 MET 1 H1 MET 1 2.865 -16.243 3.685
2 H2 MET 1 H2 MET 1 4.244 -17.151 3.282
3 H3 MET 1 H3 MET 1 3.072 -16.819 2.104
4 HA MET 1 HA MET 1 3.546 -14.491 2.201
5 HB2 MET 1 HB2 MET 1 4.214 -14.351 4.538
6 HB3 MET 1 HB3 MET 1 5.648 -15.316 4.212
7 HG2 MET 1 HG2 MET 1 6.160 -12.929 4.401
8 HG3 MET 1 HG3 MET 1 6.550 -13.576 2.808
9 HE1 MET 1 HE1 MET 1 6.736 -11.139 1.802
10 HE2 MET 1 HE2 MET 1 6.367 -10.458 3.388
11 HE3 MET 1 HE3 MET 1 5.477 -9.915 1.966
12 H GLY 2 H GLY 2 4.242 -14.326 0.224
13 HA2 GLY 2 HA2 GLY 2 6.988 -14.935 -0.434
14 HA3 GLY 2 HA3 GLY 2 5.806 -15.920 -1.294
15 H GLU 3 H GLU 3 6.542 -12.561 -0.472
16 HA GLU 3 HA GLU 3 6.215 -10.584 -1.528
17 HB2 GLU 3 HB2 GLU 3 7.316 -11.745 -3.472
18 HB3 GLU 3 HB3 GLU 3 5.712 -12.161 -4.062
19 HG2 GLU 3 HG2 GLU 3 5.192 -9.721 -4.114
20 HG3 GLU 3 HG3 GLU 3 6.883 -9.416 -3.729
21 H LEU 4 H LEU 4 4.482 -9.228 -1.645
22 HA LEU 4 HA LEU 4 1.877 -10.494 -1.432
23 HB2 LEU 4 HB2 LEU 4 2.629 -7.586 -1.171
24 HB3 LEU 4 HB3 LEU 4 1.069 -8.285 -0.789
25 HG LEU 4 HG LEU 4 3.652 -8.891 0.650
26 HD11 LEU 4 HD11 LEU 4 2.614 -7.681 2.502
27 HD12 LEU 4 HD12 LEU 4 1.240 -7.286 1.469
28 HD13 LEU 4 HD13 LEU 4 2.840 -6.647 1.091
29 HD21 LEU 4 HD21 LEU 4 0.826 -9.781 1.222
30 HD22 LEU 4 HD22 LEU 4 2.235 -10.092 2.235
31 HD23 LEU 4 HD23 LEU 4 2.132 -10.807 0.627
32 H SER 5 H SER 5 0.017 -9.539 -2.576
33 HA SER 5 HA SER 5 0.784 -8.969 -5.353
34 HB2 SER 5 HB2 SER 5 -1.789 -10.106 -4.242
35 HB3 SER 5 HB3 SER 5 -1.430 -9.866 -5.951
36 HG SER 5 HG SER 5 -1.010 -12.038 -4.776
37 H TRP 6 H TRP 6 0.899 -6.790 -5.469
38 HA TRP 6 HA TRP 6 -1.199 -5.102 -4.414
39 HB2 TRP 6 HB2 TRP 6 1.312 -4.598 -6.006
40 HB3 TRP 6 HB3 TRP 6 0.118 -3.328 -5.763
41 HD1 TRP 6 HD1 TRP 6 2.197 -5.739 -3.506
42 HE1 TRP 6 HE1 TRP 6 2.888 -4.419 -1.391
43 HE3 TRP 6 HE3 TRP 6 -0.165 -1.306 -4.511
44 HZ2 TRP 6 HZ2 TRP 6 2.469 -1.843 -0.312
45 HZ3 TRP 6 HZ3 TRP 6 0.037 0.535 -2.888
46 HH2 TRP 6 HH2 TRP 6 1.328 0.266 -0.835
47 H THR 7 H THR 7 -2.884 -4.225 -5.573
48 HA THR 7 HA THR 7 -3.223 -5.249 -8.294
49 HB THR 7 HB THR 7 -5.566 -4.530 -8.101
50 HG1 THR 7 HG1 THR 7 -6.279 -3.379 -6.437
51 HG21 THR 7 HG21 THR 7 -4.964 -6.773 -7.363
52 HG22 THR 7 HG22 THR 7 -6.255 -6.120 -6.355
53 HG23 THR 7 HG23 THR 7 -4.599 -6.162 -5.750
54 H ALA 8 H ALA 8 -4.456 -3.653 -9.787
55 HA ALA 8 HA ALA 8 -2.696 -1.562 -10.403
56 HB1 ALA 8 HB1 ALA 8 -5.538 -1.939 -11.342
57 HB2 ALA 8 HB2 ALA 8 -4.110 -2.678 -12.068
58 HB3 ALA 8 HB3 ALA 8 -4.314 -0.926 -12.107
59 H GLU 9 H GLU 9 -5.722 -1.623 -8.619
60 HA GLU 9 HA GLU 9 -6.162 1.143 -8.431
61 HB2 GLU 9 HB2 GLU 9 -6.820 -0.862 -6.273
62 HB3 GLU 9 HB3 GLU 9 -7.611 0.675 -6.579
63 HG2 GLU 9 HG2 GLU 9 -9.112 -0.878 -7.402
64 HG3 GLU 9 HG3 GLU 9 -8.255 -0.345 -8.849
65 H ALA 10 H ALA 10 -4.525 -1.076 -6.190
66 HA ALA 10 HA ALA 10 -3.821 0.867 -4.283
67 HB1 ALA 10 HB1 ALA 10 -3.869 -1.514 -3.781
68 HB2 ALA 10 HB2 ALA 10 -2.289 -0.824 -3.408
69 HB3 ALA 10 HB3 ALA 10 -2.509 -1.783 -4.872
70 H GLU 11 H GLU 11 -1.985 -0.531 -6.982
71 HA GLU 11 HA GLU 11 0.407 0.852 -6.581
72 HB2 GLU 11 HB2 GLU 11 -0.893 -0.533 -8.855
73 HB3 GLU 11 HB3 GLU 11 0.389 0.600 -9.263
74 HG2 GLU 11 HG2 GLU 11 0.710 -1.617 -7.257
75 HG3 GLU 11 HG3 GLU 11 1.110 -1.778 -8.967
76 H LYS 12 H LYS 12 -2.534 1.803 -8.290
77 HA LYS 12 HA LYS 12 -1.477 4.188 -9.408
78 HB2 LYS 12 HB2 LYS 12 -3.538 2.980 -10.188
79 HB3 LYS 12 HB3 LYS 12 -4.365 3.578 -8.757
80 HG2 LYS 12 HG2 LYS 12 -4.930 4.961 -10.626
81 HG3 LYS 12 HG3 LYS 12 -3.918 5.888 -9.516
82 HD2 LYS 12 HD2 LYS 12 -3.232 6.274 -11.822
83 HD3 LYS 12 HD3 LYS 12 -1.963 5.430 -10.933
84 HE2 LYS 12 HE2 LYS 12 -2.232 4.466 -13.143
85 HE3 LYS 12 HE3 LYS 12 -2.715 3.303 -11.910
86 HZ1 LYS 12 HZ1 LYS 12 -4.282 3.322 -13.733
87 HZ2 LYS 12 HZ2 LYS 12 -4.547 4.986 -13.536
88 HZ3 LYS 12 HZ3 LYS 12 -5.034 3.902 -12.327
89 H MET 13 H MET 13 -3.288 3.471 -6.456
90 HA MET 13 HA MET 13 -3.494 6.162 -5.564
91 HB2 MET 13 HB2 MET 13 -3.657 3.540 -4.065
92 HB3 MET 13 HB3 MET 13 -4.014 5.106 -3.347
93 HG2 MET 13 HG2 MET 13 -5.878 5.434 -4.779
94 HG3 MET 13 HG3 MET 13 -5.444 4.042 -5.767
95 HE1 MET 13 HE1 MET 13 -6.835 5.251 -2.288
96 HE2 MET 13 HE2 MET 13 -5.414 4.316 -1.822
97 HE3 MET 13 HE3 MET 13 -7.029 3.717 -1.438
98 H LEU 14 H LEU 14 -1.059 3.691 -5.297
99 HA LEU 14 HA LEU 14 0.538 5.025 -3.331
100 HB2 LEU 14 HB2 LEU 14 0.669 2.599 -3.728
101 HB3 LEU 14 HB3 LEU 14 1.271 2.893 -5.348
102 HG LEU 14 HG LEU 14 3.291 3.960 -4.357
103 HD11 LEU 14 HD11 LEU 14 2.155 2.926 -1.760
104 HD12 LEU 14 HD12 LEU 14 2.309 4.624 -2.213
105 HD13 LEU 14 HD13 LEU 14 3.754 3.637 -1.985
106 HD21 LEU 14 HD21 LEU 14 2.698 1.133 -3.494
107 HD22 LEU 14 HD22 LEU 14 4.304 1.854 -3.596
108 HD23 LEU 14 HD23 LEU 14 3.339 1.638 -5.057
109 H GLY 15 H GLY 15 -0.025 5.452 -6.657
110 HA2 GLY 15 HA2 GLY 15 2.492 6.543 -7.433
111 HA3 GLY 15 HA3 GLY 15 0.972 6.713 -8.297
112 H LYS 16 H LYS 16 0.014 7.751 -5.481
113 HA LYS 16 HA LYS 16 0.275 10.526 -6.079
114 HB2 LYS 16 HB2 LYS 16 -0.646 9.177 -3.533
115 HB3 LYS 16 HB3 LYS 16 -0.845 10.881 -3.912
116 HG2 LYS 16 HG2 LYS 16 -2.263 10.269 -5.823
117 HG3 LYS 16 HG3 LYS 16 -2.100 8.569 -5.377
118 HD2 LYS 16 HD2 LYS 16 -4.192 9.407 -4.515
119 HD3 LYS 16 HD3 LYS 16 -3.096 9.108 -3.164
120 HE2 LYS 16 HE2 LYS 16 -2.543 11.489 -3.086
121 HE3 LYS 16 HE3 LYS 16 -3.625 11.789 -4.445
122 HZ1 LYS 16 HZ1 LYS 16 -4.825 12.341 -2.528
123 HZ2 LYS 16 HZ2 LYS 16 -4.333 10.950 -1.690
124 HZ3 LYS 16 HZ3 LYS 16 -5.422 10.819 -2.985
125 H VAL 17 H VAL 17 2.190 8.271 -4.403
126 HA VAL 17 HA VAL 17 3.538 10.312 -2.803
127 HB VAL 17 HB VAL 17 3.981 7.320 -2.839
128 HG11 VAL 17 HG11 VAL 17 5.909 8.525 -2.009
129 HG12 VAL 17 HG12 VAL 17 5.093 7.710 -0.675
130 HG13 VAL 17 HG13 VAL 17 4.890 9.447 -0.903
131 HG21 VAL 17 HG21 VAL 17 2.709 7.303 -0.725
132 HG22 VAL 17 HG22 VAL 17 1.727 7.786 -2.107
133 HG23 VAL 17 HG23 VAL 17 2.314 9.004 -0.973
134 HA PRO 18 HA PRO 18 6.653 10.825 -5.995
135 HB2 PRO 18 HB2 PRO 18 8.229 11.725 -3.634
136 HB3 PRO 18 HB3 PRO 18 7.961 12.537 -5.180
137 HG2 PRO 18 HG2 PRO 18 6.704 13.344 -2.971
138 HG3 PRO 18 HG3 PRO 18 5.889 13.350 -4.545
139 HD2 PRO 18 HD2 PRO 18 5.579 11.466 -2.254
140 HD3 PRO 18 HD3 PRO 18 4.366 12.049 -3.413
141 H PHE 19 H PHE 19 8.314 9.651 -6.694
142 HA PHE 19 HA PHE 19 8.453 7.046 -5.817
143 HB2 PHE 19 HB2 PHE 19 9.085 8.103 -8.084
144 HB3 PHE 19 HB3 PHE 19 10.690 8.286 -7.384
145 HD1 PHE 19 HD1 PHE 19 8.062 5.810 -8.139
146 HD2 PHE 19 HD2 PHE 19 12.187 6.495 -7.363
147 HE1 PHE 19 HE1 PHE 19 8.561 3.474 -8.748
148 HE2 PHE 19 HE2 PHE 19 12.694 4.161 -7.964
149 HZ PHE 19 HZ PHE 19 10.882 2.649 -8.658
150 H PHE 20 H PHE 20 10.496 9.728 -4.886
151 HA PHE 20 HA PHE 20 12.727 8.354 -3.925
152 HB2 PHE 20 HB2 PHE 20 11.556 10.872 -2.731
153 HB3 PHE 20 HB3 PHE 20 13.232 10.343 -2.653
154 HD1 PHE 20 HD2 PHE 20 14.500 10.153 -4.879
155 HD2 PHE 20 HD1 PHE 20 10.839 12.268 -4.415
156 HE1 PHE 20 HE2 PHE 20 14.980 11.425 -6.931
157 HE2 PHE 20 HE1 PHE 20 11.309 13.542 -6.470
158 HZ PHE 20 HZ PHE 20 13.383 13.123 -7.728
159 H VAL 21 H VAL 21 9.624 9.038 -2.405
160 HA VAL 21 HA VAL 21 10.494 7.447 -0.078
161 HB VAL 21 HB VAL 21 8.810 8.646 1.255
162 HG11 VAL 21 HG11 VAL 21 11.108 9.463 1.209
163 HG12 VAL 21 HG12 VAL 21 9.967 10.798 1.371
164 HG13 VAL 21 HG13 VAL 21 10.730 10.473 -0.188
165 HG21 VAL 21 HG21 VAL 21 8.421 10.328 -1.223
166 HG22 VAL 21 HG22 VAL 21 7.728 10.656 0.365
167 HG23 VAL 21 HG23 VAL 21 7.241 9.216 -0.530
168 H ARG 22 H ARG 22 8.735 7.267 -2.810
169 HA ARG 22 HA ARG 22 6.272 6.169 -2.026
170 HB2 ARG 22 HB2 ARG 22 6.811 6.964 -4.324
171 HB3 ARG 22 HB3 ARG 22 7.856 5.564 -4.530
172 HG2 ARG 22 HG2 ARG 22 5.869 4.112 -4.159
173 HG3 ARG 22 HG3 ARG 22 4.872 5.569 -4.154
174 HD2 ARG 22 HD2 ARG 22 5.691 6.097 -6.419
175 HD3 ARG 22 HD3 ARG 22 6.603 4.588 -6.417
176 HE ARG 22 HE ARG 22 3.666 4.787 -6.355
177 HH11 ARG 22 HH11 ARG 22 6.601 3.046 -7.128
178 HH12 ARG 22 HH12 ARG 22 5.773 1.722 -7.892
179 HH21 ARG 22 HH21 ARG 22 2.560 3.041 -7.376
180 HH22 ARG 22 HH22 ARG 22 3.477 1.704 -8.004
181 H LYS 23 H LYS 23 9.335 4.628 -2.915
182 HA LYS 23 HA LYS 23 8.535 1.978 -2.452
183 HB2 LYS 23 HB2 LYS 23 10.995 1.525 -2.266
184 HB3 LYS 23 HB3 LYS 23 10.512 2.381 -3.724
185 HG2 LYS 23 HG2 LYS 23 11.173 4.511 -2.543
186 HG3 LYS 23 HG3 LYS 23 11.899 3.490 -1.301
187 HD2 LYS 23 HD2 LYS 23 12.594 3.453 -4.238
188 HD3 LYS 23 HD3 LYS 23 13.546 4.223 -2.967
189 HE2 LYS 23 HE2 LYS 23 13.964 2.093 -1.926
190 HE3 LYS 23 HE3 LYS 23 12.878 1.287 -3.058
191 HZ1 LYS 23 HZ1 LYS 23 15.389 2.683 -3.819
192 HZ2 LYS 23 HZ2 LYS 23 14.368 1.800 -4.852
193 HZ3 LYS 23 HZ3 LYS 23 15.226 1.002 -3.629
194 H LYS 24 H LYS 24 9.736 4.470 -0.328
195 HA LYS 24 HA LYS 24 10.173 2.893 1.964
196 HB2 LYS 24 HB2 LYS 24 10.954 5.240 1.708
197 HB3 LYS 24 HB3 LYS 24 9.286 5.785 1.812
198 HG2 LYS 24 HG2 LYS 24 9.164 4.793 4.085
199 HG3 LYS 24 HG3 LYS 24 10.886 4.428 3.966
200 HD2 LYS 24 HD2 LYS 24 11.258 6.882 3.530
201 HD3 LYS 24 HD3 LYS 24 9.566 7.133 3.963
202 HE2 LYS 24 HE2 LYS 24 10.971 7.545 5.886
203 HE3 LYS 24 HE3 LYS 24 10.003 6.094 6.154
204 HZ1 LYS 24 HZ1 LYS 24 12.360 5.860 6.820
205 HZ2 LYS 24 HZ2 LYS 24 12.816 6.072 5.200
206 HZ3 LYS 24 HZ3 LYS 24 11.884 4.728 5.650
207 H VAL 25 H VAL 25 7.385 4.835 0.936
208 HA VAL 25 HA VAL 25 5.673 4.079 3.031
209 HB VAL 25 HB VAL 25 4.950 4.987 0.237
210 HG11 VAL 25 HG11 VAL 25 3.048 3.906 1.267
211 HG12 VAL 25 HG12 VAL 25 2.793 5.652 1.262
212 HG13 VAL 25 HG13 VAL 25 3.280 4.835 2.747
213 HG21 VAL 25 HG21 VAL 25 4.693 7.192 1.250
214 HG22 VAL 25 HG22 VAL 25 6.338 6.590 1.456
215 HG23 VAL 25 HG23 VAL 25 5.206 6.543 2.807
216 H ARG 26 H ARG 26 6.135 2.724 -0.225
217 HA ARG 26 HA ARG 26 4.026 0.896 -0.189
218 HB2 ARG 26 HB2 ARG 26 5.441 1.413 -2.193
219 HB3 ARG 26 HB3 ARG 26 6.706 0.404 -1.493
220 HG2 ARG 26 HG2 ARG 26 4.602 -1.274 -1.338
221 HG3 ARG 26 HG3 ARG 26 4.173 -0.356 -2.778
222 HD2 ARG 26 HD2 ARG 26 5.817 -1.278 -4.006
223 HD3 ARG 26 HD3 ARG 26 6.962 -1.276 -2.659
224 HE ARG 26 HE ARG 26 5.681 -3.233 -1.788
225 HH11 ARG 26 HH11 ARG 26 5.620 -2.485 -5.229
226 HH12 ARG 26 HH12 ARG 26 5.271 -4.125 -5.698
227 HH21 ARG 26 HH21 ARG 26 5.170 -5.340 -2.390
228 HH22 ARG 26 HH22 ARG 26 5.000 -5.760 -4.074
229 H LYS 27 H LYS 27 7.379 0.479 0.901
230 HA LYS 27 HA LYS 27 7.125 -2.236 1.599
231 HB2 LYS 27 HB2 LYS 27 9.267 -0.896 1.310
232 HB3 LYS 27 HB3 LYS 27 8.982 -0.264 2.926
233 HG2 LYS 27 HG2 LYS 27 9.252 -2.384 3.916
234 HG3 LYS 27 HG3 LYS 27 9.150 -3.204 2.357
235 HD2 LYS 27 HD2 LYS 27 11.255 -2.018 1.692
236 HD3 LYS 27 HD3 LYS 27 11.377 -1.435 3.354
237 HE2 LYS 27 HE2 LYS 27 11.552 -3.669 4.194
238 HE3 LYS 27 HE3 LYS 27 11.199 -4.347 2.605
239 HZ1 LYS 27 HZ1 LYS 27 13.276 -3.349 1.795
240 HZ2 LYS 27 HZ2 LYS 27 13.539 -4.472 3.037
241 HZ3 LYS 27 HZ3 LYS 27 13.623 -2.810 3.366
242 H ASN 28 H ASN 28 6.352 0.723 3.305
243 HA ASN 28 HA ASN 28 5.844 -0.487 5.823
244 HB2 ASN 28 HB2 ASN 28 5.096 2.130 4.574
245 HB3 ASN 28 HB3 ASN 28 4.287 1.621 6.054
246 HD21 ASN 28 HD21 ASN 28 7.264 2.684 4.633
247 HD22 ASN 28 HD22 ASN 28 8.111 2.949 6.125
248 H THR 29 H THR 29 3.817 0.178 2.985
249 HA THR 29 HA THR 29 1.421 -0.823 4.131
250 HB THR 29 HB THR 29 1.262 -1.287 1.388
251 HG1 THR 29 HG1 THR 29 3.129 -0.184 0.954
252 HG21 THR 29 HG21 THR 29 0.468 1.153 2.974
253 HG22 THR 29 HG22 THR 29 -0.491 -0.315 2.775
254 HG23 THR 29 HG23 THR 29 -0.153 0.713 1.383
255 H ASP 30 H ASP 30 3.994 -2.336 2.191
256 HA ASP 30 HA ASP 30 2.878 -4.873 1.890
257 HB2 ASP 30 HB2 ASP 30 5.761 -4.051 2.308
258 HB3 ASP 30 HB3 ASP 30 5.290 -5.715 1.996
259 H ASN 31 H ASN 31 4.709 -3.498 4.586
260 HA ASN 31 HA ASN 31 4.507 -5.797 6.244
261 HB2 ASN 31 HB2 ASN 31 5.254 -2.937 6.701
262 HB3 ASN 31 HB3 ASN 31 4.948 -3.978 8.086
263 HD21 ASN 31 HD21 ASN 31 7.024 -3.375 5.350
264 HD22 ASN 31 HD22 ASN 31 8.311 -4.413 5.862
265 H TYR 32 H TYR 32 2.428 -3.029 5.677
266 HA TYR 32 HA TYR 32 0.784 -3.398 7.974
267 HB2 TYR 32 HB2 TYR 32 0.817 -1.257 6.790
268 HB3 TYR 32 HB3 TYR 32 0.177 -2.028 5.341
269 HD1 TYR 32 HD1 TYR 32 -0.651 -1.339 8.906
270 HD2 TYR 32 HD2 TYR 32 -2.130 -2.132 4.996
271 HE1 TYR 32 HE1 TYR 32 -2.935 -0.871 9.680
272 HE2 TYR 32 HE2 TYR 32 -4.420 -1.661 5.759
273 HH TYR 32 HH TYR 32 -5.681 -1.677 7.917
274 H ALA 33 H ALA 33 0.617 -4.479 4.630
275 HA ALA 33 HA ALA 33 -1.859 -5.777 4.751
276 HB1 ALA 33 HB1 ALA 33 -1.128 -6.986 2.773
277 HB2 ALA 33 HB2 ALA 33 0.539 -6.495 3.072
278 HB3 ALA 33 HB3 ALA 33 -0.677 -5.285 2.664
279 H ARG 34 H ARG 34 1.421 -6.987 5.352
280 HA ARG 34 HA ARG 34 0.718 -9.631 6.020
281 HB2 ARG 34 HB2 ARG 34 3.014 -7.996 7.125
282 HB3 ARG 34 HB3 ARG 34 2.900 -9.752 7.111
283 HG2 ARG 34 HG2 ARG 34 3.036 -9.796 4.726
284 HG3 ARG 34 HG3 ARG 34 2.957 -8.036 4.651
285 HD2 ARG 34 HD2 ARG 34 5.235 -8.663 4.355
286 HD3 ARG 34 HD3 ARG 34 5.081 -7.969 5.968
287 HE ARG 34 HE ARG 34 4.761 -10.704 6.270
288 HH11 ARG 34 HH11 ARG 34 7.242 -8.488 5.180
289 HH12 ARG 34 HH12 ARG 34 8.560 -9.542 5.584
290 HH21 ARG 34 HH21 ARG 34 6.489 -12.125 6.779
291 HH22 ARG 34 HH22 ARG 34 8.131 -11.620 6.482
292 H GLU 35 H GLU 35 0.913 -6.676 7.883
293 HA GLU 35 HA GLU 35 0.670 -7.721 10.446
294 HB2 GLU 35 HB2 GLU 35 1.252 -5.354 9.803
295 HB3 GLU 35 HB3 GLU 35 -0.452 -5.089 9.469
296 HG2 GLU 35 HG2 GLU 35 -0.032 -4.207 11.611
297 HG3 GLU 35 HG3 GLU 35 -0.913 -5.714 11.856
298 H ILE 36 H ILE 36 -1.837 -6.628 8.174
299 HA ILE 36 HA ILE 36 -3.952 -7.414 9.996
300 HB ILE 36 HB ILE 36 -5.488 -6.627 8.213
301 HG12 ILE 36 HG12 ILE 36 -2.914 -5.944 6.775
302 HG13 ILE 36 HG13 ILE 36 -4.104 -7.135 6.261
303 HG21 ILE 36 HG21 ILE 36 -4.713 -5.119 9.959
304 HG22 ILE 36 HG22 ILE 36 -4.927 -4.258 8.436
305 HG23 ILE 36 HG23 ILE 36 -3.307 -4.692 8.984
306 HD11 ILE 36 HD11 ILE 36 -4.516 -4.157 6.435
307 HD12 ILE 36 HD12 ILE 36 -5.749 -5.333 5.974
308 HD13 ILE 36 HD13 ILE 36 -4.320 -5.112 4.965
309 H GLY 37 H GLY 37 -2.109 -8.952 7.625
310 HA2 GLY 37 HA2 GLY 37 -2.184 -11.254 7.208
311 HA3 GLY 37 HA3 GLY 37 -3.817 -11.299 7.851
312 H GLU 38 H GLU 38 -2.837 -9.009 5.395
313 HA GLU 38 HA GLU 38 -4.599 -10.407 3.489
314 HB2 GLU 38 HB2 GLU 38 -3.909 -7.474 3.726
315 HB3 GLU 38 HB3 GLU 38 -4.836 -8.162 2.400
316 HG2 GLU 38 HG2 GLU 38 -5.627 -8.207 5.304
317 HG3 GLU 38 HG3 GLU 38 -6.263 -7.109 4.080
318 HA PRO 39 HA PRO 39 -0.644 -10.964 1.338
319 HB2 PRO 39 HB2 PRO 39 -2.237 -12.699 -0.408
320 HB3 PRO 39 HB3 PRO 39 -0.839 -13.100 0.592
321 HG2 PRO 39 HG2 PRO 39 -3.326 -13.957 1.191
322 HG3 PRO 39 HG3 PRO 39 -2.126 -13.574 2.440
323 HD2 PRO 39 HD2 PRO 39 -4.435 -11.932 1.461
324 HD3 PRO 39 HD3 PRO 39 -3.855 -12.180 3.122
325 H VAL 40 H VAL 40 -3.740 -9.939 0.180
326 HA VAL 40 HA VAL 40 -2.491 -8.896 -2.277
327 HB VAL 40 HB VAL 40 -5.422 -9.430 -1.749
328 HG11 VAL 40 HG11 VAL 40 -5.732 -8.952 -4.133
329 HG12 VAL 40 HG12 VAL 40 -4.028 -8.521 -4.264
330 HG13 VAL 40 HG13 VAL 40 -5.105 -7.552 -3.260
331 HG21 VAL 40 HG21 VAL 40 -4.201 -11.503 -1.976
332 HG22 VAL 40 HG22 VAL 40 -3.434 -10.923 -3.453
333 HG23 VAL 40 HG23 VAL 40 -5.171 -11.224 -3.423
334 H VAL 41 H VAL 41 -2.180 -6.770 -2.339
335 HA VAL 41 HA VAL 41 -3.567 -5.078 -0.399
336 HB VAL 41 HB VAL 41 -1.285 -4.369 -2.256
337 HG11 VAL 41 HG11 VAL 41 -2.569 -2.843 0.006
338 HG12 VAL 41 HG12 VAL 41 -2.580 -2.413 -1.706
339 HG13 VAL 41 HG13 VAL 41 -1.069 -2.376 -0.795
340 HG21 VAL 41 HG21 VAL 41 0.094 -4.388 -0.206
341 HG22 VAL 41 HG22 VAL 41 -0.556 -5.982 -0.600
342 HG23 VAL 41 HG23 VAL 41 -1.285 -5.023 0.689
343 H THR 42 H THR 42 -5.503 -4.517 -1.105
344 HA THR 42 HA THR 42 -5.913 -3.735 -3.892
345 HB THR 42 HB THR 42 -8.321 -3.676 -3.238
346 HG1 THR 42 HG1 THR 42 -8.532 -4.885 -1.032
347 HG21 THR 42 HG21 THR 42 -8.606 -6.089 -2.990
348 HG22 THR 42 HG22 THR 42 -6.916 -6.254 -2.512
349 HG23 THR 42 HG23 THR 42 -7.323 -5.741 -4.150
350 H ALA 43 H ALA 43 -7.645 -1.814 -3.993
351 HA ALA 43 HA ALA 43 -6.516 0.554 -3.000
352 HB1 ALA 43 HB1 ALA 43 -9.378 0.049 -3.824
353 HB2 ALA 43 HB2 ALA 43 -8.062 0.489 -4.910
354 HB3 ALA 43 HB3 ALA 43 -8.601 1.628 -3.677
355 H ASP 44 H ASP 44 -9.013 -1.584 -1.798
356 HA ASP 44 HA ASP 44 -9.884 -0.134 0.426
357 HB2 ASP 44 HB2 ASP 44 -11.201 -1.984 -0.076
358 HB3 ASP 44 HB3 ASP 44 -9.811 -3.040 -0.298
359 H VAL 45 H VAL 45 -7.354 -2.636 0.220
360 HA VAL 45 HA VAL 45 -6.564 -2.507 2.907
361 HB VAL 45 HB VAL 45 -4.904 -3.280 0.498
362 HG11 VAL 45 HG11 VAL 45 -3.491 -2.769 2.427
363 HG12 VAL 45 HG12 VAL 45 -3.492 -4.497 2.077
364 HG13 VAL 45 HG13 VAL 45 -4.444 -3.868 3.423
365 HG21 VAL 45 HG21 VAL 45 -6.917 -4.626 0.723
366 HG22 VAL 45 HG22 VAL 45 -6.532 -4.952 2.412
367 HG23 VAL 45 HG23 VAL 45 -5.491 -5.580 1.136
368 H PHE 46 H PHE 46 -5.406 -0.737 0.066
369 HA PHE 46 HA PHE 46 -3.325 0.629 1.427
370 HB2 PHE 46 HB2 PHE 46 -3.523 0.295 -1.073
371 HB3 PHE 46 HB3 PHE 46 -4.755 1.552 -1.069
372 HD1 PHE 46 HD1 PHE 46 -1.199 0.856 -0.369
373 HD2 PHE 46 HD2 PHE 46 -4.165 3.836 -1.024
374 HE1 PHE 46 HE1 PHE 46 0.565 2.558 -0.576
375 HE2 PHE 46 HE2 PHE 46 -2.408 5.546 -1.224
376 HZ PHE 46 HZ PHE 46 -0.041 4.909 -1.005
377 H ARG 47 H ARG 47 -6.712 1.338 0.792
378 HA ARG 47 HA ARG 47 -6.745 4.023 1.617
379 HB2 ARG 47 HB2 ARG 47 -8.570 2.957 0.364
380 HB3 ARG 47 HB3 ARG 47 -8.945 1.955 1.756
381 HG2 ARG 47 HG2 ARG 47 -9.619 3.881 3.026
382 HG3 ARG 47 HG3 ARG 47 -9.109 4.959 1.723
383 HD2 ARG 47 HD2 ARG 47 -10.786 3.941 0.244
384 HD3 ARG 47 HD3 ARG 47 -11.304 2.893 1.564
385 HE ARG 47 HE ARG 47 -11.694 5.214 2.714
386 HH11 ARG 47 HH11 ARG 47 -12.388 4.333 -0.622
387 HH12 ARG 47 HH12 ARG 47 -13.699 5.470 -0.762
388 HH21 ARG 47 HH21 ARG 47 -13.421 6.682 2.501
389 HH22 ARG 47 HH22 ARG 47 -14.285 6.786 0.996
390 H LYS 48 H LYS 48 -7.348 1.031 3.430
391 HA LYS 48 HA LYS 48 -7.847 2.259 5.922
392 HB2 LYS 48 HB2 LYS 48 -6.895 -0.495 5.159
393 HB3 LYS 48 HB3 LYS 48 -7.143 -0.026 6.837
394 HG2 LYS 48 HG2 LYS 48 -9.463 0.355 6.466
395 HG3 LYS 48 HG3 LYS 48 -9.274 0.163 4.723
396 HD2 LYS 48 HD2 LYS 48 -8.736 -2.012 6.742
397 HD3 LYS 48 HD3 LYS 48 -10.261 -1.819 5.873
398 HE2 LYS 48 HE2 LYS 48 -8.907 -1.936 3.743
399 HE3 LYS 48 HE3 LYS 48 -7.544 -2.439 4.741
400 HZ1 LYS 48 HZ1 LYS 48 -10.112 -3.877 4.898
401 HZ2 LYS 48 HZ2 LYS 48 -8.550 -4.438 5.255
402 HZ3 LYS 48 HZ3 LYS 48 -9.029 -4.206 3.643
403 H ALA 49 H ALA 49 -4.907 1.318 4.280
404 HA ALA 49 HA ALA 49 -3.133 1.598 6.461
405 HB1 ALA 49 HB1 ALA 49 -2.540 0.392 4.415
406 HB2 ALA 49 HB2 ALA 49 -1.364 1.652 4.793
407 HB3 ALA 49 HB3 ALA 49 -2.556 1.910 3.518
408 H LYS 50 H LYS 50 -4.382 3.873 4.077
409 HA LYS 50 HA LYS 50 -2.698 6.040 4.479
410 HB2 LYS 50 HB2 LYS 50 -5.691 6.149 4.046
411 HB3 LYS 50 HB3 LYS 50 -4.555 7.452 3.737
412 HG2 LYS 50 HG2 LYS 50 -4.538 4.801 2.315
413 HG3 LYS 50 HG3 LYS 50 -5.300 6.270 1.703
414 HD2 LYS 50 HD2 LYS 50 -2.374 6.022 2.392
415 HD3 LYS 50 HD3 LYS 50 -3.036 5.828 0.767
416 HE2 LYS 50 HE2 LYS 50 -3.979 8.124 0.953
417 HE3 LYS 50 HE3 LYS 50 -3.132 8.300 2.490
418 HZ1 LYS 50 HZ1 LYS 50 -1.840 7.766 -0.128
419 HZ2 LYS 50 HZ2 LYS 50 -1.038 7.987 1.345
420 HZ3 LYS 50 HZ3 LYS 50 -1.896 9.276 0.641
421 H GLU 51 H GLU 51 -5.675 5.214 6.178
422 HA GLU 51 HA GLU 51 -5.596 7.347 8.033
423 HB2 GLU 51 HB2 GLU 51 -7.645 6.112 7.484
424 HB3 GLU 51 HB3 GLU 51 -6.968 4.653 8.190
425 HG2 GLU 51 HG2 GLU 51 -6.854 5.876 10.372
426 HG3 GLU 51 HG3 GLU 51 -7.768 7.178 9.609
427 H HIS 52 H HIS 52 -4.361 4.057 8.071
428 HA HIS 52 HA HIS 52 -3.838 3.946 10.855
429 HB2 HIS 52 HB2 HIS 52 -4.141 1.974 9.334
430 HB3 HIS 52 HB3 HIS 52 -2.543 2.308 8.676
431 HD1 HIS 52 HD1 HIS 52 -4.276 0.652 11.452
432 HD2 HIS 52 HD2 HIS 52 -0.398 1.885 10.567
433 HE1 HIS 52 HE1 HIS 52 -2.788 -0.552 13.088
434 HE2 HIS 52 HE2 HIS 52 -0.438 0.113 12.459
435 H LEU 53 H LEU 53 -1.893 4.857 8.062
436 HA LEU 53 HA LEU 53 0.599 4.870 9.412
437 HB2 LEU 53 HB2 LEU 53 -0.284 6.307 6.915
438 HB3 LEU 53 HB3 LEU 53 1.374 6.235 7.478
439 HG LEU 53 HG LEU 53 -0.287 3.843 6.674
440 HD11 LEU 53 HD11 LEU 53 0.235 5.225 4.752
441 HD12 LEU 53 HD12 LEU 53 1.201 3.748 4.724
442 HD13 LEU 53 HD13 LEU 53 1.934 5.272 5.222
443 HD21 LEU 53 HD21 LEU 53 1.360 3.266 8.355
444 HD22 LEU 53 HD22 LEU 53 2.622 4.087 7.437
445 HD23 LEU 53 HD23 LEU 53 1.860 2.638 6.784
446 H GLY 54 H GLY 54 -1.985 7.176 9.199
447 HA2 GLY 54 HA2 GLY 54 -1.633 8.666 11.318
448 HA3 GLY 54 HA3 GLY 54 -0.293 9.269 10.351
449 H GLY 55 H GLY 55 -1.018 11.322 10.023
450 HA2 GLY 55 HA2 GLY 55 -3.488 11.551 8.423
451 HA3 GLY 55 HA3 GLY 55 -3.192 12.629 9.777
452 H LEU 56 H LEU 56 -0.640 11.548 7.664
453 HA LEU 56 HA LEU 56 0.238 14.150 7.066
454 HB2 LEU 56 HB2 LEU 56 1.673 12.153 6.963
455 HB3 LEU 56 HB3 LEU 56 0.780 11.588 5.565
456 HG LEU 56 HG LEU 56 1.550 13.552 4.286
457 HD11 LEU 56 HD11 LEU 56 3.324 14.966 5.191
458 HD12 LEU 56 HD12 LEU 56 3.177 14.154 6.749
459 HD13 LEU 56 HD13 LEU 56 1.836 15.115 6.127
460 HD21 LEU 56 HD21 LEU 56 3.774 11.972 5.572
461 HD22 LEU 56 HD22 LEU 56 3.874 12.852 4.047
462 HD23 LEU 56 HD23 LEU 56 2.805 11.457 4.193
463 H GLU 57 H GLU 57 -1.727 11.864 5.227
464 HA GLU 57 HA GLU 57 -2.361 13.983 3.300
465 HB2 GLU 57 HB2 GLU 57 -1.576 11.706 2.500
466 HB3 GLU 57 HB3 GLU 57 -3.076 11.051 3.136
467 HG2 GLU 57 HG2 GLU 57 -4.356 12.429 1.607
468 HG3 GLU 57 HG3 GLU 57 -2.872 13.162 1.000
469 H HIS 58 H HIS 58 -3.889 15.197 4.330
470 HA HIS 58 HA HIS 58 -6.159 13.742 5.529
471 HB2 HIS 58 HB2 HIS 58 -4.698 14.931 7.165
472 HB3 HIS 58 HB3 HIS 58 -5.088 16.446 6.360
473 HD1 HIS 58 HD1 HIS 58 -6.637 17.698 7.829
474 HD2 HIS 58 HD2 HIS 58 -7.518 13.631 7.747
475 HE1 HIS 58 HE1 HIS 58 -8.700 17.418 9.246
476 HE2 HIS 58 HE2 HIS 58 -9.271 14.965 9.110
477 H HIS 59 H HIS 59 -5.179 16.071 3.227
478 HA HIS 59 HA HIS 59 -7.904 17.091 2.913
479 HB2 HIS 59 HB2 HIS 59 -5.247 17.879 1.748
480 HB3 HIS 59 HB3 HIS 59 -6.747 18.419 1.006
481 HD1 HIS 59 HD1 HIS 59 -5.297 20.723 1.838
482 HD2 HIS 59 HD2 HIS 59 -7.471 18.534 4.633
483 HE1 HIS 59 HE1 HIS 59 -5.698 22.288 3.767
484 HE2 HIS 59 HE2 HIS 59 -7.185 21.005 5.352
485 H HIS 60 H HIS 60 -9.267 15.983 1.683
486 HA HIS 60 HA HIS 60 -8.208 14.811 -0.799
487 HB2 HIS 60 HB2 HIS 60 -8.629 13.061 0.986
488 HB3 HIS 60 HB3 HIS 60 -10.338 13.470 0.873
489 HD1 HIS 60 HD1 HIS 60 -7.539 12.282 -1.406
490 HD2 HIS 60 HD2 HIS 60 -11.674 12.024 -1.019
491 HE1 HIS 60 HE1 HIS 60 -8.293 10.689 -3.204
492 HE2 HIS 60 HE2 HIS 60 -10.778 10.446 -2.873
493 H HIS 61 H HIS 61 -9.026 17.044 -1.352
494 HA HIS 61 HA HIS 61 -11.913 17.161 -1.768
495 HB2 HIS 61 HB2 HIS 61 -10.457 19.168 -1.083
496 HB3 HIS 61 HB3 HIS 61 -9.852 19.151 -2.734
497 HD1 HIS 61 HD1 HIS 61 -12.499 20.490 -0.656
498 HD2 HIS 61 HD2 HIS 61 -12.016 19.618 -4.700
499 HE1 HIS 61 HE1 HIS 61 -14.296 21.776 -1.852
500 HE2 HIS 61 HE2 HIS 61 -13.892 21.359 -4.300
501 H HIS 62 H HIS 62 -8.913 16.660 -3.437
502 HA HIS 62 HA HIS 62 -10.131 15.232 -5.555
503 HB2 HIS 62 HB2 HIS 62 -10.241 17.941 -5.993
504 HB3 HIS 62 HB3 HIS 62 -8.735 17.503 -6.792
505 HD1 HIS 62 HD1 HIS 62 -8.903 16.197 -8.991
506 HD2 HIS 62 HD2 HIS 62 -12.565 16.743 -7.083
507 HE1 HIS 62 HE1 HIS 62 -10.657 15.506 -10.663
508 HE2 HIS 62 HE2 HIS 62 -12.866 15.911 -9.512
509 H HIS 63 H HIS 63 -7.375 16.917 -4.220
510 HA HIS 63 HA HIS 63 -5.635 14.848 -5.375
511 HB2 HIS 63 HB2 HIS 63 -3.765 16.550 -5.221
512 HB3 HIS 63 HB3 HIS 63 -4.976 16.866 -6.455
513 HD1 HIS 63 HD1 HIS 63 -6.277 19.035 -6.300
514 HD2 HIS 63 HD2 HIS 63 -3.818 18.360 -3.008
515 HE1 HIS 63 HE1 HIS 63 -6.270 21.191 -5.004
516 HE2 HIS 63 HE2 HIS 63 -4.638 20.819 -3.118
Start of MODEL 12
1 H1 MET 1 H1 MET 1 12.402 -11.472 -0.468
2 H2 MET 1 H2 MET 1 13.367 -11.197 -1.839
3 H3 MET 1 H3 MET 1 11.745 -11.651 -2.022
4 HA MET 1 HA MET 1 12.724 -9.123 -0.830
5 HB2 MET 1 HB2 MET 1 12.990 -9.279 -3.299
6 HB3 MET 1 HB3 MET 1 11.274 -9.627 -3.442
7 HG2 MET 1 HG2 MET 1 10.758 -7.430 -2.485
8 HG3 MET 1 HG3 MET 1 12.483 -7.082 -2.387
9 HE1 MET 1 HE1 MET 1 10.182 -7.663 -6.345
10 HE2 MET 1 HE2 MET 1 9.408 -7.647 -4.761
11 HE3 MET 1 HE3 MET 1 10.488 -8.969 -5.202
12 H GLY 2 H GLY 2 11.134 -7.750 -0.020
13 HA2 GLY 2 HA2 GLY 2 8.771 -9.021 0.979
14 HA3 GLY 2 HA3 GLY 2 9.209 -7.326 1.175
15 H GLU 3 H GLU 3 7.846 -9.664 -1.075
16 HA GLU 3 HA GLU 3 6.518 -7.441 -2.474
17 HB2 GLU 3 HB2 GLU 3 8.157 -8.765 -3.821
18 HB3 GLU 3 HB3 GLU 3 7.149 -10.185 -3.571
19 HG2 GLU 3 HG2 GLU 3 6.672 -9.287 -5.725
20 HG3 GLU 3 HG3 GLU 3 5.284 -8.989 -4.679
21 H LEU 4 H LEU 4 4.368 -7.482 -2.709
22 HA LEU 4 HA LEU 4 2.901 -9.872 -1.831
23 HB2 LEU 4 HB2 LEU 4 2.249 -6.986 -1.207
24 HB3 LEU 4 HB3 LEU 4 1.172 -8.333 -0.893
25 HG LEU 4 HG LEU 4 3.904 -8.014 0.358
26 HD11 LEU 4 HD11 LEU 4 2.389 -6.257 1.101
27 HD12 LEU 4 HD12 LEU 4 2.697 -7.418 2.393
28 HD13 LEU 4 HD13 LEU 4 1.173 -7.467 1.507
29 HD21 LEU 4 HD21 LEU 4 3.120 -9.784 1.865
30 HD22 LEU 4 HD22 LEU 4 3.179 -10.329 0.188
31 HD23 LEU 4 HD23 LEU 4 1.631 -9.916 0.928
32 H SER 5 H SER 5 0.466 -9.534 -2.593
33 HA SER 5 HA SER 5 0.667 -9.090 -5.445
34 HB2 SER 5 HB2 SER 5 -1.634 -10.058 -3.735
35 HB3 SER 5 HB3 SER 5 -1.659 -9.970 -5.497
36 HG SER 5 HG SER 5 0.064 -11.452 -5.544
37 H TRP 6 H TRP 6 0.730 -7.000 -5.945
38 HA TRP 6 HA TRP 6 -1.076 -5.119 -4.635
39 HB2 TRP 6 HB2 TRP 6 1.330 -4.843 -6.407
40 HB3 TRP 6 HB3 TRP 6 0.229 -3.486 -6.192
41 HD1 TRP 6 HD1 TRP 6 2.420 -5.829 -3.999
42 HE1 TRP 6 HE1 TRP 6 3.192 -4.480 -1.946
43 HE3 TRP 6 HE3 TRP 6 -0.111 -1.483 -4.897
44 HZ2 TRP 6 HZ2 TRP 6 2.772 -1.903 -0.853
45 HZ3 TRP 6 HZ3 TRP 6 0.132 0.376 -3.306
46 HH2 TRP 6 HH2 TRP 6 1.547 0.169 -1.326
47 H THR 7 H THR 7 -2.748 -4.136 -5.596
48 HA THR 7 HA THR 7 -3.514 -5.060 -8.262
49 HB THR 7 HB THR 7 -5.717 -4.011 -7.711
50 HG1 THR 7 HG1 THR 7 -4.624 -3.742 -5.088
51 HG21 THR 7 HG21 THR 7 -4.699 -6.021 -5.704
52 HG22 THR 7 HG22 THR 7 -5.329 -6.390 -7.310
53 HG23 THR 7 HG23 THR 7 -6.393 -5.707 -6.078
54 H ALA 8 H ALA 8 -4.378 -3.489 -9.806
55 HA ALA 8 HA ALA 8 -2.633 -1.286 -10.153
56 HB1 ALA 8 HB1 ALA 8 -4.034 -0.717 -12.075
57 HB2 ALA 8 HB2 ALA 8 -5.257 -1.865 -11.528
58 HB3 ALA 8 HB3 ALA 8 -3.671 -2.443 -12.037
59 H GLU 9 H GLU 9 -5.743 -1.659 -8.656
60 HA GLU 9 HA GLU 9 -6.561 1.028 -8.588
61 HB2 GLU 9 HB2 GLU 9 -7.135 -1.207 -6.640
62 HB3 GLU 9 HB3 GLU 9 -7.994 0.327 -6.696
63 HG2 GLU 9 HG2 GLU 9 -7.965 -1.844 -8.775
64 HG3 GLU 9 HG3 GLU 9 -9.330 -1.286 -7.807
65 H ALA 10 H ALA 10 -4.579 -0.892 -6.379
66 HA ALA 10 HA ALA 10 -4.245 1.209 -4.471
67 HB1 ALA 10 HB1 ALA 10 -2.542 -0.240 -3.476
68 HB2 ALA 10 HB2 ALA 10 -2.616 -1.300 -4.884
69 HB3 ALA 10 HB3 ALA 10 -4.019 -1.137 -3.829
70 H GLU 11 H GLU 11 -2.418 0.025 -7.240
71 HA GLU 11 HA GLU 11 -0.061 1.496 -6.801
72 HB2 GLU 11 HB2 GLU 11 -1.240 0.496 -9.398
73 HB3 GLU 11 HB3 GLU 11 0.407 1.079 -9.194
74 HG2 GLU 11 HG2 GLU 11 0.856 -0.729 -7.613
75 HG3 GLU 11 HG3 GLU 11 -0.796 -1.311 -7.817
76 H LYS 12 H LYS 12 -3.099 2.373 -8.322
77 HA LYS 12 HA LYS 12 -2.221 4.744 -9.574
78 HB2 LYS 12 HB2 LYS 12 -4.936 3.943 -8.526
79 HB3 LYS 12 HB3 LYS 12 -4.647 5.430 -9.420
80 HG2 LYS 12 HG2 LYS 12 -3.874 4.122 -11.337
81 HG3 LYS 12 HG3 LYS 12 -4.176 2.634 -10.439
82 HD2 LYS 12 HD2 LYS 12 -6.259 4.691 -11.176
83 HD3 LYS 12 HD3 LYS 12 -5.996 3.155 -12.005
84 HE2 LYS 12 HE2 LYS 12 -6.486 1.978 -9.885
85 HE3 LYS 12 HE3 LYS 12 -6.850 3.530 -9.134
86 HZ1 LYS 12 HZ1 LYS 12 -8.273 2.396 -11.483
87 HZ2 LYS 12 HZ2 LYS 12 -8.660 3.842 -10.684
88 HZ3 LYS 12 HZ3 LYS 12 -8.847 2.351 -9.888
89 H MET 13 H MET 13 -3.429 4.106 -6.308
90 HA MET 13 HA MET 13 -3.304 6.887 -5.563
91 HB2 MET 13 HB2 MET 13 -3.758 4.381 -3.939
92 HB3 MET 13 HB3 MET 13 -3.751 5.999 -3.248
93 HG2 MET 13 HG2 MET 13 -5.600 6.617 -4.752
94 HG3 MET 13 HG3 MET 13 -5.641 4.957 -5.341
95 HE1 MET 13 HE1 MET 13 -6.696 2.981 -2.129
96 HE2 MET 13 HE2 MET 13 -5.040 3.328 -2.625
97 HE3 MET 13 HE3 MET 13 -6.246 2.869 -3.830
98 H LEU 14 H LEU 14 -1.213 4.111 -5.424
99 HA LEU 14 HA LEU 14 0.693 5.186 -3.607
100 HB2 LEU 14 HB2 LEU 14 0.543 2.787 -4.156
101 HB3 LEU 14 HB3 LEU 14 1.059 3.131 -5.796
102 HG LEU 14 HG LEU 14 3.231 3.952 -4.903
103 HD11 LEU 14 HD11 LEU 14 3.839 3.457 -2.600
104 HD12 LEU 14 HD12 LEU 14 2.206 2.874 -2.281
105 HD13 LEU 14 HD13 LEU 14 2.474 4.574 -2.664
106 HD21 LEU 14 HD21 LEU 14 2.467 1.136 -4.151
107 HD22 LEU 14 HD22 LEU 14 4.115 1.736 -4.337
108 HD23 LEU 14 HD23 LEU 14 3.031 1.684 -5.729
109 H GLY 15 H GLY 15 0.021 5.649 -6.959
110 HA2 GLY 15 HA2 GLY 15 2.529 6.711 -7.758
111 HA3 GLY 15 HA3 GLY 15 0.998 6.933 -8.591
112 H LYS 16 H LYS 16 0.091 7.984 -5.765
113 HA LYS 16 HA LYS 16 0.575 10.759 -6.339
114 HB2 LYS 16 HB2 LYS 16 -0.626 9.530 -3.852
115 HB3 LYS 16 HB3 LYS 16 -0.737 11.214 -4.343
116 HG2 LYS 16 HG2 LYS 16 -1.948 10.394 -6.408
117 HG3 LYS 16 HG3 LYS 16 -2.047 8.826 -5.604
118 HD2 LYS 16 HD2 LYS 16 -3.161 11.444 -4.607
119 HD3 LYS 16 HD3 LYS 16 -4.083 10.070 -5.215
120 HE2 LYS 16 HE2 LYS 16 -3.368 8.717 -3.346
121 HE3 LYS 16 HE3 LYS 16 -2.320 10.011 -2.765
122 HZ1 LYS 16 HZ1 LYS 16 -4.407 11.383 -2.598
123 HZ2 LYS 16 HZ2 LYS 16 -4.259 10.123 -1.478
124 HZ3 LYS 16 HZ3 LYS 16 -5.280 9.944 -2.822
125 H VAL 17 H VAL 17 2.216 8.323 -4.730
126 HA VAL 17 HA VAL 17 3.673 10.157 -2.978
127 HB VAL 17 HB VAL 17 3.779 7.140 -3.188
128 HG11 VAL 17 HG11 VAL 17 5.047 8.967 -1.150
129 HG12 VAL 17 HG12 VAL 17 5.905 8.110 -2.429
130 HG13 VAL 17 HG13 VAL 17 5.102 7.204 -1.145
131 HG21 VAL 17 HG21 VAL 17 1.657 7.949 -2.301
132 HG22 VAL 17 HG22 VAL 17 2.515 8.917 -1.103
