Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
25449 | 2k8x RC | 15965 | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 HA2 GLY 0 HA2 GLY 0 -24.452 5.601 -2.474
2 HA3 GLY 0 HA3 GLY 0 -25.852 6.641 -2.689
3 H ALA 1 H ALA 1 -25.806 6.998 -0.410
4 HA ALA 1 HA ALA 1 -27.520 5.283 1.064
5 HB1 ALA 1 HB1 ALA 1 -25.956 4.611 2.841
6 HB2 ALA 1 HB2 ALA 1 -24.619 5.282 1.908
7 HB3 ALA 1 HB3 ALA 1 -25.522 3.901 1.286
8 H GLY 2 H GLY 2 -24.841 7.563 1.498
9 HA2 GLY 2 HA2 GLY 2 -26.541 9.664 2.378
10 HA3 GLY 2 HA3 GLY 2 -25.718 8.909 3.741
11 H SER 3 H SER 3 -25.257 11.571 3.092
12 HA SER 3 HA SER 3 -23.043 11.872 1.318
13 HB2 SER 3 HB2 SER 3 -24.665 13.697 1.892
14 HB3 SER 3 HB3 SER 3 -23.946 13.766 3.501
15 HG SER 3 HG SER 3 -22.287 14.809 2.724
16 H SER 4 H SER 4 -23.379 11.774 4.854
17 HA SER 4 HA SER 4 -20.644 12.066 5.451
18 HB2 SER 4 HB2 SER 4 -21.395 10.908 7.640
19 HB3 SER 4 HB3 SER 4 -22.142 12.451 7.223
20 HG SER 4 HG SER 4 -23.240 9.902 7.304
21 H SER 5 H SER 5 -22.656 9.263 4.808
22 HA SER 5 HA SER 5 -20.725 7.306 5.481
23 HB2 SER 5 HB2 SER 5 -23.154 6.844 5.353
24 HB3 SER 5 HB3 SER 5 -23.093 7.080 3.607
25 HG SER 5 HG SER 5 -21.578 5.129 5.024
26 H LEU 6 H LEU 6 -21.674 8.820 2.400
27 HA LEU 6 HA LEU 6 -19.915 7.278 0.806
28 HB2 LEU 6 HB2 LEU 6 -21.890 8.530 -0.050
29 HB3 LEU 6 HB3 LEU 6 -21.015 10.025 0.219
30 HG LEU 6 HG LEU 6 -19.337 9.368 -1.435
31 HD11 LEU 6 HD11 LEU 6 -19.428 6.949 -1.122
32 HD12 LEU 6 HD12 LEU 6 -19.673 7.375 -2.817
33 HD13 LEU 6 HD13 LEU 6 -21.049 6.912 -1.816
34 HD21 LEU 6 HD21 LEU 6 -21.313 10.617 -2.156
35 HD22 LEU 6 HD22 LEU 6 -22.161 9.101 -2.461
36 HD23 LEU 6 HD23 LEU 6 -20.742 9.526 -3.419
37 H GLU 7 H GLU 7 -19.623 10.460 2.339
38 HA GLU 7 HA GLU 7 -17.071 11.117 1.419
39 HB2 GLU 7 HB2 GLU 7 -18.626 11.820 3.877
40 HB3 GLU 7 HB3 GLU 7 -16.940 12.302 3.751
41 HG2 GLU 7 HG2 GLU 7 -19.104 13.005 1.784
42 HG3 GLU 7 HG3 GLU 7 -18.483 14.065 3.050
43 H ALA 8 H ALA 8 -18.040 9.307 4.317
44 HA ALA 8 HA ALA 8 -15.500 8.880 5.382
45 HB1 ALA 8 HB1 ALA 8 -17.550 8.419 6.613
46 HB2 ALA 8 HB2 ALA 8 -16.503 7.001 6.586
47 HB3 ALA 8 HB3 ALA 8 -17.912 7.077 5.529
48 H VAL 9 H VAL 9 -17.396 6.716 3.269
49 HA VAL 9 HA VAL 9 -15.404 4.747 3.028
50 HB VAL 9 HB VAL 9 -17.631 5.404 1.092
51 HG11 VAL 9 HG11 VAL 9 -15.912 4.057 0.023
52 HG12 VAL 9 HG12 VAL 9 -17.360 3.091 0.310
53 HG13 VAL 9 HG13 VAL 9 -15.957 2.908 1.362
54 HG21 VAL 9 HG21 VAL 9 -17.493 3.454 3.386
55 HG22 VAL 9 HG22 VAL 9 -18.803 3.536 2.211
56 HG23 VAL 9 HG23 VAL 9 -18.498 4.901 3.286
57 H ARG 10 H ARG 10 -16.281 7.410 0.817
58 HA ARG 10 HA ARG 10 -14.410 6.787 -1.177
59 HB2 ARG 10 HB2 ARG 10 -16.249 8.294 -1.633
60 HB3 ARG 10 HB3 ARG 10 -15.651 9.443 -0.444
61 HG2 ARG 10 HG2 ARG 10 -13.605 9.729 -1.829
62 HG3 ARG 10 HG3 ARG 10 -14.344 8.697 -3.053
63 HD2 ARG 10 HD2 ARG 10 -15.500 11.281 -2.019
64 HD3 ARG 10 HD3 ARG 10 -14.619 11.098 -3.535
65 HE ARG 10 HE ARG 10 -16.562 9.316 -3.873
66 HH11 ARG 10 HH11 ARG 10 -16.717 12.606 -2.653
67 HH12 ARG 10 HH12 ARG 10 -18.331 12.869 -3.251
68 HH21 ARG 10 HH21 ARG 10 -18.666 9.680 -4.654
69 HH22 ARG 10 HH22 ARG 10 -19.432 11.218 -4.383
70 H ARG 11 H ARG 11 -14.173 9.084 1.541
71 HA ARG 11 HA ARG 11 -11.617 10.044 0.773
72 HB2 ARG 11 HB2 ARG 11 -13.289 11.214 2.260
73 HB3 ARG 11 HB3 ARG 11 -12.798 10.123 3.548
74 HG2 ARG 11 HG2 ARG 11 -10.624 11.024 3.620
75 HG3 ARG 11 HG3 ARG 11 -10.843 11.867 2.084
76 HD2 ARG 11 HD2 ARG 11 -12.234 12.465 4.691
77 HD3 ARG 11 HD3 ARG 11 -10.988 13.440 3.910
78 HE ARG 11 HE ARG 11 -13.784 13.198 3.107
79 HH11 ARG 11 HH11 ARG 11 -10.597 14.493 2.456
80 HH12 ARG 11 HH12 ARG 11 -11.169 15.682 1.326
81 HH21 ARG 11 HH21 ARG 11 -14.552 14.758 1.632
82 HH22 ARG 11 HH22 ARG 11 -13.414 15.823 0.856
83 H LYS 12 H LYS 12 -12.695 7.404 2.807
84 HA LYS 12 HA LYS 12 -10.188 6.830 3.986
85 HB2 LYS 12 HB2 LYS 12 -12.333 5.939 4.839
86 HB3 LYS 12 HB3 LYS 12 -12.479 4.942 3.400
87 HG2 LYS 12 HG2 LYS 12 -11.694 3.596 5.233
88 HG3 LYS 12 HG3 LYS 12 -10.408 3.762 4.035
89 HD2 LYS 12 HD2 LYS 12 -9.501 4.004 6.275
90 HD3 LYS 12 HD3 LYS 12 -9.385 5.535 5.404
91 HE2 LYS 12 HE2 LYS 12 -11.342 6.376 6.557
92 HE3 LYS 12 HE3 LYS 12 -11.564 4.827 7.368
93 HZ1 LYS 12 HZ1 LYS 12 -9.446 5.150 8.489
94 HZ2 LYS 12 HZ2 LYS 12 -10.502 6.435 8.817
95 HZ3 LYS 12 HZ3 LYS 12 -9.233 6.641 7.708
96 H ILE 13 H ILE 13 -11.821 5.433 1.120
97 HA ILE 13 HA ILE 13 -9.604 3.728 0.552
98 HB ILE 13 HB ILE 13 -10.743 3.224 -1.585
99 HG12 ILE 13 HG12 ILE 13 -13.244 4.144 -1.525
100 HG13 ILE 13 HG13 ILE 13 -12.464 5.509 -0.734
101 HG21 ILE 13 HG21 ILE 13 -12.684 2.125 -0.584
102 HG22 ILE 13 HG22 ILE 13 -12.495 3.118 0.861
103 HG23 ILE 13 HG23 ILE 13 -11.244 1.959 0.420
104 HD11 ILE 13 HD11 ILE 13 -10.984 5.764 -2.667
105 HD12 ILE 13 HD12 ILE 13 -12.686 5.894 -3.111
106 HD13 ILE 13 HD13 ILE 13 -11.796 4.412 -3.457
107 H ARG 14 H ARG 14 -10.479 6.966 -0.408
108 HA ARG 14 HA ARG 14 -8.615 7.124 -2.569
109 HB2 ARG 14 HB2 ARG 14 -10.610 8.648 -2.223
110 HB3 ARG 14 HB3 ARG 14 -9.692 9.437 -0.949
111 HG2 ARG 14 HG2 ARG 14 -7.969 10.059 -2.557
112 HG3 ARG 14 HG3 ARG 14 -8.866 9.246 -3.840
113 HD2 ARG 14 HD2 ARG 14 -9.361 11.554 -4.025
114 HD3 ARG 14 HD3 ARG 14 -10.786 10.788 -3.329
115 HE ARG 14 HE ARG 14 -9.421 11.606 -1.139
116 HH11 ARG 14 HH11 ARG 14 -10.483 13.232 -4.061
117 HH12 ARG 14 HH12 ARG 14 -10.547 14.804 -3.315
118 HH21 ARG 14 HH21 ARG 14 -9.512 13.684 -0.159
119 HH22 ARG 14 HH22 ARG 14 -10.021 15.050 -1.103
120 H SER 15 H SER 15 -8.540 7.969 0.863
121 HA SER 15 HA SER 15 -5.902 8.994 0.884
122 HB2 SER 15 HB2 SER 15 -7.627 9.292 2.710
123 HB3 SER 15 HB3 SER 15 -7.323 7.620 3.181
124 HG SER 15 HG SER 15 -5.830 8.524 4.382
125 H LEU 16 H LEU 16 -7.272 5.773 1.227
126 HA LEU 16 HA LEU 16 -4.947 4.369 1.888
127 HB2 LEU 16 HB2 LEU 16 -7.173 3.361 1.933
128 HB3 LEU 16 HB3 LEU 16 -7.289 3.501 0.190
129 HG LEU 16 HG LEU 16 -5.382 1.912 -0.024
130 HD11 LEU 16 HD11 LEU 16 -4.694 0.612 1.916
131 HD12 LEU 16 HD12 LEU 16 -5.733 1.587 2.955
132 HD13 LEU 16 HD13 LEU 16 -4.346 2.325 2.154
133 HD21 LEU 16 HD21 LEU 16 -7.757 0.914 1.545
134 HD22 LEU 16 HD22 LEU 16 -6.665 -0.084 0.585
135 HD23 LEU 16 HD23 LEU 16 -7.677 1.126 -0.204
136 H GLN 17 H GLN 17 -6.300 5.214 -1.286
137 HA GLN 17 HA GLN 17 -4.277 4.038 -2.844
138 HB2 GLN 17 HB2 GLN 17 -6.041 6.416 -3.459
139 HB3 GLN 17 HB3 GLN 17 -5.043 5.579 -4.643
140 HG2 GLN 17 HG2 GLN 17 -6.309 3.541 -4.306
141 HG3 GLN 17 HG3 GLN 17 -7.274 4.323 -3.056
142 HE21 GLN 17 HE21 GLN 17 -9.188 3.993 -4.132
143 HE22 GLN 17 HE22 GLN 17 -9.625 4.863 -5.566
144 H GLU 18 H GLU 18 -4.551 7.249 -1.399
145 HA GLU 18 HA GLU 18 -2.200 8.354 -2.472
146 HB2 GLU 18 HB2 GLU 18 -3.815 9.761 -1.355
147 HB3 GLU 18 HB3 GLU 18 -3.608 8.879 0.152
148 HG2 GLU 18 HG2 GLU 18 -1.422 9.741 0.456
149 HG3 GLU 18 HG3 GLU 18 -1.390 10.409 -1.177
150 H GLN 19 H GLN 19 -2.795 6.615 0.565
151 HA GLN 19 HA GLN 19 -0.190 6.494 1.525
152 HB2 GLN 19 HB2 GLN 19 -2.182 5.785 2.797
153 HB3 GLN 19 HB3 GLN 19 -2.351 4.384 1.749
154 HG2 GLN 19 HG2 GLN 19 -0.125 3.609 2.522
155 HG3 GLN 19 HG3 GLN 19 -0.093 4.965 3.649
156 HE21 GLN 19 HE21 GLN 19 -0.028 3.637 5.449
157 HE22 GLN 19 HE22 GLN 19 -1.391 2.705 5.971
158 H ASN 20 H ASN 20 -1.850 4.429 -0.802
159 HA ASN 20 HA ASN 20 0.031 2.403 -1.110
160 HB2 ASN 20 HB2 ASN 20 -2.018 3.592 -2.939
161 HB3 ASN 20 HB3 ASN 20 -0.878 2.415 -3.573
162 HD21 ASN 20 HD21 ASN 20 -2.152 2.350 -0.304
163 HD22 ASN 20 HD22 ASN 20 -3.074 0.904 -0.510
164 H TYR 21 H TYR 21 -0.314 5.318 -3.145
165 HA TYR 21 HA TYR 21 2.088 4.790 -4.575
166 HB2 TYR 21 HB2 TYR 21 0.446 7.320 -4.345
167 HB3 TYR 21 HB3 TYR 21 1.800 7.113 -5.454
168 HD1 TYR 21 HD1 TYR 21 1.638 5.255 -7.206
169 HD2 TYR 21 HD2 TYR 21 -1.706 6.604 -4.945
170 HE1 TYR 21 HE1 TYR 21 0.117 4.282 -8.878
171 HE2 TYR 21 HE2 TYR 21 -3.234 5.636 -6.609
172 HH TYR 21 HH TYR 21 -3.265 4.942 -8.903
173 H HIS 22 H HIS 22 1.320 6.737 -1.745
174 HA HIS 22 HA HIS 22 3.779 8.115 -1.597
175 HB2 HIS 22 HB2 HIS 22 1.783 8.795 -0.306
176 HB3 HIS 22 HB3 HIS 22 1.942 7.345 0.684
177 HD1 HIS 22 HD1 HIS 22 3.482 10.694 0.074
178 HD2 HIS 22 HD2 HIS 22 3.972 7.449 2.623
179 HE1 HIS 22 HE1 HIS 22 5.088 11.464 1.849
180 HE2 HIS 22 HE2 HIS 22 5.570 9.395 3.207
181 H LEU 23 H LEU 23 2.663 5.142 0.009
182 HA LEU 23 HA LEU 23 5.038 4.634 1.420
183 HB2 LEU 23 HB2 LEU 23 2.793 3.590 1.820
184 HB3 LEU 23 HB3 LEU 23 3.037 2.617 0.385
185 HG LEU 23 HG LEU 23 5.007 2.479 2.649
186 HD11 LEU 23 HD11 LEU 23 2.431 0.925 2.432
187 HD12 LEU 23 HD12 LEU 23 2.793 2.156 3.641
188 HD13 LEU 23 HD13 LEU 23 3.713 0.652 3.613
189 HD21 LEU 23 HD21 LEU 23 5.279 0.183 1.808
190 HD22 LEU 23 HD22 LEU 23 5.617 1.385 0.565
191 HD23 LEU 23 HD23 LEU 23 4.085 0.512 0.553
192 H GLU 24 H GLU 24 3.949 3.697 -1.795
193 HA GLU 24 HA GLU 24 5.952 1.927 -2.520
194 HB2 GLU 24 HB2 GLU 24 3.860 2.547 -3.803
195 HB3 GLU 24 HB3 GLU 24 4.710 3.987 -4.349
196 HG2 GLU 24 HG2 GLU 24 6.460 2.478 -5.305
197 HG3 GLU 24 HG3 GLU 24 5.405 1.120 -4.916
198 H ASN 25 H ASN 25 5.862 5.457 -3.041
199 HA ASN 25 HA ASN 25 8.541 5.570 -4.027
200 HB2 ASN 25 HB2 ASN 25 6.606 7.703 -3.123
201 HB3 ASN 25 HB3 ASN 25 8.243 8.082 -3.651
202 HD21 ASN 25 HD21 ASN 25 5.088 7.008 -4.633
203 HD22 ASN 25 HD22 ASN 25 5.362 7.122 -6.340
204 H GLU 26 H GLU 26 7.064 5.905 -0.883
205 HA GLU 26 HA GLU 26 9.201 7.108 0.484
206 HB2 GLU 26 HB2 GLU 26 6.805 6.721 1.293
207 HB3 GLU 26 HB3 GLU 26 7.312 5.086 1.686
208 HG2 GLU 26 HG2 GLU 26 7.454 6.318 3.682
209 HG3 GLU 26 HG3 GLU 26 9.111 6.115 3.116
210 H VAL 27 H VAL 27 8.312 3.674 0.149
211 HA VAL 27 HA VAL 27 10.649 2.750 1.494
212 HB VAL 27 HB VAL 27 8.528 1.444 1.379
213 HG11 VAL 27 HG11 VAL 27 8.043 0.100 -0.596
214 HG12 VAL 27 HG12 VAL 27 9.371 0.876 -1.458
215 HG13 VAL 27 HG13 VAL 27 7.969 1.824 -0.964
216 HG21 VAL 27 HG21 VAL 27 10.603 0.376 2.049
217 HG22 VAL 27 HG22 VAL 27 10.993 0.038 0.361
218 HG23 VAL 27 HG23 VAL 27 9.607 -0.744 1.120
219 H ALA 28 H ALA 28 9.873 3.489 -1.835
220 HA ALA 28 HA ALA 28 12.021 2.188 -3.095
221 HB1 ALA 28 HB1 ALA 28 10.185 3.187 -4.349
222 HB2 ALA 28 HB2 ALA 28 11.735 3.825 -4.897
223 HB3 ALA 28 HB3 ALA 28 10.704 4.796 -3.847
224 H ARG 29 H ARG 29 11.770 5.515 -1.861
225 HA ARG 29 HA ARG 29 14.489 6.185 -2.265
226 HB2 ARG 29 HB2 ARG 29 12.861 7.930 -1.997
227 HB3 ARG 29 HB3 ARG 29 12.365 7.304 -0.432
228 HG2 ARG 29 HG2 ARG 29 14.455 7.960 0.555
229 HG3 ARG 29 HG3 ARG 29 15.090 8.442 -1.021
230 HD2 ARG 29 HD2 ARG 29 14.294 10.343 0.375
231 HD3 ARG 29 HD3 ARG 29 13.499 10.216 -1.194
232 HE ARG 29 HE ARG 29 12.196 9.068 1.180
233 HH11 ARG 29 HH11 ARG 29 12.274 11.445 -1.400
234 HH12 ARG 29 HH12 ARG 29 10.633 11.957 -1.153
235 HH21 ARG 29 HH21 ARG 29 10.026 9.740 1.524
236 HH22 ARG 29 HH22 ARG 29 9.358 11.008 0.529
237 H LEU 30 H LEU 30 12.735 4.680 0.349
238 HA LEU 30 HA LEU 30 14.662 4.756 2.372
239 HB2 LEU 30 HB2 LEU 30 12.181 3.968 2.355
240 HB3 LEU 30 HB3 LEU 30 12.843 2.408 1.920
241 HG LEU 30 HG LEU 30 13.508 3.920 4.451
242 HD11 LEU 30 HD11 LEU 30 11.697 1.557 3.984
243 HD12 LEU 30 HD12 LEU 30 11.189 3.193 4.406
244 HD13 LEU 30 HD13 LEU 30 12.124 2.235 5.555
245 HD21 LEU 30 HD21 LEU 30 14.152 1.088 3.625
246 HD22 LEU 30 HD22 LEU 30 14.525 1.830 5.182
247 HD23 LEU 30 HD23 LEU 30 15.307 2.419 3.714
248 H LYS 31 H LYS 31 13.958 2.079 0.099
249 HA LYS 31 HA LYS 31 16.257 0.612 0.924
250 HB2 LYS 31 HB2 LYS 31 15.702 -0.927 -0.910
251 HB3 LYS 31 HB3 LYS 31 14.313 -0.565 0.099
252 HG2 LYS 31 HG2 LYS 31 13.518 1.027 -1.602
253 HG3 LYS 31 HG3 LYS 31 14.894 0.592 -2.619
254 HD2 LYS 31 HD2 LYS 31 14.126 -1.715 -2.703
255 HD3 LYS 31 HD3 LYS 31 12.781 -1.325 -1.634
256 HE2 LYS 31 HE2 LYS 31 11.863 0.179 -3.322
257 HE3 LYS 31 HE3 LYS 31 13.230 -0.166 -4.382
258 HZ1 LYS 31 HZ1 LYS 31 11.233 -1.464 -4.948
259 HZ2 LYS 31 HZ2 LYS 31 11.281 -2.199 -3.422
260 HZ3 LYS 31 HZ3 LYS 31 12.544 -2.453 -4.527
261 H LYS 32 H LYS 32 15.750 3.100 -1.394
262 HA LYS 32 HA LYS 32 18.053 2.578 -2.992
263 HB2 LYS 32 HB2 LYS 32 15.981 4.238 -3.303
264 HB3 LYS 32 HB3 LYS 32 17.096 5.368 -2.548
265 HG2 LYS 32 HG2 LYS 32 17.217 5.531 -4.957
266 HG3 LYS 32 HG3 LYS 32 18.738 4.915 -4.307
267 HD2 LYS 32 HD2 LYS 32 18.170 2.675 -4.936
268 HD3 LYS 32 HD3 LYS 32 16.538 3.162 -5.395
269 HE2 LYS 32 HE2 LYS 32 17.456 4.530 -7.199
270 HE3 LYS 32 HE3 LYS 32 19.090 4.059 -6.730
271 HZ1 LYS 32 HZ1 LYS 32 16.991 2.135 -7.567
272 HZ2 LYS 32 HZ2 LYS 32 18.633 1.810 -7.307
273 HZ3 LYS 32 HZ3 LYS 32 18.158 2.773 -8.621
274 H LEU 33 H LEU 33 17.385 4.478 -0.109
275 HA LEU 33 HA LEU 33 19.918 5.706 0.127
276 HB2 LEU 33 HB2 LEU 33 17.949 6.600 1.212
277 HB3 LEU 33 HB3 LEU 33 17.758 5.137 2.155
278 HG LEU 33 HG LEU 33 19.882 5.661 3.331
279 HD11 LEU 33 HD11 LEU 33 19.702 8.253 1.800
280 HD12 LEU 33 HD12 LEU 33 20.945 7.016 1.616
281 HD13 LEU 33 HD13 LEU 33 20.813 7.915 3.127
282 HD21 LEU 33 HD21 LEU 33 18.967 7.494 4.678
283 HD22 LEU 33 HD22 LEU 33 17.749 6.273 4.313
284 HD23 LEU 33 HD23 LEU 33 17.757 7.798 3.430
285 H VAL 34 H VAL 34 18.516 2.874 1.791
286 HA VAL 34 HA VAL 34 20.999 2.391 3.190
287 HB VAL 34 HB VAL 34 18.828 2.002 4.294
288 HG11 VAL 34 HG11 VAL 34 18.544 -0.279 2.342
289 HG12 VAL 34 HG12 VAL 34 17.546 1.175 2.406
290 HG13 VAL 34 HG13 VAL 34 17.502 0.013 3.733
291 HG21 VAL 34 HG21 VAL 34 20.523 -0.474 4.004
292 HG22 VAL 34 HG22 VAL 34 19.379 -0.161 5.309
293 HG23 VAL 34 HG23 VAL 34 20.805 0.860 5.120
294 H GLY 35 H GLY 35 19.449 1.231 0.310
295 HA2 GLY 35 HA2 GLY 35 20.780 -1.291 0.179
296 HA3 GLY 35 HA3 GLY 35 19.916 -0.501 -1.131
297 H GLU 36 H GLU 36 21.183 1.622 -1.842
298 HA GLU 36 HA GLU 36 24.046 1.098 -1.969
299 HB2 GLU 36 HB2 GLU 36 22.957 -0.152 -3.860
300 HB3 GLU 36 HB3 GLU 36 22.383 1.390 -4.480
301 HG2 GLU 36 HG2 GLU 36 24.385 0.626 -5.641
302 HG3 GLU 36 HG3 GLU 36 24.666 2.144 -4.787
303 H ARG 37 H ARG 37 24.969 2.992 -1.492
304 HA ARG 37 HA ARG 37 23.432 5.433 -2.012
305 HB2 ARG 37 HB2 ARG 37 24.337 4.727 0.334
306 HB3 ARG 37 HB3 ARG 37 25.873 5.332 -0.274
307 HG2 ARG 37 HG2 ARG 37 24.708 7.042 0.993
308 HG3 ARG 37 HG3 ARG 37 24.838 7.509 -0.708
309 HD2 ARG 37 HD2 ARG 37 22.532 6.512 -1.013
310 HD3 ARG 37 HD3 ARG 37 22.434 6.427 0.743
311 HE ARG 37 HE ARG 37 22.439 8.807 0.828
312 HH11 ARG 37 HH11 ARG 37 22.385 7.501 -2.407
313 HH12 ARG 37 HH12 ARG 37 21.681 8.916 -3.122
314 HH21 ARG 37 HH21 ARG 37 21.458 10.666 -0.079
315 HH22 ARG 37 HH22 ARG 37 21.138 10.723 -1.789
316 HA2 GLY 0 HA2 GLY 0 -28.400 -3.381 -5.221
317 HA3 GLY 0 HA3 GLY 0 -28.899 -2.169 -4.049
318 H ALA 1 H ALA 1 -26.553 -3.463 -3.652
319 HA ALA 1 HA ALA 1 -25.348 -4.467 -2.012
320 HB1 ALA 1 HB1 ALA 1 -26.367 -4.845 0.168
321 HB2 ALA 1 HB2 ALA 1 -27.971 -4.622 -0.530
322 HB3 ALA 1 HB3 ALA 1 -26.837 -3.271 -0.477
323 H GLY 2 H GLY 2 -26.517 -5.992 -4.168
324 HA2 GLY 2 HA2 GLY 2 -27.248 -8.554 -3.037
325 HA3 GLY 2 HA3 GLY 2 -27.040 -8.184 -4.743
326 H SER 3 H SER 3 -26.019 -10.416 -4.473
327 HA SER 3 HA SER 3 -23.522 -10.691 -3.184
328 HB2 SER 3 HB2 SER 3 -23.320 -12.686 -4.807
329 HB3 SER 3 HB3 SER 3 -24.666 -12.690 -3.669
330 HG SER 3 HG SER 3 -25.499 -13.190 -5.661
331 H SER 4 H SER 4 -24.454 -9.284 -6.168
332 HA SER 4 HA SER 4 -22.029 -9.398 -7.571
333 HB2 SER 4 HB2 SER 4 -24.146 -7.236 -7.724
334 HB3 SER 4 HB3 SER 4 -22.991 -7.686 -8.980
335 HG SER 4 HG SER 4 -24.035 -9.647 -9.219
336 H SER 5 H SER 5 -23.274 -7.324 -5.059
337 HA SER 5 HA SER 5 -21.208 -5.349 -5.423
338 HB2 SER 5 HB2 SER 5 -23.247 -5.563 -3.195
339 HB3 SER 5 HB3 SER 5 -22.334 -4.132 -3.670
340 HG SER 5 HG SER 5 -23.482 -4.699 -5.848
341 H LEU 6 H LEU 6 -22.165 -7.761 -3.023
342 HA LEU 6 HA LEU 6 -20.469 -7.091 -0.975
343 HB2 LEU 6 HB2 LEU 6 -21.464 -9.821 -1.762
344 HB3 LEU 6 HB3 LEU 6 -20.732 -9.437 -0.214
345 HG LEU 6 HG LEU 6 -23.316 -8.279 -1.273
346 HD11 LEU 6 HD11 LEU 6 -23.552 -10.610 -0.659
347 HD12 LEU 6 HD12 LEU 6 -24.351 -9.581 0.528
348 HD13 LEU 6 HD13 LEU 6 -22.785 -10.301 0.897
349 HD21 LEU 6 HD21 LEU 6 -22.126 -6.686 0.133
350 HD22 LEU 6 HD22 LEU 6 -21.937 -7.913 1.386
351 HD23 LEU 6 HD23 LEU 6 -23.545 -7.318 0.972
352 H GLU 7 H GLU 7 -19.837 -9.955 -3.020
353 HA GLU 7 HA GLU 7 -17.301 -10.312 -1.890
354 HB2 GLU 7 HB2 GLU 7 -18.582 -12.163 -2.861
355 HB3 GLU 7 HB3 GLU 7 -18.413 -11.446 -4.460
356 HG2 GLU 7 HG2 GLU 7 -16.048 -11.813 -4.449
357 HG3 GLU 7 HG3 GLU 7 -16.087 -12.336 -2.765
358 H ALA 8 H ALA 8 -18.288 -8.976 -5.028
359 HA ALA 8 HA ALA 8 -15.882 -8.681 -6.268
360 HB1 ALA 8 HB1 ALA 8 -16.874 -6.802 -7.481
361 HB2 ALA 8 HB2 ALA 8 -18.180 -6.730 -6.297
362 HB3 ALA 8 HB3 ALA 8 -17.998 -8.150 -7.330
363 H VAL 9 H VAL 9 -17.388 -6.254 -4.114
364 HA VAL 9 HA VAL 9 -15.125 -4.525 -4.275
365 HB VAL 9 HB VAL 9 -17.438 -4.465 -2.323
366 HG11 VAL 9 HG11 VAL 9 -15.421 -2.347 -3.066
367 HG12 VAL 9 HG12 VAL 9 -15.546 -3.178 -1.515
368 HG13 VAL 9 HG13 VAL 9 -16.833 -2.093 -2.042
369 HG21 VAL 9 HG21 VAL 9 -18.195 -4.318 -4.641
370 HG22 VAL 9 HG22 VAL 9 -17.066 -2.995 -4.932
371 HG23 VAL 9 HG23 VAL 9 -18.407 -2.781 -3.806
372 H ARG 10 H ARG 10 -16.418 -6.772 -1.864
373 HA ARG 10 HA ARG 10 -14.746 -6.078 0.241
374 HB2 ARG 10 HB2 ARG 10 -16.810 -7.453 0.438
375 HB3 ARG 10 HB3 ARG 10 -15.959 -8.793 -0.316
376 HG2 ARG 10 HG2 ARG 10 -14.848 -7.548 2.158
377 HG3 ARG 10 HG3 ARG 10 -16.196 -8.677 2.272
378 HD2 ARG 10 HD2 ARG 10 -14.923 -10.411 1.238
379 HD3 ARG 10 HD3 ARG 10 -13.626 -9.290 0.835
380 HE ARG 10 HE ARG 10 -13.592 -9.084 3.467
381 HH11 ARG 10 HH11 ARG 10 -14.071 -11.961 1.541
382 HH12 ARG 10 HH12 ARG 10 -13.146 -12.994 2.596
383 HH21 ARG 10 HH21 ARG 10 -12.401 -10.453 4.904
384 HH22 ARG 10 HH22 ARG 10 -12.214 -12.140 4.521
385 H ARG 11 H ARG 11 -14.330 -8.602 -2.243
386 HA ARG 11 HA ARG 11 -12.008 -9.750 -1.273
387 HB2 ARG 11 HB2 ARG 11 -13.110 -10.825 -3.076
388 HB3 ARG 11 HB3 ARG 11 -13.045 -9.384 -4.077
389 HG2 ARG 11 HG2 ARG 11 -11.477 -11.027 -4.882
390 HG3 ARG 11 HG3 ARG 11 -10.610 -9.628 -4.253
391 HD2 ARG 11 HD2 ARG 11 -10.389 -10.937 -2.081
392 HD3 ARG 11 HD3 ARG 11 -10.928 -12.345 -2.999
393 HE ARG 11 HE ARG 11 -8.772 -11.024 -4.301
394 HH11 ARG 11 HH11 ARG 11 -9.483 -13.191 -1.640
395 HH12 ARG 11 HH12 ARG 11 -7.903 -13.917 -1.654
396 HH21 ARG 11 HH21 ARG 11 -6.692 -11.954 -4.302
397 HH22 ARG 11 HH22 ARG 11 -6.305 -13.204 -3.152
398 H LYS 12 H LYS 12 -12.384 -6.953 -3.421
399 HA LYS 12 HA LYS 12 -9.648 -6.606 -3.931
400 HB2 LYS 12 HB2 LYS 12 -11.889 -4.580 -4.025
401 HB3 LYS 12 HB3 LYS 12 -10.280 -4.340 -4.693
402 HG2 LYS 12 HG2 LYS 12 -10.679 -6.294 -6.180
403 HG3 LYS 12 HG3 LYS 12 -12.341 -6.344 -5.588
404 HD2 LYS 12 HD2 LYS 12 -12.283 -5.141 -7.673
405 HD3 LYS 12 HD3 LYS 12 -12.640 -4.009 -6.366
406 HE2 LYS 12 HE2 LYS 12 -10.264 -3.353 -6.321
407 HE3 LYS 12 HE3 LYS 12 -9.954 -4.442 -7.673
408 HZ1 LYS 12 HZ1 LYS 12 -11.758 -2.083 -7.712
409 HZ2 LYS 12 HZ2 LYS 12 -11.501 -3.140 -9.012
410 HZ3 LYS 12 HZ3 LYS 12 -10.228 -2.182 -8.433
411 H ILE 13 H ILE 13 -11.805 -4.855 -1.676
412 HA ILE 13 HA ILE 13 -9.740 -3.218 -0.703
413 HB ILE 13 HB ILE 13 -11.298 -2.630 1.135
414 HG12 ILE 13 HG12 ILE 13 -13.746 -3.511 0.567
415 HG13 ILE 13 HG13 ILE 13 -12.852 -4.907 -0.021
416 HG21 ILE 13 HG21 ILE 13 -12.454 -2.576 -1.646
417 HG22 ILE 13 HG22 ILE 13 -11.323 -1.414 -0.956
418 HG23 ILE 13 HG23 ILE 13 -12.957 -1.544 -0.308
419 HD11 ILE 13 HD11 ILE 13 -11.829 -5.170 2.182
420 HD12 ILE 13 HD12 ILE 13 -13.590 -5.238 2.260
421 HD13 ILE 13 HD13 ILE 13 -12.741 -3.778 2.766
422 H ARG 14 H ARG 14 -10.837 -6.394 0.166
423 HA ARG 14 HA ARG 14 -9.608 -6.615 2.684
424 HB2 ARG 14 HB2 ARG 14 -11.262 -8.218 1.510
425 HB3 ARG 14 HB3 ARG 14 -9.860 -8.858 0.676
426 HG2 ARG 14 HG2 ARG 14 -10.180 -8.816 3.670
427 HG3 ARG 14 HG3 ARG 14 -10.577 -10.190 2.641
428 HD2 ARG 14 HD2 ARG 14 -7.870 -8.963 3.126
429 HD3 ARG 14 HD3 ARG 14 -8.416 -10.581 3.563
430 HE ARG 14 HE ARG 14 -8.022 -9.691 0.771
431 HH11 ARG 14 HH11 ARG 14 -7.901 -12.170 3.245
432 HH12 ARG 14 HH12 ARG 14 -7.106 -13.324 2.221
433 HH21 ARG 14 HH21 ARG 14 -6.994 -11.218 -0.579
434 HH22 ARG 14 HH22 ARG 14 -6.609 -12.796 0.047
435 H SER 15 H SER 15 -8.503 -7.515 -0.575
436 HA SER 15 HA SER 15 -5.973 -8.412 0.249
437 HB2 SER 15 HB2 SER 15 -6.856 -7.452 -2.479
438 HB3 SER 15 HB3 SER 15 -5.450 -8.462 -2.132
439 HG SER 15 HG SER 15 -7.835 -9.306 -2.680
440 H LEU 16 H LEU 16 -7.153 -5.290 -0.931
441 HA LEU 16 HA LEU 16 -4.732 -4.004 -1.325
442 HB2 LEU 16 HB2 LEU 16 -7.330 -2.872 -0.279
443 HB3 LEU 16 HB3 LEU 16 -5.979 -1.904 -0.837
444 HG LEU 16 HG LEU 16 -7.591 -3.810 -2.539
445 HD11 LEU 16 HD11 LEU 16 -7.513 -0.797 -2.485
446 HD12 LEU 16 HD12 LEU 16 -8.841 -1.809 -1.919
447 HD13 LEU 16 HD13 LEU 16 -8.416 -1.790 -3.630
448 HD21 LEU 16 HD21 LEU 16 -5.266 -3.676 -3.258
449 HD22 LEU 16 HD22 LEU 16 -5.366 -1.916 -3.280
450 HD23 LEU 16 HD23 LEU 16 -6.331 -2.867 -4.409
451 H GLN 17 H GLN 17 -6.675 -4.266 1.631
452 HA GLN 17 HA GLN 17 -4.995 -2.781 3.300
453 HB2 GLN 17 HB2 GLN 17 -6.864 -5.063 3.967
454 HB3 GLN 17 HB3 GLN 17 -6.107 -4.015 5.158
455 HG2 GLN 17 HG2 GLN 17 -7.286 -2.102 4.271
456 HG3 GLN 17 HG3 GLN 17 -7.986 -3.098 2.995
457 HE21 GLN 17 HE21 GLN 17 -9.616 -4.540 3.495
458 HE22 GLN 17 HE22 GLN 17 -10.483 -4.493 4.996
459 H GLU 18 H GLU 18 -5.198 -6.276 2.735
460 HA GLU 18 HA GLU 18 -3.240 -7.087 4.525
461 HB2 GLU 18 HB2 GLU 18 -4.883 -8.571 3.418
462 HB3 GLU 18 HB3 GLU 18 -4.033 -8.361 1.896
463 HG2 GLU 18 HG2 GLU 18 -2.446 -9.361 4.177
464 HG3 GLU 18 HG3 GLU 18 -3.662 -10.447 3.510
465 H GLN 19 H GLN 19 -2.973 -6.343 1.068
466 HA GLN 19 HA GLN 19 -0.291 -6.905 0.685
467 HB2 GLN 19 HB2 GLN 19 -1.781 -6.455 -1.169
468 HB3 GLN 19 HB3 GLN 19 -2.049 -4.813 -0.609
469 HG2 GLN 19 HG2 GLN 19 -0.563 -4.748 -2.470
470 HG3 GLN 19 HG3 GLN 19 0.346 -4.330 -1.019
471 HE21 GLN 19 HE21 GLN 19 1.894 -5.760 -0.243
472 HE22 GLN 19 HE22 GLN 19 2.498 -7.071 -1.189
473 H ASN 20 H ASN 20 -1.753 -3.739 1.426
474 HA ASN 20 HA ASN 20 0.775 -2.462 1.511
475 HB2 ASN 20 HB2 ASN 20 -2.002 -1.557 2.255
476 HB3 ASN 20 HB3 ASN 20 -0.586 -0.520 2.427
477 HD21 ASN 20 HD21 ASN 20 -2.695 -2.142 0.194
478 HD22 ASN 20 HD22 ASN 20 -2.156 -1.317 -1.231
479 H TYR 21 H TYR 21 -1.230 -4.039 3.853
480 HA TYR 21 HA TYR 21 -0.185 -2.940 6.196
481 HB2 TYR 21 HB2 TYR 21 -2.152 -4.418 6.153
482 HB3 TYR 21 HB3 TYR 21 -1.131 -5.766 5.667
483 HD1 TYR 21 HD1 TYR 21 -1.672 -3.332 8.425
484 HD2 TYR 21 HD2 TYR 21 -0.131 -7.126 7.279
485 HE1 TYR 21 HE1 TYR 21 -1.293 -3.885 10.788
486 HE2 TYR 21 HE2 TYR 21 0.248 -7.690 9.640
487 HH TYR 21 HH TYR 21 -1.066 -5.846 12.200
488 H HIS 22 H HIS 22 0.814 -5.800 4.339
489 HA HIS 22 HA HIS 22 3.058 -6.419 5.904
490 HB2 HIS 22 HB2 HIS 22 2.268 -7.075 3.078
491 HB3 HIS 22 HB3 HIS 22 3.832 -7.568 3.719
492 HD1 HIS 22 HD1 HIS 22 0.386 -8.678 3.466
493 HD2 HIS 22 HD2 HIS 22 3.533 -9.241 6.136
494 HE1 HIS 22 HE1 HIS 22 -0.226 -10.700 4.832
495 HE2 HIS 22 HE2 HIS 22 1.681 -11.021 6.450
496 H LEU 23 H LEU 23 2.629 -4.373 3.068
497 HA LEU 23 HA LEU 23 5.308 -3.774 2.584
498 HB2 LEU 23 HB2 LEU 23 2.862 -2.059 2.145
499 HB3 LEU 23 HB3 LEU 23 4.443 -1.746 1.456
500 HG LEU 23 HG LEU 23 2.713 -4.147 0.867
501 HD11 LEU 23 HD11 LEU 23 2.480 -3.154 -1.348
502 HD12 LEU 23 HD12 LEU 23 3.406 -1.749 -0.819
503 HD13 LEU 23 HD13 LEU 23 1.834 -2.094 -0.096
504 HD21 LEU 23 HD21 LEU 23 4.367 -4.656 -0.854
505 HD22 LEU 23 HD22 LEU 23 5.084 -4.689 0.757
506 HD23 LEU 23 HD23 LEU 23 5.360 -3.307 -0.303
507 H GLU 24 H GLU 24 2.895 -2.066 4.571
508 HA GLU 24 HA GLU 24 4.542 0.012 5.430
509 HB2 GLU 24 HB2 GLU 24 2.090 -0.020 5.699
510 HB3 GLU 24 HB3 GLU 24 2.248 -1.291 6.902
511 HG2 GLU 24 HG2 GLU 24 3.546 0.248 8.319
512 HG3 GLU 24 HG3 GLU 24 3.296 1.522 7.126
513 H ASN 25 H ASN 25 3.912 -3.179 6.819
514 HA ASN 25 HA ASN 25 5.388 -2.861 9.171
515 HB2 ASN 25 HB2 ASN 25 4.609 -5.272 7.550
516 HB3 ASN 25 HB3 ASN 25 5.610 -5.432 8.988
517 HD21 ASN 25 HD21 ASN 25 3.137 -2.993 8.733
518 HD22 ASN 25 HD22 ASN 25 2.051 -3.690 9.880
519 H GLU 26 H GLU 26 6.316 -3.987 5.952
520 HA GLU 26 HA GLU 26 8.984 -4.617 6.494
521 HB2 GLU 26 HB2 GLU 26 7.853 -5.241 4.405
522 HB3 GLU 26 HB3 GLU 26 7.736 -3.548 3.951
523 HG2 GLU 26 HG2 GLU 26 10.191 -3.422 3.892
524 HG3 GLU 26 HG3 GLU 26 10.267 -5.143 4.268
525 H VAL 27 H VAL 27 7.521 -1.625 5.267
526 HA VAL 27 HA VAL 27 9.788 -0.082 5.009
527 HB VAL 27 HB VAL 27 7.014 0.818 5.815
528 HG11 VAL 27 HG11 VAL 27 8.668 2.532 6.338
529 HG12 VAL 27 HG12 VAL 27 7.672 3.022 4.968
530 HG13 VAL 27 HG13 VAL 27 9.310 2.428 4.699
531 HG21 VAL 27 HG21 VAL 27 6.718 1.318 3.452
532 HG22 VAL 27 HG22 VAL 27 7.088 -0.390 3.691
533 HG23 VAL 27 HG23 VAL 27 8.337 0.713 3.108
534 H ALA 28 H ALA 28 7.722 -0.538 7.855
535 HA ALA 28 HA ALA 28 8.759 1.363 9.541
536 HB1 ALA 28 HB1 ALA 28 6.790 -0.006 10.043
537 HB2 ALA 28 HB2 ALA 28 7.941 0.013 11.378
538 HB3 ALA 28 HB3 ALA 28 7.840 -1.397 10.324
539 H ARG 29 H ARG 29 9.819 -2.050 9.392
540 HA ARG 29 HA ARG 29 11.942 -1.632 11.196
541 HB2 ARG 29 HB2 ARG 29 11.106 -3.847 9.390
542 HB3 ARG 29 HB3 ARG 29 12.754 -3.858 10.009
543 HG2 ARG 29 HG2 ARG 29 10.249 -3.755 11.681
544 HG3 ARG 29 HG3 ARG 29 11.275 -5.171 11.423
545 HD2 ARG 29 HD2 ARG 29 13.160 -3.971 12.435
546 HD3 ARG 29 HD3 ARG 29 12.119 -2.581 12.716
547 HE ARG 29 HE ARG 29 10.776 -4.448 14.036
548 HH11 ARG 29 HH11 ARG 29 14.205 -3.754 13.956
549 HH12 ARG 29 HH12 ARG 29 14.499 -4.318 15.573
550 HH21 ARG 29 HH21 ARG 29 11.143 -5.185 16.181
551 HH22 ARG 29 HH22 ARG 29 12.753 -5.149 16.839
552 H LEU 30 H LEU 30 11.720 -1.566 7.687
553 HA LEU 30 HA LEU 30 14.465 -1.529 7.149
554 HB2 LEU 30 HB2 LEU 30 11.994 -0.878 5.674
555 HB3 LEU 30 HB3 LEU 30 13.449 -0.097 5.086
556 HG LEU 30 HG LEU 30 14.516 -2.282 4.784
557 HD11 LEU 30 HD11 LEU 30 13.361 -3.493 6.572
558 HD12 LEU 30 HD12 LEU 30 13.269 -4.342 5.029
559 HD13 LEU 30 HD13 LEU 30 11.870 -3.449 5.629
560 HD21 LEU 30 HD21 LEU 30 13.294 -1.306 2.927
561 HD22 LEU 30 HD22 LEU 30 11.804 -2.068 3.487
562 HD23 LEU 30 HD23 LEU 30 13.146 -3.061 2.915
563 H LYS 31 H LYS 31 12.166 1.183 7.585
564 HA LYS 31 HA LYS 31 14.136 3.146 7.085
565 HB2 LYS 31 HB2 LYS 31 12.504 4.766 7.967
566 HB3 LYS 31 HB3 LYS 31 11.805 3.701 6.761
567 HG2 LYS 31 HG2 LYS 31 10.133 3.722 8.292
568 HG3 LYS 31 HG3 LYS 31 11.053 2.340 8.882
569 HD2 LYS 31 HD2 LYS 31 12.169 3.796 10.514
570 HD3 LYS 31 HD3 LYS 31 11.225 5.166 9.926
571 HE2 LYS 31 HE2 LYS 31 9.161 3.978 10.552
572 HE3 LYS 31 HE3 LYS 31 10.136 2.662 11.201
573 HZ1 LYS 31 HZ1 LYS 31 10.196 5.474 12.152
574 HZ2 LYS 31 HZ2 LYS 31 11.084 4.186 12.807
575 HZ3 LYS 31 HZ3 LYS 31 9.390 4.197 12.923
576 H LYS 32 H LYS 32 13.096 1.440 9.945
577 HA LYS 32 HA LYS 32 14.489 3.108 11.786
578 HB2 LYS 32 HB2 LYS 32 12.725 1.654 12.588
579 HB3 LYS 32 HB3 LYS 32 13.580 0.230 12.007
580 HG2 LYS 32 HG2 LYS 32 15.354 0.614 13.621
581 HG3 LYS 32 HG3 LYS 32 14.544 2.078 14.184
582 HD2 LYS 32 HD2 LYS 32 12.652 0.771 14.947
583 HD3 LYS 32 HD3 LYS 32 13.380 -0.702 14.301
584 HE2 LYS 32 HE2 LYS 32 13.689 -0.486 16.737
585 HE3 LYS 32 HE3 LYS 32 15.217 -0.524 15.859
586 HZ1 LYS 32 HZ1 LYS 32 15.415 1.839 16.096
587 HZ2 LYS 32 HZ2 LYS 32 15.142 1.170 17.626
588 HZ3 LYS 32 HZ3 LYS 32 13.882 1.956 16.809
589 H LEU 33 H LEU 33 15.322 0.258 9.909
590 HA LEU 33 HA LEU 33 17.774 -0.334 11.169
591 HB2 LEU 33 HB2 LEU 33 16.547 -1.898 9.715
592 HB3 LEU 33 HB3 LEU 33 16.901 -0.884 8.329
593 HG LEU 33 HG LEU 33 19.330 -1.319 8.699
594 HD11 LEU 33 HD11 LEU 33 19.966 -3.192 10.141
595 HD12 LEU 33 HD12 LEU 33 18.303 -3.317 10.712
596 HD13 LEU 33 HD13 LEU 33 19.251 -1.873 11.066
597 HD21 LEU 33 HD21 LEU 33 18.067 -2.570 7.049
598 HD22 LEU 33 HD22 LEU 33 17.575 -3.733 8.280
599 HD23 LEU 33 HD23 LEU 33 19.272 -3.603 7.816
600 H VAL 34 H VAL 34 16.993 1.675 8.349
601 HA VAL 34 HA VAL 34 19.753 2.299 7.852
602 HB VAL 34 HB VAL 34 18.132 2.261 6.011
603 HG11 VAL 34 HG11 VAL 34 16.950 4.719 7.295
604 HG12 VAL 34 HG12 VAL 34 16.178 3.139 7.169
605 HG13 VAL 34 HG13 VAL 34 16.519 4.073 5.711
606 HG21 VAL 34 HG21 VAL 34 19.382 4.966 6.460
607 HG22 VAL 34 HG22 VAL 34 18.827 4.335 4.910
608 HG23 VAL 34 HG23 VAL 34 20.166 3.554 5.752
609 H GLY 35 H GLY 35 17.143 3.753 9.667
610 HA2 GLY 35 HA2 GLY 35 18.435 6.287 10.042
611 HA3 GLY 35 HA3 GLY 35 17.059 5.673 10.950
612 H GLU 36 H GLU 36 17.882 3.510 12.181
613 HA GLU 36 HA GLU 36 19.834 4.486 14.085
614 HB2 GLU 36 HB2 GLU 36 17.752 3.366 14.829
615 HB3 GLU 36 HB3 GLU 36 18.259 1.901 14.005
616 HG2 GLU 36 HG2 GLU 36 20.129 1.656 15.510
617 HG3 GLU 36 HG3 GLU 36 19.730 3.187 16.293
618 H ARG 37 H ARG 37 21.633 4.497 12.691
619 HA ARG 37 HA ARG 37 22.514 1.948 11.566
620 HB2 ARG 37 HB2 ARG 37 22.394 4.178 10.276
621 HB3 ARG 37 HB3 ARG 37 23.825 4.636 11.187
622 HG2 ARG 37 HG2 ARG 37 25.009 2.685 10.255
623 HG3 ARG 37 HG3 ARG 37 23.575 2.306 9.295
624 HD2 ARG 37 HD2 ARG 37 23.732 4.602 8.316
625 HD3 ARG 37 HD3 ARG 37 25.280 4.785 9.138
626 HE ARG 37 HE ARG 37 24.728 2.784 7.035
627 HH11 ARG 37 HH11 ARG 37 26.925 4.870 8.782
628 HH12 ARG 37 HH12 ARG 37 28.229 4.672 7.648
629 HH21 ARG 37 HH21 ARG 37 26.450 2.516 5.526
630 HH22 ARG 37 HH22 ARG 37 27.965 3.325 5.808
Start of MODEL 2
1 HA2 GLY 0 HA2 GLY 0 -30.732 10.015 5.513
2 HA3 GLY 0 HA3 GLY 0 -30.989 9.321 7.109
3 H ALA 1 H ALA 1 -29.577 8.866 4.150
4 HA ALA 1 HA ALA 1 -29.635 5.930 4.364
5 HB1 ALA 1 HB1 ALA 1 -28.873 5.912 2.036
6 HB2 ALA 1 HB2 ALA 1 -28.832 7.675 2.032
7 HB3 ALA 1 HB3 ALA 1 -30.369 6.829 2.210
8 H GLY 2 H GLY 2 -27.382 5.163 3.158
9 HA2 GLY 2 HA2 GLY 2 -25.314 5.890 5.026
10 HA3 GLY 2 HA3 GLY 2 -25.175 4.730 3.712
11 H SER 3 H SER 3 -25.782 8.219 4.002
12 HA SER 3 HA SER 3 -24.288 8.748 1.590
13 HB2 SER 3 HB2 SER 3 -26.356 10.009 2.236
14 HB3 SER 3 HB3 SER 3 -25.459 10.710 3.581
15 HG SER 3 HG SER 3 -25.445 11.358 0.926
16 H SER 4 H SER 4 -23.992 9.531 5.041
17 HA SER 4 HA SER 4 -21.443 10.725 4.885
18 HB2 SER 4 HB2 SER 4 -23.025 10.917 6.827
19 HB3 SER 4 HB3 SER 4 -22.638 9.248 7.247
20 HG SER 4 HG SER 4 -20.792 11.409 7.085
21 H SER 5 H SER 5 -22.526 7.405 5.357
22 HA SER 5 HA SER 5 -20.063 6.185 5.854
23 HB2 SER 5 HB2 SER 5 -22.365 5.015 4.276
24 HB3 SER 5 HB3 SER 5 -21.123 4.124 5.155
25 HG SER 5 HG SER 5 -22.974 4.219 6.406
26 H LEU 6 H LEU 6 -21.739 6.808 2.784
27 HA LEU 6 HA LEU 6 -19.860 5.628 1.077
28 HB2 LEU 6 HB2 LEU 6 -22.118 6.265 0.377
29 HB3 LEU 6 HB3 LEU 6 -21.708 7.959 0.563
30 HG LEU 6 HG LEU 6 -20.037 7.736 -1.242
31 HD11 LEU 6 HD11 LEU 6 -21.155 4.945 -1.497
32 HD12 LEU 6 HD12 LEU 6 -19.514 5.379 -1.014
33 HD13 LEU 6 HD13 LEU 6 -20.073 5.728 -2.650
34 HD21 LEU 6 HD21 LEU 6 -22.259 8.534 -1.764
35 HD22 LEU 6 HD22 LEU 6 -22.839 6.879 -1.942
36 HD23 LEU 6 HD23 LEU 6 -21.657 7.527 -3.078
37 H GLU 7 H GLU 7 -20.176 8.969 2.199
38 HA GLU 7 HA GLU 7 -18.040 10.082 0.782
39 HB2 GLU 7 HB2 GLU 7 -19.911 11.163 2.254
40 HB3 GLU 7 HB3 GLU 7 -18.762 10.958 3.565
41 HG2 GLU 7 HG2 GLU 7 -18.158 12.458 1.032
42 HG3 GLU 7 HG3 GLU 7 -18.782 13.212 2.496
43 H ALA 8 H ALA 8 -18.155 8.664 4.029
44 HA ALA 8 HA ALA 8 -15.466 9.068 4.711
45 HB1 ALA 8 HB1 ALA 8 -17.380 6.940 5.657
46 HB2 ALA 8 HB2 ALA 8 -17.129 8.530 6.379
47 HB3 ALA 8 HB3 ALA 8 -15.838 7.330 6.418
48 H VAL 9 H VAL 9 -17.062 6.198 3.313
49 HA VAL 9 HA VAL 9 -14.739 4.600 3.225
50 HB VAL 9 HB VAL 9 -17.233 4.444 1.519
51 HG11 VAL 9 HG11 VAL 9 -16.572 2.133 1.057
52 HG12 VAL 9 HG12 VAL 9 -15.063 2.388 1.933
53 HG13 VAL 9 HG13 VAL 9 -15.378 3.278 0.442
54 HG21 VAL 9 HG21 VAL 9 -17.894 2.665 3.055
55 HG22 VAL 9 HG22 VAL 9 -17.662 4.191 3.905
56 HG23 VAL 9 HG23 VAL 9 -16.431 2.933 4.001
57 H ARG 10 H ARG 10 -16.205 6.757 0.830
58 HA ARG 10 HA ARG 10 -14.468 6.225 -1.300
59 HB2 ARG 10 HB2 ARG 10 -16.554 7.488 -1.539
60 HB3 ARG 10 HB3 ARG 10 -15.895 8.794 -0.573
61 HG2 ARG 10 HG2 ARG 10 -14.525 7.976 -3.097
62 HG3 ARG 10 HG3 ARG 10 -15.968 8.987 -3.159
63 HD2 ARG 10 HD2 ARG 10 -13.345 9.590 -1.805
64 HD3 ARG 10 HD3 ARG 10 -14.078 10.436 -3.168
65 HE ARG 10 HE ARG 10 -14.717 10.742 -0.362
66 HH11 ARG 10 HH11 ARG 10 -15.742 11.302 -3.662
67 HH12 ARG 10 HH12 ARG 10 -16.830 12.585 -3.239
68 HH21 ARG 10 HH21 ARG 10 -16.143 12.436 0.201
69 HH22 ARG 10 HH22 ARG 10 -17.088 13.208 -1.049
70 H ARG 11 H ARG 11 -14.254 8.626 1.307
71 HA ARG 11 HA ARG 11 -11.785 9.733 0.470
72 HB2 ARG 11 HB2 ARG 11 -13.336 10.856 2.043
73 HB3 ARG 11 HB3 ARG 11 -12.969 9.633 3.254
74 HG2 ARG 11 HG2 ARG 11 -10.580 10.350 3.148
75 HG3 ARG 11 HG3 ARG 11 -11.086 11.676 2.097
76 HD2 ARG 11 HD2 ARG 11 -10.928 12.470 4.367
77 HD3 ARG 11 HD3 ARG 11 -12.622 12.447 3.874
78 HE ARG 11 HE ARG 11 -11.479 10.225 5.442
79 HH11 ARG 11 HH11 ARG 11 -13.847 12.777 5.022
80 HH12 ARG 11 HH12 ARG 11 -14.726 12.368 6.464
81 HH21 ARG 11 HH21 ARG 11 -12.655 9.656 7.300
82 HH22 ARG 11 HH22 ARG 11 -14.055 10.572 7.754
83 H LYS 12 H LYS 12 -12.667 7.057 2.556
84 HA LYS 12 HA LYS 12 -10.141 6.583 3.686
85 HB2 LYS 12 HB2 LYS 12 -12.246 5.649 4.573
86 HB3 LYS 12 HB3 LYS 12 -12.363 4.600 3.165
87 HG2 LYS 12 HG2 LYS 12 -11.501 3.401 5.098
88 HG3 LYS 12 HG3 LYS 12 -10.301 3.481 3.809
89 HD2 LYS 12 HD2 LYS 12 -9.254 5.408 4.968
90 HD3 LYS 12 HD3 LYS 12 -10.396 5.188 6.296
91 HE2 LYS 12 HE2 LYS 12 -9.524 2.966 6.711
92 HE3 LYS 12 HE3 LYS 12 -8.439 3.110 5.326
93 HZ1 LYS 12 HZ1 LYS 12 -8.354 4.715 7.823
94 HZ2 LYS 12 HZ2 LYS 12 -7.379 5.004 6.462
95 HZ3 LYS 12 HZ3 LYS 12 -7.227 3.550 7.319
96 H ILE 13 H ILE 13 -11.725 5.000 0.883
97 HA ILE 13 HA ILE 13 -9.475 3.379 0.313
98 HB ILE 13 HB ILE 13 -10.508 2.973 -1.902
99 HG12 ILE 13 HG12 ILE 13 -13.011 3.903 -1.921
100 HG13 ILE 13 HG13 ILE 13 -12.262 5.228 -1.038
101 HG21 ILE 13 HG21 ILE 13 -12.363 2.755 0.460
102 HG22 ILE 13 HG22 ILE 13 -11.100 1.611 0.004
103 HG23 ILE 13 HG23 ILE 13 -12.500 1.840 -1.042
104 HD11 ILE 13 HD11 ILE 13 -12.389 5.698 -3.419
105 HD12 ILE 13 HD12 ILE 13 -11.454 4.244 -3.766
106 HD13 ILE 13 HD13 ILE 13 -10.711 5.581 -2.890
107 H ARG 14 H ARG 14 -10.394 6.604 -0.688
108 HA ARG 14 HA ARG 14 -8.390 7.042 -2.613
109 HB2 ARG 14 HB2 ARG 14 -10.194 8.632 -2.293
110 HB3 ARG 14 HB3 ARG 14 -9.678 8.936 -0.640
111 HG2 ARG 14 HG2 ARG 14 -7.455 9.699 -1.740
112 HG3 ARG 14 HG3 ARG 14 -8.434 9.827 -3.205
113 HD2 ARG 14 HD2 ARG 14 -9.972 11.327 -2.068
114 HD3 ARG 14 HD3 ARG 14 -9.047 11.172 -0.575
115 HE ARG 14 HE ARG 14 -8.398 12.784 -2.886
116 HH11 ARG 14 HH11 ARG 14 -7.150 11.250 0.015
117 HH12 ARG 14 HH12 ARG 14 -5.777 12.303 0.136
118 HH21 ARG 14 HH21 ARG 14 -6.617 14.201 -2.685
119 HH22 ARG 14 HH22 ARG 14 -5.500 14.004 -1.367
120 H SER 15 H SER 15 -8.457 7.645 0.874
121 HA SER 15 HA SER 15 -5.848 8.618 1.141
122 HB2 SER 15 HB2 SER 15 -7.629 8.849 2.852
123 HB3 SER 15 HB3 SER 15 -7.510 7.124 3.189
124 HG SER 15 HG SER 15 -5.355 8.966 3.437
125 H LEU 16 H LEU 16 -7.138 5.324 1.305
126 HA LEU 16 HA LEU 16 -4.838 3.999 2.155
127 HB2 LEU 16 HB2 LEU 16 -7.033 3.061 0.308
128 HB3 LEU 16 HB3 LEU 16 -5.796 2.008 0.969
129 HG LEU 16 HG LEU 16 -7.830 3.541 2.592
130 HD11 LEU 16 HD11 LEU 16 -8.820 1.353 3.022
131 HD12 LEU 16 HD12 LEU 16 -7.651 0.603 1.937
132 HD13 LEU 16 HD13 LEU 16 -8.843 1.737 1.301
133 HD21 LEU 16 HD21 LEU 16 -7.002 2.209 4.468
134 HD22 LEU 16 HD22 LEU 16 -5.729 3.221 3.787
135 HD23 LEU 16 HD23 LEU 16 -5.774 1.496 3.424
136 H GLN 17 H GLN 17 -5.973 4.441 -1.214
137 HA GLN 17 HA GLN 17 -3.655 3.276 -2.340
138 HB2 GLN 17 HB2 GLN 17 -5.607 5.200 -3.616
139 HB3 GLN 17 HB3 GLN 17 -4.432 4.212 -4.476
140 HG2 GLN 17 HG2 GLN 17 -5.560 2.196 -3.525
141 HG3 GLN 17 HG3 GLN 17 -6.811 3.266 -2.899
142 HE21 GLN 17 HE21 GLN 17 -8.431 2.359 -4.125
143 HE22 GLN 17 HE22 GLN 17 -8.545 2.576 -5.835
144 H GLU 18 H GLU 18 -4.503 6.607 -1.562
145 HA GLU 18 HA GLU 18 -2.287 7.830 -2.812
146 HB2 GLU 18 HB2 GLU 18 -4.257 9.089 -2.098
147 HB3 GLU 18 HB3 GLU 18 -3.897 8.724 -0.418
148 HG2 GLU 18 HG2 GLU 18 -1.881 10.035 -0.514
149 HG3 GLU 18 HG3 GLU 18 -2.110 10.317 -2.239
150 H GLN 19 H GLN 19 -2.792 6.669 0.505
151 HA GLN 19 HA GLN 19 -0.243 7.399 1.474
152 HB2 GLN 19 HB2 GLN 19 -2.148 6.842 2.945
153 HB3 GLN 19 HB3 GLN 19 -2.061 5.167 2.414
154 HG2 GLN 19 HG2 GLN 19 -1.032 5.463 4.593
155 HG3 GLN 19 HG3 GLN 19 0.153 4.955 3.393
156 HE21 GLN 19 HE21 GLN 19 1.742 6.393 2.731
157 HE22 GLN 19 HE22 GLN 19 2.104 7.843 3.612
158 H ASN 20 H ASN 20 -1.474 4.468 -0.079
159 HA ASN 20 HA ASN 20 0.861 2.910 0.268
