Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
26048 | 2keh RC | 16149 | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 H1 ARG 1 H ARG 1 1.807 0.001 0.855
2 HA ARG 1 HA ARG 1 2.185 -1.023 -1.575
3 HB2 ARG 1 HB2 ARG 1 0.872 1.648 -1.846
4 HB3 ARG 1 HB3 ARG 1 2.086 1.176 -3.027
5 HG2 ARG 1 HG2 ARG 1 -0.334 -0.482 -2.361
6 HG3 ARG 1 HG3 ARG 1 -0.265 0.682 -3.685
7 HD2 ARG 1 HD2 ARG 1 0.948 -0.689 -4.981
8 HD3 ARG 1 HD3 ARG 1 1.972 -1.200 -3.639
9 HE ARG 1 HE ARG 1 0.625 -3.030 -3.351
10 HH11 ARG 1 HH11 ARG 1 -0.997 -0.719 -5.388
11 HH12 ARG 1 HH12 ARG 1 -2.294 -1.793 -5.796
12 HH21 ARG 1 HH21 ARG 1 -1.077 -4.453 -3.880
13 HH22 ARG 1 HH22 ARG 1 -2.339 -3.917 -4.937
14 H ARG 2 H ARG 2 2.797 1.792 0.405
15 HA ARG 2 HA ARG 2 5.413 2.272 -0.709
16 HB2 ARG 2 HB2 ARG 2 3.868 3.433 1.596
17 HB3 ARG 2 HB3 ARG 2 5.564 3.825 1.346
18 HG2 ARG 2 HG2 ARG 2 4.701 4.368 -1.096
19 HG3 ARG 2 HG3 ARG 2 3.180 4.606 -0.232
20 HD2 ARG 2 HD2 ARG 2 5.570 5.845 0.977
21 HD3 ARG 2 HD3 ARG 2 5.036 6.530 -0.557
22 HE ARG 2 HE ARG 2 3.743 6.777 1.983
23 HH11 ARG 2 HH11 ARG 2 3.227 6.713 -1.459
24 HH12 ARG 2 HH12 ARG 2 1.766 7.641 -1.389
25 HH21 ARG 2 HH21 ARG 2 1.820 7.999 2.089
26 HH22 ARG 2 HH22 ARG 2 0.967 8.373 0.629
27 H SER 3 H SER 3 6.545 0.348 -0.414
28 HA SER 3 HA SER 3 7.833 0.069 2.120
29 HB2 SER 3 HB2 SER 3 5.464 -1.407 1.801
30 HB3 SER 3 HB3 SER 3 6.774 -2.563 1.561
31 HG SER 3 HG SER 3 5.873 -1.643 3.841
32 H ARG 4 H ARG 4 7.134 -1.347 -1.037
33 HA ARG 4 HA ARG 4 9.691 -2.709 -1.127
34 HB2 ARG 4 HB2 ARG 4 7.424 -3.480 -2.164
35 HB3 ARG 4 HB3 ARG 4 7.860 -2.400 -3.482
36 HG2 ARG 4 HG2 ARG 4 8.759 -4.317 -4.282
37 HG3 ARG 4 HG3 ARG 4 10.136 -3.750 -3.335
38 HD2 ARG 4 HD2 ARG 4 9.673 -5.236 -1.574
39 HD3 ARG 4 HD3 ARG 4 8.045 -5.561 -2.169
40 HE ARG 4 HE ARG 4 10.433 -6.902 -2.928
41 HH11 ARG 4 HH11 ARG 4 7.354 -5.815 -4.135
42 HH12 ARG 4 HH12 ARG 4 7.262 -7.029 -5.368
43 HH21 ARG 4 HH21 ARG 4 10.324 -8.504 -4.548
44 HH22 ARG 4 HH22 ARG 4 8.952 -8.558 -5.602
45 H LYS 5 H LYS 5 10.338 -0.184 -0.741
46 HA LYS 5 HA LYS 5 11.940 0.488 -2.947
47 HB2 LYS 5 HB2 LYS 5 9.940 1.252 -4.033
48 HB3 LYS 5 HB3 LYS 5 9.436 2.140 -2.600
49 HG2 LYS 5 HG2 LYS 5 10.723 3.911 -3.087
50 HG3 LYS 5 HG3 LYS 5 12.055 2.914 -3.676
51 HD2 LYS 5 HD2 LYS 5 11.349 3.020 -5.812
52 HD3 LYS 5 HD3 LYS 5 9.649 2.871 -5.360
53 HE2 LYS 5 HE2 LYS 5 11.089 5.403 -4.734
54 HE3 LYS 5 HE3 LYS 5 10.597 5.097 -6.399
55 HZ1 LYS 5 HZ1 LYS 5 8.778 5.061 -4.051
56 HZ2 LYS 5 HZ2 LYS 5 8.326 4.846 -5.667
57 HZ3 LYS 5 HZ3 LYS 5 8.924 6.341 -5.148
58 H ASN 6 H ASN 6 10.211 1.777 -0.138
59 HA ASN 6 HA ASN 6 11.964 3.852 0.504
60 HB2 ASN 6 HB2 ASN 6 9.782 2.438 1.796
61 HB3 ASN 6 HB3 ASN 6 11.038 2.878 2.951
62 HD21 ASN 6 HD21 ASN 6 11.668 5.115 3.064
63 HD22 ASN 6 HD22 ASN 6 10.518 6.347 2.682
64 H GLY 7 H GLY 7 12.163 0.411 1.106
65 HA2 GLY 7 HA2 GLY 7 13.906 -0.893 1.839
66 HA3 GLY 7 HA3 GLY 7 14.950 0.495 1.568
67 H ILE 8 H ILE 8 13.300 -1.415 3.886
68 HA ILE 8 HA ILE 8 13.292 0.343 6.082
69 HB ILE 8 HB ILE 8 13.625 -2.654 6.206
70 HG12 ILE 8 HG12 ILE 8 10.938 -1.936 6.648
71 HG13 ILE 8 HG13 ILE 8 11.438 -1.062 5.205
72 HG21 ILE 8 HG21 ILE 8 12.492 -2.424 8.370
73 HG22 ILE 8 HG22 ILE 8 14.006 -1.523 8.321
74 HG23 ILE 8 HG23 ILE 8 12.469 -0.673 8.163
75 HD11 ILE 8 HD11 ILE 8 10.626 -3.727 5.399
76 HD12 ILE 8 HD12 ILE 8 11.284 -2.899 3.987
77 HD13 ILE 8 HD13 ILE 8 12.360 -3.771 5.078
78 H GLY 9 H GLY 9 15.753 -1.859 4.828
79 HA2 GLY 9 HA2 GLY 9 17.767 -0.414 6.368
80 HA3 GLY 9 HA3 GLY 9 17.620 -2.135 6.689
81 H TYR 10 H TYR 10 16.963 -1.073 3.485
82 HA TYR 10 HA TYR 10 19.137 -2.626 2.453
83 HB2 TYR 10 HB2 TYR 10 17.001 -0.925 1.184
84 HB3 TYR 10 HB3 TYR 10 18.291 -1.647 0.229
85 HD1 TYR 10 HD2 TYR 10 15.654 -2.572 2.702
86 HD2 TYR 10 HD1 TYR 10 18.001 -3.779 -0.635
87 HE1 TYR 10 HE2 TYR 10 14.371 -4.666 2.565
88 HE2 TYR 10 HE1 TYR 10 16.724 -5.876 -0.783
89 HH TYR 10 HH TYR 10 14.028 -6.544 1.431
90 H ALA 11 H ALA 11 18.273 0.817 2.079
91 HA ALA 11 HA ALA 11 20.813 1.528 1.010
92 HB1 ALA 11 HB1 ALA 11 18.465 2.714 0.864
93 HB2 ALA 11 HB2 ALA 11 19.067 3.573 2.282
94 HB3 ALA 11 HB3 ALA 11 19.965 3.636 0.765
95 H ILE 12 H ILE 12 19.289 2.108 4.179
96 HA ILE 12 HA ILE 12 21.368 3.457 5.410
97 HB ILE 12 HB ILE 12 19.471 1.484 6.689
98 HG12 ILE 12 HG12 ILE 12 18.895 4.260 7.185
99 HG13 ILE 12 HG13 ILE 12 18.983 3.974 5.450
100 HG21 ILE 12 HG21 ILE 12 19.918 2.857 8.743
101 HG22 ILE 12 HG22 ILE 12 21.271 1.871 8.193
102 HG23 ILE 12 HG23 ILE 12 21.254 3.604 7.868
103 HD11 ILE 12 HD11 ILE 12 17.381 2.079 5.783
104 HD12 ILE 12 HD12 ILE 12 17.183 2.636 7.445
105 HD13 ILE 12 HD13 ILE 12 16.730 3.686 6.103
106 H GLY 13 H GLY 13 20.761 -0.057 5.393
107 HA2 GLY 13 HA2 GLY 13 23.050 -0.763 6.878
108 HA3 GLY 13 HA3 GLY 13 22.152 -1.834 5.812
109 H TYR 14 H TYR 14 22.584 -0.156 3.457
110 HA TYR 14 HA TYR 14 24.872 -1.364 2.433
111 HB2 TYR 14 HB2 TYR 14 22.934 -0.248 1.176
112 HB3 TYR 14 HB3 TYR 14 23.804 1.264 1.415
113 HD1 TYR 14 HD2 TYR 14 26.026 1.589 0.360
114 HD2 TYR 14 HD1 TYR 14 23.645 -1.841 -0.453
115 HE1 TYR 14 HE2 TYR 14 27.380 1.131 -1.641
116 HE2 TYR 14 HE1 TYR 14 24.993 -2.310 -2.456
117 HH TYR 14 HH TYR 14 26.667 -1.641 -3.747
118 H ALA 15 H ALA 15 24.448 2.000 3.528
119 HA ALA 15 HA ALA 15 27.169 2.716 3.173
120 HB1 ALA 15 HB1 ALA 15 26.508 4.638 4.734
121 HB2 ALA 15 HB2 ALA 15 25.670 4.506 3.187
122 HB3 ALA 15 HB3 ALA 15 24.883 3.956 4.667
123 H PHE 16 H PHE 16 25.362 1.312 5.820
124 HA PHE 16 HA PHE 16 27.206 1.780 7.890
125 HB2 PHE 16 HB2 PHE 16 24.785 0.264 7.514
126 HB3 PHE 16 HB3 PHE 16 25.960 -0.694 8.408
127 HD1 PHE 16 HD2 PHE 16 27.231 0.751 10.293
128 HD2 PHE 16 HD1 PHE 16 23.340 1.529 8.752
129 HE1 PHE 16 HE2 PHE 16 26.665 1.977 12.350
130 HE2 PHE 16 HE1 PHE 16 22.769 2.757 10.806
131 HZ PHE 16 HZ PHE 16 24.432 2.981 12.609
132 H GLY 17 H GLY 17 26.872 -0.906 5.602
133 HA2 GLY 17 HA2 GLY 17 28.853 -2.575 6.677
134 HA3 GLY 17 HA3 GLY 17 28.323 -2.579 5.002
135 H ALA 18 H ALA 18 29.097 0.211 4.566
136 HA ALA 18 HA ALA 18 31.823 -0.264 3.825
137 HB1 ALA 18 HB1 ALA 18 30.353 1.023 2.381
138 HB2 ALA 18 HB2 ALA 18 30.161 2.246 3.638
139 HB3 ALA 18 HB3 ALA 18 31.735 1.997 2.881
140 H VAL 19 H VAL 19 30.190 1.802 6.195
141 HA VAL 19 HA VAL 19 32.348 3.266 7.123
142 HB VAL 19 HB VAL 19 29.993 2.209 8.692
143 HG11 VAL 19 HG11 VAL 19 30.634 4.369 10.063
144 HG12 VAL 19 HG12 VAL 19 31.385 2.810 10.407
145 HG13 VAL 19 HG13 VAL 19 32.243 4.009 9.437
146 HG21 VAL 19 HG21 VAL 19 28.823 3.709 7.545
147 HG22 VAL 19 HG22 VAL 19 29.816 4.979 8.259
148 HG23 VAL 19 HG23 VAL 19 30.275 4.266 6.713
149 H GLU 20 H GLU 20 31.536 -0.072 7.676
150 HA GLU 20 HA GLU 20 33.272 -0.430 9.926
151 HB2 GLU 20 HB2 GLU 20 32.389 -2.678 8.150
152 HB3 GLU 20 HB3 GLU 20 32.636 -2.672 9.890
153 HG2 GLU 20 HG2 GLU 20 30.633 -0.906 9.730
154 HG3 GLU 20 HG3 GLU 20 30.279 -1.883 8.306
155 H ARG 21 H ARG 21 33.474 -1.170 6.462
156 HA ARG 21 HA ARG 21 35.959 -2.444 6.478
157 HB2 ARG 21 HB2 ARG 21 34.222 -1.180 4.472
158 HB3 ARG 21 HB3 ARG 21 35.931 -1.171 4.055
159 HG2 ARG 21 HG2 ARG 21 35.817 -3.287 3.429
160 HG3 ARG 21 HG3 ARG 21 35.242 -3.757 5.030
161 HD2 ARG 21 HD2 ARG 21 33.055 -3.765 4.393
162 HD3 ARG 21 HD3 ARG 21 33.287 -2.494 3.194
163 HE ARG 21 HE ARG 21 34.643 -4.751 2.295
164 HH11 ARG 21 HH11 ARG 21 31.372 -3.759 2.957
165 HH12 ARG 21 HH12 ARG 21 30.674 -4.809 1.768
166 HH21 ARG 21 HH21 ARG 21 33.736 -6.138 0.727
167 HH22 ARG 21 HH22 ARG 21 32.020 -6.162 0.501
168 H ALA 22 H ALA 22 35.120 0.928 6.652
169 HA ALA 22 HA ALA 22 37.564 2.066 5.873
170 HB1 ALA 22 HB1 ALA 22 35.862 3.303 7.999
171 HB2 ALA 22 HB2 ALA 22 36.745 4.074 6.680
172 HB3 ALA 22 HB3 ALA 22 35.267 3.173 6.344
173 H VAL 23 H VAL 23 36.358 1.192 9.107
174 HA VAL 23 HA VAL 23 38.870 1.848 10.358
175 HB VAL 23 HB VAL 23 36.708 0.231 11.671
176 HG11 VAL 23 HG11 VAL 23 37.682 0.829 13.617
177 HG12 VAL 23 HG12 VAL 23 39.098 1.065 12.591
178 HG13 VAL 23 HG13 VAL 23 38.094 2.444 13.040
179 HG21 VAL 23 HG21 VAL 23 35.793 2.522 12.381
180 HG22 VAL 23 HG22 VAL 23 36.659 3.150 10.979
181 HG23 VAL 23 HG23 VAL 23 35.396 1.939 10.765
182 H LEU 24 H LEU 24 37.345 -0.980 9.043
183 HA LEU 24 HA LEU 24 38.690 -3.019 10.359
184 HB2 LEU 24 HB2 LEU 24 36.906 -2.884 8.315
185 HB3 LEU 24 HB3 LEU 24 38.360 -3.398 7.463
186 HG LEU 24 HG LEU 24 38.385 -5.168 9.479
187 HD11 LEU 24 HD11 LEU 24 35.979 -5.959 9.676
188 HD12 LEU 24 HD12 LEU 24 35.518 -4.358 9.102
189 HD13 LEU 24 HD13 LEU 24 36.425 -4.527 10.604
190 HD21 LEU 24 HD21 LEU 24 36.533 -5.819 7.257
191 HD22 LEU 24 HD22 LEU 24 37.921 -6.714 7.878
192 HD23 LEU 24 HD23 LEU 24 38.169 -5.314 6.833
193 H GLY 25 H GLY 25 39.664 -1.254 7.424
194 HA2 GLY 25 HA2 GLY 25 42.187 -2.626 7.260
195 HA3 GLY 25 HA3 GLY 25 41.676 -1.259 6.281
196 H GLY 26 H GLY 26 41.468 0.848 7.670
197 HA2 GLY 26 HA2 GLY 26 43.970 1.047 9.226
198 HA3 GLY 26 HA3 GLY 26 43.294 2.350 8.260
199 H SER 27 H SER 27 43.502 0.983 11.337
200 HA SER 27 HA SER 27 41.116 1.619 12.570
201 HB2 SER 27 HB2 SER 27 43.564 2.263 14.111
202 HB3 SER 27 HB3 SER 27 42.209 1.216 14.531
203 HG SER 27 HG SER 27 43.772 -0.211 14.157
204 H ARG 28 H ARG 28 40.044 3.448 12.872
205 HA ARG 28 HA ARG 28 41.222 5.973 12.155
206 HB2 ARG 28 HB2 ARG 28 38.487 5.169 13.134
207 HB3 ARG 28 HB3 ARG 28 38.931 6.847 12.850
208 HG2 ARG 28 HG2 ARG 28 39.516 5.040 10.620
209 HG3 ARG 28 HG3 ARG 28 37.803 5.206 11.011
210 HD2 ARG 28 HD2 ARG 28 38.111 6.930 9.511
211 HD3 ARG 28 HD3 ARG 28 38.340 7.752 11.054
212 HE ARG 28 HE ARG 28 40.846 6.940 10.308
213 HH11 ARG 28 HH11 ARG 28 38.341 8.897 8.887
214 HH12 ARG 28 HH12 ARG 28 39.444 9.903 8.008
215 HH21 ARG 28 HH21 ARG 28 42.309 8.258 9.156
216 HH22 ARG 28 HH22 ARG 28 41.701 9.538 8.161
217 H ASP 29 H ASP 29 42.875 6.123 13.764
218 HA ASP 29 HA ASP 29 42.225 7.733 15.948
219 HB2 ASP 29 HB2 ASP 29 41.787 4.978 16.474
220 HB3 ASP 29 HB3 ASP 29 43.226 5.459 17.370
221 H TYR 30 H TYR 30 44.049 8.550 16.985
222 HA TYR 30 HA TYR 30 46.616 7.427 16.906
223 HB2 TYR 30 HB2 TYR 30 45.910 8.330 14.405
224 HB3 TYR 30 HB3 TYR 30 46.783 9.707 15.069
225 HD1 TYR 30 HD1 TYR 30 47.234 5.993 15.220
226 HD2 TYR 30 HD2 TYR 30 48.963 9.780 14.340
227 HE1 TYR 30 HE1 TYR 30 49.367 4.889 14.690
228 HE2 TYR 30 HE2 TYR 30 51.100 8.686 13.807
229 HH TYR 30 HH TYR 30 51.973 5.806 14.732
230 H ASN 31 H ASN 31 47.377 8.260 18.725
231 HA ASN 31 HA ASN 31 47.982 10.962 19.082
232 HB2 ASN 31 HB2 ASN 31 45.264 10.429 19.589
233 HB3 ASN 31 HB3 ASN 31 46.023 10.603 21.168
234 HD21 ASN 31 HD21 ASN 31 45.969 12.577 21.927
235 HD22 ASN 31 HD22 ASN 31 46.007 14.034 20.998
236 H LYS 32 H LYS 32 49.762 10.781 20.255
237 HA LYS 32 HA LYS 32 51.297 10.045 21.768
238 HB2 LYS 32 HB2 LYS 32 48.828 10.503 23.166
239 HB3 LYS 32 HB3 LYS 32 49.693 9.171 23.922
240 HG2 LYS 32 HG2 LYS 32 51.523 10.501 24.459
241 HG3 LYS 32 HG3 LYS 32 51.086 11.742 23.282
242 HD2 LYS 32 HD2 LYS 32 49.226 12.445 24.624
243 HD3 LYS 32 HD3 LYS 32 49.451 11.089 25.731
244 HE2 LYS 32 HE2 LYS 32 51.903 12.266 25.807
245 HE3 LYS 32 HE3 LYS 32 50.852 13.664 25.581
246 HZ1 LYS 32 HZ1 LYS 32 51.195 11.984 27.889
247 HZ2 LYS 32 HZ2 LYS 32 49.572 12.243 27.492
248 HZ3 LYS 32 HZ3 LYS 32 50.593 13.561 27.780
Start of MODEL 2
1 H1 ARG 1 H ARG 1 5.222 6.270 3.765
2 HA ARG 1 HA ARG 1 4.265 3.950 4.118
3 HB2 ARG 1 HB2 ARG 1 2.168 4.777 2.867
4 HB3 ARG 1 HB3 ARG 1 3.076 4.439 1.399
5 HG2 ARG 1 HG2 ARG 1 2.963 2.184 1.679
6 HG3 ARG 1 HG3 ARG 1 2.907 2.294 3.440
7 HD2 ARG 1 HD2 ARG 1 0.577 3.497 2.802
8 HD3 ARG 1 HD3 ARG 1 0.724 2.363 1.460
9 HE ARG 1 HE ARG 1 0.201 1.731 4.219
10 HH11 ARG 1 HH11 ARG 1 1.400 0.543 1.174
11 HH12 ARG 1 HH12 ARG 1 1.088 -1.119 1.551
12 HH21 ARG 1 HH21 ARG 1 -0.215 -0.453 4.727
13 HH22 ARG 1 HH22 ARG 1 0.168 -1.685 3.572
14 H ARG 2 H ARG 2 5.652 5.823 1.539
15 HA ARG 2 HA ARG 2 6.899 3.710 0.129
16 HB2 ARG 2 HB2 ARG 2 6.958 6.631 0.113
17 HB3 ARG 2 HB3 ARG 2 8.519 5.914 -0.263
18 HG2 ARG 2 HG2 ARG 2 7.472 6.201 -2.331
19 HG3 ARG 2 HG3 ARG 2 7.276 4.486 -1.962
20 HD2 ARG 2 HD2 ARG 2 5.188 5.277 -2.783
21 HD3 ARG 2 HD3 ARG 2 5.011 5.036 -1.046
22 HE ARG 2 HE ARG 2 5.665 7.641 -1.208
23 HH11 ARG 2 HH11 ARG 2 3.283 5.705 -2.850
24 HH12 ARG 2 HH12 ARG 2 2.167 7.016 -3.052
25 HH21 ARG 2 HH21 ARG 2 4.205 9.374 -1.467
26 HH22 ARG 2 HH22 ARG 2 2.693 9.102 -2.265
27 H SER 3 H SER 3 8.296 2.348 1.030
28 HA SER 3 HA SER 3 10.790 3.203 2.034
29 HB2 SER 3 HB2 SER 3 9.954 3.770 4.110
30 HB3 SER 3 HB3 SER 3 8.651 2.585 4.027
31 HG SER 3 HG SER 3 11.038 2.346 5.187
32 H ARG 4 H ARG 4 8.741 0.508 3.120
33 HA ARG 4 HA ARG 4 10.778 -1.381 2.306
34 HB2 ARG 4 HB2 ARG 4 8.155 -1.644 3.763
35 HB3 ARG 4 HB3 ARG 4 9.079 -3.050 3.253
36 HG2 ARG 4 HG2 ARG 4 10.855 -1.308 4.600
37 HG3 ARG 4 HG3 ARG 4 9.396 -1.458 5.581
38 HD2 ARG 4 HD2 ARG 4 10.767 -3.858 4.411
39 HD3 ARG 4 HD3 ARG 4 11.274 -3.163 5.950
40 HE ARG 4 HE ARG 4 8.988 -4.788 5.485
41 HH11 ARG 4 HH11 ARG 4 10.161 -2.122 7.391
42 HH12 ARG 4 HH12 ARG 4 9.080 -2.421 8.712
43 HH21 ARG 4 HH21 ARG 4 7.559 -5.192 7.217
44 HH22 ARG 4 HH22 ARG 4 7.601 -4.168 8.612
45 H LYS 5 H LYS 5 10.079 -0.292 0.033
46 HA LYS 5 HA LYS 5 8.935 -2.445 -1.451
47 HB2 LYS 5 HB2 LYS 5 7.071 -0.673 -0.472
48 HB3 LYS 5 HB3 LYS 5 7.393 -0.032 -2.078
49 HG2 LYS 5 HG2 LYS 5 6.707 -2.032 -3.122
50 HG3 LYS 5 HG3 LYS 5 6.719 -2.919 -1.596
51 HD2 LYS 5 HD2 LYS 5 4.656 -2.228 -1.054
52 HD3 LYS 5 HD3 LYS 5 4.980 -0.571 -1.568
53 HE2 LYS 5 HE2 LYS 5 3.342 -1.239 -3.058
54 HE3 LYS 5 HE3 LYS 5 4.823 -1.552 -3.963
55 HZ1 LYS 5 HZ1 LYS 5 3.130 -3.372 -4.010
56 HZ2 LYS 5 HZ2 LYS 5 3.433 -3.627 -2.366
57 HZ3 LYS 5 HZ3 LYS 5 4.670 -3.851 -3.498
58 H ASN 6 H ASN 6 11.386 -0.918 -1.371
59 HA ASN 6 HA ASN 6 11.876 -0.625 -4.106
60 HB2 ASN 6 HB2 ASN 6 10.550 1.616 -3.041
61 HB3 ASN 6 HB3 ASN 6 12.235 2.098 -3.218
62 HD21 ASN 6 HD21 ASN 6 13.217 1.863 -5.310
63 HD22 ASN 6 HD22 ASN 6 12.241 1.969 -6.732
64 H GLY 7 H GLY 7 12.721 0.317 -0.828
65 HA2 GLY 7 HA2 GLY 7 15.491 -0.421 -1.372
66 HA3 GLY 7 HA3 GLY 7 15.213 1.228 -0.834
67 H ILE 8 H ILE 8 14.091 -2.027 0.103
68 HA ILE 8 HA ILE 8 13.639 -1.467 2.785
69 HB ILE 8 HB ILE 8 14.602 -4.111 1.693
70 HG12 ILE 8 HG12 ILE 8 11.795 -4.095 2.024
71 HG13 ILE 8 HG13 ILE 8 12.201 -2.629 1.139
72 HG21 ILE 8 HG21 ILE 8 14.624 -4.393 3.971
73 HG22 ILE 8 HG22 ILE 8 13.320 -3.237 4.235
74 HG23 ILE 8 HG23 ILE 8 12.959 -4.842 3.600
75 HD11 ILE 8 HD11 ILE 8 12.312 -5.433 0.303
76 HD12 ILE 8 HD12 ILE 8 12.059 -3.968 -0.646
77 HD13 ILE 8 HD13 ILE 8 13.692 -4.451 -0.187
78 H GLY 9 H GLY 9 16.590 -2.663 1.211
79 HA2 GLY 9 HA2 GLY 9 18.110 -1.704 3.537
80 HA3 GLY 9 HA3 GLY 9 18.351 -3.355 2.986
81 H TYR 10 H TYR 10 17.685 -0.970 0.597
82 HA TYR 10 HA TYR 10 20.211 -1.423 -0.666
83 HB2 TYR 10 HB2 TYR 10 17.842 0.322 -1.292
84 HB3 TYR 10 HB3 TYR 10 19.324 0.425 -2.235
85 HD1 TYR 10 HD1 TYR 10 16.852 -2.099 -1.023
86 HD2 TYR 10 HD2 TYR 10 19.564 -0.941 -4.090
87 HE1 TYR 10 HE1 TYR 10 16.103 -3.998 -2.394
88 HE2 TYR 10 HE2 TYR 10 18.822 -2.836 -5.470
89 HH TYR 10 HH TYR 10 17.714 -4.866 -5.366
90 H ALA 11 H ALA 11 18.656 1.580 0.479
91 HA ALA 11 HA ALA 11 21.056 3.095 0.351
92 HB1 ALA 11 HB1 ALA 11 18.279 3.553 1.097
93 HB2 ALA 11 HB2 ALA 11 19.421 4.473 2.077
94 HB3 ALA 11 HB3 ALA 11 19.438 4.633 0.321
95 H ILE 12 H ILE 12 19.213 1.750 3.086
96 HA ILE 12 HA ILE 12 20.848 2.603 5.154
97 HB ILE 12 HB ILE 12 19.330 -0.003 4.986
98 HG12 ILE 12 HG12 ILE 12 18.167 2.082 6.627
99 HG13 ILE 12 HG13 ILE 12 18.386 2.634 4.970
100 HG21 ILE 12 HG21 ILE 12 20.632 -0.357 6.830
101 HG22 ILE 12 HG22 ILE 12 20.791 1.362 7.185
102 HG23 ILE 12 HG23 ILE 12 19.292 0.517 7.573
103 HD11 ILE 12 HD11 ILE 12 17.201 0.537 4.243
104 HD12 ILE 12 HD12 ILE 12 16.794 0.284 5.941
105 HD13 ILE 12 HD13 ILE 12 16.219 1.724 5.101
106 H GLY 13 H GLY 13 21.010 -0.484 3.374
107 HA2 GLY 13 HA2 GLY 13 23.288 -1.472 4.709
108 HA3 GLY 13 HA3 GLY 13 22.714 -2.004 3.135
109 H TYR 14 H TYR 14 22.940 0.709 2.000
110 HA TYR 14 HA TYR 14 25.482 0.514 0.879
111 HB2 TYR 14 HB2 TYR 14 23.448 1.834 0.045
112 HB3 TYR 14 HB3 TYR 14 23.984 3.117 1.123
113 HD1 TYR 14 HD2 TYR 14 26.161 4.238 0.722
114 HD2 TYR 14 HD1 TYR 14 24.562 1.406 -2.023
115 HE1 TYR 14 HE2 TYR 14 27.705 5.053 -1.010
116 HE2 TYR 14 HE1 TYR 14 26.102 2.214 -3.762
117 HH TYR 14 HH TYR 14 28.749 3.829 -3.268
118 H ALA 15 H ALA 15 24.333 2.757 3.397
119 HA ALA 15 HA ALA 15 26.876 3.922 3.865
120 HB1 ALA 15 HB1 ALA 15 24.296 3.901 5.394
121 HB2 ALA 15 HB2 ALA 15 25.746 4.669 6.042
122 HB3 ALA 15 HB3 ALA 15 25.057 5.230 4.519
123 H PHE 16 H PHE 16 25.088 1.295 5.420
124 HA PHE 16 HA PHE 16 26.692 0.851 7.628
125 HB2 PHE 16 HB2 PHE 16 24.662 -0.588 6.192
126 HB3 PHE 16 HB3 PHE 16 25.947 -1.697 6.657
127 HD1 PHE 16 HD2 PHE 16 26.797 -1.270 9.178
128 HD2 PHE 16 HD1 PHE 16 22.926 -0.360 7.659
129 HE1 PHE 16 HE2 PHE 16 25.881 -1.374 11.459
130 HE2 PHE 16 HE1 PHE 16 22.004 -0.461 9.938
131 HZ PHE 16 HZ PHE 16 23.481 -0.969 11.842
132 H GLY 17 H GLY 17 27.015 -0.585 4.382
133 HA2 GLY 17 HA2 GLY 17 29.254 -2.161 4.851
134 HA3 GLY 17 HA3 GLY 17 28.840 -1.455 3.296
135 H ALA 18 H ALA 18 29.056 1.288 4.207
136 HA ALA 18 HA ALA 18 31.873 1.623 3.813
137 HB1 ALA 18 HB1 ALA 18 30.562 4.047 4.626
138 HB2 ALA 18 HB2 ALA 18 31.255 3.619 3.062
139 HB3 ALA 18 HB3 ALA 18 29.586 3.190 3.433
140 H VAL 19 H VAL 19 29.637 2.143 6.512
141 HA VAL 19 HA VAL 19 31.343 3.362 8.319
142 HB VAL 19 HB VAL 19 29.144 1.367 8.877
143 HG11 VAL 19 HG11 VAL 19 30.874 2.987 10.679
144 HG12 VAL 19 HG12 VAL 19 29.180 2.750 11.114
145 HG13 VAL 19 HG13 VAL 19 30.238 1.356 10.891
146 HG21 VAL 19 HG21 VAL 19 27.855 3.036 8.141
147 HG22 VAL 19 HG22 VAL 19 28.293 3.877 9.628
148 HG23 VAL 19 HG23 VAL 19 29.195 4.184 8.144
149 H GLU 20 H GLU 20 31.183 0.023 7.320
150 HA GLU 20 HA GLU 20 32.792 -0.992 9.463
151 HB2 GLU 20 HB2 GLU 20 32.501 -2.376 6.820
152 HB3 GLU 20 HB3 GLU 20 32.618 -3.073 8.429
153 HG2 GLU 20 HG2 GLU 20 30.316 -1.695 8.670
154 HG3 GLU 20 HG3 GLU 20 30.272 -2.096 6.954
155 H ARG 21 H ARG 21 33.383 -0.156 6.065
156 HA ARG 21 HA ARG 21 36.066 -0.923 5.939
157 HB2 ARG 21 HB2 ARG 21 34.303 0.895 4.397
158 HB3 ARG 21 HB3 ARG 21 36.034 1.141 4.212
159 HG2 ARG 21 HG2 ARG 21 36.020 -1.469 3.847
160 HG3 ARG 21 HG3 ARG 21 34.343 -1.158 3.394
161 HD2 ARG 21 HD2 ARG 21 34.920 -0.002 1.523
162 HD3 ARG 21 HD3 ARG 21 36.403 0.627 2.239
163 HE ARG 21 HE ARG 21 36.132 -1.729 0.659
164 HH11 ARG 21 HH11 ARG 21 37.928 -0.309 3.281
165 HH12 ARG 21 HH12 ARG 21 39.340 -1.276 3.010
166 HH21 ARG 21 HH21 ARG 21 37.984 -3.009 0.292
167 HH22 ARG 21 HH22 ARG 21 39.371 -2.811 1.309
168 H ALA 22 H ALA 22 34.557 1.993 7.169
169 HA ALA 22 HA ALA 22 36.783 3.664 7.329
170 HB1 ALA 22 HB1 ALA 22 34.687 4.644 7.722
171 HB2 ALA 22 HB2 ALA 22 34.285 3.481 8.985
172 HB3 ALA 22 HB3 ALA 22 35.517 4.708 9.277
173 H VAL 23 H VAL 23 35.515 1.362 9.727
174 HA VAL 23 HA VAL 23 37.723 1.830 11.524
175 HB VAL 23 HB VAL 23 35.827 -0.486 11.752
176 HG11 VAL 23 HG11 VAL 23 36.138 0.507 14.229
177 HG12 VAL 23 HG12 VAL 23 37.217 -0.698 13.523
178 HG13 VAL 23 HG13 VAL 23 37.668 1.007 13.511
179 HG21 VAL 23 HG21 VAL 23 35.256 2.407 12.357
180 HG22 VAL 23 HG22 VAL 23 34.339 1.313 11.321
181 HG23 VAL 23 HG23 VAL 23 34.347 1.074 13.069
182 H LEU 24 H LEU 24 36.908 -0.422 9.006
183 HA LEU 24 HA LEU 24 38.487 -2.603 9.611
184 HB2 LEU 24 HB2 LEU 24 36.956 -1.879 7.506
185 HB3 LEU 24 HB3 LEU 24 38.562 -1.726 6.799
186 HG LEU 24 HG LEU 24 38.947 -4.124 7.618
187 HD11 LEU 24 HD11 LEU 24 37.012 -5.486 7.974
188 HD12 LEU 24 HD12 LEU 24 35.935 -4.122 7.676
189 HD13 LEU 24 HD13 LEU 24 36.959 -4.139 9.112
190 HD21 LEU 24 HD21 LEU 24 38.085 -3.087 5.249
191 HD22 LEU 24 HD22 LEU 24 36.845 -4.294 5.586
192 HD23 LEU 24 HD23 LEU 24 38.542 -4.770 5.510
193 H GLY 25 H GLY 25 39.425 0.488 8.189
194 HA2 GLY 25 HA2 GLY 25 42.242 -0.289 8.609
195 HA3 GLY 25 HA3 GLY 25 41.738 0.534 7.140
196 H GLY 26 H GLY 26 40.154 1.448 10.052
197 HA2 GLY 26 HA2 GLY 26 41.664 3.981 10.014
198 HA3 GLY 26 HA3 GLY 26 40.003 3.806 10.563
199 H SER 27 H SER 27 40.689 1.319 12.041
200 HA SER 27 HA SER 27 41.047 2.366 14.572
201 HB2 SER 27 HB2 SER 27 40.663 -0.176 13.487
202 HB3 SER 27 HB3 SER 27 42.180 -0.304 14.378
203 HG SER 27 HG SER 27 39.601 0.259 15.311
204 H ARG 28 H ARG 28 42.908 1.751 16.080
205 HA ARG 28 HA ARG 28 45.059 2.092 16.735
206 HB2 ARG 28 HB2 ARG 28 45.223 0.187 14.873
207 HB3 ARG 28 HB3 ARG 28 46.133 1.439 14.038
208 HG2 ARG 28 HG2 ARG 28 47.336 1.571 16.414
209 HG3 ARG 28 HG3 ARG 28 46.816 -0.115 16.455
210 HD2 ARG 28 HD2 ARG 28 48.730 -0.500 15.345
211 HD3 ARG 28 HD3 ARG 28 47.824 0.065 13.942
212 HE ARG 28 HE ARG 28 48.962 2.284 15.209
213 HH11 ARG 28 HH11 ARG 28 49.940 -0.549 13.438
214 HH12 ARG 28 HH12 ARG 28 51.378 0.182 12.806
215 HH21 ARG 28 HH21 ARG 28 50.852 3.258 14.384
216 HH22 ARG 28 HH22 ARG 28 51.896 2.348 13.346
217 H ASP 29 H ASP 29 45.016 4.296 17.013
218 HA ASP 29 HA ASP 29 46.769 5.860 15.509
219 HB2 ASP 29 HB2 ASP 29 45.243 5.958 13.709
220 HB3 ASP 29 HB3 ASP 29 43.862 6.159 14.783
221 H TYR 30 H TYR 30 47.092 7.920 16.404
222 HA TYR 30 HA TYR 30 46.218 8.166 19.124
223 HB2 TYR 30 HB2 TYR 30 47.952 9.887 17.354
224 HB3 TYR 30 HB3 TYR 30 47.566 10.321 19.016
225 HD1 TYR 30 HD2 TYR 30 48.938 7.455 17.050
226 HD2 TYR 30 HD1 TYR 30 49.010 9.653 20.692
227 HE1 TYR 30 HE2 TYR 30 50.811 6.071 17.840
228 HE2 TYR 30 HE1 TYR 30 50.885 8.276 21.492
229 HH TYR 30 HH TYR 30 51.735 5.818 20.931
230 H ASN 31 H ASN 31 43.888 8.259 18.407
231 HA ASN 31 HA ASN 31 42.851 10.816 18.828
232 HB2 ASN 31 HB2 ASN 31 43.671 10.471 16.166
233 HB3 ASN 31 HB3 ASN 31 41.918 10.301 16.140
234 HD21 ASN 31 HD21 ASN 31 43.758 12.424 15.162
235 HD22 ASN 31 HD22 ASN 31 43.163 13.886 15.866
236 H LYS 32 H LYS 32 41.050 10.346 19.882
237 HA LYS 32 HA LYS 32 39.114 9.344 20.531
238 HB2 LYS 32 HB2 LYS 32 38.960 8.525 17.623
239 HB3 LYS 32 HB3 LYS 32 37.627 8.496 18.770
240 HG2 LYS 32 HG2 LYS 32 37.167 10.629 18.393
241 HG3 LYS 32 HG3 LYS 32 38.840 11.104 18.697
242 HD2 LYS 32 HD2 LYS 32 38.558 11.758 16.501
243 HD3 LYS 32 HD3 LYS 32 39.252 10.147 16.306
244 HE2 LYS 32 HE2 LYS 32 37.501 9.684 15.008
245 HE3 LYS 32 HE3 LYS 32 36.530 9.683 16.479
246 HZ1 LYS 32 HZ1 LYS 32 35.560 11.129 14.829
247 HZ2 LYS 32 HZ2 LYS 32 36.997 12.011 14.694
248 HZ3 LYS 32 HZ3 LYS 32 36.111 12.053 16.135
Start of MODEL 3
1 H1 ARG 1 H ARG 1 4.695 -0.817 -1.415
2 HA ARG 1 HA ARG 1 6.162 1.190 -2.998
3 HB2 ARG 1 HB2 ARG 1 4.137 1.867 -1.477
4 HB3 ARG 1 HB3 ARG 1 5.305 1.693 -0.174
5 HG2 ARG 1 HG2 ARG 1 5.860 3.805 -0.565
6 HG3 ARG 1 HG3 ARG 1 6.643 3.225 -2.036
7 HD2 ARG 1 HD2 ARG 1 3.718 3.805 -2.072
8 HD3 ARG 1 HD3 ARG 1 4.860 5.147 -2.129
9 HE ARG 1 HE ARG 1 4.236 3.343 -4.243
10 HH11 ARG 1 HH11 ARG 1 6.799 5.259 -2.872
11 HH12 ARG 1 HH12 ARG 1 7.650 5.430 -4.371
12 HH21 ARG 1 HH21 ARG 1 5.348 3.561 -6.223
13 HH22 ARG 1 HH22 ARG 1 6.823 4.464 -6.277
14 H ARG 2 H ARG 2 8.265 0.757 -2.960
15 HA ARG 2 HA ARG 2 9.585 0.345 -0.403
16 HB2 ARG 2 HB2 ARG 2 10.882 -1.597 -1.304
17 HB3 ARG 2 HB3 ARG 2 9.179 -1.933 -1.027
18 HG2 ARG 2 HG2 ARG 2 8.756 -1.595 -3.436
19 HG3 ARG 2 HG3 ARG 2 10.490 -1.371 -3.677
20 HD2 ARG 2 HD2 ARG 2 9.887 -3.787 -2.186
21 HD3 ARG 2 HD3 ARG 2 9.105 -3.767 -3.766
22 HE ARG 2 HE ARG 2 11.900 -4.057 -3.232
23 HH11 ARG 2 HH11 ARG 2 9.570 -2.906 -5.549
24 HH12 ARG 2 HH12 ARG 2 10.633 -3.090 -6.904
25 HH21 ARG 2 HH21 ARG 2 13.309 -4.304 -5.009
26 HH22 ARG 2 HH22 ARG 2 12.759 -3.887 -6.596
27 H SER 3 H SER 3 11.320 1.602 -0.325
28 HA SER 3 HA SER 3 13.292 1.796 -2.296
29 HB2 SER 3 HB2 SER 3 11.015 3.361 -2.908
30 HB3 SER 3 HB3 SER 3 12.273 4.482 -2.386
31 HG SER 3 HG SER 3 13.322 4.097 -4.163
32 H ARG 4 H ARG 4 11.605 3.349 0.362
33 HA ARG 4 HA ARG 4 14.129 3.790 1.713
34 HB2 ARG 4 HB2 ARG 4 13.164 5.876 0.231
35 HB3 ARG 4 HB3 ARG 4 12.442 6.197 1.802
36 HG2 ARG 4 HG2 ARG 4 15.261 5.504 1.978
37 HG3 ARG 4 HG3 ARG 4 14.958 6.937 0.994
38 HD2 ARG 4 HD2 ARG 4 13.532 7.793 2.887
39 HD3 ARG 4 HD3 ARG 4 14.151 6.455 3.854
40 HE ARG 4 HE ARG 4 16.232 8.021 2.667
41 HH11 ARG 4 HH11 ARG 4 14.018 7.817 5.346
42 HH12 ARG 4 HH12 ARG 4 15.005 8.772 6.403
43 HH21 ARG 4 HH21 ARG 4 17.539 9.280 4.049
44 HH22 ARG 4 HH22 ARG 4 17.007 9.604 5.663
45 H LYS 5 H LYS 5 11.866 2.092 2.162
46 HA LYS 5 HA LYS 5 11.322 2.817 4.904
47 HB2 LYS 5 HB2 LYS 5 9.499 3.739 3.142
48 HB3 LYS 5 HB3 LYS 5 8.852 2.127 3.420
49 HG2 LYS 5 HG2 LYS 5 8.741 2.557 5.805
50 HG3 LYS 5 HG3 LYS 5 9.455 4.154 5.566
51 HD2 LYS 5 HD2 LYS 5 7.492 5.045 4.980
52 HD3 LYS 5 HD3 LYS 5 7.131 3.716 3.876
53 HE2 LYS 5 HE2 LYS 5 5.883 2.623 5.401
54 HE3 LYS 5 HE3 LYS 5 6.954 3.050 6.734
55 HZ1 LYS 5 HZ1 LYS 5 4.796 4.689 5.540
56 HZ2 LYS 5 HZ2 LYS 5 5.975 5.347 6.558
57 HZ3 LYS 5 HZ3 LYS 5 4.932 4.148 7.137
58 H ASN 6 H ASN 6 10.625 0.602 2.227
59 HA ASN 6 HA ASN 6 9.758 -1.605 3.653
60 HB2 ASN 6 HB2 ASN 6 10.710 -1.069 0.995
61 HB3 ASN 6 HB3 ASN 6 11.394 -2.588 1.566
62 HD21 ASN 6 HD21 ASN 6 10.249 -4.179 0.742
63 HD22 ASN 6 HD22 ASN 6 8.524 -4.276 0.704
64 H GLY 7 H GLY 7 12.986 -0.333 3.274
65 HA2 GLY 7 HA2 GLY 7 14.074 -2.655 4.727
66 HA3 GLY 7 HA3 GLY 7 15.019 -1.543 3.747
67 H ILE 8 H ILE 8 13.566 -2.122 6.841
68 HA ILE 8 HA ILE 8 13.805 0.360 8.054
69 HB ILE 8 HB ILE 8 14.295 -2.331 9.335
70 HG12 ILE 8 HG12 ILE 8 11.764 -1.434 10.037
71 HG13 ILE 8 HG13 ILE 8 11.892 -1.014 8.333
72 HG21 ILE 8 HG21 ILE 8 15.096 -0.548 10.744
73 HG22 ILE 8 HG22 ILE 8 13.591 0.344 10.531
74 HG23 ILE 8 HG23 ILE 8 13.593 -1.183 11.412
75 HD11 ILE 8 HD11 ILE 8 12.680 -3.440 8.019
76 HD12 ILE 8 HD12 ILE 8 11.992 -3.707 9.622
77 HD13 ILE 8 HD13 ILE 8 10.967 -3.133 8.306
78 H GLY 9 H GLY 9 16.266 -1.930 7.175
79 HA2 GLY 9 HA2 GLY 9 18.314 0.006 7.867
80 HA3 GLY 9 HA3 GLY 9 18.387 -1.505 8.762
81 H TYR 10 H TYR 10 17.197 -1.633 5.536
82 HA TYR 10 HA TYR 10 19.306 -3.380 4.735
83 HB2 TYR 10 HB2 TYR 10 16.895 -2.219 3.377
84 HB3 TYR 10 HB3 TYR 10 18.114 -3.070 2.435
85 HD1 TYR 10 HD1 TYR 10 16.096 -3.541 5.548
86 HD2 TYR 10 HD2 TYR 10 17.824 -5.333 2.097
87 HE1 TYR 10 HE1 TYR 10 15.051 -5.686 6.146
88 HE2 TYR 10 HE2 TYR 10 16.783 -7.483 2.685
89 HH TYR 10 HH TYR 10 14.743 -7.806 5.577
90 H ALA 11 H ALA 11 18.218 -0.264 3.374
91 HA ALA 11 HA ALA 11 20.588 0.092 1.838
92 HB1 ALA 11 HB1 ALA 11 18.948 1.290 0.851
93 HB2 ALA 11 HB2 ALA 11 18.136 1.641 2.376
94 HB3 ALA 11 HB3 ALA 11 19.557 2.570 1.900
95 H ILE 12 H ILE 12 19.374 1.652 4.801
96 HA ILE 12 HA ILE 12 21.480 3.391 5.258
97 HB ILE 12 HB ILE 12 19.855 1.914 7.332
98 HG12 ILE 12 HG12 ILE 12 19.201 4.704 6.888
99 HG13 ILE 12 HG13 ILE 12 19.038 3.770 5.405
100 HG21 ILE 12 HG21 ILE 12 21.804 4.165 7.496
101 HG22 ILE 12 HG22 ILE 12 20.431 4.126 8.601
102 HG23 ILE 12 HG23 ILE 12 21.580 2.789 8.575
103 HD11 ILE 12 HD11 ILE 12 16.990 3.328 6.169
104 HD12 ILE 12 HD12 ILE 12 17.801 2.156 7.209
105 HD13 ILE 12 HD13 ILE 12 17.408 3.761 7.827
106 H GLY 13 H GLY 13 21.091 0.068 6.497
107 HA2 GLY 13 HA2 GLY 13 23.575 -0.040 7.826
108 HA3 GLY 13 HA3 GLY 13 22.626 -1.429 7.317
109 H TYR 14 H TYR 14 22.697 -0.577 4.488
110 HA TYR 14 HA TYR 14 24.879 -2.071 3.625
111 HB2 TYR 14 HB2 TYR 14 22.776 -1.382 2.326
112 HB3 TYR 14 HB3 TYR 14 23.629 0.116 1.971
113 HD1 TYR 14 HD1 TYR 14 25.699 0.066 0.605
114 HD2 TYR 14 HD2 TYR 14 23.328 -3.416 1.206
115 HE1 TYR 14 HE1 TYR 14 26.817 -1.017 -1.300
116 HE2 TYR 14 HE2 TYR 14 24.441 -4.509 -0.696
117 HH TYR 14 HH TYR 14 26.507 -2.782 -2.855
118 H ALA 15 H ALA 15 24.499 1.471 3.654
119 HA ALA 15 HA ALA 15 27.140 2.005 2.768
120 HB1 ALA 15 HB1 ALA 15 25.009 3.679 4.053
121 HB2 ALA 15 HB2 ALA 15 26.613 4.330 3.713
122 HB3 ALA 15 HB3 ALA 15 25.609 3.727 2.395
123 H PHE 16 H PHE 16 25.655 1.711 5.950
124 HA PHE 16 HA PHE 16 27.786 2.706 7.481
125 HB2 PHE 16 HB2 PHE 16 25.316 1.242 7.960