133 HG23 VAL 17 HG23 VAL 17 2.602 7.156 -1.043
134 HA PRO 18 HA PRO 18 6.821 10.602 -6.126
135 HB2 PRO 18 HB2 PRO 18 8.463 11.325 -3.755
136 HB3 PRO 18 HB3 PRO 18 8.195 12.223 -5.253
137 HG2 PRO 18 HG2 PRO 18 7.020 12.977 -2.985
138 HG3 PRO 18 HG3 PRO 18 6.159 13.072 -4.534
139 HD2 PRO 18 HD2 PRO 18 5.892 11.070 -2.331
140 HD3 PRO 18 HD3 PRO 18 4.638 11.787 -3.366
141 H PHE 19 H PHE 19 8.512 9.450 -6.866
142 HA PHE 19 HA PHE 19 8.659 6.793 -6.062
143 HB2 PHE 19 HB2 PHE 19 9.241 7.912 -8.317
144 HB3 PHE 19 HB3 PHE 19 10.849 8.121 -7.628
145 HD1 PHE 19 HD1 PHE 19 8.285 5.449 -7.870
146 HD2 PHE 19 HD2 PHE 19 12.384 6.521 -8.207
147 HE1 PHE 19 HE1 PHE 19 8.827 3.138 -8.532
148 HE2 PHE 19 HE2 PHE 19 12.942 4.214 -8.869
149 HZ PHE 19 HZ PHE 19 11.161 2.518 -9.033
150 H PHE 20 H PHE 20 10.600 9.524 -5.101
151 HA PHE 20 HA PHE 20 12.882 8.269 -4.132
152 HB2 PHE 20 HB2 PHE 20 11.495 10.669 -2.917
153 HB3 PHE 20 HB3 PHE 20 13.179 10.215 -2.689
154 HD1 PHE 20 HD2 PHE 20 14.618 10.082 -4.858
155 HD2 PHE 20 HD1 PHE 20 10.936 12.191 -4.541
156 HE1 PHE 20 HE2 PHE 20 15.246 11.460 -6.799
157 HE2 PHE 20 HE1 PHE 20 11.556 13.571 -6.483
158 HZ PHE 20 HZ PHE 20 13.714 13.207 -7.612
159 H VAL 21 H VAL 21 9.750 8.785 -2.564
160 HA VAL 21 HA VAL 21 10.718 7.213 -0.268
161 HB VAL 21 HB VAL 21 8.981 8.310 1.081
162 HG11 VAL 21 HG11 VAL 21 10.796 10.218 -0.394
163 HG12 VAL 21 HG12 VAL 21 11.203 9.277 1.042
164 HG13 VAL 21 HG13 VAL 21 9.994 10.556 1.142
165 HG21 VAL 21 HG21 VAL 21 7.760 10.246 0.183
166 HG22 VAL 21 HG22 VAL 21 7.347 8.760 -0.673
167 HG23 VAL 21 HG23 VAL 21 8.443 9.928 -1.411
168 H ARG 22 H ARG 22 8.875 6.959 -2.975
169 HA ARG 22 HA ARG 22 6.500 5.749 -2.134
170 HB2 ARG 22 HB2 ARG 22 6.975 6.506 -4.459
171 HB3 ARG 22 HB3 ARG 22 8.057 5.135 -4.654
172 HG2 ARG 22 HG2 ARG 22 6.175 3.609 -4.291
173 HG3 ARG 22 HG3 ARG 22 5.094 4.995 -4.129
174 HD2 ARG 22 HD2 ARG 22 6.704 4.258 -6.572
175 HD3 ARG 22 HD3 ARG 22 4.967 4.046 -6.368
176 HE ARG 22 HE ARG 22 5.333 6.702 -5.953
177 HH11 ARG 22 HH11 ARG 22 6.157 4.496 -8.549
178 HH12 ARG 22 HH12 ARG 22 6.145 5.733 -9.773
179 HH21 ARG 22 HH21 ARG 22 5.295 8.319 -7.557
180 HH22 ARG 22 HH22 ARG 22 5.660 7.911 -9.210
181 H LYS 23 H LYS 23 9.709 4.430 -2.659
182 HA LYS 23 HA LYS 23 9.124 1.704 -2.428
183 HB2 LYS 23 HB2 LYS 23 11.604 3.202 -1.572
184 HB3 LYS 23 HB3 LYS 23 11.491 1.457 -1.739
185 HG2 LYS 23 HG2 LYS 23 11.089 3.429 -3.976
186 HG3 LYS 23 HG3 LYS 23 12.585 2.554 -3.650
187 HD2 LYS 23 HD2 LYS 23 11.355 0.426 -3.943
188 HD3 LYS 23 HD3 LYS 23 9.916 1.352 -4.377
189 HE2 LYS 23 HE2 LYS 23 11.093 0.558 -6.364
190 HE3 LYS 23 HE3 LYS 23 11.098 2.318 -6.277
191 HZ1 LYS 23 HZ1 LYS 23 13.354 2.235 -5.416
192 HZ2 LYS 23 HZ2 LYS 23 13.261 1.451 -6.918
193 HZ3 LYS 23 HZ3 LYS 23 13.348 0.540 -5.493
194 H LYS 24 H LYS 24 9.783 4.156 0.022
195 HA LYS 24 HA LYS 24 9.847 2.308 2.192
196 HB2 LYS 24 HB2 LYS 24 9.590 5.315 2.123
197 HB3 LYS 24 HB3 LYS 24 9.737 4.378 3.605
198 HG2 LYS 24 HG2 LYS 24 11.902 3.538 2.875
199 HG3 LYS 24 HG3 LYS 24 11.755 4.449 1.372
200 HD2 LYS 24 HD2 LYS 24 11.717 6.538 2.645
201 HD3 LYS 24 HD3 LYS 24 11.858 5.624 4.149
202 HE2 LYS 24 HE2 LYS 24 14.017 4.740 3.405
203 HE3 LYS 24 HE3 LYS 24 13.874 5.654 1.905
204 HZ1 LYS 24 HZ1 LYS 24 15.284 6.795 3.475
205 HZ2 LYS 24 HZ2 LYS 24 14.049 6.804 4.637
206 HZ3 LYS 24 HZ3 LYS 24 13.873 7.700 3.208
207 H VAL 25 H VAL 25 7.385 4.447 0.821
208 HA VAL 25 HA VAL 25 5.380 3.897 2.739
209 HB VAL 25 HB VAL 25 5.056 4.641 -0.178
210 HG11 VAL 25 HG11 VAL 25 3.013 3.666 0.739
211 HG12 VAL 25 HG12 VAL 25 2.814 5.393 0.449
212 HG13 VAL 25 HG13 VAL 25 3.069 4.796 2.090
213 HG21 VAL 25 HG21 VAL 25 4.762 6.923 0.654
214 HG22 VAL 25 HG22 VAL 25 6.348 6.281 1.085
215 HG23 VAL 25 HG23 VAL 25 5.072 6.366 2.299
216 H ARG 26 H ARG 26 6.240 2.388 -0.333
217 HA ARG 26 HA ARG 26 4.288 0.376 -0.390
218 HB2 ARG 26 HB2 ARG 26 5.712 0.957 -2.298
219 HB3 ARG 26 HB3 ARG 26 7.126 0.370 -1.437
220 HG2 ARG 26 HG2 ARG 26 6.252 -1.897 -1.514
221 HG3 ARG 26 HG3 ARG 26 4.793 -1.316 -2.325
222 HD2 ARG 26 HD2 ARG 26 6.091 -0.559 -4.212
223 HD3 ARG 26 HD3 ARG 26 7.590 -0.983 -3.396
224 HE ARG 26 HE ARG 26 6.118 -3.315 -3.536
225 HH11 ARG 26 HH11 ARG 26 7.442 -0.991 -5.808
226 HH12 ARG 26 HH12 ARG 26 7.725 -2.173 -7.048
227 HH21 ARG 26 HH21 ARG 26 6.481 -4.877 -5.194
228 HH22 ARG 26 HH22 ARG 26 7.155 -4.358 -6.709
229 H LYS 27 H LYS 27 7.459 0.519 1.144
230 HA LYS 27 HA LYS 27 7.487 -2.119 2.161
231 HB2 LYS 27 HB2 LYS 27 9.510 -0.760 2.009
232 HB3 LYS 27 HB3 LYS 27 8.844 0.392 3.159
233 HG2 LYS 27 HG2 LYS 27 8.863 -1.325 4.893
234 HG3 LYS 27 HG3 LYS 27 9.545 -2.475 3.740
235 HD2 LYS 27 HD2 LYS 27 11.523 -1.088 3.487
236 HD3 LYS 27 HD3 LYS 27 10.834 0.126 4.567
237 HE2 LYS 27 HE2 LYS 27 10.855 -1.476 6.401
238 HE3 LYS 27 HE3 LYS 27 11.499 -2.716 5.325
239 HZ1 LYS 27 HZ1 LYS 27 13.498 -1.434 5.043
240 HZ2 LYS 27 HZ2 LYS 27 13.215 -1.666 6.701
241 HZ3 LYS 27 HZ3 LYS 27 12.874 -0.165 5.985
242 H ASN 28 H ASN 28 6.208 0.932 3.399
243 HA ASN 28 HA ASN 28 5.548 -0.025 5.983
244 HB2 ASN 28 HB2 ASN 28 4.662 2.328 4.350
245 HB3 ASN 28 HB3 ASN 28 3.804 1.925 5.833
246 HD21 ASN 28 HD21 ASN 28 7.243 1.419 5.378
247 HD22 ASN 28 HD22 ASN 28 7.752 2.618 6.511
248 H THR 29 H THR 29 3.691 0.178 2.952
249 HA THR 29 HA THR 29 1.333 -0.977 4.011
250 HB THR 29 HB THR 29 1.048 -1.691 1.507
251 HG1 THR 29 HG1 THR 29 3.295 -1.216 1.018
252 HG21 THR 29 HG21 THR 29 1.088 1.205 2.355
253 HG22 THR 29 HG22 THR 29 -0.238 0.069 2.610
254 HG23 THR 29 HG23 THR 29 0.213 0.543 0.972
255 H ASP 30 H ASP 30 4.246 -2.337 2.583
256 HA ASP 30 HA ASP 30 3.511 -5.012 2.371
257 HB2 ASP 30 HB2 ASP 30 5.633 -4.307 1.513
258 HB3 ASP 30 HB3 ASP 30 6.147 -3.706 3.083
259 H ASN 31 H ASN 31 4.773 -3.224 5.137
260 HA ASN 31 HA ASN 31 4.596 -5.421 6.940
261 HB2 ASN 31 HB2 ASN 31 5.050 -2.473 7.283
262 HB3 ASN 31 HB3 ASN 31 4.782 -3.507 8.682
263 HD21 ASN 31 HD21 ASN 31 6.912 -2.777 6.018
264 HD22 ASN 31 HD22 ASN 31 8.286 -3.629 6.638
265 H TYR 32 H TYR 32 2.383 -2.874 5.945
266 HA TYR 32 HA TYR 32 0.594 -3.235 8.149
267 HB2 TYR 32 HB2 TYR 32 0.589 -1.114 6.960
268 HB3 TYR 32 HB3 TYR 32 0.138 -1.925 5.461
269 HD1 TYR 32 HD1 TYR 32 -1.063 -1.430 8.954
270 HD2 TYR 32 HD2 TYR 32 -2.116 -2.066 4.883
271 HE1 TYR 32 HE1 TYR 32 -3.436 -1.179 9.537
272 HE2 TYR 32 HE2 TYR 32 -4.497 -1.809 5.452
273 HH TYR 32 HH TYR 32 -5.931 -2.113 7.539
274 H ALA 33 H ALA 33 0.623 -4.344 4.784
275 HA ALA 33 HA ALA 33 -1.829 -5.718 4.863
276 HB1 ALA 33 HB1 ALA 33 -1.030 -6.890 2.879
277 HB2 ALA 33 HB2 ALA 33 0.605 -6.304 3.183
278 HB3 ALA 33 HB3 ALA 33 -0.679 -5.164 2.780
279 H ARG 34 H ARG 34 1.473 -6.726 5.584
280 HA ARG 34 HA ARG 34 0.792 -9.409 6.234
281 HB2 ARG 34 HB2 ARG 34 3.184 -7.685 6.433
282 HB3 ARG 34 HB3 ARG 34 3.103 -9.025 7.572
283 HG2 ARG 34 HG2 ARG 34 2.965 -10.616 5.843
284 HG3 ARG 34 HG3 ARG 34 2.693 -9.373 4.624
285 HD2 ARG 34 HD2 ARG 34 4.928 -8.617 4.757
286 HD3 ARG 34 HD3 ARG 34 5.219 -9.513 6.251
287 HE ARG 34 HE ARG 34 5.103 -11.557 4.939
288 HH11 ARG 34 HH11 ARG 34 5.585 -8.564 3.154
289 HH12 ARG 34 HH12 ARG 34 6.247 -9.375 1.773
290 HH21 ARG 34 HH21 ARG 34 5.980 -12.593 3.116
291 HH22 ARG 34 HH22 ARG 34 6.487 -11.647 1.742
292 H GLU 35 H GLU 35 0.622 -6.418 7.932
293 HA GLU 35 HA GLU 35 0.581 -7.492 10.562
294 HB2 GLU 35 HB2 GLU 35 1.078 -5.124 10.118
295 HB3 GLU 35 HB3 GLU 35 -0.545 -4.892 9.487
296 HG2 GLU 35 HG2 GLU 35 -1.450 -5.430 11.719
297 HG3 GLU 35 HG3 GLU 35 0.201 -5.554 12.327
298 H ILE 36 H ILE 36 -1.865 -6.738 8.145
299 HA ILE 36 HA ILE 36 -4.001 -7.633 9.912
300 HB ILE 36 HB ILE 36 -5.528 -6.993 8.077
301 HG12 ILE 36 HG12 ILE 36 -2.998 -6.074 6.691
302 HG13 ILE 36 HG13 ILE 36 -4.010 -7.421 6.182
303 HG21 ILE 36 HG21 ILE 36 -3.531 -4.895 8.910
304 HG22 ILE 36 HG22 ILE 36 -4.977 -5.383 9.794
305 HG23 ILE 36 HG23 ILE 36 -5.128 -4.564 8.239
306 HD11 ILE 36 HD11 ILE 36 -4.854 -4.531 6.281
307 HD12 ILE 36 HD12 ILE 36 -5.846 -5.885 5.739
308 HD13 ILE 36 HD13 ILE 36 -4.402 -5.431 4.834
309 H GLY 37 H GLY 37 -1.874 -9.054 7.788
310 HA2 GLY 37 HA2 GLY 37 -1.713 -11.345 7.403
311 HA3 GLY 37 HA3 GLY 37 -3.374 -11.527 7.938
312 H GLU 38 H GLU 38 -3.067 -9.083 5.624
313 HA GLU 38 HA GLU 38 -4.290 -10.857 3.629
314 HB2 GLU 38 HB2 GLU 38 -4.312 -7.845 3.906
315 HB3 GLU 38 HB3 GLU 38 -5.046 -8.717 2.568
316 HG2 GLU 38 HG2 GLU 38 -5.812 -9.204 5.430
317 HG3 GLU 38 HG3 GLU 38 -6.587 -7.980 4.427
318 HA PRO 39 HA PRO 39 -0.332 -10.426 1.546
319 HB2 PRO 39 HB2 PRO 39 -1.176 -12.540 -0.218
320 HB3 PRO 39 HB3 PRO 39 0.007 -12.612 1.089
321 HG2 PRO 39 HG2 PRO 39 -2.409 -13.910 1.136
322 HG3 PRO 39 HG3 PRO 39 -1.517 -13.421 2.588
323 HD2 PRO 39 HD2 PRO 39 -3.838 -12.083 1.245
324 HD3 PRO 39 HD3 PRO 39 -3.517 -12.314 2.980
325 H VAL 40 H VAL 40 -3.361 -9.638 0.479
326 HA VAL 40 HA VAL 40 -2.370 -8.846 -2.182
327 HB VAL 40 HB VAL 40 -5.238 -9.449 -1.419
328 HG11 VAL 40 HG11 VAL 40 -5.675 -9.246 -3.831
329 HG12 VAL 40 HG12 VAL 40 -4.003 -8.747 -4.078
330 HG13 VAL 40 HG13 VAL 40 -5.091 -7.737 -3.129
331 HG21 VAL 40 HG21 VAL 40 -3.325 -11.034 -3.130
332 HG22 VAL 40 HG22 VAL 40 -5.027 -11.411 -2.863
333 HG23 VAL 40 HG23 VAL 40 -3.885 -11.483 -1.520
334 H VAL 41 H VAL 41 -2.154 -6.736 -2.417
335 HA VAL 41 HA VAL 41 -3.456 -4.952 -0.499
336 HB VAL 41 HB VAL 41 -1.238 -4.356 -2.471
337 HG11 VAL 41 HG11 VAL 41 -2.374 -2.675 -0.236
338 HG12 VAL 41 HG12 VAL 41 -2.562 -2.377 -1.965
339 HG13 VAL 41 HG13 VAL 41 -0.967 -2.265 -1.219
340 HG21 VAL 41 HG21 VAL 41 -0.499 -5.883 -0.727
341 HG22 VAL 41 HG22 VAL 41 -1.139 -4.805 0.512
342 HG23 VAL 41 HG23 VAL 41 0.216 -4.288 -0.490
343 H THR 42 H THR 42 -5.468 -4.592 -1.209
344 HA THR 42 HA THR 42 -5.928 -3.776 -3.974
345 HB THR 42 HB THR 42 -8.334 -3.711 -3.230
346 HG1 THR 42 HG1 THR 42 -8.046 -5.242 -1.033
347 HG21 THR 42 HG21 THR 42 -7.393 -5.682 -4.345
348 HG22 THR 42 HG22 THR 42 -8.595 -6.146 -3.141
349 HG23 THR 42 HG23 THR 42 -6.876 -6.322 -2.787
350 H ALA 43 H ALA 43 -7.716 -1.903 -4.030
351 HA ALA 43 HA ALA 43 -6.582 0.483 -3.065
352 HB1 ALA 43 HB1 ALA 43 -9.446 -0.036 -3.876
353 HB2 ALA 43 HB2 ALA 43 -8.133 0.409 -4.966
354 HB3 ALA 43 HB3 ALA 43 -8.679 1.547 -3.733
355 H ASP 44 H ASP 44 -8.881 -1.758 -1.711
356 HA ASP 44 HA ASP 44 -9.817 -0.114 0.400
357 HB2 ASP 44 HB2 ASP 44 -9.703 -3.137 0.234
358 HB3 ASP 44 HB3 ASP 44 -10.646 -2.210 1.397
359 H VAL 45 H VAL 45 -7.244 -2.535 0.166
360 HA VAL 45 HA VAL 45 -6.430 -2.403 2.865
361 HB VAL 45 HB VAL 45 -4.786 -3.139 0.435
362 HG11 VAL 45 HG11 VAL 45 -3.363 -2.607 2.334
363 HG12 VAL 45 HG12 VAL 45 -3.352 -4.344 2.023
364 HG13 VAL 45 HG13 VAL 45 -4.301 -3.693 3.359
365 HG21 VAL 45 HG21 VAL 45 -5.314 -5.449 1.036
366 HG22 VAL 45 HG22 VAL 45 -6.775 -4.527 0.679
367 HG23 VAL 45 HG23 VAL 45 -6.337 -4.872 2.352
368 H PHE 46 H PHE 46 -5.266 -0.701 -0.040
369 HA PHE 46 HA PHE 46 -3.241 0.762 1.290
370 HB2 PHE 46 HB2 PHE 46 -3.502 0.411 -1.225
371 HB3 PHE 46 HB3 PHE 46 -4.717 1.684 -1.177
372 HD1 PHE 46 HD2 PHE 46 -4.066 4.004 -0.641
373 HD2 PHE 46 HD1 PHE 46 -1.182 0.902 -1.049
374 HE1 PHE 46 HE2 PHE 46 -2.288 5.688 -0.851
375 HE2 PHE 46 HE1 PHE 46 0.601 2.583 -1.260
376 HZ PHE 46 HZ PHE 46 0.050 4.978 -1.159
377 H ARG 47 H ARG 47 -6.653 1.356 0.698
378 HA ARG 47 HA ARG 47 -6.826 4.010 1.565
379 HB2 ARG 47 HB2 ARG 47 -8.659 2.750 0.453
380 HB3 ARG 47 HB3 ARG 47 -8.872 1.812 1.924
381 HG2 ARG 47 HG2 ARG 47 -9.331 3.993 3.104
382 HG3 ARG 47 HG3 ARG 47 -9.398 4.736 1.504
383 HD2 ARG 47 HD2 ARG 47 -11.153 2.535 2.575
384 HD3 ARG 47 HD3 ARG 47 -11.627 4.188 2.192
385 HE ARG 47 HE ARG 47 -10.721 2.287 0.126
386 HH11 ARG 47 HH11 ARG 47 -12.922 4.752 1.285
387 HH12 ARG 47 HH12 ARG 47 -13.945 4.665 -0.120
388 HH21 ARG 47 HH21 ARG 47 -12.034 2.193 -1.731
389 HH22 ARG 47 HH22 ARG 47 -13.425 3.232 -1.844
390 H LYS 48 H LYS 48 -7.307 0.981 3.369
391 HA LYS 48 HA LYS 48 -7.691 2.175 5.879
392 HB2 LYS 48 HB2 LYS 48 -6.722 -0.584 5.142
393 HB3 LYS 48 HB3 LYS 48 -7.059 -0.084 6.794
394 HG2 LYS 48 HG2 LYS 48 -9.388 0.510 5.981
395 HG3 LYS 48 HG3 LYS 48 -8.981 -0.383 4.512
396 HD2 LYS 48 HD2 LYS 48 -8.556 -2.386 5.815
397 HD3 LYS 48 HD3 LYS 48 -8.855 -1.499 7.312
398 HE2 LYS 48 HE2 LYS 48 -11.164 -1.031 6.465
399 HE3 LYS 48 HE3 LYS 48 -10.825 -2.133 5.130
400 HZ1 LYS 48 HZ1 LYS 48 -10.749 -2.850 8.011
401 HZ2 LYS 48 HZ2 LYS 48 -10.467 -3.907 6.717
402 HZ3 LYS 48 HZ3 LYS 48 -12.004 -3.231 6.939
403 H ALA 49 H ALA 49 -4.783 1.253 4.158
404 HA ALA 49 HA ALA 49 -2.915 1.492 6.212
405 HB1 ALA 49 HB1 ALA 49 -2.565 2.275 3.320
406 HB2 ALA 49 HB2 ALA 49 -2.373 0.649 3.977
407 HB3 ALA 49 HB3 ALA 49 -1.273 1.936 4.474
408 H LYS 50 H LYS 50 -4.360 3.973 4.138
409 HA LYS 50 HA LYS 50 -2.883 6.154 5.179
410 HB2 LYS 50 HB2 LYS 50 -5.526 5.981 3.738
411 HB3 LYS 50 HB3 LYS 50 -4.843 7.514 4.257
412 HG2 LYS 50 HG2 LYS 50 -3.105 5.728 2.659
413 HG3 LYS 50 HG3 LYS 50 -4.449 6.510 1.830
414 HD2 LYS 50 HD2 LYS 50 -2.395 7.832 1.660
415 HD3 LYS 50 HD3 LYS 50 -3.646 8.696 2.552
416 HE2 LYS 50 HE2 LYS 50 -2.580 8.069 4.660
417 HE3 LYS 50 HE3 LYS 50 -1.347 7.171 3.778
418 HZ1 LYS 50 HZ1 LYS 50 -0.691 9.451 4.517
419 HZ2 LYS 50 HZ2 LYS 50 -1.801 10.080 3.405
420 HZ3 LYS 50 HZ3 LYS 50 -0.485 9.154 2.862
421 H GLU 51 H GLU 51 -5.806 4.536 6.220
422 HA GLU 51 HA GLU 51 -6.522 6.537 8.153
423 HB2 GLU 51 HB2 GLU 51 -7.434 3.660 8.024
424 HB3 GLU 51 HB3 GLU 51 -8.231 4.988 8.858
425 HG2 GLU 51 HG2 GLU 51 -8.662 6.074 6.710
426 HG3 GLU 51 HG3 GLU 51 -7.884 4.726 5.881
427 H HIS 52 H HIS 52 -4.748 3.510 8.171
428 HA HIS 52 HA HIS 52 -4.566 3.376 11.043
429 HB2 HIS 52 HB2 HIS 52 -4.669 1.395 9.482
430 HB3 HIS 52 HB3 HIS 52 -3.018 1.765 9.013
431 HD1 HIS 52 HD1 HIS 52 -5.043 0.646 11.986
432 HD2 HIS 52 HD2 HIS 52 -1.087 0.793 10.711
433 HE1 HIS 52 HE1 HIS 52 -3.748 -0.744 13.633
434 HE2 HIS 52 HE2 HIS 52 -1.425 -0.863 12.668
435 H LEU 53 H LEU 53 -2.394 4.236 8.380
436 HA LEU 53 HA LEU 53 -0.211 4.710 10.245
437 HB2 LEU 53 HB2 LEU 53 -0.339 5.046 7.247
438 HB3 LEU 53 HB3 LEU 53 1.105 5.231 8.225
439 HG LEU 53 HG LEU 53 -0.462 2.672 7.889
440 HD11 LEU 53 HD11 LEU 53 1.466 1.904 6.613
441 HD12 LEU 53 HD12 LEU 53 2.214 3.493 6.774
442 HD13 LEU 53 HD13 LEU 53 0.719 3.311 5.855
443 HD21 LEU 53 HD21 LEU 53 1.422 1.636 9.059
444 HD22 LEU 53 HD22 LEU 53 0.591 2.815 10.072
445 HD23 LEU 53 HD23 LEU 53 2.130 3.229 9.321
446 H GLY 54 H GLY 54 -2.531 6.510 8.350
447 HA2 GLY 54 HA2 GLY 54 -1.254 9.044 9.082
448 HA3 GLY 54 HA3 GLY 54 -2.589 8.845 7.954
449 H GLY 55 H GLY 55 -4.688 8.245 8.868
450 HA2 GLY 55 HA2 GLY 55 -6.329 8.201 10.489
451 HA3 GLY 55 HA3 GLY 55 -5.086 8.432 11.709
452 H LEU 56 H LEU 56 -3.992 10.762 11.283
453 HA LEU 56 HA LEU 56 -5.756 12.570 12.396
454 HB2 LEU 56 HB2 LEU 56 -3.238 13.119 10.832
455 HB3 LEU 56 HB3 LEU 56 -4.081 14.316 11.795
456 HG LEU 56 HG LEU 56 -2.809 11.790 12.860
457 HD11 LEU 56 HD11 LEU 56 -1.969 14.673 13.107
458 HD12 LEU 56 HD12 LEU 56 -1.174 13.445 12.123
459 HD13 LEU 56 HD13 LEU 56 -1.189 13.293 13.880
460 HD21 LEU 56 HD21 LEU 56 -4.108 14.091 14.319
461 HD22 LEU 56 HD22 LEU 56 -3.299 12.710 15.060
462 HD23 LEU 56 HD23 LEU 56 -4.784 12.473 14.141
463 H GLU 57 H GLU 57 -4.543 12.720 9.027
464 HA GLU 57 HA GLU 57 -6.990 14.231 8.404
465 HB2 GLU 57 HB2 GLU 57 -4.209 14.655 7.326
466 HB3 GLU 57 HB3 GLU 57 -5.649 15.405 6.649
467 HG2 GLU 57 HG2 GLU 57 -6.081 16.475 8.821
468 HG3 GLU 57 HG3 GLU 57 -4.584 15.774 9.438
469 H HIS 58 H HIS 58 -7.943 13.952 6.433
470 HA HIS 58 HA HIS 58 -6.961 11.911 4.624
471 HB2 HIS 58 HB2 HIS 58 -9.314 10.821 4.688
472 HB3 HIS 58 HB3 HIS 58 -8.154 10.390 5.935
473 HD1 HIS 58 HD1 HIS 58 -11.230 12.548 5.440
474 HD2 HIS 58 HD2 HIS 58 -8.987 10.860 8.503
475 HE1 HIS 58 HE1 HIS 58 -12.573 12.900 7.532
476 HE2 HIS 58 HE2 HIS 58 -11.276 11.723 9.346
477 H HIS 59 H HIS 59 -6.778 13.693 3.241
478 HA HIS 59 HA HIS 59 -9.160 15.280 2.722
479 HB2 HIS 59 HB2 HIS 59 -6.314 15.556 1.738
480 HB3 HIS 59 HB3 HIS 59 -7.627 16.622 1.256
481 HD1 HIS 59 HD1 HIS 59 -8.448 18.359 2.968
482 HD2 HIS 59 HD2 HIS 59 -5.358 15.936 4.358
483 HE1 HIS 59 HE1 HIS 59 -7.625 19.442 5.090
484 HE2 HIS 59 HE2 HIS 59 -5.789 17.939 5.945
485 H HIS 60 H HIS 60 -10.534 14.074 1.563
486 HA HIS 60 HA HIS 60 -9.817 13.675 -1.227
487 HB2 HIS 60 HB2 HIS 60 -9.438 11.476 -0.073
488 HB3 HIS 60 HB3 HIS 60 -11.137 11.479 0.390
489 HD1 HIS 60 HD1 HIS 60 -9.027 11.512 -2.779
490 HD2 HIS 60 HD2 HIS 60 -12.786 10.339 -1.428
491 HE1 HIS 60 HE1 HIS 60 -10.088 10.272 -4.701
492 HE2 HIS 60 HE2 HIS 60 -12.301 9.442 -3.806
493 H HIS 61 H HIS 61 -11.305 14.669 -2.372
494 HA HIS 61 HA HIS 61 -13.798 15.422 -1.053
495 HB2 HIS 61 HB2 HIS 61 -12.274 17.110 -2.168
496 HB3 HIS 61 HB3 HIS 61 -12.726 16.388 -3.708
497 HD1 HIS 61 HD1 HIS 61 -13.907 18.702 -1.075
498 HD2 HIS 61 HD2 HIS 61 -15.422 16.884 -4.499
499 HE1 HIS 61 HE1 HIS 61 -16.028 19.942 -1.626
500 HE2 HIS 61 HE2 HIS 61 -16.824 18.943 -3.800
501 H HIS 62 H HIS 62 -15.554 14.271 -1.392
502 HA HIS 62 HA HIS 62 -15.735 12.393 -3.575
503 HB2 HIS 62 HB2 HIS 62 -16.648 11.825 -1.364
504 HB3 HIS 62 HB3 HIS 62 -17.763 13.184 -1.469
505 HD1 HIS 62 HD1 HIS 62 -19.808 12.931 -3.056
506 HD2 HIS 62 HD2 HIS 62 -17.400 9.545 -2.802
507 HE1 HIS 62 HE1 HIS 62 -21.148 11.066 -4.077
508 HE2 HIS 62 HE2 HIS 62 -19.748 8.999 -3.759
509 H HIS 63 H HIS 63 -16.519 12.832 -5.525
510 HA HIS 63 HA HIS 63 -18.748 14.618 -5.885
511 HB2 HIS 63 HB2 HIS 63 -16.751 16.152 -5.848
512 HB3 HIS 63 HB3 HIS 63 -16.135 15.295 -7.255
513 HD1 HIS 63 HD1 HIS 63 -16.758 16.273 -9.436
514 HD2 HIS 63 HD2 HIS 63 -19.408 17.372 -6.423
515 HE1 HIS 63 HE1 HIS 63 -18.349 17.905 -10.493
516 HE2 HIS 63 HE2 HIS 63 -19.839 18.687 -8.611
Start of MODEL 13
1 H1 MET 1 H1 MET 1 3.686 -16.806 2.259
2 H2 MET 1 H2 MET 1 2.007 -16.799 2.036
3 H3 MET 1 H3 MET 1 2.910 -15.410 1.693
4 HA MET 1 HA MET 1 3.026 -17.994 0.255
5 HB2 MET 1 HB2 MET 1 1.035 -16.653 -0.249
6 HB3 MET 1 HB3 MET 1 2.047 -15.260 -0.599
7 HG2 MET 1 HG2 MET 1 3.047 -16.463 -2.479
8 HG3 MET 1 HG3 MET 1 2.018 -17.851 -2.130
9 HE1 MET 1 HE1 MET 1 0.411 -13.742 -3.499
10 HE2 MET 1 HE2 MET 1 2.122 -14.090 -3.246
11 HE3 MET 1 HE3 MET 1 1.018 -14.043 -1.870
12 H GLY 2 H GLY 2 4.246 -14.666 0.495
13 HA2 GLY 2 HA2 GLY 2 6.894 -15.083 0.188
14 HA3 GLY 2 HA3 GLY 2 6.314 -15.162 -1.471
15 H GLU 3 H GLU 3 5.653 -13.319 -2.502
16 HA GLU 3 HA GLU 3 6.205 -10.807 -1.072
17 HB2 GLU 3 HB2 GLU 3 7.128 -11.701 -3.511
18 HB3 GLU 3 HB3 GLU 3 5.779 -10.678 -3.977
19 HG2 GLU 3 HG2 GLU 3 7.994 -9.765 -2.160
20 HG3 GLU 3 HG3 GLU 3 8.025 -9.568 -3.910
21 H LEU 4 H LEU 4 4.714 -9.013 -1.432
22 HA LEU 4 HA LEU 4 1.988 -9.952 -1.298
23 HB2 LEU 4 HB2 LEU 4 3.012 -7.116 -1.267
24 HB3 LEU 4 HB3 LEU 4 1.413 -7.647 -0.797
25 HG LEU 4 HG LEU 4 3.977 -8.328 0.643
26 HD11 LEU 4 HD11 LEU 4 1.712 -6.482 1.393
27 HD12 LEU 4 HD12 LEU 4 3.346 -5.999 0.933
28 HD13 LEU 4 HD13 LEU 4 3.083 -6.906 2.423
29 HD21 LEU 4 HD21 LEU 4 2.524 -9.303 2.340
30 HD22 LEU 4 HD22 LEU 4 2.324 -10.119 0.787
31 HD23 LEU 4 HD23 LEU 4 1.114 -8.960 1.339
32 H SER 5 H SER 5 0.264 -8.982 -2.586
33 HA SER 5 HA SER 5 1.181 -8.434 -5.333
34 HB2 SER 5 HB2 SER 5 -1.374 -9.783 -4.441
35 HB3 SER 5 HB3 SER 5 -0.854 -9.537 -6.107
36 HG SER 5 HG SER 5 0.891 -10.854 -4.374
37 H TRP 6 H TRP 6 1.005 -6.298 -5.624
38 HA TRP 6 HA TRP 6 -1.115 -4.767 -4.405
39 HB2 TRP 6 HB2 TRP 6 1.150 -4.089 -6.267
40 HB3 TRP 6 HB3 TRP 6 -0.103 -2.914 -5.878
41 HD1 TRP 6 HD1 TRP 6 2.249 -5.235 -3.805
42 HE1 TRP 6 HE1 TRP 6 3.107 -3.868 -1.801
43 HE3 TRP 6 HE3 TRP 6 -0.222 -0.851 -4.700
44 HZ2 TRP 6 HZ2 TRP 6 2.788 -1.269 -0.748
45 HZ3 TRP 6 HZ3 TRP 6 0.113 1.032 -3.149
46 HH2 TRP 6 HH2 TRP 6 1.587 0.824 -1.212
47 H THR 7 H THR 7 -2.890 -3.936 -5.360
48 HA THR 7 HA THR 7 -3.711 -5.123 -7.875
49 HB THR 7 HB THR 7 -5.887 -3.965 -7.386
50 HG1 THR 7 HG1 THR 7 -4.689 -3.413 -4.855
51 HG21 THR 7 HG21 THR 7 -5.550 -6.278 -6.721
52 HG22 THR 7 HG22 THR 7 -6.485 -5.426 -5.490
53 HG23 THR 7 HG23 THR 7 -4.772 -5.756 -5.228
54 H ALA 8 H ALA 8 -4.737 -3.785 -9.540
55 HA ALA 8 HA ALA 8 -3.111 -1.747 -10.506
56 HB1 ALA 8 HB1 ALA 8 -4.878 -1.305 -12.116
57 HB2 ALA 8 HB2 ALA 8 -6.019 -2.224 -11.134
58 HB3 ALA 8 HB3 ALA 8 -4.655 -3.041 -11.897
59 H GLU 9 H GLU 9 -6.002 -1.586 -8.524
60 HA GLU 9 HA GLU 9 -6.375 1.206 -8.628
61 HB2 GLU 9 HB2 GLU 9 -7.227 -0.855 -6.599
62 HB3 GLU 9 HB3 GLU 9 -7.740 0.826 -6.555
63 HG2 GLU 9 HG2 GLU 9 -8.251 -1.081 -8.825
64 HG3 GLU 9 HG3 GLU 9 -9.414 -0.642 -7.573
65 H ALA 10 H ALA 10 -4.688 -0.880 -6.315
66 HA ALA 10 HA ALA 10 -3.974 1.159 -4.504
67 HB1 ALA 10 HB1 ALA 10 -2.556 -1.454 -5.021
68 HB2 ALA 10 HB2 ALA 10 -3.926 -1.231 -3.934
69 HB3 ALA 10 HB3 ALA 10 -2.387 -0.439 -3.590
70 H GLU 11 H GLU 11 -2.208 -0.315 -7.213
71 HA GLU 11 HA GLU 11 0.143 1.220 -6.909
72 HB2 GLU 11 HB2 GLU 11 -0.977 -0.071 -9.401
73 HB3 GLU 11 HB3 GLU 11 0.668 0.519 -9.207
74 HG2 GLU 11 HG2 GLU 11 1.000 -1.115 -7.391
75 HG3 GLU 11 HG3 GLU 11 -0.618 -1.744 -7.700
76 H LYS 12 H LYS 12 -2.864 1.781 -8.606
77 HA LYS 12 HA LYS 12 -2.112 3.920 -10.241
78 HB2 LYS 12 HB2 LYS 12 -4.255 2.655 -10.372
79 HB3 LYS 12 HB3 LYS 12 -4.790 3.469 -8.910
80 HG2 LYS 12 HG2 LYS 12 -4.761 5.601 -10.041
81 HG3 LYS 12 HG3 LYS 12 -4.102 4.849 -11.497
82 HD2 LYS 12 HD2 LYS 12 -6.467 5.156 -11.802
83 HD3 LYS 12 HD3 LYS 12 -6.146 3.431 -11.619
84 HE2 LYS 12 HE2 LYS 12 -6.735 3.689 -9.187
85 HE3 LYS 12 HE3 LYS 12 -7.266 5.327 -9.562
86 HZ1 LYS 12 HZ1 LYS 12 -8.416 2.769 -10.513
87 HZ2 LYS 12 HZ2 LYS 12 -8.766 4.247 -11.275
88 HZ3 LYS 12 HZ3 LYS 12 -9.181 4.009 -9.646
89 H MET 13 H MET 13 -3.220 3.858 -6.881
90 HA MET 13 HA MET 13 -3.116 6.727 -6.624
91 HB2 MET 13 HB2 MET 13 -3.494 4.517 -4.605
92 HB3 MET 13 HB3 MET 13 -3.481 6.223 -4.180
93 HG2 MET 13 HG2 MET 13 -5.397 6.594 -5.661
94 HG3 MET 13 HG3 MET 13 -5.418 4.875 -6.049
95 HE1 MET 13 HE1 MET 13 -4.745 3.542 -3.259
96 HE2 MET 13 HE2 MET 13 -6.030 2.973 -4.327
97 HE3 MET 13 HE3 MET 13 -6.367 3.261 -2.623
98 H LEU 14 H LEU 14 -1.021 4.011 -5.956
99 HA LEU 14 HA LEU 14 0.852 5.371 -4.327
100 HB2 LEU 14 HB2 LEU 14 0.638 2.897 -4.524
101 HB3 LEU 14 HB3 LEU 14 1.320 2.996 -6.135
102 HG LEU 14 HG LEU 14 3.408 3.923 -5.154
103 HD11 LEU 14 HD11 LEU 14 2.445 4.868 -3.120
104 HD12 LEU 14 HD12 LEU 14 3.769 3.764 -2.752
105 HD13 LEU 14 HD13 LEU 14 2.098 3.246 -2.525
106 HD21 LEU 14 HD21 LEU 14 4.186 1.800 -4.184
107 HD22 LEU 14 HD22 LEU 14 3.250 1.557 -5.660
108 HD23 LEU 14 HD23 LEU 14 2.513 1.245 -4.088
109 H GLY 15 H GLY 15 0.304 5.252 -7.743
110 HA2 GLY 15 HA2 GLY 15 2.846 6.176 -8.607
111 HA3 GLY 15 HA3 GLY 15 1.351 6.258 -9.524
112 H LYS 16 H LYS 16 0.133 7.784 -7.198
113 HA LYS 16 HA LYS 16 0.876 10.419 -8.095
114 HB2 LYS 16 HB2 LYS 16 -1.056 9.407 -6.016
115 HB3 LYS 16 HB3 LYS 16 -0.757 11.122 -6.259
116 HG2 LYS 16 HG2 LYS 16 -1.493 10.901 -8.595
117 HG3 LYS 16 HG3 LYS 16 -1.837 9.194 -8.307
118 HD2 LYS 16 HD2 LYS 16 -3.544 9.730 -6.724
119 HD3 LYS 16 HD3 LYS 16 -3.092 11.435 -6.729
120 HE2 LYS 16 HE2 LYS 16 -3.762 11.587 -9.092
121 HE3 LYS 16 HE3 LYS 16 -4.248 9.893 -9.050
122 HZ1 LYS 16 HZ1 LYS 16 -6.013 11.715 -8.701
123 HZ2 LYS 16 HZ2 LYS 16 -5.398 11.808 -7.122
124 HZ3 LYS 16 HZ3 LYS 16 -6.045 10.348 -7.701
125 H VAL 17 H VAL 17 1.921 8.275 -5.721
126 HA VAL 17 HA VAL 17 2.953 10.291 -3.909
127 HB VAL 17 HB VAL 17 3.158 7.276 -3.934
128 HG11 VAL 17 HG11 VAL 17 5.150 8.198 -2.877
129 HG12 VAL 17 HG12 VAL 17 4.099 7.445 -1.677
130 HG13 VAL 17 HG13 VAL 17 4.145 9.203 -1.832
131 HG21 VAL 17 HG21 VAL 17 0.940 8.065 -3.426
132 HG22 VAL 17 HG22 VAL 17 1.575 9.181 -2.218
133 HG23 VAL 17 HG23 VAL 17 1.691 7.442 -1.955
134 HA PRO 18 HA PRO 18 6.771 10.980 -6.110
135 HB2 PRO 18 HB2 PRO 18 7.787 11.184 -3.308
136 HB3 PRO 18 HB3 PRO 18 8.035 12.277 -4.676
137 HG2 PRO 18 HG2 PRO 18 6.308 12.903 -2.756
138 HG3 PRO 18 HG3 PRO 18 5.935 13.244 -4.456
139 HD2 PRO 18 HD2 PRO 18 4.867 11.112 -2.672
140 HD3 PRO 18 HD3 PRO 18 4.066 11.990 -3.989
141 H PHE 19 H PHE 19 8.244 9.574 -6.862
142 HA PHE 19 HA PHE 19 8.179 6.913 -5.937
143 HB2 PHE 19 HB2 PHE 19 9.828 6.415 -7.645
144 HB3 PHE 19 HB3 PHE 19 8.583 7.472 -8.290
145 HD1 PHE 19 HD2 PHE 19 9.097 9.840 -8.753
146 HD2 PHE 19 HD1 PHE 19 12.102 7.085 -7.532
147 HE1 PHE 19 HE2 PHE 19 10.834 11.379 -9.566
148 HE2 PHE 19 HE1 PHE 19 13.843 8.616 -8.348
149 HZ PHE 19 HZ PHE 19 13.211 10.767 -9.366
150 H PHE 20 H PHE 20 10.132 9.558 -5.004
151 HA PHE 20 HA PHE 20 12.381 8.201 -3.991
152 HB2 PHE 20 HB2 PHE 20 11.075 10.713 -2.915
153 HB3 PHE 20 HB3 PHE 20 12.711 10.168 -2.563
154 HD1 PHE 20 HD2 PHE 20 14.404 10.135 -4.403
155 HD2 PHE 20 HD1 PHE 20 10.587 11.965 -4.828
156 HE1 PHE 20 HE2 PHE 20 15.245 11.429 -6.319
157 HE2 PHE 20 HE1 PHE 20 11.420 13.267 -6.746
158 HZ PHE 20 HZ PHE 20 13.751 13.000 -7.493
159 H VAL 21 H VAL 21 9.471 9.364 -2.304
160 HA VAL 21 HA VAL 21 10.163 7.875 0.068
161 HB VAL 21 HB VAL 21 8.162 8.859 1.063
162 HG11 VAL 21 HG11 VAL 21 8.823 11.201 0.951
163 HG12 VAL 21 HG12 VAL 21 9.764 10.879 -0.506
164 HG13 VAL 21 HG13 VAL 21 10.238 10.151 1.030
165 HG21 VAL 21 HG21 VAL 21 6.758 10.423 -0.198
166 HG22 VAL 21 HG22 VAL 21 6.688 8.799 -0.884
167 HG23 VAL 21 HG23 VAL 21 7.658 10.047 -1.668
168 H ARG 22 H ARG 22 8.464 7.254 -2.766
169 HA ARG 22 HA ARG 22 6.308 5.694 -2.002
170 HB2 ARG 22 HB2 ARG 22 6.787 6.406 -4.320
171 HB3 ARG 22 HB3 ARG 22 8.122 5.265 -4.383
172 HG2 ARG 22 HG2 ARG 22 6.543 3.415 -4.075
173 HG3 ARG 22 HG3 ARG 22 5.210 4.572 -4.052
174 HD2 ARG 22 HD2 ARG 22 7.123 4.128 -6.343
175 HD3 ARG 22 HD3 ARG 22 5.472 3.518 -6.253
176 HE ARG 22 HE ARG 22 5.158 6.187 -5.930
177 HH11 ARG 22 HH11 ARG 22 6.807 4.239 -8.316
178 HH12 ARG 22 HH12 ARG 22 6.587 5.384 -9.603
179 HH21 ARG 22 HH21 ARG 22 4.860 7.713 -7.598
180 HH22 ARG 22 HH22 ARG 22 5.451 7.368 -9.201
181 H LYS 23 H LYS 23 9.711 4.811 -2.248
182 HA LYS 23 HA LYS 23 9.429 2.032 -1.951
183 HB2 LYS 23 HB2 LYS 23 11.685 3.892 -1.209
184 HB3 LYS 23 HB3 LYS 23 11.802 2.141 -1.094
185 HG2 LYS 23 HG2 LYS 23 11.484 1.915 -3.468
186 HG3 LYS 23 HG3 LYS 23 11.197 3.648 -3.630
187 HD2 LYS 23 HD2 LYS 23 13.471 3.048 -4.308
188 HD3 LYS 23 HD3 LYS 23 13.474 4.110 -2.900
189 HE2 LYS 23 HE2 LYS 23 15.113 2.341 -2.617
190 HE3 LYS 23 HE3 LYS 23 13.812 2.158 -1.444
191 HZ1 LYS 23 HZ1 LYS 23 14.550 0.065 -2.556
192 HZ2 LYS 23 HZ2 LYS 23 13.906 0.663 -4.009
193 HZ3 LYS 23 HZ3 LYS 23 12.888 0.380 -2.678
194 H LYS 24 H LYS 24 9.630 4.628 0.417
195 HA LYS 24 HA LYS 24 9.746 2.829 2.648
196 HB2 LYS 24 HB2 LYS 24 9.463 5.805 2.386
197 HB3 LYS 24 HB3 LYS 24 9.195 5.020 3.935
198 HG2 LYS 24 HG2 LYS 24 11.443 5.785 3.893
199 HG3 LYS 24 HG3 LYS 24 11.477 4.029 3.745
200 HD2 LYS 24 HD2 LYS 24 13.047 4.822 2.179
201 HD3 LYS 24 HD3 LYS 24 11.620 4.394 1.233
202 HE2 LYS 24 HE2 LYS 24 12.447 6.499 0.439
203 HE3 LYS 24 HE3 LYS 24 10.937 6.786 1.307
204 HZ1 LYS 24 HZ1 LYS 24 12.630 8.412 1.896
205 HZ2 LYS 24 HZ2 LYS 24 13.666 7.175 2.415
206 HZ3 LYS 24 HZ3 LYS 24 12.214 7.468 3.241
207 H VAL 25 H VAL 25 7.241 4.665 0.989
208 HA VAL 25 HA VAL 25 5.132 4.107 2.778
209 HB VAL 25 HB VAL 25 4.979 4.522 -0.217
210 HG11 VAL 25 HG11 VAL 25 2.950 3.505 0.678
211 HG12 VAL 25 HG12 VAL 25 2.656 5.175 0.190
212 HG13 VAL 25 HG13 VAL 25 2.843 4.775 1.899
213 HG21 VAL 25 HG21 VAL 25 4.474 6.853 0.334
214 HG22 VAL 25 HG22 VAL 25 6.071 6.384 0.919
215 HG23 VAL 25 HG23 VAL 25 4.718 6.499 2.045
216 H ARG 26 H ARG 26 6.313 2.426 -0.100
217 HA ARG 26 HA ARG 26 4.483 0.312 -0.170
218 HB2 ARG 26 HB2 ARG 26 6.543 1.096 -1.717
219 HB3 ARG 26 HB3 ARG 26 7.312 -0.244 -0.886
220 HG2 ARG 26 HG2 ARG 26 4.682 -0.558 -2.289
221 HG3 ARG 26 HG3 ARG 26 6.213 -0.695 -3.143
222 HD2 ARG 26 HD2 ARG 26 6.830 -2.438 -1.380
223 HD3 ARG 26 HD3 ARG 26 5.118 -2.436 -0.957
224 HE ARG 26 HE ARG 26 5.293 -2.760 -3.717
225 HH11 ARG 26 HH11 ARG 26 6.060 -4.578 -0.802
226 HH12 ARG 26 HH12 ARG 26 6.019 -6.119 -1.625
227 HH21 ARG 26 HH21 ARG 26 5.220 -4.767 -4.757
228 HH22 ARG 26 HH22 ARG 26 5.575 -6.226 -3.872
229 H LYS 27 H LYS 27 7.591 0.622 1.500
230 HA LYS 27 HA LYS 27 7.654 -1.947 2.645
231 HB2 LYS 27 HB2 LYS 27 9.628 -0.530 2.523
232 HB3 LYS 27 HB3 LYS 27 8.879 0.649 3.590
233 HG2 LYS 27 HG2 LYS 27 8.859 -1.033 5.391
234 HG3 LYS 27 HG3 LYS 27 9.697 -2.155 4.317
235 HD2 LYS 27 HD2 LYS 27 11.579 -0.638 4.150
236 HD3 LYS 27 HD3 LYS 27 10.733 0.559 5.131
237 HE2 LYS 27 HE2 LYS 27 10.718 -1.044 7.005
238 HE3 LYS 27 HE3 LYS 27 11.637 -2.177 6.017
239 HZ1 LYS 27 HZ1 LYS 27 13.448 -0.631 5.914
240 HZ2 LYS 27 HZ2 LYS 27 13.031 -0.873 7.541
241 HZ3 LYS 27 HZ3 LYS 27 12.558 0.546 6.749
242 H ASN 28 H ASN 28 6.241 1.097 3.745
243 HA ASN 28 HA ASN 28 5.521 0.232 6.331
244 HB2 ASN 28 HB2 ASN 28 4.731 2.485 4.560
245 HB3 ASN 28 HB3 ASN 28 3.634 2.082 5.876
246 HD21 ASN 28 HD21 ASN 28 6.805 3.253 5.040
247 HD22 ASN 28 HD22 ASN 28 7.212 3.846 6.619
248 H THR 29 H THR 29 3.743 0.198 3.250
249 HA THR 29 HA THR 29 1.418 -1.014 4.344
250 HB THR 29 HB THR 29 1.054 -1.724 1.895
251 HG1 THR 29 HG1 THR 29 3.432 -1.254 1.490
252 HG21 THR 29 HG21 THR 29 1.298 1.195 2.608
253 HG22 THR 29 HG22 THR 29 -0.083 0.157 2.955
254 HG23 THR 29 HG23 THR 29 0.338 0.534 1.284
255 H ASP 30 H ASP 30 4.410 -2.261 3.010
256 HA ASP 30 HA ASP 30 3.815 -4.946 2.703
257 HB2 ASP 30 HB2 ASP 30 6.226 -3.353 3.191
258 HB3 ASP 30 HB3 ASP 30 6.336 -4.983 3.841
259 H ASN 31 H ASN 31 4.754 -3.176 5.597
260 HA ASN 31 HA ASN 31 4.683 -5.408 7.351
261 HB2 ASN 31 HB2 ASN 31 4.522 -2.436 7.915
