Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
463106 | 2keg RC | 16148 | 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 1.884 0.000 0.829
2 HA ARG 1 HA ARG 1 1.579 0.746 -1.868
3 HB2 ARG 1 HB2 ARG 1 3.757 0.350 0.056
4 HB3 ARG 1 HB3 ARG 1 4.189 -0.332 -1.499
5 HG2 ARG 1 HG2 ARG 1 4.811 1.815 -2.004
6 HG3 ARG 1 HG3 ARG 1 3.103 2.041 -2.328
7 HD2 ARG 1 HD2 ARG 1 2.715 2.947 -0.094
8 HD3 ARG 1 HD3 ARG 1 4.324 2.495 0.434
9 HE ARG 1 HE ARG 1 4.883 4.127 -1.697
10 HH11 ARG 1 HH22 ARG 1 2.753 4.552 1.102
11 HH12 ARG 1 HH21 ARG 1 2.928 6.275 1.130
12 HH21 ARG 1 HH11 ARG 1 4.322 7.340 -0.503
13 H ARG 2 H ARG 2 0.504 -1.969 -0.634
14 HA ARG 2 HA ARG 2 1.264 -3.489 -2.951
15 HB2 ARG 2 HB2 ARG 2 2.046 -4.167 -0.152
16 HB3 ARG 2 HB3 ARG 2 1.307 -5.492 -1.029
17 HG2 ARG 2 HG2 ARG 2 3.127 -4.281 -2.860
18 HG3 ARG 2 HG3 ARG 2 3.979 -4.360 -1.331
19 HD2 ARG 2 HD2 ARG 2 2.443 -6.803 -2.225
20 HD3 ARG 2 HD3 ARG 2 3.958 -6.443 -3.029
21 HE ARG 2 HE ARG 2 3.612 -7.272 -0.224
22 HH11 ARG 2 HH22 ARG 2 5.812 -5.852 -2.611
23 HH12 ARG 2 HH21 ARG 2 7.239 -6.235 -1.707
24 HH21 ARG 2 HH11 ARG 2 7.029 -7.367 0.395
25 H SER 3 H SER 3 -1.142 -2.036 -1.768
26 HA SER 3 HA SER 3 -3.304 -2.348 -1.929
27 HB2 SER 3 HB2 SER 3 -2.644 -4.343 -3.495
28 HB3 SER 3 HB3 SER 3 -3.010 -5.363 -2.118
29 HG SER 3 HG SER 3 -5.054 -5.218 -2.715
30 H ARG 4 H ARG 4 -1.280 -3.122 0.452
31 HA ARG 4 HA ARG 4 -2.993 -4.667 2.106
32 HB2 ARG 4 HB2 ARG 4 -0.239 -3.589 2.205
33 HB3 ARG 4 HB3 ARG 4 -1.039 -3.500 3.761
34 HG2 ARG 4 HG2 ARG 4 -1.454 -6.079 2.337
35 HG3 ARG 4 HG3 ARG 4 0.218 -5.755 2.748
36 HD2 ARG 4 HD2 ARG 4 -1.263 -5.023 5.063
37 HD3 ARG 4 HD3 ARG 4 -1.996 -6.514 4.507
38 HE ARG 4 HE ARG 4 0.511 -6.324 5.815
39 HH11 ARG 4 HH22 ARG 4 -0.829 -7.881 2.929
40 HH12 ARG 4 HH21 ARG 4 0.305 -9.190 2.957
41 HH21 ARG 4 HH11 ARG 4 1.963 -9.270 4.686
42 H LYS 5 H LYS 5 -2.783 -1.372 1.177
43 HA LYS 5 HA LYS 5 -3.754 -0.351 3.712
44 HB2 LYS 5 HB2 LYS 5 -2.962 0.945 1.096
45 HB3 LYS 5 HB3 LYS 5 -3.716 1.839 2.401
46 HG2 LYS 5 HG2 LYS 5 -1.747 0.507 3.790
47 HG3 LYS 5 HG3 LYS 5 -0.965 0.689 2.232
48 HD2 LYS 5 HD2 LYS 5 -2.215 3.200 2.787
49 HD3 LYS 5 HD3 LYS 5 -1.444 2.702 4.280
50 HE2 LYS 5 HE2 LYS 5 0.464 2.087 2.293
51 HE3 LYS 5 HE3 LYS 5 -0.217 3.613 1.765
52 HZ1 LYS 5 HZ1 LYS 5 1.710 3.485 3.575
53 HZ2 LYS 5 HZ2 LYS 5 0.610 4.686 3.597
54 H ASN 6 H ASN 6 -4.917 -1.562 0.638
55 HA ASN 6 HA ASN 6 -7.541 -0.475 1.292
56 HB2 ASN 6 HB2 ASN 6 -6.056 -0.732 -1.213
57 HB3 ASN 6 HB3 ASN 6 -7.554 -1.633 -1.333
58 HD21 ASN 6 HD21 ASN 6 -6.805 1.273 0.558
59 HD22 ASN 6 HD22 ASN 6 -7.947 2.335 -0.195
60 H GLY 7 H GLY 7 -8.087 -2.227 2.778
61 HA2 GLY 7 HA2 GLY 7 -9.263 -4.498 1.643
62 HA3 GLY 7 HA3 GLY 7 -7.674 -4.955 2.223
63 H ILE 8 H ILE 8 -7.526 -3.049 4.451
64 HA ILE 8 HA ILE 8 -9.594 -4.232 6.172
65 HB ILE 8 HB ILE 8 -7.011 -4.797 6.352
66 HG12 ILE 8 HG12 ILE 8 -7.489 -4.954 8.939
67 HG13 ILE 8 HG13 ILE 8 -9.108 -4.470 8.475
68 HG21 ILE 8 HG21 ILE 8 -7.275 -2.307 8.060
69 HG22 ILE 8 HG22 ILE 8 -5.893 -3.429 8.037
70 HG23 ILE 8 HG23 ILE 8 -6.287 -2.471 6.589
71 HD11 ILE 8 HD11 ILE 8 -7.618 -6.802 7.190
72 HD12 ILE 8 HD12 ILE 8 -8.765 -6.975 8.539
73 HD13 ILE 8 HD13 ILE 8 -9.330 -6.371 6.963
74 H GLY 9 H GLY 9 -7.740 -1.335 5.205
75 HA2 GLY 9 HA2 GLY 9 -8.777 0.401 7.186
76 HA3 GLY 9 HA3 GLY 9 -8.025 0.850 5.668
77 H TYR 10 H TYR 10 -9.986 -0.815 4.056
78 HA TYR 10 HA TYR 10 -11.913 1.231 3.688
79 HB2 TYR 10 HB2 TYR 10 -12.315 -0.076 1.759
80 HB3 TYR 10 HB3 TYR 10 -10.763 -0.760 2.203
81 HD1 TYR 10 HD1 TYR 10 -14.423 -1.251 2.869
82 HD2 TYR 10 HD2 TYR 10 -10.575 -3.070 2.435
83 HE1 TYR 10 HE1 TYR 10 -15.484 -3.554 3.051
84 HE2 TYR 10 HE2 TYR 10 -11.649 -5.367 2.619
85 HH TYR 10 HH TYR 10 -13.468 -6.471 3.055
86 H ALA 11 H ALA 11 -11.855 -1.929 5.373
87 HA ALA 11 HA ALA 11 -14.609 -2.244 5.655
88 HB1 ALA 11 HB1 ALA 11 -12.595 -3.841 6.125
89 HB2 ALA 11 HB2 ALA 11 -12.596 -3.098 7.743
90 HB3 ALA 11 HB3 ALA 11 -14.041 -3.956 7.157
91 H ILE 12 H ILE 12 -12.168 -0.823 7.949
92 HA ILE 12 HA ILE 12 -14.149 0.051 9.754
93 HB ILE 12 HB ILE 12 -12.004 -0.355 10.595
94 HG12 ILE 12 HG12 ILE 12 -11.395 1.731 11.676
95 HG13 ILE 12 HG13 ILE 12 -12.244 2.663 10.459
96 HG21 ILE 12 HG21 ILE 12 -11.048 1.298 8.282
97 HG22 ILE 12 HG22 ILE 12 -10.049 1.159 9.748
98 HG23 ILE 12 HG23 ILE 12 -10.508 -0.302 8.842
99 HD11 ILE 12 HD11 ILE 12 -13.419 2.076 12.770
100 HD12 ILE 12 HD12 ILE 12 -14.359 2.064 11.258
101 HD13 ILE 12 HD13 ILE 12 -13.774 0.534 11.955
102 H GLY 13 H GLY 13 -12.581 1.457 6.871
103 HA2 GLY 13 HA2 GLY 13 -13.448 4.122 7.296
104 HA3 GLY 13 HA3 GLY 13 -12.900 3.408 5.792
105 H TYR 14 H TYR 14 -14.971 1.177 5.992
106 HA TYR 14 HA TYR 14 -17.027 2.557 4.587
107 HB2 TYR 14 HB2 TYR 14 -16.497 0.298 3.921
108 HB3 TYR 14 HB3 TYR 14 -16.331 -0.242 5.580
109 HD1 TYR 14 HD1 TYR 14 -18.715 0.469 2.865
110 HD2 TYR 14 HD2 TYR 14 -18.272 -0.943 6.879
111 HE1 TYR 14 HE1 TYR 14 -21.079 -0.464 2.806
112 HE2 TYR 14 HE2 TYR 14 -20.638 -1.871 6.806
113 HH TYR 14 HH TYR 14 -22.568 -1.654 3.836
114 H ALA 15 H ALA 15 -16.793 0.871 7.787
115 HA ALA 15 HA ALA 15 -19.500 1.387 8.443
116 HB1 ALA 15 HB1 ALA 15 -17.747 1.000 10.730
117 HB2 ALA 15 HB2 ALA 15 -19.000 -0.080 10.073
118 HB3 ALA 15 HB3 ALA 15 -17.343 -0.143 9.428
119 H PHE 16 H PHE 16 -16.336 2.882 9.406
120 HA PHE 16 HA PHE 16 -17.552 4.872 10.983
121 HB2 PHE 16 HB2 PHE 16 -15.065 3.870 10.719
122 HB3 PHE 16 HB3 PHE 16 -14.892 5.121 9.504
123 HD1 PHE 16 HD2 PHE 16 -16.759 7.103 11.076
124 HD2 PHE 16 HD1 PHE 16 -13.348 4.810 12.133
125 HE1 PHE 16 HE2 PHE 16 -16.196 8.767 12.868
126 HE2 PHE 16 HE1 PHE 16 -12.785 6.474 13.926
127 HZ PHE 16 HZ PHE 16 -14.216 8.433 14.272
128 H GLY 17 H GLY 17 -16.038 4.973 7.676
129 HA2 GLY 17 HA2 GLY 17 -16.569 7.635 7.112
130 HA3 GLY 17 HA3 GLY 17 -16.381 6.351 5.935
131 H ALA 18 H ALA 18 -18.740 4.845 7.272
132 HA ALA 18 HA ALA 18 -20.733 5.898 5.557
133 HB1 ALA 18 HB1 ALA 18 -22.105 4.148 7.007
134 HB2 ALA 18 HB2 ALA 18 -20.887 3.601 5.831
135 HB3 ALA 18 HB3 ALA 18 -20.483 3.671 7.563
136 H VAL 19 H VAL 19 -20.277 5.808 9.155
137 HA VAL 19 HA VAL 19 -22.633 7.283 9.662
138 HB VAL 19 HB VAL 19 -21.642 7.500 11.930
139 HG11 VAL 19 HG11 VAL 19 -22.426 5.454 12.412
140 HG12 VAL 19 HG12 VAL 19 -22.657 5.260 10.658
141 HG13 VAL 19 HG13 VAL 19 -21.176 4.648 11.435
142 HG21 VAL 19 HG21 VAL 19 -19.530 6.606 12.500
143 HG22 VAL 19 HG22 VAL 19 -19.347 5.807 10.920
144 HG23 VAL 19 HG23 VAL 19 -19.246 7.580 11.037
145 H GLU 20 H GLU 20 -19.204 8.105 9.042
146 HA GLU 20 HA GLU 20 -19.475 10.781 9.836
147 HB2 GLU 20 HB2 GLU 20 -17.457 9.481 7.952
148 HB3 GLU 20 HB3 GLU 20 -17.292 11.081 8.650
149 HG2 GLU 20 HG2 GLU 20 -17.863 8.995 10.674
150 HG3 GLU 20 HG3 GLU 20 -16.376 8.701 9.794
151 HE2 GLU 20 HE2 GLU 20 -14.737 9.674 11.211
152 H ARG 21 H ARG 21 -20.123 8.978 6.843
153 HA ARG 21 HA ARG 21 -20.048 11.014 5.042
154 HB2 ARG 21 HB2 ARG 21 -21.228 8.337 5.231
155 HB3 ARG 21 HB3 ARG 21 -22.283 9.399 4.321
156 HG2 ARG 21 HG2 ARG 21 -20.763 9.672 2.591
157 HG3 ARG 21 HG3 ARG 21 -19.370 9.586 3.651
158 HD2 ARG 21 HD2 ARG 21 -19.321 7.570 2.335
159 HD3 ARG 21 HD3 ARG 21 -19.853 7.083 3.932
160 HE ARG 21 HE ARG 21 -22.242 7.584 2.678
161 HH11 ARG 21 HH22 ARG 21 -19.425 5.659 1.722
162 HH12 ARG 21 HH21 ARG 21 -20.354 4.542 0.778
163 HH21 ARG 21 HH11 ARG 21 -22.728 4.827 0.623
164 H ALA 22 H ALA 22 -22.658 10.018 7.322
165 HA ALA 22 HA ALA 22 -24.642 11.719 6.309
166 HB1 ALA 22 HB1 ALA 22 -24.402 9.746 8.265
167 HB2 ALA 22 HB2 ALA 22 -24.750 11.221 9.198
168 HB3 ALA 22 HB3 ALA 22 -25.862 10.699 7.910
169 H VAL 23 H VAL 23 -21.905 12.180 8.559
170 HA VAL 23 HA VAL 23 -22.796 14.663 9.566
171 HB VAL 23 HB VAL 23 -20.076 13.355 9.400
172 HG11 VAL 23 HG11 VAL 23 -19.134 15.224 10.165
173 HG12 VAL 23 HG12 VAL 23 -20.695 16.065 10.010
174 HG13 VAL 23 HG13 VAL 23 -20.267 15.258 11.537
175 HG21 VAL 23 HG21 VAL 23 -21.009 12.013 10.945
176 HG22 VAL 23 HG22 VAL 23 -20.847 13.405 12.042
177 HG23 VAL 23 HG23 VAL 23 -22.388 13.109 11.202
178 H LEU 24 H LEU 24 -20.899 13.618 6.715
179 HA LEU 24 HA LEU 24 -20.372 16.386 6.024
180 HB2 LEU 24 HB2 LEU 24 -19.655 13.942 4.422
181 HB3 LEU 24 HB3 LEU 24 -18.935 15.539 4.359
182 HG LEU 24 HG LEU 24 -18.743 13.706 6.762
183 HD11 LEU 24 HD11 LEU 24 -16.516 13.113 6.038
184 HD12 LEU 24 HD12 LEU 24 -17.689 12.691 4.767
185 HD13 LEU 24 HD13 LEU 24 -16.673 14.142 4.593
186 HD21 LEU 24 HD21 LEU 24 -17.684 16.415 6.095
187 HD22 LEU 24 HD22 LEU 24 -18.267 15.756 7.642
188 HD23 LEU 24 HD23 LEU 24 -16.652 15.313 7.038
189 H GLY 25 H GLY 25 -23.126 14.854 6.100
190 HA2 GLY 25 HA2 GLY 25 -24.136 14.499 3.563
191 HA3 GLY 25 HA3 GLY 25 -25.054 15.033 4.957
192 H GLY 26 H GLY 26 -24.849 17.459 5.533
193 HA2 GLY 26 HA2 GLY 26 -25.073 18.973 3.029
194 HA3 GLY 26 HA3 GLY 26 -25.722 19.415 4.596
195 H SER 27 H SER 27 -24.267 20.228 6.284
196 HA SER 27 HA SER 27 -21.547 20.643 5.632
197 HB2 SER 27 HB2 SER 27 -23.043 23.233 6.004
198 HB3 SER 27 HB3 SER 27 -21.491 22.953 5.239
199 HG SER 27 HG SER 27 -22.466 22.295 3.363
200 H ARG 28 H ARG 28 -21.459 23.122 7.390
201 HA ARG 28 HA ARG 28 -21.288 23.650 9.477
202 HB2 ARG 28 HB2 ARG 28 -23.625 21.711 9.830
203 HB3 ARG 28 HB3 ARG 28 -23.002 22.685 11.147
204 HG2 ARG 28 HG2 ARG 28 -24.615 24.158 10.397
205 HG3 ARG 28 HG3 ARG 28 -23.312 24.669 9.342
206 HD2 ARG 28 HD2 ARG 28 -24.691 24.205 7.592
207 HD3 ARG 28 HD3 ARG 28 -24.441 22.507 7.949
208 HE ARG 28 HE ARG 28 -26.591 22.399 8.889
209 HH11 ARG 28 HH22 ARG 28 -25.664 25.797 8.497
210 HH12 ARG 28 HH21 ARG 28 -27.239 26.401 8.890
211 HH21 ARG 28 HH11 ARG 28 -28.990 24.853 9.421
212 H ASP 29 H ASP 29 -19.229 22.189 8.938
213 HA ASP 29 HA ASP 29 -19.240 19.885 10.709
214 HB2 ASP 29 HB2 ASP 29 -18.488 19.739 8.237
215 HB3 ASP 29 HB3 ASP 29 -17.091 20.689 8.701
216 HD2 ASP 29 HD2 ASP 29 -16.761 17.651 7.937
217 H TYR 30 H TYR 30 -18.142 23.169 10.253
218 HA TYR 30 HA TYR 30 -16.575 22.988 12.698
219 HB2 TYR 30 HB2 TYR 30 -15.594 24.471 10.204
220 HB3 TYR 30 HB3 TYR 30 -14.643 23.993 11.596
221 HD1 TYR 30 HD2 TYR 30 -14.742 21.270 11.989
222 HD2 TYR 30 HD1 TYR 30 -15.167 23.309 8.252
223 HE1 TYR 30 HE2 TYR 30 -14.000 19.176 10.754
224 HE2 TYR 30 HE1 TYR 30 -14.424 21.207 7.029
225 HH TYR 30 HH TYR 30 -12.967 18.618 8.619
226 H ASN 31 H ASN 31 -15.485 25.745 12.077
227 HA ASN 31 HA ASN 31 -16.093 27.855 12.078
228 HB2 ASN 31 HB2 ASN 31 -18.148 27.017 10.621
229 HB3 ASN 31 HB3 ASN 31 -19.062 27.185 12.107
230 HD21 ASN 31 HD21 ASN 31 -18.822 28.647 9.415
231 HD22 ASN 31 HD22 ASN 31 -18.766 30.327 9.831
232 H LYS 32 H LYS 32 -15.553 26.370 14.414
233 HA LYS 32 HA LYS 32 -15.701 26.475 16.613
234 HB2 LYS 32 HB2 LYS 32 -16.372 29.034 15.775
235 HB3 LYS 32 HB3 LYS 32 -17.674 28.625 16.875
236 HG2 LYS 32 HG2 LYS 32 -15.820 27.810 18.509
237 HG3 LYS 32 HG3 LYS 32 -14.684 28.625 17.453
238 HD2 LYS 32 HD2 LYS 32 -16.985 30.346 18.083
239 HD3 LYS 32 HD3 LYS 32 -16.182 29.797 19.540
240 HE2 LYS 32 HE2 LYS 32 -15.144 31.891 18.788
241 HE3 LYS 32 HE3 LYS 32 -13.986 30.585 18.628
242 HZ1 LYS 32 HZ1 LYS 32 -15.686 31.296 16.326
243 HZ2 LYS 32 HZ2 LYS 32 -14.350 32.173 16.636
Start of MODEL 2
1 H1 ARG 1 H ARG 1 1.892 -2.106 7.317
2 HA ARG 1 HA ARG 1 0.158 -2.675 9.551
3 HB2 ARG 1 HB2 ARG 1 0.284 -0.254 7.680
4 HB3 ARG 1 HB3 ARG 1 -0.751 -0.373 9.089
5 HG2 ARG 1 HG2 ARG 1 2.121 -0.959 9.626
6 HG3 ARG 1 HG3 ARG 1 1.806 0.682 9.099
7 HD2 ARG 1 HD2 ARG 1 0.754 1.240 11.059
8 HD3 ARG 1 HD3 ARG 1 -0.150 -0.259 11.112
9 HE ARG 1 HE ARG 1 2.661 -0.723 11.667
10 HH11 ARG 1 HH22 ARG 1 -0.341 0.442 13.148
11 HH12 ARG 1 HH21 ARG 1 0.154 0.045 14.760
12 HH21 ARG 1 HH11 ARG 1 2.306 -0.948 15.115
13 H ARG 2 H ARG 2 0.246 -4.142 6.821
14 HA ARG 2 HA ARG 2 -1.179 -5.107 5.511
15 HB2 ARG 2 HB2 ARG 2 -3.473 -3.737 6.994
16 HB3 ARG 2 HB3 ARG 2 -3.562 -5.217 6.060
17 HG2 ARG 2 HG2 ARG 2 -2.330 -6.466 7.683
18 HG3 ARG 2 HG3 ARG 2 -1.688 -5.023 8.442
19 HD2 ARG 2 HD2 ARG 2 -3.414 -5.836 9.914
20 HD3 ARG 2 HD3 ARG 2 -4.081 -4.419 9.127
21 HE ARG 2 HE ARG 2 -4.824 -6.522 7.458
22 HH11 ARG 2 HH22 ARG 2 -5.284 -5.796 10.896
23 HH12 ARG 2 HH21 ARG 2 -6.782 -6.658 11.004
24 HH21 ARG 2 HH11 ARG 2 -7.655 -7.745 9.055
25 H SER 3 H SER 3 -0.220 -3.517 3.913
26 HA SER 3 HA SER 3 -1.734 -1.192 3.335
27 HB2 SER 3 HB2 SER 3 0.846 -1.842 2.918
28 HB3 SER 3 HB3 SER 3 0.222 -2.348 1.361
29 HG SER 3 HG SER 3 0.182 -0.298 0.778
30 H ARG 4 H ARG 4 -1.855 -4.572 2.477
31 HA ARG 4 HA ARG 4 -2.982 -4.256 -0.064
32 HB2 ARG 4 HB2 ARG 4 -3.729 -6.699 0.356
33 HB3 ARG 4 HB3 ARG 4 -2.006 -6.389 0.430
34 HG2 ARG 4 HG2 ARG 4 -1.886 -6.863 2.669
35 HG3 ARG 4 HG3 ARG 4 -3.362 -5.991 3.034
36 HD2 ARG 4 HD2 ARG 4 -4.751 -7.861 2.482
37 HD3 ARG 4 HD3 ARG 4 -3.478 -8.660 1.583
38 HE ARG 4 HE ARG 4 -2.364 -8.567 4.069
39 HH11 ARG 4 HH22 ARG 4 -5.602 -9.551 3.020
40 HH12 ARG 4 HH21 ARG 4 -5.815 -10.677 4.319
41 HH21 ARG 4 HH11 ARG 4 -4.063 -10.957 5.930
42 H LYS 5 H LYS 5 -4.184 -3.937 3.203
43 HA LYS 5 HA LYS 5 -6.946 -4.283 2.329
44 HB2 LYS 5 HB2 LYS 5 -5.786 -5.230 4.530
45 HB3 LYS 5 HB3 LYS 5 -6.194 -3.644 5.154
46 HG2 LYS 5 HG2 LYS 5 -8.577 -4.130 4.096
47 HG3 LYS 5 HG3 LYS 5 -8.054 -5.803 4.118
48 HD2 LYS 5 HD2 LYS 5 -7.419 -5.352 6.626
49 HD3 LYS 5 HD3 LYS 5 -8.417 -3.920 6.476
50 HE2 LYS 5 HE2 LYS 5 -10.393 -5.135 6.285
51 HE3 LYS 5 HE3 LYS 5 -9.618 -6.483 5.476
52 HZ1 LYS 5 HZ1 LYS 5 -10.078 -6.131 8.266
53 HZ2 LYS 5 HZ2 LYS 5 -9.632 -7.483 7.476
54 H ASN 6 H ASN 6 -4.497 -1.876 2.909
55 HA ASN 6 HA ASN 6 -6.478 0.174 3.315
56 HB2 ASN 6 HB2 ASN 6 -3.552 -0.119 3.691
57 HB3 ASN 6 HB3 ASN 6 -3.976 1.421 2.970
58 HD21 ASN 6 HD21 ASN 6 -5.901 2.535 3.994
59 HD22 ASN 6 HD22 ASN 6 -5.969 2.575 5.725
60 H GLY 7 H GLY 7 -7.513 0.086 1.172
61 HA2 GLY 7 HA2 GLY 7 -6.453 1.803 -0.757
62 HA3 GLY 7 HA3 GLY 7 -6.077 0.165 -1.254
63 H ILE 8 H ILE 8 -8.445 -1.101 -0.011
64 HA ILE 8 HA ILE 8 -10.492 -0.003 -1.812
65 HB ILE 8 HB ILE 8 -9.314 -2.352 -2.159
66 HG12 ILE 8 HG12 ILE 8 -11.573 -3.121 -3.151
67 HG13 ILE 8 HG13 ILE 8 -12.203 -1.587 -2.585
68 HG21 ILE 8 HG21 ILE 8 -10.089 -3.000 0.217
69 HG22 ILE 8 HG22 ILE 8 -11.689 -3.225 -0.530
70 HG23 ILE 8 HG23 ILE 8 -10.298 -4.176 -1.103
71 HD11 ILE 8 HD11 ILE 8 -9.702 -1.035 -3.884
72 HD12 ILE 8 HD12 ILE 8 -10.638 -2.114 -4.947
73 HD13 ILE 8 HD13 ILE 8 -11.338 -0.569 -4.409
74 H GLY 9 H GLY 9 -9.672 -1.333 1.401
75 HA2 GLY 9 HA2 GLY 9 -12.312 -1.403 2.418
76 HA3 GLY 9 HA3 GLY 9 -10.819 -1.394 3.336
77 H TYR 10 H TYR 10 -9.865 1.163 2.004
78 HA TYR 10 HA TYR 10 -11.015 2.947 3.882
79 HB2 TYR 10 HB2 TYR 10 -9.190 4.249 3.126
80 HB3 TYR 10 HB3 TYR 10 -8.667 2.701 2.495
81 HD1 TYR 10 HD1 TYR 10 -10.741 5.664 1.499
82 HD2 TYR 10 HD2 TYR 10 -8.115 2.532 0.238
83 HE1 TYR 10 HE1 TYR 10 -10.712 6.626 -0.855
84 HE2 TYR 10 HE2 TYR 10 -8.094 3.503 -2.111
85 HH TYR 10 HH TYR 10 -10.204 5.322 -3.325
86 H ALA 11 H ALA 11 -11.500 2.268 0.399
87 HA ALA 11 HA ALA 11 -12.888 4.593 -0.245
88 HB1 ALA 11 HB1 ALA 11 -13.044 3.575 -2.263
89 HB2 ALA 11 HB2 ALA 11 -12.021 2.311 -1.539
90 HB3 ALA 11 HB3 ALA 11 -13.790 2.115 -1.572
91 H ILE 12 H ILE 12 -14.151 1.319 0.715
92 HA ILE 12 HA ILE 12 -16.814 2.220 0.874
93 HB ILE 12 HB ILE 12 -16.447 -0.055 0.470
94 HG12 ILE 12 HG12 ILE 12 -17.651 -1.178 2.284
95 HG13 ILE 12 HG13 ILE 12 -17.328 0.164 3.364
96 HG21 ILE 12 HG21 ILE 12 -15.293 -1.446 2.378
97 HG22 ILE 12 HG22 ILE 12 -14.324 -0.615 1.138
98 HG23 ILE 12 HG23 ILE 12 -14.515 0.111 2.752
99 HD11 ILE 12 HD11 ILE 12 -18.624 1.694 1.949
100 HD12 ILE 12 HD12 ILE 12 -18.851 0.418 0.729
101 HD13 ILE 12 HD13 ILE 12 -19.616 0.265 2.330
102 H GLY 13 H GLY 13 -14.080 2.065 3.172
103 HA2 GLY 13 HA2 GLY 13 -15.580 2.538 5.521
104 HA3 GLY 13 HA3 GLY 13 -13.861 2.794 5.290
105 H TYR 14 H TYR 14 -14.335 4.630 2.912
106 HA TYR 14 HA TYR 14 -14.527 7.036 4.426
107 HB2 TYR 14 HB2 TYR 14 -13.038 7.011 2.532
108 HB3 TYR 14 HB3 TYR 14 -14.158 6.084 1.555
109 HD1 TYR 14 HD2 TYR 14 -14.043 9.439 3.250
110 HD2 TYR 14 HD1 TYR 14 -15.162 7.191 -0.214
111 HE1 TYR 14 HE2 TYR 14 -14.824 11.573 2.108
112 HE2 TYR 14 HE1 TYR 14 -15.940 9.332 -1.343
113 HH TYR 14 HH TYR 14 -16.797 11.602 -0.497
114 H ALA 15 H ALA 15 -16.529 5.492 1.816
115 HA ALA 15 HA ALA 15 -18.486 7.509 1.838
116 HB1 ALA 15 HB1 ALA 15 -18.196 4.716 0.768
117 HB2 ALA 15 HB2 ALA 15 -19.819 5.450 0.799
118 HB3 ALA 15 HB3 ALA 15 -18.501 6.242 -0.098
119 H PHE 16 H PHE 16 -18.318 4.231 3.389
120 HA PHE 16 HA PHE 16 -20.803 4.525 4.684
121 HB2 PHE 16 HB2 PHE 16 -19.159 2.470 4.112
122 HB3 PHE 16 HB3 PHE 16 -18.438 2.854 5.662
123 HD1 PHE 16 HD2 PHE 16 -21.241 3.743 6.834
124 HD2 PHE 16 HD1 PHE 16 -19.816 0.259 4.877
125 HE1 PHE 16 HE2 PHE 16 -22.999 2.374 7.992
126 HE2 PHE 16 HE1 PHE 16 -21.573 -1.111 6.033
127 HZ PHE 16 HZ PHE 16 -23.143 -0.037 7.577
128 H GLY 17 H GLY 17 -17.378 4.722 5.900
129 HA2 GLY 17 HA2 GLY 17 -17.966 5.398 8.526
130 HA3 GLY 17 HA3 GLY 17 -16.495 5.798 7.663
131 H ALA 18 H ALA 18 -18.232 7.294 5.557
132 HA ALA 18 HA ALA 18 -17.982 9.837 6.776
133 HB1 ALA 18 HB1 ALA 18 -19.284 10.429 4.551
134 HB2 ALA 18 HB2 ALA 18 -17.601 9.852 4.480
135 HB3 ALA 18 HB3 ALA 18 -18.940 8.730 4.143
136 H VAL 19 H VAL 19 -20.811 7.813 5.730
137 HA VAL 19 HA VAL 19 -22.712 9.634 6.740
138 HB VAL 19 HB VAL 19 -24.270 7.743 6.420
139 HG11 VAL 19 HG11 VAL 19 -23.993 7.564 3.988
140 HG12 VAL 19 HG12 VAL 19 -23.691 9.227 4.548
141 HG13 VAL 19 HG13 VAL 19 -22.324 8.169 4.126
142 HG21 VAL 19 HG21 VAL 19 -23.587 5.592 5.729
143 HG22 VAL 19 HG22 VAL 19 -21.915 6.125 5.424
144 HG23 VAL 19 HG23 VAL 19 -22.518 5.997 7.094
145 H GLU 20 H GLU 20 -20.871 6.899 8.110
146 HA GLU 20 HA GLU 20 -22.472 6.692 10.410
147 HB2 GLU 20 HB2 GLU 20 -19.593 5.811 9.913
148 HB3 GLU 20 HB3 GLU 20 -20.567 5.316 11.283
149 HG2 GLU 20 HG2 GLU 20 -21.993 4.895 8.745
150 HG3 GLU 20 HG3 GLU 20 -20.453 4.058 8.759
151 HE2 GLU 20 HE2 GLU 20 -21.732 3.387 12.176
152 H ARG 21 H ARG 21 -19.722 8.711 9.427
153 HA ARG 21 HA ARG 21 -18.778 9.436 11.876
154 HB2 ARG 21 HB2 ARG 21 -18.648 10.431 9.128
155 HB3 ARG 21 HB3 ARG 21 -18.711 11.781 10.244
156 HG2 ARG 21 HG2 ARG 21 -16.721 11.116 11.369
157 HG3 ARG 21 HG3 ARG 21 -16.827 9.466 10.787
158 HD2 ARG 21 HD2 ARG 21 -15.086 11.092 9.671
159 HD3 ARG 21 HD3 ARG 21 -16.012 10.017 8.643
160 HE ARG 21 HE ARG 21 -17.043 11.883 7.695
161 HH11 ARG 21 HH22 ARG 21 -15.747 12.816 10.858
162 HH12 ARG 21 HH21 ARG 21 -16.153 14.489 10.669
163 HH21 ARG 21 HH11 ARG 21 -17.229 15.216 8.654
164 H ALA 22 H ALA 22 -21.491 10.832 9.925
165 HA ALA 22 HA ALA 22 -22.071 12.996 11.540
166 HB1 ALA 22 HB1 ALA 22 -22.995 12.085 9.205
167 HB2 ALA 22 HB2 ALA 22 -24.287 11.439 10.245
168 HB3 ALA 22 HB3 ALA 22 -23.957 13.187 10.218
169 H VAL 23 H VAL 23 -22.939 9.526 11.837
170 HA VAL 23 HA VAL 23 -24.799 9.906 13.923
171 HB VAL 23 HB VAL 23 -23.144 7.488 13.171
172 HG11 VAL 23 HG11 VAL 23 -25.067 6.231 14.193
173 HG12 VAL 23 HG12 VAL 23 -24.092 7.163 15.353
174 HG13 VAL 23 HG13 VAL 23 -25.674 7.782 14.820
175 HG21 VAL 23 HG21 VAL 23 -24.406 8.339 11.254
176 HG22 VAL 23 HG22 VAL 23 -25.099 6.806 11.835
177 HG23 VAL 23 HG23 VAL 23 -25.898 8.348 12.223
178 H LEU 24 H LEU 24 -21.262 9.685 13.733
179 HA LEU 24 HA LEU 24 -20.973 9.230 16.550
180 HB2 LEU 24 HB2 LEU 24 -18.952 9.993 14.437
181 HB3 LEU 24 HB3 LEU 24 -18.582 9.504 16.079
182 HG LEU 24 HG LEU 24 -19.725 7.820 13.847
183 HD11 LEU 24 HD11 LEU 24 -17.337 7.183 15.563
184 HD12 LEU 24 HD12 LEU 24 -17.749 6.600 13.932
185 HD13 LEU 24 HD13 LEU 24 -17.201 8.277 14.167
186 HD21 LEU 24 HD21 LEU 24 -19.615 7.185 16.803
187 HD22 LEU 24 HD22 LEU 24 -21.036 7.195 15.731
188 HD23 LEU 24 HD23 LEU 24 -19.779 5.951 15.531
189 H GLY 25 H GLY 25 -21.633 11.921 14.481
190 HA2 GLY 25 HA2 GLY 25 -21.831 14.121 14.888
191 HA3 GLY 25 HA3 GLY 25 -21.867 13.734 16.596
192 H GLY 26 H GLY 26 -20.046 15.152 14.029
193 HA2 GLY 26 HA2 GLY 26 -18.216 16.470 15.506
194 HA3 GLY 26 HA3 GLY 26 -17.456 14.906 15.290
195 H SER 27 H SER 27 -18.736 17.798 13.618
196 HA SER 27 HA SER 27 -16.752 17.800 11.739
197 HB2 SER 27 HB2 SER 27 -18.167 17.214 9.671
198 HB3 SER 27 HB3 SER 27 -17.593 15.871 10.639
199 HG SER 27 HG SER 27 -19.620 15.295 10.976
200 H ARG 28 H ARG 28 -16.796 19.802 10.632
201 HA ARG 28 HA ARG 28 -19.211 21.159 10.211
202 HB2 ARG 28 HB2 ARG 28 -18.237 23.179 11.742
203 HB3 ARG 28 HB3 ARG 28 -19.365 21.992 12.368
204 HG2 ARG 28 HG2 ARG 28 -17.457 22.239 13.910
205 HG3 ARG 28 HG3 ARG 28 -17.475 20.623 13.233
206 HD2 ARG 28 HD2 ARG 28 -15.184 21.402 13.123
207 HD3 ARG 28 HD3 ARG 28 -15.798 21.408 11.482
208 HE ARG 28 HE ARG 28 -16.377 23.966 12.375
209 HH11 ARG 28 HH22 ARG 28 -13.409 22.033 12.263
210 HH12 ARG 28 HH21 ARG 28 -12.370 23.411 12.106
211 HH21 ARG 28 HH11 ARG 28 -13.332 25.606 12.054
212 H ASP 29 H ASP 29 -16.976 20.323 8.624
213 HA ASP 29 HA ASP 29 -15.476 22.766 8.220
214 HB2 ASP 29 HB2 ASP 29 -14.224 21.234 6.535
215 HB3 ASP 29 HB3 ASP 29 -14.011 20.907 8.244
216 HD2 ASP 29 HD2 ASP 29 -15.339 17.849 8.209
217 H TYR 30 H TYR 30 -18.312 22.692 7.527
218 HA TYR 30 HA TYR 30 -18.081 23.069 4.638
219 HB2 TYR 30 HB2 TYR 30 -19.652 21.083 6.231
220 HB3 TYR 30 HB3 TYR 30 -20.666 22.019 5.150
221 HD1 TYR 30 HD2 TYR 30 -17.390 20.178 5.042
222 HD2 TYR 30 HD1 TYR 30 -21.038 21.156 3.032
223 HE1 TYR 30 HE2 TYR 30 -16.739 18.663 3.107
224 HE2 TYR 30 HE1 TYR 30 -20.374 19.638 1.104
225 HH TYR 30 HH TYR 30 -18.462 18.695 0.135
226 H ASN 31 H ASN 31 -20.496 23.942 3.930
227 HA ASN 31 HA ASN 31 -22.146 25.253 5.481
228 HB2 ASN 31 HB2 ASN 31 -19.501 26.613 5.581
229 HB3 ASN 31 HB3 ASN 31 -20.810 27.694 5.142
230 HD21 ASN 31 HD21 ASN 31 -22.941 26.886 6.479
231 HD22 ASN 31 HD22 ASN 31 -22.716 26.933 8.196
232 H LYS 32 H LYS 32 -19.956 25.288 2.708
233 HA LYS 32 HA LYS 32 -20.203 25.836 0.585
234 HB2 LYS 32 HB2 LYS 32 -22.922 25.179 1.464
235 HB3 LYS 32 HB3 LYS 32 -22.899 26.261 0.086
236 HG2 LYS 32 HG2 LYS 32 -21.359 24.711 -1.121
237 HG3 LYS 32 HG3 LYS 32 -21.342 23.637 0.263
238 HD2 LYS 32 HD2 LYS 32 -24.052 24.371 -0.785
239 HD3 LYS 32 HD3 LYS 32 -23.074 23.365 -1.835
240 HE2 LYS 32 HE2 LYS 32 -23.818 21.604 -0.594
241 HE3 LYS 32 HE3 LYS 32 -22.696 22.145 0.639
242 HZ1 LYS 32 HZ1 LYS 32 -24.539 23.582 1.501
243 HZ2 LYS 32 HZ2 LYS 32 -25.564 22.886 0.443
Start of MODEL 3
1 H1 ARG 1 H ARG 1 4.049 -3.326 2.948
2 HA ARG 1 HA ARG 1 1.999 -3.482 1.945
3 HB2 ARG 1 HB2 ARG 1 0.368 -3.710 3.967
4 HB3 ARG 1 HB3 ARG 1 1.811 -4.705 3.982
5 HG2 ARG 1 HG2 ARG 1 2.310 -2.067 5.187
6 HG3 ARG 1 HG3 ARG 1 0.993 -2.898 5.991
7 HD2 ARG 1 HD2 ARG 1 2.605 -4.023 7.149
8 HD3 ARG 1 HD3 ARG 1 2.857 -4.946 5.680
9 HE ARG 1 HE ARG 1 4.324 -2.396 5.766
10 HH11 ARG 1 HH22 ARG 1 4.437 -5.861 6.501
11 HH12 ARG 1 HH21 ARG 1 6.167 -5.928 6.511
12 HH21 ARG 1 HH11 ARG 1 7.423 -3.932 6.085
13 H ARG 2 H ARG 2 1.490 -1.636 0.640
14 HA ARG 2 HA ARG 2 0.405 0.647 2.009
15 HB2 ARG 2 HB2 ARG 2 1.718 0.142 -0.540
16 HB3 ARG 2 HB3 ARG 2 0.183 0.932 -0.843
17 HG2 ARG 2 HG2 ARG 2 1.606 2.150 1.432
18 HG3 ARG 2 HG3 ARG 2 2.574 2.179 -0.028
19 HD2 ARG 2 HD2 ARG 2 -0.335 3.008 -0.187
20 HD3 ARG 2 HD3 ARG 2 0.833 4.135 0.475
21 HE ARG 2 HE ARG 2 2.019 3.239 -1.886
22 HH11 ARG 2 HH22 ARG 2 -1.058 4.796 -1.073
23 HH12 ARG 2 HH21 ARG 2 -1.204 5.590 -2.606
24 HH21 ARG 2 HH11 ARG 2 0.503 5.274 -4.258
25 H SER 3 H SER 3 -0.922 -2.161 1.687
26 HA SER 3 HA SER 3 -3.330 -1.218 0.342
27 HB2 SER 3 HB2 SER 3 -3.762 -3.888 0.530
28 HB3 SER 3 HB3 SER 3 -2.943 -3.149 -0.832
29 HG SER 3 HG SER 3 -1.642 -4.257 1.511
30 H ARG 4 H ARG 4 -1.847 -2.068 3.353
31 HA ARG 4 HA ARG 4 -4.339 -2.794 4.572
32 HB2 ARG 4 HB2 ARG 4 -1.546 -3.208 5.140
33 HB3 ARG 4 HB3 ARG 4 -2.216 -2.328 6.498
34 HG2 ARG 4 HG2 ARG 4 -4.204 -4.192 6.078
35 HG3 ARG 4 HG3 ARG 4 -2.798 -5.103 5.563
36 HD2 ARG 4 HD2 ARG 4 -1.696 -4.275 7.798
37 HD3 ARG 4 HD3 ARG 4 -3.325 -3.854 8.286
38 HE ARG 4 HE ARG 4 -2.234 -6.559 7.984
39 HH11 ARG 4 HH22 ARG 4 -5.204 -4.631 8.116
40 HH12 ARG 4 HH21 ARG 4 -6.198 -5.969 8.588
41 HH21 ARG 4 HH11 ARG 4 -5.202 -8.131 8.870
42 H LYS 5 H LYS 5 -2.504 0.043 3.860
43 HA LYS 5 HA LYS 5 -3.618 1.513 6.118
44 HB2 LYS 5 HB2 LYS 5 -1.368 2.038 5.920
45 HB3 LYS 5 HB3 LYS 5 -1.386 1.981 4.169
46 HG2 LYS 5 HG2 LYS 5 -1.236 4.317 4.877
47 HG3 LYS 5 HG3 LYS 5 -2.797 4.057 4.126
48 HD2 LYS 5 HD2 LYS 5 -3.941 4.028 6.235
49 HD3 LYS 5 HD3 LYS 5 -2.456 3.791 7.135
50 HE2 LYS 5 HE2 LYS 5 -2.048 6.030 7.239
51 HE3 LYS 5 HE3 LYS 5 -2.307 6.234 5.518
52 HZ1 LYS 5 HZ1 LYS 5 -4.610 5.877 7.338
53 HZ2 LYS 5 HZ2 LYS 5 -3.959 7.352 7.110
54 H ASN 6 H ASN 6 -3.228 2.068 2.543
55 HA ASN 6 HA ASN 6 -5.868 3.297 2.665
56 HB2 ASN 6 HB2 ASN 6 -3.379 3.876 1.036
57 HB3 ASN 6 HB3 ASN 6 -4.936 4.262 0.330
58 HD21 ASN 6 HD21 ASN 6 -6.482 5.207 2.185
59 HD22 ASN 6 HD22 ASN 6 -5.838 6.593 3.000
60 H GLY 7 H GLY 7 -7.062 1.328 2.221
61 HA2 GLY 7 HA2 GLY 7 -7.604 0.641 -0.363
62 HA3 GLY 7 HA3 GLY 7 -6.290 -0.428 0.085
63 H ILE 8 H ILE 8 -7.072 -0.444 3.003
64 HA ILE 8 HA ILE 8 -9.456 -2.138 2.721
65 HB ILE 8 HB ILE 8 -7.046 -3.059 3.323
66 HG12 ILE 8 HG12 ILE 8 -8.246 -4.861 4.678
67 HG13 ILE 8 HG13 ILE 8 -9.704 -3.908 4.489
68 HG21 ILE 8 HG21 ILE 8 -6.652 -1.623 5.233
69 HG22 ILE 8 HG22 ILE 8 -8.153 -2.187 6.007
70 HG23 ILE 8 HG23 ILE 8 -6.796 -3.315 5.767
71 HD11 ILE 8 HD11 ILE 8 -9.650 -4.103 2.085
72 HD12 ILE 8 HD12 ILE 8 -7.990 -4.744 2.114
73 HD13 ILE 8 HD13 ILE 8 -9.335 -5.732 2.731
74 H GLY 9 H GLY 9 -7.723 0.381 4.569
75 HA2 GLY 9 HA2 GLY 9 -9.563 0.550 6.711
76 HA3 GLY 9 HA3 GLY 9 -8.393 1.758 6.218