126 HB3 PHE 16 HB3 PHE 16 26.603 0.741 9.051
127 HD1 PHE 16 HD1 PHE 16 28.031 2.924 9.897
128 HD2 PHE 16 HD2 PHE 16 23.918 2.834 8.808
129 HE1 PHE 16 HE1 PHE 16 27.622 4.908 11.293
130 HE2 PHE 16 HE2 PHE 16 23.502 4.819 10.201
131 HZ PHE 16 HZ PHE 16 25.355 5.859 11.445
132 H GLY 17 H GLY 17 26.980 -0.637 6.555
133 HA2 GLY 17 HA2 GLY 17 29.112 -1.908 7.834
134 HA3 GLY 17 HA3 GLY 17 28.282 -2.520 6.412
135 H ALA 18 H ALA 18 29.013 -0.172 4.798
136 HA ALA 18 HA ALA 18 31.534 -1.147 3.852
137 HB1 ALA 18 HB1 ALA 18 29.738 -0.299 2.362
138 HB2 ALA 18 HB2 ALA 18 30.050 1.325 2.975
139 HB3 ALA 18 HB3 ALA 18 31.304 0.462 2.085
140 H VAL 19 H VAL 19 30.434 1.803 5.477
141 HA VAL 19 HA VAL 19 32.764 3.294 5.392
142 HB VAL 19 HB VAL 19 30.729 3.134 7.618
143 HG11 VAL 19 HG11 VAL 19 32.988 5.058 7.132
144 HG12 VAL 19 HG12 VAL 19 31.595 5.459 8.139
145 HG13 VAL 19 HG13 VAL 19 32.647 4.114 8.582
146 HG21 VAL 19 HG21 VAL 19 30.258 3.912 5.105
147 HG22 VAL 19 HG22 VAL 19 29.475 4.658 6.498
148 HG23 VAL 19 HG23 VAL 19 30.877 5.429 5.756
149 H GLU 20 H GLU 20 31.937 0.568 7.425
150 HA GLU 20 HA GLU 20 34.132 0.906 9.234
151 HB2 GLU 20 HB2 GLU 20 32.745 -1.714 8.796
152 HB3 GLU 20 HB3 GLU 20 33.394 -1.039 10.284
153 HG2 GLU 20 HG2 GLU 20 31.495 0.780 9.751
154 HG3 GLU 20 HG3 GLU 20 30.770 -0.644 9.007
155 H ARG 21 H ARG 21 33.462 -1.292 6.520
156 HA ARG 21 HA ARG 21 35.857 -2.725 6.601
157 HB2 ARG 21 HB2 ARG 21 33.730 -2.244 4.608
158 HB3 ARG 21 HB3 ARG 21 35.284 -2.740 3.950
159 HG2 ARG 21 HG2 ARG 21 34.621 -4.395 6.188
160 HG3 ARG 21 HG3 ARG 21 33.275 -4.361 5.047
161 HD2 ARG 21 HD2 ARG 21 34.907 -4.879 3.229
162 HD3 ARG 21 HD3 ARG 21 36.142 -5.089 4.470
163 HE ARG 21 HE ARG 21 34.069 -6.735 5.207
164 HH11 ARG 21 HH11 ARG 21 36.140 -6.388 2.431
165 HH12 ARG 21 HH12 ARG 21 36.083 -8.070 2.015
166 HH21 ARG 21 HH21 ARG 21 33.987 -8.951 4.671
167 HH22 ARG 21 HH22 ARG 21 34.858 -9.526 3.290
168 H ALA 22 H ALA 22 35.111 0.421 5.281
169 HA ALA 22 HA ALA 22 37.270 0.799 3.568
170 HB1 ALA 22 HB1 ALA 22 36.356 2.809 3.330
171 HB2 ALA 22 HB2 ALA 22 35.195 2.367 4.582
172 HB3 ALA 22 HB3 ALA 22 36.678 3.217 5.015
173 H VAL 23 H VAL 23 37.025 1.569 7.038
174 HA VAL 23 HA VAL 23 39.814 2.293 7.188
175 HB VAL 23 HB VAL 23 38.073 1.789 9.580
176 HG11 VAL 23 HG11 VAL 23 39.473 3.305 10.677
177 HG12 VAL 23 HG12 VAL 23 40.572 2.365 9.665
178 HG13 VAL 23 HG13 VAL 23 40.077 3.983 9.165
179 HG21 VAL 23 HG21 VAL 23 36.657 3.114 8.202
180 HG22 VAL 23 HG22 VAL 23 37.379 4.198 9.391
181 HG23 VAL 23 HG23 VAL 23 37.990 4.170 7.737
182 H LEU 24 H LEU 24 37.868 -0.527 7.769
183 HA LEU 24 HA LEU 24 39.479 -1.978 9.500
184 HB2 LEU 24 HB2 LEU 24 37.165 -2.453 8.173
185 HB3 LEU 24 HB3 LEU 24 38.269 -3.514 7.301
186 HG LEU 24 HG LEU 24 38.773 -4.034 9.989
187 HD11 LEU 24 HD11 LEU 24 36.352 -4.713 10.626
188 HD12 LEU 24 HD12 LEU 24 35.886 -3.438 9.502
189 HD13 LEU 24 HD13 LEU 24 36.891 -3.056 10.900
190 HD21 LEU 24 HD21 LEU 24 37.040 -5.509 8.008
191 HD22 LEU 24 HD22 LEU 24 37.720 -6.195 9.484
192 HD23 LEU 24 HD23 LEU 24 38.789 -5.660 8.185
193 H GLY 25 H GLY 25 39.794 -1.439 6.044
194 HA2 GLY 25 HA2 GLY 25 41.835 -3.403 5.642
195 HA3 GLY 25 HA3 GLY 25 41.392 -2.119 4.527
196 H GLY 26 H GLY 26 41.930 0.161 5.810
197 HA2 GLY 26 HA2 GLY 26 44.842 -0.017 6.184
198 HA3 GLY 26 HA3 GLY 26 43.960 1.422 5.692
199 H SER 27 H SER 27 44.119 2.931 7.201
200 HA SER 27 HA SER 27 43.126 2.545 9.826
201 HB2 SER 27 HB2 SER 27 45.039 1.582 10.637
202 HB3 SER 27 HB3 SER 27 46.059 2.314 9.399
203 HG SER 27 HG SER 27 46.431 3.936 10.684
204 H ARG 28 H ARG 28 41.992 4.391 9.755
205 HA ARG 28 HA ARG 28 43.453 6.894 9.815
206 HB2 ARG 28 HB2 ARG 28 42.553 6.138 7.379
207 HB3 ARG 28 HB3 ARG 28 41.130 6.973 7.986
208 HG2 ARG 28 HG2 ARG 28 42.418 8.985 8.347
209 HG3 ARG 28 HG3 ARG 28 43.895 8.155 7.854
210 HD2 ARG 28 HD2 ARG 28 43.480 8.810 5.771
211 HD3 ARG 28 HD3 ARG 28 42.083 7.735 5.773
212 HE ARG 28 HE ARG 28 40.709 9.563 5.970
213 HH11 ARG 28 HH11 ARG 28 44.000 10.507 6.604
214 HH12 ARG 28 HH12 ARG 28 43.649 12.203 6.613
215 HH21 ARG 28 HH21 ARG 28 40.235 11.794 5.979
216 HH22 ARG 28 HH22 ARG 28 41.507 12.935 6.259
217 H ASP 29 H ASP 29 42.120 5.586 11.853
218 HA ASP 29 HA ASP 29 40.479 7.590 12.889
219 HB2 ASP 29 HB2 ASP 29 39.098 5.875 11.087
220 HB3 ASP 29 HB3 ASP 29 38.529 5.510 12.714
221 H TYR 30 H TYR 30 40.632 7.395 15.021
222 HA TYR 30 HA TYR 30 40.332 4.877 16.363
223 HB2 TYR 30 HB2 TYR 30 43.031 6.055 15.925
224 HB3 TYR 30 HB3 TYR 30 42.692 5.369 17.510
225 HD1 TYR 30 HD2 TYR 30 41.296 2.989 17.191
226 HD2 TYR 30 HD1 TYR 30 44.190 4.634 14.542
227 HE1 TYR 30 HE2 TYR 30 41.770 0.738 16.321
228 HE2 TYR 30 HE1 TYR 30 44.672 2.387 13.664
229 HH TYR 30 HH TYR 30 43.112 0.070 13.585
230 H ASN 31 H ASN 31 39.269 7.658 16.313
231 HA ASN 31 HA ASN 31 38.735 7.968 19.036
232 HB2 ASN 31 HB2 ASN 31 41.269 9.005 18.323
233 HB3 ASN 31 HB3 ASN 31 40.209 10.390 18.568
234 HD21 ASN 31 HD21 ASN 31 38.564 9.546 20.545
235 HD22 ASN 31 HD22 ASN 31 39.467 9.250 21.988
236 H LYS 32 H LYS 32 36.667 8.430 18.528
237 HA LYS 32 HA LYS 32 36.112 10.588 16.628
238 HB2 LYS 32 HB2 LYS 32 33.841 9.775 16.585
239 HB3 LYS 32 HB3 LYS 32 34.933 8.414 16.366
240 HG2 LYS 32 HG2 LYS 32 34.670 7.892 18.782
241 HG3 LYS 32 HG3 LYS 32 33.453 9.168 18.876
242 HD2 LYS 32 HD2 LYS 32 31.888 7.925 17.829
243 HD3 LYS 32 HD3 LYS 32 33.055 7.210 16.714
244 HE2 LYS 32 HE2 LYS 32 33.877 5.962 18.868
245 HE3 LYS 32 HE3 LYS 32 32.257 6.337 19.454
246 HZ1 LYS 32 HZ1 LYS 32 32.698 4.135 18.189
247 HZ2 LYS 32 HZ2 LYS 32 32.585 5.103 16.807
248 HZ3 LYS 32 HZ3 LYS 32 31.281 5.007 17.880
Start of MODEL 4
1 H1 ARG 1 H ARG 1 3.683 0.928 -1.824
2 HA ARG 1 HA ARG 1 4.804 1.412 -4.459
3 HB2 ARG 1 HB2 ARG 1 4.801 3.447 -2.249
4 HB3 ARG 1 HB3 ARG 1 6.106 3.405 -3.427
5 HG2 ARG 1 HG2 ARG 1 4.783 4.853 -4.524
6 HG3 ARG 1 HG3 ARG 1 3.997 3.376 -5.086
7 HD2 ARG 1 HD2 ARG 1 2.114 4.264 -4.273
8 HD3 ARG 1 HD3 ARG 1 2.756 3.845 -2.685
9 HE ARG 1 HE ARG 1 3.115 6.072 -2.276
10 HH11 ARG 1 HH11 ARG 1 2.516 5.605 -5.674
11 HH12 ARG 1 HH12 ARG 1 2.412 7.299 -6.021
12 HH21 ARG 1 HH21 ARG 1 2.979 8.305 -2.721
13 HH22 ARG 1 HH22 ARG 1 2.676 8.834 -4.341
14 H ARG 2 H ARG 2 5.903 -0.533 -4.188
15 HA ARG 2 HA ARG 2 7.469 -1.131 -1.891
16 HB2 ARG 2 HB2 ARG 2 6.523 -2.775 -3.599
17 HB3 ARG 2 HB3 ARG 2 7.860 -2.304 -4.640
18 HG2 ARG 2 HG2 ARG 2 9.021 -2.908 -2.173
19 HG3 ARG 2 HG3 ARG 2 7.813 -4.164 -2.453
20 HD2 ARG 2 HD2 ARG 2 9.937 -3.333 -4.426
21 HD3 ARG 2 HD3 ARG 2 10.042 -4.735 -3.361
22 HE ARG 2 HE ARG 2 7.720 -5.141 -4.682
23 HH11 ARG 2 HH11 ARG 2 10.964 -4.426 -5.722
24 HH12 ARG 2 HH12 ARG 2 10.810 -5.277 -7.224
25 HH21 ARG 2 HH21 ARG 2 7.504 -6.264 -6.656
26 HH22 ARG 2 HH22 ARG 2 8.841 -6.321 -7.754
27 H SER 3 H SER 3 8.834 0.619 -1.506
28 HA SER 3 HA SER 3 11.343 0.535 -2.846
29 HB2 SER 3 HB2 SER 3 10.289 1.872 -4.536
30 HB3 SER 3 HB3 SER 3 9.554 2.925 -3.327
31 HG SER 3 HG SER 3 11.832 3.294 -4.526
32 H ARG 4 H ARG 4 9.639 3.263 -1.330
33 HA ARG 4 HA ARG 4 11.785 3.544 0.593
34 HB2 ARG 4 HB2 ARG 4 9.346 5.156 -0.095
35 HB3 ARG 4 HB3 ARG 4 10.249 5.481 1.379
36 HG2 ARG 4 HG2 ARG 4 11.913 5.295 -1.018
37 HG3 ARG 4 HG3 ARG 4 10.738 6.611 -1.048
38 HD2 ARG 4 HD2 ARG 4 11.676 7.670 0.768
39 HD3 ARG 4 HD3 ARG 4 12.376 6.183 1.406
40 HE ARG 4 HE ARG 4 13.563 6.892 -1.074
41 HH11 ARG 4 HH11 ARG 4 13.530 7.700 2.312
42 HH12 ARG 4 HH12 ARG 4 15.150 8.314 2.315
43 HH21 ARG 4 HH21 ARG 4 15.696 7.699 -1.083
44 HH22 ARG 4 HH22 ARG 4 16.381 8.314 0.383
45 H LYS 5 H LYS 5 10.810 1.176 1.153
46 HA LYS 5 HA LYS 5 9.943 1.357 3.819
47 HB2 LYS 5 HB2 LYS 5 7.833 1.631 2.016
48 HB3 LYS 5 HB3 LYS 5 7.753 -0.049 2.530
49 HG2 LYS 5 HG2 LYS 5 8.179 1.704 4.780
50 HG3 LYS 5 HG3 LYS 5 6.742 2.167 3.866
51 HD2 LYS 5 HD2 LYS 5 6.065 -0.271 3.953
52 HD3 LYS 5 HD3 LYS 5 7.364 -0.497 5.126
53 HE2 LYS 5 HE2 LYS 5 5.898 0.088 6.697
54 HE3 LYS 5 HE3 LYS 5 5.986 1.726 6.051
55 HZ1 LYS 5 HZ1 LYS 5 4.225 0.544 4.393
56 HZ2 LYS 5 HZ2 LYS 5 3.802 1.474 5.741
57 HZ3 LYS 5 HZ3 LYS 5 3.861 -0.212 5.862
58 H ASN 6 H ASN 6 9.951 -0.635 0.897
59 HA ASN 6 HA ASN 6 9.951 -3.152 2.093
60 HB2 ASN 6 HB2 ASN 6 9.629 -3.046 -0.256
61 HB3 ASN 6 HB3 ASN 6 11.131 -2.158 -0.498
62 HD21 ASN 6 HD21 ASN 6 9.687 -5.255 0.063
63 HD22 ASN 6 HD22 ASN 6 11.095 -6.201 -0.264
64 H GLY 7 H GLY 7 12.488 -0.794 1.775
65 HA2 GLY 7 HA2 GLY 7 14.577 -2.681 2.494
66 HA3 GLY 7 HA3 GLY 7 14.781 -0.962 2.191
67 H ILE 8 H ILE 8 13.447 -3.251 4.553
68 HA ILE 8 HA ILE 8 13.042 -1.520 6.673
69 HB ILE 8 HB ILE 8 14.026 -4.371 6.838
70 HG12 ILE 8 HG12 ILE 8 11.968 -4.164 5.520
71 HG13 ILE 8 HG13 ILE 8 11.649 -4.953 7.061
72 HG21 ILE 8 HG21 ILE 8 12.648 -4.180 9.042
73 HG22 ILE 8 HG22 ILE 8 14.306 -3.583 8.985
74 HG23 ILE 8 HG23 ILE 8 12.958 -2.453 8.860
75 HD11 ILE 8 HD11 ILE 8 11.104 -2.063 6.429
76 HD12 ILE 8 HD12 ILE 8 9.906 -3.356 6.482
77 HD13 ILE 8 HD13 ILE 8 10.755 -2.879 7.953
78 H GLY 9 H GLY 9 16.008 -3.262 5.778
79 HA2 GLY 9 HA2 GLY 9 17.521 -1.300 7.367
80 HA3 GLY 9 HA3 GLY 9 17.826 -3.016 7.591
81 H TYR 10 H TYR 10 17.026 -1.897 4.425
82 HA TYR 10 HA TYR 10 19.554 -2.790 3.408
83 HB2 TYR 10 HB2 TYR 10 17.092 -1.598 2.155
84 HB3 TYR 10 HB3 TYR 10 18.557 -1.858 1.214
85 HD1 TYR 10 HD1 TYR 10 16.487 -3.793 3.663
86 HD2 TYR 10 HD2 TYR 10 18.595 -3.788 -0.033
87 HE1 TYR 10 HE1 TYR 10 15.825 -6.132 3.290
88 HE2 TYR 10 HE2 TYR 10 17.937 -6.127 -0.417
89 HH TYR 10 HH TYR 10 15.554 -7.698 1.452
90 H ALA 11 H ALA 11 17.867 0.345 3.149
91 HA ALA 11 HA ALA 11 20.085 1.781 2.206
92 HB1 ALA 11 HB1 ALA 11 18.702 3.557 2.174
93 HB2 ALA 11 HB2 ALA 11 17.462 2.343 2.494
94 HB3 ALA 11 HB3 ALA 11 18.139 3.284 3.823
95 H ILE 12 H ILE 12 18.787 1.429 5.497
96 HA ILE 12 HA ILE 12 20.629 3.108 6.782
97 HB ILE 12 HB ILE 12 19.368 0.661 8.012
98 HG12 ILE 12 HG12 ILE 12 17.845 2.936 8.645
99 HG13 ILE 12 HG13 ILE 12 18.118 3.022 6.908
100 HG21 ILE 12 HG21 ILE 12 21.060 1.713 9.386
101 HG22 ILE 12 HG22 ILE 12 20.290 3.285 9.175
102 HG23 ILE 12 HG23 ILE 12 19.462 2.011 10.071
103 HD11 ILE 12 HD11 ILE 12 17.224 0.749 6.678
104 HD12 ILE 12 HD12 ILE 12 16.905 0.716 8.412
105 HD13 ILE 12 HD13 ILE 12 16.056 1.867 7.381
106 H GLY 13 H GLY 13 20.680 -0.421 6.304
107 HA2 GLY 13 HA2 GLY 13 23.161 -0.837 7.602
108 HA3 GLY 13 HA3 GLY 13 22.388 -1.947 6.480
109 H TYR 14 H TYR 14 22.333 0.102 4.344
110 HA TYR 14 HA TYR 14 24.657 -0.592 2.992
111 HB2 TYR 14 HB2 TYR 14 22.482 0.428 2.076
112 HB3 TYR 14 HB3 TYR 14 23.190 1.988 2.479
113 HD1 TYR 14 HD2 TYR 14 25.237 2.755 1.316
114 HD2 TYR 14 HD1 TYR 14 23.229 -0.820 0.179
115 HE1 TYR 14 HE2 TYR 14 26.442 2.767 -0.829
116 HE2 TYR 14 HE1 TYR 14 24.428 -0.818 -1.969
117 HH TYR 14 HH TYR 14 27.016 0.515 -2.628
118 H ALA 15 H ALA 15 23.909 2.477 4.640
119 HA ALA 15 HA ALA 15 26.494 3.588 4.228
120 HB1 ALA 15 HB1 ALA 15 24.188 4.316 6.005
121 HB2 ALA 15 HB2 ALA 15 25.718 5.192 6.064
122 HB3 ALA 15 HB3 ALA 15 24.785 5.148 4.568
123 H PHE 16 H PHE 16 24.938 2.015 7.007
124 HA PHE 16 HA PHE 16 26.932 2.322 8.893
125 HB2 PHE 16 HB2 PHE 16 24.678 0.498 8.483
126 HB3 PHE 16 HB3 PHE 16 25.991 -0.215 9.414
127 HD1 PHE 16 HD1 PHE 16 27.001 1.645 11.174
128 HD2 PHE 16 HD2 PHE 16 22.997 1.373 9.755
129 HE1 PHE 16 HE1 PHE 16 26.211 2.819 13.187
130 HE2 PHE 16 HE2 PHE 16 22.201 2.547 11.765
131 HZ PHE 16 HZ PHE 16 23.809 3.273 13.484
132 H GLY 17 H GLY 17 26.560 -0.311 6.525
133 HA2 GLY 17 HA2 GLY 17 28.751 -1.852 7.248
134 HA3 GLY 17 HA3 GLY 17 28.105 -1.746 5.617
135 H ALA 18 H ALA 18 28.647 1.081 5.311
136 HA ALA 18 HA ALA 18 31.364 0.881 4.427
137 HB1 ALA 18 HB1 ALA 18 30.784 2.530 3.053
138 HB2 ALA 18 HB2 ALA 18 29.158 2.418 3.728
139 HB3 ALA 18 HB3 ALA 18 30.312 3.572 4.395
140 H VAL 19 H VAL 19 29.679 2.683 6.971
141 HA VAL 19 HA VAL 19 31.751 4.278 7.880
142 HB VAL 19 HB VAL 19 29.568 2.951 9.491
143 HG11 VAL 19 HG11 VAL 19 30.171 5.203 10.855
144 HG12 VAL 19 HG12 VAL 19 30.835 3.613 11.235
145 HG13 VAL 19 HG13 VAL 19 31.768 4.750 10.261
146 HG21 VAL 19 HG21 VAL 19 29.281 4.768 7.509
147 HG22 VAL 19 HG22 VAL 19 28.192 4.632 8.889
148 HG23 VAL 19 HG23 VAL 19 29.484 5.832 8.900
149 H GLU 20 H GLU 20 31.175 0.866 8.396
150 HA GLU 20 HA GLU 20 33.110 0.579 10.489
151 HB2 GLU 20 HB2 GLU 20 32.201 -1.695 8.761
152 HB3 GLU 20 HB3 GLU 20 32.592 -1.693 10.475
153 HG2 GLU 20 HG2 GLU 20 30.482 -0.011 10.451
154 HG3 GLU 20 HG3 GLU 20 30.068 -1.076 9.109
155 H ARG 21 H ARG 21 33.060 -0.128 7.012
156 HA ARG 21 HA ARG 21 35.603 -1.261 6.806
157 HB2 ARG 21 HB2 ARG 21 33.629 -0.104 4.971
158 HB3 ARG 21 HB3 ARG 21 35.289 0.044 4.410
159 HG2 ARG 21 HG2 ARG 21 34.495 -1.965 3.504
160 HG3 ARG 21 HG3 ARG 21 35.512 -2.440 4.866
161 HD2 ARG 21 HD2 ARG 21 33.424 -2.560 6.254
162 HD3 ARG 21 HD3 ARG 21 32.504 -2.326 4.768
163 HE ARG 21 HE ARG 21 34.238 -4.462 4.352
164 HH11 ARG 21 HH11 ARG 21 31.510 -3.664 6.362
165 HH12 ARG 21 HH12 ARG 21 30.960 -5.302 6.492
166 HH21 ARG 21 HH21 ARG 21 33.524 -6.622 4.515
167 HH22 ARG 21 HH22 ARG 21 32.108 -6.984 5.442
168 H ALA 22 H ALA 22 34.595 2.064 7.057
169 HA ALA 22 HA ALA 22 36.867 3.362 6.086
170 HB1 ALA 22 HB1 ALA 22 35.861 5.240 6.789
171 HB2 ALA 22 HB2 ALA 22 34.499 4.176 7.138
172 HB3 ALA 22 HB3 ALA 22 35.621 4.621 8.423
173 H VAL 23 H VAL 23 36.103 2.345 9.412
174 HA VAL 23 HA VAL 23 38.718 3.100 10.368
175 HB VAL 23 HB VAL 23 36.801 1.370 11.898
176 HG11 VAL 23 HG11 VAL 23 38.881 3.420 12.620
177 HG12 VAL 23 HG12 VAL 23 37.721 2.774 13.782
178 HG13 VAL 23 HG13 VAL 23 38.875 1.697 12.995
179 HG21 VAL 23 HG21 VAL 23 35.333 3.046 11.162
180 HG22 VAL 23 HG22 VAL 23 35.857 3.581 12.758
181 HG23 VAL 23 HG23 VAL 23 36.558 4.306 11.311
182 H LEU 24 H LEU 24 37.156 0.223 9.202
183 HA LEU 24 HA LEU 24 38.748 -1.767 10.300
184 HB2 LEU 24 HB2 LEU 24 36.705 -1.693 8.514
185 HB3 LEU 24 HB3 LEU 24 38.053 -2.134 7.469
186 HG LEU 24 HG LEU 24 38.404 -3.907 9.471
187 HD11 LEU 24 HD11 LEU 24 35.919 -4.780 9.686
188 HD12 LEU 24 HD12 LEU 24 35.559 -3.061 9.529
189 HD13 LEU 24 HD13 LEU 24 36.601 -3.627 10.834
190 HD21 LEU 24 HD21 LEU 24 37.239 -3.909 6.809
191 HD22 LEU 24 HD22 LEU 24 36.615 -5.211 7.822
192 HD23 LEU 24 HD23 LEU 24 38.352 -5.053 7.559
193 H GLY 25 H GLY 25 39.297 0.215 7.414
194 HA2 GLY 25 HA2 GLY 25 42.097 0.165 7.661
195 HA3 GLY 25 HA3 GLY 25 41.620 -1.072 6.507
196 H GLY 26 H GLY 26 40.344 2.195 7.126
197 HA2 GLY 26 HA2 GLY 26 40.773 2.764 4.261
198 HA3 GLY 26 HA3 GLY 26 39.495 3.473 5.238
199 H SER 27 H SER 27 39.975 5.170 6.654
200 HA SER 27 HA SER 27 42.031 6.909 5.781
201 HB2 SER 27 HB2 SER 27 40.249 8.094 6.645
202 HB3 SER 27 HB3 SER 27 39.991 6.951 7.964
203 HG SER 27 HG SER 27 42.203 8.721 7.774
204 H ARG 28 H ARG 28 41.911 4.421 8.155
205 HA ARG 28 HA ARG 28 43.437 3.591 9.624
206 HB2 ARG 28 HB2 ARG 28 45.107 4.940 7.559
207 HB3 ARG 28 HB3 ARG 28 45.899 4.431 9.045
208 HG2 ARG 28 HG2 ARG 28 45.492 2.182 8.643
209 HG3 ARG 28 HG3 ARG 28 44.197 2.523 7.494
210 HD2 ARG 28 HD2 ARG 28 45.667 2.341 5.841
211 HD3 ARG 28 HD3 ARG 28 46.512 3.752 6.476
212 HE ARG 28 HE ARG 28 48.179 2.360 7.158
213 HH11 ARG 28 HH11 ARG 28 45.261 0.493 6.803
214 HH12 ARG 28 HH12 ARG 28 46.033 -1.020 7.146
215 HH21 ARG 28 HH21 ARG 28 49.206 0.374 7.610
216 HH22 ARG 28 HH22 ARG 28 48.277 -1.086 7.605
217 H ASP 29 H ASP 29 42.701 4.630 11.464
218 HA ASP 29 HA ASP 29 44.506 6.243 12.852
219 HB2 ASP 29 HB2 ASP 29 42.935 7.736 11.036
220 HB3 ASP 29 HB3 ASP 29 42.307 8.079 12.645
221 H TYR 30 H TYR 30 43.985 6.372 15.001
222 HA TYR 30 HA TYR 30 41.324 6.088 15.986
223 HB2 TYR 30 HB2 TYR 30 41.899 3.884 17.205
224 HB3 TYR 30 HB3 TYR 30 41.427 3.798 15.512
225 HD1 TYR 30 HD1 TYR 30 44.597 4.338 17.431
226 HD2 TYR 30 HD2 TYR 30 42.634 2.302 14.252
227 HE1 TYR 30 HE1 TYR 30 46.684 3.142 16.917
228 HE2 TYR 30 HE2 TYR 30 44.715 1.099 13.730
229 HH TYR 30 HH TYR 30 47.050 0.588 15.544
230 H ASN 31 H ASN 31 43.678 7.782 16.312
231 HA ASN 31 HA ASN 31 45.105 7.357 18.644
232 HB2 ASN 31 HB2 ASN 31 44.206 9.843 17.222
233 HB3 ASN 31 HB3 ASN 31 45.054 9.965 18.760
234 HD21 ASN 31 HD21 ASN 31 47.113 8.672 18.869
235 HD22 ASN 31 HD22 ASN 31 48.129 8.711 17.472
236 H LYS 32 H LYS 32 42.001 9.053 18.258
237 HA LYS 32 HA LYS 32 41.015 8.133 20.756
238 HB2 LYS 32 HB2 LYS 32 40.966 10.187 22.003
239 HB3 LYS 32 HB3 LYS 32 42.631 9.870 21.532
240 HG2 LYS 32 HG2 LYS 32 42.631 12.005 20.879
241 HG3 LYS 32 HG3 LYS 32 41.768 11.406 19.461
242 HD2 LYS 32 HD2 LYS 32 40.117 12.801 20.006
243 HD3 LYS 32 HD3 LYS 32 39.792 11.749 21.386
244 HE2 LYS 32 HE2 LYS 32 41.560 14.190 21.323
245 HE3 LYS 32 HE3 LYS 32 40.027 14.006 22.174
246 HZ1 LYS 32 HZ1 LYS 32 41.677 13.721 23.787
247 HZ2 LYS 32 HZ2 LYS 32 42.624 12.733 22.793
248 HZ3 LYS 32 HZ3 LYS 32 41.169 12.148 23.428
Start of MODEL 5
1 H1 ARG 1 H ARG 1 14.377 -2.628 -7.250
2 HA ARG 1 HA ARG 1 14.608 0.230 -6.987
3 HB2 ARG 1 HB2 ARG 1 12.259 0.292 -7.548
4 HB3 ARG 1 HB3 ARG 1 13.074 -0.840 -8.619
5 HG2 ARG 1 HG2 ARG 1 12.287 -2.689 -7.142
6 HG3 ARG 1 HG3 ARG 1 11.338 -1.497 -6.253
7 HD2 ARG 1 HD2 ARG 1 9.776 -1.368 -7.860
8 HD3 ARG 1 HD3 ARG 1 10.971 -1.401 -9.155
9 HE ARG 1 HE ARG 1 10.757 -3.954 -7.969
10 HH11 ARG 1 HH11 ARG 1 9.031 -1.766 -10.055
11 HH12 ARG 1 HH12 ARG 1 8.192 -3.025 -10.899
12 HH21 ARG 1 HH21 ARG 1 9.659 -5.621 -9.073
13 HH22 ARG 1 HH22 ARG 1 8.549 -5.217 -10.339
14 H ARG 2 H ARG 2 12.511 1.166 -5.697
15 HA ARG 2 HA ARG 2 12.247 -0.117 -3.102
16 HB2 ARG 2 HB2 ARG 2 12.899 1.978 -1.909
17 HB3 ARG 2 HB3 ARG 2 14.233 1.180 -2.731
18 HG2 ARG 2 HG2 ARG 2 12.886 3.182 -4.371
19 HG3 ARG 2 HG3 ARG 2 13.615 3.835 -2.902
20 HD2 ARG 2 HD2 ARG 2 15.027 2.120 -4.943
21 HD3 ARG 2 HD3 ARG 2 15.160 3.873 -4.818
22 HE ARG 2 HE ARG 2 15.821 2.757 -2.339
23 HH11 ARG 2 HH11 ARG 2 17.046 2.908 -5.595
24 HH12 ARG 2 HH12 ARG 2 18.704 2.750 -5.117
25 HH21 ARG 2 HH21 ARG 2 18.000 2.549 -1.698
26 HH22 ARG 2 HH22 ARG 2 19.245 2.545 -2.901
27 H SER 3 H SER 3 10.867 1.456 -1.638
28 HA SER 3 HA SER 3 9.036 3.176 -3.001
29 HB2 SER 3 HB2 SER 3 8.429 0.386 -2.973
30 HB3 SER 3 HB3 SER 3 7.288 1.209 -1.910
31 HG SER 3 HG SER 3 6.721 2.554 -3.615
32 H ARG 4 H ARG 4 10.792 3.029 -0.614
33 HA ARG 4 HA ARG 4 10.815 3.654 1.577
34 HB2 ARG 4 HB2 ARG 4 9.232 5.426 0.211
35 HB3 ARG 4 HB3 ARG 4 8.168 4.925 1.519
36 HG2 ARG 4 HG2 ARG 4 10.808 5.490 2.517
37 HG3 ARG 4 HG3 ARG 4 10.167 6.861 1.609
38 HD2 ARG 4 HD2 ARG 4 8.051 6.602 2.969
39 HD3 ARG 4 HD3 ARG 4 8.948 5.476 3.986
40 HE ARG 4 HE ARG 4 9.139 8.325 3.995
41 HH11 ARG 4 HH11 ARG 4 10.915 5.384 4.555
42 HH12 ARG 4 HH12 ARG 4 12.036 6.116 5.656
43 HH21 ARG 4 HH21 ARG 4 10.607 9.301 5.442
44 HH22 ARG 4 HH22 ARG 4 11.859 8.344 6.160
45 H LYS 5 H LYS 5 9.580 1.098 0.919
46 HA LYS 5 HA LYS 5 8.350 0.588 3.469
47 HB2 LYS 5 HB2 LYS 5 6.586 1.333 1.556
48 HB3 LYS 5 HB3 LYS 5 6.649 -0.400 1.260
49 HG2 LYS 5 HG2 LYS 5 6.228 0.634 4.031
50 HG3 LYS 5 HG3 LYS 5 4.884 0.559 2.890
51 HD2 LYS 5 HD2 LYS 5 4.903 -1.740 2.811
52 HD3 LYS 5 HD3 LYS 5 6.611 -1.846 3.243
53 HE2 LYS 5 HE2 LYS 5 5.107 -0.622 5.368
54 HE3 LYS 5 HE3 LYS 5 4.394 -2.173 4.926
55 HZ1 LYS 5 HZ1 LYS 5 7.298 -2.054 5.243
56 HZ2 LYS 5 HZ2 LYS 5 6.224 -3.312 5.595
57 HZ3 LYS 5 HZ3 LYS 5 6.357 -1.994 6.648
58 H ASN 6 H ASN 6 9.078 -0.646 0.230
59 HA ASN 6 HA ASN 6 9.100 -3.379 0.884
60 HB2 ASN 6 HB2 ASN 6 9.027 -2.851 -1.415
61 HB3 ASN 6 HB3 ASN 6 10.421 -1.781 -1.300
62 HD21 ASN 6 HD21 ASN 6 9.324 -4.956 -1.844
63 HD22 ASN 6 HD22 ASN 6 10.868 -5.703 -2.054
64 H GLY 7 H GLY 7 11.463 -0.855 1.319
65 HA2 GLY 7 HA2 GLY 7 13.471 -2.835 2.156
66 HA3 GLY 7 HA3 GLY 7 13.798 -1.153 1.764
67 H ILE 8 H ILE 8 12.206 -3.243 4.140
68 HA ILE 8 HA ILE 8 11.727 -1.289 6.089
69 HB ILE 8 HB ILE 8 12.312 -4.221 6.518
70 HG12 ILE 8 HG12 ILE 8 9.548 -3.516 6.772
71 HG13 ILE 8 HG13 ILE 8 10.141 -2.931 5.221
72 HG21 ILE 8 HG21 ILE 8 12.521 -2.960 8.575
73 HG22 ILE 8 HG22 ILE 8 10.957 -2.196 8.292
74 HG23 ILE 8 HG23 ILE 8 11.047 -3.928 8.610
75 HD11 ILE 8 HD11 ILE 8 9.455 -5.028 4.652
76 HD12 ILE 8 HD12 ILE 8 11.141 -5.349 5.059
77 HD13 ILE 8 HD13 ILE 8 9.868 -5.711 6.224
78 H GLY 9 H GLY 9 14.596 -3.170 5.337
79 HA2 GLY 9 HA2 GLY 9 16.098 -1.483 7.223
80 HA3 GLY 9 HA3 GLY 9 16.302 -3.228 7.275
81 H TYR 10 H TYR 10 15.759 -1.780 4.199
82 HA TYR 10 HA TYR 10 18.321 -2.670 3.263
83 HB2 TYR 10 HB2 TYR 10 15.926 -1.384 2.007
84 HB3 TYR 10 HB3 TYR 10 17.449 -1.415 1.126
85 HD1 TYR 10 HD2 TYR 10 15.526 -3.860 3.211
86 HD2 TYR 10 HD1 TYR 10 17.544 -3.083 -0.453
87 HE1 TYR 10 HE2 TYR 10 15.042 -6.153 2.465
88 HE2 TYR 10 HE1 TYR 10 17.064 -5.373 -1.210
89 HH TYR 10 HH TYR 10 15.724 -7.770 0.922
90 H ALA 11 H ALA 11 16.742 0.531 3.181
91 HA ALA 11 HA ALA 11 19.051 1.971 2.505
92 HB1 ALA 11 HB1 ALA 11 16.976 3.309 4.148
93 HB2 ALA 11 HB2 ALA 11 17.756 3.835 2.656
94 HB3 ALA 11 HB3 ALA 11 16.478 2.621 2.602
95 H ILE 12 H ILE 12 17.555 1.365 5.672
96 HA ILE 12 HA ILE 12 19.364 2.859 7.207
97 HB ILE 12 HB ILE 12 17.968 0.351 8.133
98 HG12 ILE 12 HG12 ILE 12 16.474 2.607 8.891
99 HG13 ILE 12 HG13 ILE 12 16.848 2.842 7.187
100 HG21 ILE 12 HG21 ILE 12 18.893 2.826 9.585
101 HG22 ILE 12 HG22 ILE 12 17.979 1.505 10.310
102 HG23 ILE 12 HG23 ILE 12 19.605 1.216 9.692
103 HD11 ILE 12 HD11 ILE 12 14.756 1.722 7.350
104 HD12 ILE 12 HD12 ILE 12 15.945 0.565 6.753
105 HD13 ILE 12 HD13 ILE 12 15.428 0.508 8.437
106 H GLY 13 H GLY 13 19.347 -0.612 6.409
107 HA2 GLY 13 HA2 GLY 13 21.732 -1.231 7.799
108 HA3 GLY 13 HA3 GLY 13 21.001 -2.201 6.529
109 H TYR 14 H TYR 14 21.125 -0.038 4.560
110 HA TYR 14 HA TYR 14 23.542 -0.645 3.337
111 HB2 TYR 14 HB2 TYR 14 21.442 0.431 2.329
112 HB3 TYR 14 HB3 TYR 14 22.099 1.963 2.894
113 HD1 TYR 14 HD2 TYR 14 24.232 2.813 1.955
114 HD2 TYR 14 HD1 TYR 14 22.334 -0.665 0.404
115 HE1 TYR 14 HE2 TYR 14 25.596 2.984 -0.084
116 HE2 TYR 14 HE1 TYR 14 23.694 -0.504 -1.638
117 HH TYR 14 HH TYR 14 25.458 0.510 -2.601
118 H ALA 15 H ALA 15 22.671 2.311 5.125
119 HA ALA 15 HA ALA 15 25.262 3.457 4.967
120 HB1 ALA 15 HB1 ALA 15 22.846 4.026 6.650
121 HB2 ALA 15 HB2 ALA 15 24.361 4.897 6.887
122 HB3 ALA 15 HB3 ALA 15 23.530 4.980 5.334
123 H PHE 16 H PHE 16 23.573 1.646 7.511
124 HA PHE 16 HA PHE 16 25.447 1.816 9.532
125 HB2 PHE 16 HB2 PHE 16 23.237 0.031 8.848
126 HB3 PHE 16 HB3 PHE 16 24.510 -0.777 9.757
127 HD1 PHE 16 HD1 PHE 16 25.452 1.014 11.689
128 HD2 PHE 16 HD2 PHE 16 21.488 0.649 10.181
129 HE1 PHE 16 HE1 PHE 16 24.573 1.977 13.776
130 HE2 PHE 16 HE2 PHE 16 20.603 1.612 12.265
131 HZ PHE 16 HZ PHE 16 22.146 2.278 14.066
132 H GLY 17 H GLY 17 25.313 -0.488 6.838
133 HA2 GLY 17 HA2 GLY 17 27.453 -2.118 7.581
134 HA3 GLY 17 HA3 GLY 17 26.922 -1.847 5.928
135 H ALA 18 H ALA 18 27.442 1.007 5.976
136 HA ALA 18 HA ALA 18 30.213 0.922 5.258
137 HB1 ALA 18 HB1 ALA 18 29.350 2.462 3.888
138 HB2 ALA 18 HB2 ALA 18 27.987 2.784 4.961
139 HB3 ALA 18 HB3 ALA 18 29.537 3.578 5.241
140 H VAL 19 H VAL 19 28.343 2.414 7.872
141 HA VAL 19 HA VAL 19 30.328 3.909 9.089
142 HB VAL 19 HB VAL 19 28.065 2.393 10.394
143 HG11 VAL 19 HG11 VAL 19 29.971 4.444 11.484
144 HG12 VAL 19 HG12 VAL 19 28.386 4.151 12.204
145 HG13 VAL 19 HG13 VAL 19 29.578 2.853 12.135
146 HG21 VAL 19 HG21 VAL 19 26.778 4.332 10.178
147 HG22 VAL 19 HG22 VAL 19 28.184 5.339 9.833
148 HG23 VAL 19 HG23 VAL 19 27.602 4.193 8.625
149 H GLU 20 H GLU 20 29.844 0.464 9.079
150 HA GLU 20 HA GLU 20 31.569 -0.085 11.299
151 HB2 GLU 20 HB2 GLU 20 30.945 -2.091 9.161
152 HB3 GLU 20 HB3 GLU 20 31.161 -2.342 10.887
153 HG2 GLU 20 HG2 GLU 20 28.989 -0.744 10.896
154 HG3 GLU 20 HG3 GLU 20 28.762 -1.593 9.369
155 H ARG 21 H ARG 21 31.901 -0.272 7.769
156 HA ARG 21 HA ARG 21 34.516 -1.261 7.690
157 HB2 ARG 21 HB2 ARG 21 32.667 0.042 5.818
158 HB3 ARG 21 HB3 ARG 21 34.365 0.326 5.457
159 HG2 ARG 21 HG2 ARG 21 34.217 -1.597 4.328
160 HG3 ARG 21 HG3 ARG 21 34.369 -2.347 5.918
161 HD2 ARG 21 HD2 ARG 21 32.501 -3.402 5.061
162 HD3 ARG 21 HD3 ARG 21 31.788 -2.092 6.001
163 HE ARG 21 HE ARG 21 31.028 -1.145 4.053
164 HH11 ARG 21 HH11 ARG 21 33.361 -3.619 3.308
165 HH12 ARG 21 HH12 ARG 21 33.045 -3.587 1.605
166 HH21 ARG 21 HH21 ARG 21 30.603 -1.092 1.813
167 HH22 ARG 21 HH22 ARG 21 31.477 -2.148 0.755
168 H ALA 22 H ALA 22 33.290 1.946 8.268
169 HA ALA 22 HA ALA 22 35.584 3.454 7.716
170 HB1 ALA 22 HB1 ALA 22 34.281 4.638 9.920
171 HB2 ALA 22 HB2 ALA 22 34.144 5.065 8.214
172 HB3 ALA 22 HB3 ALA 22 33.034 3.891 8.921
173 H VAL 23 H VAL 23 34.501 1.967 10.762
174 HA VAL 23 HA VAL 23 36.911 2.740 12.142
175 HB VAL 23 HB VAL 23 34.969 0.693 13.164
176 HG11 VAL 23 HG11 VAL 23 36.639 2.821 14.499
177 HG12 VAL 23 HG12 VAL 23 35.558 1.700 15.328
178 HG13 VAL 23 HG13 VAL 23 36.975 1.090 14.473
179 HG21 VAL 23 HG21 VAL 23 33.747 2.688 14.176
180 HG22 VAL 23 HG22 VAL 23 34.564 3.664 12.955
181 HG23 VAL 23 HG23 VAL 23 33.475 2.367 12.463
182 H LEU 24 H LEU 24 35.726 -0.050 10.434
183 HA LEU 24 HA LEU 24 37.412 -2.025 11.470
184 HB2 LEU 24 HB2 LEU 24 35.456 -1.937 9.580
185 HB3 LEU 24 HB3 LEU 24 36.891 -2.178 8.585
186 HG LEU 24 HG LEU 24 36.909 -4.013 10.796
187 HD11 LEU 24 HD11 LEU 24 34.934 -5.185 10.567
188 HD12 LEU 24 HD12 LEU 24 34.568 -4.473 8.996
189 HD13 LEU 24 HD13 LEU 24 34.384 -3.513 10.464
190 HD21 LEU 24 HD21 LEU 24 37.643 -5.437 9.204
191 HD22 LEU 24 HD22 LEU 24 37.857 -3.948 8.283
192 HD23 LEU 24 HD23 LEU 24 36.418 -4.939 8.037
193 H GLY 25 H GLY 25 38.010 0.540 9.184
194 HA2 GLY 25 HA2 GLY 25 40.314 -0.408 7.928
195 HA3 GLY 25 HA3 GLY 25 39.945 1.288 8.205
196 H GLY 26 H GLY 26 40.219 1.846 10.699
197 HA2 GLY 26 HA2 GLY 26 41.561 1.595 12.649
198 HA3 GLY 26 HA3 GLY 26 42.637 0.547 11.738
199 H SER 27 H SER 27 41.403 3.771 10.921
200 HA SER 27 HA SER 27 43.732 5.195 11.602
201 HB2 SER 27 HB2 SER 27 44.140 5.563 8.923
202 HB3 SER 27 HB3 SER 27 45.093 4.482 9.939
203 HG SER 27 HG SER 27 43.894 3.731 7.860
204 H ARG 28 H ARG 28 42.080 6.581 12.336
205 HA ARG 28 HA ARG 28 40.288 7.783 10.396
206 HB2 ARG 28 HB2 ARG 28 39.218 8.830 12.238
207 HB3 ARG 28 HB3 ARG 28 39.614 7.199 12.762
208 HG2 ARG 28 HG2 ARG 28 41.741 8.270 13.748
209 HG3 ARG 28 HG3 ARG 28 40.866 9.792 13.567
210 HD2 ARG 28 HD2 ARG 28 39.485 7.508 14.882
211 HD3 ARG 28 HD3 ARG 28 40.730 8.367 15.788
212 HE ARG 28 HE ARG 28 38.103 9.289 15.207
213 HH11 ARG 28 HH11 ARG 28 41.391 10.346 15.638
214 HH12 ARG 28 HH12 ARG 28 40.949 11.943 16.144
215 HH21 ARG 28 HH21 ARG 28 37.507 11.387 15.873
216 HH22 ARG 28 HH22 ARG 28 38.739 12.534 16.279
217 H ASP 29 H ASP 29 43.414 8.198 10.912
218 HA ASP 29 HA ASP 29 43.603 10.692 9.676
219 HB2 ASP 29 HB2 ASP 29 43.184 10.838 12.529
220 HB3 ASP 29 HB3 ASP 29 44.761 11.500 12.107
221 H TYR 30 H TYR 30 45.254 8.849 12.243
222 HA TYR 30 HA TYR 30 47.386 8.071 10.542
223 HB2 TYR 30 HB2 TYR 30 47.679 10.652 11.395
224 HB3 TYR 30 HB3 TYR 30 48.550 9.769 12.644
225 HD1 TYR 30 HD2 TYR 30 48.235 9.433 8.928
226 HD2 TYR 30 HD1 TYR 30 50.822 9.794 12.286
227 HE1 TYR 30 HE2 TYR 30 50.183 9.260 7.438
228 HE2 TYR 30 HE1 TYR 30 52.778 9.624 10.805
229 HH TYR 30 HH TYR 30 52.412 9.003 7.343
230 H ASN 31 H ASN 31 45.611 6.784 12.312
231 HA ASN 31 HA ASN 31 47.336 5.067 13.680
232 HB2 ASN 31 HB2 ASN 31 46.868 7.449 15.116
233 HB3 ASN 31 HB3 ASN 31 45.906 6.203 15.906
234 HD21 ASN 31 HD21 ASN 31 49.079 7.338 15.170
235 HD22 ASN 31 HD22 ASN 31 49.941 6.225 16.172
236 H LYS 32 H LYS 32 44.185 6.477 14.579
237 HA LYS 32 HA LYS 32 42.668 4.332 13.512
238 HB2 LYS 32 HB2 LYS 32 41.997 3.184 15.494
239 HB3 LYS 32 HB3 LYS 32 43.755 3.215 15.486
240 HG2 LYS 32 HG2 LYS 32 43.152 5.482 16.884
241 HG3 LYS 32 HG3 LYS 32 41.862 4.382 17.376
242 HD2 LYS 32 HD2 LYS 32 44.701 3.441 17.345
243 HD3 LYS 32 HD3 LYS 32 44.110 4.416 18.693
244 HE2 LYS 32 HE2 LYS 32 43.167 2.618 19.590
245 HE3 LYS 32 HE3 LYS 32 42.186 2.398 18.142
246 HZ1 LYS 32 HZ1 LYS 32 44.542 1.421 17.341