160 HB2 ASN 20 HB2 ASN 20 -1.434 2.764 -1.676
161 HB3 ASN 20 HB3 ASN 20 -0.066 1.666 -1.805
162 HD21 ASN 20 HD21 ASN 20 -1.180 2.839 1.269
163 HD22 ASN 20 HD22 ASN 20 -1.860 1.352 1.823
164 H TYR 21 H TYR 21 -0.182 5.078 -2.320
165 HA TYR 21 HA TYR 21 1.969 4.709 -4.077
166 HB2 TYR 21 HB2 TYR 21 -0.154 5.986 -4.530
167 HB3 TYR 21 HB3 TYR 21 0.484 7.295 -3.547
168 HD1 TYR 21 HD1 TYR 21 2.339 8.676 -4.374
169 HD2 TYR 21 HD2 TYR 21 0.664 5.568 -6.743
170 HE1 TYR 21 HE1 TYR 21 3.412 9.626 -6.371
171 HE2 TYR 21 HE2 TYR 21 1.734 6.509 -8.744
172 HH TYR 21 HH TYR 21 2.554 8.788 -9.483
173 H HIS 22 H HIS 22 1.535 6.912 -1.348
174 HA HIS 22 HA HIS 22 4.039 8.214 -1.560
175 HB2 HIS 22 HB2 HIS 22 1.843 8.722 -0.121
176 HB3 HIS 22 HB3 HIS 22 2.772 7.879 1.116
177 HD1 HIS 22 HD1 HIS 22 5.327 8.966 1.452
178 HD2 HIS 22 HD2 HIS 22 2.378 11.357 -0.264
179 HE1 HIS 22 HE1 HIS 22 6.139 11.327 1.690
180 HE2 HIS 22 HE2 HIS 22 4.276 12.763 0.806
181 H LEU 23 H LEU 23 2.951 5.297 0.080
182 HA LEU 23 HA LEU 23 5.373 4.794 1.472
183 HB2 LEU 23 HB2 LEU 23 3.149 2.947 0.608
184 HB3 LEU 23 HB3 LEU 23 4.504 2.436 1.596
185 HG LEU 23 HG LEU 23 2.476 4.534 2.373
186 HD11 LEU 23 HD11 LEU 23 1.723 2.858 4.004
187 HD12 LEU 23 HD12 LEU 23 2.830 1.685 3.292
188 HD13 LEU 23 HD13 LEU 23 1.490 2.321 2.340
189 HD21 LEU 23 HD21 LEU 23 4.716 3.284 3.957
190 HD22 LEU 23 HD22 LEU 23 3.527 4.434 4.570
191 HD23 LEU 23 HD23 LEU 23 4.687 4.936 3.340
192 H GLU 24 H GLU 24 4.177 3.966 -1.733
193 HA GLU 24 HA GLU 24 6.135 2.171 -2.541
194 HB2 GLU 24 HB2 GLU 24 4.669 4.289 -4.105
195 HB3 GLU 24 HB3 GLU 24 5.768 3.148 -4.860
196 HG2 GLU 24 HG2 GLU 24 4.351 1.306 -3.975
197 HG3 GLU 24 HG3 GLU 24 3.202 2.530 -3.426
198 H ASN 25 H ASN 25 6.144 5.726 -3.020
199 HA ASN 25 HA ASN 25 8.807 5.711 -4.007
200 HB2 ASN 25 HB2 ASN 25 8.764 8.164 -3.773
201 HB3 ASN 25 HB3 ASN 25 7.334 7.549 -4.591
202 HD21 ASN 25 HD21 ASN 25 8.575 9.010 -1.678
203 HD22 ASN 25 HD22 ASN 25 7.038 9.491 -1.046
204 H GLU 26 H GLU 26 7.456 6.000 -0.799
205 HA GLU 26 HA GLU 26 9.743 6.841 0.585
206 HB2 GLU 26 HB2 GLU 26 7.161 5.940 1.250
207 HB3 GLU 26 HB3 GLU 26 8.270 4.863 2.086
208 HG2 GLU 26 HG2 GLU 26 7.741 6.652 3.551
209 HG3 GLU 26 HG3 GLU 26 9.410 6.861 3.025
210 H VAL 27 H VAL 27 8.530 3.520 0.120
211 HA VAL 27 HA VAL 27 10.761 2.225 1.218
212 HB VAL 27 HB VAL 27 8.833 1.189 -0.876
213 HG11 VAL 27 HG11 VAL 27 10.879 -0.141 -0.806
214 HG12 VAL 27 HG12 VAL 27 9.518 -1.042 -0.137
215 HG13 VAL 27 HG13 VAL 27 10.712 -0.320 0.940
216 HG21 VAL 27 HG21 VAL 27 8.819 0.894 2.128
217 HG22 VAL 27 HG22 VAL 27 7.679 0.143 1.011
218 HG23 VAL 27 HG23 VAL 27 7.720 1.898 1.183
219 H ALA 28 H ALA 28 10.010 3.197 -2.102
220 HA ALA 28 HA ALA 28 12.167 1.995 -3.403
221 HB1 ALA 28 HB1 ALA 28 11.806 3.612 -5.184
222 HB2 ALA 28 HB2 ALA 28 10.835 4.610 -4.102
223 HB3 ALA 28 HB3 ALA 28 10.265 3.008 -4.575
224 H ARG 29 H ARG 29 11.914 5.173 -1.857
225 HA ARG 29 HA ARG 29 14.509 6.071 -2.515
226 HB2 ARG 29 HB2 ARG 29 12.706 7.553 -1.705
227 HB3 ARG 29 HB3 ARG 29 12.802 6.792 -0.124
228 HG2 ARG 29 HG2 ARG 29 13.962 8.892 -0.062
229 HG3 ARG 29 HG3 ARG 29 15.137 7.582 0.077
230 HD2 ARG 29 HD2 ARG 29 15.970 9.275 -1.434
231 HD3 ARG 29 HD3 ARG 29 15.622 7.796 -2.328
232 HE ARG 29 HE ARG 29 13.425 9.626 -2.333
233 HH11 ARG 29 HH11 ARG 29 16.469 8.852 -3.879
234 HH12 ARG 29 HH12 ARG 29 16.057 9.637 -5.374
235 HH21 ARG 29 HH21 ARG 29 12.870 10.670 -4.275
236 HH22 ARG 29 HH22 ARG 29 14.012 10.701 -5.593
237 H LEU 30 H LEU 30 13.240 4.352 0.303
238 HA LEU 30 HA LEU 30 15.671 4.415 1.756
239 HB2 LEU 30 HB2 LEU 30 13.062 3.032 2.036
240 HB3 LEU 30 HB3 LEU 30 14.421 2.375 2.925
241 HG LEU 30 HG LEU 30 14.735 4.519 4.065
242 HD11 LEU 30 HD11 LEU 30 13.948 6.033 2.342
243 HD12 LEU 30 HD12 LEU 30 13.061 6.297 3.844
244 HD13 LEU 30 HD13 LEU 30 12.306 5.411 2.519
245 HD21 LEU 30 HD21 LEU 30 12.721 4.463 5.431
246 HD22 LEU 30 HD22 LEU 30 13.279 2.833 5.056
247 HD23 LEU 30 HD23 LEU 30 11.899 3.513 4.193
248 H LYS 31 H LYS 31 14.202 1.915 -0.332
249 HA LYS 31 HA LYS 31 16.261 0.024 0.258
250 HB2 LYS 31 HB2 LYS 31 15.332 -1.345 -1.518
251 HB3 LYS 31 HB3 LYS 31 14.054 -0.722 -0.489
252 HG2 LYS 31 HG2 LYS 31 13.528 0.973 -2.174
253 HG3 LYS 31 HG3 LYS 31 14.802 0.326 -3.210
254 HD2 LYS 31 HD2 LYS 31 13.656 -1.784 -3.394
255 HD3 LYS 31 HD3 LYS 31 12.447 -1.276 -2.215
256 HE2 LYS 31 HE2 LYS 31 11.686 0.473 -3.744
257 HE3 LYS 31 HE3 LYS 31 12.905 -0.023 -4.919
258 HZ1 LYS 31 HZ1 LYS 31 11.831 -2.141 -5.147
259 HZ2 LYS 31 HZ2 LYS 31 10.681 -0.924 -5.396
260 HZ3 LYS 31 HZ3 LYS 31 10.715 -1.769 -3.924
261 H LYS 32 H LYS 32 15.898 2.569 -2.103
262 HA LYS 32 HA LYS 32 18.152 1.820 -3.687
263 HB2 LYS 32 HB2 LYS 32 16.433 3.402 -4.480
264 HB3 LYS 32 HB3 LYS 32 16.912 4.546 -3.237
265 HG2 LYS 32 HG2 LYS 32 17.822 5.175 -5.395
266 HG3 LYS 32 HG3 LYS 32 19.118 4.753 -4.272
267 HD2 LYS 32 HD2 LYS 32 19.388 2.599 -5.305
268 HD3 LYS 32 HD3 LYS 32 17.970 2.864 -6.323
269 HE2 LYS 32 HE2 LYS 32 19.097 4.680 -7.469
270 HE3 LYS 32 HE3 LYS 32 20.496 4.514 -6.409
271 HZ1 LYS 32 HZ1 LYS 32 19.540 2.296 -8.122
272 HZ2 LYS 32 HZ2 LYS 32 21.051 2.461 -7.361
273 HZ3 LYS 32 HZ3 LYS 32 20.651 3.448 -8.680
274 H LEU 33 H LEU 33 17.653 3.923 -0.904
275 HA LEU 33 HA LEU 33 20.254 4.933 -0.667
276 HB2 LEU 33 HB2 LEU 33 18.320 5.871 0.497
277 HB3 LEU 33 HB3 LEU 33 18.181 4.418 1.467
278 HG LEU 33 HG LEU 33 20.432 4.929 2.438
279 HD11 LEU 33 HD11 LEU 33 20.055 7.551 0.997
280 HD12 LEU 33 HD12 LEU 33 21.282 6.335 0.640
281 HD13 LEU 33 HD13 LEU 33 21.314 7.191 2.182
282 HD21 LEU 33 HD21 LEU 33 19.619 6.692 3.918
283 HD22 LEU 33 HD22 LEU 33 18.367 5.489 3.614
284 HD23 LEU 33 HD23 LEU 33 18.311 7.047 2.790
285 H VAL 34 H VAL 34 18.743 2.070 0.812
286 HA VAL 34 HA VAL 34 21.175 1.323 2.163
287 HB VAL 34 HB VAL 34 18.872 0.794 3.032
288 HG11 VAL 34 HG11 VAL 34 17.843 0.068 0.950
289 HG12 VAL 34 HG12 VAL 34 17.731 -1.191 2.180
290 HG13 VAL 34 HG13 VAL 34 18.923 -1.325 0.886
291 HG21 VAL 34 HG21 VAL 34 19.481 -1.431 3.879
292 HG22 VAL 34 HG22 VAL 34 20.829 -0.297 3.954
293 HG23 VAL 34 HG23 VAL 34 20.775 -1.521 2.685
294 H GLY 35 H GLY 35 19.756 0.744 -0.930
295 HA2 GLY 35 HA2 GLY 35 21.139 -1.643 -1.605
296 HA3 GLY 35 HA3 GLY 35 20.452 -0.492 -2.741
297 H GLU 36 H GLU 36 21.794 1.757 -2.388
298 HA GLU 36 HA GLU 36 23.717 2.902 -2.701
299 HB2 GLU 36 HB2 GLU 36 24.538 0.657 -0.989
300 HB3 GLU 36 HB3 GLU 36 25.846 1.420 -1.881
301 HG2 GLU 36 HG2 GLU 36 23.901 2.832 -0.071
302 HG3 GLU 36 HG3 GLU 36 25.561 2.393 0.336
303 H ARG 37 H ARG 37 25.998 2.729 -3.634
304 HA ARG 37 HA ARG 37 27.290 2.456 -5.470
305 HB2 ARG 37 HB2 ARG 37 26.475 -0.425 -5.067
306 HB3 ARG 37 HB3 ARG 37 27.844 0.120 -6.028
307 HG2 ARG 37 HG2 ARG 37 28.837 1.115 -4.008
308 HG3 ARG 37 HG3 ARG 37 27.485 0.492 -3.060
309 HD2 ARG 37 HD2 ARG 37 28.093 -1.791 -3.708
310 HD3 ARG 37 HD3 ARG 37 29.453 -1.160 -4.636
311 HE ARG 37 HE ARG 37 29.442 -0.380 -1.857
312 HH11 ARG 37 HH11 ARG 37 30.462 -2.817 -4.171
313 HH12 ARG 37 HH12 ARG 37 31.761 -3.403 -3.172
314 HH21 ARG 37 HH21 ARG 37 31.137 -1.178 -0.531
315 HH22 ARG 37 HH22 ARG 37 32.135 -2.482 -1.105
316 HA2 GLY 0 HA2 GLY 0 -30.272 -16.725 -12.860
317 HA3 GLY 0 HA3 GLY 0 -29.405 -17.645 -11.636
318 H ALA 1 H ALA 1 -29.802 -15.776 -10.267
319 HA ALA 1 HA ALA 1 -27.892 -13.592 -10.794
320 HB1 ALA 1 HB1 ALA 1 -29.359 -12.132 -9.467
321 HB2 ALA 1 HB2 ALA 1 -30.502 -13.462 -9.284
322 HB3 ALA 1 HB3 ALA 1 -30.187 -12.782 -10.881
323 H GLY 2 H GLY 2 -26.139 -14.138 -9.627
324 HA2 GLY 2 HA2 GLY 2 -26.553 -15.229 -6.922
325 HA3 GLY 2 HA3 GLY 2 -25.087 -15.392 -7.876
326 H SER 3 H SER 3 -23.870 -14.647 -6.096
327 HA SER 3 HA SER 3 -24.265 -11.842 -5.333
328 HB2 SER 3 HB2 SER 3 -22.458 -12.550 -3.588
329 HB3 SER 3 HB3 SER 3 -24.116 -13.117 -3.391
330 HG SER 3 HG SER 3 -21.869 -14.539 -4.397
331 H SER 4 H SER 4 -23.331 -12.062 -7.843
332 HA SER 4 HA SER 4 -20.615 -12.327 -8.274
333 HB2 SER 4 HB2 SER 4 -22.503 -10.447 -9.715
334 HB3 SER 4 HB3 SER 4 -21.013 -11.144 -10.353
335 HG SER 4 HG SER 4 -22.008 -13.224 -10.113
336 H SER 5 H SER 5 -22.420 -9.272 -7.901
337 HA SER 5 HA SER 5 -20.162 -7.624 -7.823
338 HB2 SER 5 HB2 SER 5 -22.860 -7.062 -6.577
339 HB3 SER 5 HB3 SER 5 -21.688 -5.883 -7.171
340 HG SER 5 HG SER 5 -22.006 -6.883 -9.284
341 H LEU 6 H LEU 6 -22.190 -8.961 -5.243
342 HA LEU 6 HA LEU 6 -21.169 -7.652 -3.061
343 HB2 LEU 6 HB2 LEU 6 -23.139 -9.242 -3.202
344 HB3 LEU 6 HB3 LEU 6 -21.990 -10.555 -3.078
345 HG LEU 6 HG LEU 6 -22.177 -8.434 -0.943
346 HD11 LEU 6 HD11 LEU 6 -23.681 -9.910 0.278
347 HD12 LEU 6 HD12 LEU 6 -23.723 -11.018 -1.093
348 HD13 LEU 6 HD13 LEU 6 -24.407 -9.400 -1.248
349 HD21 LEU 6 HD21 LEU 6 -21.235 -10.190 0.465
350 HD22 LEU 6 HD22 LEU 6 -20.197 -9.894 -0.930
351 HD23 LEU 6 HD23 LEU 6 -21.249 -11.309 -0.898
352 H GLU 7 H GLU 7 -20.124 -10.870 -4.219
353 HA GLU 7 HA GLU 7 -18.117 -11.156 -2.284
354 HB2 GLU 7 HB2 GLU 7 -18.429 -12.499 -4.972
355 HB3 GLU 7 HB3 GLU 7 -17.320 -13.017 -3.710
356 HG2 GLU 7 HG2 GLU 7 -19.173 -13.500 -2.233
357 HG3 GLU 7 HG3 GLU 7 -20.314 -12.884 -3.427
358 H ALA 8 H ALA 8 -18.054 -9.962 -5.610
359 HA ALA 8 HA ALA 8 -15.300 -9.908 -5.982
360 HB1 ALA 8 HB1 ALA 8 -15.739 -8.344 -7.791
361 HB2 ALA 8 HB2 ALA 8 -17.361 -8.053 -7.167
362 HB3 ALA 8 HB3 ALA 8 -16.931 -9.643 -7.796
363 H VAL 9 H VAL 9 -17.488 -7.397 -4.739
364 HA VAL 9 HA VAL 9 -15.659 -5.319 -4.582
365 HB VAL 9 HB VAL 9 -18.053 -5.849 -2.808
366 HG11 VAL 9 HG11 VAL 9 -16.532 -4.257 -1.754
367 HG12 VAL 9 HG12 VAL 9 -17.997 -3.448 -2.312
368 HG13 VAL 9 HG13 VAL 9 -16.499 -3.295 -3.231
369 HG21 VAL 9 HG21 VAL 9 -19.187 -4.246 -4.296
370 HG22 VAL 9 HG22 VAL 9 -18.644 -5.685 -5.158
371 HG23 VAL 9 HG23 VAL 9 -17.740 -4.178 -5.302
372 H ARG 10 H ARG 10 -16.457 -7.820 -2.203
373 HA ARG 10 HA ARG 10 -15.067 -6.753 -0.033
374 HB2 ARG 10 HB2 ARG 10 -15.447 -9.692 -0.608
375 HB3 ARG 10 HB3 ARG 10 -15.191 -8.945 0.962
376 HG2 ARG 10 HG2 ARG 10 -17.372 -7.776 0.685
377 HG3 ARG 10 HG3 ARG 10 -17.628 -8.719 -0.785
378 HD2 ARG 10 HD2 ARG 10 -17.371 -9.713 2.041
379 HD3 ARG 10 HD3 ARG 10 -18.753 -9.867 0.955
380 HE ARG 10 HE ARG 10 -17.140 -11.300 -0.424
381 HH11 ARG 10 HH11 ARG 10 -17.080 -11.072 3.068
382 HH12 ARG 10 HH12 ARG 10 -16.360 -12.638 3.283
383 HH21 ARG 10 HH21 ARG 10 -16.182 -13.351 -0.151
384 HH22 ARG 10 HH22 ARG 10 -15.859 -13.944 1.455
385 H ARG 11 H ARG 11 -14.043 -9.159 -2.446
386 HA ARG 11 HA ARG 11 -11.533 -9.648 -1.308
387 HB2 ARG 11 HB2 ARG 11 -12.646 -11.135 -2.950
388 HB3 ARG 11 HB3 ARG 11 -12.354 -9.938 -4.204
389 HG2 ARG 11 HG2 ARG 11 -9.970 -10.218 -3.974
390 HG3 ARG 11 HG3 ARG 11 -10.203 -11.326 -2.621
391 HD2 ARG 11 HD2 ARG 11 -11.131 -11.769 -5.455
392 HD3 ARG 11 HD3 ARG 11 -9.734 -12.533 -4.698
393 HE ARG 11 HE ARG 11 -11.688 -13.270 -3.033
394 HH11 ARG 11 HH11 ARG 11 -11.534 -13.297 -6.530
395 HH12 ARG 11 HH12 ARG 11 -12.598 -14.658 -6.706
396 HH21 ARG 11 HH21 ARG 11 -13.113 -15.062 -3.250
397 HH22 ARG 11 HH22 ARG 11 -13.497 -15.664 -4.840
398 H LYS 12 H LYS 12 -12.686 -7.210 -3.530
399 HA LYS 12 HA LYS 12 -10.189 -6.332 -4.468
400 HB2 LYS 12 HB2 LYS 12 -12.444 -5.760 -5.453
401 HB3 LYS 12 HB3 LYS 12 -12.661 -4.630 -4.123
402 HG2 LYS 12 HG2 LYS 12 -11.898 -3.431 -6.048
403 HG3 LYS 12 HG3 LYS 12 -10.602 -3.454 -4.848
404 HD2 LYS 12 HD2 LYS 12 -9.677 -5.459 -6.068
405 HD3 LYS 12 HD3 LYS 12 -10.850 -5.124 -7.341
406 HE2 LYS 12 HE2 LYS 12 -9.885 -2.876 -7.604
407 HE3 LYS 12 HE3 LYS 12 -8.674 -3.271 -6.383
408 HZ1 LYS 12 HZ1 LYS 12 -9.014 -4.470 -9.070
409 HZ2 LYS 12 HZ2 LYS 12 -8.063 -5.194 -7.866
410 HZ3 LYS 12 HZ3 LYS 12 -7.657 -3.655 -8.452
411 H ILE 13 H ILE 13 -12.296 -5.009 -1.894
412 HA ILE 13 HA ILE 13 -10.375 -3.063 -1.167
413 HB ILE 13 HB ILE 13 -11.842 -2.704 0.852
414 HG12 ILE 13 HG12 ILE 13 -14.230 -3.745 0.347
415 HG13 ILE 13 HG13 ILE 13 -13.266 -5.020 -0.386
416 HG21 ILE 13 HG21 ILE 13 -12.053 -1.379 -1.165
417 HG22 ILE 13 HG22 ILE 13 -13.637 -1.664 -0.444
418 HG23 ILE 13 HG23 ILE 13 -13.137 -2.582 -1.864
419 HD11 ILE 13 HD11 ILE 13 -13.855 -5.549 1.905
420 HD12 ILE 13 HD12 ILE 13 -13.064 -4.076 2.463
421 HD13 ILE 13 HD13 ILE 13 -12.110 -5.365 1.730
422 H ARG 14 H ARG 14 -10.998 -6.331 -0.200
423 HA ARG 14 HA ARG 14 -9.630 -6.476 2.207
424 HB2 ARG 14 HB2 ARG 14 -10.886 -8.366 1.352
425 HB3 ARG 14 HB3 ARG 14 -9.835 -8.480 -0.051
426 HG2 ARG 14 HG2 ARG 14 -9.277 -10.220 1.497
427 HG3 ARG 14 HG3 ARG 14 -7.956 -9.054 1.441
428 HD2 ARG 14 HD2 ARG 14 -8.338 -9.663 3.724
429 HD3 ARG 14 HD3 ARG 14 -8.882 -8.001 3.492
430 HE ARG 14 HE ARG 14 -11.181 -9.132 3.205
431 HH11 ARG 14 HH11 ARG 14 -8.646 -10.151 5.394
432 HH12 ARG 14 HH12 ARG 14 -9.745 -10.920 6.507
433 HH21 ARG 14 HH21 ARG 14 -12.627 -10.125 4.660
434 HH22 ARG 14 HH22 ARG 14 -12.015 -10.852 6.120
435 H SER 15 H SER 15 -8.417 -6.933 -1.087
436 HA SER 15 HA SER 15 -5.759 -7.418 -0.489
437 HB2 SER 15 HB2 SER 15 -6.839 -5.998 -2.941
438 HB3 SER 15 HB3 SER 15 -5.324 -6.895 -2.819
439 HG SER 15 HG SER 15 -7.973 -7.871 -2.840
440 H LEU 16 H LEU 16 -7.454 -4.366 -1.088
441 HA LEU 16 HA LEU 16 -5.206 -2.699 -1.092
442 HB2 LEU 16 HB2 LEU 16 -8.056 -2.074 -0.319
443 HB3 LEU 16 HB3 LEU 16 -6.815 -0.879 -0.644
444 HG LEU 16 HG LEU 16 -7.930 -2.846 -2.647
445 HD11 LEU 16 HD11 LEU 16 -9.522 -1.102 -2.061
446 HD12 LEU 16 HD12 LEU 16 -8.906 -0.865 -3.696
447 HD13 LEU 16 HD13 LEU 16 -8.303 0.133 -2.373
448 HD21 LEU 16 HD21 LEU 16 -5.587 -2.342 -3.077
449 HD22 LEU 16 HD22 LEU 16 -5.931 -0.613 -2.986
450 HD23 LEU 16 HD23 LEU 16 -6.625 -1.585 -4.286
451 H GLN 17 H GLN 17 -7.480 -3.538 1.520
452 HA GLN 17 HA GLN 17 -6.443 -1.884 3.488
453 HB2 GLN 17 HB2 GLN 17 -7.783 -4.578 3.746
454 HB3 GLN 17 HB3 GLN 17 -7.426 -3.531 5.110
455 HG2 GLN 17 HG2 GLN 17 -8.861 -1.800 4.138
456 HG3 GLN 17 HG3 GLN 17 -9.248 -2.889 2.806
457 HE21 GLN 17 HE21 GLN 17 -11.443 -2.917 3.309
458 HE22 GLN 17 HE22 GLN 17 -12.059 -3.767 4.685
459 H GLU 18 H GLU 18 -5.672 -5.308 2.855
460 HA GLU 18 HA GLU 18 -3.942 -5.541 5.058
461 HB2 GLU 18 HB2 GLU 18 -5.113 -7.421 3.872
462 HB3 GLU 18 HB3 GLU 18 -3.936 -7.257 2.575
463 HG2 GLU 18 HG2 GLU 18 -2.139 -7.688 4.232
464 HG3 GLU 18 HG3 GLU 18 -3.386 -7.995 5.440
465 H GLN 19 H GLN 19 -3.454 -4.563 1.743
466 HA GLN 19 HA GLN 19 -0.749 -5.006 1.437
467 HB2 GLN 19 HB2 GLN 19 -2.215 -4.276 -0.392
468 HB3 GLN 19 HB3 GLN 19 -2.377 -2.697 0.358
469 HG2 GLN 19 HG2 GLN 19 -0.806 -2.655 -1.501
470 HG3 GLN 19 HG3 GLN 19 -0.012 -2.264 0.023
471 HE21 GLN 19 HE21 GLN 19 1.456 -3.716 0.905
472 HE22 GLN 19 HE22 GLN 19 2.151 -5.010 -0.025
473 H ASN 20 H ASN 20 -2.413 -2.334 3.027
474 HA ASN 20 HA ASN 20 -0.353 -0.552 3.400
475 HB2 ASN 20 HB2 ASN 20 -2.620 -1.264 5.268
476 HB3 ASN 20 HB3 ASN 20 -1.544 0.106 5.520
477 HD21 ASN 20 HD21 ASN 20 -4.154 -1.187 3.656
478 HD22 ASN 20 HD22 ASN 20 -4.543 0.271 2.814
479 H TYR 21 H TYR 21 -1.312 -3.155 5.627
480 HA TYR 21 HA TYR 21 0.609 -2.678 7.564
481 HB2 TYR 21 HB2 TYR 21 -0.870 -5.197 6.815
482 HB3 TYR 21 HB3 TYR 21 0.203 -5.099 8.209
483 HD1 TYR 21 HD1 TYR 21 -3.002 -4.043 6.797
484 HD2 TYR 21 HD2 TYR 21 -0.406 -3.808 10.158
485 HE1 TYR 21 HE1 TYR 21 -4.850 -3.150 8.154
486 HE2 TYR 21 HE2 TYR 21 -2.240 -2.926 11.529
487 HH TYR 21 HH TYR 21 -4.339 -1.800 11.291
488 H HIS 22 H HIS 22 0.741 -4.756 4.707
489 HA HIS 22 HA HIS 22 3.137 -6.054 5.235
490 HB2 HIS 22 HB2 HIS 22 1.875 -5.222 2.620
491 HB3 HIS 22 HB3 HIS 22 3.364 -6.157 2.696
492 HD1 HIS 22 HD1 HIS 22 3.189 -8.604 3.541
493 HD2 HIS 22 HD2 HIS 22 -0.463 -6.653 3.142
494 HE1 HIS 22 HE1 HIS 22 1.437 -10.412 3.652
495 HE2 HIS 22 HE2 HIS 22 -0.765 -9.222 3.317
496 H LEU 23 H LEU 23 2.546 -2.983 3.573
497 HA LEU 23 HA LEU 23 5.274 -2.452 3.038
498 HB2 LEU 23 HB2 LEU 23 2.910 -0.574 3.158
499 HB3 LEU 23 HB3 LEU 23 4.487 -0.170 2.510
500 HG LEU 23 HG LEU 23 2.630 -2.272 1.389
501 HD11 LEU 23 HD11 LEU 23 2.354 -0.710 -0.471
502 HD12 LEU 23 HD12 LEU 23 3.348 0.474 0.376
503 HD13 LEU 23 HD13 LEU 23 1.791 -0.010 1.046
504 HD21 LEU 23 HD21 LEU 23 4.208 -2.344 -0.485
505 HD22 LEU 23 HD22 LEU 23 4.982 -2.821 1.024
506 HD23 LEU 23 HD23 LEU 23 5.265 -1.213 0.360
507 H GLU 24 H GLU 24 2.991 -1.228 5.459
508 HA GLU 24 HA GLU 24 4.617 0.610 6.703
509 HB2 GLU 24 HB2 GLU 24 2.437 -1.114 7.890
510 HB3 GLU 24 HB3 GLU 24 3.153 0.272 8.697
511 HG2 GLU 24 HG2 GLU 24 2.360 1.737 6.927
512 HG3 GLU 24 HG3 GLU 24 1.669 0.355 6.078
513 H ASN 25 H ASN 25 4.209 -2.829 7.483
514 HA ASN 25 HA ASN 25 5.913 -2.820 9.723
515 HB2 ASN 25 HB2 ASN 25 4.828 -4.970 7.936
516 HB3 ASN 25 HB3 ASN 25 6.071 -5.359 9.119
517 HD21 ASN 25 HD21 ASN 25 2.793 -4.296 8.651
518 HD22 ASN 25 HD22 ASN 25 2.260 -4.591 10.273
519 H GLU 26 H GLU 26 6.480 -3.686 6.325
520 HA GLU 26 HA GLU 26 9.106 -4.607 6.800
521 HB2 GLU 26 HB2 GLU 26 7.581 -5.233 4.868
522 HB3 GLU 26 HB3 GLU 26 8.023 -3.693 4.143
523 HG2 GLU 26 HG2 GLU 26 9.343 -5.580 3.278
524 HG3 GLU 26 HG3 GLU 26 10.338 -4.343 4.048
525 H VAL 27 H VAL 27 7.789 -1.525 5.628
526 HA VAL 27 HA VAL 27 10.288 -0.435 4.921
527 HB VAL 27 HB VAL 27 8.103 0.478 4.118
528 HG11 VAL 27 HG11 VAL 27 6.865 0.464 6.221
529 HG12 VAL 27 HG12 VAL 27 6.884 2.076 5.502
530 HG13 VAL 27 HG13 VAL 27 7.938 1.706 6.865
531 HG21 VAL 27 HG21 VAL 27 8.793 2.830 4.172
532 HG22 VAL 27 HG22 VAL 27 10.148 1.751 3.836
533 HG23 VAL 27 HG23 VAL 27 9.954 2.452 5.444
534 H ALA 28 H ALA 28 8.497 -0.589 7.926
535 HA ALA 28 HA ALA 28 9.966 1.302 9.383
536 HB1 ALA 28 HB1 ALA 28 9.087 0.182 11.367
537 HB2 ALA 28 HB2 ALA 28 8.571 -1.183 10.376
538 HB3 ALA 28 HB3 ALA 28 7.825 0.400 10.156
539 H ARG 29 H ARG 29 10.390 -2.152 8.846
540 HA ARG 29 HA ARG 29 12.583 -2.539 10.558
541 HB2 ARG 29 HB2 ARG 29 11.998 -4.045 7.998
542 HB3 ARG 29 HB3 ARG 29 12.936 -4.616 9.372
543 HG2 ARG 29 HG2 ARG 29 9.985 -4.018 9.391
544 HG3 ARG 29 HG3 ARG 29 10.716 -5.621 9.305
545 HD2 ARG 29 HD2 ARG 29 11.652 -5.394 11.490
546 HD3 ARG 29 HD3 ARG 29 11.206 -3.690 11.562
547 HE ARG 29 HE ARG 29 8.959 -4.300 11.902
548 HH11 ARG 29 HH11 ARG 29 11.079 -7.083 11.657
549 HH12 ARG 29 HH12 ARG 29 9.932 -8.166 12.389
550 HH21 ARG 29 HH21 ARG 29 7.464 -5.707 12.845
551 HH22 ARG 29 HH22 ARG 29 7.863 -7.383 13.059
552 H LEU 30 H LEU 30 12.371 -1.940 7.077
553 HA LEU 30 HA LEU 30 15.102 -1.918 6.516
554 HB2 LEU 30 HB2 LEU 30 13.307 -2.056 4.825
555 HB3 LEU 30 HB3 LEU 30 12.874 -0.390 5.160
556 HG LEU 30 HG LEU 30 15.098 0.328 4.353
557 HD11 LEU 30 HD11 LEU 30 16.522 -1.253 3.167
558 HD12 LEU 30 HD12 LEU 30 15.432 -2.571 3.595
559 HD13 LEU 30 HD13 LEU 30 16.327 -1.725 4.856
560 HD21 LEU 30 HD21 LEU 30 13.563 -1.375 2.395
561 HD22 LEU 30 HD22 LEU 30 14.665 -0.057 1.992
562 HD23 LEU 30 HD23 LEU 30 13.160 0.279 2.849
563 H LYS 31 H LYS 31 12.872 0.723 7.265
564 HA LYS 31 HA LYS 31 14.561 2.881 6.982
565 HB2 LYS 31 HB2 LYS 31 12.072 2.902 7.379
566 HB3 LYS 31 HB3 LYS 31 12.406 2.597 9.079
567 HG2 LYS 31 HG2 LYS 31 13.592 4.704 9.248
568 HG3 LYS 31 HG3 LYS 31 13.342 4.999 7.525
569 HD2 LYS 31 HD2 LYS 31 10.881 4.877 7.942
570 HD3 LYS 31 HD3 LYS 31 11.233 4.804 9.670
571 HE2 LYS 31 HE2 LYS 31 12.333 6.972 9.553
572 HE3 LYS 31 HE3 LYS 31 12.046 7.037 7.814
573 HZ1 LYS 31 HZ1 LYS 31 9.974 7.018 9.942
574 HZ2 LYS 31 HZ2 LYS 31 9.649 6.975 8.277
575 HZ3 LYS 31 HZ3 LYS 31 10.396 8.333 8.959
576 H LYS 32 H LYS 32 13.893 0.976 9.917
577 HA LYS 32 HA LYS 32 15.720 2.475 11.508
578 HB2 LYS 32 HB2 LYS 32 13.879 1.371 12.572
579 HB3 LYS 32 HB3 LYS 32 14.387 -0.193 11.951
580 HG2 LYS 32 HG2 LYS 32 16.260 -0.261 13.396
581 HG3 LYS 32 HG3 LYS 32 16.066 1.437 13.834
582 HD2 LYS 32 HD2 LYS 32 14.054 -0.720 14.445
583 HD3 LYS 32 HD3 LYS 32 15.281 -0.152 15.580
584 HE2 LYS 32 HE2 LYS 32 13.135 1.542 14.312
585 HE3 LYS 32 HE3 LYS 32 13.111 0.923 15.961
586 HZ1 LYS 32 HZ1 LYS 32 15.052 2.228 16.475
587 HZ2 LYS 32 HZ2 LYS 32 13.857 3.238 15.827
588 HZ3 LYS 32 HZ3 LYS 32 15.175 2.770 14.872
589 H LEU 33 H LEU 33 15.955 -0.554 9.725
590 HA LEU 33 HA LEU 33 18.363 -1.484 10.817
591 HB2 LEU 33 HB2 LEU 33 16.837 -2.846 9.440
592 HB3 LEU 33 HB3 LEU 33 17.289 -1.910 8.028
593 HG LEU 33 HG LEU 33 19.618 -2.722 8.264
594 HD11 LEU 33 HD11 LEU 33 19.566 -3.143 10.686
595 HD12 LEU 33 HD12 LEU 33 20.114 -4.553 9.780
596 HD13 LEU 33 HD13 LEU 33 18.469 -4.497 10.417
597 HD21 LEU 33 HD21 LEU 33 18.081 -3.856 6.767
598 HD22 LEU 33 HD22 LEU 33 17.504 -4.865 8.093
599 HD23 LEU 33 HD23 LEU 33 19.170 -5.019 7.529
600 H VAL 34 H VAL 34 17.767 0.599 8.001
601 HA VAL 34 HA VAL 34 20.626 0.936 7.586
602 HB VAL 34 HB VAL 34 19.045 0.845 5.660
603 HG11 VAL 34 HG11 VAL 34 17.684 2.785 5.108
604 HG12 VAL 34 HG12 VAL 34 18.157 3.563 6.620
605 HG13 VAL 34 HG13 VAL 34 17.188 2.089 6.651
606 HG21 VAL 34 HG21 VAL 34 20.636 3.396 5.915
607 HG22 VAL 34 HG22 VAL 34 20.047 2.705 4.405
608 HG23 VAL 34 HG23 VAL 34 21.240 1.831 5.366
609 H GLY 35 H GLY 35 18.146 2.383 9.406
610 HA2 GLY 35 HA2 GLY 35 19.140 5.079 9.281
611 HA3 GLY 35 HA3 GLY 35 17.816 4.498 10.273
612 H GLU 36 H GLU 36 18.509 3.141 12.222
613 HA GLU 36 HA GLU 36 21.059 3.954 13.308
614 HB2 GLU 36 HB2 GLU 36 19.731 5.000 15.322
615 HB3 GLU 36 HB3 GLU 36 20.153 5.952 13.911
616 HG2 GLU 36 HG2 GLU 36 17.941 6.524 14.367
617 HG3 GLU 36 HG3 GLU 36 17.832 5.389 13.029
618 H ARG 37 H ARG 37 21.798 2.685 14.860
619 HA ARG 37 HA ARG 37 20.163 1.468 16.826
620 HB2 ARG 37 HB2 ARG 37 19.696 -0.142 15.031
621 HB3 ARG 37 HB3 ARG 37 21.422 -0.391 14.795
622 HG2 ARG 37 HG2 ARG 37 21.627 -1.367 16.993
623 HG3 ARG 37 HG3 ARG 37 19.934 -1.016 17.338
624 HD2 ARG 37 HD2 ARG 37 20.864 -2.801 15.096
625 HD3 ARG 37 HD3 ARG 37 20.403 -3.387 16.694
626 HE ARG 37 HE ARG 37 18.204 -2.109 16.086
627 HH11 ARG 37 HH11 ARG 37 20.187 -4.071 13.967
628 HH12 ARG 37 HH12 ARG 37 18.844 -4.566 12.979
629 HH21 ARG 37 HH21 ARG 37 16.458 -2.741 14.794
630 HH22 ARG 37 HH22 ARG 37 16.718 -3.776 13.419
Start of MODEL 3
1 HA2 GLY 0 HA2 GLY 0 -21.661 1.349 8.103
2 HA3 GLY 0 HA3 GLY 0 -21.012 0.612 6.644
3 H ALA 1 H ALA 1 -23.470 2.120 6.939
4 HA ALA 1 HA ALA 1 -25.253 0.240 5.663
5 HB1 ALA 1 HB1 ALA 1 -25.737 -0.145 8.042
6 HB2 ALA 1 HB2 ALA 1 -27.118 0.539 7.184
7 HB3 ALA 1 HB3 ALA 1 -26.131 1.563 8.226
8 H GLY 2 H GLY 2 -24.847 3.487 7.035
9 HA2 GLY 2 HA2 GLY 2 -26.828 4.586 5.226
10 HA3 GLY 2 HA3 GLY 2 -25.893 5.472 6.422
11 H SER 3 H SER 3 -26.089 6.840 4.264
12 HA SER 3 HA SER 3 -24.348 6.196 2.124
13 HB2 SER 3 HB2 SER 3 -25.296 8.943 2.974
14 HB3 SER 3 HB3 SER 3 -24.715 8.473 1.378
15 HG SER 3 HG SER 3 -27.134 8.547 1.947
16 H SER 4 H SER 4 -23.870 7.623 5.233
17 HA SER 4 HA SER 4 -21.443 8.975 4.771
18 HB2 SER 4 HB2 SER 4 -22.392 7.656 7.327
19 HB3 SER 4 HB3 SER 4 -21.171 8.924 7.194
20 HG SER 4 HG SER 4 -23.080 10.049 6.029
21 H SER 5 H SER 5 -22.221 5.614 5.267
22 HA SER 5 HA SER 5 -19.612 4.710 5.893
23 HB2 SER 5 HB2 SER 5 -21.917 3.221 4.610
24 HB3 SER 5 HB3 SER 5 -20.490 2.482 5.342
25 HG SER 5 HG SER 5 -21.111 3.420 7.335
26 H LEU 6 H LEU 6 -21.417 5.064 2.871
27 HA LEU 6 HA LEU 6 -19.456 3.934 1.181
28 HB2 LEU 6 HB2 LEU 6 -21.905 4.383 0.668
29 HB3 LEU 6 HB3 LEU 6 -21.463 6.062 0.433
30 HG LEU 6 HG LEU 6 -20.151 3.881 -1.172
31 HD11 LEU 6 HD11 LEU 6 -22.565 3.610 -1.433
32 HD12 LEU 6 HD12 LEU 6 -21.829 4.241 -2.906
33 HD13 LEU 6 HD13 LEU 6 -22.717 5.322 -1.833
34 HD21 LEU 6 HD21 LEU 6 -20.675 6.807 -1.701
35 HD22 LEU 6 HD22 LEU 6 -19.853 5.689 -2.791
36 HD23 LEU 6 HD23 LEU 6 -19.127 6.097 -1.238
37 H GLU 7 H GLU 7 -20.131 7.255 2.206
38 HA GLU 7 HA GLU 7 -18.108 8.527 0.725
39 HB2 GLU 7 HB2 GLU 7 -20.128 9.372 2.313
40 HB3 GLU 7 HB3 GLU 7 -18.771 9.611 3.404
41 HG2 GLU 7 HG2 GLU 7 -18.945 10.748 0.621
42 HG3 GLU 7 HG3 GLU 7 -19.388 11.619 2.086
43 H ALA 8 H ALA 8 -18.133 7.098 3.965
44 HA ALA 8 HA ALA 8 -15.508 7.797 4.697
45 HB1 ALA 8 HB1 ALA 8 -17.169 7.029 6.316
46 HB2 ALA 8 HB2 ALA 8 -15.702 6.051 6.395
47 HB3 ALA 8 HB3 ALA 8 -17.139 5.423 5.587
48 H VAL 9 H VAL 9 -16.802 4.936 3.031
49 HA VAL 9 HA VAL 9 -14.363 3.537 2.841
50 HB VAL 9 HB VAL 9 -16.762 3.474 0.997
51 HG11 VAL 9 HG11 VAL 9 -15.881 1.356 0.156
52 HG12 VAL 9 HG12 VAL 9 -14.434 1.560 1.144
53 HG13 VAL 9 HG13 VAL 9 -14.767 2.684 -0.175
54 HG21 VAL 9 HG21 VAL 9 -17.287 1.385 2.169
55 HG22 VAL 9 HG22 VAL 9 -17.249 2.763 3.271
56 HG23 VAL 9 HG23 VAL 9 -15.896 1.632 3.223
57 H ARG 10 H ARG 10 -15.948 5.794 0.589
58 HA ARG 10 HA ARG 10 -13.995 5.851 -1.401
59 HB2 ARG 10 HB2 ARG 10 -16.155 6.937 -1.697
60 HB3 ARG 10 HB3 ARG 10 -15.793 8.077 -0.409
61 HG2 ARG 10 HG2 ARG 10 -15.422 9.289 -2.354
62 HG3 ARG 10 HG3 ARG 10 -13.806 8.791 -1.855
63 HD2 ARG 10 HD2 ARG 10 -13.894 8.407 -4.172
64 HD3 ARG 10 HD3 ARG 10 -14.087 6.820 -3.429
65 HE ARG 10 HE ARG 10 -16.332 6.793 -4.103
66 HH11 ARG 10 HH11 ARG 10 -14.701 9.740 -5.057
67 HH12 ARG 10 HH12 ARG 10 -15.957 10.235 -6.157
68 HH21 ARG 10 HH21 ARG 10 -17.991 7.430 -5.549
69 HH22 ARG 10 HH22 ARG 10 -17.826 8.919 -6.441
70 H ARG 11 H ARG 11 -14.312 7.788 1.536
71 HA ARG 11 HA ARG 11 -12.072 9.424 1.247
72 HB2 ARG 11 HB2 ARG 11 -14.023 9.014 3.170
73 HB3 ARG 11 HB3 ARG 11 -12.551 8.520 3.994
74 HG2 ARG 11 HG2 ARG 11 -12.819 10.787 4.499
75 HG3 ARG 11 HG3 ARG 11 -11.573 10.739 3.250
76 HD2 ARG 11 HD2 ARG 11 -13.343 11.204 1.563
77 HD3 ARG 11 HD3 ARG 11 -14.489 11.415 2.889
78 HE ARG 11 HE ARG 11 -12.061 13.077 2.642
79 HH11 ARG 11 HH11 ARG 11 -15.541 12.762 3.045
80 HH12 ARG 11 HH12 ARG 11 -15.778 14.469 3.322
81 HH21 ARG 11 HH21 ARG 11 -12.397 15.310 2.962
82 HH22 ARG 11 HH22 ARG 11 -13.996 15.909 3.256
83 H LYS 12 H LYS 12 -12.401 6.297 2.887
84 HA LYS 12 HA LYS 12 -9.726 6.119 3.726
85 HB2 LYS 12 HB2 LYS 12 -11.475 4.787 4.769
86 HB3 LYS 12 HB3 LYS 12 -11.749 3.923 3.263
87 HG2 LYS 12 HG2 LYS 12 -9.543 2.939 3.383
88 HG3 LYS 12 HG3 LYS 12 -9.182 3.869 4.837
89 HD2 LYS 12 HD2 LYS 12 -11.410 1.850 4.610
90 HD3 LYS 12 HD3 LYS 12 -9.818 1.509 5.289
91 HE2 LYS 12 HE2 LYS 12 -10.175 3.221 6.997
92 HE3 LYS 12 HE3 LYS 12 -11.762 3.577 6.313
93 HZ1 LYS 12 HZ1 LYS 12 -10.946 0.948 7.433
94 HZ2 LYS 12 HZ2 LYS 12 -12.489 1.363 6.857
95 HZ3 LYS 12 HZ3 LYS 12 -11.877 2.108 8.252
96 H ILE 13 H ILE 13 -11.346 4.677 0.870
97 HA ILE 13 HA ILE 13 -9.069 3.234 0.047
98 HB ILE 13 HB ILE 13 -10.115 3.018 -2.162
99 HG12 ILE 13 HG12 ILE 13 -12.271 4.840 -1.065
100 HG13 ILE 13 HG13 ILE 13 -11.095 5.293 -2.293
101 HG21 ILE 13 HG21 ILE 13 -12.018 2.624 0.140
102 HG22 ILE 13 HG22 ILE 13 -10.745 1.513 -0.365
103 HG23 ILE 13 HG23 ILE 13 -12.115 1.826 -1.431
104 HD11 ILE 13 HD11 ILE 13 -13.224 4.754 -3.302
105 HD12 ILE 13 HD12 ILE 13 -13.194 3.154 -2.558
106 HD13 ILE 13 HD13 ILE 13 -11.999 3.580 -3.782
107 H ARG 14 H ARG 14 -10.120 6.533 -0.693
108 HA ARG 14 HA ARG 14 -8.072 6.958 -2.641
109 HB2 ARG 14 HB2 ARG 14 -10.156 8.326 -2.505
110 HB3 ARG 14 HB3 ARG 14 -9.547 9.041 -1.017
111 HG2 ARG 14 HG2 ARG 14 -7.649 9.964 -2.219
112 HG3 ARG 14 HG3 ARG 14 -8.211 9.213 -3.710
113 HD2 ARG 14 HD2 ARG 14 -8.820 11.547 -3.690
114 HD3 ARG 14 HD3 ARG 14 -10.270 10.552 -3.581
115 HE ARG 14 HE ARG 14 -10.388 11.107 -1.226
116 HH11 ARG 14 HH11 ARG 14 -8.250 13.052 -3.205
117 HH12 ARG 14 HH12 ARG 14 -8.240 14.395 -2.103
118 HH21 ARG 14 HH21 ARG 14 -10.375 12.880 0.223
119 HH22 ARG 14 HH22 ARG 14 -9.447 14.296 -0.158
120 H SER 15 H SER 15 -8.365 7.489 0.827
121 HA SER 15 HA SER 15 -5.891 8.817 1.178
122 HB2 SER 15 HB2 SER 15 -7.849 8.670 2.826
123 HB3 SER 15 HB3 SER 15 -7.248 7.065 3.235
124 HG SER 15 HG SER 15 -5.293 8.007 3.908
125 H LEU 16 H LEU 16 -6.848 5.418 1.183
126 HA LEU 16 HA LEU 16 -4.325 4.364 1.909
127 HB2 LEU 16 HB2 LEU 16 -6.597 3.141 0.345
128 HB3 LEU 16 HB3 LEU 16 -5.184 2.252 0.877
129 HG LEU 16 HG LEU 16 -7.222 3.566 2.673
130 HD11 LEU 16 HD11 LEU 16 -8.036 1.547 1.560
131 HD12 LEU 16 HD12 LEU 16 -7.811 1.288 3.291
132 HD13 LEU 16 HD13 LEU 16 -6.627 0.660 2.144
133 HD21 LEU 16 HD21 LEU 16 -6.006 2.492 4.501
134 HD22 LEU 16 HD22 LEU 16 -4.987 3.651 3.646
135 HD23 LEU 16 HD23 LEU 16 -4.789 1.921 3.360
136 H GLN 17 H GLN 17 -5.806 5.141 -1.213
137 HA GLN 17 HA GLN 17 -3.753 4.177 -2.866
138 HB2 GLN 17 HB2 GLN 17 -5.706 6.449 -3.219
139 HB3 GLN 17 HB3 GLN 17 -4.577 5.960 -4.479
140 HG2 GLN 17 HG2 GLN 17 -5.577 3.832 -4.684
141 HG3 GLN 17 HG3 GLN 17 -6.516 4.053 -3.209
142 HE21 GLN 17 HE21 GLN 17 -8.444 3.638 -4.266
143 HE22 GLN 17 HE22 GLN 17 -9.169 4.772 -5.352
144 H GLU 18 H GLU 18 -4.215 7.360 -1.367
145 HA GLU 18 HA GLU 18 -1.849 8.586 -2.192
146 HB2 GLU 18 HB2 GLU 18 -3.524 9.880 -1.063
147 HB3 GLU 18 HB3 GLU 18 -3.454 8.848 0.357
148 HG2 GLU 18 HG2 GLU 18 -2.369 10.936 0.824
149 HG3 GLU 18 HG3 GLU 18 -1.171 9.648 0.806
150 H GLN 19 H GLN 19 -2.498 6.751 0.779
151 HA GLN 19 HA GLN 19 0.070 6.817 1.842
152 HB2 GLN 19 HB2 GLN 19 -1.913 6.131 3.108
153 HB3 GLN 19 HB3 GLN 19 -2.046 4.679 2.131
154 HG2 GLN 19 HG2 GLN 19 -1.080 4.193 4.300
155 HG3 GLN 19 HG3 GLN 19 0.074 3.876 3.004
156 HE21 GLN 19 HE21 GLN 19 1.902 5.133 2.820
157 HE22 GLN 19 HE22 GLN 19 2.434 6.196 4.079
158 H ASN 20 H ASN 20 -1.386 4.479 -0.394
159 HA ASN 20 HA ASN 20 0.829 2.692 -0.346
160 HB2 ASN 20 HB2 ASN 20 -1.579 2.983 -2.106
161 HB3 ASN 20 HB3 ASN 20 -0.267 1.917 -2.599
162 HD21 ASN 20 HD21 ASN 20 -1.002 2.435 0.747
163 HD22 ASN 20 HD22 ASN 20 -1.658 0.868 1.055
164 H TYR 21 H TYR 21 -0.241 5.014 -2.848
165 HA TYR 21 HA TYR 21 1.946 4.692 -4.555
166 HB2 TYR 21 HB2 TYR 21 -0.136 5.923 -5.126
167 HB3 TYR 21 HB3 TYR 21 0.361 7.226 -4.057
168 HD1 TYR 21 HD1 TYR 21 1.178 5.460 -7.200
169 HD2 TYR 21 HD2 TYR 21 1.910 8.888 -4.784
170 HE1 TYR 21 HE1 TYR 21 2.367 6.519 -9.071
171 HE2 TYR 21 HE2 TYR 21 3.102 9.954 -6.652
172 HH TYR 21 HH TYR 21 2.942 8.803 -9.827
173 H HIS 22 H HIS 22 1.464 6.904 -1.852
174 HA HIS 22 HA HIS 22 3.880 8.321 -2.025
175 HB2 HIS 22 HB2 HIS 22 1.711 8.576 -0.501
176 HB3 HIS 22 HB3 HIS 22 2.707 7.686 0.643
177 HD1 HIS 22 HD1 HIS 22 1.846 10.989 -0.220
178 HD2 HIS 22 HD2 HIS 22 5.395 9.109 0.883
179 HE1 HIS 22 HE1 HIS 22 3.375 12.822 0.584
180 HE2 HIS 22 HE2 HIS 22 5.407 11.627 1.467
181 H LEU 23 H LEU 23 3.019 5.323 -0.354
182 HA LEU 23 HA LEU 23 5.540 5.091 0.969
183 HB2 LEU 23 HB2 LEU 23 3.442 4.155 1.875
184 HB3 LEU 23 HB3 LEU 23 3.403 3.005 0.553
185 HG LEU 23 HG LEU 23 5.456 1.963 1.364
186 HD11 LEU 23 HD11 LEU 23 5.310 4.020 3.563
187 HD12 LEU 23 HD12 LEU 23 6.546 3.909 2.310
188 HD13 LEU 23 HD13 LEU 23 6.408 2.641 3.528
189 HD21 LEU 23 HD21 LEU 23 4.576 1.033 3.457
190 HD22 LEU 23 HD22 LEU 23 3.330 1.136 2.211
191 HD23 LEU 23 HD23 LEU 23 3.374 2.320 3.519
192 H GLU 24 H GLU 24 4.123 3.673 -1.964
193 HA GLU 24 HA GLU 24 6.151 1.823 -2.512
194 HB2 GLU 24 HB2 GLU 24 4.445 3.423 -4.432
195 HB3 GLU 24 HB3 GLU 24 5.486 2.092 -4.917
196 HG2 GLU 24 HG2 GLU 24 4.203 0.577 -3.480
197 HG3 GLU 24 HG3 GLU 24 3.146 1.915 -3.029
198 H ASN 25 H ASN 25 5.845 5.214 -3.538
199 HA ASN 25 HA ASN 25 8.380 5.410 -4.751
200 HB2 ASN 25 HB2 ASN 25 6.555 7.461 -3.502
201 HB3 ASN 25 HB3 ASN 25 8.108 7.909 -4.195
202 HD21 ASN 25 HD21 ASN 25 7.110 9.195 -5.734
203 HD22 ASN 25 HD22 ASN 25 6.273 8.528 -7.093
204 H GLU 26 H GLU 26 7.302 6.021 -1.442
205 HA GLU 26 HA GLU 26 9.693 7.062 -0.432
206 HB2 GLU 26 HB2 GLU 26 7.534 7.253 0.721
207 HB3 GLU 26 HB3 GLU 26 7.531 5.520 1.014
208 HG2 GLU 26 HG2 GLU 26 9.386 5.688 2.497
209 HG3 GLU 26 HG3 GLU 26 9.649 7.377 2.064
210 H VAL 27 H VAL 27 8.429 3.725 -0.155
211 HA VAL 27 HA VAL 27 10.688 2.738 1.197
212 HB VAL 27 HB VAL 27 8.496 1.576 1.176
213 HG11 VAL 27 HG11 VAL 27 9.269 0.733 -1.611
214 HG12 VAL 27 HG12 VAL 27 7.925 1.789 -1.175
215 HG13 VAL 27 HG13 VAL 27 7.914 0.096 -0.680
216 HG21 VAL 27 HG21 VAL 27 10.511 0.417 1.908
217 HG22 VAL 27 HG22 VAL 27 10.813 -0.116 0.254
218 HG23 VAL 27 HG23 VAL 27 9.388 -0.691 1.120
219 H ALA 28 H ALA 28 9.943 2.987 -2.253
220 HA ALA 28 HA ALA 28 12.055 1.441 -3.247
221 HB1 ALA 28 HB1 ALA 28 10.833 3.917 -4.466
222 HB2 ALA 28 HB2 ALA 28 10.220 2.271 -4.642
223 HB3 ALA 28 HB3 ALA 28 11.792 2.705 -5.315
224 H ARG 29 H ARG 29 11.906 4.904 -2.482
225 HA ARG 29 HA ARG 29 14.641 5.335 -3.225
226 HB2 ARG 29 HB2 ARG 29 12.663 7.094 -1.771
227 HB3 ARG 29 HB3 ARG 29 14.250 7.617 -2.327
228 HG2 ARG 29 HG2 ARG 29 13.652 7.267 -4.609
229 HG3 ARG 29 HG3 ARG 29 12.139 6.490 -4.144
230 HD2 ARG 29 HD2 ARG 29 11.371 8.611 -3.169
231 HD3 ARG 29 HD3 ARG 29 12.875 9.378 -3.690
232 HE ARG 29 HE ARG 29 12.021 8.462 -6.012
233 HH11 ARG 29 HH11 ARG 29 10.132 9.942 -3.465
234 HH12 ARG 29 HH12 ARG 29 8.992 10.665 -4.566
235 HH21 ARG 29 HH21 ARG 29 10.538 9.371 -7.451
236 HH22 ARG 29 HH22 ARG 29 9.230 10.349 -6.851
237 H LEU 30 H LEU 30 12.949 4.567 -0.282
238 HA LEU 30 HA LEU 30 15.012 5.164 1.545
239 HB2 LEU 30 HB2 LEU 30 12.498 3.694 1.567
240 HB3 LEU 30 HB3 LEU 30 13.713 2.941 2.581
241 HG LEU 30 HG LEU 30 13.993 5.043 3.819
242 HD11 LEU 30 HD11 LEU 30 12.409 6.884 3.478
243 HD12 LEU 30 HD12 LEU 30 11.761 6.057 2.061
244 HD13 LEU 30 HD13 LEU 30 13.430 6.625 2.066
245 HD21 LEU 30 HD21 LEU 30 12.421 3.410 4.652
246 HD22 LEU 30 HD22 LEU 30 11.151 4.064 3.619
247 HD23 LEU 30 HD23 LEU 30 11.802 5.036 4.939
248 H LYS 31 H LYS 31 14.150 2.053 -0.024
249 HA LYS 31 HA LYS 31 16.493 0.770 0.977
250 HB2 LYS 31 HB2 LYS 31 15.917 -1.081 -0.560
251 HB3 LYS 31 HB3 LYS 31 14.587 -0.599 0.474
252 HG2 LYS 31 HG2 LYS 31 13.537 -0.913 -1.538
253 HG3 LYS 31 HG3 LYS 31 13.855 0.819 -1.579
254 HD2 LYS 31 HD2 LYS 31 15.773 0.480 -3.002
255 HD3 LYS 31 HD3 LYS 31 15.612 -1.273 -2.859
256 HE2 LYS 31 HE2 LYS 31 13.430 -1.159 -3.961
257 HE3 LYS 31 HE3 LYS 31 13.592 0.591 -4.105
258 HZ1 LYS 31 HZ1 LYS 31 15.519 -1.321 -5.304
259 HZ2 LYS 31 HZ2 LYS 31 15.384 0.347 -5.607
260 HZ3 LYS 31 HZ3 LYS 31 14.169 -0.713 -6.136
261 H LYS 32 H LYS 32 15.829 2.750 -1.752
262 HA LYS 32 HA LYS 32 18.102 2.141 -3.309
263 HB2 LYS 32 HB2 LYS 32 16.267 3.515 -4.161
264 HB3 LYS 32 HB3 LYS 32 16.601 4.749 -2.955
265 HG2 LYS 32 HG2 LYS 32 17.467 5.473 -5.057
266 HG3 LYS 32 HG3 LYS 32 18.826 5.089 -3.998
267 HD2 LYS 32 HD2 LYS 32 19.076 2.926 -5.084
268 HD3 LYS 32 HD3 LYS 32 17.690 3.275 -6.118
269 HE2 LYS 32 HE2 LYS 32 18.904 5.211 -7.043
270 HE3 LYS 32 HE3 LYS 32 20.297 4.790 -6.048
271 HZ1 LYS 32 HZ1 LYS 32 20.408 2.656 -7.200
272 HZ2 LYS 32 HZ2 LYS 32 20.571 3.957 -8.278
273 HZ3 LYS 32 HZ3 LYS 32 19.105 3.113 -8.185
274 H LEU 33 H LEU 33 17.551 4.362 -0.618
275 HA LEU 33 HA LEU 33 20.156 5.521 -0.719
276 HB2 LEU 33 HB2 LEU 33 17.989 6.535 0.203
277 HB3 LEU 33 HB3 LEU 33 18.269 5.566 1.632
278 HG LEU 33 HG LEU 33 18.979 7.970 1.796
279 HD11 LEU 33 HD11 LEU 33 19.857 6.285 3.325
280 HD12 LEU 33 HD12 LEU 33 21.070 7.511 2.951
281 HD13 LEU 33 HD13 LEU 33 21.154 5.923 2.188
282 HD21 LEU 33 HD21 LEU 33 21.079 8.622 0.748
283 HD22 LEU 33 HD22 LEU 33 19.857 8.226 -0.460
284 HD23 LEU 33 HD23 LEU 33 21.144 7.076 -0.098
285 H VAL 34 H VAL 34 18.583 3.222 1.514
286 HA VAL 34 HA VAL 34 20.971 2.873 3.043
287 HB VAL 34 HB VAL 34 18.700 2.585 4.007
288 HG11 VAL 34 HG11 VAL 34 17.619 1.418 2.173
289 HG12 VAL 34 HG12 VAL 34 17.494 0.482 3.664
290 HG13 VAL 34 HG13 VAL 34 18.663 0.019 2.429
291 HG21 VAL 34 HG21 VAL 34 20.512 0.188 4.248
292 HG22 VAL 34 HG22 VAL 34 19.230 0.620 5.379
293 HG23 VAL 34 HG23 VAL 34 20.623 1.683 5.176
294 H GLY 35 H GLY 35 19.592 1.276 0.273
295 HA2 GLY 35 HA2 GLY 35 21.281 -1.066 0.548
296 HA3 GLY 35 HA3 GLY 35 20.144 -0.745 -0.753
297 H GLU 36 H GLU 36 21.100 1.789 -1.542
298 HA GLU 36 HA GLU 36 22.589 2.749 -2.959
299 HB2 GLU 36 HB2 GLU 36 24.542 1.075 -1.375
300 HB3 GLU 36 HB3 GLU 36 25.028 2.238 -2.601
301 HG2 GLU 36 HG2 GLU 36 24.030 4.036 -1.333
302 HG3 GLU 36 HG3 GLU 36 23.456 2.887 -0.123
303 H ARG 37 H ARG 37 24.757 1.888 -4.341
304 HA ARG 37 HA ARG 37 23.728 -0.362 -5.904
305 HB2 ARG 37 HB2 ARG 37 24.500 1.804 -7.016
306 HB3 ARG 37 HB3 ARG 37 26.137 1.341 -6.564
307 HG2 ARG 37 HG2 ARG 37 25.447 -0.909 -7.768
308 HG3 ARG 37 HG3 ARG 37 24.320 0.166 -8.595
309 HD2 ARG 37 HD2 ARG 37 26.290 0.070 -9.917
310 HD3 ARG 37 HD3 ARG 37 26.275 1.645 -9.123
311 HE ARG 37 HE ARG 37 27.729 0.124 -7.427
312 HH11 ARG 37 HH11 ARG 37 27.943 0.719 -10.869
313 HH12 ARG 37 HH12 ARG 37 29.664 0.480 -10.927
314 HH21 ARG 37 HH21 ARG 37 29.970 -0.185 -7.491
315 HH22 ARG 37 HH22 ARG 37 30.827 -0.037 -9.001
316 HA2 GLY 0 HA2 GLY 0 -26.382 1.186 -4.943
317 HA3 GLY 0 HA3 GLY 0 -27.638 0.350 -5.847
318 H ALA 1 H ALA 1 -27.198 -1.111 -3.881