262 HB3 ASN 31 HB3 ASN 31 4.707 -3.675 9.153
263 HD21 ASN 31 HD21 ASN 31 6.461 -1.444 8.380
264 HD22 ASN 31 HD22 ASN 31 7.986 -2.175 8.020
265 H TYR 32 H TYR 32 2.316 -2.986 6.354
266 HA TYR 32 HA TYR 32 0.482 -3.607 8.463
267 HB2 TYR 32 HB2 TYR 32 0.518 -1.377 7.432
268 HB3 TYR 32 HB3 TYR 32 0.010 -2.074 5.895
269 HD1 TYR 32 HD1 TYR 32 -1.055 -1.766 9.451
270 HD2 TYR 32 HD2 TYR 32 -2.267 -2.232 5.401
271 HE1 TYR 32 HE1 TYR 32 -3.405 -1.533 10.133
272 HE2 TYR 32 HE2 TYR 32 -4.620 -1.996 6.073
273 HH TYR 32 HH TYR 32 -5.982 -2.342 8.138
274 H ALA 33 H ALA 33 0.672 -4.410 5.020
275 HA ALA 33 HA ALA 33 -1.831 -5.662 4.802
276 HB1 ALA 33 HB1 ALA 33 -0.957 -6.669 2.758
277 HB2 ALA 33 HB2 ALA 33 0.683 -6.217 3.223
278 HB3 ALA 33 HB3 ALA 33 -0.509 -4.967 2.865
279 H ARG 34 H ARG 34 1.342 -6.952 5.671
280 HA ARG 34 HA ARG 34 0.413 -9.651 5.820
281 HB2 ARG 34 HB2 ARG 34 2.814 -8.879 5.442
282 HB3 ARG 34 HB3 ARG 34 2.874 -8.546 7.169
283 HG2 ARG 34 HG2 ARG 34 2.385 -10.884 7.649
284 HG3 ARG 34 HG3 ARG 34 2.296 -11.222 5.919
285 HD2 ARG 34 HD2 ARG 34 4.656 -10.452 5.719
286 HD3 ARG 34 HD3 ARG 34 4.710 -10.320 7.477
287 HE ARG 34 HE ARG 34 3.843 -12.904 6.617
288 HH11 ARG 34 HH11 ARG 34 6.685 -10.910 7.094
289 HH12 ARG 34 HH12 ARG 34 7.751 -12.264 7.341
290 HH21 ARG 34 HH21 ARG 34 5.240 -14.681 6.904
291 HH22 ARG 34 HH22 ARG 34 6.923 -14.409 7.228
292 H GLU 35 H GLU 35 0.435 -6.946 7.951
293 HA GLU 35 HA GLU 35 0.198 -8.416 10.394
294 HB2 GLU 35 HB2 GLU 35 1.142 -6.155 10.336
295 HB3 GLU 35 HB3 GLU 35 -0.394 -5.516 9.771
296 HG2 GLU 35 HG2 GLU 35 -1.448 -6.024 11.846
297 HG3 GLU 35 HG3 GLU 35 -0.030 -6.911 12.406
298 H ILE 36 H ILE 36 -2.044 -6.970 8.095
299 HA ILE 36 HA ILE 36 -4.331 -7.681 9.749
300 HB ILE 36 HB ILE 36 -5.714 -6.760 7.933
301 HG12 ILE 36 HG12 ILE 36 -3.075 -6.112 6.600
302 HG13 ILE 36 HG13 ILE 36 -4.205 -7.347 6.056
303 HG21 ILE 36 HG21 ILE 36 -3.463 -4.966 8.824
304 HG22 ILE 36 HG22 ILE 36 -4.938 -5.316 9.724
305 HG23 ILE 36 HG23 ILE 36 -5.023 -4.426 8.204
306 HD11 ILE 36 HD11 ILE 36 -4.395 -5.322 4.734
307 HD12 ILE 36 HD12 ILE 36 -4.757 -4.392 6.189
308 HD13 ILE 36 HD13 ILE 36 -5.880 -5.632 5.630
309 H GLY 37 H GLY 37 -2.332 -9.299 7.706
310 HA2 GLY 37 HA2 GLY 37 -2.456 -11.489 6.998
311 HA3 GLY 37 HA3 GLY 37 -4.097 -11.557 7.618
312 H GLU 38 H GLU 38 -2.818 -9.306 5.214
313 HA GLU 38 HA GLU 38 -4.523 -10.591 3.188
314 HB2 GLU 38 HB2 GLU 38 -5.581 -8.536 4.050
315 HB3 GLU 38 HB3 GLU 38 -4.135 -7.625 3.639
316 HG2 GLU 38 HG2 GLU 38 -5.821 -7.260 1.975
317 HG3 GLU 38 HG3 GLU 38 -4.489 -8.178 1.274
318 HA PRO 39 HA PRO 39 -0.489 -10.420 1.177
319 HB2 PRO 39 HB2 PRO 39 -1.575 -12.228 -0.791
320 HB3 PRO 39 HB3 PRO 39 -0.370 -12.555 0.454
321 HG2 PRO 39 HG2 PRO 39 -2.898 -13.618 0.445
322 HG3 PRO 39 HG3 PRO 39 -1.919 -13.394 1.905
323 HD2 PRO 39 HD2 PRO 39 -4.156 -11.721 0.842
324 HD3 PRO 39 HD3 PRO 39 -3.765 -12.147 2.523
325 H VAL 40 H VAL 40 -3.600 -9.608 0.011
326 HA VAL 40 HA VAL 40 -2.468 -8.536 -2.485
327 HB VAL 40 HB VAL 40 -5.357 -9.161 -1.846
328 HG11 VAL 40 HG11 VAL 40 -5.745 -8.738 -4.234
329 HG12 VAL 40 HG12 VAL 40 -4.064 -8.230 -4.408
330 HG13 VAL 40 HG13 VAL 40 -5.167 -7.301 -3.392
331 HG21 VAL 40 HG21 VAL 40 -5.101 -10.976 -3.477
332 HG22 VAL 40 HG22 VAL 40 -4.023 -11.182 -2.096
333 HG23 VAL 40 HG23 VAL 40 -3.387 -10.590 -3.631
334 H VAL 41 H VAL 41 -2.003 -6.449 -2.329
335 HA VAL 41 HA VAL 41 -3.385 -4.747 -0.440
336 HB VAL 41 HB VAL 41 -1.231 -4.025 -2.442
337 HG11 VAL 41 HG11 VAL 41 -0.939 -2.015 -1.073
338 HG12 VAL 41 HG12 VAL 41 -2.297 -2.509 -0.061
339 HG13 VAL 41 HG13 VAL 41 -2.564 -2.099 -1.756
340 HG21 VAL 41 HG21 VAL 41 0.286 -4.076 -0.513
341 HG22 VAL 41 HG22 VAL 41 -0.430 -5.658 -0.823
342 HG23 VAL 41 HG23 VAL 41 -1.033 -4.661 0.502
343 H THR 42 H THR 42 -5.410 -4.298 -1.061
344 HA THR 42 HA THR 42 -5.979 -3.524 -3.812
345 HB THR 42 HB THR 42 -8.331 -3.474 -3.095
346 HG1 THR 42 HG1 THR 42 -8.443 -4.519 -0.774
347 HG21 THR 42 HG21 THR 42 -6.859 -5.959 -2.210
348 HG22 THR 42 HG22 THR 42 -7.409 -5.598 -3.846
349 HG23 THR 42 HG23 THR 42 -8.585 -5.865 -2.559
350 H ALA 43 H ALA 43 -7.602 -1.583 -3.967
351 HA ALA 43 HA ALA 43 -6.444 0.787 -3.030
352 HB1 ALA 43 HB1 ALA 43 -8.543 1.875 -3.685
353 HB2 ALA 43 HB2 ALA 43 -9.317 0.294 -3.824
354 HB3 ALA 43 HB3 ALA 43 -7.998 0.729 -4.912
355 H ASP 44 H ASP 44 -8.840 -1.340 -1.631
356 HA ASP 44 HA ASP 44 -9.659 0.412 0.457
357 HB2 ASP 44 HB2 ASP 44 -11.072 -1.447 -0.311
358 HB3 ASP 44 HB3 ASP 44 -9.866 -2.600 0.253
359 H VAL 45 H VAL 45 -7.331 -2.261 0.244
360 HA VAL 45 HA VAL 45 -6.490 -2.211 2.927
361 HB VAL 45 HB VAL 45 -4.921 -2.989 0.460
362 HG11 VAL 45 HG11 VAL 45 -3.517 -4.297 2.031
363 HG12 VAL 45 HG12 VAL 45 -4.353 -3.519 3.375
364 HG13 VAL 45 HG13 VAL 45 -3.382 -2.555 2.263
365 HG21 VAL 45 HG21 VAL 45 -6.454 -4.678 2.433
366 HG22 VAL 45 HG22 VAL 45 -5.526 -5.273 1.054
367 HG23 VAL 45 HG23 VAL 45 -6.967 -4.289 0.790
368 H PHE 46 H PHE 46 -5.462 -0.367 0.097
369 HA PHE 46 HA PHE 46 -3.269 0.958 1.270
370 HB2 PHE 46 HB2 PHE 46 -3.870 0.866 -1.195
371 HB3 PHE 46 HB3 PHE 46 -5.082 2.097 -0.866
372 HD1 PHE 46 HD1 PHE 46 -1.474 1.383 -0.907
373 HD2 PHE 46 HD2 PHE 46 -4.484 4.375 -0.612
374 HE1 PHE 46 HE1 PHE 46 0.232 3.123 -1.230
375 HE2 PHE 46 HE2 PHE 46 -2.784 6.123 -0.932
376 HZ PHE 46 HZ PHE 46 -0.422 5.498 -1.243
377 H ARG 47 H ARG 47 -6.719 1.687 1.179
378 HA ARG 47 HA ARG 47 -6.616 4.196 2.469
379 HB2 ARG 47 HB2 ARG 47 -8.808 2.107 2.477
380 HB3 ARG 47 HB3 ARG 47 -8.996 3.763 3.035
381 HG2 ARG 47 HG2 ARG 47 -8.595 4.606 0.819
382 HG3 ARG 47 HG3 ARG 47 -8.246 2.980 0.227
383 HD2 ARG 47 HD2 ARG 47 -10.542 2.305 0.811
384 HD3 ARG 47 HD3 ARG 47 -10.877 3.954 1.334
385 HE ARG 47 HE ARG 47 -10.000 4.230 -1.234
386 HH11 ARG 47 HH11 ARG 47 -12.568 2.404 0.312
387 HH12 ARG 47 HH12 ARG 47 -13.605 2.458 -1.088
388 HH21 ARG 47 HH21 ARG 47 -11.377 4.305 -3.048
389 HH22 ARG 47 HH22 ARG 47 -12.929 3.526 -2.987
390 H LYS 48 H LYS 48 -7.042 0.905 3.698
391 HA LYS 48 HA LYS 48 -7.273 1.486 6.420
392 HB2 LYS 48 HB2 LYS 48 -6.064 -0.917 5.041
393 HB3 LYS 48 HB3 LYS 48 -6.389 -0.838 6.764
394 HG2 LYS 48 HG2 LYS 48 -8.771 -0.587 6.311
395 HG3 LYS 48 HG3 LYS 48 -8.449 -0.657 4.576
396 HD2 LYS 48 HD2 LYS 48 -7.517 -2.902 4.834
397 HD3 LYS 48 HD3 LYS 48 -7.813 -2.834 6.571
398 HE2 LYS 48 HE2 LYS 48 -9.926 -2.692 4.424
399 HE3 LYS 48 HE3 LYS 48 -9.526 -4.126 5.367
400 HZ1 LYS 48 HZ1 LYS 48 -10.163 -2.896 7.379
401 HZ2 LYS 48 HZ2 LYS 48 -11.449 -3.048 6.281
402 HZ3 LYS 48 HZ3 LYS 48 -10.623 -1.575 6.421
403 H ALA 49 H ALA 49 -4.421 0.963 4.411
404 HA ALA 49 HA ALA 49 -2.477 0.920 6.407
405 HB1 ALA 49 HB1 ALA 49 -2.187 2.011 3.613
406 HB2 ALA 49 HB2 ALA 49 -2.084 0.307 4.058
407 HB3 ALA 49 HB3 ALA 49 -0.887 1.450 4.666
408 H LYS 50 H LYS 50 -3.607 3.703 4.467
409 HA LYS 50 HA LYS 50 -2.008 5.596 5.822
410 HB2 LYS 50 HB2 LYS 50 -4.465 5.851 4.116
411 HB3 LYS 50 HB3 LYS 50 -3.764 7.253 4.908
412 HG2 LYS 50 HG2 LYS 50 -1.578 6.580 3.773
413 HG3 LYS 50 HG3 LYS 50 -2.577 5.526 2.768
414 HD2 LYS 50 HD2 LYS 50 -3.852 7.391 1.966
415 HD3 LYS 50 HD3 LYS 50 -3.074 8.481 3.113
416 HE2 LYS 50 HE2 LYS 50 -0.897 7.949 1.968
417 HE3 LYS 50 HE3 LYS 50 -1.837 7.127 0.723
418 HZ1 LYS 50 HZ1 LYS 50 -2.954 9.182 0.209
419 HZ2 LYS 50 HZ2 LYS 50 -1.279 9.452 0.162
420 HZ3 LYS 50 HZ3 LYS 50 -2.184 9.977 1.493
421 H GLU 51 H GLU 51 -5.127 4.219 6.551
422 HA GLU 51 HA GLU 51 -5.878 6.180 8.478
423 HB2 GLU 51 HB2 GLU 51 -7.553 4.753 7.439
424 HB3 GLU 51 HB3 GLU 51 -6.790 3.320 8.111
425 HG2 GLU 51 HG2 GLU 51 -7.346 4.055 10.358
426 HG3 GLU 51 HG3 GLU 51 -8.067 5.528 9.712
427 H HIS 52 H HIS 52 -4.472 2.931 8.744
428 HA HIS 52 HA HIS 52 -4.269 3.011 11.581
429 HB2 HIS 52 HB2 HIS 52 -4.446 0.897 10.401
430 HB3 HIS 52 HB3 HIS 52 -2.944 1.213 9.542
431 HD1 HIS 52 HD1 HIS 52 -4.296 0.028 12.813
432 HD2 HIS 52 HD2 HIS 52 -0.598 0.771 11.052
433 HE1 HIS 52 HE1 HIS 52 -2.596 -1.042 14.321
434 HE2 HIS 52 HE2 HIS 52 -0.393 -0.759 13.129
435 H LEU 53 H LEU 53 -1.868 3.411 8.976
436 HA LEU 53 HA LEU 53 0.286 3.756 10.839
437 HB2 LEU 53 HB2 LEU 53 0.177 4.293 7.869
438 HB3 LEU 53 HB3 LEU 53 1.635 4.239 8.842
439 HG LEU 53 HG LEU 53 -0.221 1.894 8.426
440 HD11 LEU 53 HD11 LEU 53 1.494 1.021 6.938
441 HD12 LEU 53 HD12 LEU 53 2.437 2.496 7.139
442 HD13 LEU 53 HD13 LEU 53 0.868 2.557 6.340
443 HD21 LEU 53 HD21 LEU 53 2.532 2.088 9.643
444 HD22 LEU 53 HD22 LEU 53 1.624 0.598 9.376
445 HD23 LEU 53 HD23 LEU 53 1.027 1.805 10.517
446 H GLY 54 H GLY 54 -1.850 5.872 9.059
447 HA2 GLY 54 HA2 GLY 54 -2.273 8.121 9.377
448 HA3 GLY 54 HA3 GLY 54 -1.069 8.125 10.658
449 H GLY 55 H GLY 55 0.979 8.771 10.240
450 HA2 GLY 55 HA2 GLY 55 2.844 9.366 9.004
451 HA3 GLY 55 HA3 GLY 55 1.972 8.943 7.537
452 H LEU 56 H LEU 56 -0.085 10.534 7.352
453 HA LEU 56 HA LEU 56 1.171 13.176 7.148
454 HB2 LEU 56 HB2 LEU 56 -0.303 11.626 5.347
455 HB3 LEU 56 HB3 LEU 56 -1.403 12.898 5.840
456 HG LEU 56 HG LEU 56 -0.205 13.512 3.805
457 HD11 LEU 56 HD11 LEU 56 0.629 15.128 6.207
458 HD12 LEU 56 HD12 LEU 56 -0.857 15.315 5.276
459 HD13 LEU 56 HD13 LEU 56 0.701 15.679 4.534
460 HD21 LEU 56 HD21 LEU 56 1.820 12.203 4.167
461 HD22 LEU 56 HD22 LEU 56 2.288 13.276 5.487
462 HD23 LEU 56 HD23 LEU 56 2.208 13.891 3.836
463 H GLU 57 H GLU 57 0.488 14.840 8.315
464 HA GLU 57 HA GLU 57 -1.588 14.568 10.253
465 HB2 GLU 57 HB2 GLU 57 -1.160 16.945 10.743
466 HB3 GLU 57 HB3 GLU 57 0.327 16.007 10.700
467 HG2 GLU 57 HG2 GLU 57 0.994 16.933 8.666
468 HG3 GLU 57 HG3 GLU 57 -0.629 17.517 8.299
469 H HIS 58 H HIS 58 -3.333 16.362 10.388
470 HA HIS 58 HA HIS 58 -5.314 17.153 9.568
471 HB2 HIS 58 HB2 HIS 58 -3.679 17.479 7.038
472 HB3 HIS 58 HB3 HIS 58 -5.337 18.045 7.209
473 HD1 HIS 58 HD1 HIS 58 -1.886 19.059 7.754
474 HD2 HIS 58 HD2 HIS 58 -5.610 20.089 9.277
475 HE1 HIS 58 HE1 HIS 58 -1.562 21.284 8.876
476 HE2 HIS 58 HE2 HIS 58 -3.884 21.987 9.570
477 H HIS 59 H HIS 59 -4.815 14.455 9.700
478 HA HIS 59 HA HIS 59 -5.218 12.956 7.376
479 HB2 HIS 59 HB2 HIS 59 -4.278 12.195 9.593
480 HB3 HIS 59 HB3 HIS 59 -5.930 12.133 10.193
481 HD1 HIS 59 HD1 HIS 59 -7.362 10.144 9.516
482 HD2 HIS 59 HD2 HIS 59 -3.610 10.198 7.717
483 HE1 HIS 59 HE1 HIS 59 -7.078 7.876 8.463
484 HE2 HIS 59 HE2 HIS 59 -4.695 7.856 7.645
485 H HIS 60 H HIS 60 -7.483 14.445 9.577
486 HA HIS 60 HA HIS 60 -9.723 12.892 8.710
487 HB2 HIS 60 HB2 HIS 60 -11.087 14.332 10.083
488 HB3 HIS 60 HB3 HIS 60 -9.616 13.940 10.961
489 HD1 HIS 60 HD1 HIS 60 -11.744 16.692 10.190
490 HD2 HIS 60 HD2 HIS 60 -7.638 16.219 10.670
491 HE1 HIS 60 HE1 HIS 60 -10.839 19.001 10.620
492 HE2 HIS 60 HE2 HIS 60 -8.338 18.714 10.647
493 H HIS 61 H HIS 61 -10.214 12.987 6.627
494 HA HIS 61 HA HIS 61 -11.236 15.529 5.606
495 HB2 HIS 61 HB2 HIS 61 -9.170 13.822 4.219
496 HB3 HIS 61 HB3 HIS 61 -10.266 14.845 3.301
497 HD1 HIS 61 HD1 HIS 61 -7.019 15.055 3.758
498 HD2 HIS 61 HD2 HIS 61 -10.022 17.532 5.234
499 HE1 HIS 61 HE1 HIS 61 -5.909 17.259 4.235
500 HE2 HIS 61 HE2 HIS 61 -7.701 18.684 5.288
501 H HIS 62 H HIS 62 -12.994 15.276 4.203
502 HA HIS 62 HA HIS 62 -13.792 12.505 3.620
503 HB2 HIS 62 HB2 HIS 62 -15.022 13.575 5.637
504 HB3 HIS 62 HB3 HIS 62 -15.849 14.547 4.423
505 HD1 HIS 62 HD1 HIS 62 -15.675 11.133 5.853
506 HD2 HIS 62 HD2 HIS 62 -17.622 13.087 2.737
507 HE1 HIS 62 HE1 HIS 62 -17.473 9.552 5.074
508 HE2 HIS 62 HE2 HIS 62 -18.562 10.700 3.113
509 H HIS 63 H HIS 63 -13.580 15.797 2.720
510 HA HIS 63 HA HIS 63 -14.581 15.099 0.042
511 HB2 HIS 63 HB2 HIS 63 -14.867 17.733 1.509
512 HB3 HIS 63 HB3 HIS 63 -15.166 17.537 -0.214
513 HD1 HIS 63 HD1 HIS 63 -16.979 17.791 2.774
514 HD2 HIS 63 HD2 HIS 63 -17.215 15.247 -0.515
515 HE1 HIS 63 HE1 HIS 63 -19.308 16.842 2.805
516 HE2 HIS 63 HE2 HIS 63 -19.474 15.420 0.732
Start of MODEL 14
1 H1 MET 1 H1 MET 1 8.170 -8.243 4.209
2 H2 MET 1 H2 MET 1 8.280 -8.816 2.620
3 H3 MET 1 H3 MET 1 7.202 -7.558 2.998
4 HA MET 1 HA MET 1 8.993 -6.090 3.509
5 HB2 MET 1 HB2 MET 1 10.713 -8.479 2.827
6 HB3 MET 1 HB3 MET 1 11.330 -6.838 2.942
7 HG2 MET 1 HG2 MET 1 11.798 -7.987 4.984
8 HG3 MET 1 HG3 MET 1 10.575 -6.757 5.292
9 HE1 MET 1 HE1 MET 1 11.191 -9.068 7.364
10 HE2 MET 1 HE2 MET 1 9.557 -9.555 7.816
11 HE3 MET 1 HE3 MET 1 9.941 -7.846 7.605
12 H GLY 2 H GLY 2 9.410 -4.664 1.919
13 HA2 GLY 2 HA2 GLY 2 9.912 -3.917 -0.231
14 HA3 GLY 2 HA3 GLY 2 9.800 -5.574 -0.809
15 H GLU 3 H GLU 3 7.622 -6.503 -0.999
16 HA GLU 3 HA GLU 3 5.376 -4.739 -1.089
17 HB2 GLU 3 HB2 GLU 3 4.994 -4.723 -3.468
18 HB3 GLU 3 HB3 GLU 3 6.590 -4.063 -3.143
19 HG2 GLU 3 HG2 GLU 3 6.043 -6.875 -4.084
20 HG3 GLU 3 HG3 GLU 3 6.513 -5.531 -5.120
21 H LEU 4 H LEU 4 3.681 -5.981 -2.693
22 HA LEU 4 HA LEU 4 3.678 -8.836 -2.180
23 HB2 LEU 4 HB2 LEU 4 1.757 -6.867 -0.964
24 HB3 LEU 4 HB3 LEU 4 1.256 -8.513 -1.296
25 HG LEU 4 HG LEU 4 3.607 -7.811 0.459
26 HD11 LEU 4 HD11 LEU 4 0.778 -8.505 1.233
27 HD12 LEU 4 HD12 LEU 4 1.558 -6.936 1.438
28 HD13 LEU 4 HD13 LEU 4 2.139 -8.335 2.344
29 HD21 LEU 4 HD21 LEU 4 3.640 -10.042 -0.567
30 HD22 LEU 4 HD22 LEU 4 2.042 -10.364 0.104
31 HD23 LEU 4 HD23 LEU 4 3.420 -10.123 1.181
32 H SER 5 H SER 5 0.900 -9.154 -2.819
33 HA SER 5 HA SER 5 0.946 -8.669 -5.645
34 HB2 SER 5 HB2 SER 5 -1.339 -9.610 -3.885
35 HB3 SER 5 HB3 SER 5 -1.282 -9.708 -5.646
36 HG SER 5 HG SER 5 0.921 -10.843 -4.671
37 H TRP 6 H TRP 6 0.820 -6.579 -6.256
38 HA TRP 6 HA TRP 6 -1.028 -4.790 -4.858
39 HB2 TRP 6 HB2 TRP 6 1.251 -4.320 -6.768
40 HB3 TRP 6 HB3 TRP 6 0.088 -3.050 -6.408
41 HD1 TRP 6 HD1 TRP 6 2.677 -5.270 -4.570
42 HE1 TRP 6 HE1 TRP 6 3.513 -3.973 -2.509
43 HE3 TRP 6 HE3 TRP 6 -0.363 -1.188 -4.890
44 HZ2 TRP 6 HZ2 TRP 6 2.951 -1.536 -1.190
45 HZ3 TRP 6 HZ3 TRP 6 -0.157 0.580 -3.199
46 HH2 TRP 6 HH2 TRP 6 1.468 0.408 -1.388
47 H THR 7 H THR 7 -2.871 -4.031 -5.741
48 HA THR 7 HA THR 7 -3.633 -5.145 -8.325
49 HB THR 7 HB THR 7 -5.908 -4.388 -7.767
50 HG1 THR 7 HG1 THR 7 -6.277 -3.082 -6.141
51 HG21 THR 7 HG21 THR 7 -4.572 -5.912 -5.528
52 HG22 THR 7 HG22 THR 7 -5.159 -6.603 -7.040
53 HG23 THR 7 HG23 THR 7 -6.298 -5.905 -5.890
54 H ALA 8 H ALA 8 -5.244 -3.573 -9.542
55 HA ALA 8 HA ALA 8 -3.679 -1.528 -10.649
56 HB1 ALA 8 HB1 ALA 8 -5.464 -2.647 -11.884
57 HB2 ALA 8 HB2 ALA 8 -5.685 -0.895 -11.887
58 HB3 ALA 8 HB3 ALA 8 -6.664 -1.905 -10.824
59 H GLU 9 H GLU 9 -6.378 -1.429 -8.371
60 HA GLU 9 HA GLU 9 -6.651 1.351 -8.228
61 HB2 GLU 9 HB2 GLU 9 -7.190 -0.567 -5.965
62 HB3 GLU 9 HB3 GLU 9 -7.927 1.004 -6.228
63 HG2 GLU 9 HG2 GLU 9 -9.562 -0.543 -6.840
64 HG3 GLU 9 HG3 GLU 9 -8.888 0.026 -8.368
65 H ALA 10 H ALA 10 -4.676 -0.897 -6.386
66 HA ALA 10 HA ALA 10 -3.737 0.979 -4.488
67 HB1 ALA 10 HB1 ALA 10 -2.496 -1.625 -5.363
68 HB2 ALA 10 HB2 ALA 10 -3.709 -1.432 -4.096
69 HB3 ALA 10 HB3 ALA 10 -2.105 -0.725 -3.896
70 H GLU 11 H GLU 11 -2.197 -0.396 -7.407
71 HA GLU 11 HA GLU 11 0.163 1.120 -7.202
72 HB2 GLU 11 HB2 GLU 11 -1.129 -0.502 -9.311
73 HB3 GLU 11 HB3 GLU 11 0.061 0.676 -9.848
74 HG2 GLU 11 HG2 GLU 11 0.571 -1.417 -7.746
75 HG3 GLU 11 HG3 GLU 11 0.989 -1.585 -9.450
76 H LYS 12 H LYS 12 -2.946 1.880 -8.667
77 HA LYS 12 HA LYS 12 -2.094 4.188 -10.063
78 HB2 LYS 12 HB2 LYS 12 -4.780 3.348 -8.989
79 HB3 LYS 12 HB3 LYS 12 -4.548 4.860 -9.854
80 HG2 LYS 12 HG2 LYS 12 -3.824 3.671 -11.824
81 HG3 LYS 12 HG3 LYS 12 -3.912 2.134 -10.962
82 HD2 LYS 12 HD2 LYS 12 -5.869 2.415 -12.363
83 HD3 LYS 12 HD3 LYS 12 -6.337 2.465 -10.661
84 HE2 LYS 12 HE2 LYS 12 -6.352 4.928 -10.769
85 HE3 LYS 12 HE3 LYS 12 -5.945 4.842 -12.482
86 HZ1 LYS 12 HZ1 LYS 12 -8.405 3.726 -11.243
87 HZ2 LYS 12 HZ2 LYS 12 -8.013 3.680 -12.892
88 HZ3 LYS 12 HZ3 LYS 12 -8.316 5.167 -12.133
89 H MET 13 H MET 13 -3.426 3.743 -6.800
90 HA MET 13 HA MET 13 -3.292 6.533 -6.184
91 HB2 MET 13 HB2 MET 13 -3.634 4.108 -4.412
92 HB3 MET 13 HB3 MET 13 -3.694 5.767 -3.826
93 HG2 MET 13 HG2 MET 13 -5.593 6.205 -5.330
94 HG3 MET 13 HG3 MET 13 -5.548 4.520 -5.844
95 HE1 MET 13 HE1 MET 13 -4.872 3.034 -3.095
96 HE2 MET 13 HE2 MET 13 -6.076 2.480 -4.259
97 HE3 MET 13 HE3 MET 13 -6.503 2.635 -2.554
98 H LEU 14 H LEU 14 -1.145 3.792 -5.805
99 HA LEU 14 HA LEU 14 0.755 5.174 -4.163
100 HB2 LEU 14 HB2 LEU 14 0.564 2.710 -4.233
101 HB3 LEU 14 HB3 LEU 14 1.122 2.727 -5.895
102 HG LEU 14 HG LEU 14 3.278 3.699 -5.118
103 HD11 LEU 14 HD11 LEU 14 2.499 4.734 -3.062
104 HD12 LEU 14 HD12 LEU 14 3.818 3.608 -2.740
105 HD13 LEU 14 HD13 LEU 14 2.155 3.145 -2.378
106 HD21 LEU 14 HD21 LEU 14 3.018 1.300 -5.505
107 HD22 LEU 14 HD22 LEU 14 2.515 1.084 -3.827
108 HD23 LEU 14 HD23 LEU 14 4.151 1.632 -4.195
109 H GLY 15 H GLY 15 -0.011 5.188 -7.487
110 HA2 GLY 15 HA2 GLY 15 2.537 6.021 -8.493
111 HA3 GLY 15 HA3 GLY 15 0.991 6.173 -9.317
112 H LYS 16 H LYS 16 -0.042 7.555 -6.843
113 HA LYS 16 HA LYS 16 0.514 10.239 -7.644
114 HB2 LYS 16 HB2 LYS 16 -0.838 9.281 -5.116
115 HB3 LYS 16 HB3 LYS 16 -0.960 10.883 -5.830
116 HG2 LYS 16 HG2 LYS 16 -2.097 9.919 -7.778
117 HG3 LYS 16 HG3 LYS 16 -2.001 8.323 -7.030
118 HD2 LYS 16 HD2 LYS 16 -3.292 9.222 -5.099
119 HD3 LYS 16 HD3 LYS 16 -3.489 10.733 -5.989
120 HE2 LYS 16 HE2 LYS 16 -4.474 8.009 -6.833
121 HE3 LYS 16 HE3 LYS 16 -5.462 9.341 -6.236
122 HZ1 LYS 16 HZ1 LYS 16 -3.919 9.264 -8.772
123 HZ2 LYS 16 HZ2 LYS 16 -4.690 10.649 -8.175
124 HZ3 LYS 16 HZ3 LYS 16 -5.606 9.283 -8.601
125 H VAL 17 H VAL 17 1.918 8.021 -5.477
126 HA VAL 17 HA VAL 17 3.245 10.034 -3.855
127 HB VAL 17 HB VAL 17 3.481 7.018 -3.843
128 HG11 VAL 17 HG11 VAL 17 4.588 7.278 -1.689
129 HG12 VAL 17 HG12 VAL 17 4.490 9.032 -1.838
130 HG13 VAL 17 HG13 VAL 17 5.488 8.105 -2.960
131 HG21 VAL 17 HG21 VAL 17 2.123 7.134 -1.800
132 HG22 VAL 17 HG22 VAL 17 1.257 7.751 -3.207
133 HG23 VAL 17 HG23 VAL 17 1.942 8.872 -2.030
134 HA PRO 18 HA PRO 18 6.682 10.177 -6.730
135 HB2 PRO 18 HB2 PRO 18 8.039 11.613 -4.546
136 HB3 PRO 18 HB3 PRO 18 7.649 12.164 -6.176
137 HG2 PRO 18 HG2 PRO 18 6.351 13.107 -4.025
138 HG3 PRO 18 HG3 PRO 18 5.531 12.865 -5.579
139 HD2 PRO 18 HD2 PRO 18 5.493 11.145 -3.125
140 HD3 PRO 18 HD3 PRO 18 4.156 11.593 -4.206
141 H PHE 19 H PHE 19 8.817 9.425 -6.860
142 HA PHE 19 HA PHE 19 9.009 6.878 -5.713
143 HB2 PHE 19 HB2 PHE 19 9.918 7.719 -7.949
144 HB3 PHE 19 HB3 PHE 19 11.298 8.319 -7.033
145 HD1 PHE 19 HD1 PHE 19 9.297 5.228 -7.479
146 HD2 PHE 19 HD2 PHE 19 13.131 6.939 -6.798
147 HE1 PHE 19 HE1 PHE 19 10.318 2.986 -7.611
148 HE2 PHE 19 HE2 PHE 19 14.160 4.705 -6.933
149 HZ PHE 19 HZ PHE 19 12.754 2.727 -7.340
150 H PHE 20 H PHE 20 10.393 9.926 -4.716
151 HA PHE 20 HA PHE 20 12.623 9.107 -3.289
152 HB2 PHE 20 HB2 PHE 20 10.702 11.344 -2.617
153 HB3 PHE 20 HB3 PHE 20 12.285 11.131 -1.881
154 HD1 PHE 20 HD2 PHE 20 14.308 11.111 -3.469
155 HD2 PHE 20 HD1 PHE 20 10.470 12.614 -4.512
156 HE1 PHE 20 HE2 PHE 20 15.330 12.445 -5.270
157 HE2 PHE 20 HE1 PHE 20 11.479 13.951 -6.319
158 HZ PHE 20 HZ PHE 20 13.913 13.868 -6.697
159 H VAL 21 H VAL 21 9.244 9.230 -2.246
160 HA VAL 21 HA VAL 21 10.054 7.858 0.233
161 HB VAL 21 HB VAL 21 8.100 8.798 1.321
162 HG11 VAL 21 HG11 VAL 21 9.639 10.934 -0.159
163 HG12 VAL 21 HG12 VAL 21 10.173 10.108 1.308
164 HG13 VAL 21 HG13 VAL 21 8.747 11.145 1.352
165 HG21 VAL 21 HG21 VAL 21 6.596 8.852 -0.616
166 HG22 VAL 21 HG22 VAL 21 7.531 10.182 -1.302
167 HG23 VAL 21 HG23 VAL 21 6.647 10.410 0.209
168 H ARG 22 H ARG 22 8.825 7.210 -2.676
169 HA ARG 22 HA ARG 22 6.404 5.876 -2.176
170 HB2 ARG 22 HB2 ARG 22 7.409 6.603 -4.425
171 HB3 ARG 22 HB3 ARG 22 8.314 5.095 -4.365
172 HG2 ARG 22 HG2 ARG 22 6.241 3.832 -4.275
173 HG3 ARG 22 HG3 ARG 22 5.314 5.331 -4.278
174 HD2 ARG 22 HD2 ARG 22 6.357 5.874 -6.488
175 HD3 ARG 22 HD3 ARG 22 7.067 4.257 -6.482
176 HE ARG 22 HE ARG 22 4.157 4.741 -6.397
177 HH11 ARG 22 HH11 ARG 22 6.943 3.055 -7.702
178 HH12 ARG 22 HH12 ARG 22 5.990 1.885 -8.570
179 HH21 ARG 22 HH21 ARG 22 2.910 3.182 -7.542
180 HH22 ARG 22 HH22 ARG 22 3.710 1.958 -8.471
181 H LYS 23 H LYS 23 9.749 4.790 -2.090
182 HA LYS 23 HA LYS 23 9.216 2.031 -1.719
183 HB2 LYS 23 HB2 LYS 23 11.615 3.664 -0.857
184 HB3 LYS 23 HB3 LYS 23 11.545 1.909 -0.903
185 HG2 LYS 23 HG2 LYS 23 11.252 1.962 -3.311
186 HG3 LYS 23 HG3 LYS 23 11.267 3.727 -3.285
187 HD2 LYS 23 HD2 LYS 23 13.449 2.924 -3.936
188 HD3 LYS 23 HD3 LYS 23 13.553 3.650 -2.333
189 HE2 LYS 23 HE2 LYS 23 14.827 1.613 -2.351
190 HE3 LYS 23 HE3 LYS 23 13.397 1.382 -1.344
191 HZ1 LYS 23 HZ1 LYS 23 13.647 0.500 -4.168
192 HZ2 LYS 23 HZ2 LYS 23 12.336 0.198 -3.133
193 HZ3 LYS 23 HZ3 LYS 23 13.844 -0.510 -2.820
194 H LYS 24 H LYS 24 9.510 4.767 0.443
195 HA LYS 24 HA LYS 24 9.533 3.348 2.886
196 HB2 LYS 24 HB2 LYS 24 10.169 5.754 2.573
197 HB3 LYS 24 HB3 LYS 24 8.465 6.133 2.370
198 HG2 LYS 24 HG2 LYS 24 9.100 6.657 4.611
199 HG3 LYS 24 HG3 LYS 24 8.052 5.239 4.647
200 HD2 LYS 24 HD2 LYS 24 9.924 4.928 6.155
201 HD3 LYS 24 HD3 LYS 24 10.032 3.795 4.807
202 HE2 LYS 24 HE2 LYS 24 11.670 5.233 3.717
203 HE3 LYS 24 HE3 LYS 24 11.545 6.395 5.036
204 HZ1 LYS 24 HZ1 LYS 24 12.338 4.644 6.549
205 HZ2 LYS 24 HZ2 LYS 24 13.475 5.034 5.356
206 HZ3 LYS 24 HZ3 LYS 24 12.568 3.612 5.223
207 H VAL 25 H VAL 25 6.939 4.767 0.938
208 HA VAL 25 HA VAL 25 4.816 4.132 2.677
209 HB VAL 25 HB VAL 25 4.726 4.453 -0.333
210 HG11 VAL 25 HG11 VAL 25 2.733 3.340 0.508
211 HG12 VAL 25 HG12 VAL 25 2.352 4.987 0.010
212 HG13 VAL 25 HG13 VAL 25 2.518 4.600 1.722
213 HG21 VAL 25 HG21 VAL 25 4.290 6.459 1.880
214 HG22 VAL 25 HG22 VAL 25 4.034 6.758 0.159
215 HG23 VAL 25 HG23 VAL 25 5.656 6.414 0.761
216 H ARG 26 H ARG 26 6.270 2.339 -0.024
217 HA ARG 26 HA ARG 26 4.433 0.218 -0.045
218 HB2 ARG 26 HB2 ARG 26 7.197 0.580 -1.069
219 HB3 ARG 26 HB3 ARG 26 6.605 -1.069 -0.907
220 HG2 ARG 26 HG2 ARG 26 4.574 -0.319 -2.224
221 HG3 ARG 26 HG3 ARG 26 5.481 1.150 -2.587
222 HD2 ARG 26 HD2 ARG 26 7.196 -0.106 -3.691
223 HD3 ARG 26 HD3 ARG 26 6.489 -1.633 -3.161
224 HE ARG 26 HE ARG 26 4.666 -0.079 -4.725
225 HH11 ARG 26 HH11 ARG 26 7.390 -2.273 -4.940
226 HH12 ARG 26 HH12 ARG 26 6.945 -2.874 -6.512
227 HH21 ARG 26 HH21 ARG 26 4.076 -0.847 -6.800
228 HH22 ARG 26 HH22 ARG 26 5.086 -2.036 -7.583
229 H LYS 27 H LYS 27 7.366 0.705 1.877
230 HA LYS 27 HA LYS 27 7.436 -1.840 3.063
231 HB2 LYS 27 HB2 LYS 27 9.301 -0.281 3.317
232 HB3 LYS 27 HB3 LYS 27 8.280 0.819 4.238
233 HG2 LYS 27 HG2 LYS 27 7.984 -1.026 5.921
234 HG3 LYS 27 HG3 LYS 27 9.232 -1.917 5.052
235 HD2 LYS 27 HD2 LYS 27 9.617 0.843 6.197
236 HD3 LYS 27 HD3 LYS 27 10.043 -0.641 7.045
237 HE2 LYS 27 HE2 LYS 27 11.587 -1.224 5.237
238 HE3 LYS 27 HE3 LYS 27 11.161 0.266 4.396
239 HZ1 LYS 27 HZ1 LYS 27 12.519 0.034 7.034
240 HZ2 LYS 27 HZ2 LYS 27 11.974 1.492 6.370
241 HZ3 LYS 27 HZ3 LYS 27 13.189 0.608 5.586
242 H ASN 28 H ASN 28 5.733 1.121 3.992
243 HA ASN 28 HA ASN 28 4.696 0.112 6.412
244 HB2 ASN 28 HB2 ASN 28 3.789 2.382 4.643
245 HB3 ASN 28 HB3 ASN 28 2.990 1.984 6.161
246 HD21 ASN 28 HD21 ASN 28 4.292 4.435 5.539
247 HD22 ASN 28 HD22 ASN 28 5.614 4.614 6.643
248 H THR 29 H THR 29 3.318 0.234 3.128
249 HA THR 29 HA THR 29 0.866 -0.970 3.870
250 HB THR 29 HB THR 29 0.788 -1.654 1.418
251 HG1 THR 29 HG1 THR 29 3.250 -1.221 1.366
252 HG21 THR 29 HG21 THR 29 1.075 1.265 2.116
253 HG22 THR 29 HG22 THR 29 -0.384 0.291 2.308
254 HG23 THR 29 HG23 THR 29 0.252 0.618 0.695
255 H ASP 30 H ASP 30 3.930 -2.293 2.697
256 HA ASP 30 HA ASP 30 3.163 -4.967 2.433
257 HB2 ASP 30 HB2 ASP 30 5.290 -4.313 1.575
258 HB3 ASP 30 HB3 ASP 30 5.808 -3.682 3.135
259 H ASN 31 H ASN 31 4.528 -3.228 5.206
260 HA ASN 31 HA ASN 31 4.351 -5.357 7.031
261 HB2 ASN 31 HB2 ASN 31 4.443 -2.370 7.384
262 HB3 ASN 31 HB3 ASN 31 4.284 -3.450 8.763
263 HD21 ASN 31 HD21 ASN 31 6.441 -1.628 8.078
264 HD22 ASN 31 HD22 ASN 31 7.874 -2.593 7.971
265 H TYR 32 H TYR 32 1.973 -2.984 5.942
266 HA TYR 32 HA TYR 32 0.190 -3.456 8.133
267 HB2 TYR 32 HB2 TYR 32 0.136 -1.332 6.921
268 HB3 TYR 32 HB3 TYR 32 -0.347 -2.175 5.447
269 HD1 TYR 32 HD1 TYR 32 -1.432 -1.914 9.011
270 HD2 TYR 32 HD2 TYR 32 -2.605 -2.155 4.931
271 HE1 TYR 32 HE1 TYR 32 -3.786 -1.732 9.684
272 HE2 TYR 32 HE2 TYR 32 -4.965 -1.971 5.595
273 HH TYR 32 HH TYR 32 -6.347 -2.414 7.600
274 H ALA 33 H ALA 33 0.292 -4.511 4.758
275 HA ALA 33 HA ALA 33 -2.127 -5.913 4.745
276 HB1 ALA 33 HB1 ALA 33 -1.283 -7.033 2.767
277 HB2 ALA 33 HB2 ALA 33 0.361 -6.523 3.153
278 HB3 ALA 33 HB3 ALA 33 -0.857 -5.323 2.722
279 H ARG 34 H ARG 34 1.173 -7.026 5.449
280 HA ARG 34 HA ARG 34 0.404 -9.715 5.984
281 HB2 ARG 34 HB2 ARG 34 2.867 -8.284 6.983
282 HB3 ARG 34 HB3 ARG 34 2.650 -10.021 6.783
283 HG2 ARG 34 HG2 ARG 34 2.437 -9.710 4.372
284 HG3 ARG 34 HG3 ARG 34 2.686 -7.978 4.585
285 HD2 ARG 34 HD2 ARG 34 4.896 -8.480 5.595
286 HD3 ARG 34 HD3 ARG 34 4.642 -10.183 5.207
287 HE ARG 34 HE ARG 34 4.864 -8.024 3.196
288 HH11 ARG 34 HH11 ARG 34 5.293 -11.360 4.185
289 HH12 ARG 34 HH12 ARG 34 6.112 -11.823 2.719
290 HH21 ARG 34 HH21 ARG 34 5.901 -8.616 1.273
291 HH22 ARG 34 HH22 ARG 34 6.446 -10.257 1.046
292 H GLU 35 H GLU 35 0.303 -6.807 7.779
293 HA GLU 35 HA GLU 35 0.433 -7.951 10.375
294 HB2 GLU 35 HB2 GLU 35 0.940 -5.555 9.844
295 HB3 GLU 35 HB3 GLU 35 -0.773 -5.304 9.550
296 HG2 GLU 35 HG2 GLU 35 -1.276 -5.816 11.861
297 HG3 GLU 35 HG3 GLU 35 0.426 -6.163 12.173
298 H ILE 36 H ILE 36 -2.127 -7.240 8.086
299 HA ILE 36 HA ILE 36 -4.129 -8.110 10.050
300 HB ILE 36 HB ILE 36 -5.824 -7.212 8.476
301 HG12 ILE 36 HG12 ILE 36 -3.412 -6.141 6.995
302 HG13 ILE 36 HG13 ILE 36 -4.496 -7.398 6.408
303 HG21 ILE 36 HG21 ILE 36 -3.694 -5.284 9.395
304 HG22 ILE 36 HG22 ILE 36 -5.065 -5.869 10.339
305 HG23 ILE 36 HG23 ILE 36 -5.336 -4.838 8.934
306 HD11 ILE 36 HD11 ILE 36 -6.341 -5.783 6.413
307 HD12 ILE 36 HD12 ILE 36 -5.010 -5.274 5.375
308 HD13 ILE 36 HD13 ILE 36 -5.225 -4.531 6.959
309 H GLY 37 H GLY 37 -2.428 -9.291 7.364
310 HA2 GLY 37 HA2 GLY 37 -2.523 -11.659 6.987
311 HA3 GLY 37 HA3 GLY 37 -4.233 -11.619 7.378
312 H GLU 38 H GLU 38 -3.025 -9.149 5.295
313 HA GLU 38 HA GLU 38 -4.541 -10.335 3.086
314 HB2 GLU 38 HB2 GLU 38 -3.457 -7.543 3.505
315 HB3 GLU 38 HB3 GLU 38 -4.321 -8.066 2.066
316 HG2 GLU 38 HG2 GLU 38 -5.426 -8.016 4.862
317 HG3 GLU 38 HG3 GLU 38 -5.763 -6.840 3.592
318 HA PRO 39 HA PRO 39 -0.553 -11.170 1.128
319 HB2 PRO 39 HB2 PRO 39 -2.029 -12.650 -0.861
320 HB3 PRO 39 HB3 PRO 39 -0.962 -13.275 0.396
321 HG2 PRO 39 HG2 PRO 39 -3.681 -13.674 0.344
322 HG3 PRO 39 HG3 PRO 39 -2.693 -13.725 1.813
323 HD2 PRO 39 HD2 PRO 39 -4.428 -11.526 0.769
324 HD3 PRO 39 HD3 PRO 39 -4.173 -12.069 2.442
325 H VAL 40 H VAL 40 -3.465 -9.795 -0.040
326 HA VAL 40 HA VAL 40 -2.101 -8.702 -2.405
327 HB VAL 40 HB VAL 40 -5.073 -9.125 -2.025
328 HG11 VAL 40 HG11 VAL 40 -3.483 -8.198 -4.411
329 HG12 VAL 40 HG12 VAL 40 -4.637 -7.249 -3.472
330 HG13 VAL 40 HG13 VAL 40 -5.196 -8.614 -4.443
331 HG21 VAL 40 HG21 VAL 40 -3.923 -11.256 -2.251
332 HG22 VAL 40 HG22 VAL 40 -3.104 -10.677 -3.702
333 HG23 VAL 40 HG23 VAL 40 -4.853 -10.900 -3.706
334 H VAL 41 H VAL 41 -1.837 -6.564 -2.457
335 HA VAL 41 HA VAL 41 -3.098 -4.935 -0.384
336 HB VAL 41 HB VAL 41 -0.969 -4.152 -2.397
337 HG11 VAL 41 HG11 VAL 41 -1.985 -2.727 0.063
338 HG12 VAL 41 HG12 VAL 41 -2.273 -2.248 -1.611
339 HG13 VAL 41 HG13 VAL 41 -0.639 -2.201 -0.947
340 HG21 VAL 41 HG21 VAL 41 0.588 -4.276 -0.499
341 HG22 VAL 41 HG22 VAL 41 -0.128 -5.846 -0.865
342 HG23 VAL 41 HG23 VAL 41 -0.709 -4.910 0.512
343 H THR 42 H THR 42 -5.128 -4.481 -0.987
344 HA THR 42 HA THR 42 -5.692 -3.624 -3.724
345 HB THR 42 HB THR 42 -8.089 -3.723 -2.920
346 HG1 THR 42 HG1 THR 42 -7.594 -5.356 -0.819
347 HG21 THR 42 HG21 THR 42 -8.184 -6.185 -2.926
348 HG22 THR 42 HG22 THR 42 -6.437 -6.242 -2.688
349 HG23 THR 42 HG23 THR 42 -7.102 -5.566 -4.173
350 H ALA 43 H ALA 43 -7.569 -1.850 -3.701
351 HA ALA 43 HA ALA 43 -6.572 0.579 -2.772
352 HB1 ALA 43 HB1 ALA 43 -9.446 -0.154 -3.334
353 HB2 ALA 43 HB2 ALA 43 -8.274 0.432 -4.515
354 HB3 ALA 43 HB3 ALA 43 -8.808 1.486 -3.206
355 H ASP 44 H ASP 44 -8.898 -1.640 -1.310
356 HA ASP 44 HA ASP 44 -9.655 -0.158 0.922
357 HB2 ASP 44 HB2 ASP 44 -10.654 -2.325 0.161
358 HB3 ASP 44 HB3 ASP 44 -9.234 -3.156 0.784
359 H VAL 45 H VAL 45 -7.032 -2.535 0.621
360 HA VAL 45 HA VAL 45 -6.041 -2.276 3.241
361 HB VAL 45 HB VAL 45 -4.546 -3.131 0.752
362 HG11 VAL 45 HG11 VAL 45 -3.971 -3.669 3.665
363 HG12 VAL 45 HG12 VAL 45 -3.055 -2.593 2.612
364 HG13 VAL 45 HG13 VAL 45 -3.075 -4.328 2.297
365 HG21 VAL 45 HG21 VAL 45 -5.120 -5.419 1.458
366 HG22 VAL 45 HG22 VAL 45 -6.554 -4.463 1.085
367 HG23 VAL 45 HG23 VAL 45 -6.104 -4.757 2.764
368 H PHE 46 H PHE 46 -5.050 -0.734 0.201
369 HA PHE 46 HA PHE 46 -2.870 0.705 1.273
370 HB2 PHE 46 HB2 PHE 46 -3.261 0.285 -1.161
371 HB3 PHE 46 HB3 PHE 46 -4.584 1.444 -1.115
372 HD1 PHE 46 HD1 PHE 46 -0.935 1.044 -0.810
373 HD2 PHE 46 HD2 PHE 46 -4.171 3.781 -1.187
374 HE1 PHE 46 HE1 PHE 46 0.658 2.859 -1.272
375 HE2 PHE 46 HE2 PHE 46 -2.582 5.602 -1.653
376 HZ PHE 46 HZ PHE 46 -0.163 5.141 -1.695
377 H ARG 47 H ARG 47 -6.306 1.386 1.062
378 HA ARG 47 HA ARG 47 -6.134 4.140 1.746
379 HB2 ARG 47 HB2 ARG 47 -8.095 2.808 0.674
380 HB3 ARG 47 HB3 ARG 47 -8.541 2.441 2.333
381 HG2 ARG 47 HG2 ARG 47 -8.755 4.801 2.831
382 HG3 ARG 47 HG3 ARG 47 -8.216 5.209 1.200
383 HD2 ARG 47 HD2 ARG 47 -10.203 3.733 0.438
384 HD3 ARG 47 HD3 ARG 47 -10.796 3.971 2.082
385 HE ARG 47 HE ARG 47 -10.077 6.450 0.937
386 HH11 ARG 47 HH11 ARG 47 -12.596 4.016 0.851
387 HH12 ARG 47 HH12 ARG 47 -13.790 5.100 0.214
388 HH21 ARG 47 HH21 ARG 47 -11.639 7.866 0.102