247 HZ2 LYS 32 HZ2 LYS 32 43.304 0.477 18.002
248 HZ3 LYS 32 HZ3 LYS 32 44.578 1.004 18.980
Start of MODEL 6
1 H1 ARG 1 H ARG 1 10.520 7.287 1.779
2 HA ARG 1 HA ARG 1 7.879 6.962 3.025
3 HB2 ARG 1 HB2 ARG 1 8.494 7.829 0.283
4 HB3 ARG 1 HB3 ARG 1 7.333 6.512 0.383
5 HG2 ARG 1 HG2 ARG 1 6.413 8.239 2.292
6 HG3 ARG 1 HG3 ARG 1 7.035 9.333 1.055
7 HD2 ARG 1 HD2 ARG 1 5.027 9.038 0.096
8 HD3 ARG 1 HD3 ARG 1 5.708 7.510 -0.461
9 HE ARG 1 HE ARG 1 4.653 6.985 2.022
10 HH11 ARG 1 HH11 ARG 1 3.456 8.182 -1.020
11 HH12 ARG 1 HH12 ARG 1 1.864 7.539 -0.796
12 HH21 ARG 1 HH21 ARG 1 2.559 6.133 2.329
13 HH22 ARG 1 HH22 ARG 1 1.354 6.374 1.110
14 H ARG 2 H ARG 2 8.224 4.988 3.910
15 HA ARG 2 HA ARG 2 9.677 2.905 2.637
16 HB2 ARG 2 HB2 ARG 2 7.862 3.030 5.030
17 HB3 ARG 2 HB3 ARG 2 8.478 1.490 4.445
18 HG2 ARG 2 HG2 ARG 2 10.516 1.850 5.285
19 HG3 ARG 2 HG3 ARG 2 10.534 3.539 4.774
20 HD2 ARG 2 HD2 ARG 2 10.585 3.606 7.123
21 HD3 ARG 2 HD3 ARG 2 8.917 3.974 6.686
22 HE ARG 2 HE ARG 2 9.152 1.212 7.107
23 HH11 ARG 2 HH11 ARG 2 9.262 4.204 8.884
24 HH12 ARG 2 HH12 ARG 2 8.700 3.498 10.362
25 HH21 ARG 2 HH21 ARG 2 8.411 0.270 9.048
26 HH22 ARG 2 HH22 ARG 2 8.217 1.260 10.455
27 H SER 3 H SER 3 9.004 1.184 1.445
28 HA SER 3 HA SER 3 6.252 0.472 1.146
29 HB2 SER 3 HB2 SER 3 7.268 2.507 -0.583
30 HB3 SER 3 HB3 SER 3 6.999 1.051 -1.541
31 HG SER 3 HG SER 3 4.876 1.057 -0.300
32 H ARG 4 H ARG 4 8.931 -0.674 1.710
33 HA ARG 4 HA ARG 4 10.053 -2.615 1.330
34 HB2 ARG 4 HB2 ARG 4 7.449 -3.233 0.890
35 HB3 ARG 4 HB3 ARG 4 8.142 -3.643 -0.673
36 HG2 ARG 4 HG2 ARG 4 9.673 -4.653 1.602
37 HG3 ARG 4 HG3 ARG 4 8.034 -5.296 1.488
38 HD2 ARG 4 HD2 ARG 4 8.478 -5.900 -0.869
39 HD3 ARG 4 HD3 ARG 4 10.139 -5.342 -0.670
40 HE ARG 4 HE ARG 4 9.050 -7.834 0.199
41 HH11 ARG 4 HH11 ARG 4 11.445 -5.410 0.911
42 HH12 ARG 4 HH12 ARG 4 12.497 -6.507 1.743
43 HH21 ARG 4 HH21 ARG 4 10.426 -9.288 1.292
44 HH22 ARG 4 HH22 ARG 4 11.917 -8.713 1.958
45 H LYS 5 H LYS 5 10.640 -0.332 -0.275
46 HA LYS 5 HA LYS 5 11.968 -1.681 -2.487
47 HB2 LYS 5 HB2 LYS 5 11.277 0.288 -3.996
48 HB3 LYS 5 HB3 LYS 5 10.099 -0.985 -3.709
49 HG2 LYS 5 HG2 LYS 5 8.951 0.376 -2.089
50 HG3 LYS 5 HG3 LYS 5 10.188 1.629 -2.218
51 HD2 LYS 5 HD2 LYS 5 8.338 2.342 -3.530
52 HD3 LYS 5 HD3 LYS 5 9.592 1.816 -4.656
53 HE2 LYS 5 HE2 LYS 5 8.382 -0.459 -4.591
54 HE3 LYS 5 HE3 LYS 5 7.034 0.444 -3.901
55 HZ1 LYS 5 HZ1 LYS 5 8.204 0.628 -6.594
56 HZ2 LYS 5 HZ2 LYS 5 7.412 1.970 -5.937
57 HZ3 LYS 5 HZ3 LYS 5 6.578 0.512 -6.139
58 H ASN 6 H ASN 6 11.439 1.339 -0.716
59 HA ASN 6 HA ASN 6 13.710 2.719 -1.576
60 HB2 ASN 6 HB2 ASN 6 11.635 3.194 0.210
61 HB3 ASN 6 HB3 ASN 6 13.075 3.218 1.223
62 HD21 ASN 6 HD21 ASN 6 14.739 4.715 0.733
63 HD22 ASN 6 HD22 ASN 6 14.391 6.164 -0.142
64 H GLY 7 H GLY 7 13.344 0.136 0.723
65 HA2 GLY 7 HA2 GLY 7 15.070 -1.256 1.478
66 HA3 GLY 7 HA3 GLY 7 16.240 -0.061 0.937
67 H ILE 8 H ILE 8 14.898 -1.480 3.601
68 HA ILE 8 HA ILE 8 14.760 0.728 5.391
69 HB ILE 8 HB ILE 8 15.183 -2.184 6.068
70 HG12 ILE 8 HG12 ILE 8 13.178 -1.838 4.675
71 HG13 ILE 8 HG13 ILE 8 12.755 -2.311 6.317
72 HG21 ILE 8 HG21 ILE 8 15.680 -0.815 7.954
73 HG22 ILE 8 HG22 ILE 8 14.243 0.171 7.689
74 HG23 ILE 8 HG23 ILE 8 14.077 -1.506 8.209
75 HD11 ILE 8 HD11 ILE 8 12.263 0.023 6.851
76 HD12 ILE 8 HD12 ILE 8 12.663 0.479 5.195
77 HD13 ILE 8 HD13 ILE 8 11.282 -0.571 5.512
78 H GLY 9 H GLY 9 17.300 -1.497 4.421
79 HA2 GLY 9 HA2 GLY 9 19.234 0.215 5.814
80 HA3 GLY 9 HA3 GLY 9 19.257 -1.511 6.144
81 H TYR 10 H TYR 10 18.398 -0.544 2.960
82 HA TYR 10 HA TYR 10 20.609 -1.933 1.830
83 HB2 TYR 10 HB2 TYR 10 18.391 -0.256 0.681
84 HB3 TYR 10 HB3 TYR 10 19.687 -0.873 -0.337
85 HD1 TYR 10 HD1 TYR 10 17.140 -2.028 2.133
86 HD2 TYR 10 HD2 TYR 10 19.480 -2.979 -1.291
87 HE1 TYR 10 HE1 TYR 10 15.943 -4.165 1.917
88 HE2 TYR 10 HE2 TYR 10 18.288 -5.119 -1.518
89 HH TYR 10 HH TYR 10 15.452 -5.844 0.291
90 H ALA 11 H ALA 11 19.648 1.495 1.570
91 HA ALA 11 HA ALA 11 22.165 2.298 0.504
92 HB1 ALA 11 HB1 ALA 11 19.869 3.882 1.641
93 HB2 ALA 11 HB2 ALA 11 21.298 4.609 0.904
94 HB3 ALA 11 HB3 ALA 11 20.235 3.582 -0.059
95 H ILE 12 H ILE 12 20.643 2.653 3.699
96 HA ILE 12 HA ILE 12 22.735 4.053 4.931
97 HB ILE 12 HB ILE 12 20.905 2.102 6.323
98 HG12 ILE 12 HG12 ILE 12 19.886 4.709 6.573
99 HG13 ILE 12 HG13 ILE 12 20.263 4.513 4.865
100 HG21 ILE 12 HG21 ILE 12 22.705 2.934 7.706
101 HG22 ILE 12 HG22 ILE 12 22.321 4.595 7.254
102 HG23 ILE 12 HG23 ILE 12 21.179 3.656 8.217
103 HD11 ILE 12 HD11 ILE 12 18.215 3.190 6.522
104 HD12 ILE 12 HD12 ILE 12 18.167 3.689 4.831
105 HD13 ILE 12 HD13 ILE 12 18.999 2.203 5.289
106 H GLY 13 H GLY 13 22.043 0.560 4.859
107 HA2 GLY 13 HA2 GLY 13 24.269 -0.221 6.406
108 HA3 GLY 13 HA3 GLY 13 23.373 -1.257 5.305
109 H TYR 14 H TYR 14 23.945 0.559 3.024
110 HA TYR 14 HA TYR 14 26.156 -0.740 1.962
111 HB2 TYR 14 HB2 TYR 14 24.352 0.647 0.766
112 HB3 TYR 14 HB3 TYR 14 25.359 2.044 1.132
113 HD1 TYR 14 HD2 TYR 14 27.613 2.240 0.128
114 HD2 TYR 14 HD1 TYR 14 24.953 -0.899 -0.956
115 HE1 TYR 14 HE2 TYR 14 28.962 1.799 -1.881
116 HE2 TYR 14 HE1 TYR 14 26.294 -1.349 -2.968
117 HH TYR 14 HH TYR 14 29.134 0.628 -3.762
118 H ALA 15 H ALA 15 25.990 2.551 3.316
119 HA ALA 15 HA ALA 15 28.783 3.027 3.091
120 HB1 ALA 15 HB1 ALA 15 27.449 4.947 3.152
121 HB2 ALA 15 HB2 ALA 15 26.567 4.397 4.578
122 HB3 ALA 15 HB3 ALA 15 28.245 4.918 4.726
123 H PHE 16 H PHE 16 26.691 2.121 5.818
124 HA PHE 16 HA PHE 16 28.554 2.131 7.854
125 HB2 PHE 16 HB2 PHE 16 25.972 0.826 7.365
126 HB3 PHE 16 HB3 PHE 16 27.006 -0.047 8.491
127 HD1 PHE 16 HD1 PHE 16 28.301 1.824 10.107
128 HD2 PHE 16 HD2 PHE 16 24.398 2.093 8.431
129 HE1 PHE 16 HE1 PHE 16 27.636 3.362 11.909
130 HE2 PHE 16 HE2 PHE 16 23.727 3.631 10.230
131 HZ PHE 16 HZ PHE 16 25.347 4.268 11.972
132 H GLY 17 H GLY 17 27.643 -0.667 5.833
133 HA2 GLY 17 HA2 GLY 17 29.478 -2.488 6.854
134 HA3 GLY 17 HA3 GLY 17 28.832 -2.533 5.221
135 H ALA 18 H ALA 18 29.951 0.061 4.491
136 HA ALA 18 HA ALA 18 32.529 -0.854 3.645
137 HB1 ALA 18 HB1 ALA 18 32.642 1.109 2.338
138 HB2 ALA 18 HB2 ALA 18 30.951 0.605 2.310
139 HB3 ALA 18 HB3 ALA 18 31.456 1.940 3.347
140 H VAL 19 H VAL 19 31.358 1.614 5.902
141 HA VAL 19 HA VAL 19 33.753 2.831 6.566
142 HB VAL 19 HB VAL 19 31.391 2.253 8.358
143 HG11 VAL 19 HG11 VAL 19 33.766 4.061 8.755
144 HG12 VAL 19 HG12 VAL 19 32.273 4.188 9.687
145 HG13 VAL 19 HG13 VAL 19 33.248 2.720 9.775
146 HG21 VAL 19 HG21 VAL 19 31.654 3.937 6.137
147 HG22 VAL 19 HG22 VAL 19 30.347 3.921 7.321
148 HG23 VAL 19 HG23 VAL 19 31.730 4.991 7.548
149 H GLU 20 H GLU 20 32.478 -0.267 7.567
150 HA GLU 20 HA GLU 20 34.370 -0.671 9.680
151 HB2 GLU 20 HB2 GLU 20 32.943 -2.913 8.294
152 HB3 GLU 20 HB3 GLU 20 33.378 -2.757 9.990
153 HG2 GLU 20 HG2 GLU 20 31.684 -0.700 9.792
154 HG3 GLU 20 HG3 GLU 20 31.023 -1.741 8.533
155 H ARG 21 H ARG 21 34.066 -1.816 6.336
156 HA ARG 21 HA ARG 21 36.299 -3.494 6.294
157 HB2 ARG 21 HB2 ARG 21 34.624 -2.128 4.278
158 HB3 ARG 21 HB3 ARG 21 36.234 -2.589 3.741
159 HG2 ARG 21 HG2 ARG 21 35.790 -4.816 3.855
160 HG3 ARG 21 HG3 ARG 21 34.627 -4.629 5.169
161 HD2 ARG 21 HD2 ARG 21 32.930 -4.581 3.735
162 HD3 ARG 21 HD3 ARG 21 33.687 -3.281 2.814
163 HE ARG 21 HE ARG 21 35.000 -5.586 2.078
164 HH11 ARG 21 HH11 ARG 21 31.727 -4.402 1.996
165 HH12 ARG 21 HH12 ARG 21 31.296 -5.310 0.585
166 HH21 ARG 21 HH21 ARG 21 34.445 -6.786 0.220
167 HH22 ARG 21 HH22 ARG 21 32.842 -6.667 -0.424
168 H ALA 22 H ALA 22 36.031 -0.024 6.034
169 HA ALA 22 HA ALA 22 38.506 0.594 4.907
170 HB1 ALA 22 HB1 ALA 22 36.671 2.062 6.760
171 HB2 ALA 22 HB2 ALA 22 38.236 2.746 6.318
172 HB3 ALA 22 HB3 ALA 22 37.045 2.387 5.068
173 H VAL 23 H VAL 23 37.621 0.248 8.338
174 HA VAL 23 HA VAL 23 40.357 0.563 9.197
175 HB VAL 23 HB VAL 23 38.154 -0.491 10.943
176 HG11 VAL 23 HG11 VAL 23 40.683 -0.160 11.556
177 HG12 VAL 23 HG12 VAL 23 40.198 1.526 11.740
178 HG13 VAL 23 HG13 VAL 23 39.415 0.272 12.702
179 HG21 VAL 23 HG21 VAL 23 37.787 2.016 11.467
180 HG22 VAL 23 HG22 VAL 23 38.484 2.285 9.869
181 HG23 VAL 23 HG23 VAL 23 37.017 1.322 10.040
182 H LEU 24 H LEU 24 38.137 -2.070 8.582
183 HA LEU 24 HA LEU 24 39.354 -4.157 9.921
184 HB2 LEU 24 HB2 LEU 24 37.265 -3.940 8.224
185 HB3 LEU 24 HB3 LEU 24 38.429 -4.764 7.189
186 HG LEU 24 HG LEU 24 38.511 -6.218 9.537
187 HD11 LEU 24 HD11 LEU 24 36.257 -6.687 10.169
188 HD12 LEU 24 HD12 LEU 24 35.626 -5.623 8.913
189 HD13 LEU 24 HD13 LEU 24 36.502 -4.944 10.284
190 HD21 LEU 24 HD21 LEU 24 37.554 -6.527 6.797
191 HD22 LEU 24 HD22 LEU 24 36.743 -7.586 7.950
192 HD23 LEU 24 HD23 LEU 24 38.501 -7.626 7.800
193 H GLY 25 H GLY 25 40.188 -2.736 6.794
194 HA2 GLY 25 HA2 GLY 25 42.496 -4.552 6.613
195 HA3 GLY 25 HA3 GLY 25 41.830 -3.614 5.284
196 H GLY 26 H GLY 26 43.377 -3.165 8.464
197 HA2 GLY 26 HA2 GLY 26 45.614 -1.883 7.960
198 HA3 GLY 26 HA3 GLY 26 44.474 -0.616 7.531
199 H SER 27 H SER 27 44.075 0.803 9.079
200 HA SER 27 HA SER 27 43.355 0.169 11.706
201 HB2 SER 27 HB2 SER 27 46.164 0.075 11.288
202 HB3 SER 27 HB3 SER 27 45.822 1.520 12.239
203 HG SER 27 HG SER 27 45.389 -1.174 12.865
204 H ARG 28 H ARG 28 42.449 1.908 12.682
205 HA ARG 28 HA ARG 28 43.199 4.602 11.963
206 HB2 ARG 28 HB2 ARG 28 41.614 3.833 10.152
207 HB3 ARG 28 HB3 ARG 28 40.374 3.705 11.392
208 HG2 ARG 28 HG2 ARG 28 40.541 6.076 11.850
209 HG3 ARG 28 HG3 ARG 28 41.853 6.228 10.679
210 HD2 ARG 28 HD2 ARG 28 39.033 5.357 10.057
211 HD3 ARG 28 HD3 ARG 28 39.699 6.961 9.755
212 HE ARG 28 HE ARG 28 41.251 4.922 8.511
213 HH11 ARG 28 HH11 ARG 28 38.326 6.785 8.202
214 HH12 ARG 28 HH12 ARG 28 38.268 6.651 6.476
215 HH21 ARG 28 HH21 ARG 28 41.186 4.738 6.239
216 HH22 ARG 28 HH22 ARG 28 39.895 5.485 5.360
217 H ASP 29 H ASP 29 43.526 3.670 14.382
218 HA ASP 29 HA ASP 29 41.385 3.632 16.164
219 HB2 ASP 29 HB2 ASP 29 43.945 3.108 16.487
220 HB3 ASP 29 HB3 ASP 29 44.014 4.790 17.006
221 H TYR 30 H TYR 30 39.878 5.201 16.098
222 HA TYR 30 HA TYR 30 40.479 7.753 17.195
223 HB2 TYR 30 HB2 TYR 30 40.470 7.484 14.284
224 HB3 TYR 30 HB3 TYR 30 39.332 8.695 14.863
225 HD1 TYR 30 HD1 TYR 30 40.342 10.332 16.703
226 HD2 TYR 30 HD2 TYR 30 42.637 8.153 13.858
227 HE1 TYR 30 HE1 TYR 30 42.183 11.942 16.962
228 HE2 TYR 30 HE2 TYR 30 44.484 9.757 14.111
229 HH TYR 30 HH TYR 30 44.623 12.299 14.861
230 H ASN 31 H ASN 31 38.764 8.214 18.389
231 HA ASN 31 HA ASN 31 36.367 6.823 18.357
232 HB2 ASN 31 HB2 ASN 31 37.174 9.481 19.500
233 HB3 ASN 31 HB3 ASN 31 35.505 8.933 19.622
234 HD21 ASN 31 HD21 ASN 31 35.278 6.648 20.468
235 HD22 ASN 31 HD22 ASN 31 36.279 6.225 21.811
236 H LYS 32 H LYS 32 36.614 10.274 17.504
237 HA LYS 32 HA LYS 32 34.295 9.964 15.755
238 HB2 LYS 32 HB2 LYS 32 35.580 12.210 17.191
239 HB3 LYS 32 HB3 LYS 32 34.866 12.604 15.633
240 HG2 LYS 32 HG2 LYS 32 32.718 11.983 16.333
241 HG3 LYS 32 HG3 LYS 32 33.337 11.118 17.742
242 HD2 LYS 32 HD2 LYS 32 34.063 13.959 17.642
243 HD3 LYS 32 HD3 LYS 32 32.330 13.652 17.781
244 HE2 LYS 32 HE2 LYS 32 33.237 13.834 19.988
245 HE3 LYS 32 HE3 LYS 32 32.822 12.144 19.703
246 HZ1 LYS 32 HZ1 LYS 32 35.219 11.828 19.082
247 HZ2 LYS 32 HZ2 LYS 32 34.931 12.157 20.716
248 HZ3 LYS 32 HZ3 LYS 32 35.516 13.376 19.699
Start of MODEL 7
1 H1 ARG 1 H ARG 1 9.972 7.331 -4.247
2 HA ARG 1 HA ARG 1 9.590 5.058 -4.155
3 HB2 ARG 1 HB2 ARG 1 12.518 5.408 -4.750
4 HB3 ARG 1 HB3 ARG 1 11.775 3.814 -4.736
5 HG2 ARG 1 HG2 ARG 1 10.466 5.923 -6.356
6 HG3 ARG 1 HG3 ARG 1 11.991 5.255 -6.944
7 HD2 ARG 1 HD2 ARG 1 11.113 3.092 -7.105
8 HD3 ARG 1 HD3 ARG 1 9.741 3.476 -6.066
9 HE ARG 1 HE ARG 1 9.934 3.890 -8.896
10 HH11 ARG 1 HH11 ARG 1 8.424 4.988 -5.958
11 HH12 ARG 1 HH12 ARG 1 7.038 5.648 -6.763
12 HH21 ARG 1 HH21 ARG 1 8.115 4.754 -9.967
13 HH22 ARG 1 HH22 ARG 1 6.863 5.513 -9.043
14 H ARG 2 H ARG 2 9.947 3.020 -3.063
15 HA ARG 2 HA ARG 2 10.264 3.317 -0.279
16 HB2 ARG 2 HB2 ARG 2 10.341 0.762 -1.894
17 HB3 ARG 2 HB3 ARG 2 10.024 0.895 -0.170
18 HG2 ARG 2 HG2 ARG 2 8.005 2.270 -0.748
19 HG3 ARG 2 HG3 ARG 2 8.287 1.834 -2.435
20 HD2 ARG 2 HD2 ARG 2 7.666 -0.004 -0.132
21 HD3 ARG 2 HD3 ARG 2 6.675 0.313 -1.555
22 HE ARG 2 HE ARG 2 9.106 -0.695 -2.447
23 HH11 ARG 2 HH11 ARG 2 6.390 -1.751 -0.543
24 HH12 ARG 2 HH12 ARG 2 6.566 -3.419 -0.978
25 HH21 ARG 2 HH21 ARG 2 9.349 -2.888 -3.027
26 HH22 ARG 2 HH22 ARG 2 8.250 -4.065 -2.391
27 H SER 3 H SER 3 12.131 3.741 0.694
28 HA SER 3 HA SER 3 14.289 1.966 0.723
29 HB2 SER 3 HB2 SER 3 15.279 2.508 -1.241
30 HB3 SER 3 HB3 SER 3 14.392 4.026 -1.379
31 HG SER 3 HG SER 3 16.678 3.536 0.230
32 H ARG 4 H ARG 4 13.174 5.270 1.119
33 HA ARG 4 HA ARG 4 15.131 5.842 3.177
34 HB2 ARG 4 HB2 ARG 4 13.030 7.373 1.735
35 HB3 ARG 4 HB3 ARG 4 13.466 7.930 3.345
36 HG2 ARG 4 HG2 ARG 4 15.546 7.412 1.252
37 HG3 ARG 4 HG3 ARG 4 14.688 8.951 1.351
38 HD2 ARG 4 HD2 ARG 4 15.787 7.955 3.891
39 HD3 ARG 4 HD3 ARG 4 16.986 8.387 2.673
40 HE ARG 4 HE ARG 4 15.263 10.502 2.713
41 HH11 ARG 4 HH11 ARG 4 17.185 8.847 5.099
42 HH12 ARG 4 HH12 ARG 4 17.414 10.255 6.081
43 HH21 ARG 4 HH21 ARG 4 15.558 12.363 3.999
44 HH22 ARG 4 HH22 ARG 4 16.487 12.255 5.455
45 H LYS 5 H LYS 5 12.525 3.959 3.174
46 HA LYS 5 HA LYS 5 12.090 4.312 6.025
47 HB2 LYS 5 HB2 LYS 5 10.372 5.674 4.599
48 HB3 LYS 5 HB3 LYS 5 9.647 4.099 4.301
49 HG2 LYS 5 HG2 LYS 5 9.893 3.993 6.974
50 HG3 LYS 5 HG3 LYS 5 9.695 5.732 6.751
51 HD2 LYS 5 HD2 LYS 5 7.766 4.733 5.100
52 HD3 LYS 5 HD3 LYS 5 7.764 3.552 6.412
53 HE2 LYS 5 HE2 LYS 5 7.780 6.453 7.089
54 HE3 LYS 5 HE3 LYS 5 6.278 5.725 6.522
55 HZ1 LYS 5 HZ1 LYS 5 7.853 5.016 8.925
56 HZ2 LYS 5 HZ2 LYS 5 6.662 3.994 8.297
57 HZ3 LYS 5 HZ3 LYS 5 6.246 5.539 8.845
58 H ASN 6 H ASN 6 11.287 2.515 3.083
59 HA ASN 6 HA ASN 6 10.403 0.170 4.410
60 HB2 ASN 6 HB2 ASN 6 10.970 0.994 1.646
61 HB3 ASN 6 HB3 ASN 6 11.263 -0.714 1.960
62 HD21 ASN 6 HD21 ASN 6 9.599 -1.907 1.423
63 HD22 ASN 6 HD22 ASN 6 7.934 -1.490 1.617
64 H GLY 7 H GLY 7 13.530 1.409 3.568
65 HA2 GLY 7 HA2 GLY 7 14.932 -1.081 3.710
66 HA3 GLY 7 HA3 GLY 7 15.652 0.522 3.743
67 H ILE 8 H ILE 8 14.109 -1.960 5.706
68 HA ILE 8 HA ILE 8 14.435 -0.710 8.207
69 HB ILE 8 HB ILE 8 14.381 -3.671 7.612
70 HG12 ILE 8 HG12 ILE 8 11.925 -2.763 8.673
71 HG13 ILE 8 HG13 ILE 8 12.358 -1.637 7.391
72 HG21 ILE 8 HG21 ILE 8 13.278 -3.475 10.028
73 HG22 ILE 8 HG22 ILE 8 15.012 -3.681 9.792
74 HG23 ILE 8 HG23 ILE 8 14.351 -2.078 10.108
75 HD11 ILE 8 HD11 ILE 8 12.855 -3.999 6.179
76 HD12 ILE 8 HD12 ILE 8 11.519 -4.439 7.243
77 HD13 ILE 8 HD13 ILE 8 11.326 -3.126 6.081
78 H GLY 9 H GLY 9 16.616 -2.555 6.196
79 HA2 GLY 9 HA2 GLY 9 18.803 -1.859 8.007
80 HA3 GLY 9 HA3 GLY 9 18.564 -3.565 7.660
81 H TYR 10 H TYR 10 17.801 -1.346 5.150
82 HA TYR 10 HA TYR 10 19.816 -2.464 3.452
83 HB2 TYR 10 HB2 TYR 10 17.701 -0.359 3.099
84 HB3 TYR 10 HB3 TYR 10 18.917 -0.630 1.856
85 HD1 TYR 10 HD1 TYR 10 16.578 -2.653 3.966
86 HD2 TYR 10 HD2 TYR 10 18.334 -2.048 0.138
87 HE1 TYR 10 HE1 TYR 10 15.230 -4.501 3.062
88 HE2 TYR 10 HE2 TYR 10 16.990 -3.894 -0.776
89 HH TYR 10 HH TYR 10 15.354 -5.354 -0.378
90 H ALA 11 H ALA 11 19.162 0.885 4.499
91 HA ALA 11 HA ALA 11 21.667 1.866 3.581
92 HB1 ALA 11 HB1 ALA 11 19.850 3.396 3.730
93 HB2 ALA 11 HB2 ALA 11 19.607 3.035 5.440
94 HB3 ALA 11 HB3 ALA 11 21.054 3.897 4.918
95 H ILE 12 H ILE 12 20.406 1.250 6.859
96 HA ILE 12 HA ILE 12 22.675 1.897 8.304
97 HB ILE 12 HB ILE 12 20.690 -0.294 8.921
98 HG12 ILE 12 HG12 ILE 12 20.436 2.144 10.455
99 HG13 ILE 12 HG13 ILE 12 20.322 2.482 8.732
100 HG21 ILE 12 HG21 ILE 12 21.476 0.529 11.325
101 HG22 ILE 12 HG22 ILE 12 22.299 -0.764 10.454
102 HG23 ILE 12 HG23 ILE 12 22.957 0.872 10.430
103 HD11 ILE 12 HD11 ILE 12 18.152 2.038 9.879
104 HD12 ILE 12 HD12 ILE 12 18.481 1.004 8.488
105 HD13 ILE 12 HD13 ILE 12 18.692 0.377 10.123
106 H GLY 13 H GLY 13 21.747 -1.296 7.016
107 HA2 GLY 13 HA2 GLY 13 24.031 -2.672 7.911
108 HA3 GLY 13 HA3 GLY 13 22.994 -3.173 6.583
109 H TYR 14 H TYR 14 23.450 -0.775 5.012
110 HA TYR 14 HA TYR 14 25.596 -1.613 3.454
111 HB2 TYR 14 HB2 TYR 14 23.688 -0.007 2.850
112 HB3 TYR 14 HB3 TYR 14 24.679 1.255 3.573
113 HD1 TYR 14 HD1 TYR 14 26.867 1.840 2.560
114 HD2 TYR 14 HD2 TYR 14 24.197 -0.898 0.695
115 HE1 TYR 14 HE1 TYR 14 28.088 2.102 0.441
116 HE2 TYR 14 HE2 TYR 14 25.411 -0.644 -1.429
117 HH TYR 14 HH TYR 14 26.888 1.141 -2.502
118 H ALA 15 H ALA 15 25.470 1.101 5.759
119 HA ALA 15 HA ALA 15 28.219 1.755 5.508
120 HB1 ALA 15 HB1 ALA 15 26.097 2.463 7.505
121 HB2 ALA 15 HB2 ALA 15 27.769 2.983 7.713
122 HB3 ALA 15 HB3 ALA 15 26.860 3.486 6.288
123 H PHE 16 H PHE 16 26.406 -0.345 7.672
124 HA PHE 16 HA PHE 16 28.323 -0.813 9.625
125 HB2 PHE 16 HB2 PHE 16 25.870 -2.066 8.729
126 HB3 PHE 16 HB3 PHE 16 27.046 -3.273 9.236
127 HD1 PHE 16 HD2 PHE 16 28.178 -2.874 11.532
128 HD2 PHE 16 HD1 PHE 16 24.552 -1.014 10.304
129 HE1 PHE 16 HE2 PHE 16 27.606 -2.444 13.885
130 HE2 PHE 16 HE1 PHE 16 23.974 -0.580 12.656
131 HZ PHE 16 HZ PHE 16 25.501 -1.296 14.450
132 H GLY 17 H GLY 17 27.740 -2.678 6.641
133 HA2 GLY 17 HA2 GLY 17 29.784 -4.535 6.918
134 HA3 GLY 17 HA3 GLY 17 29.151 -3.975 5.377
135 H ALA 18 H ALA 18 29.940 -1.219 5.754
136 HA ALA 18 HA ALA 18 32.632 -1.430 4.798
137 HB1 ALA 18 HB1 ALA 18 31.366 1.178 5.521
138 HB2 ALA 18 HB2 ALA 18 32.452 0.789 4.186
139 HB3 ALA 18 HB3 ALA 18 30.769 0.261 4.137
140 H VAL 19 H VAL 19 31.103 -0.163 7.733
141 HA VAL 19 HA VAL 19 33.302 0.983 8.962
142 HB VAL 19 HB VAL 19 31.010 -0.507 10.245
143 HG11 VAL 19 HG11 VAL 19 33.131 1.262 11.443
144 HG12 VAL 19 HG12 VAL 19 31.608 0.891 12.253
145 HG13 VAL 19 HG13 VAL 19 32.741 -0.405 11.866
146 HG21 VAL 19 HG21 VAL 19 31.004 1.849 8.803
147 HG22 VAL 19 HG22 VAL 19 29.769 1.325 9.948
148 HG23 VAL 19 HG23 VAL 19 31.071 2.388 10.481
149 H GLU 20 H GLU 20 32.500 -2.377 8.547
150 HA GLU 20 HA GLU 20 34.327 -3.364 10.521
151 HB2 GLU 20 HB2 GLU 20 33.362 -5.001 8.203
152 HB3 GLU 20 HB3 GLU 20 33.681 -5.503 9.857
153 HG2 GLU 20 HG2 GLU 20 31.679 -3.775 10.293
154 HG3 GLU 20 HG3 GLU 20 31.262 -4.315 8.667
155 H ARG 21 H ARG 21 34.392 -2.994 6.998
156 HA ARG 21 HA ARG 21 36.841 -4.230 6.498
157 HB2 ARG 21 HB2 ARG 21 35.089 -2.327 5.093
158 HB3 ARG 21 HB3 ARG 21 36.782 -2.243 4.626
159 HG2 ARG 21 HG2 ARG 21 36.224 -4.956 4.660
160 HG3 ARG 21 HG3 ARG 21 34.778 -4.217 3.970
161 HD2 ARG 21 HD2 ARG 21 37.508 -3.432 3.019
162 HD3 ARG 21 HD3 ARG 21 36.721 -4.882 2.399
163 HE ARG 21 HE ARG 21 36.087 -2.169 1.752
164 HH11 ARG 21 HH11 ARG 21 34.786 -5.385 2.041
165 HH12 ARG 21 HH12 ARG 21 33.501 -5.107 0.912
166 HH21 ARG 21 HH21 ARG 21 34.400 -1.791 0.264
167 HH22 ARG 21 HH22 ARG 21 33.283 -3.063 -0.099
168 H ALA 22 H ALA 22 36.101 -1.064 7.760
169 HA ALA 22 HA ALA 22 38.573 0.194 7.325
170 HB1 ALA 22 HB1 ALA 22 37.702 1.329 9.640
171 HB2 ALA 22 HB2 ALA 22 37.169 1.795 8.024
172 HB3 ALA 22 HB3 ALA 22 36.205 0.670 8.981
173 H VAL 23 H VAL 23 37.387 -1.725 10.066
174 HA VAL 23 HA VAL 23 39.892 -1.501 11.481
175 HB VAL 23 HB VAL 23 37.747 -3.490 12.155
176 HG11 VAL 23 HG11 VAL 23 38.566 -3.346 14.336
177 HG12 VAL 23 HG12 VAL 23 40.020 -3.299 13.337
178 HG13 VAL 23 HG13 VAL 23 39.376 -1.810 14.031
179 HG21 VAL 23 HG21 VAL 23 37.639 -0.517 12.393
180 HG22 VAL 23 HG22 VAL 23 36.364 -1.657 11.964
181 HG23 VAL 23 HG23 VAL 23 36.893 -1.516 13.640
182 H LEU 24 H LEU 24 38.288 -3.837 9.419
183 HA LEU 24 HA LEU 24 39.846 -6.091 9.955
184 HB2 LEU 24 HB2 LEU 24 37.765 -5.522 8.301
185 HB3 LEU 24 HB3 LEU 24 39.083 -5.706 7.145
186 HG LEU 24 HG LEU 24 39.286 -7.915 8.844
187 HD11 LEU 24 HD11 LEU 24 36.836 -8.764 8.227
188 HD12 LEU 24 HD12 LEU 24 36.481 -7.055 8.470
189 HD13 LEU 24 HD13 LEU 24 37.219 -7.994 9.767
190 HD21 LEU 24 HD21 LEU 24 38.578 -9.152 6.825
191 HD22 LEU 24 HD22 LEU 24 39.799 -7.924 6.488
192 HD23 LEU 24 HD23 LEU 24 38.108 -7.622 6.084
193 H GLY 25 H GLY 25 40.509 -3.250 8.038
194 HA2 GLY 25 HA2 GLY 25 43.065 -4.448 7.176
195 HA3 GLY 25 HA3 GLY 25 42.257 -3.119 6.358
196 H GLY 26 H GLY 26 41.764 -1.266 8.148
197 HA2 GLY 26 HA2 GLY 26 43.181 -0.558 10.259
198 HA3 GLY 26 HA3 GLY 26 44.440 -0.491 9.035
199 H SER 27 H SER 27 43.184 1.620 10.722
200 HA SER 27 HA SER 27 43.111 3.669 8.776
201 HB2 SER 27 HB2 SER 27 40.589 4.220 9.633
202 HB3 SER 27 HB3 SER 27 40.955 3.390 8.121
203 HG SER 27 HG SER 27 40.637 1.975 10.544
204 H ARG 28 H ARG 28 42.274 5.789 9.823
205 HA ARG 28 HA ARG 28 42.469 5.860 12.710
206 HB2 ARG 28 HB2 ARG 28 44.839 5.969 11.480
207 HB3 ARG 28 HB3 ARG 28 44.394 7.664 11.337
208 HG2 ARG 28 HG2 ARG 28 44.003 7.662 13.820
209 HG3 ARG 28 HG3 ARG 28 44.739 6.058 13.852
210 HD2 ARG 28 HD2 ARG 28 46.326 7.992 12.371
211 HD3 ARG 28 HD3 ARG 28 46.064 8.473 14.047
212 HE ARG 28 HE ARG 28 47.755 6.387 13.121
213 HH11 ARG 28 HH11 ARG 28 45.632 7.281 15.731
214 HH12 ARG 28 HH12 ARG 28 46.439 6.289 16.901
215 HH21 ARG 28 HH21 ARG 28 48.826 5.077 14.652
216 HH22 ARG 28 HH22 ARG 28 48.256 5.037 16.286
217 H ASP 29 H ASP 29 40.277 6.486 11.327
218 HA ASP 29 HA ASP 29 39.672 9.093 12.113
219 HB2 ASP 29 HB2 ASP 29 40.956 8.925 9.531
220 HB3 ASP 29 HB3 ASP 29 39.316 9.547 9.362
221 H TYR 30 H TYR 30 37.484 9.681 11.676
222 HA TYR 30 HA TYR 30 35.794 7.985 10.101
223 HB2 TYR 30 HB2 TYR 30 34.369 7.381 12.169
224 HB3 TYR 30 HB3 TYR 30 35.827 6.444 11.863
225 HD1 TYR 30 HD2 TYR 30 37.837 6.789 13.257
226 HD2 TYR 30 HD1 TYR 30 34.167 8.765 14.113
227 HE1 TYR 30 HE2 TYR 30 38.651 7.309 15.519
228 HE2 TYR 30 HE1 TYR 30 34.972 9.291 16.377
229 HH TYR 30 HH TYR 30 37.035 9.511 17.593
230 H ASN 31 H ASN 31 34.328 9.307 9.277
231 HA ASN 31 HA ASN 31 32.605 10.934 10.753
232 HB2 ASN 31 HB2 ASN 31 35.078 12.123 10.627
233 HB3 ASN 31 HB3 ASN 31 34.249 12.851 9.254
234 HD21 ASN 31 HD21 ASN 31 34.667 12.865 12.600
235 HD22 ASN 31 HD22 ASN 31 33.425 13.997 13.000
236 H LYS 32 H LYS 32 30.854 10.961 9.524
237 HA LYS 32 HA LYS 32 31.060 10.550 6.666
238 HB2 LYS 32 HB2 LYS 32 28.909 10.419 8.703
239 HB3 LYS 32 HB3 LYS 32 28.414 10.840 7.068
240 HG2 LYS 32 HG2 LYS 32 29.168 8.799 6.195
241 HG3 LYS 32 HG3 LYS 32 30.114 8.436 7.641
242 HD2 LYS 32 HD2 LYS 32 28.185 7.970 8.910
243 HD3 LYS 32 HD3 LYS 32 27.122 8.719 7.718
244 HE2 LYS 32 HE2 LYS 32 28.783 6.284 7.115
245 HE3 LYS 32 HE3 LYS 32 27.154 6.182 7.782
246 HZ1 LYS 32 HZ1 LYS 32 26.278 6.565 5.795
247 HZ2 LYS 32 HZ2 LYS 32 27.821 6.369 5.133
248 HZ3 LYS 32 HZ3 LYS 32 27.259 7.916 5.524
Start of MODEL 8
1 H1 ARG 1 H ARG 1 5.327 7.362 -2.130
2 HA ARG 1 HA ARG 1 5.278 6.759 0.745
3 HB2 ARG 1 HB2 ARG 1 3.649 5.680 -1.557
4 HB3 ARG 1 HB3 ARG 1 3.595 5.005 0.066
5 HG2 ARG 1 HG2 ARG 1 2.474 6.803 0.928
6 HG3 ARG 1 HG3 ARG 1 3.110 7.918 -0.282
7 HD2 ARG 1 HD2 ARG 1 1.426 5.761 -1.347
8 HD3 ARG 1 HD3 ARG 1 0.592 6.896 -0.287
9 HE ARG 1 HE ARG 1 2.084 8.386 -2.103
10 HH11 ARG 1 HH11 ARG 1 -0.607 6.177 -2.119
11 HH12 ARG 1 HH12 ARG 1 -1.346 6.882 -3.519
12 HH21 ARG 1 HH21 ARG 1 1.121 9.323 -3.947
13 HH22 ARG 1 HH22 ARG 1 -0.361 8.671 -4.558
14 H ARG 2 H ARG 2 7.605 6.227 0.526
15 HA ARG 2 HA ARG 2 8.291 3.841 -0.950
16 HB2 ARG 2 HB2 ARG 2 10.532 4.187 -0.128
17 HB3 ARG 2 HB3 ARG 2 9.881 5.729 -0.666
18 HG2 ARG 2 HG2 ARG 2 9.303 6.194 1.741
19 HG3 ARG 2 HG3 ARG 2 10.254 4.766 2.155
20 HD2 ARG 2 HD2 ARG 2 11.640 6.714 2.386
21 HD3 ARG 2 HD3 ARG 2 12.194 5.784 0.994
22 HE ARG 2 HE ARG 2 11.651 7.551 -0.353
23 HH11 ARG 2 HH11 ARG 2 10.084 7.950 2.730
24 HH12 ARG 2 HH12 ARG 2 9.516 9.549 2.381
25 HH21 ARG 2 HH21 ARG 2 10.908 9.655 -0.824
26 HH22 ARG 2 HH22 ARG 2 9.984 10.518 0.359
27 H SER 3 H SER 3 8.752 1.832 -0.120
28 HA SER 3 HA SER 3 8.850 1.267 2.668
29 HB2 SER 3 HB2 SER 3 6.458 1.603 2.588
30 HB3 SER 3 HB3 SER 3 6.315 0.556 1.176
31 HG SER 3 HG SER 3 5.764 -0.532 3.113
32 H ARG 4 H ARG 4 7.428 -0.597 -0.005
33 HA ARG 4 HA ARG 4 9.301 -2.750 0.490
34 HB2 ARG 4 HB2 ARG 4 6.899 -2.421 -1.288
35 HB3 ARG 4 HB3 ARG 4 7.979 -3.797 -1.469
36 HG2 ARG 4 HG2 ARG 4 7.045 -3.274 1.271
37 HG3 ARG 4 HG3 ARG 4 5.807 -3.777 0.119
38 HD2 ARG 4 HD2 ARG 4 6.484 -5.844 0.728
39 HD3 ARG 4 HD3 ARG 4 7.734 -5.548 -0.481
40 HE ARG 4 HE ARG 4 8.477 -4.641 2.131
41 HH11 ARG 4 HH11 ARG 4 8.309 -7.418 0.038
42 HH12 ARG 4 HH12 ARG 4 9.580 -8.270 0.850
43 HH21 ARG 4 HH21 ARG 4 10.152 -5.753 3.209
44 HH22 ARG 4 HH22 ARG 4 10.627 -7.323 2.655
45 H LYS 5 H LYS 5 10.856 -0.768 -0.248
46 HA LYS 5 HA LYS 5 12.091 -1.697 -2.628
47 HB2 LYS 5 HB2 LYS 5 10.166 -0.288 -3.509
48 HB3 LYS 5 HB3 LYS 5 10.991 1.105 -2.822
49 HG2 LYS 5 HG2 LYS 5 11.827 1.222 -4.917
50 HG3 LYS 5 HG3 LYS 5 13.011 0.105 -4.234
51 HD2 LYS 5 HD2 LYS 5 12.346 -1.567 -5.563
52 HD3 LYS 5 HD3 LYS 5 10.639 -1.249 -5.241
53 HE2 LYS 5 HE2 LYS 5 12.298 0.434 -7.106
54 HE3 LYS 5 HE3 LYS 5 11.399 -0.985 -7.642
55 HZ1 LYS 5 HZ1 LYS 5 9.391 0.031 -7.258
56 HZ2 LYS 5 HZ2 LYS 5 10.319 1.346 -7.778
57 HZ3 LYS 5 HZ3 LYS 5 10.016 1.124 -6.129
58 H ASN 6 H ASN 6 11.749 0.917 -0.286
59 HA ASN 6 HA ASN 6 14.201 2.171 -0.583
60 HB2 ASN 6 HB2 ASN 6 12.554 3.146 0.853
61 HB3 ASN 6 HB3 ASN 6 12.519 1.718 1.884
62 HD21 ASN 6 HD21 ASN 6 14.086 1.430 3.419
63 HD22 ASN 6 HD22 ASN 6 15.236 2.650 3.834
64 H GLY 7 H GLY 7 13.411 -0.860 0.977
65 HA2 GLY 7 HA2 GLY 7 14.803 -2.593 1.596
66 HA3 GLY 7 HA3 GLY 7 16.157 -1.669 0.963
67 H ILE 8 H ILE 8 14.482 -2.680 3.755
68 HA ILE 8 HA ILE 8 15.295 -0.739 5.613
69 HB ILE 8 HB ILE 8 14.839 -3.683 6.115
70 HG12 ILE 8 HG12 ILE 8 12.912 -2.622 5.022
71 HG13 ILE 8 HG13 ILE 8 12.546 -3.029 6.695
72 HG21 ILE 8 HG21 ILE 8 15.595 -3.149 8.152
73 HG22 ILE 8 HG22 ILE 8 15.475 -1.418 7.844
74 HG23 ILE 8 HG23 ILE 8 14.050 -2.323 8.353
75 HD11 ILE 8 HD11 ILE 8 13.561 -0.390 6.654
76 HD12 ILE 8 HD12 ILE 8 12.338 -0.526 5.391
77 HD13 ILE 8 HD13 ILE 8 11.935 -0.941 7.057
78 H GLY 9 H GLY 9 16.629 -4.042 5.420
79 HA2 GLY 9 HA2 GLY 9 18.986 -3.410 6.823
80 HA3 GLY 9 HA3 GLY 9 18.741 -4.840 5.831
81 H TYR 10 H TYR 10 18.128 -2.919 3.527
82 HA TYR 10 HA TYR 10 20.671 -3.004 2.334
83 HB2 TYR 10 HB2 TYR 10 18.144 -1.521 1.622
84 HB3 TYR 10 HB3 TYR 10 19.596 -1.433 0.631
85 HD1 TYR 10 HD1 TYR 10 17.013 -3.735 1.947
86 HD2 TYR 10 HD2 TYR 10 20.165 -3.186 -0.859
87 HE1 TYR 10 HE1 TYR 10 16.345 -5.806 0.799
88 HE2 TYR 10 HE2 TYR 10 19.505 -5.254 -2.014
89 HH TYR 10 HH TYR 10 17.612 -6.697 -2.269
90 H ALA 11 H ALA 11 18.818 -0.238 3.601
91 HA ALA 11 HA ALA 11 20.915 1.639 3.183
92 HB1 ALA 11 HB1 ALA 11 18.541 1.862 5.028
93 HB2 ALA 11 HB2 ALA 11 19.542 3.187 4.432
94 HB3 ALA 11 HB3 ALA 11 18.535 2.270 3.312
95 H ILE 12 H ILE 12 19.584 0.230 6.181
96 HA ILE 12 HA ILE 12 21.412 1.284 7.967
97 HB ILE 12 HB ILE 12 20.108 -1.438 8.100
98 HG12 ILE 12 HG12 ILE 12 19.060 0.732 9.768
99 HG13 ILE 12 HG13 ILE 12 18.891 1.035 8.042
100 HG21 ILE 12 HG21 ILE 12 20.383 -0.983 10.611
101 HG22 ILE 12 HG22 ILE 12 21.803 -1.495 9.700
102 HG23 ILE 12 HG23 ILE 12 21.592 0.204 10.122
103 HD11 ILE 12 HD11 ILE 12 17.292 -0.583 9.711
104 HD12 ILE 12 HD12 ILE 12 17.129 -0.291 7.979
105 HD13 ILE 12 HD13 ILE 12 18.104 -1.642 8.558
106 H GLY 13 H GLY 13 21.614 -1.785 6.176
107 HA2 GLY 13 HA2 GLY 13 24.087 -2.611 7.253
108 HA3 GLY 13 HA3 GLY 13 23.392 -3.170 5.739
109 H TYR 14 H TYR 14 23.293 -0.438 4.633
110 HA TYR 14 HA TYR 14 25.687 -0.422 3.229
111 HB2 TYR 14 HB2 TYR 14 23.494 0.798 2.699
112 HB3 TYR 14 HB3 TYR 14 24.085 2.076 3.754
113 HD1 TYR 14 HD2 TYR 14 26.129 3.339 3.137
114 HD2 TYR 14 HD1 TYR 14 24.367 0.507 0.496
115 HE1 TYR 14 HE2 TYR 14 27.400 4.303 1.265
116 HE2 TYR 14 HE1 TYR 14 25.634 1.462 -1.383
117 HH TYR 14 HH TYR 14 27.442 4.415 -1.068
118 H ALA 15 H ALA 15 24.731 1.665 5.953
119 HA ALA 15 HA ALA 15 27.242 2.966 6.156
120 HB1 ALA 15 HB1 ALA 15 24.876 2.739 7.984
121 HB2 ALA 15 HB2 ALA 15 26.349 3.572 8.482
122 HB3 ALA 15 HB3 ALA 15 25.446 4.139 7.076
123 H PHE 16 H PHE 16 25.822 0.166 7.777
124 HA PHE 16 HA PHE 16 27.760 -0.229 9.741
125 HB2 PHE 16 HB2 PHE 16 25.650 -1.830 8.480
126 HB3 PHE 16 HB3 PHE 16 26.999 -2.786 9.084