77 H TYR 10 H TYR 10 -9.483 1.845 3.387
78 HA TYR 10 HA TYR 10 -11.384 3.897 3.841
79 HB2 TYR 10 HB2 TYR 10 -10.952 4.227 1.539
80 HB3 TYR 10 HB3 TYR 10 -9.579 3.200 1.904
81 HD1 TYR 10 HD1 TYR 10 -13.166 2.940 0.834
82 HD2 TYR 10 HD2 TYR 10 -9.223 1.294 0.613
83 HE1 TYR 10 HE1 TYR 10 -13.959 1.255 -0.897
84 HE2 TYR 10 HE2 TYR 10 -10.029 -0.385 -1.117
85 HH TYR 10 HH TYR 10 -11.781 -1.264 -2.090
86 H ALA 11 H ALA 11 -11.552 0.432 2.953
87 HA ALA 11 HA ALA 11 -14.176 0.412 2.023
88 HB1 ALA 11 HB1 ALA 11 -13.702 -1.778 1.768
89 HB2 ALA 11 HB2 ALA 11 -12.092 -1.405 2.430
90 HB3 ALA 11 HB3 ALA 11 -13.385 -1.986 3.508
91 H ILE 12 H ILE 12 -12.803 -0.050 5.343
92 HA ILE 12 HA ILE 12 -15.354 -0.424 6.516
93 HB ILE 12 HB ILE 12 -13.375 -1.365 7.494
94 HG12 ILE 12 HG12 ILE 12 -15.383 -0.392 8.883
95 HG13 ILE 12 HG13 ILE 12 -13.968 -1.052 9.682
96 HG21 ILE 12 HG21 ILE 12 -11.742 0.213 8.670
97 HG22 ILE 12 HG22 ILE 12 -11.622 0.077 6.899
98 HG23 ILE 12 HG23 ILE 12 -12.415 1.492 7.630
99 HD11 ILE 12 HD11 ILE 12 -13.000 1.263 9.839
100 HD12 ILE 12 HD12 ILE 12 -14.491 1.902 9.108
101 HD13 ILE 12 HD13 ILE 12 -14.550 1.105 10.698
102 H GLY 13 H GLY 13 -13.164 2.378 5.991
103 HA2 GLY 13 HA2 GLY 13 -14.571 4.231 7.563
104 HA3 GLY 13 HA3 GLY 13 -13.491 4.588 6.230
105 H TYR 14 H TYR 14 -15.143 2.879 4.316
106 HA TYR 14 HA TYR 14 -16.854 4.970 3.445
107 HB2 TYR 14 HB2 TYR 14 -15.847 3.548 1.780
108 HB3 TYR 14 HB3 TYR 14 -16.098 2.103 2.739
109 HD1 TYR 14 HD2 TYR 14 -17.784 4.573 0.543
110 HD2 TYR 14 HD1 TYR 14 -18.087 0.787 2.510
111 HE1 TYR 14 HE2 TYR 14 -19.865 4.029 -0.812
112 HE2 TYR 14 HE1 TYR 14 -20.167 0.254 1.149
113 HH TYR 14 HH TYR 14 -20.953 1.326 -1.430
114 H ALA 15 H ALA 15 -17.395 1.664 4.838
115 HA ALA 15 HA ALA 15 -20.206 1.867 4.732
116 HB1 ALA 15 HB1 ALA 15 -18.303 0.128 6.348
117 HB2 ALA 15 HB2 ALA 15 -20.066 -0.109 6.285
118 HB3 ALA 15 HB3 ALA 15 -19.092 -0.283 4.806
119 H PHE 16 H PHE 16 -17.778 2.323 7.391
120 HA PHE 16 HA PHE 16 -19.688 3.026 9.313
121 HB2 PHE 16 HB2 PHE 16 -16.967 2.480 9.155
122 HB3 PHE 16 HB3 PHE 16 -16.917 4.222 9.342
123 HD1 PHE 16 HD1 PHE 16 -18.934 4.893 11.229
124 HD2 PHE 16 HD2 PHE 16 -16.471 1.438 11.143
125 HE1 PHE 16 HE1 PHE 16 -19.208 4.635 13.712
126 HE2 PHE 16 HE2 PHE 16 -16.746 1.180 13.625
127 HZ PHE 16 HZ PHE 16 -18.110 2.782 14.880
128 H GLY 17 H GLY 17 -17.420 5.079 7.341
129 HA2 GLY 17 HA2 GLY 17 -18.329 7.547 8.271
130 HA3 GLY 17 HA3 GLY 17 -17.522 7.242 6.746
131 H ALA 18 H ALA 18 -19.805 5.205 6.089
132 HA ALA 18 HA ALA 18 -21.389 7.082 4.657
133 HB1 ALA 18 HB1 ALA 18 -21.223 4.096 4.972
134 HB2 ALA 18 HB2 ALA 18 -22.686 4.801 4.245
135 HB3 ALA 18 HB3 ALA 18 -21.095 5.092 3.503
136 H VAL 19 H VAL 19 -22.010 4.781 7.398
137 HA VAL 19 HA VAL 19 -24.665 5.679 7.760
138 HB VAL 19 HB VAL 19 -24.497 4.404 9.873
139 HG11 VAL 19 HG11 VAL 19 -23.875 3.323 7.183
140 HG12 VAL 19 HG12 VAL 19 -23.569 2.222 8.548
141 HG13 VAL 19 HG13 VAL 19 -25.191 2.917 8.311
142 HG21 VAL 19 HG21 VAL 19 -21.663 3.712 9.057
143 HG22 VAL 19 HG22 VAL 19 -22.042 4.993 10.234
144 HG23 VAL 19 HG23 VAL 19 -22.512 3.311 10.570
145 H GLU 20 H GLU 20 -21.463 6.674 8.981
146 HA GLU 20 HA GLU 20 -22.471 8.235 11.074
147 HB2 GLU 20 HB2 GLU 20 -19.828 8.283 9.563
148 HB3 GLU 20 HB3 GLU 20 -20.146 9.308 10.948
149 HG2 GLU 20 HG2 GLU 20 -20.608 6.315 11.144
150 HG3 GLU 20 HG3 GLU 20 -18.985 6.959 11.303
151 HE2 GLU 20 HE2 GLU 20 -20.858 6.837 14.528
152 H ARG 21 H ARG 21 -22.007 8.745 7.594
153 HA ARG 21 HA ARG 21 -22.105 11.542 7.723
154 HB2 ARG 21 HB2 ARG 21 -21.797 9.506 5.712
155 HB3 ARG 21 HB3 ARG 21 -23.116 10.534 5.190
156 HG2 ARG 21 HG2 ARG 21 -21.752 12.372 4.884
157 HG3 ARG 21 HG3 ARG 21 -20.745 11.994 6.267
158 HD2 ARG 21 HD2 ARG 21 -19.493 11.748 4.120
159 HD3 ARG 21 HD3 ARG 21 -19.572 10.234 4.997
160 HE ARG 21 HE ARG 21 -21.019 9.348 3.345
161 HH11 ARG 21 HH22 ARG 21 -20.505 12.809 2.793
162 HH12 ARG 21 HH21 ARG 21 -21.209 12.788 1.210
163 HH21 ARG 21 HH11 ARG 21 -22.051 10.725 0.328
164 H ALA 22 H ALA 22 -24.528 8.927 7.107
165 HA ALA 22 HA ALA 22 -26.663 10.740 6.632
166 HB1 ALA 22 HB1 ALA 22 -26.539 7.771 7.292
167 HB2 ALA 22 HB2 ALA 22 -28.028 8.635 6.843
168 HB3 ALA 22 HB3 ALA 22 -26.688 8.510 5.680
169 H VAL 23 H VAL 23 -25.068 9.399 9.466
170 HA VAL 23 HA VAL 23 -27.139 9.482 11.296
171 HB VAL 23 HB VAL 23 -24.160 9.746 11.409
172 HG11 VAL 23 HG11 VAL 23 -24.231 9.836 13.867
173 HG12 VAL 23 HG12 VAL 23 -24.947 11.293 13.138
174 HG13 VAL 23 HG13 VAL 23 -26.000 10.026 13.810
175 HG21 VAL 23 HG21 VAL 23 -25.966 7.616 11.422
176 HG22 VAL 23 HG22 VAL 23 -24.235 7.550 11.826
177 HG23 VAL 23 HG23 VAL 23 -25.441 7.765 13.117
178 H LEU 24 H LEU 24 -24.678 12.059 10.554
179 HA LEU 24 HA LEU 24 -26.241 13.969 12.031
180 HB2 LEU 24 HB2 LEU 24 -24.415 15.521 11.143
181 HB3 LEU 24 HB3 LEU 24 -23.986 14.293 12.318
182 HG LEU 24 HG LEU 24 -23.669 13.382 9.545
183 HD11 LEU 24 HD11 LEU 24 -22.396 15.937 10.431
184 HD12 LEU 24 HD12 LEU 24 -21.434 14.789 9.468
185 HD13 LEU 24 HD13 LEU 24 -22.962 15.432 8.820
186 HD21 LEU 24 HD21 LEU 24 -21.692 13.528 11.836
187 HD22 LEU 24 HD22 LEU 24 -22.854 12.204 11.582
188 HD23 LEU 24 HD23 LEU 24 -21.586 12.518 10.374
189 H GLY 25 H GLY 25 -25.365 13.299 8.587
190 HA2 GLY 25 HA2 GLY 25 -27.464 13.630 7.181
191 HA3 GLY 25 HA3 GLY 25 -27.398 15.278 7.774
192 H GLY 26 H GLY 26 -24.847 16.118 7.680
193 HA2 GLY 26 HA2 GLY 26 -23.895 15.479 4.954
194 HA3 GLY 26 HA3 GLY 26 -24.072 17.128 5.522
195 H SER 27 H SER 27 -22.363 18.094 6.567
196 HA SER 27 HA SER 27 -20.699 16.827 8.326
197 HB2 SER 27 HB2 SER 27 -18.567 16.784 6.880
198 HB3 SER 27 HB3 SER 27 -19.707 15.475 6.645
199 HG SER 27 HG SER 27 -20.300 16.260 4.676
200 H ARG 28 H ARG 28 -19.522 18.426 9.421
201 HA ARG 28 HA ARG 28 -18.890 20.831 8.005
202 HB2 ARG 28 HB2 ARG 28 -21.126 20.631 9.969
203 HB3 ARG 28 HB3 ARG 28 -20.013 21.946 10.290
204 HG2 ARG 28 HG2 ARG 28 -21.347 21.444 7.587
205 HG3 ARG 28 HG3 ARG 28 -21.927 22.593 8.775
206 HD2 ARG 28 HD2 ARG 28 -20.265 24.122 8.311
207 HD3 ARG 28 HD3 ARG 28 -19.037 22.888 8.115
208 HE ARG 28 HE ARG 28 -20.711 22.542 5.908
209 HH11 ARG 28 HH22 ARG 28 -18.821 25.239 7.217
210 HH12 ARG 28 HH21 ARG 28 -18.562 25.972 5.669
211 HH21 ARG 28 HH11 ARG 28 -19.482 24.937 3.713
212 H ASP 29 H ASP 29 -16.778 19.679 8.583
213 HA ASP 29 HA ASP 29 -16.042 20.435 11.297
214 HB2 ASP 29 HB2 ASP 29 -16.266 17.923 10.973
215 HB3 ASP 29 HB3 ASP 29 -15.009 18.010 9.756
216 HD2 ASP 29 HD2 ASP 29 -13.954 19.963 12.549
217 H TYR 30 H TYR 30 -15.599 22.367 9.548
218 HA TYR 30 HA TYR 30 -12.856 21.971 8.555
219 HB2 TYR 30 HB2 TYR 30 -15.408 23.227 7.503
220 HB3 TYR 30 HB3 TYR 30 -13.925 24.079 7.120
221 HD1 TYR 30 HD2 TYR 30 -15.316 20.592 7.005
222 HD2 TYR 30 HD1 TYR 30 -12.828 23.534 5.148
223 HE1 TYR 30 HE2 TYR 30 -14.913 19.024 5.045
224 HE2 TYR 30 HE1 TYR 30 -12.434 21.957 3.194
225 HH TYR 30 HH TYR 30 -14.094 19.789 2.267
226 H ASN 31 H ASN 31 -11.389 23.126 9.693
227 HA ASN 31 HA ASN 31 -12.193 25.780 10.523
228 HB2 ASN 31 HB2 ASN 31 -10.608 23.971 12.399
229 HB3 ASN 31 HB3 ASN 31 -11.393 25.489 12.785
230 HD21 ASN 31 HD21 ASN 31 -13.365 25.476 13.590
231 HD22 ASN 31 HD22 ASN 31 -14.447 24.125 13.659
232 H LYS 32 H LYS 32 -10.762 26.419 8.709
233 HA LYS 32 HA LYS 32 -7.950 26.275 9.467
234 HB2 LYS 32 HB2 LYS 32 -9.171 25.070 7.045
235 HB3 LYS 32 HB3 LYS 32 -7.721 26.016 6.775
236 HG2 LYS 32 HG2 LYS 32 -6.381 24.466 7.785
237 HG3 LYS 32 HG3 LYS 32 -7.471 24.278 9.144
238 HD2 LYS 32 HD2 LYS 32 -8.940 23.059 7.159
239 HD3 LYS 32 HD3 LYS 32 -7.315 22.713 6.602
240 HE2 LYS 32 HE2 LYS 32 -7.794 22.281 9.527
241 HE3 LYS 32 HE3 LYS 32 -8.645 21.189 8.453
242 HZ1 LYS 32 HZ1 LYS 32 -5.775 21.437 8.886
243 HZ2 LYS 32 HZ2 LYS 32 -6.651 20.105 8.556
Start of MODEL 4
1 H1 ARG 1 H ARG 1 1.229 2.869 -1.062
2 HA ARG 1 HA ARG 1 -1.591 2.786 -0.385
3 HB2 ARG 1 HB2 ARG 1 -0.068 2.810 -3.020
4 HB3 ARG 1 HB3 ARG 1 -1.738 2.282 -2.971
5 HG2 ARG 1 HG2 ARG 1 -2.547 4.407 -2.381
6 HG3 ARG 1 HG3 ARG 1 -1.045 4.887 -1.616
7 HD2 ARG 1 HD2 ARG 1 -1.224 6.134 -3.691
8 HD3 ARG 1 HD3 ARG 1 0.044 4.945 -3.912
9 HE ARG 1 HE ARG 1 -1.293 3.823 -5.489
10 HH11 ARG 1 HH22 ARG 1 -3.280 6.168 -3.726
11 HH12 ARG 1 HH21 ARG 1 -4.646 5.987 -4.776
12 HH21 ARG 1 HH11 ARG 1 -4.515 4.461 -6.620
13 H ARG 2 H ARG 2 -1.647 0.818 0.834
14 HA ARG 2 HA ARG 2 -1.727 -1.495 -0.752
15 HB2 ARG 2 HB2 ARG 2 0.824 -1.039 0.005
16 HB3 ARG 2 HB3 ARG 2 0.274 -1.778 1.496
17 HG2 ARG 2 HG2 ARG 2 -0.671 -3.314 -0.810
18 HG3 ARG 2 HG3 ARG 2 1.068 -3.109 -0.884
19 HD2 ARG 2 HD2 ARG 2 1.407 -4.557 0.844
20 HD3 ARG 2 HD3 ARG 2 0.223 -3.749 1.851
21 HE ARG 2 HE ARG 2 -1.191 -5.205 -0.154
22 HH11 ARG 2 HH22 ARG 2 0.836 -5.840 2.682
23 HH12 ARG 2 HH21 ARG 2 0.097 -7.368 3.023
24 HH21 ARG 2 HH11 ARG 2 -1.667 -8.160 1.608
25 H SER 3 H SER 3 -3.862 -0.681 0.444
26 HA SER 3 HA SER 3 -4.756 -2.519 2.094
27 HB2 SER 3 HB2 SER 3 -3.031 -0.636 3.629
28 HB3 SER 3 HB3 SER 3 -4.598 -0.945 4.350
29 HG SER 3 HG SER 3 -3.084 -2.500 5.107
30 H ARG 4 H ARG 4 -4.538 0.899 1.246
31 HA ARG 4 HA ARG 4 -7.125 1.495 2.265
32 HB2 ARG 4 HB2 ARG 4 -5.010 2.990 0.692
33 HB3 ARG 4 HB3 ARG 4 -6.634 3.646 0.744
34 HG2 ARG 4 HG2 ARG 4 -6.268 4.471 2.822
35 HG3 ARG 4 HG3 ARG 4 -5.932 2.862 3.428
36 HD2 ARG 4 HD2 ARG 4 -3.779 4.311 1.867
37 HD3 ARG 4 HD3 ARG 4 -4.065 4.765 3.536
38 HE ARG 4 HE ARG 4 -2.892 2.254 2.585
39 HH11 ARG 4 HH22 ARG 4 -4.565 3.816 5.290
40 HH12 ARG 4 HH21 ARG 4 -3.978 2.689 6.465
41 HH21 ARG 4 HH11 ARG 4 -2.540 0.905 5.765
42 H LYS 5 H LYS 5 -5.712 0.193 -0.660
43 HA LYS 5 HA LYS 5 -7.856 1.007 -2.383
44 HB2 LYS 5 HB2 LYS 5 -6.652 -0.023 -4.095
45 HB3 LYS 5 HB3 LYS 5 -5.408 0.592 -3.025
46 HG2 LYS 5 HG2 LYS 5 -5.118 -1.630 -1.998
47 HG3 LYS 5 HG3 LYS 5 -6.468 -2.271 -2.914
48 HD2 LYS 5 HD2 LYS 5 -5.109 -1.503 -5.033
49 HD3 LYS 5 HD3 LYS 5 -3.742 -1.408 -3.941
50 HE2 LYS 5 HE2 LYS 5 -4.109 -3.800 -3.280
51 HE3 LYS 5 HE3 LYS 5 -5.471 -3.892 -4.379
52 HZ1 LYS 5 HZ1 LYS 5 -3.447 -4.724 -5.430
53 HZ2 LYS 5 HZ2 LYS 5 -3.938 -3.387 -6.220
54 H ASN 6 H ASN 6 -6.994 -1.780 -0.333
55 HA ASN 6 HA ASN 6 -9.466 -2.637 0.102
56 HB2 ASN 6 HB2 ASN 6 -8.763 -3.246 -2.655
57 HB3 ASN 6 HB3 ASN 6 -8.910 -4.755 -1.776
58 HD21 ASN 6 HD21 ASN 6 -10.564 -1.677 -1.195
59 HD22 ASN 6 HD22 ASN 6 -12.181 -2.229 -1.482
60 H GLY 7 H GLY 7 -8.282 -3.196 2.047
61 HA2 GLY 7 HA2 GLY 7 -6.331 -5.396 1.774
62 HA3 GLY 7 HA3 GLY 7 -6.376 -4.220 3.073
63 H ILE 8 H ILE 8 -8.624 -4.141 4.303
64 HA ILE 8 HA ILE 8 -10.280 -6.370 4.308
65 HB ILE 8 HB ILE 8 -7.916 -7.234 5.148
66 HG12 ILE 8 HG12 ILE 8 -9.727 -8.568 6.855
67 HG13 ILE 8 HG13 ILE 8 -10.674 -8.043 5.478
68 HG21 ILE 8 HG21 ILE 8 -7.768 -7.273 7.578
69 HG22 ILE 8 HG22 ILE 8 -7.736 -5.600 6.971
70 HG23 ILE 8 HG23 ILE 8 -9.221 -6.254 7.702
71 HD11 ILE 8 HD11 ILE 8 -8.005 -9.503 5.231
72 HD12 ILE 8 HD12 ILE 8 -9.592 -10.307 5.172
73 HD13 ILE 8 HD13 ILE 8 -9.145 -9.129 3.915
74 H GLY 9 H GLY 9 -8.627 -3.778 6.158
75 HA2 GLY 9 HA2 GLY 9 -10.918 -3.402 7.897
76 HA3 GLY 9 HA3 GLY 9 -9.415 -2.502 7.889
77 H TYR 10 H TYR 10 -10.037 -2.507 4.692
78 HA TYR 10 HA TYR 10 -10.933 0.158 4.655
79 HB2 TYR 10 HB2 TYR 10 -10.413 -0.151 2.373
80 HB3 TYR 10 HB3 TYR 10 -9.636 -1.597 2.989
81 HD1 TYR 10 HD2 TYR 10 -12.984 -0.438 1.751
82 HD2 TYR 10 HD1 TYR 10 -10.177 -3.653 2.041
83 HE1 TYR 10 HE2 TYR 10 -14.467 -1.875 0.268
84 HE2 TYR 10 HE1 TYR 10 -11.668 -5.080 0.556
85 HH TYR 10 HH TYR 10 -14.404 -3.717 -1.091
86 H ALA 11 H ALA 11 -12.567 -3.010 4.061
87 HA ALA 11 HA ALA 11 -14.974 -1.979 3.135
88 HB1 ALA 11 HB1 ALA 11 -14.582 -4.483 4.816
89 HB2 ALA 11 HB2 ALA 11 -15.837 -4.178 3.592
90 HB3 ALA 11 HB3 ALA 11 -14.140 -4.375 3.095
91 H ILE 12 H ILE 12 -14.080 -3.047 6.499
92 HA ILE 12 HA ILE 12 -16.458 -2.067 7.624
93 HB ILE 12 HB ILE 12 -15.331 -3.770 8.757
94 HG12 ILE 12 HG12 ILE 12 -14.957 -2.860 10.986
95 HG13 ILE 12 HG13 ILE 12 -14.769 -1.244 10.336
96 HG21 ILE 12 HG21 ILE 12 -12.957 -3.252 9.714
97 HG22 ILE 12 HG22 ILE 12 -13.143 -3.802 8.031
98 HG23 ILE 12 HG23 ILE 12 -12.884 -2.076 8.381
99 HD11 ILE 12 HD11 ILE 12 -17.112 -1.370 9.417
100 HD12 ILE 12 HD12 ILE 12 -17.292 -2.957 10.205
101 HD13 ILE 12 HD13 ILE 12 -17.046 -1.497 11.192
102 H GLY 13 H GLY 13 -13.320 -0.603 6.825
103 HA2 GLY 13 HA2 GLY 13 -13.613 1.716 8.440
104 HA3 GLY 13 HA3 GLY 13 -12.524 1.489 7.086
105 H TYR 14 H TYR 14 -14.799 0.713 5.227
106 HA TYR 14 HA TYR 14 -15.397 3.363 4.363
107 HB2 TYR 14 HB2 TYR 14 -15.079 1.672 2.676
108 HB3 TYR 14 HB3 TYR 14 -15.940 0.461 3.606
109 HD1 TYR 14 HD2 TYR 14 -16.530 3.671 1.763
110 HD2 TYR 14 HD1 TYR 14 -18.137 -0.086 3.028
111 HE1 TYR 14 HE2 TYR 14 -18.624 4.096 0.386
112 HE2 TYR 14 HE1 TYR 14 -20.226 0.351 1.648
113 HH TYR 14 HH TYR 14 -21.432 2.198 0.746
114 H ALA 15 H ALA 15 -17.282 0.616 5.778
115 HA ALA 15 HA ALA 15 -19.745 2.018 5.644
116 HB1 ALA 15 HB1 ALA 15 -18.740 -0.481 7.033
117 HB2 ALA 15 HB2 ALA 15 -20.396 0.124 7.282
118 HB3 ALA 15 HB3 ALA 15 -19.855 -0.346 5.652
119 H PHE 16 H PHE 16 -17.384 1.278 8.301
120 HA PHE 16 HA PHE 16 -18.827 2.758 10.220
121 HB2 PHE 16 HB2 PHE 16 -16.912 0.879 10.307
122 HB3 PHE 16 HB3 PHE 16 -15.813 2.240 10.193
123 HD1 PHE 16 HD2 PHE 16 -17.908 4.009 11.865
124 HD2 PHE 16 HD1 PHE 16 -15.910 0.317 12.485
125 HE1 PHE 16 HE2 PHE 16 -18.063 4.342 14.348
126 HE2 PHE 16 HE1 PHE 16 -16.064 0.650 14.968
127 HZ PHE 16 HZ PHE 16 -17.139 2.658 15.870
128 H GLY 17 H GLY 17 -15.748 3.445 8.407
129 HA2 GLY 17 HA2 GLY 17 -15.312 5.999 9.405
130 HA3 GLY 17 HA3 GLY 17 -14.754 5.384 7.862
131 H ALA 18 H ALA 18 -17.772 4.815 7.190
132 HA ALA 18 HA ALA 18 -18.164 7.253 5.795
133 HB1 ALA 18 HB1 ALA 18 -20.492 5.979 5.454
134 HB2 ALA 18 HB2 ALA 18 -19.007 5.449 4.629
135 HB3 ALA 18 HB3 ALA 18 -19.554 4.612 6.102
136 H VAL 19 H VAL 19 -19.845 5.618 8.567
137 HA VAL 19 HA VAL 19 -21.636 7.767 8.965
138 HB VAL 19 HB VAL 19 -22.075 6.596 11.117
139 HG11 VAL 19 HG11 VAL 19 -23.359 4.992 10.104
140 HG12 VAL 19 HG12 VAL 19 -22.923 5.955 8.672
141 HG13 VAL 19 HG13 VAL 19 -22.044 4.450 9.035
142 HG21 VAL 19 HG21 VAL 19 -19.661 5.770 11.327
143 HG22 VAL 19 HG22 VAL 19 -20.949 4.615 11.748
144 HG23 VAL 19 HG23 VAL 19 -20.117 4.487 10.179
145 H GLU 20 H GLU 20 -18.357 6.956 10.116
146 HA GLU 20 HA GLU 20 -18.376 8.857 12.184
147 HB2 GLU 20 HB2 GLU 20 -16.062 7.524 10.709
148 HB3 GLU 20 HB3 GLU 20 -15.882 8.478 12.168
149 HG2 GLU 20 HG2 GLU 20 -17.817 6.138 12.098
150 HG3 GLU 20 HG3 GLU 20 -16.109 5.862 12.370
151 HE2 GLU 20 HE2 GLU 20 -16.927 8.828 14.268
152 H ARG 21 H ARG 21 -17.693 8.931 8.701
153 HA ARG 21 HA ARG 21 -16.150 11.169 8.571
154 HB2 ARG 21 HB2 ARG 21 -17.785 9.571 6.764
155 HB3 ARG 21 HB3 ARG 21 -17.984 11.266 6.365
156 HG2 ARG 21 HG2 ARG 21 -15.619 11.577 6.019
157 HG3 ARG 21 HG3 ARG 21 -15.224 10.059 6.803
158 HD2 ARG 21 HD2 ARG 21 -16.964 9.275 4.741
159 HD3 ARG 21 HD3 ARG 21 -16.034 10.565 4.007
160 HE ARG 21 HE ARG 21 -15.065 7.939 4.587
161 HH11 ARG 21 HH22 ARG 21 -14.008 11.312 4.833
162 HH12 ARG 21 HH21 ARG 21 -12.325 10.924 4.701
163 HH21 ARG 21 HH11 ARG 21 -11.664 8.634 4.455
164 H ALA 22 H ALA 22 -19.764 10.851 8.584
165 HA ALA 22 HA ALA 22 -20.422 13.489 8.192
166 HB1 ALA 22 HB1 ALA 22 -22.413 12.456 8.309
167 HB2 ALA 22 HB2 ALA 22 -21.669 11.039 9.086
168 HB3 ALA 22 HB3 ALA 22 -22.243 12.398 10.080
169 H VAL 23 H VAL 23 -19.542 11.757 11.239
170 HA VAL 23 HA VAL 23 -20.064 13.826 12.994
171 HB VAL 23 HB VAL 23 -17.940 11.673 13.072
172 HG11 VAL 23 HG11 VAL 23 -18.916 13.635 15.137
173 HG12 VAL 23 HG12 VAL 23 -18.345 12.022 15.631
174 HG13 VAL 23 HG13 VAL 23 -17.255 13.124 14.755
175 HG21 VAL 23 HG21 VAL 23 -20.857 11.673 13.463
176 HG22 VAL 23 HG22 VAL 23 -19.740 10.326 13.134
177 HG23 VAL 23 HG23 VAL 23 -19.947 10.927 14.797
178 H LEU 24 H LEU 24 -17.475 13.378 10.630
179 HA LEU 24 HA LEU 24 -15.769 15.338 11.833
180 HB2 LEU 24 HB2 LEU 24 -15.621 14.259 9.025
181 HB3 LEU 24 HB3 LEU 24 -14.334 14.955 9.990
182 HG LEU 24 HG LEU 24 -15.667 12.266 10.360
183 HD11 LEU 24 HD11 LEU 24 -12.778 12.286 10.276
184 HD12 LEU 24 HD12 LEU 24 -13.943 11.419 9.248
185 HD13 LEU 24 HD13 LEU 24 -13.460 13.082 8.838
186 HD21 LEU 24 HD21 LEU 24 -14.106 13.908 12.289
187 HD22 LEU 24 HD22 LEU 24 -15.383 12.700 12.569
188 HD23 LEU 24 HD23 LEU 24 -13.725 12.172 12.194
189 H GLY 25 H GLY 25 -18.263 15.197 9.261
190 HA2 GLY 25 HA2 GLY 25 -19.604 17.146 8.918
191 HA3 GLY 25 HA3 GLY 25 -18.193 18.148 9.191
192 H GLY 26 H GLY 26 -20.222 17.097 6.808
193 HA2 GLY 26 HA2 GLY 26 -18.569 16.207 4.736
194 HA3 GLY 26 HA3 GLY 26 -20.119 17.006 4.565
195 H SER 27 H SER 27 -20.226 19.347 4.373
196 HA SER 27 HA SER 27 -17.618 20.541 3.855
197 HB2 SER 27 HB2 SER 27 -18.854 19.955 1.729
198 HB3 SER 27 HB3 SER 27 -20.150 21.024 2.225
199 HG SER 27 HG SER 27 -18.482 21.957 0.741
200 H ARG 28 H ARG 28 -18.878 23.131 3.108
201 HA ARG 28 HA ARG 28 -19.546 24.970 4.020
202 HB2 ARG 28 HB2 ARG 28 -21.252 23.103 5.736
203 HB3 ARG 28 HB3 ARG 28 -21.396 24.848 5.818
204 HG2 ARG 28 HG2 ARG 28 -23.083 24.009 4.267
205 HG3 ARG 28 HG3 ARG 28 -21.888 24.906 3.351
206 HD2 ARG 28 HD2 ARG 28 -20.978 22.975 2.369
207 HD3 ARG 28 HD3 ARG 28 -21.449 21.939 3.701
208 HE ARG 28 HE ARG 28 -23.611 21.706 2.761
209 HH11 ARG 28 HH22 ARG 28 -21.760 24.149 0.984
210 HH12 ARG 28 HH21 ARG 28 -22.885 24.226 -0.329
211 HH21 ARG 28 HH11 ARG 28 -24.841 22.842 -0.282
212 H ASP 29 H ASP 29 -19.642 26.270 6.249
213 HA ASP 29 HA ASP 29 -17.423 25.241 7.819
214 HB2 ASP 29 HB2 ASP 29 -18.558 28.069 7.598
215 HB3 ASP 29 HB3 ASP 29 -17.166 27.625 8.565
216 HD2 ASP 29 HD2 ASP 29 -16.360 29.448 6.776
217 H TYR 30 H TYR 30 -20.345 27.397 8.229
218 HA TYR 30 HA TYR 30 -20.634 26.429 10.959
219 HB2 TYR 30 HB2 TYR 30 -21.701 28.648 9.145
220 HB3 TYR 30 HB3 TYR 30 -22.585 28.272 10.610
221 HD1 TYR 30 HD1 TYR 30 -20.369 27.710 12.517
222 HD2 TYR 30 HD2 TYR 30 -20.763 30.757 9.540
223 HE1 TYR 30 HE1 TYR 30 -18.805 29.215 13.841
224 HE2 TYR 30 HE2 TYR 30 -19.198 32.253 10.873
225 HH TYR 30 HH TYR 30 -18.362 31.578 14.083
226 H ASN 31 H ASN 31 -21.556 24.380 10.911
227 HA ASN 31 HA ASN 31 -23.823 24.003 9.176
228 HB2 ASN 31 HB2 ASN 31 -23.667 21.630 9.871
229 HB3 ASN 31 HB3 ASN 31 -22.085 22.207 9.387
230 HD21 ASN 31 HD21 ASN 31 -22.170 20.017 10.877
231 HD22 ASN 31 HD22 ASN 31 -21.644 20.294 12.503
232 H LYS 32 H LYS 32 -23.007 24.895 12.437
233 HA LYS 32 HA LYS 32 -24.153 25.171 14.304
234 HB2 LYS 32 HB2 LYS 32 -26.191 25.628 12.169
235 HB3 LYS 32 HB3 LYS 32 -26.767 25.499 13.819
236 HG2 LYS 32 HG2 LYS 32 -26.252 27.730 13.926
237 HG3 LYS 32 HG3 LYS 32 -24.621 27.156 14.212
238 HD2 LYS 32 HD2 LYS 32 -23.879 27.829 12.147
239 HD3 LYS 32 HD3 LYS 32 -25.333 27.285 11.334
240 HE2 LYS 32 HE2 LYS 32 -26.460 29.311 11.675
241 HE3 LYS 32 HE3 LYS 32 -25.567 29.692 13.134
242 HZ1 LYS 32 HZ1 LYS 32 -23.608 30.144 11.746
243 HZ2 LYS 32 HZ2 LYS 32 -24.431 29.780 10.389
Start of MODEL 5
1 H1 ARG 1 H ARG 1 -2.703 -10.457 4.580
2 HA ARG 1 HA ARG 1 -3.142 -9.796 2.155
3 HB2 ARG 1 HB2 ARG 1 -5.753 -10.130 3.088
4 HB3 ARG 1 HB3 ARG 1 -5.558 -8.390 3.165
5 HG2 ARG 1 HG2 ARG 1 -5.328 -8.162 0.860
6 HG3 ARG 1 HG3 ARG 1 -4.575 -9.733 0.665
7 HD2 ARG 1 HD2 ARG 1 -6.617 -10.863 0.557
8 HD3 ARG 1 HD3 ARG 1 -7.440 -9.709 1.588
9 HE ARG 1 HE ARG 1 -6.781 -8.267 -0.726
10 HH11 ARG 1 HH22 ARG 1 -8.688 -11.163 0.004
11 HH12 ARG 1 HH21 ARG 1 -9.769 -10.939 -1.331
12 HH21 ARG 1 HH11 ARG 1 -9.467 -9.057 -2.783
13 H ARG 2 H ARG 2 -3.818 -7.131 1.936
14 HA ARG 2 HA ARG 2 -2.358 -5.949 4.161
15 HB2 ARG 2 HB2 ARG 2 -1.311 -6.009 1.746
16 HB3 ARG 2 HB3 ARG 2 -2.477 -4.758 1.360
17 HG2 ARG 2 HG2 ARG 2 -1.056 -3.229 2.239
18 HG3 ARG 2 HG3 ARG 2 -1.327 -3.936 3.819
19 HD2 ARG 2 HD2 ARG 2 0.923 -4.488 1.864
20 HD3 ARG 2 HD3 ARG 2 1.029 -4.066 3.561
21 HE ARG 2 HE ARG 2 -0.294 -6.474 3.652
22 HH11 ARG 2 HH22 ARG 2 2.690 -5.455 2.035
23 HH12 ARG 2 HH21 ARG 2 3.416 -7.025 2.116
24 HH21 ARG 2 HH11 ARG 2 2.207 -8.828 3.132
25 H SER 3 H SER 3 -5.274 -6.376 3.994
26 HA SER 3 HA SER 3 -6.182 -3.647 3.552
27 HB2 SER 3 HB2 SER 3 -8.303 -5.583 4.100
28 HB3 SER 3 HB3 SER 3 -8.099 -4.524 2.719
29 HG SER 3 HG SER 3 -8.035 -6.846 2.200
30 H ARG 4 H ARG 4 -5.377 -6.007 5.955
31 HA ARG 4 HA ARG 4 -7.214 -5.132 7.904
32 HB2 ARG 4 HB2 ARG 4 -4.662 -6.798 7.999
33 HB3 ARG 4 HB3 ARG 4 -5.548 -6.409 9.460
34 HG2 ARG 4 HG2 ARG 4 -7.642 -7.331 8.103
35 HG3 ARG 4 HG3 ARG 4 -6.425 -8.111 7.112
36 HD2 ARG 4 HD2 ARG 4 -5.417 -9.048 9.295
37 HD3 ARG 4 HD3 ARG 4 -6.851 -8.460 10.114
38 HE ARG 4 HE ARG 4 -6.712 -10.716 8.215
39 HH11 ARG 4 HH22 ARG 4 -8.813 -8.474 9.980
40 HH12 ARG 4 HH21 ARG 4 -10.214 -9.482 9.840
41 HH21 ARG 4 HH11 ARG 4 -10.044 -11.577 8.689
42 H LYS 5 H LYS 5 -4.143 -4.009 6.661
43 HA LYS 5 HA LYS 5 -3.679 -2.395 9.053
44 HB2 LYS 5 HB2 LYS 5 -1.852 -2.746 6.665
45 HB3 LYS 5 HB3 LYS 5 -1.452 -2.069 8.230
46 HG2 LYS 5 HG2 LYS 5 -2.340 -4.467 9.091
47 HG3 LYS 5 HG3 LYS 5 -1.901 -4.948 7.464
48 HD2 LYS 5 HD2 LYS 5 0.189 -3.272 8.667
49 HD3 LYS 5 HD3 LYS 5 -0.157 -4.665 9.673
50 HE2 LYS 5 HE2 LYS 5 1.552 -5.363 8.123
51 HE3 LYS 5 HE3 LYS 5 0.068 -6.128 7.590
52 HZ1 LYS 5 HZ1 LYS 5 0.081 -4.918 5.692
53 HZ2 LYS 5 HZ2 LYS 5 0.492 -3.523 6.423
54 H ASN 6 H ASN 6 -5.814 -2.128 6.778
55 HA ASN 6 HA ASN 6 -6.817 -0.506 5.749
56 HB2 ASN 6 HB2 ASN 6 -5.643 0.749 8.012
57 HB3 ASN 6 HB3 ASN 6 -5.268 1.823 6.679
58 HD21 ASN 6 HD21 ASN 6 -7.250 1.890 5.039
59 HD22 ASN 6 HD22 ASN 6 -8.763 2.328 5.762
60 H GLY 7 H GLY 7 -6.404 -0.288 3.545
61 HA2 GLY 7 HA2 GLY 7 -4.480 1.463 2.506
62 HA3 GLY 7 HA3 GLY 7 -3.818 -0.158 2.453
63 H ILE 8 H ILE 8 -5.641 2.106 0.747
64 HA ILE 8 HA ILE 8 -6.464 1.889 -1.333
65 HB ILE 8 HB ILE 8 -5.320 -0.554 -1.089
66 HG12 ILE 8 HG12 ILE 8 -5.906 -0.851 -3.492
67 HG13 ILE 8 HG13 ILE 8 -7.053 0.468 -3.358
68 HG21 ILE 8 HG21 ILE 8 -7.722 -1.249 -0.224
69 HG22 ILE 8 HG22 ILE 8 -8.068 -1.330 -1.969
70 HG23 ILE 8 HG23 ILE 8 -6.760 -2.317 -1.273
71 HD11 ILE 8 HD11 ILE 8 -4.534 0.891 -4.160
72 HD12 ILE 8 HD12 ILE 8 -5.396 2.090 -3.167
73 HD13 ILE 8 HD13 ILE 8 -4.240 0.971 -2.406
74 H GLY 9 H GLY 9 -7.757 0.877 1.663
75 HA2 GLY 9 HA2 GLY 9 -10.511 0.966 0.592
76 HA3 GLY 9 HA3 GLY 9 -10.015 0.135 2.053
77 H TYR 10 H TYR 10 -8.079 2.723 2.302
78 HA TYR 10 HA TYR 10 -9.746 4.013 4.197
79 HB2 TYR 10 HB2 TYR 10 -7.680 5.084 4.672
80 HB3 TYR 10 HB3 TYR 10 -7.078 3.694 3.791
81 HD1 TYR 10 HD2 TYR 10 -8.263 7.200 3.172
82 HD2 TYR 10 HD1 TYR 10 -5.630 4.038 2.000
83 HE1 TYR 10 HE2 TYR 10 -7.150 8.742 1.485
84 HE2 TYR 10 HE1 TYR 10 -4.525 5.591 0.318
85 HH TYR 10 HH TYR 10 -4.227 7.848 -0.119
86 H ALA 11 H ALA 11 -8.611 4.797 0.859
87 HA ALA 11 HA ALA 11 -9.525 7.398 0.746
88 HB1 ALA 11 HB1 ALA 11 -9.096 7.223 -1.530
89 HB2 ALA 11 HB2 ALA 11 -8.142 5.856 -0.905
90 HB3 ALA 11 HB3 ALA 11 -9.740 5.566 -1.632
91 H ILE 12 H ILE 12 -11.234 4.295 -0.020
92 HA ILE 12 HA ILE 12 -13.653 5.615 -0.681
93 HB ILE 12 HB ILE 12 -12.642 3.200 -1.202
94 HG12 ILE 12 HG12 ILE 12 -14.486 4.257 -2.388
95 HG13 ILE 12 HG13 ILE 12 -14.853 2.579 -2.039
96 HG21 ILE 12 HG21 ILE 12 -13.993 1.491 0.009
97 HG22 ILE 12 HG22 ILE 12 -12.780 2.309 1.022
98 HG23 ILE 12 HG23 ILE 12 -14.496 2.760 1.151
99 HD11 ILE 12 HD11 ILE 12 -15.946 5.061 -0.671
100 HD12 ILE 12 HD12 ILE 12 -16.845 3.746 -1.465
101 HD13 ILE 12 HD13 ILE 12 -16.047 3.459 0.100
102 H GLY 13 H GLY 13 -12.145 4.404 2.300
103 HA2 GLY 13 HA2 GLY 13 -14.497 4.361 3.885
104 HA3 GLY 13 HA3 GLY 13 -12.836 4.402 4.444
105 H TYR 14 H TYR 14 -12.263 6.911 2.795
106 HA TYR 14 HA TYR 14 -12.947 8.767 4.833
107 HB2 TYR 14 HB2 TYR 14 -10.878 9.094 3.641
108 HB3 TYR 14 HB3 TYR 14 -11.598 8.665 2.103
109 HD1 TYR 14 HD1 TYR 14 -11.656 11.348 4.712
110 HD2 TYR 14 HD2 TYR 14 -12.222 10.345 0.592
111 HE1 TYR 14 HE1 TYR 14 -11.917 13.812 4.141
112 HE2 TYR 14 HE2 TYR 14 -12.481 12.811 0.034
113 HH TYR 14 HH TYR 14 -11.588 15.241 2.152
114 H ALA 15 H ALA 15 -13.893 8.414 1.341
115 HA ALA 15 HA ALA 15 -15.754 10.551 1.499
116 HB1 ALA 15 HB1 ALA 15 -16.315 9.887 -0.767
117 HB2 ALA 15 HB2 ALA 15 -14.550 9.773 -0.566
118 HB3 ALA 15 HB3 ALA 15 -15.547 8.298 -0.537
119 H PHE 16 H PHE 16 -16.041 6.932 1.403
120 HA PHE 16 HA PHE 16 -18.826 6.921 1.653
121 HB2 PHE 16 HB2 PHE 16 -17.095 5.078 0.966
122 HB3 PHE 16 HB3 PHE 16 -16.778 4.870 2.676
123 HD1 PHE 16 HD1 PHE 16 -20.082 5.652 2.722
124 HD2 PHE 16 HD2 PHE 16 -17.544 2.519 1.401
125 HE1 PHE 16 HE1 PHE 16 -21.995 4.036 2.881
126 HE2 PHE 16 HE2 PHE 16 -19.458 0.902 1.559
127 HZ PHE 16 HZ PHE 16 -21.660 1.680 2.297
128 H GLY 17 H GLY 17 -16.220 6.341 4.128
129 HA2 GLY 17 HA2 GLY 17 -17.920 6.051 6.321
130 HA3 GLY 17 HA3 GLY 17 -16.235 6.532 6.366
131 H ALA 18 H ALA 18 -17.012 8.897 4.458
132 HA ALA 18 HA ALA 18 -17.401 10.771 6.564
133 HB1 ALA 18 HB1 ALA 18 -16.057 11.625 4.891
134 HB2 ALA 18 HB2 ALA 18 -16.967 10.814 3.595
135 HB3 ALA 18 HB3 ALA 18 -17.630 12.273 4.368
136 H VAL 19 H VAL 19 -19.381 9.588 3.767
137 HA VAL 19 HA VAL 19 -21.610 11.188 4.458
138 HB VAL 19 HB VAL 19 -22.774 9.719 2.822
139 HG11 VAL 19 HG11 VAL 19 -21.798 11.656 1.909
140 HG12 VAL 19 HG12 VAL 19 -20.145 11.027 2.110
141 HG13 VAL 19 HG13 VAL 19 -21.217 10.332 0.870
142 HG21 VAL 19 HG21 VAL 19 -21.687 7.953 1.686
143 HG22 VAL 19 HG22 VAL 19 -20.098 8.384 2.364
144 HG23 VAL 19 HG23 VAL 19 -21.352 7.679 3.413
145 H GLU 20 H GLU 20 -20.471 7.901 5.289
146 HA GLU 20 HA GLU 20 -22.900 7.086 6.412
147 HB2 GLU 20 HB2 GLU 20 -20.050 6.114 6.898
148 HB3 GLU 20 HB3 GLU 20 -21.485 5.285 7.468