389 HH22 ARG 47 HH22 ARG 47 -13.242 7.279 -0.235
390 H LYS 48 H LYS 48 -6.871 1.211 3.631
391 HA LYS 48 HA LYS 48 -7.157 2.530 6.110
392 HB2 LYS 48 HB2 LYS 48 -6.388 -0.322 5.498
393 HB3 LYS 48 HB3 LYS 48 -6.696 0.276 7.118
394 HG2 LYS 48 HG2 LYS 48 -8.983 1.021 6.006
395 HG3 LYS 48 HG3 LYS 48 -8.587 -0.318 4.921
396 HD2 LYS 48 HD2 LYS 48 -8.238 -1.750 6.938
397 HD3 LYS 48 HD3 LYS 48 -8.832 -0.418 7.927
398 HE2 LYS 48 HE2 LYS 48 -10.740 -1.664 7.667
399 HE3 LYS 48 HE3 LYS 48 -10.890 -0.528 6.327
400 HZ1 LYS 48 HZ1 LYS 48 -11.380 -2.780 5.622
401 HZ2 LYS 48 HZ2 LYS 48 -9.857 -3.309 6.142
402 HZ3 LYS 48 HZ3 LYS 48 -9.980 -2.219 4.844
403 H ALA 49 H ALA 49 -4.369 1.288 4.397
404 HA ALA 49 HA ALA 49 -2.501 1.298 6.481
405 HB1 ALA 49 HB1 ALA 49 -1.998 1.844 3.559
406 HB2 ALA 49 HB2 ALA 49 -2.114 0.246 4.297
407 HB3 ALA 49 HB3 ALA 49 -0.801 1.335 4.748
408 H LYS 50 H LYS 50 -3.828 3.908 4.609
409 HA LYS 50 HA LYS 50 -1.824 5.831 5.245
410 HB2 LYS 50 HB2 LYS 50 -4.672 6.070 4.275
411 HB3 LYS 50 HB3 LYS 50 -3.668 7.475 4.588
412 HG2 LYS 50 HG2 LYS 50 -2.139 6.858 2.865
413 HG3 LYS 50 HG3 LYS 50 -2.936 5.296 2.646
414 HD2 LYS 50 HD2 LYS 50 -4.816 6.260 1.659
415 HD3 LYS 50 HD3 LYS 50 -4.459 7.857 2.317
416 HE2 LYS 50 HE2 LYS 50 -2.852 6.445 0.191
417 HE3 LYS 50 HE3 LYS 50 -4.043 7.710 -0.106
418 HZ1 LYS 50 HZ1 LYS 50 -2.083 8.883 -0.066
419 HZ2 LYS 50 HZ2 LYS 50 -1.388 7.923 1.149
420 HZ3 LYS 50 HZ3 LYS 50 -2.591 9.050 1.545
421 H GLU 51 H GLU 51 -4.914 4.917 6.661
422 HA GLU 51 HA GLU 51 -4.888 6.995 8.641
423 HB2 GLU 51 HB2 GLU 51 -6.991 6.065 7.839
424 HB3 GLU 51 HB3 GLU 51 -6.526 4.464 8.395
425 HG2 GLU 51 HG2 GLU 51 -6.552 5.286 10.712
426 HG3 GLU 51 HG3 GLU 51 -7.080 6.865 10.128
427 H HIS 52 H HIS 52 -4.165 3.560 8.550
428 HA HIS 52 HA HIS 52 -3.651 3.283 11.339
429 HB2 HIS 52 HB2 HIS 52 -4.374 1.448 9.815
430 HB3 HIS 52 HB3 HIS 52 -2.800 1.511 9.039
431 HD1 HIS 52 HD1 HIS 52 -4.532 0.326 12.126
432 HD2 HIS 52 HD2 HIS 52 -0.716 0.285 10.461
433 HE1 HIS 52 HE1 HIS 52 -3.223 -1.351 13.461
434 HE2 HIS 52 HE2 HIS 52 -1.047 -1.591 12.223
435 H LEU 53 H LEU 53 -1.752 4.259 8.606
436 HA LEU 53 HA LEU 53 0.639 4.444 10.304
437 HB2 LEU 53 HB2 LEU 53 0.631 3.357 7.490
438 HB3 LEU 53 HB3 LEU 53 2.032 3.560 8.520
439 HG LEU 53 HG LEU 53 -0.203 1.763 9.383
440 HD11 LEU 53 HD11 LEU 53 0.807 -0.089 8.234
441 HD12 LEU 53 HD12 LEU 53 2.083 0.950 7.598
442 HD13 LEU 53 HD13 LEU 53 0.416 1.168 7.055
443 HD21 LEU 53 HD21 LEU 53 1.598 2.346 10.964
444 HD22 LEU 53 HD22 LEU 53 2.782 1.697 9.829
445 HD23 LEU 53 HD23 LEU 53 1.589 0.628 10.565
446 H GLY 54 H GLY 54 -0.044 4.914 6.861
447 HA2 GLY 54 HA2 GLY 54 -0.288 7.051 5.804
448 HA3 GLY 54 HA3 GLY 54 0.592 7.772 7.147
449 H GLY 55 H GLY 55 1.923 8.778 5.554
450 HA2 GLY 55 HA2 GLY 55 4.331 7.301 5.103
451 HA3 GLY 55 HA3 GLY 55 3.442 7.553 3.605
452 H LEU 56 H LEU 56 2.618 9.894 3.394
453 HA LEU 56 HA LEU 56 4.467 11.858 4.508
454 HB2 LEU 56 HB2 LEU 56 5.152 10.903 2.135
455 HB3 LEU 56 HB3 LEU 56 3.895 11.982 1.568
456 HG LEU 56 HG LEU 56 6.304 12.855 3.173
457 HD11 LEU 56 HD11 LEU 56 7.112 13.798 1.069
458 HD12 LEU 56 HD12 LEU 56 5.738 13.091 0.222
459 HD13 LEU 56 HD13 LEU 56 6.945 12.045 0.967
460 HD21 LEU 56 HD21 LEU 56 4.225 14.466 1.697
461 HD22 LEU 56 HD22 LEU 56 5.642 15.108 2.527
462 HD23 LEU 56 HD23 LEU 56 4.361 14.319 3.450
463 H GLU 57 H GLU 57 2.837 12.807 5.653
464 HA GLU 57 HA GLU 57 0.258 13.263 4.397
465 HB2 GLU 57 HB2 GLU 57 1.294 13.635 7.201
466 HB3 GLU 57 HB3 GLU 57 -0.284 14.229 6.713
467 HG2 GLU 57 HG2 GLU 57 -0.523 12.114 7.806
468 HG3 GLU 57 HG3 GLU 57 -0.936 11.939 6.103
469 H HIS 58 H HIS 58 2.965 14.818 4.019
470 HA HIS 58 HA HIS 58 3.528 16.876 3.236
471 HB2 HIS 58 HB2 HIS 58 1.093 16.818 2.358
472 HB3 HIS 58 HB3 HIS 58 0.715 17.850 3.728
473 HD1 HIS 58 HD1 HIS 58 0.349 18.742 0.779
474 HD2 HIS 58 HD2 HIS 58 3.662 19.624 3.135
475 HE1 HIS 58 HE1 HIS 58 1.375 20.802 -0.235
476 HE2 HIS 58 HE2 HIS 58 3.486 21.199 1.088
477 H HIS 59 H HIS 59 4.536 18.532 4.211
478 HA HIS 59 HA HIS 59 5.190 20.050 5.774
479 HB2 HIS 59 HB2 HIS 59 2.697 20.637 5.740
480 HB3 HIS 59 HB3 HIS 59 2.543 19.636 7.176
481 HD1 HIS 59 HD1 HIS 59 2.903 20.803 9.352
482 HD2 HIS 59 HD2 HIS 59 4.528 22.889 6.144
483 HE1 HIS 59 HE1 HIS 59 3.678 23.005 10.293
484 HE2 HIS 59 HE2 HIS 59 4.406 24.336 8.281
485 H HIS 60 H HIS 60 5.850 17.334 5.978
486 HA HIS 60 HA HIS 60 5.556 16.569 8.766
487 HB2 HIS 60 HB2 HIS 60 6.517 14.464 8.171
488 HB3 HIS 60 HB3 HIS 60 5.401 14.891 6.886
489 HD1 HIS 60 HD1 HIS 60 6.627 15.921 4.657
490 HD2 HIS 60 HD2 HIS 60 9.021 13.817 7.329
491 HE1 HIS 60 HE1 HIS 60 8.669 15.262 3.362
492 HE2 HIS 60 HE2 HIS 60 10.183 14.159 5.037
493 H HIS 61 H HIS 61 7.428 15.966 10.067
494 HA HIS 61 HA HIS 61 9.355 18.063 10.124
495 HB2 HIS 61 HB2 HIS 61 9.176 15.477 11.674
496 HB3 HIS 61 HB3 HIS 61 10.391 16.709 11.973
497 HD1 HIS 61 HD1 HIS 61 7.398 15.581 13.362
498 HD2 HIS 61 HD2 HIS 61 8.855 19.360 12.434
499 HE1 HIS 61 HE1 HIS 61 6.108 17.176 14.808
500 HE2 HIS 61 HE2 HIS 61 7.151 19.429 14.382
501 H HIS 62 H HIS 62 11.542 18.010 9.790
502 HA HIS 62 HA HIS 62 12.616 15.637 8.395
503 HB2 HIS 62 HB2 HIS 62 13.646 18.492 8.361
504 HB3 HIS 62 HB3 HIS 62 14.360 17.133 7.499
505 HD1 HIS 62 HD1 HIS 62 13.376 16.528 5.250
506 HD2 HIS 62 HD2 HIS 62 11.127 19.361 7.309
507 HE1 HIS 62 HE1 HIS 62 11.634 17.327 3.624
508 HE2 HIS 62 HE2 HIS 62 10.144 18.849 4.970
509 H HIS 63 H HIS 63 13.520 18.271 10.560
510 HA HIS 63 HA HIS 63 14.123 16.600 12.725
511 HB2 HIS 63 HB2 HIS 63 16.175 16.063 11.484
512 HB3 HIS 63 HB3 HIS 63 16.550 17.778 11.333
513 HD1 HIS 63 HD1 HIS 63 15.633 15.607 14.342
514 HD2 HIS 63 HD2 HIS 63 18.517 18.336 13.092
515 HE1 HIS 63 HE1 HIS 63 17.182 15.907 16.301
516 HE2 HIS 63 HE2 HIS 63 18.898 17.590 15.542
Start of MODEL 15
1 H1 MET 1 H1 MET 1 8.034 -15.537 -1.710
2 H2 MET 1 H2 MET 1 7.679 -15.381 -0.060
3 H3 MET 1 H3 MET 1 9.138 -14.778 -0.669
4 HA MET 1 HA MET 1 7.881 -13.200 -2.048
5 HB2 MET 1 HB2 MET 1 5.576 -14.222 -0.369
6 HB3 MET 1 HB3 MET 1 5.519 -12.792 -1.386
7 HG2 MET 1 HG2 MET 1 5.897 -14.176 -3.361
8 HG3 MET 1 HG3 MET 1 5.951 -15.613 -2.341
9 HE1 MET 1 HE1 MET 1 3.981 -15.158 -4.904
10 HE2 MET 1 HE2 MET 1 2.526 -15.923 -4.268
11 HE3 MET 1 HE3 MET 1 4.104 -16.658 -3.979
12 H GLY 2 H GLY 2 9.235 -11.767 -1.040
13 HA2 GLY 2 HA2 GLY 2 8.970 -11.247 1.804
14 HA3 GLY 2 HA3 GLY 2 10.085 -10.460 0.693
15 H GLU 3 H GLU 3 7.836 -9.944 -1.171
16 HA GLU 3 HA GLU 3 6.542 -7.733 0.277
17 HB2 GLU 3 HB2 GLU 3 7.396 -7.862 -2.624
18 HB3 GLU 3 HB3 GLU 3 6.535 -6.519 -1.882
19 HG2 GLU 3 HG2 GLU 3 8.369 -5.937 -0.543
20 HG3 GLU 3 HG3 GLU 3 9.182 -7.468 -0.850
21 H LEU 4 H LEU 4 4.413 -7.068 -0.816
22 HA LEU 4 HA LEU 4 2.995 -9.586 -1.366
23 HB2 LEU 4 HB2 LEU 4 2.019 -7.007 -0.157
24 HB3 LEU 4 HB3 LEU 4 0.980 -8.363 -0.557
25 HG LEU 4 HG LEU 4 3.235 -8.407 1.451
26 HD11 LEU 4 HD11 LEU 4 1.474 -8.628 3.101
27 HD12 LEU 4 HD12 LEU 4 0.251 -8.526 1.834
28 HD13 LEU 4 HD13 LEU 4 1.280 -7.135 2.185
29 HD21 LEU 4 HD21 LEU 4 2.952 -10.556 0.308
30 HD22 LEU 4 HD22 LEU 4 1.237 -10.543 0.716
31 HD23 LEU 4 HD23 LEU 4 2.447 -10.646 1.997
32 H SER 5 H SER 5 0.745 -9.026 -2.466
33 HA SER 5 HA SER 5 1.533 -8.024 -5.085
34 HB2 SER 5 HB2 SER 5 -1.013 -9.443 -4.283
35 HB3 SER 5 HB3 SER 5 -0.391 -9.215 -5.917
36 HG SER 5 HG SER 5 1.513 -10.382 -4.493
37 H TRP 6 H TRP 6 1.288 -5.889 -5.277
38 HA TRP 6 HA TRP 6 -0.978 -4.514 -4.114
39 HB2 TRP 6 HB2 TRP 6 1.396 -3.611 -5.740
40 HB3 TRP 6 HB3 TRP 6 0.071 -2.524 -5.344
41 HD1 TRP 6 HD1 TRP 6 2.253 -4.967 -3.214
42 HE1 TRP 6 HE1 TRP 6 2.991 -3.701 -1.090
43 HE3 TRP 6 HE3 TRP 6 0.016 -0.470 -4.146
44 HZ2 TRP 6 HZ2 TRP 6 2.667 -1.131 0.019
45 HZ3 TRP 6 HZ3 TRP 6 0.286 1.343 -2.505
46 HH2 TRP 6 HH2 TRP 6 1.584 1.018 -0.467
47 H THR 7 H THR 7 -2.793 -3.874 -5.188
48 HA THR 7 HA THR 7 -3.157 -4.881 -7.883
49 HB THR 7 HB THR 7 -5.497 -4.098 -7.641
50 HG1 THR 7 HG1 THR 7 -6.156 -3.205 -5.661
51 HG21 THR 7 HG21 THR 7 -4.478 -5.729 -5.307
52 HG22 THR 7 HG22 THR 7 -4.901 -6.349 -6.905
53 HG23 THR 7 HG23 THR 7 -6.151 -5.665 -5.866
54 H ALA 8 H ALA 8 -4.164 -3.494 -9.556
55 HA ALA 8 HA ALA 8 -2.628 -1.224 -10.125
56 HB1 ALA 8 HB1 ALA 8 -4.186 -0.841 -11.967
57 HB2 ALA 8 HB2 ALA 8 -5.322 -1.986 -11.256
58 HB3 ALA 8 HB3 ALA 8 -3.757 -2.546 -11.844
59 H GLU 9 H GLU 9 -5.595 -1.613 -8.363
60 HA GLU 9 HA GLU 9 -6.534 1.016 -8.263
61 HB2 GLU 9 HB2 GLU 9 -6.467 -0.832 -5.882
62 HB3 GLU 9 HB3 GLU 9 -7.645 0.419 -6.245
63 HG2 GLU 9 HG2 GLU 9 -8.515 -0.890 -8.081
64 HG3 GLU 9 HG3 GLU 9 -7.292 -2.131 -7.798
65 H ALA 10 H ALA 10 -4.249 -0.674 -6.148
66 HA ALA 10 HA ALA 10 -3.670 1.604 -4.543
67 HB1 ALA 10 HB1 ALA 10 -3.438 -0.664 -3.676
68 HB2 ALA 10 HB2 ALA 10 -1.908 0.209 -3.570
69 HB3 ALA 10 HB3 ALA 10 -2.155 -0.986 -4.844
70 H GLU 11 H GLU 11 -1.978 -0.038 -7.197
71 HA GLU 11 HA GLU 11 0.326 1.545 -7.259
72 HB2 GLU 11 HB2 GLU 11 -1.131 0.081 -9.458
73 HB3 GLU 11 HB3 GLU 11 0.421 0.870 -9.697
74 HG2 GLU 11 HG2 GLU 11 -0.067 -1.281 -7.656
75 HG3 GLU 11 HG3 GLU 11 0.527 -1.586 -9.287
76 H LYS 12 H LYS 12 -2.880 2.126 -8.550
77 HA LYS 12 HA LYS 12 -2.271 4.312 -10.215
78 HB2 LYS 12 HB2 LYS 12 -4.432 3.005 -10.126
79 HB3 LYS 12 HB3 LYS 12 -4.831 3.889 -8.660
80 HG2 LYS 12 HG2 LYS 12 -5.955 4.947 -10.452
81 HG3 LYS 12 HG3 LYS 12 -4.619 6.002 -9.986
82 HD2 LYS 12 HD2 LYS 12 -4.772 5.847 -12.409
83 HD3 LYS 12 HD3 LYS 12 -3.280 5.097 -11.841
84 HE2 LYS 12 HE2 LYS 12 -4.389 2.886 -11.966
85 HE3 LYS 12 HE3 LYS 12 -5.817 3.671 -12.638
86 HZ1 LYS 12 HZ1 LYS 12 -4.438 2.724 -14.371
87 HZ2 LYS 12 HZ2 LYS 12 -3.113 3.655 -13.864
88 HZ3 LYS 12 HZ3 LYS 12 -4.490 4.415 -14.508
89 H MET 13 H MET 13 -3.364 4.163 -6.849
90 HA MET 13 HA MET 13 -3.301 6.995 -6.481
91 HB2 MET 13 HB2 MET 13 -3.486 4.727 -4.492
92 HB3 MET 13 HB3 MET 13 -3.657 6.427 -4.075
93 HG2 MET 13 HG2 MET 13 -5.625 6.617 -5.431
94 HG3 MET 13 HG3 MET 13 -5.425 4.970 -6.026
95 HE1 MET 13 HE1 MET 13 -4.597 3.341 -3.497
96 HE2 MET 13 HE2 MET 13 -5.870 2.799 -4.590
97 HE3 MET 13 HE3 MET 13 -6.156 2.830 -2.852
98 H LEU 14 H LEU 14 -1.088 4.348 -5.890
99 HA LEU 14 HA LEU 14 0.771 5.910 -4.366
100 HB2 LEU 14 HB2 LEU 14 0.520 3.420 -4.219
101 HB3 LEU 14 HB3 LEU 14 1.238 3.302 -5.813
102 HG LEU 14 HG LEU 14 3.306 4.351 -4.917
103 HD11 LEU 14 HD11 LEU 14 1.910 4.050 -2.262
104 HD12 LEU 14 HD12 LEU 14 2.338 5.569 -3.048
105 HD13 LEU 14 HD13 LEU 14 3.606 4.478 -2.489
106 HD21 LEU 14 HD21 LEU 14 4.065 2.380 -3.683
107 HD22 LEU 14 HD22 LEU 14 3.120 1.928 -5.103
108 HD23 LEU 14 HD23 LEU 14 2.392 1.852 -3.499
109 H GLY 15 H GLY 15 0.080 5.494 -7.688
110 HA2 GLY 15 HA2 GLY 15 2.610 6.132 -8.798
111 HA3 GLY 15 HA3 GLY 15 1.054 6.311 -9.600
112 H LYS 16 H LYS 16 0.178 8.030 -7.275
113 HA LYS 16 HA LYS 16 1.094 10.560 -8.317
114 HB2 LYS 16 HB2 LYS 16 -0.681 9.936 -5.950
115 HB3 LYS 16 HB3 LYS 16 -0.454 11.523 -6.672
116 HG2 LYS 16 HG2 LYS 16 -1.434 10.684 -8.771
117 HG3 LYS 16 HG3 LYS 16 -1.717 9.126 -7.989
118 HD2 LYS 16 HD2 LYS 16 -3.745 10.467 -7.971
119 HD3 LYS 16 HD3 LYS 16 -3.148 10.238 -6.327
120 HE2 LYS 16 HE2 LYS 16 -3.867 12.541 -6.667
121 HE3 LYS 16 HE3 LYS 16 -2.127 12.463 -6.390
122 HZ1 LYS 16 HZ1 LYS 16 -3.465 12.754 -9.026
123 HZ2 LYS 16 HZ2 LYS 16 -1.791 12.635 -8.792
124 HZ3 LYS 16 HZ3 LYS 16 -2.638 13.973 -8.185
125 H VAL 17 H VAL 17 2.016 8.379 -5.911
126 HA VAL 17 HA VAL 17 3.203 10.319 -4.120
127 HB VAL 17 HB VAL 17 3.231 7.294 -4.096
128 HG11 VAL 17 HG11 VAL 17 5.160 8.175 -2.907
129 HG12 VAL 17 HG12 VAL 17 3.994 7.491 -1.775
130 HG13 VAL 17 HG13 VAL 17 4.114 9.241 -1.967
131 HG21 VAL 17 HG21 VAL 17 1.005 8.187 -3.793
132 HG22 VAL 17 HG22 VAL 17 1.583 9.271 -2.527
133 HG23 VAL 17 HG23 VAL 17 1.599 7.526 -2.270
134 HA PRO 18 HA PRO 18 7.038 10.529 -6.415
135 HB2 PRO 18 HB2 PRO 18 8.062 11.308 -3.733
136 HB3 PRO 18 HB3 PRO 18 8.234 12.132 -5.287
137 HG2 PRO 18 HG2 PRO 18 6.548 13.052 -3.449
138 HG3 PRO 18 HG3 PRO 18 6.114 13.073 -5.171
139 HD2 PRO 18 HD2 PRO 18 5.212 11.221 -3.004
140 HD3 PRO 18 HD3 PRO 18 4.295 11.902 -4.364
141 H PHE 19 H PHE 19 8.777 9.226 -6.707
142 HA PHE 19 HA PHE 19 8.728 6.658 -5.681
143 HB2 PHE 19 HB2 PHE 19 10.878 6.309 -6.784
144 HB3 PHE 19 HB3 PHE 19 9.790 7.240 -7.805
145 HD1 PHE 19 HD2 PHE 19 10.150 9.700 -8.054
146 HD2 PHE 19 HD1 PHE 19 12.961 7.169 -6.107
147 HE1 PHE 19 HE2 PHE 19 11.889 11.418 -8.333
148 HE2 PHE 19 HE1 PHE 19 14.704 8.881 -6.385
149 HZ PHE 19 HZ PHE 19 14.166 11.008 -7.500
150 H PHE 20 H PHE 20 10.340 9.448 -4.353
151 HA PHE 20 HA PHE 20 12.207 8.244 -2.673
152 HB2 PHE 20 HB2 PHE 20 10.482 10.678 -2.155
153 HB3 PHE 20 HB3 PHE 20 11.850 10.208 -1.158
154 HD1 PHE 20 HD2 PHE 20 14.127 10.096 -2.260
155 HD2 PHE 20 HD1 PHE 20 10.763 12.013 -4.009
156 HE1 PHE 20 HE2 PHE 20 15.633 11.396 -3.704
157 HE2 PHE 20 HE1 PHE 20 12.259 13.323 -5.464
158 HZ PHE 20 HZ PHE 20 14.699 13.015 -5.310
159 H VAL 21 H VAL 21 8.993 9.368 -1.705
160 HA VAL 21 HA VAL 21 9.111 7.744 0.672
161 HB VAL 21 HB VAL 21 6.985 8.818 1.273
162 HG11 VAL 21 HG11 VAL 21 9.096 10.720 0.254
163 HG12 VAL 21 HG12 VAL 21 9.070 9.927 1.832
164 HG13 VAL 21 HG13 VAL 21 7.837 11.122 1.427
165 HG21 VAL 21 HG21 VAL 21 6.014 8.998 -0.968
166 HG22 VAL 21 HG22 VAL 21 7.216 10.216 -1.394
167 HG23 VAL 21 HG23 VAL 21 6.022 10.554 -0.141
168 H ARG 22 H ARG 22 8.007 7.350 -2.498
169 HA ARG 22 HA ARG 22 5.776 5.691 -2.137
170 HB2 ARG 22 HB2 ARG 22 6.416 6.595 -4.325
171 HB3 ARG 22 HB3 ARG 22 7.870 5.605 -4.321
172 HG2 ARG 22 HG2 ARG 22 6.414 3.589 -4.250
173 HG3 ARG 22 HG3 ARG 22 5.020 4.653 -4.446
174 HD2 ARG 22 HD2 ARG 22 7.333 4.450 -6.367
175 HD3 ARG 22 HD3 ARG 22 5.779 3.643 -6.568
176 HE ARG 22 HE ARG 22 5.668 6.527 -6.266
177 HH11 ARG 22 HH11 ARG 22 5.783 3.802 -8.446
178 HH12 ARG 22 HH12 ARG 22 5.140 4.677 -9.799
179 HH21 ARG 22 HH21 ARG 22 4.858 7.709 -8.045
180 HH22 ARG 22 HH22 ARG 22 4.610 6.913 -9.570
181 H LYS 23 H LYS 23 9.222 4.916 -2.409
182 HA LYS 23 HA LYS 23 9.038 2.138 -2.071
183 HB2 LYS 23 HB2 LYS 23 11.078 3.230 -2.838
184 HB3 LYS 23 HB3 LYS 23 11.239 4.071 -1.305
185 HG2 LYS 23 HG2 LYS 23 11.525 1.870 -0.190
186 HG3 LYS 23 HG3 LYS 23 11.510 1.113 -1.786
187 HD2 LYS 23 HD2 LYS 23 13.460 3.241 -0.906
188 HD3 LYS 23 HD3 LYS 23 13.796 1.509 -0.908
189 HE2 LYS 23 HE2 LYS 23 13.585 1.396 -3.281
190 HE3 LYS 23 HE3 LYS 23 12.970 3.046 -3.364
191 HZ1 LYS 23 HZ1 LYS 23 15.391 2.677 -3.963
192 HZ2 LYS 23 HZ2 LYS 23 15.669 2.442 -2.306
193 HZ3 LYS 23 HZ3 LYS 23 15.061 3.924 -2.863
194 H LYS 24 H LYS 24 9.285 4.781 0.216
195 HA LYS 24 HA LYS 24 9.603 3.269 2.569
196 HB2 LYS 24 HB2 LYS 24 10.072 5.703 2.321
197 HB3 LYS 24 HB3 LYS 24 8.345 5.998 2.233
198 HG2 LYS 24 HG2 LYS 24 8.073 5.139 4.495
199 HG3 LYS 24 HG3 LYS 24 9.808 4.833 4.587
200 HD2 LYS 24 HD2 LYS 24 10.230 7.236 4.241
201 HD3 LYS 24 HD3 LYS 24 8.490 7.521 4.203
202 HE2 LYS 24 HE2 LYS 24 9.371 8.058 6.393
203 HE3 LYS 24 HE3 LYS 24 8.315 6.650 6.492
204 HZ1 LYS 24 HZ1 LYS 24 10.280 6.291 7.793
205 HZ2 LYS 24 HZ2 LYS 24 11.284 6.628 6.469
206 HZ3 LYS 24 HZ3 LYS 24 10.310 5.245 6.460
207 H VAL 25 H VAL 25 6.727 4.583 0.953
208 HA VAL 25 HA VAL 25 4.919 3.648 2.948
209 HB VAL 25 HB VAL 25 4.391 4.600 0.129
210 HG11 VAL 25 HG11 VAL 25 2.583 3.138 0.903
211 HG12 VAL 25 HG12 VAL 25 2.054 4.817 0.792
212 HG13 VAL 25 HG13 VAL 25 2.423 4.113 2.365
213 HG21 VAL 25 HG21 VAL 25 3.637 6.654 1.239
214 HG22 VAL 25 HG22 VAL 25 5.334 6.311 1.580
215 HG23 VAL 25 HG23 VAL 25 4.103 5.975 2.799
216 H ARG 26 H ARG 26 5.951 2.391 -0.218
217 HA ARG 26 HA ARG 26 4.004 0.401 -0.472
218 HB2 ARG 26 HB2 ARG 26 5.504 1.029 -2.315
219 HB3 ARG 26 HB3 ARG 26 6.865 0.318 -1.455
220 HG2 ARG 26 HG2 ARG 26 5.802 -1.877 -1.573
221 HG3 ARG 26 HG3 ARG 26 4.442 -1.172 -2.444
222 HD2 ARG 26 HD2 ARG 26 7.305 -1.192 -3.386
223 HD3 ARG 26 HD3 ARG 26 6.047 -2.301 -3.929
224 HE ARG 26 HE ARG 26 6.365 0.498 -4.655
225 HH11 ARG 26 HH11 ARG 26 4.267 -2.315 -4.655
226 HH12 ARG 26 HH12 ARG 26 3.347 -1.789 -6.040
227 HH21 ARG 26 HH21 ARG 26 5.145 1.181 -6.470
228 HH22 ARG 26 HH22 ARG 26 3.824 0.206 -7.049
229 H LYS 27 H LYS 27 7.306 0.110 0.853
230 HA LYS 27 HA LYS 27 7.018 -2.594 1.600
231 HB2 LYS 27 HB2 LYS 27 9.218 -1.624 1.312
232 HB3 LYS 27 HB3 LYS 27 8.926 -0.487 2.622
233 HG2 LYS 27 HG2 LYS 27 9.063 -2.147 4.255
234 HG3 LYS 27 HG3 LYS 27 8.834 -3.446 3.084
235 HD2 LYS 27 HD2 LYS 27 11.252 -1.646 3.189
236 HD3 LYS 27 HD3 LYS 27 11.165 -3.251 3.916
237 HE2 LYS 27 HE2 LYS 27 10.616 -4.165 1.665
238 HE3 LYS 27 HE3 LYS 27 10.902 -2.561 0.995
239 HZ1 LYS 27 HZ1 LYS 27 12.897 -4.217 2.446
240 HZ2 LYS 27 HZ2 LYS 27 13.178 -2.669 1.817
241 HZ3 LYS 27 HZ3 LYS 27 12.845 -3.962 0.769
242 H ASN 28 H ASN 28 6.111 0.373 3.143
243 HA ASN 28 HA ASN 28 5.921 -0.638 5.803
244 HB2 ASN 28 HB2 ASN 28 6.075 1.813 5.125
245 HB3 ASN 28 HB3 ASN 28 4.396 1.692 4.618
246 HD21 ASN 28 HD21 ASN 28 5.720 3.304 6.698
247 HD22 ASN 28 HD22 ASN 28 4.863 2.958 8.161
248 H THR 29 H THR 29 3.723 -0.217 3.087
249 HA THR 29 HA THR 29 1.434 -1.254 4.441
250 HB THR 29 HB THR 29 1.718 -1.320 1.480
251 HG1 THR 29 HG1 THR 29 2.437 0.715 1.787
252 HG21 THR 29 HG21 THR 29 -0.623 -0.621 1.569
253 HG22 THR 29 HG22 THR 29 -0.528 -0.566 3.329
254 HG23 THR 29 HG23 THR 29 -0.351 -2.104 2.484
255 H ASP 30 H ASP 30 3.934 -2.625 2.324
256 HA ASP 30 HA ASP 30 2.849 -5.158 1.915
257 HB2 ASP 30 HB2 ASP 30 5.704 -4.244 2.228
258 HB3 ASP 30 HB3 ASP 30 5.313 -5.939 1.970
259 H ASN 31 H ASN 31 4.750 -3.921 4.617
260 HA ASN 31 HA ASN 31 4.483 -6.343 6.133
261 HB2 ASN 31 HB2 ASN 31 5.508 -3.589 6.801
262 HB3 ASN 31 HB3 ASN 31 5.354 -4.846 8.025
263 HD21 ASN 31 HD21 ASN 31 7.042 -3.812 5.172
264 HD22 ASN 31 HD22 ASN 31 8.349 -4.941 5.301
265 H TYR 32 H TYR 32 2.606 -3.476 5.683
266 HA TYR 32 HA TYR 32 1.140 -3.593 8.122
267 HB2 TYR 32 HB2 TYR 32 1.198 -1.522 6.877
268 HB3 TYR 32 HB3 TYR 32 0.497 -2.301 5.461
269 HD1 TYR 32 HD1 TYR 32 -0.275 -1.685 9.062
270 HD2 TYR 32 HD2 TYR 32 -1.775 -2.085 5.104
271 HE1 TYR 32 HE1 TYR 32 -2.523 -1.114 9.864
272 HE2 TYR 32 HE2 TYR 32 -4.033 -1.512 5.895
273 HH TYR 32 HH TYR 32 -5.305 -1.600 8.049
274 H ALA 33 H ALA 33 0.473 -4.710 4.822
275 HA ALA 33 HA ALA 33 -2.046 -5.831 5.439
276 HB1 ALA 33 HB1 ALA 33 -1.868 -6.959 3.286
277 HB2 ALA 33 HB2 ALA 33 -0.157 -6.536 3.197
278 HB3 ALA 33 HB3 ALA 33 -1.383 -5.268 3.159
279 H ARG 34 H ARG 34 1.240 -7.065 5.602
280 HA ARG 34 HA ARG 34 0.654 -9.775 6.093
281 HB2 ARG 34 HB2 ARG 34 2.951 -8.020 6.950
282 HB3 ARG 34 HB3 ARG 34 2.878 -9.733 7.345
283 HG2 ARG 34 HG2 ARG 34 2.869 -10.315 5.020
284 HG3 ARG 34 HG3 ARG 34 2.791 -8.615 4.561
285 HD2 ARG 34 HD2 ARG 34 5.062 -9.512 4.339
286 HD3 ARG 34 HD3 ARG 34 4.979 -8.225 5.537
287 HE ARG 34 HE ARG 34 4.666 -10.783 6.742
288 HH11 ARG 34 HH11 ARG 34 7.082 -8.611 5.433
289 HH12 ARG 34 HH12 ARG 34 8.366 -9.253 6.406
290 HH21 ARG 34 HH21 ARG 34 6.342 -11.605 8.039
291 HH22 ARG 34 HH22 ARG 34 7.951 -10.957 7.879
292 H GLU 35 H GLU 35 0.609 -6.950 8.130
293 HA GLU 35 HA GLU 35 0.549 -8.342 10.591
294 HB2 GLU 35 HB2 GLU 35 1.222 -5.924 10.227
295 HB3 GLU 35 HB3 GLU 35 -0.483 -5.549 10.050
296 HG2 GLU 35 HG2 GLU 35 0.437 -6.945 12.511
297 HG3 GLU 35 HG3 GLU 35 0.766 -5.224 12.331
298 H ILE 36 H ILE 36 -1.929 -6.957 8.482
299 HA ILE 36 HA ILE 36 -4.071 -7.807 10.228
300 HB ILE 36 HB ILE 36 -5.586 -6.889 8.533
301 HG12 ILE 36 HG12 ILE 36 -3.066 -6.260 6.976
302 HG13 ILE 36 HG13 ILE 36 -4.258 -7.478 6.532
303 HG21 ILE 36 HG21 ILE 36 -4.880 -4.549 8.714
304 HG22 ILE 36 HG22 ILE 36 -3.276 -5.079 9.219
305 HG23 ILE 36 HG23 ILE 36 -4.677 -5.421 10.233
306 HD11 ILE 36 HD11 ILE 36 -4.721 -4.508 6.685
307 HD12 ILE 36 HD12 ILE 36 -5.943 -5.716 6.279
308 HD13 ILE 36 HD13 ILE 36 -4.556 -5.473 5.217
309 H GLY 37 H GLY 37 -2.203 -9.332 7.906
310 HA2 GLY 37 HA2 GLY 37 -2.327 -11.610 7.387
311 HA3 GLY 37 HA3 GLY 37 -3.968 -11.636 8.010
312 H GLU 38 H GLU 38 -2.676 -9.472 5.545
313 HA GLU 38 HA GLU 38 -4.509 -10.702 3.595
314 HB2 GLU 38 HB2 GLU 38 -5.226 -8.467 4.520
315 HB3 GLU 38 HB3 GLU 38 -3.776 -7.777 3.804
316 HG2 GLU 38 HG2 GLU 38 -5.617 -7.347 2.358
317 HG3 GLU 38 HG3 GLU 38 -4.565 -8.535 1.590
318 HA PRO 39 HA PRO 39 -0.563 -10.922 1.422
319 HB2 PRO 39 HB2 PRO 39 -1.299 -12.716 -0.433
320 HB3 PRO 39 HB3 PRO 39 -0.996 -13.176 1.246
321 HG2 PRO 39 HG2 PRO 39 -3.585 -12.787 -0.174
322 HG3 PRO 39 HG3 PRO 39 -3.153 -13.972 1.068
323 HD2 PRO 39 HD2 PRO 39 -4.569 -11.621 1.511
324 HD3 PRO 39 HD3 PRO 39 -3.731 -12.566 2.757
325 H VAL 40 H VAL 40 -3.577 -9.771 0.283
326 HA VAL 40 HA VAL 40 -2.317 -8.786 -2.197
327 HB VAL 40 HB VAL 40 -5.264 -9.307 -1.735
328 HG11 VAL 40 HG11 VAL 40 -4.882 -7.459 -3.268
329 HG12 VAL 40 HG12 VAL 40 -5.484 -8.869 -4.142
330 HG13 VAL 40 HG13 VAL 40 -3.771 -8.451 -4.214
331 HG21 VAL 40 HG21 VAL 40 -3.240 -10.834 -3.369
332 HG22 VAL 40 HG22 VAL 40 -4.978 -11.127 -3.373
333 HG23 VAL 40 HG23 VAL 40 -4.041 -11.395 -1.902
334 H VAL 41 H VAL 41 -2.000 -6.670 -2.255
335 HA VAL 41 HA VAL 41 -3.319 -4.994 -0.264
336 HB VAL 41 HB VAL 41 -1.085 -4.262 -2.166
337 HG11 VAL 41 HG11 VAL 41 -2.165 -2.855 0.275
338 HG12 VAL 41 HG12 VAL 41 -2.311 -2.320 -1.398
339 HG13 VAL 41 HG13 VAL 41 -0.728 -2.370 -0.624
340 HG21 VAL 41 HG21 VAL 41 -0.356 -6.025 -0.664
341 HG22 VAL 41 HG22 VAL 41 -0.956 -5.118 0.724
342 HG23 VAL 41 HG23 VAL 41 0.401 -4.497 -0.216
343 H THR 42 H THR 42 -5.328 -4.647 -1.029
344 HA THR 42 HA THR 42 -5.760 -3.702 -3.740
345 HB THR 42 HB THR 42 -8.166 -3.673 -3.040
346 HG1 THR 42 HG1 THR 42 -8.323 -5.019 -0.910
347 HG21 THR 42 HG21 THR 42 -8.399 -6.123 -2.861
348 HG22 THR 42 HG22 THR 42 -6.667 -6.253 -2.547
349 HG23 THR 42 HG23 THR 42 -7.241 -5.657 -4.107
350 H ALA 43 H ALA 43 -7.527 -1.806 -3.778
351 HA ALA 43 HA ALA 43 -6.333 0.551 -2.803
352 HB1 ALA 43 HB1 ALA 43 -9.208 0.114 -3.620
353 HB2 ALA 43 HB2 ALA 43 -7.880 0.516 -4.710
354 HB3 ALA 43 HB3 ALA 43 -8.394 1.674 -3.482
355 H ASP 44 H ASP 44 -8.823 -1.556 -1.542
356 HA ASP 44 HA ASP 44 -9.734 0.032 0.591
357 HB2 ASP 44 HB2 ASP 44 -10.892 -1.997 -0.205
358 HB3 ASP 44 HB3 ASP 44 -9.572 -2.986 0.413
359 H VAL 45 H VAL 45 -7.159 -2.402 0.420
360 HA VAL 45 HA VAL 45 -6.379 -2.239 3.131
361 HB VAL 45 HB VAL 45 -4.724 -3.055 0.730
362 HG11 VAL 45 HG11 VAL 45 -3.292 -4.217 2.308
363 HG12 VAL 45 HG12 VAL 45 -4.280 -3.645 3.654
364 HG13 VAL 45 HG13 VAL 45 -3.352 -2.495 2.689
365 HG21 VAL 45 HG21 VAL 45 -6.731 -4.410 0.960
366 HG22 VAL 45 HG22 VAL 45 -6.352 -4.715 2.655
367 HG23 VAL 45 HG23 VAL 45 -5.301 -5.351 1.388
368 H PHE 46 H PHE 46 -5.313 -0.540 0.220
369 HA PHE 46 HA PHE 46 -3.189 0.888 1.421
370 HB2 PHE 46 HB2 PHE 46 -3.571 0.562 -1.056
371 HB3 PHE 46 HB3 PHE 46 -4.836 1.781 -0.955
372 HD1 PHE 46 HD1 PHE 46 -1.248 1.328 -0.037
373 HD2 PHE 46 HD2 PHE 46 -4.278 3.949 -1.467
374 HE1 PHE 46 HE1 PHE 46 0.441 3.081 -0.391
375 HE2 PHE 46 HE2 PHE 46 -2.597 5.706 -1.819
376 HZ PHE 46 HZ PHE 46 -0.234 5.274 -1.284
377 H ARG 47 H ARG 47 -6.631 1.558 1.060
378 HA ARG 47 HA ARG 47 -6.662 4.172 2.097
379 HB2 ARG 47 HB2 ARG 47 -8.647 1.987 1.781
380 HB3 ARG 47 HB3 ARG 47 -9.043 3.257 2.932
381 HG2 ARG 47 HG2 ARG 47 -8.071 4.321 0.421
382 HG3 ARG 47 HG3 ARG 47 -9.496 3.300 0.216
383 HD2 ARG 47 HD2 ARG 47 -10.077 5.664 0.587
384 HD3 ARG 47 HD3 ARG 47 -10.714 4.604 1.841
385 HE ARG 47 HE ARG 47 -8.700 5.377 3.175
386 HH11 ARG 47 HH11 ARG 47 -10.264 7.334 0.745
387 HH12 ARG 47 HH12 ARG 47 -9.822 8.847 1.479
388 HH21 ARG 47 HH21 ARG 47 -8.130 7.352 4.189
389 HH22 ARG 47 HH22 ARG 47 -8.594 8.851 3.437
390 H LYS 48 H LYS 48 -7.035 1.030 3.706
391 HA LYS 48 HA LYS 48 -7.342 2.042 6.312
392 HB2 LYS 48 HB2 LYS 48 -6.372 -0.616 5.278
393 HB3 LYS 48 HB3 LYS 48 -6.538 -0.279 6.997
394 HG2 LYS 48 HG2 LYS 48 -8.906 0.148 6.714
395 HG3 LYS 48 HG3 LYS 48 -8.759 -0.107 4.974
396 HD2 LYS 48 HD2 LYS 48 -8.212 -2.410 5.282
397 HD3 LYS 48 HD3 LYS 48 -8.062 -2.196 7.027
398 HE2 LYS 48 HE2 LYS 48 -10.171 -3.281 6.445
399 HE3 LYS 48 HE3 LYS 48 -10.444 -1.705 7.185
400 HZ1 LYS 48 HZ1 LYS 48 -11.889 -2.028 5.294
401 HZ2 LYS 48 HZ2 LYS 48 -10.562 -2.316 4.275
402 HZ3 LYS 48 HZ3 LYS 48 -10.789 -0.781 4.962
403 H ALA 49 H ALA 49 -4.494 1.267 4.408
404 HA ALA 49 HA ALA 49 -2.554 1.479 6.418
405 HB1 ALA 49 HB1 ALA 49 -2.289 2.207 3.503
406 HB2 ALA 49 HB2 ALA 49 -2.080 0.592 4.186
407 HB3 ALA 49 HB3 ALA 49 -0.963 1.885 4.621
408 H LYS 50 H LYS 50 -3.927 3.958 4.269
409 HA LYS 50 HA LYS 50 -2.317 6.087 5.115
410 HB2 LYS 50 HB2 LYS 50 -5.086 6.035 3.931
411 HB3 LYS 50 HB3 LYS 50 -4.247 7.535 4.296
412 HG2 LYS 50 HG2 LYS 50 -2.398 6.781 2.808
413 HG3 LYS 50 HG3 LYS 50 -3.403 5.404 2.351
414 HD2 LYS 50 HD2 LYS 50 -5.074 6.846 1.421
415 HD3 LYS 50 HD3 LYS 50 -4.263 8.279 2.060
416 HE2 LYS 50 HE2 LYS 50 -2.324 7.787 0.619
417 HE3 LYS 50 HE3 LYS 50 -3.194 6.410 -0.051
418 HZ1 LYS 50 HZ1 LYS 50 -4.861 7.904 -0.922
419 HZ2 LYS 50 HZ2 LYS 50 -3.326 8.374 -1.471
420 HZ3 LYS 50 HZ3 LYS 50 -4.081 9.240 -0.219
421 H GLU 51 H GLU 51 -5.416 4.925 6.370
422 HA GLU 51 HA GLU 51 -5.648 7.013 8.304
423 HB2 GLU 51 HB2 GLU 51 -7.155 4.606 7.558
424 HB3 GLU 51 HB3 GLU 51 -7.236 5.010 9.268
425 HG2 GLU 51 HG2 GLU 51 -9.068 5.975 7.918
426 HG3 GLU 51 HG3 GLU 51 -8.117 7.172 8.792
427 H HIS 52 H HIS 52 -4.469 3.679 8.397
428 HA HIS 52 HA HIS 52 -4.096 3.521 11.190
429 HB2 HIS 52 HB2 HIS 52 -4.102 1.573 9.619
430 HB3 HIS 52 HB3 HIS 52 -2.518 2.080 9.046
431 HD1 HIS 52 HD1 HIS 52 -4.220 0.272 11.792
432 HD2 HIS 52 HD2 HIS 52 -0.397 1.677 10.930
433 HE1 HIS 52 HE1 HIS 52 -2.687 -0.897 13.402
434 HE2 HIS 52 HE2 HIS 52 -0.372 -0.171 12.744
435 H LEU 53 H LEU 53 -1.894 4.453 8.563
436 HA LEU 53 HA LEU 53 0.314 4.995 10.289
437 HB2 LEU 53 HB2 LEU 53 -0.262 5.985 7.490
438 HB3 LEU 53 HB3 LEU 53 1.276 6.138 8.317
439 HG LEU 53 HG LEU 53 -0.031 3.527 7.542
440 HD11 LEU 53 HD11 LEU 53 2.315 4.997 6.349
441 HD12 LEU 53 HD12 LEU 53 0.741 4.747 5.593
442 HD13 LEU 53 HD13 LEU 53 1.796 3.369 5.913
443 HD21 LEU 53 HD21 LEU 53 1.342 3.360 9.564
444 HD22 LEU 53 HD22 LEU 53 2.697 4.088 8.697
445 HD23 LEU 53 HD23 LEU 53 2.074 2.512 8.203
446 H GLY 54 H GLY 54 -2.211 6.964 8.784
447 HA2 GLY 54 HA2 GLY 54 -3.148 8.918 9.676
448 HA3 GLY 54 HA3 GLY 54 -1.821 9.005 10.827
449 H GLY 55 H GLY 55 0.377 8.980 9.336
450 HA2 GLY 55 HA2 GLY 55 0.778 10.136 6.988
451 HA3 GLY 55 HA3 GLY 55 0.241 11.525 7.926
452 H LEU 56 H LEU 56 2.687 11.683 6.859
453 HA LEU 56 HA LEU 56 4.582 11.003 8.984
454 HB2 LEU 56 HB2 LEU 56 5.114 10.646 6.530
455 HB3 LEU 56 HB3 LEU 56 5.126 12.387 6.352
456 HG LEU 56 HG LEU 56 6.938 11.083 8.354
457 HD11 LEU 56 HD11 LEU 56 7.315 9.861 6.296
458 HD12 LEU 56 HD12 LEU 56 8.665 10.954 6.601
459 HD13 LEU 56 HD13 LEU 56 7.446 11.369 5.395
460 HD21 LEU 56 HD21 LEU 56 8.337 13.024 7.857
461 HD22 LEU 56 HD22 LEU 56 6.724 13.524 8.362
462 HD23 LEU 56 HD23 LEU 56 7.168 13.570 6.656
463 H GLU 57 H GLU 57 3.160 13.695 7.252
464 HA GLU 57 HA GLU 57 4.063 15.540 9.351
465 HB2 GLU 57 HB2 GLU 57 2.834 16.158 6.652
466 HB3 GLU 57 HB3 GLU 57 3.481 17.332 7.793
467 HG2 GLU 57 HG2 GLU 57 5.703 16.440 7.515
468 HG3 GLU 57 HG3 GLU 57 5.092 15.169 6.458
469 H HIS 58 H HIS 58 2.667 16.064 10.862
470 HA HIS 58 HA HIS 58 0.188 14.760 11.048
471 HB2 HIS 58 HB2 HIS 58 1.686 15.537 12.935
472 HB3 HIS 58 HB3 HIS 58 1.055 17.158 12.669
473 HD1 HIS 58 HD1 HIS 58 0.328 13.969 14.325
474 HD2 HIS 58 HD2 HIS 58 -1.757 17.409 13.265
475 HE1 HIS 58 HE1 HIS 58 -1.787 13.929 15.691
476 HE2 HIS 58 HE2 HIS 58 -3.030 16.025 15.047
477 H HIS 59 H HIS 59 -1.458 15.201 9.727
478 HA HIS 59 HA HIS 59 -2.411 17.970 9.592
479 HB2 HIS 59 HB2 HIS 59 -1.778 16.213 7.233
480 HB3 HIS 59 HB3 HIS 59 -2.970 17.504 7.118
481 HD1 HIS 59 HD1 HIS 59 0.314 16.992 6.172
482 HD2 HIS 59 HD2 HIS 59 -1.545 20.005 8.352
483 HE1 HIS 59 HE1 HIS 59 1.847 18.979 6.031
484 HE2 HIS 59 HE2 HIS 59 0.774 20.737 7.486
485 H HIS 60 H HIS 60 -4.296 17.829 10.565
486 HA HIS 60 HA HIS 60 -6.343 16.172 9.298
487 HB2 HIS 60 HB2 HIS 60 -5.582 16.086 12.179
488 HB3 HIS 60 HB3 HIS 60 -7.302 16.084 11.809
489 HD1 HIS 60 HD1 HIS 60 -8.301 13.873 11.310
490 HD2 HIS 60 HD2 HIS 60 -4.167 13.853 10.852
491 HE1 HIS 60 HE1 HIS 60 -7.683 11.485 10.853
492 HE2 HIS 60 HE2 HIS 60 -5.205 11.521 10.424
493 H HIS 61 H HIS 61 -8.369 17.178 9.226
494 HA HIS 61 HA HIS 61 -8.177 20.060 9.822
495 HB2 HIS 61 HB2 HIS 61 -9.687 18.659 7.609
496 HB3 HIS 61 HB3 HIS 61 -9.724 20.394 7.914
497 HD1 HIS 61 HD1 HIS 61 -8.106 18.032 5.820
498 HD2 HIS 61 HD2 HIS 61 -6.880 21.445 7.857
499 HE1 HIS 61 HE1 HIS 61 -5.958 18.749 4.720
500 HE2 HIS 61 HE2 HIS 61 -5.152 20.712 6.085
501 H HIS 62 H HIS 62 -10.544 17.428 9.524
502 HA HIS 62 HA HIS 62 -12.006 18.399 11.807
503 HB2 HIS 62 HB2 HIS 62 -12.744 19.814 9.769
504 HB3 HIS 62 HB3 HIS 62 -13.519 18.343 9.198
505 HD1 HIS 62 HD1 HIS 62 -14.048 21.237 11.326
506 HD2 HIS 62 HD2 HIS 62 -15.607 17.393 11.029
507 HE1 HIS 62 HE1 HIS 62 -16.212 21.274 12.619
508 HE2 HIS 62 HE2 HIS 62 -17.219 18.992 12.261
509 H HIS 63 H HIS 63 -13.814 16.873 9.347
510 HA HIS 63 HA HIS 63 -13.000 14.287 9.277
511 HB2 HIS 63 HB2 HIS 63 -14.744 13.144 10.763
512 HB3 HIS 63 HB3 HIS 63 -13.332 13.805 11.564
513 HD1 HIS 63 HD1 HIS 63 -13.748 15.339 13.485
514 HD2 HIS 63 HD2 HIS 63 -17.153 14.748 11.165
515 HE1 HIS 63 HE1 HIS 63 -15.631 16.414 14.752
516 HE2 HIS 63 HE2 HIS 63 -17.631 16.223 13.237
Start of MODEL 16
1 H1 MET 1 H1 MET 1 6.605 -14.476 4.145