127 HD1 PHE 16 HD2 PHE 16 27.828 -1.717 11.512
128 HD2 PHE 16 HD1 PHE 16 23.880 -1.775 9.921
129 HE1 PHE 16 HE2 PHE 16 26.911 -1.572 13.790
130 HE2 PHE 16 HE1 PHE 16 22.957 -1.628 12.197
131 HZ PHE 16 HZ PHE 16 24.473 -1.528 14.135
132 H GLY 17 H GLY 17 27.554 -1.705 6.500
133 HA2 GLY 17 HA2 GLY 17 29.899 -3.187 6.581
134 HA3 GLY 17 HA3 GLY 17 29.191 -2.526 5.115
135 H ALA 18 H ALA 18 29.465 0.241 5.939
136 HA ALA 18 HA ALA 18 32.152 0.663 5.045
137 HB1 ALA 18 HB1 ALA 18 31.047 2.425 4.235
138 HB2 ALA 18 HB2 ALA 18 29.753 2.271 5.423
139 HB3 ALA 18 HB3 ALA 18 31.237 3.127 5.842
140 H VAL 19 H VAL 19 30.415 1.156 8.093
141 HA VAL 19 HA VAL 19 32.370 2.464 9.552
142 HB VAL 19 HB VAL 19 30.380 0.407 10.518
143 HG11 VAL 19 HG11 VAL 19 31.816 0.471 12.303
144 HG12 VAL 19 HG12 VAL 19 32.340 2.121 11.964
145 HG13 VAL 19 HG13 VAL 19 30.762 1.828 12.696
146 HG21 VAL 19 HG21 VAL 19 30.027 3.004 9.518
147 HG22 VAL 19 HG22 VAL 19 28.838 1.999 10.347
148 HG23 VAL 19 HG23 VAL 19 29.837 3.124 11.267
149 H GLU 20 H GLU 20 32.165 -0.890 8.626
150 HA GLU 20 HA GLU 20 34.157 -1.818 10.464
151 HB2 GLU 20 HB2 GLU 20 33.466 -3.247 7.921
152 HB3 GLU 20 HB3 GLU 20 33.886 -3.918 9.491
153 HG2 GLU 20 HG2 GLU 20 31.617 -2.642 10.137
154 HG3 GLU 20 HG3 GLU 20 31.284 -3.016 8.447
155 H ARG 21 H ARG 21 34.121 -1.047 6.997
156 HA ARG 21 HA ARG 21 36.776 -1.700 6.432
157 HB2 ARG 21 HB2 ARG 21 34.647 -0.132 5.157
158 HB3 ARG 21 HB3 ARG 21 36.271 0.403 4.746
159 HG2 ARG 21 HG2 ARG 21 36.105 -1.147 3.137
160 HG3 ARG 21 HG3 ARG 21 36.538 -2.265 4.432
161 HD2 ARG 21 HD2 ARG 21 34.273 -2.869 4.789
162 HD3 ARG 21 HD3 ARG 21 33.692 -1.545 3.781
163 HE ARG 21 HE ARG 21 35.270 -3.133 2.158
164 HH11 ARG 21 HH11 ARG 21 32.349 -3.474 4.021
165 HH12 ARG 21 HH12 ARG 21 31.670 -4.680 2.979
166 HH21 ARG 21 HH21 ARG 21 34.388 -4.720 0.779
167 HH22 ARG 21 HH22 ARG 21 32.831 -5.389 1.135
168 H ALA 22 H ALA 22 35.364 1.184 7.837
169 HA ALA 22 HA ALA 22 37.495 2.958 7.578
170 HB1 ALA 22 HB1 ALA 22 36.417 4.299 9.115
171 HB2 ALA 22 HB2 ALA 22 35.092 3.302 8.512
172 HB3 ALA 22 HB3 ALA 22 35.840 2.929 10.065
173 H VAL 23 H VAL 23 36.793 0.667 10.209
174 HA VAL 23 HA VAL 23 39.257 1.282 11.572
175 HB VAL 23 HB VAL 23 37.560 -1.121 12.167
176 HG11 VAL 23 HG11 VAL 23 39.842 -0.170 13.303
177 HG12 VAL 23 HG12 VAL 23 38.605 0.573 14.319
178 HG13 VAL 23 HG13 VAL 23 38.653 -1.180 14.125
179 HG21 VAL 23 HG21 VAL 23 35.849 0.428 12.112
180 HG22 VAL 23 HG22 VAL 23 36.384 0.549 13.788
181 HG23 VAL 23 HG23 VAL 23 36.894 1.758 12.611
182 H LEU 24 H LEU 24 38.109 -1.108 9.311
183 HA LEU 24 HA LEU 24 39.929 -3.158 9.658
184 HB2 LEU 24 HB2 LEU 24 37.945 -2.655 7.904
185 HB3 LEU 24 HB3 LEU 24 39.347 -2.409 6.864
186 HG LEU 24 HG LEU 24 39.811 -4.832 8.192
187 HD11 LEU 24 HD11 LEU 24 37.713 -6.054 7.351
188 HD12 LEU 24 HD12 LEU 24 36.939 -4.472 7.420
189 HD13 LEU 24 HD13 LEU 24 37.617 -5.185 8.883
190 HD21 LEU 24 HD21 LEU 24 39.115 -3.955 5.431
191 HD22 LEU 24 HD22 LEU 24 39.151 -5.680 5.797
192 HD23 LEU 24 HD23 LEU 24 40.595 -4.696 6.042
193 H GLY 25 H GLY 25 40.353 -0.048 8.080
194 HA2 GLY 25 HA2 GLY 25 42.925 -0.706 6.973
195 HA3 GLY 25 HA3 GLY 25 42.188 0.889 7.027
196 H GLY 26 H GLY 26 41.832 1.318 9.694
197 HA2 GLY 26 HA2 GLY 26 42.927 1.626 11.732
198 HA3 GLY 26 HA3 GLY 26 44.309 0.746 11.095
199 H SER 27 H SER 27 43.698 3.529 12.400
200 HA SER 27 HA SER 27 45.903 4.870 11.263
201 HB2 SER 27 HB2 SER 27 44.759 5.581 9.396
202 HB3 SER 27 HB3 SER 27 43.198 5.567 10.216
203 HG SER 27 HG SER 27 44.358 7.682 9.691
204 H ARG 28 H ARG 28 46.447 6.780 12.386
205 HA ARG 28 HA ARG 28 45.321 6.909 15.038
206 HB2 ARG 28 HB2 ARG 28 47.091 8.625 15.417
207 HB3 ARG 28 HB3 ARG 28 47.710 7.085 14.837
208 HG2 ARG 28 HG2 ARG 28 47.250 8.554 12.529
209 HG3 ARG 28 HG3 ARG 28 47.922 9.718 13.674
210 HD2 ARG 28 HD2 ARG 28 49.726 8.708 12.454
211 HD3 ARG 28 HD3 ARG 28 49.775 8.129 14.118
212 HE ARG 28 HE ARG 28 48.295 6.347 12.494
213 HH11 ARG 28 HH11 ARG 28 51.551 7.372 13.177
214 HH12 ARG 28 HH12 ARG 28 52.262 5.857 12.729
215 HH21 ARG 28 HH21 ARG 28 49.219 4.347 11.901
216 HH22 ARG 28 HH22 ARG 28 50.934 4.137 12.002
217 H ASP 29 H ASP 29 43.204 7.560 13.833
218 HA ASP 29 HA ASP 29 42.559 10.171 14.575
219 HB2 ASP 29 HB2 ASP 29 43.922 10.133 12.131
220 HB3 ASP 29 HB3 ASP 29 42.224 10.321 11.701
221 H TYR 30 H TYR 30 40.346 10.780 13.952
222 HA TYR 30 HA TYR 30 38.131 10.232 13.933
223 HB2 TYR 30 HB2 TYR 30 38.937 8.422 11.651
224 HB3 TYR 30 HB3 TYR 30 37.355 9.142 11.928
225 HD1 TYR 30 HD2 TYR 30 37.281 11.750 11.953
226 HD2 TYR 30 HD1 TYR 30 40.438 9.477 10.230
227 HE1 TYR 30 HE2 TYR 30 37.917 13.687 10.577
228 HE2 TYR 30 HE1 TYR 30 41.084 11.409 8.850
229 HH TYR 30 HH TYR 30 39.198 14.404 8.887
230 H ASN 31 H ASN 31 38.869 9.036 16.013
231 HA ASN 31 HA ASN 31 39.130 6.287 16.177
232 HB2 ASN 31 HB2 ASN 31 38.639 6.483 18.472
233 HB3 ASN 31 HB3 ASN 31 39.317 8.049 18.037
234 HD21 ASN 31 HD21 ASN 31 37.969 9.847 17.923
235 HD22 ASN 31 HD22 ASN 31 36.400 9.860 18.647
236 H LYS 32 H LYS 32 36.279 8.216 15.642
237 HA LYS 32 HA LYS 32 34.111 7.690 15.194
238 HB2 LYS 32 HB2 LYS 32 35.739 5.612 13.987
239 HB3 LYS 32 HB3 LYS 32 34.148 5.006 14.430
240 HG2 LYS 32 HG2 LYS 32 33.263 7.112 13.228
241 HG3 LYS 32 HG3 LYS 32 34.871 7.173 12.501
242 HD2 LYS 32 HD2 LYS 32 34.027 5.789 10.954
243 HD3 LYS 32 HD3 LYS 32 34.180 4.538 12.189
244 HE2 LYS 32 HE2 LYS 32 31.731 6.235 11.717
245 HE3 LYS 32 HE3 LYS 32 31.945 4.580 11.149
246 HZ1 LYS 32 HZ1 LYS 32 32.452 4.263 13.730
247 HZ2 LYS 32 HZ2 LYS 32 30.899 4.123 13.076
248 HZ3 LYS 32 HZ3 LYS 32 31.374 5.563 13.825
Start of MODEL 9
1 H1 ARG 1 H ARG 1 6.509 8.606 -2.109
2 HA ARG 1 HA ARG 1 8.843 8.864 -2.468
3 HB2 ARG 1 HB2 ARG 1 8.756 9.248 0.497
4 HB3 ARG 1 HB3 ARG 1 10.258 8.725 -0.254
5 HG2 ARG 1 HG2 ARG 1 10.721 10.820 -0.781
6 HG3 ARG 1 HG3 ARG 1 9.257 10.899 -1.764
7 HD2 ARG 1 HD2 ARG 1 8.157 11.207 0.647
8 HD3 ARG 1 HD3 ARG 1 9.757 11.861 0.993
9 HE ARG 1 HE ARG 1 8.737 12.985 -1.390
10 HH11 ARG 1 HH11 ARG 1 8.335 13.084 2.066
11 HH12 ARG 1 HH12 ARG 1 7.755 14.717 2.083
12 HH21 ARG 1 HH21 ARG 1 7.975 15.135 -1.381
13 HH22 ARG 1 HH22 ARG 1 7.549 15.882 0.121
14 H ARG 2 H ARG 2 7.859 6.703 -3.143
15 HA ARG 2 HA ARG 2 8.263 4.427 -1.483
16 HB2 ARG 2 HB2 ARG 2 7.924 4.604 -4.483
17 HB3 ARG 2 HB3 ARG 2 7.822 3.128 -3.532
18 HG2 ARG 2 HG2 ARG 2 6.045 5.232 -2.581
19 HG3 ARG 2 HG3 ARG 2 5.718 4.728 -4.240
20 HD2 ARG 2 HD2 ARG 2 6.208 2.535 -2.349
21 HD3 ARG 2 HD3 ARG 2 4.757 3.483 -2.026
22 HE ARG 2 HE ARG 2 5.135 1.615 -4.134
23 HH11 ARG 2 HH11 ARG 2 3.579 4.627 -3.341
24 HH12 ARG 2 HH12 ARG 2 2.313 4.429 -4.507
25 HH21 ARG 2 HH21 ARG 2 3.473 1.344 -5.672
26 HH22 ARG 2 HH22 ARG 2 2.253 2.561 -5.832
27 H SER 3 H SER 3 10.394 4.473 -0.756
28 HA SER 3 HA SER 3 12.295 3.217 -2.479
29 HB2 SER 3 HB2 SER 3 12.283 5.980 -2.647
30 HB3 SER 3 HB3 SER 3 13.564 5.654 -1.480
31 HG SER 3 HG SER 3 14.754 4.876 -3.028
32 H ARG 4 H ARG 4 11.702 4.968 0.528
33 HA ARG 4 HA ARG 4 13.838 3.574 1.903
34 HB2 ARG 4 HB2 ARG 4 12.898 6.023 2.277
35 HB3 ARG 4 HB3 ARG 4 11.789 5.186 3.354
36 HG2 ARG 4 HG2 ARG 4 13.384 5.536 4.884
37 HG3 ARG 4 HG3 ARG 4 14.154 4.132 4.142
38 HD2 ARG 4 HD2 ARG 4 15.463 5.593 2.701
39 HD3 ARG 4 HD3 ARG 4 14.665 7.007 3.388
40 HE ARG 4 HE ARG 4 16.096 6.889 5.160
41 HH11 ARG 4 HH11 ARG 4 16.057 3.803 3.549
42 HH12 ARG 4 HH12 ARG 4 17.327 3.134 4.520
43 HH21 ARG 4 HH21 ARG 4 17.768 6.020 6.444
44 HH22 ARG 4 HH22 ARG 4 18.299 4.395 6.167
45 H LYS 5 H LYS 5 12.309 1.633 0.987
46 HA LYS 5 HA LYS 5 11.473 0.246 3.294
47 HB2 LYS 5 HB2 LYS 5 9.541 1.859 2.955
48 HB3 LYS 5 HB3 LYS 5 9.186 0.987 1.470
49 HG2 LYS 5 HG2 LYS 5 9.021 -1.100 2.876
50 HG3 LYS 5 HG3 LYS 5 9.076 -0.044 4.289
51 HD2 LYS 5 HD2 LYS 5 6.782 -0.465 3.826
52 HD3 LYS 5 HD3 LYS 5 7.113 1.191 3.311
53 HE2 LYS 5 HE2 LYS 5 7.661 -0.270 1.052
54 HE3 LYS 5 HE3 LYS 5 6.293 -1.136 1.749
55 HZ1 LYS 5 HZ1 LYS 5 6.142 1.784 1.572
56 HZ2 LYS 5 HZ2 LYS 5 4.907 0.633 1.467
57 HZ3 LYS 5 HZ3 LYS 5 5.939 0.888 0.151
58 H ASN 6 H ASN 6 11.134 0.571 -0.209
59 HA ASN 6 HA ASN 6 10.603 -2.134 -0.773
60 HB2 ASN 6 HB2 ASN 6 11.204 0.275 -2.268
61 HB3 ASN 6 HB3 ASN 6 12.016 -1.122 -2.968
62 HD21 ASN 6 HD21 ASN 6 8.859 -0.151 -1.682
63 HD22 ASN 6 HD22 ASN 6 7.926 -1.010 -2.855
64 H GLY 7 H GLY 7 13.557 -0.411 -0.106
65 HA2 GLY 7 HA2 GLY 7 15.212 -2.651 -0.976
66 HA3 GLY 7 HA3 GLY 7 15.787 -1.102 -0.376
67 H ILE 8 H ILE 8 14.636 -4.278 0.501
68 HA ILE 8 HA ILE 8 14.741 -3.887 3.321
69 HB ILE 8 HB ILE 8 14.878 -6.465 1.753
70 HG12 ILE 8 HG12 ILE 8 12.380 -6.203 2.979
71 HG13 ILE 8 HG13 ILE 8 12.716 -4.611 2.307
72 HG21 ILE 8 HG21 ILE 8 14.319 -5.929 4.665
73 HG22 ILE 8 HG22 ILE 8 14.068 -7.481 3.868
74 HG23 ILE 8 HG23 ILE 8 15.692 -6.803 3.987
75 HD11 ILE 8 HD11 ILE 8 13.300 -6.801 0.474
76 HD12 ILE 8 HD12 ILE 8 11.606 -6.699 0.957
77 HD13 ILE 8 HD13 ILE 8 12.397 -5.308 0.217
78 H GLY 9 H GLY 9 16.763 -6.103 1.395
79 HA2 GLY 9 HA2 GLY 9 18.830 -6.191 3.323
80 HA3 GLY 9 HA3 GLY 9 18.949 -6.755 1.663
81 H TYR 10 H TYR 10 18.116 -3.917 0.846
82 HA TYR 10 HA TYR 10 20.711 -2.962 0.308
83 HB2 TYR 10 HB2 TYR 10 17.976 -1.723 0.082
84 HB3 TYR 10 HB3 TYR 10 19.431 -0.822 -0.328
85 HD1 TYR 10 HD2 TYR 10 17.391 -3.775 -1.213
86 HD2 TYR 10 HD1 TYR 10 20.568 -1.196 -2.381
87 HE1 TYR 10 HE2 TYR 10 17.362 -4.768 -3.463
88 HE2 TYR 10 HE1 TYR 10 20.547 -2.181 -4.634
89 HH TYR 10 HH TYR 10 19.292 -3.455 -6.075
90 H ALA 11 H ALA 11 18.204 -1.687 2.499
91 HA ALA 11 HA ALA 11 19.858 0.306 3.638
92 HB1 ALA 11 HB1 ALA 11 17.276 0.075 3.647
93 HB2 ALA 11 HB2 ALA 11 17.539 -0.882 5.106
94 HB3 ALA 11 HB3 ALA 11 18.084 0.794 5.041
95 H ILE 12 H ILE 12 18.690 -2.766 5.035
96 HA ILE 12 HA ILE 12 20.175 -2.721 7.369
97 HB ILE 12 HB ILE 12 19.422 -5.151 5.741
98 HG12 ILE 12 HG12 ILE 12 17.889 -4.488 8.155
99 HG13 ILE 12 HG13 ILE 12 17.743 -3.294 6.870
100 HG21 ILE 12 HG21 ILE 12 21.030 -5.878 7.284
101 HG22 ILE 12 HG22 ILE 12 20.411 -4.825 8.555
102 HG23 ILE 12 HG23 ILE 12 19.482 -6.236 8.049
103 HD11 ILE 12 HD11 ILE 12 17.457 -5.766 5.614
104 HD12 ILE 12 HD12 ILE 12 16.526 -5.880 7.109
105 HD13 ILE 12 HD13 ILE 12 16.196 -4.582 5.961
106 H GLY 13 H GLY 13 21.063 -4.157 4.233
107 HA2 GLY 13 HA2 GLY 13 23.585 -5.123 5.021
108 HA3 GLY 13 HA3 GLY 13 23.100 -4.767 3.370
109 H TYR 14 H TYR 14 22.540 -1.944 4.013
110 HA TYR 14 HA TYR 14 24.980 -0.823 3.284
111 HB2 TYR 14 HB2 TYR 14 22.632 0.193 3.134
112 HB3 TYR 14 HB3 TYR 14 22.861 0.686 4.808
113 HD1 TYR 14 HD2 TYR 14 24.643 2.316 5.381
114 HD2 TYR 14 HD1 TYR 14 23.710 1.347 1.344
115 HE1 TYR 14 HE2 TYR 14 25.826 4.337 4.628
116 HE2 TYR 14 HE1 TYR 14 24.891 3.364 0.580
117 HH TYR 14 HH TYR 14 25.508 5.861 2.205
118 H ALA 15 H ALA 15 23.417 -0.829 6.486
119 HA ALA 15 HA ALA 15 25.577 0.426 7.822
120 HB1 ALA 15 HB1 ALA 15 23.191 -1.133 8.754
121 HB2 ALA 15 HB2 ALA 15 24.419 -0.564 9.887
122 HB3 ALA 15 HB3 ALA 15 23.519 0.594 8.907
123 H PHE 16 H PHE 16 24.692 -2.949 7.293
124 HA PHE 16 HA PHE 16 26.517 -4.157 9.021
125 HB2 PHE 16 HB2 PHE 16 24.806 -4.977 6.841
126 HB3 PHE 16 HB3 PHE 16 26.345 -5.827 6.771
127 HD1 PHE 16 HD1 PHE 16 27.150 -6.579 9.267
128 HD2 PHE 16 HD2 PHE 16 23.137 -6.079 7.941
129 HE1 PHE 16 HE1 PHE 16 26.381 -8.119 11.026
130 HE2 PHE 16 HE2 PHE 16 22.361 -7.616 9.698
131 HZ PHE 16 HZ PHE 16 23.983 -8.638 11.244
132 H GLY 17 H GLY 17 26.882 -3.557 5.520
133 HA2 GLY 17 HA2 GLY 17 29.501 -4.425 5.243
134 HA3 GLY 17 HA3 GLY 17 28.755 -3.186 4.245
135 H ALA 18 H ALA 18 28.306 -1.410 6.552
136 HA ALA 18 HA ALA 18 30.831 -0.062 6.470
137 HB1 ALA 18 HB1 ALA 18 28.261 0.528 7.921
138 HB2 ALA 18 HB2 ALA 18 29.684 1.568 7.998
139 HB3 ALA 18 HB3 ALA 18 28.877 1.290 6.455
140 H VAL 19 H VAL 19 28.991 -1.799 8.949
141 HA VAL 19 HA VAL 19 30.553 -1.268 11.170
142 HB VAL 19 HB VAL 19 29.111 -3.827 10.468
143 HG11 VAL 19 HG11 VAL 19 30.386 -2.908 13.031
144 HG12 VAL 19 HG12 VAL 19 29.122 -4.139 12.986
145 HG13 VAL 19 HG13 VAL 19 30.653 -4.414 12.154
146 HG21 VAL 19 HG21 VAL 19 27.740 -2.514 12.476
147 HG22 VAL 19 HG22 VAL 19 28.256 -1.212 11.402
148 HG23 VAL 19 HG23 VAL 19 27.302 -2.553 10.768
149 H GLU 20 H GLU 20 31.183 -3.378 8.470
150 HA GLU 20 HA GLU 20 33.315 -4.824 9.724
151 HB2 GLU 20 HB2 GLU 20 33.029 -4.554 6.752
152 HB3 GLU 20 HB3 GLU 20 33.577 -5.935 7.691
153 HG2 GLU 20 HG2 GLU 20 30.773 -4.953 7.292
154 HG3 GLU 20 HG3 GLU 20 31.462 -6.517 6.860
155 H ARG 21 H ARG 21 33.170 -2.220 7.303
156 HA ARG 21 HA ARG 21 35.933 -1.890 6.988
157 HB2 ARG 21 HB2 ARG 21 33.519 -0.260 6.419
158 HB3 ARG 21 HB3 ARG 21 35.055 0.595 6.475
159 HG2 ARG 21 HG2 ARG 21 35.393 -1.767 4.925
160 HG3 ARG 21 HG3 ARG 21 33.958 -0.912 4.355
161 HD2 ARG 21 HD2 ARG 21 35.256 1.134 4.114
162 HD3 ARG 21 HD3 ARG 21 36.688 0.314 4.736
163 HE ARG 21 HE ARG 21 37.025 -0.556 2.655
164 HH11 ARG 21 HH11 ARG 21 33.706 0.462 2.911
165 HH12 ARG 21 HH12 ARG 21 33.343 0.142 1.248
166 HH21 ARG 21 HH21 ARG 21 36.560 -0.981 0.463
167 HH22 ARG 21 HH22 ARG 21 34.967 -0.680 -0.144
168 H ALA 22 H ALA 22 33.716 -0.693 9.409
169 HA ALA 22 HA ALA 22 35.256 1.364 10.507
170 HB1 ALA 22 HB1 ALA 22 33.336 1.521 11.617
171 HB2 ALA 22 HB2 ALA 22 32.912 -0.153 11.256
172 HB3 ALA 22 HB3 ALA 22 33.918 0.220 12.656
173 H VAL 23 H VAL 23 35.150 -2.092 11.333
174 HA VAL 23 HA VAL 23 37.262 -1.820 13.280
175 HB VAL 23 HB VAL 23 36.317 -4.446 12.174
176 HG11 VAL 23 HG11 VAL 23 37.090 -5.355 14.136
177 HG12 VAL 23 HG12 VAL 23 38.228 -4.024 13.921
178 HG13 VAL 23 HG13 VAL 23 36.877 -3.858 15.042
179 HG21 VAL 23 HG21 VAL 23 34.771 -2.476 13.738
180 HG22 VAL 23 HG22 VAL 23 34.217 -3.749 12.651
181 HG23 VAL 23 HG23 VAL 23 34.702 -4.146 14.299
182 H LEU 24 H LEU 24 36.957 -2.729 9.928
183 HA LEU 24 HA LEU 24 39.298 -4.147 9.512
184 HB2 LEU 24 HB2 LEU 24 37.305 -3.237 7.928
185 HB3 LEU 24 HB3 LEU 24 38.619 -2.168 7.438
186 HG LEU 24 HG LEU 24 39.735 -4.719 7.397
187 HD11 LEU 24 HD11 LEU 24 38.096 -5.820 5.770
188 HD12 LEU 24 HD12 LEU 24 36.884 -4.744 6.466
189 HD13 LEU 24 HD13 LEU 24 37.727 -5.905 7.493
190 HD21 LEU 24 HD21 LEU 24 39.286 -4.301 4.822
191 HD22 LEU 24 HD22 LEU 24 40.448 -3.335 5.732
192 HD23 LEU 24 HD23 LEU 24 38.833 -2.702 5.412
193 H GLY 25 H GLY 25 38.813 -0.698 9.914
194 HA2 GLY 25 HA2 GLY 25 41.747 -0.371 9.888
195 HA3 GLY 25 HA3 GLY 25 40.698 0.793 9.092
196 H GLY 26 H GLY 26 39.874 -0.742 12.131
197 HA2 GLY 26 HA2 GLY 26 39.767 0.083 14.281
198 HA3 GLY 26 HA3 GLY 26 40.865 1.363 13.790
199 H SER 27 H SER 27 38.434 1.444 15.465
200 HA SER 27 HA SER 27 36.287 2.609 14.079
201 HB2 SER 27 HB2 SER 27 36.677 1.820 16.645
202 HB3 SER 27 HB3 SER 27 36.774 3.570 16.834
203 HG SER 27 HG SER 27 34.662 2.243 15.485
204 H ARG 28 H ARG 28 39.353 3.862 15.014
205 HA ARG 28 HA ARG 28 39.014 6.244 13.536
206 HB2 ARG 28 HB2 ARG 28 39.198 7.859 15.422
207 HB3 ARG 28 HB3 ARG 28 37.664 7.000 15.380
208 HG2 ARG 28 HG2 ARG 28 38.804 5.387 17.055
209 HG3 ARG 28 HG3 ARG 28 39.934 6.721 17.299
210 HD2 ARG 28 HD2 ARG 28 36.938 6.855 17.623
211 HD3 ARG 28 HD3 ARG 28 38.115 6.774 18.933
212 HE ARG 28 HE ARG 28 38.729 8.973 17.309
213 HH11 ARG 28 HH11 ARG 28 36.272 7.903 19.531
214 HH12 ARG 28 HH12 ARG 28 35.844 9.505 20.033
215 HH21 ARG 28 HH21 ARG 28 38.175 11.087 17.962
216 HH22 ARG 28 HH22 ARG 28 36.926 11.316 19.139
217 H ASP 29 H ASP 29 40.972 6.605 12.751
218 HA ASP 29 HA ASP 29 43.296 5.341 13.620
219 HB2 ASP 29 HB2 ASP 29 43.221 7.952 12.103
220 HB3 ASP 29 HB3 ASP 29 44.480 6.722 12.060
221 H TYR 30 H TYR 30 42.482 8.800 13.961
222 HA TYR 30 HA TYR 30 43.514 8.892 16.631
223 HB2 TYR 30 HB2 TYR 30 45.185 10.782 15.868
224 HB3 TYR 30 HB3 TYR 30 45.670 9.090 15.838
225 HD1 TYR 30 HD2 TYR 30 45.812 7.879 13.696
226 HD2 TYR 30 HD1 TYR 30 44.925 12.037 13.840
227 HE1 TYR 30 HE2 TYR 30 46.348 8.070 11.303
228 HE2 TYR 30 HE1 TYR 30 45.457 12.240 11.448
229 HH TYR 30 HH TYR 30 45.419 10.306 9.384
230 H ASN 31 H ASN 31 42.760 10.845 13.758
231 HA ASN 31 HA ASN 31 40.569 12.148 14.895
232 HB2 ASN 31 HB2 ASN 31 41.604 14.453 15.135
233 HB3 ASN 31 HB3 ASN 31 42.018 13.294 16.395
234 HD21 ASN 31 HD21 ASN 31 44.094 12.863 16.774
235 HD22 ASN 31 HD22 ASN 31 45.417 13.439 15.824
236 H LYS 32 H LYS 32 40.958 11.002 12.480
237 HA LYS 32 HA LYS 32 40.198 13.061 10.686
238 HB2 LYS 32 HB2 LYS 32 43.022 12.388 10.811
239 HB3 LYS 32 HB3 LYS 32 42.356 12.092 9.210
240 HG2 LYS 32 HG2 LYS 32 41.330 14.557 9.854
241 HG3 LYS 32 HG3 LYS 32 42.950 14.601 10.553
242 HD2 LYS 32 HD2 LYS 32 43.977 14.235 8.480
243 HD3 LYS 32 HD3 LYS 32 42.483 13.650 7.744
244 HE2 LYS 32 HE2 LYS 32 41.844 15.713 7.173
245 HE3 LYS 32 HE3 LYS 32 42.237 16.360 8.765
246 HZ1 LYS 32 HZ1 LYS 32 43.973 17.346 7.838
247 HZ2 LYS 32 HZ2 LYS 32 43.687 16.592 6.351
248 HZ3 LYS 32 HZ3 LYS 32 44.649 15.829 7.514
Start of MODEL 10
1 H1 ARG 1 H ARG 1 4.910 0.865 -3.544
2 HA ARG 1 HA ARG 1 6.654 -0.890 -4.104
3 HB2 ARG 1 HB2 ARG 1 7.203 0.895 -6.081
4 HB3 ARG 1 HB3 ARG 1 8.459 1.296 -4.917
5 HG2 ARG 1 HG2 ARG 1 9.471 -0.768 -5.094
6 HG3 ARG 1 HG3 ARG 1 8.004 -1.551 -5.686
7 HD2 ARG 1 HD2 ARG 1 9.030 -1.400 -7.684
8 HD3 ARG 1 HD3 ARG 1 8.427 0.256 -7.649
9 HE ARG 1 HE ARG 1 10.855 0.363 -6.390
10 HH11 ARG 1 HH11 ARG 1 9.717 -0.687 -9.508
11 HH12 ARG 1 HH12 ARG 1 11.195 -0.300 -10.323
12 HH21 ARG 1 HH21 ARG 1 12.807 0.877 -7.452
13 HH22 ARG 1 HH22 ARG 1 12.953 0.589 -9.152
14 H ARG 2 H ARG 2 7.007 -1.221 -1.995
15 HA ARG 2 HA ARG 2 7.509 0.773 -0.083
16 HB2 ARG 2 HB2 ARG 2 8.256 -1.140 1.363
17 HB3 ARG 2 HB3 ARG 2 6.663 -1.338 0.644
18 HG2 ARG 2 HG2 ARG 2 8.709 -2.451 -1.055
19 HG3 ARG 2 HG3 ARG 2 8.779 -3.137 0.569
20 HD2 ARG 2 HD2 ARG 2 6.081 -2.879 -0.573
21 HD3 ARG 2 HD3 ARG 2 7.140 -4.020 -1.400
22 HE ARG 2 HE ARG 2 5.974 -4.318 1.205
23 HH11 ARG 2 HH11 ARG 2 8.622 -5.241 -0.857
24 HH12 ARG 2 HH12 ARG 2 8.933 -6.723 -0.014
25 HH21 ARG 2 HH21 ARG 2 6.373 -6.265 2.323
26 HH22 ARG 2 HH22 ARG 2 7.652 -7.304 1.795
27 H SER 3 H SER 3 9.268 1.934 0.305
28 HA SER 3 HA SER 3 11.902 0.828 0.209
29 HB2 SER 3 HB2 SER 3 10.892 1.999 -2.192
30 HB3 SER 3 HB3 SER 3 12.143 3.060 -1.544
31 HG SER 3 HG SER 3 12.353 0.319 -2.220
32 H ARG 4 H ARG 4 10.044 2.331 1.968
33 HA ARG 4 HA ARG 4 11.984 4.213 2.985
34 HB2 ARG 4 HB2 ARG 4 9.349 5.093 1.843
35 HB3 ARG 4 HB3 ARG 4 10.108 5.997 3.147
36 HG2 ARG 4 HG2 ARG 4 11.067 7.135 1.475
37 HG3 ARG 4 HG3 ARG 4 12.179 5.766 1.424
38 HD2 ARG 4 HD2 ARG 4 11.590 5.739 -0.757
39 HD3 ARG 4 HD3 ARG 4 10.222 4.812 -0.142
40 HE ARG 4 HE ARG 4 9.477 7.468 -0.016
41 HH11 ARG 4 HH11 ARG 4 10.427 5.196 -2.477
42 HH12 ARG 4 HH12 ARG 4 9.483 5.948 -3.720
43 HH21 ARG 4 HH21 ARG 4 8.230 8.468 -1.644
44 HH22 ARG 4 HH22 ARG 4 8.234 7.810 -3.245
45 H LYS 5 H LYS 5 10.590 1.722 3.782
46 HA LYS 5 HA LYS 5 9.959 2.522 6.475
47 HB2 LYS 5 HB2 LYS 5 7.840 2.187 4.603
48 HB3 LYS 5 HB3 LYS 5 7.781 0.837 5.729
49 HG2 LYS 5 HG2 LYS 5 8.170 2.992 7.384
50 HG3 LYS 5 HG3 LYS 5 7.109 3.638 6.130
51 HD2 LYS 5 HD2 LYS 5 5.761 1.447 6.515
52 HD3 LYS 5 HD3 LYS 5 6.628 1.394 8.051
53 HE2 LYS 5 HE2 LYS 5 4.629 2.521 8.531
54 HE3 LYS 5 HE3 LYS 5 5.838 3.796 8.385
55 HZ1 LYS 5 HZ1 LYS 5 5.026 4.424 6.306
56 HZ2 LYS 5 HZ2 LYS 5 3.629 4.144 7.217
57 HZ3 LYS 5 HZ3 LYS 5 4.151 2.991 6.095
58 H ASN 6 H ASN 6 9.848 -0.112 4.097
59 HA ASN 6 HA ASN 6 10.022 -2.247 5.897
60 HB2 ASN 6 HB2 ASN 6 10.244 -1.858 3.033
61 HB3 ASN 6 HB3 ASN 6 11.405 -3.055 3.601
62 HD21 ASN 6 HD21 ASN 6 8.141 -2.378 2.911
63 HD22 ASN 6 HD22 ASN 6 7.485 -3.912 3.362
64 H GLY 7 H GLY 7 12.428 -0.034 4.734
65 HA2 GLY 7 HA2 GLY 7 14.402 -1.354 6.462
66 HA3 GLY 7 HA3 GLY 7 14.836 -1.014 4.794
67 H ILE 8 H ILE 8 13.747 0.524 7.795
68 HA ILE 8 HA ILE 8 14.097 3.180 7.109
69 HB ILE 8 HB ILE 8 14.741 1.976 9.802
70 HG12 ILE 8 HG12 ILE 8 12.148 3.182 9.668
71 HG13 ILE 8 HG13 ILE 8 12.288 2.004 8.367
72 HG21 ILE 8 HG21 ILE 8 15.475 4.165 9.917
73 HG22 ILE 8 HG22 ILE 8 14.216 4.753 8.832
74 HG23 ILE 8 HG23 ILE 8 13.812 4.300 10.488
75 HD11 ILE 8 HD11 ILE 8 12.797 0.261 9.921
76 HD12 ILE 8 HD12 ILE 8 12.887 1.414 11.253
77 HD13 ILE 8 HD13 ILE 8 11.342 1.095 10.466
78 H GLY 9 H GLY 9 16.499 0.868 8.319
79 HA2 GLY 9 HA2 GLY 9 18.596 2.701 7.355
80 HA3 GLY 9 HA3 GLY 9 18.719 1.982 8.954
81 H TYR 10 H TYR 10 17.321 0.082 6.442
82 HA TYR 10 HA TYR 10 19.380 -1.890 6.692
83 HB2 TYR 10 HB2 TYR 10 16.860 -1.662 5.078
84 HB3 TYR 10 HB3 TYR 10 18.013 -2.950 4.746
85 HD1 TYR 10 HD1 TYR 10 16.451 -1.407 7.780
86 HD2 TYR 10 HD2 TYR 10 17.499 -4.973 5.709
87 HE1 TYR 10 HE1 TYR 10 15.471 -2.743 9.598
88 HE2 TYR 10 HE2 TYR 10 16.521 -6.319 7.520
89 HH TYR 10 HH TYR 10 16.094 -5.758 10.204
90 H ALA 11 H ALA 11 18.158 -0.075 3.872
91 HA ALA 11 HA ALA 11 20.366 -0.786 2.224
92 HB1 ALA 11 HB1 ALA 11 19.220 0.203 0.559
93 HB2 ALA 11 HB2 ALA 11 17.895 0.182 1.724
94 HB3 ALA 11 HB3 ALA 11 18.862 1.641 1.515
95 H ILE 12 H ILE 12 19.454 2.253 3.846
96 HA ILE 12 HA ILE 12 21.609 3.808 3.066
97 HB ILE 12 HB ILE 12 20.176 3.883 5.723
98 HG12 ILE 12 HG12 ILE 12 19.438 5.988 3.940
99 HG13 ILE 12 HG13 ILE 12 19.287 4.460 3.080
100 HG21 ILE 12 HG21 ILE 12 21.865 5.293 6.214
101 HG22 ILE 12 HG22 ILE 12 22.275 5.560 4.520
102 HG23 ILE 12 HG23 ILE 12 20.923 6.428 5.247
103 HD11 ILE 12 HD11 ILE 12 17.719 3.634 4.615
104 HD12 ILE 12 HD12 ILE 12 18.089 4.893 5.794
105 HD13 ILE 12 HD13 ILE 12 17.241 5.302 4.303
106 H GLY 13 H GLY 13 21.312 1.812 6.006
107 HA2 GLY 13 HA2 GLY 13 23.900 2.331 6.987
108 HA3 GLY 13 HA3 GLY 13 22.905 0.947 7.414
109 H TYR 14 H TYR 14 22.720 -0.007 4.657
110 HA TYR 14 HA TYR 14 24.841 -1.800 4.630
111 HB2 TYR 14 HB2 TYR 14 22.619 -1.906 3.353
112 HB3 TYR 14 HB3 TYR 14 23.410 -0.920 2.128
113 HD1 TYR 14 HD1 TYR 14 25.351 -1.826 0.876
114 HD2 TYR 14 HD2 TYR 14 23.100 -4.234 3.567
115 HE1 TYR 14 HE1 TYR 14 26.311 -3.850 -0.140
116 HE2 TYR 14 HE2 TYR 14 24.055 -6.264 2.559
117 HH TYR 14 HH TYR 14 25.278 -7.081 0.872
118 H ALA 15 H ALA 15 24.409 1.121 2.637
119 HA ALA 15 HA ALA 15 26.946 0.942 1.385
120 HB1 ALA 15 HB1 ALA 15 25.360 2.199 0.223
121 HB2 ALA 15 HB2 ALA 15 24.922 3.138 1.651
122 HB3 ALA 15 HB3 ALA 15 26.476 3.407 0.861
123 H PHE 16 H PHE 16 25.769 2.617 4.257
124 HA PHE 16 HA PHE 16 28.025 4.208 4.749
125 HB2 PHE 16 HB2 PHE 16 25.651 3.347 6.233
126 HB3 PHE 16 HB3 PHE 16 27.053 3.625 7.261
127 HD1 PHE 16 HD1 PHE 16 28.362 5.871 6.687
128 HD2 PHE 16 HD2 PHE 16 24.261 5.121 5.828
129 HE1 PHE 16 HE1 PHE 16 27.938 8.293 6.613
130 HE2 PHE 16 HE2 PHE 16 23.830 7.542 5.752
131 HZ PHE 16 HZ PHE 16 25.670 9.132 6.144
132 H GLY 17 H GLY 17 27.196 0.950 5.905
133 HA2 GLY 17 HA2 GLY 17 29.412 0.542 7.555
134 HA3 GLY 17 HA3 GLY 17 28.506 -0.732 6.752
135 H ALA 18 H ALA 18 29.105 0.275 4.073
136 HA ALA 18 HA ALA 18 31.595 -1.090 3.701
137 HB1 ALA 18 HB1 ALA 18 29.959 0.450 1.689
138 HB2 ALA 18 HB2 ALA 18 31.239 -0.712 1.337
139 HB3 ALA 18 HB3 ALA 18 29.739 -1.254 2.090
140 H VAL 19 H VAL 19 30.511 2.273 3.431
141 HA VAL 19 HA VAL 19 32.795 3.430 2.379
142 HB VAL 19 HB VAL 19 30.887 4.579 4.420
143 HG11 VAL 19 HG11 VAL 19 31.781 6.756 3.232
144 HG12 VAL 19 HG12 VAL 19 32.627 6.055 4.613
145 HG13 VAL 19 HG13 VAL 19 33.209 5.753 2.975
146 HG21 VAL 19 HG21 VAL 19 30.701 5.651 1.758
147 HG22 VAL 19 HG22 VAL 19 30.518 3.898 1.729
148 HG23 VAL 19 HG23 VAL 19 29.458 4.878 2.742
149 H GLU 20 H GLU 20 32.152 2.335 5.639
150 HA GLU 20 HA GLU 20 34.427 3.622 6.811
151 HB2 GLU 20 HB2 GLU 20 33.095 1.218 8.007
152 HB3 GLU 20 HB3 GLU 20 33.800 2.611 8.815
153 HG2 GLU 20 HG2 GLU 20 31.825 3.822 7.462
154 HG3 GLU 20 HG3 GLU 20 31.103 2.231 7.695
155 H ARG 21 H ARG 21 33.694 0.331 5.713
156 HA ARG 21 HA ARG 21 36.070 -0.898 6.504
157 HB2 ARG 21 HB2 ARG 21 33.881 -1.487 4.645
158 HB3 ARG 21 HB3 ARG 21 35.417 -2.203 4.174
159 HG2 ARG 21 HG2 ARG 21 34.431 -2.503 6.976
160 HG3 ARG 21 HG3 ARG 21 33.786 -3.526 5.691
161 HD2 ARG 21 HD2 ARG 21 36.338 -3.872 5.145
162 HD3 ARG 21 HD3 ARG 21 36.535 -3.406 6.834
163 HE ARG 21 HE ARG 21 34.569 -5.366 6.746
164 HH11 ARG 21 HH11 ARG 21 37.961 -5.055 6.029
165 HH12 ARG 21 HH12 ARG 21 38.322 -6.712 6.386
166 HH21 ARG 21 HH21 ARG 21 35.031 -7.549 7.219
167 HH22 ARG 21 HH22 ARG 21 36.654 -8.129 7.062
168 H ALA 22 H ALA 22 35.371 1.179 3.798
169 HA ALA 22 HA ALA 22 37.532 0.563 2.130
170 HB1 ALA 22 HB1 ALA 22 35.653 1.949 1.418
171 HB2 ALA 22 HB2 ALA 22 36.173 3.228 2.515
172 HB3 ALA 22 HB3 ALA 22 37.190 2.771 1.148
173 H VAL 23 H VAL 23 37.261 3.019 4.693
174 HA VAL 23 HA VAL 23 40.043 3.745 4.453
175 HB VAL 23 HB VAL 23 38.290 4.529 6.760
176 HG11 VAL 23 HG11 VAL 23 40.498 5.288 7.018
177 HG12 VAL 23 HG12 VAL 23 40.630 5.742 5.318
178 HG13 VAL 23 HG13 VAL 23 39.607 6.681 6.406
179 HG21 VAL 23 HG21 VAL 23 38.111 5.446 3.917
180 HG22 VAL 23 HG22 VAL 23 36.815 5.051 5.046
181 HG23 VAL 23 HG23 VAL 23 37.726 6.549 5.239
182 H LEU 24 H LEU 24 38.131 1.572 6.360
183 HA LEU 24 HA LEU 24 39.764 1.248 8.599
184 HB2 LEU 24 HB2 LEU 24 37.422 0.187 7.777
185 HB3 LEU 24 HB3 LEU 24 38.497 -1.186 7.521
186 HG LEU 24 HG LEU 24 38.964 -0.090 10.125
187 HD11 LEU 24 HD11 LEU 24 36.133 -1.013 9.784
188 HD12 LEU 24 HD12 LEU 24 36.563 0.694 9.696
189 HD13 LEU 24 HD13 LEU 24 36.884 -0.220 11.169
190 HD21 LEU 24 HD21 LEU 24 39.446 -2.385 9.324
191 HD22 LEU 24 HD22 LEU 24 37.712 -2.701 9.284
192 HD23 LEU 24 HD23 LEU 24 38.509 -2.350 10.818
193 H GLY 25 H GLY 25 39.986 -0.133 5.371
194 HA2 GLY 25 HA2 GLY 25 41.981 -2.062 5.970
195 HA3 GLY 25 HA3 GLY 25 41.589 -1.444 4.372
196 H GLY 26 H GLY 26 42.113 1.349 5.543
197 HA2 GLY 26 HA2 GLY 26 45.056 1.193 5.620
198 HA3 GLY 26 HA3 GLY 26 44.255 2.290 4.506
199 H SER 27 H SER 27 43.551 1.511 7.901
200 HA SER 27 HA SER 27 44.599 3.932 8.938
201 HB2 SER 27 HB2 SER 27 42.653 4.865 7.711
202 HB3 SER 27 HB3 SER 27 41.584 3.834 8.662
203 HG SER 27 HG SER 27 42.492 6.226 9.290
204 H ARG 28 H ARG 28 44.368 4.094 11.210
205 HA ARG 28 HA ARG 28 42.858 2.070 12.625
206 HB2 ARG 28 HB2 ARG 28 44.687 0.998 13.691
207 HB3 ARG 28 HB3 ARG 28 45.058 1.004 11.972
208 HG2 ARG 28 HG2 ARG 28 46.255 3.296 12.723
209 HG3 ARG 28 HG3 ARG 28 46.410 2.353 14.206
210 HD2 ARG 28 HD2 ARG 28 47.355 1.588 11.449
211 HD3 ARG 28 HD3 ARG 28 48.355 1.984 12.846
212 HE ARG 28 HE ARG 28 46.680 -0.188 13.475
213 HH11 ARG 28 HH11 ARG 28 49.455 0.606 11.528
214 HH12 ARG 28 HH12 ARG 28 50.109 -0.997 11.574
215 HH21 ARG 28 HH21 ARG 28 47.532 -2.303 13.543
216 HH22 ARG 28 HH22 ARG 28 49.015 -2.652 12.720
217 H ASP 29 H ASP 29 43.124 5.042 12.403
218 HA ASP 29 HA ASP 29 44.323 6.179 14.637
219 HB2 ASP 29 HB2 ASP 29 41.735 7.098 13.373
220 HB3 ASP 29 HB3 ASP 29 42.877 8.081 14.285
221 H TYR 30 H TYR 30 41.187 4.621 14.298
222 HA TYR 30 HA TYR 30 39.564 4.078 15.806
223 HB2 TYR 30 HB2 TYR 30 42.158 3.525 17.148
224 HB3 TYR 30 HB3 TYR 30 40.713 3.477 18.151
225 HD1 TYR 30 HD2 TYR 30 41.903 2.198 14.844
226 HD2 TYR 30 HD1 TYR 30 39.630 1.452 18.363
227 HE1 TYR 30 HE2 TYR 30 41.437 -0.084 14.053
228 HE2 TYR 30 HE1 TYR 30 39.159 -0.832 17.582
229 HH TYR 30 HH TYR 30 40.007 -2.475 16.079
230 H ASN 31 H ASN 31 38.974 6.438 15.648
231 HA ASN 31 HA ASN 31 39.670 8.367 17.505
232 HB2 ASN 31 HB2 ASN 31 37.801 8.136 15.446
233 HB3 ASN 31 HB3 ASN 31 36.837 8.484 16.878
234 HD21 ASN 31 HD21 ASN 31 37.412 10.120 14.518
235 HD22 ASN 31 HD22 ASN 31 38.108 11.583 15.119
236 H LYS 32 H LYS 32 36.753 6.314 17.650
237 HA LYS 32 HA LYS 32 37.078 5.957 20.498
238 HB2 LYS 32 HB2 LYS 32 35.016 6.973 21.176
239 HB3 LYS 32 HB3 LYS 32 35.934 8.173 20.276
240 HG2 LYS 32 HG2 LYS 32 34.567 7.782 18.311
241 HG3 LYS 32 HG3 LYS 32 33.675 6.520 19.163
242 HD2 LYS 32 HD2 LYS 32 33.275 8.468 20.902
243 HD3 LYS 32 HD3 LYS 32 33.571 9.479 19.486
244 HE2 LYS 32 HE2 LYS 32 31.788 7.313 18.836
245 HE3 LYS 32 HE3 LYS 32 31.178 8.223 20.217
246 HZ1 LYS 32 HZ1 LYS 32 30.567 8.982 17.852