149 HG2 GLU 20 HG2 GLU 20 -21.848 5.857 4.659
150 HG3 GLU 20 HG3 GLU 20 -20.261 5.141 4.863
151 HE2 GLU 20 HE2 GLU 20 -21.148 2.868 6.899
152 H ARG 21 H ARG 21 -20.122 8.967 7.581
153 HA ARG 21 HA ARG 21 -20.417 8.643 10.262
154 HB2 ARG 21 HB2 ARG 21 -19.142 10.539 8.450
155 HB3 ARG 21 HB3 ARG 21 -19.814 11.411 9.813
156 HG2 ARG 21 HG2 ARG 21 -18.638 9.863 11.387
157 HG3 ARG 21 HG3 ARG 21 -17.973 8.981 10.027
158 HD2 ARG 21 HD2 ARG 21 -16.503 10.841 11.157
159 HD3 ARG 21 HD3 ARG 21 -16.526 10.739 9.408
160 HE ARG 21 HE ARG 21 -17.638 12.799 9.318
161 HH11 ARG 21 HH22 ARG 21 -17.870 11.516 12.612
162 HH12 ARG 21 HH21 ARG 21 -18.567 12.962 13.260
163 HH21 ARG 21 HH11 ARG 21 -18.964 14.826 11.808
164 H ALA 22 H ALA 22 -22.183 10.805 7.982
165 HA ALA 22 HA ALA 22 -23.540 12.320 9.886
166 HB1 ALA 22 HB1 ALA 22 -23.303 12.752 7.404
167 HB2 ALA 22 HB2 ALA 22 -24.526 11.487 7.131
168 HB3 ALA 22 HB3 ALA 22 -24.953 12.958 8.039
169 H VAL 23 H VAL 23 -24.247 9.131 8.367
170 HA VAL 23 HA VAL 23 -26.825 8.889 9.466
171 HB VAL 23 HB VAL 23 -24.814 6.860 8.477
172 HG11 VAL 23 HG11 VAL 23 -27.595 6.547 9.541
173 HG12 VAL 23 HG12 VAL 23 -27.100 5.548 8.154
174 HG13 VAL 23 HG13 VAL 23 -26.187 5.466 9.680
175 HG21 VAL 23 HG21 VAL 23 -26.800 6.922 6.629
176 HG22 VAL 23 HG22 VAL 23 -26.831 8.612 7.189
177 HG23 VAL 23 HG23 VAL 23 -25.327 7.916 6.540
178 H LEU 24 H LEU 24 -23.534 8.280 10.680
179 HA LEU 24 HA LEU 24 -24.542 6.858 12.981
180 HB2 LEU 24 HB2 LEU 24 -21.745 7.810 12.351
181 HB3 LEU 24 HB3 LEU 24 -22.210 6.684 13.611
182 HG LEU 24 HG LEU 24 -22.324 6.242 10.620
183 HD11 LEU 24 HD11 LEU 24 -20.623 5.145 12.854
184 HD12 LEU 24 HD12 LEU 24 -20.827 4.275 11.314
185 HD13 LEU 24 HD13 LEU 24 -20.121 5.909 11.326
186 HD21 LEU 24 HD21 LEU 24 -23.815 4.918 12.784
187 HD22 LEU 24 HD22 LEU 24 -24.108 4.947 11.029
188 HD23 LEU 24 HD23 LEU 24 -22.921 3.811 11.715
189 H GLY 25 H GLY 25 -24.025 10.131 11.960
190 HA2 GLY 25 HA2 GLY 25 -24.474 11.022 14.735
191 HA3 GLY 25 HA3 GLY 25 -23.206 11.745 13.766
192 H GLY 26 H GLY 26 -23.796 13.684 12.910
193 HA2 GLY 26 HA2 GLY 26 -26.413 13.887 11.607
194 HA3 GLY 26 HA3 GLY 26 -26.056 15.002 12.910
195 H SER 27 H SER 27 -24.291 16.550 12.690
196 HA SER 27 HA SER 27 -22.946 16.633 10.174
197 HB2 SER 27 HB2 SER 27 -24.100 19.268 10.532
198 HB3 SER 27 HB3 SER 27 -24.175 18.217 9.131
199 HG SER 27 HG SER 27 -26.266 18.849 10.314
200 H ARG 28 H ARG 28 -20.984 17.796 10.349
201 HA ARG 28 HA ARG 28 -20.372 19.859 11.858
202 HB2 ARG 28 HB2 ARG 28 -20.731 17.486 13.603
203 HB3 ARG 28 HB3 ARG 28 -19.172 18.257 13.820
204 HG2 ARG 28 HG2 ARG 28 -21.336 20.242 13.639
205 HG3 ARG 28 HG3 ARG 28 -21.628 19.092 14.928
206 HD2 ARG 28 HD2 ARG 28 -19.116 20.788 14.546
207 HD3 ARG 28 HD3 ARG 28 -20.317 20.977 15.807
208 HE ARG 28 HE ARG 28 -19.496 18.352 16.122
209 HH11 ARG 28 HH22 ARG 28 -17.770 21.442 15.973
210 HH12 ARG 28 HH21 ARG 28 -16.474 20.910 16.989
211 HH21 ARG 28 HH11 ARG 28 -16.503 18.674 17.854
212 H ASP 29 H ASP 29 -19.072 19.745 9.836
213 HA ASP 29 HA ASP 29 -16.742 18.026 10.187
214 HB2 ASP 29 HB2 ASP 29 -18.283 18.918 7.744
215 HB3 ASP 29 HB3 ASP 29 -16.568 18.604 7.574
216 HD2 ASP 29 HD2 ASP 29 -16.745 15.262 8.060
217 H TYR 30 H TYR 30 -17.680 20.927 8.179
218 HA TYR 30 HA TYR 30 -15.131 22.160 8.855
219 HB2 TYR 30 HB2 TYR 30 -17.365 22.351 6.814
220 HB3 TYR 30 HB3 TYR 30 -16.506 23.844 7.138
221 HD1 TYR 30 HD2 TYR 30 -13.749 23.250 7.340
222 HD2 TYR 30 HD1 TYR 30 -16.662 21.334 4.861
223 HE1 TYR 30 HE2 TYR 30 -11.919 22.541 5.725
224 HE2 TYR 30 HE1 TYR 30 -14.821 20.631 3.254
225 HH TYR 30 HH TYR 30 -11.680 20.571 4.030
226 H ASN 31 H ASN 31 -15.541 24.813 8.795
227 HA ASN 31 HA ASN 31 -17.805 25.727 10.087
228 HB2 ASN 31 HB2 ASN 31 -16.705 26.256 12.351
229 HB3 ASN 31 HB3 ASN 31 -17.116 24.571 12.101
230 HD21 ASN 31 HD21 ASN 31 -14.926 26.330 13.494
231 HD22 ASN 31 HD22 ASN 31 -13.457 25.463 13.199
232 H LYS 32 H LYS 32 -16.131 26.490 7.898
233 HA LYS 32 HA LYS 32 -15.280 28.336 7.020
234 HB2 LYS 32 HB2 LYS 32 -16.721 29.354 9.094
235 HB3 LYS 32 HB3 LYS 32 -15.120 29.931 9.512
236 HG2 LYS 32 HG2 LYS 32 -16.266 30.246 6.705
237 HG3 LYS 32 HG3 LYS 32 -16.545 31.437 7.960
238 HD2 LYS 32 HD2 LYS 32 -13.829 31.158 8.186
239 HD3 LYS 32 HD3 LYS 32 -14.023 30.788 6.484
240 HE2 LYS 32 HE2 LYS 32 -14.728 32.937 5.946
241 HE3 LYS 32 HE3 LYS 32 -15.532 33.179 7.484
242 HZ1 LYS 32 HZ1 LYS 32 -12.624 33.362 6.955
243 HZ2 LYS 32 HZ2 LYS 32 -13.603 34.535 7.520
Start of MODEL 6
1 H1 ARG 1 H ARG 1 2.484 -5.213 1.091
2 HA ARG 1 HA ARG 1 1.081 -6.955 1.641
3 HB2 ARG 1 HB2 ARG 1 3.637 -7.058 2.350
4 HB3 ARG 1 HB3 ARG 1 3.011 -7.015 3.987
5 HG2 ARG 1 HG2 ARG 1 2.449 -9.210 3.888
6 HG3 ARG 1 HG3 ARG 1 1.469 -8.940 2.462
7 HD2 ARG 1 HD2 ARG 1 3.316 -9.323 0.974
8 HD3 ARG 1 HD3 ARG 1 4.499 -9.128 2.251
9 HE ARG 1 HE ARG 1 2.759 -11.302 2.938
10 HH11 ARG 1 HH22 ARG 1 5.335 -10.506 0.638
11 HH12 ARG 1 HH21 ARG 1 5.851 -12.149 0.457
12 HH21 ARG 1 HH11 ARG 1 4.724 -13.875 1.679
13 H ARG 2 H ARG 2 0.545 -4.235 3.324
14 HA ARG 2 HA ARG 2 -1.015 -5.642 5.339
15 HB2 ARG 2 HB2 ARG 2 -0.739 -3.237 6.538
16 HB3 ARG 2 HB3 ARG 2 0.435 -4.518 6.766
17 HG2 ARG 2 HG2 ARG 2 1.691 -2.535 6.217
18 HG3 ARG 2 HG3 ARG 2 1.750 -3.562 4.800
19 HD2 ARG 2 HD2 ARG 2 0.447 -2.131 3.530
20 HD3 ARG 2 HD3 ARG 2 -0.560 -1.666 4.886
21 HE ARG 2 HE ARG 2 1.908 -0.357 4.016
22 HH11 ARG 2 HH22 ARG 2 -0.258 -0.871 6.774
23 HH12 ARG 2 HH21 ARG 2 0.245 0.568 7.595
24 HH21 ARG 2 HH11 ARG 2 1.909 1.972 6.593
25 H SER 3 H SER 3 -1.840 -4.961 2.628
26 HA SER 3 HA SER 3 -3.247 -2.514 2.708
27 HB2 SER 3 HB2 SER 3 -3.143 -4.880 0.824
28 HB3 SER 3 HB3 SER 3 -4.388 -3.666 0.613
29 HG SER 3 HG SER 3 -1.693 -3.545 -0.009
30 H ARG 4 H ARG 4 -3.780 -5.680 3.985
31 HA ARG 4 HA ARG 4 -6.614 -5.567 3.783
32 HB2 ARG 4 HB2 ARG 4 -4.625 -7.421 5.147
33 HB3 ARG 4 HB3 ARG 4 -6.338 -7.571 5.488
34 HG2 ARG 4 HG2 ARG 4 -6.809 -7.866 3.055
35 HG3 ARG 4 HG3 ARG 4 -5.104 -7.682 2.694
36 HD2 ARG 4 HD2 ARG 4 -5.406 -10.038 2.748
37 HD3 ARG 4 HD3 ARG 4 -4.711 -9.682 4.317
38 HE ARG 4 HE ARG 4 -7.498 -10.500 3.773
39 HH11 ARG 4 HH22 ARG 4 -5.204 -9.221 6.150
40 HH12 ARG 4 HH21 ARG 4 -6.181 -9.660 7.513
41 HH21 ARG 4 HH11 ARG 4 -8.283 -10.751 7.146
42 H LYS 5 H LYS 5 -4.269 -4.041 5.713
43 HA LYS 5 HA LYS 5 -5.939 -4.012 8.101
44 HB2 LYS 5 HB2 LYS 5 -3.199 -4.133 7.731
45 HB3 LYS 5 HB3 LYS 5 -3.456 -2.446 8.127
46 HG2 LYS 5 HG2 LYS 5 -4.711 -3.079 10.168
47 HG3 LYS 5 HG3 LYS 5 -4.573 -4.776 9.757
48 HD2 LYS 5 HD2 LYS 5 -2.104 -3.027 10.091
49 HD3 LYS 5 HD3 LYS 5 -2.870 -3.794 11.469
50 HE2 LYS 5 HE2 LYS 5 -1.899 -5.786 10.974
51 HE3 LYS 5 HE3 LYS 5 -2.570 -5.763 9.355
52 HZ1 LYS 5 HZ1 LYS 5 -0.599 -3.990 9.075
53 HZ2 LYS 5 HZ2 LYS 5 0.071 -4.915 10.235
54 H ASN 6 H ASN 6 -5.242 -2.206 5.205
55 HA ASN 6 HA ASN 6 -7.263 -0.485 5.459
56 HB2 ASN 6 HB2 ASN 6 -5.142 0.294 7.280
57 HB3 ASN 6 HB3 ASN 6 -5.237 1.502 6.013
58 HD21 ASN 6 HD21 ASN 6 -7.787 -0.562 7.358
59 HD22 ASN 6 HD22 ASN 6 -8.801 0.700 7.974
60 H GLY 7 H GLY 7 -7.426 0.354 3.358
61 HA2 GLY 7 HA2 GLY 7 -5.790 1.778 1.856
62 HA3 GLY 7 HA3 GLY 7 -5.058 0.198 1.655
63 H ILE 8 H ILE 8 -7.215 2.325 0.273
64 HA ILE 8 HA ILE 8 -8.422 2.012 -1.596
65 HB ILE 8 HB ILE 8 -7.238 -0.421 -1.462
66 HG12 ILE 8 HG12 ILE 8 -8.233 -0.823 -3.692
67 HG13 ILE 8 HG13 ILE 8 -9.395 0.457 -3.405
68 HG21 ILE 8 HG21 ILE 8 -8.676 -2.187 -1.281
69 HG22 ILE 8 HG22 ILE 8 -9.425 -1.066 -0.118
70 HG23 ILE 8 HG23 ILE 8 -10.099 -1.228 -1.757
71 HD11 ILE 8 HD11 ILE 8 -6.527 1.187 -2.958
72 HD12 ILE 8 HD12 ILE 8 -7.010 0.872 -4.642
73 HD13 ILE 8 HD13 ILE 8 -7.840 2.133 -3.701
74 H GLY 9 H GLY 9 -9.107 1.146 1.637
75 HA2 GLY 9 HA2 GLY 9 -12.016 1.176 1.117
76 HA3 GLY 9 HA3 GLY 9 -11.235 0.443 2.504
77 H TYR 10 H TYR 10 -9.319 3.034 2.232
78 HA TYR 10 HA TYR 10 -10.624 4.447 4.314
79 HB2 TYR 10 HB2 TYR 10 -8.514 5.540 4.336
80 HB3 TYR 10 HB3 TYR 10 -8.071 4.094 3.453
81 HD1 TYR 10 HD2 TYR 10 -9.376 7.557 2.833
82 HD2 TYR 10 HD1 TYR 10 -6.976 4.314 1.410
83 HE1 TYR 10 HE2 TYR 10 -8.598 8.981 0.876
84 HE2 TYR 10 HE1 TYR 10 -6.207 5.750 -0.542
85 HH TYR 10 HH TYR 10 -7.361 7.842 -1.801
86 H ALA 11 H ALA 11 -10.118 5.018 0.784
87 HA ALA 11 HA ALA 11 -11.058 7.610 0.676
88 HB1 ALA 11 HB1 ALA 11 -11.678 6.896 -1.725
89 HB2 ALA 11 HB2 ALA 11 -9.981 6.699 -1.229
90 HB3 ALA 11 HB3 ALA 11 -11.065 5.287 -1.273
91 H ILE 12 H ILE 12 -12.855 4.471 0.426
92 HA ILE 12 HA ILE 12 -15.364 5.756 0.136
93 HB ILE 12 HB ILE 12 -14.444 3.308 -0.405
94 HG12 ILE 12 HG12 ILE 12 -16.480 4.293 -1.302
95 HG13 ILE 12 HG13 ILE 12 -16.767 2.644 -0.786
96 HG21 ILE 12 HG21 ILE 12 -15.542 1.686 1.136
97 HG22 ILE 12 HG22 ILE 12 -14.171 2.563 1.860
98 HG23 ILE 12 HG23 ILE 12 -15.841 3.028 2.268
99 HD11 ILE 12 HD11 ILE 12 -17.560 3.666 1.471
100 HD12 ILE 12 HD12 ILE 12 -17.611 5.215 0.595
101 HD13 ILE 12 HD13 ILE 12 -18.630 3.856 0.061
102 H GLY 13 H GLY 13 -13.331 4.730 2.865
103 HA2 GLY 13 HA2 GLY 13 -15.355 4.800 4.850
104 HA3 GLY 13 HA3 GLY 13 -13.622 4.867 5.094
105 H TYR 14 H TYR 14 -13.373 7.264 3.214
106 HA TYR 14 HA TYR 14 -13.690 9.249 5.220
107 HB2 TYR 14 HB2 TYR 14 -11.872 9.490 3.658
108 HB3 TYR 14 HB3 TYR 14 -12.854 8.967 2.303
109 HD1 TYR 14 HD2 TYR 14 -12.197 11.821 4.592
110 HD2 TYR 14 HD1 TYR 14 -14.014 10.540 0.937
111 HE1 TYR 14 HE2 TYR 14 -12.575 14.245 3.922
112 HE2 TYR 14 HE1 TYR 14 -14.386 12.967 0.278
113 HH TYR 14 HH TYR 14 -14.642 15.252 1.902
114 H ALA 15 H ALA 15 -15.247 8.679 1.985
115 HA ALA 15 HA ALA 15 -17.063 10.832 2.338
116 HB1 ALA 15 HB1 ALA 15 -18.065 8.999 0.424
117 HB2 ALA 15 HB2 ALA 15 -17.123 10.479 0.120
118 HB3 ALA 15 HB3 ALA 15 -16.291 8.916 0.305
119 H PHE 16 H PHE 16 -17.341 7.216 2.529
120 HA PHE 16 HA PHE 16 -20.035 7.237 3.278
121 HB2 PHE 16 HB2 PHE 16 -18.446 5.344 2.407
122 HB3 PHE 16 HB3 PHE 16 -17.824 5.244 4.042
123 HD1 PHE 16 HD2 PHE 16 -21.070 6.047 4.634
124 HD2 PHE 16 HD1 PHE 16 -18.795 2.820 3.077
125 HE1 PHE 16 HE2 PHE 16 -22.914 4.454 5.238
126 HE2 PHE 16 HE1 PHE 16 -20.638 1.229 3.681
127 HZ PHE 16 HZ PHE 16 -22.676 2.065 4.754
128 H GLY 17 H GLY 17 -17.021 6.801 5.271
129 HA2 GLY 17 HA2 GLY 17 -18.293 6.660 7.750
130 HA3 GLY 17 HA3 GLY 17 -16.632 7.134 7.458
131 H ALA 18 H ALA 18 -17.757 9.377 5.576
132 HA ALA 18 HA ALA 18 -17.768 11.383 7.594
133 HB1 ALA 18 HB1 ALA 18 -16.757 12.123 5.655
134 HB2 ALA 18 HB2 ALA 18 -17.881 11.234 4.599
135 HB3 ALA 18 HB3 ALA 18 -18.404 12.742 5.385
136 H VAL 19 H VAL 19 -20.216 10.088 5.248
137 HA VAL 19 HA VAL 19 -22.292 11.726 6.209
138 HB VAL 19 HB VAL 19 -23.728 10.159 4.945
139 HG11 VAL 19 HG11 VAL 19 -22.752 12.006 3.754
140 HG12 VAL 19 HG12 VAL 19 -21.206 11.142 3.573
141 HG13 VAL 19 HG13 VAL 19 -22.654 10.566 2.712
142 HG21 VAL 19 HG21 VAL 19 -21.208 8.667 4.186
143 HG22 VAL 19 HG22 VAL 19 -22.272 8.131 5.508
144 HG23 VAL 19 HG23 VAL 19 -22.902 8.236 3.847
145 H GLU 20 H GLU 20 -21.004 8.516 7.125
146 HA GLU 20 HA GLU 20 -23.185 7.836 8.739
147 HB2 GLU 20 HB2 GLU 20 -20.286 6.890 8.815
148 HB3 GLU 20 HB3 GLU 20 -21.600 6.125 9.686
149 HG2 GLU 20 HG2 GLU 20 -22.299 6.510 6.861
150 HG3 GLU 20 HG3 GLU 20 -20.803 5.610 7.018
151 HE2 GLU 20 HE2 GLU 20 -21.065 3.435 8.030
152 H ARG 21 H ARG 21 -20.270 9.811 9.204
153 HA ARG 21 HA ARG 21 -20.068 9.743 11.912
154 HB2 ARG 21 HB2 ARG 21 -19.116 11.396 9.737
155 HB3 ARG 21 HB3 ARG 21 -19.626 12.462 11.033
156 HG2 ARG 21 HG2 ARG 21 -18.110 11.485 12.602
157 HG3 ARG 21 HG3 ARG 21 -17.887 10.044 11.629
158 HD2 ARG 21 HD2 ARG 21 -17.125 12.328 10.026
159 HD3 ARG 21 HD3 ARG 21 -16.341 12.478 11.586
160 HE ARG 21 HE ARG 21 -16.086 9.767 10.668
161 HH11 ARG 21 HH22 ARG 21 -14.844 13.012 9.973
162 HH12 ARG 21 HH21 ARG 21 -13.345 12.435 9.328
163 HH21 ARG 21 HH11 ARG 21 -12.932 10.075 9.246
164 H ALA 22 H ALA 22 -22.320 11.572 9.800
165 HA ALA 22 HA ALA 22 -23.328 13.247 11.846
166 HB1 ALA 22 HB1 ALA 22 -25.231 13.470 10.101
167 HB2 ALA 22 HB2 ALA 22 -23.598 13.993 9.621
168 HB3 ALA 22 HB3 ALA 22 -24.226 12.420 9.073
169 H VAL 23 H VAL 23 -24.245 10.040 10.485
170 HA VAL 23 HA VAL 23 -26.682 9.785 11.786
171 HB VAL 23 HB VAL 23 -24.619 7.784 10.864
172 HG11 VAL 23 HG11 VAL 23 -25.756 6.484 12.413
173 HG12 VAL 23 HG12 VAL 23 -27.293 7.350 12.173
174 HG13 VAL 23 HG13 VAL 23 -26.709 6.212 10.935
175 HG21 VAL 23 HG21 VAL 23 -25.650 7.810 8.847
176 HG22 VAL 23 HG22 VAL 23 -27.269 8.026 9.554
177 HG23 VAL 23 HG23 VAL 23 -26.184 9.425 9.374
178 H LEU 24 H LEU 24 -23.437 9.872 13.029
179 HA LEU 24 HA LEU 24 -24.361 8.656 15.533
180 HB2 LEU 24 HB2 LEU 24 -21.522 9.173 14.650
181 HB3 LEU 24 HB3 LEU 24 -22.051 8.270 16.055
182 HG LEU 24 HG LEU 24 -22.479 7.466 13.164
183 HD11 LEU 24 HD11 LEU 24 -20.214 7.113 13.571
184 HD12 LEU 24 HD12 LEU 24 -20.488 6.628 15.262
185 HD13 LEU 24 HD13 LEU 24 -20.952 5.535 13.936
186 HD21 LEU 24 HD21 LEU 24 -22.972 5.232 14.656
187 HD22 LEU 24 HD22 LEU 24 -23.676 6.510 15.676
188 HD23 LEU 24 HD23 LEU 24 -24.216 6.317 13.991
189 H GLY 25 H GLY 25 -23.433 11.611 13.910
190 HA2 GLY 25 HA2 GLY 25 -24.040 13.684 14.860
191 HA3 GLY 25 HA3 GLY 25 -23.745 13.042 16.464
192 H GLY 26 H GLY 26 -22.347 14.592 13.649
193 HA2 GLY 26 HA2 GLY 26 -19.961 15.231 15.143
194 HA3 GLY 26 HA3 GLY 26 -19.681 14.168 13.779
195 H SER 27 H SER 27 -19.477 15.047 11.744
196 HA SER 27 HA SER 27 -20.901 17.226 10.860
197 HB2 SER 27 HB2 SER 27 -18.751 18.786 10.699
198 HB3 SER 27 HB3 SER 27 -19.791 18.832 12.108
199 HG SER 27 HG SER 27 -18.226 18.010 13.333
200 H ARG 28 H ARG 28 -20.460 17.617 8.598
201 HA ARG 28 HA ARG 28 -18.129 16.411 7.485
202 HB2 ARG 28 HB2 ARG 28 -19.825 15.196 5.771
203 HB3 ARG 28 HB3 ARG 28 -19.260 14.396 7.224
204 HG2 ARG 28 HG2 ARG 28 -21.699 14.168 7.068
205 HG3 ARG 28 HG3 ARG 28 -21.299 15.171 8.448
206 HD2 ARG 28 HD2 ARG 28 -23.139 16.233 7.245
207 HD3 ARG 28 HD3 ARG 28 -21.710 17.226 7.038
208 HE ARG 28 HE ARG 28 -21.552 15.604 4.843
209 HH11 ARG 28 HH22 ARG 28 -24.249 17.479 6.171
210 HH12 ARG 28 HH21 ARG 28 -25.000 17.724 4.629
211 HH21 ARG 28 HH11 ARG 28 -23.978 16.802 2.667
212 H ASP 29 H ASP 29 -18.507 16.553 4.831
213 HA ASP 29 HA ASP 29 -18.908 17.792 3.087
214 HB2 ASP 29 HB2 ASP 29 -21.287 17.986 4.150
215 HB3 ASP 29 HB3 ASP 29 -20.783 19.574 4.694
216 HD2 ASP 29 HD2 ASP 29 -22.858 18.957 2.785
217 H TYR 30 H TYR 30 -16.909 18.869 2.860
218 HA TYR 30 HA TYR 30 -15.300 20.382 3.141
219 HB2 TYR 30 HB2 TYR 30 -17.981 21.814 3.161
220 HB3 TYR 30 HB3 TYR 30 -16.575 22.792 3.530
221 HD1 TYR 30 HD1 TYR 30 -17.314 20.086 1.021
222 HD2 TYR 30 HD2 TYR 30 -15.885 24.058 1.721
223 HE1 TYR 30 HE1 TYR 30 -16.848 20.365 -1.463
224 HE2 TYR 30 HE2 TYR 30 -15.425 24.322 -0.764
225 HH TYR 30 HH TYR 30 -16.045 23.444 -2.811
226 H ASN 31 H ASN 31 -16.136 18.993 5.607
227 HA ASN 31 HA ASN 31 -15.937 19.099 7.769
228 HB2 ASN 31 HB2 ASN 31 -13.573 19.750 6.979
229 HB3 ASN 31 HB3 ASN 31 -14.002 21.422 7.284
230 HD21 ASN 31 HD21 ASN 31 -12.524 21.732 8.884
231 HD22 ASN 31 HD22 ASN 31 -12.623 21.022 10.460
232 H LYS 32 H LYS 32 -18.258 20.152 7.554
233 HA LYS 32 HA LYS 32 -18.271 22.961 8.310
234 HB2 LYS 32 HB2 LYS 32 -19.766 22.361 6.530
235 HB3 LYS 32 HB3 LYS 32 -20.442 21.033 7.453
236 HG2 LYS 32 HG2 LYS 32 -20.595 23.598 8.908
237 HG3 LYS 32 HG3 LYS 32 -21.431 23.657 7.369
238 HD2 LYS 32 HD2 LYS 32 -21.870 21.250 9.140
239 HD3 LYS 32 HD3 LYS 32 -22.648 22.756 9.583
240 HE2 LYS 32 HE2 LYS 32 -23.144 22.573 6.826
241 HE3 LYS 32 HE3 LYS 32 -23.271 20.910 7.363
242 HZ1 LYS 32 HZ1 LYS 32 -25.346 22.394 7.542
243 HZ2 LYS 32 HZ2 LYS 32 -24.999 21.462 8.831
Start of MODEL 7
1 H1 ARG 1 H ARG 1 -1.311 -3.051 -2.950
2 HA ARG 1 HA ARG 1 -4.010 -2.067 -3.422
3 HB2 ARG 1 HB2 ARG 1 -2.461 -3.620 -5.118
4 HB3 ARG 1 HB3 ARG 1 -3.354 -4.858 -4.256
5 HG2 ARG 1 HG2 ARG 1 -5.128 -4.449 -5.606
6 HG3 ARG 1 HG3 ARG 1 -5.284 -2.870 -4.860
7 HD2 ARG 1 HD2 ARG 1 -5.089 -2.573 -7.282
8 HD3 ARG 1 HD3 ARG 1 -3.639 -1.941 -6.526
9 HE ARG 1 HE ARG 1 -2.394 -3.602 -7.599
10 HH11 ARG 1 HH22 ARG 1 -5.798 -4.583 -7.582
11 HH12 ARG 1 HH21 ARG 1 -5.533 -5.969 -8.587
12 HH21 ARG 1 HH11 ARG 1 -3.317 -6.449 -9.363
13 H ARG 2 H ARG 2 -4.890 -2.190 -1.325
14 HA ARG 2 HA ARG 2 -4.575 -4.765 -0.012
15 HB2 ARG 2 HB2 ARG 2 -5.463 -2.122 1.245
16 HB3 ARG 2 HB3 ARG 2 -5.063 -3.597 2.102
17 HG2 ARG 2 HG2 ARG 2 -2.842 -3.119 2.067
18 HG3 ARG 2 HG3 ARG 2 -2.861 -2.836 0.338
19 HD2 ARG 2 HD2 ARG 2 -2.216 -0.739 1.303
20 HD3 ARG 2 HD3 ARG 2 -3.893 -0.528 0.843
21 HE ARG 2 HE ARG 2 -3.885 -1.505 3.509
22 HH11 ARG 2 HH22 ARG 2 -2.842 1.395 1.761
23 HH12 ARG 2 HH21 ARG 2 -3.041 2.441 3.126
24 HH21 ARG 2 HH11 ARG 2 -3.809 1.526 5.204
25 H SER 3 H SER 3 -6.424 -4.587 -2.139
26 HA SER 3 HA SER 3 -8.976 -4.158 -0.833
27 HB2 SER 3 HB2 SER 3 -8.458 -4.765 -3.773
28 HB3 SER 3 HB3 SER 3 -9.941 -4.151 -3.069
29 HG SER 3 HG SER 3 -8.250 -2.349 -2.291
30 H ARG 4 H ARG 4 -6.715 -6.619 -1.627
31 HA ARG 4 HA ARG 4 -8.722 -8.629 -2.004
32 HB2 ARG 4 HB2 ARG 4 -5.686 -8.580 -2.028
33 HB3 ARG 4 HB3 ARG 4 -6.518 -10.118 -1.913
34 HG2 ARG 4 HG2 ARG 4 -7.931 -9.058 -3.972
35 HG3 ARG 4 HG3 ARG 4 -6.441 -8.163 -4.198
36 HD2 ARG 4 HD2 ARG 4 -5.284 -10.015 -4.909
37 HD3 ARG 4 HD3 ARG 4 -5.994 -11.051 -3.686
38 HE ARG 4 HE ARG 4 -7.565 -11.747 -5.261
39 HH11 ARG 4 HH22 ARG 4 -6.304 -8.595 -6.276
40 HH12 ARG 4 HH21 ARG 4 -7.179 -8.588 -7.771
41 HH21 ARG 4 HH11 ARG 4 -8.592 -10.446 -8.313
42 H LYS 5 H LYS 5 -6.898 -7.132 0.564
43 HA LYS 5 HA LYS 5 -7.198 -9.431 2.319
44 HB2 LYS 5 HB2 LYS 5 -5.070 -8.102 2.213
45 HB3 LYS 5 HB3 LYS 5 -5.936 -6.732 2.877
46 HG2 LYS 5 HG2 LYS 5 -5.211 -7.633 4.873
47 HG3 LYS 5 HG3 LYS 5 -6.680 -8.575 4.713
48 HD2 LYS 5 HD2 LYS 5 -5.506 -10.492 3.882
49 HD3 LYS 5 HD3 LYS 5 -4.070 -9.560 3.506
50 HE2 LYS 5 HE2 LYS 5 -3.846 -9.094 6.027
51 HE3 LYS 5 HE3 LYS 5 -5.122 -10.268 6.282
52 HZ1 LYS 5 HZ1 LYS 5 -2.372 -10.732 5.528
53 HZ2 LYS 5 HZ2 LYS 5 -3.407 -11.729 6.293
54 H ASN 6 H ASN 6 -7.947 -5.873 2.493
55 HA ASN 6 HA ASN 6 -9.622 -4.792 3.344
56 HB2 ASN 6 HB2 ASN 6 -10.842 -7.037 2.081
57 HB3 ASN 6 HB3 ASN 6 -11.633 -6.915 3.640
58 HD21 ASN 6 HD21 ASN 6 -11.917 -4.426 4.261
59 HD22 ASN 6 HD22 ASN 6 -12.769 -3.491 3.078
60 H GLY 7 H GLY 7 -9.450 -4.233 5.519
61 HA2 GLY 7 HA2 GLY 7 -10.631 -5.412 7.631
62 HA3 GLY 7 HA3 GLY 7 -9.118 -6.289 7.528
63 H ILE 8 H ILE 8 -7.689 -3.883 6.321
64 HA ILE 8 HA ILE 8 -7.507 -2.326 8.807
65 HB ILE 8 HB ILE 8 -5.594 -3.932 7.925
66 HG12 ILE 8 HG12 ILE 8 -3.954 -2.184 8.953
67 HG13 ILE 8 HG13 ILE 8 -5.397 -1.237 9.253
68 HG21 ILE 8 HG21 ILE 8 -4.747 -1.357 6.608
69 HG22 ILE 8 HG22 ILE 8 -4.029 -2.980 6.475
70 HG23 ILE 8 HG23 ILE 8 -5.597 -2.635 5.706
71 HD11 ILE 8 HD11 ILE 8 -4.481 -3.070 11.013
72 HD12 ILE 8 HD12 ILE 8 -6.217 -2.711 10.837
73 HD13 ILE 8 HD13 ILE 8 -5.515 -4.133 10.029
74 H GLY 9 H GLY 9 -7.607 -2.343 5.233
75 HA2 GLY 9 HA2 GLY 9 -7.173 0.425 4.864
76 HA3 GLY 9 HA3 GLY 9 -7.915 -0.691 3.736
77 H TYR 10 H TYR 10 -10.015 -1.543 5.756
78 HA TYR 10 HA TYR 10 -11.940 0.419 5.060
79 HB2 TYR 10 HB2 TYR 10 -13.356 -1.292 5.868
80 HB3 TYR 10 HB3 TYR 10 -11.897 -2.245 5.690
81 HD1 TYR 10 HD2 TYR 10 -13.638 -0.089 8.219
82 HD2 TYR 10 HD1 TYR 10 -11.127 -3.480 7.510
83 HE1 TYR 10 HE2 TYR 10 -13.705 -0.664 10.694
84 HE2 TYR 10 HE1 TYR 10 -11.203 -4.044 9.988
85 HH TYR 10 HH TYR 10 -13.378 -3.087 11.987
86 H ALA 11 H ALA 11 -10.005 -0.317 7.985
87 HA ALA 11 HA ALA 11 -11.474 1.182 9.804
88 HB1 ALA 11 HB1 ALA 11 -8.583 1.272 10.236
89 HB2 ALA 11 HB2 ALA 11 -9.848 0.447 11.180
90 HB3 ALA 11 HB3 ALA 11 -9.133 -0.354 9.762
91 H ILE 12 H ILE 12 -8.844 2.095 7.507
92 HA ILE 12 HA ILE 12 -8.730 4.774 8.432
93 HB ILE 12 HB ILE 12 -7.072 3.205 7.043
94 HG12 ILE 12 HG12 ILE 12 -6.333 5.178 8.149
95 HG13 ILE 12 HG13 ILE 12 -5.810 5.294 6.480
96 HG21 ILE 12 HG21 ILE 12 -8.795 3.516 5.073
97 HG22 ILE 12 HG22 ILE 12 -7.918 5.047 4.843
98 HG23 ILE 12 HG23 ILE 12 -7.041 3.500 4.772
99 HD11 ILE 12 HD11 ILE 12 -6.768 7.442 7.263
100 HD12 ILE 12 HD12 ILE 12 -7.754 6.753 5.952
101 HD13 ILE 12 HD13 ILE 12 -8.303 6.625 7.639
102 H GLY 13 H GLY 13 -10.665 2.970 6.062
103 HA2 GLY 13 HA2 GLY 13 -11.623 5.212 4.614
104 HA3 GLY 13 HA3 GLY 13 -12.318 3.605 4.669
105 H TYR 14 H TYR 14 -12.474 3.696 7.721
106 HA TYR 14 HA TYR 14 -15.092 4.785 7.852
107 HB2 TYR 14 HB2 TYR 14 -14.570 2.881 9.237
108 HB3 TYR 14 HB3 TYR 14 -12.987 3.507 9.649
109 HD1 TYR 14 HD2 TYR 14 -16.467 4.888 9.995
110 HD2 TYR 14 HD1 TYR 14 -12.803 3.830 11.935
111 HE1 TYR 14 HE2 TYR 14 -17.378 5.755 12.205
112 HE2 TYR 14 HE1 TYR 14 -13.727 4.700 14.138
113 HH TYR 14 HH TYR 14 -15.867 6.696 14.529
114 H ALA 15 H ALA 15 -11.928 5.675 9.404
115 HA ALA 15 HA ALA 15 -13.026 8.005 10.595
116 HB1 ALA 15 HB1 ALA 15 -10.753 6.441 10.898
117 HB2 ALA 15 HB2 ALA 15 -10.112 7.939 10.180
118 HB3 ALA 15 HB3 ALA 15 -11.048 8.007 11.693
119 H PHE 16 H PHE 16 -10.858 7.386 7.749
120 HA PHE 16 HA PHE 16 -10.689 10.075 7.004
121 HB2 PHE 16 HB2 PHE 16 -9.314 7.953 6.323
122 HB3 PHE 16 HB3 PHE 16 -10.629 7.564 5.233
123 HD1 PHE 16 HD1 PHE 16 -10.675 10.957 5.120
124 HD2 PHE 16 HD2 PHE 16 -8.160 7.742 3.962
125 HE1 PHE 16 HE1 PHE 16 -9.638 12.405 3.351
126 HE2 PHE 16 HE2 PHE 16 -7.122 9.189 2.194
127 HZ PHE 16 HZ PHE 16 -7.873 11.503 1.909
128 H GLY 17 H GLY 17 -12.717 7.366 5.663
129 HA2 GLY 17 HA2 GLY 17 -14.114 8.904 3.800
130 HA3 GLY 17 HA3 GLY 17 -14.643 7.391 4.508
131 H ALA 18 H ALA 18 -14.330 8.760 7.312
132 HA ALA 18 HA ALA 18 -17.054 9.567 7.477
133 HB1 ALA 18 HB1 ALA 18 -16.091 10.198 9.886
134 HB2 ALA 18 HB2 ALA 18 -16.353 8.504 9.404
135 HB3 ALA 18 HB3 ALA 18 -14.720 9.208 9.329
136 H VAL 19 H VAL 19 -13.855 11.249 7.845
137 HA VAL 19 HA VAL 19 -15.021 13.786 8.211
138 HB VAL 19 HB VAL 19 -12.715 14.582 7.757
139 HG11 VAL 19 HG11 VAL 19 -12.604 14.218 9.961
140 HG12 VAL 19 HG12 VAL 19 -13.576 12.732 9.835
141 HG13 VAL 19 HG13 VAL 19 -11.815 12.668 9.584
142 HG21 VAL 19 HG21 VAL 19 -10.929 13.107 7.226
143 HG22 VAL 19 HG22 VAL 19 -11.954 11.667 7.440
144 HG23 VAL 19 HG23 VAL 19 -12.225 12.754 6.057
145 H GLU 20 H GLU 20 -13.935 11.907 5.353
146 HA GLU 20 HA GLU 20 -14.122 14.046 3.572
147 HB2 GLU 20 HB2 GLU 20 -14.363 11.049 3.055
148 HB3 GLU 20 HB3 GLU 20 -14.093 12.262 1.820
149 HG2 GLU 20 HG2 GLU 20 -12.140 12.692 3.897
150 HG3 GLU 20 HG3 GLU 20 -12.148 10.979 3.530
151 HE2 GLU 20 HE2 GLU 20 -11.724 10.917 0.512
152 H ARG 21 H ARG 21 -16.483 11.788 4.962
153 HA ARG 21 HA ARG 21 -18.452 11.957 3.090
154 HB2 ARG 21 HB2 ARG 21 -18.186 11.133 5.863
155 HB3 ARG 21 HB3 ARG 21 -19.692 12.014 5.690
156 HG2 ARG 21 HG2 ARG 21 -20.560 10.494 4.093
157 HG3 ARG 21 HG3 ARG 21 -18.973 9.906 3.636
158 HD2 ARG 21 HD2 ARG 21 -19.647 8.124 4.967
159 HD3 ARG 21 HD3 ARG 21 -18.894 9.112 6.202
160 HE ARG 21 HE ARG 21 -21.011 9.577 7.114
161 HH11 ARG 21 HH22 ARG 21 -21.409 8.123 3.907
162 HH12 ARG 21 HH21 ARG 21 -23.121 7.920 4.075
163 HH21 ARG 21 HH11 ARG 21 -24.193 8.624 6.100
164 H ALA 22 H ALA 22 -17.526 14.225 5.719
165 HA ALA 22 HA ALA 22 -19.806 15.873 5.501
166 HB1 ALA 22 HB1 ALA 22 -17.356 15.703 7.025
167 HB2 ALA 22 HB2 ALA 22 -17.581 17.370 6.444
168 HB3 ALA 22 HB3 ALA 22 -18.855 16.584 7.407
169 H VAL 23 H VAL 23 -16.544 15.842 3.970
170 HA VAL 23 HA VAL 23 -16.740 18.317 2.715
171 HB VAL 23 HB VAL 23 -15.284 15.791 1.908
172 HG11 VAL 23 HG11 VAL 23 -15.299 17.161 -0.020
173 HG12 VAL 23 HG12 VAL 23 -15.060 18.647 0.930
174 HG13 VAL 23 HG13 VAL 23 -13.732 17.473 0.765
175 HG21 VAL 23 HG21 VAL 23 -14.656 16.502 4.138
176 HG22 VAL 23 HG22 VAL 23 -13.337 16.887 3.007
177 HG23 VAL 23 HG23 VAL 23 -14.422 18.175 3.580
178 H LEU 24 H LEU 24 -18.379 15.280 2.146
179 HA LEU 24 HA LEU 24 -19.087 16.067 -0.564
180 HB2 LEU 24 HB2 LEU 24 -19.741 13.577 1.016
181 HB3 LEU 24 HB3 LEU 24 -20.143 13.858 -0.666
182 HG LEU 24 HG LEU 24 -17.362 13.593 0.507
183 HD11 LEU 24 HD11 LEU 24 -17.849 11.416 0.306
184 HD12 LEU 24 HD12 LEU 24 -19.253 11.720 -0.747
185 HD13 LEU 24 HD13 LEU 24 -17.613 11.687 -1.437
186 HD21 LEU 24 HD21 LEU 24 -17.057 15.149 -1.204
187 HD22 LEU 24 HD22 LEU 24 -16.716 13.587 -1.987
188 HD23 LEU 24 HD23 LEU 24 -18.283 14.390 -2.249
189 H GLY 25 H GLY 25 -20.338 15.957 2.750
190 HA2 GLY 25 HA2 GLY 25 -22.080 17.659 3.125
191 HA3 GLY 25 HA3 GLY 25 -22.916 16.999 1.734
192 H GLY 26 H GLY 26 -22.524 16.831 5.141
193 HA2 GLY 26 HA2 GLY 26 -24.027 14.282 5.214
194 HA3 GLY 26 HA3 GLY 26 -22.785 14.697 6.379
195 H SER 27 H SER 27 -23.166 16.353 7.974
196 HA SER 27 HA SER 27 -25.434 17.934 7.972
197 HB2 SER 27 HB2 SER 27 -27.067 16.745 9.009
198 HB3 SER 27 HB3 SER 27 -26.148 15.326 8.548
199 HG SER 27 HG SER 27 -26.526 16.470 11.073
200 H ARG 28 H ARG 28 -25.377 19.417 9.767
201 HA ARG 28 HA ARG 28 -23.564 18.819 11.895
202 HB2 ARG 28 HB2 ARG 28 -22.560 21.289 11.371
203 HB3 ARG 28 HB3 ARG 28 -21.826 19.826 10.741
204 HG2 ARG 28 HG2 ARG 28 -22.097 21.416 8.905
205 HG3 ARG 28 HG3 ARG 28 -23.181 20.065 8.639
206 HD2 ARG 28 HD2 ARG 28 -24.451 22.082 8.207
207 HD3 ARG 28 HD3 ARG 28 -25.042 21.425 9.719
208 HE ARG 28 HE ARG 28 -22.933 23.213 10.365
209 HH11 ARG 28 HH22 ARG 28 -26.176 23.362 8.946
210 HH12 ARG 28 HH21 ARG 28 -26.473 24.980 9.486
211 HH21 ARG 28 HH11 ARG 28 -24.782 26.129 10.737
212 H ASP 29 H ASP 29 -26.144 18.971 12.391
213 HA ASP 29 HA ASP 29 -26.640 21.748 13.131
214 HB2 ASP 29 HB2 ASP 29 -28.870 19.731 13.058
215 HB3 ASP 29 HB3 ASP 29 -28.923 21.449 12.717
216 HD2 ASP 29 HD2 ASP 29 -27.437 21.849 10.633
217 H TYR 30 H TYR 30 -25.042 19.747 14.633
218 HA TYR 30 HA TYR 30 -26.845 19.252 16.906