2 H2 MET 1 H2 MET 1 7.336 -15.980 3.874
3 H3 MET 1 H3 MET 1 6.661 -15.123 2.578
4 HA MET 1 HA MET 1 9.021 -14.334 4.190
5 HB2 MET 1 HB2 MET 1 9.411 -16.156 2.554
6 HB3 MET 1 HB3 MET 1 8.796 -15.119 1.274
7 HG2 MET 1 HG2 MET 1 10.626 -13.569 1.612
8 HG3 MET 1 HG3 MET 1 11.228 -14.547 2.951
9 HE1 MET 1 HE1 MET 1 13.641 -14.748 1.906
10 HE2 MET 1 HE2 MET 1 13.111 -13.682 0.607
11 HE3 MET 1 HE3 MET 1 13.943 -15.191 0.226
12 H GLY 2 H GLY 2 7.642 -13.557 0.989
13 HA2 GLY 2 HA2 GLY 2 7.104 -10.831 1.800
14 HA3 GLY 2 HA3 GLY 2 8.464 -11.001 0.698
15 H GLU 3 H GLU 3 7.848 -10.409 -1.253
16 HA GLU 3 HA GLU 3 6.786 -10.358 -3.242
17 HB2 GLU 3 HB2 GLU 3 5.772 -12.956 -2.162
18 HB3 GLU 3 HB3 GLU 3 5.121 -12.323 -3.667
19 HG2 GLU 3 HG2 GLU 3 8.024 -12.875 -3.113
20 HG3 GLU 3 HG3 GLU 3 6.936 -13.905 -4.045
21 H LEU 4 H LEU 4 4.080 -11.753 -1.442
22 HA LEU 4 HA LEU 4 1.904 -11.140 -1.282
23 HB2 LEU 4 HB2 LEU 4 3.041 -8.338 -1.325
24 HB3 LEU 4 HB3 LEU 4 1.409 -8.766 -0.848
25 HG LEU 4 HG LEU 4 3.932 -9.601 0.589
26 HD11 LEU 4 HD11 LEU 4 3.093 -8.102 2.360
27 HD12 LEU 4 HD12 LEU 4 1.816 -7.566 1.268
28 HD13 LEU 4 HD13 LEU 4 3.506 -7.247 0.874
29 HD21 LEU 4 HD21 LEU 4 2.138 -11.266 0.766
30 HD22 LEU 4 HD22 LEU 4 1.039 -10.012 1.341
31 HD23 LEU 4 HD23 LEU 4 2.447 -10.462 2.306
32 H SER 5 H SER 5 0.400 -9.117 -2.378
33 HA SER 5 HA SER 5 1.098 -8.992 -5.213
34 HB2 SER 5 HB2 SER 5 -0.426 -10.961 -4.860
35 HB3 SER 5 HB3 SER 5 -1.652 -9.843 -4.262
36 HG SER 5 HG SER 5 -0.433 -9.739 -6.835
37 H TRP 6 H TRP 6 0.887 -6.986 -5.918
38 HA TRP 6 HA TRP 6 -0.769 -5.130 -4.367
39 HB2 TRP 6 HB2 TRP 6 1.721 -4.817 -5.978
40 HB3 TRP 6 HB3 TRP 6 0.615 -3.448 -5.888
41 HD1 TRP 6 HD1 TRP 6 2.619 -5.750 -3.488
42 HE1 TRP 6 HE1 TRP 6 3.183 -4.384 -1.366
43 HE3 TRP 6 HE3 TRP 6 0.091 -1.466 -4.620
44 HZ2 TRP 6 HZ2 TRP 6 2.589 -1.815 -0.326
45 HZ3 TRP 6 HZ3 TRP 6 0.135 0.393 -3.016
46 HH2 TRP 6 HH2 TRP 6 1.359 0.220 -0.918
47 H THR 7 H THR 7 -2.521 -4.226 -5.231
48 HA THR 7 HA THR 7 -3.335 -5.053 -7.879
49 HB THR 7 HB THR 7 -5.448 -3.824 -7.320
50 HG1 THR 7 HG1 THR 7 -4.310 -3.559 -4.717
51 HG21 THR 7 HG21 THR 7 -5.231 -6.218 -6.849
52 HG22 THR 7 HG22 THR 7 -6.209 -5.418 -5.618
53 HG23 THR 7 HG23 THR 7 -4.536 -5.849 -5.270
54 H ALA 8 H ALA 8 -4.082 -3.561 -9.501
55 HA ALA 8 HA ALA 8 -2.379 -1.378 -9.994
56 HB1 ALA 8 HB1 ALA 8 -5.086 -1.978 -11.179
57 HB2 ALA 8 HB2 ALA 8 -3.535 -2.560 -11.780
58 HB3 ALA 8 HB3 ALA 8 -3.908 -0.837 -11.830
59 H GLU 9 H GLU 9 -5.569 -1.627 -8.534
60 HA GLU 9 HA GLU 9 -6.232 1.069 -8.354
61 HB2 GLU 9 HB2 GLU 9 -6.830 -1.213 -6.481
62 HB3 GLU 9 HB3 GLU 9 -7.553 0.383 -6.330
63 HG2 GLU 9 HG2 GLU 9 -7.818 -1.481 -8.677
64 HG3 GLU 9 HG3 GLU 9 -9.053 -1.131 -7.467
65 H ALA 10 H ALA 10 -4.316 -0.910 -6.114
66 HA ALA 10 HA ALA 10 -3.836 1.184 -4.260
67 HB1 ALA 10 HB1 ALA 10 -3.600 -1.178 -3.668
68 HB2 ALA 10 HB2 ALA 10 -2.110 -0.285 -3.351
69 HB3 ALA 10 HB3 ALA 10 -2.234 -1.320 -4.774
70 H GLU 11 H GLU 11 -2.073 -0.064 -7.051
71 HA GLU 11 HA GLU 11 0.243 1.498 -6.804
72 HB2 GLU 11 HB2 GLU 11 -1.100 0.127 -9.110
73 HB3 GLU 11 HB3 GLU 11 0.315 1.136 -9.378
74 HG2 GLU 11 HG2 GLU 11 0.210 -1.206 -7.497
75 HG3 GLU 11 HG3 GLU 11 0.853 -1.252 -9.140
76 H LYS 12 H LYS 12 -2.901 2.248 -8.180
77 HA LYS 12 HA LYS 12 -2.149 4.597 -9.556
78 HB2 LYS 12 HB2 LYS 12 -4.806 3.771 -8.379
79 HB3 LYS 12 HB3 LYS 12 -4.583 5.179 -9.409
80 HG2 LYS 12 HG2 LYS 12 -3.917 3.800 -11.249
81 HG3 LYS 12 HG3 LYS 12 -3.932 2.359 -10.232
82 HD2 LYS 12 HD2 LYS 12 -6.363 2.698 -9.872
83 HD3 LYS 12 HD3 LYS 12 -6.308 4.053 -11.002
84 HE2 LYS 12 HE2 LYS 12 -5.553 2.563 -12.774
85 HE3 LYS 12 HE3 LYS 12 -5.554 1.206 -11.647
86 HZ1 LYS 12 HZ1 LYS 12 -7.537 1.238 -13.026
87 HZ2 LYS 12 HZ2 LYS 12 -7.947 2.776 -12.444
88 HZ3 LYS 12 HZ3 LYS 12 -7.933 1.446 -11.391
89 H MET 13 H MET 13 -3.234 4.028 -6.241
90 HA MET 13 HA MET 13 -3.185 6.838 -5.606
91 HB2 MET 13 HB2 MET 13 -3.568 4.373 -3.917
92 HB3 MET 13 HB3 MET 13 -3.502 5.991 -3.233
93 HG2 MET 13 HG2 MET 13 -5.421 6.627 -4.647
94 HG3 MET 13 HG3 MET 13 -5.512 4.964 -5.223
95 HE1 MET 13 HE1 MET 13 -4.850 3.259 -2.734
96 HE2 MET 13 HE2 MET 13 -6.273 2.902 -3.716
97 HE3 MET 13 HE3 MET 13 -6.416 3.015 -1.962
98 H LEU 14 H LEU 14 -1.043 4.084 -5.230
99 HA LEU 14 HA LEU 14 0.818 5.444 -3.539
100 HB2 LEU 14 HB2 LEU 14 0.650 2.975 -3.664
101 HB3 LEU 14 HB3 LEU 14 1.260 3.031 -5.306
102 HG LEU 14 HG LEU 14 3.394 3.940 -4.491
103 HD11 LEU 14 HD11 LEU 14 2.559 5.110 -2.517
104 HD12 LEU 14 HD12 LEU 14 3.873 4.009 -2.100
105 HD13 LEU 14 HD13 LEU 14 2.203 3.564 -1.746
106 HD21 LEU 14 HD21 LEU 14 4.194 1.916 -3.382
107 HD22 LEU 14 HD22 LEU 14 3.127 1.525 -4.730
108 HD23 LEU 14 HD23 LEU 14 2.531 1.420 -3.074
109 H GLY 15 H GLY 15 0.336 5.160 -6.980
110 HA2 GLY 15 HA2 GLY 15 2.862 6.208 -7.783
111 HA3 GLY 15 HA3 GLY 15 1.411 6.120 -8.772
112 H LYS 16 H LYS 16 0.206 7.651 -6.303
113 HA LYS 16 HA LYS 16 0.516 10.270 -7.434
114 HB2 LYS 16 HB2 LYS 16 -1.567 9.128 -6.323
115 HB3 LYS 16 HB3 LYS 16 -0.834 9.674 -4.820
116 HG2 LYS 16 HG2 LYS 16 -0.832 11.971 -5.717
117 HG3 LYS 16 HG3 LYS 16 -1.702 11.384 -7.132
118 HD2 LYS 16 HD2 LYS 16 -2.661 11.239 -4.273
119 HD3 LYS 16 HD3 LYS 16 -3.236 12.370 -5.498
120 HE2 LYS 16 HE2 LYS 16 -3.467 9.364 -5.639
121 HE3 LYS 16 HE3 LYS 16 -4.762 10.461 -5.167
122 HZ1 LYS 16 HZ1 LYS 16 -5.022 9.854 -7.456
123 HZ2 LYS 16 HZ2 LYS 16 -3.433 10.325 -7.824
124 HZ3 LYS 16 HZ3 LYS 16 -4.581 11.488 -7.380
125 H VAL 17 H VAL 17 2.235 8.402 -5.311
126 HA VAL 17 HA VAL 17 3.244 10.645 -3.713
127 HB VAL 17 HB VAL 17 3.585 7.658 -3.380
128 HG11 VAL 17 HG11 VAL 17 4.472 9.902 -1.571
129 HG12 VAL 17 HG12 VAL 17 5.524 8.849 -2.518
130 HG13 VAL 17 HG13 VAL 17 4.565 8.180 -1.198
131 HG21 VAL 17 HG21 VAL 17 2.128 7.905 -1.438
132 HG22 VAL 17 HG22 VAL 17 1.314 8.415 -2.919
133 HG23 VAL 17 HG23 VAL 17 1.938 9.623 -1.794
134 HA PRO 18 HA PRO 18 6.866 10.877 -6.347
135 HB2 PRO 18 HB2 PRO 18 8.161 11.730 -3.804
136 HB3 PRO 18 HB3 PRO 18 8.160 12.522 -5.384
137 HG2 PRO 18 HG2 PRO 18 6.671 13.453 -3.381
138 HG3 PRO 18 HG3 PRO 18 6.076 13.471 -5.051
139 HD2 PRO 18 HD2 PRO 18 5.342 11.658 -2.797
140 HD3 PRO 18 HD3 PRO 18 4.334 12.292 -4.113
141 H PHE 19 H PHE 19 8.529 9.581 -6.812
142 HA PHE 19 HA PHE 19 8.426 7.004 -5.778
143 HB2 PHE 19 HB2 PHE 19 9.234 7.849 -8.071
144 HB3 PHE 19 HB3 PHE 19 10.800 8.051 -7.290
145 HD1 PHE 19 HD1 PHE 19 8.114 5.513 -7.635
146 HD2 PHE 19 HD2 PHE 19 12.286 6.294 -7.412
147 HE1 PHE 19 HE1 PHE 19 8.577 3.119 -8.025
148 HE2 PHE 19 HE2 PHE 19 12.762 3.906 -7.794
149 HZ PHE 19 HZ PHE 19 10.907 2.316 -8.101
150 H PHE 20 H PHE 20 10.447 9.671 -4.851
151 HA PHE 20 HA PHE 20 12.619 8.372 -3.707
152 HB2 PHE 20 HB2 PHE 20 11.325 10.875 -2.615
153 HB3 PHE 20 HB3 PHE 20 13.013 10.396 -2.468
154 HD1 PHE 20 HD2 PHE 20 14.367 10.214 -4.646
155 HD2 PHE 20 HD1 PHE 20 10.633 12.231 -4.347
156 HE1 PHE 20 HE2 PHE 20 14.889 11.474 -6.690
157 HE2 PHE 20 HE1 PHE 20 11.151 13.498 -6.394
158 HZ PHE 20 HZ PHE 20 13.282 13.122 -7.565
159 H VAL 21 H VAL 21 9.484 9.197 -2.282
160 HA VAL 21 HA VAL 21 10.205 7.622 0.099
161 HB VAL 21 HB VAL 21 8.382 8.796 1.260
162 HG11 VAL 21 HG11 VAL 21 9.435 11.018 1.356
163 HG12 VAL 21 HG12 VAL 21 10.359 10.626 -0.096
164 HG13 VAL 21 HG13 VAL 21 10.619 9.712 1.391
165 HG21 VAL 21 HG21 VAL 21 7.298 10.737 0.210
166 HG22 VAL 21 HG22 VAL 21 6.913 9.233 -0.624
167 HG23 VAL 21 HG23 VAL 21 8.095 10.343 -1.314
168 H ARG 22 H ARG 22 8.490 7.466 -2.736
169 HA ARG 22 HA ARG 22 6.051 6.294 -2.057
170 HB2 ARG 22 HB2 ARG 22 6.536 7.109 -4.301
171 HB3 ARG 22 HB3 ARG 22 7.769 5.874 -4.508
172 HG2 ARG 22 HG2 ARG 22 6.055 4.141 -4.401
173 HG3 ARG 22 HG3 ARG 22 4.818 5.378 -4.170
174 HD2 ARG 22 HD2 ARG 22 5.307 6.314 -6.351
175 HD3 ARG 22 HD3 ARG 22 6.622 5.157 -6.579
176 HE ARG 22 HE ARG 22 4.181 3.825 -6.045
177 HH11 ARG 22 HH11 ARG 22 5.825 5.571 -8.608
178 HH12 ARG 22 HH12 ARG 22 5.060 4.652 -9.879
179 HH21 ARG 22 HH21 ARG 22 3.165 2.648 -7.718
180 HH22 ARG 22 HH22 ARG 22 3.537 3.016 -9.374
181 H LYS 23 H LYS 23 9.208 4.795 -2.656
182 HA LYS 23 HA LYS 23 8.248 2.136 -2.440
183 HB2 LYS 23 HB2 LYS 23 10.658 1.525 -2.230
184 HB3 LYS 23 HB3 LYS 23 10.284 2.517 -3.628
185 HG2 LYS 23 HG2 LYS 23 12.252 3.435 -2.859
186 HG3 LYS 23 HG3 LYS 23 11.035 4.494 -2.150
187 HD2 LYS 23 HD2 LYS 23 12.769 3.938 -0.524
188 HD3 LYS 23 HD3 LYS 23 11.207 3.278 -0.033
189 HE2 LYS 23 HE2 LYS 23 12.931 1.630 0.347
190 HE3 LYS 23 HE3 LYS 23 11.874 1.091 -0.954
191 HZ1 LYS 23 HZ1 LYS 23 14.552 2.334 -1.290
192 HZ2 LYS 23 HZ2 LYS 23 13.530 1.859 -2.556
193 HZ3 LYS 23 HZ3 LYS 23 14.176 0.694 -1.510
194 H LYS 24 H LYS 24 9.152 4.512 -0.105
195 HA LYS 24 HA LYS 24 9.579 2.674 2.062
196 HB2 LYS 24 HB2 LYS 24 10.524 5.024 1.914
197 HB3 LYS 24 HB3 LYS 24 8.902 5.613 2.253
198 HG2 LYS 24 HG2 LYS 24 8.914 4.558 4.412
199 HG3 LYS 24 HG3 LYS 24 10.467 3.793 4.071
200 HD2 LYS 24 HD2 LYS 24 9.959 6.760 4.287
201 HD3 LYS 24 HD3 LYS 24 10.755 5.753 5.499
202 HE2 LYS 24 HE2 LYS 24 12.530 5.233 3.900
203 HE3 LYS 24 HE3 LYS 24 11.725 6.217 2.679
204 HZ1 LYS 24 HZ1 LYS 24 13.475 7.477 3.656
205 HZ2 LYS 24 HZ2 LYS 24 12.923 7.164 5.223
206 HZ3 LYS 24 HZ3 LYS 24 12.006 8.144 4.185
207 H VAL 25 H VAL 25 6.933 4.656 0.848
208 HA VAL 25 HA VAL 25 5.033 4.001 2.829
209 HB VAL 25 HB VAL 25 4.511 4.650 -0.086
210 HG11 VAL 25 HG11 VAL 25 2.728 4.853 2.340
211 HG12 VAL 25 HG12 VAL 25 2.570 3.696 1.018
212 HG13 VAL 25 HG13 VAL 25 2.319 5.416 0.719
213 HG21 VAL 25 HG21 VAL 25 4.755 6.479 2.304
214 HG22 VAL 25 HG22 VAL 25 4.192 6.970 0.706
215 HG23 VAL 25 HG23 VAL 25 5.847 6.397 0.921
216 H ARG 26 H ARG 26 5.912 2.501 -0.259
217 HA ARG 26 HA ARG 26 3.990 0.484 -0.341
218 HB2 ARG 26 HB2 ARG 26 5.482 0.930 -2.228
219 HB3 ARG 26 HB3 ARG 26 6.861 0.372 -1.290
220 HG2 ARG 26 HG2 ARG 26 5.668 -1.854 -1.116
221 HG3 ARG 26 HG3 ARG 26 4.562 -1.242 -2.346
222 HD2 ARG 26 HD2 ARG 26 7.551 -1.450 -2.642
223 HD3 ARG 26 HD3 ARG 26 6.392 -2.614 -3.278
224 HE ARG 26 HE ARG 26 5.607 -0.221 -4.330
225 HH11 ARG 26 HH11 ARG 26 8.568 -2.087 -4.331
226 HH12 ARG 26 HH12 ARG 26 9.086 -1.502 -5.887
227 HH21 ARG 26 HH21 ARG 26 6.266 0.549 -6.367
228 HH22 ARG 26 HH22 ARG 26 7.769 0.002 -7.054
229 H LYS 27 H LYS 27 7.282 0.343 1.014
230 HA LYS 27 HA LYS 27 7.152 -2.280 1.969
231 HB2 LYS 27 HB2 LYS 27 9.241 -0.982 1.780
232 HB3 LYS 27 HB3 LYS 27 8.720 0.043 3.110
233 HG2 LYS 27 HG2 LYS 27 8.728 -1.909 4.599
234 HG3 LYS 27 HG3 LYS 27 9.302 -2.908 3.265
235 HD2 LYS 27 HD2 LYS 27 11.324 -1.552 3.106
236 HD3 LYS 27 HD3 LYS 27 10.745 -0.524 4.420
237 HE2 LYS 27 HE2 LYS 27 10.724 -2.498 5.907
238 HE3 LYS 27 HE3 LYS 27 11.391 -3.465 4.592
239 HZ1 LYS 27 HZ1 LYS 27 13.359 -2.091 4.597
240 HZ2 LYS 27 HZ2 LYS 27 13.092 -2.713 6.151
241 HZ3 LYS 27 HZ3 LYS 27 12.709 -1.097 5.810
242 H ASN 28 H ASN 28 6.017 0.722 3.334
243 HA ASN 28 HA ASN 28 5.499 -0.206 5.962
244 HB2 ASN 28 HB2 ASN 28 5.528 2.228 4.941
245 HB3 ASN 28 HB3 ASN 28 3.822 1.915 4.655
246 HD21 ASN 28 HD21 ASN 28 5.093 3.868 6.382
247 HD22 ASN 28 HD22 ASN 28 4.501 3.561 7.980
248 H THR 29 H THR 29 3.443 0.101 3.064
249 HA THR 29 HA THR 29 1.135 -1.057 4.213
250 HB THR 29 HB THR 29 0.874 -1.649 1.582
251 HG1 THR 29 HG1 THR 29 2.970 -0.743 1.165
252 HG21 THR 29 HG21 THR 29 -0.702 -0.344 2.874
253 HG22 THR 29 HG22 THR 29 -0.307 0.498 1.375
254 HG23 THR 29 HG23 THR 29 0.412 1.022 2.898
255 H ASP 30 H ASP 30 3.887 -2.454 2.468
256 HA ASP 30 HA ASP 30 2.920 -5.026 2.045
257 HB2 ASP 30 HB2 ASP 30 5.722 -4.125 2.740
258 HB3 ASP 30 HB3 ASP 30 5.323 -5.775 2.282
259 H ASN 31 H ASN 31 4.480 -3.641 4.888
260 HA ASN 31 HA ASN 31 4.267 -6.065 6.402
261 HB2 ASN 31 HB2 ASN 31 5.103 -3.256 7.062
262 HB3 ASN 31 HB3 ASN 31 4.866 -4.450 8.336
263 HD21 ASN 31 HD21 ASN 31 6.802 -3.502 5.615
264 HD22 ASN 31 HD22 ASN 31 8.104 -4.604 5.912
265 H TYR 32 H TYR 32 2.257 -3.267 5.871
266 HA TYR 32 HA TYR 32 0.632 -3.594 8.193
267 HB2 TYR 32 HB2 TYR 32 0.683 -1.475 6.947
268 HB3 TYR 32 HB3 TYR 32 -0.026 -2.270 5.547
269 HD1 TYR 32 HD1 TYR 32 -0.675 -1.193 9.023
270 HD2 TYR 32 HD2 TYR 32 -2.376 -2.618 5.390
271 HE1 TYR 32 HE1 TYR 32 -2.919 -0.668 9.875
272 HE2 TYR 32 HE2 TYR 32 -4.627 -2.096 6.237
273 HH TYR 32 HH TYR 32 -5.745 -1.810 8.431
274 H ALA 33 H ALA 33 0.242 -4.545 4.795
275 HA ALA 33 HA ALA 33 -2.161 -5.982 5.150
276 HB1 ALA 33 HB1 ALA 33 -1.701 -6.935 2.962
277 HB2 ALA 33 HB2 ALA 33 -0.029 -6.379 3.052
278 HB3 ALA 33 HB3 ALA 33 -1.344 -5.206 2.965
279 H ARG 34 H ARG 34 1.230 -6.970 5.159
280 HA ARG 34 HA ARG 34 0.921 -9.715 5.518
281 HB2 ARG 34 HB2 ARG 34 3.064 -8.695 5.017
282 HB3 ARG 34 HB3 ARG 34 3.052 -7.834 6.545
283 HG2 ARG 34 HG2 ARG 34 3.143 -10.020 7.715
284 HG3 ARG 34 HG3 ARG 34 3.325 -10.801 6.140
285 HD2 ARG 34 HD2 ARG 34 5.353 -9.524 5.725
286 HD3 ARG 34 HD3 ARG 34 5.158 -8.689 7.264
287 HE ARG 34 HE ARG 34 5.338 -11.573 7.433
288 HH11 ARG 34 HH11 ARG 34 7.036 -8.514 7.567
289 HH12 ARG 34 HH12 ARG 34 8.422 -9.171 8.376
290 HH21 ARG 34 HH21 ARG 34 7.168 -12.448 8.495
291 HH22 ARG 34 HH22 ARG 34 8.502 -11.401 8.909
292 H GLU 35 H GLU 35 0.852 -7.082 7.862
293 HA GLU 35 HA GLU 35 0.928 -8.743 10.169
294 HB2 GLU 35 HB2 GLU 35 1.620 -6.369 10.180
295 HB3 GLU 35 HB3 GLU 35 -0.050 -5.892 9.904
296 HG2 GLU 35 HG2 GLU 35 -0.698 -6.839 12.040
297 HG3 GLU 35 HG3 GLU 35 0.954 -7.390 12.315
298 H ILE 36 H ILE 36 -1.719 -7.148 8.400
299 HA ILE 36 HA ILE 36 -3.689 -8.131 10.254
300 HB ILE 36 HB ILE 36 -5.361 -7.230 8.655
301 HG12 ILE 36 HG12 ILE 36 -2.919 -6.366 7.085
302 HG13 ILE 36 HG13 ILE 36 -4.100 -7.566 6.572
303 HG21 ILE 36 HG21 ILE 36 -4.758 -4.869 8.998
304 HG22 ILE 36 HG22 ILE 36 -3.127 -5.370 9.446
305 HG23 ILE 36 HG23 ILE 36 -4.502 -5.851 10.440
306 HD11 ILE 36 HD11 ILE 36 -4.478 -5.446 5.468
307 HD12 ILE 36 HD12 ILE 36 -4.636 -4.640 7.028
308 HD13 ILE 36 HD13 ILE 36 -5.829 -5.841 6.530
309 H GLY 37 H GLY 37 -2.126 -9.384 7.478
310 HA2 GLY 37 HA2 GLY 37 -2.174 -11.749 7.141
311 HA3 GLY 37 HA3 GLY 37 -3.829 -11.771 7.727
312 H GLU 38 H GLU 38 -3.063 -9.272 5.514
313 HA GLU 38 HA GLU 38 -4.646 -10.659 3.469
314 HB2 GLU 38 HB2 GLU 38 -3.941 -7.723 3.646
315 HB3 GLU 38 HB3 GLU 38 -5.072 -8.460 2.519
316 HG2 GLU 38 HG2 GLU 38 -5.379 -8.279 5.507
317 HG3 GLU 38 HG3 GLU 38 -6.248 -7.331 4.304
318 HA PRO 39 HA PRO 39 -0.689 -11.053 1.370
319 HB2 PRO 39 HB2 PRO 39 -1.539 -12.713 -0.579
320 HB3 PRO 39 HB3 PRO 39 -1.242 -13.269 1.073
321 HG2 PRO 39 HG2 PRO 39 -3.831 -12.577 -0.259
322 HG3 PRO 39 HG3 PRO 39 -3.453 -13.939 0.813
323 HD2 PRO 39 HD2 PRO 39 -4.728 -11.675 1.653
324 HD3 PRO 39 HD3 PRO 39 -3.711 -12.672 2.712
325 H VAL 40 H VAL 40 -3.726 -9.989 0.059
326 HA VAL 40 HA VAL 40 -2.346 -8.827 -2.265
327 HB VAL 40 HB VAL 40 -5.307 -9.345 -1.923
328 HG11 VAL 40 HG11 VAL 40 -5.454 -8.827 -4.308
329 HG12 VAL 40 HG12 VAL 40 -3.730 -8.456 -4.336
330 HG13 VAL 40 HG13 VAL 40 -4.832 -7.456 -3.390
331 HG21 VAL 40 HG21 VAL 40 -3.295 -10.834 -3.609
332 HG22 VAL 40 HG22 VAL 40 -5.025 -11.163 -3.507
333 HG23 VAL 40 HG23 VAL 40 -3.992 -11.420 -2.100
334 H VAL 41 H VAL 41 -1.963 -6.728 -2.140
335 HA VAL 41 HA VAL 41 -3.396 -5.081 -0.215
336 HB VAL 41 HB VAL 41 -1.164 -4.287 -2.098
337 HG11 VAL 41 HG11 VAL 41 -2.277 -2.913 0.346
338 HG12 VAL 41 HG12 VAL 41 -2.501 -2.400 -1.326
339 HG13 VAL 41 HG13 VAL 41 -0.893 -2.366 -0.601
340 HG21 VAL 41 HG21 VAL 41 0.312 -4.463 -0.141
341 HG22 VAL 41 HG22 VAL 41 -0.405 -6.018 -0.564
342 HG23 VAL 41 HG23 VAL 41 -1.032 -5.102 0.805
343 H THR 42 H THR 42 -5.397 -4.672 -0.965
344 HA THR 42 HA THR 42 -5.779 -3.730 -3.686
345 HB THR 42 HB THR 42 -8.200 -3.655 -3.008
346 HG1 THR 42 HG1 THR 42 -8.664 -4.784 -0.996
347 HG21 THR 42 HG21 THR 42 -7.232 -5.623 -4.124
348 HG22 THR 42 HG22 THR 42 -8.497 -6.077 -2.982
349 HG23 THR 42 HG23 THR 42 -6.802 -6.292 -2.548
350 H ALA 43 H ALA 43 -7.471 -1.809 -3.773
351 HA ALA 43 HA ALA 43 -6.224 0.497 -2.721
352 HB1 ALA 43 HB1 ALA 43 -8.142 1.721 -3.579
353 HB2 ALA 43 HB2 ALA 43 -9.036 0.215 -3.783
354 HB3 ALA 43 HB3 ALA 43 -7.600 0.529 -4.760
355 H ASP 44 H ASP 44 -8.847 -1.529 -1.629
356 HA ASP 44 HA ASP 44 -9.888 0.060 0.433
357 HB2 ASP 44 HB2 ASP 44 -9.622 -2.957 0.452
358 HB3 ASP 44 HB3 ASP 44 -10.786 -1.995 1.353
359 H VAL 45 H VAL 45 -7.417 -2.485 0.522
360 HA VAL 45 HA VAL 45 -6.697 -2.177 3.220
361 HB VAL 45 HB VAL 45 -4.983 -3.171 0.932
362 HG11 VAL 45 HG11 VAL 45 -3.748 -4.390 2.682
363 HG12 VAL 45 HG12 VAL 45 -4.713 -3.567 3.909
364 HG13 VAL 45 HG13 VAL 45 -3.632 -2.639 2.869
365 HG21 VAL 45 HG21 VAL 45 -5.702 -5.410 1.629
366 HG22 VAL 45 HG22 VAL 45 -7.068 -4.420 1.113
367 HG23 VAL 45 HG23 VAL 45 -6.772 -4.687 2.830
368 H PHE 46 H PHE 46 -5.389 -0.732 0.258
369 HA PHE 46 HA PHE 46 -3.216 0.585 1.444
370 HB2 PHE 46 HB2 PHE 46 -3.565 0.226 -1.019
371 HB3 PHE 46 HB3 PHE 46 -4.753 1.524 -0.984
372 HD1 PHE 46 HD1 PHE 46 -1.196 0.701 -0.664
373 HD2 PHE 46 HD2 PHE 46 -4.084 3.823 -0.832
374 HE1 PHE 46 HE1 PHE 46 0.607 2.345 -0.987
375 HE2 PHE 46 HE2 PHE 46 -2.289 5.471 -1.162
376 HZ PHE 46 HZ PHE 46 0.060 4.737 -1.238
377 H ARG 47 H ARG 47 -6.568 1.669 0.881
378 HA ARG 47 HA ARG 47 -6.223 4.286 1.851
379 HB2 ARG 47 HB2 ARG 47 -8.267 3.777 0.695
380 HB3 ARG 47 HB3 ARG 47 -8.677 2.519 1.858
381 HG2 ARG 47 HG2 ARG 47 -8.880 4.209 3.613
382 HG3 ARG 47 HG3 ARG 47 -8.485 5.467 2.448
383 HD2 ARG 47 HD2 ARG 47 -10.511 5.087 1.245
384 HD3 ARG 47 HD3 ARG 47 -10.860 3.632 2.187
385 HE ARG 47 HE ARG 47 -10.935 5.245 4.155
386 HH11 ARG 47 HH11 ARG 47 -11.890 6.173 0.904
387 HH12 ARG 47 HH12 ARG 47 -12.959 7.429 1.464
388 HH21 ARG 47 HH21 ARG 47 -12.325 6.860 4.869
389 HH22 ARG 47 HH22 ARG 47 -13.199 7.831 3.722
390 H LYS 48 H LYS 48 -7.280 1.333 3.522
391 HA LYS 48 HA LYS 48 -7.625 2.451 6.055
392 HB2 LYS 48 HB2 LYS 48 -6.744 -0.350 5.334
393 HB3 LYS 48 HB3 LYS 48 -7.313 0.150 6.921
394 HG2 LYS 48 HG2 LYS 48 -9.475 0.787 5.881
395 HG3 LYS 48 HG3 LYS 48 -8.891 0.109 4.360
396 HD2 LYS 48 HD2 LYS 48 -10.293 -1.498 5.532
397 HD3 LYS 48 HD3 LYS 48 -8.626 -2.076 5.446
398 HE2 LYS 48 HE2 LYS 48 -8.233 -1.404 7.728
399 HE3 LYS 48 HE3 LYS 48 -9.826 -0.657 7.821
400 HZ1 LYS 48 HZ1 LYS 48 -9.338 -3.562 7.412
401 HZ2 LYS 48 HZ2 LYS 48 -10.846 -2.813 7.605
402 HZ3 LYS 48 HZ3 LYS 48 -9.744 -2.838 8.890
403 H ALA 49 H ALA 49 -4.753 1.141 4.486
404 HA ALA 49 HA ALA 49 -3.048 1.213 6.719
405 HB1 ALA 49 HB1 ALA 49 -2.365 1.425 3.791
406 HB2 ALA 49 HB2 ALA 49 -2.500 -0.062 4.731
407 HB3 ALA 49 HB3 ALA 49 -1.219 1.095 5.090
408 H LYS 50 H LYS 50 -3.374 3.573 4.038
409 HA LYS 50 HA LYS 50 -1.394 5.297 5.036
410 HB2 LYS 50 HB2 LYS 50 -2.309 6.990 3.494
411 HB3 LYS 50 HB3 LYS 50 -2.076 5.431 2.720
412 HG2 LYS 50 HG2 LYS 50 -4.413 4.982 2.747
413 HG3 LYS 50 HG3 LYS 50 -4.729 6.384 3.769
414 HD2 LYS 50 HD2 LYS 50 -4.019 7.872 1.972
415 HD3 LYS 50 HD3 LYS 50 -3.644 6.479 0.954
416 HE2 LYS 50 HE2 LYS 50 -5.968 5.819 0.931
417 HE3 LYS 50 HE3 LYS 50 -6.377 7.106 2.063
418 HZ1 LYS 50 HZ1 LYS 50 -5.939 8.742 0.443
419 HZ2 LYS 50 HZ2 LYS 50 -6.877 7.569 -0.329
420 HZ3 LYS 50 HZ3 LYS 50 -5.205 7.634 -0.611
421 H GLU 51 H GLU 51 -4.890 5.285 5.529
422 HA GLU 51 HA GLU 51 -4.830 7.748 6.992
423 HB2 GLU 51 HB2 GLU 51 -7.009 5.713 6.521
424 HB3 GLU 51 HB3 GLU 51 -7.246 7.196 7.442
425 HG2 GLU 51 HG2 GLU 51 -6.571 8.512 5.487
426 HG3 GLU 51 HG3 GLU 51 -6.362 7.026 4.569
427 H HIS 52 H HIS 52 -4.724 4.342 7.798
428 HA HIS 52 HA HIS 52 -5.031 4.601 10.601
429 HB2 HIS 52 HB2 HIS 52 -5.088 2.432 9.398
430 HB3 HIS 52 HB3 HIS 52 -3.370 2.589 9.061
431 HD1 HIS 52 HD1 HIS 52 -5.794 1.809 11.794
432 HD2 HIS 52 HD2 HIS 52 -1.679 1.954 11.196
433 HE1 HIS 52 HE1 HIS 52 -4.773 0.674 13.800
434 HE2 HIS 52 HE2 HIS 52 -2.279 0.863 13.464
435 H LEU 53 H LEU 53 -2.244 4.829 8.443
436 HA LEU 53 HA LEU 53 -0.319 5.283 10.493
437 HB2 LEU 53 HB2 LEU 53 -0.242 6.071 7.576
438 HB3 LEU 53 HB3 LEU 53 1.130 6.065 8.666
439 HG LEU 53 HG LEU 53 -0.432 3.612 7.858
440 HD11 LEU 53 HD11 LEU 53 1.531 3.054 6.514
441 HD12 LEU 53 HD12 LEU 53 2.254 4.607 6.931
442 HD13 LEU 53 HD13 LEU 53 0.777 4.553 5.972
443 HD21 LEU 53 HD21 LEU 53 0.596 3.416 10.060
444 HD22 LEU 53 HD22 LEU 53 2.149 3.914 9.389
445 HD23 LEU 53 HD23 LEU 53 1.418 2.389 8.885
446 H GLY 54 H GLY 54 -2.466 7.324 8.634
447 HA2 GLY 54 HA2 GLY 54 -3.318 9.375 9.419
448 HA3 GLY 54 HA3 GLY 54 -1.946 9.508 10.510
449 H GLY 55 H GLY 55 0.073 8.985 8.565
450 HA2 GLY 55 HA2 GLY 55 1.296 10.019 6.905
451 HA3 GLY 55 HA3 GLY 55 -0.168 10.863 6.415
452 H LEU 56 H LEU 56 -0.857 12.662 7.817
453 HA LEU 56 HA LEU 56 1.037 13.931 9.525
454 HB2 LEU 56 HB2 LEU 56 2.042 14.262 7.234
455 HB3 LEU 56 HB3 LEU 56 0.636 15.225 6.827
456 HG LEU 56 HG LEU 56 1.229 16.825 8.611
457 HD11 LEU 56 HD11 LEU 56 3.381 16.683 9.721
458 HD12 LEU 56 HD12 LEU 56 3.723 15.157 8.907
459 HD13 LEU 56 HD13 LEU 56 2.411 15.255 10.082
460 HD21 LEU 56 HD21 LEU 56 3.205 17.773 7.505
461 HD22 LEU 56 HD22 LEU 56 1.998 17.232 6.341
462 HD23 LEU 56 HD23 LEU 56 3.437 16.257 6.634
463 H GLU 57 H GLU 57 -1.942 13.667 7.983
464 HA GLU 57 HA GLU 57 -3.972 14.587 8.226
465 HB2 GLU 57 HB2 GLU 57 -2.719 15.016 10.881
466 HB3 GLU 57 HB3 GLU 57 -4.228 15.856 10.550
467 HG2 GLU 57 HG2 GLU 57 -3.849 12.889 10.234
468 HG3 GLU 57 HG3 GLU 57 -4.493 13.661 11.683
469 H HIS 58 H HIS 58 -3.551 15.984 6.483
470 HA HIS 58 HA HIS 58 -3.981 18.758 7.287
471 HB2 HIS 58 HB2 HIS 58 -1.881 17.792 5.381
472 HB3 HIS 58 HB3 HIS 58 -2.689 19.322 5.051
473 HD1 HIS 58 HD1 HIS 58 0.380 18.877 5.895
474 HD2 HIS 58 HD2 HIS 58 -2.712 20.268 8.297
475 HE1 HIS 58 HE1 HIS 58 1.486 20.204 7.718
476 HE2 HIS 58 HE2 HIS 58 -0.417 21.220 9.017
477 H HIS 59 H HIS 59 -6.101 18.699 6.856
478 HA HIS 59 HA HIS 59 -8.063 18.612 5.723
479 HB2 HIS 59 HB2 HIS 59 -6.254 18.959 3.324
480 HB3 HIS 59 HB3 HIS 59 -8.011 19.019 3.248
481 HD1 HIS 59 HD1 HIS 59 -5.072 21.090 3.843
482 HD2 HIS 59 HD2 HIS 59 -9.126 21.243 4.775
483 HE1 HIS 59 HE1 HIS 59 -5.529 23.476 4.490
484 HE2 HIS 59 HE2 HIS 59 -8.021 23.583 4.895
485 H HIS 60 H HIS 60 -8.187 16.405 6.506
486 HA HIS 60 HA HIS 60 -7.475 14.145 5.014
487 HB2 HIS 60 HB2 HIS 60 -8.518 14.461 7.448
488 HB3 HIS 60 HB3 HIS 60 -10.016 14.134 6.585
489 HD1 HIS 60 HD1 HIS 60 -6.975 12.520 7.935
490 HD2 HIS 60 HD2 HIS 60 -10.184 11.504 5.471
491 HE1 HIS 60 HE1 HIS 60 -6.956 10.005 7.778
492 HE2 HIS 60 HE2 HIS 60 -8.948 9.399 6.348
493 H HIS 61 H HIS 61 -8.116 13.599 3.027
494 HA HIS 61 HA HIS 61 -10.216 15.145 1.793
495 HB2 HIS 61 HB2 HIS 61 -8.299 13.087 0.702
496 HB3 HIS 61 HB3 HIS 61 -9.511 13.894 -0.281
497 HD1 HIS 61 HD1 HIS 61 -6.189 14.057 -0.173
498 HD2 HIS 61 HD2 HIS 61 -9.023 16.970 0.674
499 HE1 HIS 61 HE1 HIS 61 -5.015 16.251 -0.504
500 HE2 HIS 61 HE2 HIS 61 -6.819 17.988 -0.223
501 H HIS 62 H HIS 62 -11.743 14.125 0.305
502 HA HIS 62 HA HIS 62 -12.992 11.736 1.428
503 HB2 HIS 62 HB2 HIS 62 -14.357 13.735 0.766
504 HB3 HIS 62 HB3 HIS 62 -13.841 13.496 -0.897
505 HD1 HIS 62 HD1 HIS 62 -16.374 12.469 1.545
506 HD2 HIS 62 HD2 HIS 62 -14.926 11.107 -2.112
507 HE1 HIS 62 HE1 HIS 62 -18.077 10.816 0.707
508 HE2 HIS 62 HE2 HIS 62 -17.263 10.138 -1.580
509 H HIS 63 H HIS 63 -10.892 12.779 -1.008
510 HA HIS 63 HA HIS 63 -10.496 10.084 -1.954
511 HB2 HIS 63 HB2 HIS 63 -10.519 10.921 -4.383
512 HB3 HIS 63 HB3 HIS 63 -12.078 10.651 -3.614
513 HD1 HIS 63 HD1 HIS 63 -9.753 13.484 -4.571
514 HD2 HIS 63 HD2 HIS 63 -13.729 12.838 -3.552
515 HE1 HIS 63 HE1 HIS 63 -10.927 15.666 -4.998
516 HE2 HIS 63 HE2 HIS 63 -13.277 15.309 -4.164
Start of MODEL 17
1 H1 MET 1 H1 MET 1 8.197 -14.546 -3.222
2 H2 MET 1 H2 MET 1 9.773 -13.919 -3.289
3 H3 MET 1 H3 MET 1 8.441 -12.871 -3.336
4 HA MET 1 HA MET 1 7.818 -13.546 -1.100
5 HB2 MET 1 HB2 MET 1 10.443 -15.044 -1.245
6 HB3 MET 1 HB3 MET 1 9.552 -14.747 0.241
7 HG2 MET 1 HG2 MET 1 7.660 -16.023 -0.646
8 HG3 MET 1 HG3 MET 1 8.574 -16.337 -2.121
9 HE1 MET 1 HE1 MET 1 8.151 -18.945 -1.835
10 HE2 MET 1 HE2 MET 1 7.226 -18.619 -0.371
11 HE3 MET 1 HE3 MET 1 8.506 -19.833 -0.355
12 H GLY 2 H GLY 2 8.210 -11.953 0.311
13 HA2 GLY 2 HA2 GLY 2 10.037 -10.435 1.227
14 HA3 GLY 2 HA3 GLY 2 10.359 -10.083 -0.469
15 H GLU 3 H GLU 3 7.657 -10.146 -1.330
16 HA GLU 3 HA GLU 3 6.503 -7.840 0.092
17 HB2 GLU 3 HB2 GLU 3 5.936 -8.350 -2.812
18 HB3 GLU 3 HB3 GLU 3 5.805 -6.851 -1.910
19 HG2 GLU 3 HG2 GLU 3 7.630 -6.459 -3.248
20 HG3 GLU 3 HG3 GLU 3 8.389 -7.018 -1.756
21 H LEU 4 H LEU 4 4.037 -7.699 -0.763
22 HA LEU 4 HA LEU 4 2.905 -10.364 -0.287
23 HB2 LEU 4 HB2 LEU 4 1.706 -7.606 -0.213
24 HB3 LEU 4 HB3 LEU 4 0.758 -9.069 -0.045
25 HG LEU 4 HG LEU 4 2.966 -8.187 1.813
26 HD11 LEU 4 HD11 LEU 4 1.140 -7.877 3.417
27 HD12 LEU 4 HD12 LEU 4 -0.028 -8.252 2.148
28 HD13 LEU 4 HD13 LEU 4 0.983 -6.812 2.020
29 HD21 LEU 4 HD21 LEU 4 2.802 -10.624 1.627
30 HD22 LEU 4 HD22 LEU 4 1.079 -10.532 1.991
31 HD23 LEU 4 HD23 LEU 4 2.264 -10.053 3.206
32 H SER 5 H SER 5 1.036 -7.981 -1.927
33 HA SER 5 HA SER 5 1.559 -8.804 -4.595
34 HB2 SER 5 HB2 SER 5 0.284 -10.799 -3.665
35 HB3 SER 5 HB3 SER 5 -1.095 -9.720 -3.458
36 HG SER 5 HG SER 5 0.224 -10.380 -5.892
37 H TRP 6 H TRP 6 1.410 -6.833 -5.433
38 HA TRP 6 HA TRP 6 -0.608 -4.996 -4.385
39 HB2 TRP 6 HB2 TRP 6 1.951 -4.610 -5.909
40 HB3 TRP 6 HB3 TRP 6 0.769 -3.311 -5.766
41 HD1 TRP 6 HD1 TRP 6 2.870 -5.606 -3.451
42 HE1 TRP 6 HE1 TRP 6 3.359 -4.305 -1.275
43 HE3 TRP 6 HE3 TRP 6 0.188 -1.376 -4.444
44 HZ2 TRP 6 HZ2 TRP 6 2.679 -1.801 -0.150
45 HZ3 TRP 6 HZ3 TRP 6 0.159 0.429 -2.771
46 HH2 TRP 6 HH2 TRP 6 1.378 0.221 -0.671
47 H THR 7 H THR 7 -2.370 -4.547 -5.435
48 HA THR 7 HA THR 7 -2.876 -5.580 -8.063
49 HB THR 7 HB THR 7 -5.082 -4.384 -7.784
50 HG1 THR 7 HG1 THR 7 -4.205 -3.947 -5.105
51 HG21 THR 7 HG21 THR 7 -5.913 -5.911 -6.053
52 HG22 THR 7 HG22 THR 7 -4.254 -6.253 -5.561
53 HG23 THR 7 HG23 THR 7 -4.814 -6.733 -7.163
54 H ALA 8 H ALA 8 -3.842 -4.160 -9.774
55 HA ALA 8 HA ALA 8 -2.073 -2.085 -10.499
56 HB1 ALA 8 HB1 ALA 8 -4.840 -2.659 -11.565
57 HB2 ALA 8 HB2 ALA 8 -3.340 -3.386 -12.141
58 HB3 ALA 8 HB3 ALA 8 -3.616 -1.656 -12.342
59 H GLU 9 H GLU 9 -5.216 -2.113 -8.951
60 HA GLU 9 HA GLU 9 -5.805 0.615 -9.026
61 HB2 GLU 9 HB2 GLU 9 -6.508 -1.411 -6.897
62 HB3 GLU 9 HB3 GLU 9 -7.273 0.161 -7.100
63 HG2 GLU 9 HG2 GLU 9 -7.318 -2.114 -9.070
64 HG3 GLU 9 HG3 GLU 9 -8.649 -1.592 -8.038
65 H ALA 10 H ALA 10 -3.918 -1.269 -6.712
66 HA ALA 10 HA ALA 10 -3.500 0.822 -4.854
67 HB1 ALA 10 HB1 ALA 10 -1.804 -1.621 -5.370
68 HB2 ALA 10 HB2 ALA 10 -3.208 -1.552 -4.303
69 HB3 ALA 10 HB3 ALA 10 -1.766 -0.610 -3.926
70 H GLU 11 H GLU 11 -1.588 -0.394 -7.579
71 HA GLU 11 HA GLU 11 0.618 1.324 -7.265
72 HB2 GLU 11 HB2 GLU 11 -0.486 -0.039 -9.725
73 HB3 GLU 11 HB3 GLU 11 1.051 0.810 -9.684
74 HG2 GLU 11 HG2 GLU 11 0.387 -1.496 -7.881
75 HG3 GLU 11 HG3 GLU 11 1.173 -1.676 -9.446
76 H LYS 12 H LYS 12 -2.474 1.748 -8.872
77 HA LYS 12 HA LYS 12 -1.870 4.056 -10.347
78 HB2 LYS 12 HB2 LYS 12 -4.465 3.087 -9.154
79 HB3 LYS 12 HB3 LYS 12 -4.355 4.500 -10.198
80 HG2 LYS 12 HG2 LYS 12 -3.565 3.159 -12.024
81 HG3 LYS 12 HG3 LYS 12 -3.470 1.735 -10.984
82 HD2 LYS 12 HD2 LYS 12 -5.918 1.861 -10.652
83 HD3 LYS 12 HD3 LYS 12 -5.974 3.220 -11.779
84 HE2 LYS 12 HE2 LYS 12 -5.102 1.825 -13.552
85 HE3 LYS 12 HE3 LYS 12 -4.941 0.466 -12.441
86 HZ1 LYS 12 HZ1 LYS 12 -7.488 1.764 -13.251
87 HZ2 LYS 12 HZ2 LYS 12 -7.345 0.481 -12.142
88 HZ3 LYS 12 HZ3 LYS 12 -6.922 0.249 -13.770
89 H MET 13 H MET 13 -3.069 3.690 -7.021
90 HA MET 13 HA MET 13 -3.081 6.541 -6.607
91 HB2 MET 13 HB2 MET 13 -3.393 4.262 -4.652
92 HB3 MET 13 HB3 MET 13 -3.529 5.960 -4.220
93 HG2 MET 13 HG2 MET 13 -5.362 6.088 -5.984
94 HG3 MET 13 HG3 MET 13 -5.340 4.325 -5.962
95 HE1 MET 13 HE1 MET 13 -4.566 3.940 -2.802
96 HE2 MET 13 HE2 MET 13 -5.715 2.915 -3.662
97 HE3 MET 13 HE3 MET 13 -6.177 3.669 -2.137
98 H LEU 14 H LEU 14 -0.883 3.894 -6.058
99 HA LEU 14 HA LEU 14 0.869 5.241 -4.280
100 HB2 LEU 14 HB2 LEU 14 0.775 2.762 -4.678
101 HB3 LEU 14 HB3 LEU 14 1.559 3.036 -6.221
102 HG LEU 14 HG LEU 14 3.530 3.943 -5.056
103 HD11 LEU 14 HD11 LEU 14 2.476 4.826 -3.069
104 HD12 LEU 14 HD12 LEU 14 3.710 3.651 -2.613
105 HD13 LEU 14 HD13 LEU 14 2.004 3.203 -2.562
106 HD21 LEU 14 HD21 LEU 14 2.648 1.220 -4.105
107 HD22 LEU 14 HD22 LEU 14 4.307 1.823 -4.100
108 HD23 LEU 14 HD23 LEU 14 3.460 1.583 -5.629
109 H GLY 15 H GLY 15 0.484 5.203 -7.754
110 HA2 GLY 15 HA2 GLY 15 2.928 6.469 -8.436
111 HA3 GLY 15 HA3 GLY 15 1.467 6.458 -9.412
112 H LYS 16 H LYS 16 0.036 7.657 -7.008
113 HA LYS 16 HA LYS 16 0.425 10.418 -7.679
114 HB2 LYS 16 HB2 LYS 16 -1.232 9.056 -5.548
115 HB3 LYS 16 HB3 LYS 16 -1.259 10.789 -5.846
116 HG2 LYS 16 HG2 LYS 16 -1.968 8.713 -7.909
117 HG3 LYS 16 HG3 LYS 16 -3.142 9.534 -6.877
118 HD2 LYS 16 HD2 LYS 16 -1.239 10.921 -8.767
119 HD3 LYS 16 HD3 LYS 16 -2.931 10.563 -9.124
120 HE2 LYS 16 HE2 LYS 16 -3.654 11.976 -7.302
121 HE3 LYS 16 HE3 LYS 16 -1.985 12.248 -6.805
122 HZ1 LYS 16 HZ1 LYS 16 -1.591 13.351 -8.940
123 HZ2 LYS 16 HZ2 LYS 16 -2.803 14.127 -8.042
124 HZ3 LYS 16 HZ3 LYS 16 -3.226 13.140 -9.356
125 H VAL 17 H VAL 17 1.801 8.241 -5.502
126 HA VAL 17 HA VAL 17 2.709 10.265 -3.617
127 HB VAL 17 HB VAL 17 3.189 7.279 -3.714
128 HG11 VAL 17 HG11 VAL 17 4.998 8.410 -2.546
129 HG12 VAL 17 HG12 VAL 17 3.989 7.519 -1.406
130 HG13 VAL 17 HG13 VAL 17 3.831 9.270 -1.542
131 HG21 VAL 17 HG21 VAL 17 0.858 7.834 -3.311
132 HG22 VAL 17 HG22 VAL 17 1.327 8.910 -1.994
133 HG23 VAL 17 HG23 VAL 17 1.601 7.173 -1.856