247 HZ2 LYS 32 HZ2 LYS 32 32.127 9.635 17.811
248 HZ3 LYS 32 HZ3 LYS 32 31.024 10.152 18.985
Start of MODEL 11
1 H1 ARG 1 H ARG 1 1.929 2.770 1.382
2 HA ARG 1 HA ARG 1 2.341 1.187 -0.339
3 HB2 ARG 1 HB2 ARG 1 1.748 3.556 -2.111
4 HB3 ARG 1 HB3 ARG 1 2.425 2.053 -2.724
5 HG2 ARG 1 HG2 ARG 1 0.468 0.957 -2.584
6 HG3 ARG 1 HG3 ARG 1 0.001 1.766 -1.086
7 HD2 ARG 1 HD2 ARG 1 -1.481 2.834 -2.394
8 HD3 ARG 1 HD3 ARG 1 -0.096 3.828 -2.845
9 HE ARG 1 HE ARG 1 -0.150 1.612 -4.538
10 HH11 ARG 1 HH11 ARG 1 -2.060 4.437 -3.839
11 HH12 ARG 1 HH12 ARG 1 -2.700 4.562 -5.445
12 HH21 ARG 1 HH21 ARG 1 -0.985 1.766 -6.655
13 HH22 ARG 1 HH22 ARG 1 -2.088 3.042 -7.046
14 H ARG 2 H ARG 2 4.369 1.015 0.552
15 HA ARG 2 HA ARG 2 6.488 2.382 -0.896
16 HB2 ARG 2 HB2 ARG 2 5.738 3.060 1.820
17 HB3 ARG 2 HB3 ARG 2 7.393 2.468 1.748
18 HG2 ARG 2 HG2 ARG 2 8.130 4.253 0.561
19 HG3 ARG 2 HG3 ARG 2 6.590 4.475 -0.272
20 HD2 ARG 2 HD2 ARG 2 6.982 5.069 2.652
21 HD3 ARG 2 HD3 ARG 2 7.227 6.271 1.387
22 HE ARG 2 HE ARG 2 4.731 5.356 2.420
23 HH11 ARG 2 HH11 ARG 2 6.313 6.560 -0.438
24 HH12 ARG 2 HH12 ARG 2 4.861 7.209 -1.127
25 HH21 ARG 2 HH21 ARG 2 2.813 6.206 1.524
26 HH22 ARG 2 HH22 ARG 2 2.871 7.008 -0.009
27 H SER 3 H SER 3 8.058 0.993 -1.382
28 HA SER 3 HA SER 3 8.947 -1.049 0.410
29 HB2 SER 3 HB2 SER 3 6.804 -1.710 -1.358
30 HB3 SER 3 HB3 SER 3 8.249 -2.564 -1.900
31 HG SER 3 HG SER 3 8.476 -3.289 0.305
32 H ARG 4 H ARG 4 9.922 1.189 -1.276
33 HA ARG 4 HA ARG 4 12.307 -0.067 -2.212
34 HB2 ARG 4 HB2 ARG 4 10.581 -0.417 -4.084
35 HB3 ARG 4 HB3 ARG 4 10.709 1.316 -4.354
36 HG2 ARG 4 HG2 ARG 4 12.567 1.054 -5.529
37 HG3 ARG 4 HG3 ARG 4 13.323 0.138 -4.224
38 HD2 ARG 4 HD2 ARG 4 12.564 -1.902 -5.053
39 HD3 ARG 4 HD3 ARG 4 11.304 -1.144 -6.026
40 HE ARG 4 HE ARG 4 12.814 -0.945 -7.721
41 HH11 ARG 4 HH11 ARG 4 14.549 -1.355 -4.731
42 HH12 ARG 4 HH12 ARG 4 16.102 -1.450 -5.493
43 HH21 ARG 4 HH21 ARG 4 14.853 -1.069 -8.737
44 HH22 ARG 4 HH22 ARG 4 16.274 -1.286 -7.772
45 H LYS 5 H LYS 5 11.780 1.911 -0.323
46 HA LYS 5 HA LYS 5 13.549 3.969 -1.215
47 HB2 LYS 5 HB2 LYS 5 11.495 4.833 -2.206
48 HB3 LYS 5 HB3 LYS 5 10.669 4.705 -0.659
49 HG2 LYS 5 HG2 LYS 5 11.225 6.980 -0.950
50 HG3 LYS 5 HG3 LYS 5 12.345 6.338 0.255
51 HD2 LYS 5 HD2 LYS 5 13.619 5.906 -2.177
52 HD3 LYS 5 HD3 LYS 5 12.885 7.502 -2.344
53 HE2 LYS 5 HE2 LYS 5 14.355 6.851 0.164
54 HE3 LYS 5 HE3 LYS 5 15.282 7.201 -1.294
55 HZ1 LYS 5 HZ1 LYS 5 14.278 9.334 -1.456
56 HZ2 LYS 5 HZ2 LYS 5 14.827 9.163 0.135
57 HZ3 LYS 5 HZ3 LYS 5 13.180 8.994 -0.214
58 H ASN 6 H ASN 6 11.168 2.959 1.201
59 HA ASN 6 HA ASN 6 12.096 4.471 3.356
60 HB2 ASN 6 HB2 ASN 6 9.994 3.362 3.561
61 HB3 ASN 6 HB3 ASN 6 10.718 1.787 3.247
62 HD21 ASN 6 HD21 ASN 6 9.923 4.123 5.591
63 HD22 ASN 6 HD22 ASN 6 10.565 3.299 6.968
64 H GLY 7 H GLY 7 13.292 1.499 1.957
65 HA2 GLY 7 HA2 GLY 7 15.242 0.339 2.310
66 HA3 GLY 7 HA3 GLY 7 15.833 1.761 3.156
67 H ILE 8 H ILE 8 14.317 -1.350 3.475
68 HA ILE 8 HA ILE 8 13.680 -1.272 6.209
69 HB ILE 8 HB ILE 8 14.569 -3.715 4.678
70 HG12 ILE 8 HG12 ILE 8 11.803 -3.707 4.713
71 HG13 ILE 8 HG13 ILE 8 12.201 -2.025 4.386
72 HG21 ILE 8 HG21 ILE 8 14.334 -3.858 7.172
73 HG22 ILE 8 HG22 ILE 8 12.622 -3.496 6.962
74 HG23 ILE 8 HG23 ILE 8 13.306 -4.963 6.260
75 HD11 ILE 8 HD11 ILE 8 13.054 -2.484 2.342
76 HD12 ILE 8 HD12 ILE 8 13.628 -4.084 2.815
77 HD13 ILE 8 HD13 ILE 8 11.918 -3.827 2.467
78 H GLY 9 H GLY 9 16.569 -2.603 4.589
79 HA2 GLY 9 HA2 GLY 9 18.092 -2.018 7.038
80 HA3 GLY 9 HA3 GLY 9 18.171 -3.627 6.337
81 H TYR 10 H TYR 10 17.878 -0.970 4.170
82 HA TYR 10 HA TYR 10 20.410 -1.584 2.975
83 HB2 TYR 10 HB2 TYR 10 18.239 0.412 2.383
84 HB3 TYR 10 HB3 TYR 10 19.774 0.459 1.523
85 HD1 TYR 10 HD2 TYR 10 17.036 -1.925 2.400
86 HD2 TYR 10 HD1 TYR 10 20.001 -0.771 -0.425
87 HE1 TYR 10 HE2 TYR 10 16.208 -3.637 0.841
88 HE2 TYR 10 HE1 TYR 10 19.180 -2.480 -1.993
89 HH TYR 10 HH TYR 10 17.063 -4.948 -1.077
90 H ALA 11 H ALA 11 19.078 1.464 4.271
91 HA ALA 11 HA ALA 11 21.518 2.846 4.312
92 HB1 ALA 11 HB1 ALA 11 19.722 3.716 6.406
93 HB2 ALA 11 HB2 ALA 11 20.238 4.553 4.941
94 HB3 ALA 11 HB3 ALA 11 18.869 3.442 4.886
95 H ILE 12 H ILE 12 19.827 1.070 6.886
96 HA ILE 12 HA ILE 12 21.664 1.593 8.939
97 HB ILE 12 HB ILE 12 20.042 -0.935 8.671
98 HG12 ILE 12 HG12 ILE 12 18.683 0.898 10.311
99 HG13 ILE 12 HG13 ILE 12 19.158 1.809 8.882
100 HG21 ILE 12 HG21 ILE 12 21.661 -0.969 10.470
101 HG22 ILE 12 HG22 ILE 12 21.073 0.584 11.062
102 HG23 ILE 12 HG23 ILE 12 20.032 -0.838 11.132
103 HD11 ILE 12 HD11 ILE 12 17.924 0.439 7.459
104 HD12 ILE 12 HD12 ILE 12 17.791 -0.844 8.662
105 HD13 ILE 12 HD13 ILE 12 16.887 0.656 8.868
106 H GLY 13 H GLY 13 21.429 -1.180 6.716
107 HA2 GLY 13 HA2 GLY 13 23.693 -2.542 7.732
108 HA3 GLY 13 HA3 GLY 13 22.951 -2.809 6.162
109 H TYR 14 H TYR 14 23.334 -0.002 5.356
110 HA TYR 14 HA TYR 14 25.736 -0.237 3.984
111 HB2 TYR 14 HB2 TYR 14 23.779 1.378 3.574
112 HB3 TYR 14 HB3 TYR 14 24.560 2.428 4.752
113 HD1 TYR 14 HD2 TYR 14 26.788 3.392 4.263
114 HD2 TYR 14 HD1 TYR 14 24.641 1.144 1.357
115 HE1 TYR 14 HE2 TYR 14 28.237 4.303 2.496
116 HE2 TYR 14 HE1 TYR 14 26.084 2.048 -0.417
117 HH TYR 14 HH TYR 14 27.640 4.508 -0.449
118 H ALA 15 H ALA 15 25.057 1.688 6.904
119 HA ALA 15 HA ALA 15 27.755 2.507 7.266
120 HB1 ALA 15 HB1 ALA 15 26.906 3.079 9.610
121 HB2 ALA 15 HB2 ALA 15 26.152 3.902 8.244
122 HB3 ALA 15 HB3 ALA 15 25.326 2.555 9.027
123 H PHE 16 H PHE 16 25.767 -0.041 8.728
124 HA PHE 16 HA PHE 16 27.513 -0.968 10.654
125 HB2 PHE 16 HB2 PHE 16 25.195 -2.001 9.240
126 HB3 PHE 16 HB3 PHE 16 26.346 -3.279 9.617
127 HD1 PHE 16 HD1 PHE 16 27.381 -2.876 12.140
128 HD2 PHE 16 HD2 PHE 16 23.501 -1.803 10.757
129 HE1 PHE 16 HE1 PHE 16 26.540 -2.953 14.451
130 HE2 PHE 16 HE2 PHE 16 22.654 -1.878 13.066
131 HZ PHE 16 HZ PHE 16 24.174 -2.453 14.916
132 H GLY 17 H GLY 17 27.232 -2.151 7.298
133 HA2 GLY 17 HA2 GLY 17 29.314 -3.986 7.352
134 HA3 GLY 17 HA3 GLY 17 28.780 -3.130 5.913
135 H ALA 18 H ALA 18 29.442 -0.500 7.000
136 HA ALA 18 HA ALA 18 32.186 -0.427 6.183
137 HB1 ALA 18 HB1 ALA 18 31.889 2.054 6.895
138 HB2 ALA 18 HB2 ALA 18 31.021 1.443 5.486
139 HB3 ALA 18 HB3 ALA 18 30.183 1.624 7.027
140 H VAL 19 H VAL 19 30.465 0.057 9.243
141 HA VAL 19 HA VAL 19 32.559 0.903 10.842
142 HB VAL 19 HB VAL 19 30.247 -0.894 11.585
143 HG11 VAL 19 HG11 VAL 19 30.735 0.129 13.901
144 HG12 VAL 19 HG12 VAL 19 31.748 -1.202 13.338
145 HG13 VAL 19 HG13 VAL 19 32.340 0.458 13.250
146 HG21 VAL 19 HG21 VAL 19 29.956 1.691 12.642
147 HG22 VAL 19 HG22 VAL 19 30.448 1.900 10.961
148 HG23 VAL 19 HG23 VAL 19 29.018 0.943 11.348
149 H GLU 20 H GLU 20 31.819 -2.301 9.653
150 HA GLU 20 HA GLU 20 33.631 -3.667 11.402
151 HB2 GLU 20 HB2 GLU 20 32.721 -4.782 8.773
152 HB3 GLU 20 HB3 GLU 20 33.023 -5.621 10.288
153 HG2 GLU 20 HG2 GLU 20 30.999 -4.114 11.093
154 HG3 GLU 20 HG3 GLU 20 30.616 -4.160 9.373
155 H ARG 21 H ARG 21 33.707 -2.858 7.932
156 HA ARG 21 HA ARG 21 36.272 -3.812 7.397
157 HB2 ARG 21 HB2 ARG 21 34.361 -1.995 6.098
158 HB3 ARG 21 HB3 ARG 21 36.043 -1.688 5.688
159 HG2 ARG 21 HG2 ARG 21 35.729 -4.458 5.513
160 HG3 ARG 21 HG3 ARG 21 34.288 -3.763 4.767
161 HD2 ARG 21 HD2 ARG 21 35.829 -3.930 3.015
162 HD3 ARG 21 HD3 ARG 21 35.898 -2.237 3.501
163 HE ARG 21 HE ARG 21 38.077 -2.549 4.106
164 HH11 ARG 21 HH11 ARG 21 36.518 -5.654 3.883
165 HH12 ARG 21 HH12 ARG 21 37.981 -6.551 4.121
166 HH21 ARG 21 HH21 ARG 21 40.010 -3.719 4.421
167 HH22 ARG 21 HH22 ARG 21 39.966 -5.450 4.428
168 H ALA 22 H ALA 22 35.214 -0.859 8.910
169 HA ALA 22 HA ALA 22 37.509 0.708 8.613
170 HB1 ALA 22 HB1 ALA 22 36.095 2.103 9.607
171 HB2 ALA 22 HB2 ALA 22 35.101 0.770 10.197
172 HB3 ALA 22 HB3 ALA 22 36.491 1.317 11.135
173 H VAL 23 H VAL 23 36.613 -1.515 11.248
174 HA VAL 23 HA VAL 23 39.182 -1.213 12.527
175 HB VAL 23 HB VAL 23 37.210 -3.374 13.197
176 HG11 VAL 23 HG11 VAL 23 39.106 -3.611 14.504
177 HG12 VAL 23 HG12 VAL 23 39.364 -1.870 14.627
178 HG13 VAL 23 HG13 VAL 23 38.059 -2.635 15.534
179 HG21 VAL 23 HG21 VAL 23 35.794 -1.483 13.069
180 HG22 VAL 23 HG22 VAL 23 36.180 -1.688 14.778
181 HG23 VAL 23 HG23 VAL 23 36.994 -0.441 13.834
182 H LEU 24 H LEU 24 37.684 -3.399 10.280
183 HA LEU 24 HA LEU 24 39.255 -5.672 10.598
184 HB2 LEU 24 HB2 LEU 24 37.254 -4.923 8.921
185 HB3 LEU 24 HB3 LEU 24 38.631 -4.943 7.821
186 HG LEU 24 HG LEU 24 38.870 -7.346 9.134
187 HD11 LEU 24 HD11 LEU 24 36.057 -7.492 8.343
188 HD12 LEU 24 HD12 LEU 24 36.353 -6.555 9.807
189 HD13 LEU 24 HD13 LEU 24 36.896 -8.230 9.708
190 HD21 LEU 24 HD21 LEU 24 37.595 -6.592 6.518
191 HD22 LEU 24 HD22 LEU 24 37.878 -8.266 6.994
192 HD23 LEU 24 HD23 LEU 24 39.239 -7.158 6.811
193 H GLY 25 H GLY 25 39.981 -2.614 9.075
194 HA2 GLY 25 HA2 GLY 25 42.716 -3.602 8.573
195 HA3 GLY 25 HA3 GLY 25 41.875 -2.625 7.379
196 H GLY 26 H GLY 26 42.746 -2.531 10.838
197 HA2 GLY 26 HA2 GLY 26 44.076 -0.850 11.832
198 HA3 GLY 26 HA3 GLY 26 43.788 0.172 10.432
199 H SER 27 H SER 27 42.153 1.626 10.472
200 HA SER 27 HA SER 27 39.843 1.492 12.037
201 HB2 SER 27 HB2 SER 27 42.216 2.400 13.465
202 HB3 SER 27 HB3 SER 27 40.929 3.605 13.482
203 HG SER 27 HG SER 27 39.576 2.142 14.437
204 H ARG 28 H ARG 28 42.287 3.511 10.535
205 HA ARG 28 HA ARG 28 42.161 5.354 9.209
206 HB2 ARG 28 HB2 ARG 28 39.578 3.961 8.755
207 HB3 ARG 28 HB3 ARG 28 39.693 5.623 8.192
208 HG2 ARG 28 HG2 ARG 28 41.822 4.917 7.004
209 HG3 ARG 28 HG3 ARG 28 41.335 3.257 7.353
210 HD2 ARG 28 HD2 ARG 28 39.437 5.157 6.032
211 HD3 ARG 28 HD3 ARG 28 40.673 4.327 5.088
212 HE ARG 28 HE ARG 28 38.264 3.206 6.102
213 HH11 ARG 28 HH11 ARG 28 41.593 2.472 5.398
214 HH12 ARG 28 HH12 ARG 28 41.304 0.782 5.151
215 HH21 ARG 28 HH21 ARG 28 37.871 0.983 5.779
216 HH22 ARG 28 HH22 ARG 28 39.186 -0.064 5.367
217 H ASP 29 H ASP 29 42.479 6.847 10.874
218 HA ASP 29 HA ASP 29 40.557 8.850 11.150
219 HB2 ASP 29 HB2 ASP 29 39.944 6.699 12.798
220 HB3 ASP 29 HB3 ASP 29 40.761 7.832 13.872
221 H TYR 30 H TYR 30 41.566 10.674 11.736
222 HA TYR 30 HA TYR 30 43.700 10.734 13.642
223 HB2 TYR 30 HB2 TYR 30 45.324 11.737 11.901
224 HB3 TYR 30 HB3 TYR 30 45.142 9.987 11.957
225 HD1 TYR 30 HD2 TYR 30 43.862 8.819 10.197
226 HD2 TYR 30 HD1 TYR 30 44.632 12.998 9.986
227 HE1 TYR 30 HE2 TYR 30 43.285 8.799 7.806
228 HE2 TYR 30 HE1 TYR 30 44.056 12.990 7.595
229 HH TYR 30 HH TYR 30 44.117 10.902 5.695
230 H ASN 31 H ASN 31 41.659 12.115 14.129
231 HA ASN 31 HA ASN 31 42.398 14.806 14.088
232 HB2 ASN 31 HB2 ASN 31 40.396 15.586 12.626
233 HB3 ASN 31 HB3 ASN 31 41.878 15.066 11.827
234 HD21 ASN 31 HD21 ASN 31 41.665 13.661 10.247
235 HD22 ASN 31 HD22 ASN 31 40.313 12.616 9.991
236 H LYS 32 H LYS 32 41.814 13.995 16.273
237 HA LYS 32 HA LYS 32 39.049 13.578 16.902
238 HB2 LYS 32 HB2 LYS 32 41.585 13.803 18.466
239 HB3 LYS 32 HB3 LYS 32 40.053 13.980 19.311
240 HG2 LYS 32 HG2 LYS 32 39.360 11.776 18.411
241 HG3 LYS 32 HG3 LYS 32 40.972 11.599 17.715
242 HD2 LYS 32 HD2 LYS 32 41.978 11.670 19.903
243 HD3 LYS 32 HD3 LYS 32 40.418 12.025 20.650
244 HE2 LYS 32 HE2 LYS 32 40.962 9.517 19.076
245 HE3 LYS 32 HE3 LYS 32 41.207 9.632 20.818
246 HZ1 LYS 32 HZ1 LYS 32 38.660 10.619 20.237
247 HZ2 LYS 32 HZ2 LYS 32 39.066 9.223 21.100
248 HZ3 LYS 32 HZ3 LYS 32 38.824 9.143 19.428
Start of MODEL 12
1 H1 ARG 1 H ARG 1 2.213 -1.081 0.013
2 HA ARG 1 HA ARG 1 2.207 1.775 -0.670
3 HB2 ARG 1 HB2 ARG 1 2.355 2.351 1.719
4 HB3 ARG 1 HB3 ARG 1 0.846 1.536 1.333
5 HG2 ARG 1 HG2 ARG 1 1.881 -0.586 2.160
6 HG3 ARG 1 HG3 ARG 1 3.249 0.378 2.719
7 HD2 ARG 1 HD2 ARG 1 1.487 1.782 3.956
8 HD3 ARG 1 HD3 ARG 1 0.402 0.423 3.662
9 HE ARG 1 HE ARG 1 2.491 0.557 5.595
10 HH11 ARG 1 HH11 ARG 1 0.774 -1.610 3.480
11 HH12 ARG 1 HH12 ARG 1 1.075 -3.010 4.455
12 HH21 ARG 1 HH21 ARG 1 2.894 -1.278 6.888
13 HH22 ARG 1 HH22 ARG 1 2.280 -2.820 6.394
14 H ARG 2 H ARG 2 4.148 2.918 0.171
15 HA ARG 2 HA ARG 2 6.499 1.388 -0.439
16 HB2 ARG 2 HB2 ARG 2 5.959 4.259 0.241
17 HB3 ARG 2 HB3 ARG 2 7.609 3.650 0.228
18 HG2 ARG 2 HG2 ARG 2 7.649 3.398 -2.033
19 HG3 ARG 2 HG3 ARG 2 5.913 3.098 -2.141
20 HD2 ARG 2 HD2 ARG 2 6.771 5.786 -1.239
21 HD3 ARG 2 HD3 ARG 2 7.042 5.384 -2.934
22 HE ARG 2 HE ARG 2 4.519 5.880 -1.651
23 HH11 ARG 2 HH11 ARG 2 6.114 4.314 -4.320
24 HH12 ARG 2 HH12 ARG 2 4.703 4.298 -5.324
25 HH21 ARG 2 HH21 ARG 2 2.654 5.866 -2.964
26 HH22 ARG 2 HH22 ARG 2 2.735 5.182 -4.552
27 H SER 3 H SER 3 6.788 -0.133 1.169
28 HA SER 3 HA SER 3 8.123 0.772 3.528
29 HB2 SER 3 HB2 SER 3 5.304 0.360 3.705
30 HB3 SER 3 HB3 SER 3 6.105 -0.923 4.611
31 HG SER 3 HG SER 3 5.639 1.183 5.709
32 H ARG 4 H ARG 4 8.447 -1.013 1.180
33 HA ARG 4 HA ARG 4 9.881 -3.087 2.441
34 HB2 ARG 4 HB2 ARG 4 7.217 -3.677 2.388
35 HB3 ARG 4 HB3 ARG 4 7.756 -4.391 0.874
36 HG2 ARG 4 HG2 ARG 4 8.630 -6.124 1.938
37 HG3 ARG 4 HG3 ARG 4 9.580 -5.066 2.983
38 HD2 ARG 4 HD2 ARG 4 8.276 -6.137 4.536
39 HD3 ARG 4 HD3 ARG 4 7.282 -4.721 4.196
40 HE ARG 4 HE ARG 4 6.437 -6.638 2.426
41 HH11 ARG 4 HH11 ARG 4 6.695 -6.368 5.887
42 HH12 ARG 4 HH12 ARG 4 5.350 -7.414 6.200
43 HH21 ARG 4 HH21 ARG 4 4.664 -8.017 2.824
44 HH22 ARG 4 HH22 ARG 4 4.197 -8.352 4.457
45 H LYS 5 H LYS 5 10.220 -1.088 0.398
46 HA LYS 5 HA LYS 5 11.408 -2.767 -1.635
47 HB2 LYS 5 HB2 LYS 5 9.112 -2.421 -2.481
48 HB3 LYS 5 HB3 LYS 5 9.355 -0.681 -2.397
49 HG2 LYS 5 HG2 LYS 5 10.088 -0.753 -4.482
50 HG3 LYS 5 HG3 LYS 5 11.495 -1.648 -3.903
51 HD2 LYS 5 HD2 LYS 5 9.797 -3.679 -4.053
52 HD3 LYS 5 HD3 LYS 5 9.032 -2.630 -5.249
53 HE2 LYS 5 HE2 LYS 5 11.313 -2.416 -6.322
54 HE3 LYS 5 HE3 LYS 5 11.838 -3.720 -5.258
55 HZ1 LYS 5 HZ1 LYS 5 11.197 -4.627 -7.363
56 HZ2 LYS 5 HZ2 LYS 5 9.691 -3.859 -7.303
57 HZ3 LYS 5 HZ3 LYS 5 10.052 -5.100 -6.211
58 H ASN 6 H ASN 6 10.672 0.516 -0.536
59 HA ASN 6 HA ASN 6 12.676 1.861 -1.955
60 HB2 ASN 6 HB2 ASN 6 10.961 3.152 -0.916
61 HB3 ASN 6 HB3 ASN 6 11.320 2.476 0.671
62 HD21 ASN 6 HD21 ASN 6 12.171 4.818 -1.702
63 HD22 ASN 6 HD22 ASN 6 13.354 5.657 -0.763
64 H GLY 7 H GLY 7 12.817 -0.116 0.893
65 HA2 GLY 7 HA2 GLY 7 14.872 -1.130 1.571
66 HA3 GLY 7 HA3 GLY 7 15.730 0.273 0.951
67 H ILE 8 H ILE 8 13.928 -1.048 3.621
68 HA ILE 8 HA ILE 8 13.610 1.156 5.254
69 HB ILE 8 HB ILE 8 14.366 -1.634 6.130
70 HG12 ILE 8 HG12 ILE 8 11.646 -1.205 6.565
71 HG13 ILE 8 HG13 ILE 8 11.945 -0.507 4.977
72 HG21 ILE 8 HG21 ILE 8 14.659 -0.345 8.030
73 HG22 ILE 8 HG22 ILE 8 13.365 0.771 7.596
74 HG23 ILE 8 HG23 ILE 8 12.975 -0.849 8.173
75 HD11 ILE 8 HD11 ILE 8 13.202 -2.787 4.593
76 HD12 ILE 8 HD12 ILE 8 12.119 -3.326 5.878
77 HD13 ILE 8 HD13 ILE 8 11.456 -2.647 4.391
78 H GLY 9 H GLY 9 16.456 -0.950 4.940
79 HA2 GLY 9 HA2 GLY 9 18.113 1.249 5.931
80 HA3 GLY 9 HA3 GLY 9 18.182 -0.273 6.807
81 H TYR 10 H TYR 10 17.711 -0.262 3.367
82 HA TYR 10 HA TYR 10 20.101 -1.802 2.984
83 HB2 TYR 10 HB2 TYR 10 17.912 -0.818 1.178
84 HB3 TYR 10 HB3 TYR 10 19.374 -1.528 0.503
85 HD1 TYR 10 HD2 TYR 10 16.988 -2.328 3.276
86 HD2 TYR 10 HD1 TYR 10 19.183 -3.743 -0.083
87 HE1 TYR 10 HE2 TYR 10 16.045 -4.575 3.613
88 HE2 TYR 10 HE1 TYR 10 18.245 -5.993 0.244
89 HH TYR 10 HH TYR 10 17.251 -7.270 2.443
90 H ALA 11 H ALA 11 18.974 1.245 1.504
91 HA ALA 11 HA ALA 11 21.469 1.930 0.395
92 HB1 ALA 11 HB1 ALA 11 18.994 2.864 0.045
93 HB2 ALA 11 HB2 ALA 11 19.612 4.115 1.124
94 HB3 ALA 11 HB3 ALA 11 20.433 3.782 -0.401
95 H ILE 12 H ILE 12 19.881 2.949 3.404
96 HA ILE 12 HA ILE 12 21.845 4.760 4.253
97 HB ILE 12 HB ILE 12 20.149 3.066 6.082
98 HG12 ILE 12 HG12 ILE 12 18.933 5.571 5.705
99 HG13 ILE 12 HG13 ILE 12 19.346 5.001 4.091
100 HG21 ILE 12 HG21 ILE 12 21.862 4.341 7.215
101 HG22 ILE 12 HG22 ILE 12 21.360 5.810 6.380
102 HG23 ILE 12 HG23 ILE 12 20.280 5.046 7.546
103 HD11 ILE 12 HD11 ILE 12 18.049 3.044 4.358
104 HD12 ILE 12 HD12 ILE 12 17.843 3.335 6.085
105 HD13 ILE 12 HD13 ILE 12 17.060 4.394 4.913
106 H GLY 13 H GLY 13 21.424 1.306 5.009
107 HA2 GLY 13 HA2 GLY 13 23.716 1.118 6.669
108 HA3 GLY 13 HA3 GLY 13 22.868 -0.229 5.924
109 H TYR 14 H TYR 14 23.263 0.896 3.215
110 HA TYR 14 HA TYR 14 25.714 -0.405 2.624
111 HB2 TYR 14 HB2 TYR 14 23.696 -0.195 1.098
112 HB3 TYR 14 HB3 TYR 14 24.207 1.461 0.790
113 HD1 TYR 14 HD2 TYR 14 25.130 -2.087 0.369
114 HD2 TYR 14 HD1 TYR 14 26.026 1.938 -0.677
115 HE1 TYR 14 HE2 TYR 14 26.638 -2.889 -1.401
116 HE2 TYR 14 HE1 TYR 14 27.535 1.148 -2.451
117 HH TYR 14 HH TYR 14 28.244 -2.285 -2.865
118 H ALA 15 H ALA 15 24.734 3.015 2.441
119 HA ALA 15 HA ALA 15 27.240 4.029 1.687
120 HB1 ALA 15 HB1 ALA 15 24.844 5.252 3.009
121 HB2 ALA 15 HB2 ALA 15 26.311 6.190 2.725
122 HB3 ALA 15 HB3 ALA 15 25.442 5.476 1.365
123 H PHE 16 H PHE 16 25.746 3.706 4.898
124 HA PHE 16 HA PHE 16 27.715 4.892 6.433
125 HB2 PHE 16 HB2 PHE 16 25.577 2.923 6.897
126 HB3 PHE 16 HB3 PHE 16 26.904 2.845 8.052
127 HD1 PHE 16 HD1 PHE 16 27.703 5.458 8.629
128 HD2 PHE 16 HD2 PHE 16 23.783 4.077 7.712
129 HE1 PHE 16 HE1 PHE 16 26.749 7.365 9.855
130 HE2 PHE 16 HE2 PHE 16 22.822 5.983 8.936
131 HZ PHE 16 HZ PHE 16 24.305 7.631 10.009
132 H GLY 17 H GLY 17 27.454 1.456 5.519
133 HA2 GLY 17 HA2 GLY 17 29.747 0.523 6.779
134 HA3 GLY 17 HA3 GLY 17 29.057 -0.174 5.321
135 H ALA 18 H ALA 18 29.425 2.210 3.713
136 HA ALA 18 HA ALA 18 32.123 1.726 2.885
137 HB1 ALA 18 HB1 ALA 18 30.299 2.166 1.287
138 HB2 ALA 18 HB2 ALA 18 30.188 3.818 1.897
139 HB3 ALA 18 HB3 ALA 18 31.657 3.274 1.086
140 H VAL 19 H VAL 19 30.409 4.434 4.396
141 HA VAL 19 HA VAL 19 32.407 6.349 4.357
142 HB VAL 19 HB VAL 19 30.354 5.834 6.512
143 HG11 VAL 19 HG11 VAL 19 31.809 7.219 7.623
144 HG12 VAL 19 HG12 VAL 19 32.361 8.007 6.144
145 HG13 VAL 19 HG13 VAL 19 30.780 8.403 6.818
146 HG21 VAL 19 HG21 VAL 19 29.787 8.139 4.988
147 HG22 VAL 19 HG22 VAL 19 30.170 6.850 3.847
148 HG23 VAL 19 HG23 VAL 19 28.890 6.621 5.038
149 H GLU 20 H GLU 20 32.051 3.542 6.414
150 HA GLU 20 HA GLU 20 34.058 4.333 8.300
151 HB2 GLU 20 HB2 GLU 20 33.238 1.483 7.861
152 HB3 GLU 20 HB3 GLU 20 33.677 2.291 9.359
153 HG2 GLU 20 HG2 GLU 20 31.468 3.685 8.668
154 HG3 GLU 20 HG3 GLU 20 31.083 2.099 8.001
155 H ARG 21 H ARG 21 33.952 2.097 5.545
156 HA ARG 21 HA ARG 21 36.547 1.094 5.748
157 HB2 ARG 21 HB2 ARG 21 34.473 1.236 3.670
158 HB3 ARG 21 HB3 ARG 21 36.114 1.134 3.046
159 HG2 ARG 21 HG2 ARG 21 35.254 -0.757 5.180
160 HG3 ARG 21 HG3 ARG 21 34.727 -1.026 3.517
161 HD2 ARG 21 HD2 ARG 21 37.200 -0.756 2.898
162 HD3 ARG 21 HD3 ARG 21 37.518 -0.965 4.620
163 HE ARG 21 HE ARG 21 35.882 -3.064 3.833
164 HH11 ARG 21 HH11 ARG 21 39.074 -1.863 3.134
165 HH12 ARG 21 HH12 ARG 21 39.722 -3.426 2.763
166 HH21 ARG 21 HH21 ARG 21 36.724 -5.127 3.347
167 HH22 ARG 21 HH22 ARG 21 38.385 -5.282 2.883
168 H ALA 22 H ALA 22 35.359 4.113 4.453
169 HA ALA 22 HA ALA 22 37.616 4.877 2.963
170 HB1 ALA 22 HB1 ALA 22 35.488 6.500 4.340
171 HB2 ALA 22 HB2 ALA 22 36.745 7.211 3.327
172 HB3 ALA 22 HB3 ALA 22 35.593 6.070 2.633
173 H VAL 23 H VAL 23 36.744 5.479 6.353
174 HA VAL 23 HA VAL 23 39.210 6.884 6.877
175 HB VAL 23 HB VAL 23 37.374 5.847 9.014
176 HG11 VAL 23 HG11 VAL 23 38.968 8.398 8.792
177 HG12 VAL 23 HG12 VAL 23 38.098 7.812 10.211
178 HG13 VAL 23 HG13 VAL 23 39.512 6.939 9.620
179 HG21 VAL 23 HG21 VAL 23 35.777 6.819 7.626
180 HG22 VAL 23 HG22 VAL 23 36.212 8.131 8.722
181 HG23 VAL 23 HG23 VAL 23 36.876 8.090 7.089
182 H LEU 24 H LEU 24 38.023 3.635 7.121
183 HA LEU 24 HA LEU 24 39.776 2.596 9.039
184 HB2 LEU 24 HB2 LEU 24 37.750 1.599 7.530
185 HB3 LEU 24 HB3 LEU 24 39.146 0.835 6.772
186 HG LEU 24 HG LEU 24 39.361 0.542 9.605
187 HD11 LEU 24 HD11 LEU 24 36.769 0.853 9.162
188 HD12 LEU 24 HD12 LEU 24 37.384 -0.340 10.305
189 HD13 LEU 24 HD13 LEU 24 36.901 -0.839 8.684
190 HD21 LEU 24 HD21 LEU 24 40.243 -0.847 7.629
191 HD22 LEU 24 HD22 LEU 24 38.657 -1.618 7.649
192 HD23 LEU 24 HD23 LEU 24 39.696 -1.700 9.072
193 H GLY 25 H GLY 25 40.279 3.490 5.726
194 HA2 GLY 25 HA2 GLY 25 42.666 1.965 5.326
195 HA3 GLY 25 HA3 GLY 25 42.098 3.292 4.323
196 H GLY 26 H GLY 26 42.093 5.432 5.944
197 HA2 GLY 26 HA2 GLY 26 44.948 5.695 6.609
198 HA3 GLY 26 HA3 GLY 26 43.879 7.019 6.172
199 H SER 27 H SER 27 43.404 4.420 8.540
200 HA SER 27 HA SER 27 43.993 5.945 10.827
201 HB2 SER 27 HB2 SER 27 41.679 6.856 9.702
202 HB3 SER 27 HB3 SER 27 41.060 5.642 10.821
203 HG SER 27 HG SER 27 41.446 6.988 12.373
204 H ARG 28 H ARG 28 44.145 4.628 12.553
205 HA ARG 28 HA ARG 28 42.551 2.213 12.730
206 HB2 ARG 28 HB2 ARG 28 45.512 2.198 12.235
207 HB3 ARG 28 HB3 ARG 28 44.753 0.897 13.143
208 HG2 ARG 28 HG2 ARG 28 43.296 0.416 11.243
209 HG3 ARG 28 HG3 ARG 28 44.055 1.724 10.332
210 HD2 ARG 28 HD2 ARG 28 44.978 -0.452 9.708
211 HD3 ARG 28 HD3 ARG 28 46.201 0.578 10.451
212 HE ARG 28 HE ARG 28 44.982 -1.072 12.399
213 HH11 ARG 28 HH11 ARG 28 47.241 -1.167 9.752
214 HH12 ARG 28 HH12 ARG 28 48.126 -2.515 10.385
215 HH21 ARG 28 HH21 ARG 28 46.139 -2.847 13.243
216 HH22 ARG 28 HH22 ARG 28 47.498 -3.471 12.370
217 H ASP 29 H ASP 29 42.978 4.710 14.247
218 HA ASP 29 HA ASP 29 44.507 4.390 16.536
219 HB2 ASP 29 HB2 ASP 29 41.982 5.900 15.953
220 HB3 ASP 29 HB3 ASP 29 42.621 5.856 17.594
221 H TYR 30 H TYR 30 44.503 2.537 17.666
222 HA TYR 30 HA TYR 30 42.341 0.811 18.032
223 HB2 TYR 30 HB2 TYR 30 44.903 1.221 19.556
224 HB3 TYR 30 HB3 TYR 30 43.722 0.019 20.063
225 HD1 TYR 30 HD1 TYR 30 45.676 1.077 17.066
226 HD2 TYR 30 HD2 TYR 30 43.829 -2.123 19.176
227 HE1 TYR 30 HE1 TYR 30 46.626 -0.524 15.458
228 HE2 TYR 30 HE2 TYR 30 44.774 -3.732 17.574
229 HH TYR 30 HH TYR 30 47.053 -3.551 15.911
230 H ASN 31 H ASN 31 43.689 3.191 20.320
231 HA ASN 31 HA ASN 31 41.741 2.842 22.309
232 HB2 ASN 31 HB2 ASN 31 43.979 4.031 22.520
233 HB3 ASN 31 HB3 ASN 31 43.209 5.423 21.763
234 HD21 ASN 31 HD21 ASN 31 43.768 6.511 23.750
235 HD22 ASN 31 HD22 ASN 31 42.728 6.363 25.122
236 H LYS 32 H LYS 32 39.688 2.802 21.401
237 HA LYS 32 HA LYS 32 37.691 3.638 20.706
238 HB2 LYS 32 HB2 LYS 32 38.129 5.197 22.604
239 HB3 LYS 32 HB3 LYS 32 38.866 6.317 21.467
240 HG2 LYS 32 HG2 LYS 32 36.185 5.456 20.696
241 HG3 LYS 32 HG3 LYS 32 36.248 6.327 22.230
242 HD2 LYS 32 HD2 LYS 32 37.836 7.910 20.765
243 HD3 LYS 32 HD3 LYS 32 36.812 7.267 19.479
244 HE2 LYS 32 HE2 LYS 32 35.304 8.805 20.038
245 HE3 LYS 32 HE3 LYS 32 35.051 7.911 21.536
246 HZ1 LYS 32 HZ1 LYS 32 35.537 10.058 22.227
247 HZ2 LYS 32 HZ2 LYS 32 36.753 10.278 21.071
248 HZ3 LYS 32 HZ3 LYS 32 37.020 9.262 22.397
Start of MODEL 13
1 H1 ARG 1 H ARG 1 5.892 3.069 -6.362
2 HA ARG 1 HA ARG 1 4.722 3.635 -4.418
3 HB2 ARG 1 HB2 ARG 1 2.766 2.255 -5.544
4 HB3 ARG 1 HB3 ARG 1 3.263 1.030 -4.384
5 HG2 ARG 1 HG2 ARG 1 1.660 2.107 -3.177
6 HG3 ARG 1 HG3 ARG 1 3.084 3.027 -2.687
7 HD2 ARG 1 HD2 ARG 1 1.477 3.893 -5.056
8 HD3 ARG 1 HD3 ARG 1 0.924 4.276 -3.426
9 HE ARG 1 HE ARG 1 3.539 5.081 -3.491
10 HH11 ARG 1 HH11 ARG 1 0.675 5.786 -5.339
11 HH12 ARG 1 HH12 ARG 1 1.163 7.404 -5.723
12 HH21 ARG 1 HH21 ARG 1 4.193 7.208 -3.989
13 HH22 ARG 1 HH22 ARG 1 3.165 8.211 -4.956
14 H ARG 2 H ARG 2 6.610 3.467 -3.276
15 HA ARG 2 HA ARG 2 6.906 1.064 -1.666
16 HB2 ARG 2 HB2 ARG 2 8.680 1.730 -3.863
17 HB3 ARG 2 HB3 ARG 2 9.547 1.672 -2.335
18 HG2 ARG 2 HG2 ARG 2 9.129 -0.568 -2.024
19 HG3 ARG 2 HG3 ARG 2 7.693 -0.549 -3.050
20 HD2 ARG 2 HD2 ARG 2 10.194 0.147 -4.419
21 HD3 ARG 2 HD3 ARG 2 10.130 -1.502 -3.797
22 HE ARG 2 HE ARG 2 7.742 -0.940 -5.165
23 HH11 ARG 2 HH11 ARG 2 11.130 -1.456 -5.778
24 HH12 ARG 2 HH12 ARG 2 10.879 -2.083 -7.373
25 HH21 ARG 2 HH21 ARG 2 7.399 -1.764 -7.264
26 HH22 ARG 2 HH22 ARG 2 8.757 -2.257 -8.218
27 H SER 3 H SER 3 7.365 1.575 0.378
28 HA SER 3 HA SER 3 9.052 3.762 1.107
29 HB2 SER 3 HB2 SER 3 7.253 4.972 2.416
30 HB3 SER 3 HB3 SER 3 7.146 5.138 0.664
31 HG SER 3 HG SER 3 5.135 4.584 1.163
32 H ARG 4 H ARG 4 10.185 2.625 2.555
33 HA ARG 4 HA ARG 4 10.716 1.336 4.356
34 HB2 ARG 4 HB2 ARG 4 9.343 3.367 5.305
35 HB3 ARG 4 HB3 ARG 4 8.144 2.131 5.661
36 HG2 ARG 4 HG2 ARG 4 10.877 1.486 6.515
37 HG3 ARG 4 HG3 ARG 4 10.135 2.864 7.333
38 HD2 ARG 4 HD2 ARG 4 8.088 1.124 7.410
39 HD3 ARG 4 HD3 ARG 4 9.441 -0.006 7.425
40 HE ARG 4 HE ARG 4 9.898 0.638 9.568
41 HH11 ARG 4 HH11 ARG 4 7.851 3.031 8.085
42 HH12 ARG 4 HH12 ARG 4 7.618 3.928 9.549
43 HH21 ARG 4 HH21 ARG 4 9.599 1.810 11.502
44 HH22 ARG 4 HH22 ARG 4 8.613 3.233 11.492
45 H LYS 5 H LYS 5 9.796 -0.264 2.484
46 HA LYS 5 HA LYS 5 8.579 -2.399 3.956
47 HB2 LYS 5 HB2 LYS 5 6.724 -0.774 2.938
48 HB3 LYS 5 HB3 LYS 5 7.035 -1.735 1.498
49 HG2 LYS 5 HG2 LYS 5 6.753 -3.706 3.290
50 HG3 LYS 5 HG3 LYS 5 5.724 -2.480 4.033
51 HD2 LYS 5 HD2 LYS 5 4.687 -2.227 1.694
52 HD3 LYS 5 HD3 LYS 5 5.471 -3.767 1.333
53 HE2 LYS 5 HE2 LYS 5 4.085 -3.889 3.856
54 HE3 LYS 5 HE3 LYS 5 2.996 -3.364 2.573
55 HZ1 LYS 5 HZ1 LYS 5 4.718 -5.608 1.924
56 HZ2 LYS 5 HZ2 LYS 5 3.084 -5.356 1.565
57 HZ3 LYS 5 HZ3 LYS 5 3.537 -5.915 3.096
58 H ASN 6 H ASN 6 11.043 -1.969 2.580
59 HA ASN 6 HA ASN 6 11.302 -4.385 1.203
60 HB2 ASN 6 HB2 ASN 6 10.088 -2.501 -0.418
61 HB3 ASN 6 HB3 ASN 6 11.783 -2.394 -0.884
62 HD21 ASN 6 HD21 ASN 6 8.903 -4.188 -1.082
63 HD22 ASN 6 HD22 ASN 6 9.512 -5.508 -2.015
64 H GLY 7 H GLY 7 12.468 -1.105 1.671
65 HA2 GLY 7 HA2 GLY 7 15.192 -2.195 1.910
66 HA3 GLY 7 HA3 GLY 7 14.911 -0.783 0.901
67 H ILE 8 H ILE 8 13.651 -1.696 4.101
68 HA ILE 8 HA ILE 8 13.641 0.839 5.193
69 HB ILE 8 HB ILE 8 14.205 -1.697 6.731
70 HG12 ILE 8 HG12 ILE 8 11.483 -0.983 6.917
71 HG13 ILE 8 HG13 ILE 8 11.892 -0.899 5.207
72 HG21 ILE 8 HG21 ILE 8 13.251 -0.558 8.615
73 HG22 ILE 8 HG22 ILE 8 14.530 0.449 7.939
74 HG23 ILE 8 HG23 ILE 8 12.840 0.838 7.620
75 HD11 ILE 8 HD11 ILE 8 11.877 -3.104 5.033
76 HD12 ILE 8 HD12 ILE 8 12.972 -3.282 6.405
77 HD13 ILE 8 HD13 ILE 8 11.233 -3.163 6.674
78 H GLY 9 H GLY 9 16.285 -1.483 5.007
79 HA2 GLY 9 HA2 GLY 9 18.144 0.673 5.693
80 HA3 GLY 9 HA3 GLY 9 18.193 -0.785 6.673
81 H TYR 10 H TYR 10 17.408 -1.111 3.332
82 HA TYR 10 HA TYR 10 19.689 -2.772 2.879
83 HB2 TYR 10 HB2 TYR 10 17.384 -1.840 1.201
84 HB3 TYR 10 HB3 TYR 10 18.753 -2.645 0.443
85 HD1 TYR 10 HD1 TYR 10 16.756 -3.202 3.561
86 HD2 TYR 10 HD2 TYR 10 18.322 -4.852 -0.034
87 HE1 TYR 10 HE1 TYR 10 15.790 -5.386 4.150
88 HE2 TYR 10 HE2 TYR 10 17.360 -7.041 0.544
89 HH TYR 10 HH TYR 10 16.665 -8.238 2.681
90 H ALA 11 H ALA 11 18.588 0.214 1.261
91 HA ALA 11 HA ALA 11 21.074 0.643 -0.050
92 HB1 ALA 11 HB1 ALA 11 20.116 2.542 -0.967
93 HB2 ALA 11 HB2 ALA 11 18.716 1.512 -0.665
94 HB3 ALA 11 HB3 ALA 11 19.095 2.832 0.442
95 H ILE 12 H ILE 12 19.556 2.077 2.820
96 HA ILE 12 HA ILE 12 21.538 3.975 3.381
97 HB ILE 12 HB ILE 12 19.890 2.533 5.455
98 HG12 ILE 12 HG12 ILE 12 18.665 4.974 4.787
99 HG13 ILE 12 HG13 ILE 12 19.037 4.197 3.252
100 HG21 ILE 12 HG21 ILE 12 20.069 4.650 6.674
101 HG22 ILE 12 HG22 ILE 12 21.654 3.954 6.342
102 HG23 ILE 12 HG23 ILE 12 21.067 5.308 5.377
103 HD11 ILE 12 HD11 ILE 12 17.698 2.351 3.734
104 HD12 ILE 12 HD12 ILE 12 17.640 2.730 5.456
105 HD13 ILE 12 HD13 ILE 12 16.766 3.736 4.301
106 H GLY 13 H GLY 13 21.147 0.645 4.577
107 HA2 GLY 13 HA2 GLY 13 23.474 0.669 6.197
108 HA3 GLY 13 HA3 GLY 13 22.618 -0.763 5.643
109 H TYR 14 H TYR 14 22.952 0.025 2.807
110 HA TYR 14 HA TYR 14 25.222 -1.447 2.193
111 HB2 TYR 14 HB2 TYR 14 23.257 -0.759 0.679
112 HB3 TYR 14 HB3 TYR 14 24.168 0.718 0.385
113 HD1 TYR 14 HD2 TYR 14 26.311 0.637 -0.818
114 HD2 TYR 14 HD1 TYR 14 23.944 -2.857 -0.275
115 HE1 TYR 14 HE2 TYR 14 27.601 -0.503 -2.575
116 HE2 TYR 14 HE1 TYR 14 25.228 -4.007 -2.030
117 HH TYR 14 HH TYR 14 27.589 -3.773 -3.034
118 H ALA 15 H ALA 15 24.828 2.093 2.147
119 HA ALA 15 HA ALA 15 27.571 2.602 1.574
120 HB1 ALA 15 HB1 ALA 15 25.294 4.330 2.492
121 HB2 ALA 15 HB2 ALA 15 26.930 4.964 2.310
122 HB3 ALA 15 HB3 ALA 15 26.086 4.289 0.916
123 H PHE 16 H PHE 16 25.634 2.604 4.537
124 HA PHE 16 HA PHE 16 27.482 3.647 6.314
125 HB2 PHE 16 HB2 PHE 16 25.051 2.064 6.483
126 HB3 PHE 16 HB3 PHE 16 26.194 1.637 7.752