319 HA ALA 1 HA ALA 1 -24.773 -2.644 -3.915
320 HB1 ALA 1 HB1 ALA 1 -25.802 -3.938 -2.120
321 HB2 ALA 1 HB2 ALA 1 -27.343 -3.128 -2.410
322 HB3 ALA 1 HB3 ALA 1 -25.956 -2.205 -1.829
323 H GLY 2 H GLY 2 -24.325 -4.381 -5.037
324 HA2 GLY 2 HA2 GLY 2 -26.350 -6.306 -5.765
325 HA3 GLY 2 HA3 GLY 2 -25.645 -5.446 -7.133
326 H SER 3 H SER 3 -25.263 -8.077 -7.180
327 HA SER 3 HA SER 3 -23.153 -9.156 -5.707
328 HB2 SER 3 HB2 SER 3 -23.881 -9.840 -8.567
329 HB3 SER 3 HB3 SER 3 -23.058 -10.881 -7.404
330 HG SER 3 HG SER 3 -24.970 -11.525 -6.874
331 H SER 4 H SER 4 -23.133 -7.420 -8.787
332 HA SER 4 HA SER 4 -20.442 -7.786 -9.423
333 HB2 SER 4 HB2 SER 4 -20.847 -5.691 -10.837
334 HB3 SER 4 HB3 SER 4 -21.897 -7.074 -11.148
335 HG SER 4 HG SER 4 -22.706 -4.693 -10.669
336 H SER 5 H SER 5 -22.095 -5.421 -7.445
337 HA SER 5 HA SER 5 -19.772 -3.749 -7.184
338 HB2 SER 5 HB2 SER 5 -22.084 -2.816 -7.204
339 HB3 SER 5 HB3 SER 5 -22.406 -3.655 -5.688
340 HG SER 5 HG SER 5 -20.508 -1.596 -6.148
341 H LEU 6 H LEU 6 -21.749 -5.728 -4.970
342 HA LEU 6 HA LEU 6 -20.333 -5.146 -2.664
343 HB2 LEU 6 HB2 LEU 6 -22.584 -6.144 -2.740
344 HB3 LEU 6 HB3 LEU 6 -21.890 -7.644 -3.320
345 HG LEU 6 HG LEU 6 -20.640 -7.859 -1.188
346 HD11 LEU 6 HD11 LEU 6 -22.252 -5.440 -0.387
347 HD12 LEU 6 HD12 LEU 6 -20.500 -5.523 -0.569
348 HD13 LEU 6 HD13 LEU 6 -21.298 -6.444 0.706
349 HD21 LEU 6 HD21 LEU 6 -22.602 -8.424 0.193
350 HD22 LEU 6 HD22 LEU 6 -22.744 -9.015 -1.463
351 HD23 LEU 6 HD23 LEU 6 -23.635 -7.577 -0.960
352 H GLU 7 H GLU 7 -20.023 -8.008 -4.787
353 HA GLU 7 HA GLU 7 -18.083 -9.208 -3.118
354 HB2 GLU 7 HB2 GLU 7 -19.610 -10.425 -4.692
355 HB3 GLU 7 HB3 GLU 7 -18.640 -9.814 -6.026
356 HG2 GLU 7 HG2 GLU 7 -16.747 -11.046 -5.343
357 HG3 GLU 7 HG3 GLU 7 -17.469 -11.430 -3.782
358 H ALA 8 H ALA 8 -17.921 -7.049 -5.870
359 HA ALA 8 HA ALA 8 -15.161 -7.388 -6.393
360 HB1 ALA 8 HB1 ALA 8 -16.674 -6.405 -8.047
361 HB2 ALA 8 HB2 ALA 8 -15.335 -5.318 -7.675
362 HB3 ALA 8 HB3 ALA 8 -16.930 -5.019 -6.988
363 H VAL 9 H VAL 9 -16.989 -4.901 -4.624
364 HA VAL 9 HA VAL 9 -14.811 -3.433 -3.701
365 HB VAL 9 HB VAL 9 -17.508 -3.831 -2.380
366 HG11 VAL 9 HG11 VAL 9 -15.432 -1.695 -1.904
367 HG12 VAL 9 HG12 VAL 9 -15.873 -2.982 -0.782
368 HG13 VAL 9 HG13 VAL 9 -17.049 -1.737 -1.202
369 HG21 VAL 9 HG21 VAL 9 -17.679 -2.921 -4.630
370 HG22 VAL 9 HG22 VAL 9 -16.508 -1.663 -4.225
371 HG23 VAL 9 HG23 VAL 9 -18.083 -1.694 -3.429
372 H ARG 10 H ARG 10 -16.586 -6.106 -2.196
373 HA ARG 10 HA ARG 10 -15.306 -6.361 0.212
374 HB2 ARG 10 HB2 ARG 10 -17.236 -7.720 -0.583
375 HB3 ARG 10 HB3 ARG 10 -16.148 -8.611 -1.634
376 HG2 ARG 10 HG2 ARG 10 -16.567 -9.936 0.295
377 HG3 ARG 10 HG3 ARG 10 -14.905 -9.351 0.390
378 HD2 ARG 10 HD2 ARG 10 -15.488 -7.706 2.004
379 HD3 ARG 10 HD3 ARG 10 -17.211 -7.990 1.759
380 HE ARG 10 HE ARG 10 -15.555 -10.184 2.783
381 HH11 ARG 10 HH11 ARG 10 -18.053 -7.786 3.281
382 HH12 ARG 10 HH12 ARG 10 -18.602 -8.470 4.783
383 HH21 ARG 10 HH21 ARG 10 -16.268 -11.097 4.769
384 HH22 ARG 10 HH22 ARG 10 -17.570 -10.342 5.640
385 H ARG 11 H ARG 11 -14.414 -7.929 -2.837
386 HA ARG 11 HA ARG 11 -12.113 -9.222 -1.968
387 HB2 ARG 11 HB2 ARG 11 -13.378 -9.601 -4.109
388 HB3 ARG 11 HB3 ARG 11 -12.661 -8.123 -4.729
389 HG2 ARG 11 HG2 ARG 11 -11.376 -9.865 -5.612
390 HG3 ARG 11 HG3 ARG 11 -10.412 -9.198 -4.293
391 HD2 ARG 11 HD2 ARG 11 -11.106 -11.003 -2.833
392 HD3 ARG 11 HD3 ARG 11 -12.174 -11.640 -4.083
393 HE ARG 11 HE ARG 11 -9.288 -11.443 -4.589
394 HH11 ARG 11 HH11 ARG 11 -12.175 -13.406 -4.160
395 HH12 ARG 11 HH12 ARG 11 -11.415 -14.857 -4.757
396 HH21 ARG 11 HH21 ARG 11 -8.313 -13.349 -5.364
397 HH22 ARG 11 HH22 ARG 11 -9.230 -14.823 -5.421
398 H LYS 12 H LYS 12 -12.580 -6.019 -3.390
399 HA LYS 12 HA LYS 12 -9.839 -5.481 -3.782
400 HB2 LYS 12 HB2 LYS 12 -11.650 -4.392 -5.063
401 HB3 LYS 12 HB3 LYS 12 -12.160 -3.553 -3.606
402 HG2 LYS 12 HG2 LYS 12 -10.849 -2.109 -5.068
403 HG3 LYS 12 HG3 LYS 12 -10.041 -2.367 -3.520
404 HD2 LYS 12 HD2 LYS 12 -8.591 -4.037 -4.541
405 HD3 LYS 12 HD3 LYS 12 -9.417 -3.832 -6.086
406 HE2 LYS 12 HE2 LYS 12 -7.950 -1.635 -4.633
407 HE3 LYS 12 HE3 LYS 12 -7.250 -2.616 -5.921
408 HZ1 LYS 12 HZ1 LYS 12 -8.851 -1.771 -7.457
409 HZ2 LYS 12 HZ2 LYS 12 -8.127 -0.451 -6.680
410 HZ3 LYS 12 HZ3 LYS 12 -9.689 -0.944 -6.235
411 H ILE 13 H ILE 13 -12.150 -4.184 -1.363
412 HA ILE 13 HA ILE 13 -10.236 -2.542 -0.136
413 HB ILE 13 HB ILE 13 -11.817 -2.328 1.734
414 HG12 ILE 13 HG12 ILE 13 -13.476 -4.379 0.247
415 HG13 ILE 13 HG13 ILE 13 -12.636 -4.667 1.767
416 HG21 ILE 13 HG21 ILE 13 -12.108 -0.925 -0.206
417 HG22 ILE 13 HG22 ILE 13 -13.688 -1.384 0.429
418 HG23 ILE 13 HG23 ILE 13 -13.052 -2.178 -1.011
419 HD11 ILE 13 HD11 ILE 13 -14.842 -2.662 1.363
420 HD12 ILE 13 HD12 ILE 13 -14.046 -3.057 2.887
421 HD13 ILE 13 HD13 ILE 13 -15.034 -4.267 2.066
422 H ARG 14 H ARG 14 -11.187 -5.866 0.453
423 HA ARG 14 HA ARG 14 -9.953 -6.191 2.949
424 HB2 ARG 14 HB2 ARG 14 -11.612 -7.751 1.796
425 HB3 ARG 14 HB3 ARG 14 -10.260 -8.329 0.835
426 HG2 ARG 14 HG2 ARG 14 -10.169 -8.386 3.828
427 HG3 ARG 14 HG3 ARG 14 -10.963 -9.663 2.911
428 HD2 ARG 14 HD2 ARG 14 -8.901 -10.148 1.742
429 HD3 ARG 14 HD3 ARG 14 -8.098 -8.800 2.545
430 HE ARG 14 HE ARG 14 -8.982 -10.339 4.603
431 HH11 ARG 14 HH11 ARG 14 -7.031 -10.967 1.767
432 HH12 ARG 14 HH12 ARG 14 -6.105 -12.230 2.521
433 HH21 ARG 14 HH21 ARG 14 -7.752 -11.970 5.607
434 HH22 ARG 14 HH22 ARG 14 -6.504 -12.783 4.712
435 H SER 15 H SER 15 -8.811 -6.716 -0.360
436 HA SER 15 HA SER 15 -6.276 -7.703 0.288
437 HB2 SER 15 HB2 SER 15 -7.113 -6.160 -2.181
438 HB3 SER 15 HB3 SER 15 -5.710 -7.219 -2.035
439 HG SER 15 HG SER 15 -8.433 -7.863 -2.196
440 H LEU 16 H LEU 16 -7.469 -4.433 -0.325
441 HA LEU 16 HA LEU 16 -5.055 -3.067 -0.306
442 HB2 LEU 16 HB2 LEU 16 -7.765 -2.143 0.656
443 HB3 LEU 16 HB3 LEU 16 -6.396 -1.090 0.357
444 HG LEU 16 HG LEU 16 -7.785 -2.763 -1.741
445 HD11 LEU 16 HD11 LEU 16 -9.202 -0.944 -0.965
446 HD12 LEU 16 HD12 LEU 16 -8.604 -0.612 -2.591
447 HD13 LEU 16 HD13 LEU 16 -7.885 0.203 -1.203
448 HD21 LEU 16 HD21 LEU 16 -5.621 -0.676 -2.003
449 HD22 LEU 16 HD22 LEU 16 -6.421 -1.513 -3.333
450 HD23 LEU 16 HD23 LEU 16 -5.406 -2.412 -2.205
451 H GLN 17 H GLN 17 -7.244 -3.826 2.376
452 HA GLN 17 HA GLN 17 -5.780 -2.531 4.379
453 HB2 GLN 17 HB2 GLN 17 -7.695 -4.862 4.519
454 HB3 GLN 17 HB3 GLN 17 -7.058 -4.031 5.930
455 HG2 GLN 17 HG2 GLN 17 -8.108 -1.972 5.244
456 HG3 GLN 17 HG3 GLN 17 -8.672 -2.727 3.753
457 HE21 GLN 17 HE21 GLN 17 -10.820 -2.292 4.250
458 HE22 GLN 17 HE22 GLN 17 -11.679 -3.155 5.478
459 H GLU 18 H GLU 18 -5.794 -5.902 3.290
460 HA GLU 18 HA GLU 18 -4.010 -6.986 5.110
461 HB2 GLU 18 HB2 GLU 18 -5.407 -7.903 2.944
462 HB3 GLU 18 HB3 GLU 18 -3.761 -7.952 2.332
463 HG2 GLU 18 HG2 GLU 18 -4.710 -9.283 4.859
464 HG3 GLU 18 HG3 GLU 18 -4.500 -10.085 3.306
465 H GLN 19 H GLN 19 -3.359 -5.635 1.887
466 HA GLN 19 HA GLN 19 -0.591 -5.962 1.932
467 HB2 GLN 19 HB2 GLN 19 -1.847 -5.532 -0.122
468 HB3 GLN 19 HB3 GLN 19 -2.245 -3.917 0.444
469 HG2 GLN 19 HG2 GLN 19 -0.448 -3.852 -1.182
470 HG3 GLN 19 HG3 GLN 19 0.109 -3.304 0.396
471 HE21 GLN 19 HE21 GLN 19 0.338 -5.774 -2.021
472 HE22 GLN 19 HE22 GLN 19 1.711 -6.588 -1.348
473 H ASN 20 H ASN 20 -2.608 -3.184 2.851
474 HA ASN 20 HA ASN 20 -0.562 -1.373 3.348
475 HB2 ASN 20 HB2 ASN 20 -3.391 -1.621 4.217
476 HB3 ASN 20 HB3 ASN 20 -2.360 -0.548 5.158
477 HD21 ASN 20 HD21 ASN 20 -3.886 -1.103 2.094
478 HD22 ASN 20 HD22 ASN 20 -3.589 0.471 1.436
479 H TYR 21 H TYR 21 -2.114 -3.689 5.551
480 HA TYR 21 HA TYR 21 -0.707 -2.944 7.852
481 HB2 TYR 21 HB2 TYR 21 -2.756 -4.386 7.788
482 HB3 TYR 21 HB3 TYR 21 -1.763 -5.695 7.161
483 HD1 TYR 21 HD1 TYR 21 -2.201 -3.455 10.091
484 HD2 TYR 21 HD2 TYR 21 -0.577 -7.101 8.618
485 HE1 TYR 21 HE1 TYR 21 -1.660 -4.137 12.388
486 HE2 TYR 21 HE2 TYR 21 -0.037 -7.795 10.914
487 HH TYR 21 HH TYR 21 0.380 -6.773 13.100
488 H HIS 22 H HIS 22 -0.024 -5.297 5.311
489 HA HIS 22 HA HIS 22 2.350 -6.344 6.384
490 HB2 HIS 22 HB2 HIS 22 1.408 -7.574 4.611
491 HB3 HIS 22 HB3 HIS 22 1.218 -6.146 3.602
492 HD1 HIS 22 HD1 HIS 22 2.744 -6.202 1.688
493 HD2 HIS 22 HD2 HIS 22 4.454 -7.955 5.052
494 HE1 HIS 22 HE1 HIS 22 5.051 -6.909 0.988
495 HE2 HIS 22 HE2 HIS 22 6.144 -7.748 3.097
496 H LEU 23 H LEU 23 1.774 -3.706 4.084
497 HA LEU 23 HA LEU 23 4.380 -3.044 3.501
498 HB2 LEU 23 HB2 LEU 23 1.931 -1.301 3.696
499 HB3 LEU 23 HB3 LEU 23 3.467 -0.735 3.068
500 HG LEU 23 HG LEU 23 1.819 -2.975 1.892
501 HD11 LEU 23 HD11 LEU 23 1.387 -1.405 0.071
502 HD12 LEU 23 HD12 LEU 23 2.266 -0.150 0.943
503 HD13 LEU 23 HD13 LEU 23 0.765 -0.795 1.606
504 HD21 LEU 23 HD21 LEU 23 4.312 -1.627 0.858
505 HD22 LEU 23 HD22 LEU 23 3.394 -2.896 0.046
506 HD23 LEU 23 HD23 LEU 23 4.238 -3.245 1.554
507 H GLU 24 H GLU 24 2.319 -1.687 6.066
508 HA GLU 24 HA GLU 24 4.017 0.251 7.009
509 HB2 GLU 24 HB2 GLU 24 2.121 -1.457 8.626
510 HB3 GLU 24 HB3 GLU 24 2.817 0.069 9.152
511 HG2 GLU 24 HG2 GLU 24 1.704 1.161 7.212
512 HG3 GLU 24 HG3 GLU 24 0.886 -0.369 6.891
513 H ASN 25 H ASN 25 3.806 -3.125 8.097
514 HA ASN 25 HA ASN 25 5.778 -2.748 10.100
515 HB2 ASN 25 HB2 ASN 25 4.486 -5.225 8.961
516 HB3 ASN 25 HB3 ASN 25 5.710 -5.283 10.225
517 HD21 ASN 25 HD21 ASN 25 2.433 -4.493 9.441
518 HD22 ASN 25 HD22 ASN 25 1.899 -4.236 11.064
519 H GLU 26 H GLU 26 5.826 -3.826 6.763
520 HA GLU 26 HA GLU 26 8.433 -4.959 6.957
521 HB2 GLU 26 HB2 GLU 26 6.779 -5.681 5.252
522 HB3 GLU 26 HB3 GLU 26 6.935 -4.109 4.473
523 HG2 GLU 26 HG2 GLU 26 9.157 -4.527 3.831
524 HG3 GLU 26 HG3 GLU 26 9.296 -5.905 4.923
525 H VAL 27 H VAL 27 7.146 -1.923 5.584
526 HA VAL 27 HA VAL 27 9.670 -0.925 4.838
527 HB VAL 27 HB VAL 27 7.491 -0.064 3.959
528 HG11 VAL 27 HG11 VAL 27 6.251 0.073 6.049
529 HG12 VAL 27 HG12 VAL 27 6.275 1.628 5.217
530 HG13 VAL 27 HG13 VAL 27 7.321 1.358 6.612
531 HG21 VAL 27 HG21 VAL 27 8.187 2.294 3.864
532 HG22 VAL 27 HG22 VAL 27 9.520 1.176 3.565
533 HG23 VAL 27 HG23 VAL 27 9.372 1.976 5.131
534 H ALA 28 H ALA 28 7.943 -1.049 7.836
535 HA ALA 28 HA ALA 28 9.231 0.978 9.250
536 HB1 ALA 28 HB1 ALA 28 8.563 -0.203 11.263
537 HB2 ALA 28 HB2 ALA 28 8.241 -1.664 10.329
538 HB3 ALA 28 HB3 ALA 28 7.246 -0.227 10.090
539 H ARG 29 H ARG 29 10.110 -2.387 8.628
540 HA ARG 29 HA ARG 29 12.242 -2.647 10.361
541 HB2 ARG 29 HB2 ARG 29 11.795 -3.855 7.631
542 HB3 ARG 29 HB3 ARG 29 13.116 -4.330 8.691
543 HG2 ARG 29 HG2 ARG 29 10.198 -4.518 9.412
544 HG3 ARG 29 HG3 ARG 29 11.171 -5.850 8.784
545 HD2 ARG 29 HD2 ARG 29 12.662 -5.683 10.709
546 HD3 ARG 29 HD3 ARG 29 11.723 -4.325 11.327
547 HE ARG 29 HE ARG 29 9.815 -6.043 11.343
548 HH11 ARG 29 HH11 ARG 29 13.180 -6.780 11.987
549 HH12 ARG 29 HH12 ARG 29 12.815 -8.142 13.003
550 HH21 ARG 29 HH21 ARG 29 9.327 -7.794 12.685
551 HH22 ARG 29 HH22 ARG 29 10.608 -8.727 13.397
552 H LEU 30 H LEU 30 12.167 -1.309 7.090
553 HA LEU 30 HA LEU 30 14.920 -1.013 6.730
554 HB2 LEU 30 HB2 LEU 30 12.566 0.481 5.587
555 HB3 LEU 30 HB3 LEU 30 14.215 0.877 5.146
556 HG LEU 30 HG LEU 30 14.469 -1.518 4.363
557 HD11 LEU 30 HD11 LEU 30 12.441 -2.758 3.849
558 HD12 LEU 30 HD12 LEU 30 11.467 -1.512 4.630
559 HD13 LEU 30 HD13 LEU 30 12.587 -2.484 5.585
560 HD21 LEU 30 HD21 LEU 30 14.147 0.358 2.832
561 HD22 LEU 30 HD22 LEU 30 12.398 0.189 2.991
562 HD23 LEU 30 HD23 LEU 30 13.342 -1.100 2.245
563 H LYS 31 H LYS 31 12.549 1.480 7.697
564 HA LYS 31 HA LYS 31 14.586 3.385 8.178
565 HB2 LYS 31 HB2 LYS 31 12.724 4.741 9.178
566 HB3 LYS 31 HB3 LYS 31 12.463 4.221 7.521
567 HG2 LYS 31 HG2 LYS 31 11.041 2.376 8.383
568 HG3 LYS 31 HG3 LYS 31 11.230 3.045 10.005
569 HD2 LYS 31 HD2 LYS 31 10.175 5.109 9.321
570 HD3 LYS 31 HD3 LYS 31 10.094 4.552 7.650
571 HE2 LYS 31 HE2 LYS 31 8.623 2.701 8.388
572 HE3 LYS 31 HE3 LYS 31 8.643 3.374 10.017
573 HZ1 LYS 31 HZ1 LYS 31 6.670 4.037 8.752
574 HZ2 LYS 31 HZ2 LYS 31 7.653 4.795 7.598
575 HZ3 LYS 31 HZ3 LYS 31 7.610 5.379 9.191
576 H LYS 32 H LYS 32 13.048 0.962 10.112
577 HA LYS 32 HA LYS 32 13.809 2.030 12.644
578 HB2 LYS 32 HB2 LYS 32 11.998 0.377 12.330
579 HB3 LYS 32 HB3 LYS 32 13.187 -0.817 11.838
580 HG2 LYS 32 HG2 LYS 32 14.121 -0.901 14.022
581 HG3 LYS 32 HG3 LYS 32 13.164 0.489 14.545
582 HD2 LYS 32 HD2 LYS 32 11.112 -0.786 14.211
583 HD3 LYS 32 HD3 LYS 32 12.053 -2.172 13.662
584 HE2 LYS 32 HE2 LYS 32 12.990 -2.500 15.809
585 HE3 LYS 32 HE3 LYS 32 12.411 -0.935 16.380
586 HZ1 LYS 32 HZ1 LYS 32 10.160 -1.721 16.247
587 HZ2 LYS 32 HZ2 LYS 32 11.063 -2.797 17.201
588 HZ3 LYS 32 HZ3 LYS 32 10.660 -3.209 15.605
589 H LEU 33 H LEU 33 15.215 -0.356 10.433
590 HA LEU 33 HA LEU 33 17.410 -1.026 12.108
591 HB2 LEU 33 HB2 LEU 33 16.562 -2.488 10.317
592 HB3 LEU 33 HB3 LEU 33 17.097 -1.325 9.119
593 HG LEU 33 HG LEU 33 19.441 -1.700 9.850
594 HD11 LEU 33 HD11 LEU 33 18.215 -3.868 11.547
595 HD12 LEU 33 HD12 LEU 33 19.023 -2.413 12.132
596 HD13 LEU 33 HD13 LEU 33 19.938 -3.640 11.257
597 HD21 LEU 33 HD21 LEU 33 17.912 -4.155 8.992
598 HD22 LEU 33 HD22 LEU 33 19.655 -3.934 8.844
599 HD23 LEU 33 HD23 LEU 33 18.554 -2.899 7.934
600 H VAL 34 H VAL 34 16.926 1.371 9.570
601 HA VAL 34 HA VAL 34 19.712 2.149 9.587
602 HB VAL 34 HB VAL 34 18.248 2.318 7.542
603 HG11 VAL 34 HG11 VAL 34 17.108 4.703 8.985
604 HG12 VAL 34 HG12 VAL 34 16.244 3.228 8.551
605 HG13 VAL 34 HG13 VAL 34 16.840 4.304 7.288
606 HG21 VAL 34 HG21 VAL 34 19.234 4.418 6.763
607 HG22 VAL 34 HG22 VAL 34 20.399 3.446 7.664
608 HG23 VAL 34 HG23 VAL 34 19.639 4.842 8.428
609 H GLY 35 H GLY 35 16.870 2.948 11.344
610 HA2 GLY 35 HA2 GLY 35 17.584 5.556 12.200
611 HA3 GLY 35 HA3 GLY 35 16.471 4.469 13.021
612 H GLU 36 H GLU 36 17.877 2.409 13.804
613 HA GLU 36 HA GLU 36 19.361 1.568 15.298
614 HB2 GLU 36 HB2 GLU 36 21.106 3.873 14.403
615 HB3 GLU 36 HB3 GLU 36 21.649 2.482 15.330
616 HG2 GLU 36 HG2 GLU 36 21.129 1.011 13.480
617 HG3 GLU 36 HG3 GLU 36 20.503 2.373 12.550
618 H ARG 37 H ARG 37 21.003 2.477 17.155
619 HA ARG 37 HA ARG 37 20.000 4.889 18.403
620 HB2 ARG 37 HB2 ARG 37 18.541 3.060 19.297
621 HB3 ARG 37 HB3 ARG 37 19.982 2.274 19.932
622 HG2 ARG 37 HG2 ARG 37 20.420 4.169 21.374
623 HG3 ARG 37 HG3 ARG 37 19.045 5.035 20.689
624 HD2 ARG 37 HD2 ARG 37 18.351 4.132 22.774
625 HD3 ARG 37 HD3 ARG 37 17.584 3.179 21.507
626 HE ARG 37 HE ARG 37 19.558 1.590 21.942
627 HH11 ARG 37 HH11 ARG 37 18.059 3.600 24.384
628 HH12 ARG 37 HH12 ARG 37 18.334 2.464 25.669
629 HH21 ARG 37 HH21 ARG 37 19.923 0.089 23.631
630 HH22 ARG 37 HH22 ARG 37 19.402 0.472 25.248
Start of MODEL 4
1 HA2 GLY 0 HA2 GLY 0 -27.681 18.707 5.029
2 HA3 GLY 0 HA3 GLY 0 -28.903 17.442 4.948
3 H ALA 1 H ALA 1 -28.623 16.214 6.686
4 HA ALA 1 HA ALA 1 -25.914 15.639 7.638
5 HB1 ALA 1 HB1 ALA 1 -27.565 16.439 9.268
6 HB2 ALA 1 HB2 ALA 1 -27.000 14.814 9.660
7 HB3 ALA 1 HB3 ALA 1 -28.581 15.043 8.914
8 H GLY 2 H GLY 2 -27.100 14.431 5.209
9 HA2 GLY 2 HA2 GLY 2 -26.795 11.608 6.010
10 HA3 GLY 2 HA3 GLY 2 -28.011 12.106 4.842
11 H SER 3 H SER 3 -26.626 10.320 3.757
12 HA SER 3 HA SER 3 -25.283 9.737 2.031
13 HB2 SER 3 HB2 SER 3 -24.921 12.718 1.621
14 HB3 SER 3 HB3 SER 3 -24.534 11.452 0.455
15 HG SER 3 HG SER 3 -27.127 11.872 1.532
16 H SER 4 H SER 4 -24.296 10.624 4.813
17 HA SER 4 HA SER 4 -21.602 11.453 4.530
18 HB2 SER 4 HB2 SER 4 -22.776 9.915 6.849
19 HB3 SER 4 HB3 SER 4 -21.431 11.057 6.879
20 HG SER 4 HG SER 4 -22.883 12.726 6.417
21 H SER 5 H SER 5 -23.242 8.394 4.524
22 HA SER 5 HA SER 5 -21.059 6.664 4.851
23 HB2 SER 5 HB2 SER 5 -22.602 5.101 3.454
24 HB3 SER 5 HB3 SER 5 -23.180 5.675 5.019
25 HG SER 5 HG SER 5 -24.454 5.897 2.800
26 H LEU 6 H LEU 6 -22.547 8.026 1.928
27 HA LEU 6 HA LEU 6 -20.816 6.849 0.056
28 HB2 LEU 6 HB2 LEU 6 -23.016 8.015 -0.393
29 HB3 LEU 6 HB3 LEU 6 -22.177 9.536 -0.188
30 HG LEU 6 HG LEU 6 -21.322 7.546 -2.280
31 HD11 LEU 6 HD11 LEU 6 -23.379 9.732 -2.551
32 HD12 LEU 6 HD12 LEU 6 -23.679 7.998 -2.653
33 HD13 LEU 6 HD13 LEU 6 -22.699 8.797 -3.881
34 HD21 LEU 6 HD21 LEU 6 -21.017 10.540 -2.049
35 HD22 LEU 6 HD22 LEU 6 -20.437 9.547 -3.386
36 HD23 LEU 6 HD23 LEU 6 -19.750 9.343 -1.774
37 H GLU 7 H GLU 7 -20.719 9.976 1.708
38 HA GLU 7 HA GLU 7 -18.411 11.037 0.574
39 HB2 GLU 7 HB2 GLU 7 -20.126 12.094 2.197
40 HB3 GLU 7 HB3 GLU 7 -19.150 11.394 3.478
41 HG2 GLU 7 HG2 GLU 7 -17.884 13.150 1.422
42 HG3 GLU 7 HG3 GLU 7 -18.791 13.853 2.755
43 H ALA 8 H ALA 8 -18.780 9.033 3.486
44 HA ALA 8 HA ALA 8 -16.075 8.975 4.213
45 HB1 ALA 8 HB1 ALA 8 -18.172 6.892 4.789
46 HB2 ALA 8 HB2 ALA 8 -17.918 8.370 5.717
47 HB3 ALA 8 HB3 ALA 8 -16.661 7.135 5.665
48 H VAL 9 H VAL 9 -17.926 6.835 2.078
49 HA VAL 9 HA VAL 9 -15.926 4.855 1.812
50 HB VAL 9 HB VAL 9 -18.155 5.617 -0.085
51 HG11 VAL 9 HG11 VAL 9 -16.367 4.458 -1.286
52 HG12 VAL 9 HG12 VAL 9 -17.802 3.442 -1.141
53 HG13 VAL 9 HG13 VAL 9 -16.409 3.156 -0.097
54 HG21 VAL 9 HG21 VAL 9 -18.930 4.824 2.082
55 HG22 VAL 9 HG22 VAL 9 -17.918 3.387 1.933
56 HG23 VAL 9 HG23 VAL 9 -19.267 3.636 0.824
57 H ARG 10 H ARG 10 -16.787 7.577 -0.327
58 HA ARG 10 HA ARG 10 -14.701 7.117 -2.183
59 HB2 ARG 10 HB2 ARG 10 -16.857 8.540 -2.402
60 HB3 ARG 10 HB3 ARG 10 -15.918 9.821 -1.656
61 HG2 ARG 10 HG2 ARG 10 -14.915 8.409 -4.093
62 HG3 ARG 10 HG3 ARG 10 -16.093 9.713 -4.219
63 HD2 ARG 10 HD2 ARG 10 -14.550 11.214 -3.054
64 HD3 ARG 10 HD3 ARG 10 -13.374 9.906 -2.925
65 HE ARG 10 HE ARG 10 -13.350 9.915 -5.422
66 HH11 ARG 10 HH11 ARG 10 -14.340 12.773 -3.643
67 HH12 ARG 10 HH12 ARG 10 -13.865 13.875 -4.902
68 HH21 ARG 10 HH21 ARG 10 -12.721 11.364 -7.076
69 HH22 ARG 10 HH22 ARG 10 -12.948 13.074 -6.859
70 H ARG 11 H ARG 11 -14.980 9.078 0.692
71 HA ARG 11 HA ARG 11 -12.543 10.448 0.614
72 HB2 ARG 11 HB2 ARG 11 -14.434 10.929 2.122
73 HB3 ARG 11 HB3 ARG 11 -14.128 9.425 2.971
74 HG2 ARG 11 HG2 ARG 11 -11.959 10.281 3.691
75 HG3 ARG 11 HG3 ARG 11 -12.299 11.806 2.860
76 HD2 ARG 11 HD2 ARG 11 -14.335 12.056 4.232
77 HD3 ARG 11 HD3 ARG 11 -13.901 10.586 5.100
78 HE ARG 11 HE ARG 11 -11.786 11.909 5.681
79 HH11 ARG 11 HH11 ARG 11 -14.929 13.321 5.158
80 HH12 ARG 11 HH12 ARG 11 -14.692 14.619 6.297
81 HH21 ARG 11 HH21 ARG 11 -11.443 13.590 7.182
82 HH22 ARG 11 HH22 ARG 11 -12.693 14.769 7.459
83 H LYS 12 H LYS 12 -13.412 7.337 2.104
84 HA LYS 12 HA LYS 12 -10.885 6.824 3.244
85 HB2 LYS 12 HB2 LYS 12 -12.946 5.709 3.974
86 HB3 LYS 12 HB3 LYS 12 -13.044 4.875 2.434
87 HG2 LYS 12 HG2 LYS 12 -12.184 3.303 3.936
88 HG3 LYS 12 HG3 LYS 12 -10.798 3.850 2.997
89 HD2 LYS 12 HD2 LYS 12 -11.490 5.071 5.656
90 HD3 LYS 12 HD3 LYS 12 -10.514 3.609 5.538
91 HE2 LYS 12 HE2 LYS 12 -8.887 4.811 4.157
92 HE3 LYS 12 HE3 LYS 12 -9.872 6.269 4.266
93 HZ1 LYS 12 HZ1 LYS 12 -8.611 4.873 6.568
94 HZ2 LYS 12 HZ2 LYS 12 -9.527 6.297 6.647
95 HZ3 LYS 12 HZ3 LYS 12 -8.035 6.294 5.846
96 H ILE 13 H ILE 13 -12.345 5.682 0.181
97 HA ILE 13 HA ILE 13 -10.172 4.037 -0.518
98 HB ILE 13 HB ILE 13 -11.021 4.073 -2.827
99 HG12 ILE 13 HG12 ILE 13 -13.055 6.062 -1.785
100 HG13 ILE 13 HG13 ILE 13 -11.734 6.450 -2.881
101 HG21 ILE 13 HG21 ILE 13 -11.980 2.547 -1.193
102 HG22 ILE 13 HG22 ILE 13 -13.202 3.077 -2.348
103 HG23 ILE 13 HG23 ILE 13 -13.163 3.769 -0.725
104 HD11 ILE 13 HD11 ILE 13 -13.845 6.217 -4.062
105 HD12 ILE 13 HD12 ILE 13 -14.004 4.565 -3.468
106 HD13 ILE 13 HD13 ILE 13 -12.691 4.984 -4.568
107 H ARG 14 H ARG 14 -10.830 7.451 -1.236
108 HA ARG 14 HA ARG 14 -8.604 7.867 -2.903
109 HB2 ARG 14 HB2 ARG 14 -10.334 9.529 -2.842
110 HB3 ARG 14 HB3 ARG 14 -10.143 9.757 -1.113
111 HG2 ARG 14 HG2 ARG 14 -7.783 10.305 -2.814
112 HG3 ARG 14 HG3 ARG 14 -9.132 11.437 -2.903
113 HD2 ARG 14 HD2 ARG 14 -8.982 11.971 -0.626
114 HD3 ARG 14 HD3 ARG 14 -7.994 10.557 -0.273
115 HE ARG 14 HE ARG 14 -6.388 11.922 -1.921
116 HH11 ARG 14 HH11 ARG 14 -8.289 13.002 0.815
117 HH12 ARG 14 HH12 ARG 14 -7.128 14.183 1.333
118 HH21 ARG 14 HH21 ARG 14 -4.842 13.472 -1.245
119 HH22 ARG 14 HH22 ARG 14 -5.187 14.486 0.131
120 H SER 15 H SER 15 -8.998 8.161 0.597
121 HA SER 15 HA SER 15 -6.428 9.111 1.200
122 HB2 SER 15 HB2 SER 15 -8.344 9.139 2.778
123 HB3 SER 15 HB3 SER 15 -8.243 7.385 2.909
124 HG SER 15 HG SER 15 -6.633 9.361 4.013
125 H LEU 16 H LEU 16 -7.724 5.812 1.061
126 HA LEU 16 HA LEU 16 -5.368 4.509 1.895
127 HB2 LEU 16 HB2 LEU 16 -7.687 3.518 0.240
128 HB3 LEU 16 HB3 LEU 16 -6.412 2.486 0.857
129 HG LEU 16 HG LEU 16 -8.288 4.114 2.569
130 HD11 LEU 16 HD11 LEU 16 -9.332 1.995 3.129
131 HD12 LEU 16 HD12 LEU 16 -8.259 1.154 2.010
132 HD13 LEU 16 HD13 LEU 16 -9.445 2.308 1.397
133 HD21 LEU 16 HD21 LEU 16 -6.099 3.733 3.593
134 HD22 LEU 16 HD22 LEU 16 -6.270 2.000 3.311
135 HD23 LEU 16 HD23 LEU 16 -7.368 2.828 4.417
136 H GLN 17 H GLN 17 -6.663 5.152 -1.368
137 HA GLN 17 HA GLN 17 -4.693 3.846 -2.830
138 HB2 GLN 17 HB2 GLN 17 -6.294 6.315 -3.487
139 HB3 GLN 17 HB3 GLN 17 -5.207 5.553 -4.640
140 HG2 GLN 17 HG2 GLN 17 -6.514 3.477 -4.464
141 HG3 GLN 17 HG3 GLN 17 -7.620 4.290 -3.358
142 HE21 GLN 17 HE21 GLN 17 -9.375 4.009 -4.722
143 HE22 GLN 17 HE22 GLN 17 -9.563 4.903 -6.186
144 H GLU 18 H GLU 18 -4.771 7.276 -1.842
145 HA GLU 18 HA GLU 18 -2.297 7.937 -3.007
146 HB2 GLU 18 HB2 GLU 18 -4.036 9.576 -2.247
147 HB3 GLU 18 HB3 GLU 18 -3.542 9.253 -0.589
148 HG2 GLU 18 HG2 GLU 18 -1.246 9.990 -1.196
149 HG3 GLU 18 HG3 GLU 18 -1.861 10.450 -2.782
150 H GLN 19 H GLN 19 -3.130 6.908 0.281
151 HA GLN 19 HA GLN 19 -0.563 7.193 1.394
152 HB2 GLN 19 HB2 GLN 19 -2.672 6.878 2.693
153 HB3 GLN 19 HB3 GLN 19 -2.691 5.194 2.190
154 HG2 GLN 19 HG2 GLN 19 -1.815 5.410 4.435
155 HG3 GLN 19 HG3 GLN 19 -0.567 4.822 3.339
156 HE21 GLN 19 HE21 GLN 19 -1.682 7.515 5.242
157 HE22 GLN 19 HE22 GLN 19 -0.188 8.395 5.218
158 H ASN 20 H ASN 20 -2.139 4.433 -0.190
159 HA ASN 20 HA ASN 20 -0.046 2.586 0.236
160 HB2 ASN 20 HB2 ASN 20 -2.296 2.708 -1.759
161 HB3 ASN 20 HB3 ASN 20 -1.100 1.420 -1.813
162 HD21 ASN 20 HD21 ASN 20 -2.094 2.839 1.204
163 HD22 ASN 20 HD22 ASN 20 -3.000 1.485 1.778
164 H TYR 21 H TYR 21 -0.778 4.721 -2.515
165 HA TYR 21 HA TYR 21 1.422 3.999 -4.105
166 HB2 TYR 21 HB2 TYR 21 0.019 6.668 -3.870
167 HB3 TYR 21 HB3 TYR 21 1.185 6.268 -5.123
168 HD1 TYR 21 HD1 TYR 21 0.243 3.421 -5.635
169 HD2 TYR 21 HD2 TYR 21 -1.876 7.082 -5.201
170 HE1 TYR 21 HE1 TYR 21 -1.569 2.533 -7.037
171 HE2 TYR 21 HE2 TYR 21 -3.693 6.204 -6.603
172 HH TYR 21 HH TYR 21 -3.944 2.904 -7.432
173 H HIS 22 H HIS 22 1.034 6.471 -1.619
174 HA HIS 22 HA HIS 22 3.562 7.654 -1.825
175 HB2 HIS 22 HB2 HIS 22 1.438 8.384 -0.505
176 HB3 HIS 22 HB3 HIS 22 2.109 7.409 0.800
177 HD1 HIS 22 HD1 HIS 22 1.736 10.518 0.949
178 HD2 HIS 22 HD2 HIS 22 5.281 8.550 0.007
179 HE1 HIS 22 HE1 HIS 22 3.587 12.137 1.502
180 HE2 HIS 22 HE2 HIS 22 5.724 10.882 1.016
181 H LEU 23 H LEU 23 2.421 4.938 0.153
182 HA LEU 23 HA LEU 23 4.739 4.477 1.625
183 HB2 LEU 23 HB2 LEU 23 2.685 2.517 0.598
184 HB3 LEU 23 HB3 LEU 23 3.961 2.085 1.717
185 HG LEU 23 HG LEU 23 1.774 4.101 2.258
186 HD11 LEU 23 HD11 LEU 23 0.952 1.802 2.183
187 HD12 LEU 23 HD12 LEU 23 0.935 2.436 3.828
188 HD13 LEU 23 HD13 LEU 23 2.201 1.314 3.331
189 HD21 LEU 23 HD21 LEU 23 3.842 4.670 3.418
190 HD22 LEU 23 HD22 LEU 23 3.963 3.022 4.039
191 HD23 LEU 23 HD23 LEU 23 2.636 4.064 4.553
192 H GLU 24 H GLU 24 3.778 2.974 -1.473
193 HA GLU 24 HA GLU 24 6.163 1.517 -1.813
194 HB2 GLU 24 HB2 GLU 24 3.970 2.381 -3.653
195 HB3 GLU 24 HB3 GLU 24 5.412 1.618 -4.312
196 HG2 GLU 24 HG2 GLU 24 3.756 0.386 -2.126
197 HG3 GLU 24 HG3 GLU 24 3.467 0.094 -3.839
198 H ASN 25 H ASN 25 5.257 4.759 -2.920
199 HA ASN 25 HA ASN 25 7.586 5.213 -4.463
200 HB2 ASN 25 HB2 ASN 25 5.532 7.006 -3.220
201 HB3 ASN 25 HB3 ASN 25 6.995 7.707 -3.902
202 HD21 ASN 25 HD21 ASN 25 4.054 5.970 -4.590
203 HD22 ASN 25 HD22 ASN 25 4.069 6.237 -6.302
204 H GLU 26 H GLU 26 6.795 5.871 -1.082
205 HA GLU 26 HA GLU 26 9.208 7.289 -0.547
206 HB2 GLU 26 HB2 GLU 26 6.873 7.190 0.725
207 HB3 GLU 26 HB3 GLU 26 7.707 5.953 1.657
208 HG2 GLU 26 HG2 GLU 26 7.948 8.036 2.783
209 HG3 GLU 26 HG3 GLU 26 9.516 7.583 2.111
210 H VAL 27 H VAL 27 8.167 3.929 -0.052
211 HA VAL 27 HA VAL 27 10.523 3.158 1.343
212 HB VAL 27 HB VAL 27 8.380 1.851 1.401
213 HG11 VAL 27 HG11 VAL 27 7.857 1.892 -0.985
214 HG12 VAL 27 HG12 VAL 27 7.919 0.242 -0.367
215 HG13 VAL 27 HG13 VAL 27 9.264 0.879 -1.313
216 HG21 VAL 27 HG21 VAL 27 9.491 -0.367 1.406
217 HG22 VAL 27 HG22 VAL 27 10.400 0.871 2.271
218 HG23 VAL 27 HG23 VAL 27 10.905 0.376 0.655
219 H ALA 28 H ALA 28 9.641 3.344 -2.051
220 HA ALA 28 HA ALA 28 11.864 2.019 -3.140
221 HB1 ALA 28 HB1 ALA 28 9.918 2.694 -4.478
222 HB2 ALA 28 HB2 ALA 28 11.424 3.290 -5.178
223 HB3 ALA 28 HB3 ALA 28 10.372 4.385 -4.279
224 H ARG 29 H ARG 29 11.370 5.417 -2.207
225 HA ARG 29 HA ARG 29 13.925 6.402 -2.763
226 HB2 ARG 29 HB2 ARG 29 11.758 7.131 -0.869
227 HB3 ARG 29 HB3 ARG 29 13.358 7.752 -0.491
228 HG2 ARG 29 HG2 ARG 29 12.048 9.358 -1.747
229 HG3 ARG 29 HG3 ARG 29 13.460 8.839 -2.663
230 HD2 ARG 29 HD2 ARG 29 12.132 7.430 -4.048
231 HD3 ARG 29 HD3 ARG 29 10.718 7.660 -3.017
232 HE ARG 29 HE ARG 29 10.588 9.929 -3.788
233 HH11 ARG 29 HH11 ARG 29 12.750 7.843 -5.582
234 HH12 ARG 29 HH12 ARG 29 12.791 8.862 -6.986
235 HH21 ARG 29 HH21 ARG 29 10.639 11.285 -5.629
236 HH22 ARG 29 HH22 ARG 29 11.612 10.836 -7.004
237 H LEU 30 H LEU 30 12.699 4.871 0.175
238 HA LEU 30 HA LEU 30 14.999 5.098 1.739
239 HB2 LEU 30 HB2 LEU 30 12.797 4.542 2.635
240 HB3 LEU 30 HB3 LEU 30 12.837 2.996 1.811
241 HG LEU 30 HG LEU 30 14.770 2.331 3.206
242 HD11 LEU 30 HD11 LEU 30 14.214 4.896 4.692
243 HD12 LEU 30 HD12 LEU 30 15.627 4.580 3.685
244 HD13 LEU 30 HD13 LEU 30 15.366 3.644 5.157
245 HD21 LEU 30 HD21 LEU 30 13.492 1.997 5.256
246 HD22 LEU 30 HD22 LEU 30 12.499 1.712 3.827
247 HD23 LEU 30 HD23 LEU 30 12.329 3.214 4.732
248 H LYS 31 H LYS 31 13.900 2.272 -0.184
249 HA LYS 31 HA LYS 31 16.222 0.775 0.531
250 HB2 LYS 31 HB2 LYS 31 15.425 -0.906 -1.059
251 HB3 LYS 31 HB3 LYS 31 14.154 -0.376 0.029
252 HG2 LYS 31 HG2 LYS 31 13.252 1.057 -1.743
253 HG3 LYS 31 HG3 LYS 31 14.515 0.476 -2.834
254 HD2 LYS 31 HD2 LYS 31 13.688 -1.800 -2.609
255 HD3 LYS 31 HD3 LYS 31 12.454 -1.257 -1.470
256 HE2 LYS 31 HE2 LYS 31 11.453 0.129 -3.221
257 HE3 LYS 31 HE3 LYS 31 12.690 -0.414 -4.356
258 HZ1 LYS 31 HZ1 LYS 31 10.632 -1.653 -4.620
259 HZ2 LYS 31 HZ2 LYS 31 10.704 -2.161 -3.007
260 HZ3 LYS 31 HZ3 LYS 31 11.885 -2.674 -4.106
261 H LYS 32 H LYS 32 15.508 2.978 -2.067
262 HA LYS 32 HA LYS 32 17.766 2.116 -3.641
263 HB2 LYS 32 HB2 LYS 32 15.645 3.288 -4.518
264 HB3 LYS 32 HB3 LYS 32 16.370 4.772 -3.910
265 HG2 LYS 32 HG2 LYS 32 16.825 4.507 -6.275
266 HG3 LYS 32 HG3 LYS 32 18.321 4.400 -5.344
267 HD2 LYS 32 HD2 LYS 32 18.154 1.931 -5.438
268 HD3 LYS 32 HD3 LYS 32 16.734 2.095 -6.469
269 HE2 LYS 32 HE2 LYS 32 18.101 3.295 -8.125
270 HE3 LYS 32 HE3 LYS 32 19.515 3.073 -7.093
271 HZ1 LYS 32 HZ1 LYS 32 19.166 0.649 -7.286
272 HZ2 LYS 32 HZ2 LYS 32 19.509 1.388 -8.774
273 HZ3 LYS 32 HZ3 LYS 32 17.917 0.937 -8.397
274 H LEU 33 H LEU 33 17.157 4.238 -1.012
275 HA LEU 33 HA LEU 33 19.528 5.827 -1.301
276 HB2 LEU 33 HB2 LEU 33 17.569 6.657 -0.089
277 HB3 LEU 33 HB3 LEU 33 17.731 5.365 1.085
278 HG LEU 33 HG LEU 33 19.936 6.318 1.750
279 HD11 LEU 33 HD11 LEU 33 20.474 8.600 1.070
280 HD12 LEU 33 HD12 LEU 33 19.102 8.594 -0.040
281 HD13 LEU 33 HD13 LEU 33 20.461 7.500 -0.308
282 HD21 LEU 33 HD21 LEU 33 17.926 6.805 3.029
283 HD22 LEU 33 HD22 LEU 33 17.564 8.166 1.969
284 HD23 LEU 33 HD23 LEU 33 18.996 8.206 2.996
285 H VAL 34 H VAL 34 18.605 2.948 0.530
286 HA VAL 34 HA VAL 34 21.219 2.771 1.762
287 HB VAL 34 HB VAL 34 19.267 2.060 3.054
288 HG11 VAL 34 HG11 VAL 34 17.838 1.236 1.299
289 HG12 VAL 34 HG12 VAL 34 18.087 -0.025 2.509
290 HG13 VAL 34 HG13 VAL 34 18.954 -0.088 0.973
291 HG21 VAL 34 HG21 VAL 34 21.143 -0.202 2.403
292 HG22 VAL 34 HG22 VAL 34 20.105 -0.118 3.825
293 HG23 VAL 34 HG23 VAL 34 21.397 1.062 3.605
294 H GLY 35 H GLY 35 19.486 1.266 -0.894
295 HA2 GLY 35 HA2 GLY 35 21.457 -0.778 -1.324
296 HA3 GLY 35 HA3 GLY 35 20.122 -0.372 -2.392
297 H GLU 36 H GLU 36 20.582 2.213 -3.014
298 HA GLU 36 HA GLU 36 21.672 3.522 -4.508
299 HB2 GLU 36 HB2 GLU 36 24.154 2.395 -3.200
300 HB3 GLU 36 HB3 GLU 36 24.066 3.863 -4.163
301 HG2 GLU 36 HG2 GLU 36 22.485 4.786 -2.463
302 HG3 GLU 36 HG3 GLU 36 22.812 3.363 -1.475
303 H ARG 37 H ARG 37 24.290 3.000 -5.696
304 HA ARG 37 HA ARG 37 23.461 1.230 -7.796
305 HB2 ARG 37 HB2 ARG 37 24.767 3.205 -8.346
306 HB3 ARG 37 HB3 ARG 37 26.078 2.668 -7.304
307 HG2 ARG 37 HG2 ARG 37 26.535 2.296 -9.689
308 HG3 ARG 37 HG3 ARG 37 26.524 0.796 -8.758
309 HD2 ARG 37 HD2 ARG 37 24.128 0.505 -9.481
310 HD3 ARG 37 HD3 ARG 37 24.381 1.853 -10.589
311 HE ARG 37 HE ARG 37 26.399 0.242 -11.266
312 HH11 ARG 37 HH11 ARG 37 22.999 -0.436 -10.750
313 HH12 ARG 37 HH12 ARG 37 22.970 -1.786 -11.846
314 HH21 ARG 37 HH21 ARG 37 26.366 -1.545 -12.700
315 HH22 ARG 37 HH22 ARG 37 24.879 -2.410 -12.960
316 HA2 GLY 0 HA2 GLY 0 -27.590 -7.215 -0.141
317 HA3 GLY 0 HA3 GLY 0 -26.565 -5.852 0.287
318 H ALA 1 H ALA 1 -26.128 -4.360 -1.216
319 HA ALA 1 HA ALA 1 -27.423 -4.655 -3.795
320 HB1 ALA 1 HB1 ALA 1 -27.683 -2.582 -2.526
321 HB2 ALA 1 HB2 ALA 1 -26.918 -2.289 -4.086
322 HB3 ALA 1 HB3 ALA 1 -25.944 -2.306 -2.616
323 H GLY 2 H GLY 2 -26.355 -5.660 -5.366
324 HA2 GLY 2 HA2 GLY 2 -24.734 -5.609 -7.082
325 HA3 GLY 2 HA3 GLY 2 -23.664 -4.710 -6.016
326 H SER 3 H SER 3 -25.057 -7.890 -6.620
327 HA SER 3 HA SER 3 -23.492 -9.348 -4.806
328 HB2 SER 3 HB2 SER 3 -25.515 -10.254 -5.873
329 HB3 SER 3 HB3 SER 3 -24.702 -10.239 -7.437
330 HG SER 3 HG SER 3 -23.348 -11.849 -6.759
331 H SER 4 H SER 4 -22.922 -8.342 -8.134
332 HA SER 4 HA SER 4 -20.540 -9.852 -8.486
333 HB2 SER 4 HB2 SER 4 -21.422 -7.360 -9.957
334 HB3 SER 4 HB3 SER 4 -20.271 -8.570 -10.523
335 HG SER 4 HG SER 4 -22.529 -8.700 -11.317
336 H SER 5 H SER 5 -21.293 -6.532 -7.562
337 HA SER 5 HA SER 5 -18.667 -5.567 -7.503
338 HB2 SER 5 HB2 SER 5 -21.010 -4.614 -5.837
339 HB3 SER 5 HB3 SER 5 -19.583 -3.683 -6.300
340 HG SER 5 HG SER 5 -20.337 -4.243 -8.560
341 H LEU 6 H LEU 6 -20.656 -7.228 -5.149
342 HA LEU 6 HA LEU 6 -19.272 -6.792 -2.812
343 HB2 LEU 6 HB2 LEU 6 -21.433 -8.230 -3.475
344 HB3 LEU 6 HB3 LEU 6 -20.278 -9.540 -3.357
345 HG LEU 6 HG LEU 6 -20.913 -7.591 -1.135
346 HD11 LEU 6 HD11 LEU 6 -21.735 -10.472 -1.467
347 HD12 LEU 6 HD12 LEU 6 -22.791 -9.077 -1.681
348 HD13 LEU 6 HD13 LEU 6 -22.102 -9.424 -0.096
349 HD21 LEU 6 HD21 LEU 6 -18.637 -8.474 -0.999
350 HD22 LEU 6 HD22 LEU 6 -19.263 -10.118 -1.127
351 HD23 LEU 6 HD23 LEU 6 -19.657 -9.133 0.280
352 H GLU 7 H GLU 7 -18.721 -9.254 -5.304
353 HA GLU 7 HA GLU 7 -16.661 -10.673 -4.122
354 HB2 GLU 7 HB2 GLU 7 -17.025 -10.034 -7.057
355 HB3 GLU 7 HB3 GLU 7 -16.018 -11.321 -6.408
356 HG2 GLU 7 HG2 GLU 7 -19.007 -11.117 -6.104
357 HG3 GLU 7 HG3 GLU 7 -18.157 -12.148 -7.255
358 H ALA 8 H ALA 8 -16.454 -7.882 -6.310
359 HA ALA 8 HA ALA 8 -13.660 -7.707 -6.334
360 HB1 ALA 8 HB1 ALA 8 -14.014 -5.453 -7.258
361 HB2 ALA 8 HB2 ALA 8 -15.728 -5.575 -6.862
362 HB3 ALA 8 HB3 ALA 8 -15.019 -6.665 -8.052
363 H VAL 9 H VAL 9 -16.114 -5.920 -4.473
364 HA VAL 9 HA VAL 9 -14.380 -4.232 -3.100
365 HB VAL 9 HB VAL 9 -17.054 -5.323 -2.185
366 HG11 VAL 9 HG11 VAL 9 -15.488 -2.939 -1.196
367 HG12 VAL 9 HG12 VAL 9 -15.795 -4.427 -0.302
368 HG13 VAL 9 HG13 VAL 9 -17.133 -3.355 -0.717
369 HG21 VAL 9 HG21 VAL 9 -16.313 -2.793 -3.653
370 HG22 VAL 9 HG22 VAL 9 -17.907 -3.131 -2.983
371 HG23 VAL 9 HG23 VAL 9 -17.263 -4.141 -4.278
372 H ARG 10 H ARG 10 -15.594 -7.453 -2.286
373 HA ARG 10 HA ARG 10 -14.645 -7.749 0.269
374 HB2 ARG 10 HB2 ARG 10 -16.035 -9.439 -0.754
375 HB3 ARG 10 HB3 ARG 10 -14.799 -9.792 -1.953
376 HG2 ARG 10 HG2 ARG 10 -13.326 -10.622 -0.175
377 HG3 ARG 10 HG3 ARG 10 -14.594 -10.301 1.011
378 HD2 ARG 10 HD2 ARG 10 -14.887 -12.154 -1.352
379 HD3 ARG 10 HD3 ARG 10 -14.471 -12.675 0.281
380 HE ARG 10 HE ARG 10 -16.664 -11.827 0.990
381 HH11 ARG 10 HH11 ARG 10 -16.157 -12.420 -2.424
382 HH12 ARG 10 HH12 ARG 10 -17.843 -12.658 -2.770
383 HH21 ARG 10 HH21 ARG 10 -18.857 -12.199 0.570
384 HH22 ARG 10 HH22 ARG 10 -19.385 -12.570 -1.052
385 H ARG 11 H ARG 11 -12.911 -8.792 -2.689
386 HA ARG 11 HA ARG 11 -10.585 -9.426 -1.215
387 HB2 ARG 11 HB2 ARG 11 -11.126 -10.471 -3.400
388 HB3 ARG 11 HB3 ARG 11 -10.815 -8.927 -4.189
389 HG2 ARG 11 HG2 ARG 11 -8.506 -8.994 -3.556
390 HG3 ARG 11 HG3 ARG 11 -8.773 -10.415 -2.548
391 HD2 ARG 11 HD2 ARG 11 -7.728 -11.050 -4.639
392 HD3 ARG 11 HD3 ARG 11 -9.360 -11.708 -4.542
393 HE ARG 11 HE ARG 11 -10.059 -9.978 -6.095
394 HH11 ARG 11 HH11 ARG 11 -6.609 -10.491 -5.780
395 HH12 ARG 11 HH12 ARG 11 -6.245 -9.867 -7.362
396 HH21 ARG 11 HH21 ARG 11 -9.578 -9.168 -8.181
397 HH22 ARG 11 HH22 ARG 11 -7.930 -9.111 -8.720
398 H LYS 12 H LYS 12 -11.701 -6.570 -2.900
399 HA LYS 12 HA LYS 12 -9.308 -5.167 -3.090
400 HB2 LYS 12 HB2 LYS 12 -11.388 -4.455 -4.178
401 HB3 LYS 12 HB3 LYS 12 -12.097 -4.097 -2.615
402 HG2 LYS 12 HG2 LYS 12 -11.458 -2.031 -3.526
403 HG3 LYS 12 HG3 LYS 12 -10.255 -2.405 -2.294
404 HD2 LYS 12 HD2 LYS 12 -9.815 -3.066 -5.194
405 HD3 LYS 12 HD3 LYS 12 -9.423 -1.480 -4.534
406 HE2 LYS 12 HE2 LYS 12 -7.937 -2.560 -2.890
407 HE3 LYS 12 HE3 LYS 12 -8.302 -4.125 -3.615
408 HZ1 LYS 12 HZ1 LYS 12 -7.324 -3.366 -5.685
409 HZ2 LYS 12 HZ2 LYS 12 -6.207 -3.218 -4.417
410 HZ3 LYS 12 HZ3 LYS 12 -7.003 -1.844 -5.006
411 H ILE 13 H ILE 13 -11.795 -4.917 -0.515
412 HA ILE 13 HA ILE 13 -10.251 -3.132 1.022
413 HB ILE 13 HB ILE 13 -11.849 -3.556 2.850
414 HG12 ILE 13 HG12 ILE 13 -13.086 -5.576 0.961
415 HG13 ILE 13 HG13 ILE 13 -12.197 -5.977 2.426
416 HG21 ILE 13 HG21 ILE 13 -12.383 -1.914 1.153
417 HG22 ILE 13 HG22 ILE 13 -13.851 -2.743 1.670
418 HG23 ILE 13 HG23 ILE 13 -13.098 -3.163 0.132
419 HD11 ILE 13 HD11 ILE 13 -13.879 -4.858 3.767
420 HD12 ILE 13 HD12 ILE 13 -14.606 -6.104 2.755
421 HD13 ILE 13 HD13 ILE 13 -14.758 -4.405 2.308
422 H ARG 14 H ARG 14 -10.513 -6.637 0.978
423 HA ARG 14 HA ARG 14 -9.183 -7.028 3.444
424 HB2 ARG 14 HB2 ARG 14 -9.657 -8.874 1.102
425 HB3 ARG 14 HB3 ARG 14 -8.894 -9.384 2.605
426 HG2 ARG 14 HG2 ARG 14 -10.937 -8.674 3.822
427 HG3 ARG 14 HG3 ARG 14 -11.695 -8.331 2.265
428 HD2 ARG 14 HD2 ARG 14 -12.322 -10.537 3.137
429 HD3 ARG 14 HD3 ARG 14 -11.458 -10.650 1.605
430 HE ARG 14 HE ARG 14 -9.641 -11.599 2.703
431 HH11 ARG 14 HH11 ARG 14 -12.179 -10.718 4.963
432 HH12 ARG 14 HH12 ARG 14 -11.484 -11.617 6.277
433 HH21 ARG 14 HH21 ARG 14 -8.730 -12.762 4.438
434 HH22 ARG 14 HH22 ARG 14 -9.524 -12.769 5.989
435 H SER 15 H SER 15 -8.120 -6.916 0.067
436 HA SER 15 HA SER 15 -5.450 -7.607 0.516
437 HB2 SER 15 HB2 SER 15 -6.627 -5.795 -1.611
438 HB3 SER 15 HB3 SER 15 -4.998 -6.471 -1.644
439 HG SER 15 HG SER 15 -7.480 -7.766 -1.940
440 H LEU 16 H LEU 16 -7.136 -4.499 0.582
441 HA LEU 16 HA LEU 16 -4.973 -2.823 1.012
442 HB2 LEU 16 HB2 LEU 16 -7.774 -2.634 2.129
443 HB3 LEU 16 HB3 LEU 16 -6.606 -1.326 2.133
444 HG LEU 16 HG LEU 16 -7.649 -2.633 -0.382
445 HD11 LEU 16 HD11 LEU 16 -8.505 -0.047 0.911
446 HD12 LEU 16 HD12 LEU 16 -9.466 -1.523 0.810
447 HD13 LEU 16 HD13 LEU 16 -9.034 -0.650 -0.660
448 HD21 LEU 16 HD21 LEU 16 -6.100 -0.084 0.072
449 HD22 LEU 16 HD22 LEU 16 -6.712 -0.661 -1.479
450 HD23 LEU 16 HD23 LEU 16 -5.467 -1.573 -0.629
451 H GLN 17 H GLN 17 -6.997 -4.538 3.375
452 HA GLN 17 HA GLN 17 -5.804 -3.697 5.714
453 HB2 GLN 17 HB2 GLN 17 -6.947 -6.421 5.063
454 HB3 GLN 17 HB3 GLN 17 -6.613 -5.832 6.685
455 HG2 GLN 17 HG2 GLN 17 -8.281 -4.132 6.483
456 HG3 GLN 17 HG3 GLN 17 -8.523 -4.508 4.776
457 HE21 GLN 17 HE21 GLN 17 -10.697 -4.926 5.061
458 HE22 GLN 17 HE22 GLN 17 -11.275 -6.358 5.844
459 H GLU 18 H GLU 18 -5.003 -6.552 3.750
460 HA GLU 18 HA GLU 18 -2.884 -7.438 5.378
461 HB2 GLU 18 HB2 GLU 18 -4.267 -8.555 3.368
462 HB3 GLU 18 HB3 GLU 18 -2.856 -8.039 2.463
463 HG2 GLU 18 HG2 GLU 18 -2.853 -9.851 4.866
464 HG3 GLU 18 HG3 GLU 18 -2.656 -10.349 3.190
465 H GLN 19 H GLN 19 -2.823 -5.834 2.191
466 HA GLN 19 HA GLN 19 -0.064 -5.709 1.977
467 HB2 GLN 19 HB2 GLN 19 -2.334 -4.367 0.619
468 HB3 GLN 19 HB3 GLN 19 -0.745 -3.646 0.422
469 HG2 GLN 19 HG2 GLN 19 -1.223 -5.158 -1.399
470 HG3 GLN 19 HG3 GLN 19 0.120 -5.763 -0.431
471 HE21 GLN 19 HE21 GLN 19 -0.171 -7.614 0.818
472 HE22 GLN 19 HE22 GLN 19 -1.508 -8.685 0.583
473 H ASN 20 H ASN 20 -2.307 -3.371 3.413