219 HB2 TYR 30 HB2 TYR 30 -24.353 17.899 15.727
220 HB3 TYR 30 HB3 TYR 30 -24.856 17.550 17.368
221 HD1 TYR 30 HD1 TYR 30 -26.478 17.764 13.980
222 HD2 TYR 30 HD2 TYR 30 -26.068 15.601 17.648
223 HE1 TYR 30 HE1 TYR 30 -28.078 15.984 13.119
224 HE2 TYR 30 HE2 TYR 30 -27.670 13.830 16.776
225 HH TYR 30 HH TYR 30 -29.644 13.925 14.968
226 H ASN 31 H ASN 31 -26.075 21.788 16.945
227 HA ASN 31 HA ASN 31 -24.988 23.320 18.028
228 HB2 ASN 31 HB2 ASN 31 -23.942 21.138 19.899
229 HB3 ASN 31 HB3 ASN 31 -24.181 22.829 20.290
230 HD21 ASN 31 HD21 ASN 31 -26.575 23.482 19.369
231 HD22 ASN 31 HD22 ASN 31 -27.847 22.549 20.087
232 H LYS 32 H LYS 32 -23.594 21.678 15.889
233 HA LYS 32 HA LYS 32 -20.947 22.682 16.367
234 HB2 LYS 32 HB2 LYS 32 -21.373 20.131 17.267
235 HB3 LYS 32 HB3 LYS 32 -20.848 19.825 15.623
236 HG2 LYS 32 HG2 LYS 32 -19.082 21.827 16.495
237 HG3 LYS 32 HG3 LYS 32 -19.301 20.839 17.925
238 HD2 LYS 32 HD2 LYS 32 -18.973 18.845 16.114
239 HD3 LYS 32 HD3 LYS 32 -18.090 20.103 15.273
240 HE2 LYS 32 HE2 LYS 32 -16.801 20.511 17.463
241 HE3 LYS 32 HE3 LYS 32 -17.560 19.064 18.094
242 HZ1 LYS 32 HZ1 LYS 32 -16.500 18.456 15.564
243 HZ2 LYS 32 HZ2 LYS 32 -15.328 19.208 16.409
Start of MODEL 8
1 H1 ARG 1 H ARG 1 2.207 4.813 3.570
2 HA ARG 1 HA ARG 1 1.049 4.533 1.684
3 HB2 ARG 1 HB2 ARG 1 2.737 2.443 2.374
4 HB3 ARG 1 HB3 ARG 1 1.270 1.571 1.971
5 HG2 ARG 1 HG2 ARG 1 1.327 2.207 -0.268
6 HG3 ARG 1 HG3 ARG 1 2.091 3.747 0.072
7 HD2 ARG 1 HD2 ARG 1 4.265 2.728 0.349
8 HD3 ARG 1 HD3 ARG 1 3.584 1.117 0.443
9 HE ARG 1 HE ARG 1 3.377 1.064 -1.908
10 HH11 ARG 1 HH22 ARG 1 4.215 4.339 -0.847
11 HH12 ARG 1 HH21 ARG 1 4.557 4.904 -2.449
12 HH21 ARG 1 HH11 ARG 1 4.322 3.399 -4.299
13 H ARG 2 H ARG 2 -0.646 2.955 0.448
14 HA ARG 2 HA ARG 2 -2.665 2.103 2.331
15 HB2 ARG 2 HB2 ARG 2 -2.924 4.313 0.301
16 HB3 ARG 2 HB3 ARG 2 -4.299 3.240 0.471
17 HG2 ARG 2 HG2 ARG 2 -4.896 4.640 2.182
18 HG3 ARG 2 HG3 ARG 2 -3.740 3.713 3.116
19 HD2 ARG 2 HD2 ARG 2 -1.940 5.367 2.481
20 HD3 ARG 2 HD3 ARG 2 -3.139 6.311 1.617
21 HE ARG 2 HE ARG 2 -3.973 5.796 4.353
22 HH11 ARG 2 HH22 ARG 2 -1.892 7.875 2.379
23 HH12 ARG 2 HH21 ARG 2 -1.906 9.180 3.518
24 HH21 ARG 2 HH11 ARG 2 -3.147 8.948 5.555
25 H SER 3 H SER 3 -0.870 0.488 0.839
26 HA SER 3 HA SER 3 -2.581 -0.465 -1.322
27 HB2 SER 3 HB2 SER 3 -0.030 0.293 -1.619
28 HB3 SER 3 HB3 SER 3 0.295 -1.326 -1.035
29 HG SER 3 HG SER 3 -1.457 -0.729 -3.264
30 H ARG 4 H ARG 4 -1.152 -1.125 1.804
31 HA ARG 4 HA ARG 4 -1.532 -3.955 1.520
32 HB2 ARG 4 HB2 ARG 4 -0.252 -2.115 3.515
33 HB3 ARG 4 HB3 ARG 4 -0.920 -3.596 4.173
34 HG2 ARG 4 HG2 ARG 4 0.391 -4.574 1.950
35 HG3 ARG 4 HG3 ARG 4 1.416 -3.212 2.355
36 HD2 ARG 4 HD2 ARG 4 0.709 -5.600 4.105
37 HD3 ARG 4 HD3 ARG 4 2.301 -5.077 3.590
38 HE ARG 4 HE ARG 4 0.761 -4.018 5.838
39 HH11 ARG 4 HH22 ARG 4 3.318 -3.264 3.503
40 HH12 ARG 4 HH21 ARG 4 4.042 -2.048 4.502
41 HH21 ARG 4 HH11 ARG 4 3.084 -1.566 6.646
42 H LYS 5 H LYS 5 -3.221 -1.102 2.641
43 HA LYS 5 HA LYS 5 -5.040 -2.692 4.274
44 HB2 LYS 5 HB2 LYS 5 -4.474 0.251 3.988
45 HB3 LYS 5 HB3 LYS 5 -5.993 -0.290 4.672
46 HG2 LYS 5 HG2 LYS 5 -4.271 -1.896 6.067
47 HG3 LYS 5 HG3 LYS 5 -3.219 -0.525 5.778
48 HD2 LYS 5 HD2 LYS 5 -4.692 0.994 6.911
49 HD3 LYS 5 HD3 LYS 5 -6.039 -0.126 6.846
50 HE2 LYS 5 HE2 LYS 5 -3.505 -0.889 8.335
51 HE3 LYS 5 HE3 LYS 5 -4.692 0.149 9.101
52 HZ1 LYS 5 HZ1 LYS 5 -5.440 -1.956 9.673
53 HZ2 LYS 5 HZ2 LYS 5 -6.333 -1.716 8.332
54 H ASN 6 H ASN 6 -4.750 -2.860 1.246
55 HA ASN 6 HA ASN 6 -7.375 -1.847 0.527
56 HB2 ASN 6 HB2 ASN 6 -4.831 -2.392 -0.935
57 HB3 ASN 6 HB3 ASN 6 -6.266 -2.910 -1.799
58 HD21 ASN 6 HD21 ASN 6 -8.162 -1.201 -1.391
59 HD22 ASN 6 HD22 ASN 6 -7.756 0.427 -1.824
60 H GLY 7 H GLY 7 -8.505 -3.626 1.689
61 HA2 GLY 7 HA2 GLY 7 -9.442 -5.696 0.286
62 HA3 GLY 7 HA3 GLY 7 -7.935 -6.360 0.887
63 H ILE 8 H ILE 8 -7.852 -4.889 3.421
64 HA ILE 8 HA ILE 8 -10.131 -6.180 4.756
65 HB ILE 8 HB ILE 8 -7.619 -6.987 5.006
66 HG12 ILE 8 HG12 ILE 8 -8.453 -7.340 7.592
67 HG13 ILE 8 HG13 ILE 8 -9.970 -6.981 6.792
68 HG21 ILE 8 HG21 ILE 8 -6.357 -5.979 6.668
69 HG22 ILE 8 HG22 ILE 8 -7.035 -4.586 5.793
70 HG23 ILE 8 HG23 ILE 8 -7.748 -5.097 7.342
71 HD11 ILE 8 HD11 ILE 8 -9.926 -9.233 6.328
72 HD12 ILE 8 HD12 ILE 8 -8.908 -8.707 4.965
73 HD13 ILE 8 HD13 ILE 8 -8.153 -9.327 6.453
74 H GLY 9 H GLY 9 -7.986 -3.332 4.478
75 HA2 GLY 9 HA2 GLY 9 -9.084 -1.890 6.656
76 HA3 GLY 9 HA3 GLY 9 -8.143 -1.250 5.324
77 H TYR 10 H TYR 10 -10.065 -2.435 3.274
78 HA TYR 10 HA TYR 10 -11.763 -0.171 3.102
79 HB2 TYR 10 HB2 TYR 10 -12.040 -1.083 0.945
80 HB3 TYR 10 HB3 TYR 10 -10.646 -2.037 1.414
81 HD1 TYR 10 HD1 TYR 10 -14.391 -2.122 1.629
82 HD2 TYR 10 HD2 TYR 10 -10.763 -4.355 1.238
83 HE1 TYR 10 HE1 TYR 10 -15.733 -4.256 1.297
84 HE2 TYR 10 HE2 TYR 10 -12.117 -6.482 0.907
85 HH TYR 10 HH TYR 10 -14.272 -7.150 0.204
86 H ALA 11 H ALA 11 -12.112 -3.510 4.311
87 HA ALA 11 HA ALA 11 -14.897 -3.644 4.257
88 HB1 ALA 11 HB1 ALA 11 -13.007 -5.420 4.736
89 HB2 ALA 11 HB2 ALA 11 -13.242 -4.924 6.428
90 HB3 ALA 11 HB3 ALA 11 -14.605 -5.595 5.501
91 H ILE 12 H ILE 12 -12.580 -2.468 6.779
92 HA ILE 12 HA ILE 12 -14.692 -1.780 8.565
93 HB ILE 12 HB ILE 12 -12.184 -2.401 8.982
94 HG12 ILE 12 HG12 ILE 12 -13.977 -1.944 10.668
95 HG13 ILE 12 HG13 ILE 12 -12.358 -1.512 11.182
96 HG21 ILE 12 HG21 ILE 12 -11.110 -0.664 7.750
97 HG22 ILE 12 HG22 ILE 12 -12.056 0.596 8.577
98 HG23 ILE 12 HG23 ILE 12 -10.840 -0.341 9.479
99 HD11 ILE 12 HD11 ILE 12 -12.923 0.673 11.419
100 HD12 ILE 12 HD12 ILE 12 -13.652 0.727 9.796
101 HD13 ILE 12 HD13 ILE 12 -14.614 0.167 11.185
102 H GLY 13 H GLY 13 -12.615 -0.046 6.185
103 HA2 GLY 13 HA2 GLY 13 -13.455 2.554 6.785
104 HA3 GLY 13 HA3 GLY 13 -12.804 1.992 5.258
105 H TYR 14 H TYR 14 -15.008 -0.108 5.001
106 HA TYR 14 HA TYR 14 -16.795 1.481 3.511
107 HB2 TYR 14 HB2 TYR 14 -16.482 -0.810 2.853
108 HB3 TYR 14 HB3 TYR 14 -16.476 -1.376 4.512
109 HD1 TYR 14 HD1 TYR 14 -18.825 0.233 2.062
110 HD2 TYR 14 HD2 TYR 14 -18.330 -2.547 5.276
111 HE1 TYR 14 HE1 TYR 14 -21.258 -0.469 1.838
112 HE2 TYR 14 HE2 TYR 14 -20.766 -3.240 5.041
113 HH TYR 14 HH TYR 14 -23.000 -1.485 3.540
114 H ALA 15 H ALA 15 -17.124 -0.294 6.662
115 HA ALA 15 HA ALA 15 -19.791 0.596 7.045
116 HB1 ALA 15 HB1 ALA 15 -18.087 -1.331 8.123
117 HB2 ALA 15 HB2 ALA 15 -18.299 -0.166 9.453
118 HB3 ALA 15 HB3 ALA 15 -19.721 -0.932 8.705
119 H PHE 16 H PHE 16 -16.575 1.539 8.442
120 HA PHE 16 HA PHE 16 -17.506 3.525 10.108
121 HB2 PHE 16 HB2 PHE 16 -15.099 2.387 9.376
122 HB3 PHE 16 HB3 PHE 16 -14.957 3.910 8.522
123 HD1 PHE 16 HD2 PHE 16 -16.249 5.776 10.410
124 HD2 PHE 16 HD1 PHE 16 -13.594 2.548 11.138
125 HE1 PHE 16 HE2 PHE 16 -15.476 6.888 12.523
126 HE2 PHE 16 HE1 PHE 16 -12.820 3.660 13.250
127 HZ PHE 16 HZ PHE 16 -13.771 5.817 13.918
128 H GLY 17 H GLY 17 -16.234 3.848 6.714
129 HA2 GLY 17 HA2 GLY 17 -16.740 6.608 6.503
130 HA3 GLY 17 HA3 GLY 17 -16.491 5.479 5.187
131 H ALA 18 H ALA 18 -18.823 3.753 6.272
132 HA ALA 18 HA ALA 18 -20.825 5.004 4.683
133 HB1 ALA 18 HB1 ALA 18 -22.163 2.985 5.632
134 HB2 ALA 18 HB2 ALA 18 -20.758 2.650 4.591
135 HB3 ALA 18 HB3 ALA 18 -20.614 2.490 6.358
136 H VAL 19 H VAL 19 -20.295 4.422 8.211
137 HA VAL 19 HA VAL 19 -22.760 5.653 8.928
138 HB VAL 19 HB VAL 19 -21.858 5.467 11.210
139 HG11 VAL 19 HG11 VAL 19 -22.873 3.520 9.778
140 HG12 VAL 19 HG12 VAL 19 -21.220 2.860 9.853
141 HG13 VAL 19 HG13 VAL 19 -22.125 3.169 11.355
142 HG21 VAL 19 HG21 VAL 19 -19.694 4.649 11.704
143 HG22 VAL 19 HG22 VAL 19 -19.387 4.196 10.011
144 HG23 VAL 19 HG23 VAL 19 -19.453 5.913 10.476
145 H GLU 20 H GLU 20 -19.381 6.688 8.436
146 HA GLU 20 HA GLU 20 -19.693 9.154 9.728
147 HB2 GLU 20 HB2 GLU 20 -17.712 8.216 7.609
148 HB3 GLU 20 HB3 GLU 20 -17.578 9.746 8.451
149 HG2 GLU 20 HG2 GLU 20 -17.919 7.273 10.136
150 HG3 GLU 20 HG3 GLU 20 -16.372 7.496 9.343
151 HE2 GLU 20 HE2 GLU 20 -15.066 9.445 10.335
152 H ARG 21 H ARG 21 -20.404 7.935 6.466
153 HA ARG 21 HA ARG 21 -20.449 10.268 5.079
154 HB2 ARG 21 HB2 ARG 21 -21.380 7.579 4.728
155 HB3 ARG 21 HB3 ARG 21 -22.730 8.618 4.314
156 HG2 ARG 21 HG2 ARG 21 -21.554 9.684 2.560
157 HG3 ARG 21 HG3 ARG 21 -19.984 9.282 3.227
158 HD2 ARG 21 HD2 ARG 21 -20.602 7.919 1.183
159 HD3 ARG 21 HD3 ARG 21 -20.207 6.946 2.586
160 HE ARG 21 HE ARG 21 -22.939 7.259 2.824
161 HH11 ARG 21 HH22 ARG 21 -20.856 6.148 0.181
162 HH12 ARG 21 HH21 ARG 21 -22.060 5.102 -0.494
163 HH21 ARG 21 HH11 ARG 21 -24.212 4.960 0.552
164 H ALA 22 H ALA 22 -22.826 8.903 7.383
165 HA ALA 22 HA ALA 22 -24.905 10.722 6.736
166 HB1 ALA 22 HB1 ALA 22 -24.909 9.611 9.454
167 HB2 ALA 22 HB2 ALA 22 -26.077 9.388 8.130
168 HB3 ALA 22 HB3 ALA 22 -24.614 8.376 8.207
169 H VAL 23 H VAL 23 -21.998 10.794 8.751
170 HA VAL 23 HA VAL 23 -22.894 13.026 10.310
171 HB VAL 23 HB VAL 23 -20.375 11.432 10.011
172 HG11 VAL 23 HG11 VAL 23 -20.634 14.183 11.201
173 HG12 VAL 23 HG12 VAL 23 -19.506 13.005 11.912
174 HG13 VAL 23 HG13 VAL 23 -19.327 13.493 10.209
175 HG21 VAL 23 HG21 VAL 23 -22.625 11.431 11.755
176 HG22 VAL 23 HG22 VAL 23 -21.183 10.389 11.807
177 HG23 VAL 23 HG23 VAL 23 -21.207 11.923 12.711
178 H LEU 24 H LEU 24 -20.972 12.436 7.347
179 HA LEU 24 HA LEU 24 -20.326 15.258 7.173
180 HB2 LEU 24 HB2 LEU 24 -19.681 13.070 5.204
181 HB3 LEU 24 HB3 LEU 24 -18.936 14.650 5.341
182 HG LEU 24 HG LEU 24 -18.656 12.303 7.228
183 HD11 LEU 24 HD11 LEU 24 -16.155 13.347 6.513
184 HD12 LEU 24 HD12 LEU 24 -16.907 11.838 5.942
185 HD13 LEU 24 HD13 LEU 24 -17.113 13.342 5.013
186 HD21 LEU 24 HD21 LEU 24 -18.926 14.447 8.485
187 HD22 LEU 24 HD22 LEU 24 -17.351 13.650 8.715
188 HD23 LEU 24 HD23 LEU 24 -17.484 15.064 7.642
189 H GLY 25 H GLY 25 -23.144 13.862 6.944
190 HA2 GLY 25 HA2 GLY 25 -24.141 13.996 4.392
191 HA3 GLY 25 HA3 GLY 25 -25.045 14.360 5.849
192 H GLY 26 H GLY 26 -23.367 16.664 6.673
193 HA2 GLY 26 HA2 GLY 26 -22.779 18.661 5.083
194 HA3 GLY 26 HA3 GLY 26 -24.512 18.628 4.827
195 H SER 27 H SER 27 -21.952 19.719 6.866
196 HA SER 27 HA SER 27 -23.792 21.154 8.447
197 HB2 SER 27 HB2 SER 27 -22.650 20.153 10.637
198 HB3 SER 27 HB3 SER 27 -24.073 19.407 9.940
199 HG SER 27 HG SER 27 -22.937 17.658 9.420
200 H ARG 28 H ARG 28 -22.765 22.991 9.351
201 HA ARG 28 HA ARG 28 -19.897 22.962 9.464
202 HB2 ARG 28 HB2 ARG 28 -19.579 24.884 8.015
203 HB3 ARG 28 HB3 ARG 28 -20.535 23.722 7.116
204 HG2 ARG 28 HG2 ARG 28 -21.870 25.563 6.734
205 HG3 ARG 28 HG3 ARG 28 -22.569 25.092 8.270
206 HD2 ARG 28 HD2 ARG 28 -20.638 26.619 9.294
207 HD3 ARG 28 HD3 ARG 28 -20.607 27.327 7.691
208 HE ARG 28 HE ARG 28 -23.309 27.104 8.809
209 HH11 ARG 28 HH22 ARG 28 -20.418 29.143 8.606
210 HH12 ARG 28 HH21 ARG 28 -21.272 30.604 8.974
211 HH21 ARG 28 HH11 ARG 28 -23.633 30.516 9.376
212 H ASP 29 H ASP 29 -19.226 24.132 11.263
213 HA ASP 29 HA ASP 29 -20.825 26.347 12.123
214 HB2 ASP 29 HB2 ASP 29 -20.381 23.854 13.825
215 HB3 ASP 29 HB3 ASP 29 -20.830 25.399 14.521
216 HD2 ASP 29 HD2 ASP 29 -23.683 23.096 13.545
217 H TYR 30 H TYR 30 -18.242 26.319 11.008
218 HA TYR 30 HA TYR 30 -16.669 27.253 13.247
219 HB2 TYR 30 HB2 TYR 30 -16.038 24.890 11.388
220 HB3 TYR 30 HB3 TYR 30 -14.742 25.764 12.181
221 HD1 TYR 30 HD1 TYR 30 -16.005 26.265 14.864
222 HD2 TYR 30 HD2 TYR 30 -15.942 22.768 12.400
223 HE1 TYR 30 HE1 TYR 30 -16.283 24.800 16.924
224 HE2 TYR 30 HE2 TYR 30 -16.221 21.315 14.467
225 HH TYR 30 HH TYR 30 -16.595 21.280 16.602
226 H ASN 31 H ASN 31 -16.210 29.284 12.540
227 HA ASN 31 HA ASN 31 -15.044 29.448 9.887
228 HB2 ASN 31 HB2 ASN 31 -17.558 30.251 10.077
229 HB3 ASN 31 HB3 ASN 31 -16.896 31.630 10.933
230 HD21 ASN 31 HD21 ASN 31 -16.947 29.843 7.921
231 HD22 ASN 31 HD22 ASN 31 -16.355 31.096 6.883
232 H LYS 32 H LYS 32 -12.949 29.679 10.933
233 HA LYS 32 HA LYS 32 -11.260 30.872 11.729
234 HB2 LYS 32 HB2 LYS 32 -12.855 32.828 10.719
235 HB3 LYS 32 HB3 LYS 32 -12.794 33.320 12.400
236 HG2 LYS 32 HG2 LYS 32 -10.397 32.795 10.580
237 HG3 LYS 32 HG3 LYS 32 -10.935 34.357 11.163
238 HD2 LYS 32 HD2 LYS 32 -10.317 33.850 13.432
239 HD3 LYS 32 HD3 LYS 32 -10.173 32.136 13.098
240 HE2 LYS 32 HE2 LYS 32 -8.102 32.370 12.014
241 HE3 LYS 32 HE3 LYS 32 -8.414 34.027 11.536
242 HZ1 LYS 32 HZ1 LYS 32 -7.674 33.066 14.239
243 HZ2 LYS 32 HZ2 LYS 32 -6.869 34.135 13.311
Start of MODEL 9
1 H1 ARG 1 H ARG 1 -0.193 -7.953 6.205
2 HA ARG 1 HA ARG 1 1.606 -7.042 5.050
3 HB2 ARG 1 HB2 ARG 1 1.475 -8.548 2.833
4 HB3 ARG 1 HB3 ARG 1 1.638 -9.288 4.413
5 HG2 ARG 1 HG2 ARG 1 -0.511 -10.127 4.401
6 HG3 ARG 1 HG3 ARG 1 -1.174 -8.720 3.594
7 HD2 ARG 1 HD2 ARG 1 0.676 -10.480 1.993
8 HD3 ARG 1 HD3 ARG 1 -0.922 -11.107 2.346
9 HE ARG 1 HE ARG 1 -0.918 -8.350 1.321
10 HH11 ARG 1 HH22 ARG 1 -1.074 -11.784 0.462
11 HH12 ARG 1 HH21 ARG 1 -1.824 -11.493 -1.072
12 HH21 ARG 1 HH11 ARG 1 -2.303 -9.241 -1.737
13 H ARG 2 H ARG 2 0.551 -4.759 4.747
14 HA ARG 2 HA ARG 2 0.108 -3.049 3.507
15 HB2 ARG 2 HB2 ARG 2 1.469 -4.782 1.399
16 HB3 ARG 2 HB3 ARG 2 0.936 -3.155 1.029
17 HG2 ARG 2 HG2 ARG 2 2.374 -2.207 2.762
18 HG3 ARG 2 HG3 ARG 2 2.768 -3.798 3.383
19 HD2 ARG 2 HD2 ARG 2 3.944 -4.376 1.288
20 HD3 ARG 2 HD3 ARG 2 3.452 -2.863 0.555
21 HE ARG 2 HE ARG 2 4.857 -2.386 3.044
22 HH11 ARG 2 HH22 ARG 2 5.391 -3.221 -0.357
23 HH12 ARG 2 HH21 ARG 2 6.997 -2.573 -0.393
24 HH21 ARG 2 HH11 ARG 2 7.908 -1.584 1.591
25 H SER 3 H SER 3 -2.228 -3.350 3.740
26 HA SER 3 HA SER 3 -3.715 -3.066 1.592
27 HB2 SER 3 HB2 SER 3 -2.960 -5.923 1.827
28 HB3 SER 3 HB3 SER 3 -4.687 -5.669 1.674
29 HG SER 3 HG SER 3 -3.498 -5.890 -0.393
30 H ARG 4 H ARG 4 -3.271 -4.564 4.755
31 HA ARG 4 HA ARG 4 -6.065 -4.545 5.327
32 HB2 ARG 4 HB2 ARG 4 -3.650 -5.678 6.490
33 HB3 ARG 4 HB3 ARG 4 -4.515 -4.800 7.735
34 HG2 ARG 4 HG2 ARG 4 -6.317 -6.246 7.708
35 HG3 ARG 4 HG3 ARG 4 -6.228 -6.500 5.976
36 HD2 ARG 4 HD2 ARG 4 -4.694 -8.247 6.160
37 HD3 ARG 4 HD3 ARG 4 -3.951 -7.593 7.605
38 HE ARG 4 HE ARG 4 -5.451 -8.838 8.888
39 HH11 ARG 4 HH22 ARG 4 -6.815 -8.454 5.640
40 HH12 ARG 4 HH21 ARG 4 -8.172 -9.484 5.953
41 HH21 ARG 4 HH11 ARG 4 -8.402 -10.498 8.113
42 H LYS 5 H LYS 5 -3.491 -2.272 5.289
43 HA LYS 5 HA LYS 5 -4.480 -0.716 7.517
44 HB2 LYS 5 HB2 LYS 5 -2.245 -0.194 5.534
45 HB3 LYS 5 HB3 LYS 5 -2.618 0.803 6.925
46 HG2 LYS 5 HG2 LYS 5 -2.372 -1.390 8.327
47 HG3 LYS 5 HG3 LYS 5 -1.617 -2.069 6.900
48 HD2 LYS 5 HD2 LYS 5 -0.389 0.473 7.266
49 HD3 LYS 5 HD3 LYS 5 -0.499 -0.222 8.870
50 HE2 LYS 5 HE2 LYS 5 0.577 -1.808 6.499
51 HE3 LYS 5 HE3 LYS 5 1.615 -0.796 7.484
52 HZ1 LYS 5 HZ1 LYS 5 0.575 -3.369 8.101
53 HZ2 LYS 5 HZ2 LYS 5 1.726 -2.530 8.892
54 H ASN 6 H ASN 6 -4.138 -0.374 3.918
55 HA ASN 6 HA ASN 6 -6.643 0.953 3.850
56 HB2 ASN 6 HB2 ASN 6 -5.388 2.942 4.398
57 HB3 ASN 6 HB3 ASN 6 -4.045 2.477 3.372
58 HD21 ASN 6 HD21 ASN 6 -4.413 2.361 1.052
59 HD22 ASN 6 HD22 ASN 6 -5.510 3.467 0.294
60 H GLY 7 H GLY 7 -7.519 0.033 1.991
61 HA2 GLY 7 HA2 GLY 7 -6.671 0.280 -0.557
62 HA3 GLY 7 HA3 GLY 7 -5.777 -1.124 -0.007
63 H ILE 8 H ILE 8 -8.839 0.089 -1.112
64 HA ILE 8 HA ILE 8 -10.553 -1.122 -1.915
65 HB ILE 8 HB ILE 8 -8.786 -3.135 -1.502
66 HG12 ILE 8 HG12 ILE 8 -10.707 -4.596 -2.481
67 HG13 ILE 8 HG13 ILE 8 -11.635 -3.109 -2.482
68 HG21 ILE 8 HG21 ILE 8 -9.978 -3.281 0.856
69 HG22 ILE 8 HG22 ILE 8 -11.176 -4.214 -0.071
70 HG23 ILE 8 HG23 ILE 8 -9.476 -4.740 -0.031
71 HD11 ILE 8 HD11 ILE 8 -10.293 -3.683 -4.628
72 HD12 ILE 8 HD12 ILE 8 -10.143 -2.026 -3.994
73 HD13 ILE 8 HD13 ILE 8 -8.850 -3.213 -3.696
74 H GLY 9 H GLY 9 -9.614 -0.511 1.316
75 HA2 GLY 9 HA2 GLY 9 -12.388 -0.898 2.264
76 HA3 GLY 9 HA3 GLY 9 -10.958 -0.962 3.275
77 H TYR 10 H TYR 10 -10.010 1.402 1.271
78 HA TYR 10 HA TYR 10 -10.621 3.463 3.118
79 HB2 TYR 10 HB2 TYR 10 -9.022 4.584 1.768
80 HB3 TYR 10 HB3 TYR 10 -8.663 2.931 1.307
81 HD1 TYR 10 HD2 TYR 10 -10.891 5.780 0.302
82 HD2 TYR 10 HD1 TYR 10 -8.618 2.380 -0.955
83 HE1 TYR 10 HE2 TYR 10 -11.376 6.345 -2.129
84 HE2 TYR 10 HE1 TYR 10 -9.109 2.958 -3.382
85 HH TYR 10 HH TYR 10 -10.532 5.971 -4.264
86 H ALA 11 H ALA 11 -11.834 2.527 -0.145
87 HA ALA 11 HA ALA 11 -13.311 4.809 -0.665
88 HB1 ALA 11 HB1 ALA 11 -14.379 3.485 -2.335
89 HB2 ALA 11 HB2 ALA 11 -12.739 2.810 -2.171
90 HB3 ALA 11 HB3 ALA 11 -14.122 1.982 -1.417
91 H ILE 12 H ILE 12 -14.407 1.678 0.835
92 HA ILE 12 HA ILE 12 -16.955 2.669 1.468
93 HB ILE 12 HB ILE 12 -16.689 0.355 1.259
94 HG12 ILE 12 HG12 ILE 12 -17.537 -0.523 3.352
95 HG13 ILE 12 HG13 ILE 12 -16.907 0.850 4.240
96 HG21 ILE 12 HG21 ILE 12 -15.163 -0.870 2.986
97 HG22 ILE 12 HG22 ILE 12 -14.452 -0.144 1.525
98 HG23 ILE 12 HG23 ILE 12 -14.334 0.702 3.086
99 HD11 ILE 12 HD11 ILE 12 -19.467 0.693 3.248
100 HD12 ILE 12 HD12 ILE 12 -18.627 2.221 3.606
101 HD13 ILE 12 HD13 ILE 12 -18.647 1.586 1.943
102 H GLY 13 H GLY 13 -13.791 2.751 3.111
103 HA2 GLY 13 HA2 GLY 13 -14.734 3.479 5.672
104 HA3 GLY 13 HA3 GLY 13 -13.122 3.717 5.029
105 H TYR 14 H TYR 14 -14.082 5.292 2.653
106 HA TYR 14 HA TYR 14 -14.042 7.842 3.909
107 HB2 TYR 14 HB2 TYR 14 -12.989 7.621 1.753
108 HB3 TYR 14 HB3 TYR 14 -14.264 6.586 1.141
109 HD1 TYR 14 HD1 TYR 14 -16.452 7.588 0.428
110 HD2 TYR 14 HD2 TYR 14 -13.089 10.005 1.503
111 HE1 TYR 14 HE1 TYR 14 -17.510 9.588 -0.732
112 HE2 TYR 14 HE2 TYR 14 -14.159 11.997 0.340
113 HH TYR 14 HH TYR 14 -15.737 12.484 -1.305
114 H ALA 15 H ALA 15 -16.540 5.821 2.274
115 HA ALA 15 HA ALA 15 -18.508 7.865 2.330
116 HB1 ALA 15 HB1 ALA 15 -19.468 5.088 2.271
117 HB2 ALA 15 HB2 ALA 15 -19.638 6.379 1.058
118 HB3 ALA 15 HB3 ALA 15 -18.157 5.391 1.106
119 H PHE 16 H PHE 16 -17.853 4.912 4.337
120 HA PHE 16 HA PHE 16 -19.973 5.411 6.111
121 HB2 PHE 16 HB2 PHE 16 -18.172 3.385 5.532
122 HB3 PHE 16 HB3 PHE 16 -17.439 4.020 6.992
123 HD1 PHE 16 HD1 PHE 16 -19.847 4.752 8.562
124 HD2 PHE 16 HD2 PHE 16 -19.044 1.329 6.188
125 HE1 PHE 16 HE1 PHE 16 -21.452 3.412 9.952
126 HE2 PHE 16 HE2 PHE 16 -20.648 -0.012 7.577
127 HZ PHE 16 HZ PHE 16 -21.832 1.046 9.443
128 H GLY 17 H GLY 17 -16.382 5.900 6.439
129 HA2 GLY 17 HA2 GLY 17 -16.419 7.062 8.963
130 HA3 GLY 17 HA3 GLY 17 -15.192 7.295 7.734
131 H ALA 18 H ALA 18 -17.349 8.356 5.796
132 HA ALA 18 HA ALA 18 -16.977 11.080 6.402
133 HB1 ALA 18 HB1 ALA 18 -18.421 9.438 4.349
134 HB2 ALA 18 HB2 ALA 18 -18.865 11.155 4.510
135 HB3 ALA 18 HB3 ALA 18 -17.185 10.701 4.136
136 H VAL 19 H VAL 19 -19.883 8.904 6.515
137 HA VAL 19 HA VAL 19 -21.528 10.927 7.626
138 HB VAL 19 HB VAL 19 -23.090 9.047 7.986
139 HG11 VAL 19 HG11 VAL 19 -22.501 8.293 5.313
140 HG12 VAL 19 HG12 VAL 19 -23.675 9.503 5.884
141 HG13 VAL 19 HG13 VAL 19 -22.009 9.993 5.495
142 HG21 VAL 19 HG21 VAL 19 -22.565 6.800 7.469
143 HG22 VAL 19 HG22 VAL 19 -21.016 7.247 6.715
144 HG23 VAL 19 HG23 VAL 19 -21.218 7.377 8.479
145 H GLU 20 H GLU 20 -19.381 8.377 8.913
146 HA GLU 20 HA GLU 20 -20.372 8.574 11.536
147 HB2 GLU 20 HB2 GLU 20 -17.721 7.512 10.464
148 HB3 GLU 20 HB3 GLU 20 -18.269 7.305 12.116
149 HG2 GLU 20 HG2 GLU 20 -20.177 6.488 9.939
150 HG3 GLU 20 HG3 GLU 20 -18.764 5.479 10.171
151 HE2 GLU 20 HE2 GLU 20 -21.516 5.837 13.063
152 H ARG 21 H ARG 21 -17.961 10.330 9.611
153 HA ARG 21 HA ARG 21 -16.431 11.379 11.596
154 HB2 ARG 21 HB2 ARG 21 -16.915 11.865 8.802
155 HB3 ARG 21 HB3 ARG 21 -16.953 13.426 9.598
156 HG2 ARG 21 HG2 ARG 21 -14.646 12.744 8.835
157 HG3 ARG 21 HG3 ARG 21 -14.738 13.090 10.551
158 HD2 ARG 21 HD2 ARG 21 -13.938 11.015 10.997
159 HD3 ARG 21 HD3 ARG 21 -15.373 10.315 10.275
160 HE ARG 21 HE ARG 21 -13.880 10.899 8.055
161 HH11 ARG 21 HH22 ARG 21 -13.050 9.232 11.070
162 HH12 ARG 21 HH21 ARG 21 -11.845 8.232 10.329
163 HH21 ARG 21 HH11 ARG 21 -11.414 8.454 7.981
164 H ALA 22 H ALA 22 -19.705 12.286 10.467
165 HA ALA 22 HA ALA 22 -19.809 14.753 11.857
166 HB1 ALA 22 HB1 ALA 22 -22.233 13.106 11.147
167 HB2 ALA 22 HB2 ALA 22 -21.989 14.867 11.035
168 HB3 ALA 22 HB3 ALA 22 -21.217 13.783 9.851
169 H VAL 23 H VAL 23 -20.437 11.339 12.660
170 HA VAL 23 HA VAL 23 -21.941 11.803 14.979
171 HB VAL 23 HB VAL 23 -20.116 9.501 14.258
172 HG11 VAL 23 HG11 VAL 23 -22.447 9.655 16.201
173 HG12 VAL 23 HG12 VAL 23 -21.559 8.176 15.757
174 HG13 VAL 23 HG13 VAL 23 -20.726 9.487 16.625
175 HG21 VAL 23 HG21 VAL 23 -21.790 8.568 12.992
176 HG22 VAL 23 HG22 VAL 23 -23.085 9.414 13.873
177 HG23 VAL 23 HG23 VAL 23 -22.099 10.293 12.680
178 H LEU 24 H LEU 24 -18.568 12.260 14.204
179 HA LEU 24 HA LEU 24 -17.927 12.387 17.062
180 HB2 LEU 24 HB2 LEU 24 -15.989 12.373 14.756
181 HB3 LEU 24 HB3 LEU 24 -15.646 12.130 16.457
182 HG LEU 24 HG LEU 24 -17.291 10.234 14.759
183 HD11 LEU 24 HD11 LEU 24 -14.385 10.024 15.597
184 HD12 LEU 24 HD12 LEU 24 -15.327 8.772 14.753
185 HD13 LEU 24 HD13 LEU 24 -14.988 10.324 13.949
186 HD21 LEU 24 HD21 LEU 24 -16.601 10.355 17.633
187 HD22 LEU 24 HD22 LEU 24 -17.983 9.596 16.806
188 HD23 LEU 24 HD23 LEU 24 -16.408 8.767 16.854
189 H GLY 25 H GLY 25 -19.405 14.342 15.079
190 HA2 GLY 25 HA2 GLY 25 -18.060 16.711 16.119
191 HA3 GLY 25 HA3 GLY 25 -18.130 16.555 14.375
192 H GLY 26 H GLY 26 -19.982 17.169 13.292
193 HA2 GLY 26 HA2 GLY 26 -22.556 16.898 13.797
194 HA3 GLY 26 HA3 GLY 26 -22.178 18.174 14.936
195 H SER 27 H SER 27 -23.005 17.439 11.689
196 HA SER 27 HA SER 27 -23.473 19.962 10.934
197 HB2 SER 27 HB2 SER 27 -21.462 20.300 9.279
198 HB3 SER 27 HB3 SER 27 -21.276 20.766 10.958
199 HG SER 27 HG SER 27 -19.598 19.447 10.992
200 H ARG 28 H ARG 28 -24.516 19.939 8.895
201 HA ARG 28 HA ARG 28 -23.992 17.633 7.236
202 HB2 ARG 28 HB2 ARG 28 -26.701 17.713 6.971
203 HB3 ARG 28 HB3 ARG 28 -25.897 16.676 8.132
204 HG2 ARG 28 HG2 ARG 28 -27.623 17.855 9.340
205 HG3 ARG 28 HG3 ARG 28 -26.096 18.549 9.845
206 HD2 ARG 28 HD2 ARG 28 -26.459 20.342 8.013
207 HD3 ARG 28 HD3 ARG 28 -28.092 19.725 7.862
208 HE ARG 28 HE ARG 28 -26.978 21.210 10.162
209 HH11 ARG 28 HH22 ARG 28 -29.673 19.279 8.913
210 HH12 ARG 28 HH21 ARG 28 -30.793 19.845 10.107
211 HH21 ARG 28 HH11 ARG 28 -30.056 21.418 11.757
212 H ASP 29 H ASP 29 -23.025 20.129 6.648
213 HA ASP 29 HA ASP 29 -24.991 21.537 5.109
214 HB2 ASP 29 HB2 ASP 29 -22.290 22.039 6.191
215 HB3 ASP 29 HB3 ASP 29 -22.458 22.629 4.549
216 HD2 ASP 29 HD2 ASP 29 -24.100 25.417 5.520
217 H TYR 30 H TYR 30 -21.597 20.323 4.502
218 HA TYR 30 HA TYR 30 -22.486 19.120 2.011
219 HB2 TYR 30 HB2 TYR 30 -20.654 21.517 2.446
220 HB3 TYR 30 HB3 TYR 30 -20.231 20.408 1.157
221 HD1 TYR 30 HD1 TYR 30 -21.734 20.125 -0.801
222 HD2 TYR 30 HD2 TYR 30 -22.547 23.008 2.253
223 HE1 TYR 30 HE1 TYR 30 -23.370 21.310 -2.346
224 HE2 TYR 30 HE2 TYR 30 -24.180 24.184 0.698
225 HH TYR 30 HH TYR 30 -24.383 23.369 -2.652
226 H ASN 31 H ASN 31 -19.166 20.116 2.935
227 HA ASN 31 HA ASN 31 -18.664 17.351 3.679
228 HB2 ASN 31 HB2 ASN 31 -17.936 17.938 1.255
229 HB3 ASN 31 HB3 ASN 31 -16.748 19.010 1.968
230 HD21 ASN 31 HD21 ASN 31 -14.822 18.201 2.226
231 HD22 ASN 31 HD22 ASN 31 -14.399 16.541 2.482
232 H LYS 32 H LYS 32 -19.107 19.794 5.291
233 HA LYS 32 HA LYS 32 -16.417 20.068 6.437
234 HB2 LYS 32 HB2 LYS 32 -18.509 22.255 6.236
235 HB3 LYS 32 HB3 LYS 32 -16.936 22.391 6.994
236 HG2 LYS 32 HG2 LYS 32 -17.296 21.620 4.065
237 HG3 LYS 32 HG3 LYS 32 -17.098 23.279 4.591
238 HD2 LYS 32 HD2 LYS 32 -14.905 22.710 5.625
239 HD3 LYS 32 HD3 LYS 32 -15.106 21.032 5.160
240 HE2 LYS 32 HE2 LYS 32 -13.642 22.310 3.567
241 HE3 LYS 32 HE3 LYS 32 -15.041 21.608 2.781
242 HZ1 LYS 32 HZ1 LYS 32 -15.389 24.314 3.808
243 HZ2 LYS 32 HZ2 LYS 32 -14.406 24.170 2.519
Start of MODEL 10
1 H1 ARG 1 H ARG 1 2.287 -0.249 3.917
2 HA ARG 1 HA ARG 1 2.365 2.393 2.702
3 HB2 ARG 1 HB2 ARG 1 4.451 0.546 3.769
4 HB3 ARG 1 HB3 ARG 1 4.870 1.288 2.237
5 HG2 ARG 1 HG2 ARG 1 3.681 3.174 4.207
6 HG3 ARG 1 HG3 ARG 1 5.203 2.475 4.721
7 HD2 ARG 1 HD2 ARG 1 5.894 4.388 3.513
8 HD3 ARG 1 HD3 ARG 1 6.080 3.104 2.333
9 HE ARG 1 HE ARG 1 4.380 4.074 1.059
10 HH11 ARG 1 HH22 ARG 1 4.130 5.295 4.376
11 HH12 ARG 1 HH21 ARG 1 2.880 6.433 3.995
12 HH21 ARG 1 HH11 ARG 1 2.073 6.579 1.744
13 H ARG 2 H ARG 2 0.878 -0.193 1.889
14 HA ARG 2 HA ARG 2 1.711 -0.061 -0.844
15 HB2 ARG 2 HB2 ARG 2 1.600 -2.693 -0.915
16 HB3 ARG 2 HB3 ARG 2 3.079 -1.929 -0.365
17 HG2 ARG 2 HG2 ARG 2 2.559 -2.337 1.951
18 HG3 ARG 2 HG3 ARG 2 0.886 -2.714 1.594
19 HD2 ARG 2 HD2 ARG 2 2.605 -4.488 0.056
20 HD3 ARG 2 HD3 ARG 2 3.097 -4.531 1.737
21 HE ARG 2 HE ARG 2 0.342 -4.710 1.902
22 HH11 ARG 2 HH22 ARG 2 2.791 -6.538 0.109
23 HH12 ARG 2 HH21 ARG 2 1.873 -8.007 0.110
24 HH21 ARG 2 HH11 ARG 2 -0.276 -8.049 1.170
25 H SER 3 H SER 3 -0.584 1.019 0.206
26 HA SER 3 HA SER 3 -2.718 1.100 -0.265
27 HB2 SER 3 HB2 SER 3 -1.941 -0.668 -2.180
28 HB3 SER 3 HB3 SER 3 -3.000 -1.715 -1.256
29 HG SER 3 HG SER 3 -4.566 -0.790 -2.389
30 H ARG 4 H ARG 4 -1.202 -0.603 2.001
31 HA ARG 4 HA ARG 4 -3.507 -2.063 2.942
32 HB2 ARG 4 HB2 ARG 4 -0.849 -2.707 2.992
33 HB3 ARG 4 HB3 ARG 4 -0.977 -1.941 4.562
34 HG2 ARG 4 HG2 ARG 4 -1.974 -3.785 5.422
35 HG3 ARG 4 HG3 ARG 4 -3.265 -3.673 4.241
36 HD2 ARG 4 HD2 ARG 4 -1.659 -4.813 2.566
37 HD3 ARG 4 HD3 ARG 4 -0.602 -5.130 3.928
38 HE ARG 4 HE ARG 4 -3.212 -6.394 3.396
39 HH11 ARG 4 HH22 ARG 4 -0.654 -5.826 5.781
40 HH12 ARG 4 HH21 ARG 4 -1.102 -7.177 6.767
41 HH21 ARG 4 HH11 ARG 4 -2.956 -8.546 6.110
42 H LYS 5 H LYS 5 -1.938 0.998 3.257
43 HA LYS 5 HA LYS 5 -2.775 1.428 5.988
44 HB2 LYS 5 HB2 LYS 5 -0.696 2.381 4.485
45 HB3 LYS 5 HB3 LYS 5 -1.825 3.716 4.378
46 HG2 LYS 5 HG2 LYS 5 -2.077 3.300 7.011
47 HG3 LYS 5 HG3 LYS 5 -0.511 2.533 6.830
48 HD2 LYS 5 HD2 LYS 5 -0.877 5.230 5.543
49 HD3 LYS 5 HD3 LYS 5 -0.780 5.187 7.292
50 HE2 LYS 5 HE2 LYS 5 1.293 4.137 5.314