127 HD1 PHE 16 HD1 PHE 16 27.406 3.934 8.699
128 HD2 PHE 16 HD2 PHE 16 23.459 3.557 7.150
129 HE1 PHE 16 HE1 PHE 16 26.715 5.912 9.988
130 HE2 PHE 16 HE2 PHE 16 22.762 5.536 8.436
131 HZ PHE 16 HZ PHE 16 24.391 6.716 9.857
132 H GLY 17 H GLY 17 27.013 0.241 5.388
133 HA2 GLY 17 HA2 GLY 17 29.012 -0.863 6.999
134 HA3 GLY 17 HA3 GLY 17 28.427 -1.563 5.497
135 H ALA 18 H ALA 18 29.235 0.724 3.878
136 HA ALA 18 HA ALA 18 31.933 -0.091 3.372
137 HB1 ALA 18 HB1 ALA 18 30.743 0.405 1.438
138 HB2 ALA 18 HB2 ALA 18 30.074 1.892 2.112
139 HB3 ALA 18 HB3 ALA 18 31.775 1.819 1.650
140 H VAL 19 H VAL 19 30.390 2.841 4.628
141 HA VAL 19 HA VAL 19 32.588 4.515 4.778
142 HB VAL 19 HB VAL 19 30.266 4.304 6.697
143 HG11 VAL 19 HG11 VAL 19 30.936 6.804 7.028
144 HG12 VAL 19 HG12 VAL 19 31.775 5.539 7.929
145 HG13 VAL 19 HG13 VAL 19 32.523 6.248 6.497
146 HG21 VAL 19 HG21 VAL 19 30.405 5.142 4.017
147 HG22 VAL 19 HG22 VAL 19 29.052 5.316 5.135
148 HG23 VAL 19 HG23 VAL 19 30.248 6.604 4.991
149 H GLU 20 H GLU 20 31.720 1.804 6.794
150 HA GLU 20 HA GLU 20 33.551 2.425 8.908
151 HB2 GLU 20 HB2 GLU 20 32.525 -0.340 8.375
152 HB3 GLU 20 HB3 GLU 20 32.855 0.441 9.914
153 HG2 GLU 20 HG2 GLU 20 30.888 2.029 8.978
154 HG3 GLU 20 HG3 GLU 20 30.439 0.491 8.244
155 H ARG 21 H ARG 21 33.572 0.203 6.144
156 HA ARG 21 HA ARG 21 36.013 -1.049 6.662
157 HB2 ARG 21 HB2 ARG 21 34.239 -0.713 4.338
158 HB3 ARG 21 HB3 ARG 21 35.926 -1.001 3.933
159 HG2 ARG 21 HG2 ARG 21 34.769 -2.774 5.983
160 HG3 ARG 21 HG3 ARG 21 34.139 -2.955 4.344
161 HD2 ARG 21 HD2 ARG 21 36.821 -2.805 3.891
162 HD3 ARG 21 HD3 ARG 21 36.771 -3.634 5.446
163 HE ARG 21 HE ARG 21 34.962 -4.999 3.985
164 HH11 ARG 21 HH11 ARG 21 38.260 -4.052 3.394
165 HH12 ARG 21 HH12 ARG 21 38.610 -5.420 2.390
166 HH21 ARG 21 HH21 ARG 21 35.411 -6.804 2.664
167 HH22 ARG 21 HH22 ARG 21 36.988 -6.984 1.975
168 H ALA 22 H ALA 22 35.283 2.051 5.215
169 HA ALA 22 HA ALA 22 37.710 2.620 3.975
170 HB1 ALA 22 HB1 ALA 22 36.598 4.472 3.481
171 HB2 ALA 22 HB2 ALA 22 35.347 4.034 4.645
172 HB3 ALA 22 HB3 ALA 22 36.726 5.007 5.157
173 H VAL 23 H VAL 23 36.689 3.317 7.314
174 HA VAL 23 HA VAL 23 39.297 4.311 8.035
175 HB VAL 23 HB VAL 23 37.174 3.561 10.020
176 HG11 VAL 23 HG11 VAL 23 38.507 6.083 10.402
177 HG12 VAL 23 HG12 VAL 23 38.465 4.667 11.453
178 HG13 VAL 23 HG13 VAL 23 39.682 4.787 10.182
179 HG21 VAL 23 HG21 VAL 23 35.891 4.768 8.458
180 HG22 VAL 23 HG22 VAL 23 36.333 5.941 9.698
181 HG23 VAL 23 HG23 VAL 23 37.191 5.921 8.157
182 H LEU 24 H LEU 24 37.591 1.287 8.185
183 HA LEU 24 HA LEU 24 39.016 -0.019 10.196
184 HB2 LEU 24 HB2 LEU 24 37.000 -0.689 8.499
185 HB3 LEU 24 HB3 LEU 24 38.326 -1.657 7.859
186 HG LEU 24 HG LEU 24 38.251 -1.988 10.689
187 HD11 LEU 24 HD11 LEU 24 35.834 -1.225 10.229
188 HD12 LEU 24 HD12 LEU 24 36.093 -2.701 11.159
189 HD13 LEU 24 HD13 LEU 24 35.647 -2.800 9.456
190 HD21 LEU 24 HD21 LEU 24 39.182 -3.596 9.151
191 HD22 LEU 24 HD22 LEU 24 37.613 -3.817 8.377
192 HD23 LEU 24 HD23 LEU 24 37.856 -4.342 10.043
193 H GLY 25 H GLY 25 39.885 0.731 6.906
194 HA2 GLY 25 HA2 GLY 25 42.505 -0.545 7.383
195 HA3 GLY 25 HA3 GLY 25 41.688 -0.691 5.834
196 H GLY 26 H GLY 26 41.651 2.252 7.734
197 HA2 GLY 26 HA2 GLY 26 43.089 3.584 5.546
198 HA3 GLY 26 HA3 GLY 26 42.055 4.374 6.728
199 H SER 27 H SER 27 42.903 4.058 9.076
200 HA SER 27 HA SER 27 45.674 3.750 9.515
201 HB2 SER 27 HB2 SER 27 46.079 5.780 8.380
202 HB3 SER 27 HB3 SER 27 44.662 6.557 9.086
203 HG SER 27 HG SER 27 46.240 7.334 10.318
204 H ARG 28 H ARG 28 46.291 4.205 11.723
205 HA ARG 28 HA ARG 28 44.248 5.019 13.595
206 HB2 ARG 28 HB2 ARG 28 44.466 2.291 12.949
207 HB3 ARG 28 HB3 ARG 28 45.244 2.473 14.516
208 HG2 ARG 28 HG2 ARG 28 42.539 3.644 14.001
209 HG3 ARG 28 HG3 ARG 28 42.733 1.944 14.435
210 HD2 ARG 28 HD2 ARG 28 44.312 3.227 16.278
211 HD3 ARG 28 HD3 ARG 28 42.960 4.343 16.082
212 HE ARG 28 HE ARG 28 42.904 1.756 17.326
213 HH11 ARG 28 HH11 ARG 28 41.018 4.182 15.691
214 HH12 ARG 28 HH12 ARG 28 39.517 3.674 16.393
215 HH21 ARG 28 HH21 ARG 28 40.935 1.078 18.257
216 HH22 ARG 28 HH22 ARG 28 39.471 1.910 17.853
217 H ASP 29 H ASP 29 45.477 6.494 14.602
218 HA ASP 29 HA ASP 29 47.412 5.759 16.472
219 HB2 ASP 29 HB2 ASP 29 48.521 5.700 13.956
220 HB3 ASP 29 HB3 ASP 29 48.933 7.321 14.510
221 H TYR 30 H TYR 30 45.128 7.442 16.255
222 HA TYR 30 HA TYR 30 46.167 9.793 17.520
223 HB2 TYR 30 HB2 TYR 30 44.875 11.320 15.883
224 HB3 TYR 30 HB3 TYR 30 46.456 10.723 15.392
225 HD1 TYR 30 HD1 TYR 30 42.917 9.507 15.234
226 HD2 TYR 30 HD2 TYR 30 46.601 10.091 13.187
227 HE1 TYR 30 HE1 TYR 30 41.921 8.574 13.189
228 HE2 TYR 30 HE2 TYR 30 45.614 9.161 11.135
229 HH TYR 30 HH TYR 30 43.106 8.972 10.219
230 H ASN 31 H ASN 31 44.314 7.537 17.991
231 HA ASN 31 HA ASN 31 42.368 8.861 19.493
232 HB2 ASN 31 HB2 ASN 31 41.689 8.794 16.769
233 HB3 ASN 31 HB3 ASN 31 40.711 7.539 17.526
234 HD21 ASN 31 HD21 ASN 31 39.810 8.330 19.747
235 HD22 ASN 31 HD22 ASN 31 39.030 9.871 19.693
236 H LYS 32 H LYS 32 41.838 7.491 21.059
237 HA LYS 32 HA LYS 32 41.509 5.576 22.241
238 HB2 LYS 32 HB2 LYS 32 39.791 5.264 20.395
239 HB3 LYS 32 HB3 LYS 32 40.965 4.225 19.598
240 HG2 LYS 32 HG2 LYS 32 39.987 2.572 20.728
241 HG3 LYS 32 HG3 LYS 32 40.897 3.173 22.116
242 HD2 LYS 32 HD2 LYS 32 39.065 4.192 23.048
243 HD3 LYS 32 HD3 LYS 32 38.265 4.420 21.491
244 HE2 LYS 32 HE2 LYS 32 36.972 2.729 22.267
245 HE3 LYS 32 HE3 LYS 32 38.266 1.750 21.579
246 HZ1 LYS 32 HZ1 LYS 32 39.174 1.346 23.660
247 HZ2 LYS 32 HZ2 LYS 32 37.511 1.253 23.952
248 HZ3 LYS 32 HZ3 LYS 32 38.370 2.643 24.390
Start of MODEL 14
1 H1 ARG 1 H ARG 1 6.895 1.904 -6.533
2 HA ARG 1 HA ARG 1 7.032 3.614 -4.161
3 HB2 ARG 1 HB2 ARG 1 5.057 1.375 -4.596
4 HB3 ARG 1 HB3 ARG 1 5.466 1.986 -2.998
5 HG2 ARG 1 HG2 ARG 1 4.535 4.100 -3.455
6 HG3 ARG 1 HG3 ARG 1 4.439 3.766 -5.185
7 HD2 ARG 1 HD2 ARG 1 2.285 3.305 -4.701
8 HD3 ARG 1 HD3 ARG 1 2.947 1.740 -4.230
9 HE ARG 1 HE ARG 1 3.112 3.228 -1.962
10 HH11 ARG 1 HH11 ARG 1 0.538 2.437 -4.168
11 HH12 ARG 1 HH12 ARG 1 -0.698 2.508 -2.956
12 HH21 ARG 1 HH21 ARG 1 1.494 3.326 -0.357
13 HH22 ARG 1 HH22 ARG 1 -0.154 3.015 -0.789
14 H ARG 2 H ARG 2 9.017 2.075 -5.603
15 HA ARG 2 HA ARG 2 9.537 -0.355 -4.200
16 HB2 ARG 2 HB2 ARG 2 10.527 0.896 -6.491
17 HB3 ARG 2 HB3 ARG 2 11.891 0.858 -5.382
18 HG2 ARG 2 HG2 ARG 2 12.106 -1.379 -5.508
19 HG3 ARG 2 HG3 ARG 2 10.365 -1.648 -5.612
20 HD2 ARG 2 HD2 ARG 2 10.532 -1.919 -7.809
21 HD3 ARG 2 HD3 ARG 2 11.192 -0.292 -7.965
22 HE ARG 2 HE ARG 2 13.287 -1.195 -8.198
23 HH11 ARG 2 HH11 ARG 2 11.099 -3.634 -7.024
24 HH12 ARG 2 HH12 ARG 2 12.231 -4.931 -7.223
25 HH21 ARG 2 HH21 ARG 2 14.786 -2.893 -8.465
26 HH22 ARG 2 HH22 ARG 2 14.328 -4.508 -8.042
27 H SER 3 H SER 3 11.820 -0.597 -3.162
28 HA SER 3 HA SER 3 13.202 -0.157 -1.408
29 HB2 SER 3 HB2 SER 3 12.957 2.329 -2.798
30 HB3 SER 3 HB3 SER 3 12.975 2.659 -1.066
31 HG SER 3 HG SER 3 14.957 1.599 -2.701
32 H ARG 4 H ARG 4 10.231 -0.433 -1.131
33 HA ARG 4 HA ARG 4 10.114 0.081 1.689
34 HB2 ARG 4 HB2 ARG 4 9.368 2.225 0.281
35 HB3 ARG 4 HB3 ARG 4 7.846 1.345 0.239
36 HG2 ARG 4 HG2 ARG 4 7.374 2.167 2.236
37 HG3 ARG 4 HG3 ARG 4 8.721 1.238 2.898
38 HD2 ARG 4 HD2 ARG 4 9.564 3.224 3.489
39 HD3 ARG 4 HD3 ARG 4 9.989 3.391 1.786
40 HE ARG 4 HE ARG 4 8.370 4.997 1.574
41 HH11 ARG 4 HH11 ARG 4 7.875 3.256 4.548
42 HH12 ARG 4 HH12 ARG 4 6.642 4.329 5.123
43 HH21 ARG 4 HH21 ARG 4 6.748 6.416 2.320
44 HH22 ARG 4 HH22 ARG 4 6.001 6.126 3.854
45 H LYS 5 H LYS 5 9.961 -2.199 -0.059
46 HA LYS 5 HA LYS 5 7.662 -3.464 1.066
47 HB2 LYS 5 HB2 LYS 5 7.115 -2.142 -1.265
48 HB3 LYS 5 HB3 LYS 5 7.526 -3.746 -1.859
49 HG2 LYS 5 HG2 LYS 5 5.853 -4.338 0.205
50 HG3 LYS 5 HG3 LYS 5 5.169 -2.825 -0.394
51 HD2 LYS 5 HD2 LYS 5 5.732 -4.263 -2.694
52 HD3 LYS 5 HD3 LYS 5 5.126 -5.481 -1.569
53 HE2 LYS 5 HE2 LYS 5 3.098 -4.275 -1.239
54 HE3 LYS 5 HE3 LYS 5 3.723 -2.870 -2.102
55 HZ1 LYS 5 HZ1 LYS 5 3.684 -5.358 -3.597
56 HZ2 LYS 5 HZ2 LYS 5 3.289 -3.790 -4.092
57 HZ3 LYS 5 HZ3 LYS 5 2.167 -4.710 -3.222
58 H ASN 6 H ASN 6 10.512 -3.839 1.029
59 HA ASN 6 HA ASN 6 10.655 -6.612 0.724
60 HB2 ASN 6 HB2 ASN 6 10.936 -5.242 -1.739
61 HB3 ASN 6 HB3 ASN 6 12.537 -5.826 -1.295
62 HD21 ASN 6 HD21 ASN 6 12.717 -8.114 -0.742
63 HD22 ASN 6 HD22 ASN 6 11.701 -9.247 -1.560
64 H GLY 7 H GLY 7 12.363 -3.542 0.728
65 HA2 GLY 7 HA2 GLY 7 14.587 -4.831 2.181
66 HA3 GLY 7 HA3 GLY 7 14.730 -3.343 1.257
67 H ILE 8 H ILE 8 13.259 -4.761 4.143
68 HA ILE 8 HA ILE 8 12.256 -2.447 5.311
69 HB ILE 8 HB ILE 8 13.486 -4.799 6.753
70 HG12 ILE 8 HG12 ILE 8 10.668 -4.916 6.791
71 HG13 ILE 8 HG13 ILE 8 11.120 -4.576 5.124
72 HG21 ILE 8 HG21 ILE 8 11.861 -4.124 8.545
73 HG22 ILE 8 HG22 ILE 8 13.198 -3.007 8.285
74 HG23 ILE 8 HG23 ILE 8 11.599 -2.631 7.645
75 HD11 ILE 8 HD11 ILE 8 10.882 -7.004 5.770
76 HD12 ILE 8 HD12 ILE 8 12.381 -6.550 4.959
77 HD13 ILE 8 HD13 ILE 8 12.363 -6.800 6.705
78 H GLY 9 H GLY 9 15.501 -3.870 5.569
79 HA2 GLY 9 HA2 GLY 9 16.470 -1.239 6.474
80 HA3 GLY 9 HA3 GLY 9 16.935 -2.692 7.347
81 H TYR 10 H TYR 10 16.572 -2.833 3.907
82 HA TYR 10 HA TYR 10 19.315 -3.608 3.594
83 HB2 TYR 10 HB2 TYR 10 16.981 -3.311 1.726
84 HB3 TYR 10 HB3 TYR 10 18.602 -3.577 1.095
85 HD1 TYR 10 HD1 TYR 10 16.362 -5.006 3.732
86 HD2 TYR 10 HD2 TYR 10 19.183 -5.757 0.637
87 HE1 TYR 10 HE1 TYR 10 16.092 -7.426 4.082
88 HE2 TYR 10 HE2 TYR 10 18.921 -8.179 0.977
89 HH TYR 10 HH TYR 10 18.000 -9.773 2.226
90 H ALA 11 H ALA 11 17.386 -1.027 2.056
91 HA ALA 11 HA ALA 11 19.570 0.345 0.956
92 HB1 ALA 11 HB1 ALA 11 17.936 1.502 0.003
93 HB2 ALA 11 HB2 ALA 11 16.771 0.651 1.018
94 HB3 ALA 11 HB3 ALA 11 17.465 2.178 1.563
95 H ILE 12 H ILE 12 17.792 0.892 3.985
96 HA ILE 12 HA ILE 12 19.221 3.153 4.828
97 HB ILE 12 HB ILE 12 18.029 1.077 6.662
98 HG12 ILE 12 HG12 ILE 12 16.202 3.180 6.289
99 HG13 ILE 12 HG13 ILE 12 16.744 2.737 4.674
100 HG21 ILE 12 HG21 ILE 12 18.529 4.035 6.948
101 HG22 ILE 12 HG22 ILE 12 17.623 3.059 8.102
102 HG23 ILE 12 HG23 ILE 12 19.332 2.729 7.820
103 HD11 ILE 12 HD11 ILE 12 14.708 1.545 5.445
104 HD12 ILE 12 HD12 ILE 12 16.038 0.481 4.987
105 HD13 ILE 12 HD13 ILE 12 15.689 0.773 6.691
106 H GLY 13 H GLY 13 19.705 -0.290 5.601
107 HA2 GLY 13 HA2 GLY 13 21.967 0.113 7.253
108 HA3 GLY 13 HA3 GLY 13 21.508 -1.402 6.490
109 H TYR 14 H TYR 14 21.602 -0.219 3.792
110 HA TYR 14 HA TYR 14 24.184 -0.931 3.065
111 HB2 TYR 14 HB2 TYR 14 22.094 -0.637 1.593
112 HB3 TYR 14 HB3 TYR 14 22.555 1.059 1.498
113 HD1 TYR 14 HD2 TYR 14 24.665 1.707 0.384
114 HD2 TYR 14 HD1 TYR 14 23.288 -2.319 0.378
115 HE1 TYR 14 HE2 TYR 14 26.205 1.189 -1.463
116 HE2 TYR 14 HE1 TYR 14 24.825 -2.848 -1.468
117 HH TYR 14 HH TYR 14 27.343 -0.815 -2.402
118 H ALA 15 H ALA 15 22.831 2.345 3.422
119 HA ALA 15 HA ALA 15 25.318 3.655 2.971
120 HB1 ALA 15 HB1 ALA 15 22.667 4.560 4.048
121 HB2 ALA 15 HB2 ALA 15 24.062 5.639 3.984
122 HB3 ALA 15 HB3 ALA 15 23.419 4.938 2.498
123 H PHE 16 H PHE 16 23.523 2.716 5.870
124 HA PHE 16 HA PHE 16 25.049 4.015 7.793
125 HB2 PHE 16 HB2 PHE 16 23.141 1.814 7.731
126 HB3 PHE 16 HB3 PHE 16 24.365 1.598 8.978
127 HD1 PHE 16 HD1 PHE 16 24.806 3.670 10.496
128 HD2 PHE 16 HD2 PHE 16 21.279 3.090 8.185
129 HE1 PHE 16 HE1 PHE 16 23.594 5.233 11.960
130 HE2 PHE 16 HE2 PHE 16 20.062 4.653 9.644
131 HZ PHE 16 HZ PHE 16 21.219 5.728 11.534
132 H GLY 17 H GLY 17 25.492 0.761 6.423
133 HA2 GLY 17 HA2 GLY 17 27.697 -0.026 7.923
134 HA3 GLY 17 HA3 GLY 17 27.351 -0.577 6.290
135 H ALA 18 H ALA 18 27.543 2.079 5.118
136 HA ALA 18 HA ALA 18 30.372 2.111 4.674
137 HB1 ALA 18 HB1 ALA 18 28.930 2.558 2.819
138 HB2 ALA 18 HB2 ALA 18 28.164 3.899 3.673
139 HB3 ALA 18 HB3 ALA 18 29.848 4.024 3.165
140 H VAL 19 H VAL 19 28.057 4.270 6.266
141 HA VAL 19 HA VAL 19 29.712 6.416 6.830
142 HB VAL 19 HB VAL 19 27.489 5.274 8.527
143 HG11 VAL 19 HG11 VAL 19 28.417 6.647 10.075
144 HG12 VAL 19 HG12 VAL 19 29.227 7.646 8.866
145 HG13 VAL 19 HG13 VAL 19 27.505 7.863 9.181
146 HG21 VAL 19 HG21 VAL 19 26.035 6.320 7.187
147 HG22 VAL 19 HG22 VAL 19 27.036 7.769 7.083
148 HG23 VAL 19 HG23 VAL 19 27.359 6.396 6.024
149 H GLU 20 H GLU 20 29.584 3.264 8.312
150 HA GLU 20 HA GLU 20 31.108 3.974 10.632
151 HB2 GLU 20 HB2 GLU 20 30.919 1.175 9.575
152 HB3 GLU 20 HB3 GLU 20 30.973 1.729 11.243
153 HG2 GLU 20 HG2 GLU 20 28.667 2.854 10.485
154 HG3 GLU 20 HG3 GLU 20 28.684 1.462 9.404
155 H ARG 21 H ARG 21 31.832 2.327 7.570
156 HA ARG 21 HA ARG 21 34.516 1.747 8.063
157 HB2 ARG 21 HB2 ARG 21 32.769 1.917 5.711
158 HB3 ARG 21 HB3 ARG 21 34.464 2.232 5.364
159 HG2 ARG 21 HG2 ARG 21 35.024 0.088 5.602
160 HG3 ARG 21 HG3 ARG 21 34.056 -0.096 7.066
161 HD2 ARG 21 HD2 ARG 21 32.032 -0.091 5.495
162 HD3 ARG 21 HD3 ARG 21 33.199 -0.356 4.201
163 HE ARG 21 HE ARG 21 32.265 -2.282 6.074
164 HH11 ARG 21 HH11 ARG 21 35.055 -1.321 4.227
165 HH12 ARG 21 HH12 ARG 21 35.731 -2.915 4.173
166 HH21 ARG 21 HH21 ARG 21 33.144 -4.386 6.010
167 HH22 ARG 21 HH22 ARG 21 34.643 -4.658 5.187
168 H ALA 22 H ALA 22 32.957 4.727 7.178
169 HA ALA 22 HA ALA 22 35.145 6.147 6.159
170 HB1 ALA 22 HB1 ALA 22 32.579 6.735 6.365
171 HB2 ALA 22 HB2 ALA 22 33.131 7.579 7.812
172 HB3 ALA 22 HB3 ALA 22 33.806 7.995 6.237
173 H VAL 23 H VAL 23 33.916 5.918 9.491
174 HA VAL 23 HA VAL 23 36.103 7.478 10.538
175 HB VAL 23 HB VAL 23 34.265 5.809 12.226
176 HG11 VAL 23 HG11 VAL 23 35.866 6.842 13.554
177 HG12 VAL 23 HG12 VAL 23 35.870 8.313 12.579
178 HG13 VAL 23 HG13 VAL 23 34.505 7.959 13.638
179 HG21 VAL 23 HG21 VAL 23 33.614 8.340 10.749
180 HG22 VAL 23 HG22 VAL 23 32.685 6.843 10.841
181 HG23 VAL 23 HG23 VAL 23 32.791 7.904 12.247
182 H LEU 24 H LEU 24 35.244 4.083 10.287
183 HA LEU 24 HA LEU 24 37.060 2.973 12.072
184 HB2 LEU 24 HB2 LEU 24 35.228 2.003 10.309
185 HB3 LEU 24 HB3 LEU 24 36.739 1.507 9.550
186 HG LEU 24 HG LEU 24 37.051 0.748 12.194
187 HD11 LEU 24 HD11 LEU 24 34.888 -0.735 12.311
188 HD12 LEU 24 HD12 LEU 24 34.194 0.587 11.373
189 HD13 LEU 24 HD13 LEU 24 34.900 0.906 12.958
190 HD21 LEU 24 HD21 LEU 24 36.104 -0.861 9.824
191 HD22 LEU 24 HD22 LEU 24 36.803 -1.526 11.300
192 HD23 LEU 24 HD23 LEU 24 37.779 -0.504 10.244
193 H GLY 25 H GLY 25 37.525 4.078 8.757
194 HA2 GLY 25 HA2 GLY 25 40.366 3.326 8.922
195 HA3 GLY 25 HA3 GLY 25 39.495 3.699 7.442
196 H GLY 26 H GLY 26 38.300 6.087 8.029
197 HA2 GLY 26 HA2 GLY 26 40.521 7.882 7.794
198 HA3 GLY 26 HA3 GLY 26 38.820 8.323 7.793
199 H SER 27 H SER 27 41.518 7.435 9.902
200 HA SER 27 HA SER 27 40.919 9.480 11.767
201 HB2 SER 27 HB2 SER 27 39.286 7.318 12.134
202 HB3 SER 27 HB3 SER 27 40.631 6.925 13.205
203 HG SER 27 HG SER 27 38.905 8.224 14.148
204 H ARG 28 H ARG 28 42.280 9.171 13.828
205 HA ARG 28 HA ARG 28 44.576 7.440 13.544
206 HB2 ARG 28 HB2 ARG 28 44.653 10.220 12.693
207 HB3 ARG 28 HB3 ARG 28 45.827 9.891 13.960
208 HG2 ARG 28 HG2 ARG 28 46.901 8.231 12.664
209 HG3 ARG 28 HG3 ARG 28 45.589 8.207 11.484
210 HD2 ARG 28 HD2 ARG 28 47.564 9.418 10.659
211 HD3 ARG 28 HD3 ARG 28 46.144 10.456 10.777
212 HE ARG 28 HE ARG 28 47.753 10.576 13.127
213 HH11 ARG 28 HH11 ARG 28 47.474 11.743 9.859
214 HH12 ARG 28 HH12 ARG 28 48.361 13.200 10.166
215 HH21 ARG 28 HH21 ARG 28 48.923 12.490 13.543
216 HH22 ARG 28 HH22 ARG 28 49.185 13.623 12.261
217 H ASP 29 H ASP 29 44.148 6.590 15.539
218 HA ASP 29 HA ASP 29 45.182 7.854 17.801
219 HB2 ASP 29 HB2 ASP 29 42.686 8.881 17.236
220 HB3 ASP 29 HB3 ASP 29 42.331 7.630 18.424
221 H TYR 30 H TYR 30 45.218 5.317 16.480
222 HA TYR 30 HA TYR 30 43.682 3.374 17.826
223 HB2 TYR 30 HB2 TYR 30 46.249 3.261 16.261
224 HB3 TYR 30 HB3 TYR 30 45.592 1.824 17.038
225 HD1 TYR 30 HD1 TYR 30 44.717 4.515 14.619
226 HD2 TYR 30 HD2 TYR 30 43.965 0.546 15.955
227 HE1 TYR 30 HE1 TYR 30 43.252 4.145 12.678
228 HE2 TYR 30 HE2 TYR 30 42.500 0.165 14.017
229 HH TYR 30 HH TYR 30 42.457 2.088 11.337
230 H ASN 31 H ASN 31 47.156 4.103 18.208
231 HA ASN 31 HA ASN 31 47.136 4.257 20.995
232 HB2 ASN 31 HB2 ASN 31 46.555 1.959 21.141
233 HB3 ASN 31 HB3 ASN 31 47.699 1.512 19.879
234 HD21 ASN 31 HD21 ASN 31 47.853 3.350 22.914
235 HD22 ASN 31 HD22 ASN 31 49.216 2.501 23.554
236 H LYS 32 H LYS 32 49.079 2.879 18.349
237 HA LYS 32 HA LYS 32 51.565 3.746 19.424
238 HB2 LYS 32 HB2 LYS 32 50.629 2.324 17.067
239 HB3 LYS 32 HB3 LYS 32 51.933 3.439 16.680
240 HG2 LYS 32 HG2 LYS 32 53.392 2.390 18.251
241 HG3 LYS 32 HG3 LYS 32 52.078 1.395 18.883
242 HD2 LYS 32 HD2 LYS 32 52.207 -0.081 17.181
243 HD3 LYS 32 HD3 LYS 32 52.542 1.174 15.984
244 HE2 LYS 32 HE2 LYS 32 54.838 1.221 16.537
245 HE3 LYS 32 HE3 LYS 32 54.579 0.291 18.013
246 HZ1 LYS 32 HZ1 LYS 32 53.657 -1.404 16.176
247 HZ2 LYS 32 HZ2 LYS 32 55.257 -1.399 16.723
248 HZ3 LYS 32 HZ3 LYS 32 54.857 -0.622 15.275
Start of MODEL 15
1 H1 ARG 1 H ARG 1 4.192 1.141 -4.087
2 HA ARG 1 HA ARG 1 6.274 0.872 -5.060
3 HB2 ARG 1 HB2 ARG 1 5.861 3.372 -3.922
4 HB3 ARG 1 HB3 ARG 1 7.486 2.940 -3.406
5 HG2 ARG 1 HG2 ARG 1 8.264 2.780 -5.611
6 HG3 ARG 1 HG3 ARG 1 6.629 2.737 -6.273
7 HD2 ARG 1 HD2 ARG 1 6.450 5.093 -5.128
8 HD3 ARG 1 HD3 ARG 1 8.209 5.048 -5.245
9 HE ARG 1 HE ARG 1 6.345 5.418 -7.389
10 HH11 ARG 1 HH11 ARG 1 9.517 4.252 -6.556
11 HH12 ARG 1 HH12 ARG 1 10.165 4.491 -8.145
12 HH21 ARG 1 HH21 ARG 1 7.185 5.737 -9.485
13 HH22 ARG 1 HH22 ARG 1 8.838 5.336 -9.810
14 H ARG 2 H ARG 2 7.653 -0.741 -4.768
15 HA ARG 2 HA ARG 2 8.420 -1.773 -2.279
16 HB2 ARG 2 HB2 ARG 2 9.244 -2.191 -5.101
17 HB3 ARG 2 HB3 ARG 2 10.364 -2.737 -3.860
18 HG2 ARG 2 HG2 ARG 2 9.187 -4.620 -3.822
19 HG3 ARG 2 HG3 ARG 2 7.935 -3.698 -2.988
20 HD2 ARG 2 HD2 ARG 2 8.142 -3.955 -5.984
21 HD3 ARG 2 HD3 ARG 2 7.127 -4.981 -4.971
22 HE ARG 2 HE ARG 2 6.342 -2.478 -4.305
23 HH11 ARG 2 HH11 ARG 2 6.693 -4.154 -7.336
24 HH12 ARG 2 HH12 ARG 2 5.423 -3.273 -8.119
25 HH21 ARG 2 HH21 ARG 2 4.668 -1.312 -5.325
26 HH22 ARG 2 HH22 ARG 2 4.273 -1.656 -6.974
27 H SER 3 H SER 3 10.702 -1.989 -1.514
28 HA SER 3 HA SER 3 12.628 -1.080 -0.712
29 HB2 SER 3 HB2 SER 3 12.534 -0.302 -3.461
30 HB3 SER 3 HB3 SER 3 13.169 1.049 -2.522
31 HG SER 3 HG SER 3 14.187 -1.557 -2.807
32 H ARG 4 H ARG 4 9.916 0.071 -0.167
33 HA ARG 4 HA ARG 4 10.766 2.230 1.474
34 HB2 ARG 4 HB2 ARG 4 10.597 3.269 -0.857
35 HB3 ARG 4 HB3 ARG 4 8.860 3.031 -0.718
36 HG2 ARG 4 HG2 ARG 4 8.767 5.018 0.256
37 HG3 ARG 4 HG3 ARG 4 9.574 4.293 1.647
38 HD2 ARG 4 HD2 ARG 4 10.931 6.108 1.157
39 HD3 ARG 4 HD3 ARG 4 11.750 4.777 0.341
40 HE ARG 4 HE ARG 4 9.989 5.937 -1.481
41 HH11 ARG 4 HH11 ARG 4 12.866 6.780 0.288
42 HH12 ARG 4 HH12 ARG 4 13.430 7.900 -0.908
43 HH21 ARG 4 HH21 ARG 4 10.721 7.408 -3.063
44 HH22 ARG 4 HH22 ARG 4 12.209 8.257 -2.813
45 H LYS 5 H LYS 5 9.393 -0.236 1.806
46 HA LYS 5 HA LYS 5 7.231 0.629 3.432
47 HB2 LYS 5 HB2 LYS 5 6.481 0.363 0.821
48 HB3 LYS 5 HB3 LYS 5 6.142 -1.248 1.441
49 HG2 LYS 5 HG2 LYS 5 4.941 0.044 3.358
50 HG3 LYS 5 HG3 LYS 5 4.917 1.366 2.187
51 HD2 LYS 5 HD2 LYS 5 3.942 -0.371 0.559
52 HD3 LYS 5 HD3 LYS 5 3.630 -1.340 2.002
53 HE2 LYS 5 HE2 LYS 5 2.693 1.503 1.681
54 HE3 LYS 5 HE3 LYS 5 1.721 0.107 1.219
55 HZ1 LYS 5 HZ1 LYS 5 2.575 -0.420 3.775
56 HZ2 LYS 5 HZ2 LYS 5 1.022 0.062 3.309
57 HZ3 LYS 5 HZ3 LYS 5 2.155 1.218 3.800
58 H ASN 6 H ASN 6 9.631 -0.925 3.680
59 HA ASN 6 HA ASN 6 8.726 -3.007 5.308
60 HB2 ASN 6 HB2 ASN 6 8.734 -3.703 2.556
61 HB3 ASN 6 HB3 ASN 6 10.076 -4.555 3.312
62 HD21 ASN 6 HD21 ASN 6 9.677 -6.213 4.684
63 HD22 ASN 6 HD22 ASN 6 8.096 -6.823 5.024
64 H GLY 7 H GLY 7 11.296 -1.742 3.275
65 HA2 GLY 7 HA2 GLY 7 13.409 -3.021 4.745
66 HA3 GLY 7 HA3 GLY 7 13.595 -1.768 3.528
67 H ILE 8 H ILE 8 12.729 -2.330 6.911
68 HA ILE 8 HA ILE 8 12.646 0.331 7.754
69 HB ILE 8 HB ILE 8 13.535 -2.080 9.342
70 HG12 ILE 8 HG12 ILE 8 10.905 -1.185 9.988
71 HG13 ILE 8 HG13 ILE 8 11.001 -1.375 8.240
72 HG21 ILE 8 HG21 ILE 8 12.461 -0.503 11.182
73 HG22 ILE 8 HG22 ILE 8 14.161 -0.390 10.732
74 HG23 ILE 8 HG23 ILE 8 12.994 0.748 10.059
75 HD11 ILE 8 HD11 ILE 8 10.658 -3.537 8.528
76 HD12 ILE 8 HD12 ILE 8 12.231 -3.641 9.318
77 HD13 ILE 8 HD13 ILE 8 10.778 -3.370 10.279
78 H GLY 9 H GLY 9 15.373 -1.933 7.578
79 HA2 GLY 9 HA2 GLY 9 17.188 0.368 7.588
80 HA3 GLY 9 HA3 GLY 9 17.440 -0.884 8.795
81 H TYR 10 H TYR 10 16.261 -1.784 5.670
82 HA TYR 10 HA TYR 10 18.556 -3.443 5.220
83 HB2 TYR 10 HB2 TYR 10 16.043 -2.896 3.652
84 HB3 TYR 10 HB3 TYR 10 17.332 -3.910 3.013
85 HD1 TYR 10 HD1 TYR 10 15.366 -3.561 6.180
86 HD2 TYR 10 HD2 TYR 10 17.092 -6.180 3.306
87 HE1 TYR 10 HE1 TYR 10 14.438 -5.491 7.390
88 HE2 TYR 10 HE2 TYR 10 16.168 -8.117 4.507
89 HH TYR 10 HH TYR 10 15.448 -8.551 7.020
90 H ALA 11 H ALA 11 17.059 -0.855 3.270
91 HA ALA 11 HA ALA 11 19.305 -0.586 1.550
92 HB1 ALA 11 HB1 ALA 11 17.144 1.460 2.010
93 HB2 ALA 11 HB2 ALA 11 18.153 1.255 0.577
94 HB3 ALA 11 HB3 ALA 11 16.943 0.038 0.985
95 H ILE 12 H ILE 12 18.126 1.300 4.318
96 HA ILE 12 HA ILE 12 20.058 3.326 4.233
97 HB ILE 12 HB ILE 12 18.795 2.246 6.749
98 HG12 ILE 12 HG12 ILE 12 17.357 4.484 5.844
99 HG13 ILE 12 HG13 ILE 12 17.555 3.450 4.433
100 HG21 ILE 12 HG21 ILE 12 19.805 4.987 6.001
101 HG22 ILE 12 HG22 ILE 12 19.019 4.565 7.521
102 HG23 ILE 12 HG23 ILE 12 20.580 3.855 7.110
103 HD11 ILE 12 HD11 ILE 12 15.481 3.124 5.875
104 HD12 ILE 12 HD12 ILE 12 16.398 1.686 5.425
105 HD13 ILE 12 HD13 ILE 12 16.564 2.367 7.043
106 H GLY 13 H GLY 13 20.018 0.268 6.055
107 HA2 GLY 13 HA2 GLY 13 22.542 0.655 7.286
108 HA3 GLY 13 HA3 GLY 13 21.697 -0.878 7.126
109 H TYR 14 H TYR 14 21.597 -0.598 4.172
110 HA TYR 14 HA TYR 14 23.829 -2.103 3.503
111 HB2 TYR 14 HB2 TYR 14 21.646 -1.738 2.188
112 HB3 TYR 14 HB3 TYR 14 22.438 -0.316 1.519
113 HD1 TYR 14 HD1 TYR 14 24.407 -0.562 0.062
114 HD2 TYR 14 HD2 TYR 14 22.284 -3.952 1.511
115 HE1 TYR 14 HE1 TYR 14 25.499 -1.964 -1.638
116 HE2 TYR 14 HE2 TYR 14 23.370 -5.364 -0.184
117 HH TYR 14 HH TYR 14 25.559 -3.978 -2.602
118 H ALA 15 H ALA 15 23.266 1.364 2.907
119 HA ALA 15 HA ALA 15 25.878 1.826 1.870
120 HB1 ALA 15 HB1 ALA 15 25.236 4.264 2.269
121 HB2 ALA 15 HB2 ALA 15 24.235 3.334 1.153
122 HB3 ALA 15 HB3 ALA 15 23.672 3.640 2.796
123 H PHE 16 H PHE 16 24.357 2.371 5.027
124 HA PHE 16 HA PHE 16 26.385 3.729 6.314
125 HB2 PHE 16 HB2 PHE 16 24.075 2.145 7.106
126 HB3 PHE 16 HB3 PHE 16 25.398 2.001 8.259
127 HD1 PHE 16 HD2 PHE 16 26.607 4.506 8.508
128 HD2 PHE 16 HD1 PHE 16 22.501 3.659 7.774
129 HE1 PHE 16 HE2 PHE 16 25.988 6.674 9.491
130 HE2 PHE 16 HE1 PHE 16 21.875 5.827 8.754
131 HZ PHE 16 HZ PHE 16 23.619 7.337 9.615
132 H GLY 17 H GLY 17 25.985 0.221 5.939
133 HA2 GLY 17 HA2 GLY 17 28.211 -0.554 7.471
134 HA3 GLY 17 HA3 GLY 17 27.468 -1.511 6.198
135 H ALA 18 H ALA 18 27.961 0.551 4.160
136 HA ALA 18 HA ALA 18 30.584 -0.307 3.396
137 HB1 ALA 18 HB1 ALA 18 28.589 1.560 2.141
138 HB2 ALA 18 HB2 ALA 18 30.173 1.238 1.434
139 HB3 ALA 18 HB3 ALA 18 29.018 -0.078 1.645
140 H VAL 19 H VAL 19 29.152 2.759 4.446
141 HA VAL 19 HA VAL 19 31.303 4.454 4.054
142 HB VAL 19 HB VAL 19 29.278 4.493 6.294
143 HG11 VAL 19 HG11 VAL 19 31.393 6.450 5.481
144 HG12 VAL 19 HG12 VAL 19 29.901 7.000 6.245
145 HG13 VAL 19 HG13 VAL 19 30.965 5.876 7.092
146 HG21 VAL 19 HG21 VAL 19 28.855 4.799 3.616
147 HG22 VAL 19 HG22 VAL 19 27.844 5.491 4.885
148 HG23 VAL 19 HG23 VAL 19 29.110 6.465 4.137
149 H GLU 20 H GLU 20 30.832 2.002 6.475
150 HA GLU 20 HA GLU 20 32.885 2.932 8.244
151 HB2 GLU 20 HB2 GLU 20 31.940 0.089 8.165
152 HB3 GLU 20 HB3 GLU 20 32.423 1.057 9.550
153 HG2 GLU 20 HG2 GLU 20 30.303 2.470 8.829
154 HG3 GLU 20 HG3 GLU 20 29.821 0.920 8.142
155 H ARG 21 H ARG 21 32.661 0.347 5.818
156 HA ARG 21 HA ARG 21 35.243 -0.681 6.140
157 HB2 ARG 21 HB2 ARG 21 33.135 -0.814 4.079
158 HB3 ARG 21 HB3 ARG 21 34.767 -1.123 3.502
159 HG2 ARG 21 HG2 ARG 21 34.532 -3.214 4.186
160 HG3 ARG 21 HG3 ARG 21 34.531 -2.613 5.846
161 HD2 ARG 21 HD2 ARG 21 32.198 -2.582 5.957
162 HD3 ARG 21 HD3 ARG 21 32.024 -2.639 4.203
163 HE ARG 21 HE ARG 21 33.216 -4.989 4.749
164 HH11 ARG 21 HH11 ARG 21 30.425 -3.396 6.087
165 HH12 ARG 21 HH12 ARG 21 29.609 -4.873 6.482
166 HH21 ARG 21 HH21 ARG 21 32.153 -6.940 5.264
167 HH22 ARG 21 HH22 ARG 21 30.593 -6.888 6.014
168 H ALA 22 H ALA 22 34.074 2.122 4.427
169 HA ALA 22 HA ALA 22 36.192 2.611 2.692
170 HB1 ALA 22 HB1 ALA 22 34.809 4.271 2.188
171 HB2 ALA 22 HB2 ALA 22 33.939 4.064 3.709
172 HB3 ALA 22 HB3 ALA 22 35.353 5.115 3.638
173 H VAL 23 H VAL 23 35.759 3.741 6.042
174 HA VAL 23 HA VAL 23 38.399 4.898 6.118
175 HB VAL 23 HB VAL 23 36.711 4.396 8.548
176 HG11 VAL 23 HG11 VAL 23 38.375 5.545 9.474
177 HG12 VAL 23 HG12 VAL 23 39.079 5.907 7.897
178 HG13 VAL 23 HG13 VAL 23 37.826 6.953 8.565
179 HG21 VAL 23 HG21 VAL 23 35.118 5.324 7.066
180 HG22 VAL 23 HG22 VAL 23 35.681 6.658 8.073
181 HG23 VAL 23 HG23 VAL 23 36.282 6.484 6.424
182 H LEU 24 H LEU 24 36.875 1.915 7.101
183 HA LEU 24 HA LEU 24 38.691 0.941 8.949
184 HB2 LEU 24 HB2 LEU 24 36.472 -0.031 7.721
185 HB3 LEU 24 HB3 LEU 24 37.728 -1.031 6.995
186 HG LEU 24 HG LEU 24 38.302 -1.135 9.696
187 HD11 LEU 24 HD11 LEU 24 36.044 -1.914 10.595
188 HD12 LEU 24 HD12 LEU 24 35.337 -1.007 9.258
189 HD13 LEU 24 HD13 LEU 24 36.314 -0.176 10.468
190 HD21 LEU 24 HD21 LEU 24 37.881 -3.402 9.475
191 HD22 LEU 24 HD22 LEU 24 38.181 -2.903 7.810
192 HD23 LEU 24 HD23 LEU 24 36.527 -3.149 8.373
193 H GLY 25 H GLY 25 38.842 0.869 5.415
194 HA2 GLY 25 HA2 GLY 25 41.437 -0.475 5.519
195 HA3 GLY 25 HA3 GLY 25 40.496 -0.145 4.072
196 H GLY 26 H GLY 26 40.865 2.441 6.308
197 HA2 GLY 26 HA2 GLY 26 43.053 3.566 4.680
198 HA3 GLY 26 HA3 GLY 26 41.610 4.509 5.020
199 H SER 27 H SER 27 41.945 5.982 6.530
200 HA SER 27 HA SER 27 44.157 6.173 8.174
201 HB2 SER 27 HB2 SER 27 42.024 7.779 7.656
202 HB3 SER 27 HB3 SER 27 41.669 7.288 9.312
203 HG SER 27 HG SER 27 42.964 8.988 9.599
204 H ARG 28 H ARG 28 44.473 5.849 10.423
205 HA ARG 28 HA ARG 28 42.604 4.423 12.031
206 HB2 ARG 28 HB2 ARG 28 43.338 2.585 10.557
207 HB3 ARG 28 HB3 ARG 28 45.005 2.881 11.032
208 HG2 ARG 28 HG2 ARG 28 44.750 1.901 13.061
209 HG3 ARG 28 HG3 ARG 28 43.055 2.372 13.199
210 HD2 ARG 28 HD2 ARG 28 42.749 0.155 12.829
211 HD3 ARG 28 HD3 ARG 28 42.846 0.680 11.149
212 HE ARG 28 HE ARG 28 45.425 0.126 11.820
213 HH11 ARG 28 HH11 ARG 28 42.433 -1.649 11.947
214 HH12 ARG 28 HH12 ARG 28 43.187 -3.191 11.712
215 HH21 ARG 28 HH21 ARG 28 46.429 -1.898 11.510
216 HH22 ARG 28 HH22 ARG 28 45.461 -3.332 11.464
217 H ASP 29 H ASP 29 42.961 5.309 13.946
218 HA ASP 29 HA ASP 29 45.336 5.063 15.389
219 HB2 ASP 29 HB2 ASP 29 45.400 7.225 13.534
220 HB3 ASP 29 HB3 ASP 29 45.303 7.906 15.156
221 H TYR 30 H TYR 30 45.138 5.794 17.519
222 HA TYR 30 HA TYR 30 42.443 6.155 18.407
223 HB2 TYR 30 HB2 TYR 30 44.931 6.446 20.089
224 HB3 TYR 30 HB3 TYR 30 43.314 5.996 20.619
225 HD1 TYR 30 HD2 TYR 30 42.384 3.816 19.314
226 HD2 TYR 30 HD1 TYR 30 46.481 4.751 19.979
227 HE1 TYR 30 HE2 TYR 30 42.961 1.438 19.066
228 HE2 TYR 30 HE1 TYR 30 47.070 2.375 19.732
229 HH TYR 30 HH TYR 30 44.593 -0.104 19.384
230 H ASN 31 H ASN 31 45.354 8.132 19.011
231 HA ASN 31 HA ASN 31 44.266 10.567 18.184
232 HB2 ASN 31 HB2 ASN 31 44.054 11.525 20.611
233 HB3 ASN 31 HB3 ASN 31 42.697 10.664 19.890
234 HD21 ASN 31 HD21 ASN 31 41.954 8.865 20.839
235 HD22 ASN 31 HD22 ASN 31 42.642 8.143 22.250
236 H LYS 32 H LYS 32 46.198 9.273 20.885
237 HA LYS 32 HA LYS 32 48.176 11.350 20.599
238 HB2 LYS 32 HB2 LYS 32 47.399 9.921 22.722
239 HB3 LYS 32 HB3 LYS 32 48.742 8.911 22.203
240 HG2 LYS 32 HG2 LYS 32 50.187 10.951 22.256
241 HG3 LYS 32 HG3 LYS 32 48.832 11.812 22.992
242 HD2 LYS 32 HD2 LYS 32 49.747 11.139 24.932
243 HD3 LYS 32 HD3 LYS 32 48.977 9.594 24.562
244 HE2 LYS 32 HE2 LYS 32 50.971 8.673 23.742
245 HE3 LYS 32 HE3 LYS 32 51.736 10.253 23.580
246 HZ1 LYS 32 HZ1 LYS 32 51.092 10.017 26.243
247 HZ2 LYS 32 HZ2 LYS 32 52.633 9.888 25.559
248 HZ3 LYS 32 HZ3 LYS 32 51.702 8.499 25.814