134 HA PRO 18 HA PRO 18 6.328 11.161 -6.049
135 HB2 PRO 18 HB2 PRO 18 7.476 11.814 -3.385
136 HB3 PRO 18 HB3 PRO 18 7.405 12.796 -4.853
137 HG2 PRO 18 HG2 PRO 18 5.781 13.299 -2.800
138 HG3 PRO 18 HG3 PRO 18 5.208 13.441 -4.472
139 HD2 PRO 18 HD2 PRO 18 4.698 11.287 -2.469
140 HD3 PRO 18 HD3 PRO 18 3.615 11.964 -3.704
141 H PHE 19 H PHE 19 8.167 10.136 -6.623
142 HA PHE 19 HA PHE 19 8.706 7.540 -5.925
143 HB2 PHE 19 HB2 PHE 19 10.264 9.675 -7.268
144 HB3 PHE 19 HB3 PHE 19 11.149 8.249 -6.745
145 HD1 PHE 19 HD2 PHE 19 10.637 6.064 -7.668
146 HD2 PHE 19 HD1 PHE 19 8.714 9.581 -9.081
147 HE1 PHE 19 HE2 PHE 19 9.906 4.848 -9.680
148 HE2 PHE 19 HE1 PHE 19 7.977 8.375 -11.097
149 HZ PHE 19 HZ PHE 19 8.574 6.006 -11.397
150 H PHE 20 H PHE 20 9.905 10.424 -4.349
151 HA PHE 20 HA PHE 20 12.121 9.364 -3.035
152 HB2 PHE 20 HB2 PHE 20 10.283 11.494 -1.936
153 HB3 PHE 20 HB3 PHE 20 11.978 11.251 -1.535
154 HD1 PHE 20 HD2 PHE 20 13.702 11.630 -3.339
155 HD2 PHE 20 HD1 PHE 20 9.641 12.836 -3.714
156 HE1 PHE 20 HE2 PHE 20 14.340 13.200 -5.127
157 HE2 PHE 20 HE1 PHE 20 10.266 14.408 -5.504
158 HZ PHE 20 HZ PHE 20 12.619 14.591 -6.213
159 H VAL 21 H VAL 21 8.713 9.221 -2.227
160 HA VAL 21 HA VAL 21 9.412 7.681 0.186
161 HB VAL 21 HB VAL 21 7.339 8.524 1.241
162 HG11 VAL 21 HG11 VAL 21 9.249 10.680 0.345
163 HG12 VAL 21 HG12 VAL 21 9.485 9.586 1.710
164 HG13 VAL 21 HG13 VAL 21 8.174 10.764 1.743
165 HG21 VAL 21 HG21 VAL 21 6.196 10.471 0.287
166 HG22 VAL 21 HG22 VAL 21 6.080 9.069 -0.778
167 HG23 VAL 21 HG23 VAL 21 7.217 10.366 -1.148
168 H ARG 22 H ARG 22 8.170 7.408 -2.818
169 HA ARG 22 HA ARG 22 5.757 6.018 -2.478
170 HB2 ARG 22 HB2 ARG 22 6.472 6.908 -4.642
171 HB3 ARG 22 HB3 ARG 22 7.803 5.761 -4.689
172 HG2 ARG 22 HG2 ARG 22 6.232 3.912 -4.790
173 HG3 ARG 22 HG3 ARG 22 4.878 5.041 -4.693
174 HD2 ARG 22 HD2 ARG 22 6.936 4.913 -6.895
175 HD3 ARG 22 HD3 ARG 22 5.273 4.333 -6.993
176 HE ARG 22 HE ARG 22 5.166 7.014 -6.255
177 HH11 ARG 22 HH11 ARG 22 6.126 5.079 -9.021
178 HH12 ARG 22 HH12 ARG 22 5.876 6.375 -10.155
179 HH21 ARG 22 HH21 ARG 22 4.825 8.692 -7.748
180 HH22 ARG 22 HH22 ARG 22 5.144 8.423 -9.436
181 H LYS 23 H LYS 23 9.073 4.813 -2.829
182 HA LYS 23 HA LYS 23 8.410 2.074 -2.575
183 HB2 LYS 23 HB2 LYS 23 10.531 2.908 -3.554
184 HB3 LYS 23 HB3 LYS 23 11.019 3.479 -1.965
185 HG2 LYS 23 HG2 LYS 23 11.009 1.185 -1.134
186 HG3 LYS 23 HG3 LYS 23 10.526 0.613 -2.734
187 HD2 LYS 23 HD2 LYS 23 12.598 1.553 -3.673
188 HD3 LYS 23 HD3 LYS 23 13.079 2.071 -2.056
189 HE2 LYS 23 HE2 LYS 23 13.088 -0.253 -1.308
190 HE3 LYS 23 HE3 LYS 23 12.579 -0.778 -2.912
191 HZ1 LYS 23 HZ1 LYS 23 14.933 -1.057 -2.675
192 HZ2 LYS 23 HZ2 LYS 23 15.137 0.561 -2.220
193 HZ3 LYS 23 HZ3 LYS 23 14.643 0.179 -3.799
194 H LYS 24 H LYS 24 9.438 4.552 -0.305
195 HA LYS 24 HA LYS 24 9.681 3.048 2.019
196 HB2 LYS 24 HB2 LYS 24 10.350 5.406 1.806
197 HB3 LYS 24 HB3 LYS 24 8.662 5.880 1.703
198 HG2 LYS 24 HG2 LYS 24 8.315 4.998 3.984
199 HG3 LYS 24 HG3 LYS 24 10.047 4.658 4.076
200 HD2 LYS 24 HD2 LYS 24 10.488 7.064 3.644
201 HD3 LYS 24 HD3 LYS 24 8.748 7.356 3.699
202 HE2 LYS 24 HE2 LYS 24 9.754 7.915 5.826
203 HE3 LYS 24 HE3 LYS 24 8.700 6.514 6.004
204 HZ1 LYS 24 HZ1 LYS 24 10.883 6.348 7.162
205 HZ2 LYS 24 HZ2 LYS 24 11.638 6.310 5.641
206 HZ3 LYS 24 HZ3 LYS 24 10.562 5.078 6.086
207 H VAL 25 H VAL 25 6.817 4.775 0.786
208 HA VAL 25 HA VAL 25 5.080 3.926 2.845
209 HB VAL 25 HB VAL 25 4.416 4.862 0.044
210 HG11 VAL 25 HG11 VAL 25 2.565 3.574 1.003
211 HG12 VAL 25 HG12 VAL 25 2.162 5.288 0.902
212 HG13 VAL 25 HG13 VAL 25 2.614 4.580 2.451
213 HG21 VAL 25 HG21 VAL 25 3.916 7.000 1.151
214 HG22 VAL 25 HG22 VAL 25 5.604 6.531 1.357
215 HG23 VAL 25 HG23 VAL 25 4.463 6.321 2.685
216 H ARG 26 H ARG 26 5.718 2.629 -0.413
217 HA ARG 26 HA ARG 26 3.777 0.634 -0.451
218 HB2 ARG 26 HB2 ARG 26 5.161 1.194 -2.410
219 HB3 ARG 26 HB3 ARG 26 6.570 0.498 -1.615
220 HG2 ARG 26 HG2 ARG 26 5.478 -1.687 -1.591
221 HG3 ARG 26 HG3 ARG 26 4.072 -0.994 -2.396
222 HD2 ARG 26 HD2 ARG 26 5.603 -0.349 -4.281
223 HD3 ARG 26 HD3 ARG 26 6.859 -1.305 -3.491
224 HE ARG 26 HE ARG 26 4.495 -2.832 -3.799
225 HH11 ARG 26 HH11 ARG 26 7.264 -1.640 -5.598
226 HH12 ARG 26 HH12 ARG 26 7.123 -2.844 -6.844
227 HH21 ARG 26 HH21 ARG 26 4.332 -4.424 -5.411
228 HH22 ARG 26 HH22 ARG 26 5.449 -4.434 -6.740
229 H LYS 27 H LYS 27 7.129 0.445 0.645
230 HA LYS 27 HA LYS 27 7.175 -2.200 1.477
231 HB2 LYS 27 HB2 LYS 27 9.202 -0.999 1.231
232 HB3 LYS 27 HB3 LYS 27 8.687 0.248 2.353
233 HG2 LYS 27 HG2 LYS 27 8.971 -1.201 4.215
234 HG3 LYS 27 HG3 LYS 27 9.221 -2.597 3.162
235 HD2 LYS 27 HD2 LYS 27 11.322 -1.848 2.466
236 HD3 LYS 27 HD3 LYS 27 11.005 -0.194 2.992
237 HE2 LYS 27 HE2 LYS 27 11.266 -2.536 4.866
238 HE3 LYS 27 HE3 LYS 27 12.603 -1.467 4.437
239 HZ1 LYS 27 HZ1 LYS 27 11.218 0.401 5.275
240 HZ2 LYS 27 HZ2 LYS 27 11.688 -0.703 6.469
241 HZ3 LYS 27 HZ3 LYS 27 10.102 -0.737 5.863
242 H ASN 28 H ASN 28 5.904 0.635 3.106
243 HA ASN 28 HA ASN 28 5.682 -0.636 5.665
244 HB2 ASN 28 HB2 ASN 28 4.585 1.935 4.546
245 HB3 ASN 28 HB3 ASN 28 4.138 1.355 6.147
246 HD21 ASN 28 HD21 ASN 28 5.529 3.764 5.472
247 HD22 ASN 28 HD22 ASN 28 7.064 3.695 6.264
248 H THR 29 H THR 29 3.650 -0.327 2.843
249 HA THR 29 HA THR 29 1.241 -1.095 4.190
250 HB THR 29 HB THR 29 1.388 -1.582 1.301
251 HG1 THR 29 HG1 THR 29 2.662 0.232 1.248
252 HG21 THR 29 HG21 THR 29 -0.433 0.076 3.034
253 HG22 THR 29 HG22 THR 29 -0.711 -1.598 2.552
254 HG23 THR 29 HG23 THR 29 -0.702 -0.320 1.337
255 H ASP 30 H ASP 30 3.721 -2.777 2.281
256 HA ASP 30 HA ASP 30 2.497 -5.304 2.202
257 HB2 ASP 30 HB2 ASP 30 5.412 -4.513 2.274
258 HB3 ASP 30 HB3 ASP 30 4.895 -6.191 2.166
259 H ASN 31 H ASN 31 4.377 -3.688 4.673
260 HA ASN 31 HA ASN 31 4.285 -5.905 6.489
261 HB2 ASN 31 HB2 ASN 31 5.127 -3.033 6.729
262 HB3 ASN 31 HB3 ASN 31 4.972 -4.045 8.161
263 HD21 ASN 31 HD21 ASN 31 6.750 -3.501 5.206
264 HD22 ASN 31 HD22 ASN 31 8.078 -4.542 5.595
265 H TYR 32 H TYR 32 2.210 -3.266 5.672
266 HA TYR 32 HA TYR 32 0.685 -3.284 8.088
267 HB2 TYR 32 HB2 TYR 32 0.609 -1.294 6.749
268 HB3 TYR 32 HB3 TYR 32 0.083 -2.198 5.328
269 HD1 TYR 32 HD1 TYR 32 -0.982 -1.376 8.810
270 HD2 TYR 32 HD2 TYR 32 -2.198 -2.338 4.845
271 HE1 TYR 32 HE1 TYR 32 -3.326 -1.011 9.446
272 HE2 TYR 32 HE2 TYR 32 -4.550 -1.968 5.478
273 HH TYR 32 HH TYR 32 -5.918 -2.023 7.584
274 H ALA 33 H ALA 33 0.039 -4.522 4.815
275 HA ALA 33 HA ALA 33 -2.441 -5.683 5.513
276 HB1 ALA 33 HB1 ALA 33 -1.825 -5.056 3.217
277 HB2 ALA 33 HB2 ALA 33 -2.369 -6.731 3.336
278 HB3 ALA 33 HB3 ALA 33 -0.648 -6.372 3.190
279 H ARG 34 H ARG 34 0.847 -6.970 5.364
280 HA ARG 34 HA ARG 34 0.195 -9.674 5.821
281 HB2 ARG 34 HB2 ARG 34 2.403 -8.767 5.028
282 HB3 ARG 34 HB3 ARG 34 2.714 -8.232 6.672
283 HG2 ARG 34 HG2 ARG 34 2.875 -10.433 7.472
284 HG3 ARG 34 HG3 ARG 34 2.144 -11.102 6.010
285 HD2 ARG 34 HD2 ARG 34 4.098 -10.302 4.719
286 HD3 ARG 34 HD3 ARG 34 4.832 -9.755 6.223
287 HE ARG 34 HE ARG 34 5.141 -12.004 6.865
288 HH11 ARG 34 HH11 ARG 34 3.711 -11.698 3.695
289 HH12 ARG 34 HH12 ARG 34 4.233 -13.259 3.151
290 HH21 ARG 34 HH21 ARG 34 5.856 -14.067 6.170
291 HH22 ARG 34 HH22 ARG 34 5.449 -14.627 4.571
292 H GLU 35 H GLU 35 0.585 -6.930 7.932
293 HA GLU 35 HA GLU 35 0.691 -8.239 10.427
294 HB2 GLU 35 HB2 GLU 35 1.277 -5.885 10.130
295 HB3 GLU 35 HB3 GLU 35 -0.372 -5.510 9.661
296 HG2 GLU 35 HG2 GLU 35 -0.215 -4.784 11.858
297 HG3 GLU 35 HG3 GLU 35 -1.035 -6.340 11.977
298 H ILE 36 H ILE 36 -2.027 -6.942 8.538
299 HA ILE 36 HA ILE 36 -3.922 -7.753 10.568
300 HB ILE 36 HB ILE 36 -5.632 -6.749 9.122
301 HG12 ILE 36 HG12 ILE 36 -3.321 -6.199 7.242
302 HG13 ILE 36 HG13 ILE 36 -4.663 -7.296 6.936
303 HG21 ILE 36 HG21 ILE 36 -4.824 -4.437 9.256
304 HG22 ILE 36 HG22 ILE 36 -3.187 -5.034 9.530
305 HG23 ILE 36 HG23 ILE 36 -4.455 -5.355 10.715
306 HD11 ILE 36 HD11 ILE 36 -4.952 -5.207 5.747
307 HD12 ILE 36 HD12 ILE 36 -4.857 -4.311 7.265
308 HD13 ILE 36 HD13 ILE 36 -6.209 -5.406 6.969
309 H GLY 37 H GLY 37 -2.627 -9.096 7.686
310 HA2 GLY 37 HA2 GLY 37 -2.918 -11.436 7.245
311 HA3 GLY 37 HA3 GLY 37 -4.524 -11.331 7.951
312 H GLU 38 H GLU 38 -3.182 -9.079 5.632
313 HA GLU 38 HA GLU 38 -5.269 -9.879 3.719
314 HB2 GLU 38 HB2 GLU 38 -5.294 -7.536 4.663
315 HB3 GLU 38 HB3 GLU 38 -3.759 -7.263 3.852
316 HG2 GLU 38 HG2 GLU 38 -5.476 -6.338 2.505
317 HG3 GLU 38 HG3 GLU 38 -4.878 -7.789 1.699
318 HA PRO 39 HA PRO 39 -1.581 -11.329 1.548
319 HB2 PRO 39 HB2 PRO 39 -3.388 -12.733 -0.225
320 HB3 PRO 39 HB3 PRO 39 -2.290 -13.399 0.984
321 HG2 PRO 39 HG2 PRO 39 -5.012 -13.479 1.203
322 HG3 PRO 39 HG3 PRO 39 -3.912 -13.487 2.592
323 HD2 PRO 39 HD2 PRO 39 -5.486 -11.223 1.430
324 HD3 PRO 39 HD3 PRO 39 -5.172 -11.622 3.133
325 H VAL 40 H VAL 40 -4.333 -9.660 0.260
326 HA VAL 40 HA VAL 40 -2.803 -9.002 -2.176
327 HB VAL 40 HB VAL 40 -5.814 -9.236 -1.966
328 HG11 VAL 40 HG11 VAL 40 -5.772 -8.969 -4.403
329 HG12 VAL 40 HG12 VAL 40 -4.028 -8.713 -4.340
330 HG13 VAL 40 HG13 VAL 40 -5.119 -7.556 -3.576
331 HG21 VAL 40 HG21 VAL 40 -3.801 -11.066 -3.266
332 HG22 VAL 40 HG22 VAL 40 -5.550 -11.193 -3.446
333 HG23 VAL 40 HG23 VAL 40 -4.807 -11.429 -1.863
334 H VAL 41 H VAL 41 -2.194 -6.962 -2.153
335 HA VAL 41 HA VAL 41 -3.513 -5.057 -0.412
336 HB VAL 41 HB VAL 41 -1.150 -4.613 -2.247
337 HG11 VAL 41 HG11 VAL 41 -2.189 -3.019 0.093
338 HG12 VAL 41 HG12 VAL 41 -2.232 -2.545 -1.605
339 HG13 VAL 41 HG13 VAL 41 -0.685 -2.697 -0.772
340 HG21 VAL 41 HG21 VAL 41 0.253 -4.918 -0.271
341 HG22 VAL 41 HG22 VAL 41 -0.664 -6.379 -0.632
342 HG23 VAL 41 HG23 VAL 41 -1.171 -5.323 0.685
343 H THR 42 H THR 42 -5.388 -4.338 -1.208
344 HA THR 42 HA THR 42 -5.548 -3.471 -3.998
345 HB THR 42 HB THR 42 -7.973 -3.242 -3.574
346 HG1 THR 42 HG1 THR 42 -8.794 -3.434 -1.601
347 HG21 THR 42 HG21 THR 42 -7.120 -5.387 -4.373
348 HG22 THR 42 HG22 THR 42 -8.489 -5.623 -3.286
349 HG23 THR 42 HG23 THR 42 -6.846 -5.908 -2.710
350 H ALA 43 H ALA 43 -7.210 -1.434 -4.073
351 HA ALA 43 HA ALA 43 -5.808 0.801 -3.108
352 HB1 ALA 43 HB1 ALA 43 -8.679 0.628 -4.013
353 HB2 ALA 43 HB2 ALA 43 -7.280 0.880 -5.057
354 HB3 ALA 43 HB3 ALA 43 -7.723 2.103 -3.867
355 H ASP 44 H ASP 44 -8.467 -1.054 -1.801
356 HA ASP 44 HA ASP 44 -9.304 0.755 0.205
357 HB2 ASP 44 HB2 ASP 44 -9.422 -2.230 0.580
358 HB3 ASP 44 HB3 ASP 44 -10.598 -1.010 1.053
359 H VAL 45 H VAL 45 -6.908 -1.830 0.126
360 HA VAL 45 HA VAL 45 -6.249 -1.872 2.856
361 HB VAL 45 HB VAL 45 -4.452 -2.508 0.505
362 HG11 VAL 45 HG11 VAL 45 -3.257 -3.946 2.106
363 HG12 VAL 45 HG12 VAL 45 -4.282 -3.329 3.403
364 HG13 VAL 45 HG13 VAL 45 -3.182 -2.242 2.552
365 HG21 VAL 45 HG21 VAL 45 -6.281 -4.300 2.099
366 HG22 VAL 45 HG22 VAL 45 -5.163 -4.826 0.842
367 HG23 VAL 45 HG23 VAL 45 -6.523 -3.784 0.429
368 H PHE 46 H PHE 46 -4.937 -0.023 0.143
369 HA PHE 46 HA PHE 46 -2.878 1.272 1.567
370 HB2 PHE 46 HB2 PHE 46 -3.046 1.161 -0.920
371 HB3 PHE 46 HB3 PHE 46 -4.398 2.287 -0.850
372 HD1 PHE 46 HD1 PHE 46 -0.784 1.917 -0.163
373 HD2 PHE 46 HD2 PHE 46 -4.039 4.605 -0.707
374 HE1 PHE 46 HE1 PHE 46 0.792 3.799 -0.277
375 HE2 PHE 46 HE2 PHE 46 -2.465 6.494 -0.821
376 HZ PHE 46 HZ PHE 46 -0.045 6.091 -0.609
377 H ARG 47 H ARG 47 -6.269 2.034 1.045
378 HA ARG 47 HA ARG 47 -6.288 4.631 2.140
379 HB2 ARG 47 HB2 ARG 47 -8.130 3.544 0.792
380 HB3 ARG 47 HB3 ARG 47 -8.545 2.617 2.226
381 HG2 ARG 47 HG2 ARG 47 -10.032 4.437 2.159
382 HG3 ARG 47 HG3 ARG 47 -8.849 4.814 3.417
383 HD2 ARG 47 HD2 ARG 47 -7.596 6.165 1.756
384 HD3 ARG 47 HD3 ARG 47 -8.891 5.870 0.595
385 HE ARG 47 HE ARG 47 -9.846 6.996 3.057
386 HH11 ARG 47 HH11 ARG 47 -8.410 7.774 -0.056
387 HH12 ARG 47 HH12 ARG 47 -9.000 9.409 -0.053
388 HH21 ARG 47 HH21 ARG 47 -10.614 9.141 3.046
389 HH22 ARG 47 HH22 ARG 47 -10.239 10.190 1.717
390 H LYS 48 H LYS 48 -6.896 1.457 3.569
391 HA LYS 48 HA LYS 48 -7.447 2.439 6.183
392 HB2 LYS 48 HB2 LYS 48 -6.786 -0.314 5.138
393 HB3 LYS 48 HB3 LYS 48 -7.172 0.007 6.823
394 HG2 LYS 48 HG2 LYS 48 -9.367 0.812 6.204
395 HG3 LYS 48 HG3 LYS 48 -8.989 0.601 4.494
396 HD2 LYS 48 HD2 LYS 48 -8.939 -1.670 6.471
397 HD3 LYS 48 HD3 LYS 48 -10.389 -1.217 5.573
398 HE2 LYS 48 HE2 LYS 48 -9.110 -1.538 3.463
399 HE3 LYS 48 HE3 LYS 48 -7.753 -2.126 4.420
400 HZ1 LYS 48 HZ1 LYS 48 -10.443 -3.361 4.554
401 HZ2 LYS 48 HZ2 LYS 48 -8.970 -4.004 5.097
402 HZ3 LYS 48 HZ3 LYS 48 -9.270 -3.865 3.438
403 H ALA 49 H ALA 49 -4.555 1.363 4.534
404 HA ALA 49 HA ALA 49 -2.851 0.918 6.684
405 HB1 ALA 49 HB1 ALA 49 -2.281 0.381 4.365
406 HB2 ALA 49 HB2 ALA 49 -1.021 1.345 5.138
407 HB3 ALA 49 HB3 ALA 49 -2.139 2.103 4.004
408 H LYS 50 H LYS 50 -3.765 3.927 5.111
409 HA LYS 50 HA LYS 50 -1.881 5.655 6.182
410 HB2 LYS 50 HB2 LYS 50 -4.788 6.191 5.551
411 HB3 LYS 50 HB3 LYS 50 -3.572 7.434 5.819
412 HG2 LYS 50 HG2 LYS 50 -3.409 5.359 3.644
413 HG3 LYS 50 HG3 LYS 50 -4.080 6.975 3.424
414 HD2 LYS 50 HD2 LYS 50 -1.286 6.479 4.437
415 HD3 LYS 50 HD3 LYS 50 -1.669 6.682 2.726
416 HE2 LYS 50 HE2 LYS 50 -2.556 8.892 3.159
417 HE3 LYS 50 HE3 LYS 50 -2.288 8.687 4.890
418 HZ1 LYS 50 HZ1 LYS 50 -0.092 8.588 2.894
419 HZ2 LYS 50 HZ2 LYS 50 0.035 8.718 4.585
420 HZ3 LYS 50 HZ3 LYS 50 -0.569 10.014 3.682
421 H GLU 51 H GLU 51 -4.955 4.570 7.569
422 HA GLU 51 HA GLU 51 -4.935 6.321 9.792
423 HB2 GLU 51 HB2 GLU 51 -6.258 3.611 9.611
424 HB3 GLU 51 HB3 GLU 51 -6.695 4.924 10.694
425 HG2 GLU 51 HG2 GLU 51 -7.375 6.277 8.775
426 HG3 GLU 51 HG3 GLU 51 -6.934 4.954 7.695
427 H HIS 52 H HIS 52 -3.615 3.114 9.257
428 HA HIS 52 HA HIS 52 -2.985 2.705 12.044
429 HB2 HIS 52 HB2 HIS 52 -3.595 0.819 10.564
430 HB3 HIS 52 HB3 HIS 52 -2.140 1.103 9.620
431 HD1 HIS 52 HD1 HIS 52 -3.311 -0.237 12.913
432 HD2 HIS 52 HD2 HIS 52 0.220 0.120 10.740
433 HE1 HIS 52 HE1 HIS 52 -1.632 -1.696 14.093
434 HE2 HIS 52 HE2 HIS 52 0.535 -1.334 12.856
435 H LEU 53 H LEU 53 -1.249 3.631 9.114
436 HA LEU 53 HA LEU 53 1.338 3.419 10.346
437 HB2 LEU 53 HB2 LEU 53 0.488 4.742 7.768
438 HB3 LEU 53 HB3 LEU 53 2.149 4.492 8.267
439 HG LEU 53 HG LEU 53 0.150 2.305 7.696
440 HD11 LEU 53 HD11 LEU 53 1.515 1.868 5.720
441 HD12 LEU 53 HD12 LEU 53 2.527 3.260 6.105
442 HD13 LEU 53 HD13 LEU 53 0.832 3.493 5.680
443 HD21 LEU 53 HD21 LEU 53 3.089 2.166 8.362
444 HD22 LEU 53 HD22 LEU 53 2.082 0.804 7.871
445 HD23 LEU 53 HD23 LEU 53 1.760 1.637 9.391
446 H GLY 54 H GLY 54 -0.834 6.098 9.507
447 HA2 GLY 54 HA2 GLY 54 -0.339 7.734 11.616
448 HA3 GLY 54 HA3 GLY 54 0.994 8.082 10.524
449 H GLY 55 H GLY 55 -2.442 8.310 11.033
450 HA2 GLY 55 HA2 GLY 55 -2.829 10.708 9.789
451 HA3 GLY 55 HA3 GLY 55 -2.982 9.535 8.490
452 H LEU 56 H LEU 56 -4.129 9.980 11.838
453 HA LEU 56 HA LEU 56 -6.543 8.537 11.410
454 HB2 LEU 56 HB2 LEU 56 -5.842 10.563 13.537
455 HB3 LEU 56 HB3 LEU 56 -7.269 9.546 13.557
456 HG LEU 56 HG LEU 56 -4.416 8.566 13.694
457 HD11 LEU 56 HD11 LEU 56 -5.072 9.686 15.734
458 HD12 LEU 56 HD12 LEU 56 -5.009 7.943 15.996
459 HD13 LEU 56 HD13 LEU 56 -6.563 8.750 15.798
460 HD21 LEU 56 HD21 LEU 56 -5.436 6.384 14.186
461 HD22 LEU 56 HD22 LEU 56 -5.844 6.957 12.569
462 HD23 LEU 56 HD23 LEU 56 -7.030 7.071 13.868
463 H GLU 57 H GLU 57 -5.770 11.988 11.563
464 HA GLU 57 HA GLU 57 -8.003 12.480 9.754
465 HB2 GLU 57 HB2 GLU 57 -8.849 14.316 10.981
466 HB3 GLU 57 HB3 GLU 57 -8.648 13.031 12.157
467 HG2 GLU 57 HG2 GLU 57 -7.770 14.731 13.354
468 HG3 GLU 57 HG3 GLU 57 -6.306 14.248 12.499
469 H HIS 58 H HIS 58 -7.711 14.761 8.745
470 HA HIS 58 HA HIS 58 -4.824 15.001 8.252
471 HB2 HIS 58 HB2 HIS 58 -7.115 14.934 6.350
472 HB3 HIS 58 HB3 HIS 58 -5.678 15.858 5.921
473 HD1 HIS 58 HD1 HIS 58 -6.878 12.349 6.501
474 HD2 HIS 58 HD2 HIS 58 -3.406 14.347 5.364
475 HE1 HIS 58 HE1 HIS 58 -5.306 10.569 5.663
476 HE2 HIS 58 HE2 HIS 58 -3.145 11.786 5.210
477 H HIS 59 H HIS 59 -4.462 16.622 9.662
478 HA HIS 59 HA HIS 59 -3.952 18.753 10.160
479 HB2 HIS 59 HB2 HIS 59 -3.283 18.598 7.718
480 HB3 HIS 59 HB3 HIS 59 -4.781 19.444 7.349
481 HD1 HIS 59 HD1 HIS 59 -1.355 19.958 8.739
482 HD2 HIS 59 HD2 HIS 59 -4.814 22.167 8.047
483 HE1 HIS 59 HE1 HIS 59 -0.689 22.372 9.000
484 HE2 HIS 59 HE2 HIS 59 -2.823 23.683 8.693
485 H HIS 60 H HIS 60 -6.132 18.378 11.396
486 HA HIS 60 HA HIS 60 -7.319 21.035 11.257
487 HB2 HIS 60 HB2 HIS 60 -8.852 18.549 10.761
488 HB3 HIS 60 HB3 HIS 60 -9.587 19.692 11.879
489 HD1 HIS 60 HD1 HIS 60 -10.564 18.925 8.925
490 HD2 HIS 60 HD2 HIS 60 -8.619 22.405 10.098
491 HE1 HIS 60 HE1 HIS 60 -11.187 20.656 7.212
492 HE2 HIS 60 HE2 HIS 60 -10.168 22.803 8.061
493 H HIS 61 H HIS 61 -6.433 18.178 12.955
494 HA HIS 61 HA HIS 61 -6.078 17.732 15.148
495 HB2 HIS 61 HB2 HIS 61 -6.362 20.727 15.347
496 HB3 HIS 61 HB3 HIS 61 -6.074 19.724 16.765
497 HD1 HIS 61 HD1 HIS 61 -3.701 19.290 17.309
498 HD2 HIS 61 HD2 HIS 61 -4.215 20.413 13.336
499 HE1 HIS 61 HE1 HIS 61 -1.382 19.466 16.345
500 HE2 HIS 61 HE2 HIS 61 -1.717 20.060 13.916
501 H HIS 62 H HIS 62 -8.723 17.662 13.944
502 HA HIS 62 HA HIS 62 -10.541 18.338 16.098
503 HB2 HIS 62 HB2 HIS 62 -11.288 18.694 13.802
504 HB3 HIS 62 HB3 HIS 62 -11.022 16.995 13.427
505 HD1 HIS 62 HD1 HIS 62 -13.356 19.277 15.284
506 HD2 HIS 62 HD2 HIS 62 -13.047 15.270 14.219
507 HE1 HIS 62 HE1 HIS 62 -15.589 18.255 15.832
508 HE2 HIS 62 HE2 HIS 62 -15.276 15.785 15.419
509 H HIS 63 H HIS 63 -10.707 17.040 17.777
510 HA HIS 63 HA HIS 63 -11.098 14.193 17.341
511 HB2 HIS 63 HB2 HIS 63 -8.646 14.508 17.744
512 HB3 HIS 63 HB3 HIS 63 -9.036 15.198 19.316
513 HD1 HIS 63 HD1 HIS 63 -8.981 11.953 17.446
514 HD2 HIS 63 HD2 HIS 63 -9.749 13.354 21.286
515 HE1 HIS 63 HE1 HIS 63 -9.087 9.907 18.910
516 HE2 HIS 63 HE2 HIS 63 -9.790 10.773 21.170
Start of MODEL 18
1 H1 MET 1 H1 MET 1 4.209 -13.262 -3.766
2 H2 MET 1 H2 MET 1 5.481 -12.323 -3.156
3 H3 MET 1 H3 MET 1 4.010 -12.406 -2.316
4 HA MET 1 HA MET 1 4.334 -14.712 -1.836
5 HB2 MET 1 HB2 MET 1 5.612 -15.211 -3.919
6 HB3 MET 1 HB3 MET 1 7.003 -14.384 -3.227
7 HG2 MET 1 HG2 MET 1 7.100 -16.016 -1.429
8 HG3 MET 1 HG3 MET 1 5.682 -16.835 -2.083
9 HE1 MET 1 HE1 MET 1 6.852 -19.156 -2.200
10 HE2 MET 1 HE2 MET 1 8.257 -18.424 -1.427
11 HE3 MET 1 HE3 MET 1 8.463 -19.411 -2.873
12 H GLY 2 H GLY 2 7.586 -13.281 -1.925
13 HA2 GLY 2 HA2 GLY 2 7.703 -13.153 0.946
14 HA3 GLY 2 HA3 GLY 2 8.924 -12.557 -0.176
15 H GLU 3 H GLU 3 7.158 -10.935 -1.694
16 HA GLU 3 HA GLU 3 6.408 -8.862 0.256
17 HB2 GLU 3 HB2 GLU 3 7.291 -8.577 -2.628
18 HB3 GLU 3 HB3 GLU 3 6.747 -7.251 -1.607
19 HG2 GLU 3 HG2 GLU 3 8.623 -7.476 -0.170
20 HG3 GLU 3 HG3 GLU 3 9.102 -8.992 -0.928
21 H LEU 4 H LEU 4 4.346 -8.139 0.207
22 HA LEU 4 HA LEU 4 2.408 -9.857 -0.890
23 HB2 LEU 4 HB2 LEU 4 2.038 -7.058 0.157
24 HB3 LEU 4 HB3 LEU 4 0.769 -8.240 -0.077
25 HG LEU 4 HG LEU 4 3.037 -8.443 1.905
26 HD11 LEU 4 HD11 LEU 4 0.087 -7.963 2.259
27 HD12 LEU 4 HD12 LEU 4 1.390 -6.817 2.574
28 HD13 LEU 4 HD13 LEU 4 1.228 -8.268 3.565
29 HD21 LEU 4 HD21 LEU 4 1.882 -10.446 2.712
30 HD22 LEU 4 HD22 LEU 4 2.440 -10.637 1.052
31 HD23 LEU 4 HD23 LEU 4 0.738 -10.317 1.374
32 H SER 5 H SER 5 0.835 -9.526 -2.458
33 HA SER 5 HA SER 5 1.844 -8.217 -4.801
34 HB2 SER 5 HB2 SER 5 -0.766 -9.676 -4.331
35 HB3 SER 5 HB3 SER 5 -0.110 -9.214 -5.903
36 HG SER 5 HG SER 5 1.786 -10.524 -5.248
37 H TRP 6 H TRP 6 1.626 -6.097 -5.025
38 HA TRP 6 HA TRP 6 -0.691 -4.672 -4.037
39 HB2 TRP 6 HB2 TRP 6 1.791 -3.848 -5.544
40 HB3 TRP 6 HB3 TRP 6 0.459 -2.731 -5.276
41 HD1 TRP 6 HD1 TRP 6 2.451 -5.116 -2.911
42 HE1 TRP 6 HE1 TRP 6 3.070 -3.768 -0.804
43 HE3 TRP 6 HE3 TRP 6 0.371 -0.622 -4.179
44 HZ2 TRP 6 HZ2 TRP 6 2.728 -1.155 0.177
45 HZ3 TRP 6 HZ3 TRP 6 0.568 1.251 -2.601
46 HH2 TRP 6 HH2 TRP 6 1.722 0.989 -0.465
47 H THR 7 H THR 7 -2.379 -3.903 -5.278
48 HA THR 7 HA THR 7 -2.530 -4.995 -7.984
49 HB THR 7 HB THR 7 -4.927 -4.445 -7.887
50 HG1 THR 7 HG1 THR 7 -5.815 -3.572 -6.005
51 HG21 THR 7 HG21 THR 7 -5.554 -6.030 -6.111
52 HG22 THR 7 HG22 THR 7 -3.913 -5.945 -5.475
53 HG23 THR 7 HG23 THR 7 -4.201 -6.618 -7.077
54 H ALA 8 H ALA 8 -3.708 -3.581 -9.617
55 HA ALA 8 HA ALA 8 -2.256 -1.227 -10.094
56 HB1 ALA 8 HB1 ALA 8 -4.931 -2.010 -11.253
57 HB2 ALA 8 HB2 ALA 8 -3.359 -2.531 -11.863
58 HB3 ALA 8 HB3 ALA 8 -3.805 -0.826 -11.921
59 H GLU 9 H GLU 9 -5.239 -1.832 -8.413
60 HA GLU 9 HA GLU 9 -6.278 0.747 -8.153
61 HB2 GLU 9 HB2 GLU 9 -6.218 -1.336 -5.970
62 HB3 GLU 9 HB3 GLU 9 -7.404 -0.060 -6.192
63 HG2 GLU 9 HG2 GLU 9 -8.387 -1.147 -8.019
64 HG3 GLU 9 HG3 GLU 9 -7.019 -2.249 -8.198
65 H ALA 10 H ALA 10 -4.043 -1.017 -6.045
66 HA ALA 10 HA ALA 10 -3.676 1.071 -4.188
67 HB1 ALA 10 HB1 ALA 10 -1.875 -1.276 -4.762
68 HB2 ALA 10 HB2 ALA 10 -3.253 -1.282 -3.662
69 HB3 ALA 10 HB3 ALA 10 -1.850 -0.273 -3.311
70 H GLU 11 H GLU 11 -1.760 0.008 -6.984
71 HA GLU 11 HA GLU 11 0.333 1.871 -6.578
72 HB2 GLU 11 HB2 GLU 11 -0.533 0.352 -9.028
73 HB3 GLU 11 HB3 GLU 11 0.879 1.398 -8.998
74 HG2 GLU 11 HG2 GLU 11 1.646 -0.011 -7.006
75 HG3 GLU 11 HG3 GLU 11 0.413 -1.162 -7.521
76 H LYS 12 H LYS 12 -2.732 2.079 -8.272
77 HA LYS 12 HA LYS 12 -2.224 4.477 -9.664
78 HB2 LYS 12 HB2 LYS 12 -4.140 3.106 -10.220
79 HB3 LYS 12 HB3 LYS 12 -4.819 3.333 -8.617
80 HG2 LYS 12 HG2 LYS 12 -5.284 5.625 -9.051
81 HG3 LYS 12 HG3 LYS 12 -4.365 5.585 -10.558
82 HD2 LYS 12 HD2 LYS 12 -6.803 5.509 -10.935
83 HD3 LYS 12 HD3 LYS 12 -5.978 4.074 -11.543
84 HE2 LYS 12 HE2 LYS 12 -7.965 3.354 -10.448
85 HE3 LYS 12 HE3 LYS 12 -6.602 2.911 -9.423
86 HZ1 LYS 12 HZ1 LYS 12 -8.481 5.174 -9.035
87 HZ2 LYS 12 HZ2 LYS 12 -7.066 4.973 -8.130
88 HZ3 LYS 12 HZ3 LYS 12 -8.295 3.805 -8.050
89 H MET 13 H MET 13 -3.396 3.842 -6.398
90 HA MET 13 HA MET 13 -3.728 6.638 -5.782
91 HB2 MET 13 HB2 MET 13 -3.740 4.181 -4.021
92 HB3 MET 13 HB3 MET 13 -4.093 5.808 -3.457
93 HG2 MET 13 HG2 MET 13 -5.990 5.908 -5.022
94 HG3 MET 13 HG3 MET 13 -5.658 4.241 -5.491
95 HE1 MET 13 HE1 MET 13 -4.789 2.961 -2.699
96 HE2 MET 13 HE2 MET 13 -5.878 2.174 -3.840
97 HE3 MET 13 HE3 MET 13 -6.335 2.320 -2.144
98 H LEU 14 H LEU 14 -1.229 4.258 -5.545
99 HA LEU 14 HA LEU 14 0.430 5.716 -3.718
100 HB2 LEU 14 HB2 LEU 14 0.519 3.255 -3.990
101 HB3 LEU 14 HB3 LEU 14 1.123 3.474 -5.620
102 HG LEU 14 HG LEU 14 3.150 4.560 -4.706
103 HD11 LEU 14 HD11 LEU 14 1.950 3.805 -2.047
104 HD12 LEU 14 HD12 LEU 14 2.252 5.438 -2.640
105 HD13 LEU 14 HD13 LEU 14 3.604 4.360 -2.295
106 HD21 LEU 14 HD21 LEU 14 3.159 2.180 -5.210
107 HD22 LEU 14 HD22 LEU 14 2.550 1.822 -3.594
108 HD23 LEU 14 HD23 LEU 14 4.154 2.525 -3.795
109 H GLY 15 H GLY 15 -0.185 5.768 -7.092
110 HA2 GLY 15 HA2 GLY 15 2.228 6.872 -8.039
111 HA3 GLY 15 HA3 GLY 15 0.662 7.006 -8.823
112 H LYS 16 H LYS 16 -0.365 8.279 -6.253
113 HA LYS 16 HA LYS 16 0.175 11.000 -6.954
114 HB2 LYS 16 HB2 LYS 16 -1.251 9.798 -4.574
115 HB3 LYS 16 HB3 LYS 16 -1.162 11.523 -4.903
116 HG2 LYS 16 HG2 LYS 16 -2.317 11.121 -7.060
117 HG3 LYS 16 HG3 LYS 16 -2.499 9.427 -6.595
118 HD2 LYS 16 HD2 LYS 16 -3.766 10.095 -4.618
119 HD3 LYS 16 HD3 LYS 16 -3.570 11.792 -5.056
120 HE2 LYS 16 HE2 LYS 16 -5.043 9.691 -6.635
121 HE3 LYS 16 HE3 LYS 16 -5.774 10.985 -5.689
122 HZ1 LYS 16 HZ1 LYS 16 -4.224 11.204 -8.202
123 HZ2 LYS 16 HZ2 LYS 16 -4.495 12.540 -7.205
124 HZ3 LYS 16 HZ3 LYS 16 -5.810 11.718 -7.895
125 H VAL 17 H VAL 17 1.620 8.683 -4.919
126 HA VAL 17 HA VAL 17 2.898 10.638 -3.180
127 HB VAL 17 HB VAL 17 3.148 7.625 -3.264
128 HG11 VAL 17 HG11 VAL 17 5.102 8.677 -2.257
129 HG12 VAL 17 HG12 VAL 17 4.148 7.832 -1.042
130 HG13 VAL 17 HG13 VAL 17 4.060 9.588 -1.166
131 HG21 VAL 17 HG21 VAL 17 1.692 7.620 -1.310
132 HG22 VAL 17 HG22 VAL 17 0.886 8.355 -2.694
133 HG23 VAL 17 HG23 VAL 17 1.536 9.373 -1.410
134 HA PRO 18 HA PRO 18 6.373 11.162 -5.942
135 HB2 PRO 18 HB2 PRO 18 7.738 11.690 -3.342
136 HB3 PRO 18 HB3 PRO 18 7.741 12.645 -4.832
137 HG2 PRO 18 HG2 PRO 18 6.282 13.411 -2.749
138 HG3 PRO 18 HG3 PRO 18 5.657 13.570 -4.400
139 HD2 PRO 18 HD2 PRO 18 4.969 11.568 -2.292
140 HD3 PRO 18 HD3 PRO 18 3.928 12.320 -3.517
141 H PHE 19 H PHE 19 7.950 9.855 -6.658
142 HA PHE 19 HA PHE 19 8.099 7.229 -5.725
143 HB2 PHE 19 HB2 PHE 19 9.792 6.849 -7.382
144 HB3 PHE 19 HB3 PHE 19 8.612 7.968 -8.052
145 HD1 PHE 19 HD2 PHE 19 9.194 10.382 -8.264
146 HD2 PHE 19 HD1 PHE 19 12.065 7.449 -7.126
147 HE1 PHE 19 HE2 PHE 19 11.009 11.940 -8.836
148 HE2 PHE 19 HE1 PHE 19 13.884 9.005 -7.696
149 HZ PHE 19 HZ PHE 19 13.357 11.254 -8.551
150 H PHE 20 H PHE 20 9.757 9.978 -4.599
151 HA PHE 20 HA PHE 20 12.175 8.932 -3.674
152 HB2 PHE 20 HB2 PHE 20 10.472 11.025 -2.304
153 HB3 PHE 20 HB3 PHE 20 12.200 10.784 -2.094
154 HD1 PHE 20 HD2 PHE 20 13.724 11.233 -4.045
155 HD2 PHE 20 HD1 PHE 20 9.628 12.373 -3.996
156 HE1 PHE 20 HE2 PHE 20 14.154 12.839 -5.860
157 HE2 PHE 20 HE1 PHE 20 10.046 13.982 -5.811
158 HZ PHE 20 HZ PHE 20 12.314 14.217 -6.746
159 H VAL 21 H VAL 21 8.963 8.970 -2.205
160 HA VAL 21 HA VAL 21 9.992 7.230 -0.064
161 HB VAL 21 HB VAL 21 8.182 8.046 1.368
162 HG11 VAL 21 HG11 VAL 21 9.763 10.315 0.167
163 HG12 VAL 21 HG12 VAL 21 10.367 9.174 1.371
164 HG13 VAL 21 HG13 VAL 21 9.045 10.269 1.779
165 HG21 VAL 21 HG21 VAL 21 6.805 9.946 0.696
166 HG22 VAL 21 HG22 VAL 21 6.538 8.562 -0.363
167 HG23 VAL 21 HG23 VAL 21 7.531 9.912 -0.911
168 H ARG 22 H ARG 22 8.101 7.311 -2.791
169 HA ARG 22 HA ARG 22 5.853 5.792 -2.233
170 HB2 ARG 22 HB2 ARG 22 6.193 6.865 -4.377
171 HB3 ARG 22 HB3 ARG 22 7.580 5.836 -4.711
172 HG2 ARG 22 HG2 ARG 22 6.085 3.879 -4.737
173 HG3 ARG 22 HG3 ARG 22 4.710 4.955 -4.482
174 HD2 ARG 22 HD2 ARG 22 6.589 4.981 -6.838
175 HD3 ARG 22 HD3 ARG 22 4.922 4.409 -6.835
176 HE ARG 22 HE ARG 22 4.858 7.029 -5.944
177 HH11 ARG 22 HH11 ARG 22 5.757 5.308 -8.862
178 HH12 ARG 22 HH12 ARG 22 5.420 6.660 -9.908
179 HH21 ARG 22 HH21 ARG 22 4.416 8.791 -7.296
180 HH22 ARG 22 HH22 ARG 22 4.675 8.658 -9.014
181 H LYS 23 H LYS 23 9.071 4.694 -3.192
182 HA LYS 23 HA LYS 23 8.521 1.935 -3.172
183 HB2 LYS 23 HB2 LYS 23 10.469 2.993 -4.274
184 HB3 LYS 23 HB3 LYS 23 11.148 3.353 -2.695
185 HG2 LYS 23 HG2 LYS 23 11.330 0.974 -2.214
186 HG3 LYS 23 HG3 LYS 23 10.617 0.598 -3.786
187 HD2 LYS 23 HD2 LYS 23 13.192 2.119 -3.356
188 HD3 LYS 23 HD3 LYS 23 13.075 0.414 -3.799
189 HE2 LYS 23 HE2 LYS 23 11.978 0.999 -5.881
190 HE3 LYS 23 HE3 LYS 23 11.973 2.704 -5.428
191 HZ1 LYS 23 HZ1 LYS 23 13.774 2.036 -6.992
192 HZ2 LYS 23 HZ2 LYS 23 14.452 1.107 -5.748
193 HZ3 LYS 23 HZ3 LYS 23 14.324 2.788 -5.577
194 H LYS 24 H LYS 24 9.435 4.194 -0.675
195 HA LYS 24 HA LYS 24 10.152 2.257 1.289
196 HB2 LYS 24 HB2 LYS 24 10.875 4.681 1.222
197 HB3 LYS 24 HB3 LYS 24 9.254 5.104 1.751
198 HG2 LYS 24 HG2 LYS 24 9.580 3.834 3.800
199 HG3 LYS 24 HG3 LYS 24 11.200 3.377 3.267
200 HD2 LYS 24 HD2 LYS 24 11.785 5.797 3.173
201 HD3 LYS 24 HD3 LYS 24 10.203 6.162 3.865
202 HE2 LYS 24 HE2 LYS 24 11.847 6.161 5.622
203 HE3 LYS 24 HE3 LYS 24 10.783 4.772 5.824
204 HZ1 LYS 24 HZ1 LYS 24 12.918 3.950 4.240
205 HZ2 LYS 24 HZ2 LYS 24 12.569 3.494 5.839
206 HZ3 LYS 24 HZ3 LYS 24 13.580 4.821 5.538
207 H VAL 25 H VAL 25 7.242 4.186 0.637
208 HA VAL 25 HA VAL 25 5.663 3.274 2.762
209 HB VAL 25 HB VAL 25 4.770 4.111 -0.009
210 HG11 VAL 25 HG11 VAL 25 3.185 3.926 2.553
211 HG12 VAL 25 HG12 VAL 25 3.024 2.860 1.158
212 HG13 VAL 25 HG13 VAL 25 2.597 4.565 1.017
213 HG21 VAL 25 HG21 VAL 25 5.045 5.688 2.548
214 HG22 VAL 25 HG22 VAL 25 4.331 6.290 1.052
215 HG23 VAL 25 HG23 VAL 25 6.040 5.854 1.102
216 H ARG 26 H ARG 26 6.270 1.906 -0.426
217 HA ARG 26 HA ARG 26 4.349 -0.124 -0.408
218 HB2 ARG 26 HB2 ARG 26 5.637 0.472 -2.402
219 HB3 ARG 26 HB3 ARG 26 7.107 -0.132 -1.651
220 HG2 ARG 26 HG2 ARG 26 6.155 -2.381 -1.599
221 HG3 ARG 26 HG3 ARG 26 4.688 -1.774 -2.369
222 HD2 ARG 26 HD2 ARG 26 7.456 -1.641 -3.555
223 HD3 ARG 26 HD3 ARG 26 6.238 -2.850 -3.958
224 HE ARG 26 HE ARG 26 5.243 -0.214 -4.328
225 HH11 ARG 26 HH11 ARG 26 7.312 -2.639 -5.754
226 HH12 ARG 26 HH12 ARG 26 7.069 -2.086 -7.379
227 HH21 ARG 26 HH21 ARG 26 4.911 0.528 -6.488
228 HH22 ARG 26 HH22 ARG 26 5.718 -0.280 -7.796
229 H LYS 27 H LYS 27 7.649 -0.072 0.849
230 HA LYS 27 HA LYS 27 7.709 -2.768 1.719
231 HB2 LYS 27 HB2 LYS 27 9.730 -1.405 1.351
232 HB3 LYS 27 HB3 LYS 27 9.281 -0.380 2.706
233 HG2 LYS 27 HG2 LYS 27 9.476 -2.337 4.201
234 HG3 LYS 27 HG3 LYS 27 10.038 -3.292 2.825
235 HD2 LYS 27 HD2 LYS 27 11.935 -1.784 2.543
236 HD3 LYS 27 HD3 LYS 27 11.361 -0.795 3.886
237 HE2 LYS 27 HE2 LYS 27 11.628 -2.711 5.395
238 HE3 LYS 27 HE3 LYS 27 12.239 -3.678 4.052
239 HZ1 LYS 27 HZ1 LYS 27 14.074 -2.827 5.315
240 HZ2 LYS 27 HZ2 LYS 27 13.493 -1.238 5.196
241 HZ3 LYS 27 HZ3 LYS 27 14.052 -2.041 3.813
242 H ASN 28 H ASN 28 6.526 0.194 3.138
243 HA ASN 28 HA ASN 28 6.428 -0.796 5.831
244 HB2 ASN 28 HB2 ASN 28 5.159 1.637 4.546
245 HB3 ASN 28 HB3 ASN 28 5.069 1.270 6.265
246 HD21 ASN 28 HD21 ASN 28 6.240 3.564 4.880
247 HD22 ASN 28 HD22 ASN 28 7.896 3.621 5.393
248 H THR 29 H THR 29 4.223 -0.484 3.142
249 HA THR 29 HA THR 29 1.918 -1.296 4.640
250 HB THR 29 HB THR 29 2.118 -1.406 1.662
251 HG1 THR 29 HG1 THR 29 2.885 0.629 2.047
252 HG21 THR 29 HG21 THR 29 -0.218 -0.758 1.769
253 HG22 THR 29 HG22 THR 29 -0.106 -0.614 3.523
254 HG23 THR 29 HG23 THR 29 0.067 -2.194 2.757
255 H ASP 30 H ASP 30 4.352 -2.890 2.661
256 HA ASP 30 HA ASP 30 3.150 -5.386 2.319
257 HB2 ASP 30 HB2 ASP 30 5.268 -4.967 1.269
258 HB3 ASP 30 HB3 ASP 30 6.040 -4.645 2.818
259 H ASN 31 H ASN 31 4.976 -4.091 5.030
260 HA ASN 31 HA ASN 31 4.534 -6.384 6.678
261 HB2 ASN 31 HB2 ASN 31 5.621 -3.626 7.206
262 HB3 ASN 31 HB3 ASN 31 5.390 -4.803 8.499