474 HA ASN 20 HA ASN 20 -0.394 -1.296 3.607
475 HB2 ASN 20 HB2 ASN 20 -2.999 -1.789 5.037
476 HB3 ASN 20 HB3 ASN 20 -1.972 -0.416 5.434
477 HD21 ASN 20 HD21 ASN 20 -2.267 -1.710 2.200
478 HD22 ASN 20 HD22 ASN 20 -3.115 -0.364 1.527
479 H TYR 21 H TYR 21 -1.580 -3.632 6.022
480 HA TYR 21 HA TYR 21 0.197 -2.925 8.070
481 HB2 TYR 21 HB2 TYR 21 -1.731 -4.318 8.533
482 HB3 TYR 21 HB3 TYR 21 -1.160 -5.556 7.423
483 HD1 TYR 21 HD1 TYR 21 -0.461 -3.917 10.677
484 HD2 TYR 21 HD2 TYR 21 0.322 -7.248 8.151
485 HE1 TYR 21 HE1 TYR 21 0.668 -5.059 12.540
486 HE2 TYR 21 HE2 TYR 21 1.451 -8.395 10.005
487 HH TYR 21 HH TYR 21 2.540 -7.900 12.093
488 H HIS 22 H HIS 22 0.396 -5.197 5.417
489 HA HIS 22 HA HIS 22 2.766 -6.507 5.991
490 HB2 HIS 22 HB2 HIS 22 0.976 -6.855 4.127
491 HB3 HIS 22 HB3 HIS 22 1.964 -5.738 3.196
492 HD1 HIS 22 HD1 HIS 22 1.405 -9.144 3.429
493 HD2 HIS 22 HD2 HIS 22 4.879 -6.853 3.356
494 HE1 HIS 22 HE1 HIS 22 3.234 -10.701 2.678
495 HE2 HIS 22 HE2 HIS 22 5.244 -9.215 2.366
496 H LEU 23 H LEU 23 2.292 -3.689 3.845
497 HA LEU 23 HA LEU 23 5.070 -3.390 3.373
498 HB2 LEU 23 HB2 LEU 23 2.797 -1.474 2.857
499 HB3 LEU 23 HB3 LEU 23 4.425 -1.302 2.233
500 HG LEU 23 HG LEU 23 2.486 -3.513 1.548
501 HD11 LEU 23 HD11 LEU 23 3.562 -1.234 -0.108
502 HD12 LEU 23 HD12 LEU 23 1.924 -1.365 0.532
503 HD13 LEU 23 HD13 LEU 23 2.494 -2.517 -0.675
504 HD21 LEU 23 HD21 LEU 23 4.175 -4.229 -0.067
505 HD22 LEU 23 HD22 LEU 23 4.782 -4.331 1.586
506 HD23 LEU 23 HD23 LEU 23 5.282 -2.999 0.543
507 H GLU 24 H GLU 24 2.817 -1.996 5.656
508 HA GLU 24 HA GLU 24 4.303 0.218 6.476
509 HB2 GLU 24 HB2 GLU 24 1.936 -0.227 7.092
510 HB3 GLU 24 HB3 GLU 24 2.481 -1.516 8.155
511 HG2 GLU 24 HG2 GLU 24 3.640 0.058 9.557
512 HG3 GLU 24 HG3 GLU 24 3.265 1.373 8.442
513 H ASN 25 H ASN 25 4.242 -3.112 7.722
514 HA ASN 25 HA ASN 25 6.297 -2.678 9.623
515 HB2 ASN 25 HB2 ASN 25 5.066 -5.148 8.422
516 HB3 ASN 25 HB3 ASN 25 6.463 -5.256 9.490
517 HD21 ASN 25 HD21 ASN 25 3.094 -4.389 9.257
518 HD22 ASN 25 HD22 ASN 25 2.787 -4.364 10.962
519 H GLU 26 H GLU 26 6.194 -3.816 6.310
520 HA GLU 26 HA GLU 26 8.760 -4.740 5.952
521 HB2 GLU 26 HB2 GLU 26 6.965 -4.906 4.281
522 HB3 GLU 26 HB3 GLU 26 7.043 -3.173 4.019
523 HG2 GLU 26 HG2 GLU 26 8.169 -4.274 2.231
524 HG3 GLU 26 HG3 GLU 26 9.364 -3.440 3.224
525 H VAL 27 H VAL 27 7.600 -1.419 5.278
526 HA VAL 27 HA VAL 27 10.152 -0.424 4.666
527 HB VAL 27 HB VAL 27 8.112 0.695 3.900
528 HG11 VAL 27 HG11 VAL 27 7.720 1.497 6.779
529 HG12 VAL 27 HG12 VAL 27 6.706 0.388 5.857
530 HG13 VAL 27 HG13 VAL 27 6.786 2.090 5.405
531 HG21 VAL 27 HG21 VAL 27 9.834 2.445 5.646
532 HG22 VAL 27 HG22 VAL 27 8.784 3.007 4.345
533 HG23 VAL 27 HG23 VAL 27 10.168 1.976 3.979
534 H ALA 28 H ALA 28 8.358 -0.654 7.676
535 HA ALA 28 HA ALA 28 9.901 1.069 9.238
536 HB1 ALA 28 HB1 ALA 28 8.977 -0.116 11.155
537 HB2 ALA 28 HB2 ALA 28 8.433 -1.422 10.102
538 HB3 ALA 28 HB3 ALA 28 7.727 0.186 9.946
539 H ARG 29 H ARG 29 10.191 -2.422 8.656
540 HA ARG 29 HA ARG 29 12.345 -2.855 10.395
541 HB2 ARG 29 HB2 ARG 29 11.651 -4.373 7.872
542 HB3 ARG 29 HB3 ARG 29 12.660 -4.953 9.189
543 HG2 ARG 29 HG2 ARG 29 9.747 -4.243 9.458
544 HG3 ARG 29 HG3 ARG 29 10.369 -5.876 9.213
545 HD2 ARG 29 HD2 ARG 29 11.259 -4.144 11.502
546 HD3 ARG 29 HD3 ARG 29 9.832 -5.175 11.605
547 HE ARG 29 HE ARG 29 11.841 -6.830 10.730
548 HH11 ARG 29 HH11 ARG 29 11.394 -4.726 13.507
549 HH12 ARG 29 HH12 ARG 29 12.270 -5.769 14.588
550 HH21 ARG 29 HH21 ARG 29 13.006 -8.188 12.163
551 HH22 ARG 29 HH22 ARG 29 13.203 -7.715 13.825
552 H LEU 30 H LEU 30 12.158 -1.837 7.045
553 HA LEU 30 HA LEU 30 14.896 -2.222 6.450
554 HB2 LEU 30 HB2 LEU 30 13.116 -2.164 4.746
555 HB3 LEU 30 HB3 LEU 30 12.857 -0.465 5.086
556 HG LEU 30 HG LEU 30 15.126 0.044 4.298
557 HD11 LEU 30 HD11 LEU 30 16.446 -1.677 3.170
558 HD12 LEU 30 HD12 LEU 30 15.252 -2.894 3.621
559 HD13 LEU 30 HD13 LEU 30 16.193 -2.078 4.870
560 HD21 LEU 30 HD21 LEU 30 13.479 -1.565 2.353
561 HD22 LEU 30 HD22 LEU 30 14.739 -0.408 1.925
562 HD23 LEU 30 HD23 LEU 30 13.270 0.145 2.729
563 H LYS 31 H LYS 31 12.974 0.638 7.391
564 HA LYS 31 HA LYS 31 15.198 2.384 7.144
565 HB2 LYS 31 HB2 LYS 31 13.770 4.040 8.337
566 HB3 LYS 31 HB3 LYS 31 13.023 3.350 6.909
567 HG2 LYS 31 HG2 LYS 31 11.254 3.229 8.294
568 HG3 LYS 31 HG3 LYS 31 12.010 1.697 8.730
569 HD2 LYS 31 HD2 LYS 31 13.036 2.704 10.667
570 HD3 LYS 31 HD3 LYS 31 12.446 4.299 10.192
571 HE2 LYS 31 HE2 LYS 31 10.121 3.400 10.370
572 HE3 LYS 31 HE3 LYS 31 10.801 1.917 11.032
573 HZ1 LYS 31 HZ1 LYS 31 11.101 4.618 12.229
574 HZ2 LYS 31 HZ2 LYS 31 11.690 3.171 12.877
575 HZ3 LYS 31 HZ3 LYS 31 10.020 3.426 12.755
576 H LYS 32 H LYS 32 13.946 0.373 9.692
577 HA LYS 32 HA LYS 32 15.546 1.508 11.766
578 HB2 LYS 32 HB2 LYS 32 13.602 0.195 12.347
579 HB3 LYS 32 HB3 LYS 32 14.228 -1.200 11.480
580 HG2 LYS 32 HG2 LYS 32 14.513 -1.547 13.830
581 HG3 LYS 32 HG3 LYS 32 16.097 -1.316 13.094
582 HD2 LYS 32 HD2 LYS 32 15.886 1.126 13.778
583 HD3 LYS 32 HD3 LYS 32 14.522 0.617 14.776
584 HE2 LYS 32 HE2 LYS 32 17.367 -0.373 14.966
585 HE3 LYS 32 HE3 LYS 32 16.543 0.682 16.112
586 HZ1 LYS 32 HZ1 LYS 32 16.638 -1.631 16.858
587 HZ2 LYS 32 HZ2 LYS 32 15.746 -2.117 15.502
588 HZ3 LYS 32 HZ3 LYS 32 15.042 -1.099 16.665
589 H LEU 33 H LEU 33 16.097 -0.721 9.194
590 HA LEU 33 HA LEU 33 18.229 -2.215 10.273
591 HB2 LEU 33 HB2 LEU 33 16.733 -2.634 8.194
592 HB3 LEU 33 HB3 LEU 33 17.886 -1.633 7.344
593 HG LEU 33 HG LEU 33 18.239 -4.087 7.068
594 HD11 LEU 33 HD11 LEU 33 20.492 -2.578 8.376
595 HD12 LEU 33 HD12 LEU 33 20.077 -2.561 6.662
596 HD13 LEU 33 HD13 LEU 33 20.665 -4.046 7.413
597 HD21 LEU 33 HD21 LEU 33 18.964 -3.941 9.981
598 HD22 LEU 33 HD22 LEU 33 19.269 -5.318 8.925
599 HD23 LEU 33 HD23 LEU 33 17.612 -4.824 9.275
600 H VAL 34 H VAL 34 18.163 0.764 8.337
601 HA VAL 34 HA VAL 34 20.929 0.826 7.798
602 HB VAL 34 HB VAL 34 19.317 2.090 6.460
603 HG11 VAL 34 HG11 VAL 34 18.379 4.194 7.248
604 HG12 VAL 34 HG12 VAL 34 19.072 3.910 8.845
605 HG13 VAL 34 HG13 VAL 34 17.819 2.836 8.226
606 HG21 VAL 34 HG21 VAL 34 21.426 3.789 7.768
607 HG22 VAL 34 HG22 VAL 34 20.600 4.181 6.261
608 HG23 VAL 34 HG23 VAL 34 21.626 2.751 6.356
609 H GLY 35 H GLY 35 19.036 2.200 10.451
610 HA2 GLY 35 HA2 GLY 35 21.391 3.449 11.607
611 HA3 GLY 35 HA3 GLY 35 19.771 3.443 12.289
612 H GLU 36 H GLU 36 19.035 1.086 12.770
613 HA GLU 36 HA GLU 36 19.137 -0.665 14.170
614 HB2 GLU 36 HB2 GLU 36 20.642 -1.524 12.390
615 HB3 GLU 36 HB3 GLU 36 22.016 -0.901 13.295
616 HG2 GLU 36 HG2 GLU 36 21.704 -3.294 13.645
617 HG3 GLU 36 HG3 GLU 36 21.506 -2.384 15.142
618 H ARG 37 H ARG 37 18.895 0.975 15.858
619 HA ARG 37 HA ARG 37 20.945 0.451 17.877
620 HB2 ARG 37 HB2 ARG 37 19.639 3.134 17.375
621 HB3 ARG 37 HB3 ARG 37 20.531 2.736 18.835
622 HG2 ARG 37 HG2 ARG 37 22.534 2.323 17.461
623 HG3 ARG 37 HG3 ARG 37 21.626 2.834 16.037
624 HD2 ARG 37 HD2 ARG 37 21.258 5.024 17.085
625 HD3 ARG 37 HD3 ARG 37 22.209 4.505 18.477
626 HE ARG 37 HE ARG 37 24.001 4.133 16.603
627 HH11 ARG 37 HH11 ARG 37 21.728 6.772 16.930
628 HH12 ARG 37 HH12 ARG 37 22.744 7.924 16.114
629 HH21 ARG 37 HH21 ARG 37 25.335 5.625 15.517
630 HH22 ARG 37 HH22 ARG 37 24.797 7.261 15.286
Start of MODEL 5
1 HA2 GLY 0 HA2 GLY 0 -27.296 10.718 7.410
2 HA3 GLY 0 HA3 GLY 0 -25.723 11.021 6.685
3 H ALA 1 H ALA 1 -27.635 10.019 5.084
4 HA ALA 1 HA ALA 1 -26.710 7.263 4.654
5 HB1 ALA 1 HB1 ALA 1 -29.582 8.164 4.463
6 HB2 ALA 1 HB2 ALA 1 -28.905 7.119 5.713
7 HB3 ALA 1 HB3 ALA 1 -28.969 6.566 4.039
8 H GLY 2 H GLY 2 -25.986 6.972 2.654
9 HA2 GLY 2 HA2 GLY 2 -25.957 7.115 0.327
10 HA3 GLY 2 HA3 GLY 2 -27.249 8.305 0.404
11 H SER 3 H SER 3 -26.648 10.495 1.142
12 HA SER 3 HA SER 3 -24.590 11.579 -0.380
13 HB2 SER 3 HB2 SER 3 -25.755 12.793 2.137
14 HB3 SER 3 HB3 SER 3 -25.034 13.652 0.775
15 HG SER 3 HG SER 3 -26.803 13.364 -0.387
16 H SER 4 H SER 4 -24.672 11.033 3.131
17 HA SER 4 HA SER 4 -21.975 11.770 3.560
18 HB2 SER 4 HB2 SER 4 -23.623 9.944 5.311
19 HB3 SER 4 HB3 SER 4 -22.325 11.034 5.799
20 HG SER 4 HG SER 4 -23.801 12.741 4.898
21 H SER 5 H SER 5 -23.621 8.669 3.171
22 HA SER 5 HA SER 5 -21.592 6.934 3.867
23 HB2 SER 5 HB2 SER 5 -23.606 6.446 1.671
24 HB3 SER 5 HB3 SER 5 -22.854 5.248 2.725
25 HG SER 5 HG SER 5 -24.014 6.032 4.444
26 H LEU 6 H LEU 6 -22.355 8.202 0.626
27 HA LEU 6 HA LEU 6 -20.385 6.687 -0.706
28 HB2 LEU 6 HB2 LEU 6 -21.741 9.256 -1.519
29 HB3 LEU 6 HB3 LEU 6 -20.755 8.271 -2.582
30 HG LEU 6 HG LEU 6 -23.332 7.390 -1.279
31 HD11 LEU 6 HD11 LEU 6 -22.726 8.143 -4.132
32 HD12 LEU 6 HD12 LEU 6 -23.713 9.061 -2.997
33 HD13 LEU 6 HD13 LEU 6 -24.248 7.473 -3.543
34 HD21 LEU 6 HD21 LEU 6 -23.139 5.439 -2.750
35 HD22 LEU 6 HD22 LEU 6 -21.804 5.534 -1.603
36 HD23 LEU 6 HD23 LEU 6 -21.554 6.006 -3.284
37 H GLU 7 H GLU 7 -20.352 10.043 0.496
38 HA GLU 7 HA GLU 7 -17.744 10.563 -0.533
39 HB2 GLU 7 HB2 GLU 7 -19.277 12.025 1.621
40 HB3 GLU 7 HB3 GLU 7 -17.823 12.612 0.828
41 HG2 GLU 7 HG2 GLU 7 -20.519 12.152 -0.414
42 HG3 GLU 7 HG3 GLU 7 -19.719 13.695 -0.134
43 H ALA 8 H ALA 8 -18.992 9.326 2.493
44 HA ALA 8 HA ALA 8 -16.679 9.546 4.067
45 HB1 ALA 8 HB1 ALA 8 -17.638 7.720 5.405
46 HB2 ALA 8 HB2 ALA 8 -18.824 7.427 4.133
47 HB3 ALA 8 HB3 ALA 8 -18.837 8.953 5.017
48 H VAL 9 H VAL 9 -17.846 6.776 2.157
49 HA VAL 9 HA VAL 9 -15.521 5.211 2.479
50 HB VAL 9 HB VAL 9 -17.516 5.150 0.205
51 HG11 VAL 9 HG11 VAL 9 -15.572 3.049 1.152
52 HG12 VAL 9 HG12 VAL 9 -15.476 3.956 -0.358
53 HG13 VAL 9 HG13 VAL 9 -16.801 2.822 -0.093
54 HG21 VAL 9 HG21 VAL 9 -18.629 3.378 1.466
55 HG22 VAL 9 HG22 VAL 9 -18.599 4.887 2.377
56 HG23 VAL 9 HG23 VAL 9 -17.478 3.590 2.785
57 H ARG 10 H ARG 10 -16.490 7.608 0.105
58 HA ARG 10 HA ARG 10 -14.491 7.295 -1.806
59 HB2 ARG 10 HB2 ARG 10 -16.580 8.786 -1.801
60 HB3 ARG 10 HB3 ARG 10 -15.593 9.959 -0.946
61 HG2 ARG 10 HG2 ARG 10 -14.000 9.916 -2.852
62 HG3 ARG 10 HG3 ARG 10 -15.143 8.878 -3.713
63 HD2 ARG 10 HD2 ARG 10 -16.790 10.856 -2.924
64 HD3 ARG 10 HD3 ARG 10 -15.285 11.755 -3.095
65 HE ARG 10 HE ARG 10 -15.478 10.305 -5.400
66 HH11 ARG 10 HH11 ARG 10 -17.537 12.589 -3.727
67 HH12 ARG 10 HH12 ARG 10 -18.297 13.158 -5.185
68 HH21 ARG 10 HH21 ARG 10 -16.494 11.030 -7.322
69 HH22 ARG 10 HH22 ARG 10 -17.700 12.286 -7.224
70 H ARG 11 H ARG 11 -14.557 9.459 1.021
71 HA ARG 11 HA ARG 11 -11.925 10.441 0.658
72 HB2 ARG 11 HB2 ARG 11 -13.566 11.686 1.944
73 HB3 ARG 11 HB3 ARG 11 -13.698 10.375 3.109
74 HG2 ARG 11 HG2 ARG 11 -11.497 10.772 3.921
75 HG3 ARG 11 HG3 ARG 11 -11.156 11.905 2.612
76 HD2 ARG 11 HD2 ARG 11 -11.659 13.013 4.773
77 HD3 ARG 11 HD3 ARG 11 -12.758 13.473 3.475
78 HE ARG 11 HE ARG 11 -13.530 11.396 5.407
79 HH11 ARG 11 HH11 ARG 11 -14.028 14.539 3.953
80 HH12 ARG 11 HH12 ARG 11 -15.624 14.746 4.617
81 HH21 ARG 11 HH21 ARG 11 -15.631 11.662 6.302
82 HH22 ARG 11 HH22 ARG 11 -16.525 13.114 5.975
83 H LYS 12 H LYS 12 -13.272 7.731 2.443
84 HA LYS 12 HA LYS 12 -10.984 7.031 3.910
85 HB2 LYS 12 HB2 LYS 12 -13.140 6.065 4.442
86 HB3 LYS 12 HB3 LYS 12 -13.237 5.312 2.857
87 HG2 LYS 12 HG2 LYS 12 -12.663 3.647 4.476
88 HG3 LYS 12 HG3 LYS 12 -11.268 3.930 3.436
89 HD2 LYS 12 HD2 LYS 12 -10.458 3.777 5.663
90 HD3 LYS 12 HD3 LYS 12 -10.395 5.481 5.211
91 HE2 LYS 12 HE2 LYS 12 -12.414 5.931 6.444
92 HE3 LYS 12 HE3 LYS 12 -12.633 4.215 6.786
93 HZ1 LYS 12 HZ1 LYS 12 -10.482 5.981 7.810
94 HZ2 LYS 12 HZ2 LYS 12 -10.486 4.299 8.001
95 HZ3 LYS 12 HZ3 LYS 12 -11.714 5.232 8.704
96 H ILE 13 H ILE 13 -12.156 5.722 0.784
97 HA ILE 13 HA ILE 13 -9.881 4.080 0.420
98 HB ILE 13 HB ILE 13 -10.597 3.812 -1.913
99 HG12 ILE 13 HG12 ILE 13 -12.770 5.809 -1.227
100 HG13 ILE 13 HG13 ILE 13 -11.402 6.123 -2.291
101 HG21 ILE 13 HG21 ILE 13 -12.823 3.638 0.112
102 HG22 ILE 13 HG22 ILE 13 -11.582 2.421 -0.189
103 HG23 ILE 13 HG23 ILE 13 -12.780 2.787 -1.433
104 HD11 ILE 13 HD11 ILE 13 -13.565 4.087 -2.755
105 HD12 ILE 13 HD12 ILE 13 -12.209 4.416 -3.833
106 HD13 ILE 13 HD13 ILE 13 -13.430 5.657 -3.545
107 H ARG 14 H ARG 14 -10.591 7.398 -0.534
108 HA ARG 14 HA ARG 14 -8.384 7.783 -2.232
109 HB2 ARG 14 HB2 ARG 14 -10.145 9.445 -2.135
110 HB3 ARG 14 HB3 ARG 14 -9.815 9.756 -0.435
111 HG2 ARG 14 HG2 ARG 14 -8.892 11.529 -1.781
112 HG3 ARG 14 HG3 ARG 14 -7.583 10.604 -1.045
113 HD2 ARG 14 HD2 ARG 14 -7.629 9.273 -3.285
114 HD3 ARG 14 HD3 ARG 14 -8.473 10.691 -3.901
115 HE ARG 14 HE ARG 14 -5.874 10.998 -2.571
116 HH11 ARG 14 HH11 ARG 14 -7.907 11.382 -5.397
117 HH12 ARG 14 HH12 ARG 14 -6.689 12.228 -6.310
118 HH21 ARG 14 HH21 ARG 14 -4.259 12.060 -3.765
119 HH22 ARG 14 HH22 ARG 14 -4.607 12.595 -5.385
120 H SER 15 H SER 15 -8.731 8.143 1.275
121 HA SER 15 HA SER 15 -6.101 9.049 1.746
122 HB2 SER 15 HB2 SER 15 -7.934 7.529 3.615
123 HB3 SER 15 HB3 SER 15 -6.534 8.491 4.088
124 HG SER 15 HG SER 15 -9.001 9.358 3.007
125 H LEU 16 H LEU 16 -7.556 5.822 1.680
126 HA LEU 16 HA LEU 16 -5.273 4.379 2.474
127 HB2 LEU 16 HB2 LEU 16 -7.576 3.550 0.705
128 HB3 LEU 16 HB3 LEU 16 -6.379 2.447 1.357
129 HG LEU 16 HG LEU 16 -8.330 4.085 2.976
130 HD11 LEU 16 HD11 LEU 16 -8.219 1.122 2.425
131 HD12 LEU 16 HD12 LEU 16 -9.391 2.256 1.757
132 HD13 LEU 16 HD13 LEU 16 -9.362 1.938 3.492
133 HD21 LEU 16 HD21 LEU 16 -6.268 3.790 4.192
134 HD22 LEU 16 HD22 LEU 16 -6.251 2.067 3.815
135 HD23 LEU 16 HD23 LEU 16 -7.502 2.728 4.869
136 H GLN 17 H GLN 17 -6.454 5.329 -0.741
137 HA GLN 17 HA GLN 17 -4.403 4.069 -2.212
138 HB2 GLN 17 HB2 GLN 17 -6.150 6.446 -2.857
139 HB3 GLN 17 HB3 GLN 17 -5.024 5.738 -4.009
140 HG2 GLN 17 HG2 GLN 17 -6.212 3.624 -3.900
141 HG3 GLN 17 HG3 GLN 17 -7.311 4.287 -2.693
142 HE21 GLN 17 HE21 GLN 17 -9.094 3.886 -3.986
143 HE22 GLN 17 HE22 GLN 17 -9.451 4.815 -5.401
144 H GLU 18 H GLU 18 -4.715 7.368 -0.957
145 HA GLU 18 HA GLU 18 -2.328 8.422 -1.970
146 HB2 GLU 18 HB2 GLU 18 -4.296 9.591 -0.769
147 HB3 GLU 18 HB3 GLU 18 -3.463 9.167 0.718
148 HG2 GLU 18 HG2 GLU 18 -2.872 11.398 0.165
149 HG3 GLU 18 HG3 GLU 18 -1.464 10.381 -0.143
150 H GLN 19 H GLN 19 -3.031 6.834 1.125
151 HA GLN 19 HA GLN 19 -0.477 6.890 2.238
152 HB2 GLN 19 HB2 GLN 19 -2.541 6.180 3.427
153 HB3 GLN 19 HB3 GLN 19 -2.542 4.691 2.493
154 HG2 GLN 19 HG2 GLN 19 -0.200 4.316 3.459
155 HG3 GLN 19 HG3 GLN 19 -0.627 5.576 4.616
156 HE21 GLN 19 HE21 GLN 19 -2.265 5.176 6.128
157 HE22 GLN 19 HE22 GLN 19 -2.820 3.574 6.462
158 H ASN 20 H ASN 20 -2.006 4.443 0.173
159 HA ASN 20 HA ASN 20 0.047 2.577 0.079
160 HB2 ASN 20 HB2 ASN 20 -2.272 3.246 -1.632
161 HB3 ASN 20 HB3 ASN 20 -0.988 2.339 -2.419
162 HD21 ASN 20 HD21 ASN 20 -3.369 2.319 0.126
163 HD22 ASN 20 HD22 ASN 20 -3.352 0.608 0.389
164 H TYR 21 H TYR 21 -0.513 5.350 -2.083
165 HA TYR 21 HA TYR 21 1.660 4.927 -3.792
166 HB2 TYR 21 HB2 TYR 21 0.445 7.558 -2.916
167 HB3 TYR 21 HB3 TYR 21 1.538 7.358 -4.279
168 HD1 TYR 21 HD1 TYR 21 0.426 4.836 -5.458
169 HD2 TYR 21 HD2 TYR 21 -1.516 8.303 -3.928
170 HE1 TYR 21 HE1 TYR 21 -1.502 4.401 -6.923
171 HE2 TYR 21 HE2 TYR 21 -3.445 7.875 -5.391
172 HH TYR 21 HH TYR 21 -3.910 6.705 -7.518
173 H HIS 22 H HIS 22 1.448 6.760 -0.764
174 HA HIS 22 HA HIS 22 4.148 7.654 -0.897
175 HB2 HIS 22 HB2 HIS 22 2.204 8.702 0.424
176 HB3 HIS 22 HB3 HIS 22 2.555 7.487 1.648
177 HD1 HIS 22 HD1 HIS 22 4.453 7.965 3.231
178 HD2 HIS 22 HD2 HIS 22 4.387 10.524 -0.050
179 HE1 HIS 22 HE1 HIS 22 6.191 9.724 3.701
180 HE2 HIS 22 HE2 HIS 22 6.093 11.298 1.725
181 H LEU 23 H LEU 23 2.568 4.861 0.546
182 HA LEU 23 HA LEU 23 4.789 4.020 2.103
183 HB2 LEU 23 HB2 LEU 23 2.455 2.494 0.958
184 HB3 LEU 23 HB3 LEU 23 3.663 1.760 1.992
185 HG LEU 23 HG LEU 23 1.809 4.008 2.769
186 HD11 LEU 23 HD11 LEU 23 0.666 1.874 2.550
187 HD12 LEU 23 HD12 LEU 23 0.804 2.335 4.248
188 HD13 LEU 23 HD13 LEU 23 1.875 1.104 3.577
189 HD21 LEU 23 HD21 LEU 23 3.864 2.508 4.392
190 HD22 LEU 23 HD22 LEU 23 2.712 3.684 5.027
191 HD23 LEU 23 HD23 LEU 23 3.962 4.196 3.892
192 H GLU 24 H GLU 24 3.732 3.325 -1.190
193 HA GLU 24 HA GLU 24 5.696 1.388 -1.775
194 HB2 GLU 24 HB2 GLU 24 4.141 3.252 -3.571
195 HB3 GLU 24 HB3 GLU 24 5.210 1.992 -4.176
196 HG2 GLU 24 HG2 GLU 24 3.858 0.299 -3.059
197 HG3 GLU 24 HG3 GLU 24 2.792 1.556 -2.434
198 H ASN 25 H ASN 25 5.647 4.919 -2.302
199 HA ASN 25 HA ASN 25 8.295 4.859 -3.401
200 HB2 ASN 25 HB2 ASN 25 8.186 7.253 -3.533
201 HB3 ASN 25 HB3 ASN 25 6.645 6.598 -4.052
202 HD21 ASN 25 HD21 ASN 25 5.356 8.263 -3.654
203 HD22 ASN 25 HD22 ASN 25 5.100 8.973 -2.104
204 H GLU 26 H GLU 26 6.996 4.950 -0.240
205 HA GLU 26 HA GLU 26 9.168 6.138 1.125
206 HB2 GLU 26 HB2 GLU 26 6.867 5.631 2.066
207 HB3 GLU 26 HB3 GLU 26 7.374 3.955 2.193
208 HG2 GLU 26 HG2 GLU 26 7.695 4.860 4.322
209 HG3 GLU 26 HG3 GLU 26 9.304 4.797 3.603
210 H VAL 27 H VAL 27 8.308 2.696 0.679
211 HA VAL 27 HA VAL 27 10.756 1.719 1.695
212 HB VAL 27 HB VAL 27 8.745 0.310 1.569
213 HG11 VAL 27 HG11 VAL 27 9.209 0.285 -1.408
214 HG12 VAL 27 HG12 VAL 27 7.860 1.049 -0.570
215 HG13 VAL 27 HG13 VAL 27 8.039 -0.705 -0.533
216 HG21 VAL 27 HG21 VAL 27 11.087 -0.788 0.021
217 HG22 VAL 27 HG22 VAL 27 9.827 -1.747 0.800
218 HG23 VAL 27 HG23 VAL 27 10.911 -0.755 1.776
219 H ALA 28 H ALA 28 9.706 2.667 -1.529
220 HA ALA 28 HA ALA 28 11.925 1.737 -2.981
221 HB1 ALA 28 HB1 ALA 28 9.879 2.574 -4.044
222 HB2 ALA 28 HB2 ALA 28 11.318 3.386 -4.665
223 HB3 ALA 28 HB3 ALA 28 10.274 4.207 -3.505
224 H ARG 29 H ARG 29 11.373 4.795 -1.271
225 HA ARG 29 HA ARG 29 13.764 6.094 -1.913
226 HB2 ARG 29 HB2 ARG 29 11.670 6.360 0.111
227 HB3 ARG 29 HB3 ARG 29 13.250 6.842 0.706
228 HG2 ARG 29 HG2 ARG 29 11.948 8.714 -0.197
229 HG3 ARG 29 HG3 ARG 29 13.470 8.470 -1.055
230 HD2 ARG 29 HD2 ARG 29 12.383 7.525 -2.916
231 HD3 ARG 29 HD3 ARG 29 10.873 7.307 -2.027
232 HE ARG 29 HE ARG 29 10.498 9.653 -2.169
233 HH11 ARG 29 HH11 ARG 29 13.289 8.567 -4.010
234 HH12 ARG 29 HH12 ARG 29 13.293 9.960 -5.053
235 HH21 ARG 29 HH21 ARG 29 10.514 11.471 -3.507
236 HH22 ARG 29 HH22 ARG 29 11.718 11.626 -4.756
237 H LEU 30 H LEU 30 12.982 4.058 0.890
238 HA LEU 30 HA LEU 30 15.501 4.228 2.109
239 HB2 LEU 30 HB2 LEU 30 13.180 2.378 2.349
240 HB3 LEU 30 HB3 LEU 30 14.696 1.908 3.092
241 HG LEU 30 HG LEU 30 14.680 4.004 4.411
242 HD11 LEU 30 HD11 LEU 30 12.629 5.336 4.536
243 HD12 LEU 30 HD12 LEU 30 11.945 4.400 3.205
244 HD13 LEU 30 HD13 LEU 30 13.362 5.414 2.933
245 HD21 LEU 30 HD21 LEU 30 12.196 2.319 4.686
246 HD22 LEU 30 HD22 LEU 30 12.891 3.351 5.936
247 HD23 LEU 30 HD23 LEU 30 13.784 1.945 5.356
248 H LYS 31 H LYS 31 14.230 1.797 -0.168
249 HA LYS 31 HA LYS 31 16.587 0.194 0.069
250 HB2 LYS 31 HB2 LYS 31 15.651 -1.253 -1.565
251 HB3 LYS 31 HB3 LYS 31 14.334 -0.722 -0.533
252 HG2 LYS 31 HG2 LYS 31 13.559 0.801 -2.222
253 HG3 LYS 31 HG3 LYS 31 14.955 0.439 -3.241
254 HD2 LYS 31 HD2 LYS 31 14.208 -1.934 -3.310
255 HD3 LYS 31 HD3 LYS 31 12.755 -1.456 -2.433
256 HE2 LYS 31 HE2 LYS 31 12.067 -0.027 -4.237
257 HE3 LYS 31 HE3 LYS 31 13.587 -0.302 -5.090
258 HZ1 LYS 31 HZ1 LYS 31 11.500 -2.342 -4.524
259 HZ2 LYS 31 HZ2 LYS 31 12.982 -2.649 -5.289
260 HZ3 LYS 31 HZ3 LYS 31 11.836 -1.641 -6.032
261 H LYS 32 H LYS 32 15.675 2.877 -1.931
262 HA LYS 32 HA LYS 32 17.757 2.401 -3.872
263 HB2 LYS 32 HB2 LYS 32 15.672 3.642 -4.435
264 HB3 LYS 32 HB3 LYS 32 16.176 4.930 -3.348
265 HG2 LYS 32 HG2 LYS 32 16.656 5.488 -5.672
266 HG3 LYS 32 HG3 LYS 32 18.140 5.342 -4.730
267 HD2 LYS 32 HD2 LYS 32 18.379 3.016 -5.580
268 HD3 LYS 32 HD3 LYS 32 16.983 3.294 -6.619
269 HE2 LYS 32 HE2 LYS 32 19.522 4.913 -6.681
270 HE3 LYS 32 HE3 LYS 32 19.154 3.585 -7.776
271 HZ1 LYS 32 HZ1 LYS 32 17.156 4.858 -8.473
272 HZ2 LYS 32 HZ2 LYS 32 18.625 5.622 -8.854
273 HZ3 LYS 32 HZ3 LYS 32 17.703 6.166 -7.541
274 H LEU 33 H LEU 33 17.381 4.035 -0.849
275 HA LEU 33 HA LEU 33 19.770 5.606 -1.025
276 HB2 LEU 33 HB2 LEU 33 17.637 5.845 0.515
277 HB3 LEU 33 HB3 LEU 33 18.542 4.795 1.582
278 HG LEU 33 HG LEU 33 18.780 7.157 2.189
279 HD11 LEU 33 HD11 LEU 33 21.323 5.927 1.146
280 HD12 LEU 33 HD12 LEU 33 20.601 5.659 2.733
281 HD13 LEU 33 HD13 LEU 33 21.222 7.253 2.304
282 HD21 LEU 33 HD21 LEU 33 18.528 8.098 -0.054
283 HD22 LEU 33 HD22 LEU 33 20.116 7.469 -0.490
284 HD23 LEU 33 HD23 LEU 33 19.969 8.703 0.760
285 H VAL 34 H VAL 34 18.887 2.609 0.711
286 HA VAL 34 HA VAL 34 21.580 2.149 1.590
287 HB VAL 34 HB VAL 34 19.601 1.347 2.863
288 HG11 VAL 34 HG11 VAL 34 19.337 -0.645 0.616
289 HG12 VAL 34 HG12 VAL 34 18.183 0.618 1.044
290 HG13 VAL 34 HG13 VAL 34 18.476 -0.723 2.152
291 HG21 VAL 34 HG21 VAL 34 21.790 0.383 3.268
292 HG22 VAL 34 HG22 VAL 34 21.523 -0.804 1.991
293 HG23 VAL 34 HG23 VAL 34 20.536 -0.841 3.453
294 H GLY 35 H GLY 35 19.671 1.252 -1.171
295 HA2 GLY 35 HA2 GLY 35 21.365 -0.880 -2.053
296 HA3 GLY 35 HA3 GLY 35 20.116 -0.078 -2.998
297 H GLU 36 H GLU 36 21.432 2.545 -2.293
298 HA GLU 36 HA GLU 36 22.882 4.024 -3.207
299 HB2 GLU 36 HB2 GLU 36 24.657 1.601 -3.591
300 HB3 GLU 36 HB3 GLU 36 25.175 3.282 -3.666
301 HG2 GLU 36 HG2 GLU 36 24.599 3.572 -1.314
302 HG3 GLU 36 HG3 GLU 36 24.063 1.895 -1.233
303 H ARG 37 H ARG 37 24.743 3.551 -5.396
304 HA ARG 37 HA ARG 37 22.766 3.200 -7.551
305 HB2 ARG 37 HB2 ARG 37 25.421 4.642 -7.674
306 HB3 ARG 37 HB3 ARG 37 24.176 4.617 -8.917
307 HG2 ARG 37 HG2 ARG 37 22.675 5.863 -7.481
308 HG3 ARG 37 HG3 ARG 37 23.864 5.826 -6.176
309 HD2 ARG 37 HD2 ARG 37 24.081 7.227 -8.832
310 HD3 ARG 37 HD3 ARG 37 24.018 7.960 -7.230
311 HE ARG 37 HE ARG 37 26.315 6.694 -8.503
312 HH11 ARG 37 HH11 ARG 37 24.939 8.032 -5.564
313 HH12 ARG 37 HH12 ARG 37 26.480 8.253 -4.793
314 HH21 ARG 37 HH21 ARG 37 28.335 7.014 -7.509
315 HH22 ARG 37 HH22 ARG 37 28.423 7.704 -5.916
316 HA2 GLY 0 HA2 GLY 0 -25.413 -11.589 0.971
317 HA3 GLY 0 HA3 GLY 0 -27.164 -11.646 0.831
318 H ALA 1 H ALA 1 -28.226 -9.897 0.131
319 HA ALA 1 HA ALA 1 -28.620 -7.843 -0.751
320 HB1 ALA 1 HB1 ALA 1 -26.601 -6.939 1.305
321 HB2 ALA 1 HB2 ALA 1 -28.338 -7.111 1.557
322 HB3 ALA 1 HB3 ALA 1 -27.727 -5.894 0.436
323 H GLY 2 H GLY 2 -26.405 -9.517 -1.826
324 HA2 GLY 2 HA2 GLY 2 -25.548 -8.173 -3.986
325 HA3 GLY 2 HA3 GLY 2 -24.411 -7.637 -2.753
326 H SER 3 H SER 3 -24.131 -9.360 -5.207
327 HA SER 3 HA SER 3 -23.025 -11.739 -3.876
328 HB2 SER 3 HB2 SER 3 -23.249 -12.788 -6.199
329 HB3 SER 3 HB3 SER 3 -24.749 -12.477 -5.320
330 HG SER 3 HG SER 3 -24.724 -11.802 -7.574
331 H SER 4 H SER 4 -22.484 -10.328 -7.093
332 HA SER 4 HA SER 4 -19.692 -10.818 -6.977
333 HB2 SER 4 HB2 SER 4 -21.257 -9.067 -8.889
334 HB3 SER 4 HB3 SER 4 -19.624 -9.683 -9.141
335 HG SER 4 HG SER 4 -20.881 -11.112 -10.190
336 H SER 5 H SER 5 -21.780 -8.071 -6.419
337 HA SER 5 HA SER 5 -19.782 -6.104 -6.200
338 HB2 SER 5 HB2 SER 5 -21.658 -4.953 -4.831
339 HB3 SER 5 HB3 SER 5 -21.976 -5.315 -6.528
340 HG SER 5 HG SER 5 -23.711 -5.971 -5.178
341 H LEU 6 H LEU 6 -20.860 -8.633 -4.142
342 HA LEU 6 HA LEU 6 -19.795 -7.447 -1.737
343 HB2 LEU 6 HB2 LEU 6 -21.838 -8.874 -1.730
344 HB3 LEU 6 HB3 LEU 6 -20.854 -10.233 -2.235
345 HG LEU 6 HG LEU 6 -19.574 -10.064 -0.124
346 HD11 LEU 6 HD11 LEU 6 -19.890 -7.701 0.328
347 HD12 LEU 6 HD12 LEU 6 -20.451 -8.671 1.690
348 HD13 LEU 6 HD13 LEU 6 -21.617 -7.961 0.573
349 HD21 LEU 6 HD21 LEU 6 -21.460 -11.597 -0.313
350 HD22 LEU 6 HD22 LEU 6 -22.557 -10.323 0.215
351 HD23 LEU 6 HD23 LEU 6 -21.330 -10.943 1.319
352 H GLU 7 H GLU 7 -19.206 -10.444 -3.560
353 HA GLU 7 HA GLU 7 -16.928 -11.266 -2.224
354 HB2 GLU 7 HB2 GLU 7 -17.837 -11.771 -5.059
355 HB3 GLU 7 HB3 GLU 7 -16.489 -12.611 -4.308
356 HG2 GLU 7 HG2 GLU 7 -19.263 -12.623 -3.164
357 HG3 GLU 7 HG3 GLU 7 -18.692 -13.820 -4.325
358 H ALA 8 H ALA 8 -17.033 -9.704 -5.431
359 HA ALA 8 HA ALA 8 -14.276 -9.661 -5.802
360 HB1 ALA 8 HB1 ALA 8 -14.701 -8.135 -7.642
361 HB2 ALA 8 HB2 ALA 8 -16.330 -7.830 -7.035
362 HB3 ALA 8 HB3 ALA 8 -15.892 -9.435 -7.625
363 H VAL 9 H VAL 9 -16.431 -7.016 -4.788
364 HA VAL 9 HA VAL 9 -14.449 -5.071 -4.584
365 HB VAL 9 HB VAL 9 -17.081 -5.248 -3.105
366 HG11 VAL 9 HG11 VAL 9 -15.271 -2.869 -3.516
367 HG12 VAL 9 HG12 VAL 9 -15.533 -3.709 -1.990
368 HG13 VAL 9 HG13 VAL 9 -16.862 -2.840 -2.758
369 HG21 VAL 9 HG21 VAL 9 -17.863 -3.703 -4.842
370 HG22 VAL 9 HG22 VAL 9 -17.335 -5.244 -5.521
371 HG23 VAL 9 HG23 VAL 9 -16.297 -3.821 -5.642
372 H ARG 10 H ARG 10 -15.727 -7.360 -2.190
373 HA ARG 10 HA ARG 10 -14.373 -6.424 0.056
374 HB2 ARG 10 HB2 ARG 10 -16.116 -8.199 0.102
375 HB3 ARG 10 HB3 ARG 10 -14.965 -9.310 -0.629
376 HG2 ARG 10 HG2 ARG 10 -13.471 -8.728 1.401
377 HG3 ARG 10 HG3 ARG 10 -14.972 -8.140 2.123
378 HD2 ARG 10 HD2 ARG 10 -14.442 -10.919 1.084
379 HD3 ARG 10 HD3 ARG 10 -14.562 -10.439 2.776
380 HE ARG 10 HE ARG 10 -16.931 -9.896 2.311
381 HH11 ARG 10 HH11 ARG 10 -15.222 -12.101 0.174
382 HH12 ARG 10 HH12 ARG 10 -16.674 -12.899 -0.360
383 HH21 ARG 10 HH21 ARG 10 -18.820 -10.986 1.620
384 HH22 ARG 10 HH22 ARG 10 -18.694 -12.274 0.463
385 H ARG 11 H ARG 11 -13.398 -8.839 -2.356
386 HA ARG 11 HA ARG 11 -10.961 -9.523 -1.203
387 HB2 ARG 11 HB2 ARG 11 -12.007 -10.843 -2.976
388 HB3 ARG 11 HB3 ARG 11 -11.770 -9.531 -4.118
389 HG2 ARG 11 HG2 ARG 11 -10.138 -11.328 -4.418
390 HG3 ARG 11 HG3 ARG 11 -9.368 -9.801 -3.983
391 HD2 ARG 11 HD2 ARG 11 -9.941 -11.192 -1.577
392 HD3 ARG 11 HD3 ARG 11 -9.175 -12.330 -2.686
393 HE ARG 11 HE ARG 11 -7.631 -10.103 -2.878
394 HH11 ARG 11 HH11 ARG 11 -8.602 -12.222 -0.245
395 HH12 ARG 11 HH12 ARG 11 -7.240 -11.795 0.747
396 HH21 ARG 11 HH21 ARG 11 -5.853 -9.553 -1.572
397 HH22 ARG 11 HH22 ARG 11 -5.688 -10.251 0.017
398 H LYS 12 H LYS 12 -11.788 -6.916 -3.467
399 HA LYS 12 HA LYS 12 -9.112 -6.157 -3.937
400 HB2 LYS 12 HB2 LYS 12 -10.858 -5.496 -5.483
401 HB3 LYS 12 HB3 LYS 12 -11.654 -4.553 -4.229
402 HG2 LYS 12 HG2 LYS 12 -9.906 -2.958 -4.184
403 HG3 LYS 12 HG3 LYS 12 -8.852 -3.982 -5.159
404 HD2 LYS 12 HD2 LYS 12 -11.457 -2.831 -6.153
405 HD3 LYS 12 HD3 LYS 12 -9.891 -2.053 -6.382
406 HE2 LYS 12 HE2 LYS 12 -9.100 -4.106 -7.538
407 HE3 LYS 12 HE3 LYS 12 -10.730 -4.764 -7.405
408 HZ1 LYS 12 HZ1 LYS 12 -10.376 -3.777 -9.572
409 HZ2 LYS 12 HZ2 LYS 12 -9.962 -2.290 -8.868
410 HZ3 LYS 12 HZ3 LYS 12 -11.543 -2.888 -8.718
411 H ILE 13 H ILE 13 -11.595 -4.784 -1.742
412 HA ILE 13 HA ILE 13 -9.823 -2.834 -0.723
413 HB ILE 13 HB ILE 13 -11.474 -2.492 1.094
414 HG12 ILE 13 HG12 ILE 13 -13.750 -3.751 0.484
415 HG13 ILE 13 HG13 ILE 13 -12.627 -4.995 -0.046
416 HG21 ILE 13 HG21 ILE 13 -11.663 -1.309 -1.019
417 HG22 ILE 13 HG22 ILE 13 -13.255 -1.655 -0.346
418 HG23 ILE 13 HG23 ILE 13 -12.636 -2.623 -1.683
419 HD11 ILE 13 HD11 ILE 13 -11.623 -5.033 2.192
420 HD12 ILE 13 HD12 ILE 13 -13.348 -5.402 2.227
421 HD13 ILE 13 HD13 ILE 13 -12.778 -3.807 2.718
422 H ARG 14 H ARG 14 -10.546 -6.127 0.153
423 HA ARG 14 HA ARG 14 -9.230 -6.246 2.615
424 HB2 ARG 14 HB2 ARG 14 -10.450 -8.153 2.158
425 HB3 ARG 14 HB3 ARG 14 -9.945 -8.202 0.478
426 HG2 ARG 14 HG2 ARG 14 -9.019 -10.073 1.641
427 HG3 ARG 14 HG3 ARG 14 -7.721 -8.967 1.194
428 HD2 ARG 14 HD2 ARG 14 -7.859 -8.035 3.527
429 HD3 ARG 14 HD3 ARG 14 -8.955 -9.364 3.915
430 HE ARG 14 HE ARG 14 -6.308 -9.963 2.794
431 HH11 ARG 14 HH11 ARG 14 -8.525 -10.056 5.517
432 HH12 ARG 14 HH12 ARG 14 -7.568 -11.200 6.414
433 HH21 ARG 14 HH21 ARG 14 -5.087 -11.483 3.933
434 HH22 ARG 14 HH22 ARG 14 -5.597 -12.021 5.509
435 H SER 15 H SER 15 -8.057 -6.647 -0.699
436 HA SER 15 HA SER 15 -5.433 -7.363 -0.120
437 HB2 SER 15 HB2 SER 15 -6.435 -5.748 -2.479
438 HB3 SER 15 HB3 SER 15 -4.920 -6.647 -2.401
439 HG SER 15 HG SER 15 -7.565 -7.688 -2.347
440 H LEU 16 H LEU 16 -6.994 -4.219 -0.398
441 HA LEU 16 HA LEU 16 -4.701 -2.620 -0.235
442 HB2 LEU 16 HB2 LEU 16 -7.499 -2.023 0.731
443 HB3 LEU 16 HB3 LEU 16 -6.231 -0.836 0.489
444 HG LEU 16 HG LEU 16 -7.487 -2.513 -1.683
445 HD11 LEU 16 HD11 LEU 16 -7.812 0.404 -0.999
446 HD12 LEU 16 HD12 LEU 16 -9.030 -0.857 -0.802
447 HD13 LEU 16 HD13 LEU 16 -8.485 -0.403 -2.416
448 HD21 LEU 16 HD21 LEU 16 -5.478 -0.268 -1.825
449 HD22 LEU 16 HD22 LEU 16 -6.250 -1.051 -3.205
450 HD23 LEU 16 HD23 LEU 16 -5.164 -1.971 -2.163
451 H GLN 17 H GLN 17 -6.909 -3.833 2.266
452 HA GLN 17 HA GLN 17 -5.758 -2.488 4.418
453 HB2 GLN 17 HB2 GLN 17 -7.310 -5.077 4.338
454 HB3 GLN 17 HB3 GLN 17 -6.885 -4.230 5.820
455 HG2 GLN 17 HG2 GLN 17 -8.132 -2.255 4.992
456 HG3 GLN 17 HG3 GLN 17 -8.642 -3.209 3.600
457 HE21 GLN 17 HE21 GLN 17 -10.819 -3.008 4.158
458 HE22 GLN 17 HE22 GLN 17 -11.512 -3.851 5.505
459 H GLU 18 H GLU 18 -5.140 -5.797 3.211
460 HA GLU 18 HA GLU 18 -3.261 -6.359 5.258
461 HB2 GLU 18 HB2 GLU 18 -2.683 -8.343 3.902
462 HB3 GLU 18 HB3 GLU 18 -4.413 -8.187 4.164
463 HG2 GLU 18 HG2 GLU 18 -4.670 -7.283 1.913
464 HG3 GLU 18 HG3 GLU 18 -2.931 -7.442 1.654
465 H GLN 19 H GLN 19 -3.098 -4.832 2.146
466 HA GLN 19 HA GLN 19 -0.320 -5.049 1.722
467 HB2 GLN 19 HB2 GLN 19 -2.052 -4.405 0.007
468 HB3 GLN 19 HB3 GLN 19 -2.144 -2.830 0.779
469 HG2 GLN 19 HG2 GLN 19 -0.728 -2.741 -1.174
470 HG3 GLN 19 HG3 GLN 19 0.214 -2.451 0.284
471 HE21 GLN 19 HE21 GLN 19 1.710 -3.983 0.957
472 HE22 GLN 19 HE22 GLN 19 2.254 -5.262 -0.077
473 H ASN 20 H ASN 20 -2.364 -2.837 3.496
474 HA ASN 20 HA ASN 20 -0.651 -0.726 4.004
475 HB2 ASN 20 HB2 ASN 20 -2.851 -1.978 5.631
476 HB3 ASN 20 HB3 ASN 20 -1.909 -0.645 6.283
477 HD21 ASN 20 HD21 ASN 20 -2.577 -0.804 2.877
478 HD22 ASN 20 HD22 ASN 20 -3.718 0.491 2.854
479 H TYR 21 H TYR 21 -1.278 -3.370 6.283
480 HA TYR 21 HA TYR 21 0.718 -2.763 8.086
481 HB2 TYR 21 HB2 TYR 21 -0.477 -5.462 7.426
482 HB3 TYR 21 HB3 TYR 21 0.483 -5.113 8.859
483 HD1 TYR 21 HD1 TYR 21 -2.735 -4.496 7.175
484 HD2 TYR 21 HD2 TYR 21 -0.468 -3.948 10.734
485 HE1 TYR 21 HE1 TYR 21 -4.773 -3.796 8.359
486 HE2 TYR 21 HE2 TYR 21 -2.503 -3.242 11.926
487 HH TYR 21 HH TYR 21 -4.704 -2.324 11.438
488 H HIS 22 H HIS 22 0.819 -4.744 5.189
489 HA HIS 22 HA HIS 22 3.290 -5.978 5.612
490 HB2 HIS 22 HB2 HIS 22 1.404 -6.310 3.780
491 HB3 HIS 22 HB3 HIS 22 2.421 -5.211 2.857
492 HD1 HIS 22 HD1 HIS 22 5.166 -6.130 3.045
493 HD2 HIS 22 HD2 HIS 22 2.006 -8.844 3.206
494 HE1 HIS 22 HE1 HIS 22 6.136 -8.359 2.407
495 HE2 HIS 22 HE2 HIS 22 4.173 -9.939 2.327
496 H LEU 23 H LEU 23 2.451 -3.048 3.764
497 HA LEU 23 HA LEU 23 5.099 -2.491 2.978
498 HB2 LEU 23 HB2 LEU 23 2.672 -0.708 3.137
499 HB3 LEU 23 HB3 LEU 23 4.196 -0.235 2.410
500 HG LEU 23 HG LEU 23 2.431 -2.493 1.456
501 HD11 LEU 23 HD11 LEU 23 2.008 -1.051 -0.471
502 HD12 LEU 23 HD12 LEU 23 2.952 0.235 0.282
503 HD13 LEU 23 HD13 LEU 23 1.449 -0.306 1.027
504 HD21 LEU 23 HD21 LEU 23 3.948 -2.542 -0.474
505 HD22 LEU 23 HD22 LEU 23 4.779 -2.943 1.030
506 HD23 LEU 23 HD23 LEU 23 4.974 -1.344 0.313
507 H GLU 24 H GLU 24 3.108 -1.427 5.699
508 HA GLU 24 HA GLU 24 4.833 0.540 6.675
509 HB2 GLU 24 HB2 GLU 24 2.934 -1.265 8.183
510 HB3 GLU 24 HB3 GLU 24 3.732 0.137 8.875
511 HG2 GLU 24 HG2 GLU 24 2.603 1.514 7.093
512 HG3 GLU 24 HG3 GLU 24 1.655 0.078 6.710
513 H ASN 25 H ASN 25 4.756 -2.950 7.086
514 HA ASN 25 HA ASN 25 6.703 -3.098 9.118
515 HB2 ASN 25 HB2 ASN 25 5.165 -4.964 8.623
516 HB3 ASN 25 HB3 ASN 25 5.940 -5.184 7.059
517 HD21 ASN 25 HD21 ASN 25 6.318 -5.485 10.515
518 HD22 ASN 25 HD22 ASN 25 7.678 -6.555 10.466
519 H GLU 26 H GLU 26 6.866 -3.357 5.584
520 HA GLU 26 HA GLU 26 9.504 -3.977 5.213
521 HB2 GLU 26 HB2 GLU 26 7.461 -2.565 3.643
522 HB3 GLU 26 HB3 GLU 26 9.114 -2.132 3.230
523 HG2 GLU 26 HG2 GLU 26 8.453 -3.885 1.788
524 HG3 GLU 26 HG3 GLU 26 9.598 -4.559 2.945
525 H VAL 27 H VAL 27 8.107 -0.782 5.803
526 HA VAL 27 HA VAL 27 10.386 0.763 5.484
527 HB VAL 27 HB VAL 27 8.170 1.229 7.492
528 HG11 VAL 27 HG11 VAL 27 8.769 3.596 7.255
529 HG12 VAL 27 HG12 VAL 27 10.110 3.147 6.202
530 HG13 VAL 27 HG13 VAL 27 10.105 2.640 7.891
531 HG21 VAL 27 HG21 VAL 27 7.115 2.582 5.741
532 HG22 VAL 27 HG22 VAL 27 7.272 0.894 5.250
533 HG23 VAL 27 HG23 VAL 27 8.383 2.105 4.612
534 H ALA 28 H ALA 28 9.066 -0.559 8.530
535 HA ALA 28 HA ALA 28 11.224 0.256 10.135
536 HB1 ALA 28 HB1 ALA 28 9.241 -1.971 10.594
537 HB2 ALA 28 HB2 ALA 28 9.038 -0.285 11.068
538 HB3 ALA 28 HB3 ALA 28 10.300 -1.265 11.814
539 H ARG 29 H ARG 29 10.457 -2.730 8.487
540 HA ARG 29 HA ARG 29 12.373 -4.460 9.397
541 HB2 ARG 29 HB2 ARG 29 10.454 -4.880 7.822
542 HB3 ARG 29 HB3 ARG 29 11.421 -4.171 6.544
543 HG2 ARG 29 HG2 ARG 29 13.042 -5.956 6.737
544 HG3 ARG 29 HG3 ARG 29 12.146 -6.646 8.099
545 HD2 ARG 29 HD2 ARG 29 10.174 -6.884 6.613
546 HD3 ARG 29 HD3 ARG 29 11.154 -6.309 5.269
547 HE ARG 29 HE ARG 29 12.556 -8.439 6.197
548 HH11 ARG 29 HH11 ARG 29 9.224 -7.947 5.244
549 HH12 ARG 29 HH12 ARG 29 9.002 -9.574 4.675
550 HH21 ARG 29 HH21 ARG 29 12.275 -10.604 5.439
551 HH22 ARG 29 HH22 ARG 29 10.740 -11.079 4.764
552 H LEU 30 H LEU 30 12.643 -1.976 6.883
553 HA LEU 30 HA LEU 30 15.362 -2.739 6.289
554 HB2 LEU 30 HB2 LEU 30 13.623 -1.966 4.591
555 HB3 LEU 30 HB3 LEU 30 13.849 -0.352 5.233
556 HG LEU 30 HG LEU 30 16.176 -1.921 4.152
557 HD11 LEU 30 HD11 LEU 30 14.279 -0.163 2.599
558 HD12 LEU 30 HD12 LEU 30 14.495 -1.903 2.397
559 HD13 LEU 30 HD13 LEU 30 15.812 -0.797 2.002
560 HD21 LEU 30 HD21 LEU 30 16.676 0.087 5.453
561 HD22 LEU 30 HD22 LEU 30 15.615 1.033 4.410
562 HD23 LEU 30 HD23 LEU 30 17.086 0.317 3.752
563 H LYS 31 H LYS 31 13.680 0.099 7.681
564 HA LYS 31 HA LYS 31 15.923 1.738 7.766
565 HB2 LYS 31 HB2 LYS 31 14.680 3.183 9.264
566 HB3 LYS 31 HB3 LYS 31 13.632 2.600 7.983
567 HG2 LYS 31 HG2 LYS 31 12.652 0.975 9.517
568 HG3 LYS 31 HG3 LYS 31 13.714 1.548 10.804
569 HD2 LYS 31 HD2 LYS 31 12.686 3.735 10.729
570 HD3 LYS 31 HD3 LYS 31 11.701 3.259 9.344
571 HE2 LYS 31 HE2 LYS 31 10.659 1.503 10.772
572 HE3 LYS 31 HE3 LYS 31 11.557 2.153 12.144
573 HZ1 LYS 31 HZ1 LYS 31 9.200 2.945 11.875
574 HZ2 LYS 31 HZ2 LYS 31 9.732 3.820 10.517
575 HZ3 LYS 31 HZ3 LYS 31 10.374 4.158 12.046
576 H LYS 32 H LYS 32 14.701 -0.540 10.201
577 HA LYS 32 HA LYS 32 16.402 0.273 12.279
578 HB2 LYS 32 HB2 LYS 32 14.515 -1.209 12.697
579 HB3 LYS 32 HB3 LYS 32 15.249 -2.467 11.710
580 HG2 LYS 32 HG2 LYS 32 15.543 -2.942 14.070
581 HG3 LYS 32 HG3 LYS 32 17.101 -2.631 13.301
582 HD2 LYS 32 HD2 LYS 32 16.744 -0.198 14.092
583 HD3 LYS 32 HD3 LYS 32 15.544 -0.892 15.184
584 HE2 LYS 32 HE2 LYS 32 18.450 -1.701 15.020
585 HE3 LYS 32 HE3 LYS 32 17.747 -0.652 16.248
586 HZ1 LYS 32 HZ1 LYS 32 16.310 -2.514 16.914
587 HZ2 LYS 32 HZ2 LYS 32 17.958 -2.864 17.103
588 HZ3 LYS 32 HZ3 LYS 32 17.100 -3.521 15.796
589 H LEU 33 H LEU 33 16.961 -1.764 9.495
590 HA LEU 33 HA LEU 33 19.447 -2.813 10.533
591 HB2 LEU 33 HB2 LEU 33 17.752 -3.992 8.967
592 HB3 LEU 33 HB3 LEU 33 18.492 -3.052 7.691
593 HG LEU 33 HG LEU 33 19.323 -5.417 7.932
594 HD11 LEU 33 HD11 LEU 33 21.381 -3.242 8.240
595 HD12 LEU 33 HD12 LEU 33 20.618 -3.743 6.731
596 HD13 LEU 33 HD13 LEU 33 21.670 -4.861 7.601
597 HD21 LEU 33 HD21 LEU 33 19.334 -5.549 10.352
598 HD22 LEU 33 HD22 LEU 33 20.579 -4.301 10.431
599 HD23 LEU 33 HD23 LEU 33 20.945 -5.867 9.707
600 H VAL 34 H VAL 34 18.399 -0.464 8.088
601 HA VAL 34 HA VAL 34 21.012 0.041 7.090
602 HB VAL 34 HB VAL 34 18.904 0.528 5.836
603 HG11 VAL 34 HG11 VAL 34 17.606 1.580 7.590
604 HG12 VAL 34 HG12 VAL 34 17.776 2.671 6.215
605 HG13 VAL 34 HG13 VAL 34 18.749 2.919 7.664
606 HG21 VAL 34 HG21 VAL 34 20.856 2.802 6.128
607 HG22 VAL 34 HG22 VAL 34 19.743 2.579 4.777
608 HG23 VAL 34 HG23 VAL 34 21.024 1.403 5.070
609 H GLY 35 H GLY 35 19.231 1.248 9.813
610 HA2 GLY 35 HA2 GLY 35 20.884 3.530 10.309
611 HA3 GLY 35 HA3 GLY 35 19.800 2.763 11.462
612 H GLU 36 H GLU 36 21.119 0.149 10.957
613 HA GLU 36 HA GLU 36 22.743 -1.177 11.778
614 HB2 GLU 36 HB2 GLU 36 24.429 1.308 11.487
615 HB3 GLU 36 HB3 GLU 36 25.067 -0.283 11.878
616 HG2 GLU 36 HG2 GLU 36 24.168 -1.132 9.748
617 HG3 GLU 36 HG3 GLU 36 23.639 0.502 9.349
618 H ARG 37 H ARG 37 24.532 -1.271 13.566
619 HA ARG 37 HA ARG 37 24.215 0.388 15.842
620 HB2 ARG 37 HB2 ARG 37 23.377 -1.614 17.291
621 HB3 ARG 37 HB3 ARG 37 22.215 -0.630 16.420
622 HG2 ARG 37 HG2 ARG 37 21.571 -2.898 16.174
623 HG3 ARG 37 HG3 ARG 37 22.205 -2.360 14.620
624 HD2 ARG 37 HD2 ARG 37 24.325 -3.466 15.091
625 HD3 ARG 37 HD3 ARG 37 23.723 -3.968 16.673
626 HE ARG 37 HE ARG 37 21.890 -5.009 14.996
627 HH11 ARG 37 HH11 ARG 37 25.393 -5.166 15.032
628 HH12 ARG 37 HH12 ARG 37 25.446 -6.724 14.252
629 HH21 ARG 37 HH21 ARG 37 21.979 -7.067 13.988
630 HH22 ARG 37 HH22 ARG 37 23.531 -7.801 13.698
Start of MODEL 6
1 HA2 GLY 0 HA2 GLY 0 -26.837 9.114 12.945