Start of MODEL 16
1 H1 ARG 1 H ARG 1 4.138 3.297 -6.045
2 HA ARG 1 HA ARG 1 6.351 4.542 -4.844
3 HB2 ARG 1 HB2 ARG 1 3.516 4.456 -3.797
4 HB3 ARG 1 HB3 ARG 1 4.743 5.655 -3.409
5 HG2 ARG 1 HG2 ARG 1 4.701 5.928 -6.070
6 HG3 ARG 1 HG3 ARG 1 3.043 5.385 -5.804
7 HD2 ARG 1 HD2 ARG 1 3.769 7.361 -3.849
8 HD3 ARG 1 HD3 ARG 1 4.080 7.971 -5.474
9 HE ARG 1 HE ARG 1 1.556 6.827 -5.515
10 HH11 ARG 1 HH11 ARG 1 3.173 9.454 -3.902
11 HH12 ARG 1 HH12 ARG 1 1.738 10.411 -3.742
12 HH21 ARG 1 HH21 ARG 1 -0.340 8.077 -5.310
13 HH22 ARG 1 HH22 ARG 1 -0.260 9.626 -4.542
14 H ARG 2 H ARG 2 7.047 2.023 -4.458
15 HA ARG 2 HA ARG 2 7.014 1.768 -1.562
16 HB2 ARG 2 HB2 ARG 2 5.110 0.377 -2.616
17 HB3 ARG 2 HB3 ARG 2 6.394 -0.671 -3.205
18 HG2 ARG 2 HG2 ARG 2 7.149 -1.007 -0.885
19 HG3 ARG 2 HG3 ARG 2 5.797 -0.018 -0.328
20 HD2 ARG 2 HD2 ARG 2 5.666 -2.654 -1.781
21 HD3 ARG 2 HD3 ARG 2 5.184 -2.324 -0.117
22 HE ARG 2 HE ARG 2 3.638 -1.868 -2.480
23 HH11 ARG 2 HH11 ARG 2 4.207 -0.781 0.778
24 HH12 ARG 2 HH12 ARG 2 2.619 -0.115 0.972
25 HH21 ARG 2 HH21 ARG 2 1.545 -0.995 -2.237
26 HH22 ARG 2 HH22 ARG 2 1.106 -0.238 -0.744
27 H SER 3 H SER 3 9.161 2.006 -1.299
28 HA SER 3 HA SER 3 10.901 -0.128 -1.981
29 HB2 SER 3 HB2 SER 3 10.615 1.417 -4.129
30 HB3 SER 3 HB3 SER 3 11.822 2.391 -3.290
31 HG SER 3 HG SER 3 12.187 -0.383 -3.611
32 H ARG 4 H ARG 4 10.571 3.246 -1.017
33 HA ARG 4 HA ARG 4 13.028 3.169 0.524
34 HB2 ARG 4 HB2 ARG 4 12.286 5.510 1.185
35 HB3 ARG 4 HB3 ARG 4 12.630 5.251 -0.520
36 HG2 ARG 4 HG2 ARG 4 9.832 4.835 0.296
37 HG3 ARG 4 HG3 ARG 4 10.432 6.492 0.398
38 HD2 ARG 4 HD2 ARG 4 10.753 6.660 -1.864
39 HD3 ARG 4 HD3 ARG 4 11.007 4.927 -2.065
40 HE ARG 4 HE ARG 4 8.778 4.715 -2.486
41 HH11 ARG 4 HH11 ARG 4 9.296 7.684 -0.744
42 HH12 ARG 4 HH12 ARG 4 7.643 8.192 -0.859
43 HH21 ARG 4 HH21 ARG 4 6.600 5.372 -2.643
44 HH22 ARG 4 HH22 ARG 4 6.111 6.876 -1.939
45 H LYS 5 H LYS 5 11.545 1.208 1.510
46 HA LYS 5 HA LYS 5 11.155 1.965 4.224
47 HB2 LYS 5 HB2 LYS 5 9.012 2.747 3.151
48 HB3 LYS 5 HB3 LYS 5 8.667 1.065 2.766
49 HG2 LYS 5 HG2 LYS 5 9.232 0.994 5.461
50 HG3 LYS 5 HG3 LYS 5 8.349 2.510 5.263
51 HD2 LYS 5 HD2 LYS 5 6.573 1.113 5.525
52 HD3 LYS 5 HD3 LYS 5 6.787 0.940 3.782
53 HE2 LYS 5 HE2 LYS 5 6.538 -1.245 4.719
54 HE3 LYS 5 HE3 LYS 5 8.220 -1.051 4.229
55 HZ1 LYS 5 HZ1 LYS 5 8.766 -1.642 6.279
56 HZ2 LYS 5 HZ2 LYS 5 7.158 -1.594 6.804
57 HZ3 LYS 5 HZ3 LYS 5 8.102 -0.190 6.841
58 H ASN 6 H ASN 6 10.574 -0.418 1.688
59 HA ASN 6 HA ASN 6 10.267 -2.686 3.289
60 HB2 ASN 6 HB2 ASN 6 9.803 -2.657 0.871
61 HB3 ASN 6 HB3 ASN 6 11.525 -2.494 0.542
62 HD21 ASN 6 HD21 ASN 6 9.131 -4.598 2.049
63 HD22 ASN 6 HD22 ASN 6 9.981 -6.073 1.757
64 H GLY 7 H GLY 7 13.129 -0.929 2.323
65 HA2 GLY 7 HA2 GLY 7 14.924 -3.008 3.266
66 HA3 GLY 7 HA3 GLY 7 15.388 -1.447 2.606
67 H ILE 8 H ILE 8 14.237 -3.115 5.480
68 HA ILE 8 HA ILE 8 14.163 -1.000 7.275
69 HB ILE 8 HB ILE 8 15.079 -3.814 7.878
70 HG12 ILE 8 HG12 ILE 8 12.359 -3.255 8.615
71 HG13 ILE 8 HG13 ILE 8 12.586 -2.893 6.907
72 HG21 ILE 8 HG21 ILE 8 15.566 -2.650 9.801
73 HG22 ILE 8 HG22 ILE 8 14.253 -1.497 9.563
74 HG23 ILE 8 HG23 ILE 8 13.899 -3.136 10.110
75 HD11 ILE 8 HD11 ILE 8 11.828 -5.189 7.300
76 HD12 ILE 8 HD12 ILE 8 13.404 -5.129 6.511
77 HD13 ILE 8 HD13 ILE 8 13.292 -5.500 8.231
78 H GLY 9 H GLY 9 16.911 -3.091 6.414
79 HA2 GLY 9 HA2 GLY 9 18.713 -0.937 7.262
80 HA3 GLY 9 HA3 GLY 9 18.928 -2.528 7.977
81 H TYR 10 H TYR 10 17.847 -2.395 4.713
82 HA TYR 10 HA TYR 10 20.188 -3.770 3.807
83 HB2 TYR 10 HB2 TYR 10 17.733 -2.736 2.390
84 HB3 TYR 10 HB3 TYR 10 19.041 -3.557 1.546
85 HD1 TYR 10 HD1 TYR 10 16.659 -4.020 4.377
86 HD2 TYR 10 HD2 TYR 10 19.009 -5.873 1.354
87 HE1 TYR 10 HE1 TYR 10 15.641 -6.191 4.925
88 HE2 TYR 10 HE2 TYR 10 17.997 -8.049 1.893
89 HH TYR 10 HH TYR 10 15.448 -8.630 3.159
90 H ALA 11 H ALA 11 18.706 -0.661 2.875
91 HA ALA 11 HA ALA 11 20.966 0.172 1.353
92 HB1 ALA 11 HB1 ALA 11 18.503 1.574 2.341
93 HB2 ALA 11 HB2 ALA 11 19.782 2.435 1.483
94 HB3 ALA 11 HB3 ALA 11 18.926 1.110 0.692
95 H ILE 12 H ILE 12 19.715 1.075 4.558
96 HA ILE 12 HA ILE 12 21.687 2.965 5.184
97 HB ILE 12 HB ILE 12 20.300 1.186 7.185
98 HG12 ILE 12 HG12 ILE 12 18.941 3.637 6.986
99 HG13 ILE 12 HG13 ILE 12 19.180 3.096 5.329
100 HG21 ILE 12 HG21 ILE 12 20.523 3.157 8.647
101 HG22 ILE 12 HG22 ILE 12 22.082 2.529 8.117
102 HG23 ILE 12 HG23 ILE 12 21.416 3.980 7.369
103 HD11 ILE 12 HD11 ILE 12 17.750 1.676 7.551
104 HD12 ILE 12 HD12 ILE 12 17.095 2.252 6.018
105 HD13 ILE 12 HD13 ILE 12 18.209 0.885 6.043
106 H GLY 13 H GLY 13 21.508 -0.506 5.962
107 HA2 GLY 13 HA2 GLY 13 23.959 -0.631 7.353
108 HA3 GLY 13 HA3 GLY 13 23.125 -1.995 6.623
109 H TYR 14 H TYR 14 23.212 -0.702 3.949
110 HA TYR 14 HA TYR 14 25.479 -1.934 2.930
111 HB2 TYR 14 HB2 TYR 14 23.385 -1.082 1.698
112 HB3 TYR 14 HB3 TYR 14 24.220 0.465 1.616
113 HD1 TYR 14 HD2 TYR 14 26.309 0.676 0.310
114 HD2 TYR 14 HD1 TYR 14 24.032 -2.918 0.306
115 HE1 TYR 14 HE2 TYR 14 27.504 -0.072 -1.706
116 HE2 TYR 14 HE1 TYR 14 25.221 -3.676 -1.709
117 HH TYR 14 HH TYR 14 26.467 -2.545 -3.647
118 H ALA 15 H ALA 15 24.962 1.536 3.548
119 HA ALA 15 HA ALA 15 27.634 2.268 2.892
120 HB1 ALA 15 HB1 ALA 15 26.047 3.972 2.654
121 HB2 ALA 15 HB2 ALA 15 25.378 3.695 4.263
122 HB3 ALA 15 HB3 ALA 15 26.973 4.427 4.085
123 H PHE 16 H PHE 16 25.923 1.704 5.945
124 HA PHE 16 HA PHE 16 27.866 2.481 7.744
125 HB2 PHE 16 HB2 PHE 16 25.515 0.769 7.791
126 HB3 PHE 16 HB3 PHE 16 26.766 0.195 8.890
127 HD1 PHE 16 HD2 PHE 16 27.948 2.365 10.134
128 HD2 PHE 16 HD1 PHE 16 23.916 2.038 8.811
129 HE1 PHE 16 HE2 PHE 16 27.273 4.057 11.787
130 HE2 PHE 16 HE1 PHE 16 23.234 3.730 10.462
131 HZ PHE 16 HZ PHE 16 24.913 4.742 11.953
132 H GLY 17 H GLY 17 27.433 -0.747 6.296
133 HA2 GLY 17 HA2 GLY 17 29.589 -2.013 7.530
134 HA3 GLY 17 HA3 GLY 17 28.918 -2.465 5.969
135 H ALA 18 H ALA 18 29.523 0.089 4.718
136 HA ALA 18 HA ALA 18 32.208 -0.491 3.912
137 HB1 ALA 18 HB1 ALA 18 30.749 2.008 3.146
138 HB2 ALA 18 HB2 ALA 18 31.893 1.049 2.206
139 HB3 ALA 18 HB3 ALA 18 30.262 0.443 2.493
140 H VAL 19 H VAL 19 30.643 2.114 5.734
141 HA VAL 19 HA VAL 19 32.781 3.847 6.026
142 HB VAL 19 HB VAL 19 30.606 3.209 8.023
143 HG11 VAL 19 HG11 VAL 19 32.576 5.488 7.936
144 HG12 VAL 19 HG12 VAL 19 31.132 5.461 8.950
145 HG13 VAL 19 HG13 VAL 19 32.407 4.268 9.198
146 HG21 VAL 19 HG21 VAL 19 29.250 4.408 6.736
147 HG22 VAL 19 HG22 VAL 19 30.388 5.755 6.722
148 HG23 VAL 19 HG23 VAL 19 30.522 4.476 5.516
149 H GLU 20 H GLU 20 32.189 0.783 7.566
150 HA GLU 20 HA GLU 20 34.102 1.134 9.669
151 HB2 GLU 20 HB2 GLU 20 33.211 -1.552 8.682
152 HB3 GLU 20 HB3 GLU 20 33.585 -1.042 10.322
153 HG2 GLU 20 HG2 GLU 20 31.484 0.544 9.838
154 HG3 GLU 20 HG3 GLU 20 31.079 -0.812 8.787
155 H ARG 21 H ARG 21 34.087 -0.579 6.560
156 HA ARG 21 HA ARG 21 36.633 -1.710 6.723
157 HB2 ARG 21 HB2 ARG 21 34.711 -1.094 4.570
158 HB3 ARG 21 HB3 ARG 21 36.387 -1.242 4.058
159 HG2 ARG 21 HG2 ARG 21 35.486 -3.374 5.848
160 HG3 ARG 21 HG3 ARG 21 34.635 -3.305 4.304
161 HD2 ARG 21 HD2 ARG 21 37.039 -3.081 3.314
162 HD3 ARG 21 HD3 ARG 21 37.533 -3.778 4.857
163 HE ARG 21 HE ARG 21 35.517 -5.396 3.884
164 HH11 ARG 21 HH11 ARG 21 38.690 -4.382 2.875
165 HH12 ARG 21 HH12 ARG 21 39.021 -5.841 2.001
166 HH21 ARG 21 HH21 ARG 21 35.940 -7.322 2.738
167 HH22 ARG 21 HH22 ARG 21 37.456 -7.512 1.923
168 H ALA 22 H ALA 22 35.619 1.535 5.951
169 HA ALA 22 HA ALA 22 37.945 2.468 4.692
170 HB1 ALA 22 HB1 ALA 22 35.756 3.808 6.235
171 HB2 ALA 22 HB2 ALA 22 37.148 4.726 5.658
172 HB3 ALA 22 HB3 ALA 22 36.112 3.881 4.508
173 H VAL 23 H VAL 23 37.004 2.527 8.123
174 HA VAL 23 HA VAL 23 39.540 3.631 8.933
175 HB VAL 23 HB VAL 23 37.576 2.367 10.818
176 HG11 VAL 23 HG11 VAL 23 38.372 4.518 12.090
177 HG12 VAL 23 HG12 VAL 23 39.389 3.077 12.037
178 HG13 VAL 23 HG13 VAL 23 39.721 4.432 10.958
179 HG21 VAL 23 HG21 VAL 23 37.271 4.911 9.275
180 HG22 VAL 23 HG22 VAL 23 36.070 3.671 9.635
181 HG23 VAL 23 HG23 VAL 23 36.606 4.774 10.902
182 H LEU 24 H LEU 24 38.154 0.482 8.550
183 HA LEU 24 HA LEU 24 39.772 -0.996 10.297
184 HB2 LEU 24 HB2 LEU 24 37.728 -1.576 8.616
185 HB3 LEU 24 HB3 LEU 24 39.087 -2.272 7.736
186 HG LEU 24 HG LEU 24 39.388 -3.186 10.353
187 HD11 LEU 24 HD11 LEU 24 37.178 -2.549 10.978
188 HD12 LEU 24 HD12 LEU 24 37.180 -4.295 10.731
189 HD13 LEU 24 HD13 LEU 24 36.501 -3.231 9.499
190 HD21 LEU 24 HD21 LEU 24 38.004 -4.788 8.244
191 HD22 LEU 24 HD22 LEU 24 39.260 -5.277 9.382
192 HD23 LEU 24 HD23 LEU 24 39.669 -4.257 8.002
193 H GLY 25 H GLY 25 40.338 0.206 7.046
194 HA2 GLY 25 HA2 GLY 25 42.708 -1.306 6.570
195 HA3 GLY 25 HA3 GLY 25 42.187 0.115 5.677
196 H GLY 26 H GLY 26 42.051 1.663 8.252
197 HA2 GLY 26 HA2 GLY 26 44.725 2.680 8.143
198 HA3 GLY 26 HA3 GLY 26 43.441 3.237 9.206
199 H SER 27 H SER 27 44.405 3.283 11.154
200 HA SER 27 HA SER 27 44.828 0.894 12.576
201 HB2 SER 27 HB2 SER 27 47.376 1.456 12.972
202 HB3 SER 27 HB3 SER 27 46.881 0.469 11.597
203 HG SER 27 HG SER 27 48.356 2.223 11.096
204 H ARG 28 H ARG 28 43.629 1.847 14.167
205 HA ARG 28 HA ARG 28 43.167 3.105 16.005
206 HB2 ARG 28 HB2 ARG 28 46.098 3.828 15.991
207 HB3 ARG 28 HB3 ARG 28 45.002 3.844 17.366
208 HG2 ARG 28 HG2 ARG 28 44.766 1.369 17.099
209 HG3 ARG 28 HG3 ARG 28 46.046 1.443 15.886
210 HD2 ARG 28 HD2 ARG 28 46.307 2.387 18.738
211 HD3 ARG 28 HD3 ARG 28 46.867 0.827 18.138
212 HE ARG 28 HE ARG 28 48.188 3.332 17.867
213 HH11 ARG 28 HH11 ARG 28 47.629 0.294 16.262
214 HH12 ARG 28 HH12 ARG 28 49.104 0.352 15.355
215 HH21 ARG 28 HH21 ARG 28 50.133 3.421 16.679
216 HH22 ARG 28 HH22 ARG 28 50.528 2.131 15.594
217 H ASP 29 H ASP 29 42.379 4.357 13.828
218 HA ASP 29 HA ASP 29 43.475 6.807 13.137
219 HB2 ASP 29 HB2 ASP 29 41.531 5.604 12.032
220 HB3 ASP 29 HB3 ASP 29 40.508 6.277 13.298
221 H TYR 30 H TYR 30 40.648 6.425 15.279
222 HA TYR 30 HA TYR 30 39.825 7.767 16.929
223 HB2 TYR 30 HB2 TYR 30 42.776 7.942 17.568
224 HB3 TYR 30 HB3 TYR 30 41.481 8.413 18.663
225 HD1 TYR 30 HD2 TYR 30 39.570 6.388 18.716
226 HD2 TYR 30 HD1 TYR 30 43.763 5.947 18.142
227 HE1 TYR 30 HE2 TYR 30 39.437 4.080 19.556
228 HE2 TYR 30 HE1 TYR 30 43.641 3.638 18.979
229 HH TYR 30 HH TYR 30 40.824 1.933 19.264
230 H ASN 31 H ASN 31 39.281 9.292 15.122
231 HA ASN 31 HA ASN 31 39.766 11.933 15.885
232 HB2 ASN 31 HB2 ASN 31 41.924 10.914 14.446
233 HB3 ASN 31 HB3 ASN 31 41.012 11.842 13.259
234 HD21 ASN 31 HD21 ASN 31 41.444 13.919 13.142
235 HD22 ASN 31 HD22 ASN 31 42.183 14.875 14.377
236 H LYS 32 H LYS 32 39.475 10.232 12.760
237 HA LYS 32 HA LYS 32 37.951 10.403 11.077
238 HB2 LYS 32 HB2 LYS 32 36.455 10.271 13.578
239 HB3 LYS 32 HB3 LYS 32 35.551 11.065 12.296
240 HG2 LYS 32 HG2 LYS 32 35.931 9.115 10.847
241 HG3 LYS 32 HG3 LYS 32 36.776 8.316 12.175
242 HD2 LYS 32 HD2 LYS 32 34.809 8.190 13.478
243 HD3 LYS 32 HD3 LYS 32 33.952 9.323 12.430
244 HE2 LYS 32 HE2 LYS 32 34.606 7.382 10.658
245 HE3 LYS 32 HE3 LYS 32 34.413 6.430 12.129
246 HZ1 LYS 32 HZ1 LYS 32 32.415 8.059 10.705
247 HZ2 LYS 32 HZ2 LYS 32 32.226 7.745 12.356
248 HZ3 LYS 32 HZ3 LYS 32 32.295 6.463 11.254
Start of MODEL 17
1 H1 ARG 1 H ARG 1 7.609 1.777 -4.678
2 HA ARG 1 HA ARG 1 9.477 3.266 -5.106
3 HB2 ARG 1 HB2 ARG 1 7.450 5.283 -4.161
4 HB3 ARG 1 HB3 ARG 1 9.171 5.644 -4.200
5 HG2 ARG 1 HG2 ARG 1 9.048 6.142 -6.350
6 HG3 ARG 1 HG3 ARG 1 8.400 4.541 -6.714
7 HD2 ARG 1 HD2 ARG 1 6.198 5.683 -5.709
8 HD3 ARG 1 HD3 ARG 1 7.004 7.123 -6.332
9 HE ARG 1 HE ARG 1 7.098 5.271 -8.367
10 HH11 ARG 1 HH11 ARG 1 4.622 6.857 -6.504
11 HH12 ARG 1 HH12 ARG 1 3.451 6.815 -7.781
12 HH21 ARG 1 HH21 ARG 1 5.566 5.209 -10.056
13 HH22 ARG 1 HH22 ARG 1 3.989 5.876 -9.800
14 H ARG 2 H ARG 2 10.423 1.896 -3.602
15 HA ARG 2 HA ARG 2 9.862 1.833 -0.859
16 HB2 ARG 2 HB2 ARG 2 12.106 0.776 -0.639
17 HB3 ARG 2 HB3 ARG 2 11.105 0.046 -1.887
18 HG2 ARG 2 HG2 ARG 2 12.556 2.041 -3.189
19 HG3 ARG 2 HG3 ARG 2 13.701 1.259 -2.098
20 HD2 ARG 2 HD2 ARG 2 11.987 -0.058 -4.197
21 HD3 ARG 2 HD3 ARG 2 13.742 0.117 -4.209
22 HE ARG 2 HE ARG 2 12.891 -1.295 -1.905
23 HH11 ARG 2 HH11 ARG 2 13.349 -1.652 -5.338
24 HH12 ARG 2 HH12 ARG 2 13.625 -3.361 -5.256
25 HH21 ARG 2 HH21 ARG 2 13.252 -3.544 -1.784
26 HH22 ARG 2 HH22 ARG 2 13.568 -4.436 -3.233
27 H SER 3 H SER 3 10.370 3.136 0.782
28 HA SER 3 HA SER 3 12.712 4.772 0.818
29 HB2 SER 3 HB2 SER 3 11.431 6.949 0.992
30 HB3 SER 3 HB3 SER 3 11.485 6.237 -0.620
31 HG SER 3 HG SER 3 9.390 6.587 -0.437
32 H ARG 4 H ARG 4 13.262 4.236 2.839
33 HA ARG 4 HA ARG 4 13.201 3.995 5.101
34 HB2 ARG 4 HB2 ARG 4 12.188 6.490 4.529
35 HB3 ARG 4 HB3 ARG 4 10.942 5.802 5.562
36 HG2 ARG 4 HG2 ARG 4 13.863 5.901 6.281
37 HG3 ARG 4 HG3 ARG 4 12.674 7.111 6.770
38 HD2 ARG 4 HD2 ARG 4 12.366 4.180 7.372
39 HD3 ARG 4 HD3 ARG 4 13.195 5.295 8.457
40 HE ARG 4 HE ARG 4 10.674 6.350 7.845
41 HH11 ARG 4 HH11 ARG 4 12.099 3.687 9.576
42 HH12 ARG 4 HH12 ARG 4 10.800 3.563 10.716
43 HH21 ARG 4 HH21 ARG 4 8.957 6.197 9.339
44 HH22 ARG 4 HH22 ARG 4 9.013 4.991 10.579
45 H LYS 5 H LYS 5 11.534 2.255 3.500
46 HA LYS 5 HA LYS 5 9.970 1.114 5.607
47 HB2 LYS 5 HB2 LYS 5 8.586 2.999 4.304
48 HB3 LYS 5 HB3 LYS 5 8.303 1.655 3.205
49 HG2 LYS 5 HG2 LYS 5 6.496 1.746 4.753
50 HG3 LYS 5 HG3 LYS 5 7.475 0.330 5.141
51 HD2 LYS 5 HD2 LYS 5 8.308 1.274 7.079
52 HD3 LYS 5 HD3 LYS 5 8.017 2.923 6.523
53 HE2 LYS 5 HE2 LYS 5 5.570 1.367 6.738
54 HE3 LYS 5 HE3 LYS 5 6.437 1.476 8.270
55 HZ1 LYS 5 HZ1 LYS 5 4.903 3.453 6.954
56 HZ2 LYS 5 HZ2 LYS 5 6.486 4.010 7.163
57 HZ3 LYS 5 HZ3 LYS 5 5.588 3.493 8.501
58 H ASN 6 H ASN 6 12.162 0.355 3.885
59 HA ASN 6 HA ASN 6 11.435 -2.275 3.288
60 HB2 ASN 6 HB2 ASN 6 10.720 -0.416 1.237
61 HB3 ASN 6 HB3 ASN 6 12.025 -1.435 0.638
62 HD21 ASN 6 HD21 ASN 6 9.121 -1.271 -0.001
63 HD22 ASN 6 HD22 ASN 6 8.537 -2.888 0.174
64 H GLY 7 H GLY 7 13.552 0.441 2.594
65 HA2 GLY 7 HA2 GLY 7 15.816 -1.443 2.375
66 HA3 GLY 7 HA3 GLY 7 15.785 0.158 1.653
67 H ILE 8 H ILE 8 14.659 -0.536 4.901
68 HA ILE 8 HA ILE 8 16.114 1.533 6.085
69 HB ILE 8 HB ILE 8 15.031 -0.957 7.408
70 HG12 ILE 8 HG12 ILE 8 13.739 1.763 7.331
71 HG13 ILE 8 HG13 ILE 8 13.445 0.570 6.071
72 HG21 ILE 8 HG21 ILE 8 14.905 0.998 9.278
73 HG22 ILE 8 HG22 ILE 8 16.219 -0.170 9.146
74 HG23 ILE 8 HG23 ILE 8 16.391 1.435 8.435
75 HD11 ILE 8 HD11 ILE 8 12.366 -0.882 7.541
76 HD12 ILE 8 HD12 ILE 8 13.014 -0.066 8.965
77 HD13 ILE 8 HD13 ILE 8 11.775 0.719 7.985
78 H GLY 9 H GLY 9 16.638 -1.908 6.849
79 HA2 GLY 9 HA2 GLY 9 19.266 -1.465 7.817
80 HA3 GLY 9 HA3 GLY 9 18.547 -3.030 7.464
81 H TYR 10 H TYR 10 18.029 -1.956 4.644
82 HA TYR 10 HA TYR 10 20.268 -3.138 3.421
83 HB2 TYR 10 HB2 TYR 10 17.993 -1.461 2.401
84 HB3 TYR 10 HB3 TYR 10 19.299 -1.949 1.327
85 HD1 TYR 10 HD1 TYR 10 16.602 -3.226 3.519
86 HD2 TYR 10 HD2 TYR 10 19.393 -4.142 0.441
87 HE1 TYR 10 HE1 TYR 10 15.488 -5.390 3.161
88 HE2 TYR 10 HE2 TYR 10 18.286 -6.308 0.073
89 HH TYR 10 HH TYR 10 16.440 -7.532 0.528
90 H ALA 11 H ALA 11 19.293 0.285 3.605
91 HA ALA 11 HA ALA 11 21.681 1.248 2.390
92 HB1 ALA 11 HB1 ALA 11 20.022 2.977 4.163
93 HB2 ALA 11 HB2 ALA 11 20.791 3.352 2.620
94 HB3 ALA 11 HB3 ALA 11 19.329 2.366 2.661
95 H ILE 12 H ILE 12 20.501 1.484 5.752
96 HA ILE 12 HA ILE 12 22.757 2.588 6.898
97 HB ILE 12 HB ILE 12 20.888 0.570 8.145
98 HG12 ILE 12 HG12 ILE 12 20.697 3.447 8.794
99 HG13 ILE 12 HG13 ILE 12 20.217 3.007 7.158
100 HG21 ILE 12 HG21 ILE 12 21.688 2.043 10.214
101 HG22 ILE 12 HG22 ILE 12 22.539 0.586 9.702
102 HG23 ILE 12 HG23 ILE 12 23.136 2.172 9.215
103 HD11 ILE 12 HD11 ILE 12 18.703 2.835 9.509
104 HD12 ILE 12 HD12 ILE 12 18.266 2.280 7.892
105 HD13 ILE 12 HD13 ILE 12 19.055 1.177 9.019
106 H GLY 13 H GLY 13 21.987 -0.867 6.507
107 HA2 GLY 13 HA2 GLY 13 24.328 -1.861 7.708
108 HA3 GLY 13 HA3 GLY 13 23.324 -2.731 6.558
109 H TYR 14 H TYR 14 23.697 -0.726 4.454
110 HA TYR 14 HA TYR 14 25.873 -1.854 3.127
111 HB2 TYR 14 HB2 TYR 14 23.909 -0.522 2.157
112 HB3 TYR 14 HB3 TYR 14 24.840 0.918 2.552
113 HD1 TYR 14 HD2 TYR 14 27.025 1.317 1.432
114 HD2 TYR 14 HD1 TYR 14 24.456 -1.869 0.270
115 HE1 TYR 14 HE2 TYR 14 28.248 1.113 -0.692
116 HE2 TYR 14 HE1 TYR 14 25.673 -2.084 -1.856
117 HH TYR 14 HH TYR 14 27.120 -0.928 -3.274
118 H ALA 15 H ALA 15 25.633 1.333 4.701
119 HA ALA 15 HA ALA 15 28.350 2.022 4.280
120 HB1 ALA 15 HB1 ALA 15 27.850 3.714 6.141
121 HB2 ALA 15 HB2 ALA 15 26.920 3.830 4.646
122 HB3 ALA 15 HB3 ALA 15 26.200 3.091 6.077
123 H PHE 16 H PHE 16 26.615 0.564 6.997
124 HA PHE 16 HA PHE 16 28.615 0.603 8.914
125 HB2 PHE 16 HB2 PHE 16 26.163 -0.923 8.443
126 HB3 PHE 16 HB3 PHE 16 27.377 -1.828 9.341
127 HD1 PHE 16 HD2 PHE 16 28.619 -0.115 11.139
128 HD2 PHE 16 HD1 PHE 16 24.587 0.039 9.785
129 HE1 PHE 16 HE2 PHE 16 27.976 1.067 13.199
130 HE2 PHE 16 HE1 PHE 16 23.937 1.222 11.842
131 HZ PHE 16 HZ PHE 16 25.632 1.737 13.553
132 H GLY 17 H GLY 17 27.979 -1.865 6.433
133 HA2 GLY 17 HA2 GLY 17 30.017 -3.646 7.150
134 HA3 GLY 17 HA3 GLY 17 29.324 -3.497 5.542
135 H ALA 18 H ALA 18 30.124 -0.708 5.235
136 HA ALA 18 HA ALA 18 32.757 -1.171 4.209
137 HB1 ALA 18 HB1 ALA 18 31.393 1.500 4.396
138 HB2 ALA 18 HB2 ALA 18 32.601 0.963 3.228
139 HB3 ALA 18 HB3 ALA 18 30.967 0.302 3.175
140 H VAL 19 H VAL 19 31.397 0.745 6.862
141 HA VAL 19 HA VAL 19 33.663 2.106 7.682
142 HB VAL 19 HB VAL 19 31.443 0.975 9.389
143 HG11 VAL 19 HG11 VAL 19 33.858 2.502 10.070
144 HG12 VAL 19 HG12 VAL 19 32.354 3.145 10.733
145 HG13 VAL 19 HG13 VAL 19 32.833 1.483 11.082
146 HG21 VAL 19 HG21 VAL 19 31.696 3.857 8.722
147 HG22 VAL 19 HG22 VAL 19 31.124 2.767 7.459
148 HG23 VAL 19 HG23 VAL 19 30.253 2.879 8.988
149 H GLU 20 H GLU 20 32.819 -1.248 8.099
150 HA GLU 20 HA GLU 20 34.766 -1.787 10.130
151 HB2 GLU 20 HB2 GLU 20 33.642 -3.897 8.322
152 HB3 GLU 20 HB3 GLU 20 34.067 -4.008 10.024
153 HG2 GLU 20 HG2 GLU 20 32.103 -2.174 10.148
154 HG3 GLU 20 HG3 GLU 20 31.577 -3.105 8.746
155 H ARG 21 H ARG 21 34.602 -2.247 6.621
156 HA ARG 21 HA ARG 21 37.005 -3.616 6.269
157 HB2 ARG 21 HB2 ARG 21 35.181 -2.044 4.572
158 HB3 ARG 21 HB3 ARG 21 36.840 -2.120 3.994
159 HG2 ARG 21 HG2 ARG 21 36.625 -4.237 3.339
160 HG3 ARG 21 HG3 ARG 21 35.820 -4.709 4.836
161 HD2 ARG 21 HD2 ARG 21 34.342 -5.045 2.941
162 HD3 ARG 21 HD3 ARG 21 33.718 -3.771 3.987
163 HE ARG 21 HE ARG 21 35.199 -2.470 2.083
164 HH11 ARG 21 HH11 ARG 21 32.486 -4.652 2.075
165 HH12 ARG 21 HH12 ARG 21 31.800 -4.000 0.624
166 HH21 ARG 21 HH21 ARG 21 34.305 -1.604 0.171
167 HH22 ARG 21 HH22 ARG 21 32.836 -2.268 -0.459
168 H ALA 22 H ALA 22 36.382 -0.259 6.899
169 HA ALA 22 HA ALA 22 38.809 0.841 5.995
170 HB1 ALA 22 HB1 ALA 22 36.843 1.724 8.091
171 HB2 ALA 22 HB2 ALA 22 38.279 2.663 7.679
172 HB3 ALA 22 HB3 ALA 22 37.053 2.343 6.452
173 H VAL 23 H VAL 23 37.835 -0.274 9.235
174 HA VAL 23 HA VAL 23 40.496 0.101 10.286
175 HB VAL 23 HB VAL 23 38.340 -1.458 11.675
176 HG11 VAL 23 HG11 VAL 23 39.937 -1.462 13.231
177 HG12 VAL 23 HG12 VAL 23 40.890 -0.254 12.367
178 HG13 VAL 23 HG13 VAL 23 39.591 0.254 13.447
179 HG21 VAL 23 HG21 VAL 23 37.158 0.467 10.935
180 HG22 VAL 23 HG22 VAL 23 37.578 0.744 12.625
181 HG23 VAL 23 HG23 VAL 23 38.503 1.531 11.346
182 H LEU 24 H LEU 24 38.662 -2.466 8.861
183 HA LEU 24 HA LEU 24 39.865 -4.731 9.879
184 HB2 LEU 24 HB2 LEU 24 38.073 -4.208 7.897
185 HB3 LEU 24 HB3 LEU 24 39.462 -4.778 6.973
186 HG LEU 24 HG LEU 24 38.032 -6.640 7.350
187 HD11 LEU 24 HD11 LEU 24 40.161 -6.957 9.439
188 HD12 LEU 24 HD12 LEU 24 40.549 -6.865 7.722
189 HD13 LEU 24 HD13 LEU 24 39.516 -8.161 8.324
190 HD21 LEU 24 HD21 LEU 24 37.425 -7.354 9.652
191 HD22 LEU 24 HD22 LEU 24 36.693 -5.824 9.168
192 HD23 LEU 24 HD23 LEU 24 38.083 -5.833 10.255
193 H GLY 25 H GLY 25 40.964 -2.685 7.189
194 HA2 GLY 25 HA2 GLY 25 43.701 -3.523 7.699
195 HA3 GLY 25 HA3 GLY 25 43.055 -3.969 6.127
196 H GLY 26 H GLY 26 43.192 -1.088 8.235
197 HA2 GLY 26 HA2 GLY 26 44.245 0.427 5.954
198 HA3 GLY 26 HA3 GLY 26 42.778 1.006 6.730
199 H SER 27 H SER 27 43.239 2.722 7.927
200 HA SER 27 HA SER 27 44.958 2.574 10.165
201 HB2 SER 27 HB2 SER 27 46.814 3.848 9.547
202 HB3 SER 27 HB3 SER 27 46.552 2.848 8.118
203 HG SER 27 HG SER 27 46.809 5.320 7.984
204 H ARG 28 H ARG 28 44.914 4.497 11.456
205 HA ARG 28 HA ARG 28 43.908 6.315 12.380
206 HB2 ARG 28 HB2 ARG 28 44.693 7.217 10.045
207 HB3 ARG 28 HB3 ARG 28 42.971 7.225 9.687
208 HG2 ARG 28 HG2 ARG 28 42.517 8.834 11.312
209 HG3 ARG 28 HG3 ARG 28 44.054 8.564 12.137
210 HD2 ARG 28 HD2 ARG 28 44.438 10.553 11.023
211 HD3 ARG 28 HD3 ARG 28 45.102 9.363 9.904
212 HE ARG 28 HE ARG 28 42.418 9.806 9.243
213 HH11 ARG 28 HH11 ARG 28 45.472 11.477 9.227
214 HH12 ARG 28 HH12 ARG 28 45.056 12.494 7.888
215 HH21 ARG 28 HH21 ARG 28 41.859 11.140 7.479
216 HH22 ARG 28 HH22 ARG 28 43.001 12.302 6.895
217 H ASP 29 H ASP 29 42.310 5.068 13.401
218 HA ASP 29 HA ASP 29 39.922 4.198 12.225
219 HB2 ASP 29 HB2 ASP 29 40.183 5.027 15.113
220 HB3 ASP 29 HB3 ASP 29 39.137 3.785 14.429
221 H TYR 30 H TYR 30 37.827 5.148 13.699
222 HA TYR 30 HA TYR 30 37.586 7.928 13.897
223 HB2 TYR 30 HB2 TYR 30 37.743 7.197 11.248
224 HB3 TYR 30 HB3 TYR 30 36.006 7.266 11.518
225 HD1 TYR 30 HD1 TYR 30 38.926 9.323 12.641
226 HD2 TYR 30 HD2 TYR 30 35.094 9.250 10.793
227 HE1 TYR 30 HE1 TYR 30 38.996 11.771 12.414
228 HE2 TYR 30 HE2 TYR 30 35.154 11.697 10.560
229 HH TYR 30 HH TYR 30 36.899 13.494 10.441
230 H ASN 31 H ASN 31 36.069 8.028 15.402
231 HA ASN 31 HA ASN 31 34.262 6.026 16.053
232 HB2 ASN 31 HB2 ASN 31 34.648 8.852 16.779
233 HB3 ASN 31 HB3 ASN 31 32.996 8.272 16.971
234 HD21 ASN 31 HD21 ASN 31 33.281 8.586 19.231
235 HD22 ASN 31 HD22 ASN 31 34.119 7.409 20.179
236 H LYS 32 H LYS 32 33.630 9.034 14.250
237 HA LYS 32 HA LYS 32 31.798 7.765 12.485
238 HB2 LYS 32 HB2 LYS 32 30.594 8.219 14.824
239 HB3 LYS 32 HB3 LYS 32 30.395 9.819 14.122
240 HG2 LYS 32 HG2 LYS 32 28.449 8.740 13.509
241 HG3 LYS 32 HG3 LYS 32 29.461 8.556 12.075
242 HD2 LYS 32 HD2 LYS 32 30.132 6.345 13.537
243 HD3 LYS 32 HD3 LYS 32 28.419 6.534 13.919
244 HE2 LYS 32 HE2 LYS 32 27.975 6.685 11.462
245 HE3 LYS 32 HE3 LYS 32 29.668 6.276 11.188
246 HZ1 LYS 32 HZ1 LYS 32 27.799 4.447 11.256
247 HZ2 LYS 32 HZ2 LYS 32 28.105 4.512 12.918
248 HZ3 LYS 32 HZ3 LYS 32 29.356 4.138 11.842
Start of MODEL 18
1 H1 ARG 1 H ARG 1 1.825 3.412 0.294
2 HA ARG 1 HA ARG 1 2.873 1.960 2.600
3 HB2 ARG 1 HB2 ARG 1 3.486 0.031 1.102
4 HB3 ARG 1 HB3 ARG 1 1.768 0.193 1.444
5 HG2 ARG 1 HG2 ARG 1 1.270 0.421 -0.708
6 HG3 ARG 1 HG3 ARG 1 2.528 1.635 -0.947
7 HD2 ARG 1 HD2 ARG 1 3.133 -1.303 -0.752
8 HD3 ARG 1 HD3 ARG 1 2.735 -0.521 -2.281
9 HE ARG 1 HE ARG 1 5.200 -0.306 -0.808
10 HH11 ARG 1 HH11 ARG 1 3.131 1.167 -3.189
11 HH12 ARG 1 HH12 ARG 1 4.410 2.068 -3.933
12 HH21 ARG 1 HH21 ARG 1 6.892 0.874 -1.779
13 HH22 ARG 1 HH22 ARG 1 6.549 1.900 -3.131
14 H ARG 2 H ARG 2 5.094 1.888 2.701
15 HA ARG 2 HA ARG 2 6.669 2.812 0.439
16 HB2 ARG 2 HB2 ARG 2 5.857 4.791 1.942
17 HB3 ARG 2 HB3 ARG 2 7.090 4.213 3.055
18 HG2 ARG 2 HG2 ARG 2 8.800 4.906 1.743
19 HG3 ARG 2 HG3 ARG 2 7.914 4.614 0.245
20 HD2 ARG 2 HD2 ARG 2 7.802 6.865 0.185
21 HD3 ARG 2 HD3 ARG 2 6.446 6.620 1.284
22 HE ARG 2 HE ARG 2 7.692 7.536 2.978
23 HH11 ARG 2 HH11 ARG 2 9.772 6.782 0.290
24 HH12 ARG 2 HH12 ARG 2 11.148 7.597 0.958
25 HH21 ARG 2 HH21 ARG 2 9.496 8.611 3.868
26 HH22 ARG 2 HH22 ARG 2 10.990 8.636 2.994
27 H SER 3 H SER 3 7.619 0.770 0.458
28 HA SER 3 HA SER 3 9.846 0.479 2.221
29 HB2 SER 3 HB2 SER 3 9.191 -1.203 3.614
30 HB3 SER 3 HB3 SER 3 7.596 -0.503 3.339
31 HG SER 3 HG SER 3 8.725 -2.842 2.289
32 H ARG 4 H ARG 4 7.703 -1.029 -0.142
33 HA ARG 4 HA ARG 4 9.812 -2.748 -1.139
34 HB2 ARG 4 HB2 ARG 4 7.188 -3.149 -1.030
35 HB3 ARG 4 HB3 ARG 4 7.247 -2.381 -2.611
36 HG2 ARG 4 HG2 ARG 4 7.533 -4.494 -3.317
37 HG3 ARG 4 HG3 ARG 4 9.220 -4.177 -2.905
38 HD2 ARG 4 HD2 ARG 4 8.836 -6.186 -1.835
39 HD3 ARG 4 HD3 ARG 4 8.526 -5.022 -0.547
40 HE ARG 4 HE ARG 4 6.087 -5.419 -1.695
41 HH11 ARG 4 HH11 ARG 4 8.509 -7.499 -0.308
42 HH12 ARG 4 HH12 ARG 4 7.368 -8.686 0.233
43 HH21 ARG 4 HH21 ARG 4 4.574 -6.973 -0.988
44 HH22 ARG 4 HH22 ARG 4 5.130 -8.385 -0.156
45 H LYS 5 H LYS 5 10.813 -0.321 -1.377
46 HA LYS 5 HA LYS 5 11.403 -0.039 -4.093
47 HB2 LYS 5 HB2 LYS 5 8.929 1.019 -3.608
48 HB3 LYS 5 HB3 LYS 5 9.959 2.429 -3.396
49 HG2 LYS 5 HG2 LYS 5 10.674 0.934 -5.766
50 HG3 LYS 5 HG3 LYS 5 8.980 1.430 -5.784
51 HD2 LYS 5 HD2 LYS 5 9.515 3.573 -6.124
52 HD3 LYS 5 HD3 LYS 5 10.745 3.546 -4.858
53 HE2 LYS 5 HE2 LYS 5 12.407 2.817 -6.328
54 HE3 LYS 5 HE3 LYS 5 11.236 2.267 -7.526
55 HZ1 LYS 5 HZ1 LYS 5 11.525 5.124 -6.810
56 HZ2 LYS 5 HZ2 LYS 5 10.775 4.456 -8.170
57 HZ3 LYS 5 HZ3 LYS 5 12.459 4.405 -8.024
58 H ASN 6 H ASN 6 12.783 -0.127 -1.636
59 HA ASN 6 HA ASN 6 14.685 1.886 -1.998
60 HB2 ASN 6 HB2 ASN 6 12.428 2.759 -0.500
61 HB3 ASN 6 HB3 ASN 6 13.787 2.620 0.612
62 HD21 ASN 6 HD21 ASN 6 14.859 4.429 0.843
63 HD22 ASN 6 HD22 ASN 6 15.113 5.633 -0.371
64 H GLY 7 H GLY 7 13.146 -0.369 0.212
65 HA2 GLY 7 HA2 GLY 7 14.063 -2.028 1.517
66 HA3 GLY 7 HA3 GLY 7 15.605 -1.703 0.739
67 H ILE 8 H ILE 8 13.828 -1.467 3.590
68 HA ILE 8 HA ILE 8 14.971 0.796 4.805
69 HB ILE 8 HB ILE 8 13.984 -1.735 6.125
70 HG12 ILE 8 HG12 ILE 8 12.064 0.142 6.541
71 HG13 ILE 8 HG13 ILE 8 12.639 0.617 4.946
72 HG21 ILE 8 HG21 ILE 8 15.305 -0.549 7.697
73 HG22 ILE 8 HG22 ILE 8 14.607 0.997 7.219
74 HG23 ILE 8 HG23 ILE 8 13.622 -0.187 8.077
75 HD11 ILE 8 HD11 ILE 8 12.311 -2.185 4.920
76 HD12 ILE 8 HD12 ILE 8 10.868 -1.484 5.653
77 HD13 ILE 8 HD13 ILE 8 11.386 -0.961 4.050
78 H GLY 9 H GLY 9 15.703 -2.569 5.725
79 HA2 GLY 9 HA2 GLY 9 18.156 -1.931 6.949
80 HA3 GLY 9 HA3 GLY 9 17.647 -3.541 6.461
81 H TYR 10 H TYR 10 17.348 -2.396 3.637
82 HA TYR 10 HA TYR 10 19.833 -3.287 2.657
83 HB2 TYR 10 HB2 TYR 10 17.535 -1.804 1.402
84 HB3 TYR 10 HB3 TYR 10 18.992 -2.176 0.488
85 HD1 TYR 10 HD1 TYR 10 16.194 -3.704 2.379
86 HD2 TYR 10 HD2 TYR 10 19.339 -4.327 -0.418
87 HE1 TYR 10 HE1 TYR 10 15.305 -5.944 1.888
88 HE2 TYR 10 HE2 TYR 10 18.458 -6.569 -0.917
89 HH TYR 10 HH TYR 10 15.675 -7.583 -0.518
90 H ALA 11 H ALA 11 18.455 -0.003 2.790
91 HA ALA 11 HA ALA 11 20.842 1.263 1.897
92 HB1 ALA 11 HB1 ALA 11 18.334 2.086 1.954
93 HB2 ALA 11 HB2 ALA 11 18.842 2.769 3.499
94 HB3 ALA 11 HB3 ALA 11 19.680 3.224 2.016
95 H ILE 12 H ILE 12 19.259 1.253 5.098
96 HA ILE 12 HA ILE 12 21.222 2.558 6.530
97 HB ILE 12 HB ILE 12 19.479 0.292 7.506
98 HG12 ILE 12 HG12 ILE 12 18.808 3.058 8.228
99 HG13 ILE 12 HG13 ILE 12 18.679 2.721 6.506
100 HG21 ILE 12 HG21 ILE 12 20.858 0.456 9.285
101 HG22 ILE 12 HG22 ILE 12 21.409 2.071 8.845
102 HG23 ILE 12 HG23 ILE 12 19.860 1.860 9.660
103 HD11 ILE 12 HD11 ILE 12 17.455 0.566 7.804
104 HD12 ILE 12 HD12 ILE 12 16.899 2.022 8.630
105 HD13 ILE 12 HD13 ILE 12 16.683 1.859 6.887
106 H GLY 13 H GLY 13 20.910 -0.946 5.975
107 HA2 GLY 13 HA2 GLY 13 23.199 -1.709 7.422
108 HA3 GLY 13 HA3 GLY 13 22.441 -2.648 6.144
109 H TYR 14 H TYR 14 22.832 -0.446 4.192
110 HA TYR 14 HA TYR 14 25.272 -1.302 3.101
111 HB2 TYR 14 HB2 TYR 14 23.279 -0.207 1.914
112 HB3 TYR 14 HB3 TYR 14 23.962 1.329 2.434
113 HD1 TYR 14 HD1 TYR 14 26.183 2.044 1.585
114 HD2 TYR 14 HD2 TYR 14 24.228 -1.431 0.099
115 HE1 TYR 14 HE1 TYR 14 27.668 2.054 -0.376
116 HE2 TYR 14 HE2 TYR 14 25.708 -1.431 -1.865
117 HH TYR 14 HH TYR 14 27.086 0.467 -3.130
118 H ALA 15 H ALA 15 24.429 1.784 4.670
119 HA ALA 15 HA ALA 15 27.064 2.826 4.593
120 HB1 ALA 15 HB1 ALA 15 26.126 4.391 6.394
121 HB2 ALA 15 HB2 ALA 15 25.378 4.426 4.797
122 HB3 ALA 15 HB3 ALA 15 24.592 3.564 6.121
123 H PHE 16 H PHE 16 25.221 1.078 7.054
124 HA PHE 16 HA PHE 16 26.916 1.325 9.219
125 HB2 PHE 16 HB2 PHE 16 24.811 -0.515 8.387
126 HB3 PHE 16 HB3 PHE 16 26.031 -1.298 9.386
127 HD1 PHE 16 HD2 PHE 16 26.785 0.422 11.416
128 HD2 PHE 16 HD1 PHE 16 22.968 0.159 9.552