51 HE3 LYS 5 HE3 LYS 5 1.475 5.490 6.412
52 HZ1 LYS 5 HZ1 LYS 5 2.416 3.202 7.106
53 HZ2 LYS 5 HZ2 LYS 5 1.620 4.058 8.239
54 H ASN 6 H ASN 6 -3.820 2.136 2.653
55 HA ASN 6 HA ASN 6 -6.286 3.127 3.813
56 HB2 ASN 6 HB2 ASN 6 -4.395 4.782 2.478
57 HB3 ASN 6 HB3 ASN 6 -5.639 4.483 1.281
58 HD21 ASN 6 HD21 ASN 6 -5.508 4.992 4.809
59 HD22 ASN 6 HD22 ASN 6 -6.730 6.217 4.899
60 H GLY 7 H GLY 7 -7.702 1.511 3.097
61 HA2 GLY 7 HA2 GLY 7 -8.385 1.207 0.417
62 HA3 GLY 7 HA3 GLY 7 -7.242 -0.066 0.794
63 H ILE 8 H ILE 8 -7.938 -0.412 3.611
64 HA ILE 8 HA ILE 8 -10.609 -1.580 3.254
65 HB ILE 8 HB ILE 8 -8.111 -2.551 4.559
66 HG12 ILE 8 HG12 ILE 8 -9.891 -4.552 3.488
67 HG13 ILE 8 HG13 ILE 8 -9.695 -3.261 2.319
68 HG21 ILE 8 HG21 ILE 8 -9.837 -4.312 5.603
69 HG22 ILE 8 HG22 ILE 8 -9.269 -2.871 6.480
70 HG23 ILE 8 HG23 ILE 8 -10.852 -2.852 5.668
71 HD11 ILE 8 HD11 ILE 8 -7.812 -4.481 1.776
72 HD12 ILE 8 HD12 ILE 8 -7.104 -3.502 3.083
73 HD13 ILE 8 HD13 ILE 8 -7.654 -5.162 3.414
74 H GLY 9 H GLY 9 -8.499 0.528 5.148
75 HA2 GLY 9 HA2 GLY 9 -10.096 0.666 7.485
76 HA3 GLY 9 HA3 GLY 9 -8.871 1.806 6.966
77 H TYR 10 H TYR 10 -10.055 2.432 4.345
78 HA TYR 10 HA TYR 10 -11.845 4.457 5.200
79 HB2 TYR 10 HB2 TYR 10 -11.347 5.188 3.023
80 HB3 TYR 10 HB3 TYR 10 -10.121 3.938 3.090
81 HD1 TYR 10 HD1 TYR 10 -10.495 1.746 1.979
82 HD2 TYR 10 HD2 TYR 10 -13.311 4.949 1.632
83 HE1 TYR 10 HE1 TYR 10 -11.574 0.591 -0.012
84 HE2 TYR 10 HE2 TYR 10 -14.380 3.783 -0.359
85 HH TYR 10 HH TYR 10 -13.499 2.094 -2.140
86 H ALA 11 H ALA 11 -12.198 1.239 3.646
87 HA ALA 11 HA ALA 11 -14.773 1.427 2.737
88 HB1 ALA 11 HB1 ALA 11 -14.545 -0.817 2.426
89 HB2 ALA 11 HB2 ALA 11 -12.860 -0.517 2.918
90 HB3 ALA 11 HB3 ALA 11 -14.046 -1.105 4.110
91 H ILE 12 H ILE 12 -13.603 0.585 6.063
92 HA ILE 12 HA ILE 12 -16.230 0.300 7.083
93 HB ILE 12 HB ILE 12 -14.378 -0.867 8.061
94 HG12 ILE 12 HG12 ILE 12 -14.809 -0.451 10.384
95 HG13 ILE 12 HG13 ILE 12 -15.310 1.199 10.068
96 HG21 ILE 12 HG21 ILE 12 -12.690 0.471 9.435
97 HG22 ILE 12 HG22 ILE 12 -12.497 0.482 7.666
98 HG23 ILE 12 HG23 ILE 12 -13.218 1.885 8.492
99 HD11 ILE 12 HD11 ILE 12 -17.245 -0.370 10.404
100 HD12 ILE 12 HD12 ILE 12 -17.273 0.427 8.812
101 HD13 ILE 12 HD13 ILE 12 -16.732 -1.263 8.952
102 H GLY 13 H GLY 13 -13.913 2.988 6.713
103 HA2 GLY 13 HA2 GLY 13 -15.188 4.805 8.459
104 HA3 GLY 13 HA3 GLY 13 -14.085 5.189 7.152
105 H TYR 14 H TYR 14 -15.835 3.720 5.128
106 HA TYR 14 HA TYR 14 -17.422 5.968 4.418
107 HB2 TYR 14 HB2 TYR 14 -16.489 4.631 2.645
108 HB3 TYR 14 HB3 TYR 14 -16.816 3.130 3.489
109 HD1 TYR 14 HD1 TYR 14 -18.864 6.014 2.204
110 HD2 TYR 14 HD2 TYR 14 -18.373 1.772 2.455
111 HE1 TYR 14 HE1 TYR 14 -20.967 5.682 0.814
112 HE2 TYR 14 HE2 TYR 14 -20.476 1.453 1.063
113 HH TYR 14 HH TYR 14 -22.109 2.406 0.030
114 H ALA 15 H ALA 15 -18.188 2.561 5.425
115 HA ALA 15 HA ALA 15 -20.972 2.984 5.399
116 HB1 ALA 15 HB1 ALA 15 -21.089 0.783 6.208
117 HB2 ALA 15 HB2 ALA 15 -19.542 0.800 5.326
118 HB3 ALA 15 HB3 ALA 15 -19.556 0.927 7.102
119 H PHE 16 H PHE 16 -18.502 2.922 8.058
120 HA PHE 16 HA PHE 16 -20.364 3.547 10.066
121 HB2 PHE 16 HB2 PHE 16 -17.838 2.612 9.994
122 HB3 PHE 16 HB3 PHE 16 -17.406 4.310 10.060
123 HD1 PHE 16 HD2 PHE 16 -19.721 5.171 11.882
124 HD2 PHE 16 HD1 PHE 16 -16.950 1.963 12.095
125 HE1 PHE 16 HE2 PHE 16 -19.955 5.134 14.380
126 HE2 PHE 16 HE1 PHE 16 -17.185 1.925 14.593
127 HZ PHE 16 HZ PHE 16 -18.685 3.512 15.706
128 H GLY 17 H GLY 17 -17.864 5.579 8.373
129 HA2 GLY 17 HA2 GLY 17 -18.491 7.992 9.609
130 HA3 GLY 17 HA3 GLY 17 -17.741 7.796 8.037
131 H ALA 18 H ALA 18 -20.199 6.148 7.116
132 HA ALA 18 HA ALA 18 -21.574 8.314 5.951
133 HB1 ALA 18 HB1 ALA 18 -21.631 6.429 4.624
134 HB2 ALA 18 HB2 ALA 18 -21.779 5.324 6.011
135 HB3 ALA 18 HB3 ALA 18 -23.197 6.243 5.450
136 H VAL 19 H VAL 19 -22.400 5.967 8.589
137 HA VAL 19 HA VAL 19 -24.923 7.159 9.074
138 HB VAL 19 HB VAL 19 -24.873 5.745 11.099
139 HG11 VAL 19 HG11 VAL 19 -25.614 4.855 8.910
140 HG12 VAL 19 HG12 VAL 19 -23.955 4.297 8.591
141 HG13 VAL 19 HG13 VAL 19 -24.884 3.602 9.941
142 HG21 VAL 19 HG21 VAL 19 -23.037 4.465 11.764
143 HG22 VAL 19 HG22 VAL 19 -22.209 4.655 10.199
144 HG23 VAL 19 HG23 VAL 19 -22.302 6.027 11.329
145 H GLU 20 H GLU 20 -21.590 7.663 10.244
146 HA GLU 20 HA GLU 20 -22.363 9.238 12.439
147 HB2 GLU 20 HB2 GLU 20 -19.703 9.192 10.944
148 HB3 GLU 20 HB3 GLU 20 -19.965 9.835 12.554
149 HG2 GLU 20 HG2 GLU 20 -21.005 7.114 12.404
150 HG3 GLU 20 HG3 GLU 20 -19.348 7.142 11.836
151 HE2 GLU 20 HE2 GLU 20 -18.610 6.749 15.129
152 H ARG 21 H ARG 21 -21.761 9.843 8.985
153 HA ARG 21 HA ARG 21 -21.268 12.509 9.043
154 HB2 ARG 21 HB2 ARG 21 -22.146 10.527 7.098
155 HB3 ARG 21 HB3 ARG 21 -23.017 12.022 6.818
156 HG2 ARG 21 HG2 ARG 21 -21.029 13.266 6.434
157 HG3 ARG 21 HG3 ARG 21 -20.019 12.101 7.267
158 HD2 ARG 21 HD2 ARG 21 -19.533 11.634 5.009
159 HD3 ARG 21 HD3 ARG 21 -20.757 10.432 5.367
160 HE ARG 21 HE ARG 21 -22.317 12.470 4.475
161 HH11 ARG 21 HH22 ARG 21 -19.327 11.120 3.138
162 HH12 ARG 21 HH21 ARG 21 -19.732 11.516 1.502
163 HH21 ARG 21 HH11 ARG 21 -21.811 12.618 1.042
164 H ALA 22 H ALA 22 -24.375 10.726 9.308
165 HA ALA 22 HA ALA 22 -26.063 12.951 9.008
166 HB1 ALA 22 HB1 ALA 22 -27.736 11.430 9.421
167 HB2 ALA 22 HB2 ALA 22 -26.419 10.287 9.064
168 HB3 ALA 22 HB3 ALA 22 -26.849 10.650 10.753
169 H VAL 23 H VAL 23 -24.412 11.436 11.827
170 HA VAL 23 HA VAL 23 -25.711 12.869 13.815
171 HB VAL 23 HB VAL 23 -22.883 11.806 13.675
172 HG11 VAL 23 HG11 VAL 23 -23.369 13.519 15.498
173 HG12 VAL 23 HG12 VAL 23 -24.503 12.328 16.179
174 HG13 VAL 23 HG13 VAL 23 -22.772 11.934 16.041
175 HG21 VAL 23 HG21 VAL 23 -23.852 9.862 14.907
176 HG22 VAL 23 HG22 VAL 23 -25.471 10.554 14.649
177 HG23 VAL 23 HG23 VAL 23 -24.487 10.049 13.255
178 H LEU 24 H LEU 24 -23.198 13.790 11.490
179 HA LEU 24 HA LEU 24 -22.643 16.235 12.946
180 HB2 LEU 24 HB2 LEU 24 -21.577 15.453 10.244
181 HB3 LEU 24 HB3 LEU 24 -20.899 16.577 11.406
182 HG LEU 24 HG LEU 24 -21.082 13.578 11.800
183 HD11 LEU 24 HD11 LEU 24 -19.541 14.094 10.001
184 HD12 LEU 24 HD12 LEU 24 -18.719 15.304 11.015
185 HD13 LEU 24 HD13 LEU 24 -18.641 13.580 11.450
186 HD21 LEU 24 HD21 LEU 24 -20.835 14.102 13.956
187 HD22 LEU 24 HD22 LEU 24 -19.164 14.541 13.525
188 HD23 LEU 24 HD23 LEU 24 -20.424 15.796 13.595
189 H GLY 25 H GLY 25 -24.553 15.008 10.221
190 HA2 GLY 25 HA2 GLY 25 -25.847 16.074 8.692
191 HA3 GLY 25 HA3 GLY 25 -26.433 16.914 10.114
192 H GLY 26 H GLY 26 -23.362 17.022 8.157
193 HA2 GLY 26 HA2 GLY 26 -23.621 19.315 6.800
194 HA3 GLY 26 HA3 GLY 26 -23.289 19.910 8.414
195 H SER 27 H SER 27 -21.929 18.645 5.508
196 HA SER 27 HA SER 27 -19.340 19.138 6.421
197 HB2 SER 27 HB2 SER 27 -18.371 16.960 6.523
198 HB3 SER 27 HB3 SER 27 -19.824 16.863 7.498
199 HG SER 27 HG SER 27 -19.315 15.772 4.896
200 H ARG 28 H ARG 28 -17.924 19.360 4.624
201 HA ARG 28 HA ARG 28 -18.389 18.087 2.204
202 HB2 ARG 28 HB2 ARG 28 -18.845 20.482 1.025
203 HB3 ARG 28 HB3 ARG 28 -20.155 19.430 1.524
204 HG2 ARG 28 HG2 ARG 28 -20.511 21.763 2.315
205 HG3 ARG 28 HG3 ARG 28 -20.386 20.644 3.657
206 HD2 ARG 28 HD2 ARG 28 -19.027 22.580 4.204
207 HD3 ARG 28 HD3 ARG 28 -17.931 21.254 3.872
208 HE ARG 28 HE ARG 28 -18.231 22.471 1.396
209 HH11 ARG 28 HH22 ARG 28 -17.271 23.632 4.603
210 HH12 ARG 28 HH21 ARG 28 -16.256 24.891 3.980
211 HH21 ARG 28 HH11 ARG 28 -16.048 25.166 1.608
212 H ASP 29 H ASP 29 -16.186 18.521 3.961
213 HA ASP 29 HA ASP 29 -14.474 19.998 2.157
214 HB2 ASP 29 HB2 ASP 29 -13.259 20.914 4.237
215 HB3 ASP 29 HB3 ASP 29 -14.790 21.664 3.832
216 HD2 ASP 29 HD2 ASP 29 -14.581 20.894 7.421
217 H TYR 30 H TYR 30 -14.781 18.001 5.181
218 HA TYR 30 HA TYR 30 -13.302 15.862 4.262
219 HB2 TYR 30 HB2 TYR 30 -11.825 18.233 5.387
220 HB3 TYR 30 HB3 TYR 30 -11.363 16.704 6.110
221 HD1 TYR 30 HD2 TYR 30 -11.534 14.856 3.792
222 HD2 TYR 30 HD1 TYR 30 -10.010 18.845 4.042
223 HE1 TYR 30 HE2 TYR 30 -9.991 14.398 1.824
224 HE2 TYR 30 HE1 TYR 30 -8.472 18.374 2.073
225 HH TYR 30 HH TYR 30 -7.670 16.847 0.746
226 H ASN 31 H ASN 31 -13.924 14.202 5.555
227 HA ASN 31 HA ASN 31 -15.262 14.820 7.963
228 HB2 ASN 31 HB2 ASN 31 -15.618 12.833 6.235
229 HB3 ASN 31 HB3 ASN 31 -14.369 12.023 7.159
230 HD21 ASN 31 HD21 ASN 31 -15.181 10.647 8.528
231 HD22 ASN 31 HD22 ASN 31 -16.590 10.844 9.515
232 H LYS 32 H LYS 32 -11.985 14.149 6.997
233 HA LYS 32 HA LYS 32 -10.900 12.682 8.996
234 HB2 LYS 32 HB2 LYS 32 -8.811 13.777 8.492
235 HB3 LYS 32 HB3 LYS 32 -9.710 13.535 7.008
236 HG2 LYS 32 HG2 LYS 32 -9.555 15.755 6.584
237 HG3 LYS 32 HG3 LYS 32 -10.549 16.072 7.992
238 HD2 LYS 32 HD2 LYS 32 -8.669 16.399 9.413
239 HD3 LYS 32 HD3 LYS 32 -7.583 15.542 8.338
240 HE2 LYS 32 HE2 LYS 32 -7.589 17.357 6.728
241 HE3 LYS 32 HE3 LYS 32 -8.936 18.149 7.521
242 HZ1 LYS 32 HZ1 LYS 32 -7.509 19.155 8.917
243 HZ2 LYS 32 HZ2 LYS 32 -6.795 17.759 9.356
Start of MODEL 11
1 H1 ARG 1 H ARG 1 -0.215 -5.463 4.227
2 HA ARG 1 HA ARG 1 0.411 -5.352 7.054
3 HB2 ARG 1 HB2 ARG 1 2.060 -5.006 4.518
4 HB3 ARG 1 HB3 ARG 1 2.679 -4.450 6.060
5 HG2 ARG 1 HG2 ARG 1 1.616 -7.124 6.408
6 HG3 ARG 1 HG3 ARG 1 2.679 -7.126 5.015
7 HD2 ARG 1 HD2 ARG 1 3.744 -5.613 7.351
8 HD3 ARG 1 HD3 ARG 1 3.526 -7.327 7.647
9 HE ARG 1 HE ARG 1 4.866 -6.709 5.102
10 HH11 ARG 1 HH22 ARG 1 5.316 -7.410 8.545
11 HH12 ARG 1 HH21 ARG 1 6.956 -7.931 8.352
12 HH21 ARG 1 HH11 ARG 1 7.943 -7.914 6.168
13 H ARG 2 H ARG 2 -0.886 -3.591 7.770
14 HA ARG 2 HA ARG 2 -1.656 -1.561 7.922
15 HB2 ARG 2 HB2 ARG 2 1.318 -1.226 7.534
16 HB3 ARG 2 HB3 ARG 2 0.346 0.232 7.566
17 HG2 ARG 2 HG2 ARG 2 -0.606 -1.373 9.724
18 HG3 ARG 2 HG3 ARG 2 1.141 -1.490 9.784
19 HD2 ARG 2 HD2 ARG 2 -0.161 1.225 9.412
20 HD3 ARG 2 HD3 ARG 2 -0.086 0.514 11.012
21 HE ARG 2 HE ARG 2 2.510 0.314 9.836
22 HH11 ARG 2 HH22 ARG 2 0.301 2.799 11.063
23 HH12 ARG 2 HH21 ARG 2 1.573 3.892 11.494
24 HH21 ARG 2 HH11 ARG 2 3.851 3.259 11.099
25 H SER 3 H SER 3 -2.400 -2.506 5.451
26 HA SER 3 HA SER 3 -2.031 -0.144 3.789
27 HB2 SER 3 HB2 SER 3 -1.310 -2.893 3.177
28 HB3 SER 3 HB3 SER 3 -2.565 -2.364 2.074
29 HG SER 3 HG SER 3 0.108 -1.558 2.261
30 H ARG 4 H ARG 4 -4.110 -1.605 5.757
31 HA ARG 4 HA ARG 4 -6.309 -1.991 4.006
32 HB2 ARG 4 HB2 ARG 4 -5.966 -1.971 7.033
33 HB3 ARG 4 HB3 ARG 4 -7.559 -2.096 6.314
34 HG2 ARG 4 HG2 ARG 4 -7.213 -4.251 5.579
35 HG3 ARG 4 HG3 ARG 4 -5.541 -3.950 5.146
36 HD2 ARG 4 HD2 ARG 4 -5.784 -3.742 8.026
37 HD3 ARG 4 HD3 ARG 4 -6.552 -5.232 7.515
38 HE ARG 4 HE ARG 4 -4.016 -4.902 6.167
39 HH11 ARG 4 HH22 ARG 4 -5.402 -5.800 9.301
40 HH12 ARG 4 HH21 ARG 4 -4.048 -6.777 9.761
41 HH21 ARG 4 HH11 ARG 4 -2.193 -6.992 8.258
42 H LYS 5 H LYS 5 -4.778 0.690 5.574
43 HA LYS 5 HA LYS 5 -7.196 2.259 5.776
44 HB2 LYS 5 HB2 LYS 5 -4.304 2.670 6.501
45 HB3 LYS 5 HB3 LYS 5 -5.387 4.043 6.396
46 HG2 LYS 5 HG2 LYS 5 -6.515 1.735 7.895
47 HG3 LYS 5 HG3 LYS 5 -5.080 2.422 8.629
48 HD2 LYS 5 HD2 LYS 5 -6.111 4.682 8.599
49 HD3 LYS 5 HD3 LYS 5 -7.528 4.045 7.787
50 HE2 LYS 5 HE2 LYS 5 -7.428 2.353 9.945
51 HE3 LYS 5 HE3 LYS 5 -6.704 3.782 10.653
52 HZ1 LYS 5 HZ1 LYS 5 -9.007 4.477 9.124
53 HZ2 LYS 5 HZ2 LYS 5 -9.397 3.365 10.249
54 H ASN 6 H ASN 6 -4.880 1.378 3.385
55 HA ASN 6 HA ASN 6 -5.872 3.573 1.754
56 HB2 ASN 6 HB2 ASN 6 -3.087 2.497 1.267
57 HB3 ASN 6 HB3 ASN 6 -3.726 4.090 0.911
58 HD21 ASN 6 HD21 ASN 6 -3.075 1.912 3.647
59 HD22 ASN 6 HD22 ASN 6 -2.506 3.113 4.758
60 H GLY 7 H GLY 7 -6.693 0.707 2.125
61 HA2 GLY 7 HA2 GLY 7 -5.728 -0.595 -0.319
62 HA3 GLY 7 HA3 GLY 7 -6.631 -1.333 0.989
63 H ILE 8 H ILE 8 -8.628 -1.965 0.311
64 HA ILE 8 HA ILE 8 -10.036 -0.137 -1.509
65 HB ILE 8 HB ILE 8 -9.776 -3.106 -1.437
66 HG12 ILE 8 HG12 ILE 8 -10.192 -2.131 -4.036
67 HG13 ILE 8 HG13 ILE 8 -9.205 -0.911 -3.256
68 HG21 ILE 8 HG21 ILE 8 -11.817 -3.397 -2.739
69 HG22 ILE 8 HG22 ILE 8 -12.180 -2.737 -1.126
70 HG23 ILE 8 HG23 ILE 8 -12.203 -1.670 -2.550
71 HD11 ILE 8 HD11 ILE 8 -8.563 -3.778 -3.861
72 HD12 ILE 8 HD12 ILE 8 -7.516 -2.341 -3.927
73 HD13 ILE 8 HD13 ILE 8 -7.889 -3.099 -2.360
74 H GLY 9 H GLY 9 -10.140 -2.196 1.409
75 HA2 GLY 9 HA2 GLY 9 -12.880 -1.979 1.961
76 HA3 GLY 9 HA3 GLY 9 -11.599 -2.298 3.114
77 H TYR 10 H TYR 10 -10.100 0.216 2.541
78 HA TYR 10 HA TYR 10 -11.445 1.875 4.390
79 HB2 TYR 10 HB2 TYR 10 -9.328 2.885 4.326
80 HB3 TYR 10 HB3 TYR 10 -8.884 1.474 3.388
81 HD1 TYR 10 HD1 TYR 10 -9.924 5.027 3.147
82 HD2 TYR 10 HD2 TYR 10 -8.333 1.645 1.065
83 HE1 TYR 10 HE1 TYR 10 -9.310 6.518 1.180
84 HE2 TYR 10 HE2 TYR 10 -7.724 3.147 -0.895
85 HH TYR 10 HH TYR 10 -8.986 6.147 -1.324
86 H ALA 11 H ALA 11 -11.262 1.730 0.828
87 HA ALA 11 HA ALA 11 -12.116 4.314 0.272
88 HB1 ALA 11 HB1 ALA 11 -13.094 2.134 -1.489
89 HB2 ALA 11 HB2 ALA 11 -12.100 3.559 -1.875
90 HB3 ALA 11 HB3 ALA 11 -11.345 2.114 -1.160
91 H ILE 12 H ILE 12 -14.065 1.248 0.490
92 HA ILE 12 HA ILE 12 -16.519 2.614 0.320
93 HB ILE 12 HB ILE 12 -16.448 0.374 -0.358
94 HG12 ILE 12 HG12 ILE 12 -18.482 1.150 0.931
95 HG13 ILE 12 HG13 ILE 12 -18.273 -0.584 0.785
96 HG21 ILE 12 HG21 ILE 12 -14.608 -0.620 0.621
97 HG22 ILE 12 HG22 ILE 12 -15.076 -0.125 2.264
98 HG23 ILE 12 HG23 ILE 12 -15.954 -1.441 1.449
99 HD11 ILE 12 HD11 ILE 12 -18.340 -0.757 3.039
100 HD12 ILE 12 HD12 ILE 12 -16.847 0.206 3.138
101 HD13 ILE 12 HD13 ILE 12 -18.432 1.014 3.189
102 H GLY 13 H GLY 13 -14.317 1.773 2.984
103 HA2 GLY 13 HA2 GLY 13 -16.169 2.198 5.093
104 HA3 GLY 13 HA3 GLY 13 -14.421 2.160 5.202
105 H TYR 14 H TYR 14 -14.146 4.315 3.061
106 HA TYR 14 HA TYR 14 -14.232 6.525 4.860
107 HB2 TYR 14 HB2 TYR 14 -12.438 6.451 3.255
108 HB3 TYR 14 HB3 TYR 14 -13.486 5.858 1.982
109 HD1 TYR 14 HD1 TYR 14 -12.709 8.904 3.996
110 HD2 TYR 14 HD2 TYR 14 -14.412 7.339 0.396
111 HE1 TYR 14 HE1 TYR 14 -12.921 11.259 3.063
112 HE2 TYR 14 HE2 TYR 14 -14.617 9.700 -0.524
113 HH TYR 14 HH TYR 14 -14.802 11.965 0.359
114 H ALA 15 H ALA 15 -16.016 5.564 1.859
115 HA ALA 15 HA ALA 15 -17.582 7.929 1.838
116 HB1 ALA 15 HB1 ALA 15 -17.423 6.959 -0.255
117 HB2 ALA 15 HB2 ALA 15 -17.504 5.300 0.387
118 HB3 ALA 15 HB3 ALA 15 -18.982 6.286 0.276
119 H PHE 16 H PHE 16 -18.183 4.492 2.838
120 HA PHE 16 HA PHE 16 -20.796 5.034 3.749
121 HB2 PHE 16 HB2 PHE 16 -19.413 2.821 3.106
122 HB3 PHE 16 HB3 PHE 16 -18.921 2.856 4.787
123 HD1 PHE 16 HD1 PHE 16 -21.754 4.083 5.599
124 HD2 PHE 16 HD2 PHE 16 -20.483 0.648 3.455
125 HE1 PHE 16 HE1 PHE 16 -23.871 2.898 6.242
126 HE2 PHE 16 HE2 PHE 16 -22.600 -0.537 4.098
127 HZ PHE 16 HZ PHE 16 -24.269 0.602 5.484
128 H GLY 17 H GLY 17 -17.665 4.454 5.510
129 HA2 GLY 17 HA2 GLY 17 -18.633 4.863 8.083
130 HA3 GLY 17 HA3 GLY 17 -16.977 5.089 7.552
131 H ALA 18 H ALA 18 -18.126 7.141 5.456
132 HA ALA 18 HA ALA 18 -17.644 9.417 7.081
133 HB1 ALA 18 HB1 ALA 18 -18.552 10.462 4.775
134 HB2 ALA 18 HB2 ALA 18 -16.919 9.770 4.927
135 HB3 ALA 18 HB3 ALA 18 -18.231 8.805 4.211
136 H VAL 19 H VAL 19 -20.559 8.079 5.381
137 HA VAL 19 HA VAL 19 -22.287 10.075 6.353
138 HB VAL 19 HB VAL 19 -24.051 8.484 5.624
139 HG11 VAL 19 HG11 VAL 19 -22.507 8.273 3.237
140 HG12 VAL 19 HG12 VAL 19 -23.749 9.477 3.653
141 HG13 VAL 19 HG13 VAL 19 -22.042 9.784 4.053
142 HG21 VAL 19 HG21 VAL 19 -23.599 6.347 4.784
143 HG22 VAL 19 HG22 VAL 19 -21.854 6.666 4.635
144 HG23 VAL 19 HG23 VAL 19 -22.584 6.442 6.243
145 H GLU 20 H GLU 20 -21.134 6.937 7.614
146 HA GLU 20 HA GLU 20 -23.073 6.802 9.643
147 HB2 GLU 20 HB2 GLU 20 -20.348 5.458 9.376
148 HB3 GLU 20 HB3 GLU 20 -21.535 5.039 10.595
149 HG2 GLU 20 HG2 GLU 20 -22.276 5.031 7.647
150 HG3 GLU 20 HG3 GLU 20 -21.470 3.651 8.368
151 HE2 GLU 20 HE2 GLU 20 -24.248 2.548 10.018
152 H ARG 21 H ARG 21 -19.884 8.339 9.289
153 HA ARG 21 HA ARG 21 -19.207 8.648 11.898
154 HB2 ARG 21 HB2 ARG 21 -18.556 9.925 9.332
155 HB3 ARG 21 HB3 ARG 21 -18.491 11.089 10.640
156 HG2 ARG 21 HG2 ARG 21 -16.970 9.589 11.921
157 HG3 ARG 21 HG3 ARG 21 -17.061 8.388 10.649
158 HD2 ARG 21 HD2 ARG 21 -15.021 9.600 10.255
159 HD3 ARG 21 HD3 ARG 21 -16.147 10.167 9.038
160 HE ARG 21 HE ARG 21 -16.092 12.288 10.019
161 HH11 ARG 21 HH22 ARG 21 -14.913 9.925 12.381
162 HH12 ARG 21 HH21 ARG 21 -14.451 11.127 13.538
163 HH21 ARG 21 HH11 ARG 21 -14.794 13.444 13.026
164 H ALA 22 H ALA 22 -21.472 10.566 9.854
165 HA ALA 22 HA ALA 22 -21.880 12.654 11.671
166 HB1 ALA 22 HB1 ALA 22 -23.652 13.273 10.222
167 HB2 ALA 22 HB2 ALA 22 -22.472 12.460 9.167
168 HB3 ALA 22 HB3 ALA 22 -23.929 11.593 9.705
169 H VAL 23 H VAL 23 -23.507 9.468 11.177
170 HA VAL 23 HA VAL 23 -25.588 9.841 12.957
171 HB VAL 23 HB VAL 23 -24.043 7.353 12.204
172 HG11 VAL 23 HG11 VAL 23 -26.881 7.393 13.235
173 HG12 VAL 23 HG12 VAL 23 -25.754 6.022 13.098
174 HG13 VAL 23 HG13 VAL 23 -25.493 7.268 14.342
175 HG21 VAL 23 HG21 VAL 23 -25.824 6.993 10.571
176 HG22 VAL 23 HG22 VAL 23 -26.631 8.492 11.093
177 HG23 VAL 23 HG23 VAL 23 -25.039 8.568 10.299
178 H LEU 24 H LEU 24 -22.135 9.284 13.490
179 HA LEU 24 HA LEU 24 -22.609 8.710 16.301
180 HB2 LEU 24 HB2 LEU 24 -19.972 8.910 14.855
181 HB3 LEU 24 HB3 LEU 24 -20.294 8.173 16.412
182 HG LEU 24 HG LEU 24 -21.333 7.153 13.754
183 HD11 LEU 24 HD11 LEU 24 -18.796 7.029 14.273
184 HD12 LEU 24 HD12 LEU 24 -19.264 5.768 15.439
185 HD13 LEU 24 HD13 LEU 24 -19.642 5.567 13.712
186 HD21 LEU 24 HD21 LEU 24 -21.461 5.109 15.637
187 HD22 LEU 24 HD22 LEU 24 -22.052 6.546 16.503
188 HD23 LEU 24 HD23 LEU 24 -22.823 6.047 14.979
189 H GLY 25 H GLY 25 -21.826 11.336 14.109
190 HA2 GLY 25 HA2 GLY 25 -21.706 13.148 16.409
191 HA3 GLY 25 HA3 GLY 25 -20.351 13.144 15.296
192 H GLY 26 H GLY 26 -20.452 14.471 13.527
193 HA2 GLY 26 HA2 GLY 26 -22.046 14.986 11.622
194 HA3 GLY 26 HA3 GLY 26 -23.096 15.615 12.876
195 H SER 27 H SER 27 -20.186 16.149 10.960
196 HA SER 27 HA SER 27 -20.276 18.903 11.707
197 HB2 SER 27 HB2 SER 27 -17.706 18.868 12.121
198 HB3 SER 27 HB3 SER 27 -18.760 18.357 13.423
199 HG SER 27 HG SER 27 -18.394 16.117 12.723
200 H ARG 28 H ARG 28 -18.152 19.977 10.443
201 HA ARG 28 HA ARG 28 -17.339 20.488 8.508
202 HB2 ARG 28 HB2 ARG 28 -17.292 17.455 8.237
203 HB3 ARG 28 HB3 ARG 28 -16.696 18.476 6.944
204 HG2 ARG 28 HG2 ARG 28 -15.680 19.182 9.659
205 HG3 ARG 28 HG3 ARG 28 -15.171 17.611 9.072
206 HD2 ARG 28 HD2 ARG 28 -13.719 18.542 7.585
207 HD3 ARG 28 HD3 ARG 28 -14.953 19.604 6.939
208 HE ARG 28 HE ARG 28 -14.283 21.310 8.446
209 HH11 ARG 28 HH22 ARG 28 -12.568 18.291 9.148
210 HH12 ARG 28 HH21 ARG 28 -11.414 19.044 10.196
211 HH21 ARG 28 HH11 ARG 28 -11.546 21.407 10.582
212 H ASP 29 H ASP 29 -18.699 21.613 7.146
213 HA ASP 29 HA ASP 29 -20.723 20.023 5.772
214 HB2 ASP 29 HB2 ASP 29 -20.824 22.655 7.163
215 HB3 ASP 29 HB3 ASP 29 -21.595 22.652 5.589
216 HD2 ASP 29 HD2 ASP 29 -22.839 19.814 6.060
217 H TYR 30 H TYR 30 -18.689 23.045 5.676
218 HA TYR 30 HA TYR 30 -18.652 22.828 2.746
219 HB2 TYR 30 HB2 TYR 30 -18.899 24.939 4.796
220 HB3 TYR 30 HB3 TYR 30 -17.511 25.271 3.781
221 HD1 TYR 30 HD2 TYR 30 -21.147 24.395 3.525
222 HD2 TYR 30 HD1 TYR 30 -17.809 26.413 1.767
223 HE1 TYR 30 HE2 TYR 30 -22.673 25.389 1.750
224 HE2 TYR 30 HE1 TYR 30 -19.346 27.399 -0.002
225 HH TYR 30 HH TYR 30 -22.744 27.252 0.279
226 H ASN 31 H ASN 31 -16.845 22.104 5.525
227 HA ASN 31 HA ASN 31 -14.797 21.425 5.788
228 HB2 ASN 31 HB2 ASN 31 -15.049 20.603 3.334
229 HB3 ASN 31 HB3 ASN 31 -14.180 22.050 2.860
230 HD21 ASN 31 HD21 ASN 31 -12.163 21.637 2.425
231 HD22 ASN 31 HD22 ASN 31 -11.092 20.578 3.282
232 H LYS 32 H LYS 32 -15.329 23.998 6.569
233 HA LYS 32 HA LYS 32 -13.282 25.711 5.391
234 HB2 LYS 32 HB2 LYS 32 -14.427 27.538 6.378
235 HB3 LYS 32 HB3 LYS 32 -15.650 26.513 5.655
236 HG2 LYS 32 HG2 LYS 32 -16.639 26.789 7.726
237 HG3 LYS 32 HG3 LYS 32 -15.650 25.394 8.109
238 HD2 LYS 32 HD2 LYS 32 -14.350 26.580 9.557
239 HD3 LYS 32 HD3 LYS 32 -14.124 27.886 8.410
240 HE2 LYS 32 HE2 LYS 32 -16.743 28.323 9.075
241 HE3 LYS 32 HE3 LYS 32 -16.186 27.585 10.565
242 HZ1 LYS 32 HZ1 LYS 32 -15.834 30.189 9.935
243 HZ2 LYS 32 HZ2 LYS 32 -14.940 29.400 11.044
Start of MODEL 12
1 H1 ARG 1 H ARG 1 -4.097 6.235 5.875
2 HA ARG 1 HA ARG 1 -5.264 5.794 3.575
3 HB2 ARG 1 HB2 ARG 1 -2.498 5.160 3.169
4 HB3 ARG 1 HB3 ARG 1 -3.348 3.628 3.192
5 HG2 ARG 1 HG2 ARG 1 -4.546 4.093 1.262
6 HG3 ARG 1 HG3 ARG 1 -4.656 5.807 1.611
7 HD2 ARG 1 HD2 ARG 1 -3.086 5.994 -0.058
8 HD3 ARG 1 HD3 ARG 1 -1.954 5.600 1.220
9 HE ARG 1 HE ARG 1 -1.540 3.583 0.135
10 HH11 ARG 1 HH22 ARG 1 -4.787 4.671 -0.777
11 HH12 ARG 1 HH21 ARG 1 -5.054 3.355 -1.872
12 HH21 ARG 1 HH11 ARG 1 -3.339 1.708 -2.171
13 H ARG 2 H ARG 2 -3.229 3.982 5.964
14 HA ARG 2 HA ARG 2 -3.600 2.200 7.148
15 HB2 ARG 2 HB2 ARG 2 -5.491 4.110 7.837
16 HB3 ARG 2 HB3 ARG 2 -6.514 2.716 7.550
17 HG2 ARG 2 HG2 ARG 2 -5.203 1.365 9.148
18 HG3 ARG 2 HG3 ARG 2 -4.056 2.673 9.363
19 HD2 ARG 2 HD2 ARG 2 -5.362 3.294 11.133
20 HD3 ARG 2 HD3 ARG 2 -6.448 3.957 9.927
21 HE ARG 2 HE ARG 2 -7.213 1.305 10.040
22 HH11 ARG 2 HH22 ARG 2 -6.801 3.813 12.508
23 HH12 ARG 2 HH21 ARG 2 -8.007 3.152 13.559
24 HH21 ARG 2 HH11 ARG 2 -9.173 1.164 12.904
25 H SER 3 H SER 3 -4.139 1.934 4.217
26 HA SER 3 HA SER 3 -6.273 -0.036 4.254
27 HB2 SER 3 HB2 SER 3 -5.020 0.550 1.646
28 HB3 SER 3 HB3 SER 3 -6.715 0.550 2.096
29 HG SER 3 HG SER 3 -6.136 2.684 1.573
30 H ARG 4 H ARG 4 -2.843 0.329 4.345
31 HA ARG 4 HA ARG 4 -2.221 -2.012 2.896
32 HB2 ARG 4 HB2 ARG 4 -0.619 -0.299 4.856
33 HB3 ARG 4 HB3 ARG 4 0.074 -1.668 4.009
34 HG2 ARG 4 HG2 ARG 4 -0.255 -0.636 1.852
35 HG3 ARG 4 HG3 ARG 4 -1.324 0.585 2.512
36 HD2 ARG 4 HD2 ARG 4 0.735 1.740 2.251
37 HD3 ARG 4 HD3 ARG 4 0.708 1.343 3.959
38 HE ARG 4 HE ARG 4 2.485 -0.162 3.631
39 HH11 ARG 4 HH22 ARG 4 1.149 0.777 0.486
40 HH12 ARG 4 HH21 ARG 4 2.428 0.039 -0.417
41 HH21 ARG 4 HH11 ARG 4 4.196 -1.081 0.752
42 H LYS 5 H LYS 5 -3.686 -1.469 5.901
43 HA LYS 5 HA LYS 5 -2.452 -3.784 7.171
44 HB2 LYS 5 HB2 LYS 5 -4.533 -1.919 8.331
45 HB3 LYS 5 HB3 LYS 5 -3.498 -3.042 9.188
46 HG2 LYS 5 HG2 LYS 5 -2.358 -0.769 7.510
47 HG3 LYS 5 HG3 LYS 5 -2.794 -0.545 9.192
48 HD2 LYS 5 HD2 LYS 5 -1.301 -2.830 9.409
49 HD3 LYS 5 HD3 LYS 5 -0.534 -2.114 8.006
50 HE2 LYS 5 HE2 LYS 5 -0.118 -0.016 9.249
51 HE3 LYS 5 HE3 LYS 5 -0.997 -0.628 10.636
52 HZ1 LYS 5 HZ1 LYS 5 1.703 -1.140 9.905
53 HZ2 LYS 5 HZ2 LYS 5 0.954 -1.485 11.309
54 H ASN 6 H ASN 6 -5.566 -2.564 5.848
55 HA ASN 6 HA ASN 6 -6.673 -5.203 6.329
56 HB2 ASN 6 HB2 ASN 6 -7.841 -2.456 5.799
57 HB3 ASN 6 HB3 ASN 6 -8.800 -3.860 5.373
58 HD21 ASN 6 HD21 ASN 6 -7.242 -2.085 7.943
59 HD22 ASN 6 HD22 ASN 6 -8.073 -2.802 9.283
60 H GLY 7 H GLY 7 -7.653 -2.822 3.811
61 HA2 GLY 7 HA2 GLY 7 -7.146 -2.830 1.544
62 HA3 GLY 7 HA3 GLY 7 -6.438 -4.426 1.687
63 H ILE 8 H ILE 8 -8.932 -2.874 0.256
64 HA ILE 8 HA ILE 8 -10.643 -3.786 -0.879
65 HB ILE 8 HB ILE 8 -9.458 -6.067 -0.023
66 HG12 ILE 8 HG12 ILE 8 -11.408 -7.185 -1.362
67 HG13 ILE 8 HG13 ILE 8 -11.939 -5.539 -1.640
68 HG21 ILE 8 HG21 ILE 8 -12.269 -6.557 0.857
69 HG22 ILE 8 HG22 ILE 8 -10.762 -7.397 1.296
70 HG23 ILE 8 HG23 ILE 8 -11.135 -5.809 2.006
71 HD11 ILE 8 HD11 ILE 8 -9.029 -6.186 -2.101
72 HD12 ILE 8 HD12 ILE 8 -10.225 -6.718 -3.306
73 HD13 ILE 8 HD13 ILE 8 -10.063 -4.990 -2.917
74 H GLY 9 H GLY 9 -10.318 -3.120 2.455
75 HA2 GLY 9 HA2 GLY 9 -13.251 -2.928 2.778
76 HA3 GLY 9 HA3 GLY 9 -12.098 -3.141 4.081
77 H TYR 10 H TYR 10 -10.381 -1.151 2.142
78 HA TYR 10 HA TYR 10 -10.912 1.133 3.735
79 HB2 TYR 10 HB2 TYR 10 -8.942 1.857 2.623
80 HB3 TYR 10 HB3 TYR 10 -8.810 0.135 2.330
81 HD1 TYR 10 HD1 TYR 10 -10.305 3.209 0.783
82 HD2 TYR 10 HD2 TYR 10 -8.492 -0.613 0.148
83 HE1 TYR 10 HE1 TYR 10 -10.277 3.631 -1.723
84 HE2 TYR 10 HE2 TYR 10 -8.471 -0.179 -2.357
85 HH TYR 10 HH TYR 10 -9.153 2.932 -3.652
86 H ALA 11 H ALA 11 -11.686 0.164 0.345
87 HA ALA 11 HA ALA 11 -12.662 2.617 -0.506
88 HB1 ALA 11 HB1 ALA 11 -13.835 1.253 -2.217
89 HB2 ALA 11 HB2 ALA 11 -12.148 0.731 -1.992
90 HB3 ALA 11 HB3 ALA 11 -13.476 -0.215 -1.277
91 H ILE 12 H ILE 12 -14.493 -0.246 0.800
92 HA ILE 12 HA ILE 12 -16.932 1.120 0.913
93 HB ILE 12 HB ILE 12 -16.984 -1.212 0.844
94 HG12 ILE 12 HG12 ILE 12 -18.262 -1.850 2.829
95 HG13 ILE 12 HG13 ILE 12 -17.650 -0.461 3.705
96 HG21 ILE 12 HG21 ILE 12 -15.972 -2.466 2.956
97 HG22 ILE 12 HG22 ILE 12 -14.997 -2.097 1.514
98 HG23 ILE 12 HG23 ILE 12 -14.884 -1.057 2.954
99 HD11 ILE 12 HD11 ILE 12 -19.901 0.013 2.811
100 HD12 ILE 12 HD12 ILE 12 -18.697 1.065 2.028
101 HD13 ILE 12 HD13 ILE 12 -19.337 -0.352 1.162
102 H GLY 13 H GLY 13 -14.133 0.936 3.096
103 HA2 GLY 13 HA2 GLY 13 -15.458 1.962 5.397
104 HA3 GLY 13 HA3 GLY 13 -13.731 1.866 5.112
105 H TYR 14 H TYR 14 -13.944 3.381 2.492
106 HA TYR 14 HA TYR 14 -13.670 5.983 3.624
107 HB2 TYR 14 HB2 TYR 14 -12.254 5.410 1.760
108 HB3 TYR 14 HB3 TYR 14 -13.543 4.562 0.931
109 HD1 TYR 14 HD2 TYR 14 -15.316 5.862 -0.282
110 HD2 TYR 14 HD1 TYR 14 -11.860 7.749 1.394
111 HE1 TYR 14 HE2 TYR 14 -15.725 7.913 -1.727
112 HE2 TYR 14 HE1 TYR 14 -12.283 9.793 -0.057
113 HH TYR 14 HH TYR 14 -13.816 10.827 -1.304
114 H ALA 15 H ALA 15 -16.006 4.404 1.341
115 HA ALA 15 HA ALA 15 -17.578 6.751 1.089
116 HB1 ALA 15 HB1 ALA 15 -17.353 4.208 -0.132
117 HB2 ALA 15 HB2 ALA 15 -19.004 4.288 0.529
118 HB3 ALA 15 HB3 ALA 15 -18.436 5.540 -0.600
119 H PHE 16 H PHE 16 -17.925 3.648 2.939
120 HA PHE 16 HA PHE 16 -20.325 4.432 4.175
121 HB2 PHE 16 HB2 PHE 16 -19.204 2.094 3.851
122 HB3 PHE 16 HB3 PHE 16 -18.129 2.524 5.167
123 HD1 PHE 16 HD2 PHE 16 -21.029 4.072 6.083
124 HD2 PHE 16 HD1 PHE 16 -19.461 0.154 5.644
125 HE1 PHE 16 HE2 PHE 16 -22.710 3.214 7.737
126 HE2 PHE 16 HE1 PHE 16 -21.142 -0.704 7.299