2 HA3 GLY 0 HA3 GLY 0 -28.272 8.403 12.223
3 H ALA 1 H ALA 1 -28.557 8.536 9.954
4 HA ALA 1 HA ALA 1 -25.991 8.601 8.544
5 HB1 ALA 1 HB1 ALA 1 -28.633 7.433 7.672
6 HB2 ALA 1 HB2 ALA 1 -27.326 6.541 8.452
7 HB3 ALA 1 HB3 ALA 1 -27.080 7.246 6.853
8 H GLY 2 H GLY 2 -26.965 8.848 5.950
9 HA2 GLY 2 HA2 GLY 2 -28.530 10.702 4.971
10 HA3 GLY 2 HA3 GLY 2 -27.435 11.744 5.875
11 H SER 3 H SER 3 -25.642 12.422 4.864
12 HA SER 3 HA SER 3 -24.773 11.002 2.460
13 HB2 SER 3 HB2 SER 3 -23.188 12.940 2.223
14 HB3 SER 3 HB3 SER 3 -24.889 13.404 2.219
15 HG SER 3 HG SER 3 -22.943 13.742 4.252
16 H SER 4 H SER 4 -24.367 10.796 5.667
17 HA SER 4 HA SER 4 -21.670 10.772 6.235
18 HB2 SER 4 HB2 SER 4 -23.527 10.615 7.892
19 HB3 SER 4 HB3 SER 4 -23.756 8.929 7.426
20 HG SER 4 HG SER 4 -21.730 10.123 8.910
21 H SER 5 H SER 5 -23.672 7.964 5.290
22 HA SER 5 HA SER 5 -21.636 6.063 5.363
23 HB2 SER 5 HB2 SER 5 -23.993 5.435 5.245
24 HB3 SER 5 HB3 SER 5 -24.123 6.133 3.632
25 HG SER 5 HG SER 5 -23.023 3.720 4.452
26 H LEU 6 H LEU 6 -22.856 7.914 2.580
27 HA LEU 6 HA LEU 6 -21.156 6.762 0.670
28 HB2 LEU 6 HB2 LEU 6 -23.198 8.006 0.116
29 HB3 LEU 6 HB3 LEU 6 -22.449 9.489 0.673
30 HG LEU 6 HG LEU 6 -20.753 9.270 -1.126
31 HD11 LEU 6 HD11 LEU 6 -21.150 7.689 -2.942
32 HD12 LEU 6 HD12 LEU 6 -22.487 6.980 -2.037
33 HD13 LEU 6 HD13 LEU 6 -20.840 6.856 -1.419
34 HD21 LEU 6 HD21 LEU 6 -22.254 9.894 -2.955
35 HD22 LEU 6 HD22 LEU 6 -22.716 10.671 -1.439
36 HD23 LEU 6 HD23 LEU 6 -23.628 9.282 -2.032
37 H GLU 7 H GLU 7 -20.837 9.766 2.550
38 HA GLU 7 HA GLU 7 -18.436 10.594 1.311
39 HB2 GLU 7 HB2 GLU 7 -19.998 12.059 2.616
40 HB3 GLU 7 HB3 GLU 7 -19.394 11.307 4.087
41 HG2 GLU 7 HG2 GLU 7 -18.268 13.381 3.803
42 HG3 GLU 7 HG3 GLU 7 -17.117 12.088 3.479
43 H ALA 8 H ALA 8 -19.113 8.686 4.201
44 HA ALA 8 HA ALA 8 -16.509 8.638 5.253
45 HB1 ALA 8 HB1 ALA 8 -17.251 6.802 6.619
46 HB2 ALA 8 HB2 ALA 8 -18.622 6.510 5.549
47 HB3 ALA 8 HB3 ALA 8 -18.546 7.994 6.499
48 H VAL 9 H VAL 9 -18.190 6.259 3.177
49 HA VAL 9 HA VAL 9 -15.920 4.546 3.035
50 HB VAL 9 HB VAL 9 -18.210 3.712 2.672
51 HG11 VAL 9 HG11 VAL 9 -19.347 4.061 0.541
52 HG12 VAL 9 HG12 VAL 9 -18.080 5.180 0.042
53 HG13 VAL 9 HG13 VAL 9 -19.125 5.584 1.405
54 HG21 VAL 9 HG21 VAL 9 -17.715 2.239 0.778
55 HG22 VAL 9 HG22 VAL 9 -16.328 2.409 1.855
56 HG23 VAL 9 HG23 VAL 9 -16.369 3.283 0.324
57 H ARG 10 H ARG 10 -17.084 7.216 1.095
58 HA ARG 10 HA ARG 10 -15.467 6.851 -1.171
59 HB2 ARG 10 HB2 ARG 10 -17.400 8.489 -0.878
60 HB3 ARG 10 HB3 ARG 10 -16.262 9.531 -0.034
61 HG2 ARG 10 HG2 ARG 10 -14.903 8.964 -2.324
62 HG3 ARG 10 HG3 ARG 10 -16.573 9.000 -2.886
63 HD2 ARG 10 HD2 ARG 10 -15.037 11.174 -1.490
64 HD3 ARG 10 HD3 ARG 10 -15.716 11.200 -3.114
65 HE ARG 10 HE ARG 10 -17.103 11.710 -0.620
66 HH11 ARG 10 HH11 ARG 10 -17.461 10.797 -3.996
67 HH12 ARG 10 HH12 ARG 10 -19.069 11.449 -4.127
68 HH21 ARG 10 HH21 ARG 10 -19.192 12.583 -0.802
69 HH22 ARG 10 HH22 ARG 10 -20.053 12.471 -2.313
70 H ARG 11 H ARG 11 -14.988 8.998 1.629
71 HA ARG 11 HA ARG 11 -12.361 9.739 0.866
72 HB2 ARG 11 HB2 ARG 11 -12.233 10.880 2.961
73 HB3 ARG 11 HB3 ARG 11 -13.874 11.066 2.360
74 HG2 ARG 11 HG2 ARG 11 -14.491 9.116 3.853
75 HG3 ARG 11 HG3 ARG 11 -12.897 9.310 4.589
76 HD2 ARG 11 HD2 ARG 11 -15.154 11.297 4.507
77 HD3 ARG 11 HD3 ARG 11 -14.448 10.525 5.923
78 HE ARG 11 HE ARG 11 -12.389 11.905 4.719
79 HH11 ARG 11 HH11 ARG 11 -15.515 12.709 6.101
80 HH12 ARG 11 HH12 ARG 11 -15.040 14.328 6.531
81 HH21 ARG 11 HH21 ARG 11 -11.765 13.996 5.276
82 HH22 ARG 11 HH22 ARG 11 -12.895 15.069 6.063
83 H LYS 12 H LYS 12 -13.665 7.067 2.632
84 HA LYS 12 HA LYS 12 -11.414 6.204 4.051
85 HB2 LYS 12 HB2 LYS 12 -13.805 5.290 4.120
86 HB3 LYS 12 HB3 LYS 12 -13.378 4.360 2.690
87 HG2 LYS 12 HG2 LYS 12 -13.061 2.872 4.441
88 HG3 LYS 12 HG3 LYS 12 -11.433 3.458 4.096
89 HD2 LYS 12 HD2 LYS 12 -11.790 3.416 6.489
90 HD3 LYS 12 HD3 LYS 12 -11.677 5.090 5.941
91 HE2 LYS 12 HE2 LYS 12 -14.105 5.277 5.970
92 HE3 LYS 12 HE3 LYS 12 -14.241 3.592 6.469
93 HZ1 LYS 12 HZ1 LYS 12 -14.480 5.077 8.346
94 HZ2 LYS 12 HZ2 LYS 12 -12.967 5.774 8.033
95 HZ3 LYS 12 HZ3 LYS 12 -13.069 4.152 8.517
96 H ILE 13 H ILE 13 -12.573 5.083 0.856
97 HA ILE 13 HA ILE 13 -10.180 3.644 0.342
98 HB ILE 13 HB ILE 13 -11.027 3.421 -1.990
99 HG12 ILE 13 HG12 ILE 13 -13.590 4.128 -2.080
100 HG13 ILE 13 HG13 ILE 13 -13.037 5.384 -0.982
101 HG21 ILE 13 HG21 ILE 13 -12.968 2.770 0.220
102 HG22 ILE 13 HG22 ILE 13 -11.602 1.786 -0.309
103 HG23 ILE 13 HG23 ILE 13 -12.974 2.046 -1.388
104 HD11 ILE 13 HD11 ILE 13 -11.394 6.102 -2.648
105 HD12 ILE 13 HD12 ILE 13 -13.043 6.173 -3.266
106 HD13 ILE 13 HD13 ILE 13 -11.979 4.854 -3.750
107 H ARG 14 H ARG 14 -11.194 6.915 -0.323
108 HA ARG 14 HA ARG 14 -9.258 7.608 -2.228
109 HB2 ARG 14 HB2 ARG 14 -10.712 9.214 -0.136
110 HB3 ARG 14 HB3 ARG 14 -9.542 9.956 -1.221
111 HG2 ARG 14 HG2 ARG 14 -11.983 8.441 -2.126
112 HG3 ARG 14 HG3 ARG 14 -11.897 10.195 -1.951
113 HD2 ARG 14 HD2 ARG 14 -10.132 8.537 -3.749
114 HD3 ARG 14 HD3 ARG 14 -11.542 9.456 -4.275
115 HE ARG 14 HE ARG 14 -9.932 11.264 -2.967
116 HH11 ARG 14 HH11 ARG 14 -9.673 9.182 -5.773
117 HH12 ARG 14 HH12 ARG 14 -8.505 10.195 -6.563
118 HH21 ARG 14 HH21 ARG 14 -8.404 12.596 -3.997
119 HH22 ARG 14 HH22 ARG 14 -7.769 12.137 -5.549
120 H SER 15 H SER 15 -9.183 7.880 1.311
121 HA SER 15 HA SER 15 -6.558 8.910 1.463
122 HB2 SER 15 HB2 SER 15 -8.045 7.327 3.573
123 HB3 SER 15 HB3 SER 15 -6.708 8.447 3.839
124 HG SER 15 HG SER 15 -9.365 9.010 3.045
125 H LEU 16 H LEU 16 -7.867 5.628 1.614
126 HA LEU 16 HA LEU 16 -5.490 4.323 2.341
127 HB2 LEU 16 HB2 LEU 16 -7.873 3.320 0.791
128 HB3 LEU 16 HB3 LEU 16 -6.581 2.287 1.374
129 HG LEU 16 HG LEU 16 -8.424 3.935 3.117
130 HD11 LEU 16 HD11 LEU 16 -9.616 2.097 2.101
131 HD12 LEU 16 HD12 LEU 16 -9.314 1.739 3.803
132 HD13 LEU 16 HD13 LEU 16 -8.333 0.975 2.553
133 HD21 LEU 16 HD21 LEU 16 -6.316 1.905 3.857
134 HD22 LEU 16 HD22 LEU 16 -7.400 2.733 4.974
135 HD23 LEU 16 HD23 LEU 16 -6.186 3.648 4.081
136 H GLN 17 H GLN 17 -6.892 4.881 -0.894
137 HA GLN 17 HA GLN 17 -4.862 3.511 -2.293
138 HB2 GLN 17 HB2 GLN 17 -6.766 5.675 -3.198
139 HB3 GLN 17 HB3 GLN 17 -5.709 4.780 -4.284
140 HG2 GLN 17 HG2 GLN 17 -6.807 2.711 -3.721
141 HG3 GLN 17 HG3 GLN 17 -7.796 3.526 -2.512
142 HE21 GLN 17 HE21 GLN 17 -9.712 2.907 -3.482
143 HE22 GLN 17 HE22 GLN 17 -10.264 3.603 -4.963
144 H GLU 18 H GLU 18 -5.304 6.957 -1.568
145 HA GLU 18 HA GLU 18 -3.000 7.912 -2.835
146 HB2 GLU 18 HB2 GLU 18 -4.636 9.476 -2.110
147 HB3 GLU 18 HB3 GLU 18 -4.567 8.895 -0.456
148 HG2 GLU 18 HG2 GLU 18 -3.515 11.085 -0.732
149 HG3 GLU 18 HG3 GLU 18 -2.383 9.866 -0.161
150 H GLN 19 H GLN 19 -3.477 6.860 0.533
151 HA GLN 19 HA GLN 19 -0.860 7.405 1.386
152 HB2 GLN 19 HB2 GLN 19 -2.843 6.970 2.866
153 HB3 GLN 19 HB3 GLN 19 -2.672 5.258 2.492
154 HG2 GLN 19 HG2 GLN 19 -1.650 5.811 4.632
155 HG3 GLN 19 HG3 GLN 19 -0.446 5.250 3.471
156 HE21 GLN 19 HE21 GLN 19 1.018 6.726 2.602
157 HE22 GLN 19 HE22 GLN 19 1.306 8.279 3.315
158 H ASN 20 H ASN 20 -2.313 4.431 0.114
159 HA ASN 20 HA ASN 20 -0.111 2.741 0.485
160 HB2 ASN 20 HB2 ASN 20 -2.516 2.694 -1.273
161 HB3 ASN 20 HB3 ASN 20 -1.185 1.625 -1.699
162 HD21 ASN 20 HD21 ASN 20 -3.642 2.353 0.652
163 HD22 ASN 20 HD22 ASN 20 -3.528 0.857 1.518
164 H TYR 21 H TYR 21 -1.043 4.626 -2.388
165 HA TYR 21 HA TYR 21 1.152 3.774 -3.953
166 HB2 TYR 21 HB2 TYR 21 -1.009 4.762 -4.800
167 HB3 TYR 21 HB3 TYR 21 -0.414 6.337 -4.284
168 HD1 TYR 21 HD1 TYR 21 0.270 3.500 -6.567
169 HD2 TYR 21 HD2 TYR 21 1.084 7.571 -5.631
170 HE1 TYR 21 HE1 TYR 21 1.430 3.754 -8.719
171 HE2 TYR 21 HE2 TYR 21 2.246 7.837 -7.782
172 HH TYR 21 HH TYR 21 3.391 6.432 -9.442
173 H HIS 22 H HIS 22 0.614 6.552 -1.862
174 HA HIS 22 HA HIS 22 2.941 8.008 -2.487
175 HB2 HIS 22 HB2 HIS 22 0.791 8.497 -0.951
176 HB3 HIS 22 HB3 HIS 22 1.932 8.046 0.311
177 HD1 HIS 22 HD1 HIS 22 0.841 10.843 -1.709
178 HD2 HIS 22 HD2 HIS 22 4.342 9.758 0.270
179 HE1 HIS 22 HE1 HIS 22 2.189 12.961 -1.492
180 HE2 HIS 22 HE2 HIS 22 4.340 12.273 -0.368
181 H LEU 23 H LEU 23 2.280 5.634 0.078
182 HA LEU 23 HA LEU 23 4.907 5.641 1.137
183 HB2 LEU 23 HB2 LEU 23 2.701 3.593 1.311
184 HB3 LEU 23 HB3 LEU 23 4.210 3.470 2.192
185 HG LEU 23 HG LEU 23 2.166 5.666 2.506
186 HD11 LEU 23 HD11 LEU 23 1.411 3.534 3.409
187 HD12 LEU 23 HD12 LEU 23 1.771 4.681 4.701
188 HD13 LEU 23 HD13 LEU 23 2.907 3.385 4.328
189 HD21 LEU 23 HD21 LEU 23 4.441 6.466 2.874
190 HD22 LEU 23 HD22 LEU 23 4.727 5.145 4.010
191 HD23 LEU 23 HD23 LEU 23 3.537 6.392 4.386
192 H GLU 24 H GLU 24 3.302 3.747 -1.361
193 HA GLU 24 HA GLU 24 5.161 1.745 -1.796
194 HB2 GLU 24 HB2 GLU 24 3.042 1.832 -3.004
195 HB3 GLU 24 HB3 GLU 24 3.557 3.290 -3.842
196 HG2 GLU 24 HG2 GLU 24 5.531 1.797 -4.647
197 HG3 GLU 24 HG3 GLU 24 4.447 0.473 -4.226
198 H ASN 25 H ASN 25 5.062 4.993 -3.256
199 HA ASN 25 HA ASN 25 7.453 4.656 -4.734
200 HB2 ASN 25 HB2 ASN 25 5.557 6.390 -5.055
201 HB3 ASN 25 HB3 ASN 25 6.419 7.339 -3.848
202 HD21 ASN 25 HD21 ASN 25 5.898 7.807 -6.718
203 HD22 ASN 25 HD22 ASN 25 7.450 8.080 -7.429
204 H GLU 26 H GLU 26 6.773 6.006 -1.530
205 HA GLU 26 HA GLU 26 9.385 6.988 -1.059
206 HB2 GLU 26 HB2 GLU 26 7.423 7.700 0.246
207 HB3 GLU 26 HB3 GLU 26 7.314 6.093 0.955
208 HG2 GLU 26 HG2 GLU 26 9.373 6.372 2.103
209 HG3 GLU 26 HG3 GLU 26 9.731 7.859 1.227
210 H VAL 27 H VAL 27 7.846 3.891 -0.185
211 HA VAL 27 HA VAL 27 10.114 2.802 1.100
212 HB VAL 27 HB VAL 27 7.813 1.396 -0.274
213 HG11 VAL 27 HG11 VAL 27 9.943 0.277 1.550
214 HG12 VAL 27 HG12 VAL 27 9.694 -0.122 -0.151
215 HG13 VAL 27 HG13 VAL 27 8.485 -0.581 1.050
216 HG21 VAL 27 HG21 VAL 27 7.142 2.782 1.612
217 HG22 VAL 27 HG22 VAL 27 8.349 2.002 2.633
218 HG23 VAL 27 HG23 VAL 27 6.984 1.073 2.013
219 H ALA 28 H ALA 28 9.030 2.758 -2.263
220 HA ALA 28 HA ALA 28 11.045 1.064 -3.267
221 HB1 ALA 28 HB1 ALA 28 10.516 2.024 -5.457
222 HB2 ALA 28 HB2 ALA 28 9.581 3.297 -4.673
223 HB3 ALA 28 HB3 ALA 28 9.054 1.617 -4.557
224 H ARG 29 H ARG 29 10.941 4.534 -2.684
225 HA ARG 29 HA ARG 29 13.413 5.215 -3.839
226 HB2 ARG 29 HB2 ARG 29 11.400 6.528 -2.380
227 HB3 ARG 29 HB3 ARG 29 12.867 6.734 -1.435
228 HG2 ARG 29 HG2 ARG 29 13.062 8.553 -2.763
229 HG3 ARG 29 HG3 ARG 29 13.858 7.374 -3.806
230 HD2 ARG 29 HD2 ARG 29 10.992 8.308 -3.989
231 HD3 ARG 29 HD3 ARG 29 12.302 8.703 -5.099
232 HE ARG 29 HE ARG 29 10.810 6.210 -4.950
233 HH11 ARG 29 HH11 ARG 29 13.570 7.929 -6.272
234 HH12 ARG 29 HH12 ARG 29 13.753 6.846 -7.625
235 HH21 ARG 29 HH21 ARG 29 11.036 4.803 -6.754
236 HH22 ARG 29 HH22 ARG 29 12.299 5.087 -7.910
237 H LEU 30 H LEU 30 12.504 4.090 -0.627
238 HA LEU 30 HA LEU 30 15.004 4.366 0.623
239 HB2 LEU 30 HB2 LEU 30 12.904 4.069 1.843
240 HB3 LEU 30 HB3 LEU 30 12.750 2.446 1.203
241 HG LEU 30 HG LEU 30 14.806 1.797 2.426
242 HD11 LEU 30 HD11 LEU 30 14.591 4.563 3.601
243 HD12 LEU 30 HD12 LEU 30 15.879 3.973 2.549
244 HD13 LEU 30 HD13 LEU 30 15.672 3.287 4.161
245 HD21 LEU 30 HD21 LEU 30 13.782 1.774 4.644
246 HD22 LEU 30 HD22 LEU 30 12.595 1.403 3.393
247 HD23 LEU 30 HD23 LEU 30 12.629 3.005 4.131
248 H LYS 31 H LYS 31 13.489 1.489 -0.879
249 HA LYS 31 HA LYS 31 15.710 -0.187 -0.343
250 HB2 LYS 31 HB2 LYS 31 14.651 -1.759 -1.986
251 HB3 LYS 31 HB3 LYS 31 13.609 -1.250 -0.669
252 HG2 LYS 31 HG2 LYS 31 12.206 -1.164 -2.483
253 HG3 LYS 31 HG3 LYS 31 12.739 0.509 -2.351
254 HD2 LYS 31 HD2 LYS 31 12.808 -0.123 -4.657
255 HD3 LYS 31 HD3 LYS 31 14.468 0.017 -4.080
256 HE2 LYS 31 HE2 LYS 31 14.516 -2.438 -3.766
257 HE3 LYS 31 HE3 LYS 31 12.896 -2.530 -4.454
258 HZ1 LYS 31 HZ1 LYS 31 13.852 -1.438 -6.478
259 HZ2 LYS 31 HZ2 LYS 31 14.409 -3.014 -6.184
260 HZ3 LYS 31 HZ3 LYS 31 15.393 -1.681 -5.815
261 H LYS 32 H LYS 32 14.941 1.947 -3.008
262 HA LYS 32 HA LYS 32 16.973 0.940 -4.733
263 HB2 LYS 32 HB2 LYS 32 14.988 2.365 -5.436
264 HB3 LYS 32 HB3 LYS 32 15.848 3.744 -4.763
265 HG2 LYS 32 HG2 LYS 32 16.203 3.644 -7.145
266 HG3 LYS 32 HG3 LYS 32 17.720 3.300 -6.304
267 HD2 LYS 32 HD2 LYS 32 17.242 0.867 -6.585
268 HD3 LYS 32 HD3 LYS 32 15.845 1.302 -7.569
269 HE2 LYS 32 HE2 LYS 32 18.723 1.972 -8.158
270 HE3 LYS 32 HE3 LYS 32 17.754 0.740 -8.963
271 HZ1 LYS 32 HZ1 LYS 32 17.781 2.646 -10.342
272 HZ2 LYS 32 HZ2 LYS 32 17.370 3.678 -9.069
273 HZ3 LYS 32 HZ3 LYS 32 16.234 2.571 -9.656
274 H LEU 33 H LEU 33 16.784 3.545 -2.359
275 HA LEU 33 HA LEU 33 19.305 4.682 -2.808
276 HB2 LEU 33 HB2 LEU 33 17.512 5.738 -1.490
277 HB3 LEU 33 HB3 LEU 33 17.732 4.535 -0.234
278 HG LEU 33 HG LEU 33 20.027 5.381 0.142
279 HD11 LEU 33 HD11 LEU 33 20.445 6.276 -2.094
280 HD12 LEU 33 HD12 LEU 33 20.708 7.498 -0.851
281 HD13 LEU 33 HD13 LEU 33 19.236 7.531 -1.823
282 HD21 LEU 33 HD21 LEU 33 19.356 7.477 1.222
283 HD22 LEU 33 HD22 LEU 33 18.183 6.190 1.504
284 HD23 LEU 33 HD23 LEU 33 17.840 7.451 0.320
285 H VAL 34 H VAL 34 18.299 2.138 -0.525
286 HA VAL 34 HA VAL 34 20.916 1.777 0.537
287 HB VAL 34 HB VAL 34 18.885 1.100 1.774
288 HG11 VAL 34 HG11 VAL 34 17.735 -0.980 1.244
289 HG12 VAL 34 HG12 VAL 34 18.717 -1.162 -0.209
290 HG13 VAL 34 HG13 VAL 34 17.586 0.183 -0.071
291 HG21 VAL 34 HG21 VAL 34 21.034 0.171 2.412
292 HG22 VAL 34 HG22 VAL 34 20.829 -1.145 1.257
293 HG23 VAL 34 HG23 VAL 34 19.754 -1.019 2.647
294 H GLY 35 H GLY 35 19.210 0.477 -2.219
295 HA2 GLY 35 HA2 GLY 35 21.117 -1.590 -2.772
296 HA3 GLY 35 HA3 GLY 35 19.899 -0.970 -3.879
297 H GLU 36 H GLU 36 21.086 1.797 -3.227
298 HA GLU 36 HA GLU 36 23.081 1.658 -5.374
299 HB2 GLU 36 HB2 GLU 36 21.338 3.912 -4.380
300 HB3 GLU 36 HB3 GLU 36 22.628 4.141 -5.553
301 HG2 GLU 36 HG2 GLU 36 20.240 2.346 -5.907
302 HG3 GLU 36 HG3 GLU 36 20.432 3.952 -6.607
303 H ARG 37 H ARG 37 23.628 1.194 -2.432
304 HA ARG 37 HA ARG 37 25.370 3.461 -1.858
305 HB2 ARG 37 HB2 ARG 37 24.088 2.474 0.013
306 HB3 ARG 37 HB3 ARG 37 24.915 0.942 -0.239
307 HG2 ARG 37 HG2 ARG 37 27.039 1.958 0.320
308 HG3 ARG 37 HG3 ARG 37 26.264 3.532 0.496
309 HD2 ARG 37 HD2 ARG 37 25.667 1.092 2.164
310 HD3 ARG 37 HD3 ARG 37 26.694 2.435 2.659
311 HE ARG 37 HE ARG 37 23.786 2.422 2.459
312 HH11 ARG 37 HH11 ARG 37 26.717 4.275 3.018
313 HH12 ARG 37 HH12 ARG 37 25.877 5.617 3.735
314 HH21 ARG 37 HH21 ARG 37 22.699 4.157 3.449
315 HH22 ARG 37 HH22 ARG 37 23.596 5.534 4.006
316 HA2 GLY 0 HA2 GLY 0 -23.157 -9.430 -15.366
317 HA3 GLY 0 HA3 GLY 0 -22.575 -7.772 -15.455
318 H ALA 1 H ALA 1 -24.647 -9.961 -13.614
319 HA ALA 1 HA ALA 1 -23.939 -8.460 -11.194
320 HB1 ALA 1 HB1 ALA 1 -26.228 -8.573 -10.364
321 HB2 ALA 1 HB2 ALA 1 -26.750 -9.342 -11.863
322 HB3 ALA 1 HB3 ALA 1 -26.163 -7.679 -11.883
323 H GLY 2 H GLY 2 -24.442 -9.748 -9.207
324 HA2 GLY 2 HA2 GLY 2 -24.945 -12.009 -8.363
325 HA3 GLY 2 HA3 GLY 2 -24.110 -12.632 -9.782
326 H SER 3 H SER 3 -23.415 -10.203 -7.296
327 HA SER 3 HA SER 3 -21.705 -9.915 -5.849
328 HB2 SER 3 HB2 SER 3 -21.057 -12.819 -6.423
329 HB3 SER 3 HB3 SER 3 -20.395 -11.856 -5.099
330 HG SER 3 HG SER 3 -22.642 -13.247 -5.128
331 H SER 4 H SER 4 -21.454 -9.588 -8.800
332 HA SER 4 HA SER 4 -18.801 -10.126 -9.586
333 HB2 SER 4 HB2 SER 4 -20.638 -7.935 -10.591
334 HB3 SER 4 HB3 SER 4 -19.282 -8.665 -11.455
335 HG SER 4 HG SER 4 -20.468 -10.369 -11.914
336 H SER 5 H SER 5 -20.407 -7.113 -8.582
337 HA SER 5 HA SER 5 -18.035 -5.603 -8.401
338 HB2 SER 5 HB2 SER 5 -20.582 -5.047 -6.879
339 HB3 SER 5 HB3 SER 5 -19.411 -3.890 -7.510
340 HG SER 5 HG SER 5 -20.083 -4.359 -9.592
341 H LEU 6 H LEU 6 -19.809 -7.643 -6.197
342 HA LEU 6 HA LEU 6 -18.783 -6.807 -3.759
343 HB2 LEU 6 HB2 LEU 6 -20.655 -8.351 -3.922
344 HB3 LEU 6 HB3 LEU 6 -19.619 -9.572 -4.637
345 HG LEU 6 HG LEU 6 -18.303 -9.584 -2.490
346 HD11 LEU 6 HD11 LEU 6 -20.635 -7.939 -1.527
347 HD12 LEU 6 HD12 LEU 6 -18.952 -7.418 -1.626
348 HD13 LEU 6 HD13 LEU 6 -19.419 -8.689 -0.494
349 HD21 LEU 6 HD21 LEU 6 -19.916 -10.966 -1.308
350 HD22 LEU 6 HD22 LEU 6 -19.954 -11.299 -3.041
351 HD23 LEU 6 HD23 LEU 6 -21.217 -10.314 -2.304
352 H GLU 7 H GLU 7 -17.716 -9.644 -5.642
353 HA GLU 7 HA GLU 7 -15.522 -10.237 -4.061
354 HB2 GLU 7 HB2 GLU 7 -16.065 -10.822 -6.973
355 HB3 GLU 7 HB3 GLU 7 -14.713 -11.503 -6.078
356 HG2 GLU 7 HG2 GLU 7 -17.594 -11.846 -5.292
357 HG3 GLU 7 HG3 GLU 7 -16.686 -13.000 -6.268
358 H ALA 8 H ALA 8 -15.781 -8.181 -6.918
359 HA ALA 8 HA ALA 8 -13.091 -7.659 -7.342
360 HB1 ALA 8 HB1 ALA 8 -13.825 -5.644 -8.499
361 HB2 ALA 8 HB2 ALA 8 -15.420 -5.787 -7.762
362 HB3 ALA 8 HB3 ALA 8 -14.865 -7.010 -8.907
363 H VAL 9 H VAL 9 -15.428 -5.704 -5.480
364 HA VAL 9 HA VAL 9 -13.480 -3.890 -4.542
365 HB VAL 9 HB VAL 9 -16.220 -4.500 -3.418
366 HG11 VAL 9 HG11 VAL 9 -14.422 -2.120 -2.967
367 HG12 VAL 9 HG12 VAL 9 -14.823 -3.362 -1.782
368 HG13 VAL 9 HG13 VAL 9 -16.080 -2.284 -2.386
369 HG21 VAL 9 HG21 VAL 9 -16.938 -2.524 -4.673
370 HG22 VAL 9 HG22 VAL 9 -16.309 -3.776 -5.744
371 HG23 VAL 9 HG23 VAL 9 -15.319 -2.368 -5.354
372 H ARG 10 H ARG 10 -14.931 -6.811 -3.195
373 HA ARG 10 HA ARG 10 -13.991 -6.595 -0.578
374 HB2 ARG 10 HB2 ARG 10 -15.647 -8.287 -1.739
375 HB3 ARG 10 HB3 ARG 10 -14.195 -9.260 -1.922
376 HG2 ARG 10 HG2 ARG 10 -15.380 -9.918 0.068
377 HG3 ARG 10 HG3 ARG 10 -13.848 -9.161 0.509
378 HD2 ARG 10 HD2 ARG 10 -14.933 -7.125 1.100
379 HD3 ARG 10 HD3 ARG 10 -16.461 -7.675 0.419
380 HE ARG 10 HE ARG 10 -15.670 -9.453 2.442
381 HH11 ARG 10 HH11 ARG 10 -16.777 -6.153 2.060
382 HH12 ARG 10 HH12 ARG 10 -17.554 -6.102 3.617
383 HH21 ARG 10 HH21 ARG 10 -16.728 -9.409 4.461
384 HH22 ARG 10 HH22 ARG 10 -17.553 -7.961 4.968
385 H ARG 11 H ARG 11 -12.591 -8.251 -3.390
386 HA ARG 11 HA ARG 11 -10.267 -9.161 -2.102
387 HB2 ARG 11 HB2 ARG 11 -11.244 -9.914 -4.326
388 HB3 ARG 11 HB3 ARG 11 -10.542 -8.465 -5.026
389 HG2 ARG 11 HG2 ARG 11 -8.315 -9.228 -4.420
390 HG3 ARG 11 HG3 ARG 11 -9.006 -10.665 -3.660
391 HD2 ARG 11 HD2 ARG 11 -9.022 -9.920 -6.577
392 HD3 ARG 11 HD3 ARG 11 -8.275 -11.327 -5.815
393 HE ARG 11 HE ARG 11 -10.804 -11.767 -5.187
394 HH11 ARG 11 HH11 ARG 11 -9.397 -10.817 -8.260
395 HH12 ARG 11 HH12 ARG 11 -10.736 -11.414 -9.194
396 HH21 ARG 11 HH21 ARG 11 -12.530 -12.569 -6.405
397 HH22 ARG 11 HH22 ARG 11 -12.524 -12.428 -8.140
398 H LYS 12 H LYS 12 -11.102 -6.231 -3.813
399 HA LYS 12 HA LYS 12 -8.550 -5.137 -4.107
400 HB2 LYS 12 HB2 LYS 12 -10.878 -4.529 -5.144
401 HB3 LYS 12 HB3 LYS 12 -11.001 -3.454 -3.760
402 HG2 LYS 12 HG2 LYS 12 -9.146 -2.180 -4.459
403 HG3 LYS 12 HG3 LYS 12 -8.673 -3.393 -5.655
404 HD2 LYS 12 HD2 LYS 12 -10.839 -2.979 -6.822
405 HD3 LYS 12 HD3 LYS 12 -11.135 -1.654 -5.697
406 HE2 LYS 12 HE2 LYS 12 -9.236 -0.452 -6.509
407 HE3 LYS 12 HE3 LYS 12 -8.715 -1.829 -7.483
408 HZ1 LYS 12 HZ1 LYS 12 -9.846 -0.112 -8.800
409 HZ2 LYS 12 HZ2 LYS 12 -11.252 -0.332 -7.880
410 HZ3 LYS 12 HZ3 LYS 12 -10.673 -1.594 -8.847
411 H ILE 13 H ILE 13 -11.065 -4.529 -1.628
412 HA ILE 13 HA ILE 13 -9.464 -2.667 -0.225
413 HB ILE 13 HB ILE 13 -11.130 -2.861 1.599
414 HG12 ILE 13 HG12 ILE 13 -13.292 -4.156 0.721
415 HG13 ILE 13 HG13 ILE 13 -12.072 -5.153 -0.065
416 HG21 ILE 13 HG21 ILE 13 -11.456 -1.262 -0.164
417 HG22 ILE 13 HG22 ILE 13 -13.014 -1.944 0.304
418 HG23 ILE 13 HG23 ILE 13 -12.224 -2.481 -1.179
419 HD11 ILE 13 HD11 ILE 13 -11.049 -5.615 2.093
420 HD12 ILE 13 HD12 ILE 13 -12.751 -6.082 2.076
421 HD13 ILE 13 HD13 ILE 13 -12.250 -4.597 2.887
422 H ARG 14 H ARG 14 -9.795 -6.130 -0.106
423 HA ARG 14 HA ARG 14 -8.549 -6.577 2.369
424 HB2 ARG 14 HB2 ARG 14 -8.944 -8.201 -0.106
425 HB3 ARG 14 HB3 ARG 14 -7.790 -8.765 1.093
426 HG2 ARG 14 HG2 ARG 14 -10.691 -8.170 1.632
427 HG3 ARG 14 HG3 ARG 14 -10.007 -9.774 1.363
428 HD2 ARG 14 HD2 ARG 14 -9.403 -7.883 3.632
429 HD3 ARG 14 HD3 ARG 14 -10.245 -9.429 3.724
430 HE ARG 14 HE ARG 14 -7.485 -9.450 2.757
431 HH11 ARG 14 HH11 ARG 14 -9.766 -10.137 5.334
432 HH12 ARG 14 HH12 ARG 14 -8.624 -11.060 6.269
433 HH21 ARG 14 HH21 ARG 14 -5.986 -10.658 3.976
434 HH22 ARG 14 HH22 ARG 14 -6.470 -11.364 5.492
435 H SER 15 H SER 15 -7.262 -6.348 -0.922
436 HA SER 15 HA SER 15 -4.617 -6.925 -0.400
437 HB2 SER 15 HB2 SER 15 -5.598 -6.724 -2.662
438 HB3 SER 15 HB3 SER 15 -5.714 -4.979 -2.444
439 HG SER 15 HG SER 15 -3.222 -5.659 -1.902
440 H LEU 16 H LEU 16 -6.356 -3.861 -0.136
441 HA LEU 16 HA LEU 16 -4.200 -2.157 0.279
442 HB2 LEU 16 HB2 LEU 16 -6.977 -2.006 1.452
443 HB3 LEU 16 HB3 LEU 16 -5.824 -0.686 1.422
444 HG LEU 16 HG LEU 16 -7.013 -2.000 -1.023
445 HD11 LEU 16 HD11 LEU 16 -7.638 0.638 0.295
446 HD12 LEU 16 HD12 LEU 16 -8.700 -0.766 0.198
447 HD13 LEU 16 HD13 LEU 16 -8.257 0.105 -1.269
448 HD21 LEU 16 HD21 LEU 16 -5.266 0.440 -0.719
449 HD22 LEU 16 HD22 LEU 16 -6.019 -0.101 -2.220
450 HD23 LEU 16 HD23 LEU 16 -4.794 -1.100 -1.438
451 H GLN 17 H GLN 17 -6.297 -3.637 2.749
452 HA GLN 17 HA GLN 17 -4.763 -2.769 4.937
453 HB2 GLN 17 HB2 GLN 17 -6.643 -5.134 4.784
454 HB3 GLN 17 HB3 GLN 17 -6.113 -4.320 6.249
455 HG2 GLN 17 HG2 GLN 17 -7.258 -2.289 5.552
456 HG3 GLN 17 HG3 GLN 17 -7.764 -3.081 4.060
457 HE21 GLN 17 HE21 GLN 17 -9.938 -2.811 4.505
458 HE22 GLN 17 HE22 GLN 17 -10.754 -3.720 5.727
459 H GLU 18 H GLU 18 -4.767 -5.671 2.991
460 HA GLU 18 HA GLU 18 -3.131 -7.338 4.475
461 HB2 GLU 18 HB2 GLU 18 -4.391 -7.951 2.421
462 HB3 GLU 18 HB3 GLU 18 -3.236 -7.034 1.468
463 HG2 GLU 18 HG2 GLU 18 -2.641 -9.298 1.265
464 HG3 GLU 18 HG3 GLU 18 -1.454 -8.566 2.345
465 H GLN 19 H GLN 19 -2.236 -4.990 1.956
466 HA GLN 19 HA GLN 19 0.549 -5.503 2.225
467 HB2 GLN 19 HB2 GLN 19 -0.534 -4.703 0.122
468 HB3 GLN 19 HB3 GLN 19 -0.822 -3.154 0.902
469 HG2 GLN 19 HG2 GLN 19 1.131 -3.081 -0.546
470 HG3 GLN 19 HG3 GLN 19 1.566 -2.802 1.140
471 HE21 GLN 19 HE21 GLN 19 1.718 -5.037 -1.531
472 HE22 GLN 19 HE22 GLN 19 2.956 -6.045 -0.873
473 H ASN 20 H ASN 20 -1.701 -3.102 3.464
474 HA ASN 20 HA ASN 20 0.087 -1.215 4.428
475 HB2 ASN 20 HB2 ASN 20 -2.709 -1.966 5.081
476 HB3 ASN 20 HB3 ASN 20 -1.844 -1.010 6.282
477 HD21 ASN 20 HD21 ASN 20 -1.199 -0.777 2.867
478 HD22 ASN 20 HD22 ASN 20 -1.850 0.811 2.660
479 H TYR 21 H TYR 21 -1.295 -4.021 6.120
480 HA TYR 21 HA TYR 21 -0.082 -3.572 8.586
481 HB2 TYR 21 HB2 TYR 21 -1.900 -5.312 7.835
482 HB3 TYR 21 HB3 TYR 21 -0.510 -6.358 7.558
483 HD1 TYR 21 HD1 TYR 21 -2.511 -4.614 10.075
484 HD2 TYR 21 HD2 TYR 21 0.799 -7.209 9.427
485 HE1 TYR 21 HE1 TYR 21 -2.508 -5.191 12.463
486 HE2 TYR 21 HE2 TYR 21 0.808 -7.797 11.816
487 HH TYR 21 HH TYR 21 -1.743 -7.128 13.880
488 H HIS 22 H HIS 22 0.988 -5.443 5.790
489 HA HIS 22 HA HIS 22 3.424 -6.340 6.838
490 HB2 HIS 22 HB2 HIS 22 2.583 -7.380 4.868
491 HB3 HIS 22 HB3 HIS 22 2.463 -5.842 4.023
492 HD1 HIS 22 HD1 HIS 22 4.110 -5.789 2.225
493 HD2 HIS 22 HD2 HIS 22 5.640 -7.638 5.622
494 HE1 HIS 22 HE1 HIS 22 6.490 -6.385 1.663
495 HE2 HIS 22 HE2 HIS 22 7.457 -7.273 3.814
496 H LEU 23 H LEU 23 2.653 -3.485 4.859
497 HA LEU 23 HA LEU 23 5.249 -2.570 4.496
498 HB2 LEU 23 HB2 LEU 23 3.181 -1.810 3.292
499 HB3 LEU 23 HB3 LEU 23 2.756 -0.876 4.711
500 HG LEU 23 HG LEU 23 5.378 -0.404 3.324
501 HD11 LEU 23 HD11 LEU 23 2.707 0.791 2.584
502 HD12 LEU 23 HD12 LEU 23 3.682 -0.286 1.581
503 HD13 LEU 23 HD13 LEU 23 4.276 1.327 1.979
504 HD21 LEU 23 HD21 LEU 23 3.530 1.400 4.889
505 HD22 LEU 23 HD22 LEU 23 5.113 1.832 4.244
506 HD23 LEU 23 HD23 LEU 23 4.982 0.627 5.524
507 H GLU 24 H GLU 24 2.871 -1.608 6.976
508 HA GLU 24 HA GLU 24 4.392 0.325 8.239
509 HB2 GLU 24 HB2 GLU 24 2.315 -1.548 9.382
510 HB3 GLU 24 HB3 GLU 24 2.975 -0.168 10.251
511 HG2 GLU 24 HG2 GLU 24 2.112 1.334 8.540
512 HG3 GLU 24 HG3 GLU 24 1.471 -0.041 7.646
513 H ASN 25 H ASN 25 4.313 -3.167 8.794
514 HA ASN 25 HA ASN 25 6.130 -3.060 10.989
515 HB2 ASN 25 HB2 ASN 25 4.999 -5.282 9.309
516 HB3 ASN 25 HB3 ASN 25 6.310 -5.597 10.439
517 HD21 ASN 25 HD21 ASN 25 2.965 -4.713 10.096
518 HD22 ASN 25 HD22 ASN 25 2.532 -4.943 11.762
519 H GLU 26 H GLU 26 6.366 -3.746 7.547
520 HA GLU 26 HA GLU 26 8.967 -4.719 7.472
521 HB2 GLU 26 HB2 GLU 26 7.176 -4.690 5.627
522 HB3 GLU 26 HB3 GLU 26 7.746 -3.064 5.273
523 HG2 GLU 26 HG2 GLU 26 8.883 -4.439 3.775
524 HG3 GLU 26 HG3 GLU 26 10.059 -4.095 5.044
525 H VAL 27 H VAL 27 7.793 -1.403 6.888
526 HA VAL 27 HA VAL 27 10.290 -0.311 6.314
527 HB VAL 27 HB VAL 27 8.190 0.840 5.761
528 HG11 VAL 27 HG11 VAL 27 6.951 2.090 7.463
529 HG12 VAL 27 HG12 VAL 27 7.967 1.383 8.718
530 HG13 VAL 27 HG13 VAL 27 6.900 0.353 7.764
531 HG21 VAL 27 HG21 VAL 27 8.888 3.118 6.376
532 HG22 VAL 27 HG22 VAL 27 10.238 2.132 5.812
533 HG23 VAL 27 HG23 VAL 27 10.030 2.438 7.536
534 H ALA 28 H ALA 28 8.601 -0.754 9.377
535 HA ALA 28 HA ALA 28 10.263 0.787 11.002
536 HB1 ALA 28 HB1 ALA 28 9.385 -0.512 12.859
537 HB2 ALA 28 HB2 ALA 28 8.771 -1.727 11.738
538 HB3 ALA 28 HB3 ALA 28 8.094 -0.100 11.729
539 H ARG 29 H ARG 29 10.412 -2.621 10.095
540 HA ARG 29 HA ARG 29 12.637 -3.375 11.597
541 HB2 ARG 29 HB2 ARG 29 11.806 -4.390 8.870
542 HB3 ARG 29 HB3 ARG 29 12.831 -5.234 10.021
543 HG2 ARG 29 HG2 ARG 29 11.038 -5.627 11.488
544 HG3 ARG 29 HG3 ARG 29 9.998 -4.469 10.655
545 HD2 ARG 29 HD2 ARG 29 10.017 -5.918 8.664
546 HD3 ARG 29 HD3 ARG 29 11.011 -7.085 9.538
547 HE ARG 29 HE ARG 29 8.896 -6.871 11.165
548 HH11 ARG 29 HH11 ARG 29 9.018 -7.221 7.664
549 HH12 ARG 29 HH12 ARG 29 7.549 -8.158 7.602
550 HH21 ARG 29 HH21 ARG 29 6.990 -8.096 11.064
551 HH22 ARG 29 HH22 ARG 29 6.394 -8.651 9.528
552 H LEU 30 H LEU 30 12.395 -2.318 8.226
553 HA LEU 30 HA LEU 30 15.043 -2.604 7.509
554 HB2 LEU 30 HB2 LEU 30 12.755 -1.034 6.475
555 HB3 LEU 30 HB3 LEU 30 14.347 -0.571 5.913
556 HG LEU 30 HG LEU 30 14.716 -2.852 5.067
557 HD11 LEU 30 HD11 LEU 30 13.327 -4.096 6.618
558 HD12 LEU 30 HD12 LEU 30 12.845 -4.429 4.954
559 HD13 LEU 30 HD13 LEU 30 11.880 -3.342 5.951
560 HD21 LEU 30 HD21 LEU 30 13.146 -2.735 3.205
561 HD22 LEU 30 HD22 LEU 30 13.787 -1.139 3.603
562 HD23 LEU 30 HD23 LEU 30 12.156 -1.586 4.107
563 H LYS 31 H LYS 31 13.484 0.526 8.354
564 HA LYS 31 HA LYS 31 15.890 1.902 7.996
565 HB2 LYS 31 HB2 LYS 31 14.681 3.796 9.225
566 HB3 LYS 31 HB3 LYS 31 14.037 3.239 7.691
567 HG2 LYS 31 HG2 LYS 31 12.170 3.549 9.036
568 HG3 LYS 31 HG3 LYS 31 12.441 1.811 9.073
569 HD2 LYS 31 HD2 LYS 31 13.443 1.968 11.259
570 HD3 LYS 31 HD3 LYS 31 13.364 3.733 11.211
571 HE2 LYS 31 HE2 LYS 31 10.939 3.643 11.159
572 HE3 LYS 31 HE3 LYS 31 10.983 1.883 11.118
573 HZ1 LYS 31 HZ1 LYS 31 12.040 3.537 13.352
574 HZ2 LYS 31 HZ2 LYS 31 11.896 1.843 13.319
575 HZ3 LYS 31 HZ3 LYS 31 10.506 2.812 13.333
576 H LYS 32 H LYS 32 14.581 0.351 10.853
577 HA LYS 32 HA LYS 32 16.263 1.780 12.667
578 HB2 LYS 32 HB2 LYS 32 14.179 0.543 13.340
579 HB3 LYS 32 HB3 LYS 32 15.058 -0.959 13.090
580 HG2 LYS 32 HG2 LYS 32 16.750 -0.112 14.761
581 HG3 LYS 32 HG3 LYS 32 15.610 1.180 15.130
582 HD2 LYS 32 HD2 LYS 32 15.319 -0.579 16.736
583 HD3 LYS 32 HD3 LYS 32 13.913 -0.559 15.671
584 HE2 LYS 32 HE2 LYS 32 14.845 -2.406 14.387
585 HE3 LYS 32 HE3 LYS 32 16.281 -2.409 15.411
586 HZ1 LYS 32 HZ1 LYS 32 14.950 -3.040 17.284
587 HZ2 LYS 32 HZ2 LYS 32 14.650 -4.126 16.015
588 HZ3 LYS 32 HZ3 LYS 32 13.524 -2.915 16.377
589 H LEU 33 H LEU 33 16.567 -1.203 10.833
590 HA LEU 33 HA LEU 33 19.026 -1.938 12.171
591 HB2 LEU 33 HB2 LEU 33 17.192 -3.500 11.209
592 HB3 LEU 33 HB3 LEU 33 17.963 -3.210 9.665
593 HG LEU 33 HG LEU 33 18.662 -5.336 10.750
594 HD11 LEU 33 HD11 LEU 33 21.072 -5.057 10.425
595 HD12 LEU 33 HD12 LEU 33 20.857 -3.307 10.397
596 HD13 LEU 33 HD13 LEU 33 20.139 -4.303 9.131
597 HD21 LEU 33 HD21 LEU 33 20.171 -5.246 12.676
598 HD22 LEU 33 HD22 LEU 33 18.569 -4.619 13.067
599 HD23 LEU 33 HD23 LEU 33 19.907 -3.505 12.792
600 H VAL 34 H VAL 34 18.071 -0.895 8.897
601 HA VAL 34 HA VAL 34 20.712 -1.043 7.871
602 HB VAL 34 HB VAL 34 18.618 -1.136 6.489
603 HG11 VAL 34 HG11 VAL 34 17.657 0.983 5.701
604 HG12 VAL 34 HG12 VAL 34 18.651 1.854 6.870
605 HG13 VAL 34 HG13 VAL 34 17.407 0.737 7.430
606 HG21 VAL 34 HG21 VAL 34 20.815 -0.886 5.477
607 HG22 VAL 34 HG22 VAL 34 20.700 0.867 5.637
608 HG23 VAL 34 HG23 VAL 34 19.596 0.004 4.566
609 H GLY 35 H GLY 35 18.962 1.413 9.576
610 HA2 GLY 35 HA2 GLY 35 20.598 3.624 8.835
611 HA3 GLY 35 HA3 GLY 35 19.521 3.547 10.224
612 H GLU 36 H GLU 36 21.039 0.980 10.952
613 HA GLU 36 HA GLU 36 22.682 0.358 12.379
614 HB2 GLU 36 HB2 GLU 36 24.175 2.702 11.185
615 HB3 GLU 36 HB3 GLU 36 24.886 1.476 12.223
616 HG2 GLU 36 HG2 GLU 36 24.375 -0.232 10.563
617 HG3 GLU 36 HG3 GLU 36 23.666 0.998 9.517
618 H ARG 37 H ARG 37 24.463 1.785 13.933
619 HA ARG 37 HA ARG 37 22.822 3.794 15.298
620 HB2 ARG 37 HB2 ARG 37 23.771 2.854 17.476
621 HB3 ARG 37 HB3 ARG 37 22.498 1.936 16.688
622 HG2 ARG 37 HG2 ARG 37 24.165 0.408 15.764
623 HG3 ARG 37 HG3 ARG 37 25.444 1.331 16.561
624 HD2 ARG 37 HD2 ARG 37 24.499 0.807 18.733
625 HD3 ARG 37 HD3 ARG 37 23.156 -0.041 17.967
626 HE ARG 37 HE ARG 37 24.883 -1.623 17.099
627 HH11 ARG 37 HH11 ARG 37 25.485 0.271 19.974
628 HH12 ARG 37 HH12 ARG 37 26.590 -0.872 20.667
629 HH21 ARG 37 HH21 ARG 37 26.342 -3.150 18.001
630 HH22 ARG 37 HH22 ARG 37 27.090 -2.815 19.539
Start of MODEL 7
1 HA2 GLY 0 HA2 GLY 0 -26.137 6.880 -2.978
2 HA3 GLY 0 HA3 GLY 0 -27.492 6.547 -4.045
3 H ALA 1 H ALA 1 -26.231 6.251 -0.812
4 HA ALA 1 HA ALA 1 -28.970 5.740 0.139
5 HB1 ALA 1 HB1 ALA 1 -27.810 3.600 0.194
6 HB2 ALA 1 HB2 ALA 1 -28.123 4.180 1.831
7 HB3 ALA 1 HB3 ALA 1 -26.504 4.314 1.142
8 H GLY 2 H GLY 2 -26.903 7.990 -0.037
9 HA2 GLY 2 HA2 GLY 2 -27.505 9.703 1.855
10 HA3 GLY 2 HA3 GLY 2 -26.485 8.614 2.786
11 H SER 3 H SER 3 -26.392 11.490 1.433
12 HA SER 3 HA SER 3 -24.070 11.365 -0.217
13 HB2 SER 3 HB2 SER 3 -25.284 13.750 1.190
14 HB3 SER 3 HB3 SER 3 -24.125 13.803 -0.136
15 HG SER 3 HG SER 3 -26.330 14.064 -0.812
16 H SER 4 H SER 4 -24.651 11.891 3.200
17 HA SER 4 HA SER 4 -22.070 12.764 3.921
18 HB2 SER 4 HB2 SER 4 -24.011 11.120 5.567
19 HB3 SER 4 HB3 SER 4 -22.676 12.088 6.191
20 HG SER 4 HG SER 4 -23.731 13.940 5.288
21 H SER 5 H SER 5 -23.508 9.554 3.637
22 HA SER 5 HA SER 5 -21.257 8.083 4.475
23 HB2 SER 5 HB2 SER 5 -23.355 7.162 2.503
24 HB3 SER 5 HB3 SER 5 -22.411 6.174 3.618
25 HG SER 5 HG SER 5 -24.136 6.399 4.823
26 H LEU 6 H LEU 6 -22.264 9.424 1.404
27 HA LEU 6 HA LEU 6 -20.498 7.970 -0.251
28 HB2 LEU 6 HB2 LEU 6 -22.583 9.292 -0.907
29 HB3 LEU 6 HB3 LEU 6 -21.584 10.726 -0.812
30 HG LEU 6 HG LEU 6 -20.879 8.426 -2.630
31 HD11 LEU 6 HD11 LEU 6 -22.610 10.817 -3.252
32 HD12 LEU 6 HD12 LEU 6 -23.128 9.132 -3.209
33 HD13 LEU 6 HD13 LEU 6 -21.980 9.672 -4.435
34 HD21 LEU 6 HD21 LEU 6 -20.190 11.365 -2.685
35 HD22 LEU 6 HD22 LEU 6 -19.660 10.155 -3.853
36 HD23 LEU 6 HD23 LEU 6 -19.115 10.062 -2.178
37 H GLU 7 H GLU 7 -20.299 11.280 1.090
38 HA GLU 7 HA GLU 7 -17.726 11.780 0.021
39 HB2 GLU 7 HB2 GLU 7 -17.677 13.705 1.595
40 HB3 GLU 7 HB3 GLU 7 -19.125 13.644 0.606
41 HG2 GLU 7 HG2 GLU 7 -20.359 12.685 2.492
42 HG3 GLU 7 HG3 GLU 7 -18.904 12.785 3.480
43 H ALA 8 H ALA 8 -18.820 10.379 3.059
44 HA ALA 8 HA ALA 8 -16.344 10.461 4.409
45 HB1 ALA 8 HB1 ALA 8 -18.481 9.992 5.527
46 HB2 ALA 8 HB2 ALA 8 -17.269 8.759 5.869
47 HB3 ALA 8 HB3 ALA 8 -18.554 8.430 4.709
48 H VAL 9 H VAL 9 -17.866 7.836 2.532
49 HA VAL 9 HA VAL 9 -15.664 6.071 2.761
50 HB VAL 9 HB VAL 9 -17.885 6.106 0.705
51 HG11 VAL 9 HG11 VAL 9 -15.994 4.825 -0.115
52 HG12 VAL 9 HG12 VAL 9 -17.312 3.743 0.333
53 HG13 VAL 9 HG13 VAL 9 -15.918 3.925 1.397
54 HG21 VAL 9 HG21 VAL 9 -18.689 5.881 3.001
55 HG22 VAL 9 HG22 VAL 9 -17.585 4.531 3.262
56 HG23 VAL 9 HG23 VAL 9 -18.904 4.379 2.103
57 H ARG 10 H ARG 10 -16.618 8.430 0.306
58 HA ARG 10 HA ARG 10 -14.776 7.727 -1.676
59 HB2 ARG 10 HB2 ARG 10 -16.773 9.368 -1.765
60 HB3 ARG 10 HB3 ARG 10 -15.634 10.568 -1.169
61 HG2 ARG 10 HG2 ARG 10 -15.114 8.952 -3.646
62 HG3 ARG 10 HG3 ARG 10 -16.017 10.465 -3.673
63 HD2 ARG 10 HD2 ARG 10 -14.126 11.673 -2.826
64 HD3 ARG 10 HD3 ARG 10 -13.231 10.176 -2.566
65 HE ARG 10 HE ARG 10 -13.518 9.954 -5.127
66 HH11 ARG 10 HH11 ARG 10 -13.057 12.953 -3.384
67 HH12 ARG 10 HH12 ARG 10 -12.264 13.758 -4.703
68 HH21 ARG 10 HH21 ARG 10 -12.427 10.985 -6.858
69 HH22 ARG 10 HH22 ARG 10 -11.862 12.622 -6.664
70 H ARG 11 H ARG 11 -14.499 10.180 0.899
71 HA ARG 11 HA ARG 11 -11.870 10.974 0.330
72 HB2 ARG 11 HB2 ARG 11 -13.318 12.221 1.872
73 HB3 ARG 11 HB3 ARG 11 -13.273 10.883 3.012
74 HG2 ARG 11 HG2 ARG 11 -10.787 11.199 3.142
75 HG3 ARG 11 HG3 ARG 11 -10.994 12.668 2.190
76 HD2 ARG 11 HD2 ARG 11 -12.327 12.129 4.841
77 HD3 ARG 11 HD3 ARG 11 -10.855 13.074 4.631
78 HE ARG 11 HE ARG 11 -13.301 13.903 3.227
79 HH11 ARG 11 HH11 ARG 11 -10.865 14.471 5.678
80 HH12 ARG 11 HH12 ARG 11 -11.353 16.116 5.968
81 HH21 ARG 11 HH21 ARG 11 -13.925 16.096 3.585
82 HH22 ARG 11 HH22 ARG 11 -13.083 17.037 4.790
83 H LYS 12 H LYS 12 -13.139 8.457 2.447
84 HA LYS 12 HA LYS 12 -10.757 7.658 3.654
85 HB2 LYS 12 HB2 LYS 12 -12.989 6.986 4.433
86 HB3 LYS 12 HB3 LYS 12 -13.201 6.007 2.989
87 HG2 LYS 12 HG2 LYS 12 -11.395 4.544 3.683
88 HG3 LYS 12 HG3 LYS 12 -11.111 5.544 5.109
89 HD2 LYS 12 HD2 LYS 12 -13.683 4.086 4.492
90 HD3 LYS 12 HD3 LYS 12 -12.438 3.514 5.603
91 HE2 LYS 12 HE2 LYS 12 -12.756 5.490 6.996
92 HE3 LYS 12 HE3 LYS 12 -13.965 6.101 5.867
93 HZ1 LYS 12 HZ1 LYS 12 -15.387 4.260 6.381
94 HZ2 LYS 12 HZ2 LYS 12 -14.934 5.012 7.832
95 HZ3 LYS 12 HZ3 LYS 12 -14.206 3.548 7.369
96 H ILE 13 H ILE 13 -12.381 6.233 0.789
97 HA ILE 13 HA ILE 13 -10.373 4.292 0.377
98 HB ILE 13 HB ILE 13 -11.349 3.946 -1.858
99 HG12 ILE 13 HG12 ILE 13 -13.173 6.252 -1.127
100 HG13 ILE 13 HG13 ILE 13 -11.909 6.308 -2.350
101 HG21 ILE 13 HG21 ILE 13 -13.560 3.229 -1.083
102 HG22 ILE 13 HG22 ILE 13 -13.362 4.204 0.374
103 HG23 ILE 13 HG23 ILE 13 -12.297 2.828 0.080
104 HD11 ILE 13 HD11 ILE 13 -14.346 4.546 -2.413
105 HD12 ILE 13 HD12 ILE 13 -13.082 4.607 -3.642
106 HD13 ILE 13 HD13 ILE 13 -14.098 6.019 -3.352
107 H ARG 14 H ARG 14 -10.748 7.585 -0.846
108 HA ARG 14 HA ARG 14 -8.676 7.364 -2.783
109 HB2 ARG 14 HB2 ARG 14 -10.445 9.167 -2.743
110 HB3 ARG 14 HB3 ARG 14 -9.560 9.905 -1.412
111 HG2 ARG 14 HG2 ARG 14 -7.563 10.017 -2.892
112 HG3 ARG 14 HG3 ARG 14 -8.578 9.454 -4.218
113 HD2 ARG 14 HD2 ARG 14 -10.064 11.428 -3.794
114 HD3 ARG 14 HD3 ARG 14 -8.854 12.012 -2.651
115 HE ARG 14 HE ARG 14 -8.439 11.680 -5.553
116 HH11 ARG 14 HH11 ARG 14 -7.507 13.090 -2.477
117 HH12 ARG 14 HH12 ARG 14 -6.411 14.235 -3.197
118 HH21 ARG 14 HH21 ARG 14 -7.000 13.189 -6.495
119 HH22 ARG 14 HH22 ARG 14 -6.147 14.316 -5.475
120 H SER 15 H SER 15 -8.773 8.341 0.604
121 HA SER 15 HA SER 15 -6.099 9.197 0.803
122 HB2 SER 15 HB2 SER 15 -7.901 9.606 2.511
123 HB3 SER 15 HB3 SER 15 -7.753 7.917 2.992
124 HG SER 15 HG SER 15 -5.426 9.468 2.897
125 H LEU 16 H LEU 16 -7.616 6.019 1.087
126 HA LEU 16 HA LEU 16 -5.328 4.574 1.847
127 HB2 LEU 16 HB2 LEU 16 -7.944 3.917 0.630
128 HB3 LEU 16 HB3 LEU 16 -6.663 2.749 0.370
129 HG LEU 16 HG LEU 16 -6.358 2.527 2.793
130 HD11 LEU 16 HD11 LEU 16 -7.974 3.518 4.337
131 HD12 LEU 16 HD12 LEU 16 -8.691 4.422 3.002
132 HD13 LEU 16 HD13 LEU 16 -7.030 4.749 3.498
133 HD21 LEU 16 HD21 LEU 16 -9.206 2.155 1.874
134 HD22 LEU 16 HD22 LEU 16 -8.468 1.377 3.274
135 HD23 LEU 16 HD23 LEU 16 -7.878 1.016 1.652
136 H GLN 17 H GLN 17 -6.603 5.441 -1.347
137 HA GLN 17 HA GLN 17 -4.699 4.126 -2.928
138 HB2 GLN 17 HB2 GLN 17 -6.007 6.794 -3.485
139 HB3 GLN 17 HB3 GLN 17 -5.238 5.757 -4.673
140 HG2 GLN 17 HG2 GLN 17 -6.942 4.061 -4.315
141 HG3 GLN 17 HG3 GLN 17 -7.705 5.077 -3.090
142 HE21 GLN 17 HE21 GLN 17 -9.636 5.242 -4.214
143 HE22 GLN 17 HE22 GLN 17 -9.793 6.186 -5.657
144 H GLU 18 H GLU 18 -4.715 7.407 -1.607
145 HA GLU 18 HA GLU 18 -2.214 8.183 -2.664
146 HB2 GLU 18 HB2 GLU 18 -4.057 9.686 -1.791
147 HB3 GLU 18 HB3 GLU 18 -3.526 9.265 -0.172
148 HG2 GLU 18 HG2 GLU 18 -1.610 10.423 -2.149
149 HG3 GLU 18 HG3 GLU 18 -2.708 11.457 -1.241
150 H GLN 19 H GLN 19 -3.176 6.847 0.480
151 HA GLN 19 HA GLN 19 -0.670 6.940 1.721
152 HB2 GLN 19 HB2 GLN 19 -2.773 6.479 2.916
153 HB3 GLN 19 HB3 GLN 19 -2.885 4.916 2.118
154 HG2 GLN 19 HG2 GLN 19 -0.898 4.151 3.239
155 HG3 GLN 19 HG3 GLN 19 -0.648 5.743 3.951
156 HE21 GLN 19 HE21 GLN 19 -2.533 2.825 4.030
157 HE22 GLN 19 HE22 GLN 19 -3.296 3.127 5.555
158 H ASN 20 H ASN 20 -2.131 4.450 -0.343
159 HA ASN 20 HA ASN 20 -0.093 2.539 -0.191
160 HB2 ASN 20 HB2 ASN 20 -2.278 3.148 -2.059
161 HB3 ASN 20 HB3 ASN 20 -0.902 2.341 -2.806