263 HD21 ASN 31 HD21 ASN 31 7.200 -3.990 5.645
264 HD22 ASN 31 HD22 ASN 31 8.458 -5.160 5.867
265 H TYR 32 H TYR 32 2.773 -3.499 5.942
266 HA TYR 32 HA TYR 32 1.233 -3.441 8.360
267 HB2 TYR 32 HB2 TYR 32 1.479 -1.390 7.136
268 HB3 TYR 32 HB3 TYR 32 0.822 -2.115 5.671
269 HD1 TYR 32 HD1 TYR 32 -0.067 -1.157 9.151
270 HD2 TYR 32 HD2 TYR 32 -1.479 -2.021 5.233
271 HE1 TYR 32 HE1 TYR 32 -2.316 -0.407 9.804
272 HE2 TYR 32 HE2 TYR 32 -3.733 -1.275 5.874
273 HH TYR 32 HH TYR 32 -5.069 -1.026 7.921
274 H ALA 33 H ALA 33 0.475 -4.426 5.019
275 HA ALA 33 HA ALA 33 -2.162 -5.257 5.598
276 HB1 ALA 33 HB1 ALA 33 -1.366 -4.646 3.347
277 HB2 ALA 33 HB2 ALA 33 -2.164 -6.217 3.382
278 HB3 ALA 33 HB3 ALA 33 -0.405 -6.123 3.308
279 H ARG 34 H ARG 34 0.916 -6.895 5.703
280 HA ARG 34 HA ARG 34 -0.013 -9.543 5.837
281 HB2 ARG 34 HB2 ARG 34 2.330 -8.908 5.407
282 HB3 ARG 34 HB3 ARG 34 2.477 -8.344 7.063
283 HG2 ARG 34 HG2 ARG 34 2.290 -10.544 7.922
284 HG3 ARG 34 HG3 ARG 34 1.795 -11.184 6.352
285 HD2 ARG 34 HD2 ARG 34 4.476 -9.917 6.909
286 HD3 ARG 34 HD3 ARG 34 4.173 -11.654 6.942
287 HE ARG 34 HE ARG 34 3.692 -11.542 4.574
288 HH11 ARG 34 HH11 ARG 34 5.319 -8.777 5.971
289 HH12 ARG 34 HH12 ARG 34 5.844 -8.149 4.432
290 HH21 ARG 34 HH21 ARG 34 4.427 -10.752 2.563
291 HH22 ARG 34 HH22 ARG 34 5.324 -9.257 2.497
292 H GLU 35 H GLU 35 0.154 -7.008 8.211
293 HA GLU 35 HA GLU 35 -0.156 -8.708 10.495
294 HB2 GLU 35 HB2 GLU 35 -0.596 -5.736 10.182
295 HB3 GLU 35 HB3 GLU 35 -0.589 -6.597 11.714
296 HG2 GLU 35 HG2 GLU 35 1.731 -6.399 9.812
297 HG3 GLU 35 HG3 GLU 35 1.518 -5.447 11.280
298 H ILE 36 H ILE 36 -2.329 -7.122 8.266
299 HA ILE 36 HA ILE 36 -4.608 -7.736 9.993
300 HB ILE 36 HB ILE 36 -5.985 -6.516 8.353
301 HG12 ILE 36 HG12 ILE 36 -3.349 -5.943 6.977
302 HG13 ILE 36 HG13 ILE 36 -4.636 -6.963 6.340
303 HG21 ILE 36 HG21 ILE 36 -3.566 -5.031 9.367
304 HG22 ILE 36 HG22 ILE 36 -5.062 -5.336 10.249
305 HG23 ILE 36 HG23 ILE 36 -5.073 -4.281 8.836
306 HD11 ILE 36 HD11 ILE 36 -4.652 -4.766 5.309
307 HD12 ILE 36 HD12 ILE 36 -4.838 -4.014 6.895
308 HD13 ILE 36 HD13 ILE 36 -6.121 -5.036 6.248
309 H GLY 37 H GLY 37 -2.797 -9.371 7.867
310 HA2 GLY 37 HA2 GLY 37 -3.159 -11.563 7.183
311 HA3 GLY 37 HA3 GLY 37 -4.858 -11.384 7.586
312 H GLU 38 H GLU 38 -3.394 -9.010 5.530
313 HA GLU 38 HA GLU 38 -4.925 -10.115 3.267
314 HB2 GLU 38 HB2 GLU 38 -3.963 -7.296 3.799
315 HB3 GLU 38 HB3 GLU 38 -4.791 -7.805 2.334
316 HG2 GLU 38 HG2 GLU 38 -5.953 -7.964 5.106
317 HG3 GLU 38 HG3 GLU 38 -6.255 -6.662 3.956
318 HA PRO 39 HA PRO 39 -0.741 -10.918 1.726
319 HB2 PRO 39 HB2 PRO 39 -2.052 -12.645 -0.208
320 HB3 PRO 39 HB3 PRO 39 -0.953 -13.086 1.100
321 HG2 PRO 39 HG2 PRO 39 -3.599 -13.729 1.095
322 HG3 PRO 39 HG3 PRO 39 -2.660 -13.470 2.577
323 HD2 PRO 39 HD2 PRO 39 -4.547 -11.611 1.178
324 HD3 PRO 39 HD3 PRO 39 -4.346 -11.914 2.918
325 H VAL 40 H VAL 40 -3.563 -9.717 0.224
326 HA VAL 40 HA VAL 40 -1.968 -8.715 -2.036
327 HB VAL 40 HB VAL 40 -4.939 -9.302 -2.044
328 HG11 VAL 40 HG11 VAL 40 -4.778 -8.869 -4.465
329 HG12 VAL 40 HG12 VAL 40 -3.096 -8.386 -4.252
330 HG13 VAL 40 HG13 VAL 40 -4.384 -7.447 -3.498
331 HG21 VAL 40 HG21 VAL 40 -2.671 -10.779 -3.375
332 HG22 VAL 40 HG22 VAL 40 -4.386 -11.117 -3.600
333 HG23 VAL 40 HG23 VAL 40 -3.639 -11.357 -2.021
334 H VAL 41 H VAL 41 -1.764 -6.581 -2.099
335 HA VAL 41 HA VAL 41 -3.318 -4.966 -0.232
336 HB VAL 41 HB VAL 41 -0.997 -4.126 -1.987
337 HG11 VAL 41 HG11 VAL 41 -2.277 -2.774 0.391
338 HG12 VAL 41 HG12 VAL 41 -2.401 -2.259 -1.290
339 HG13 VAL 41 HG13 VAL 41 -0.843 -2.208 -0.464
340 HG21 VAL 41 HG21 VAL 41 0.373 -4.308 0.033
341 HG22 VAL 41 HG22 VAL 41 -0.324 -5.865 -0.410
342 HG23 VAL 41 HG23 VAL 41 -1.013 -4.936 0.920
343 H THR 42 H THR 42 -5.302 -4.713 -1.164
344 HA THR 42 HA THR 42 -5.515 -3.772 -3.909
345 HB THR 42 HB THR 42 -7.963 -3.925 -3.513
346 HG1 THR 42 HG1 THR 42 -8.314 -5.218 -1.366
347 HG21 THR 42 HG21 THR 42 -8.078 -6.367 -3.307
348 HG22 THR 42 HG22 THR 42 -6.423 -6.398 -2.702
349 HG23 THR 42 HG23 THR 42 -6.750 -5.883 -4.356
350 H ALA 43 H ALA 43 -7.566 -2.084 -3.949
351 HA ALA 43 HA ALA 43 -6.563 0.383 -3.052
352 HB1 ALA 43 HB1 ALA 43 -9.390 -0.320 -3.857
353 HB2 ALA 43 HB2 ALA 43 -8.101 0.208 -4.939
354 HB3 ALA 43 HB3 ALA 43 -8.732 1.311 -3.717
355 H ASP 44 H ASP 44 -8.893 -1.857 -1.692
356 HA ASP 44 HA ASP 44 -9.893 -0.171 0.349
357 HB2 ASP 44 HB2 ASP 44 -10.886 -2.364 -0.542
358 HB3 ASP 44 HB3 ASP 44 -9.733 -3.182 0.503
359 H VAL 45 H VAL 45 -7.347 -2.618 0.272
360 HA VAL 45 HA VAL 45 -6.659 -2.462 3.008
361 HB VAL 45 HB VAL 45 -4.930 -3.356 0.694
362 HG11 VAL 45 HG11 VAL 45 -3.639 -2.928 2.716
363 HG12 VAL 45 HG12 VAL 45 -3.720 -4.658 2.382
364 HG13 VAL 45 HG13 VAL 45 -4.733 -3.956 3.644
365 HG21 VAL 45 HG21 VAL 45 -5.691 -5.615 1.250
366 HG22 VAL 45 HG22 VAL 45 -7.033 -4.580 0.762
367 HG23 VAL 45 HG23 VAL 45 -6.777 -4.947 2.468
368 H PHE 46 H PHE 46 -5.236 -0.957 0.109
369 HA PHE 46 HA PHE 46 -3.099 0.281 1.480
370 HB2 PHE 46 HB2 PHE 46 -3.128 -0.110 -0.965
371 HB3 PHE 46 HB3 PHE 46 -4.376 1.121 -1.134
372 HD1 PHE 46 HD1 PHE 46 -1.167 0.971 0.769
373 HD2 PHE 46 HD2 PHE 46 -3.514 2.984 -2.153
374 HE1 PHE 46 HE1 PHE 46 0.571 2.699 0.567
375 HE2 PHE 46 HE2 PHE 46 -1.779 4.712 -2.360
376 HZ PHE 46 HZ PHE 46 0.266 4.573 -0.999
377 H ARG 47 H ARG 47 -6.396 1.285 0.834
378 HA ARG 47 HA ARG 47 -6.136 3.997 1.541
379 HB2 ARG 47 HB2 ARG 47 -8.105 3.043 0.390
380 HB3 ARG 47 HB3 ARG 47 -8.534 2.182 1.860
381 HG2 ARG 47 HG2 ARG 47 -8.897 4.283 3.018
382 HG3 ARG 47 HG3 ARG 47 -8.390 5.180 1.583
383 HD2 ARG 47 HD2 ARG 47 -10.821 5.104 1.770
384 HD3 ARG 47 HD3 ARG 47 -10.264 4.254 0.329
385 HE ARG 47 HE ARG 47 -10.744 2.642 2.710
386 HH11 ARG 47 HH11 ARG 47 -11.907 3.778 -0.396
387 HH12 ARG 47 HH12 ARG 47 -13.094 2.514 -0.557
388 HH21 ARG 47 HH21 ARG 47 -12.288 0.967 2.495
389 HH22 ARG 47 HH22 ARG 47 -13.311 0.924 1.088
390 H LYS 48 H LYS 48 -6.800 1.091 3.447
391 HA LYS 48 HA LYS 48 -7.234 2.367 5.923
392 HB2 LYS 48 HB2 LYS 48 -6.160 -0.399 5.344
393 HB3 LYS 48 HB3 LYS 48 -6.676 0.164 6.926
394 HG2 LYS 48 HG2 LYS 48 -8.939 0.510 6.049
395 HG3 LYS 48 HG3 LYS 48 -8.411 -0.110 4.482
396 HD2 LYS 48 HD2 LYS 48 -7.808 -2.242 5.557
397 HD3 LYS 48 HD3 LYS 48 -8.390 -1.619 7.099
398 HE2 LYS 48 HE2 LYS 48 -10.047 -2.026 4.610
399 HE3 LYS 48 HE3 LYS 48 -10.044 -3.064 6.033
400 HZ1 LYS 48 HZ1 LYS 48 -10.918 -0.233 5.923
401 HZ2 LYS 48 HZ2 LYS 48 -10.829 -1.156 7.342
402 HZ3 LYS 48 HZ3 LYS 48 -11.916 -1.589 6.111
403 H ALA 49 H ALA 49 -4.329 1.395 4.236
404 HA ALA 49 HA ALA 49 -2.492 1.610 6.340
405 HB1 ALA 49 HB1 ALA 49 -1.946 0.611 4.171
406 HB2 ALA 49 HB2 ALA 49 -0.789 1.863 4.620
407 HB3 ALA 49 HB3 ALA 49 -2.034 2.202 3.419
408 H LYS 50 H LYS 50 -3.368 4.027 3.869
409 HA LYS 50 HA LYS 50 -1.888 6.141 4.979
410 HB2 LYS 50 HB2 LYS 50 -4.343 6.150 3.226
411 HB3 LYS 50 HB3 LYS 50 -3.492 7.615 3.691
412 HG2 LYS 50 HG2 LYS 50 -1.467 6.786 2.601
413 HG3 LYS 50 HG3 LYS 50 -2.327 5.316 2.134
414 HD2 LYS 50 HD2 LYS 50 -3.894 6.629 0.815
415 HD3 LYS 50 HD3 LYS 50 -3.099 8.120 1.323
416 HE2 LYS 50 HE2 LYS 50 -1.102 7.533 0.152
417 HE3 LYS 50 HE3 LYS 50 -1.711 5.912 -0.182
418 HZ1 LYS 50 HZ1 LYS 50 -2.844 8.448 -1.250
419 HZ2 LYS 50 HZ2 LYS 50 -3.449 6.894 -1.553
420 HZ3 LYS 50 HZ3 LYS 50 -1.915 7.329 -2.119
421 H GLU 51 H GLU 51 -5.194 5.051 5.532
422 HA GLU 51 HA GLU 51 -6.099 7.133 7.152
423 HB2 GLU 51 HB2 GLU 51 -7.507 5.283 6.270
424 HB3 GLU 51 HB3 GLU 51 -6.745 4.190 7.419
425 HG2 GLU 51 HG2 GLU 51 -7.576 5.748 9.231
426 HG3 GLU 51 HG3 GLU 51 -8.559 6.510 7.984
427 H HIS 52 H HIS 52 -4.496 4.095 8.057
428 HA HIS 52 HA HIS 52 -4.483 4.619 10.842
429 HB2 HIS 52 HB2 HIS 52 -4.294 2.350 9.809
430 HB3 HIS 52 HB3 HIS 52 -2.662 2.761 9.296
431 HD1 HIS 52 HD1 HIS 52 -4.538 1.360 12.090
432 HD2 HIS 52 HD2 HIS 52 -0.852 3.212 11.561
433 HE1 HIS 52 HE1 HIS 52 -3.206 0.818 14.149
434 HE2 HIS 52 HE2 HIS 52 -1.047 2.094 13.887
435 H LEU 53 H LEU 53 -2.080 5.118 8.291
436 HA LEU 53 HA LEU 53 0.027 5.822 10.067
437 HB2 LEU 53 HB2 LEU 53 -0.297 6.418 7.126
438 HB3 LEU 53 HB3 LEU 53 1.186 6.615 8.040
439 HG LEU 53 HG LEU 53 -0.231 4.000 7.520
440 HD11 LEU 53 HD11 LEU 53 2.329 5.129 6.405
441 HD12 LEU 53 HD12 LEU 53 0.822 4.869 5.524
442 HD13 LEU 53 HD13 LEU 53 1.733 3.490 6.144
443 HD21 LEU 53 HD21 LEU 53 2.380 4.553 8.920
444 HD22 LEU 53 HD22 LEU 53 1.727 2.961 8.536
445 HD23 LEU 53 HD23 LEU 53 0.887 4.004 9.682
446 H GLY 54 H GLY 54 -2.648 7.581 8.821
447 HA2 GLY 54 HA2 GLY 54 -3.248 9.611 10.014
448 HA3 GLY 54 HA3 GLY 54 -1.539 10.016 10.066
449 H GLY 55 H GLY 55 -4.030 9.257 7.639
450 HA2 GLY 55 HA2 GLY 55 -2.748 11.104 5.782
451 HA3 GLY 55 HA3 GLY 55 -4.060 9.997 5.407
452 H LEU 56 H LEU 56 -4.091 12.578 4.529
453 HA LEU 56 HA LEU 56 -5.517 14.303 4.269
454 HB2 LEU 56 HB2 LEU 56 -7.205 12.891 6.328
455 HB3 LEU 56 HB3 LEU 56 -7.714 14.284 5.395
456 HG LEU 56 HG LEU 56 -7.048 11.556 4.286
457 HD11 LEU 56 HD11 LEU 56 -9.665 13.023 4.571
458 HD12 LEU 56 HD12 LEU 56 -9.155 11.607 5.488
459 HD13 LEU 56 HD13 LEU 56 -9.437 11.477 3.753
460 HD21 LEU 56 HD21 LEU 56 -7.800 12.435 2.149
461 HD22 LEU 56 HD22 LEU 56 -6.421 13.357 2.744
462 HD23 LEU 56 HD23 LEU 56 -8.047 14.026 2.870
463 H GLU 57 H GLU 57 -3.874 15.608 5.106
464 HA GLU 57 HA GLU 57 -4.382 16.669 7.812
465 HB2 GLU 57 HB2 GLU 57 -2.119 15.610 7.249
466 HB3 GLU 57 HB3 GLU 57 -1.853 16.986 6.192
467 HG2 GLU 57 HG2 GLU 57 -2.498 18.273 8.452
468 HG3 GLU 57 HG3 GLU 57 -1.785 16.807 9.128
469 H HIS 58 H HIS 58 -2.408 18.886 6.630
470 HA HIS 58 HA HIS 58 -4.413 20.705 5.722
471 HB2 HIS 58 HB2 HIS 58 -1.403 20.798 5.778
472 HB3 HIS 58 HB3 HIS 58 -2.328 22.053 4.963
473 HD1 HIS 58 HD1 HIS 58 -3.635 23.715 6.432
474 HD2 HIS 58 HD2 HIS 58 -1.575 20.814 8.591
475 HE1 HIS 58 HE1 HIS 58 -3.625 24.518 8.817
476 HE2 HIS 58 HE2 HIS 58 -2.245 22.828 10.077
477 H HIS 59 H HIS 59 -2.157 18.529 4.220
478 HA HIS 59 HA HIS 59 -2.912 19.362 1.543
479 HB2 HIS 59 HB2 HIS 59 -0.576 18.747 1.950
480 HB3 HIS 59 HB3 HIS 59 -1.074 17.157 2.517
481 HD1 HIS 59 HD1 HIS 59 -0.715 15.409 0.816
482 HD2 HIS 59 HD2 HIS 59 -1.604 19.091 -0.908
483 HE1 HIS 59 HE1 HIS 59 -0.638 15.034 -1.666
484 HE2 HIS 59 HE2 HIS 59 -1.344 17.231 -2.682
485 H HIS 60 H HIS 60 -5.001 18.793 1.148
486 HA HIS 60 HA HIS 60 -5.549 15.982 0.871
487 HB2 HIS 60 HB2 HIS 60 -7.626 15.990 2.243
488 HB3 HIS 60 HB3 HIS 60 -6.158 16.143 3.188
489 HD1 HIS 60 HD1 HIS 60 -8.332 16.945 4.831
490 HD2 HIS 60 HD2 HIS 60 -6.836 19.625 2.020
491 HE1 HIS 60 HE1 HIS 60 -9.108 19.214 5.572
492 HE2 HIS 60 HE2 HIS 60 -8.412 20.768 3.725
493 H HIS 61 H HIS 61 -5.679 16.619 -1.315
494 HA HIS 61 HA HIS 61 -7.932 18.334 -2.025
495 HB2 HIS 61 HB2 HIS 61 -5.559 17.303 -3.524
496 HB3 HIS 61 HB3 HIS 61 -6.995 17.791 -4.420
497 HD1 HIS 61 HD1 HIS 61 -3.921 19.170 -3.705
498 HD2 HIS 61 HD2 HIS 61 -7.807 20.528 -3.070
499 HE1 HIS 61 HE1 HIS 61 -3.748 21.672 -3.485
500 HE2 HIS 61 HE2 HIS 61 -6.120 22.484 -3.176
501 H HIS 62 H HIS 62 -9.825 17.473 -2.214
502 HA HIS 62 HA HIS 62 -10.147 14.619 -2.522
503 HB2 HIS 62 HB2 HIS 62 -11.513 15.941 -0.926
504 HB3 HIS 62 HB3 HIS 62 -12.228 16.803 -2.282
505 HD1 HIS 62 HD1 HIS 62 -12.195 13.420 -0.625
506 HD2 HIS 62 HD2 HIS 62 -14.299 15.485 -3.562
507 HE1 HIS 62 HE1 HIS 62 -14.233 12.026 -1.115
508 HE2 HIS 62 HE2 HIS 62 -15.370 13.190 -3.041
509 H HIS 63 H HIS 63 -9.398 14.280 -4.629
510 HA HIS 63 HA HIS 63 -11.436 14.486 -6.632
511 HB2 HIS 63 HB2 HIS 63 -10.228 15.738 -8.283
512 HB3 HIS 63 HB3 HIS 63 -10.226 16.705 -6.814
513 HD1 HIS 63 HD1 HIS 63 -8.004 15.061 -9.253
514 HD2 HIS 63 HD2 HIS 63 -7.671 16.813 -5.492
515 HE1 HIS 63 HE1 HIS 63 -5.542 15.459 -8.902
516 HE2 HIS 63 HE2 HIS 63 -5.354 16.481 -6.601
Start of MODEL 19
1 H1 MET 1 H1 MET 1 13.605 -10.095 -1.633
2 H2 MET 1 H2 MET 1 14.612 -8.761 -1.356
3 H3 MET 1 H3 MET 1 12.968 -8.523 -1.690
4 HA MET 1 HA MET 1 14.147 -9.767 0.730
5 HB2 MET 1 HB2 MET 1 12.500 -7.260 0.332
6 HB3 MET 1 HB3 MET 1 12.986 -7.906 1.892
7 HG2 MET 1 HG2 MET 1 15.342 -7.578 1.259
8 HG3 MET 1 HG3 MET 1 14.810 -6.859 -0.260
9 HE1 MET 1 HE1 MET 1 12.196 -5.298 0.734
10 HE2 MET 1 HE2 MET 1 13.362 -4.597 -0.388
11 HE3 MET 1 HE3 MET 1 12.858 -3.694 1.038
12 H GLY 2 H GLY 2 11.103 -8.576 -0.645
13 HA2 GLY 2 HA2 GLY 2 9.451 -10.683 -0.546
14 HA3 GLY 2 HA3 GLY 2 9.554 -10.233 1.158
15 H GLU 3 H GLU 3 7.712 -9.843 -1.496
16 HA GLU 3 HA GLU 3 6.623 -7.318 -0.526
17 HB2 GLU 3 HB2 GLU 3 8.390 -6.841 -2.269
18 HB3 GLU 3 HB3 GLU 3 7.368 -7.676 -3.428
19 HG2 GLU 3 HG2 GLU 3 5.635 -6.035 -3.163
20 HG3 GLU 3 HG3 GLU 3 6.532 -5.246 -1.863
21 H LEU 4 H LEU 4 4.506 -7.430 -0.467
22 HA LEU 4 HA LEU 4 3.102 -9.707 -1.421
23 HB2 LEU 4 HB2 LEU 4 2.112 -7.091 -0.299
24 HB3 LEU 4 HB3 LEU 4 1.092 -8.484 -0.611
25 HG LEU 4 HG LEU 4 3.398 -8.414 1.341
26 HD11 LEU 4 HD11 LEU 4 1.512 -7.039 2.058
27 HD12 LEU 4 HD12 LEU 4 1.677 -8.482 3.060
28 HD13 LEU 4 HD13 LEU 4 0.422 -8.405 1.823
29 HD21 LEU 4 HD21 LEU 4 1.341 -10.545 0.764
30 HD22 LEU 4 HD22 LEU 4 2.510 -10.584 2.083
31 HD23 LEU 4 HD23 LEU 4 3.066 -10.634 0.411
32 H SER 5 H SER 5 0.870 -9.265 -2.542
33 HA SER 5 HA SER 5 1.604 -8.273 -5.167
34 HB2 SER 5 HB2 SER 5 -0.872 -9.749 -4.244
35 HB3 SER 5 HB3 SER 5 -0.452 -9.391 -5.920
36 HG SER 5 HG SER 5 1.191 -10.904 -4.154
37 H TRP 6 H TRP 6 1.486 -6.098 -5.176
38 HA TRP 6 HA TRP 6 -0.826 -4.664 -4.228
39 HB2 TRP 6 HB2 TRP 6 1.659 -3.902 -5.751
40 HB3 TRP 6 HB3 TRP 6 0.336 -2.761 -5.537
41 HD1 TRP 6 HD1 TRP 6 2.551 -4.975 -3.204
42 HE1 TRP 6 HE1 TRP 6 3.058 -3.592 -1.086
43 HE3 TRP 6 HE3 TRP 6 -0.127 -0.768 -4.323
44 HZ2 TRP 6 HZ2 TRP 6 2.410 -1.055 -0.043
45 HZ3 TRP 6 HZ3 TRP 6 -0.128 1.092 -2.715
46 HH2 TRP 6 HH2 TRP 6 1.115 0.948 -0.620
47 H THR 7 H THR 7 -2.648 -4.212 -5.365
48 HA THR 7 HA THR 7 -2.765 -5.092 -8.140
49 HB THR 7 HB THR 7 -5.179 -4.724 -7.990
50 HG1 THR 7 HG1 THR 7 -6.111 -3.758 -6.305
51 HG21 THR 7 HG21 THR 7 -4.300 -6.870 -7.256
52 HG22 THR 7 HG22 THR 7 -5.695 -6.411 -6.278
53 HG23 THR 7 HG23 THR 7 -4.064 -6.235 -5.628
54 H ALA 8 H ALA 8 -4.179 -3.639 -9.610
55 HA ALA 8 HA ALA 8 -2.660 -1.323 -10.108
56 HB1 ALA 8 HB1 ALA 8 -4.203 -0.897 -11.920
57 HB2 ALA 8 HB2 ALA 8 -5.353 -2.051 -11.243
58 HB3 ALA 8 HB3 ALA 8 -3.798 -2.613 -11.856
59 H GLU 9 H GLU 9 -5.720 -1.815 -8.466
60 HA GLU 9 HA GLU 9 -6.597 0.838 -8.304
61 HB2 GLU 9 HB2 GLU 9 -6.891 -1.242 -6.128
62 HB3 GLU 9 HB3 GLU 9 -7.897 0.175 -6.372
63 HG2 GLU 9 HG2 GLU 9 -9.193 -1.567 -7.163
64 HG3 GLU 9 HG3 GLU 9 -8.491 -0.880 -8.628
65 H ALA 10 H ALA 10 -4.504 -1.021 -6.129
66 HA ALA 10 HA ALA 10 -4.165 1.053 -4.235
67 HB1 ALA 10 HB1 ALA 10 -3.823 -1.303 -3.685
68 HB2 ALA 10 HB2 ALA 10 -2.390 -0.345 -3.316
69 HB3 ALA 10 HB3 ALA 10 -2.427 -1.355 -4.761
70 H GLU 11 H GLU 11 -2.141 -0.113 -6.910
71 HA GLU 11 HA GLU 11 -0.017 1.676 -6.425
72 HB2 GLU 11 HB2 GLU 11 -0.779 0.223 -8.954
73 HB3 GLU 11 HB3 GLU 11 0.719 1.120 -8.734
74 HG2 GLU 11 HG2 GLU 11 1.003 -0.414 -6.648
75 HG3 GLU 11 HG3 GLU 11 -0.151 -1.445 -7.493
76 H LYS 12 H LYS 12 -2.987 1.999 -8.245
77 HA LYS 12 HA LYS 12 -2.441 4.300 -9.716
78 HB2 LYS 12 HB2 LYS 12 -4.512 3.052 -9.959
79 HB3 LYS 12 HB3 LYS 12 -4.993 3.471 -8.321
80 HG2 LYS 12 HG2 LYS 12 -5.107 5.837 -8.984
81 HG3 LYS 12 HG3 LYS 12 -4.690 5.376 -10.636
82 HD2 LYS 12 HD2 LYS 12 -6.705 4.038 -10.801
83 HD3 LYS 12 HD3 LYS 12 -7.101 4.384 -9.117
84 HE2 LYS 12 HE2 LYS 12 -7.307 6.758 -9.652
85 HE3 LYS 12 HE3 LYS 12 -6.902 6.420 -11.334
86 HZ1 LYS 12 HZ1 LYS 12 -9.302 6.648 -10.952
87 HZ2 LYS 12 HZ2 LYS 12 -9.262 5.319 -9.903
88 HZ3 LYS 12 HZ3 LYS 12 -8.897 5.112 -11.545
89 H MET 13 H MET 13 -3.468 3.981 -6.346
90 HA MET 13 HA MET 13 -3.361 6.829 -5.899
91 HB2 MET 13 HB2 MET 13 -3.726 4.491 -4.024
92 HB3 MET 13 HB3 MET 13 -3.723 6.170 -3.498
93 HG2 MET 13 HG2 MET 13 -5.640 6.613 -4.964
94 HG3 MET 13 HG3 MET 13 -5.653 4.918 -5.439
95 HE1 MET 13 HE1 MET 13 -6.337 2.936 -3.869
96 HE2 MET 13 HE2 MET 13 -6.658 3.111 -2.141
97 HE3 MET 13 HE3 MET 13 -5.031 3.386 -2.771
98 H LEU 14 H LEU 14 -1.294 4.055 -5.440
99 HA LEU 14 HA LEU 14 0.630 5.269 -3.762
100 HB2 LEU 14 HB2 LEU 14 0.424 2.832 -4.099
101 HB3 LEU 14 HB3 LEU 14 0.979 3.023 -5.749
102 HG LEU 14 HG LEU 14 3.140 3.904 -4.852
103 HD11 LEU 14 HD11 LEU 14 1.999 2.962 -2.227
104 HD12 LEU 14 HD12 LEU 14 2.361 4.631 -2.667
105 HD13 LEU 14 HD13 LEU 14 3.669 3.458 -2.504
106 HD21 LEU 14 HD21 LEU 14 2.881 1.587 -5.589
107 HD22 LEU 14 HD22 LEU 14 2.359 1.132 -3.965
108 HD23 LEU 14 HD23 LEU 14 4.000 1.716 -4.233
109 H GLY 15 H GLY 15 0.117 5.299 -7.218
110 HA2 GLY 15 HA2 GLY 15 2.649 6.280 -8.015
111 HA3 GLY 15 HA3 GLY 15 1.155 6.430 -8.929
112 H LYS 16 H LYS 16 0.150 7.777 -6.295
113 HA LYS 16 HA LYS 16 0.727 10.484 -7.110
114 HB2 LYS 16 HB2 LYS 16 -0.770 9.428 -4.708
115 HB3 LYS 16 HB3 LYS 16 -0.758 11.101 -5.252
116 HG2 LYS 16 HG2 LYS 16 -1.853 8.761 -6.800
117 HG3 LYS 16 HG3 LYS 16 -2.806 9.952 -5.916
118 HD2 LYS 16 HD2 LYS 16 -2.040 11.716 -7.386
119 HD3 LYS 16 HD3 LYS 16 -0.961 10.595 -8.217
120 HE2 LYS 16 HE2 LYS 16 -3.961 10.329 -8.119
121 HE3 LYS 16 HE3 LYS 16 -3.068 11.071 -9.445
122 HZ1 LYS 16 HZ1 LYS 16 -2.762 8.258 -8.540
123 HZ2 LYS 16 HZ2 LYS 16 -1.943 8.983 -9.834
124 HZ3 LYS 16 HZ3 LYS 16 -3.624 8.762 -9.909
125 H VAL 17 H VAL 17 2.029 8.192 -4.992
126 HA VAL 17 HA VAL 17 3.188 10.002 -3.087
127 HB VAL 17 HB VAL 17 3.681 7.067 -3.639
128 HG11 VAL 17 HG11 VAL 17 5.622 8.047 -2.540
129 HG12 VAL 17 HG12 VAL 17 4.744 6.995 -1.429
130 HG13 VAL 17 HG13 VAL 17 4.583 8.747 -1.297
131 HG21 VAL 17 HG21 VAL 17 2.020 8.452 -1.535
132 HG22 VAL 17 HG22 VAL 17 2.337 6.719 -1.600
133 HG23 VAL 17 HG23 VAL 17 1.421 7.494 -2.891
134 HA PRO 18 HA PRO 18 6.689 11.217 -5.595
135 HB2 PRO 18 HB2 PRO 18 8.014 11.492 -2.944
136 HB3 PRO 18 HB3 PRO 18 7.855 12.672 -4.249
137 HG2 PRO 18 HG2 PRO 18 6.390 12.884 -2.033
138 HG3 PRO 18 HG3 PRO 18 5.716 13.281 -3.624
139 HD2 PRO 18 HD2 PRO 18 5.285 10.856 -1.934
140 HD3 PRO 18 HD3 PRO 18 4.138 11.730 -2.970
141 H PHE 19 H PHE 19 8.652 10.401 -6.231
142 HA PHE 19 HA PHE 19 8.770 7.607 -6.072
143 HB2 PHE 19 HB2 PHE 19 9.554 9.171 -7.947
144 HB3 PHE 19 HB3 PHE 19 11.043 9.337 -7.021
145 HD1 PHE 19 HD1 PHE 19 8.774 6.659 -8.217
146 HD2 PHE 19 HD2 PHE 19 12.773 7.947 -7.587
147 HE1 PHE 19 HE1 PHE 19 9.599 4.571 -9.240
148 HE2 PHE 19 HE2 PHE 19 13.615 5.867 -8.604
149 HZ PHE 19 HZ PHE 19 12.024 4.177 -9.433
150 H PHE 20 H PHE 20 10.507 10.098 -4.352
151 HA PHE 20 HA PHE 20 12.658 8.541 -3.420
152 HB2 PHE 20 HB2 PHE 20 11.409 10.926 -2.048
153 HB3 PHE 20 HB3 PHE 20 13.048 10.322 -1.833
154 HD1 PHE 20 HD2 PHE 20 14.600 10.374 -3.863
155 HD2 PHE 20 HD1 PHE 20 10.938 12.528 -3.650
156 HE1 PHE 20 HE2 PHE 20 15.373 11.859 -5.665
157 HE2 PHE 20 HE1 PHE 20 11.705 14.015 -5.455
158 HZ PHE 20 HZ PHE 20 13.928 13.684 -6.464
159 H VAL 21 H VAL 21 9.388 9.014 -2.229
160 HA VAL 21 HA VAL 21 10.020 7.298 0.084
161 HB VAL 21 HB VAL 21 8.026 8.238 1.178
162 HG11 VAL 21 HG11 VAL 21 10.200 9.251 1.577
163 HG12 VAL 21 HG12 VAL 21 8.933 10.477 1.596
164 HG13 VAL 21 HG13 VAL 21 9.977 10.312 0.184
165 HG21 VAL 21 HG21 VAL 21 7.877 10.042 -1.238
166 HG22 VAL 21 HG22 VAL 21 6.909 10.203 0.227
167 HG23 VAL 21 HG23 VAL 21 6.716 8.787 -0.807
168 H ARG 22 H ARG 22 9.035 6.820 -2.848
169 HA ARG 22 HA ARG 22 6.449 5.735 -2.715
170 HB2 ARG 22 HB2 ARG 22 7.586 6.328 -4.822
171 HB3 ARG 22 HB3 ARG 22 8.715 5.004 -4.581
172 HG2 ARG 22 HG2 ARG 22 7.161 4.198 -6.122
173 HG3 ARG 22 HG3 ARG 22 6.682 3.482 -4.583
174 HD2 ARG 22 HD2 ARG 22 4.734 4.270 -5.778
175 HD3 ARG 22 HD3 ARG 22 4.983 5.221 -4.315
176 HE ARG 22 HE ARG 22 5.437 7.077 -5.603
177 HH11 ARG 22 HH11 ARG 22 5.246 4.241 -7.647
178 HH12 ARG 22 HH12 ARG 22 5.194 5.147 -9.128
179 HH21 ARG 22 HH21 ARG 22 5.351 8.274 -7.527
180 HH22 ARG 22 HH22 ARG 22 5.254 7.455 -9.062
181 H LYS 23 H LYS 23 9.640 4.195 -2.508
182 HA LYS 23 HA LYS 23 8.641 1.564 -2.117
183 HB2 LYS 23 HB2 LYS 23 10.905 2.024 -2.950
184 HB3 LYS 23 HB3 LYS 23 11.330 2.760 -1.413
185 HG2 LYS 23 HG2 LYS 23 10.985 0.594 -0.304
186 HG3 LYS 23 HG3 LYS 23 10.632 -0.133 -1.875
187 HD2 LYS 23 HD2 LYS 23 12.864 0.487 -2.662
188 HD3 LYS 23 HD3 LYS 23 13.211 1.230 -1.099
189 HE2 LYS 23 HE2 LYS 23 12.894 -0.972 -0.024
190 HE3 LYS 23 HE3 LYS 23 12.653 -1.692 -1.617
191 HZ1 LYS 23 HZ1 LYS 23 15.117 -0.316 -0.682
192 HZ2 LYS 23 HZ2 LYS 23 14.889 -0.982 -2.224
193 HZ3 LYS 23 HZ3 LYS 23 14.921 -1.992 -0.861
194 H LYS 24 H LYS 24 9.460 4.212 0.001
195 HA LYS 24 HA LYS 24 9.469 2.953 2.480
196 HB2 LYS 24 HB2 LYS 24 10.042 5.355 2.018
197 HB3 LYS 24 HB3 LYS 24 8.326 5.683 1.855
198 HG2 LYS 24 HG2 LYS 24 9.367 4.478 4.381
199 HG3 LYS 24 HG3 LYS 24 9.553 6.205 4.085
200 HD2 LYS 24 HD2 LYS 24 7.013 6.136 3.570
201 HD3 LYS 24 HD3 LYS 24 7.052 4.594 4.426
202 HE2 LYS 24 HE2 LYS 24 7.951 7.258 5.522
203 HE3 LYS 24 HE3 LYS 24 6.447 6.434 5.919
204 HZ1 LYS 24 HZ1 LYS 24 9.158 5.339 6.463
205 HZ2 LYS 24 HZ2 LYS 24 7.676 4.674 6.954
206 HZ3 LYS 24 HZ3 LYS 24 8.198 6.147 7.601
207 H VAL 25 H VAL 25 6.751 4.375 0.684
208 HA VAL 25 HA VAL 25 4.813 3.537 2.613
209 HB VAL 25 HB VAL 25 4.381 4.441 -0.240
210 HG11 VAL 25 HG11 VAL 25 2.462 3.246 0.709
211 HG12 VAL 25 HG12 VAL 25 2.114 4.959 0.475
212 HG13 VAL 25 HG13 VAL 25 2.470 4.344 2.090
213 HG21 VAL 25 HG21 VAL 25 3.900 6.639 0.757
214 HG22 VAL 25 HG22 VAL 25 5.565 6.132 1.035
215 HG23 VAL 25 HG23 VAL 25 4.380 6.012 2.336
216 H ARG 26 H ARG 26 5.928 2.311 -0.513
217 HA ARG 26 HA ARG 26 3.970 0.351 -0.906
218 HB2 ARG 26 HB2 ARG 26 5.941 1.205 -2.437
219 HB3 ARG 26 HB3 ARG 26 6.804 -0.155 -1.735
220 HG2 ARG 26 HG2 ARG 26 5.054 -1.675 -2.540
221 HG3 ARG 26 HG3 ARG 26 4.218 -0.302 -3.272
222 HD2 ARG 26 HD2 ARG 26 6.498 0.116 -4.452
223 HD3 ARG 26 HD3 ARG 26 6.818 -1.568 -4.043
224 HE ARG 26 HE ARG 26 4.357 -0.925 -5.492
225 HH11 ARG 26 HH11 ARG 26 7.512 -2.423 -5.436
226 HH12 ARG 26 HH12 ARG 26 7.321 -3.188 -6.983
227 HH21 ARG 26 HH21 ARG 26 4.102 -1.903 -7.550
228 HH22 ARG 26 HH22 ARG 26 5.389 -2.890 -8.177
229 H LYS 27 H LYS 27 7.152 0.096 0.641
230 HA LYS 27 HA LYS 27 6.843 -2.620 1.433
231 HB2 LYS 27 HB2 LYS 27 9.031 -1.451 1.140
232 HB3 LYS 27 HB3 LYS 27 8.687 -0.525 2.594
233 HG2 LYS 27 HG2 LYS 27 8.691 -2.551 3.923
234 HG3 LYS 27 HG3 LYS 27 8.938 -3.525 2.474
235 HD2 LYS 27 HD2 LYS 27 11.050 -3.276 3.567
236 HD3 LYS 27 HD3 LYS 27 11.078 -2.298 2.098
237 HE2 LYS 27 HE2 LYS 27 12.072 -1.038 3.883
238 HE3 LYS 27 HE3 LYS 27 10.518 -0.312 3.481
239 HZ1 LYS 27 HZ1 LYS 27 10.924 -0.512 5.890
240 HZ2 LYS 27 HZ2 LYS 27 10.958 -2.197 5.736
241 HZ3 LYS 27 HZ3 LYS 27 9.531 -1.343 5.395
242 H ASN 28 H ASN 28 5.886 0.416 2.811
243 HA ASN 28 HA ASN 28 5.769 -0.475 5.530
244 HB2 ASN 28 HB2 ASN 28 6.101 1.895 4.942
245 HB3 ASN 28 HB3 ASN 28 4.511 1.937 4.199
246 HD21 ASN 28 HD21 ASN 28 4.160 3.713 5.620
247 HD22 ASN 28 HD22 ASN 28 3.682 3.430 7.258
248 H THR 29 H THR 29 3.424 0.067 2.945
249 HA THR 29 HA THR 29 1.177 -0.892 4.404
250 HB THR 29 HB THR 29 1.357 -1.151 1.457
251 HG1 THR 29 HG1 THR 29 2.169 0.868 1.539
252 HG21 THR 29 HG21 THR 29 -0.771 -0.165 3.330
253 HG22 THR 29 HG22 THR 29 -0.706 -1.750 2.563
254 HG23 THR 29 HG23 THR 29 -0.943 -0.304 1.583
255 H ASP 30 H ASP 30 3.636 -2.348 2.358
256 HA ASP 30 HA ASP 30 2.588 -4.916 2.072
257 HB2 ASP 30 HB2 ASP 30 4.589 -4.347 0.883
258 HB3 ASP 30 HB3 ASP 30 5.437 -3.945 2.373
259 H ASN 31 H ASN 31 4.768 -3.662 4.577
260 HA ASN 31 HA ASN 31 4.596 -5.901 6.288
261 HB2 ASN 31 HB2 ASN 31 5.344 -3.018 6.760
262 HB3 ASN 31 HB3 ASN 31 5.314 -4.189 8.071
263 HD21 ASN 31 HD21 ASN 31 6.286 -5.052 4.812
264 HD22 ASN 31 HD22 ASN 31 7.964 -5.278 5.181
265 H TYR 32 H TYR 32 2.510 -3.173 5.738
266 HA TYR 32 HA TYR 32 1.056 -3.386 8.194
267 HB2 TYR 32 HB2 TYR 32 1.031 -1.284 7.005
268 HB3 TYR 32 HB3 TYR 32 0.393 -2.045 5.551
269 HD1 TYR 32 HD1 TYR 32 -0.422 -1.173 9.061
270 HD2 TYR 32 HD2 TYR 32 -1.926 -2.290 5.241
271 HE1 TYR 32 HE1 TYR 32 -2.706 -0.700 9.831
272 HE2 TYR 32 HE2 TYR 32 -4.218 -1.822 6.004
273 HH TYR 32 HH TYR 32 -5.462 -1.697 8.113
274 H ALA 33 H ALA 33 0.539 -4.520 4.894
275 HA ALA 33 HA ALA 33 -1.987 -5.683 5.356
276 HB1 ALA 33 HB1 ALA 33 0.038 -6.353 3.231
277 HB2 ALA 33 HB2 ALA 33 -1.169 -5.072 3.134
278 HB3 ALA 33 HB3 ALA 33 -1.677 -6.759 3.205
279 H ARG 34 H ARG 34 1.304 -6.959 5.593
280 HA ARG 34 HA ARG 34 0.592 -9.656 6.038
281 HB2 ARG 34 HB2 ARG 34 2.983 -8.188 7.174
282 HB3 ARG 34 HB3 ARG 34 2.812 -9.930 6.994
283 HG2 ARG 34 HG2 ARG 34 2.673 -9.635 4.565
284 HG3 ARG 34 HG3 ARG 34 2.941 -7.908 4.783
285 HD2 ARG 34 HD2 ARG 34 5.099 -8.508 5.938
286 HD3 ARG 34 HD3 ARG 34 4.832 -10.167 5.397
287 HE ARG 34 HE ARG 34 5.288 -7.833 3.645
288 HH11 ARG 34 HH11 ARG 34 5.299 -11.312 4.169
289 HH12 ARG 34 HH12 ARG 34 5.924 -11.657 2.590
290 HH21 ARG 34 HH21 ARG 34 6.062 -8.298 1.579
291 HH22 ARG 34 HH22 ARG 34 6.344 -9.956 1.108
292 H GLU 35 H GLU 35 0.648 -6.843 8.076
293 HA GLU 35 HA GLU 35 0.526 -8.268 10.533
294 HB2 GLU 35 HB2 GLU 35 1.420 -5.970 10.364
295 HB3 GLU 35 HB3 GLU 35 -0.187 -5.389 9.952
296 HG2 GLU 35 HG2 GLU 35 -1.010 -6.097 12.136
297 HG3 GLU 35 HG3 GLU 35 0.595 -6.700 12.548
298 H ILE 36 H ILE 36 -1.860 -6.770 8.390
299 HA ILE 36 HA ILE 36 -4.039 -7.399 10.189
300 HB ILE 36 HB ILE 36 -5.516 -6.509 8.440
301 HG12 ILE 36 HG12 ILE 36 -2.965 -6.075 6.869
302 HG13 ILE 36 HG13 ILE 36 -4.211 -7.255 6.479
303 HG21 ILE 36 HG21 ILE 36 -4.718 -4.193 8.519
304 HG22 ILE 36 HG22 ILE 36 -3.131 -4.763 9.036
305 HG23 ILE 36 HG23 ILE 36 -4.535 -4.998 10.078
306 HD11 ILE 36 HD11 ILE 36 -4.378 -5.289 5.068
307 HD12 ILE 36 HD12 ILE 36 -4.548 -4.265 6.493
308 HD13 ILE 36 HD13 ILE 36 -5.799 -5.444 6.101
309 H GLY 37 H GLY 37 -2.381 -8.952 7.623
310 HA2 GLY 37 HA2 GLY 37 -2.578 -11.275 7.226
311 HA3 GLY 37 HA3 GLY 37 -4.202 -11.226 7.890
312 H GLU 38 H GLU 38 -2.641 -9.351 5.311
313 HA GLU 38 HA GLU 38 -4.549 -10.469 3.381
314 HB2 GLU 38 HB2 GLU 38 -5.425 -8.303 4.129
315 HB3 GLU 38 HB3 GLU 38 -3.889 -7.538 3.756
316 HG2 GLU 38 HG2 GLU 38 -5.359 -7.008 1.995
317 HG3 GLU 38 HG3 GLU 38 -4.241 -8.222 1.375
318 HA PRO 39 HA PRO 39 -0.514 -10.712 1.364
319 HB2 PRO 39 HB2 PRO 39 -1.165 -12.620 -0.416
320 HB3 PRO 39 HB3 PRO 39 -0.862 -12.985 1.285
321 HG2 PRO 39 HG2 PRO 39 -3.458 -12.716 -0.166
322 HG3 PRO 39 HG3 PRO 39 -2.991 -13.877 1.090
323 HD2 PRO 39 HD2 PRO 39 -4.492 -11.606 1.534
324 HD3 PRO 39 HD3 PRO 39 -3.545 -12.445 2.776
325 H VAL 40 H VAL 40 -3.597 -9.892 0.041
326 HA VAL 40 HA VAL 40 -2.319 -8.924 -2.435
327 HB VAL 40 HB VAL 40 -5.255 -9.515 -2.004
328 HG11 VAL 40 HG11 VAL 40 -5.394 -9.317 -4.454
329 HG12 VAL 40 HG12 VAL 40 -3.695 -8.851 -4.499
330 HG13 VAL 40 HG13 VAL 40 -4.872 -7.816 -3.692
331 HG21 VAL 40 HG21 VAL 40 -3.208 -11.145 -3.505
332 HG22 VAL 40 HG22 VAL 40 -4.930 -11.499 -3.364
333 HG23 VAL 40 HG23 VAL 40 -3.894 -11.564 -1.937
334 H VAL 41 H VAL 41 -1.830 -6.846 -2.143
335 HA VAL 41 HA VAL 41 -3.372 -5.159 -0.388
336 HB VAL 41 HB VAL 41 -1.089 -4.378 -2.214
337 HG11 VAL 41 HG11 VAL 41 -2.297 -2.997 0.181
338 HG12 VAL 41 HG12 VAL 41 -2.410 -2.474 -1.502
339 HG13 VAL 41 HG13 VAL 41 -0.849 -2.470 -0.680
340 HG21 VAL 41 HG21 VAL 41 -1.043 -5.207 0.686
341 HG22 VAL 41 HG22 VAL 41 0.326 -4.550 -0.209
342 HG23 VAL 41 HG23 VAL 41 -0.364 -6.106 -0.673
343 H THR 42 H THR 42 -5.367 -4.789 -1.209
344 HA THR 42 HA THR 42 -5.639 -3.771 -3.923
345 HB THR 42 HB THR 42 -8.123 -3.760 -3.298
346 HG1 THR 42 HG1 THR 42 -7.586 -5.650 -1.321
347 HG21 THR 42 HG21 THR 42 -6.623 -6.383 -3.277
348 HG22 THR 42 HG22 THR 42 -7.128 -5.484 -4.707
349 HG23 THR 42 HG23 THR 42 -8.340 -6.182 -3.634
350 H ALA 43 H ALA 43 -7.654 -1.995 -3.795
351 HA ALA 43 HA ALA 43 -6.347 0.379 -3.065
352 HB1 ALA 43 HB1 ALA 43 -8.464 1.496 -3.603
353 HB2 ALA 43 HB2 ALA 43 -9.271 -0.073 -3.650
354 HB3 ALA 43 HB3 ALA 43 -8.016 0.309 -4.829
355 H ASP 44 H ASP 44 -9.051 -1.344 -1.526
356 HA ASP 44 HA ASP 44 -9.433 0.538 0.541
357 HB2 ASP 44 HB2 ASP 44 -11.108 -1.193 -0.101
358 HB3 ASP 44 HB3 ASP 44 -10.074 -2.421 0.627
359 H VAL 45 H VAL 45 -7.415 -2.338 0.299
360 HA VAL 45 HA VAL 45 -6.556 -2.404 2.987
361 HB VAL 45 HB VAL 45 -5.140 -3.395 0.503
362 HG11 VAL 45 HG11 VAL 45 -3.854 -4.822 1.997
363 HG12 VAL 45 HG12 VAL 45 -4.654 -4.100 3.394
364 HG13 VAL 45 HG13 VAL 45 -3.592 -3.121 2.380
365 HG21 VAL 45 HG21 VAL 45 -7.324 -4.420 0.812
366 HG22 VAL 45 HG22 VAL 45 -6.919 -4.817 2.482
367 HG23 VAL 45 HG23 VAL 45 -6.043 -5.584 1.158
368 H PHE 46 H PHE 46 -5.276 -0.777 0.111
369 HA PHE 46 HA PHE 46 -2.972 0.282 1.371
370 HB2 PHE 46 HB2 PHE 46 -3.132 0.157 -1.057
371 HB3 PHE 46 HB3 PHE 46 -4.502 1.261 -1.052
372 HD1 PHE 46 HD1 PHE 46 -1.016 1.184 0.301
373 HD2 PHE 46 HD2 PHE 46 -4.049 3.408 -1.691
374 HE1 PHE 46 HE1 PHE 46 0.526 3.087 0.086
375 HE2 PHE 46 HE2 PHE 46 -2.507 5.316 -1.910
376 HZ PHE 46 HZ PHE 46 -0.218 5.155 -1.017
377 H ARG 47 H ARG 47 -6.257 1.524 0.900
378 HA ARG 47 HA ARG 47 -5.720 4.065 2.040
379 HB2 ARG 47 HB2 ARG 47 -7.694 3.577 0.584
380 HB3 ARG 47 HB3 ARG 47 -8.403 2.677 1.920
381 HG2 ARG 47 HG2 ARG 47 -8.562 4.638 3.262
382 HG3 ARG 47 HG3 ARG 47 -7.604 5.570 2.112
383 HD2 ARG 47 HD2 ARG 47 -9.402 5.276 0.439
384 HD3 ARG 47 HD3 ARG 47 -10.364 4.435 1.654
385 HE ARG 47 HE ARG 47 -9.819 6.761 2.884
386 HH11 ARG 47 HH11 ARG 47 -11.088 6.041 -0.311
387 HH12 ARG 47 HH12 ARG 47 -11.950 7.545 -0.438
388 HH21 ARG 47 HH21 ARG 47 -10.970 8.731 2.708