127 HZ PHE 16 HZ PHE 16 -22.747 0.836 8.326
128 H GLY 17 H GLY 17 -16.906 4.271 5.411
129 HA2 GLY 17 HA2 GLY 17 -17.406 5.314 7.940
130 HA3 GLY 17 HA3 GLY 17 -15.882 5.374 7.077
131 H ALA 18 H ALA 18 -17.343 6.872 4.770
132 HA ALA 18 HA ALA 18 -16.678 9.464 5.675
133 HB1 ALA 18 HB1 ALA 18 -17.778 8.184 3.199
134 HB2 ALA 18 HB2 ALA 18 -17.988 9.942 3.388
135 HB3 ALA 18 HB3 ALA 18 -16.355 9.234 3.405
136 H VAL 19 H VAL 19 -19.817 7.806 4.917
137 HA VAL 19 HA VAL 19 -21.365 10.036 5.716
138 HB VAL 19 HB VAL 19 -23.227 8.403 5.597
139 HG11 VAL 19 HG11 VAL 19 -22.412 7.655 3.090
140 HG12 VAL 19 HG12 VAL 19 -23.090 9.246 3.511
141 HG13 VAL 19 HG13 VAL 19 -21.326 9.026 3.429
142 HG21 VAL 19 HG21 VAL 19 -21.791 6.454 6.397
143 HG22 VAL 19 HG22 VAL 19 -22.906 6.120 5.050
144 HG23 VAL 19 HG23 VAL 19 -21.170 6.357 4.732
145 H GLU 20 H GLU 20 -19.993 7.171 7.344
146 HA GLU 20 HA GLU 20 -21.567 7.461 9.653
147 HB2 GLU 20 HB2 GLU 20 -18.894 6.051 9.229
148 HB3 GLU 20 HB3 GLU 20 -19.895 5.874 10.656
149 HG2 GLU 20 HG2 GLU 20 -21.449 5.454 8.193
150 HG3 GLU 20 HG3 GLU 20 -20.078 4.365 8.279
151 HE2 GLU 20 HE2 GLU 20 -22.968 4.885 10.779
152 H ARG 21 H ARG 21 -18.502 8.845 8.491
153 HA ARG 21 HA ARG 21 -17.411 9.635 10.848
154 HB2 ARG 21 HB2 ARG 21 -17.188 10.358 8.015
155 HB3 ARG 21 HB3 ARG 21 -16.961 11.774 9.023
156 HG2 ARG 21 HG2 ARG 21 -15.216 10.591 10.338
157 HG3 ARG 21 HG3 ARG 21 -15.473 9.133 9.400
158 HD2 ARG 21 HD2 ARG 21 -13.490 10.672 8.707
159 HD3 ARG 21 HD3 ARG 21 -14.529 10.070 7.430
160 HE ARG 21 HE ARG 21 -15.182 12.265 6.993
161 HH11 ARG 21 HH22 ARG 21 -13.963 12.113 10.317
162 HH12 ARG 21 HH21 ARG 21 -14.097 13.821 10.576
163 HH21 ARG 21 HH11 ARG 21 -14.920 15.215 8.809
164 H ALA 22 H ALA 22 -20.073 11.086 8.929
165 HA ALA 22 HA ALA 22 -20.186 13.522 10.337
166 HB1 ALA 22 HB1 ALA 22 -21.186 12.795 8.038
167 HB2 ALA 22 HB2 ALA 22 -22.549 12.186 9.005
168 HB3 ALA 22 HB3 ALA 22 -22.119 13.912 9.062
169 H VAL 23 H VAL 23 -21.754 10.302 10.747
170 HA VAL 23 HA VAL 23 -23.556 11.028 12.723
171 HB VAL 23 HB VAL 23 -22.079 8.416 12.336
172 HG11 VAL 23 HG11 VAL 23 -23.372 7.500 13.918
173 HG12 VAL 23 HG12 VAL 23 -23.786 9.160 14.406
174 HG13 VAL 23 HG13 VAL 23 -24.840 8.276 13.277
175 HG21 VAL 23 HG21 VAL 23 -24.541 9.575 11.016
176 HG22 VAL 23 HG22 VAL 23 -23.076 8.909 10.255
177 HG23 VAL 23 HG23 VAL 23 -24.227 7.823 11.071
178 H LEU 24 H LEU 24 -20.050 10.602 12.788
179 HA LEU 24 HA LEU 24 -19.942 10.353 15.643
180 HB2 LEU 24 HB2 LEU 24 -17.734 10.934 13.667
181 HB3 LEU 24 HB3 LEU 24 -17.546 10.416 15.331
182 HG LEU 24 HG LEU 24 -18.638 8.809 13.012
183 HD11 LEU 24 HD11 LEU 24 -16.546 8.112 12.795
184 HD12 LEU 24 HD12 LEU 24 -16.038 9.120 14.171
185 HD13 LEU 24 HD13 LEU 24 -16.604 7.457 14.449
186 HD21 LEU 24 HD21 LEU 24 -18.700 8.187 15.969
187 HD22 LEU 24 HD22 LEU 24 -20.053 8.214 14.813
188 HD23 LEU 24 HD23 LEU 24 -18.817 6.937 14.707
189 H GLY 25 H GLY 25 -19.391 12.926 13.169
190 HA2 GLY 25 HA2 GLY 25 -18.784 14.894 15.198
191 HA3 GLY 25 HA3 GLY 25 -18.903 15.135 13.467
192 H GLY 26 H GLY 26 -20.890 15.734 12.503
193 HA2 GLY 26 HA2 GLY 26 -23.330 15.693 14.038
194 HA3 GLY 26 HA3 GLY 26 -22.640 17.295 13.864
195 H SER 27 H SER 27 -22.486 18.294 11.767
196 HA SER 27 HA SER 27 -23.584 16.776 9.575
197 HB2 SER 27 HB2 SER 27 -25.299 18.361 11.034
198 HB3 SER 27 HB3 SER 27 -24.743 19.510 9.833
199 HG SER 27 HG SER 27 -26.080 16.988 9.405
200 H ARG 28 H ARG 28 -23.959 19.242 7.943
201 HA ARG 28 HA ARG 28 -22.818 20.473 6.583
202 HB2 ARG 28 HB2 ARG 28 -20.887 20.964 8.905
203 HB3 ARG 28 HB3 ARG 28 -21.094 21.997 7.505
204 HG2 ARG 28 HG2 ARG 28 -23.461 21.339 9.290
205 HG3 ARG 28 HG3 ARG 28 -22.342 22.612 9.737
206 HD2 ARG 28 HD2 ARG 28 -22.820 23.877 7.729
207 HD3 ARG 28 HD3 ARG 28 -23.650 22.526 6.984
208 HE ARG 28 HE ARG 28 -25.176 22.875 9.205
209 HH11 ARG 28 HH22 ARG 28 -23.926 25.248 6.890
210 HH12 ARG 28 HH21 ARG 28 -25.243 26.349 7.119
211 HH21 ARG 28 HH11 ARG 28 -26.987 25.789 8.664
212 H ASP 29 H ASP 29 -20.217 20.999 5.902
213 HA ASP 29 HA ASP 29 -18.814 18.470 6.054
214 HB2 ASP 29 HB2 ASP 29 -19.799 19.879 3.569
215 HB3 ASP 29 HB3 ASP 29 -18.256 19.053 3.489
216 HD2 ASP 29 HD2 ASP 29 -21.299 16.648 4.439
217 H TYR 30 H TYR 30 -18.849 21.845 4.673
218 HA TYR 30 HA TYR 30 -16.102 22.164 5.675
219 HB2 TYR 30 HB2 TYR 30 -15.920 22.042 3.270
220 HB3 TYR 30 HB3 TYR 30 -17.500 22.759 3.030
221 HD1 TYR 30 HD2 TYR 30 -13.948 23.452 3.713
222 HD2 TYR 30 HD1 TYR 30 -17.798 25.178 3.002
223 HE1 TYR 30 HE2 TYR 30 -12.866 25.715 3.305
224 HE2 TYR 30 HE1 TYR 30 -16.702 27.436 2.598
225 HH TYR 30 HH TYR 30 -14.320 28.468 3.504
226 H ASN 31 H ASN 31 -15.502 24.427 6.165
227 HA ASN 31 HA ASN 31 -17.015 26.593 6.027
228 HB2 ASN 31 HB2 ASN 31 -18.042 26.590 8.473
229 HB3 ASN 31 HB3 ASN 31 -18.933 25.826 7.173
230 HD21 ASN 31 HD21 ASN 31 -19.935 24.170 8.052
231 HD22 ASN 31 HD22 ASN 31 -19.220 22.902 8.990
232 H LYS 32 H LYS 32 -14.370 26.335 6.063
233 HA LYS 32 HA LYS 32 -13.463 27.915 8.152
234 HB2 LYS 32 HB2 LYS 32 -13.573 26.243 9.748
235 HB3 LYS 32 HB3 LYS 32 -13.192 24.965 8.610
236 HG2 LYS 32 HG2 LYS 32 -11.233 25.292 9.993
237 HG3 LYS 32 HG3 LYS 32 -10.850 25.920 8.402
238 HD2 LYS 32 HD2 LYS 32 -11.911 28.169 9.599
239 HD3 LYS 32 HD3 LYS 32 -11.188 27.375 10.983
240 HE2 LYS 32 HE2 LYS 32 -9.072 27.098 9.435
241 HE3 LYS 32 HE3 LYS 32 -9.826 28.329 8.440
242 HZ1 LYS 32 HZ1 LYS 32 -8.328 29.268 10.150
243 HZ2 LYS 32 HZ2 LYS 32 -9.848 29.818 10.345
Start of MODEL 13
1 H1 ARG 1 H ARG 1 -1.013 1.131 -3.512
2 HA ARG 1 HA ARG 1 -1.088 -0.455 -1.183
3 HB2 ARG 1 HB2 ARG 1 0.822 1.216 -2.593
4 HB3 ARG 1 HB3 ARG 1 0.821 1.685 -0.904
5 HG2 ARG 1 HG2 ARG 1 2.432 -0.074 -1.050
6 HG3 ARG 1 HG3 ARG 1 1.019 -0.819 -0.330
7 HD2 ARG 1 HD2 ARG 1 0.497 -2.044 -2.261
8 HD3 ARG 1 HD3 ARG 1 1.235 -0.874 -3.338
9 HE ARG 1 HE ARG 1 2.548 -3.147 -2.135
10 HH11 ARG 1 HH22 ARG 1 3.152 0.205 -3.109
11 HH12 ARG 1 HH21 ARG 1 4.852 -0.038 -3.342
12 HH21 ARG 1 HH11 ARG 1 5.792 -2.206 -2.945
13 H ARG 2 H ARG 2 -0.257 1.069 0.947
14 HA ARG 2 HA ARG 2 -0.882 2.412 2.520
15 HB2 ARG 2 HB2 ARG 2 -0.671 4.167 0.615
16 HB3 ARG 2 HB3 ARG 2 -2.419 4.110 0.499
17 HG2 ARG 2 HG2 ARG 2 -1.606 4.401 3.293
18 HG3 ARG 2 HG3 ARG 2 -0.860 5.650 2.316
19 HD2 ARG 2 HD2 ARG 2 -3.350 5.810 1.276
20 HD3 ARG 2 HD3 ARG 2 -3.786 5.138 2.834
21 HE ARG 2 HE ARG 2 -3.187 7.161 3.865
22 HH11 ARG 2 HH22 ARG 2 -1.903 7.115 0.563
23 HH12 ARG 2 HH21 ARG 2 -1.415 8.777 0.597
24 HH21 ARG 2 HH11 ARG 2 -1.799 10.072 2.576
25 H SER 3 H SER 3 -2.270 0.861 3.542
26 HA SER 3 HA SER 3 -4.128 0.173 4.435
27 HB2 SER 3 HB2 SER 3 -4.694 2.843 3.940
28 HB3 SER 3 HB3 SER 3 -6.026 2.043 3.129
29 HG SER 3 HG SER 3 -5.810 2.531 5.734
30 H ARG 4 H ARG 4 -3.233 -0.274 1.440
31 HA ARG 4 HA ARG 4 -5.772 -1.255 0.451
32 HB2 ARG 4 HB2 ARG 4 -3.759 0.121 -0.840
33 HB3 ARG 4 HB3 ARG 4 -3.311 -1.526 -1.232
34 HG2 ARG 4 HG2 ARG 4 -6.014 -1.640 -1.709
35 HG3 ARG 4 HG3 ARG 4 -5.708 0.045 -2.085
36 HD2 ARG 4 HD2 ARG 4 -4.397 -0.453 -3.935
37 HD3 ARG 4 HD3 ARG 4 -3.737 -1.908 -3.216
38 HE ARG 4 HE ARG 4 -6.549 -2.280 -3.706
39 HH11 ARG 4 HH22 ARG 4 -3.464 -2.080 -5.437
40 HH12 ARG 4 HH21 ARG 4 -4.002 -3.056 -6.761
41 HH21 ARG 4 HH11 ARG 4 -6.237 -3.921 -6.750
42 H LYS 5 H LYS 5 -3.037 -2.264 2.203
43 HA LYS 5 HA LYS 5 -2.639 -4.817 1.039
44 HB2 LYS 5 HB2 LYS 5 -1.208 -5.228 2.923
45 HB3 LYS 5 HB3 LYS 5 -0.933 -3.593 2.355
46 HG2 LYS 5 HG2 LYS 5 -2.410 -2.699 4.146
47 HG3 LYS 5 HG3 LYS 5 -2.759 -4.327 4.694
48 HD2 LYS 5 HD2 LYS 5 -0.956 -4.167 6.063
49 HD3 LYS 5 HD3 LYS 5 0.058 -4.230 4.636
50 HE2 LYS 5 HE2 LYS 5 0.668 -2.236 5.888
51 HE3 LYS 5 HE3 LYS 5 -0.147 -1.717 4.426
52 HZ1 LYS 5 HZ1 LYS 5 -0.929 -1.248 7.097
53 HZ2 LYS 5 HZ2 LYS 5 -1.610 -0.659 5.739
54 H ASN 6 H ASN 6 -4.902 -3.418 3.373
55 HA ASN 6 HA ASN 6 -5.637 -5.737 4.658
56 HB2 ASN 6 HB2 ASN 6 -6.930 -3.069 4.098
57 HB3 ASN 6 HB3 ASN 6 -7.980 -4.347 4.677
58 HD21 ASN 6 HD21 ASN 6 -6.746 -1.782 5.799
59 HD22 ASN 6 HD22 ASN 6 -6.138 -2.226 7.360
60 H GLY 7 H GLY 7 -8.040 -4.038 2.583
61 HA2 GLY 7 HA2 GLY 7 -9.152 -4.730 0.711
62 HA3 GLY 7 HA3 GLY 7 -8.238 -6.224 0.696
63 H ILE 8 H ILE 8 -11.301 -5.245 0.808
64 HA ILE 8 HA ILE 8 -13.125 -6.472 1.275
65 HB ILE 8 HB ILE 8 -11.233 -8.333 1.813
66 HG12 ILE 8 HG12 ILE 8 -13.324 -9.818 2.339
67 HG13 ILE 8 HG13 ILE 8 -14.235 -8.361 1.996
68 HG21 ILE 8 HG21 ILE 8 -12.840 -8.456 4.328
69 HG22 ILE 8 HG22 ILE 8 -11.227 -9.113 3.961
70 HG23 ILE 8 HG23 ILE 8 -11.429 -7.372 4.271
71 HD11 ILE 8 HD11 ILE 8 -12.981 -10.187 0.132
72 HD12 ILE 8 HD12 ILE 8 -14.034 -8.796 -0.214
73 HD13 ILE 8 HD13 ILE 8 -12.275 -8.567 -0.071
74 H GLY 9 H GLY 9 -11.067 -4.705 3.352
75 HA2 GLY 9 HA2 GLY 9 -13.201 -4.410 5.373
76 HA3 GLY 9 HA3 GLY 9 -11.496 -4.099 5.628
77 H TYR 10 H TYR 10 -11.740 -2.948 2.607
78 HA TYR 10 HA TYR 10 -11.849 -0.245 3.452
79 HB2 TYR 10 HB2 TYR 10 -11.086 0.054 1.223
80 HB3 TYR 10 HB3 TYR 10 -10.708 -1.646 1.422
81 HD1 TYR 10 HD2 TYR 10 -13.526 0.564 0.299
82 HD2 TYR 10 HD1 TYR 10 -11.477 -3.163 -0.170
83 HE1 TYR 10 HE2 TYR 10 -14.999 -0.004 -1.694
84 HE2 TYR 10 HE1 TYR 10 -12.957 -3.718 -2.161
85 HH TYR 10 HH TYR 10 -15.448 -2.923 -2.828
86 H ALA 11 H ALA 11 -14.113 -2.473 1.748
87 HA ALA 11 HA ALA 11 -15.970 -0.589 0.942
88 HB1 ALA 11 HB1 ALA 11 -15.749 -3.128 0.448
89 HB2 ALA 11 HB2 ALA 11 -16.692 -3.356 1.940
90 HB3 ALA 11 HB3 ALA 11 -17.387 -2.442 0.579
91 H ILE 12 H ILE 12 -15.919 -2.585 3.984
92 HA ILE 12 HA ILE 12 -18.122 -1.227 5.099
93 HB ILE 12 HB ILE 12 -17.682 -3.410 5.827
94 HG12 ILE 12 HG12 ILE 12 -17.478 -3.183 8.250
95 HG13 ILE 12 HG13 ILE 12 -16.790 -1.580 8.074
96 HG21 ILE 12 HG21 ILE 12 -14.857 -2.461 6.187
97 HG22 ILE 12 HG22 ILE 12 -15.463 -3.842 7.133
98 HG23 ILE 12 HG23 ILE 12 -15.480 -3.906 5.354
99 HD11 ILE 12 HD11 ILE 12 -19.407 -1.926 8.517
100 HD12 ILE 12 HD12 ILE 12 -18.820 -0.610 7.473
101 HD13 ILE 12 HD13 ILE 12 -19.443 -2.111 6.747
102 H GLY 13 H GLY 13 -14.615 -0.643 5.013
103 HA2 GLY 13 HA2 GLY 13 -14.534 1.225 7.149
104 HA3 GLY 13 HA3 GLY 13 -13.341 0.998 5.886
105 H TYR 14 H TYR 14 -15.436 1.386 3.705
106 HA TYR 14 HA TYR 14 -15.135 4.215 3.511
107 HB2 TYR 14 HB2 TYR 14 -15.048 2.923 1.476
108 HB3 TYR 14 HB3 TYR 14 -16.349 1.867 1.990
109 HD1 TYR 14 HD2 TYR 14 -15.614 5.303 0.756
110 HD2 TYR 14 HD1 TYR 14 -18.597 2.296 1.361
111 HE1 TYR 14 HE2 TYR 14 -17.267 6.654 -0.625
112 HE2 TYR 14 HE1 TYR 14 -20.240 3.657 -0.022
113 HH TYR 14 HH TYR 14 -20.491 5.370 -1.341
114 H ALA 15 H ALA 15 -17.909 1.938 3.998
115 HA ALA 15 HA ALA 15 -19.827 4.028 4.051
116 HB1 ALA 15 HB1 ALA 15 -20.035 1.446 3.571
117 HB2 ALA 15 HB2 ALA 15 -20.219 1.327 5.337
118 HB3 ALA 15 HB3 ALA 15 -21.364 2.305 4.387
119 H PHE 16 H PHE 16 -18.206 2.003 6.592
120 HA PHE 16 HA PHE 16 -19.457 3.365 8.718
121 HB2 PHE 16 HB2 PHE 16 -18.155 1.030 8.441
122 HB3 PHE 16 HB3 PHE 16 -16.730 1.987 8.793
123 HD1 PHE 16 HD1 PHE 16 -18.445 3.863 10.718
124 HD2 PHE 16 HD2 PHE 16 -17.766 -0.317 10.444
125 HE1 PHE 16 HE1 PHE 16 -18.895 3.628 13.176
126 HE2 PHE 16 HE2 PHE 16 -18.216 -0.552 12.902
127 HZ PHE 16 HZ PHE 16 -18.775 1.424 14.239
128 H GLY 17 H GLY 17 -16.070 3.489 7.392
129 HA2 GLY 17 HA2 GLY 17 -15.101 5.481 9.063
130 HA3 GLY 17 HA3 GLY 17 -14.518 5.111 7.452
131 H ALA 18 H ALA 18 -17.355 5.655 6.337
132 HA ALA 18 HA ALA 18 -16.885 8.351 5.663
133 HB1 ALA 18 HB1 ALA 18 -18.989 6.272 5.163
134 HB2 ALA 18 HB2 ALA 18 -19.394 7.972 4.827
135 HB3 ALA 18 HB3 ALA 18 -18.012 7.207 4.006
136 H VAL 19 H VAL 19 -19.362 6.721 7.761
137 HA VAL 19 HA VAL 19 -20.513 9.161 8.589
138 HB VAL 19 HB VAL 19 -21.606 7.737 10.286
139 HG11 VAL 19 HG11 VAL 19 -23.093 7.270 8.691
140 HG12 VAL 19 HG12 VAL 19 -21.852 7.631 7.466
141 HG13 VAL 19 HG13 VAL 19 -22.060 5.965 8.060
142 HG21 VAL 19 HG21 VAL 19 -19.538 6.213 10.504
143 HG22 VAL 19 HG22 VAL 19 -21.145 5.451 10.569
144 HG23 VAL 19 HG23 VAL 19 -20.179 5.364 9.076
145 H GLU 20 H GLU 20 -17.803 7.135 9.723
146 HA GLU 20 HA GLU 20 -17.598 8.403 12.216
147 HB2 GLU 20 HB2 GLU 20 -15.503 6.872 10.611
148 HB3 GLU 20 HB3 GLU 20 -15.362 7.289 12.307
149 HG2 GLU 20 HG2 GLU 20 -17.910 5.920 11.636
150 HG3 GLU 20 HG3 GLU 20 -16.490 4.945 11.314
151 HE2 GLU 20 HE2 GLU 20 -16.696 3.997 14.539
152 H ARG 21 H ARG 21 -16.432 9.114 8.940
153 HA ARG 21 HA ARG 21 -14.330 10.734 9.510
154 HB2 ARG 21 HB2 ARG 21 -16.000 10.143 7.249
155 HB3 ARG 21 HB3 ARG 21 -15.890 11.889 7.340
156 HG2 ARG 21 HG2 ARG 21 -13.886 11.672 6.281
157 HG3 ARG 21 HG3 ARG 21 -13.257 11.127 7.823
158 HD2 ARG 21 HD2 ARG 21 -12.710 9.514 6.007
159 HD3 ARG 21 HD3 ARG 21 -13.723 8.771 7.228
160 HE ARG 21 HE ARG 21 -15.529 9.793 5.356
161 HH11 ARG 21 HH22 ARG 21 -12.818 7.514 5.251
162 HH12 ARG 21 HH21 ARG 21 -13.475 6.600 3.934
163 HH21 ARG 21 HH11 ARG 21 -15.580 7.250 2.989
164 H ALA 22 H ALA 22 -17.863 11.496 9.386
165 HA ALA 22 HA ALA 22 -17.658 14.248 9.709
166 HB1 ALA 22 HB1 ALA 22 -19.908 14.087 9.635
167 HB2 ALA 22 HB2 ALA 22 -19.665 12.336 9.427
168 HB3 ALA 22 HB3 ALA 22 -19.957 13.008 11.050
169 H VAL 23 H VAL 23 -17.586 11.534 12.059
170 HA VAL 23 HA VAL 23 -17.795 13.159 14.349
171 HB VAL 23 HB VAL 23 -16.530 10.432 14.015
172 HG11 VAL 23 HG11 VAL 23 -17.364 12.075 16.378
173 HG12 VAL 23 HG12 VAL 23 -17.560 10.307 16.450
174 HG13 VAL 23 HG13 VAL 23 -15.951 11.013 16.164
175 HG21 VAL 23 HG21 VAL 23 -19.137 10.205 15.081
176 HG22 VAL 23 HG22 VAL 23 -19.266 11.283 13.671
177 HG23 VAL 23 HG23 VAL 23 -18.556 9.662 13.489
178 H LEU 24 H LEU 24 -15.198 12.417 12.093
179 HA LEU 24 HA LEU 24 -13.222 13.447 13.976
180 HB2 LEU 24 HB2 LEU 24 -12.789 12.290 11.224
181 HB3 LEU 24 HB3 LEU 24 -11.576 12.620 12.444
182 HG LEU 24 HG LEU 24 -13.787 10.566 12.724
183 HD11 LEU 24 HD11 LEU 24 -11.334 9.248 12.643
184 HD12 LEU 24 HD12 LEU 24 -12.576 9.285 11.369
185 HD13 LEU 24 HD13 LEU 24 -11.235 10.456 11.339
186 HD21 LEU 24 HD21 LEU 24 -11.724 11.615 14.565
187 HD22 LEU 24 HD22 LEU 24 -13.299 10.858 14.903
188 HD23 LEU 24 HD23 LEU 24 -11.889 9.843 14.514
189 H GLY 25 H GLY 25 -15.514 14.910 12.381
190 HA2 GLY 25 HA2 GLY 25 -13.950 17.264 11.865
191 HA3 GLY 25 HA3 GLY 25 -14.564 16.522 10.402
192 H GLY 26 H GLY 26 -16.609 17.055 9.742
193 HA2 GLY 26 HA2 GLY 26 -18.941 17.234 10.362
194 HA3 GLY 26 HA3 GLY 26 -18.455 18.117 11.795
195 H SER 27 H SER 27 -19.601 18.421 8.620
196 HA SER 27 HA SER 27 -19.462 21.217 8.763
197 HB2 SER 27 HB2 SER 27 -17.939 20.091 6.394
198 HB3 SER 27 HB3 SER 27 -17.996 21.748 6.958
199 HG SER 27 HG SER 27 -16.719 21.190 8.774
200 H ARG 28 H ARG 28 -19.582 21.468 5.735
201 HA ARG 28 HA ARG 28 -21.059 21.418 4.161
202 HB2 ARG 28 HB2 ARG 28 -21.671 18.654 5.309
203 HB3 ARG 28 HB3 ARG 28 -22.416 19.244 3.837
204 HG2 ARG 28 HG2 ARG 28 -20.587 18.222 2.868
205 HG3 ARG 28 HG3 ARG 28 -19.841 19.773 3.196
206 HD2 ARG 28 HD2 ARG 28 -18.257 18.478 4.256
207 HD3 ARG 28 HD3 ARG 28 -19.380 18.571 5.599
208 HE ARG 28 HE ARG 28 -20.010 16.322 5.232
209 HH11 ARG 28 HH22 ARG 28 -17.963 17.458 2.572
210 HH12 ARG 28 HH21 ARG 28 -17.729 15.873 1.912
211 HH21 ARG 28 HH11 ARG 28 -18.760 13.992 2.979
212 H ASP 29 H ASP 29 -21.835 22.873 6.407
213 HA ASP 29 HA ASP 29 -24.701 22.434 6.338
214 HB2 ASP 29 HB2 ASP 29 -22.908 22.395 8.700
215 HB3 ASP 29 HB3 ASP 29 -24.252 23.504 8.878
216 HD2 ASP 29 HD2 ASP 29 -24.632 19.804 9.654
217 H TYR 30 H TYR 30 -22.136 24.596 7.789
218 HA TYR 30 HA TYR 30 -21.862 26.796 7.788
219 HB2 TYR 30 HB2 TYR 30 -23.523 26.706 5.200
220 HB3 TYR 30 HB3 TYR 30 -22.272 27.871 5.588
221 HD1 TYR 30 HD1 TYR 30 -19.849 26.943 5.875
222 HD2 TYR 30 HD2 TYR 30 -23.005 24.798 3.939
223 HE1 TYR 30 HE1 TYR 30 -18.140 25.493 4.677
224 HE2 TYR 30 HE2 TYR 30 -21.284 23.355 2.748
225 HH TYR 30 HH TYR 30 -19.192 22.965 2.407
226 H ASN 31 H ASN 31 -24.006 25.980 9.366
227 HA ASN 31 HA ASN 31 -26.309 27.479 8.664
228 HB2 ASN 31 HB2 ASN 31 -25.972 25.309 10.231
229 HB3 ASN 31 HB3 ASN 31 -25.774 26.516 11.486
230 HD21 ASN 31 HD21 ASN 31 -27.563 26.661 12.597
231 HD22 ASN 31 HD22 ASN 31 -29.178 26.774 11.980
232 H LYS 32 H LYS 32 -25.381 29.677 8.477
233 HA LYS 32 HA LYS 32 -24.847 30.864 11.105
234 HB2 LYS 32 HB2 LYS 32 -23.342 31.427 8.532
235 HB3 LYS 32 HB3 LYS 32 -23.177 32.345 10.015
236 HG2 LYS 32 HG2 LYS 32 -21.688 30.831 10.804
237 HG3 LYS 32 HG3 LYS 32 -22.907 29.575 10.722
238 HD2 LYS 32 HD2 LYS 32 -21.309 28.685 9.276
239 HD3 LYS 32 HD3 LYS 32 -22.309 29.556 8.129
240 HE2 LYS 32 HE2 LYS 32 -20.721 31.572 8.488
241 HE3 LYS 32 HE3 LYS 32 -19.658 30.462 9.331
242 HZ1 LYS 32 HZ1 LYS 32 -18.933 29.736 7.350
243 HZ2 LYS 32 HZ2 LYS 32 -20.428 29.280 6.893
Start of MODEL 14
1 H1 ARG 1 H ARG 1 2.559 0.778 5.695
2 HA ARG 1 HA ARG 1 -0.050 1.407 6.179
3 HB2 ARG 1 HB2 ARG 1 2.327 2.226 7.198
4 HB3 ARG 1 HB3 ARG 1 1.991 3.629 6.203
5 HG2 ARG 1 HG2 ARG 1 -0.467 3.228 7.418
6 HG3 ARG 1 HG3 ARG 1 0.628 2.695 8.679
7 HD2 ARG 1 HD2 ARG 1 1.852 5.040 7.771
8 HD3 ARG 1 HD3 ARG 1 0.149 5.428 7.635
9 HE ARG 1 HE ARG 1 1.631 4.865 10.126
10 HH11 ARG 1 HH22 ARG 1 -1.543 5.295 8.610
11 HH12 ARG 1 HH21 ARG 1 -2.348 5.635 10.106
12 HH21 ARG 1 HH11 ARG 1 -1.088 5.640 12.144
13 H ARG 2 H ARG 2 -1.022 1.326 3.958
14 HA ARG 2 HA ARG 2 -1.452 3.878 2.988
15 HB2 ARG 2 HB2 ARG 2 0.824 3.608 1.990
16 HB3 ARG 2 HB3 ARG 2 0.316 2.125 1.206
17 HG2 ARG 2 HG2 ARG 2 -0.703 3.248 -0.495
18 HG3 ARG 2 HG3 ARG 2 -1.535 4.327 0.607
19 HD2 ARG 2 HD2 ARG 2 1.436 4.710 0.165
20 HD3 ARG 2 HD3 ARG 2 0.323 5.263 -1.070
21 HE ARG 2 HE ARG 2 -0.612 6.180 1.481
22 HH11 ARG 2 HH22 ARG 2 2.013 6.777 -0.824
23 HH12 ARG 2 HH21 ARG 2 2.234 8.423 -0.334
24 HH21 ARG 2 HH11 ARG 2 0.853 9.328 1.403
25 H SER 3 H SER 3 -3.071 1.757 3.867
26 HA SER 3 HA SER 3 -4.860 0.643 3.352
27 HB2 SER 3 HB2 SER 3 -4.565 2.311 0.856
28 HB3 SER 3 HB3 SER 3 -5.765 1.033 0.863
29 HG SER 3 HG SER 3 -5.788 3.498 2.159
30 H ARG 4 H ARG 4 -1.949 -0.197 2.496
31 HA ARG 4 HA ARG 4 -2.497 -2.006 0.364
32 HB2 ARG 4 HB2 ARG 4 -0.212 -0.748 1.270
33 HB3 ARG 4 HB3 ARG 4 0.004 -2.339 1.974
34 HG2 ARG 4 HG2 ARG 4 -0.915 -2.493 -0.823
35 HG3 ARG 4 HG3 ARG 4 0.583 -1.597 -0.678
36 HD2 ARG 4 HD2 ARG 4 1.118 -3.724 0.990
37 HD3 ARG 4 HD3 ARG 4 0.048 -4.492 -0.166
38 HE ARG 4 HE ARG 4 1.700 -4.277 -1.818
39 HH11 ARG 4 HH22 ARG 4 2.521 -2.176 0.916
40 HH12 ARG 4 HH21 ARG 4 4.091 -1.782 0.301
41 HH21 ARG 4 HH11 ARG 4 4.805 -2.722 -1.785
42 H LYS 5 H LYS 5 -3.082 -1.965 3.702
43 HA LYS 5 HA LYS 5 -2.528 -4.779 4.122
44 HB2 LYS 5 HB2 LYS 5 -3.431 -2.504 5.886
45 HB3 LYS 5 HB3 LYS 5 -3.542 -4.167 6.425
46 HG2 LYS 5 HG2 LYS 5 -1.313 -4.257 6.845
47 HG3 LYS 5 HG3 LYS 5 -0.928 -3.714 5.224
48 HD2 LYS 5 HD2 LYS 5 -1.075 -1.387 5.856
49 HD3 LYS 5 HD3 LYS 5 -1.855 -1.770 7.378
50 HE2 LYS 5 HE2 LYS 5 0.915 -2.859 6.783
51 HE3 LYS 5 HE3 LYS 5 0.727 -1.212 7.348
52 HZ1 LYS 5 HZ1 LYS 5 0.734 -2.198 9.375
53 HZ2 LYS 5 HZ2 LYS 5 -0.825 -2.569 9.086
54 H ASN 6 H ASN 6 -5.379 -2.527 4.220
55 HA ASN 6 HA ASN 6 -7.113 -4.803 4.181
56 HB2 ASN 6 HB2 ASN 6 -7.376 -1.840 4.555
57 HB3 ASN 6 HB3 ASN 6 -8.762 -2.617 3.815
58 HD21 ASN 6 HD21 ASN 6 -9.896 -4.227 4.915
59 HD22 ASN 6 HD22 ASN 6 -9.817 -4.418 6.635
60 H GLY 7 H GLY 7 -7.657 -1.740 2.366
61 HA2 GLY 7 HA2 GLY 7 -7.523 -1.357 0.088
62 HA3 GLY 7 HA3 GLY 7 -7.259 -3.065 -0.207
63 H ILE 8 H ILE 8 -9.530 -3.865 1.645
64 HA ILE 8 HA ILE 8 -11.721 -3.082 -0.150
65 HB ILE 8 HB ILE 8 -10.717 -5.531 -0.017
66 HG12 ILE 8 HG12 ILE 8 -13.278 -6.242 -0.375
67 HG13 ILE 8 HG13 ILE 8 -13.480 -4.505 -0.470
68 HG21 ILE 8 HG21 ILE 8 -11.048 -5.735 2.418
69 HG22 ILE 8 HG22 ILE 8 -12.804 -5.559 2.181
70 HG23 ILE 8 HG23 ILE 8 -11.949 -6.965 1.500
71 HD11 ILE 8 HD11 ILE 8 -11.257 -4.801 -2.043
72 HD12 ILE 8 HD12 ILE 8 -12.072 -6.356 -2.335
73 HD13 ILE 8 HD13 ILE 8 -12.922 -4.829 -2.672
74 H GLY 9 H GLY 9 -10.590 -3.657 3.190
75 HA2 GLY 9 HA2 GLY 9 -13.084 -3.267 4.465
76 HA3 GLY 9 HA3 GLY 9 -11.492 -3.141 5.187
77 H TYR 10 H TYR 10 -10.592 -1.072 3.157
78 HA TYR 10 HA TYR 10 -11.424 1.202 4.630
79 HB2 TYR 10 HB2 TYR 10 -9.646 2.137 3.381
80 HB3 TYR 10 HB3 TYR 10 -9.276 0.446 3.111
81 HD1 TYR 10 HD1 TYR 10 -11.316 3.221 1.622
82 HD2 TYR 10 HD2 TYR 10 -9.008 -0.314 0.925
83 HE1 TYR 10 HE1 TYR 10 -11.526 3.569 -0.887
84 HE2 TYR 10 HE2 TYR 10 -9.227 0.047 -1.582
85 HH TYR 10 HH TYR 10 -9.637 2.353 -3.039
86 H ALA 11 H ALA 11 -12.361 -0.284 1.510
87 HA ALA 11 HA ALA 11 -13.710 1.909 0.446
88 HB1 ALA 11 HB1 ALA 11 -13.015 -0.413 -0.556
89 HB2 ALA 11 HB2 ALA 11 -14.604 -0.947 0.042
90 HB3 ALA 11 HB3 ALA 11 -14.499 0.379 -1.140
91 H ILE 12 H ILE 12 -14.995 -0.937 2.315
92 HA ILE 12 HA ILE 12 -17.580 0.148 2.517
93 HB ILE 12 HB ILE 12 -17.348 -2.171 2.696
94 HG12 ILE 12 HG12 ILE 12 -18.978 -1.030 4.271
95 HG13 ILE 12 HG13 ILE 12 -18.548 -2.686 4.651
96 HG21 ILE 12 HG21 ILE 12 -16.014 -3.114 4.739
97 HG22 ILE 12 HG22 ILE 12 -15.163 -2.651 3.246
98 HG23 ILE 12 HG23 ILE 12 -15.157 -1.557 4.650
99 HD11 ILE 12 HD11 ILE 12 -16.613 -0.979 5.930
100 HD12 ILE 12 HD12 ILE 12 -18.237 -0.350 6.296
101 HD13 ILE 12 HD13 ILE 12 -17.825 -2.036 6.692
102 H GLY 13 H GLY 13 -14.603 0.436 4.470
103 HA2 GLY 13 HA2 GLY 13 -15.789 1.575 6.764
104 HA3 GLY 13 HA3 GLY 13 -14.110 1.686 6.274
105 H TYR 14 H TYR 14 -14.822 2.872 3.578
106 HA TYR 14 HA TYR 14 -14.826 5.593 4.432
107 HB2 TYR 14 HB2 TYR 14 -13.541 5.026 2.472
108 HB3 TYR 14 HB3 TYR 14 -14.768 3.924 1.882
109 HD1 TYR 14 HD2 TYR 14 -13.785 7.476 2.138
110 HD2 TYR 14 HD1 TYR 14 -16.590 4.698 0.490
111 HE1 TYR 14 HE2 TYR 14 -14.656 9.276 0.569
112 HE2 TYR 14 HE1 TYR 14 -17.452 6.508 -1.074
113 HH TYR 14 HH TYR 14 -15.788 9.334 -1.649
114 H ALA 15 H ALA 15 -17.096 3.527 2.485
115 HA ALA 15 HA ALA 15 -19.016 5.539 2.167
116 HB1 ALA 15 HB1 ALA 15 -19.969 2.739 2.277
117 HB2 ALA 15 HB2 ALA 15 -20.077 3.935 0.962
118 HB3 ALA 15 HB3 ALA 15 -18.577 3.005 1.199
119 H PHE 16 H PHE 16 -18.725 2.814 4.547
120 HA PHE 16 HA PHE 16 -21.055 3.568 5.947
121 HB2 PHE 16 HB2 PHE 16 -19.529 1.353 5.798
122 HB3 PHE 16 HB3 PHE 16 -18.639 2.103 7.108
123 HD1 PHE 16 HD1 PHE 16 -21.302 3.416 8.236
124 HD2 PHE 16 HD2 PHE 16 -20.129 -0.533 7.220
125 HE1 PHE 16 HE1 PHE 16 -22.956 2.499 9.887
126 HE2 PHE 16 HE2 PHE 16 -21.783 -1.450 8.870
127 HZ PHE 16 HZ PHE 16 -23.176 0.077 10.184
128 H GLY 17 H GLY 17 -17.512 3.928 6.693
129 HA2 GLY 17 HA2 GLY 17 -17.812 5.325 9.085
130 HA3 GLY 17 HA3 GLY 17 -16.419 5.372 8.022
131 H ALA 18 H ALA 18 -18.444 6.308 5.780
132 HA ALA 18 HA ALA 18 -17.911 9.074 6.151
133 HB1 ALA 18 HB1 ALA 18 -19.165 7.299 4.087
134 HB2 ALA 18 HB2 ALA 18 -19.557 9.035 4.035
135 HB3 ALA 18 HB3 ALA 18 -17.862 8.501 3.920
136 H VAL 19 H VAL 19 -20.919 7.041 6.105
137 HA VAL 19 HA VAL 19 -22.585 9.225 6.785
138 HB VAL 19 HB VAL 19 -24.303 7.701 6.707
139 HG11 VAL 19 HG11 VAL 19 -24.031 6.689 4.688
140 HG12 VAL 19 HG12 VAL 19 -22.513 7.619 4.695
141 HG13 VAL 19 HG13 VAL 19 -22.506 5.902 5.162
142 HG21 VAL 19 HG21 VAL 19 -24.027 6.169 8.393
143 HG22 VAL 19 HG22 VAL 19 -23.693 5.129 6.987
144 HG23 VAL 19 HG23 VAL 19 -22.346 5.800 7.937
145 H GLU 20 H GLU 20 -20.706 6.793 8.595
146 HA GLU 20 HA GLU 20 -21.998 7.294 11.040
147 HB2 GLU 20 HB2 GLU 20 -19.250 6.100 10.459
148 HB3 GLU 20 HB3 GLU 20 -20.057 6.041 12.014
149 HG2 GLU 20 HG2 GLU 20 -21.838 4.655 11.159
150 HG3 GLU 20 HG3 GLU 20 -21.388 4.969 9.494
151 HE2 GLU 20 HE2 GLU 20 -20.409 3.405 12.355
152 H ARG 21 H ARG 21 -19.315 8.784 9.253
153 HA ARG 21 HA ARG 21 -18.009 10.023 11.284
154 HB2 ARG 21 HB2 ARG 21 -18.251 10.308 8.385
155 HB3 ARG 21 HB3 ARG 21 -18.112 11.892 9.122
156 HG2 ARG 21 HG2 ARG 21 -15.927 11.563 9.702
157 HG3 ARG 21 HG3 ARG 21 -16.237 9.950 10.314
158 HD2 ARG 21 HD2 ARG 21 -15.063 9.242 8.480
159 HD3 ARG 21 HD3 ARG 21 -16.550 9.535 7.600
160 HE ARG 21 HE ARG 21 -14.141 11.249 7.605
161 HH11 ARG 21 HH22 ARG 21 -17.546 10.929 6.680
162 HH12 ARG 21 HH21 ARG 21 -17.469 12.186 5.490
163 HH21 ARG 21 HH11 ARG 21 -15.398 13.334 5.128
164 H ALA 22 H ALA 22 -21.050 10.925 9.593
165 HA ALA 22 HA ALA 22 -21.253 13.500 10.740
166 HB1 ALA 22 HB1 ALA 22 -23.779 12.192 10.021
167 HB2 ALA 22 HB2 ALA 22 -23.005 13.635 9.323
168 HB3 ALA 22 HB3 ALA 22 -22.536 12.014 8.759
169 H VAL 23 H VAL 23 -22.058 10.203 11.785
170 HA VAL 23 HA VAL 23 -23.795 11.055 13.882
171 HB VAL 23 HB VAL 23 -22.390 8.450 13.269
172 HG11 VAL 23 HG11 VAL 23 -24.557 7.838 14.870
173 HG12 VAL 23 HG12 VAL 23 -22.857 7.888 15.393
174 HG13 VAL 23 HG13 VAL 23 -23.904 9.307 15.635
175 HG21 VAL 23 HG21 VAL 23 -24.080 9.199 11.612
176 HG22 VAL 23 HG22 VAL 23 -24.556 7.707 12.457
177 HG23 VAL 23 HG23 VAL 23 -25.294 9.261 12.910
178 H LEU 24 H LEU 24 -20.321 10.688 13.404
179 HA LEU 24 HA LEU 24 -19.936 11.080 16.287
180 HB2 LEU 24 HB2 LEU 24 -18.038 9.998 14.199
181 HB3 LEU 24 HB3 LEU 24 -17.648 10.258 15.888
182 HG LEU 24 HG LEU 24 -19.973 8.646 15.868
183 HD11 LEU 24 HD11 LEU 24 -18.217 8.111 13.561
184 HD12 LEU 24 HD12 LEU 24 -18.597 6.692 14.567
185 HD13 LEU 24 HD13 LEU 24 -19.912 7.657 13.854
186 HD21 LEU 24 HD21 LEU 24 -18.467 6.970 16.877
187 HD22 LEU 24 HD22 LEU 24 -17.069 7.970 16.411
188 HD23 LEU 24 HD23 LEU 24 -18.260 8.591 17.579
189 H GLY 25 H GLY 25 -20.604 12.982 13.862
190 HA2 GLY 25 HA2 GLY 25 -20.213 15.270 13.874
191 HA3 GLY 25 HA3 GLY 25 -18.688 15.027 14.702
192 H GLY 26 H GLY 26 -20.318 15.234 11.598
193 HA2 GLY 26 HA2 GLY 26 -18.022 15.878 10.171
194 HA3 GLY 26 HA3 GLY 26 -18.277 14.158 9.959
195 H SER 27 H SER 27 -19.563 17.411 9.345
196 HA SER 27 HA SER 27 -20.949 16.417 7.091
197 HB2 SER 27 HB2 SER 27 -22.883 17.930 8.739