162 HD21 ASN 20 HD21 ASN 20 -1.893 1.895 0.522
163 HD22 ASN 20 HD22 ASN 20 -2.395 0.254 0.345
164 H TYR 21 H TYR 21 -0.549 5.041 -2.678
165 HA TYR 21 HA TYR 21 1.868 4.638 -4.011
166 HB2 TYR 21 HB2 TYR 21 0.107 7.071 -3.741
167 HB3 TYR 21 HB3 TYR 21 1.549 7.065 -4.747
168 HD1 TYR 21 HD1 TYR 21 -0.658 4.131 -4.399
169 HD2 TYR 21 HD2 TYR 21 0.404 7.476 -6.803
170 HE1 TYR 21 HE1 TYR 21 -1.961 3.198 -6.258
171 HE2 TYR 21 HE2 TYR 21 -0.898 6.553 -8.674
172 HH TYR 21 HH TYR 21 -2.975 3.767 -8.279
173 H HIS 22 H HIS 22 1.077 6.625 -1.240
174 HA HIS 22 HA HIS 22 3.445 8.102 -1.021
175 HB2 HIS 22 HB2 HIS 22 1.180 8.291 0.245
176 HB3 HIS 22 HB3 HIS 22 1.886 7.127 1.358
177 HD1 HIS 22 HD1 HIS 22 1.485 10.628 0.921
178 HD2 HIS 22 HD2 HIS 22 4.527 8.189 2.377
179 HE1 HIS 22 HE1 HIS 22 2.946 12.126 2.327
180 HE2 HIS 22 HE2 HIS 22 4.640 10.575 3.367
181 H LEU 23 H LEU 23 2.475 5.040 0.491
182 HA LEU 23 HA LEU 23 4.935 4.607 1.821
183 HB2 LEU 23 HB2 LEU 23 2.712 2.721 1.050
184 HB3 LEU 23 HB3 LEU 23 4.093 2.241 2.015
185 HG LEU 23 HG LEU 23 2.097 4.366 2.795
186 HD11 LEU 23 HD11 LEU 23 1.326 2.738 4.448
187 HD12 LEU 23 HD12 LEU 23 2.433 1.539 3.780
188 HD13 LEU 23 HD13 LEU 23 1.097 2.145 2.802
189 HD21 LEU 23 HD21 LEU 23 3.201 4.282 4.966
190 HD22 LEU 23 HD22 LEU 23 4.340 4.745 3.702
191 HD23 LEU 23 HD23 LEU 23 4.356 3.103 4.345
192 H GLU 24 H GLU 24 3.626 3.402 -1.264
193 HA GLU 24 HA GLU 24 5.626 1.594 -1.923
194 HB2 GLU 24 HB2 GLU 24 4.012 3.395 -3.737
195 HB3 GLU 24 HB3 GLU 24 5.035 2.092 -4.320
196 HG2 GLU 24 HG2 GLU 24 3.673 0.495 -3.009
197 HG3 GLU 24 HG3 GLU 24 2.605 1.825 -2.565
198 H ASN 25 H ASN 25 5.464 5.028 -2.875
199 HA ASN 25 HA ASN 25 7.996 5.006 -4.135
200 HB2 ASN 25 HB2 ASN 25 6.242 7.255 -3.163
201 HB3 ASN 25 HB3 ASN 25 7.798 7.547 -3.931
202 HD21 ASN 25 HD21 ASN 25 4.524 6.506 -4.385
203 HD22 ASN 25 HD22 ASN 25 4.558 6.481 -6.115
204 H GLU 26 H GLU 26 6.963 5.871 -0.870
205 HA GLU 26 HA GLU 26 9.431 7.022 -0.102
206 HB2 GLU 26 HB2 GLU 26 7.289 7.459 1.052
207 HB3 GLU 26 HB3 GLU 26 7.307 5.811 1.663
208 HG2 GLU 26 HG2 GLU 26 9.180 6.227 3.026
209 HG3 GLU 26 HG3 GLU 26 9.518 7.761 2.224
210 H VAL 27 H VAL 27 8.061 3.770 0.453
211 HA VAL 27 HA VAL 27 10.319 2.844 1.894
212 HB VAL 27 HB VAL 27 8.037 1.760 1.934
213 HG11 VAL 27 HG11 VAL 27 8.963 0.537 -0.662
214 HG12 VAL 27 HG12 VAL 27 7.610 1.650 -0.457
215 HG13 VAL 27 HG13 VAL 27 7.547 0.044 0.268
216 HG21 VAL 27 HG21 VAL 27 8.927 -0.516 2.196
217 HG22 VAL 27 HG22 VAL 27 9.956 0.700 2.954
218 HG23 VAL 27 HG23 VAL 27 10.419 -0.006 1.406
219 H ALA 28 H ALA 28 9.523 2.996 -1.515
220 HA ALA 28 HA ALA 28 11.580 1.332 -2.494
221 HB1 ALA 28 HB1 ALA 28 10.316 3.733 -3.813
222 HB2 ALA 28 HB2 ALA 28 9.713 2.078 -3.886
223 HB3 ALA 28 HB3 ALA 28 11.263 2.483 -4.621
224 H ARG 29 H ARG 29 11.467 4.797 -1.801
225 HA ARG 29 HA ARG 29 14.115 5.355 -2.648
226 HB2 ARG 29 HB2 ARG 29 12.302 6.808 -0.711
227 HB3 ARG 29 HB3 ARG 29 13.835 7.444 -1.297
228 HG2 ARG 29 HG2 ARG 29 13.017 7.530 -3.541
229 HG3 ARG 29 HG3 ARG 29 11.543 6.678 -3.086
230 HD2 ARG 29 HD2 ARG 29 10.893 8.563 -1.662
231 HD3 ARG 29 HD3 ARG 29 12.372 9.412 -2.118
232 HE ARG 29 HE ARG 29 11.308 8.999 -4.510
233 HH11 ARG 29 HH11 ARG 29 9.755 10.104 -1.559
234 HH12 ARG 29 HH12 ARG 29 8.559 11.043 -2.407
235 HH21 ARG 29 HH21 ARG 29 9.743 10.209 -5.604
236 HH22 ARG 29 HH22 ARG 29 8.556 11.110 -4.706
237 H LEU 30 H LEU 30 12.697 4.428 0.445
238 HA LEU 30 HA LEU 30 15.034 4.763 1.999
239 HB2 LEU 30 HB2 LEU 30 12.557 4.445 2.719
240 HB3 LEU 30 HB3 LEU 30 12.907 2.734 2.613
241 HG LEU 30 HG LEU 30 14.491 4.612 4.366
242 HD11 LEU 30 HD11 LEU 30 12.159 4.674 5.062
243 HD12 LEU 30 HD12 LEU 30 13.142 3.793 6.234
244 HD13 LEU 30 HD13 LEU 30 12.112 2.912 5.105
245 HD21 LEU 30 HD21 LEU 30 15.128 2.554 5.518
246 HD22 LEU 30 HD22 LEU 30 15.589 2.499 3.817
247 HD23 LEU 30 HD23 LEU 30 14.170 1.611 4.374
248 H LYS 31 H LYS 31 13.605 1.838 0.502
249 HA LYS 31 HA LYS 31 15.655 0.110 1.387
250 HB2 LYS 31 HB2 LYS 31 14.796 -1.512 -0.205
251 HB3 LYS 31 HB3 LYS 31 13.477 -0.727 0.644
252 HG2 LYS 31 HG2 LYS 31 13.058 0.690 -1.300
253 HG3 LYS 31 HG3 LYS 31 14.401 -0.080 -2.147
254 HD2 LYS 31 HD2 LYS 31 13.267 -2.205 -2.120
255 HD3 LYS 31 HD3 LYS 31 11.975 -1.548 -1.113
256 HE2 LYS 31 HE2 LYS 31 11.391 0.013 -2.931
257 HE3 LYS 31 HE3 LYS 31 12.643 -0.715 -3.935
258 HZ1 LYS 31 HZ1 LYS 31 10.387 -2.266 -2.789
259 HZ2 LYS 31 HZ2 LYS 31 11.473 -2.749 -4.002
260 HZ3 LYS 31 HZ3 LYS 31 10.326 -1.536 -4.321
261 H LYS 32 H LYS 32 15.340 2.115 -1.483
262 HA LYS 32 HA LYS 32 17.570 1.011 -2.855
263 HB2 LYS 32 HB2 LYS 32 15.712 2.521 -3.812
264 HB3 LYS 32 HB3 LYS 32 16.635 3.861 -3.148
265 HG2 LYS 32 HG2 LYS 32 18.532 2.430 -4.531
266 HG3 LYS 32 HG3 LYS 32 17.095 2.284 -5.541
267 HD2 LYS 32 HD2 LYS 32 18.252 4.225 -6.270
268 HD3 LYS 32 HD3 LYS 32 16.846 4.784 -5.363
269 HE2 LYS 32 HE2 LYS 32 18.898 6.050 -4.821
270 HE3 LYS 32 HE3 LYS 32 18.220 5.220 -3.420
271 HZ1 LYS 32 HZ1 LYS 32 20.281 3.853 -5.002
272 HZ2 LYS 32 HZ2 LYS 32 19.947 3.743 -3.345
273 HZ3 LYS 32 HZ3 LYS 32 20.766 5.097 -3.959
274 H LEU 33 H LEU 33 17.174 3.500 -0.416
275 HA LEU 33 HA LEU 33 19.840 4.539 -0.687
276 HB2 LEU 33 HB2 LEU 33 17.950 5.912 0.093
277 HB3 LEU 33 HB3 LEU 33 17.814 4.903 1.520
278 HG LEU 33 HG LEU 33 20.074 5.623 2.221
279 HD11 LEU 33 HD11 LEU 33 20.994 6.143 0.031
280 HD12 LEU 33 HD12 LEU 33 21.116 7.534 1.110
281 HD13 LEU 33 HD13 LEU 33 19.870 7.488 -0.137
282 HD21 LEU 33 HD21 LEU 33 18.093 6.764 3.072
283 HD22 LEU 33 HD22 LEU 33 18.136 7.875 1.703
284 HD23 LEU 33 HD23 LEU 33 19.443 7.883 2.887
285 H VAL 34 H VAL 34 18.206 2.307 1.553
286 HA VAL 34 HA VAL 34 20.489 1.995 3.235
287 HB VAL 34 HB VAL 34 18.208 1.482 4.036
288 HG11 VAL 34 HG11 VAL 34 17.266 0.451 2.071
289 HG12 VAL 34 HG12 VAL 34 17.158 -0.660 3.437
290 HG13 VAL 34 HG13 VAL 34 18.395 -0.899 2.203
291 HG21 VAL 34 HG21 VAL 34 20.110 0.568 5.224
292 HG22 VAL 34 HG22 VAL 34 20.132 -0.837 4.156
293 HG23 VAL 34 HG23 VAL 34 18.772 -0.579 5.249
294 H GLY 35 H GLY 35 19.352 0.439 0.320
295 HA2 GLY 35 HA2 GLY 35 21.188 -1.728 0.336
296 HA3 GLY 35 HA3 GLY 35 20.373 -1.074 -1.079
297 H GLU 36 H GLU 36 21.260 1.239 -1.639
298 HA GLU 36 HA GLU 36 24.127 1.472 -1.202
299 HB2 GLU 36 HB2 GLU 36 22.916 1.175 -3.956
300 HB3 GLU 36 HB3 GLU 36 24.546 1.754 -3.655
301 HG2 GLU 36 HG2 GLU 36 24.995 -0.438 -2.509
302 HG3 GLU 36 HG3 GLU 36 23.432 -0.981 -3.121
303 H ARG 37 H ARG 37 24.870 3.455 -2.672
304 HA ARG 37 HA ARG 37 23.103 5.647 -1.958
305 HB2 ARG 37 HB2 ARG 37 25.523 5.796 -1.477
306 HB3 ARG 37 HB3 ARG 37 25.859 5.699 -3.200
307 HG2 ARG 37 HG2 ARG 37 24.660 7.796 -3.556
308 HG3 ARG 37 HG3 ARG 37 24.313 7.887 -1.829
309 HD2 ARG 37 HD2 ARG 37 26.696 7.989 -1.341
310 HD3 ARG 37 HD3 ARG 37 27.063 7.861 -3.062
311 HE ARG 37 HE ARG 37 25.417 10.103 -2.121
312 HH11 ARG 37 HH11 ARG 37 28.446 8.916 -3.432
313 HH12 ARG 37 HH12 ARG 37 29.012 10.493 -3.901
314 HH21 ARG 37 HH21 ARG 37 26.147 12.174 -2.726
315 HH22 ARG 37 HH22 ARG 37 27.687 12.353 -3.515
316 HA2 GLY 0 HA2 GLY 0 -25.348 -8.645 -0.235
317 HA3 GLY 0 HA3 GLY 0 -26.478 -9.905 0.237
318 H ALA 1 H ALA 1 -28.348 -10.201 -0.896
319 HA ALA 1 HA ALA 1 -29.697 -10.240 -2.720
320 HB1 ALA 1 HB1 ALA 1 -30.465 -8.122 -3.641
321 HB2 ALA 1 HB2 ALA 1 -29.139 -7.274 -2.846
322 HB3 ALA 1 HB3 ALA 1 -30.400 -8.039 -1.879
323 H GLY 2 H GLY 2 -27.565 -11.368 -3.401
324 HA2 GLY 2 HA2 GLY 2 -26.709 -11.884 -5.599
325 HA3 GLY 2 HA3 GLY 2 -26.709 -10.160 -5.948
326 H SER 3 H SER 3 -24.663 -12.542 -5.630
327 HA SER 3 HA SER 3 -22.825 -11.386 -3.709
328 HB2 SER 3 HB2 SER 3 -22.529 -13.764 -5.563
329 HB3 SER 3 HB3 SER 3 -21.355 -13.288 -4.336
330 HG SER 3 HG SER 3 -24.082 -13.887 -3.770
331 H SER 4 H SER 4 -23.638 -10.483 -6.690
332 HA SER 4 HA SER 4 -21.271 -10.253 -8.135
333 HB2 SER 4 HB2 SER 4 -23.570 -8.286 -8.153
334 HB3 SER 4 HB3 SER 4 -22.442 -8.629 -9.467
335 HG SER 4 HG SER 4 -24.272 -9.779 -9.903
336 H SER 5 H SER 5 -22.901 -7.649 -6.314
337 HA SER 5 HA SER 5 -20.621 -5.983 -6.275
338 HB2 SER 5 HB2 SER 5 -22.929 -5.819 -4.333
339 HB3 SER 5 HB3 SER 5 -21.958 -4.502 -4.994
340 HG SER 5 HG SER 5 -23.183 -4.450 -6.710
341 H LEU 6 H LEU 6 -21.957 -8.404 -4.165
342 HA LEU 6 HA LEU 6 -20.630 -7.779 -1.798
343 HB2 LEU 6 HB2 LEU 6 -22.549 -9.272 -1.889
344 HB3 LEU 6 HB3 LEU 6 -21.632 -10.434 -2.826
345 HG LEU 6 HG LEU 6 -20.105 -10.720 -0.862
346 HD11 LEU 6 HD11 LEU 6 -20.564 -8.561 0.215
347 HD12 LEU 6 HD12 LEU 6 -20.828 -9.916 1.310
348 HD13 LEU 6 HD13 LEU 6 -22.205 -9.099 0.573
349 HD21 LEU 6 HD21 LEU 6 -21.637 -12.118 0.390
350 HD22 LEU 6 HD22 LEU 6 -21.955 -12.269 -1.338
351 HD23 LEU 6 HD23 LEU 6 -23.018 -11.289 -0.328
352 H GLU 7 H GLU 7 -19.814 -10.340 -4.166
353 HA GLU 7 HA GLU 7 -17.544 -11.176 -2.732
354 HB2 GLU 7 HB2 GLU 7 -19.017 -12.241 -4.732
355 HB3 GLU 7 HB3 GLU 7 -17.628 -11.677 -5.646
356 HG2 GLU 7 HG2 GLU 7 -17.177 -13.909 -5.071
357 HG3 GLU 7 HG3 GLU 7 -16.182 -12.915 -4.005
358 H ALA 8 H ALA 8 -18.001 -9.023 -5.480
359 HA ALA 8 HA ALA 8 -15.421 -8.726 -6.374
360 HB1 ALA 8 HB1 ALA 8 -16.136 -6.565 -7.269
361 HB2 ALA 8 HB2 ALA 8 -17.566 -6.609 -6.237
362 HB3 ALA 8 HB3 ALA 8 -17.368 -7.801 -7.521
363 H VAL 9 H VAL 9 -17.079 -6.621 -4.007
364 HA VAL 9 HA VAL 9 -14.716 -5.172 -3.436
365 HB VAL 9 HB VAL 9 -16.913 -4.147 -3.143
366 HG11 VAL 9 HG11 VAL 9 -18.346 -4.718 -1.246
367 HG12 VAL 9 HG12 VAL 9 -17.288 -6.075 -0.856
368 HG13 VAL 9 HG13 VAL 9 -18.187 -6.063 -2.373
369 HG21 VAL 9 HG21 VAL 9 -15.346 -4.364 -0.580
370 HG22 VAL 9 HG22 VAL 9 -16.542 -3.119 -0.942
371 HG23 VAL 9 HG23 VAL 9 -15.064 -3.224 -1.899
372 H ARG 10 H ARG 10 -16.381 -7.877 -1.914
373 HA ARG 10 HA ARG 10 -15.129 -7.971 0.537
374 HB2 ARG 10 HB2 ARG 10 -17.030 -9.383 -0.003
375 HB3 ARG 10 HB3 ARG 10 -16.090 -10.236 -1.220
376 HG2 ARG 10 HG2 ARG 10 -14.596 -11.055 0.583
377 HG3 ARG 10 HG3 ARG 10 -15.676 -10.304 1.759
378 HD2 ARG 10 HD2 ARG 10 -17.517 -11.693 0.979
379 HD3 ARG 10 HD3 ARG 10 -16.471 -12.410 -0.244
380 HE ARG 10 HE ARG 10 -15.807 -12.690 2.609
381 HH11 ARG 10 HH11 ARG 10 -16.680 -14.117 -0.476
382 HH12 ARG 10 HH12 ARG 10 -16.342 -15.747 0.045
383 HH21 ARG 10 HH21 ARG 10 -15.373 -14.828 3.301
384 HH22 ARG 10 HH22 ARG 10 -15.616 -16.147 2.199
385 H ARG 11 H ARG 11 -14.105 -9.427 -2.532
386 HA ARG 11 HA ARG 11 -11.907 -10.807 -1.412
387 HB2 ARG 11 HB2 ARG 11 -13.000 -11.469 -3.530
388 HB3 ARG 11 HB3 ARG 11 -12.400 -9.998 -4.284
389 HG2 ARG 11 HG2 ARG 11 -10.099 -10.750 -3.899
390 HG3 ARG 11 HG3 ARG 11 -10.720 -12.246 -3.199
391 HD2 ARG 11 HD2 ARG 11 -10.058 -12.532 -5.542
392 HD3 ARG 11 HD3 ARG 11 -11.780 -12.820 -5.307
393 HE ARG 11 HE ARG 11 -12.251 -10.792 -6.416
394 HH11 ARG 11 HH11 ARG 11 -8.833 -11.548 -6.358
395 HH12 ARG 11 HH12 ARG 11 -8.436 -10.439 -7.639
396 HH21 ARG 11 HH21 ARG 11 -11.729 -9.328 -8.090
397 HH22 ARG 11 HH22 ARG 11 -10.073 -9.172 -8.607
398 H LYS 12 H LYS 12 -12.140 -7.776 -3.281
399 HA LYS 12 HA LYS 12 -9.343 -7.540 -3.528
400 HB2 LYS 12 HB2 LYS 12 -10.945 -6.595 -5.147
401 HB3 LYS 12 HB3 LYS 12 -11.454 -5.423 -3.940
402 HG2 LYS 12 HG2 LYS 12 -9.416 -4.282 -4.018
403 HG3 LYS 12 HG3 LYS 12 -8.593 -5.628 -4.806
404 HD2 LYS 12 HD2 LYS 12 -8.991 -3.819 -6.386
405 HD3 LYS 12 HD3 LYS 12 -9.925 -5.250 -6.829
406 HE2 LYS 12 HE2 LYS 12 -11.912 -4.254 -5.784
407 HE3 LYS 12 HE3 LYS 12 -10.969 -2.816 -5.383
408 HZ1 LYS 12 HZ1 LYS 12 -10.580 -2.474 -7.757
409 HZ2 LYS 12 HZ2 LYS 12 -12.234 -2.455 -7.393
410 HZ3 LYS 12 HZ3 LYS 12 -11.537 -3.825 -8.118
411 H ILE 13 H ILE 13 -11.663 -6.178 -1.217
412 HA ILE 13 HA ILE 13 -9.904 -4.191 -0.258
413 HB ILE 13 HB ILE 13 -11.400 -4.013 1.705
414 HG12 ILE 13 HG12 ILE 13 -13.663 -5.354 1.248
415 HG13 ILE 13 HG13 ILE 13 -12.538 -6.517 0.557
416 HG21 ILE 13 HG21 ILE 13 -13.351 -3.222 0.459
417 HG22 ILE 13 HG22 ILE 13 -12.765 -4.068 -0.973
418 HG23 ILE 13 HG23 ILE 13 -11.832 -2.736 -0.293
419 HD11 ILE 13 HD11 ILE 13 -12.482 -5.450 3.371
420 HD12 ILE 13 HD12 ILE 13 -11.337 -6.604 2.688
421 HD13 ILE 13 HD13 ILE 13 -13.034 -7.047 2.868
422 H ARG 14 H ARG 14 -10.296 -7.573 0.467
423 HA ARG 14 HA ARG 14 -8.988 -7.576 2.970
424 HB2 ARG 14 HB2 ARG 14 -10.394 -9.446 1.828
425 HB3 ARG 14 HB3 ARG 14 -8.884 -9.881 1.038
426 HG2 ARG 14 HG2 ARG 14 -8.135 -9.681 3.662
427 HG3 ARG 14 HG3 ARG 14 -9.770 -10.338 3.774
428 HD2 ARG 14 HD2 ARG 14 -8.320 -12.200 3.645
429 HD3 ARG 14 HD3 ARG 14 -9.064 -12.047 2.053
430 HE ARG 14 HE ARG 14 -7.012 -11.325 1.170
431 HH11 ARG 14 HH11 ARG 14 -6.818 -12.059 4.589
432 HH12 ARG 14 HH12 ARG 14 -5.079 -12.066 4.621
433 HH21 ARG 14 HH21 ARG 14 -4.708 -11.359 1.214
434 HH22 ARG 14 HH22 ARG 14 -3.890 -11.697 2.710
435 H SER 15 H SER 15 -7.931 -7.968 -0.366
436 HA SER 15 HA SER 15 -5.246 -8.575 0.145
437 HB2 SER 15 HB2 SER 15 -6.313 -7.088 -2.263
438 HB3 SER 15 HB3 SER 15 -4.886 -8.124 -2.182
439 HG SER 15 HG SER 15 -6.697 -9.725 -1.430
440 H LEU 16 H LEU 16 -6.973 -5.535 -0.298
441 HA LEU 16 HA LEU 16 -4.738 -3.864 -0.490
442 HB2 LEU 16 HB2 LEU 16 -7.536 -3.263 0.469
443 HB3 LEU 16 HB3 LEU 16 -6.329 -2.046 0.092
444 HG LEU 16 HG LEU 16 -7.555 -3.999 -1.862
445 HD11 LEU 16 HD11 LEU 16 -7.881 -1.017 -1.575
446 HD12 LEU 16 HD12 LEU 16 -9.089 -2.235 -1.166
447 HD13 LEU 16 HD13 LEU 16 -8.586 -2.020 -2.843
448 HD21 LEU 16 HD21 LEU 16 -6.332 -2.781 -3.572
449 HD22 LEU 16 HD22 LEU 16 -5.221 -3.491 -2.400
450 HD23 LEU 16 HD23 LEU 16 -5.585 -1.766 -2.337
451 H GLN 17 H GLN 17 -6.571 -5.047 2.282
452 HA GLN 17 HA GLN 17 -5.494 -3.356 4.225
453 HB2 GLN 17 HB2 GLN 17 -6.435 -6.218 4.486
454 HB3 GLN 17 HB3 GLN 17 -6.130 -5.133 5.835
455 HG2 GLN 17 HG2 GLN 17 -7.881 -3.632 5.011
456 HG3 GLN 17 HG3 GLN 17 -8.202 -4.749 3.688
457 HE21 GLN 17 HE21 GLN 17 -9.958 -3.818 5.814
458 HE22 GLN 17 HE22 GLN 17 -10.516 -5.235 6.640
459 H GLU 18 H GLU 18 -4.473 -6.606 3.206
460 HA GLU 18 HA GLU 18 -2.249 -6.779 4.902
461 HB2 GLU 18 HB2 GLU 18 -3.481 -8.601 3.499
462 HB3 GLU 18 HB3 GLU 18 -2.375 -8.130 2.220
463 HG2 GLU 18 HG2 GLU 18 -1.396 -8.957 4.930
464 HG3 GLU 18 HG3 GLU 18 -1.752 -10.130 3.669
465 H GLN 19 H GLN 19 -2.645 -5.648 1.582
466 HA GLN 19 HA GLN 19 -0.011 -5.215 0.881
467 HB2 GLN 19 HB2 GLN 19 -1.885 -5.034 -0.693
468 HB3 GLN 19 HB3 GLN 19 -2.443 -3.580 0.125
469 HG2 GLN 19 HG2 GLN 19 -1.279 -3.017 -1.914
470 HG3 GLN 19 HG3 GLN 19 -0.386 -2.432 -0.514
471 HE21 GLN 19 HE21 GLN 19 1.578 -3.396 0.023
472 HE22 GLN 19 HE22 GLN 19 2.431 -4.410 -1.087
473 H ASN 20 H ASN 20 -2.255 -3.066 2.580
474 HA ASN 20 HA ASN 20 -0.559 -0.842 2.716
475 HB2 ASN 20 HB2 ASN 20 -2.991 -1.718 4.203
476 HB3 ASN 20 HB3 ASN 20 -2.036 -0.401 4.872
477 HD21 ASN 20 HD21 ASN 20 -4.081 -1.426 2.249
478 HD22 ASN 20 HD22 ASN 20 -4.340 0.152 1.585
479 H TYR 21 H TYR 21 -1.195 -3.406 5.115
480 HA TYR 21 HA TYR 21 0.594 -2.383 7.023
481 HB2 TYR 21 HB2 TYR 21 -1.111 -3.950 7.730
482 HB3 TYR 21 HB3 TYR 21 -0.466 -5.195 6.661
483 HD1 TYR 21 HD1 TYR 21 0.410 -3.110 9.618
484 HD2 TYR 21 HD2 TYR 21 1.193 -6.681 7.435
485 HE1 TYR 21 HE1 TYR 21 1.923 -3.863 11.402
486 HE2 TYR 21 HE2 TYR 21 2.713 -7.439 9.217
487 HH TYR 21 HH TYR 21 4.121 -6.347 11.018
488 H HIS 22 H HIS 22 0.975 -4.596 4.335
489 HA HIS 22 HA HIS 22 3.427 -5.715 4.978
490 HB2 HIS 22 HB2 HIS 22 1.718 -6.061 2.950
491 HB3 HIS 22 HB3 HIS 22 2.884 -5.025 2.132
492 HD1 HIS 22 HD1 HIS 22 2.332 -8.455 3.335
493 HD2 HIS 22 HD2 HIS 22 5.511 -6.174 1.916
494 HE1 HIS 22 HE1 HIS 22 4.160 -10.099 2.782
495 HE2 HIS 22 HE2 HIS 22 6.127 -8.677 2.107
496 H LEU 23 H LEU 23 2.650 -2.689 3.324
497 HA LEU 23 HA LEU 23 5.350 -2.001 2.770
498 HB2 LEU 23 HB2 LEU 23 2.884 -0.267 2.936
499 HB3 LEU 23 HB3 LEU 23 4.428 0.232 2.269
500 HG LEU 23 HG LEU 23 2.714 -1.992 1.151
501 HD11 LEU 23 HD11 LEU 23 3.110 0.837 0.192
502 HD12 LEU 23 HD12 LEU 23 1.625 0.159 0.860
503 HD13 LEU 23 HD13 LEU 23 2.252 -0.430 -0.681
504 HD21 LEU 23 HD21 LEU 23 5.188 -0.649 0.070
505 HD22 LEU 23 HD22 LEU 23 4.233 -1.879 -0.757
506 HD23 LEU 23 HD23 LEU 23 5.101 -2.285 0.722
507 H GLU 24 H GLU 24 3.021 -1.090 5.262
508 HA GLU 24 HA GLU 24 4.550 0.719 6.706
509 HB2 GLU 24 HB2 GLU 24 2.176 0.412 7.107
510 HB3 GLU 24 HB3 GLU 24 2.443 -1.247 7.619
511 HG2 GLU 24 HG2 GLU 24 2.033 0.134 9.532
512 HG3 GLU 24 HG3 GLU 24 3.704 -0.424 9.558
513 H ASN 25 H ASN 25 4.255 -2.789 7.055
514 HA ASN 25 HA ASN 25 5.881 -3.122 9.283
515 HB2 ASN 25 HB2 ASN 25 4.393 -4.870 8.366
516 HB3 ASN 25 HB3 ASN 25 5.453 -5.031 6.969
517 HD21 ASN 25 HD21 ASN 25 7.417 -6.095 7.186
518 HD22 ASN 25 HD22 ASN 25 7.818 -7.017 8.605
519 H GLU 26 H GLU 26 6.686 -3.291 5.830
520 HA GLU 26 HA GLU 26 9.376 -3.979 6.220
521 HB2 GLU 26 HB2 GLU 26 7.676 -3.293 3.956
522 HB3 GLU 26 HB3 GLU 26 9.320 -2.690 3.776
523 HG2 GLU 26 HG2 GLU 26 9.232 -4.834 2.774
524 HG3 GLU 26 HG3 GLU 26 10.139 -4.989 4.277
525 H VAL 27 H VAL 27 7.845 -0.812 5.578
526 HA VAL 27 HA VAL 27 10.259 0.585 5.341
527 HB VAL 27 HB VAL 27 8.066 1.496 4.601
528 HG11 VAL 27 HG11 VAL 27 6.674 0.915 6.482
529 HG12 VAL 27 HG12 VAL 27 6.636 2.661 6.220
530 HG13 VAL 27 HG13 VAL 27 7.601 1.985 7.533
531 HG21 VAL 27 HG21 VAL 27 8.513 3.821 5.248
532 HG22 VAL 27 HG22 VAL 27 9.979 2.959 4.778
533 HG23 VAL 27 HG23 VAL 27 9.633 3.246 6.484
534 H ALA 28 H ALA 28 8.270 -0.205 8.136
535 HA ALA 28 HA ALA 28 9.653 1.322 10.043
536 HB1 ALA 28 HB1 ALA 28 8.611 -0.158 11.689
537 HB2 ALA 28 HB2 ALA 28 8.142 -1.264 10.397
538 HB3 ALA 28 HB3 ALA 28 7.450 0.356 10.463
539 H ARG 29 H ARG 29 9.974 -2.058 9.023
540 HA ARG 29 HA ARG 29 12.018 -2.778 10.795
541 HB2 ARG 29 HB2 ARG 29 10.528 -4.269 9.311
542 HB3 ARG 29 HB3 ARG 29 11.672 -3.916 8.023
543 HG2 ARG 29 HG2 ARG 29 13.481 -4.835 9.452
544 HG3 ARG 29 HG3 ARG 29 12.251 -5.316 10.624
545 HD2 ARG 29 HD2 ARG 29 11.157 -6.461 8.542
546 HD3 ARG 29 HD3 ARG 29 12.790 -6.366 7.882
547 HE ARG 29 HE ARG 29 12.428 -7.575 10.524
548 HH11 ARG 29 HH11 ARG 29 13.210 -7.955 7.120
549 HH12 ARG 29 HH12 ARG 29 13.696 -9.612 7.301
550 HH21 ARG 29 HH21 ARG 29 13.083 -9.747 10.742
551 HH22 ARG 29 HH22 ARG 29 13.635 -10.618 9.344
552 H LEU 30 H LEU 30 12.090 -1.574 7.465
553 HA LEU 30 HA LEU 30 14.853 -1.857 7.093
554 HB2 LEU 30 HB2 LEU 30 12.643 -0.488 5.682
555 HB3 LEU 30 HB3 LEU 30 14.267 0.066 5.329
556 HG LEU 30 HG LEU 30 14.913 -2.179 4.615
557 HD11 LEU 30 HD11 LEU 30 12.053 -2.973 5.123
558 HD12 LEU 30 HD12 LEU 30 13.428 -3.445 6.120
559 HD13 LEU 30 HD13 LEU 30 13.328 -3.985 4.443
560 HD21 LEU 30 HD21 LEU 30 14.022 -0.684 2.944
561 HD22 LEU 30 HD22 LEU 30 12.375 -1.175 3.341
562 HD23 LEU 30 HD23 LEU 30 13.489 -2.332 2.615
563 H LYS 31 H LYS 31 12.920 0.980 8.110
564 HA LYS 31 HA LYS 31 15.159 2.698 8.100
565 HB2 LYS 31 HB2 LYS 31 13.765 4.291 9.315
566 HB3 LYS 31 HB3 LYS 31 12.890 3.588 7.968
567 HG2 LYS 31 HG2 LYS 31 11.296 3.607 9.605
568 HG3 LYS 31 HG3 LYS 31 11.941 1.974 9.775
569 HD2 LYS 31 HD2 LYS 31 13.287 2.648 11.653
570 HD3 LYS 31 HD3 LYS 31 12.835 4.340 11.419
571 HE2 LYS 31 HE2 LYS 31 10.503 3.778 11.898
572 HE3 LYS 31 HE3 LYS 31 10.957 2.090 12.134
573 HZ1 LYS 31 HZ1 LYS 31 10.711 3.524 14.187
574 HZ2 LYS 31 HZ2 LYS 31 12.168 4.268 13.733
575 HZ3 LYS 31 HZ3 LYS 31 12.131 2.606 14.067
576 H LYS 32 H LYS 32 13.783 0.539 10.477
577 HA LYS 32 HA LYS 32 15.401 1.415 12.645
578 HB2 LYS 32 HB2 LYS 32 13.398 0.186 13.113
579 HB3 LYS 32 HB3 LYS 32 13.908 -1.156 12.101
580 HG2 LYS 32 HG2 LYS 32 15.753 -0.572 14.287
581 HG3 LYS 32 HG3 LYS 32 14.132 -1.026 14.818
582 HD2 LYS 32 HD2 LYS 32 14.241 -3.052 13.474
583 HD3 LYS 32 HD3 LYS 32 15.835 -2.591 12.878
584 HE2 LYS 32 HE2 LYS 32 15.160 -3.097 15.770
585 HE3 LYS 32 HE3 LYS 32 15.908 -4.275 14.693
586 HZ1 LYS 32 HZ1 LYS 32 17.609 -3.226 15.964
587 HZ2 LYS 32 HZ2 LYS 32 17.052 -1.675 15.563
588 HZ3 LYS 32 HZ3 LYS 32 17.740 -2.667 14.367
589 H LEU 33 H LEU 33 15.850 -0.738 9.969
590 HA LEU 33 HA LEU 33 18.223 -1.986 10.978
591 HB2 LEU 33 HB2 LEU 33 16.659 -3.040 9.343
592 HB3 LEU 33 HB3 LEU 33 17.157 -1.861 8.151
593 HG LEU 33 HG LEU 33 18.151 -4.217 8.017
594 HD11 LEU 33 HD11 LEU 33 18.994 -2.380 6.693
595 HD12 LEU 33 HD12 LEU 33 20.328 -3.376 7.276
596 HD13 LEU 33 HD13 LEU 33 19.982 -1.826 8.045
597 HD21 LEU 33 HD21 LEU 33 20.134 -4.619 9.381
598 HD22 LEU 33 HD22 LEU 33 18.689 -4.474 10.380
599 HD23 LEU 33 HD23 LEU 33 19.826 -3.131 10.276
600 H VAL 34 H VAL 34 17.514 0.609 8.656
601 HA VAL 34 HA VAL 34 20.232 1.050 7.949
602 HB VAL 34 HB VAL 34 18.257 1.740 6.563
603 HG11 VAL 34 HG11 VAL 34 18.095 4.011 8.528
604 HG12 VAL 34 HG12 VAL 34 16.895 2.739 8.297
605 HG13 VAL 34 HG13 VAL 34 17.214 3.895 7.005
606 HG21 VAL 34 HG21 VAL 34 19.280 3.821 5.742
607 HG22 VAL 34 HG22 VAL 34 20.465 2.546 6.014
608 HG23 VAL 34 HG23 VAL 34 20.308 3.864 7.176
609 H GLY 35 H GLY 35 18.335 2.006 10.644
610 HA2 GLY 35 HA2 GLY 35 19.829 4.281 11.452
611 HA3 GLY 35 HA3 GLY 35 18.800 3.298 12.485
612 H GLU 36 H GLU 36 20.405 0.872 11.659
613 HA GLU 36 HA GLU 36 22.492 1.186 13.664
614 HB2 GLU 36 HB2 GLU 36 21.509 -1.250 12.161
615 HB3 GLU 36 HB3 GLU 36 22.765 -1.276 13.390
616 HG2 GLU 36 HG2 GLU 36 19.879 -0.521 13.781
617 HG3 GLU 36 HG3 GLU 36 20.683 -1.985 14.350
618 H ARG 37 H ARG 37 24.394 1.910 13.024
619 HA ARG 37 HA ARG 37 25.336 1.205 10.319
620 HB2 ARG 37 HB2 ARG 37 26.135 3.704 11.798
621 HB3 ARG 37 HB3 ARG 37 26.267 3.366 10.077
622 HG2 ARG 37 HG2 ARG 37 23.813 3.441 9.900
623 HG3 ARG 37 HG3 ARG 37 23.719 3.847 11.613
624 HD2 ARG 37 HD2 ARG 37 23.562 5.904 10.522
625 HD3 ARG 37 HD3 ARG 37 25.244 5.815 11.042
626 HE ARG 37 HE ARG 37 24.703 4.886 8.346
627 HH11 ARG 37 HH11 ARG 37 25.806 7.504 10.403
628 HH12 ARG 37 HH12 ARG 37 26.470 8.416 9.084
629 HH21 ARG 37 HH21 ARG 37 25.567 6.102 6.613
630 HH22 ARG 37 HH22 ARG 37 26.342 7.629 6.950
Start of MODEL 8
1 HA2 GLY 0 HA2 GLY 0 -31.679 15.553 2.653
2 HA3 GLY 0 HA3 GLY 0 -33.346 15.256 2.183
3 H ALA 1 H ALA 1 -30.329 14.235 0.589
4 HA ALA 1 HA ALA 1 -31.288 11.462 0.770
5 HB1 ALA 1 HB1 ALA 1 -29.178 12.655 -1.031
6 HB2 ALA 1 HB2 ALA 1 -30.845 12.304 -1.488
7 HB3 ALA 1 HB3 ALA 1 -29.749 10.988 -1.067
8 H GLY 2 H GLY 2 -29.663 9.772 1.185
9 HA2 GLY 2 HA2 GLY 2 -27.981 10.581 3.415
10 HA3 GLY 2 HA3 GLY 2 -28.344 8.933 2.923
11 H SER 3 H SER 3 -26.828 11.764 1.391
12 HA SER 3 HA SER 3 -24.993 10.171 -0.088
13 HB2 SER 3 HB2 SER 3 -24.864 13.140 0.474
14 HB3 SER 3 HB3 SER 3 -24.095 12.279 -0.861
15 HG SER 3 HG SER 3 -26.027 13.264 -1.546
16 H SER 4 H SER 4 -25.020 11.359 3.092
17 HA SER 4 HA SER 4 -22.348 11.861 3.653
18 HB2 SER 4 HB2 SER 4 -24.333 10.526 5.511
19 HB3 SER 4 HB3 SER 4 -22.922 11.482 5.969
20 HG SER 4 HG SER 4 -23.946 13.272 4.875
21 H SER 5 H SER 5 -24.091 8.785 3.550
22 HA SER 5 HA SER 5 -22.072 7.174 4.649
23 HB2 SER 5 HB2 SER 5 -24.108 6.307 2.593
24 HB3 SER 5 HB3 SER 5 -23.350 5.322 3.846
25 HG SER 5 HG SER 5 -24.432 7.193 5.210
26 H LEU 6 H LEU 6 -22.800 8.100 1.314
27 HA LEU 6 HA LEU 6 -20.883 6.391 0.109
28 HB2 LEU 6 HB2 LEU 6 -22.934 7.548 -0.938
29 HB3 LEU 6 HB3 LEU 6 -21.908 8.958 -1.081
30 HG LEU 6 HG LEU 6 -21.138 6.313 -2.304
31 HD11 LEU 6 HD11 LEU 6 -23.330 6.917 -3.179
32 HD12 LEU 6 HD12 LEU 6 -22.085 7.138 -4.408
33 HD13 LEU 6 HD13 LEU 6 -22.746 8.535 -3.559
34 HD21 LEU 6 HD21 LEU 6 -19.364 7.985 -2.086
35 HD22 LEU 6 HD22 LEU 6 -20.365 9.163 -2.935
36 HD23 LEU 6 HD23 LEU 6 -19.791 7.725 -3.778
37 H GLU 7 H GLU 7 -20.870 9.820 1.010
38 HA GLU 7 HA GLU 7 -18.294 10.418 0.035
39 HB2 GLU 7 HB2 GLU 7 -19.916 12.164 0.583
40 HB3 GLU 7 HB3 GLU 7 -19.862 11.711 2.280
41 HG2 GLU 7 HG2 GLU 7 -18.574 13.722 1.862
42 HG3 GLU 7 HG3 GLU 7 -17.539 12.408 2.411
43 H ALA 8 H ALA 8 -19.427 9.240 3.171
44 HA ALA 8 HA ALA 8 -17.003 9.401 4.565
45 HB1 ALA 8 HB1 ALA 8 -19.167 8.958 5.646
46 HB2 ALA 8 HB2 ALA 8 -17.944 7.772 6.098
47 HB3 ALA 8 HB3 ALA 8 -19.186 7.351 4.921
48 H VAL 9 H VAL 9 -18.396 6.675 2.736
49 HA VAL 9 HA VAL 9 -16.213 4.928 3.053
50 HB VAL 9 HB VAL 9 -18.186 5.095 0.765
51 HG11 VAL 9 HG11 VAL 9 -16.210 3.831 0.118
52 HG12 VAL 9 HG12 VAL 9 -17.595 2.762 0.322
53 HG13 VAL 9 HG13 VAL 9 -16.352 2.839 1.570
54 HG21 VAL 9 HG21 VAL 9 -18.195 3.386 3.252
55 HG22 VAL 9 HG22 VAL 9 -19.368 3.303 1.938
56 HG23 VAL 9 HG23 VAL 9 -19.258 4.757 2.930
57 H ARG 10 H ARG 10 -17.021 7.171 0.410
58 HA ARG 10 HA ARG 10 -14.834 6.721 -1.243
59 HB2 ARG 10 HB2 ARG 10 -16.664 8.078 -2.006
60 HB3 ARG 10 HB3 ARG 10 -16.404 9.252 -0.723
61 HG2 ARG 10 HG2 ARG 10 -14.161 9.724 -1.751
62 HG3 ARG 10 HG3 ARG 10 -14.658 8.723 -3.115
63 HD2 ARG 10 HD2 ARG 10 -16.233 11.097 -2.140
64 HD3 ARG 10 HD3 ARG 10 -15.002 11.203 -3.395
65 HE ARG 10 HE ARG 10 -16.467 9.409 -4.533
66 HH11 ARG 10 HH11 ARG 10 -17.697 11.979 -2.483
67 HH12 ARG 10 HH12 ARG 10 -19.166 12.163 -3.400
68 HH21 ARG 10 HH21 ARG 10 -18.410 9.640 -5.711
69 HH22 ARG 10 HH22 ARG 10 -19.577 10.830 -5.208
70 H ARG 11 H ARG 11 -15.168 8.973 1.464
71 HA ARG 11 HA ARG 11 -12.705 10.258 1.250
72 HB2 ARG 11 HB2 ARG 11 -14.594 10.964 2.713
73 HB3 ARG 11 HB3 ARG 11 -14.223 9.625 3.786
74 HG2 ARG 11 HG2 ARG 11 -13.330 11.704 4.653
75 HG3 ARG 11 HG3 ARG 11 -12.025 10.589 4.239
76 HD2 ARG 11 HD2 ARG 11 -11.616 12.947 3.540
77 HD3 ARG 11 HD3 ARG 11 -11.562 11.778 2.219
78 HE ARG 11 HE ARG 11 -14.043 12.546 1.958
79 HH11 ARG 11 HH11 ARG 11 -11.311 14.564 2.798
80 HH12 ARG 11 HH12 ARG 11 -11.958 15.974 2.017
81 HH21 ARG 11 HH21 ARG 11 -14.900 14.380 0.935
82 HH22 ARG 11 HH22 ARG 11 -14.006 15.883 0.983
83 H LYS 12 H LYS 12 -13.604 7.372 3.130
84 HA LYS 12 HA LYS 12 -11.003 7.105 4.267
85 HB2 LYS 12 HB2 LYS 12 -13.149 6.267 5.289
86 HB3 LYS 12 HB3 LYS 12 -13.131 4.972 4.102
87 HG2 LYS 12 HG2 LYS 12 -12.265 4.184 6.216
88 HG3 LYS 12 HG3 LYS 12 -10.986 4.188 5.003
89 HD2 LYS 12 HD2 LYS 12 -11.313 6.574 6.772
90 HD3 LYS 12 HD3 LYS 12 -10.558 5.123 7.430
91 HE2 LYS 12 HE2 LYS 12 -8.867 5.172 5.708
92 HE3 LYS 12 HE3 LYS 12 -9.666 6.529 4.916
93 HZ1 LYS 12 HZ1 LYS 12 -7.752 7.227 6.227
94 HZ2 LYS 12 HZ2 LYS 12 -8.458 6.598 7.635
95 HZ3 LYS 12 HZ3 LYS 12 -9.183 7.905 6.832
96 H ILE 13 H ILE 13 -12.662 5.510 1.533
97 HA ILE 13 HA ILE 13 -10.526 3.680 1.078
98 HB ILE 13 HB ILE 13 -11.525 3.199 -1.090
99 HG12 ILE 13 HG12 ILE 13 -13.473 5.430 -0.459
100 HG13 ILE 13 HG13 ILE 13 -12.210 5.499 -1.682
101 HG21 ILE 13 HG21 ILE 13 -12.416 2.110 0.881
102 HG22 ILE 13 HG22 ILE 13 -13.703 2.402 -0.291
103 HG23 ILE 13 HG23 ILE 13 -13.548 3.439 1.129
104 HD11 ILE 13 HD11 ILE 13 -14.399 5.048 -2.650
105 HD12 ILE 13 HD12 ILE 13 -14.528 3.583 -1.678
106 HD13 ILE 13 HD13 ILE 13 -13.282 3.710 -2.920
107 H ARG 14 H ARG 14 -11.264 6.913 -0.135
108 HA ARG 14 HA ARG 14 -9.154 7.078 -1.999
109 HB2 ARG 14 HB2 ARG 14 -10.844 8.785 -2.013
110 HB3 ARG 14 HB3 ARG 14 -10.516 9.203 -0.337
111 HG2 ARG 14 HG2 ARG 14 -8.321 10.046 -0.962
112 HG3 ARG 14 HG3 ARG 14 -8.622 9.603 -2.641
113 HD2 ARG 14 HD2 ARG 14 -10.409 11.193 -2.803
114 HD3 ARG 14 HD3 ARG 14 -10.323 11.531 -1.073
115 HE ARG 14 HE ARG 14 -8.425 12.823 -1.417
116 HH11 ARG 14 HH11 ARG 14 -9.438 11.285 -4.401
117 HH12 ARG 14 HH12 ARG 14 -8.397 12.241 -5.400
118 HH21 ARG 14 HH21 ARG 14 -7.065 14.090 -2.728
119 HH22 ARG 14 HH22 ARG 14 -7.037 13.840 -4.449
120 H SER 15 H SER 15 -9.338 7.997 1.416
121 HA SER 15 HA SER 15 -6.738 8.819 1.837
122 HB2 SER 15 HB2 SER 15 -8.369 9.106 3.560
123 HB3 SER 15 HB3 SER 15 -8.686 7.376 3.643
124 HG SER 15 HG SER 15 -6.123 8.441 4.213
125 H LEU 16 H LEU 16 -8.055 5.517 2.052
126 HA LEU 16 HA LEU 16 -5.652 4.256 2.786
127 HB2 LEU 16 HB2 LEU 16 -8.031 3.155 1.287
128 HB3 LEU 16 HB3 LEU 16 -6.739 2.175 1.953
129 HG LEU 16 HG LEU 16 -8.618 3.907 3.561
130 HD11 LEU 16 HD11 LEU 16 -9.531 1.767 4.352
131 HD12 LEU 16 HD12 LEU 16 -8.499 0.916 3.204
132 HD13 LEU 16 HD13 LEU 16 -9.766 1.993 2.617
133 HD21 LEU 16 HD21 LEU 16 -6.515 1.938 4.456
134 HD22 LEU 16 HD22 LEU 16 -7.627 2.825 5.499
135 HD23 LEU 16 HD23 LEU 16 -6.399 3.693 4.577
136 H GLN 17 H GLN 17 -7.155 4.638 -0.429
137 HA GLN 17 HA GLN 17 -5.120 3.198 -1.774
138 HB2 GLN 17 HB2 GLN 17 -7.108 5.184 -2.883
139 HB3 GLN 17 HB3 GLN 17 -6.120 4.095 -3.845
140 HG2 GLN 17 HG2 GLN 17 -7.203 2.182 -2.714
141 HG3 GLN 17 HG3 GLN 17 -8.250 3.320 -1.871
142 HE21 GLN 17 HE21 GLN 17 -9.803 4.474 -3.060
143 HE22 GLN 17 HE22 GLN 17 -10.337 3.929 -4.610
144 H GLU 18 H GLU 18 -5.643 6.677 -1.259
145 HA GLU 18 HA GLU 18 -3.440 7.492 -2.855
146 HB2 GLU 18 HB2 GLU 18 -5.342 8.963 -2.142
147 HB3 GLU 18 HB3 GLU 18 -4.658 8.977 -0.522
148 HG2 GLU 18 HG2 GLU 18 -2.612 9.998 -1.404
149 HG3 GLU 18 HG3 GLU 18 -3.322 10.003 -3.018
150 H GLN 19 H GLN 19 -3.808 6.625 0.534
151 HA GLN 19 HA GLN 19 -1.202 7.317 1.370
152 HB2 GLN 19 HB2 GLN 19 -3.063 6.805 2.927
153 HB3 GLN 19 HB3 GLN 19 -2.991 5.121 2.431
154 HG2 GLN 19 HG2 GLN 19 -1.878 5.457 4.556
155 HG3 GLN 19 HG3 GLN 19 -0.736 4.938 3.317
156 HE21 GLN 19 HE21 GLN 19 0.838 6.359 2.606
157 HE22 GLN 19 HE22 GLN 19 1.222 7.820 3.451
158 H ASN 20 H ASN 20 -2.588 4.278 0.160
159 HA ASN 20 HA ASN 20 -0.214 2.764 0.202
160 HB2 ASN 20 HB2 ASN 20 -2.796 2.561 -1.298
161 HB3 ASN 20 HB3 ASN 20 -1.445 1.540 -1.783
162 HD21 ASN 20 HD21 ASN 20 -3.763 2.242 0.718
163 HD22 ASN 20 HD22 ASN 20 -3.500 0.792 1.629
164 H TYR 21 H TYR 21 -1.560 4.959 -2.174
165 HA TYR 21 HA TYR 21 0.244 4.510 -4.269
166 HB2 TYR 21 HB2 TYR 21 -1.879 5.847 -4.367
167 HB3 TYR 21 HB3 TYR 21 -1.052 7.135 -3.505
168 HD1 TYR 21 HD1 TYR 21 -1.048 5.183 -6.648
169 HD2 TYR 21 HD2 TYR 21 0.300 8.689 -4.658
170 HE1 TYR 21 HE1 TYR 21 -0.275 6.094 -8.795
171 HE2 TYR 21 HE2 TYR 21 1.081 9.613 -6.797
172 HH TYR 21 HH TYR 21 1.789 8.767 -9.011
173 H HIS 22 H HIS 22 0.327 6.897 -1.638
174 HA HIS 22 HA HIS 22 2.841 8.008 -2.266
175 HB2 HIS 22 HB2 HIS 22 1.098 8.946 -0.649
176 HB3 HIS 22 HB3 HIS 22 1.716 7.793 0.527
177 HD1 HIS 22 HD1 HIS 22 4.270 8.163 1.303
178 HD2 HIS 22 HD2 HIS 22 2.575 11.225 -0.958
179 HE1 HIS 22 HE1 HIS 22 5.777 10.146 1.600
180 HE2 HIS 22 HE2 HIS 22 4.739 11.991 0.230
181 H LEU 23 H LEU 23 1.892 5.434 0.001
182 HA LEU 23 HA LEU 23 4.452 4.940 1.033
183 HB2 LEU 23 HB2 LEU 23 2.067 3.114 0.761
184 HB3 LEU 23 HB3 LEU 23 3.529 2.669 1.622
185 HG LEU 23 HG LEU 23 1.704 4.965 2.334
186 HD11 LEU 23 HD11 LEU 23 2.128 2.287 3.652
187 HD12 LEU 23 HD12 LEU 23 0.683 2.808 2.785
188 HD13 LEU 23 HD13 LEU 23 1.141 3.604 4.289
189 HD21 LEU 23 HD21 LEU 23 4.143 3.872 3.735
190 HD22 LEU 23 HD22 LEU 23 3.071 5.126 4.360
191 HD23 LEU 23 HD23 LEU 23 4.026 5.427 2.908
192 H GLU 24 H GLU 24 2.857 3.715 -1.856
193 HA GLU 24 HA GLU 24 4.713 1.686 -2.472
194 HB2 GLU 24 HB2 GLU 24 2.443 2.004 -3.507
195 HB3 GLU 24 HB3 GLU 24 3.123 3.329 -4.444
196 HG2 GLU 24 HG2 GLU 24 4.751 1.738 -5.416
197 HG3 GLU 24 HG3 GLU 24 3.936 0.436 -4.552
198 H ASN 25 H ASN 25 4.495 5.072 -3.530
199 HA ASN 25 HA ASN 25 6.931 5.048 -5.004
200 HB2 ASN 25 HB2 ASN 25 5.198 6.746 -5.371
201 HB3 ASN 25 HB3 ASN 25 5.435 7.356 -3.737
202 HD21 ASN 25 HD21 ASN 25 6.786 7.097 -6.924
203 HD22 ASN 25 HD22 ASN 25 7.956 8.366 -6.746
204 H GLU 26 H GLU 26 6.066 5.822 -1.713
205 HA GLU 26 HA GLU 26 8.484 6.922 -0.828
206 HB2 GLU 26 HB2 GLU 26 6.190 6.940 0.272
207 HB3 GLU 26 HB3 GLU 26 6.545 5.314 0.831
208 HG2 GLU 26 HG2 GLU 26 8.302 6.064 2.204
209 HG3 GLU 26 HG3 GLU 26 8.305 7.661 1.451
210 H VAL 27 H VAL 27 7.239 3.581 -0.524
211 HA VAL 27 HA VAL 27 9.626 2.578 0.627
212 HB VAL 27 HB VAL 27 7.373 1.466 0.793
213 HG11 VAL 27 HG11 VAL 27 8.032 0.490 -1.979
214 HG12 VAL 27 HG12 VAL 27 6.717 1.581 -1.545
215 HG13 VAL 27 HG13 VAL 27 6.707 -0.085 -0.965
216 HG21 VAL 27 HG21 VAL 27 9.409 0.350 1.502
217 HG22 VAL 27 HG22 VAL 27 9.679 -0.238 -0.140
218 HG23 VAL 27 HG23 VAL 27 8.287 -0.806 0.784
219 H ALA 28 H ALA 28 8.566 3.050 -2.677
220 HA ALA 28 HA ALA 28 10.488 1.493 -4.002
221 HB1 ALA 28 HB1 ALA 28 9.289 4.123 -4.870
222 HB2 ALA 28 HB2 ALA 28 8.605 2.525 -5.160
223 HB3 ALA 28 HB3 ALA 28 10.133 2.979 -5.915
224 H ARG 29 H ARG 29 10.594 4.839 -2.856
225 HA ARG 29 HA ARG 29 13.229 5.396 -3.683
226 HB2 ARG 29 HB2 ARG 29 11.565 6.542 -1.437
227 HB3 ARG 29 HB3 ARG 29 13.136 7.179 -1.901
228 HG2 ARG 29 HG2 ARG 29 10.761 6.995 -3.744
229 HG3 ARG 29 HG3 ARG 29 11.225 8.440 -2.842
230 HD2 ARG 29 HD2 ARG 29 12.959 7.005 -4.853
231 HD3 ARG 29 HD3 ARG 29 12.033 8.472 -5.173
232 HE ARG 29 HE ARG 29 13.494 9.290 -3.127
233 HH11 ARG 29 HH11 ARG 29 14.437 7.459 -5.976
234 HH12 ARG 29 HH12 ARG 29 16.085 8.010 -5.926
235 HH21 ARG 29 HH21 ARG 29 15.666 10.031 -3.100
236 HH22 ARG 29 HH22 ARG 29 16.775 9.470 -4.317
237 H LEU 30 H LEU 30 11.923 4.059 -0.671
238 HA LEU 30 HA LEU 30 14.399 3.987 0.705
239 HB2 LEU 30 HB2 LEU 30 11.714 2.789 1.107
240 HB3 LEU 30 HB3 LEU 30 13.054 2.065 1.973
241 HG LEU 30 HG LEU 30 13.558 4.237 3.013
242 HD11 LEU 30 HD11 LEU 30 11.993 6.094 2.823
243 HD12 LEU 30 HD12 LEU 30 11.071 5.200 1.615
244 HD13 LEU 30 HD13 LEU 30 12.720 5.714 1.261
245 HD21 LEU 30 HD21 LEU 30 10.700 3.337 3.337
246 HD22 LEU 30 HD22 LEU 30 11.605 4.329 4.480
247 HD23 LEU 30 HD23 LEU 30 12.106 2.668 4.167
248 H LYS 31 H LYS 31 12.667 1.476 -1.159
249 HA LYS 31 HA LYS 31 14.587 -0.538 -0.579
250 HB2 LYS 31 HB2 LYS 31 13.495 -1.886 -2.272
251 HB3 LYS 31 HB3 LYS 31 12.296 -1.098 -1.261
252 HG2 LYS 31 HG2 LYS 31 11.865 0.534 -3.004
253 HG3 LYS 31 HG3 LYS 31 13.127 -0.189 -4.006
254 HD2 LYS 31 HD2 LYS 31 11.888 -2.272 -4.112
255 HD3 LYS 31 HD3 LYS 31 10.646 -1.615 -3.046
256 HE2 LYS 31 HE2 LYS 31 10.057 0.047 -4.708
257 HE3 LYS 31 HE3 LYS 31 11.360 -0.507 -5.759
258 HZ1 LYS 31 HZ1 LYS 31 10.262 -2.617 -6.001
259 HZ2 LYS 31 HZ2 LYS 31 9.176 -1.378 -6.413
260 HZ3 LYS 31 HZ3 LYS 31 9.040 -2.163 -4.914
261 H LYS 32 H LYS 32 14.358 1.901 -3.081
262 HA LYS 32 HA LYS 32 16.517 0.791 -4.628
263 HB2 LYS 32 HB2 LYS 32 14.760 2.269 -5.608
264 HB3 LYS 32 HB3 LYS 32 15.416 3.607 -4.677
265 HG2 LYS 32 HG2 LYS 32 17.581 3.288 -5.849
266 HG3 LYS 32 HG3 LYS 32 16.804 2.068 -6.858
267 HD2 LYS 32 HD2 LYS 32 15.221 3.735 -7.671
268 HD3 LYS 32 HD3 LYS 32 15.968 4.958 -6.638
269 HE2 LYS 32 HE2 LYS 32 18.095 4.630 -7.840
270 HE3 LYS 32 HE3 LYS 32 17.297 3.467 -8.898
271 HZ1 LYS 32 HZ1 LYS 32 17.395 5.597 -9.958
272 HZ2 LYS 32 HZ2 LYS 32 16.656 6.354 -8.640
273 HZ3 LYS 32 HZ3 LYS 32 15.776 5.254 -9.591
274 H LEU 33 H LEU 33 16.151 2.931 -1.942
275 HA LEU 33 HA LEU 33 18.739 4.104 -2.025
276 HB2 LEU 33 HB2 LEU 33 16.813 5.064 -0.798
277 HB3 LEU 33 HB3 LEU 33 16.890 3.727 0.332
278 HG LEU 33 HG LEU 33 19.195 4.477 0.960
279 HD11 LEU 33 HD11 LEU 33 18.452 6.872 -0.706
280 HD12 LEU 33 HD12 LEU 33 19.708 5.695 -1.088
281 HD13 LEU 33 HD13 LEU 33 19.873 6.732 0.330
282 HD21 LEU 33 HD21 LEU 33 17.263 5.050 2.330
283 HD22 LEU 33 HD22 LEU 33 16.955 6.465 1.325
284 HD23 LEU 33 HD23 LEU 33 18.418 6.382 2.303
285 H VAL 34 H VAL 34 17.345 1.453 -0.097
286 HA VAL 34 HA VAL 34 19.860 0.804 1.109
287 HB VAL 34 HB VAL 34 17.732 0.384 2.272
288 HG11 VAL 34 HG11 VAL 34 16.340 -0.282 0.412
289 HG12 VAL 34 HG12 VAL 34 16.339 -1.542 1.649
290 HG13 VAL 34 HG13 VAL 34 17.302 -1.742 0.186
291 HG21 VAL 34 HG21 VAL 34 19.342 -2.103 1.749
292 HG22 VAL 34 HG22 VAL 34 18.259 -1.853 3.116
293 HG23 VAL 34 HG23 VAL 34 19.704 -0.855 2.941
294 H GLY 35 H GLY 35 18.052 -0.346 -1.667
295 HA2 GLY 35 HA2 GLY 35 19.659 -2.695 -2.042
296 HA3 GLY 35 HA3 GLY 35 18.480 -2.042 -3.172
297 H GLU 36 H GLU 36 19.148 -0.078 -4.361
298 HA GLU 36 HA GLU 36 20.507 0.897 -5.887
299 HB2 GLU 36 HB2 GLU 36 21.419 1.778 -3.689
300 HB3 GLU 36 HB3 GLU 36 22.679 0.563 -3.808
301 HG2 GLU 36 HG2 GLU 36 23.354 2.833 -4.557
302 HG3 GLU 36 HG3 GLU 36 23.581 1.571 -5.767
303 H ARG 37 H ARG 37 23.455 0.350 -6.077
304 HA ARG 37 HA ARG 37 23.715 -2.425 -6.723
305 HB2 ARG 37 HB2 ARG 37 22.366 -1.301 -8.629
306 HB3 ARG 37 HB3 ARG 37 23.881 -0.519 -9.048
307 HG2 ARG 37 HG2 ARG 37 24.899 -2.537 -9.633
308 HG3 ARG 37 HG3 ARG 37 23.680 -3.499 -8.793
309 HD2 ARG 37 HD2 ARG 37 23.347 -1.915 -11.337
310 HD3 ARG 37 HD3 ARG 37 23.234 -3.665 -11.131
311 HE ARG 37 HE ARG 37 21.351 -2.065 -9.606
312 HH11 ARG 37 HH11 ARG 37 21.906 -4.000 -12.477
313 HH12 ARG 37 HH12 ARG 37 20.211 -4.243 -12.780
314 HH21 ARG 37 HH21 ARG 37 19.146 -2.400 -9.988
315 HH22 ARG 37 HH22 ARG 37 18.644 -3.357 -11.352
316 HA2 GLY 0 HA2 GLY 0 -15.072 -15.168 -10.097
317 HA3 GLY 0 HA3 GLY 0 -15.896 -14.662 -8.626
318 H ALA 1 H ALA 1 -16.947 -16.836 -9.362
319 HA ALA 1 HA ALA 1 -18.830 -16.795 -11.477