389 HH22 ARG 47 HH22 ARG 47 -11.892 9.056 1.274
390 H LYS 48 H LYS 48 -6.659 0.959 3.396
391 HA LYS 48 HA LYS 48 -7.240 1.688 6.013
392 HB2 LYS 48 HB2 LYS 48 -5.765 -0.701 4.917
393 HB3 LYS 48 HB3 LYS 48 -6.090 -0.516 6.633
394 HG2 LYS 48 HG2 LYS 48 -8.493 -0.492 6.158
395 HG3 LYS 48 HG3 LYS 48 -8.143 -0.715 4.439
396 HD2 LYS 48 HD2 LYS 48 -7.074 -2.834 4.886
397 HD3 LYS 48 HD3 LYS 48 -7.267 -2.602 6.624
398 HE2 LYS 48 HE2 LYS 48 -9.494 -2.911 4.612
399 HE3 LYS 48 HE3 LYS 48 -8.934 -4.152 5.734
400 HZ1 LYS 48 HZ1 LYS 48 -9.498 -2.445 7.532
401 HZ2 LYS 48 HZ2 LYS 48 -10.783 -3.240 6.765
402 HZ3 LYS 48 HZ3 LYS 48 -10.391 -1.651 6.323
403 H ALA 49 H ALA 49 -4.089 1.056 4.520
404 HA ALA 49 HA ALA 49 -2.518 1.564 6.790
405 HB1 ALA 49 HB1 ALA 49 -1.670 0.422 4.799
406 HB2 ALA 49 HB2 ALA 49 -0.653 1.792 5.247
407 HB3 ALA 49 HB3 ALA 49 -1.776 1.931 3.893
408 H LYS 50 H LYS 50 -3.598 3.689 4.167
409 HA LYS 50 HA LYS 50 -2.189 5.974 5.083
410 HB2 LYS 50 HB2 LYS 50 -4.656 5.783 3.334
411 HB3 LYS 50 HB3 LYS 50 -3.699 7.239 3.564
412 HG2 LYS 50 HG2 LYS 50 -2.294 4.808 2.618
413 HG3 LYS 50 HG3 LYS 50 -3.370 5.625 1.490
414 HD2 LYS 50 HD2 LYS 50 -1.100 6.434 1.217
415 HD3 LYS 50 HD3 LYS 50 -2.127 7.719 1.843
416 HE2 LYS 50 HE2 LYS 50 -0.563 6.020 3.737
417 HE3 LYS 50 HE3 LYS 50 0.255 7.303 2.849
418 HZ1 LYS 50 HZ1 LYS 50 -0.607 7.951 5.085
419 HZ2 LYS 50 HZ2 LYS 50 -2.177 7.751 4.490
420 HZ3 LYS 50 HZ3 LYS 50 -1.163 8.921 3.815
421 H GLU 51 H GLU 51 -5.293 4.613 5.876
422 HA GLU 51 HA GLU 51 -6.286 6.852 7.343
423 HB2 GLU 51 HB2 GLU 51 -7.744 5.084 6.445
424 HB3 GLU 51 HB3 GLU 51 -6.973 3.905 7.494
425 HG2 GLU 51 HG2 GLU 51 -7.808 5.156 9.449
426 HG3 GLU 51 HG3 GLU 51 -8.648 6.252 8.352
427 H HIS 52 H HIS 52 -4.340 4.048 8.039
428 HA HIS 52 HA HIS 52 -4.298 4.395 10.884
429 HB2 HIS 52 HB2 HIS 52 -4.006 2.212 9.648
430 HB3 HIS 52 HB3 HIS 52 -2.415 2.775 9.159
431 HD1 HIS 52 HD1 HIS 52 -4.218 1.134 11.891
432 HD2 HIS 52 HD2 HIS 52 -0.558 3.040 11.365
433 HE1 HIS 52 HE1 HIS 52 -2.797 0.434 13.847
434 HE2 HIS 52 HE2 HIS 52 -0.517 1.391 13.357
435 H LEU 53 H LEU 53 -2.287 5.335 8.174
436 HA LEU 53 HA LEU 53 -0.785 7.096 9.952
437 HB2 LEU 53 HB2 LEU 53 1.244 6.502 8.401
438 HB3 LEU 53 HB3 LEU 53 0.870 5.569 9.828
439 HG LEU 53 HG LEU 53 -0.546 4.231 7.904
440 HD11 LEU 53 HD11 LEU 53 0.420 5.500 6.089
441 HD12 LEU 53 HD12 LEU 53 1.045 3.849 6.067
442 HD13 LEU 53 HD13 LEU 53 2.047 5.163 6.685
443 HD21 LEU 53 HD21 LEU 53 0.857 3.350 9.720
444 HD22 LEU 53 HD22 LEU 53 2.292 3.715 8.757
445 HD23 LEU 53 HD23 LEU 53 1.123 2.525 8.182
446 H GLY 54 H GLY 54 -1.614 8.986 9.224
447 HA2 GLY 54 HA2 GLY 54 -2.165 9.577 6.517
448 HA3 GLY 54 HA3 GLY 54 -1.980 10.755 7.809
449 H GLY 55 H GLY 55 0.474 10.818 8.566
450 HA2 GLY 55 HA2 GLY 55 2.745 10.914 8.000
451 HA3 GLY 55 HA3 GLY 55 2.335 10.495 6.344
452 H LEU 56 H LEU 56 0.894 12.269 5.286
453 HA LEU 56 HA LEU 56 2.250 14.837 5.765
454 HB2 LEU 56 HB2 LEU 56 0.928 13.798 3.259
455 HB3 LEU 56 HB3 LEU 56 1.684 15.372 3.425
456 HG LEU 56 HG LEU 56 3.106 12.713 3.621
457 HD11 LEU 56 HD11 LEU 56 3.146 14.811 1.458
458 HD12 LEU 56 HD12 LEU 56 2.379 13.228 1.352
459 HD13 LEU 56 HD13 LEU 56 4.132 13.349 1.503
460 HD21 LEU 56 HD21 LEU 56 4.145 14.405 5.037
461 HD22 LEU 56 HD22 LEU 56 4.193 15.528 3.679
462 HD23 LEU 56 HD23 LEU 56 5.157 14.052 3.636
463 H GLU 57 H GLU 57 -0.846 13.538 4.611
464 HA GLU 57 HA GLU 57 -2.996 14.091 5.005
465 HB2 GLU 57 HB2 GLU 57 -1.755 15.408 7.409
466 HB3 GLU 57 HB3 GLU 57 -3.490 15.384 7.131
467 HG2 GLU 57 HG2 GLU 57 -3.380 12.904 7.065
468 HG3 GLU 57 HG3 GLU 57 -1.681 13.017 7.520
469 H HIS 58 H HIS 58 -1.256 15.902 3.378
470 HA HIS 58 HA HIS 58 -2.537 18.466 3.729
471 HB2 HIS 58 HB2 HIS 58 -1.343 19.190 1.729
472 HB3 HIS 58 HB3 HIS 58 -0.241 18.391 2.839
473 HD1 HIS 58 HD1 HIS 58 -1.625 18.204 -0.589
474 HD2 HIS 58 HD2 HIS 58 0.746 15.891 1.924
475 HE1 HIS 58 HE1 HIS 58 -0.525 16.498 -2.074
476 HE2 HIS 58 HE2 HIS 58 1.144 15.359 -0.575
477 H HIS 59 H HIS 59 -4.095 19.371 2.335
478 HA HIS 59 HA HIS 59 -6.164 17.515 1.897
479 HB2 HIS 59 HB2 HIS 59 -7.478 19.430 1.049
480 HB3 HIS 59 HB3 HIS 59 -6.695 19.763 2.587
481 HD1 HIS 59 HD1 HIS 59 -5.484 21.906 2.715
482 HD2 HIS 59 HD2 HIS 59 -5.966 20.636 -1.212
483 HE1 HIS 59 HE1 HIS 59 -4.604 23.780 1.282
484 HE2 HIS 59 HE2 HIS 59 -5.076 23.063 -1.093
485 H HIS 60 H HIS 60 -7.231 16.830 0.084
486 HA HIS 60 HA HIS 60 -6.306 17.564 -2.547
487 HB2 HIS 60 HB2 HIS 60 -4.722 15.755 -1.833
488 HB3 HIS 60 HB3 HIS 60 -6.098 14.669 -1.686
489 HD1 HIS 60 HD1 HIS 60 -3.676 15.975 -4.084
490 HD2 HIS 60 HD2 HIS 60 -7.407 14.146 -4.243
491 HE1 HIS 60 HE1 HIS 60 -3.932 15.159 -6.447
492 HE2 HIS 60 HE2 HIS 60 -6.297 14.298 -6.575
493 H HIS 61 H HIS 61 -8.446 18.293 -2.746
494 HA HIS 61 HA HIS 61 -10.466 16.155 -2.930
495 HB2 HIS 61 HB2 HIS 61 -10.722 19.061 -2.210
496 HB3 HIS 61 HB3 HIS 61 -12.105 18.146 -2.794
497 HD1 HIS 61 HD1 HIS 61 -13.479 17.199 -1.005
498 HD2 HIS 61 HD2 HIS 61 -9.512 17.625 0.169
499 HE1 HIS 61 HE1 HIS 61 -13.399 16.458 1.398
500 HE2 HIS 61 HE2 HIS 61 -11.032 16.903 2.134
501 H HIS 62 H HIS 62 -11.207 15.669 -4.850
502 HA HIS 62 HA HIS 62 -11.859 15.754 -7.008
503 HB2 HIS 62 HB2 HIS 62 -11.794 18.720 -6.479
504 HB3 HIS 62 HB3 HIS 62 -12.243 18.057 -8.047
505 HD1 HIS 62 HD1 HIS 62 -13.660 19.001 -4.848
506 HD2 HIS 62 HD2 HIS 62 -14.565 16.233 -7.822
507 HE1 HIS 62 HE1 HIS 62 -16.051 18.341 -4.457
508 HE2 HIS 62 HE2 HIS 62 -16.509 16.523 -6.139
509 H HIS 63 H HIS 63 -10.562 14.985 -8.456
510 HA HIS 63 HA HIS 63 -8.868 14.697 -9.932
511 HB2 HIS 63 HB2 HIS 63 -8.425 17.670 -9.569
512 HB3 HIS 63 HB3 HIS 63 -7.593 16.674 -10.755
513 HD1 HIS 63 HD1 HIS 63 -8.929 15.916 -12.829
514 HD2 HIS 63 HD2 HIS 63 -11.083 18.311 -10.191
515 HE1 HIS 63 HE1 HIS 63 -10.988 16.639 -14.086
516 HE2 HIS 63 HE2 HIS 63 -12.359 17.929 -12.409
Start of MODEL 20
1 H1 MET 1 H1 MET 1 -1.423 -17.467 0.098
2 H2 MET 1 H2 MET 1 -0.315 -18.550 -0.593
3 H3 MET 1 H3 MET 1 -0.808 -17.175 -1.456
4 HA MET 1 HA MET 1 0.222 -15.751 0.196
5 HB2 MET 1 HB2 MET 1 1.102 -18.401 1.350
6 HB3 MET 1 HB3 MET 1 1.861 -16.869 1.760
7 HG2 MET 1 HG2 MET 1 -0.289 -16.052 2.609
8 HG3 MET 1 HG3 MET 1 -1.016 -17.612 2.236
9 HE1 MET 1 HE1 MET 1 -0.419 -19.865 3.474
10 HE2 MET 1 HE2 MET 1 0.841 -20.008 4.696
11 HE3 MET 1 HE3 MET 1 1.275 -19.654 3.023
12 H GLY 2 H GLY 2 2.620 -15.340 0.201
13 HA2 GLY 2 HA2 GLY 2 4.729 -16.228 -0.923
14 HA3 GLY 2 HA3 GLY 2 3.707 -16.367 -2.350
15 H GLU 3 H GLU 3 4.528 -14.005 0.141
16 HA GLU 3 HA GLU 3 4.885 -11.782 0.140
17 HB2 GLU 3 HB2 GLU 3 5.486 -12.187 -2.794
18 HB3 GLU 3 HB3 GLU 3 5.754 -10.685 -1.923
19 HG2 GLU 3 HG2 GLU 3 7.126 -13.326 -1.502
20 HG3 GLU 3 HG3 GLU 3 7.836 -11.813 -2.060
21 H LEU 4 H LEU 4 4.017 -9.669 -0.737
22 HA LEU 4 HA LEU 4 1.166 -10.102 -0.982
23 HB2 LEU 4 HB2 LEU 4 2.689 -7.519 -0.718
24 HB3 LEU 4 HB3 LEU 4 0.959 -7.728 -0.534
25 HG LEU 4 HG LEU 4 3.114 -8.778 1.296
26 HD11 LEU 4 HD11 LEU 4 0.899 -6.777 1.683
27 HD12 LEU 4 HD12 LEU 4 2.622 -6.423 1.565
28 HD13 LEU 4 HD13 LEU 4 2.004 -7.342 2.937
29 HD21 LEU 4 HD21 LEU 4 1.305 -9.677 2.663
30 HD22 LEU 4 HD22 LEU 4 1.334 -10.432 1.069
31 HD23 LEU 4 HD23 LEU 4 0.131 -9.196 1.437
32 H SER 5 H SER 5 -0.093 -9.552 -2.631
33 HA SER 5 HA SER 5 1.205 -8.793 -5.139
34 HB2 SER 5 HB2 SER 5 -0.247 -10.792 -5.129
35 HB3 SER 5 HB3 SER 5 -1.597 -9.801 -4.587
36 HG SER 5 HG SER 5 -1.836 -9.917 -6.750
37 H TRP 6 H TRP 6 1.186 -6.716 -5.682
38 HA TRP 6 HA TRP 6 -0.747 -4.919 -4.459
39 HB2 TRP 6 HB2 TRP 6 1.820 -4.533 -5.959
40 HB3 TRP 6 HB3 TRP 6 0.681 -3.199 -5.806
41 HD1 TRP 6 HD1 TRP 6 2.623 -5.629 -3.469
42 HE1 TRP 6 HE1 TRP 6 3.145 -4.360 -1.286
43 HE3 TRP 6 HE3 TRP 6 0.205 -1.237 -4.479
44 HZ2 TRP 6 HZ2 TRP 6 2.605 -1.834 -0.153
45 HZ3 TRP 6 HZ3 TRP 6 0.264 0.557 -2.794
46 HH2 TRP 6 HH2 TRP 6 1.440 0.262 -0.678
47 H THR 7 H THR 7 -2.403 -4.022 -5.495
48 HA THR 7 HA THR 7 -3.009 -5.062 -8.141
49 HB THR 7 HB THR 7 -5.276 -4.034 -7.695
50 HG1 THR 7 HG1 THR 7 -4.274 -3.756 -5.035
51 HG21 THR 7 HG21 THR 7 -4.842 -6.403 -7.293
52 HG22 THR 7 HG22 THR 7 -5.927 -5.752 -6.063
53 HG23 THR 7 HG23 THR 7 -4.227 -6.030 -5.684
54 H ALA 8 H ALA 8 -4.141 -3.605 -9.690
55 HA ALA 8 HA ALA 8 -2.537 -1.429 -10.435
56 HB1 ALA 8 HB1 ALA 8 -5.380 -1.981 -11.278
57 HB2 ALA 8 HB2 ALA 8 -3.950 -2.731 -11.984
58 HB3 ALA 8 HB3 ALA 8 -4.197 -0.994 -12.136
59 H GLU 9 H GLU 9 -5.527 -1.607 -8.593
60 HA GLU 9 HA GLU 9 -5.962 1.194 -8.443
61 HB2 GLU 9 HB2 GLU 9 -6.948 -1.119 -6.799
62 HB3 GLU 9 HB3 GLU 9 -7.412 0.545 -6.460
63 HG2 GLU 9 HG2 GLU 9 -7.874 -0.909 -9.057
64 HG3 GLU 9 HG3 GLU 9 -9.086 -0.615 -7.808
65 H ALA 10 H ALA 10 -4.041 -1.040 -6.572
66 HA ALA 10 HA ALA 10 -3.548 0.753 -4.404
67 HB1 ALA 10 HB1 ALA 10 -1.825 -0.832 -3.740
68 HB2 ALA 10 HB2 ALA 10 -1.972 -1.660 -5.290
69 HB3 ALA 10 HB3 ALA 10 -3.321 -1.669 -4.154
70 H GLU 11 H GLU 11 -1.615 -0.271 -7.227
71 HA GLU 11 HA GLU 11 0.562 1.448 -6.777
72 HB2 GLU 11 HB2 GLU 11 -0.512 0.271 -9.342
73 HB3 GLU 11 HB3 GLU 11 1.001 1.157 -9.241
74 HG2 GLU 11 HG2 GLU 11 0.384 -1.363 -7.716
75 HG3 GLU 11 HG3 GLU 11 1.283 -1.292 -9.229
76 H LYS 12 H LYS 12 -2.524 1.978 -8.361
77 HA LYS 12 HA LYS 12 -1.898 4.398 -9.651
78 HB2 LYS 12 HB2 LYS 12 -3.895 3.080 -10.192
79 HB3 LYS 12 HB3 LYS 12 -4.564 3.435 -8.606
80 HG2 LYS 12 HG2 LYS 12 -4.721 5.783 -9.153
81 HG3 LYS 12 HG3 LYS 12 -3.943 5.497 -10.711
82 HD2 LYS 12 HD2 LYS 12 -5.801 4.099 -11.408
83 HD3 LYS 12 HD3 LYS 12 -6.568 4.298 -9.831
84 HE2 LYS 12 HE2 LYS 12 -6.795 6.688 -10.224
85 HE3 LYS 12 HE3 LYS 12 -5.967 6.527 -11.773
86 HZ1 LYS 12 HZ1 LYS 12 -8.407 6.628 -11.978
87 HZ2 LYS 12 HZ2 LYS 12 -8.529 5.186 -11.090
88 HZ3 LYS 12 HZ3 LYS 12 -7.757 5.187 -12.600
89 H MET 13 H MET 13 -3.319 3.759 -6.453
90 HA MET 13 HA MET 13 -3.446 6.544 -5.773
91 HB2 MET 13 HB2 MET 13 -3.641 4.077 -4.036
92 HB3 MET 13 HB3 MET 13 -3.929 5.718 -3.473
93 HG2 MET 13 HG2 MET 13 -5.772 5.927 -5.085
94 HG3 MET 13 HG3 MET 13 -5.500 4.256 -5.580
95 HE1 MET 13 HE1 MET 13 -4.760 2.945 -2.720
96 HE2 MET 13 HE2 MET 13 -5.766 2.189 -3.955
97 HE3 MET 13 HE3 MET 13 -6.347 2.306 -2.292
98 H LEU 14 H LEU 14 -1.096 4.003 -5.457
99 HA LEU 14 HA LEU 14 0.689 5.403 -3.731
100 HB2 LEU 14 HB2 LEU 14 0.770 2.959 -4.097
101 HB3 LEU 14 HB3 LEU 14 1.255 3.231 -5.758
102 HG LEU 14 HG LEU 14 3.356 4.257 -4.967
103 HD11 LEU 14 HD11 LEU 14 2.568 5.115 -2.833
104 HD12 LEU 14 HD12 LEU 14 3.973 4.072 -2.608
105 HD13 LEU 14 HD13 LEU 14 2.359 3.469 -2.236
106 HD21 LEU 14 HD21 LEU 14 4.388 2.196 -4.131
107 HD22 LEU 14 HD22 LEU 14 3.301 1.881 -5.483
108 HD23 LEU 14 HD23 LEU 14 2.784 1.520 -3.836
109 H GLY 15 H GLY 15 -0.170 5.679 -7.020
110 HA2 GLY 15 HA2 GLY 15 2.201 6.906 -8.015
111 HA3 GLY 15 HA3 GLY 15 0.603 6.984 -8.744
112 H LYS 16 H LYS 16 -0.206 7.976 -5.907
113 HA LYS 16 HA LYS 16 0.026 10.770 -6.494
114 HB2 LYS 16 HB2 LYS 16 -1.991 9.746 -5.469
115 HB3 LYS 16 HB3 LYS 16 -1.034 9.345 -4.048
116 HG2 LYS 16 HG2 LYS 16 -0.704 11.641 -3.545
117 HG3 LYS 16 HG3 LYS 16 -1.456 12.125 -5.062
118 HD2 LYS 16 HD2 LYS 16 -2.888 10.585 -2.908
119 HD3 LYS 16 HD3 LYS 16 -2.924 12.345 -3.033
120 HE2 LYS 16 HE2 LYS 16 -3.894 12.179 -5.261
121 HE3 LYS 16 HE3 LYS 16 -3.825 10.421 -5.176
122 HZ1 LYS 16 HZ1 LYS 16 -6.033 11.345 -4.689
123 HZ2 LYS 16 HZ2 LYS 16 -5.397 12.132 -3.324
124 HZ3 LYS 16 HZ3 LYS 16 -5.407 10.436 -3.402
125 H VAL 17 H VAL 17 1.859 8.442 -4.901
126 HA VAL 17 HA VAL 17 3.116 10.270 -3.012
127 HB VAL 17 HB VAL 17 3.569 7.325 -3.515
128 HG11 VAL 17 HG11 VAL 17 4.725 7.346 -1.341
129 HG12 VAL 17 HG12 VAL 17 4.557 9.100 -1.288
130 HG13 VAL 17 HG13 VAL 17 5.541 8.348 -2.544
131 HG21 VAL 17 HG21 VAL 17 1.995 8.718 -1.359
132 HG22 VAL 17 HG22 VAL 17 2.327 6.988 -1.431
133 HG23 VAL 17 HG23 VAL 17 1.341 7.747 -2.680
134 HA PRO 18 HA PRO 18 6.458 11.250 -5.832
135 HB2 PRO 18 HB2 PRO 18 7.978 11.584 -3.303
136 HB3 PRO 18 HB3 PRO 18 7.762 12.713 -4.644
137 HG2 PRO 18 HG2 PRO 18 6.479 13.071 -2.332
138 HG3 PRO 18 HG3 PRO 18 5.697 13.433 -3.884
139 HD2 PRO 18 HD2 PRO 18 5.318 11.091 -2.069
140 HD3 PRO 18 HD3 PRO 18 4.122 11.968 -3.044
141 H PHE 19 H PHE 19 8.332 10.300 -6.577
142 HA PHE 19 HA PHE 19 8.399 7.504 -6.096
143 HB2 PHE 19 HB2 PHE 19 8.908 8.864 -8.264
144 HB3 PHE 19 HB3 PHE 19 10.544 8.950 -7.615
145 HD1 PHE 19 HD1 PHE 19 7.882 6.661 -8.690
146 HD2 PHE 19 HD2 PHE 19 12.001 7.105 -7.748
147 HE1 PHE 19 HE1 PHE 19 8.322 4.410 -9.593
148 HE2 PHE 19 HE2 PHE 19 12.459 4.860 -8.644
149 HZ PHE 19 HZ PHE 19 10.615 3.507 -9.567
150 H PHE 20 H PHE 20 10.122 10.146 -4.759
151 HA PHE 20 HA PHE 20 12.565 8.974 -4.083
152 HB2 PHE 20 HB2 PHE 20 11.062 10.980 -2.391
153 HB3 PHE 20 HB3 PHE 20 12.803 10.724 -2.447
154 HD1 PHE 20 HD2 PHE 20 13.969 11.168 -4.703
155 HD2 PHE 20 HD1 PHE 20 10.082 12.593 -3.718
156 HE1 PHE 20 HE2 PHE 20 14.158 12.889 -6.450
157 HE2 PHE 20 HE1 PHE 20 10.267 14.316 -5.464
158 HZ PHE 20 HZ PHE 20 12.309 14.466 -6.831
159 H VAL 21 H VAL 21 9.421 8.796 -2.528
160 HA VAL 21 HA VAL 21 10.570 6.996 -0.495
161 HB VAL 21 HB VAL 21 8.799 7.749 1.054
162 HG11 VAL 21 HG11 VAL 21 10.519 9.977 -0.033
163 HG12 VAL 21 HG12 VAL 21 11.007 8.774 1.160
164 HG13 VAL 21 HG13 VAL 21 9.754 9.948 1.555
165 HG21 VAL 21 HG21 VAL 21 7.128 8.468 -0.552
166 HG22 VAL 21 HG22 VAL 21 8.182 9.771 -1.102
167 HG23 VAL 21 HG23 VAL 21 7.529 9.797 0.537
168 H ARG 22 H ARG 22 9.210 6.571 -3.192
169 HA ARG 22 HA ARG 22 6.602 5.607 -2.758
170 HB2 ARG 22 HB2 ARG 22 7.793 6.162 -4.998
171 HB3 ARG 22 HB3 ARG 22 8.386 4.507 -4.915
172 HG2 ARG 22 HG2 ARG 22 6.030 3.734 -4.741
173 HG3 ARG 22 HG3 ARG 22 5.515 5.401 -5.011
174 HD2 ARG 22 HD2 ARG 22 6.958 5.281 -7.135
175 HD3 ARG 22 HD3 ARG 22 6.923 3.534 -6.891
176 HE ARG 22 HE ARG 22 4.583 5.249 -7.417
177 HH11 ARG 22 HH11 ARG 22 6.083 2.073 -7.362
178 HH12 ARG 22 HH12 ARG 22 4.737 1.285 -8.133
179 HH21 ARG 22 HH21 ARG 22 2.836 4.205 -8.474
180 HH22 ARG 22 HH22 ARG 22 2.907 2.496 -8.762
181 H LYS 23 H LYS 23 9.757 4.019 -2.682
182 HA LYS 23 HA LYS 23 8.713 1.398 -2.266
183 HB2 LYS 23 HB2 LYS 23 11.440 2.596 -1.804
184 HB3 LYS 23 HB3 LYS 23 11.072 0.913 -1.455
185 HG2 LYS 23 HG2 LYS 23 10.876 2.257 -4.139
186 HG3 LYS 23 HG3 LYS 23 12.125 1.123 -3.622
187 HD2 LYS 23 HD2 LYS 23 9.177 0.523 -3.916
188 HD3 LYS 23 HD3 LYS 23 10.460 0.002 -5.009
189 HE2 LYS 23 HE2 LYS 23 10.261 -0.754 -2.095
190 HE3 LYS 23 HE3 LYS 23 9.718 -1.765 -3.431
191 HZ1 LYS 23 HZ1 LYS 23 11.894 -2.445 -2.713
192 HZ2 LYS 23 HZ2 LYS 23 12.509 -0.876 -2.920
193 HZ3 LYS 23 HZ3 LYS 23 12.008 -1.774 -4.268
194 H LYS 24 H LYS 24 9.742 4.007 -0.160
195 HA LYS 24 HA LYS 24 9.675 2.651 2.285
196 HB2 LYS 24 HB2 LYS 24 10.623 4.889 2.050
197 HB3 LYS 24 HB3 LYS 24 9.034 5.544 1.680
198 HG2 LYS 24 HG2 LYS 24 8.262 4.966 3.917
199 HG3 LYS 24 HG3 LYS 24 9.844 4.278 4.289
200 HD2 LYS 24 HD2 LYS 24 10.873 6.476 3.930
201 HD3 LYS 24 HD3 LYS 24 9.281 7.158 3.587
202 HE2 LYS 24 HE2 LYS 24 10.002 7.603 5.895
203 HE3 LYS 24 HE3 LYS 24 8.536 6.624 5.830
204 HZ1 LYS 24 HZ1 LYS 24 11.257 5.496 6.185
205 HZ2 LYS 24 HZ2 LYS 24 9.780 4.674 6.336
206 HZ3 LYS 24 HZ3 LYS 24 10.211 5.862 7.468
207 H VAL 25 H VAL 25 7.129 4.482 0.606
208 HA VAL 25 HA VAL 25 5.112 4.000 2.522
209 HB VAL 25 HB VAL 25 4.790 4.567 -0.433
210 HG11 VAL 25 HG11 VAL 25 2.761 3.628 0.572
211 HG12 VAL 25 HG12 VAL 25 2.543 5.325 0.145
212 HG13 VAL 25 HG13 VAL 25 2.811 4.866 1.826
213 HG21 VAL 25 HG21 VAL 25 4.817 6.424 1.946
214 HG22 VAL 25 HG22 VAL 25 4.459 6.894 0.284
215 HG23 VAL 25 HG23 VAL 25 6.064 6.300 0.707
216 H ARG 26 H ARG 26 6.032 2.263 -0.440
217 HA ARG 26 HA ARG 26 4.018 0.325 -0.425
218 HB2 ARG 26 HB2 ARG 26 5.607 0.547 -2.292
219 HB3 ARG 26 HB3 ARG 26 6.913 -0.018 -1.254
220 HG2 ARG 26 HG2 ARG 26 5.666 -2.153 -0.966
221 HG3 ARG 26 HG3 ARG 26 4.511 -1.582 -2.167
222 HD2 ARG 26 HD2 ARG 26 7.455 -2.060 -2.587
223 HD3 ARG 26 HD3 ARG 26 6.138 -3.066 -3.182
224 HE ARG 26 HE ARG 26 7.213 -0.830 -4.466
225 HH11 ARG 26 HH11 ARG 26 4.051 -2.150 -3.714
226 HH12 ARG 26 HH12 ARG 26 3.296 -1.464 -5.126
227 HH21 ARG 26 HH21 ARG 26 6.218 0.028 -6.328
228 HH22 ARG 26 HH22 ARG 26 4.516 -0.257 -6.602
229 H LYS 27 H LYS 27 7.157 0.376 1.169
230 HA LYS 27 HA LYS 27 7.061 -2.153 2.366
231 HB2 LYS 27 HB2 LYS 27 9.108 -0.860 2.150
232 HB3 LYS 27 HB3 LYS 27 8.470 0.381 3.214
233 HG2 LYS 27 HG2 LYS 27 8.637 -1.021 5.107
234 HG3 LYS 27 HG3 LYS 27 8.913 -2.453 4.111
235 HD2 LYS 27 HD2 LYS 27 10.980 -1.589 5.174
236 HD3 LYS 27 HD3 LYS 27 11.062 -1.612 3.412
237 HE2 LYS 27 HE2 LYS 27 10.317 0.824 3.515
238 HE3 LYS 27 HE3 LYS 27 10.688 0.747 5.237
239 HZ1 LYS 27 HZ1 LYS 27 12.956 0.207 4.733
240 HZ2 LYS 27 HZ2 LYS 27 12.531 1.604 3.866
241 HZ3 LYS 27 HZ3 LYS 27 12.616 0.111 3.072
242 H ASN 28 H ASN 28 5.643 0.907 3.313
243 HA ASN 28 HA ASN 28 5.086 0.200 6.011
244 HB2 ASN 28 HB2 ASN 28 3.804 2.244 4.184
245 HB3 ASN 28 HB3 ASN 28 3.415 2.074 5.891
246 HD21 ASN 28 HD21 ASN 28 4.489 4.340 4.485
247 HD22 ASN 28 HD22 ASN 28 5.996 4.726 5.239
248 H THR 29 H THR 29 3.175 0.171 3.026
249 HA THR 29 HA THR 29 0.850 -0.945 4.214
250 HB THR 29 HB THR 29 1.204 -1.549 1.401
251 HG1 THR 29 HG1 THR 29 1.999 0.310 0.766
252 HG21 THR 29 HG21 THR 29 -0.709 0.224 2.898
253 HG22 THR 29 HG22 THR 29 -0.956 -1.482 2.525
254 HG23 THR 29 HG23 THR 29 -0.885 -0.293 1.224
255 H ASP 30 H ASP 30 3.698 -2.283 2.659
256 HA ASP 30 HA ASP 30 2.827 -4.922 2.310
257 HB2 ASP 30 HB2 ASP 30 4.997 -3.847 1.478
258 HB3 ASP 30 HB3 ASP 30 5.644 -4.146 3.086
259 H ASN 31 H ASN 31 4.315 -3.290 5.060
260 HA ASN 31 HA ASN 31 4.165 -5.596 6.754
261 HB2 ASN 31 HB2 ASN 31 4.857 -2.714 7.205
262 HB3 ASN 31 HB3 ASN 31 4.593 -3.792 8.573
263 HD21 ASN 31 HD21 ASN 31 6.629 -3.046 5.857
264 HD22 ASN 31 HD22 ASN 31 7.954 -4.064 6.319
265 H TYR 32 H TYR 32 2.026 -3.013 5.887
266 HA TYR 32 HA TYR 32 0.294 -3.216 8.147
267 HB2 TYR 32 HB2 TYR 32 0.219 -1.222 6.769
268 HB3 TYR 32 HB3 TYR 32 -0.205 -2.170 5.347
269 HD1 TYR 32 HD1 TYR 32 -1.448 -1.238 8.733
270 HD2 TYR 32 HD2 TYR 32 -2.448 -2.532 4.805
271 HE1 TYR 32 HE1 TYR 32 -3.834 -0.950 9.249
272 HE2 TYR 32 HE2 TYR 32 -4.836 -2.244 5.312
273 HH TYR 32 HH TYR 32 -6.299 -2.199 7.300
274 H ALA 33 H ALA 33 0.073 -4.461 4.824
275 HA ALA 33 HA ALA 33 -2.226 -6.036 5.275
276 HB1 ALA 33 HB1 ALA 33 -1.660 -7.135 3.170
277 HB2 ALA 33 HB2 ALA 33 -0.057 -6.403 3.211
278 HB3 ALA 33 HB3 ALA 33 -1.485 -5.385 3.038
279 H ARG 34 H ARG 34 1.200 -6.614 5.693
280 HA ARG 34 HA ARG 34 1.104 -9.386 6.198
281 HB2 ARG 34 HB2 ARG 34 3.054 -7.326 6.260
282 HB3 ARG 34 HB3 ARG 34 3.103 -8.136 7.820
283 HG2 ARG 34 HG2 ARG 34 4.665 -9.212 6.401
284 HG3 ARG 34 HG3 ARG 34 3.294 -10.305 6.606
285 HD2 ARG 34 HD2 ARG 34 2.396 -9.402 4.436
286 HD3 ARG 34 HD3 ARG 34 3.941 -8.577 4.226
287 HE ARG 34 HE ARG 34 3.759 -11.499 4.533
288 HH11 ARG 34 HH11 ARG 34 4.954 -8.666 2.839
289 HH12 ARG 34 HH12 ARG 34 5.907 -9.590 1.722
290 HH21 ARG 34 HH21 ARG 34 5.020 -12.706 3.098
291 HH22 ARG 34 HH22 ARG 34 5.998 -11.898 1.902
292 H GLU 35 H GLU 35 0.513 -6.581 8.208
293 HA GLU 35 HA GLU 35 0.502 -7.978 10.691
294 HB2 GLU 35 HB2 GLU 35 0.935 -5.573 10.573
295 HB3 GLU 35 HB3 GLU 35 -0.673 -5.299 9.920
296 HG2 GLU 35 HG2 GLU 35 -1.675 -6.028 12.000
297 HG3 GLU 35 HG3 GLU 35 -0.081 -6.402 12.656
298 H ILE 36 H ILE 36 -2.048 -6.829 8.495
299 HA ILE 36 HA ILE 36 -4.123 -7.939 10.147
300 HB ILE 36 HB ILE 36 -5.659 -7.292 8.314
301 HG12 ILE 36 HG12 ILE 36 -3.124 -6.287 6.991
302 HG13 ILE 36 HG13 ILE 36 -4.143 -7.599 6.407
303 HG21 ILE 36 HG21 ILE 36 -5.342 -4.871 8.588
304 HG22 ILE 36 HG22 ILE 36 -3.726 -5.165 9.232
305 HG23 ILE 36 HG23 ILE 36 -5.144 -5.744 10.107
306 HD11 ILE 36 HD11 ILE 36 -4.521 -5.543 5.162
307 HD12 ILE 36 HD12 ILE 36 -4.965 -4.712 6.653
308 HD13 ILE 36 HD13 ILE 36 -5.970 -6.028 6.044
309 H GLY 37 H GLY 37 -2.152 -9.126 7.582
310 HA2 GLY 37 HA2 GLY 37 -1.884 -11.438 7.212
311 HA3 GLY 37 HA3 GLY 37 -3.477 -11.711 7.896
312 H GLU 38 H GLU 38 -3.086 -9.247 5.498
313 HA GLU 38 HA GLU 38 -4.638 -10.886 3.625
314 HB2 GLU 38 HB2 GLU 38 -4.145 -7.899 3.668
315 HB3 GLU 38 HB3 GLU 38 -5.139 -8.743 2.491
316 HG2 GLU 38 HG2 GLU 38 -5.668 -8.608 5.451
317 HG3 GLU 38 HG3 GLU 38 -6.480 -7.651 4.213
318 HA PRO 39 HA PRO 39 -0.852 -11.206 1.293
319 HB2 PRO 39 HB2 PRO 39 -1.699 -12.951 -0.546
320 HB3 PRO 39 HB3 PRO 39 -1.471 -13.428 1.141
321 HG2 PRO 39 HG2 PRO 39 -3.997 -12.768 -0.317
322 HG3 PRO 39 HG3 PRO 39 -3.688 -14.051 0.865
323 HD2 PRO 39 HD2 PRO 39 -4.903 -11.636 1.443
324 HD3 PRO 39 HD3 PRO 39 -4.089 -12.666 2.636
325 H VAL 40 H VAL 40 -3.716 -9.733 0.247
326 HA VAL 40 HA VAL 40 -2.423 -8.888 -2.261
327 HB VAL 40 HB VAL 40 -5.400 -9.271 -1.847
328 HG11 VAL 40 HG11 VAL 40 -5.548 -8.853 -4.260
329 HG12 VAL 40 HG12 VAL 40 -3.814 -8.532 -4.304
330 HG13 VAL 40 HG13 VAL 40 -4.886 -7.468 -3.393
331 HG21 VAL 40 HG21 VAL 40 -5.194 -11.139 -3.421
332 HG22 VAL 40 HG22 VAL 40 -4.247 -11.419 -1.960
333 HG23 VAL 40 HG23 VAL 40 -3.444 -10.922 -3.450
334 H VAL 41 H VAL 41 -2.056 -6.774 -2.360
335 HA VAL 41 HA VAL 41 -3.384 -5.011 -0.439
336 HB VAL 41 HB VAL 41 -1.086 -4.388 -2.308
337 HG11 VAL 41 HG11 VAL 41 -2.182 -2.867 0.056
338 HG12 VAL 41 HG12 VAL 41 -2.364 -2.417 -1.639
339 HG13 VAL 41 HG13 VAL 41 -0.766 -2.419 -0.892
340 HG21 VAL 41 HG21 VAL 41 -0.434 -6.085 -0.701
341 HG22 VAL 41 HG22 VAL 41 -1.064 -5.101 0.622
342 HG23 VAL 41 HG23 VAL 41 0.329 -4.544 -0.304
343 H THR 42 H THR 42 -5.318 -4.452 -1.206
344 HA THR 42 HA THR 42 -5.593 -3.640 -4.009
345 HB THR 42 HB THR 42 -8.057 -3.732 -3.485
346 HG1 THR 42 HG1 THR 42 -8.052 -5.310 -1.392
347 HG21 THR 42 HG21 THR 42 -6.952 -5.604 -4.593
348 HG22 THR 42 HG22 THR 42 -8.172 -6.192 -3.465
349 HG23 THR 42 HG23 THR 42 -6.464 -6.259 -3.030
350 H ALA 43 H ALA 43 -7.583 -1.911 -4.064
351 HA ALA 43 HA ALA 43 -6.696 0.538 -3.098
352 HB1 ALA 43 HB1 ALA 43 -8.923 1.381 -3.641
353 HB2 ALA 43 HB2 ALA 43 -9.533 -0.273 -3.748
354 HB3 ALA 43 HB3 ALA 43 -8.332 0.303 -4.908
355 H ASP 44 H ASP 44 -8.834 -1.850 -1.642
356 HA ASP 44 HA ASP 44 -9.774 -0.334 0.527
357 HB2 ASP 44 HB2 ASP 44 -9.273 -3.314 0.309
358 HB3 ASP 44 HB3 ASP 44 -10.133 -2.552 1.641
359 H VAL 45 H VAL 45 -7.050 -2.576 0.297
360 HA VAL 45 HA VAL 45 -6.229 -2.346 2.970
361 HB VAL 45 HB VAL 45 -4.556 -3.106 0.569
362 HG11 VAL 45 HG11 VAL 45 -4.139 -3.702 3.497
363 HG12 VAL 45 HG12 VAL 45 -3.189 -2.582 2.524
364 HG13 VAL 45 HG13 VAL 45 -3.152 -4.308 2.168
365 HG21 VAL 45 HG21 VAL 45 -6.555 -4.484 0.748
366 HG22 VAL 45 HG22 VAL 45 -6.181 -4.827 2.437
367 HG23 VAL 45 HG23 VAL 45 -5.116 -5.417 1.162
368 H PHE 46 H PHE 46 -5.088 -0.687 0.034
369 HA PHE 46 HA PHE 46 -2.989 0.688 1.356
370 HB2 PHE 46 HB2 PHE 46 -3.081 0.281 -1.108
371 HB3 PHE 46 HB3 PHE 46 -4.369 1.476 -1.218
372 HD1 PHE 46 HD1 PHE 46 -0.819 1.000 -0.312
373 HD2 PHE 46 HD2 PHE 46 -3.876 3.777 -1.331
374 HE1 PHE 46 HE1 PHE 46 0.872 2.770 -0.544
375 HE2 PHE 46 HE2 PHE 46 -2.190 5.555 -1.567
376 HZ PHE 46 HZ PHE 46 0.189 5.051 -1.174
377 H ARG 47 H ARG 47 -6.362 1.486 0.684
378 HA ARG 47 HA ARG 47 -6.220 4.219 1.392
379 HB2 ARG 47 HB2 ARG 47 -8.110 3.209 0.145
380 HB3 ARG 47 HB3 ARG 47 -8.587 2.353 1.604
381 HG2 ARG 47 HG2 ARG 47 -8.995 4.482 2.728
382 HG3 ARG 47 HG3 ARG 47 -8.512 5.346 1.267
383 HD2 ARG 47 HD2 ARG 47 -10.842 3.451 1.536
384 HD3 ARG 47 HD3 ARG 47 -10.937 5.208 1.446
385 HE ARG 47 HE ARG 47 -9.748 3.716 -0.782
386 HH11 ARG 47 HH11 ARG 47 -12.293 5.758 0.486
387 HH12 ARG 47 HH12 ARG 47 -12.996 6.074 -1.072
388 HH21 ARG 47 HH21 ARG 47 -10.671 4.141 -2.847
389 HH22 ARG 47 HH22 ARG 47 -12.073 5.162 -2.966
390 H LYS 48 H LYS 48 -7.177 1.348 3.249
391 HA LYS 48 HA LYS 48 -7.687 2.704 5.674
392 HB2 LYS 48 HB2 LYS 48 -6.853 -0.164 5.223
393 HB3 LYS 48 HB3 LYS 48 -7.553 0.471 6.704
394 HG2 LYS 48 HG2 LYS 48 -9.622 0.973 5.531
395 HG3 LYS 48 HG3 LYS 48 -8.918 0.394 4.020
396 HD2 LYS 48 HD2 LYS 48 -10.297 -1.348 4.938
397 HD3 LYS 48 HD3 LYS 48 -8.607 -1.832 5.087
398 HE2 LYS 48 HE2 LYS 48 -8.613 -1.103 7.424
399 HE3 LYS 48 HE3 LYS 48 -10.304 -0.629 7.272
400 HZ1 LYS 48 HZ1 LYS 48 -10.835 -2.957 6.752
401 HZ2 LYS 48 HZ2 LYS 48 -10.155 -2.776 8.295
402 HZ3 LYS 48 HZ3 LYS 48 -9.213 -3.379 7.021
403 H ALA 49 H ALA 49 -4.801 1.294 4.276
404 HA ALA 49 HA ALA 49 -3.165 1.215 6.530
405 HB1 ALA 49 HB1 ALA 49 -2.337 1.721 3.682
406 HB2 ALA 49 HB2 ALA 49 -2.632 0.135 4.397
407 HB3 ALA 49 HB3 ALA 49 -1.304 1.136 4.987
408 H LYS 50 H LYS 50 -3.728 3.843 4.222
409 HA LYS 50 HA LYS 50 -1.655 5.515 5.021
410 HB2 LYS 50 HB2 LYS 50 -4.368 6.284 3.939
411 HB3 LYS 50 HB3 LYS 50 -2.976 7.355 4.030
412 HG2 LYS 50 HG2 LYS 50 -1.743 5.799 2.544
413 HG3 LYS 50 HG3 LYS 50 -3.222 4.849 2.382
414 HD2 LYS 50 HD2 LYS 50 -3.034 6.305 0.487
415 HD3 LYS 50 HD3 LYS 50 -4.355 6.879 1.504
416 HE2 LYS 50 HE2 LYS 50 -2.899 8.585 2.457
417 HE3 LYS 50 HE3 LYS 50 -1.551 7.992 1.488
418 HZ1 LYS 50 HZ1 LYS 50 -2.891 8.528 -0.513
419 HZ2 LYS 50 HZ2 LYS 50 -2.472 9.888 0.407
420 HZ3 LYS 50 HZ3 LYS 50 -4.040 9.261 0.492
421 H GLU 51 H GLU 51 -4.892 5.149 6.390
422 HA GLU 51 HA GLU 51 -4.556 7.356 8.202
423 HB2 GLU 51 HB2 GLU 51 -6.789 6.655 7.411
424 HB3 GLU 51 HB3 GLU 51 -6.590 5.122 8.251
425 HG2 GLU 51 HG2 GLU 51 -6.415 6.343 10.380
426 HG3 GLU 51 HG3 GLU 51 -6.710 7.850 9.516
427 H HIS 52 H HIS 52 -4.401 3.826 8.434
428 HA HIS 52 HA HIS 52 -4.043 3.759 11.248
429 HB2 HIS 52 HB2 HIS 52 -4.895 1.828 10.020
430 HB3 HIS 52 HB3 HIS 52 -3.371 1.682 9.152
431 HD1 HIS 52 HD1 HIS 52 -4.831 1.255 12.616
432 HD2 HIS 52 HD2 HIS 52 -1.415 0.233 10.465
433 HE1 HIS 52 HE1 HIS 52 -3.585 -0.383 14.051
434 HE2 HIS 52 HE2 HIS 52 -1.444 -0.851 12.819
435 H LEU 53 H LEU 53 -1.817 3.908 8.536
436 HA LEU 53 HA LEU 53 0.507 3.526 10.238
437 HB2 LEU 53 HB2 LEU 53 0.356 4.309 7.324
438 HB3 LEU 53 HB3 LEU 53 1.790 3.784 8.180
439 HG LEU 53 HG LEU 53 -0.632 2.041 7.745
440 HD11 LEU 53 HD11 LEU 53 0.355 2.602 5.607
441 HD12 LEU 53 HD12 LEU 53 0.705 0.926 6.021
442 HD13 LEU 53 HD13 LEU 53 1.952 2.156 6.202
443 HD21 LEU 53 HD21 LEU 53 2.177 1.383 8.616
444 HD22 LEU 53 HD22 LEU 53 0.861 0.232 8.375
445 HD23 LEU 53 HD23 LEU 53 0.759 1.432 9.663
446 H GLY 54 H GLY 54 -1.535 5.990 9.923
447 HA2 GLY 54 HA2 GLY 54 -1.312 8.170 10.693
448 HA3 GLY 54 HA3 GLY 54 0.429 7.945 10.741
449 H GLY 55 H GLY 55 1.253 7.468 8.338
450 HA2 GLY 55 HA2 GLY 55 1.638 8.304 6.237
451 HA3 GLY 55 HA3 GLY 55 -0.033 8.850 6.225
452 H LEU 56 H LEU 56 0.284 10.837 5.373
453 HA LEU 56 HA LEU 56 0.981 12.950 7.078
454 HB2 LEU 56 HB2 LEU 56 2.985 13.814 6.135
455 HB3 LEU 56 HB3 LEU 56 3.297 12.141 6.538
456 HG LEU 56 HG LEU 56 2.632 13.050 3.732
457 HD11 LEU 56 HD11 LEU 56 4.665 14.169 4.516
458 HD12 LEU 56 HD12 LEU 56 5.017 12.972 3.271
459 HD13 LEU 56 HD13 LEU 56 5.349 12.607 4.964
460 HD21 LEU 56 HD21 LEU 56 3.653 10.916 3.098
461 HD22 LEU 56 HD22 LEU 56 2.278 10.670 4.175
462 HD23 LEU 56 HD23 LEU 56 3.922 10.535 4.799
463 H GLU 57 H GLU 57 0.580 11.767 3.811
464 HA GLU 57 HA GLU 57 -0.519 14.343 2.956
465 HB2 GLU 57 HB2 GLU 57 1.265 12.788 1.704
466 HB3 GLU 57 HB3 GLU 57 -0.200 12.037 1.090
467 HG2 GLU 57 HG2 GLU 57 0.588 14.929 0.807
468 HG3 GLU 57 HG3 GLU 57 0.598 13.699 -0.458
469 H HIS 58 H HIS 58 -2.675 14.554 2.387
470 HA HIS 58 HA HIS 58 -4.402 12.189 2.660
471 HB2 HIS 58 HB2 HIS 58 -4.864 14.784 4.157
472 HB3 HIS 58 HB3 HIS 58 -5.926 13.384 4.167
473 HD1 HIS 58 HD1 HIS 58 -5.006 11.228 5.442
474 HD2 HIS 58 HD2 HIS 58 -2.821 14.730 5.981
475 HE1 HIS 58 HE1 HIS 58 -3.551 10.823 7.456
476 HE2 HIS 58 HE2 HIS 58 -2.415 13.033 7.892
477 H HIS 59 H HIS 59 -3.518 14.165 0.494
478 HA HIS 59 HA HIS 59 -5.685 15.872 -0.123
479 HB2 HIS 59 HB2 HIS 59 -3.326 16.061 -0.991
480 HB3 HIS 59 HB3 HIS 59 -3.681 14.717 -2.069
481 HD1 HIS 59 HD1 HIS 59 -4.096 15.555 -4.349
482 HD2 HIS 59 HD2 HIS 59 -5.557 18.154 -1.445
483 HE1 HIS 59 HE1 HIS 59 -5.154 17.459 -5.604
484 HE2 HIS 59 HE2 HIS 59 -6.210 18.906 -3.834
485 H HIS 60 H HIS 60 -7.670 15.168 -0.488
486 HA HIS 60 HA HIS 60 -8.165 12.604 -1.724
487 HB2 HIS 60 HB2 HIS 60 -9.564 13.755 0.143
488 HB3 HIS 60 HB3 HIS 60 -10.275 14.682 -1.174
489 HD1 HIS 60 HD1 HIS 60 -12.180 13.616 -2.391
490 HD2 HIS 60 HD2 HIS 60 -10.030 10.888 -0.099
491 HE1 HIS 60 HE1 HIS 60 -13.483 11.466 -2.493
492 HE2 HIS 60 HE2 HIS 60 -12.289 9.912 -0.905
493 H HIS 61 H HIS 61 -9.552 15.790 -2.472
494 HA HIS 61 HA HIS 61 -8.472 16.169 -4.998
495 HB2 HIS 61 HB2 HIS 61 -10.529 14.171 -5.039
496 HB3 HIS 61 HB3 HIS 61 -11.125 15.601 -5.873
497 HD1 HIS 61 HD1 HIS 61 -10.042 16.201 -8.115
498 HD2 HIS 61 HD2 HIS 61 -8.358 12.869 -6.286
499 HE1 HIS 61 HE1 HIS 61 -8.554 15.153 -9.851
500 HE2 HIS 61 HE2 HIS 61 -7.398 13.257 -8.656
501 H HIS 62 H HIS 62 -11.620 16.356 -3.363
502 HA HIS 62 HA HIS 62 -12.980 18.056 -2.815
503 HB2 HIS 62 HB2 HIS 62 -10.294 19.309 -2.599
504 HB3 HIS 62 HB3 HIS 62 -11.699 20.368 -2.542
505 HD1 HIS 62 HD1 HIS 62 -13.007 20.451 -0.393
506 HD2 HIS 62 HD2 HIS 62 -10.203 17.375 -0.463
507 HE1 HIS 62 HE1 HIS 62 -12.946 19.529 1.949
508 HE2 HIS 62 HE2 HIS 62 -11.144 17.769 1.910
509 H HIS 63 H HIS 63 -13.539 17.554 -5.200
510 HA HIS 63 HA HIS 63 -14.679 19.895 -6.162
511 HB2 HIS 63 HB2 HIS 63 -12.237 20.249 -6.929
512 HB3 HIS 63 HB3 HIS 63 -12.555 18.964 -8.090
513 HD1 HIS 63 HD1 HIS 63 -11.955 22.030 -8.770
514 HD2 HIS 63 HD2 HIS 63 -15.675 20.163 -8.776
515 HE1 HIS 63 HE1 HIS 63 -13.416 23.420 -10.280
516 HE2 HIS 63 HE2 HIS 63 -15.715 22.406 -10.059