198 HB3 SER 27 HB3 SER 27 -23.131 16.497 7.761
199 HG SER 27 HG SER 27 -23.393 15.704 9.793
200 H ARG 28 H ARG 28 -22.746 18.729 6.841
201 HA ARG 28 HA ARG 28 -22.731 20.759 6.106
202 HB2 ARG 28 HB2 ARG 28 -20.739 21.001 8.377
203 HB3 ARG 28 HB3 ARG 28 -20.991 22.386 7.333
204 HG2 ARG 28 HG2 ARG 28 -23.540 21.152 8.157
205 HG3 ARG 28 HG3 ARG 28 -22.580 21.651 9.535
206 HD2 ARG 28 HD2 ARG 28 -22.341 23.939 8.538
207 HD3 ARG 28 HD3 ARG 28 -23.303 23.439 7.161
208 HE ARG 28 HE ARG 28 -24.703 22.909 9.645
209 HH11 ARG 28 HH22 ARG 28 -23.879 25.515 7.389
210 HH12 ARG 28 HH21 ARG 28 -25.243 26.491 7.824
211 HH21 ARG 28 HH11 ARG 28 -26.773 25.695 9.489
212 H ASP 29 H ASP 29 -21.002 22.695 5.316
213 HA ASP 29 HA ASP 29 -18.978 21.226 3.816
214 HB2 ASP 29 HB2 ASP 29 -20.889 23.434 3.024
215 HB3 ASP 29 HB3 ASP 29 -19.335 23.345 2.218
216 HD2 ASP 29 HD2 ASP 29 -20.433 19.928 1.196
217 H TYR 30 H TYR 30 -19.887 24.713 4.382
218 HA TYR 30 HA TYR 30 -17.097 25.234 5.105
219 HB2 TYR 30 HB2 TYR 30 -17.891 26.686 3.351
220 HB3 TYR 30 HB3 TYR 30 -19.518 26.722 4.000
221 HD1 TYR 30 HD1 TYR 30 -19.996 28.114 6.063
222 HD2 TYR 30 HD2 TYR 30 -16.287 28.348 3.943
223 HE1 TYR 30 HE1 TYR 30 -19.500 30.352 7.163
224 HE2 TYR 30 HE2 TYR 30 -15.804 30.585 5.050
225 HH TYR 30 HH TYR 30 -16.571 32.167 6.314
226 H ASN 31 H ASN 31 -16.513 26.153 7.077
227 HA ASN 31 HA ASN 31 -18.563 27.081 8.822
228 HB2 ASN 31 HB2 ASN 31 -18.645 24.624 9.263
229 HB3 ASN 31 HB3 ASN 31 -16.915 24.599 9.542
230 HD21 ASN 31 HD21 ASN 31 -19.952 26.048 10.641
231 HD22 ASN 31 HD22 ASN 31 -19.526 26.239 12.309
232 H LYS 32 H LYS 32 -17.364 29.048 8.976
233 HA LYS 32 HA LYS 32 -15.617 30.402 9.307
234 HB2 LYS 32 HB2 LYS 32 -15.056 30.528 11.548
235 HB3 LYS 32 HB3 LYS 32 -16.556 29.624 11.594
236 HG2 LYS 32 HG2 LYS 32 -15.317 27.492 11.758
237 HG3 LYS 32 HG3 LYS 32 -13.789 28.329 11.574
238 HD2 LYS 32 HD2 LYS 32 -13.795 28.288 13.872
239 HD3 LYS 32 HD3 LYS 32 -14.781 29.726 13.691
240 HE2 LYS 32 HE2 LYS 32 -16.701 28.665 14.388
241 HE3 LYS 32 HE3 LYS 32 -16.320 27.184 13.533
242 HZ1 LYS 32 HZ1 LYS 32 -15.176 26.368 15.328
243 HZ2 LYS 32 HZ2 LYS 32 -14.638 27.818 15.835
Start of MODEL 15
1 H1 ARG 1 H ARG 1 -6.668 4.501 -5.800
2 HA ARG 1 HA ARG 1 -7.433 2.874 -4.536
3 HB2 ARG 1 HB2 ARG 1 -5.309 1.293 -5.971
4 HB3 ARG 1 HB3 ARG 1 -5.861 0.652 -4.437
5 HG2 ARG 1 HG2 ARG 1 -7.325 -0.339 -6.023
6 HG3 ARG 1 HG3 ARG 1 -8.272 0.969 -5.342
7 HD2 ARG 1 HD2 ARG 1 -6.611 1.373 -7.862
8 HD3 ARG 1 HD3 ARG 1 -8.236 0.722 -7.940
9 HE ARG 1 HE ARG 1 -8.454 3.022 -6.348
10 HH11 ARG 1 HH22 ARG 1 -7.390 2.312 -9.652
11 HH12 ARG 1 HH21 ARG 1 -7.844 3.867 -10.265
12 HH21 ARG 1 HH11 ARG 1 -8.819 5.475 -8.780
13 H ARG 2 H ARG 2 -7.067 2.420 -2.278
14 HA ARG 2 HA ARG 2 -4.527 2.293 -1.183
15 HB2 ARG 2 HB2 ARG 2 -4.722 4.812 -1.846
16 HB3 ARG 2 HB3 ARG 2 -5.900 4.944 -0.554
17 HG2 ARG 2 HG2 ARG 2 -3.933 5.493 0.588
18 HG3 ARG 2 HG3 ARG 2 -4.036 3.776 0.921
19 HD2 ARG 2 HD2 ARG 2 -1.808 3.970 0.202
20 HD3 ARG 2 HD3 ARG 2 -2.606 3.509 -1.289
21 HE ARG 2 HE ARG 2 -2.019 5.583 -2.170
22 HH11 ARG 2 HH22 ARG 2 -2.115 5.877 1.360
23 HH12 ARG 2 HH21 ARG 2 -1.568 7.522 1.362
24 HH21 ARG 2 HH11 ARG 2 -1.094 8.603 -0.724
25 H SER 3 H SER 3 -5.417 0.598 0.067
26 HA SER 3 HA SER 3 -6.374 1.015 2.477
27 HB2 SER 3 HB2 SER 3 -8.575 1.405 0.516
28 HB3 SER 3 HB3 SER 3 -8.968 0.310 1.826
29 HG SER 3 HG SER 3 -8.441 1.952 3.356
30 H ARG 4 H ARG 4 -6.506 -0.839 -0.521
31 HA ARG 4 HA ARG 4 -7.354 -3.234 0.695
32 HB2 ARG 4 HB2 ARG 4 -7.132 -2.331 -1.908
33 HB3 ARG 4 HB3 ARG 4 -5.743 -3.395 -1.820
34 HG2 ARG 4 HG2 ARG 4 -7.990 -4.719 -0.557
35 HG3 ARG 4 HG3 ARG 4 -8.508 -4.118 -2.120
36 HD2 ARG 4 HD2 ARG 4 -5.824 -5.374 -2.201
37 HD3 ARG 4 HD3 ARG 4 -7.080 -6.480 -1.682
38 HE ARG 4 HE ARG 4 -8.200 -5.202 -3.886
39 HH11 ARG 4 HH22 ARG 4 -5.219 -7.036 -3.339
40 HH12 ARG 4 HH21 ARG 4 -5.128 -7.613 -4.969
41 HH21 ARG 4 HH11 ARG 4 -6.821 -6.969 -6.538
42 H LYS 5 H LYS 5 -4.333 -1.496 0.423
43 HA LYS 5 HA LYS 5 -2.531 -3.627 0.458
44 HB2 LYS 5 HB2 LYS 5 -2.318 -0.950 0.207
45 HB3 LYS 5 HB3 LYS 5 -1.838 -1.108 1.885
46 HG2 LYS 5 HG2 LYS 5 0.028 -2.468 1.371
47 HG3 LYS 5 HG3 LYS 5 -0.641 -2.989 -0.162
48 HD2 LYS 5 HD2 LYS 5 -0.042 -1.002 -1.267
49 HD3 LYS 5 HD3 LYS 5 -0.055 -0.050 0.204
50 HE2 LYS 5 HE2 LYS 5 1.948 -2.203 0.336
51 HE3 LYS 5 HE3 LYS 5 2.212 -1.167 -1.053
52 HZ1 LYS 5 HZ1 LYS 5 2.425 0.712 0.336
53 HZ2 LYS 5 HZ2 LYS 5 1.738 -0.005 1.626
54 H ASN 6 H ASN 6 -4.366 -1.947 3.045
55 HA ASN 6 HA ASN 6 -2.974 -3.166 5.135
56 HB2 ASN 6 HB2 ASN 6 -5.506 -1.600 4.785
57 HB3 ASN 6 HB3 ASN 6 -5.473 -2.636 6.199
58 HD21 ASN 6 HD21 ASN 6 -4.147 -2.207 7.890
59 HD22 ASN 6 HD22 ASN 6 -3.191 -0.772 8.052
60 H GLY 7 H GLY 7 -6.535 -3.567 4.764
61 HA2 GLY 7 HA2 GLY 7 -7.639 -5.551 4.118
62 HA3 GLY 7 HA3 GLY 7 -6.213 -6.483 4.523
63 H ILE 8 H ILE 8 -9.292 -5.996 5.504
64 HA ILE 8 HA ILE 8 -10.279 -6.788 7.360
65 HB ILE 8 HB ILE 8 -7.759 -7.661 7.833
66 HG12 ILE 8 HG12 ILE 8 -8.930 -8.548 10.060
67 HG13 ILE 8 HG13 ILE 8 -10.357 -7.879 9.296
68 HG21 ILE 8 HG21 ILE 8 -7.533 -5.357 9.113
69 HG22 ILE 8 HG22 ILE 8 -8.339 -6.269 10.411
70 HG23 ILE 8 HG23 ILE 8 -6.797 -6.851 9.739
71 HD11 ILE 8 HD11 ILE 8 -10.180 -9.311 7.407
72 HD12 ILE 8 HD12 ILE 8 -8.470 -9.676 7.736
73 HD13 ILE 8 HD13 ILE 8 -9.743 -10.358 8.778
74 H GLY 9 H GLY 9 -8.503 -3.912 6.867
75 HA2 GLY 9 HA2 GLY 9 -9.840 -2.575 9.136
76 HA3 GLY 9 HA3 GLY 9 -8.403 -2.009 8.308
77 H TYR 10 H TYR 10 -9.998 -3.136 5.728
78 HA TYR 10 HA TYR 10 -10.887 -0.568 4.924
79 HB2 TYR 10 HB2 TYR 10 -11.027 -1.716 2.850
80 HB3 TYR 10 HB3 TYR 10 -9.975 -2.821 3.711
81 HD1 TYR 10 HD1 TYR 10 -13.628 -2.194 3.124
82 HD2 TYR 10 HD2 TYR 10 -10.540 -5.079 3.791
83 HE1 TYR 10 HE1 TYR 10 -15.298 -4.077 2.761
84 HE2 TYR 10 HE2 TYR 10 -12.220 -6.952 3.426
85 HH TYR 10 HH TYR 10 -14.240 -7.464 2.836
86 H ALA 11 H ALA 11 -12.502 -3.580 6.056
87 HA ALA 11 HA ALA 11 -15.098 -2.908 5.385
88 HB1 ALA 11 HB1 ALA 11 -14.595 -4.320 7.969
89 HB2 ALA 11 HB2 ALA 11 -15.634 -4.777 6.598
90 HB3 ALA 11 HB3 ALA 11 -13.875 -5.038 6.507
91 H ILE 12 H ILE 12 -13.367 -2.392 8.544
92 HA ILE 12 HA ILE 12 -15.458 -0.872 9.640
93 HB ILE 12 HB ILE 12 -13.977 -1.954 11.099
94 HG12 ILE 12 HG12 ILE 12 -14.768 0.360 11.733
95 HG13 ILE 12 HG13 ILE 12 -13.371 -0.240 12.605
96 HG21 ILE 12 HG21 ILE 12 -12.018 -2.378 9.952
97 HG22 ILE 12 HG22 ILE 12 -11.810 -0.682 9.454
98 HG23 ILE 12 HG23 ILE 12 -11.494 -1.161 11.139
99 HD11 ILE 12 HD11 ILE 12 -12.222 1.600 11.967
100 HD12 ILE 12 HD12 ILE 12 -12.351 1.062 10.275
101 HD13 ILE 12 HD13 ILE 12 -13.593 2.134 10.965
102 H GLY 13 H GLY 13 -12.625 -0.094 7.612
103 HA2 GLY 13 HA2 GLY 13 -12.668 2.703 7.995
104 HA3 GLY 13 HA3 GLY 13 -11.946 1.828 6.660
105 H TYR 14 H TYR 14 -14.548 0.454 5.951
106 HA TYR 14 HA TYR 14 -15.503 2.489 4.197
107 HB2 TYR 14 HB2 TYR 14 -15.502 0.218 3.391
108 HB3 TYR 14 HB3 TYR 14 -16.029 -0.420 4.936
109 HD1 TYR 14 HD2 TYR 14 -17.239 1.623 2.045
110 HD2 TYR 14 HD1 TYR 14 -18.280 -0.987 5.270
111 HE1 TYR 14 HE2 TYR 14 -19.631 1.510 1.190
112 HE2 TYR 14 HE1 TYR 14 -20.668 -1.093 4.404
113 HH TYR 14 HH TYR 14 -21.534 -0.281 1.403
114 H ALA 15 H ALA 15 -16.952 0.606 6.947
115 HA ALA 15 HA ALA 15 -19.409 1.948 6.868
116 HB1 ALA 15 HB1 ALA 15 -18.295 -0.214 8.198
117 HB2 ALA 15 HB2 ALA 15 -18.533 0.972 9.505
118 HB3 ALA 15 HB3 ALA 15 -19.912 0.465 8.499
119 H PHE 16 H PHE 16 -16.445 2.426 8.908
120 HA PHE 16 HA PHE 16 -17.519 4.666 10.242
121 HB2 PHE 16 HB2 PHE 16 -15.479 2.971 10.682
122 HB3 PHE 16 HB3 PHE 16 -14.561 4.107 9.712
123 HD1 PHE 16 HD1 PHE 16 -16.307 6.519 10.853
124 HD2 PHE 16 HD2 PHE 16 -14.018 3.398 12.596
125 HE1 PHE 16 HE1 PHE 16 -15.918 7.939 12.886
126 HE2 PHE 16 HE2 PHE 16 -13.629 4.819 14.628
127 HZ PHE 16 HZ PHE 16 -14.584 7.073 14.749
128 H GLY 17 H GLY 17 -15.018 4.348 7.617
129 HA2 GLY 17 HA2 GLY 17 -14.587 7.065 7.217
130 HA3 GLY 17 HA3 GLY 17 -14.344 5.793 6.035
131 H ALA 18 H ALA 18 -17.388 5.084 6.482
132 HA ALA 18 HA ALA 18 -18.294 6.624 4.270
133 HB1 ALA 18 HB1 ALA 18 -19.335 4.436 6.038
134 HB2 ALA 18 HB2 ALA 18 -20.511 5.380 5.093
135 HB3 ALA 18 HB3 ALA 18 -19.203 4.503 4.263
136 H VAL 19 H VAL 19 -19.154 6.449 7.792
137 HA VAL 19 HA VAL 19 -20.980 8.607 7.600
138 HB VAL 19 HB VAL 19 -21.334 8.266 9.842
139 HG11 VAL 19 HG11 VAL 19 -21.153 6.036 8.259
140 HG12 VAL 19 HG12 VAL 19 -20.144 5.573 9.650
141 HG13 VAL 19 HG13 VAL 19 -21.835 6.069 9.902
142 HG21 VAL 19 HG21 VAL 19 -19.404 8.778 10.978
143 HG22 VAL 19 HG22 VAL 19 -19.450 7.017 11.230
144 HG23 VAL 19 HG23 VAL 19 -18.394 7.709 9.975
145 H GLU 20 H GLU 20 -17.488 8.260 8.243
146 HA GLU 20 HA GLU 20 -17.192 10.872 9.238
147 HB2 GLU 20 HB2 GLU 20 -15.162 8.940 8.034
148 HB3 GLU 20 HB3 GLU 20 -14.737 10.431 8.852
149 HG2 GLU 20 HG2 GLU 20 -16.546 8.480 10.283
150 HG3 GLU 20 HG3 GLU 20 -14.838 8.102 10.174
151 HE2 GLU 20 HE2 GLU 20 -15.773 11.606 11.886
152 H ARG 21 H ARG 21 -17.241 9.387 6.009
153 HA ARG 21 HA ARG 21 -15.901 11.279 4.593
154 HB2 ARG 21 HB2 ARG 21 -17.751 9.110 4.059
155 HB3 ARG 21 HB3 ARG 21 -18.197 10.469 3.046
156 HG2 ARG 21 HG2 ARG 21 -16.044 10.556 2.002
157 HG3 ARG 21 HG3 ARG 21 -15.295 9.591 3.258
158 HD2 ARG 21 HD2 ARG 21 -15.598 8.175 1.295
159 HD3 ARG 21 HD3 ARG 21 -16.698 7.618 2.540
160 HE ARG 21 HE ARG 21 -18.535 8.379 1.263
161 HH11 ARG 21 HH22 ARG 21 -15.505 9.528 -0.172
162 HH12 ARG 21 HH21 ARG 21 -16.257 10.062 -1.637
163 HH21 ARG 21 HH11 ARG 21 -18.623 9.791 -1.909
164 H ALA 22 H ALA 22 -19.405 11.159 5.527
165 HA ALA 22 HA ALA 22 -20.097 13.550 4.210
166 HB1 ALA 22 HB1 ALA 22 -21.547 11.573 5.116
167 HB2 ALA 22 HB2 ALA 22 -21.501 12.464 6.657
168 HB3 ALA 22 HB3 ALA 22 -22.197 13.228 5.208
169 H VAL 23 H VAL 23 -18.606 12.772 7.336
170 HA VAL 23 HA VAL 23 -19.139 15.301 8.514
171 HB VAL 23 HB VAL 23 -17.381 12.944 9.106
172 HG11 VAL 23 HG11 VAL 23 -16.842 14.230 11.295
173 HG12 VAL 23 HG12 VAL 23 -15.904 14.606 9.828
174 HG13 VAL 23 HG13 VAL 23 -17.218 15.688 10.348
175 HG21 VAL 23 HG21 VAL 23 -19.863 14.189 10.232
176 HG22 VAL 23 HG22 VAL 23 -19.488 12.481 9.901
177 HG23 VAL 23 HG23 VAL 23 -18.787 13.287 11.325
178 H LEU 24 H LEU 24 -16.946 14.130 6.083
179 HA LEU 24 HA LEU 24 -15.047 16.269 6.577
180 HB2 LEU 24 HB2 LEU 24 -15.125 13.984 4.607
181 HB3 LEU 24 HB3 LEU 24 -13.884 15.221 4.608
182 HG LEU 24 HG LEU 24 -14.433 13.116 6.700
183 HD11 LEU 24 HD11 LEU 24 -11.858 12.886 6.318
184 HD12 LEU 24 HD12 LEU 24 -13.003 12.197 5.142
185 HD13 LEU 24 HD13 LEU 24 -12.199 13.748 4.798
186 HD21 LEU 24 HD21 LEU 24 -14.133 15.092 8.000
187 HD22 LEU 24 HD22 LEU 24 -12.599 14.188 8.040
188 HD23 LEU 24 HD23 LEU 24 -12.761 15.621 6.996
189 H GLY 25 H GLY 25 -17.698 15.321 4.382
190 HA2 GLY 25 HA2 GLY 25 -17.254 17.194 2.351
191 HA3 GLY 25 HA3 GLY 25 -18.785 16.456 2.776
192 H GLY 26 H GLY 26 -20.059 17.425 4.606
193 HA2 GLY 26 HA2 GLY 26 -19.503 19.759 5.925
194 HA3 GLY 26 HA3 GLY 26 -20.101 20.279 4.362
195 H SER 27 H SER 27 -20.925 18.968 7.487
196 HA SER 27 HA SER 27 -23.711 19.023 6.661
197 HB2 SER 27 HB2 SER 27 -23.067 17.041 8.778
198 HB3 SER 27 HB3 SER 27 -24.188 16.918 7.436
199 HG SER 27 HG SER 27 -22.410 16.476 6.014
200 H ARG 28 H ARG 28 -25.136 18.943 8.852
201 HA ARG 28 HA ARG 28 -25.637 19.778 10.794
202 HB2 ARG 28 HB2 ARG 28 -22.760 20.642 11.307
203 HB3 ARG 28 HB3 ARG 28 -23.993 20.264 12.495
204 HG2 ARG 28 HG2 ARG 28 -23.830 17.913 10.964
205 HG3 ARG 28 HG3 ARG 28 -22.164 18.450 11.054
206 HD2 ARG 28 HD2 ARG 28 -22.915 18.839 13.664
207 HD3 ARG 28 HD3 ARG 28 -23.977 17.508 13.245
208 HE ARG 28 HE ARG 28 -21.471 16.748 12.255
209 HH11 ARG 28 HH22 ARG 28 -22.765 17.630 15.433
210 HH12 ARG 28 HH21 ARG 28 -21.636 16.646 16.303
211 HH21 ARG 28 HH11 ARG 28 -20.008 15.374 15.088
212 H ASP 29 H ASP 29 -25.152 22.099 12.152
213 HA ASP 29 HA ASP 29 -25.113 24.095 10.026
214 HB2 ASP 29 HB2 ASP 29 -26.776 23.854 12.557
215 HB3 ASP 29 HB3 ASP 29 -26.529 25.421 11.812
216 HD2 ASP 29 HD2 ASP 29 -28.575 25.777 10.709
217 H TYR 30 H TYR 30 -24.391 23.250 13.465
218 HA TYR 30 HA TYR 30 -22.837 25.678 13.809
219 HB2 TYR 30 HB2 TYR 30 -23.603 23.213 15.484
220 HB3 TYR 30 HB3 TYR 30 -22.569 24.475 16.125
221 HD1 TYR 30 HD2 TYR 30 -23.662 26.971 15.650
222 HD2 TYR 30 HD1 TYR 30 -25.808 23.307 16.172
223 HE1 TYR 30 HE2 TYR 30 -25.718 28.271 16.387
224 HE2 TYR 30 HE1 TYR 30 -27.857 24.620 16.907
225 HH TYR 30 HH TYR 30 -27.682 28.046 17.508
226 H ASN 31 H ASN 31 -21.303 24.997 12.013
227 HA ASN 31 HA ASN 31 -19.163 23.523 13.266
228 HB2 ASN 31 HB2 ASN 31 -20.797 22.418 11.167
229 HB3 ASN 31 HB3 ASN 31 -19.251 22.812 10.442
230 HD21 ASN 31 HD21 ASN 31 -20.264 21.690 13.670
231 HD22 ASN 31 HD22 ASN 31 -19.239 20.297 13.751
232 H LYS 32 H LYS 32 -17.441 24.967 13.117
233 HA LYS 32 HA LYS 32 -16.658 26.031 10.619
234 HB2 LYS 32 HB2 LYS 32 -18.493 27.578 10.964
235 HB3 LYS 32 HB3 LYS 32 -17.937 27.953 12.583
236 HG2 LYS 32 HG2 LYS 32 -15.668 28.393 10.957
237 HG3 LYS 32 HG3 LYS 32 -17.003 29.012 10.005
238 HD2 LYS 32 HD2 LYS 32 -17.523 29.921 12.638
239 HD3 LYS 32 HD3 LYS 32 -15.794 30.119 12.436
240 HE2 LYS 32 HE2 LYS 32 -16.920 31.015 9.988
241 HE3 LYS 32 HE3 LYS 32 -17.980 31.651 11.229
242 HZ1 LYS 32 HZ1 LYS 32 -15.319 32.006 12.073
243 HZ2 LYS 32 HZ2 LYS 32 -15.430 32.577 10.552
Start of MODEL 16
1 H1 ARG 1 H ARG 1 -2.017 -5.600 -3.542
2 HA ARG 1 HA ARG 1 -2.552 -5.039 -1.196
3 HB2 ARG 1 HB2 ARG 1 -0.239 -4.411 -0.637
4 HB3 ARG 1 HB3 ARG 1 -0.216 -5.557 -1.962
5 HG2 ARG 1 HG2 ARG 1 -0.055 -3.612 -3.580
6 HG3 ARG 1 HG3 ARG 1 0.045 -2.523 -2.210
7 HD2 ARG 1 HD2 ARG 1 2.215 -3.144 -1.691
8 HD3 ARG 1 HD3 ARG 1 1.966 -4.816 -2.152
9 HE ARG 1 HE ARG 1 2.952 -2.684 -3.862
10 HH11 ARG 1 HH22 ARG 1 1.129 -5.722 -3.909
11 HH12 ARG 1 HH21 ARG 1 1.513 -6.070 -5.561
12 HH21 ARG 1 HH11 ARG 1 2.884 -4.542 -6.796
13 H ARG 2 H ARG 2 -2.260 -3.203 0.439
14 HA ARG 2 HA ARG 2 -2.575 -1.185 1.158
15 HB2 ARG 2 HB2 ARG 2 -1.297 -0.695 -1.384
16 HB3 ARG 2 HB3 ARG 2 -2.569 0.496 -1.203
17 HG2 ARG 2 HG2 ARG 2 -1.057 0.111 1.300
18 HG3 ARG 2 HG3 ARG 2 -0.017 0.597 -0.025
19 HD2 ARG 2 HD2 ARG 2 -1.699 2.477 -0.521
20 HD3 ARG 2 HD3 ARG 2 -2.508 2.054 0.975
21 HE ARG 2 HE ARG 2 0.201 2.359 1.661
22 HH11 ARG 2 HH22 ARG 2 -2.332 4.411 0.271
23 HH12 ARG 2 HH21 ARG 2 -1.668 5.877 0.910
24 HH21 ARG 2 HH11 ARG 2 0.338 5.784 2.220
25 H SER 3 H SER 3 -4.810 -1.762 1.611
26 HA SER 3 HA SER 3 -6.964 -1.533 1.536
27 HB2 SER 3 HB2 SER 3 -6.006 0.960 0.856
28 HB3 SER 3 HB3 SER 3 -7.067 0.637 -0.500
29 HG SER 3 HG SER 3 -8.459 1.512 0.955
30 H ARG 4 H ARG 4 -5.333 -2.985 -0.711
31 HA ARG 4 HA ARG 4 -7.198 -2.878 -2.876
32 HB2 ARG 4 HB2 ARG 4 -4.503 -4.072 -2.364
33 HB3 ARG 4 HB3 ARG 4 -5.516 -4.989 -3.462
34 HG2 ARG 4 HG2 ARG 4 -5.949 -2.578 -4.556
35 HG3 ARG 4 HG3 ARG 4 -4.430 -2.187 -3.772
36 HD2 ARG 4 HD2 ARG 4 -4.122 -4.756 -5.062
37 HD3 ARG 4 HD3 ARG 4 -4.843 -3.656 -6.221
38 HE ARG 4 HE ARG 4 -2.127 -3.610 -5.401
39 HH11 ARG 4 HH22 ARG 4 -4.787 -1.306 -5.818
40 HH12 ARG 4 HH21 ARG 4 -3.740 0.031 -6.159
41 HH21 ARG 4 HH11 ARG 4 -1.368 -0.310 -6.174
42 H LYS 5 H LYS 5 -6.678 -4.665 0.070
43 HA LYS 5 HA LYS 5 -7.806 -7.127 -0.751
44 HB2 LYS 5 HB2 LYS 5 -6.729 -5.923 1.674
45 HB3 LYS 5 HB3 LYS 5 -8.160 -6.876 2.014
46 HG2 LYS 5 HG2 LYS 5 -6.252 -8.369 2.131
47 HG3 LYS 5 HG3 LYS 5 -7.152 -8.782 0.685
48 HD2 LYS 5 HD2 LYS 5 -5.460 -6.927 -0.379
49 HD3 LYS 5 HD3 LYS 5 -4.457 -7.490 0.942
50 HE2 LYS 5 HE2 LYS 5 -5.390 -9.891 -0.063
51 HE3 LYS 5 HE3 LYS 5 -5.320 -8.925 -1.523
52 HZ1 LYS 5 HZ1 LYS 5 -3.055 -9.278 0.369
53 HZ2 LYS 5 HZ2 LYS 5 -3.191 -10.020 -1.073
54 H ASN 6 H ASN 6 -9.125 -4.391 1.251
55 HA ASN 6 HA ASN 6 -11.133 -3.524 1.283
56 HB2 ASN 6 HB2 ASN 6 -11.204 -4.474 -1.248
57 HB3 ASN 6 HB3 ASN 6 -12.368 -5.588 -0.557
58 HD21 ASN 6 HD21 ASN 6 -11.527 -2.130 -0.585
59 HD22 ASN 6 HD22 ASN 6 -13.144 -1.509 -0.635
60 H GLY 7 H GLY 7 -11.917 -4.051 3.339
61 HA2 GLY 7 HA2 GLY 7 -13.890 -5.714 3.959
62 HA3 GLY 7 HA3 GLY 7 -12.536 -6.825 3.981
63 H ILE 8 H ILE 8 -10.502 -4.907 4.889
64 HA ILE 8 HA ILE 8 -11.491 -4.494 7.626
65 HB ILE 8 HB ILE 8 -9.651 -6.284 6.967
66 HG12 ILE 8 HG12 ILE 8 -8.667 -5.902 9.285
67 HG13 ILE 8 HG13 ILE 8 -9.689 -4.484 9.399
68 HG21 ILE 8 HG21 ILE 8 -7.844 -3.976 7.633
69 HG22 ILE 8 HG22 ILE 8 -7.452 -5.561 6.927
70 HG23 ILE 8 HG23 ILE 8 -8.279 -4.329 5.944
71 HD11 ILE 8 HD11 ILE 8 -11.517 -6.355 8.531
72 HD12 ILE 8 HD12 ILE 8 -10.425 -7.361 9.513
73 HD13 ILE 8 HD13 ILE 8 -11.231 -5.951 10.241
74 H GLY 9 H GLY 9 -9.641 -3.231 4.842
75 HA2 GLY 9 HA2 GLY 9 -8.699 -0.881 6.107
76 HA3 GLY 9 HA3 GLY 9 -8.836 -1.178 4.386
77 H TYR 10 H TYR 10 -11.792 -1.833 4.601
78 HA TYR 10 HA TYR 10 -12.732 0.812 4.203
79 HB2 TYR 10 HB2 TYR 10 -14.575 -0.420 3.378
80 HB3 TYR 10 HB3 TYR 10 -13.401 -1.720 3.403
81 HD1 TYR 10 HD1 TYR 10 -15.936 -0.089 5.636
82 HD2 TYR 10 HD2 TYR 10 -13.931 -3.697 4.514
83 HE1 TYR 10 HE1 TYR 10 -17.428 -1.417 7.212
84 HE2 TYR 10 HE2 TYR 10 -15.429 -5.012 6.092
85 HH TYR 10 HH TYR 10 -17.652 -3.365 8.257
86 H ALA 11 H ALA 11 -12.811 -1.526 6.910
87 HA ALA 11 HA ALA 11 -14.834 -0.314 8.392
88 HB1 ALA 11 HB1 ALA 11 -14.266 -1.876 9.967
89 HB2 ALA 11 HB2 ALA 11 -13.345 -2.565 8.609
90 HB3 ALA 11 HB3 ALA 11 -12.522 -1.550 9.818
91 H ILE 12 H ILE 12 -11.222 0.048 8.647
92 HA ILE 12 HA ILE 12 -11.416 2.164 10.499
93 HB ILE 12 HB ILE 12 -9.465 0.873 10.510
94 HG12 ILE 12 HG12 ILE 12 -7.683 2.503 10.214
95 HG13 ILE 12 HG13 ILE 12 -8.696 3.483 9.172
96 HG21 ILE 12 HG21 ILE 12 -7.937 0.942 8.393
97 HG22 ILE 12 HG22 ILE 12 -9.292 -0.208 8.482
98 HG23 ILE 12 HG23 ILE 12 -9.460 1.293 7.540
99 HD11 ILE 12 HD11 ILE 12 -9.746 2.792 11.913
100 HD12 ILE 12 HD12 ILE 12 -8.474 4.029 11.774
101 HD13 ILE 12 HD13 ILE 12 -10.025 4.249 10.930
102 H GLY 13 H GLY 13 -11.329 1.947 6.933
103 HA2 GLY 13 HA2 GLY 13 -10.842 4.694 6.449
104 HA3 GLY 13 HA3 GLY 13 -11.511 3.520 5.332
105 H TYR 14 H TYR 14 -13.734 2.789 7.288
106 HA TYR 14 HA TYR 14 -15.592 4.737 6.361
107 HB2 TYR 14 HB2 TYR 14 -16.352 2.460 6.596
108 HB3 TYR 14 HB3 TYR 14 -15.479 2.235 8.099
109 HD1 TYR 14 HD1 TYR 14 -18.502 3.761 6.587
110 HD2 TYR 14 HD2 TYR 14 -16.500 2.703 10.216
111 HE1 TYR 14 HE1 TYR 14 -20.634 4.203 7.899
112 HE2 TYR 14 HE2 TYR 14 -18.639 3.148 11.517
113 HH TYR 14 HH TYR 14 -21.452 3.128 10.415
114 H ALA 15 H ALA 15 -14.262 3.806 9.605
115 HA ALA 15 HA ALA 15 -15.754 5.774 10.980
116 HB1 ALA 15 HB1 ALA 15 -15.054 4.411 12.622
117 HB2 ALA 15 HB2 ALA 15 -13.861 3.651 11.541
118 HB3 ALA 15 HB3 ALA 15 -13.428 5.117 12.454
119 H PHE 16 H PHE 16 -12.311 5.575 9.845
120 HA PHE 16 HA PHE 16 -11.681 8.170 10.741
121 HB2 PHE 16 HB2 PHE 16 -10.280 6.000 9.976
122 HB3 PHE 16 HB3 PHE 16 -10.400 6.715 8.381
123 HD1 PHE 16 HD2 PHE 16 -10.269 9.639 9.524
124 HD2 PHE 16 HD1 PHE 16 -7.874 6.173 10.031
125 HE1 PHE 16 HE2 PHE 16 -8.281 11.086 10.025
126 HE2 PHE 16 HE1 PHE 16 -5.884 7.621 10.532
127 HZ PHE 16 HZ PHE 16 -6.113 10.061 10.522
128 H GLY 17 H GLY 17 -12.335 6.828 7.422
129 HA2 GLY 17 HA2 GLY 17 -12.152 9.224 6.029
130 HA3 GLY 17 HA3 GLY 17 -13.080 7.817 5.548
131 H ALA 18 H ALA 18 -14.612 8.070 8.270
132 HA ALA 18 HA ALA 18 -16.752 9.597 7.193
133 HB1 ALA 18 HB1 ALA 18 -17.489 7.819 8.480
134 HB2 ALA 18 HB2 ALA 18 -16.187 8.005 9.680
135 HB3 ALA 18 HB3 ALA 18 -17.568 9.129 9.681
136 H VAL 19 H VAL 19 -14.488 10.009 10.002
137 HA VAL 19 HA VAL 19 -15.502 12.538 10.701
138 HB VAL 19 HB VAL 19 -13.385 12.688 12.004
139 HG11 VAL 19 HG11 VAL 19 -14.383 11.491 13.616
140 HG12 VAL 19 HG12 VAL 19 -15.601 11.061 12.392
141 HG13 VAL 19 HG13 VAL 19 -14.226 9.973 12.702
142 HG21 VAL 19 HG21 VAL 19 -11.765 10.955 12.003
143 HG22 VAL 19 HG22 VAL 19 -12.780 9.899 10.990
144 HG23 VAL 19 HG23 VAL 19 -12.042 11.361 10.292
145 H GLU 20 H GLU 20 -12.996 11.393 8.419
146 HA GLU 20 HA GLU 20 -11.905 13.946 8.004
147 HB2 GLU 20 HB2 GLU 20 -11.830 11.422 6.293
148 HB3 GLU 20 HB3 GLU 20 -10.861 12.849 5.979
149 HG2 GLU 20 HG2 GLU 20 -10.796 11.422 8.671
150 HG3 GLU 20 HG3 GLU 20 -9.752 10.946 7.346
151 HE2 GLU 20 HE2 GLU 20 -7.732 12.132 7.497
152 H ARG 21 H ARG 21 -14.656 12.138 6.665
153 HA ARG 21 HA ARG 21 -14.976 13.447 4.303
154 HB2 ARG 21 HB2 ARG 21 -16.566 11.765 6.062
155 HB3 ARG 21 HB3 ARG 21 -17.588 13.046 5.442
156 HG2 ARG 21 HG2 ARG 21 -17.104 12.456 3.143
157 HG3 ARG 21 HG3 ARG 21 -15.782 11.407 3.615
158 HD2 ARG 21 HD2 ARG 21 -17.869 10.135 3.017
159 HD3 ARG 21 HD3 ARG 21 -17.323 9.808 4.651
160 HE ARG 21 HE ARG 21 -19.202 10.963 5.515
161 HH11 ARG 21 HH22 ARG 21 -19.017 11.380 2.002
162 HH12 ARG 21 HH21 ARG 21 -20.612 12.044 1.873
163 HH21 ARG 21 HH11 ARG 21 -21.940 12.305 3.851
164 H ALA 22 H ALA 22 -15.800 14.443 7.643
165 HA ALA 22 HA ALA 22 -17.454 16.608 6.963
166 HB1 ALA 22 HB1 ALA 22 -16.011 17.068 9.412
167 HB2 ALA 22 HB2 ALA 22 -17.702 16.556 9.194
168 HB3 ALA 22 HB3 ALA 22 -16.410 15.337 9.295
169 H VAL 23 H VAL 23 -13.901 16.263 7.500
170 HA VAL 23 HA VAL 23 -13.286 18.971 7.372
171 HB VAL 23 HB VAL 23 -11.793 16.424 6.806
172 HG11 VAL 23 HG11 VAL 23 -10.887 18.192 5.308
173 HG12 VAL 23 HG12 VAL 23 -10.587 19.210 6.737
174 HG13 VAL 23 HG13 VAL 23 -9.724 17.664 6.549
175 HG21 VAL 23 HG21 VAL 23 -10.774 18.226 8.866
176 HG22 VAL 23 HG22 VAL 23 -12.472 17.770 9.146
177 HG23 VAL 23 HG23 VAL 23 -11.229 16.508 8.971
178 H LEU 24 H LEU 24 -13.996 16.550 4.852
179 HA LEU 24 HA LEU 24 -13.116 18.312 2.753
180 HB2 LEU 24 HB2 LEU 24 -14.644 15.712 2.585
181 HB3 LEU 24 HB3 LEU 24 -13.830 16.541 1.273
182 HG LEU 24 HG LEU 24 -12.628 15.038 3.587
183 HD11 LEU 24 HD11 LEU 24 -12.564 13.476 2.001
184 HD12 LEU 24 HD12 LEU 24 -12.942 14.644 0.712
185 HD13 LEU 24 HD13 LEU 24 -11.261 14.436 1.258
186 HD21 LEU 24 HD21 LEU 24 -11.093 16.913 1.769
187 HD22 LEU 24 HD22 LEU 24 -11.502 17.241 3.470
188 HD23 LEU 24 HD23 LEU 24 -10.429 15.881 3.058
189 H GLY 25 H GLY 25 -16.065 17.547 4.548
190 HA2 GLY 25 HA2 GLY 25 -17.652 19.458 4.457
191 HA3 GLY 25 HA3 GLY 25 -17.576 19.311 2.712
192 H GLY 26 H GLY 26 -19.290 18.399 5.491
193 HA2 GLY 26 HA2 GLY 26 -21.243 16.961 4.171
194 HA3 GLY 26 HA3 GLY 26 -20.109 15.769 4.774
195 H SER 27 H SER 27 -22.611 18.092 5.600
196 HA SER 27 HA SER 27 -23.297 16.865 7.911
197 HB2 SER 27 HB2 SER 27 -22.482 18.643 9.606
198 HB3 SER 27 HB3 SER 27 -21.321 17.442 9.075
199 HG SER 27 HG SER 27 -20.194 18.939 7.955
200 H ARG 28 H ARG 28 -25.334 17.655 8.477
201 HA ARG 28 HA ARG 28 -25.998 20.335 8.354
202 HB2 ARG 28 HB2 ARG 28 -27.806 19.814 6.396
203 HB3 ARG 28 HB3 ARG 28 -26.230 20.498 6.056
204 HG2 ARG 28 HG2 ARG 28 -26.753 18.551 4.575
205 HG3 ARG 28 HG3 ARG 28 -25.309 18.285 5.532
206 HD2 ARG 28 HD2 ARG 28 -26.759 17.040 7.231
207 HD3 ARG 28 HD3 ARG 28 -28.097 17.178 6.108
208 HE ARG 28 HE ARG 28 -25.700 15.479 5.788
209 HH11 ARG 28 HH22 ARG 28 -28.593 16.830 4.254
210 HH12 ARG 28 HH21 ARG 28 -28.625 15.649 2.988
211 HH21 ARG 28 HH11 ARG 28 -26.938 13.948 2.927
212 H ASP 29 H ASP 29 -28.737 20.334 8.060
213 HA ASP 29 HA ASP 29 -30.577 19.826 9.090
214 HB2 ASP 29 HB2 ASP 29 -30.490 17.816 7.634
215 HB3 ASP 29 HB3 ASP 29 -29.536 16.966 8.832
216 HD2 ASP 29 HD2 ASP 29 -31.209 17.120 11.181
217 H TYR 30 H TYR 30 -29.418 20.884 11.042
218 HA TYR 30 HA TYR 30 -28.692 20.918 13.152
219 HB2 TYR 30 HB2 TYR 30 -30.870 18.772 12.971
220 HB3 TYR 30 HB3 TYR 30 -30.146 19.117 14.530
221 HD1 TYR 30 HD1 TYR 30 -31.338 21.257 11.673
222 HD2 TYR 30 HD2 TYR 30 -31.541 20.397 15.859
223 HE1 TYR 30 HE1 TYR 30 -32.952 23.193 12.000
224 HE2 TYR 30 HE2 TYR 30 -33.154 22.337 16.172
225 HH TYR 30 HH TYR 30 -34.575 23.693 15.047
226 H ASN 31 H ASN 31 -26.836 19.525 11.615
227 HA ASN 31 HA ASN 31 -26.254 16.988 12.205
228 HB2 ASN 31 HB2 ASN 31 -24.804 18.167 10.696
229 HB3 ASN 31 HB3 ASN 31 -24.467 19.430 11.862
230 HD21 ASN 31 HD21 ASN 31 -22.414 19.364 12.357
231 HD22 ASN 31 HD22 ASN 31 -21.482 17.969 12.787
232 H LYS 32 H LYS 32 -24.138 19.446 13.772
233 HA LYS 32 HA LYS 32 -24.357 17.929 16.261
234 HB2 LYS 32 HB2 LYS 32 -22.133 18.447 14.962
235 HB3 LYS 32 HB3 LYS 32 -22.268 20.021 15.720
236 HG2 LYS 32 HG2 LYS 32 -22.676 17.622 17.488
237 HG3 LYS 32 HG3 LYS 32 -21.045 17.921 16.923
238 HD2 LYS 32 HD2 LYS 32 -20.849 19.935 18.089
239 HD3 LYS 32 HD3 LYS 32 -22.564 20.284 17.998
240 HE2 LYS 32 HE2 LYS 32 -22.256 19.727 20.278
241 HE3 LYS 32 HE3 LYS 32 -22.882 18.240 19.594
242 HZ1 LYS 32 HZ1 LYS 32 -19.982 18.537 19.540
243 HZ2 LYS 32 HZ2 LYS 32 -20.641 18.317 21.014
Start of MODEL 17
1 H1 ARG 1 H ARG 1 -8.793 3.781 -1.897
2 HA ARG 1 HA ARG 1 -6.885 2.280 -2.696
3 HB2 ARG 1 HB2 ARG 1 -6.916 4.769 -1.616
4 HB3 ARG 1 HB3 ARG 1 -6.052 3.953 -0.328
5 HG2 ARG 1 HG2 ARG 1 -4.200 3.473 -1.671
6 HG3 ARG 1 HG3 ARG 1 -5.146 3.402 -3.144
7 HD2 ARG 1 HD2 ARG 1 -4.510 5.531 -3.611
8 HD3 ARG 1 HD3 ARG 1 -5.420 6.079 -2.217
9 HE ARG 1 HE ARG 1 -3.393 6.453 -1.135
10 HH11 ARG 1 HH22 ARG 1 -2.877 3.947 -3.585
11 HH12 ARG 1 HH21 ARG 1 -1.177 3.821 -3.278
12 HH21 ARG 1 HH11 ARG 1 -0.183 5.206 -1.592
13 H ARG 2 H ARG 2 -6.178 0.237 -2.159
14 HA ARG 2 HA ARG 2 -5.602 -1.502 -1.015
15 HB2 ARG 2 HB2 ARG 2 -4.883 0.457 1.225
16 HB3 ARG 2 HB3 ARG 2 -4.291 -1.186 1.087
17 HG2 ARG 2 HG2 ARG 2 -2.808 -0.666 -0.611
18 HG3 ARG 2 HG3 ARG 2 -3.876 0.522 -1.331
19 HD2 ARG 2 HD2 ARG 2 -1.761 1.472 -0.245
20 HD3 ARG 2 HD3 ARG 2 -3.262 2.212 0.275
21 HE ARG 2 HE ARG 2 -2.348 -0.059 1.928
22 HH11 ARG 2 HH22 ARG 2 -2.391 3.460 1.512
23 HH12 ARG 2 HH21 ARG 2 -2.024 3.785 3.172
24 HH21 ARG 2 HH11 ARG 2 -1.717 1.953 4.687