320 HB1 ALA 1 HB1 ALA 1 -19.734 -18.814 -10.472
321 HB2 ALA 1 HB2 ALA 1 -18.830 -18.503 -8.992
322 HB3 ALA 1 HB3 ALA 1 -17.972 -18.870 -10.487
323 H GLY 2 H GLY 2 -20.155 -15.035 -11.425
324 HA2 GLY 2 HA2 GLY 2 -22.231 -14.094 -10.905
325 HA3 GLY 2 HA3 GLY 2 -22.292 -15.075 -9.445
326 H SER 3 H SER 3 -19.597 -14.226 -8.623
327 HA SER 3 HA SER 3 -20.417 -11.863 -7.219
328 HB2 SER 3 HB2 SER 3 -17.966 -12.137 -6.321
329 HB3 SER 3 HB3 SER 3 -19.225 -13.271 -5.830
330 HG SER 3 HG SER 3 -17.831 -14.688 -6.530
331 H SER 4 H SER 4 -20.530 -10.177 -8.605
332 HA SER 4 HA SER 4 -18.256 -9.475 -10.251
333 HB2 SER 4 HB2 SER 4 -20.556 -9.152 -11.113
334 HB3 SER 4 HB3 SER 4 -20.874 -8.013 -9.806
335 HG SER 4 HG SER 4 -19.860 -6.518 -10.876
336 H SER 5 H SER 5 -20.232 -7.485 -8.067
337 HA SER 5 HA SER 5 -18.066 -5.743 -7.508
338 HB2 SER 5 HB2 SER 5 -20.699 -5.966 -6.033
339 HB3 SER 5 HB3 SER 5 -19.623 -4.569 -6.087
340 HG SER 5 HG SER 5 -21.319 -5.607 -8.083
341 H LEU 6 H LEU 6 -19.588 -8.448 -5.888
342 HA LEU 6 HA LEU 6 -18.651 -8.159 -3.313
343 HB2 LEU 6 HB2 LEU 6 -20.277 -9.878 -4.225
344 HB3 LEU 6 HB3 LEU 6 -18.889 -10.784 -4.792
345 HG LEU 6 HG LEU 6 -19.202 -10.090 -1.879
346 HD11 LEU 6 HD11 LEU 6 -21.249 -11.217 -2.577
347 HD12 LEU 6 HD12 LEU 6 -20.262 -12.268 -1.560
348 HD13 LEU 6 HD13 LEU 6 -20.296 -12.508 -3.306
349 HD21 LEU 6 HD21 LEU 6 -17.778 -12.331 -3.317
350 HD22 LEU 6 HD22 LEU 6 -17.820 -12.083 -1.572
351 HD23 LEU 6 HD23 LEU 6 -17.013 -10.908 -2.610
352 H GLU 7 H GLU 7 -17.151 -10.015 -5.957
353 HA GLU 7 HA GLU 7 -14.839 -10.690 -4.530
354 HB2 GLU 7 HB2 GLU 7 -15.515 -11.952 -6.490
355 HB3 GLU 7 HB3 GLU 7 -15.343 -10.530 -7.508
356 HG2 GLU 7 HG2 GLU 7 -12.966 -10.530 -7.215
357 HG3 GLU 7 HG3 GLU 7 -13.070 -11.824 -6.021
358 H ALA 8 H ALA 8 -15.420 -8.182 -6.973
359 HA ALA 8 HA ALA 8 -12.818 -7.246 -7.147
360 HB1 ALA 8 HB1 ALA 8 -14.547 -6.733 -8.783
361 HB2 ALA 8 HB2 ALA 8 -13.781 -5.260 -8.182
362 HB3 ALA 8 HB3 ALA 8 -15.379 -5.726 -7.597
363 H VAL 9 H VAL 9 -15.515 -5.861 -5.259
364 HA VAL 9 HA VAL 9 -13.985 -3.715 -4.276
365 HB VAL 9 HB VAL 9 -16.543 -4.888 -3.178
366 HG11 VAL 9 HG11 VAL 9 -15.392 -3.532 -1.507
367 HG12 VAL 9 HG12 VAL 9 -16.852 -2.727 -2.083
368 HG13 VAL 9 HG13 VAL 9 -15.270 -2.203 -2.661
369 HG21 VAL 9 HG21 VAL 9 -16.090 -2.557 -5.038
370 HG22 VAL 9 HG22 VAL 9 -17.647 -3.087 -4.400
371 HG23 VAL 9 HG23 VAL 9 -16.739 -4.131 -5.495
372 H ARG 10 H ARG 10 -15.041 -6.750 -2.716
373 HA ARG 10 HA ARG 10 -14.037 -6.123 -0.187
374 HB2 ARG 10 HB2 ARG 10 -15.711 -7.951 -0.843
375 HB3 ARG 10 HB3 ARG 10 -14.309 -8.930 -1.247
376 HG2 ARG 10 HG2 ARG 10 -13.499 -8.664 1.074
377 HG3 ARG 10 HG3 ARG 10 -14.979 -7.779 1.455
378 HD2 ARG 10 HD2 ARG 10 -15.285 -10.040 2.153
379 HD3 ARG 10 HD3 ARG 10 -16.273 -9.785 0.714
380 HE ARG 10 HE ARG 10 -13.721 -10.793 -0.001
381 HH11 ARG 10 HH11 ARG 10 -16.753 -11.820 1.438
382 HH12 ARG 10 HH12 ARG 10 -16.577 -13.475 0.928
383 HH21 ARG 10 HH21 ARG 10 -13.478 -12.944 -0.644
384 HH22 ARG 10 HH22 ARG 10 -14.693 -14.120 -0.248
385 H ARG 11 H ARG 11 -12.599 -7.862 -2.911
386 HA ARG 11 HA ARG 11 -10.286 -8.763 -1.599
387 HB2 ARG 11 HB2 ARG 11 -11.274 -9.401 -3.913
388 HB3 ARG 11 HB3 ARG 11 -10.394 -8.011 -4.516
389 HG2 ARG 11 HG2 ARG 11 -9.109 -10.319 -3.071
390 HG3 ARG 11 HG3 ARG 11 -9.247 -10.197 -4.826
391 HD2 ARG 11 HD2 ARG 11 -8.103 -7.862 -4.424
392 HD3 ARG 11 HD3 ARG 11 -7.558 -8.634 -2.934
393 HE ARG 11 HE ARG 11 -6.990 -9.665 -5.644
394 HH11 ARG 11 HH11 ARG 11 -6.134 -9.336 -2.256
395 HH12 ARG 11 HH12 ARG 11 -4.523 -9.947 -2.486
396 HH21 ARG 11 HH21 ARG 11 -4.885 -10.497 -5.929
397 HH22 ARG 11 HH22 ARG 11 -3.808 -10.605 -4.568
398 H LYS 12 H LYS 12 -10.932 -5.862 -3.543
399 HA LYS 12 HA LYS 12 -8.294 -4.909 -3.538
400 HB2 LYS 12 HB2 LYS 12 -10.276 -4.247 -5.053
401 HB3 LYS 12 HB3 LYS 12 -10.713 -3.133 -3.766
402 HG2 LYS 12 HG2 LYS 12 -8.518 -2.055 -3.967
403 HG3 LYS 12 HG3 LYS 12 -8.114 -3.157 -5.287
404 HD2 LYS 12 HD2 LYS 12 -10.228 -2.291 -6.431
405 HD3 LYS 12 HD3 LYS 12 -10.208 -0.998 -5.229
406 HE2 LYS 12 HE2 LYS 12 -7.993 -1.649 -7.172
407 HE3 LYS 12 HE3 LYS 12 -9.131 -0.314 -7.318
408 HZ1 LYS 12 HZ1 LYS 12 -7.028 0.441 -6.441
409 HZ2 LYS 12 HZ2 LYS 12 -7.117 -0.669 -5.163
410 HZ3 LYS 12 HZ3 LYS 12 -8.230 0.608 -5.258
411 H ILE 13 H ILE 13 -11.104 -4.082 -1.504
412 HA ILE 13 HA ILE 13 -9.782 -2.030 -0.104
413 HB ILE 13 HB ILE 13 -11.591 -2.174 1.551
414 HG12 ILE 13 HG12 ILE 13 -12.541 -4.552 -0.070
415 HG13 ILE 13 HG13 ILE 13 -11.887 -4.624 1.563
416 HG21 ILE 13 HG21 ILE 13 -13.454 -1.663 0.010
417 HG22 ILE 13 HG22 ILE 13 -12.484 -2.287 -1.325
418 HG23 ILE 13 HG23 ILE 13 -11.946 -0.863 -0.437
419 HD11 ILE 13 HD11 ILE 13 -13.775 -3.298 2.369
420 HD12 ILE 13 HD12 ILE 13 -14.301 -4.787 1.583
421 HD13 ILE 13 HD13 ILE 13 -14.429 -3.246 0.733
422 H ARG 14 H ARG 14 -10.052 -5.507 0.449
423 HA ARG 14 HA ARG 14 -8.937 -5.497 3.037
424 HB2 ARG 14 HB2 ARG 14 -10.079 -7.489 2.192
425 HB3 ARG 14 HB3 ARG 14 -8.864 -7.674 0.929
426 HG2 ARG 14 HG2 ARG 14 -7.145 -7.984 2.661
427 HG3 ARG 14 HG3 ARG 14 -8.396 -7.881 3.897
428 HD2 ARG 14 HD2 ARG 14 -9.461 -9.879 3.010
429 HD3 ARG 14 HD3 ARG 14 -8.272 -9.952 1.706
430 HE ARG 14 HE ARG 14 -6.657 -10.016 3.802
431 HH11 ARG 14 HH11 ARG 14 -9.620 -11.810 3.250
432 HH12 ARG 14 HH12 ARG 14 -9.157 -13.125 4.287
433 HH21 ARG 14 HH21 ARG 14 -6.054 -11.708 5.144
434 HH22 ARG 14 HH22 ARG 14 -7.123 -13.062 5.385
435 H SER 15 H SER 15 -7.519 -5.960 -0.181
436 HA SER 15 HA SER 15 -4.908 -6.460 0.505
437 HB2 SER 15 HB2 SER 15 -5.748 -6.612 -1.794
438 HB3 SER 15 HB3 SER 15 -5.938 -4.859 -1.853
439 HG SER 15 HG SER 15 -3.452 -5.331 -1.110
440 H LEU 16 H LEU 16 -6.503 -3.328 0.083
441 HA LEU 16 HA LEU 16 -4.295 -1.671 0.360
442 HB2 LEU 16 HB2 LEU 16 -7.141 -1.199 1.250
443 HB3 LEU 16 HB3 LEU 16 -5.924 0.050 1.074
444 HG LEU 16 HG LEU 16 -6.930 -1.672 -1.192
445 HD11 LEU 16 HD11 LEU 16 -8.700 -0.233 -0.295
446 HD12 LEU 16 HD12 LEU 16 -8.189 0.275 -1.906
447 HD13 LEU 16 HD13 LEU 16 -7.648 1.170 -0.484
448 HD21 LEU 16 HD21 LEU 16 -4.671 -0.805 -1.515
449 HD22 LEU 16 HD22 LEU 16 -5.242 0.826 -1.171
450 HD23 LEU 16 HD23 LEU 16 -5.817 -0.024 -2.605
451 H GLN 17 H GLN 17 -6.584 -2.743 2.870
452 HA GLN 17 HA GLN 17 -5.230 -1.361 4.946
453 HB2 GLN 17 HB2 GLN 17 -7.273 -3.585 5.101
454 HB3 GLN 17 HB3 GLN 17 -6.774 -2.560 6.440
455 HG2 GLN 17 HG2 GLN 17 -7.671 -0.611 5.321
456 HG3 GLN 17 HG3 GLN 17 -8.114 -1.594 3.926
457 HE21 GLN 17 HE21 GLN 17 -10.277 -1.087 4.095
458 HE22 GLN 17 HE22 GLN 17 -11.290 -1.698 5.359
459 H GLU 18 H GLU 18 -5.325 -4.735 3.884
460 HA GLU 18 HA GLU 18 -3.932 -5.796 6.077
461 HB2 GLU 18 HB2 GLU 18 -5.346 -7.087 4.468
462 HB3 GLU 18 HB3 GLU 18 -4.077 -6.901 3.269
463 HG2 GLU 18 HG2 GLU 18 -2.564 -8.213 4.551
464 HG3 GLU 18 HG3 GLU 18 -3.666 -8.232 5.928
465 H GLN 19 H GLN 19 -2.838 -4.717 2.866
466 HA GLN 19 HA GLN 19 -0.149 -5.491 3.328
467 HB2 GLN 19 HB2 GLN 19 -1.090 -5.276 1.061
468 HB3 GLN 19 HB3 GLN 19 -1.259 -3.544 1.299
469 HG2 GLN 19 HG2 GLN 19 0.706 -4.148 -0.047
470 HG3 GLN 19 HG3 GLN 19 1.129 -3.279 1.428
471 HE21 GLN 19 HE21 GLN 19 3.221 -4.074 1.442
472 HE22 GLN 19 HE22 GLN 19 3.592 -5.715 1.829
473 H ASN 20 H ASN 20 -2.043 -2.658 4.034
474 HA ASN 20 HA ASN 20 -0.020 -0.775 4.371
475 HB2 ASN 20 HB2 ASN 20 -2.793 -1.077 5.294
476 HB3 ASN 20 HB3 ASN 20 -1.776 -0.155 6.397
477 HD21 ASN 20 HD21 ASN 20 -1.221 -0.233 2.956
478 HD22 ASN 20 HD22 ASN 20 -1.692 1.399 2.650
479 H TYR 21 H TYR 21 -1.457 -2.947 6.797
480 HA TYR 21 HA TYR 21 0.432 -2.282 8.798
481 HB2 TYR 21 HB2 TYR 21 -1.782 -3.213 9.355
482 HB3 TYR 21 HB3 TYR 21 -1.347 -4.724 8.564
483 HD1 TYR 21 HD1 TYR 21 -0.490 -2.502 11.404
484 HD2 TYR 21 HD2 TYR 21 -0.157 -6.399 9.728
485 HE1 TYR 21 HE1 TYR 21 0.438 -3.329 13.524
486 HE2 TYR 21 HE2 TYR 21 0.772 -7.234 11.845
487 HH TYR 21 HH TYR 21 1.997 -6.292 13.810
488 H HIS 22 H HIS 22 0.204 -4.787 6.341
489 HA HIS 22 HA HIS 22 2.221 -6.487 7.230
490 HB2 HIS 22 HB2 HIS 22 0.548 -6.796 5.283
491 HB3 HIS 22 HB3 HIS 22 1.722 -5.918 4.311
492 HD1 HIS 22 HD1 HIS 22 4.326 -7.128 4.660
493 HD2 HIS 22 HD2 HIS 22 0.870 -9.439 5.003
494 HE1 HIS 22 HE1 HIS 22 5.046 -9.505 4.280
495 HE2 HIS 22 HE2 HIS 22 2.918 -10.859 4.309
496 H LEU 23 H LEU 23 2.372 -3.662 5.080
497 HA LEU 23 HA LEU 23 5.050 -3.876 4.366
498 HB2 LEU 23 HB2 LEU 23 3.404 -2.428 3.239
499 HB3 LEU 23 HB3 LEU 23 3.363 -1.388 4.649
500 HG LEU 23 HG LEU 23 5.753 -0.850 4.287
501 HD11 LEU 23 HD11 LEU 23 6.786 -1.442 2.148
502 HD12 LEU 23 HD12 LEU 23 5.392 -2.450 1.758
503 HD13 LEU 23 HD13 LEU 23 6.429 -2.868 3.124
504 HD21 LEU 23 HD21 LEU 23 4.013 0.617 3.423
505 HD22 LEU 23 HD22 LEU 23 3.944 -0.323 1.931
506 HD23 LEU 23 HD23 LEU 23 5.402 0.584 2.337
507 H GLU 24 H GLU 24 3.530 -2.522 7.227
508 HA GLU 24 HA GLU 24 5.771 -1.041 8.104
509 HB2 GLU 24 HB2 GLU 24 3.418 -2.145 9.651
510 HB3 GLU 24 HB3 GLU 24 4.592 -1.003 10.294
511 HG2 GLU 24 HG2 GLU 24 3.941 0.593 8.524
512 HG3 GLU 24 HG3 GLU 24 2.697 -0.545 8.005
513 H ASN 25 H ASN 25 4.890 -4.373 8.237
514 HA ASN 25 HA ASN 25 6.637 -5.119 10.344
515 HB2 ASN 25 HB2 ASN 25 4.840 -6.611 9.714
516 HB3 ASN 25 HB3 ASN 25 5.430 -6.700 8.059
517 HD21 ASN 25 HD21 ASN 25 7.079 -8.051 7.553
518 HD22 ASN 25 HD22 ASN 25 7.748 -9.201 8.669
519 H GLU 26 H GLU 26 6.908 -4.894 6.837
520 HA GLU 26 HA GLU 26 9.564 -5.895 6.728
521 HB2 GLU 26 HB2 GLU 26 7.847 -4.407 4.746
522 HB3 GLU 26 HB3 GLU 26 9.518 -4.822 4.400
523 HG2 GLU 26 HG2 GLU 26 8.216 -6.488 3.398
524 HG3 GLU 26 HG3 GLU 26 8.889 -7.221 4.852
525 H VAL 27 H VAL 27 8.187 -2.624 6.328
526 HA VAL 27 HA VAL 27 10.592 -1.373 5.740
527 HB VAL 27 HB VAL 27 8.380 -0.383 5.279
528 HG11 VAL 27 HG11 VAL 27 7.190 0.846 7.039
529 HG12 VAL 27 HG12 VAL 27 8.300 0.178 8.236
530 HG13 VAL 27 HG13 VAL 27 7.225 -0.892 7.338
531 HG21 VAL 27 HG21 VAL 27 8.983 1.937 5.793
532 HG22 VAL 27 HG22 VAL 27 10.358 1.012 5.191
533 HG23 VAL 27 HG23 VAL 27 10.219 1.359 6.914
534 H ALA 28 H ALA 28 9.090 -2.001 8.870
535 HA ALA 28 HA ALA 28 10.497 -0.256 10.473
536 HB1 ALA 28 HB1 ALA 28 8.622 -1.650 11.241
537 HB2 ALA 28 HB2 ALA 28 10.021 -1.764 12.307
538 HB3 ALA 28 HB3 ALA 28 9.666 -3.070 11.177
539 H ARG 29 H ARG 29 11.392 -3.545 9.475
540 HA ARG 29 HA ARG 29 13.912 -3.372 10.847
541 HB2 ARG 29 HB2 ARG 29 12.716 -5.472 9.036
542 HB3 ARG 29 HB3 ARG 29 14.355 -5.580 9.659
543 HG2 ARG 29 HG2 ARG 29 13.020 -6.914 11.067
544 HG3 ARG 29 HG3 ARG 29 13.359 -5.437 11.971
545 HD2 ARG 29 HD2 ARG 29 11.167 -4.556 11.364
546 HD3 ARG 29 HD3 ARG 29 10.829 -6.022 10.443
547 HE ARG 29 HE ARG 29 11.404 -6.212 13.320
548 HH11 ARG 29 HH11 ARG 29 9.189 -6.551 10.631
549 HH12 ARG 29 HH12 ARG 29 8.019 -7.462 11.536
550 HH21 ARG 29 HH21 ARG 29 9.838 -7.382 14.536
551 HH22 ARG 29 HH22 ARG 29 8.385 -7.931 13.749
552 H LEU 30 H LEU 30 12.682 -3.156 7.576
553 HA LEU 30 HA LEU 30 14.985 -3.363 6.101
554 HB2 LEU 30 HB2 LEU 30 12.593 -3.184 5.298
555 HB3 LEU 30 HB3 LEU 30 12.725 -1.453 5.516
556 HG LEU 30 HG LEU 30 14.611 -2.940 3.703
557 HD11 LEU 30 HD11 LEU 30 11.920 -1.785 2.984
558 HD12 LEU 30 HD12 LEU 30 12.355 -3.494 2.981
559 HD13 LEU 30 HD13 LEU 30 13.120 -2.389 1.839
560 HD21 LEU 30 HD21 LEU 30 15.214 -0.649 4.310
561 HD22 LEU 30 HD22 LEU 30 13.638 -0.083 3.757
562 HD23 LEU 30 HD23 LEU 30 14.786 -0.762 2.602
563 H LYS 31 H LYS 31 13.510 -0.314 7.262
564 HA LYS 31 HA LYS 31 15.661 1.226 6.258
565 HB2 LYS 31 HB2 LYS 31 14.567 3.128 7.335
566 HB3 LYS 31 HB3 LYS 31 13.407 2.158 6.446
567 HG2 LYS 31 HG2 LYS 31 12.208 2.503 8.340
568 HG3 LYS 31 HG3 LYS 31 13.073 1.050 8.840
569 HD2 LYS 31 HD2 LYS 31 14.789 2.498 9.902
570 HD3 LYS 31 HD3 LYS 31 13.810 3.905 9.486
571 HE2 LYS 31 HE2 LYS 31 11.968 3.008 10.831
572 HE3 LYS 31 HE3 LYS 31 12.961 1.613 11.251
573 HZ1 LYS 31 HZ1 LYS 31 13.419 4.445 12.013
574 HZ2 LYS 31 HZ2 LYS 31 14.581 3.232 12.217
575 HZ3 LYS 31 HZ3 LYS 31 13.102 3.129 13.038
576 H LYS 32 H LYS 32 14.979 -0.283 9.331
577 HA LYS 32 HA LYS 32 16.882 1.337 10.760
578 HB2 LYS 32 HB2 LYS 32 14.870 0.394 11.852
579 HB3 LYS 32 HB3 LYS 32 15.526 -1.222 11.616
580 HG2 LYS 32 HG2 LYS 32 17.480 -0.585 12.993
581 HG3 LYS 32 HG3 LYS 32 16.706 0.970 13.309
582 HD2 LYS 32 HD2 LYS 32 14.833 -0.162 14.370
583 HD3 LYS 32 HD3 LYS 32 15.553 -1.732 13.999
584 HE2 LYS 32 HE2 LYS 32 17.540 -1.049 15.354
585 HE3 LYS 32 HE3 LYS 32 16.648 0.391 15.838
586 HZ1 LYS 32 HZ1 LYS 32 14.985 -0.987 16.870
587 HZ2 LYS 32 HZ2 LYS 32 16.511 -1.426 17.465
588 HZ3 LYS 32 HZ3 LYS 32 15.743 -2.397 16.312
589 H LEU 33 H LEU 33 16.892 -1.758 9.145
590 HA LEU 33 HA LEU 33 19.117 -2.912 10.419
591 HB2 LEU 33 HB2 LEU 33 17.348 -3.932 8.804
592 HB3 LEU 33 HB3 LEU 33 18.435 -3.412 7.536
593 HG LEU 33 HG LEU 33 18.657 -5.818 8.183
594 HD11 LEU 33 HD11 LEU 33 21.089 -5.854 8.208
595 HD12 LEU 33 HD12 LEU 33 21.117 -4.136 8.608
596 HD13 LEU 33 HD13 LEU 33 20.478 -4.670 7.053
597 HD21 LEU 33 HD21 LEU 33 18.281 -5.598 10.572
598 HD22 LEU 33 HD22 LEU 33 19.766 -4.660 10.738
599 HD23 LEU 33 HD23 LEU 33 19.842 -6.356 10.259
600 H VAL 34 H VAL 34 18.883 -0.997 7.433
601 HA VAL 34 HA VAL 34 21.680 -1.122 6.894
602 HB VAL 34 HB VAL 34 20.029 -0.785 5.105
603 HG11 VAL 34 HG11 VAL 34 19.007 1.432 4.775
604 HG12 VAL 34 HG12 VAL 34 19.604 1.917 6.362
605 HG13 VAL 34 HG13 VAL 34 18.423 0.615 6.223
606 HG21 VAL 34 HG21 VAL 34 21.212 0.965 3.874
607 HG22 VAL 34 HG22 VAL 34 22.330 -0.104 4.718
608 HG23 VAL 34 HG23 VAL 34 21.980 1.499 5.368
609 H GLY 35 H GLY 35 19.662 0.987 8.764
610 HA2 GLY 35 HA2 GLY 35 21.679 3.061 8.965
611 HA3 GLY 35 HA3 GLY 35 20.114 3.049 9.763
612 H GLU 36 H GLU 36 19.871 1.441 11.531
613 HA GLU 36 HA GLU 36 20.376 1.000 13.694
614 HB2 GLU 36 HB2 GLU 36 21.593 -0.829 12.376
615 HB3 GLU 36 HB3 GLU 36 23.066 0.074 12.702
616 HG2 GLU 36 HG2 GLU 36 22.830 -1.681 14.317
617 HG3 GLU 36 HG3 GLU 36 22.620 -0.123 15.114
618 H ARG 37 H ARG 37 23.778 1.338 13.328
619 HA ARG 37 HA ARG 37 25.316 2.838 14.024
620 HB2 ARG 37 HB2 ARG 37 23.874 4.065 12.184
621 HB3 ARG 37 HB3 ARG 37 23.418 5.088 13.540
622 HG2 ARG 37 HG2 ARG 37 25.615 5.826 13.864
623 HG3 ARG 37 HG3 ARG 37 26.287 4.526 12.874
624 HD2 ARG 37 HD2 ARG 37 25.026 5.532 10.930
625 HD3 ARG 37 HD3 ARG 37 24.706 6.922 11.966
626 HE ARG 37 HE ARG 37 26.998 7.466 11.921
627 HH11 ARG 37 HH11 ARG 37 26.230 4.679 9.949
628 HH12 ARG 37 HH12 ARG 37 27.712 4.740 9.042
629 HH21 ARG 37 HH21 ARG 37 28.958 7.549 10.746
630 HH22 ARG 37 HH22 ARG 37 29.281 6.349 9.530
Start of MODEL 9
1 HA2 GLY 0 HA2 GLY 0 -30.063 16.771 -5.325
2 HA3 GLY 0 HA3 GLY 0 -30.954 16.665 -3.813
3 H ALA 1 H ALA 1 -29.791 17.071 -2.050
4 HA ALA 1 HA ALA 1 -26.902 16.548 -2.147
5 HB1 ALA 1 HB1 ALA 1 -27.499 18.870 -1.662
6 HB2 ALA 1 HB2 ALA 1 -26.700 18.116 -0.282
7 HB3 ALA 1 HB3 ALA 1 -28.450 18.339 -0.277
8 H GLY 2 H GLY 2 -26.700 14.470 -1.546
9 HA2 GLY 2 HA2 GLY 2 -27.558 13.797 1.175
10 HA3 GLY 2 HA3 GLY 2 -28.085 12.747 -0.137
11 H SER 3 H SER 3 -25.005 14.377 -0.114
12 HA SER 3 HA SER 3 -23.648 11.847 -0.371
13 HB2 SER 3 HB2 SER 3 -23.047 13.892 -1.718
14 HB3 SER 3 HB3 SER 3 -22.428 14.616 -0.236
15 HG SER 3 HG SER 3 -20.645 13.628 -0.720
16 H SER 4 H SER 4 -24.660 11.534 1.951
17 HA SER 4 HA SER 4 -22.870 12.429 4.048
18 HB2 SER 4 HB2 SER 4 -24.378 10.819 5.410
19 HB3 SER 4 HB3 SER 4 -25.106 12.293 4.764
20 HG SER 4 HG SER 4 -26.396 11.104 3.626
21 H SER 5 H SER 5 -24.082 9.189 3.280
22 HA SER 5 HA SER 5 -21.725 7.915 4.256
23 HB2 SER 5 HB2 SER 5 -23.997 6.885 4.333
24 HB3 SER 5 HB3 SER 5 -23.964 6.743 2.575
25 HG SER 5 HG SER 5 -23.042 5.019 4.325
26 H LEU 6 H LEU 6 -22.943 8.841 1.102
27 HA LEU 6 HA LEU 6 -21.136 7.500 -0.551
28 HB2 LEU 6 HB2 LEU 6 -23.195 8.974 -1.119
29 HB3 LEU 6 HB3 LEU 6 -22.069 10.315 -1.072
30 HG LEU 6 HG LEU 6 -21.752 7.937 -2.914
31 HD11 LEU 6 HD11 LEU 6 -22.969 10.640 -3.464
32 HD12 LEU 6 HD12 LEU 6 -23.822 9.095 -3.438
33 HD13 LEU 6 HD13 LEU 6 -22.605 9.410 -4.674
34 HD21 LEU 6 HD21 LEU 6 -20.488 10.680 -2.956
35 HD22 LEU 6 HD22 LEU 6 -20.226 9.391 -4.131
36 HD23 LEU 6 HD23 LEU 6 -19.686 9.189 -2.465
37 H GLU 7 H GLU 7 -20.897 10.717 0.932
38 HA GLU 7 HA GLU 7 -18.314 11.314 -0.047
39 HB2 GLU 7 HB2 GLU 7 -20.166 12.833 1.058
40 HB3 GLU 7 HB3 GLU 7 -19.309 12.437 2.542
41 HG2 GLU 7 HG2 GLU 7 -18.482 14.516 1.721
42 HG3 GLU 7 HG3 GLU 7 -17.228 13.296 1.499
43 H ALA 8 H ALA 8 -19.509 9.822 2.913
44 HA ALA 8 HA ALA 8 -17.136 9.729 4.371
45 HB1 ALA 8 HB1 ALA 8 -18.162 7.949 5.656
46 HB2 ALA 8 HB2 ALA 8 -19.353 7.685 4.384
47 HB3 ALA 8 HB3 ALA 8 -19.357 9.196 5.294
48 H VAL 9 H VAL 9 -18.542 7.182 2.294
49 HA VAL 9 HA VAL 9 -16.353 5.421 2.453
50 HB VAL 9 HB VAL 9 -18.352 5.729 0.202
51 HG11 VAL 9 HG11 VAL 9 -17.769 3.422 -0.382
52 HG12 VAL 9 HG12 VAL 9 -16.529 3.417 0.873
53 HG13 VAL 9 HG13 VAL 9 -16.374 4.493 -0.516
54 HG21 VAL 9 HG21 VAL 9 -19.423 5.278 2.339
55 HG22 VAL 9 HG22 VAL 9 -18.350 3.902 2.603
56 HG23 VAL 9 HG23 VAL 9 -19.522 3.868 1.285
57 H ARG 10 H ARG 10 -17.180 7.914 0.090
58 HA ARG 10 HA ARG 10 -15.113 7.635 -1.735
59 HB2 ARG 10 HB2 ARG 10 -17.040 9.138 -2.011
60 HB3 ARG 10 HB3 ARG 10 -16.424 10.174 -0.735
61 HG2 ARG 10 HG2 ARG 10 -14.428 10.626 -2.147
62 HG3 ARG 10 HG3 ARG 10 -15.196 9.706 -3.447
63 HD2 ARG 10 HD2 ARG 10 -17.149 11.238 -3.287
64 HD3 ARG 10 HD3 ARG 10 -16.252 12.195 -2.113
65 HE ARG 10 HE ARG 10 -14.903 11.822 -4.640
66 HH11 ARG 10 HH11 ARG 10 -16.954 13.851 -2.659
67 HH12 ARG 10 HH12 ARG 10 -16.816 15.236 -3.707
68 HH21 ARG 10 HH21 ARG 10 -14.719 13.641 -6.025
69 HH22 ARG 10 HH22 ARG 10 -15.553 15.113 -5.623
70 H ARG 11 H ARG 11 -15.207 9.676 1.176
71 HA ARG 11 HA ARG 11 -12.608 10.721 0.913
72 HB2 ARG 11 HB2 ARG 11 -14.759 11.130 2.598
73 HB3 ARG 11 HB3 ARG 11 -13.550 10.441 3.671
74 HG2 ARG 11 HG2 ARG 11 -13.038 12.795 1.872
75 HG3 ARG 11 HG3 ARG 11 -13.567 12.933 3.549
76 HD2 ARG 11 HD2 ARG 11 -11.062 11.508 2.666
77 HD3 ARG 11 HD3 ARG 11 -11.108 13.181 3.219
78 HE ARG 11 HE ARG 11 -11.534 10.781 4.856
79 HH11 ARG 11 HH11 ARG 11 -11.309 14.277 4.636
80 HH12 ARG 11 HH12 ARG 11 -11.079 14.488 6.349
81 HH21 ARG 11 HH21 ARG 11 -11.249 11.054 7.079
82 HH22 ARG 11 HH22 ARG 11 -11.024 12.647 7.746
83 H LYS 12 H LYS 12 -13.854 7.918 2.684
84 HA LYS 12 HA LYS 12 -11.524 7.215 4.051
85 HB2 LYS 12 HB2 LYS 12 -13.765 5.487 3.006
86 HB3 LYS 12 HB3 LYS 12 -12.480 4.883 4.040
87 HG2 LYS 12 HG2 LYS 12 -13.165 6.381 5.817
88 HG3 LYS 12 HG3 LYS 12 -14.413 7.071 4.779
89 HD2 LYS 12 HD2 LYS 12 -15.378 5.443 6.313
90 HD3 LYS 12 HD3 LYS 12 -15.504 4.874 4.647
91 HE2 LYS 12 HE2 LYS 12 -13.522 3.469 4.990
92 HE3 LYS 12 HE3 LYS 12 -13.421 4.028 6.657
93 HZ1 LYS 12 HZ1 LYS 12 -15.730 2.550 5.505
94 HZ2 LYS 12 HZ2 LYS 12 -15.544 3.024 7.121
95 HZ3 LYS 12 HZ3 LYS 12 -14.504 1.856 6.452
96 H ILE 13 H ILE 13 -12.722 5.818 0.978
97 HA ILE 13 HA ILE 13 -10.415 4.194 0.716
98 HB ILE 13 HB ILE 13 -11.244 3.676 -1.567
99 HG12 ILE 13 HG12 ILE 13 -13.766 4.517 -1.807
100 HG13 ILE 13 HG13 ILE 13 -13.129 5.895 -0.916
101 HG21 ILE 13 HG21 ILE 13 -11.943 2.385 0.373
102 HG22 ILE 13 HG22 ILE 13 -13.241 2.491 -0.816
103 HG23 ILE 13 HG23 ILE 13 -13.292 3.490 0.636
104 HD11 ILE 13 HD11 ILE 13 -11.434 6.217 -2.658
105 HD12 ILE 13 HD12 ILE 13 -13.076 6.312 -3.297
106 HD13 ILE 13 HD13 ILE 13 -12.114 4.857 -3.553
107 H ARG 14 H ARG 14 -11.202 7.404 -0.481
108 HA ARG 14 HA ARG 14 -9.121 7.366 -2.450
109 HB2 ARG 14 HB2 ARG 14 -11.272 8.813 -2.416
110 HB3 ARG 14 HB3 ARG 14 -10.348 9.887 -1.376
111 HG2 ARG 14 HG2 ARG 14 -10.307 10.553 -3.756
112 HG3 ARG 14 HG3 ARG 14 -8.699 10.228 -3.102
113 HD2 ARG 14 HD2 ARG 14 -8.621 8.091 -4.168
114 HD3 ARG 14 HD3 ARG 14 -10.317 8.196 -4.627
115 HE ARG 14 HE ARG 14 -9.663 10.016 -6.154
116 HH11 ARG 14 HH11 ARG 14 -7.172 7.831 -5.024
117 HH12 ARG 14 HH12 ARG 14 -6.157 8.058 -6.413
118 HH21 ARG 14 HH21 ARG 14 -8.378 10.272 -8.003
119 HH22 ARG 14 HH22 ARG 14 -6.868 9.424 -8.138
120 H SER 15 H SER 15 -9.418 8.567 0.859
121 HA SER 15 HA SER 15 -6.891 9.872 0.891
122 HB2 SER 15 HB2 SER 15 -7.144 9.807 3.379
123 HB3 SER 15 HB3 SER 15 -8.545 10.482 2.551
124 HG SER 15 HG SER 15 -9.682 8.656 2.951
125 H LEU 16 H LEU 16 -7.992 6.623 1.729
126 HA LEU 16 HA LEU 16 -5.551 5.653 2.735
127 HB2 LEU 16 HB2 LEU 16 -7.771 4.193 1.302
128 HB3 LEU 16 HB3 LEU 16 -6.434 3.402 2.113
129 HG LEU 16 HG LEU 16 -8.510 5.139 3.453
130 HD11 LEU 16 HD11 LEU 16 -9.285 3.061 4.462
131 HD12 LEU 16 HD12 LEU 16 -8.100 2.154 3.525
132 HD13 LEU 16 HD13 LEU 16 -9.412 2.998 2.702
133 HD21 LEU 16 HD21 LEU 16 -6.323 5.268 4.544
134 HD22 LEU 16 HD22 LEU 16 -6.261 3.507 4.631
135 HD23 LEU 16 HD23 LEU 16 -7.488 4.392 5.537
136 H GLN 17 H GLN 17 -6.900 5.624 -0.546
137 HA GLN 17 HA GLN 17 -4.820 4.308 -1.851
138 HB2 GLN 17 HB2 GLN 17 -6.736 6.432 -2.795
139 HB3 GLN 17 HB3 GLN 17 -5.577 5.666 -3.873
140 HG2 GLN 17 HG2 GLN 17 -6.580 3.525 -3.532
141 HG3 GLN 17 HG3 GLN 17 -7.635 4.167 -2.272
142 HE21 GLN 17 HE21 GLN 17 -9.470 3.486 -3.378
143 HE22 GLN 17 HE22 GLN 17 -10.045 4.298 -4.789
144 H GLU 18 H GLU 18 -5.255 7.794 -1.291
145 HA GLU 18 HA GLU 18 -2.892 8.660 -2.512
146 HB2 GLU 18 HB2 GLU 18 -4.658 9.801 -0.380
147 HB3 GLU 18 HB3 GLU 18 -3.136 10.591 -0.770
148 HG2 GLU 18 HG2 GLU 18 -5.135 9.924 -2.895
149 HG3 GLU 18 HG3 GLU 18 -5.263 11.398 -1.936
150 H GLN 19 H GLN 19 -3.502 8.015 0.943
151 HA GLN 19 HA GLN 19 -0.924 8.502 1.871
152 HB2 GLN 19 HB2 GLN 19 -2.918 8.152 3.320
153 HB3 GLN 19 HB3 GLN 19 -2.880 6.440 2.917
154 HG2 GLN 19 HG2 GLN 19 -1.889 6.738 5.067
155 HG3 GLN 19 HG3 GLN 19 -0.618 6.302 3.927
156 HE21 GLN 19 HE21 GLN 19 -1.927 8.774 5.957
157 HE22 GLN 19 HE22 GLN 19 -0.590 9.867 5.849
158 H ASN 20 H ASN 20 -2.376 5.465 0.751
159 HA ASN 20 HA ASN 20 -0.139 3.823 1.192
160 HB2 ASN 20 HB2 ASN 20 -2.573 3.611 -0.542
161 HB3 ASN 20 HB3 ASN 20 -1.289 2.416 -0.685
162 HD21 ASN 20 HD21 ASN 20 -1.899 3.914 2.370
163 HD22 ASN 20 HD22 ASN 20 -2.626 2.544 3.133
164 H TYR 21 H TYR 21 -1.229 5.470 -1.771
165 HA TYR 21 HA TYR 21 0.757 4.542 -3.479
166 HB2 TYR 21 HB2 TYR 21 -1.207 5.753 -4.274
167 HB3 TYR 21 HB3 TYR 21 -0.643 7.223 -3.489
168 HD1 TYR 21 HD1 TYR 21 0.039 4.852 -6.244
169 HD2 TYR 21 HD2 TYR 21 0.954 8.646 -4.547
170 HE1 TYR 21 HE1 TYR 21 1.239 5.477 -8.299
171 HE2 TYR 21 HE2 TYR 21 2.152 9.282 -6.597
172 HH TYR 21 HH TYR 21 1.901 7.561 -9.494
173 H HIS 22 H HIS 22 0.788 7.348 -1.310
174 HA HIS 22 HA HIS 22 3.295 8.341 -2.235
175 HB2 HIS 22 HB2 HIS 22 1.969 8.857 0.437
176 HB3 HIS 22 HB3 HIS 22 3.245 9.817 -0.296
177 HD1 HIS 22 HD1 HIS 22 0.752 11.261 0.492
178 HD2 HIS 22 HD2 HIS 22 1.206 9.489 -3.240
179 HE1 HIS 22 HE1 HIS 22 -0.918 12.395 -1.004
180 HE2 HIS 22 HE2 HIS 22 -0.831 11.088 -3.155
181 H LEU 23 H LEU 23 2.307 6.318 0.501
182 HA LEU 23 HA LEU 23 4.913 6.092 1.613
183 HB2 LEU 23 HB2 LEU 23 2.466 4.365 1.955
184 HB3 LEU 23 HB3 LEU 23 3.940 4.182 2.889
185 HG LEU 23 HG LEU 23 2.167 6.630 2.884
186 HD11 LEU 23 HD11 LEU 23 2.576 4.507 4.986
187 HD12 LEU 23 HD12 LEU 23 1.138 4.700 3.987
188 HD13 LEU 23 HD13 LEU 23 1.580 5.952 5.148
189 HD21 LEU 23 HD21 LEU 23 4.525 7.168 3.261
190 HD22 LEU 23 HD22 LEU 23 4.594 5.965 4.551
191 HD23 LEU 23 HD23 LEU 23 3.569 7.391 4.727
192 H GLU 24 H GLU 24 3.051 4.158 -0.673
193 HA GLU 24 HA GLU 24 4.789 1.968 -0.880
194 HB2 GLU 24 HB2 GLU 24 2.440 2.275 -1.873
195 HB3 GLU 24 HB3 GLU 24 3.231 3.125 -3.191
196 HG2 GLU 24 HG2 GLU 24 4.598 1.091 -3.600
197 HG3 GLU 24 HG3 GLU 24 3.636 0.259 -2.378
198 H ASN 25 H ASN 25 4.711 5.072 -2.568
199 HA ASN 25 HA ASN 25 6.955 4.661 -4.217
200 HB2 ASN 25 HB2 ASN 25 5.520 6.521 -4.684
201 HB3 ASN 25 HB3 ASN 25 5.749 7.184 -3.069
202 HD21 ASN 25 HD21 ASN 25 7.178 6.740 -6.215
203 HD22 ASN 25 HD22 ASN 25 8.465 7.881 -6.012
204 H GLU 26 H GLU 26 6.648 5.909 -0.918
205 HA GLU 26 HA GLU 26 9.360 6.700 -0.685
206 HB2 GLU 26 HB2 GLU 26 7.529 7.605 0.714
207 HB3 GLU 26 HB3 GLU 26 7.407 6.048 1.524
208 HG2 GLU 26 HG2 GLU 26 9.597 6.277 2.447
209 HG3 GLU 26 HG3 GLU 26 9.906 7.719 1.480
210 H VAL 27 H VAL 27 7.622 3.766 0.376
211 HA VAL 27 HA VAL 27 9.882 2.614 1.635
212 HB VAL 27 HB VAL 27 7.564 1.878 2.117
213 HG11 VAL 27 HG11 VAL 27 6.447 0.289 0.636
214 HG12 VAL 27 HG12 VAL 27 7.717 0.518 -0.566
215 HG13 VAL 27 HG13 VAL 27 6.658 1.861 -0.135
216 HG21 VAL 27 HG21 VAL 27 8.062 -0.511 2.309
217 HG22 VAL 27 HG22 VAL 27 9.452 0.478 2.757
218 HG23 VAL 27 HG23 VAL 27 9.409 -0.320 1.185
219 H ALA 28 H ALA 28 8.618 2.447 -1.661
220 HA ALA 28 HA ALA 28 10.520 0.564 -2.618
221 HB1 ALA 28 HB1 ALA 28 9.862 1.294 -4.841
222 HB2 ALA 28 HB2 ALA 28 9.053 2.706 -4.159
223 HB3 ALA 28 HB3 ALA 28 8.439 1.086 -3.822
224 H ARG 29 H ARG 29 10.439 4.073 -2.401
225 HA ARG 29 HA ARG 29 12.829 4.692 -3.715
226 HB2 ARG 29 HB2 ARG 29 11.126 6.336 -2.972
227 HB3 ARG 29 HB3 ARG 29 11.609 6.054 -1.308
228 HG2 ARG 29 HG2 ARG 29 13.923 6.820 -1.995
229 HG3 ARG 29 HG3 ARG 29 13.176 7.373 -3.496
230 HD2 ARG 29 HD2 ARG 29 12.586 8.283 -0.689
231 HD3 ARG 29 HD3 ARG 29 13.227 9.237 -2.026
232 HE ARG 29 HE ARG 29 10.782 8.337 -2.892
233 HH11 ARG 29 HH11 ARG 29 11.946 10.271 -0.221
234 HH12 ARG 29 HH12 ARG 29 10.468 11.172 -0.060
235 HH21 ARG 29 HH21 ARG 29 8.818 9.511 -2.666
236 HH22 ARG 29 HH22 ARG 29 8.706 10.738 -1.437
237 H LEU 30 H LEU 30 12.186 3.904 -0.321
238 HA LEU 30 HA LEU 30 14.804 4.260 0.639
239 HB2 LEU 30 HB2 LEU 30 12.820 4.123 2.087
240 HB3 LEU 30 HB3 LEU 30 12.639 2.429 1.674
241 HG LEU 30 HG LEU 30 14.816 1.956 2.742
242 HD11 LEU 30 HD11 LEU 30 15.860 4.136 2.460
243 HD12 LEU 30 HD12 LEU 30 15.849 3.660 4.159
244 HD13 LEU 30 HD13 LEU 30 14.691 4.854 3.569
245 HD21 LEU 30 HD21 LEU 30 12.776 1.654 4.003
246 HD22 LEU 30 HD22 LEU 30 12.784 3.354 4.473
247 HD23 LEU 30 HD23 LEU 30 14.049 2.270 5.055
248 H LYS 31 H LYS 31 13.127 1.324 -0.508
249 HA LYS 31 HA LYS 31 15.435 -0.296 -0.045
250 HB2 LYS 31 HB2 LYS 31 14.210 -2.125 -0.938
251 HB3 LYS 31 HB3 LYS 31 13.107 -1.176 0.041
252 HG2 LYS 31 HG2 LYS 31 12.194 -0.175 -2.022
253 HG3 LYS 31 HG3 LYS 31 13.254 -1.231 -2.965
254 HD2 LYS 31 HD2 LYS 31 12.212 -3.171 -1.730
255 HD3 LYS 31 HD3 LYS 31 11.022 -2.029 -1.108
256 HE2 LYS 31 HE2 LYS 31 10.361 -1.490 -3.412
257 HE3 LYS 31 HE3 LYS 31 11.530 -2.669 -4.009
258 HZ1 LYS 31 HZ1 LYS 31 10.312 -4.353 -2.633
259 HZ2 LYS 31 HZ2 LYS 31 9.441 -3.750 -3.957
260 HZ3 LYS 31 HZ3 LYS 31 9.098 -3.192 -2.393
261 H LYS 32 H LYS 32 14.348 1.660 -2.653
262 HA LYS 32 HA LYS 32 16.089 0.633 -4.648
263 HB2 LYS 32 HB2 LYS 32 14.347 2.103 -5.349
264 HB3 LYS 32 HB3 LYS 32 14.829 3.339 -4.197
265 HG2 LYS 32 HG2 LYS 32 15.476 4.064 -6.367
266 HG3 LYS 32 HG3 LYS 32 16.940 3.627 -5.489
267 HD2 LYS 32 HD2 LYS 32 16.919 1.427 -6.636
268 HD3 LYS 32 HD3 LYS 32 15.523 1.968 -7.573
269 HE2 LYS 32 HE2 LYS 32 16.873 3.842 -8.444
270 HE3 LYS 32 HE3 LYS 32 18.264 3.229 -7.555
271 HZ1 LYS 32 HZ1 LYS 32 18.520 2.430 -9.717
272 HZ2 LYS 32 HZ2 LYS 32 16.883 2.021 -9.874
273 HZ3 LYS 32 HZ3 LYS 32 17.891 1.098 -8.871
274 H LEU 33 H LEU 33 16.389 3.174 -2.203
275 HA LEU 33 HA LEU 33 19.001 3.995 -2.901
276 HB2 LEU 33 HB2 LEU 33 17.446 5.363 -1.577
277 HB3 LEU 33 HB3 LEU 33 17.560 4.214 -0.257
278 HG LEU 33 HG LEU 33 19.973 4.754 -0.037
279 HD11 LEU 33 HD11 LEU 33 20.852 6.733 -1.170
280 HD12 LEU 33 HD12 LEU 33 19.349 6.880 -2.081
281 HD13 LEU 33 HD13 LEU 33 20.395 5.481 -2.325
282 HD21 LEU 33 HD21 LEU 33 18.110 7.121 0.132
283 HD22 LEU 33 HD22 LEU 33 19.644 6.949 0.983
284 HD23 LEU 33 HD23 LEU 33 18.301 5.868 1.357
285 H VAL 34 H VAL 34 17.811 1.710 -0.445
286 HA VAL 34 HA VAL 34 20.490 1.065 0.408
287 HB VAL 34 HB VAL 34 18.484 0.992 1.933
288 HG11 VAL 34 HG11 VAL 34 17.090 -1.003 1.928
289 HG12 VAL 34 HG12 VAL 34 17.892 -1.568 0.464
290 HG13 VAL 34 HG13 VAL 34 16.916 -0.100 0.423
291 HG21 VAL 34 HG21 VAL 34 19.228 -0.991 3.151
292 HG22 VAL 34 HG22 VAL 34 20.593 -0.047 2.556
293 HG23 VAL 34 HG23 VAL 34 20.119 -1.532 1.731
294 H GLY 35 H GLY 35 18.295 -0.043 -2.000
295 HA2 GLY 35 HA2 GLY 35 19.428 -2.637 -2.377
296 HA3 GLY 35 HA3 GLY 35 18.399 -1.775 -3.512
297 H GLU 36 H GLU 36 19.879 0.495 -3.956
298 HA GLU 36 HA GLU 36 21.933 -0.439 -5.705
299 HB2 GLU 36 HB2 GLU 36 21.096 2.331 -4.841
300 HB3 GLU 36 HB3 GLU 36 22.391 2.038 -5.992
301 HG2 GLU 36 HG2 GLU 36 19.535 1.161 -6.336
302 HG3 GLU 36 HG3 GLU 36 20.264 2.589 -7.074
303 H ARG 37 H ARG 37 23.834 -1.101 -5.024
304 HA ARG 37 HA ARG 37 25.118 0.350 -2.809
305 HB2 ARG 37 HB2 ARG 37 24.351 -1.899 -2.124
306 HB3 ARG 37 HB3 ARG 37 25.290 -2.607 -3.429
307 HG2 ARG 37 HG2 ARG 37 27.344 -1.741 -2.384
308 HG3 ARG 37 HG3 ARG 37 26.369 -1.124 -1.044
309 HD2 ARG 37 HD2 ARG 37 25.623 -3.369 -0.522
310 HD3 ARG 37 HD3 ARG 37 26.506 -4.009 -1.905
311 HE ARG 37 HE ARG 37 28.157 -2.595 -0.022
312 HH11 ARG 37 HH11 ARG 37 26.687 -5.660 -0.844
313 HH12 ARG 37 HH12 ARG 37 27.845 -6.602 0.048
314 HH21 ARG 37 HH21 ARG 37 29.701 -3.837 1.151
315 HH22 ARG 37 HH22 ARG 37 29.556 -5.575 1.172
316 HA2 GLY 0 HA2 GLY 0 -27.366 -13.352 -0.195
317 HA3 GLY 0 HA3 GLY 0 -25.701 -13.000 0.252
318 H ALA 1 H ALA 1 -26.333 -11.407 -1.612
319 HA ALA 1 HA ALA 1 -26.000 -12.559 -4.253
320 HB1 ALA 1 HB1 ALA 1 -27.500 -10.658 -3.947
321 HB2 ALA 1 HB2 ALA 1 -26.184 -10.255 -5.049
322 HB3 ALA 1 HB3 ALA 1 -26.152 -9.670 -3.385
323 H GLY 2 H GLY 2 -23.983 -13.426 -4.398
324 HA2 GLY 2 HA2 GLY 2 -21.724 -11.591 -3.865
325 HA3 GLY 2 HA3 GLY 2 -21.654 -13.316 -3.537
326 H SER 3 H SER 3 -22.376 -11.113 -6.233
327 HA SER 3 HA SER 3 -20.667 -12.822 -7.904
328 HB2 SER 3 HB2 SER 3 -22.252 -12.061 -9.812
329 HB3 SER 3 HB3 SER 3 -22.802 -13.329 -8.716
330 HG SER 3 HG SER 3 -24.447 -12.072 -8.388
331 H SER 4 H SER 4 -22.336 -9.740 -8.495
332 HA SER 4 HA SER 4 -19.952 -8.741 -9.764
333 HB2 SER 4 HB2 SER 4 -22.632 -7.386 -9.393
334 HB3 SER 4 HB3 SER 4 -21.365 -6.930 -10.533
335 HG SER 4 HG SER 4 -21.752 -8.778 -11.701
336 H SER 5 H SER 5 -21.943 -7.954 -6.936
337 HA SER 5 HA SER 5 -20.371 -5.601 -6.390
338 HB2 SER 5 HB2 SER 5 -21.984 -5.517 -4.374
339 HB3 SER 5 HB3 SER 5 -22.656 -5.283 -5.990
340 HG SER 5 HG SER 5 -23.727 -6.849 -4.483
341 H LEU 6 H LEU 6 -21.405 -8.211 -4.224
342 HA LEU 6 HA LEU 6 -19.815 -7.598 -2.116
343 HB2 LEU 6 HB2 LEU 6 -21.648 -9.194 -2.029
344 HB3 LEU 6 HB3 LEU 6 -20.728 -10.335 -2.990
345 HG LEU 6 HG LEU 6 -19.060 -10.476 -1.138
346 HD11 LEU 6 HD11 LEU 6 -21.095 -8.826 0.345
347 HD12 LEU 6 HD12 LEU 6 -19.460 -8.329 -0.093
348 HD13 LEU 6 HD13 LEU 6 -19.707 -9.633 1.071
349 HD21 LEU 6 HD21 LEU 6 -20.454 -11.850 0.328
350 HD22 LEU 6 HD22 LEU 6 -20.822 -12.150 -1.371
351 HD23 LEU 6 HD23 LEU 6 -21.906 -11.158 -0.395
352 H GLU 7 H GLU 7 -19.041 -10.287 -4.341
353 HA GLU 7 HA GLU 7 -16.672 -10.906 -2.997
354 HB2 GLU 7 HB2 GLU 7 -18.067 -12.402 -4.518
355 HB3 GLU 7 HB3 GLU 7 -17.249 -11.617 -5.863
356 HG2 GLU 7 HG2 GLU 7 -16.166 -13.703 -5.332
357 HG3 GLU 7 HG3 GLU 7 -15.091 -12.353 -4.970
358 H ALA 8 H ALA 8 -17.316 -8.880 -5.797
359 HA ALA 8 HA ALA 8 -14.702 -8.642 -6.747
360 HB1 ALA 8 HB1 ALA 8 -15.481 -6.625 -7.887
361 HB2 ALA 8 HB2 ALA 8 -16.942 -6.623 -6.899
362 HB3 ALA 8 HB3 ALA 8 -16.652 -7.934 -8.044
363 H VAL 9 H VAL 9 -16.545 -6.468 -4.598
364 HA VAL 9 HA VAL 9 -14.394 -4.691 -4.182
365 HB VAL 9 HB VAL 9 -16.829 -5.127 -2.437
366 HG11 VAL 9 HG11 VAL 9 -14.992 -2.745 -2.686
367 HG12 VAL 9 HG12 VAL 9 -15.073 -3.859 -1.321
368 HG13 VAL 9 HG13 VAL 9 -16.452 -2.827 -1.699
369 HG21 VAL 9 HG21 VAL 9 -17.824 -3.262 -3.692
370 HG22 VAL 9 HG22 VAL 9 -17.493 -4.655 -4.722
371 HG23 VAL 9 HG23 VAL 9 -16.427 -3.251 -4.767
372 H ARG 10 H ARG 10 -15.570 -7.530 -2.498
373 HA ARG 10 HA ARG 10 -14.373 -7.225 -0.048
374 HB2 ARG 10 HB2 ARG 10 -16.013 -8.948 -0.457
375 HB3 ARG 10 HB3 ARG 10 -14.938 -9.762 -1.584
376 HG2 ARG 10 HG2 ARG 10 -13.608 -10.614 0.079
377 HG3 ARG 10 HG3 ARG 10 -14.025 -9.333 1.218
378 HD2 ARG 10 HD2 ARG 10 -15.009 -11.420 1.922
379 HD3 ARG 10 HD3 ARG 10 -16.271 -10.289 1.445
380 HE ARG 10 HE ARG 10 -15.525 -12.019 -0.706
381 HH11 ARG 10 HH11 ARG 10 -17.421 -11.783 2.235
382 HH12 ARG 10 HH12 ARG 10 -18.521 -13.061 1.789
383 HH21 ARG 10 HH21 ARG 10 -16.977 -13.716 -1.305
384 HH22 ARG 10 HH22 ARG 10 -18.248 -14.175 -0.200
385 H ARG 11 H ARG 11 -12.957 -8.822 -2.930
386 HA ARG 11 HA ARG 11 -10.596 -9.516 -1.507
387 HB2 ARG 11 HB2 ARG 11 -11.411 -10.741 -3.534
388 HB3 ARG 11 HB3 ARG 11 -10.938 -9.352 -4.507
389 HG2 ARG 11 HG2 ARG 11 -8.615 -9.629 -3.678
390 HG3 ARG 11 HG3 ARG 11 -9.131 -11.101 -2.858
391 HD2 ARG 11 HD2 ARG 11 -9.834 -12.014 -5.057
392 HD3 ARG 11 HD3 ARG 11 -9.157 -10.578 -5.825
393 HE ARG 11 HE ARG 11 -7.481 -12.340 -4.168
394 HH11 ARG 11 HH11 ARG 11 -8.145 -10.769 -7.221
395 HH12 ARG 11 HH12 ARG 11 -6.617 -11.192 -7.917
396 HH21 ARG 11 HH21 ARG 11 -5.458 -12.897 -5.072
397 HH22 ARG 11 HH22 ARG 11 -5.077 -12.398 -6.700
398 H LYS 12 H LYS 12 -11.610 -6.796 -3.443
399 HA LYS 12 HA LYS 12 -9.036 -5.829 -4.043
400 HB2 LYS 12 HB2 LYS 12 -11.707 -4.421 -3.990
401 HB3 LYS 12 HB3 LYS 12 -10.227 -3.723 -4.636
402 HG2 LYS 12 HG2 LYS 12 -10.108 -5.483 -6.311
403 HG3 LYS 12 HG3 LYS 12 -11.558 -6.230 -5.643
404 HD2 LYS 12 HD2 LYS 12 -12.827 -4.185 -6.179
405 HD3 LYS 12 HD3 LYS 12 -11.375 -3.498 -6.911
406 HE2 LYS 12 HE2 LYS 12 -11.319 -5.359 -8.511
407 HE3 LYS 12 HE3 LYS 12 -12.784 -6.016 -7.784
408 HZ1 LYS 12 HZ1 LYS 12 -12.541 -3.392 -9.159
409 HZ2 LYS 12 HZ2 LYS 12 -13.954 -3.982 -8.420
410 HZ3 LYS 12 HZ3 LYS 12 -13.310 -4.778 -9.771
411 H ILE 13 H ILE 13 -11.324 -5.139 -1.420
412 HA ILE 13 HA ILE 13 -9.758 -3.012 -0.384
413 HB ILE 13 HB ILE 13 -11.179 -3.191 1.646
414 HG12 ILE 13 HG12 ILE 13 -13.304 -4.707 1.157
415 HG13 ILE 13 HG13 ILE 13 -12.127 -5.661 0.260
416 HG21 ILE 13 HG21 ILE 13 -11.852 -1.756 -0.161
417 HG22 ILE 13 HG22 ILE 13 -13.278 -2.533 0.528
418 HG23 ILE 13 HG23 ILE 13 -12.610 -3.109 -0.999
419 HD11 ILE 13 HD11 ILE 13 -12.433 -6.487 2.534
420 HD12 ILE 13 HD12 ILE 13 -11.932 -4.922 3.176
421 HD13 ILE 13 HD13 ILE 13 -10.785 -5.914 2.274
422 H ARG 14 H ARG 14 -9.676 -6.460 -0.069
423 HA ARG 14 HA ARG 14 -8.191 -6.502 2.359
424 HB2 ARG 14 HB2 ARG 14 -9.465 -8.479 1.625
425 HB3 ARG 14 HB3 ARG 14 -8.425 -8.623 0.213
426 HG2 ARG 14 HG2 ARG 14 -6.495 -8.959 1.692
427 HG3 ARG 14 HG3 ARG 14 -7.569 -8.884 3.087
428 HD2 ARG 14 HD2 ARG 14 -8.713 -10.873 2.382
429 HD3 ARG 14 HD3 ARG 14 -7.815 -10.898 0.861
430 HE ARG 14 HE ARG 14 -5.834 -10.995 2.663
431 HH11 ARG 14 HH11 ARG 14 -8.813 -12.824 2.429
432 HH12 ARG 14 HH12 ARG 14 -8.139 -14.257 3.148
433 HH21 ARG 14 HH21 ARG 14 -4.947 -12.887 3.602
434 HH22 ARG 14 HH22 ARG 14 -5.958 -14.289 3.804
435 H SER 15 H SER 15 -7.444 -6.326 -1.054
436 HA SER 15 HA SER 15 -4.730 -6.905 -1.018
437 HB2 SER 15 HB2 SER 15 -6.098 -4.802 -2.721
438 HB3 SER 15 HB3 SER 15 -4.603 -5.656 -3.099
439 HG SER 15 HG SER 15 -6.614 -7.395 -2.586
440 H LEU 16 H LEU 16 -6.442 -3.856 -0.450
441 HA LEU 16 HA LEU 16 -4.195 -2.235 -0.059
442 HB2 LEU 16 HB2 LEU 16 -6.972 -1.987 1.102
443 HB3 LEU 16 HB3 LEU 16 -5.762 -0.723 1.115
444 HG LEU 16 HG LEU 16 -6.985 -1.913 -1.374
445 HD11 LEU 16 HD11 LEU 16 -7.477 0.748 -0.047
446 HD12 LEU 16 HD12 LEU 16 -8.598 -0.613 -0.068
447 HD13 LEU 16 HD13 LEU 16 -8.169 0.202 -1.573
448 HD21 LEU 16 HD21 LEU 16 -5.142 0.442 -0.994
449 HD22 LEU 16 HD22 LEU 16 -5.896 -0.038 -2.514
450 HD23 LEU 16 HD23 LEU 16 -4.720 -1.099 -1.740
451 H GLN 17 H GLN 17 -6.158 -4.146 2.189
452 HA GLN 17 HA GLN 17 -4.997 -3.272 4.564
453 HB2 GLN 17 HB2 GLN 17 -6.156 -5.992 3.927
454 HB3 GLN 17 HB3 GLN 17 -5.841 -5.375 5.542
455 HG2 GLN 17 HG2 GLN 17 -7.733 -4.066 3.603
456 HG3 GLN 17 HG3 GLN 17 -8.224 -5.277 4.779
457 HE21 GLN 17 HE21 GLN 17 -5.799 -2.816 5.433
458 HE22 GLN 17 HE22 GLN 17 -6.741 -1.946 6.587
459 H GLU 18 H GLU 18 -4.129 -5.980 2.442
460 HA GLU 18 HA GLU 18 -2.084 -7.090 3.971
461 HB2 GLU 18 HB2 GLU 18 -3.123 -8.082 1.911
462 HB3 GLU 18 HB3 GLU 18 -2.205 -6.931 0.951
463 HG2 GLU 18 HG2 GLU 18 -1.037 -8.981 0.882
464 HG3 GLU 18 HG3 GLU 18 -0.122 -7.913 1.943
465 H GLN 19 H GLN 19 -1.971 -4.600 1.448
466 HA GLN 19 HA GLN 19 0.759 -4.125 1.385
467 HB2 GLN 19 HB2 GLN 19 -0.834 -3.180 -0.232
468 HB3 GLN 19 HB3 GLN 19 -1.499 -2.141 1.019
469 HG2 GLN 19 HG2 GLN 19 -0.037 -0.847 -0.350
470 HG3 GLN 19 HG3 GLN 19 0.717 -1.054 1.229
471 HE21 GLN 19 HE21 GLN 19 0.851 -1.838 -2.138
472 HE22 GLN 19 HE22 GLN 19 2.438 -2.535 -2.128