129 HE1 PHE 16 HE2 PHE 16 25.739 1.367 13.433
130 HE2 PHE 16 HE1 PHE 16 21.916 1.104 11.565
131 HZ PHE 16 HZ PHE 16 23.301 1.708 13.509
132 H GLY 17 H GLY 17 27.053 -1.049 6.581
133 HA2 GLY 17 HA2 GLY 17 29.228 -2.538 7.555
134 HA3 GLY 17 HA3 GLY 17 28.742 -2.430 5.869
135 H ALA 18 H ALA 18 29.110 0.466 5.749
136 HA ALA 18 HA ALA 18 31.895 0.471 5.083
137 HB1 ALA 18 HB1 ALA 18 31.431 2.898 4.528
138 HB2 ALA 18 HB2 ALA 18 30.488 1.699 3.642
139 HB3 ALA 18 HB3 ALA 18 29.756 2.581 4.982
140 H VAL 19 H VAL 19 29.908 2.022 7.573
141 HA VAL 19 HA VAL 19 31.798 3.676 8.734
142 HB VAL 19 HB VAL 19 29.582 2.134 10.087
143 HG11 VAL 19 HG11 VAL 19 31.466 4.225 11.094
144 HG12 VAL 19 HG12 VAL 19 29.824 4.133 11.734
145 HG13 VAL 19 HG13 VAL 19 30.907 2.748 11.879
146 HG21 VAL 19 HG21 VAL 19 28.195 3.952 9.695
147 HG22 VAL 19 HG22 VAL 19 29.545 5.050 9.409
148 HG23 VAL 19 HG23 VAL 19 29.119 3.843 8.196
149 H GLU 20 H GLU 20 31.476 0.218 8.915
150 HA GLU 20 HA GLU 20 33.179 -0.120 11.194
151 HB2 GLU 20 HB2 GLU 20 32.694 -2.272 9.164
152 HB3 GLU 20 HB3 GLU 20 32.886 -2.415 10.905
153 HG2 GLU 20 HG2 GLU 20 30.642 -0.927 10.788
154 HG3 GLU 20 HG3 GLU 20 30.486 -1.864 9.303
155 H ARG 21 H ARG 21 33.592 -0.414 7.685
156 HA ARG 21 HA ARG 21 36.225 -1.335 7.663
157 HB2 ARG 21 HB2 ARG 21 34.433 0.023 5.742
158 HB3 ARG 21 HB3 ARG 21 36.154 0.158 5.409
159 HG2 ARG 21 HG2 ARG 21 35.758 -2.528 6.012
160 HG3 ARG 21 HG3 ARG 21 34.374 -2.071 5.018
161 HD2 ARG 21 HD2 ARG 21 36.123 -0.971 3.479
162 HD3 ARG 21 HD3 ARG 21 37.295 -1.957 4.354
163 HE ARG 21 HE ARG 21 35.412 -2.851 2.388
164 HH11 ARG 21 HH11 ARG 21 37.256 -3.791 5.187
165 HH12 ARG 21 HH12 ARG 21 37.272 -5.474 4.772
166 HH21 ARG 21 HH21 ARG 21 35.426 -5.063 1.832
167 HH22 ARG 21 HH22 ARG 21 36.232 -6.196 2.863
168 H ALA 22 H ALA 22 34.929 1.854 8.192
169 HA ALA 22 HA ALA 22 37.206 3.400 7.684
170 HB1 ALA 22 HB1 ALA 22 34.674 3.753 9.120
171 HB2 ALA 22 HB2 ALA 22 35.999 4.761 9.704
172 HB3 ALA 22 HB3 ALA 22 35.514 4.837 8.010
173 H VAL 23 H VAL 23 36.089 1.905 10.713
174 HA VAL 23 HA VAL 23 38.455 2.729 12.140
175 HB VAL 23 HB VAL 23 36.529 0.651 13.131
176 HG11 VAL 23 HG11 VAL 23 38.333 0.955 14.600
177 HG12 VAL 23 HG12 VAL 23 38.324 2.706 14.386
178 HG13 VAL 23 HG13 VAL 23 37.028 1.921 15.288
179 HG21 VAL 23 HG21 VAL 23 36.081 3.619 12.946
180 HG22 VAL 23 HG22 VAL 23 35.042 2.321 12.359
181 HG23 VAL 23 HG23 VAL 23 35.221 2.592 14.093
182 H LEU 24 H LEU 24 37.251 -0.196 10.608
183 HA LEU 24 HA LEU 24 39.022 -2.069 11.637
184 HB2 LEU 24 HB2 LEU 24 37.036 -2.091 9.777
185 HB3 LEU 24 HB3 LEU 24 38.460 -2.335 8.768
186 HG LEU 24 HG LEU 24 38.688 -4.114 10.948
187 HD11 LEU 24 HD11 LEU 24 36.365 -3.934 11.436
188 HD12 LEU 24 HD12 LEU 24 36.609 -5.455 10.577
189 HD13 LEU 24 HD13 LEU 24 35.936 -4.063 9.730
190 HD21 LEU 24 HD21 LEU 24 37.985 -4.511 8.044
191 HD22 LEU 24 HD22 LEU 24 38.443 -5.808 9.149
192 HD23 LEU 24 HD23 LEU 24 39.596 -4.529 8.763
193 H GLY 25 H GLY 25 39.407 0.048 8.806
194 HA2 GLY 25 HA2 GLY 25 42.170 0.397 9.163
195 HA3 GLY 25 HA3 GLY 25 41.928 -0.904 8.007
196 H GLY 26 H GLY 26 40.505 2.315 8.621
197 HA2 GLY 26 HA2 GLY 26 41.015 2.945 5.784
198 HA3 GLY 26 HA3 GLY 26 39.448 3.270 6.509
199 H SER 27 H SER 27 39.305 4.876 8.173
200 HA SER 27 HA SER 27 40.759 7.210 7.596
201 HB2 SER 27 HB2 SER 27 39.367 6.813 10.229
202 HB3 SER 27 HB3 SER 27 39.460 8.263 9.230
203 HG SER 27 HG SER 27 37.646 6.240 9.179
204 H ARG 28 H ARG 28 42.616 8.017 8.350
205 HA ARG 28 HA ARG 28 44.228 6.392 10.106
206 HB2 ARG 28 HB2 ARG 28 45.962 8.140 9.689
207 HB3 ARG 28 HB3 ARG 28 45.326 7.402 8.225
208 HG2 ARG 28 HG2 ARG 28 43.792 9.731 8.911
209 HG3 ARG 28 HG3 ARG 28 45.511 10.123 8.825
210 HD2 ARG 28 HD2 ARG 28 44.395 8.429 6.665
211 HD3 ARG 28 HD3 ARG 28 43.915 10.125 6.685
212 HE ARG 28 HE ARG 28 46.655 10.113 6.970
213 HH11 ARG 28 HH11 ARG 28 44.347 8.994 4.616
214 HH12 ARG 28 HH12 ARG 28 45.422 9.196 3.273
215 HH21 ARG 28 HH21 ARG 28 48.080 10.384 5.210
216 HH22 ARG 28 HH22 ARG 28 47.546 9.986 3.612
217 H ASP 29 H ASP 29 42.361 6.875 11.759
218 HA ASP 29 HA ASP 29 43.470 8.353 13.859
219 HB2 ASP 29 HB2 ASP 29 41.416 10.050 13.864
220 HB3 ASP 29 HB3 ASP 29 42.934 10.428 13.054
221 H TYR 30 H TYR 30 42.046 8.446 15.760
222 HA TYR 30 HA TYR 30 40.571 7.508 17.215
223 HB2 TYR 30 HB2 TYR 30 38.881 6.767 14.828
224 HB3 TYR 30 HB3 TYR 30 38.350 7.043 16.483
225 HD1 TYR 30 HD2 TYR 30 39.695 9.567 17.147
226 HD2 TYR 30 HD1 TYR 30 37.772 8.363 13.548
227 HE1 TYR 30 HE2 TYR 30 39.236 11.923 16.611
228 HE2 TYR 30 HE1 TYR 30 37.309 10.715 13.001
229 HH TYR 30 HH TYR 30 37.042 12.902 14.356
230 H ASN 31 H ASN 31 42.232 5.896 17.581
231 HA ASN 31 HA ASN 31 41.255 3.281 17.574
232 HB2 ASN 31 HB2 ASN 31 42.531 4.036 15.111
233 HB3 ASN 31 HB3 ASN 31 43.491 2.797 15.914
234 HD21 ASN 31 HD21 ASN 31 41.524 2.981 13.540
235 HD22 ASN 31 HD22 ASN 31 40.533 1.581 13.751
236 H LYS 32 H LYS 32 44.170 5.275 17.451
237 HA LYS 32 HA LYS 32 46.065 5.304 18.710
238 HB2 LYS 32 HB2 LYS 32 43.899 4.976 20.468
239 HB3 LYS 32 HB3 LYS 32 45.127 3.845 21.019
240 HG2 LYS 32 HG2 LYS 32 46.016 5.560 22.114
241 HG3 LYS 32 HG3 LYS 32 46.560 6.148 20.541
242 HD2 LYS 32 HD2 LYS 32 45.440 7.989 21.375
243 HD3 LYS 32 HD3 LYS 32 44.180 7.204 20.420
244 HE2 LYS 32 HE2 LYS 32 44.458 6.437 23.279
245 HE3 LYS 32 HE3 LYS 32 43.759 8.012 22.908
246 HZ1 LYS 32 HZ1 LYS 32 41.940 6.603 22.979
247 HZ2 LYS 32 HZ2 LYS 32 42.745 5.334 22.202
248 HZ3 LYS 32 HZ3 LYS 32 42.266 6.696 21.321
Start of MODEL 19
1 H1 ARG 1 H ARG 1 8.790 10.761 0.846
2 HA ARG 1 HA ARG 1 10.395 9.829 2.192
3 HB2 ARG 1 HB2 ARG 1 8.547 10.055 3.992
4 HB3 ARG 1 HB3 ARG 1 8.287 8.336 3.726
5 HG2 ARG 1 HG2 ARG 1 10.276 7.744 4.674
6 HG3 ARG 1 HG3 ARG 1 11.055 9.272 4.256
7 HD2 ARG 1 HD2 ARG 1 8.830 9.145 6.264
8 HD3 ARG 1 HD3 ARG 1 10.501 8.821 6.725
9 HE ARG 1 HE ARG 1 10.648 11.197 5.428
10 HH11 ARG 1 HH11 ARG 1 8.722 10.007 8.072
11 HH12 ARG 1 HH12 ARG 1 8.581 11.555 8.837
12 HH21 ARG 1 HH21 ARG 1 10.469 13.241 6.425
13 HH22 ARG 1 HH22 ARG 1 9.574 13.394 7.899
14 H ARG 2 H ARG 2 10.540 8.748 -0.011
15 HA ARG 2 HA ARG 2 9.702 5.978 -0.099
16 HB2 ARG 2 HB2 ARG 2 11.337 7.637 -2.026
17 HB3 ARG 2 HB3 ARG 2 10.829 5.979 -2.318
18 HG2 ARG 2 HG2 ARG 2 8.443 7.010 -1.823
19 HG3 ARG 2 HG3 ARG 2 9.249 8.486 -2.357
20 HD2 ARG 2 HD2 ARG 2 9.917 6.331 -4.121
21 HD3 ARG 2 HD3 ARG 2 8.166 6.428 -3.944
22 HE ARG 2 HE ARG 2 9.222 9.003 -4.386
23 HH11 ARG 2 HH11 ARG 2 8.625 5.997 -6.036
24 HH12 ARG 2 HH12 ARG 2 8.447 6.736 -7.593
25 HH21 ARG 2 HH21 ARG 2 8.989 9.989 -6.430
26 HH22 ARG 2 HH22 ARG 2 8.655 9.007 -7.816
27 H SER 3 H SER 3 10.846 4.995 1.572
28 HA SER 3 HA SER 3 13.478 4.116 0.895
29 HB2 SER 3 HB2 SER 3 14.107 6.264 1.857
30 HB3 SER 3 HB3 SER 3 13.159 5.922 3.305
31 HG SER 3 HG SER 3 15.261 5.405 3.768
32 H ARG 4 H ARG 4 10.979 4.401 3.371
33 HA ARG 4 HA ARG 4 11.789 1.928 4.646
34 HB2 ARG 4 HB2 ARG 4 9.485 3.815 5.151
35 HB3 ARG 4 HB3 ARG 4 9.776 2.355 6.087
36 HG2 ARG 4 HG2 ARG 4 12.072 4.175 5.859
37 HG3 ARG 4 HG3 ARG 4 10.688 4.802 6.757
38 HD2 ARG 4 HD2 ARG 4 10.798 3.102 8.348
39 HD3 ARG 4 HD3 ARG 4 11.765 2.061 7.305
40 HE ARG 4 HE ARG 4 12.723 4.095 9.080
41 HH11 ARG 4 HH11 ARG 4 13.392 2.344 6.146
42 HH12 ARG 4 HH12 ARG 4 15.106 2.577 6.244
43 HH21 ARG 4 HH21 ARG 4 14.978 4.408 9.220
44 HH22 ARG 4 HH22 ARG 4 16.007 3.751 7.993
45 H LYS 5 H LYS 5 11.332 1.226 2.147
46 HA LYS 5 HA LYS 5 9.359 -0.746 2.293
47 HB2 LYS 5 HB2 LYS 5 8.154 1.661 1.854
48 HB3 LYS 5 HB3 LYS 5 8.414 1.107 0.205
49 HG2 LYS 5 HG2 LYS 5 7.397 -1.108 1.549
50 HG3 LYS 5 HG3 LYS 5 6.456 0.263 2.142
51 HD2 LYS 5 HD2 LYS 5 6.938 0.145 -0.775
52 HD3 LYS 5 HD3 LYS 5 5.850 -1.072 -0.103
53 HE2 LYS 5 HE2 LYS 5 5.573 1.887 0.393
54 HE3 LYS 5 HE3 LYS 5 4.732 1.027 -0.896
55 HZ1 LYS 5 HZ1 LYS 5 3.309 0.082 0.544
56 HZ2 LYS 5 HZ2 LYS 5 3.717 1.393 1.532
57 HZ3 LYS 5 HZ3 LYS 5 4.466 -0.106 1.764
58 H ASN 6 H ASN 6 12.061 -0.497 1.498
59 HA ASN 6 HA ASN 6 12.096 -2.068 -0.812
60 HB2 ASN 6 HB2 ASN 6 11.864 0.718 -1.369
61 HB3 ASN 6 HB3 ASN 6 13.481 0.204 -1.840
62 HD21 ASN 6 HD21 ASN 6 13.316 0.154 -3.994
63 HD22 ASN 6 HD22 ASN 6 12.191 -0.818 -4.875
64 H GLY 7 H GLY 7 13.797 0.227 1.234
65 HA2 GLY 7 HA2 GLY 7 16.391 -0.915 0.627
66 HA3 GLY 7 HA3 GLY 7 16.057 0.369 1.780
67 H ILE 8 H ILE 8 15.327 -3.096 1.348
68 HA ILE 8 HA ILE 8 14.966 -3.643 4.080
69 HB ILE 8 HB ILE 8 15.898 -5.575 1.955
70 HG12 ILE 8 HG12 ILE 8 13.126 -5.838 2.526
71 HG13 ILE 8 HG13 ILE 8 13.437 -4.135 2.204
72 HG21 ILE 8 HG21 ILE 8 16.177 -6.630 4.023
73 HG22 ILE 8 HG22 ILE 8 14.709 -5.915 4.687
74 HG23 ILE 8 HG23 ILE 8 14.598 -7.181 3.465
75 HD11 ILE 8 HD11 ILE 8 14.653 -6.043 0.322
76 HD12 ILE 8 HD12 ILE 8 12.893 -5.935 0.300
77 HD13 ILE 8 HD13 ILE 8 13.868 -4.491 0.028
78 H GLY 9 H GLY 9 17.805 -4.156 1.984
79 HA2 GLY 9 HA2 GLY 9 19.466 -4.118 4.424
80 HA3 GLY 9 HA3 GLY 9 19.731 -5.314 3.164
81 H TYR 10 H TYR 10 18.795 -2.145 2.193
82 HA TYR 10 HA TYR 10 21.228 -1.795 0.730
83 HB2 TYR 10 HB2 TYR 10 18.751 -0.134 1.112
84 HB3 TYR 10 HB3 TYR 10 20.153 0.515 0.268
85 HD1 TYR 10 HD1 TYR 10 18.056 -2.585 0.247
86 HD2 TYR 10 HD2 TYR 10 20.162 0.329 -2.027
87 HE1 TYR 10 HE1 TYR 10 17.298 -3.666 -1.828
88 HE2 TYR 10 HE2 TYR 10 19.409 -0.743 -4.109
89 HH TYR 10 HH TYR 10 18.504 -3.566 -4.500
90 H ALA 11 H ALA 11 19.667 0.230 3.223
91 HA ALA 11 HA ALA 11 21.997 1.788 3.686
92 HB1 ALA 11 HB1 ALA 11 20.546 3.092 4.741
93 HB2 ALA 11 HB2 ALA 11 19.294 1.886 4.442
94 HB3 ALA 11 HB3 ALA 11 20.227 1.835 5.937
95 H ILE 12 H ILE 12 20.417 -0.775 5.593
96 HA ILE 12 HA ILE 12 22.187 -0.872 7.719
97 HB ILE 12 HB ILE 12 20.745 -3.201 6.444
98 HG12 ILE 12 HG12 ILE 12 19.595 -2.280 8.902
99 HG13 ILE 12 HG13 ILE 12 19.765 -0.913 7.807
100 HG21 ILE 12 HG21 ILE 12 20.912 -4.152 8.775
101 HG22 ILE 12 HG22 ILE 12 22.419 -4.087 7.862
102 HG23 ILE 12 HG23 ILE 12 22.094 -2.888 9.114
103 HD11 ILE 12 HD11 ILE 12 18.599 -2.300 6.071
104 HD12 ILE 12 HD12 ILE 12 18.252 -3.464 7.350
105 HD13 ILE 12 HD13 ILE 12 17.617 -1.823 7.455
106 H GLY 13 H GLY 13 22.309 -2.762 4.697
107 HA2 GLY 13 HA2 GLY 13 24.714 -4.109 5.290
108 HA3 GLY 13 HA3 GLY 13 24.035 -3.885 3.684
109 H TYR 14 H TYR 14 24.085 -0.956 3.908
110 HA TYR 14 HA TYR 14 26.538 -0.442 2.703
111 HB2 TYR 14 HB2 TYR 14 24.403 0.980 2.692
112 HB3 TYR 14 HB3 TYR 14 24.981 1.650 4.213
113 HD1 TYR 14 HD1 TYR 14 27.083 2.967 4.263
114 HD2 TYR 14 HD2 TYR 14 25.364 1.633 0.607
115 HE1 TYR 14 HE1 TYR 14 28.461 4.589 3.031
116 HE2 TYR 14 HE2 TYR 14 26.739 3.250 -0.636
117 HH TYR 14 HH TYR 14 28.570 5.715 0.961
118 H ALA 15 H ALA 15 25.518 0.301 6.034
119 HA ALA 15 HA ALA 15 28.051 1.277 6.852
120 HB1 ALA 15 HB1 ALA 15 25.600 0.385 8.332
121 HB2 ALA 15 HB2 ALA 15 27.071 0.856 9.185
122 HB3 ALA 15 HB3 ALA 15 26.249 2.014 8.139
123 H PHE 16 H PHE 16 26.481 -1.882 7.075
124 HA PHE 16 HA PHE 16 28.264 -3.194 8.737
125 HB2 PHE 16 HB2 PHE 16 26.218 -3.947 6.822
126 HB3 PHE 16 HB3 PHE 16 27.557 -5.091 6.812
127 HD1 PHE 16 HD2 PHE 16 28.412 -5.602 9.353
128 HD2 PHE 16 HD1 PHE 16 24.470 -4.511 8.175
129 HE1 PHE 16 HE2 PHE 16 27.514 -6.670 11.380
130 HE2 PHE 16 HE1 PHE 16 23.566 -5.577 10.201
131 HZ PHE 16 HZ PHE 16 25.089 -6.659 11.805
132 H GLY 17 H GLY 17 28.339 -3.102 5.169
133 HA2 GLY 17 HA2 GLY 17 30.711 -4.495 4.794
134 HA3 GLY 17 HA3 GLY 17 30.093 -3.270 3.696
135 H ALA 18 H ALA 18 30.230 -1.122 5.646
136 HA ALA 18 HA ALA 18 32.959 -0.368 5.216
137 HB1 ALA 18 HB1 ALA 18 31.585 1.459 5.053
138 HB2 ALA 18 HB2 ALA 18 30.554 0.942 6.388
139 HB3 ALA 18 HB3 ALA 18 32.146 1.626 6.717
140 H VAL 19 H VAL 19 31.007 -1.219 8.049
141 HA VAL 19 HA VAL 19 32.825 -0.674 10.064
142 HB VAL 19 HB VAL 19 30.827 -2.934 9.911
143 HG11 VAL 19 HG11 VAL 19 31.068 -2.466 12.537
144 HG12 VAL 19 HG12 VAL 19 32.020 -3.683 11.685
145 HG13 VAL 19 HG13 VAL 19 32.715 -2.098 12.026
146 HG21 VAL 19 HG21 VAL 19 30.044 -0.920 11.717
147 HG22 VAL 19 HG22 VAL 19 30.558 -0.104 10.241
148 HG23 VAL 19 HG23 VAL 19 29.302 -1.340 10.173
149 H GLU 20 H GLU 20 32.751 -3.326 7.796
150 HA GLU 20 HA GLU 20 34.652 -4.947 9.197
151 HB2 GLU 20 HB2 GLU 20 34.141 -5.177 6.253
152 HB3 GLU 20 HB3 GLU 20 34.484 -6.446 7.421
153 HG2 GLU 20 HG2 GLU 20 32.157 -5.557 8.403
154 HG3 GLU 20 HG3 GLU 20 31.927 -5.170 6.699
155 H ARG 21 H ARG 21 34.796 -2.744 6.422
156 HA ARG 21 HA ARG 21 37.477 -3.125 5.747
157 HB2 ARG 21 HB2 ARG 21 35.438 -1.041 5.270
158 HB3 ARG 21 HB3 ARG 21 37.108 -0.514 5.116
159 HG2 ARG 21 HG2 ARG 21 36.889 -2.968 3.744
160 HG3 ARG 21 HG3 ARG 21 35.511 -1.973 3.268
161 HD2 ARG 21 HD2 ARG 21 37.308 -0.101 3.022
162 HD3 ARG 21 HD3 ARG 21 38.435 -1.454 2.935
163 HE ARG 21 HE ARG 21 36.236 -1.782 1.151
164 HH11 ARG 21 HH11 ARG 21 39.289 -0.161 1.566
165 HH12 ARG 21 HH12 ARG 21 39.591 -0.014 -0.133
166 HH21 ARG 21 HH21 ARG 21 36.622 -1.593 -1.090
167 HH22 ARG 21 HH22 ARG 21 38.072 -0.828 -1.643
168 H ALA 22 H ALA 22 35.996 -1.173 8.249
169 HA ALA 22 HA ALA 22 38.124 0.496 8.911
170 HB1 ALA 22 HB1 ALA 22 36.318 -0.668 11.000
171 HB2 ALA 22 HB2 ALA 22 37.002 0.955 10.899
172 HB3 ALA 22 HB3 ALA 22 35.710 0.473 9.800
173 H VAL 23 H VAL 23 37.357 -2.761 10.106
174 HA VAL 23 HA VAL 23 39.735 -2.865 11.736
175 HB VAL 23 HB VAL 23 38.071 -5.261 11.029
176 HG11 VAL 23 HG11 VAL 23 40.269 -4.922 12.631
177 HG12 VAL 23 HG12 VAL 23 38.936 -4.832 13.784
178 HG13 VAL 23 HG13 VAL 23 39.112 -6.248 12.746
179 HG21 VAL 23 HG21 VAL 23 36.696 -4.632 13.078
180 HG22 VAL 23 HG22 VAL 23 37.348 -3.006 12.880
181 HG23 VAL 23 HG23 VAL 23 36.379 -3.730 11.597
182 H LEU 24 H LEU 24 38.669 -4.128 8.628
183 HA LEU 24 HA LEU 24 40.649 -5.982 8.103
184 HB2 LEU 24 HB2 LEU 24 38.575 -4.913 6.705
185 HB3 LEU 24 HB3 LEU 24 39.957 -4.256 5.831
186 HG LEU 24 HG LEU 24 40.631 -6.891 6.012
187 HD11 LEU 24 HD11 LEU 24 37.684 -6.656 6.189
188 HD12 LEU 24 HD12 LEU 24 38.762 -7.918 6.785
189 HD13 LEU 24 HD13 LEU 24 38.337 -7.858 5.075
190 HD21 LEU 24 HD21 LEU 24 39.385 -6.865 3.638
191 HD22 LEU 24 HD22 LEU 24 40.927 -6.060 3.931
192 HD23 LEU 24 HD23 LEU 24 39.426 -5.133 3.968
193 H GLY 25 H GLY 25 40.794 -2.481 7.970
194 HA2 GLY 25 HA2 GLY 25 43.560 -2.628 6.977
195 HA3 GLY 25 HA3 GLY 25 42.548 -1.191 6.966
196 H GLY 26 H GLY 26 41.624 -1.503 9.694
197 HA2 GLY 26 HA2 GLY 26 42.578 -1.540 11.908
198 HA3 GLY 26 HA3 GLY 26 44.133 -1.134 11.196
199 H SER 27 H SER 27 42.689 0.875 9.439
200 HA SER 27 HA SER 27 43.241 3.163 10.922
201 HB2 SER 27 HB2 SER 27 41.159 3.277 8.779
202 HB3 SER 27 HB3 SER 27 42.509 4.368 9.089
203 HG SER 27 HG SER 27 43.310 3.281 7.448
204 H ARG 28 H ARG 28 41.675 4.893 11.520
205 HA ARG 28 HA ARG 28 38.980 4.162 12.154
206 HB2 ARG 28 HB2 ARG 28 39.338 4.570 14.653
207 HB3 ARG 28 HB3 ARG 28 39.850 3.015 14.011
208 HG2 ARG 28 HG2 ARG 28 42.011 3.391 14.475
209 HG3 ARG 28 HG3 ARG 28 41.923 5.089 14.004
210 HD2 ARG 28 HD2 ARG 28 40.368 4.665 16.370
211 HD3 ARG 28 HD3 ARG 28 41.987 4.006 16.604
212 HE ARG 28 HE ARG 28 42.026 6.627 15.463
213 HH11 ARG 28 HH11 ARG 28 41.732 4.852 18.444
214 HH12 ARG 28 HH12 ARG 28 42.321 6.151 19.427
215 HH21 ARG 28 HH21 ARG 28 42.803 8.344 16.747
216 HH22 ARG 28 HH22 ARG 28 42.930 8.137 18.461
217 H ASP 29 H ASP 29 38.517 6.046 10.997
218 HA ASP 29 HA ASP 29 39.645 8.565 11.428
219 HB2 ASP 29 HB2 ASP 29 37.287 7.489 10.063
220 HB3 ASP 29 HB3 ASP 29 37.055 9.126 10.671
221 H TYR 30 H TYR 30 36.285 7.849 12.320
222 HA TYR 30 HA TYR 30 36.432 8.263 15.049
223 HB2 TYR 30 HB2 TYR 30 36.947 10.664 13.675
224 HB3 TYR 30 HB3 TYR 30 35.304 10.806 14.290
225 HD1 TYR 30 HD2 TYR 30 38.174 9.017 15.833
226 HD2 TYR 30 HD1 TYR 30 35.536 12.349 16.038
227 HE1 TYR 30 HE2 TYR 30 39.061 9.575 18.059
228 HE2 TYR 30 HE1 TYR 30 36.416 12.917 18.263
229 HH TYR 30 HH TYR 30 38.398 10.791 20.053
230 H ASN 31 H ASN 31 34.538 9.194 12.196
231 HA ASN 31 HA ASN 31 32.382 7.506 12.798
232 HB2 ASN 31 HB2 ASN 31 30.760 8.867 13.756
233 HB3 ASN 31 HB3 ASN 31 32.217 9.402 14.590
234 HD21 ASN 31 HD21 ASN 31 33.113 11.403 14.080
235 HD22 ASN 31 HD22 ASN 31 32.216 12.616 13.238
236 H LYS 32 H LYS 32 33.501 10.451 11.250
237 HA LYS 32 HA LYS 32 31.560 10.189 9.098
238 HB2 LYS 32 HB2 LYS 32 33.705 12.217 9.712
239 HB3 LYS 32 HB3 LYS 32 32.793 12.236 8.209
240 HG2 LYS 32 HG2 LYS 32 30.716 12.492 9.470
241 HG3 LYS 32 HG3 LYS 32 31.633 12.474 10.979
242 HD2 LYS 32 HD2 LYS 32 32.228 14.621 10.759
243 HD3 LYS 32 HD3 LYS 32 32.641 14.419 9.055
244 HE2 LYS 32 HE2 LYS 32 30.455 14.843 8.354
245 HE3 LYS 32 HE3 LYS 32 29.783 14.528 9.953
246 HZ1 LYS 32 HZ1 LYS 32 31.284 16.575 10.563
247 HZ2 LYS 32 HZ2 LYS 32 29.729 16.786 9.933
248 HZ3 LYS 32 HZ3 LYS 32 31.078 16.941 8.924
Start of MODEL 20
1 H1 ARG 1 H ARG 1 3.717 -4.202 -5.587
2 HA ARG 1 HA ARG 1 2.642 -3.657 -3.032
3 HB2 ARG 1 HB2 ARG 1 4.182 -6.251 -3.231
4 HB3 ARG 1 HB3 ARG 1 3.557 -5.518 -1.760
5 HG2 ARG 1 HG2 ARG 1 1.420 -5.841 -3.624
6 HG3 ARG 1 HG3 ARG 1 2.289 -7.367 -3.456
7 HD2 ARG 1 HD2 ARG 1 2.100 -7.112 -0.979
8 HD3 ARG 1 HD3 ARG 1 1.071 -5.707 -1.256
9 HE ARG 1 HE ARG 1 -0.655 -7.131 -1.682
10 HH11 ARG 1 HH11 ARG 1 2.338 -8.858 -2.111
11 HH12 ARG 1 HH12 ARG 1 1.568 -10.386 -2.381
12 HH21 ARG 1 HH21 ARG 1 -1.679 -9.138 -2.037
13 HH22 ARG 1 HH22 ARG 1 -0.717 -10.544 -2.340
14 H ARG 2 H ARG 2 3.925 -2.065 -2.399
15 HA ARG 2 HA ARG 2 6.637 -1.858 -3.361
16 HB2 ARG 2 HB2 ARG 2 6.650 0.287 -2.107
17 HB3 ARG 2 HB3 ARG 2 5.319 0.159 -3.250
18 HG2 ARG 2 HG2 ARG 2 4.317 -0.842 -0.847
19 HG3 ARG 2 HG3 ARG 2 5.260 0.583 -0.407
20 HD2 ARG 2 HD2 ARG 2 3.079 0.470 -2.488
21 HD3 ARG 2 HD3 ARG 2 2.934 1.164 -0.874
22 HE ARG 2 HE ARG 2 5.068 2.351 -2.333
23 HH11 ARG 2 HH11 ARG 2 1.605 2.340 -1.977
24 HH12 ARG 2 HH12 ARG 2 1.412 3.968 -2.538
25 HH21 ARG 2 HH21 ARG 2 4.827 4.495 -3.073
26 HH22 ARG 2 HH22 ARG 2 3.245 5.193 -3.161
27 H SER 3 H SER 3 8.475 -2.254 -2.265
28 HA SER 3 HA SER 3 8.678 -2.340 0.560
29 HB2 SER 3 HB2 SER 3 7.955 -4.829 -0.823
30 HB3 SER 3 HB3 SER 3 9.373 -4.975 0.216
31 HG SER 3 HG SER 3 6.744 -4.210 0.909
32 H ARG 4 H ARG 4 10.170 -4.446 -1.886
33 HA ARG 4 HA ARG 4 12.797 -3.523 -1.088
34 HB2 ARG 4 HB2 ARG 4 11.815 -5.651 -2.979
35 HB3 ARG 4 HB3 ARG 4 13.514 -5.204 -2.894
36 HG2 ARG 4 HG2 ARG 4 12.223 -5.810 -0.318
37 HG3 ARG 4 HG3 ARG 4 12.401 -7.165 -1.435
38 HD2 ARG 4 HD2 ARG 4 14.774 -6.791 -1.587
39 HD3 ARG 4 HD3 ARG 4 14.642 -5.322 -0.621
40 HE ARG 4 HE ARG 4 13.623 -7.325 0.956
41 HH11 ARG 4 HH11 ARG 4 16.647 -6.685 -0.645
42 HH12 ARG 4 HH12 ARG 4 17.598 -7.536 0.528
43 HH21 ARG 4 HH21 ARG 4 14.863 -8.447 2.507
44 HH22 ARG 4 HH22 ARG 4 16.582 -8.538 2.320
45 H LYS 5 H LYS 5 11.690 -1.345 -2.026
46 HA LYS 5 HA LYS 5 13.296 -0.637 -4.255
47 HB2 LYS 5 HB2 LYS 5 10.644 -1.618 -4.822
48 HB3 LYS 5 HB3 LYS 5 10.775 0.072 -5.289
49 HG2 LYS 5 HG2 LYS 5 13.048 -1.574 -6.114
50 HG3 LYS 5 HG3 LYS 5 11.506 -2.045 -6.832
51 HD2 LYS 5 HD2 LYS 5 11.390 -0.188 -8.096
52 HD3 LYS 5 HD3 LYS 5 12.006 0.846 -6.805
53 HE2 LYS 5 HE2 LYS 5 14.261 0.229 -7.292
54 HE3 LYS 5 HE3 LYS 5 13.734 -1.028 -8.410
55 HZ1 LYS 5 HZ1 LYS 5 13.729 0.446 -10.041
56 HZ2 LYS 5 HZ2 LYS 5 14.303 1.634 -8.983
57 HZ3 LYS 5 HZ3 LYS 5 12.639 1.436 -9.208
58 H ASN 6 H ASN 6 10.426 0.159 -2.341
59 HA ASN 6 HA ASN 6 10.444 2.928 -2.715
60 HB2 ASN 6 HB2 ASN 6 9.037 1.057 -1.104
61 HB3 ASN 6 HB3 ASN 6 9.619 2.335 -0.040
62 HD21 ASN 6 HD21 ASN 6 8.351 4.024 0.160
63 HD22 ASN 6 HD22 ASN 6 7.159 4.545 -0.977
64 H GLY 7 H GLY 7 12.422 0.879 -0.717
65 HA2 GLY 7 HA2 GLY 7 14.571 1.593 0.031
66 HA3 GLY 7 HA3 GLY 7 13.974 3.246 0.070
67 H ILE 8 H ILE 8 13.206 0.101 1.571
68 HA ILE 8 HA ILE 8 12.031 1.172 3.882
69 HB ILE 8 HB ILE 8 13.457 -1.479 3.632
70 HG12 ILE 8 HG12 ILE 8 11.736 -1.182 1.893
71 HG13 ILE 8 HG13 ILE 8 11.266 -2.409 3.064
72 HG21 ILE 8 HG21 ILE 8 11.587 -2.025 5.376
73 HG22 ILE 8 HG22 ILE 8 13.088 -1.257 5.889
74 HG23 ILE 8 HG23 ILE 8 11.633 -0.286 5.667
75 HD11 ILE 8 HD11 ILE 8 9.788 -0.202 2.222
76 HD12 ILE 8 HD12 ILE 8 9.402 -1.318 3.532
77 HD13 ILE 8 HD13 ILE 8 10.292 0.166 3.872
78 H GLY 9 H GLY 9 15.337 -0.054 3.353
79 HA2 GLY 9 HA2 GLY 9 16.252 1.734 5.494
80 HA3 GLY 9 HA3 GLY 9 16.644 0.025 5.605
81 H TYR 10 H TYR 10 16.514 1.609 2.514
82 HA TYR 10 HA TYR 10 19.224 0.891 1.954
83 HB2 TYR 10 HB2 TYR 10 17.074 2.339 0.434
84 HB3 TYR 10 HB3 TYR 10 18.722 2.280 -0.181
85 HD1 TYR 10 HD1 TYR 10 16.144 -0.057 1.195
86 HD2 TYR 10 HD2 TYR 10 19.235 0.587 -1.657
87 HE1 TYR 10 HE1 TYR 10 15.690 -2.266 0.214
88 HE2 TYR 10 HE2 TYR 10 18.789 -1.621 -2.647
89 HH TYR 10 HH TYR 10 17.780 -3.682 -2.169
90 H ALA 11 H ALA 11 17.585 4.063 1.926
91 HA ALA 11 HA ALA 11 19.930 5.595 1.797
92 HB1 ALA 11 HB1 ALA 11 17.369 6.516 3.075
93 HB2 ALA 11 HB2 ALA 11 18.574 7.480 2.222
94 HB3 ALA 11 HB3 ALA 11 17.558 6.347 1.330
95 H ILE 12 H ILE 12 17.926 4.693 4.596
96 HA ILE 12 HA ILE 12 19.434 6.025 6.546
97 HB ILE 12 HB ILE 12 17.929 3.448 6.984
98 HG12 ILE 12 HG12 ILE 12 16.306 5.632 7.687
99 HG13 ILE 12 HG13 ILE 12 16.959 6.022 6.100
100 HG21 ILE 12 HG21 ILE 12 18.578 5.769 8.796
101 HG22 ILE 12 HG22 ILE 12 17.557 4.400 9.230
102 HG23 ILE 12 HG23 ILE 12 19.265 4.147 8.874
103 HD11 ILE 12 HD11 ILE 12 16.078 3.989 5.183
104 HD12 ILE 12 HD12 ILE 12 15.549 3.455 6.779
105 HD13 ILE 12 HD13 ILE 12 14.790 4.854 6.020
106 H GLY 13 H GLY 13 19.596 2.647 5.431
107 HA2 GLY 13 HA2 GLY 13 21.711 1.881 7.145
108 HA3 GLY 13 HA3 GLY 13 21.227 1.048 5.675
109 H TYR 14 H TYR 14 21.665 3.469 4.035
110 HA TYR 14 HA TYR 14 24.262 2.958 3.173
111 HB2 TYR 14 HB2 TYR 14 22.355 4.166 1.948
112 HB3 TYR 14 HB3 TYR 14 22.899 5.617 2.784
113 HD1 TYR 14 HD2 TYR 14 25.165 6.525 2.328
114 HD2 TYR 14 HD1 TYR 14 23.558 3.285 0.087
115 HE1 TYR 14 HE2 TYR 14 26.857 6.901 0.583
116 HE2 TYR 14 HE1 TYR 14 25.246 3.651 -1.664
117 HH TYR 14 HH TYR 14 27.969 5.295 -1.277
118 H ALA 15 H ALA 15 23.067 5.702 5.106
119 HA ALA 15 HA ALA 15 25.642 6.824 5.532
120 HB1 ALA 15 HB1 ALA 15 23.862 8.323 5.740
121 HB2 ALA 15 HB2 ALA 15 22.963 7.249 6.813
122 HB3 ALA 15 HB3 ALA 15 24.409 8.071 7.397
123 H PHE 16 H PHE 16 23.575 4.671 7.432
124 HA PHE 16 HA PHE 16 25.049 4.628 9.794
125 HB2 PHE 16 HB2 PHE 16 22.987 2.975 8.544
126 HB3 PHE 16 HB3 PHE 16 24.076 2.051 9.573
127 HD1 PHE 16 HD2 PHE 16 24.657 3.577 11.829
128 HD2 PHE 16 HD1 PHE 16 21.036 3.526 9.593
129 HE1 PHE 16 HE2 PHE 16 23.423 4.337 13.817
130 HE2 PHE 16 HE1 PHE 16 19.796 4.287 11.578
131 HZ PHE 16 HZ PHE 16 20.990 4.693 13.694
132 H GLY 17 H GLY 17 25.289 2.475 6.967
133 HA2 GLY 17 HA2 GLY 17 27.311 0.807 7.881
134 HA3 GLY 17 HA3 GLY 17 27.032 1.199 6.191
135 H ALA 18 H ALA 18 27.546 4.032 6.502
136 HA ALA 18 HA ALA 18 30.394 3.963 6.209
137 HB1 ALA 18 HB1 ALA 18 28.561 6.356 6.279
138 HB2 ALA 18 HB2 ALA 18 30.215 6.311 5.668
139 HB3 ALA 18 HB3 ALA 18 28.944 5.413 4.838
140 H VAL 19 H VAL 19 28.148 5.311 8.597
141 HA VAL 19 HA VAL 19 29.928 6.702 10.196
142 HB VAL 19 HB VAL 19 27.488 5.136 11.042
143 HG11 VAL 19 HG11 VAL 19 27.600 6.940 12.934
144 HG12 VAL 19 HG12 VAL 19 28.541 5.452 13.063
145 HG13 VAL 19 HG13 VAL 19 29.320 6.948 12.545
146 HG21 VAL 19 HG21 VAL 19 27.129 7.948 11.130
147 HG22 VAL 19 HG22 VAL 19 27.812 7.538 9.557
148 HG23 VAL 19 HG23 VAL 19 26.319 6.771 10.097
149 H GLU 20 H GLU 20 29.413 3.266 9.920
150 HA GLU 20 HA GLU 20 30.802 2.572 12.327
151 HB2 GLU 20 HB2 GLU 20 30.458 0.689 10.021
152 HB3 GLU 20 HB3 GLU 20 30.426 0.347 11.745
153 HG2 GLU 20 HG2 GLU 20 28.296 1.990 11.529
154 HG3 GLU 20 HG3 GLU 20 28.274 1.213 9.947
155 H ARG 21 H ARG 21 31.628 2.629 8.880
156 HA ARG 21 HA ARG 21 34.192 1.545 9.060
157 HB2 ARG 21 HB2 ARG 21 32.729 3.227 7.113
158 HB3 ARG 21 HB3 ARG 21 34.484 3.264 6.998
159 HG2 ARG 21 HG2 ARG 21 34.625 1.012 6.463
160 HG3 ARG 21 HG3 ARG 21 33.022 0.658 7.113
161 HD2 ARG 21 HD2 ARG 21 32.028 1.118 5.168
162 HD3 ARG 21 HD3 ARG 21 32.940 2.614 4.970
163 HE ARG 21 HE ARG 21 34.691 0.548 4.413
164 HH11 ARG 21 HH11 ARG 21 31.693 1.781 3.142
165 HH12 ARG 21 HH12 ARG 21 32.018 1.266 1.521
166 HH21 ARG 21 HH21 ARG 21 35.130 -0.135 2.282
167 HH22 ARG 21 HH22 ARG 21 33.972 0.175 1.032
168 H ALA 22 H ALA 22 33.021 4.774 9.713
169 HA ALA 22 HA ALA 22 35.472 6.144 9.712
170 HB1 ALA 22 HB1 ALA 22 34.131 7.866 10.106
171 HB2 ALA 22 HB2 ALA 22 32.783 6.744 10.298
172 HB3 ALA 22 HB3 ALA 22 33.733 7.230 11.702
173 H VAL 23 H VAL 23 33.733 4.479 12.321
174 HA VAL 23 HA VAL 23 35.799 5.051 14.251
175 HB VAL 23 HB VAL 23 33.651 2.992 14.643
176 HG11 VAL 23 HG11 VAL 23 34.307 4.900 16.763
177 HG12 VAL 23 HG12 VAL 23 34.165 3.142 16.820
178 HG13 VAL 23 HG13 VAL 23 35.660 3.889 16.256
179 HG21 VAL 23 HG21 VAL 23 32.317 4.991 15.585
180 HG22 VAL 23 HG22 VAL 23 33.348 5.971 14.543
181 HG23 VAL 23 HG23 VAL 23 32.319 4.723 13.842
182 H LEU 24 H LEU 24 34.939 2.438 12.108
183 HA LEU 24 HA LEU 24 36.336 0.332 13.284
184 HB2 LEU 24 HB2 LEU 24 34.837 0.641 11.044
185 HB3 LEU 24 HB3 LEU 24 36.447 0.466 10.349
186 HG LEU 24 HG LEU 24 36.424 -1.630 12.054
187 HD11 LEU 24 HD11 LEU 24 34.036 -2.604 11.334
188 HD12 LEU 24 HD12 LEU 24 33.614 -0.901 11.514
189 HD13 LEU 24 HD13 LEU 24 34.322 -1.781 12.868
190 HD21 LEU 24 HD21 LEU 24 35.125 -2.046 9.415
191 HD22 LEU 24 HD22 LEU 24 36.464 -2.912 10.168
192 HD23 LEU 24 HD23 LEU 24 36.735 -1.326 9.445
193 H GLY 25 H GLY 25 37.463 3.046 11.396
194 HA2 GLY 25 HA2 GLY 25 40.214 2.287 12.033
195 HA3 GLY 25 HA3 GLY 25 39.814 2.500 10.335
196 H GLY 26 H GLY 26 39.672 4.179 13.467
197 HA2 GLY 26 HA2 GLY 26 40.898 6.518 12.402
198 HA3 GLY 26 HA3 GLY 26 39.164 6.748 12.575
199 H SER 27 H SER 27 38.731 5.270 14.913
200 HA SER 27 HA SER 27 39.375 7.187 16.875
201 HB2 SER 27 HB2 SER 27 37.527 5.230 16.723
202 HB3 SER 27 HB3 SER 27 38.698 4.445 17.783
203 HG SER 27 HG SER 27 38.047 5.693 19.331
204 H ARG 28 H ARG 28 41.065 4.430 15.698
205 HA ARG 28 HA ARG 28 43.329 5.039 17.374
206 HB2 ARG 28 HB2 ARG 28 43.508 2.613 18.137
207 HB3 ARG 28 HB3 ARG 28 42.305 3.610 18.944
208 HG2 ARG 28 HG2 ARG 28 40.583 2.395 18.165
209 HG3 ARG 28 HG3 ARG 28 41.339 2.137 16.592
210 HD2 ARG 28 HD2 ARG 28 41.373 0.008 17.467
211 HD3 ARG 28 HD3 ARG 28 42.962 0.606 17.943
212 HE ARG 28 HE ARG 28 40.944 1.066 19.926
213 HH11 ARG 28 HH11 ARG 28 43.207 -1.255 18.657
214 HH12 ARG 28 HH12 ARG 28 43.333 -2.139 20.142
215 HH21 ARG 28 HH21 ARG 28 41.102 -0.089 21.887
216 HH22 ARG 28 HH22 ARG 28 42.134 -1.475 21.978
217 H ASP 29 H ASP 29 44.861 5.145 15.873
218 HA ASP 29 HA ASP 29 45.815 2.920 14.488
219 HB2 ASP 29 HB2 ASP 29 43.587 4.172 13.197
220 HB3 ASP 29 HB3 ASP 29 45.030 4.439 12.222
221 H TYR 30 H TYR 30 47.539 3.488 12.919
222 HA TYR 30 HA TYR 30 48.450 6.206 12.794
223 HB2 TYR 30 HB2 TYR 30 49.145 4.919 15.103
224 HB3 TYR 30 HB3 TYR 30 50.526 4.558 14.073
225 HD1 TYR 30 HD2 TYR 30 48.373 7.579 14.574
226 HD2 TYR 30 HD1 TYR 30 52.302 5.947 14.538
227 HE1 TYR 30 HE2 TYR 30 49.297 9.809 15.042
228 HE2 TYR 30 HE1 TYR 30 53.237 8.172 15.007
229 HH TYR 30 HH TYR 30 52.665 10.279 15.804
230 H ASN 31 H ASN 31 51.124 5.789 12.257
231 HA ASN 31 HA ASN 31 51.130 5.027 9.596
232 HB2 ASN 31 HB2 ASN 31 53.100 5.789 11.576
233 HB3 ASN 31 HB3 ASN 31 53.736 4.540 10.509
234 HD21 ASN 31 HD21 ASN 31 53.008 7.819 10.868
235 HD22 ASN 31 HD22 ASN 31 53.348 8.323 9.251
236 H LYS 32 H LYS 32 52.302 3.148 12.388
237 HA LYS 32 HA LYS 32 52.561 0.912 12.718
238 HB2 LYS 32 HB2 LYS 32 50.116 1.164 11.586
239 HB3 LYS 32 HB3 LYS 32 50.899 0.129 10.399
240 HG2 LYS 32 HG2 LYS 32 51.439 -1.481 12.153
241 HG3 LYS 32 HG3 LYS 32 50.659 -0.441 13.347
242 HD2 LYS 32 HD2 LYS 32 48.628 -1.194 12.804
243 HD3 LYS 32 HD3 LYS 32 48.933 -0.982 11.078
244 HE2 LYS 32 HE2 LYS 32 50.060 -3.114 10.975
245 HE3 LYS 32 HE3 LYS 32 49.925 -3.309 12.722
246 HZ1 LYS 32 HZ1 LYS 32 47.717 -3.306 10.741
247 HZ2 LYS 32 HZ2 LYS 32 47.471 -3.260 12.414
248 HZ3 LYS 32 HZ3 LYS 32 48.228 -4.598 11.707