473 H ASN 20 H ASN 20 -1.702 -2.325 3.223
474 HA ASN 20 HA ASN 20 -0.011 -0.597 4.558
475 HB2 ASN 20 HB2 ASN 20 -2.712 -1.709 5.284
476 HB3 ASN 20 HB3 ASN 20 -1.880 -0.556 6.320
477 HD21 ASN 20 HD21 ASN 20 -3.447 -1.046 3.254
478 HD22 ASN 20 HD22 ASN 20 -3.607 0.626 2.842
479 H TYR 21 H TYR 21 -1.094 -3.826 5.475
480 HA TYR 21 HA TYR 21 -0.081 -3.911 8.059
481 HB2 TYR 21 HB2 TYR 21 -1.593 -5.612 7.242
482 HB3 TYR 21 HB3 TYR 21 -0.429 -6.117 6.024
483 HD1 TYR 21 HD1 TYR 21 -0.600 -5.701 9.741
484 HD2 TYR 21 HD2 TYR 21 0.767 -8.031 6.458
485 HE1 TYR 21 HE1 TYR 21 0.313 -7.363 11.308
486 HE2 TYR 21 HE2 TYR 21 1.681 -9.698 8.014
487 HH TYR 21 HH TYR 21 0.990 -9.622 11.408
488 H HIS 22 H HIS 22 1.439 -5.155 5.074
489 HA HIS 22 HA HIS 22 3.823 -5.880 6.410
490 HB2 HIS 22 HB2 HIS 22 2.942 -5.790 3.575
491 HB3 HIS 22 HB3 HIS 22 4.675 -5.827 3.894
492 HD1 HIS 22 HD1 HIS 22 5.654 -7.981 4.968
493 HD2 HIS 22 HD2 HIS 22 1.565 -8.140 4.164
494 HE1 HIS 22 HE1 HIS 22 5.007 -10.416 5.160
495 HE2 HIS 22 HE2 HIS 22 2.525 -10.483 4.688
496 H LEU 23 H LEU 23 2.788 -3.023 4.674
497 HA LEU 23 HA LEU 23 5.171 -1.804 4.102
498 HB2 LEU 23 HB2 LEU 23 2.699 -1.068 3.710
499 HB3 LEU 23 HB3 LEU 23 2.874 -0.241 5.243
500 HG LEU 23 HG LEU 23 4.730 0.260 2.920
501 HD11 LEU 23 HD11 LEU 23 2.186 1.711 3.645
502 HD12 LEU 23 HD12 LEU 23 2.467 0.754 2.190
503 HD13 LEU 23 HD13 LEU 23 3.365 2.250 2.450
504 HD21 LEU 23 HD21 LEU 23 4.057 1.864 5.386
505 HD22 LEU 23 HD22 LEU 23 5.155 2.367 4.100
506 HD23 LEU 23 HD23 LEU 23 5.552 0.970 5.101
507 H GLU 24 H GLU 24 3.312 -1.520 7.124
508 HA GLU 24 HA GLU 24 5.142 0.172 8.396
509 HB2 GLU 24 HB2 GLU 24 2.944 -1.601 9.431
510 HB3 GLU 24 HB3 GLU 24 3.935 -0.619 10.501
511 HG2 GLU 24 HG2 GLU 24 2.289 0.445 8.217
512 HG3 GLU 24 HG3 GLU 24 1.804 0.448 9.914
513 H ASN 25 H ASN 25 4.633 -3.361 8.861
514 HA ASN 25 HA ASN 25 6.636 -3.497 10.837
515 HB2 ASN 25 HB2 ASN 25 6.400 -5.876 10.784
516 HB3 ASN 25 HB3 ASN 25 4.798 -5.186 10.569
517 HD21 ASN 25 HD21 ASN 25 7.422 -6.884 9.032
518 HD22 ASN 25 HD22 ASN 25 6.529 -7.426 7.657
519 H GLU 26 H GLU 26 6.694 -3.944 7.349
520 HA GLU 26 HA GLU 26 9.230 -5.167 7.240
521 HB2 GLU 26 HB2 GLU 26 7.195 -4.527 5.431
522 HB3 GLU 26 HB3 GLU 26 8.593 -3.618 4.876
523 HG2 GLU 26 HG2 GLU 26 8.467 -5.773 3.786
524 HG3 GLU 26 HG3 GLU 26 9.905 -5.660 4.794
525 H VAL 27 H VAL 27 8.177 -1.788 6.719
526 HA VAL 27 HA VAL 27 10.794 -0.871 6.184
527 HB VAL 27 HB VAL 27 8.727 0.340 5.464
528 HG11 VAL 27 HG11 VAL 27 7.413 0.187 7.495
529 HG12 VAL 27 HG12 VAL 27 7.640 1.873 7.029
530 HG13 VAL 27 HG13 VAL 27 8.584 1.190 8.352
531 HG21 VAL 27 HG21 VAL 27 9.632 2.593 5.841
532 HG22 VAL 27 HG22 VAL 27 10.878 1.438 5.371
533 HG23 VAL 27 HG23 VAL 27 10.728 1.936 7.057
534 H ALA 28 H ALA 28 8.865 -1.175 9.108
535 HA ALA 28 HA ALA 28 10.438 0.349 10.838
536 HB1 ALA 28 HB1 ALA 28 9.423 -0.929 12.641
537 HB2 ALA 28 HB2 ALA 28 8.872 -2.148 11.492
538 HB3 ALA 28 HB3 ALA 28 8.209 -0.515 11.430
539 H ARG 29 H ARG 29 10.531 -3.125 10.106
540 HA ARG 29 HA ARG 29 12.714 -3.771 11.714
541 HB2 ARG 29 HB2 ARG 29 11.266 -5.483 10.753
542 HB3 ARG 29 HB3 ARG 29 11.787 -5.046 9.128
543 HG2 ARG 29 HG2 ARG 29 14.113 -5.680 9.813
544 HG3 ARG 29 HG3 ARG 29 13.422 -6.316 11.306
545 HD2 ARG 29 HD2 ARG 29 12.061 -7.874 10.050
546 HD3 ARG 29 HD3 ARG 29 12.642 -7.195 8.529
547 HE ARG 29 HE ARG 29 14.359 -8.630 10.460
548 HH11 ARG 29 HH11 ARG 29 13.447 -7.790 7.180
549 HH12 ARG 29 HH12 ARG 29 14.698 -8.755 6.448
550 HH21 ARG 29 HH21 ARG 29 15.993 -9.916 9.509
551 HH22 ARG 29 HH22 ARG 29 16.155 -9.958 7.773
552 H LEU 30 H LEU 30 12.575 -2.970 8.259
553 HA LEU 30 HA LEU 30 15.214 -3.428 7.627
554 HB2 LEU 30 HB2 LEU 30 13.424 -3.039 5.989
555 HB3 LEU 30 HB3 LEU 30 13.375 -1.346 6.444
556 HG LEU 30 HG LEU 30 15.695 -1.076 5.629
557 HD11 LEU 30 HD11 LEU 30 15.380 -3.929 4.706
558 HD12 LEU 30 HD12 LEU 30 16.482 -3.357 5.959
559 HD13 LEU 30 HD13 LEU 30 16.710 -2.850 4.285
560 HD21 LEU 30 HD21 LEU 30 15.165 -1.270 3.234
561 HD22 LEU 30 HD22 LEU 30 13.842 -0.553 4.152
562 HD23 LEU 30 HD23 LEU 30 13.748 -2.238 3.639
563 H LYS 31 H LYS 31 13.750 -0.288 8.517
564 HA LYS 31 HA LYS 31 16.123 1.157 8.179
565 HB2 LYS 31 HB2 LYS 31 14.969 2.977 9.364
566 HB3 LYS 31 HB3 LYS 31 13.952 2.251 8.129
567 HG2 LYS 31 HG2 LYS 31 12.882 0.902 9.959
568 HG3 LYS 31 HG3 LYS 31 13.768 1.907 11.108
569 HD2 LYS 31 HD2 LYS 31 12.691 3.901 10.229
570 HD3 LYS 31 HD3 LYS 31 11.839 2.931 9.023
571 HE2 LYS 31 HE2 LYS 31 10.774 1.673 10.892
572 HE3 LYS 31 HE3 LYS 31 11.530 2.802 12.017
573 HZ1 LYS 31 HZ1 LYS 31 10.327 4.615 10.938
574 HZ2 LYS 31 HZ2 LYS 31 9.265 3.443 11.557
575 HZ3 LYS 31 HZ3 LYS 31 9.575 3.509 9.897
576 H LYS 32 H LYS 32 14.725 -0.421 11.023
577 HA LYS 32 HA LYS 32 16.685 0.681 12.799
578 HB2 LYS 32 HB2 LYS 32 14.443 -0.014 13.580
579 HB3 LYS 32 HB3 LYS 32 14.836 -1.681 13.198
580 HG2 LYS 32 HG2 LYS 32 16.492 -0.106 15.138
581 HG3 LYS 32 HG3 LYS 32 15.000 -0.904 15.640
582 HD2 LYS 32 HD2 LYS 32 15.869 -3.049 14.979
583 HD3 LYS 32 HD3 LYS 32 17.308 -2.299 14.286
584 HE2 LYS 32 HE2 LYS 32 17.920 -1.495 16.541
585 HE3 LYS 32 HE3 LYS 32 16.528 -2.354 17.199
586 HZ1 LYS 32 HZ1 LYS 32 18.848 -3.573 15.793
587 HZ2 LYS 32 HZ2 LYS 32 17.478 -4.425 16.324
588 HZ3 LYS 32 HZ3 LYS 32 18.505 -3.685 17.450
589 H LEU 33 H LEU 33 16.285 -2.362 11.062
590 HA LEU 33 HA LEU 33 18.243 -3.842 12.410
591 HB2 LEU 33 HB2 LEU 33 16.483 -4.770 10.930
592 HB3 LEU 33 HB3 LEU 33 17.359 -4.146 9.545
593 HG LEU 33 HG LEU 33 19.287 -5.605 10.178
594 HD11 LEU 33 HD11 LEU 33 18.845 -5.880 12.531
595 HD12 LEU 33 HD12 LEU 33 18.841 -7.458 11.742
596 HD13 LEU 33 HD13 LEU 33 17.317 -6.690 12.185
597 HD21 LEU 33 HD21 LEU 33 18.275 -7.669 9.365
598 HD22 LEU 33 HD22 LEU 33 17.679 -6.275 8.466
599 HD23 LEU 33 HD23 LEU 33 16.669 -7.022 9.700
600 H VAL 34 H VAL 34 18.499 -1.860 9.479
601 HA VAL 34 HA VAL 34 21.205 -2.638 8.999
602 HB VAL 34 HB VAL 34 19.759 -1.946 7.151
603 HG11 VAL 34 HG11 VAL 34 19.203 0.414 6.795
604 HG12 VAL 34 HG12 VAL 34 19.885 0.811 8.373
605 HG13 VAL 34 HG13 VAL 34 18.456 -0.219 8.263
606 HG21 VAL 34 HG21 VAL 34 22.146 -0.138 7.533
607 HG22 VAL 34 HG22 VAL 34 21.341 -0.460 5.999
608 HG23 VAL 34 HG23 VAL 34 22.163 -1.765 6.853
609 H GLY 35 H GLY 35 19.668 0.039 10.668
610 HA2 GLY 35 HA2 GLY 35 22.165 1.499 10.892
611 HA3 GLY 35 HA3 GLY 35 20.605 2.002 11.521
612 H GLU 36 H GLU 36 20.200 -0.599 12.886
613 HA GLU 36 HA GLU 36 20.352 -1.321 15.029
614 HB2 GLU 36 HB2 GLU 36 23.228 -0.826 14.341
615 HB3 GLU 36 HB3 GLU 36 22.790 -1.279 15.983
616 HG2 GLU 36 HG2 GLU 36 22.092 -2.866 13.520
617 HG3 GLU 36 HG3 GLU 36 23.455 -3.198 14.590
618 H ARG 37 H ARG 37 19.388 1.176 14.785
619 HA ARG 37 HA ARG 37 20.807 2.919 16.640
620 HB2 ARG 37 HB2 ARG 37 19.459 3.457 14.332
621 HB3 ARG 37 HB3 ARG 37 18.227 3.815 15.536
622 HG2 ARG 37 HG2 ARG 37 19.414 5.823 15.042
623 HG3 ARG 37 HG3 ARG 37 19.851 5.306 16.672
624 HD2 ARG 37 HD2 ARG 37 21.895 4.267 15.760
625 HD3 ARG 37 HD3 ARG 37 21.472 4.883 14.164
626 HE ARG 37 HE ARG 37 22.168 6.551 16.493
627 HH11 ARG 37 HH11 ARG 37 21.942 6.035 13.045
628 HH12 ARG 37 HH12 ARG 37 22.731 7.525 12.625
629 HH21 ARG 37 HH21 ARG 37 23.239 8.509 15.962
630 HH22 ARG 37 HH22 ARG 37 23.474 8.934 14.287
Start of MODEL 10
1 HA2 GLY 0 HA2 GLY 0 -31.716 2.921 -3.496
2 HA3 GLY 0 HA3 GLY 0 -30.152 2.266 -3.966
3 H ALA 1 H ALA 1 -30.328 4.048 -1.902
4 HA ALA 1 HA ALA 1 -29.086 6.456 -3.055
5 HB1 ALA 1 HB1 ALA 1 -30.980 6.426 -0.710
6 HB2 ALA 1 HB2 ALA 1 -31.360 7.007 -2.330
7 HB3 ALA 1 HB3 ALA 1 -30.144 7.840 -1.359
8 H GLY 2 H GLY 2 -28.099 7.740 -1.006
9 HA2 GLY 2 HA2 GLY 2 -27.080 6.922 1.244
10 HA3 GLY 2 HA3 GLY 2 -26.255 5.788 0.185
11 H SER 3 H SER 3 -26.884 9.274 0.468
12 HA SER 3 HA SER 3 -24.740 10.056 -1.186
13 HB2 SER 3 HB2 SER 3 -26.059 11.695 0.988
14 HB3 SER 3 HB3 SER 3 -25.209 12.302 -0.433
15 HG SER 3 HG SER 3 -27.138 12.304 -1.269
16 H SER 4 H SER 4 -25.049 10.197 2.380
17 HA SER 4 HA SER 4 -22.361 10.978 2.803
18 HB2 SER 4 HB2 SER 4 -24.277 9.607 4.702
19 HB3 SER 4 HB3 SER 4 -22.788 10.431 5.164
20 HG SER 4 HG SER 4 -25.083 11.591 3.942
21 H SER 5 H SER 5 -23.972 7.873 2.624
22 HA SER 5 HA SER 5 -21.908 6.236 3.585
23 HB2 SER 5 HB2 SER 5 -23.882 5.490 1.418
24 HB3 SER 5 HB3 SER 5 -23.123 4.426 2.602
25 HG SER 5 HG SER 5 -24.739 4.839 3.859
26 H LEU 6 H LEU 6 -22.739 7.178 0.253
27 HA LEU 6 HA LEU 6 -20.601 5.816 -0.982
28 HB2 LEU 6 HB2 LEU 6 -22.640 6.598 -2.143
29 HB3 LEU 6 HB3 LEU 6 -22.100 8.253 -1.944
30 HG LEU 6 HG LEU 6 -20.123 7.753 -3.349
31 HD11 LEU 6 HD11 LEU 6 -21.477 5.092 -3.745
32 HD12 LEU 6 HD12 LEU 6 -19.942 5.372 -2.923
33 HD13 LEU 6 HD13 LEU 6 -20.087 5.682 -4.652
34 HD21 LEU 6 HD21 LEU 6 -21.335 7.627 -5.471
35 HD22 LEU 6 HD22 LEU 6 -22.109 8.738 -4.341
36 HD23 LEU 6 HD23 LEU 6 -22.791 7.133 -4.606
37 H GLU 7 H GLU 7 -20.931 9.091 0.288
38 HA GLU 7 HA GLU 7 -18.448 10.048 -0.688
39 HB2 GLU 7 HB2 GLU 7 -20.280 11.528 0.055
40 HB3 GLU 7 HB3 GLU 7 -20.026 10.990 1.712
41 HG2 GLU 7 HG2 GLU 7 -17.703 11.866 1.572
42 HG3 GLU 7 HG3 GLU 7 -18.103 12.540 -0.008
43 H ALA 8 H ALA 8 -19.409 8.363 2.262
44 HA ALA 8 HA ALA 8 -16.988 8.623 3.672
45 HB1 ALA 8 HB1 ALA 8 -18.962 6.340 3.741
46 HB2 ALA 8 HB2 ALA 8 -19.057 7.811 4.711
47 HB3 ALA 8 HB3 ALA 8 -17.725 6.677 4.952
48 H VAL 9 H VAL 9 -18.149 6.145 1.414
49 HA VAL 9 HA VAL 9 -15.796 4.595 1.364
50 HB VAL 9 HB VAL 9 -17.810 4.989 -0.863
51 HG11 VAL 9 HG11 VAL 9 -15.758 3.969 -1.668
52 HG12 VAL 9 HG12 VAL 9 -17.068 2.788 -1.636
53 HG13 VAL 9 HG13 VAL 9 -15.832 2.766 -0.379
54 HG21 VAL 9 HG21 VAL 9 -18.869 4.259 1.213
55 HG22 VAL 9 HG22 VAL 9 -17.734 2.915 1.325
56 HG23 VAL 9 HG23 VAL 9 -18.894 2.979 -0.002
57 H ARG 10 H ARG 10 -16.886 7.303 -0.626
58 HA ARG 10 HA ARG 10 -14.846 7.491 -2.471
59 HB2 ARG 10 HB2 ARG 10 -16.726 8.897 -2.734
60 HB3 ARG 10 HB3 ARG 10 -16.553 9.574 -1.124
61 HG2 ARG 10 HG2 ARG 10 -14.458 10.679 -1.877
62 HG3 ARG 10 HG3 ARG 10 -14.796 10.092 -3.509
63 HD2 ARG 10 HD2 ARG 10 -16.706 11.420 -3.720
64 HD3 ARG 10 HD3 ARG 10 -16.832 11.671 -1.978
65 HE ARG 10 HE ARG 10 -14.430 12.770 -3.067
66 HH11 ARG 10 HH11 ARG 10 -17.862 13.368 -2.701
67 HH12 ARG 10 HH12 ARG 10 -17.686 15.097 -2.692
68 HH21 ARG 10 HH21 ARG 10 -14.198 15.032 -3.056
69 HH22 ARG 10 HH22 ARG 10 -15.617 16.033 -2.907
70 H ARG 11 H ARG 11 -14.979 9.085 0.725
71 HA ARG 11 HA ARG 11 -12.423 10.263 0.568
72 HB2 ARG 11 HB2 ARG 11 -14.133 10.953 2.205
73 HB3 ARG 11 HB3 ARG 11 -13.964 9.412 3.032
74 HG2 ARG 11 HG2 ARG 11 -11.597 9.979 3.507
75 HG3 ARG 11 HG3 ARG 11 -11.868 11.562 2.776
76 HD2 ARG 11 HD2 ARG 11 -13.206 10.431 5.229
77 HD3 ARG 11 HD3 ARG 11 -12.062 11.770 5.162
78 HE ARG 11 HE ARG 11 -14.780 11.857 4.002
79 HH11 ARG 11 HH11 ARG 11 -12.123 13.389 5.713
80 HH12 ARG 11 HH12 ARG 11 -12.899 14.946 5.766
81 HH21 ARG 11 HH21 ARG 11 -15.790 13.877 4.084
82 HH22 ARG 11 HH22 ARG 11 -14.997 15.222 4.845
83 H LYS 12 H LYS 12 -13.544 7.167 1.789
84 HA LYS 12 HA LYS 12 -11.178 6.382 3.074
85 HB2 LYS 12 HB2 LYS 12 -13.514 5.374 3.278
86 HB3 LYS 12 HB3 LYS 12 -13.150 4.497 1.799
87 HG2 LYS 12 HG2 LYS 12 -12.768 3.133 3.782
88 HG3 LYS 12 HG3 LYS 12 -11.271 3.405 2.887
89 HD2 LYS 12 HD2 LYS 12 -10.496 4.975 4.473
90 HD3 LYS 12 HD3 LYS 12 -12.089 5.122 5.221
91 HE2 LYS 12 HE2 LYS 12 -10.412 2.616 5.234
92 HE3 LYS 12 HE3 LYS 12 -10.466 3.787 6.550
93 HZ1 LYS 12 HZ1 LYS 12 -12.771 2.215 5.523
94 HZ2 LYS 12 HZ2 LYS 12 -12.848 3.369 6.759
95 HZ3 LYS 12 HZ3 LYS 12 -11.948 1.948 6.983
96 H ILE 13 H ILE 13 -12.422 5.467 -0.153
97 HA ILE 13 HA ILE 13 -10.145 3.927 -0.810
98 HB ILE 13 HB ILE 13 -10.956 3.974 -3.133
99 HG12 ILE 13 HG12 ILE 13 -13.129 5.802 -2.075
100 HG13 ILE 13 HG13 ILE 13 -11.816 6.300 -3.136
101 HG21 ILE 13 HG21 ILE 13 -13.113 2.867 -2.703
102 HG22 ILE 13 HG22 ILE 13 -13.069 3.467 -1.045
103 HG23 ILE 13 HG23 ILE 13 -11.842 2.328 -1.604
104 HD11 ILE 13 HD11 ILE 13 -13.877 5.973 -4.371
105 HD12 ILE 13 HD12 ILE 13 -13.965 4.305 -3.810
106 HD13 ILE 13 HD13 ILE 13 -12.653 4.807 -4.876
107 H ARG 14 H ARG 14 -10.977 7.308 -1.409
108 HA ARG 14 HA ARG 14 -8.822 7.896 -3.124
109 HB2 ARG 14 HB2 ARG 14 -10.586 9.467 -3.050
110 HB3 ARG 14 HB3 ARG 14 -10.511 9.594 -1.298
111 HG2 ARG 14 HG2 ARG 14 -8.485 10.837 -1.397
112 HG3 ARG 14 HG3 ARG 14 -8.310 10.525 -3.126
113 HD2 ARG 14 HD2 ARG 14 -10.040 11.973 -3.687
114 HD3 ARG 14 HD3 ARG 14 -10.734 11.926 -2.064
115 HE ARG 14 HE ARG 14 -9.271 13.567 -1.399
116 HH11 ARG 14 HH11 ARG 14 -8.344 12.438 -4.597
117 HH12 ARG 14 HH12 ARG 14 -7.189 13.718 -4.837
118 HH21 ARG 14 HH21 ARG 14 -7.753 15.215 -1.714
119 HH22 ARG 14 HH22 ARG 14 -6.819 15.275 -3.185
120 H SER 15 H SER 15 -9.155 8.230 0.391
121 HA SER 15 HA SER 15 -6.596 9.220 0.905
122 HB2 SER 15 HB2 SER 15 -8.459 9.168 2.561
123 HB3 SER 15 HB3 SER 15 -8.267 7.420 2.683
124 HG SER 15 HG SER 15 -6.866 9.401 3.890
125 H LEU 16 H LEU 16 -7.814 5.885 0.774
126 HA LEU 16 HA LEU 16 -5.429 4.612 1.527
127 HB2 LEU 16 HB2 LEU 16 -7.737 3.620 -0.141
128 HB3 LEU 16 HB3 LEU 16 -6.433 2.595 0.424
129 HG LEU 16 HG LEU 16 -8.375 4.095 2.180
130 HD11 LEU 16 HD11 LEU 16 -8.124 1.150 1.582
131 HD12 LEU 16 HD12 LEU 16 -9.409 2.220 1.019
132 HD13 LEU 16 HD13 LEU 16 -9.237 1.882 2.741
133 HD21 LEU 16 HD21 LEU 16 -6.191 3.906 3.224
134 HD22 LEU 16 HD22 LEU 16 -6.165 2.174 2.890
135 HD23 LEU 16 HD23 LEU 16 -7.351 2.839 4.015
136 H GLN 17 H GLN 17 -6.710 5.363 -1.715
137 HA GLN 17 HA GLN 17 -4.672 4.108 -3.172
138 HB2 GLN 17 HB2 GLN 17 -6.369 6.501 -3.877
139 HB3 GLN 17 HB3 GLN 17 -5.285 5.711 -5.011
140 HG2 GLN 17 HG2 GLN 17 -6.553 3.623 -4.734
141 HG3 GLN 17 HG3 GLN 17 -7.661 4.462 -3.650
142 HE21 GLN 17 HE21 GLN 17 -9.425 4.102 -4.981
143 HE22 GLN 17 HE22 GLN 17 -9.639 4.926 -6.490
144 H GLU 18 H GLU 18 -4.902 7.434 -1.961
145 HA GLU 18 HA GLU 18 -2.422 8.248 -3.079
146 HB2 GLU 18 HB2 GLU 18 -4.161 9.846 -2.461
147 HB3 GLU 18 HB3 GLU 18 -3.985 9.404 -0.767
148 HG2 GLU 18 HG2 GLU 18 -1.731 10.256 -0.743
149 HG3 GLU 18 HG3 GLU 18 -1.827 10.629 -2.464
150 H GLN 19 H GLN 19 -3.376 6.943 0.055
151 HA GLN 19 HA GLN 19 -0.926 7.271 1.389
152 HB2 GLN 19 HB2 GLN 19 -3.150 6.649 2.413
153 HB3 GLN 19 HB3 GLN 19 -2.900 5.020 1.806
154 HG2 GLN 19 HG2 GLN 19 -2.293 5.173 4.140
155 HG3 GLN 19 HG3 GLN 19 -0.875 4.826 3.148
156 HE21 GLN 19 HE21 GLN 19 -2.541 7.261 5.019
157 HE22 GLN 19 HE22 GLN 19 -1.170 8.296 5.233
158 H ASN 20 H ASN 20 -2.224 4.508 -0.448
159 HA ASN 20 HA ASN 20 0.003 2.821 -0.216
160 HB2 ASN 20 HB2 ASN 20 -2.177 3.062 -2.269
161 HB3 ASN 20 HB3 ASN 20 -0.839 1.950 -2.529
162 HD21 ASN 20 HD21 ASN 20 -3.637 2.667 -0.594
163 HD22 ASN 20 HD22 ASN 20 -3.758 1.112 0.155
164 H TYR 21 H TYR 21 -0.757 5.327 -2.580
165 HA TYR 21 HA TYR 21 1.424 4.980 -4.300
166 HB2 TYR 21 HB2 TYR 21 -0.613 6.435 -4.667
167 HB3 TYR 21 HB3 TYR 21 0.115 7.609 -3.580
168 HD1 TYR 21 HD1 TYR 21 0.420 5.961 -6.855
169 HD2 TYR 21 HD2 TYR 21 1.886 9.048 -4.318
170 HE1 TYR 21 HE1 TYR 21 1.607 6.955 -8.763
171 HE2 TYR 21 HE2 TYR 21 3.079 10.053 -6.221
172 HH TYR 21 HH TYR 21 4.035 9.085 -8.507
173 H HIS 22 H HIS 22 1.036 7.027 -1.428
174 HA HIS 22 HA HIS 22 3.594 8.183 -1.434
175 HB2 HIS 22 HB2 HIS 22 1.632 7.633 0.784
176 HB3 HIS 22 HB3 HIS 22 3.179 8.411 1.086
177 HD1 HIS 22 HD1 HIS 22 1.493 10.355 1.939
178 HD2 HIS 22 HD2 HIS 22 1.703 9.712 -2.170
179 HE1 HIS 22 HE1 HIS 22 0.520 12.421 0.874
180 HE2 HIS 22 HE2 HIS 22 0.638 12.009 -1.613
181 H LEU 23 H LEU 23 2.377 5.335 0.320
182 HA LEU 23 HA LEU 23 4.746 4.696 1.645
183 HB2 LEU 23 HB2 LEU 23 2.528 2.881 0.708
184 HB3 LEU 23 HB3 LEU 23 3.796 2.398 1.816
185 HG LEU 23 HG LEU 23 1.723 4.532 2.332
186 HD11 LEU 23 HD11 LEU 23 2.055 1.764 3.479
187 HD12 LEU 23 HD12 LEU 23 0.789 2.288 2.370
188 HD13 LEU 23 HD13 LEU 23 0.866 2.958 3.999
189 HD21 LEU 23 HD21 LEU 23 3.830 5.064 3.428
190 HD22 LEU 23 HD22 LEU 23 3.901 3.439 4.112
191 HD23 LEU 23 HD23 LEU 23 2.626 4.552 4.612
192 H GLU 24 H GLU 24 3.547 3.591 -1.509
193 HA GLU 24 HA GLU 24 5.566 1.751 -2.081
194 HB2 GLU 24 HB2 GLU 24 3.513 1.954 -3.417
195 HB3 GLU 24 HB3 GLU 24 4.047 3.520 -4.008
196 HG2 GLU 24 HG2 GLU 24 6.066 2.332 -4.946
197 HG3 GLU 24 HG3 GLU 24 5.230 0.824 -4.587
198 H ASN 25 H ASN 25 5.373 5.207 -2.903
199 HA ASN 25 HA ASN 25 7.912 5.213 -4.201
200 HB2 ASN 25 HB2 ASN 25 6.070 7.410 -3.279
201 HB3 ASN 25 HB3 ASN 25 7.644 7.758 -3.990
202 HD21 ASN 25 HD21 ASN 25 4.449 6.502 -4.568
203 HD22 ASN 25 HD22 ASN 25 4.552 6.510 -6.297
204 H GLU 26 H GLU 26 6.808 5.986 -0.957
205 HA GLU 26 HA GLU 26 9.225 7.150 -0.076
206 HB2 GLU 26 HB2 GLU 26 7.032 7.434 1.036
207 HB3 GLU 26 HB3 GLU 26 7.107 5.760 1.568
208 HG2 GLU 26 HG2 GLU 26 8.832 6.183 3.063
209 HG3 GLU 26 HG3 GLU 26 9.283 7.691 2.267
210 H VAL 27 H VAL 27 7.978 3.814 0.134
211 HA VAL 27 HA VAL 27 10.252 2.834 1.532
212 HB VAL 27 HB VAL 27 8.030 1.664 1.460
213 HG11 VAL 27 HG11 VAL 27 7.564 1.819 -0.919
214 HG12 VAL 27 HG12 VAL 27 7.562 0.137 -0.389
215 HG13 VAL 27 HG13 VAL 27 8.946 0.782 -1.272
216 HG21 VAL 27 HG21 VAL 27 8.988 -0.595 1.458
217 HG22 VAL 27 HG22 VAL 27 10.000 0.556 2.327
218 HG23 VAL 27 HG23 VAL 27 10.452 0.036 0.703
219 H ALA 28 H ALA 28 9.481 3.288 -1.865
220 HA ALA 28 HA ALA 28 11.640 1.850 -2.967
221 HB1 ALA 28 HB1 ALA 28 11.325 3.239 -4.954
222 HB2 ALA 28 HB2 ALA 28 10.290 4.328 -4.031
223 HB3 ALA 28 HB3 ALA 28 9.781 2.666 -4.323
224 H ARG 29 H ARG 29 11.361 5.214 -1.882
225 HA ARG 29 HA ARG 29 14.013 5.982 -2.510
226 HB2 ARG 29 HB2 ARG 29 11.842 7.057 -0.782
227 HB3 ARG 29 HB3 ARG 29 13.473 7.622 -0.461
228 HG2 ARG 29 HG2 ARG 29 12.232 9.123 -1.947
229 HG3 ARG 29 HG3 ARG 29 13.670 8.459 -2.718
230 HD2 ARG 29 HD2 ARG 29 12.385 6.958 -4.021
231 HD3 ARG 29 HD3 ARG 29 10.930 7.275 -3.077
232 HE ARG 29 HE ARG 29 11.334 9.689 -4.034
233 HH11 ARG 29 HH11 ARG 29 11.795 6.646 -5.716
234 HH12 ARG 29 HH12 ARG 29 11.284 7.277 -7.259
235 HH21 ARG 29 HH21 ARG 29 10.681 10.518 -6.062
236 HH22 ARG 29 HH22 ARG 29 10.655 9.482 -7.452
237 H LEU 30 H LEU 30 12.527 4.621 0.394
238 HA LEU 30 HA LEU 30 14.801 4.840 2.045
239 HB2 LEU 30 HB2 LEU 30 12.292 4.317 2.600
240 HB3 LEU 30 HB3 LEU 30 12.796 2.651 2.418
241 HG LEU 30 HG LEU 30 14.165 4.547 4.322
242 HD11 LEU 30 HD11 LEU 30 11.808 4.424 4.916
243 HD12 LEU 30 HD12 LEU 30 12.801 3.564 6.093
244 HD13 LEU 30 HD13 LEU 30 11.882 2.662 4.887
245 HD21 LEU 30 HD21 LEU 30 14.049 1.536 4.183
246 HD22 LEU 30 HD22 LEU 30 14.893 2.482 5.406
247 HD23 LEU 30 HD23 LEU 30 15.423 2.542 3.726
248 H LYS 31 H LYS 31 13.577 2.094 0.092
249 HA LYS 31 HA LYS 31 15.657 0.335 0.832
250 HB2 LYS 31 HB2 LYS 31 14.989 -1.077 -0.986
251 HB3 LYS 31 HB3 LYS 31 13.541 -0.403 -0.258
252 HG2 LYS 31 HG2 LYS 31 13.189 1.061 -2.069
253 HG3 LYS 31 HG3 LYS 31 14.806 0.775 -2.715
254 HD2 LYS 31 HD2 LYS 31 14.181 -1.570 -3.159
255 HD3 LYS 31 HD3 LYS 31 12.551 -1.227 -2.573
256 HE2 LYS 31 HE2 LYS 31 12.197 0.358 -4.348
257 HE3 LYS 31 HE3 LYS 31 13.870 0.199 -4.877
258 HZ1 LYS 31 HZ1 LYS 31 13.476 -2.020 -5.577
259 HZ2 LYS 31 HZ2 LYS 31 12.228 -1.073 -6.224
260 HZ3 LYS 31 HZ3 LYS 31 11.934 -2.053 -4.871
261 H LYS 32 H LYS 32 15.409 2.777 -1.674
262 HA LYS 32 HA LYS 32 17.805 2.160 -3.037
263 HB2 LYS 32 HB2 LYS 32 16.098 3.675 -3.950
264 HB3 LYS 32 HB3 LYS 32 16.428 4.827 -2.662
265 HG2 LYS 32 HG2 LYS 32 18.748 5.033 -3.518
266 HG3 LYS 32 HG3 LYS 32 18.291 4.001 -4.874
267 HD2 LYS 32 HD2 LYS 32 16.561 5.629 -5.514
268 HD3 LYS 32 HD3 LYS 32 17.051 6.662 -4.169
269 HE2 LYS 32 HE2 LYS 32 18.050 7.479 -6.205
270 HE3 LYS 32 HE3 LYS 32 19.310 6.821 -5.162
271 HZ1 LYS 32 HZ1 LYS 32 18.061 5.399 -7.453
272 HZ2 LYS 32 HZ2 LYS 32 19.315 4.806 -6.475
273 HZ3 LYS 32 HZ3 LYS 32 19.584 6.148 -7.474
274 H LEU 33 H LEU 33 17.074 4.261 -0.287
275 HA LEU 33 HA LEU 33 19.674 5.337 -0.003
276 HB2 LEU 33 HB2 LEU 33 17.648 6.379 0.930
277 HB3 LEU 33 HB3 LEU 33 17.486 5.045 2.054
278 HG LEU 33 HG LEU 33 19.654 5.680 3.077
279 HD11 LEU 33 HD11 LEU 33 20.638 7.842 2.547
280 HD12 LEU 33 HD12 LEU 33 19.441 8.088 1.276
281 HD13 LEU 33 HD13 LEU 33 20.630 6.794 1.128
282 HD21 LEU 33 HD21 LEU 33 18.817 7.670 4.228
283 HD22 LEU 33 HD22 LEU 33 17.553 6.454 4.040
284 HD23 LEU 33 HD23 LEU 33 17.580 7.867 2.985
285 H VAL 34 H VAL 34 18.026 2.623 1.620
286 HA VAL 34 HA VAL 34 20.241 2.100 3.353
287 HB VAL 34 HB VAL 34 17.946 1.485 4.003
288 HG11 VAL 34 HG11 VAL 34 18.167 -0.627 1.865
289 HG12 VAL 34 HG12 VAL 34 17.087 0.767 1.849
290 HG13 VAL 34 HG13 VAL 34 16.871 -0.500 3.057
291 HG21 VAL 34 HG21 VAL 34 19.793 0.378 5.107
292 HG22 VAL 34 HG22 VAL 34 19.858 -0.841 3.834
293 HG23 VAL 34 HG23 VAL 34 18.455 -0.755 4.899
294 H GLY 35 H GLY 35 19.193 0.818 0.247
295 HA2 GLY 35 HA2 GLY 35 21.026 -1.380 0.261
296 HA3 GLY 35 HA3 GLY 35 20.105 -0.801 -1.118
297 H GLU 36 H GLU 36 20.997 1.815 -1.245
298 HA GLU 36 HA GLU 36 22.604 3.111 -2.159
299 HB2 GLU 36 HB2 GLU 36 24.388 1.329 -0.500
300 HB3 GLU 36 HB3 GLU 36 24.984 2.712 -1.408
301 HG2 GLU 36 HG2 GLU 36 23.517 4.180 -0.104
302 HG3 GLU 36 HG3 GLU 36 22.961 2.782 0.818
303 H ARG 37 H ARG 37 24.915 2.871 -3.304
304 HA ARG 37 HA ARG 37 25.181 0.408 -4.800
305 HB2 ARG 37 HB2 ARG 37 23.543 1.854 -6.082
306 HB3 ARG 37 HB3 ARG 37 24.839 3.024 -6.280
307 HG2 ARG 37 HG2 ARG 37 26.175 1.315 -7.441
308 HG3 ARG 37 HG3 ARG 37 24.824 0.192 -7.289
309 HD2 ARG 37 HD2 ARG 37 23.420 1.831 -8.540
310 HD3 ARG 37 HD3 ARG 37 24.876 2.789 -8.812
311 HE ARG 37 HE ARG 37 24.794 -0.012 -9.699
312 HH11 ARG 37 HH11 ARG 37 25.157 3.396 -10.417
313 HH12 ARG 37 HH12 ARG 37 25.429 3.140 -12.115
314 HH21 ARG 37 HH21 ARG 37 25.148 -0.351 -11.932
315 HH22 ARG 37 HH22 ARG 37 25.422 1.011 -12.975
316 HA2 GLY 0 HA2 GLY 0 -24.342 -1.528 -2.168
317 HA3 GLY 0 HA3 GLY 0 -23.033 -1.840 -1.034
318 H ALA 1 H ALA 1 -26.514 -2.551 -1.389
319 HA ALA 1 HA ALA 1 -26.215 -5.002 0.116
320 HB1 ALA 1 HB1 ALA 1 -28.227 -3.655 0.374
321 HB2 ALA 1 HB2 ALA 1 -28.621 -5.260 -0.241
322 HB3 ALA 1 HB3 ALA 1 -28.604 -3.875 -1.334
323 H GLY 2 H GLY 2 -26.229 -7.069 -0.661
324 HA2 GLY 2 HA2 GLY 2 -26.979 -8.516 -2.565
325 HA3 GLY 2 HA3 GLY 2 -26.187 -7.342 -3.604
326 H SER 3 H SER 3 -25.612 -10.108 -3.565
327 HA SER 3 HA SER 3 -23.269 -10.611 -2.003
328 HB2 SER 3 HB2 SER 3 -23.135 -12.623 -3.634
329 HB3 SER 3 HB3 SER 3 -24.505 -12.528 -2.526
330 HG SER 3 HG SER 3 -24.413 -12.170 -5.303
331 H SER 4 H SER 4 -23.853 -9.026 -4.961
332 HA SER 4 HA SER 4 -21.375 -9.537 -6.241
333 HB2 SER 4 HB2 SER 4 -23.224 -7.168 -6.620
334 HB3 SER 4 HB3 SER 4 -22.029 -7.774 -7.767
335 HG SER 4 HG SER 4 -23.518 -9.836 -7.272
336 H SER 5 H SER 5 -22.641 -6.583 -4.706
337 HA SER 5 HA SER 5 -20.235 -5.195 -4.660
338 HB2 SER 5 HB2 SER 5 -21.421 -3.889 -2.777
339 HB3 SER 5 HB3 SER 5 -22.193 -3.924 -4.361
340 HG SER 5 HG SER 5 -23.120 -4.834 -1.987
341 H LEU 6 H LEU 6 -21.765 -7.219 -2.189
342 HA LEU 6 HA LEU 6 -20.117 -6.773 -0.049
343 HB2 LEU 6 HB2 LEU 6 -22.161 -8.133 0.010
344 HB3 LEU 6 HB3 LEU 6 -21.350 -9.390 -0.904
345 HG LEU 6 HG LEU 6 -19.769 -9.705 0.984
346 HD11 LEU 6 HD11 LEU 6 -21.574 -7.730 2.373
347 HD12 LEU 6 HD12 LEU 6 -19.875 -7.495 1.967
348 HD13 LEU 6 HD13 LEU 6 -20.337 -8.709 3.162
349 HD21 LEU 6 HD21 LEU 6 -21.353 -10.835 2.450
350 HD22 LEU 6 HD22 LEU 6 -21.763 -11.105 0.757
351 HD23 LEU 6 HD23 LEU 6 -22.686 -9.947 1.716
352 H GLU 7 H GLU 7 -19.720 -9.374 -2.456
353 HA GLU 7 HA GLU 7 -17.274 -10.253 -1.352
354 HB2 GLU 7 HB2 GLU 7 -18.778 -11.714 -2.649
355 HB3 GLU 7 HB3 GLU 7 -18.431 -10.776 -4.095
356 HG2 GLU 7 HG2 GLU 7 -16.087 -11.431 -3.966
357 HG3 GLU 7 HG3 GLU 7 -16.422 -12.354 -2.503
358 H ALA 8 H ALA 8 -18.098 -8.300 -4.197
359 HA ALA 8 HA ALA 8 -15.593 -8.090 -5.331
360 HB1 ALA 8 HB1 ALA 8 -17.700 -7.359 -6.393
361 HB2 ALA 8 HB2 ALA 8 -16.417 -6.153 -6.497
362 HB3 ALA 8 HB3 ALA 8 -17.719 -5.954 -5.324
363 H VAL 9 H VAL 9 -17.126 -5.883 -2.994
364 HA VAL 9 HA VAL 9 -14.924 -4.128 -2.860
365 HB VAL 9 HB VAL 9 -17.141 -4.566 -0.852
366 HG11 VAL 9 HG11 VAL 9 -15.201 -2.266 -1.104
367 HG12 VAL 9 HG12 VAL 9 -15.215 -3.474 0.182
368 HG13 VAL 9 HG13 VAL 9 -16.565 -2.352 0.011
369 HG21 VAL 9 HG21 VAL 9 -17.971 -3.880 -3.029
370 HG22 VAL 9 HG22 VAL 9 -16.835 -2.532 -3.057
371 HG23 VAL 9 HG23 VAL 9 -18.135 -2.565 -1.867
372 H ARG 10 H ARG 10 -16.039 -6.669 -0.618
373 HA ARG 10 HA ARG 10 -14.088 -6.389 1.314
374 HB2 ARG 10 HB2 ARG 10 -16.077 -7.795 1.590
375 HB3 ARG 10 HB3 ARG 10 -15.451 -8.929 0.401
376 HG2 ARG 10 HG2 ARG 10 -15.102 -9.787 2.623
377 HG3 ARG 10 HG3 ARG 10 -13.545 -9.401 1.887
378 HD2 ARG 10 HD2 ARG 10 -13.548 -7.251 3.107
379 HD3 ARG 10 HD3 ARG 10 -15.058 -7.722 3.883
380 HE ARG 10 HE ARG 10 -13.101 -9.713 4.308
381 HH11 ARG 10 HH11 ARG 10 -13.955 -6.463 5.307
382 HH12 ARG 10 HH12 ARG 10 -13.187 -6.599 6.860
383 HH21 ARG 10 HH21 ARG 10 -12.064 -9.890 6.339
384 HH22 ARG 10 HH22 ARG 10 -12.079 -8.537 7.433
385 H ARG 11 H ARG 11 -14.066 -8.419 -1.584
386 HA ARG 11 HA ARG 11 -11.689 -9.767 -1.166
387 HB2 ARG 11 HB2 ARG 11 -13.190 -10.475 -2.878
388 HB3 ARG 11 HB3 ARG 11 -13.121 -8.915 -3.678
389 HG2 ARG 11 HG2 ARG 11 -10.804 -9.325 -4.301
390 HG3 ARG 11 HG3 ARG 11 -10.861 -10.894 -3.489
391 HD2 ARG 11 HD2 ARG 11 -12.514 -11.698 -5.015
392 HD3 ARG 11 HD3 ARG 11 -12.716 -10.097 -5.724
393 HE ARG 11 HE ARG 11 -10.167 -10.503 -6.267
394 HH11 ARG 11 HH11 ARG 11 -12.825 -12.776 -6.473
395 HH12 ARG 11 HH12 ARG 11 -12.163 -13.630 -7.834
396 HH21 ARG 11 HH21 ARG 11 -9.292 -11.611 -8.039
397 HH22 ARG 11 HH22 ARG 11 -10.124 -12.985 -8.701
398 H LYS 12 H LYS 12 -12.268 -6.574 -2.586
399 HA LYS 12 HA LYS 12 -9.559 -6.391 -3.514
400 HB2 LYS 12 HB2 LYS 12 -11.757 -5.323 -4.501
401 HB3 LYS 12 HB3 LYS 12 -11.381 -4.027 -3.374
402 HG2 LYS 12 HG2 LYS 12 -10.482 -3.516 -5.553
403 HG3 LYS 12 HG3 LYS 12 -9.159 -3.800 -4.417
404 HD2 LYS 12 HD2 LYS 12 -8.866 -6.046 -5.268
405 HD3 LYS 12 HD3 LYS 12 -10.258 -5.856 -6.329
406 HE2 LYS 12 HE2 LYS 12 -8.244 -5.594 -7.614
407 HE3 LYS 12 HE3 LYS 12 -9.067 -4.039 -7.507
408 HZ1 LYS 12 HZ1 LYS 12 -6.908 -4.758 -5.618
409 HZ2 LYS 12 HZ2 LYS 12 -7.480 -3.215 -6.044
410 HZ3 LYS 12 HZ3 LYS 12 -6.560 -4.112 -7.145
411 H ILE 13 H ILE 13 -11.520 -4.876 -0.958
412 HA ILE 13 HA ILE 13 -9.496 -3.059 -0.222
413 HB ILE 13 HB ILE 13 -10.835 -2.633 1.814
414 HG12 ILE 13 HG12 ILE 13 -13.252 -3.710 1.582
415 HG13 ILE 13 HG13 ILE 13 -12.349 -5.013 0.820
416 HG21 ILE 13 HG21 ILE 13 -12.333 -2.646 -0.797
417 HG22 ILE 13 HG22 ILE 13 -11.243 -1.392 -0.207
418 HG23 ILE 13 HG23 ILE 13 -12.770 -1.693 0.622
419 HD11 ILE 13 HD11 ILE 13 -11.898 -3.947 3.598
420 HD12 ILE 13 HD12 ILE 13 -11.005 -5.263 2.838
421 HD13 ILE 13 HD13 ILE 13 -12.724 -5.448 3.179
422 H ARG 14 H ARG 14 -10.178 -6.352 0.740
423 HA ARG 14 HA ARG 14 -8.648 -6.261 3.127
424 HB2 ARG 14 HB2 ARG 14 -8.816 -8.659 3.164
425 HB3 ARG 14 HB3 ARG 14 -10.366 -7.998 2.671
426 HG2 ARG 14 HG2 ARG 14 -9.963 -8.588 0.387
427 HG3 ARG 14 HG3 ARG 14 -8.311 -9.084 0.758
428 HD2 ARG 14 HD2 ARG 14 -10.862 -10.376 1.711
429 HD3 ARG 14 HD3 ARG 14 -9.696 -11.042 0.567
430 HE ARG 14 HE ARG 14 -9.201 -10.631 3.451
431 HH11 ARG 14 HH11 ARG 14 -8.522 -12.269 0.431
432 HH12 ARG 14 HH12 ARG 14 -7.392 -13.372 1.136
433 HH21 ARG 14 HH21 ARG 14 -7.707 -12.091 4.383
434 HH22 ARG 14 HH22 ARG 14 -6.940 -13.292 3.378
435 H SER 15 H SER 15 -7.922 -6.695 -0.229
436 HA SER 15 HA SER 15 -5.329 -7.801 0.123
437 HB2 SER 15 HB2 SER 15 -6.593 -8.098 -1.969
438 HB3 SER 15 HB3 SER 15 -6.569 -6.357 -2.237
439 HG SER 15 HG SER 15 -4.095 -7.518 -1.833
440 H LEU 16 H LEU 16 -6.692 -4.569 -0.280
441 HA LEU 16 HA LEU 16 -4.299 -3.139 -0.494
442 HB2 LEU 16 HB2 LEU 16 -6.914 -2.287 0.760
443 HB3 LEU 16 HB3 LEU 16 -5.617 -1.208 0.287
444 HG LEU 16 HG LEU 16 -7.240 -2.917 -1.601
445 HD11 LEU 16 HD11 LEU 16 -8.147 -0.758 -2.366
446 HD12 LEU 16 HD12 LEU 16 -7.278 0.047 -1.058
447 HD13 LEU 16 HD13 LEU 16 -8.558 -1.106 -0.686
448 HD21 LEU 16 HD21 LEU 16 -5.125 -0.839 -2.155
449 HD22 LEU 16 HD22 LEU 16 -6.101 -1.671 -3.366
450 HD23 LEU 16 HD23 LEU 16 -4.950 -2.578 -2.383
451 H GLN 17 H GLN 17 -6.242 -4.075 2.306
452 HA GLN 17 HA GLN 17 -4.709 -2.887 4.293
453 HB2 GLN 17 HB2 GLN 17 -6.387 -5.398 4.352
454 HB3 GLN 17 HB3 GLN 17 -5.690 -4.654 5.784
455 HG2 GLN 17 HG2 GLN 17 -6.972 -2.640 5.404
456 HG3 GLN 17 HG3 GLN 17 -7.626 -3.315 3.913
457 HE21 GLN 17 HE21 GLN 17 -9.725 -3.099 4.672
458 HE22 GLN 17 HE22 GLN 17 -10.382 -4.151 5.878
459 H GLU 18 H GLU 18 -4.412 -6.029 2.718
460 HA GLU 18 HA GLU 18 -2.407 -7.110 4.333
461 HB2 GLU 18 HB2 GLU 18 -3.839 -8.224 2.495
462 HB3 GLU 18 HB3 GLU 18 -2.644 -7.606 1.367
463 HG2 GLU 18 HG2 GLU 18 -1.971 -9.399 3.685
464 HG3 GLU 18 HG3 GLU 18 -2.347 -9.989 2.070
465 H GLN 19 H GLN 19 -2.186 -5.357 1.246
466 HA GLN 19 HA GLN 19 0.574 -5.272 1.036
467 HB2 GLN 19 HB2 GLN 19 -0.895 -4.691 -0.808
468 HB3 GLN 19 HB3 GLN 19 -1.499 -3.297 0.073
469 HG2 GLN 19 HG2 GLN 19 0.559 -2.159 -0.129
470 HG3 GLN 19 HG3 GLN 19 1.384 -3.610 -0.695
471 HE21 GLN 19 HE21 GLN 19 -0.841 -1.055 -1.554
472 HE22 GLN 19 HE22 GLN 19 -0.761 -1.310 -3.264
473 H ASN 20 H ASN 20 -1.651 -2.947 2.534
474 HA ASN 20 HA ASN 20 0.199 -1.016 3.295
475 HB2 ASN 20 HB2 ASN 20 -2.471 -1.857 4.392
476 HB3 ASN 20 HB3 ASN 20 -1.521 -0.624 5.216
477 HD21 ASN 20 HD21 ASN 20 -1.317 -0.908 1.776
478 HD22 ASN 20 HD22 ASN 20 -2.212 0.519 1.402
479 H TYR 21 H TYR 21 -1.094 -3.715 5.196
480 HA TYR 21 HA TYR 21 0.409 -3.295 7.496
481 HB2 TYR 21 HB2 TYR 21 -1.537 -4.755 7.440
482 HB3 TYR 21 HB3 TYR 21 -0.722 -5.847 6.327
483 HD1 TYR 21 HD1 TYR 21 -0.720 -4.571 9.799
484 HD2 TYR 21 HD2 TYR 21 0.734 -7.544 7.126
485 HE1 TYR 21 HE1 TYR 21 0.115 -5.874 11.709
486 HE2 TYR 21 HE2 TYR 21 1.569 -8.855 9.029
487 HH TYR 21 HH TYR 21 0.653 -8.268 12.212
488 H HIS 22 H HIS 22 1.021 -5.420 4.719
489 HA HIS 22 HA HIS 22 3.346 -6.617 5.664
490 HB2 HIS 22 HB2 HIS 22 1.816 -6.976 3.483
491 HB3 HIS 22 HB3 HIS 22 3.150 -6.093 2.753
492 HD1 HIS 22 HD1 HIS 22 2.086 -9.386 3.428
493 HD2 HIS 22 HD2 HIS 22 5.762 -7.445 3.547
494 HE1 HIS 22 HE1 HIS 22 3.818 -11.211 3.349
495 HE2 HIS 22 HE2 HIS 22 6.036 -10.011 3.297
496 H LEU 23 H LEU 23 2.952 -3.777 3.557
497 HA LEU 23 HA LEU 23 5.657 -3.274 3.148
498 HB2 LEU 23 HB2 LEU 23 3.303 -1.393 3.202
499 HB3 LEU 23 HB3 LEU 23 4.913 -0.908 2.714
500 HG LEU 23 HG LEU 23 3.203 -2.982 1.335
501 HD11 LEU 23 HD11 LEU 23 2.376 -0.720 0.999
502 HD12 LEU 23 HD12 LEU 23 3.102 -1.341 -0.483
503 HD13 LEU 23 HD13 LEU 23 3.985 -0.186 0.516
504 HD21 LEU 23 HD21 LEU 23 4.962 -2.933 -0.393
505 HD22 LEU 23 HD22 LEU 23 5.558 -3.536 1.155
506 HD23 LEU 23 HD23 LEU 23 5.930 -1.888 0.649
507 H GLU 24 H GLU 24 3.449 -1.877 5.573
508 HA GLU 24 HA GLU 24 5.354 -0.164 6.700
509 HB2 GLU 24 HB2 GLU 24 2.935 0.128 7.009
510 HB3 GLU 24 HB3 GLU 24 2.878 -1.343 7.971
511 HG2 GLU 24 HG2 GLU 24 4.211 -0.345 9.692
512 HG3 GLU 24 HG3 GLU 24 4.501 1.082 8.699
513 H ASN 25 H ASN 25 4.328 -3.439 7.557
514 HA ASN 25 HA ASN 25 5.791 -3.676 9.929
515 HB2 ASN 25 HB2 ASN 25 4.013 -5.249 9.291
516 HB3 ASN 25 HB3 ASN 25 4.997 -5.834 7.956
517 HD21 ASN 25 HD21 ASN 25 6.588 -7.307 8.331
518 HD22 ASN 25 HD22 ASN 25 6.860 -8.029 9.883
519 H GLU 26 H GLU 26 6.617 -4.578 6.603
520 HA GLU 26 HA GLU 26 9.165 -5.593 7.289
521 HB2 GLU 26 HB2 GLU 26 7.609 -5.162 4.829
522 HB3 GLU 26 HB3 GLU 26 9.353 -5.076 4.624
523 HG2 GLU 26 HG2 GLU 26 8.138 -7.334 4.328
524 HG3 GLU 26 HG3 GLU 26 9.673 -7.279 5.192
525 H VAL 27 H VAL 27 8.051 -2.453 6.032
526 HA VAL 27 HA VAL 27 10.658 -1.474 5.562
527 HB VAL 27 HB VAL 27 8.549 -0.504 4.572
528 HG11 VAL 27 HG11 VAL 27 7.175 -0.339 6.552
529 HG12 VAL 27 HG12 VAL 27 7.395 1.258 5.834
530 HG13 VAL 27 HG13 VAL 27 8.305 0.800 7.276
531 HG21 VAL 27 HG21 VAL 27 10.699 0.609 4.376
532 HG22 VAL 27 HG22 VAL 27 10.434 1.419 5.920
533 HG23 VAL 27 HG23 VAL 27 9.392 1.784 4.546
534 H ALA 28 H ALA 28 8.558 -1.534 8.378
535 HA ALA 28 HA ALA 28 10.034 0.217 10.005
536 HB1 ALA 28 HB1 ALA 28 7.777 -0.533 10.581
537 HB2 ALA 28 HB2 ALA 28 8.913 -0.884 11.883
538 HB3 ALA 28 HB3 ALA 28 8.371 -2.176 10.810
539 H ARG 29 H ARG 29 10.181 -3.274 9.505
540 HA ARG 29 HA ARG 29 12.245 -3.892 11.258
541 HB2 ARG 29 HB2 ARG 29 10.791 -5.501 9.963
542 HB3 ARG 29 HB3 ARG 29 11.768 -5.146 8.547
543 HG2 ARG 29 HG2 ARG 29 13.766 -5.901 9.900
544 HG3 ARG 29 HG3 ARG 29 12.610 -6.515 11.083
545 HD2 ARG 29 HD2 ARG 29 12.986 -7.368 8.224
546 HD3 ARG 29 HD3 ARG 29 13.155 -8.341 9.683
547 HE ARG 29 HE ARG 29 10.677 -7.603 8.338
548 HH11 ARG 29 HH11 ARG 29 12.189 -9.023 11.158
549 HH12 ARG 29 HH12 ARG 29 10.773 -9.904 11.632
550 HH21 ARG 29 HH21 ARG 29 8.836 -8.763 8.917
551 HH22 ARG 29 HH22 ARG 29 8.851 -9.752 10.359
552 H LEU 30 H LEU 30 12.299 -2.916 7.865
553 HA LEU 30 HA LEU 30 15.045 -3.165 7.444
554 HB2 LEU 30 HB2 LEU 30 13.384 -3.024 5.647
555 HB3 LEU 30 HB3 LEU 30 13.049 -1.359 6.077
556 HG LEU 30 HG LEU 30 15.361 -0.747 5.449
557 HD11 LEU 30 HD11 LEU 30 16.741 -2.350 4.226
558 HD12 LEU 30 HD12 LEU 30 15.548 -3.613 4.525
559 HD13 LEU 30 HD13 LEU 30 16.434 -2.901 5.873
560 HD21 LEU 30 HD21 LEU 30 13.814 -2.198 3.307
561 HD22 LEU 30 HD22 LEU 30 15.058 -0.976 3.036
562 HD23 LEU 30 HD23 LEU 30 13.547 -0.537 3.834
563 H LYS 31 H LYS 31 13.101 -0.285 8.267
564 HA LYS 31 HA LYS 31 15.281 1.490 8.163
565 HB2 LYS 31 HB2 LYS 31 13.823 3.127 9.162
566 HB3 LYS 31 HB3 LYS 31 12.904 2.199 7.989
567 HG2 LYS 31 HG2 LYS 31 12.001 0.842 9.873
568 HG3 LYS 31 HG3 LYS 31 12.810 1.950 10.984
569 HD2 LYS 31 HD2 LYS 31 11.538 3.821 9.978
570 HD3 LYS 31 HD3 LYS 31 10.674 2.657 8.971
571 HE2 LYS 31 HE2 LYS 31 9.891 1.529 11.042
572 HE3 LYS 31 HE3 LYS 31 10.659 2.804 11.986
573 HZ1 LYS 31 HZ1 LYS 31 8.396 3.088 10.085
574 HZ2 LYS 31 HZ2 LYS 31 9.214 4.406 10.767
575 HZ3 LYS 31 HZ3 LYS 31 8.365 3.328 11.763
576 H LYS 32 H LYS 32 13.935 -0.500 10.724
577 HA LYS 32 HA LYS 32 15.468 0.674 12.823
578 HB2 LYS 32 HB2 LYS 32 13.448 -0.635 13.281
579 HB3 LYS 32 HB3 LYS 32 14.210 -2.073 12.616
580 HG2 LYS 32 HG2 LYS 32 14.261 -2.184 15.012
581 HG3 LYS 32 HG3 LYS 32 15.905 -1.960 14.415
582 HD2 LYS 32 HD2 LYS 32 15.718 0.453 14.899
583 HD3 LYS 32 HD3 LYS 32 14.105 0.176 15.559
584 HE2 LYS 32 HE2 LYS 32 16.707 -0.935 16.599
585 HE3 LYS 32 HE3 LYS 32 15.706 0.299 17.362
586 HZ1 LYS 32 HZ1 LYS 32 13.919 -1.405 17.502
587 HZ2 LYS 32 HZ2 LYS 32 15.286 -1.761 18.439
588 HZ3 LYS 32 HZ3 LYS 32 15.037 -2.565 16.969
589 H LEU 33 H LEU 33 15.927 -2.071 10.654
590 HA LEU 33 HA LEU 33 18.182 -3.210 11.852
591 HB2 LEU 33 HB2 LEU 33 16.687 -4.118 9.992
592 HB3 LEU 33 HB3 LEU 33 17.633 -3.150 8.887
593 HG LEU 33 HG LEU 33 18.249 -5.578 8.977
594 HD11 LEU 33 HD11 LEU 33 19.826 -3.983 8.085
595 HD12 LEU 33 HD12 LEU 33 20.677 -5.212 9.022
596 HD13 LEU 33 HD13 LEU 33 20.407 -3.608 9.708
597 HD21 LEU 33 HD21 LEU 33 19.353 -4.866 11.688
598 HD22 LEU 33 HD22 LEU 33 19.531 -6.407 10.850
599 HD23 LEU 33 HD23 LEU 33 17.940 -5.876 11.395
600 H VAL 34 H VAL 34 17.981 -0.802 9.228
601 HA VAL 34 HA VAL 34 20.800 -0.611 8.909
602 HB VAL 34 HB VAL 34 19.238 -0.023 7.102
603 HG11 VAL 34 HG11 VAL 34 18.027 2.078 7.110
604 HG12 VAL 34 HG12 VAL 34 18.597 2.417 8.746
605 HG13 VAL 34 HG13 VAL 34 17.513 1.057 8.454
606 HG21 VAL 34 HG21 VAL 34 20.366 2.034 6.350
607 HG22 VAL 34 HG22 VAL 34 21.492 0.833 6.982
608 HG23 VAL 34 HG23 VAL 34 21.049 2.230 7.964
609 H GLY 35 H GLY 35 18.540 0.940 11.035
610 HA2 GLY 35 HA2 GLY 35 20.098 3.238 11.654
611 HA3 GLY 35 HA3 GLY 35 18.784 2.585 12.627
612 H GLU 36 H GLU 36 20.115 -0.051 12.810
613 HA GLU 36 HA GLU 36 21.807 0.639 15.076
614 HB2 GLU 36 HB2 GLU 36 20.715 -2.027 14.175
615 HB3 GLU 36 HB3 GLU 36 21.606 -1.742 15.662
616 HG2 GLU 36 HG2 GLU 36 19.830 -0.245 16.431
617 HG3 GLU 36 HG3 GLU 36 18.933 -0.560 14.946
618 H ARG 37 H ARG 37 23.943 0.631 14.953
619 HA ARG 37 HA ARG 37 25.213 -1.120 12.952
620 HB2 ARG 37 HB2 ARG 37 25.689 1.257 12.547
621 HB3 ARG 37 HB3 ARG 37 26.292 1.422 14.190
622 HG2 ARG 37 HG2 ARG 37 28.054 -0.232 13.667
623 HG3 ARG 37 HG3 ARG 37 27.491 -0.251 11.996
624 HD2 ARG 37 HD2 ARG 37 28.068 2.040 11.698
625 HD3 ARG 37 HD3 ARG 37 28.376 2.247 13.421
626 HE ARG 37 HE ARG 37 30.070 0.770 11.525
627 HH11 ARG 37 HH11 ARG 37 29.588 2.337 14.616
628 HH12 ARG 37 HH12 ARG 37 31.218 2.076 15.157
629 HH21 ARG 37 HH21 ARG 37 32.237 0.438 12.223
630 HH22 ARG 37 HH22 ARG 37 32.711 0.966 13.812