25 H SER 3 H SER 3 -8.384 -0.686 -0.848
26 HA SER 3 HA SER 3 -9.023 -1.498 1.876
27 HB2 SER 3 HB2 SER 3 -9.934 0.701 0.445
28 HB3 SER 3 HB3 SER 3 -11.226 -0.454 0.188
29 HG SER 3 HG SER 3 -10.249 -0.222 2.846
30 H ARG 4 H ARG 4 -8.389 -2.948 -0.915
31 HA ARG 4 HA ARG 4 -10.762 -4.249 -1.572
32 HB2 ARG 4 HB2 ARG 4 -8.138 -4.121 -2.580
33 HB3 ARG 4 HB3 ARG 4 -8.295 -5.796 -2.094
34 HG2 ARG 4 HG2 ARG 4 -10.745 -5.048 -3.414
35 HG3 ARG 4 HG3 ARG 4 -9.419 -4.486 -4.412
36 HD2 ARG 4 HD2 ARG 4 -8.460 -6.706 -4.565
37 HD3 ARG 4 HD3 ARG 4 -9.487 -7.318 -3.285
38 HE ARG 4 HE ARG 4 -10.961 -6.246 -5.593
39 HH11 ARG 4 HH22 ARG 4 -9.492 -9.130 -4.149
40 HH12 ARG 4 HH21 ARG 4 -10.452 -10.234 -5.076
41 HH21 ARG 4 HH11 ARG 4 -12.053 -9.374 -6.638
42 H LYS 5 H LYS 5 -8.435 -4.634 1.012
43 HA LYS 5 HA LYS 5 -9.368 -7.352 1.548
44 HB2 LYS 5 HB2 LYS 5 -7.011 -5.757 2.587
45 HB3 LYS 5 HB3 LYS 5 -7.483 -7.316 3.234
46 HG2 LYS 5 HG2 LYS 5 -7.024 -8.449 1.181
47 HG3 LYS 5 HG3 LYS 5 -7.052 -6.966 0.248
48 HD2 LYS 5 HD2 LYS 5 -4.982 -6.201 1.502
49 HD3 LYS 5 HD3 LYS 5 -4.931 -7.761 2.298
50 HE2 LYS 5 HE2 LYS 5 -5.189 -8.045 -0.623
51 HE3 LYS 5 HE3 LYS 5 -3.771 -7.112 -0.189
52 HZ1 LYS 5 HZ1 LYS 5 -2.782 -8.964 0.591
53 HZ2 LYS 5 HZ2 LYS 5 -4.062 -9.402 1.499
54 H ASN 6 H ASN 6 -9.254 -4.009 2.842
55 HA ASN 6 HA ASN 6 -10.364 -3.021 4.419
56 HB2 ASN 6 HB2 ASN 6 -12.225 -5.120 3.484
57 HB3 ASN 6 HB3 ASN 6 -12.538 -4.676 5.150
58 HD21 ASN 6 HD21 ASN 6 -13.094 -2.563 5.691
59 HD22 ASN 6 HD22 ASN 6 -13.702 -1.427 4.534
60 H GLY 7 H GLY 7 -9.004 -3.136 6.255
61 HA2 GLY 7 HA2 GLY 7 -9.690 -4.443 8.533
62 HA3 GLY 7 HA3 GLY 7 -8.661 -5.598 7.711
63 H ILE 8 H ILE 8 -8.548 -1.969 7.821
64 HA ILE 8 HA ILE 8 -6.671 -1.533 9.672
65 HB ILE 8 HB ILE 8 -5.490 -2.997 7.452
66 HG12 ILE 8 HG12 ILE 8 -3.994 -2.217 9.915
67 HG13 ILE 8 HG13 ILE 8 -5.428 -3.204 10.120
68 HG21 ILE 8 HG21 ILE 8 -3.367 -1.605 7.494
69 HG22 ILE 8 HG22 ILE 8 -4.736 -0.945 6.567
70 HG23 ILE 8 HG23 ILE 8 -4.357 -0.293 8.179
71 HD11 ILE 8 HD11 ILE 8 -3.425 -3.975 7.991
72 HD12 ILE 8 HD12 ILE 8 -3.079 -4.353 9.696
73 HD13 ILE 8 HD13 ILE 8 -4.538 -5.011 8.917
74 H GLY 9 H GLY 9 -7.846 -0.959 6.378
75 HA2 GLY 9 HA2 GLY 9 -7.099 1.880 6.583
76 HA3 GLY 9 HA3 GLY 9 -7.570 1.021 5.129
77 H TYR 10 H TYR 10 -9.711 -0.300 7.175
78 HA TYR 10 HA TYR 10 -11.843 1.346 6.292
79 HB2 TYR 10 HB2 TYR 10 -13.071 -0.478 7.183
80 HB3 TYR 10 HB3 TYR 10 -11.501 -1.248 7.051
81 HD1 TYR 10 HD1 TYR 10 -13.516 0.779 9.483
82 HD2 TYR 10 HD2 TYR 10 -10.613 -2.314 8.921
83 HE1 TYR 10 HE1 TYR 10 -13.538 0.295 11.979
84 HE2 TYR 10 HE2 TYR 10 -10.645 -2.788 11.419
85 HH TYR 10 HH TYR 10 -12.686 -2.312 13.315
86 H ALA 11 H ALA 11 -10.087 0.910 9.412
87 HA ALA 11 HA ALA 11 -11.803 2.377 11.014
88 HB1 ALA 11 HB1 ALA 11 -9.015 2.778 11.720
89 HB2 ALA 11 HB2 ALA 11 -10.252 1.785 12.529
90 HB3 ALA 11 HB3 ALA 11 -9.287 1.098 11.200
91 H ILE 12 H ILE 12 -8.805 3.481 9.269
92 HA ILE 12 HA ILE 12 -9.237 6.188 9.909
93 HB ILE 12 HB ILE 12 -7.048 5.495 9.448
94 HG12 ILE 12 HG12 ILE 12 -7.823 7.739 8.521
95 HG13 ILE 12 HG13 ILE 12 -6.311 7.100 7.908
96 HG21 ILE 12 HG21 ILE 12 -6.944 4.795 6.719
97 HG22 ILE 12 HG22 ILE 12 -6.651 3.756 8.133
98 HG23 ILE 12 HG23 ILE 12 -8.282 3.860 7.430
99 HD11 ILE 12 HD11 ILE 12 -8.460 6.065 6.272
100 HD12 ILE 12 HD12 ILE 12 -8.638 7.830 6.415
101 HD13 ILE 12 HD13 ILE 12 -7.120 7.136 5.797
102 H GLY 13 H GLY 13 -10.374 4.030 7.321
103 HA2 GLY 13 HA2 GLY 13 -11.239 6.068 5.543
104 HA3 GLY 13 HA3 GLY 13 -11.723 4.384 5.550
105 H TYR 14 H TYR 14 -12.591 4.544 8.468
106 HA TYR 14 HA TYR 14 -15.276 5.339 7.931
107 HB2 TYR 14 HB2 TYR 14 -14.930 3.481 9.426
108 HB3 TYR 14 HB3 TYR 14 -13.551 4.244 10.193
109 HD1 TYR 14 HD2 TYR 14 -13.886 5.984 11.935
110 HD2 TYR 14 HD1 TYR 14 -17.184 3.875 10.209
111 HE1 TYR 14 HE2 TYR 14 -15.379 6.739 13.848
112 HE2 TYR 14 HE1 TYR 14 -18.666 4.638 12.128
113 HH TYR 14 HH TYR 14 -17.757 7.104 14.237
114 H ALA 15 H ALA 15 -12.572 6.590 9.989
115 HA ALA 15 HA ALA 15 -14.130 8.721 11.027
116 HB1 ALA 15 HB1 ALA 15 -11.799 9.538 11.718
117 HB2 ALA 15 HB2 ALA 15 -12.289 7.936 12.320
118 HB3 ALA 15 HB3 ALA 15 -11.168 8.064 10.945
119 H PHE 16 H PHE 16 -11.563 8.460 8.473
120 HA PHE 16 HA PHE 16 -11.757 11.179 7.758
121 HB2 PHE 16 HB2 PHE 16 -9.960 9.222 7.364
122 HB3 PHE 16 HB3 PHE 16 -10.916 8.871 5.938
123 HD1 PHE 16 HD2 PHE 16 -11.582 11.981 5.625
124 HD2 PHE 16 HD1 PHE 16 -8.021 9.695 5.941
125 HE1 PHE 16 HE2 PHE 16 -10.336 13.748 4.352
126 HE2 PHE 16 HE1 PHE 16 -6.775 11.462 4.667
127 HZ PHE 16 HZ PHE 16 -7.946 13.468 3.888
128 H GLY 17 H GLY 17 -12.935 8.136 6.146
129 HA2 GLY 17 HA2 GLY 17 -14.243 9.350 4.017
130 HA3 GLY 17 HA3 GLY 17 -14.619 7.783 4.704
131 H ALA 18 H ALA 18 -15.034 9.309 7.436
132 HA ALA 18 HA ALA 18 -17.848 9.568 7.111
133 HB1 ALA 18 HB1 ALA 18 -15.832 9.757 9.323
134 HB2 ALA 18 HB2 ALA 18 -17.429 10.500 9.583
135 HB3 ALA 18 HB3 ALA 18 -17.306 8.766 9.204
136 H VAL 19 H VAL 19 -15.121 11.861 7.802
137 HA VAL 19 HA VAL 19 -16.794 14.134 7.782
138 HB VAL 19 HB VAL 19 -14.630 15.347 7.636
139 HG11 VAL 19 HG11 VAL 19 -15.027 13.162 9.685
140 HG12 VAL 19 HG12 VAL 19 -13.687 14.327 9.802
141 HG13 VAL 19 HG13 VAL 19 -15.370 14.903 9.823
142 HG21 VAL 19 HG21 VAL 19 -13.542 13.501 6.222
143 HG22 VAL 19 HG22 VAL 19 -12.548 14.254 7.492
144 HG23 VAL 19 HG23 VAL 19 -13.271 12.650 7.762
145 H GLU 20 H GLU 20 -14.964 12.318 5.302
146 HA GLU 20 HA GLU 20 -15.209 14.302 3.339
147 HB2 GLU 20 HB2 GLU 20 -14.761 11.294 3.087
148 HB3 GLU 20 HB3 GLU 20 -14.577 12.436 1.770
149 HG2 GLU 20 HG2 GLU 20 -13.095 13.089 4.295
150 HG3 GLU 20 HG3 GLU 20 -12.523 11.691 3.406
151 HE2 GLU 20 HE2 GLU 20 -11.484 15.200 2.129
152 H ARG 21 H ARG 21 -17.293 11.667 4.505
153 HA ARG 21 HA ARG 21 -18.909 11.345 2.347
154 HB2 ARG 21 HB2 ARG 21 -19.043 10.850 5.241
155 HB3 ARG 21 HB3 ARG 21 -20.628 11.243 4.605
156 HG2 ARG 21 HG2 ARG 21 -20.563 9.433 3.017
157 HG3 ARG 21 HG3 ARG 21 -18.838 9.202 3.228
158 HD2 ARG 21 HD2 ARG 21 -20.113 7.441 4.425
159 HD3 ARG 21 HD3 ARG 21 -19.194 8.417 5.555
160 HE ARG 21 HE ARG 21 -21.202 9.134 6.505
161 HH11 ARG 21 HH22 ARG 21 -21.878 7.944 3.237
162 HH12 ARG 21 HH21 ARG 21 -23.595 8.111 3.398
163 HH21 ARG 21 HH11 ARG 21 -24.507 8.942 5.453
164 H ALA 22 H ALA 22 -19.001 13.839 4.954
165 HA ALA 22 HA ALA 22 -21.440 14.995 4.251
166 HB1 ALA 22 HB1 ALA 22 -18.942 16.039 5.630
167 HB2 ALA 22 HB2 ALA 22 -20.435 16.997 5.474
168 HB3 ALA 22 HB3 ALA 22 -20.450 15.465 6.380
169 H VAL 23 H VAL 23 -18.097 15.422 3.022
170 HA VAL 23 HA VAL 23 -18.699 17.711 1.477
171 HB VAL 23 HB VAL 23 -16.484 15.665 1.470
172 HG11 VAL 23 HG11 VAL 23 -17.192 17.496 -0.645
173 HG12 VAL 23 HG12 VAL 23 -15.631 17.967 0.069
174 HG13 VAL 23 HG13 VAL 23 -15.857 16.321 -0.568
175 HG21 VAL 23 HG21 VAL 23 -17.007 17.757 3.180
176 HG22 VAL 23 HG22 VAL 23 -15.408 17.028 2.899
177 HG23 VAL 23 HG23 VAL 23 -15.885 18.495 2.011
178 H LEU 24 H LEU 24 -19.028 14.201 1.029
179 HA LEU 24 HA LEU 24 -19.645 14.593 -1.788
180 HB2 LEU 24 HB2 LEU 24 -19.522 12.037 -0.186
181 HB3 LEU 24 HB3 LEU 24 -19.621 12.188 -1.929
182 HG LEU 24 HG LEU 24 -17.286 12.959 -0.164
183 HD11 LEU 24 HD11 LEU 24 -16.557 10.897 -0.518
184 HD12 LEU 24 HD12 LEU 24 -18.026 10.526 -1.452
185 HD13 LEU 24 HD13 LEU 24 -16.590 11.180 -2.276
186 HD21 LEU 24 HD21 LEU 24 -17.993 13.830 -2.882
187 HD22 LEU 24 HD22 LEU 24 -16.851 14.524 -1.706
188 HD23 LEU 24 HD23 LEU 24 -16.354 13.153 -2.727
189 H GLY 25 H GLY 25 -21.265 15.450 0.777
190 HA2 GLY 25 HA2 GLY 25 -23.484 15.834 1.046
191 HA3 GLY 25 HA3 GLY 25 -23.829 14.888 -0.389
192 H GLY 26 H GLY 26 -23.574 14.884 3.113
193 HA2 GLY 26 HA2 GLY 26 -24.839 12.254 3.185
194 HA3 GLY 26 HA3 GLY 26 -23.295 12.411 3.997
195 H SER 27 H SER 27 -23.106 13.634 5.934
196 HA SER 27 HA SER 27 -25.224 15.264 6.806
197 HB2 SER 27 HB2 SER 27 -26.148 13.965 8.576
198 HB3 SER 27 HB3 SER 27 -26.129 12.893 7.189
199 HG SER 27 HG SER 27 -24.635 12.778 9.584
200 H ARG 28 H ARG 28 -24.602 16.479 8.711
201 HA ARG 28 HA ARG 28 -22.329 15.713 10.173
202 HB2 ARG 28 HB2 ARG 28 -20.768 17.448 9.483
203 HB3 ARG 28 HB3 ARG 28 -21.271 16.598 8.036
204 HG2 ARG 28 HG2 ARG 28 -21.553 18.799 7.324
205 HG3 ARG 28 HG3 ARG 28 -23.162 18.474 7.940
206 HD2 ARG 28 HD2 ARG 28 -21.700 19.330 10.210
207 HD3 ARG 28 HD3 ARG 28 -21.154 20.381 8.919
208 HE ARG 28 HE ARG 28 -23.808 20.346 10.120
209 HH11 ARG 28 HH22 ARG 28 -22.046 21.109 7.143
210 HH12 ARG 28 HH21 ARG 28 -23.234 22.237 6.581
211 HH21 ARG 28 HH11 ARG 28 -25.184 22.648 7.913
212 H ASP 29 H ASP 29 -22.228 16.909 12.142
213 HA ASP 29 HA ASP 29 -23.504 19.419 12.341
214 HB2 ASP 29 HB2 ASP 29 -24.927 16.922 13.191
215 HB3 ASP 29 HB3 ASP 29 -24.963 18.241 14.343
216 HD2 ASP 29 HD2 ASP 29 -26.400 20.093 13.657
217 H TYR 30 H TYR 30 -22.444 16.378 14.016
218 HA TYR 30 HA TYR 30 -21.389 17.953 16.231
219 HB2 TYR 30 HB2 TYR 30 -22.308 15.184 15.581
220 HB3 TYR 30 HB3 TYR 30 -20.826 15.183 16.517
221 HD1 TYR 30 HD2 TYR 30 -21.107 17.347 18.409
222 HD2 TYR 30 HD1 TYR 30 -24.093 14.649 16.960
223 HE1 TYR 30 HE2 TYR 30 -22.457 17.688 20.537
224 HE2 TYR 30 HE1 TYR 30 -25.434 14.998 19.093
225 HH TYR 30 HH TYR 30 -24.202 16.196 21.818
226 H ASN 31 H ASN 31 -19.166 17.612 16.993
227 HA ASN 31 HA ASN 31 -17.432 17.097 14.716
228 HB2 ASN 31 HB2 ASN 31 -16.856 18.583 17.334
229 HB3 ASN 31 HB3 ASN 31 -15.733 18.430 15.997
230 HD21 ASN 31 HD21 ASN 31 -18.430 20.074 17.304
231 HD22 ASN 31 HD22 ASN 31 -18.703 21.219 16.034
232 H LYS 32 H LYS 32 -17.896 14.693 15.363
233 HA LYS 32 HA LYS 32 -17.333 12.793 16.346
234 HB2 LYS 32 HB2 LYS 32 -14.809 14.369 16.253
235 HB3 LYS 32 HB3 LYS 32 -14.792 12.917 17.233
236 HG2 LYS 32 HG2 LYS 32 -15.278 11.503 15.392
237 HG3 LYS 32 HG3 LYS 32 -15.965 12.805 14.441
238 HD2 LYS 32 HD2 LYS 32 -13.888 12.581 13.401
239 HD3 LYS 32 HD3 LYS 32 -13.516 13.828 14.574
240 HE2 LYS 32 HE2 LYS 32 -11.968 12.494 15.561
241 HE3 LYS 32 HE3 LYS 32 -13.177 11.262 15.864
242 HZ1 LYS 32 HZ1 LYS 32 -11.661 11.570 13.327
243 HZ2 LYS 32 HZ2 LYS 32 -11.420 10.402 14.436
Start of MODEL 18
1 H1 ARG 1 H ARG 1 -7.333 3.537 2.645
2 HA ARG 1 HA ARG 1 -5.787 5.572 3.104
3 HB2 ARG 1 HB2 ARG 1 -7.857 5.656 5.148
4 HB3 ARG 1 HB3 ARG 1 -6.311 5.375 5.922
5 HG2 ARG 1 HG2 ARG 1 -6.116 7.423 3.813
6 HG3 ARG 1 HG3 ARG 1 -7.306 7.853 5.026
7 HD2 ARG 1 HD2 ARG 1 -5.710 7.845 6.789
8 HD3 ARG 1 HD3 ARG 1 -4.586 6.834 5.901
9 HE ARG 1 HE ARG 1 -3.796 8.733 4.732
10 HH11 ARG 1 HH22 ARG 1 -6.658 9.581 6.640
11 HH12 ARG 1 HH21 ARG 1 -6.447 11.287 6.427
12 HH21 ARG 1 HH11 ARG 1 -4.593 12.089 5.138
13 H ARG 2 H ARG 2 -7.111 2.611 4.630
14 HA ARG 2 HA ARG 2 -4.398 1.856 5.334
15 HB2 ARG 2 HB2 ARG 2 -7.122 0.831 6.256
16 HB3 ARG 2 HB3 ARG 2 -5.634 -0.006 6.648
17 HG2 ARG 2 HG2 ARG 2 -6.194 2.920 7.328
18 HG3 ARG 2 HG3 ARG 2 -6.399 1.590 8.449
19 HD2 ARG 2 HD2 ARG 2 -3.932 1.001 8.056
20 HD3 ARG 2 HD3 ARG 2 -3.788 2.493 7.148
21 HE ARG 2 HE ARG 2 -4.984 3.149 9.641
22 HH11 ARG 2 HH22 ARG 2 -1.885 1.922 8.439
23 HH12 ARG 2 HH21 ARG 2 -0.972 2.588 9.750
24 HH21 ARG 2 HH11 ARG 2 -2.106 3.822 11.463
25 H SER 3 H SER 3 -5.213 1.819 2.567
26 HA SER 3 HA SER 3 -6.121 -0.762 1.891
27 HB2 SER 3 HB2 SER 3 -5.734 1.713 0.575
28 HB3 SER 3 HB3 SER 3 -4.646 0.605 -0.240
29 HG SER 3 HG SER 3 -6.703 0.521 -1.250
30 H ARG 4 H ARG 4 -3.165 0.409 3.088
31 HA ARG 4 HA ARG 4 -1.591 -1.458 1.558
32 HB2 ARG 4 HB2 ARG 4 -0.825 0.593 3.695
33 HB3 ARG 4 HB3 ARG 4 0.335 -0.433 2.875
34 HG2 ARG 4 HG2 ARG 4 0.169 0.723 0.874
35 HG3 ARG 4 HG3 ARG 4 -1.532 1.084 1.093
36 HD2 ARG 4 HD2 ARG 4 -0.892 3.191 1.674
37 HD3 ARG 4 HD3 ARG 4 -0.322 2.508 3.184
38 HE ARG 4 HE ARG 4 1.831 2.998 2.458
39 HH11 ARG 4 HH22 ARG 4 -0.146 2.303 -0.400
40 HH12 ARG 4 HH21 ARG 4 1.154 2.558 -1.515
41 HH21 ARG 4 HH11 ARG 4 3.318 3.162 -0.677
42 H LYS 5 H LYS 5 -3.400 -1.266 4.487
43 HA LYS 5 HA LYS 5 -1.752 -3.286 5.804
44 HB2 LYS 5 HB2 LYS 5 -3.003 -1.039 6.781
45 HB3 LYS 5 HB3 LYS 5 -4.160 -2.292 7.182
46 HG2 LYS 5 HG2 LYS 5 -2.446 -3.593 8.357
47 HG3 LYS 5 HG3 LYS 5 -1.180 -2.513 7.809
48 HD2 LYS 5 HD2 LYS 5 -1.820 -0.785 9.267
49 HD3 LYS 5 HD3 LYS 5 -3.486 -1.321 9.348
50 HE2 LYS 5 HE2 LYS 5 -2.051 -3.495 10.410
51 HE3 LYS 5 HE3 LYS 5 -1.191 -2.099 11.029
52 HZ1 LYS 5 HZ1 LYS 5 -3.788 -3.041 11.752
53 HZ2 LYS 5 HZ2 LYS 5 -2.845 -1.965 12.530
54 H ASN 6 H ASN 6 -5.023 -2.675 4.434
55 HA ASN 6 HA ASN 6 -5.473 -5.544 4.694
56 HB2 ASN 6 HB2 ASN 6 -7.289 -3.143 4.907
57 HB3 ASN 6 HB3 ASN 6 -7.974 -4.586 4.189
58 HD21 ASN 6 HD21 ASN 6 -8.998 -3.630 6.491
59 HD22 ASN 6 HD22 ASN 6 -8.636 -4.664 7.832
60 H GLY 7 H GLY 7 -7.345 -3.122 2.796
61 HA2 GLY 7 HA2 GLY 7 -7.089 -2.622 0.518
62 HA3 GLY 7 HA3 GLY 7 -6.145 -4.080 0.291
63 H ILE 8 H ILE 8 -9.357 -3.513 1.894
64 HA ILE 8 HA ILE 8 -10.897 -4.541 -0.177
65 HB ILE 8 HB ILE 8 -9.434 -6.573 0.702
66 HG12 ILE 8 HG12 ILE 8 -11.516 -8.030 0.105
67 HG13 ILE 8 HG13 ILE 8 -12.292 -6.498 -0.242
68 HG21 ILE 8 HG21 ILE 8 -10.228 -6.290 3.046
69 HG22 ILE 8 HG22 ILE 8 -11.867 -6.720 2.501
70 HG23 ILE 8 HG23 ILE 8 -10.544 -7.904 2.364
71 HD11 ILE 8 HD11 ILE 8 -10.924 -7.809 -2.127
72 HD12 ILE 8 HD12 ILE 8 -10.901 -6.031 -2.052
73 HD13 ILE 8 HD13 ILE 8 -9.543 -6.967 -1.384
74 H GLY 9 H GLY 9 -10.345 -4.204 3.353
75 HA2 GLY 9 HA2 GLY 9 -13.196 -3.845 3.837
76 HA3 GLY 9 HA3 GLY 9 -11.905 -3.887 5.021
77 H TYR 10 H TYR 10 -10.452 -1.944 2.898
78 HA TYR 10 HA TYR 10 -11.080 0.415 4.335
79 HB2 TYR 10 HB2 TYR 10 -9.194 1.169 3.108
80 HB3 TYR 10 HB3 TYR 10 -8.968 -0.559 2.921
81 HD1 TYR 10 HD2 TYR 10 -10.700 2.314 1.239
82 HD2 TYR 10 HD1 TYR 10 -8.678 -1.428 0.781
83 HE1 TYR 10 HE2 TYR 10 -10.785 2.570 -1.289
84 HE2 TYR 10 HE1 TYR 10 -8.769 -1.159 -1.746
85 HH TYR 10 HH TYR 10 -9.655 -0.026 -3.402
86 H ALA 11 H ALA 11 -11.960 -0.902 1.101
87 HA ALA 11 HA ALA 11 -13.076 1.403 0.046
88 HB1 ALA 11 HB1 ALA 11 -13.005 -1.461 -0.494
89 HB2 ALA 11 HB2 ALA 11 -14.596 -0.770 -0.894
90 HB3 ALA 11 HB3 ALA 11 -13.121 -0.097 -1.631
91 H ILE 12 H ILE 12 -14.703 -1.325 1.820
92 HA ILE 12 HA ILE 12 -17.179 0.011 1.926
93 HB ILE 12 HB ILE 12 -17.186 -2.325 2.051
94 HG12 ILE 12 HG12 ILE 12 -18.372 -2.801 4.128
95 HG13 ILE 12 HG13 ILE 12 -17.729 -1.350 4.870
96 HG21 ILE 12 HG21 ILE 12 -16.063 -3.449 4.122
97 HG22 ILE 12 HG22 ILE 12 -15.085 -3.025 2.696
98 HG23 ILE 12 HG23 ILE 12 -15.057 -1.980 4.138
99 HD11 ILE 12 HD11 ILE 12 -19.267 -1.160 2.264
100 HD12 ILE 12 HD12 ILE 12 -20.128 -1.267 3.819
101 HD13 ILE 12 HD13 ILE 12 -19.018 0.090 3.508
102 H GLY 13 H GLY 13 -14.252 0.025 3.946
103 HA2 GLY 13 HA2 GLY 13 -15.432 1.212 6.238
104 HA3 GLY 13 HA3 GLY 13 -13.730 1.143 5.832
105 H TYR 14 H TYR 14 -14.228 2.436 3.115
106 HA TYR 14 HA TYR 14 -13.927 5.125 4.013
107 HB2 TYR 14 HB2 TYR 14 -12.675 4.439 2.071
108 HB3 TYR 14 HB3 TYR 14 -14.010 3.498 1.437
109 HD1 TYR 14 HD1 TYR 14 -12.829 6.994 1.964
110 HD2 TYR 14 HD2 TYR 14 -15.489 4.412 -0.170
111 HE1 TYR 14 HE1 TYR 14 -13.446 8.906 0.406
112 HE2 TYR 14 HE2 TYR 14 -16.099 6.333 -1.720
113 HH TYR 14 HH TYR 14 -15.266 9.550 -1.016
114 H ALA 15 H ALA 15 -16.440 3.281 2.169
115 HA ALA 15 HA ALA 15 -18.093 5.559 1.821
116 HB1 ALA 15 HB1 ALA 15 -19.505 3.026 1.720
117 HB2 ALA 15 HB2 ALA 15 -19.101 4.144 0.395
118 HB3 ALA 15 HB3 ALA 15 -17.935 2.893 0.889
119 H PHE 16 H PHE 16 -18.155 2.697 4.051
120 HA PHE 16 HA PHE 16 -20.419 3.623 5.452
121 HB2 PHE 16 HB2 PHE 16 -19.145 1.268 5.214
122 HB3 PHE 16 HB3 PHE 16 -18.189 1.851 6.562
123 HD1 PHE 16 HD2 PHE 16 -20.731 3.396 7.713
124 HD2 PHE 16 HD1 PHE 16 -19.932 -0.612 6.567
125 HE1 PHE 16 HE2 PHE 16 -22.491 2.588 9.311
126 HE2 PHE 16 HE1 PHE 16 -21.691 -1.419 8.165
127 HZ PHE 16 HZ PHE 16 -22.950 0.190 9.518
128 H GLY 17 H GLY 17 -16.880 3.547 6.298
129 HA2 GLY 17 HA2 GLY 17 -17.074 4.841 8.748
130 HA3 GLY 17 HA3 GLY 17 -15.668 4.814 7.702
131 H ALA 18 H ALA 18 -17.487 6.079 5.479
132 HA ALA 18 HA ALA 18 -16.728 8.753 6.049
133 HB1 ALA 18 HB1 ALA 18 -18.079 7.244 3.836
134 HB2 ALA 18 HB2 ALA 18 -18.273 9.012 3.882
135 HB3 ALA 18 HB3 ALA 18 -16.645 8.297 3.787
136 H VAL 19 H VAL 19 -19.892 6.993 5.822
137 HA VAL 19 HA VAL 19 -21.403 9.272 6.537
138 HB VAL 19 HB VAL 19 -23.207 7.582 6.861
139 HG11 VAL 19 HG11 VAL 19 -23.259 6.855 4.472
140 HG12 VAL 19 HG12 VAL 19 -22.895 8.585 4.686
141 HG13 VAL 19 HG13 VAL 19 -21.587 7.442 4.298
142 HG21 VAL 19 HG21 VAL 19 -21.565 5.771 7.624
143 HG22 VAL 19 HG22 VAL 19 -22.864 5.271 6.516
144 HG23 VAL 19 HG23 VAL 19 -21.214 5.520 5.897
145 H GLU 20 H GLU 20 -19.756 6.658 8.322
146 HA GLU 20 HA GLU 20 -21.064 7.192 10.750
147 HB2 GLU 20 HB2 GLU 20 -18.368 5.846 10.271
148 HB3 GLU 20 HB3 GLU 20 -19.324 5.734 11.735
149 HG2 GLU 20 HG2 GLU 20 -21.065 5.038 9.562
150 HG3 GLU 20 HG3 GLU 20 -19.559 4.182 9.293
151 HE2 GLU 20 HE2 GLU 20 -20.679 1.822 11.524
152 H ARG 21 H ARG 21 -18.234 8.520 9.064
153 HA ARG 21 HA ARG 21 -16.898 9.610 11.166
154 HB2 ARG 21 HB2 ARG 21 -17.023 9.971 8.267
155 HB3 ARG 21 HB3 ARG 21 -16.778 11.522 9.045
156 HG2 ARG 21 HG2 ARG 21 -14.673 10.970 9.802
157 HG3 ARG 21 HG3 ARG 21 -15.117 9.314 10.160
158 HD2 ARG 21 HD2 ARG 21 -13.660 9.031 8.332
159 HD3 ARG 21 HD3 ARG 21 -15.225 9.013 7.543
160 HE ARG 21 HE ARG 21 -14.675 11.020 6.480
161 HH11 ARG 21 HH22 ARG 21 -12.555 10.622 9.291
162 HH12 ARG 21 HH21 ARG 21 -11.583 12.003 8.909
163 HH21 ARG 21 HH11 ARG 21 -12.094 13.295 6.956
164 H ALA 22 H ALA 22 -19.804 10.773 9.402
165 HA ALA 22 HA ALA 22 -19.868 13.352 10.486
166 HB1 ALA 22 HB1 ALA 22 -22.226 11.636 9.627
167 HB2 ALA 22 HB2 ALA 22 -22.111 13.412 9.613
168 HB3 ALA 22 HB3 ALA 22 -21.132 12.450 8.482
169 H VAL 23 H VAL 23 -21.184 10.184 11.591
170 HA VAL 23 HA VAL 23 -22.649 11.217 13.740
171 HB VAL 23 HB VAL 23 -21.371 8.510 13.311
172 HG11 VAL 23 HG11 VAL 23 -23.419 7.876 14.841
173 HG12 VAL 23 HG12 VAL 23 -21.889 8.432 15.560
174 HG13 VAL 23 HG13 VAL 23 -23.258 9.558 15.399
175 HG21 VAL 23 HG21 VAL 23 -24.291 8.950 12.941
176 HG22 VAL 23 HG22 VAL 23 -23.213 9.636 11.701
177 HG23 VAL 23 HG23 VAL 23 -23.165 7.893 12.056
178 H LEU 24 H LEU 24 -19.232 10.139 13.381
179 HA LEU 24 HA LEU 24 -18.664 10.429 16.146
180 HB2 LEU 24 HB2 LEU 24 -16.756 10.365 13.806
181 HB3 LEU 24 HB3 LEU 24 -16.371 10.065 15.490
182 HG LEU 24 HG LEU 24 -17.976 8.332 13.608
183 HD11 LEU 24 HD11 LEU 24 -15.262 8.408 14.290
184 HD12 LEU 24 HD12 LEU 24 -15.933 7.024 15.185
185 HD13 LEU 24 HD13 LEU 24 -16.126 7.119 13.418
186 HD21 LEU 24 HD21 LEU 24 -19.129 8.492 15.812
187 HD22 LEU 24 HD22 LEU 24 -18.544 6.859 15.415
188 HD23 LEU 24 HD23 LEU 24 -17.652 7.865 16.582
189 H GLY 25 H GLY 25 -18.920 12.595 13.395
190 HA2 GLY 25 HA2 GLY 25 -19.226 14.937 14.190
191 HA3 GLY 25 HA3 GLY 25 -17.687 14.748 15.009
192 H GLY 26 H GLY 26 -18.754 16.465 12.619
193 HA2 GLY 26 HA2 GLY 26 -16.500 17.002 11.282
194 HA3 GLY 26 HA3 GLY 26 -17.068 15.582 10.428
195 H SER 27 H SER 27 -17.607 19.003 11.100
196 HA SER 27 HA SER 27 -19.505 19.013 8.915
197 HB2 SER 27 HB2 SER 27 -20.425 19.191 11.506
198 HB3 SER 27 HB3 SER 27 -20.170 20.885 11.134
199 HG SER 27 HG SER 27 -21.382 20.154 8.995
200 H ARG 28 H ARG 28 -20.080 21.926 9.454
201 HA ARG 28 HA ARG 28 -19.301 23.873 8.935
202 HB2 ARG 28 HB2 ARG 28 -16.767 22.722 10.175
203 HB3 ARG 28 HB3 ARG 28 -16.790 24.354 9.539
204 HG2 ARG 28 HG2 ARG 28 -17.589 24.991 11.571
205 HG3 ARG 28 HG3 ARG 28 -19.117 24.294 11.074
206 HD2 ARG 28 HD2 ARG 28 -18.933 22.798 12.774
207 HD3 ARG 28 HD3 ARG 28 -17.561 22.084 11.951
208 HE ARG 28 HE ARG 28 -16.632 24.409 13.312
209 HH11 ARG 28 HH22 ARG 28 -17.921 21.201 14.088
210 HH12 ARG 28 HH21 ARG 28 -17.086 21.094 15.603
211 HH21 ARG 28 HH11 ARG 28 -15.687 22.911 16.301
212 H ASP 29 H ASP 29 -19.508 23.861 6.664
213 HA ASP 29 HA ASP 29 -17.114 22.997 5.241
214 HB2 ASP 29 HB2 ASP 29 -20.046 22.706 4.676
215 HB3 ASP 29 HB3 ASP 29 -19.032 23.060 3.293
216 HD2 ASP 29 HD2 ASP 29 -19.629 19.900 5.214
217 H TYR 30 H TYR 30 -20.092 24.869 4.317
218 HA TYR 30 HA TYR 30 -18.333 27.127 3.631
219 HB2 TYR 30 HB2 TYR 30 -20.377 25.527 2.243
220 HB3 TYR 30 HB3 TYR 30 -20.928 27.188 2.342
221 HD1 TYR 30 HD2 TYR 30 -17.597 25.561 1.698
222 HD2 TYR 30 HD1 TYR 30 -20.561 28.348 0.375
223 HE1 TYR 30 HE2 TYR 30 -16.147 26.166 -0.300
224 HE2 TYR 30 HE1 TYR 30 -19.100 28.944 -1.618
225 HH TYR 30 HH TYR 30 -15.870 27.532 -1.971
226 H ASN 31 H ASN 31 -20.081 26.235 6.139
227 HA ASN 31 HA ASN 31 -20.522 28.570 7.235
228 HB2 ASN 31 HB2 ASN 31 -22.570 28.139 5.126
229 HB3 ASN 31 HB3 ASN 31 -23.276 28.487 6.692
230 HD21 ASN 31 HD21 ASN 31 -23.632 30.223 4.664
231 HD22 ASN 31 HD22 ASN 31 -22.748 31.691 4.911
232 H LYS 32 H LYS 32 -21.724 25.342 6.445
233 HA LYS 32 HA LYS 32 -22.079 24.744 9.214
234 HB2 LYS 32 HB2 LYS 32 -24.479 23.889 8.768
235 HB3 LYS 32 HB3 LYS 32 -24.232 25.588 9.112
236 HG2 LYS 32 HG2 LYS 32 -24.789 26.250 6.971
237 HG3 LYS 32 HG3 LYS 32 -24.031 24.857 6.225
238 HD2 LYS 32 HD2 LYS 32 -26.166 24.122 5.883
239 HD3 LYS 32 HD3 LYS 32 -26.113 23.642 7.567
240 HE2 LYS 32 HE2 LYS 32 -26.863 26.499 6.961
241 HE3 LYS 32 HE3 LYS 32 -28.048 25.260 6.601
242 HZ1 LYS 32 HZ1 LYS 32 -26.888 25.932 9.230
243 HZ2 LYS 32 HZ2 LYS 32 -28.460 25.801 8.825
Start of MODEL 19
1 H1 ARG 1 H ARG 1 1.059 -9.625 1.919
2 HA ARG 1 HA ARG 1 -0.983 -9.208 2.881
3 HB2 ARG 1 HB2 ARG 1 0.402 -6.729 1.818
4 HB3 ARG 1 HB3 ARG 1 -1.079 -6.541 2.734
5 HG2 ARG 1 HG2 ARG 1 0.662 -8.430 4.102
6 HG3 ARG 1 HG3 ARG 1 1.560 -6.967 3.750
7 HD2 ARG 1 HD2 ARG 1 -1.229 -6.706 4.894
8 HD3 ARG 1 HD3 ARG 1 0.077 -7.167 5.969
9 HE ARG 1 HE ARG 1 0.756 -4.861 4.304
10 HH11 ARG 1 HH22 ARG 1 -0.840 -5.863 7.303
11 HH12 ARG 1 HH21 ARG 1 -0.648 -4.321 8.067
12 HH21 ARG 1 HH11 ARG 1 0.443 -2.550 6.877
13 H ARG 2 H ARG 2 -3.234 -8.671 2.679
14 HA ARG 2 HA ARG 2 -4.011 -7.919 -0.022
15 HB2 ARG 2 HB2 ARG 2 -5.992 -9.429 0.211
16 HB3 ARG 2 HB3 ARG 2 -4.487 -10.321 0.321
17 HG2 ARG 2 HG2 ARG 2 -5.199 -9.416 2.978
18 HG3 ARG 2 HG3 ARG 2 -6.608 -10.173 2.261
19 HD2 ARG 2 HD2 ARG 2 -5.390 -12.235 1.826
20 HD3 ARG 2 HD3 ARG 2 -3.853 -11.485 2.208
21 HE ARG 2 HE ARG 2 -4.277 -11.854 4.475
22 HH11 ARG 2 HH22 ARG 2 -7.355 -11.987 2.725
23 HH12 ARG 2 HH21 ARG 2 -8.266 -12.478 4.114
24 HH21 ARG 2 HH11 ARG 2 -7.142 -12.776 6.209
25 H SER 3 H SER 3 -3.912 -5.717 1.160
26 HA SER 3 HA SER 3 -6.364 -5.362 2.701
27 HB2 SER 3 HB2 SER 3 -3.729 -3.834 2.790
28 HB3 SER 3 HB3 SER 3 -5.186 -3.265 3.580
29 HG SER 3 HG SER 3 -3.610 -5.596 4.166
30 H ARG 4 H ARG 4 -4.850 -4.868 -0.296
31 HA ARG 4 HA ARG 4 -5.421 -2.309 -0.965
32 HB2 ARG 4 HB2 ARG 4 -4.560 -4.616 -2.294
33 HB3 ARG 4 HB3 ARG 4 -6.067 -4.256 -3.112
34 HG2 ARG 4 HG2 ARG 4 -5.312 -2.173 -3.902
35 HG3 ARG 4 HG3 ARG 4 -4.146 -1.982 -2.609
36 HD2 ARG 4 HD2 ARG 4 -3.385 -4.349 -4.036
37 HD3 ARG 4 HD3 ARG 4 -3.756 -3.138 -5.248
38 HE ARG 4 HE ARG 4 -1.458 -3.147 -3.525
39 HH11 ARG 4 HH22 ARG 4 -3.811 -0.898 -4.925
40 HH12 ARG 4 HH21 ARG 4 -2.728 0.452 -4.891
41 HH21 ARG 4 HH11 ARG 4 -0.508 0.154 -4.037
42 H LYS 5 H LYS 5 -7.613 -4.927 -0.244
43 HA LYS 5 HA LYS 5 -9.814 -3.717 -1.694
44 HB2 LYS 5 HB2 LYS 5 -9.412 -6.207 -1.601
45 HB3 LYS 5 HB3 LYS 5 -9.821 -6.159 0.101
46 HG2 LYS 5 HG2 LYS 5 -12.074 -5.551 -0.313
47 HG3 LYS 5 HG3 LYS 5 -11.717 -4.915 -1.906
48 HD2 LYS 5 HD2 LYS 5 -11.129 -7.315 -2.616
49 HD3 LYS 5 HD3 LYS 5 -11.767 -7.850 -1.075
50 HE2 LYS 5 HE2 LYS 5 -13.911 -7.681 -1.815
51 HE3 LYS 5 HE3 LYS 5 -13.663 -6.030 -2.345
52 HZ1 LYS 5 HZ1 LYS 5 -12.657 -6.914 -4.398
53 HZ2 LYS 5 HZ2 LYS 5 -12.917 -8.444 -3.908
54 H ASN 6 H ASN 6 -8.430 -3.946 1.569
55 HA ASN 6 HA ASN 6 -9.768 -1.716 2.435
56 HB2 ASN 6 HB2 ASN 6 -11.487 -2.562 3.921
57 HB3 ASN 6 HB3 ASN 6 -11.766 -3.328 2.370
58 HD21 ASN 6 HD21 ASN 6 -9.697 -5.194 2.362
59 HD22 ASN 6 HD22 ASN 6 -9.997 -6.413 3.556
60 H GLY 7 H GLY 7 -8.777 -1.063 4.427
61 HA2 GLY 7 HA2 GLY 7 -7.939 -2.045 6.599
62 HA3 GLY 7 HA3 GLY 7 -6.898 -3.028 5.587
63 H ILE 8 H ILE 8 -7.027 -0.209 7.402
64 HA ILE 8 HA ILE 8 -5.359 1.255 7.750
65 HB ILE 8 HB ILE 8 -4.067 -0.448 6.086
66 HG12 ILE 8 HG12 ILE 8 -2.141 1.411 6.452
67 HG13 ILE 8 HG13 ILE 8 -3.328 2.005 7.595
68 HG21 ILE 8 HG21 ILE 8 -4.938 1.210 4.217
69 HG22 ILE 8 HG22 ILE 8 -3.516 2.154 4.726
70 HG23 ILE 8 HG23 ILE 8 -3.315 0.484 4.142
71 HD11 ILE 8 HD11 ILE 8 -3.430 -0.179 8.716
72 HD12 ILE 8 HD12 ILE 8 -2.347 -0.885 7.493
73 HD13 ILE 8 HD13 ILE 8 -1.736 0.355 8.614
74 H GLY 9 H GLY 9 -7.605 1.045 5.186
75 HA2 GLY 9 HA2 GLY 9 -7.332 3.929 4.599
76 HA3 GLY 9 HA3 GLY 9 -8.042 2.734 3.532
77 H TYR 10 H TYR 10 -9.150 1.553 6.333
78 HA TYR 10 HA TYR 10 -11.730 2.678 6.001
79 HB2 TYR 10 HB2 TYR 10 -12.243 0.917 7.511
80 HB3 TYR 10 HB3 TYR 10 -10.685 0.353 6.941
81 HD1 TYR 10 HD1 TYR 10 -12.154 2.512 9.635
82 HD2 TYR 10 HD2 TYR 10 -9.051 -0.207 8.503
83 HE1 TYR 10 HE1 TYR 10 -11.275 2.510 12.020
84 HE2 TYR 10 HE2 TYR 10 -8.182 -0.198 10.892
85 HH TYR 10 HH TYR 10 -8.269 0.877 12.832
86 H ALA 11 H ALA 11 -9.068 3.091 8.403
87 HA ALA 11 HA ALA 11 -10.464 4.593 10.256
88 HB1 ALA 11 HB1 ALA 11 -7.547 4.630 9.393
89 HB2 ALA 11 HB2 ALA 11 -8.168 5.453 10.844
90 HB3 ALA 11 HB3 ALA 11 -8.271 3.681 10.713
91 H ILE 12 H ILE 12 -8.674 5.605 7.277
92 HA ILE 12 HA ILE 12 -9.224 8.356 7.691
93 HB ILE 12 HB ILE 12 -7.427 7.004 6.246
94 HG12 ILE 12 HG12 ILE 12 -7.140 9.297 6.809
95 HG13 ILE 12 HG13 ILE 12 -6.971 9.168 5.070
96 HG21 ILE 12 HG21 ILE 12 -7.868 6.777 4.010
97 HG22 ILE 12 HG22 ILE 12 -9.470 6.404 4.691
98 HG23 ILE 12 HG23 ILE 12 -9.144 8.018 4.016
99 HD11 ILE 12 HD11 ILE 12 -9.513 10.025 6.530
100 HD12 ILE 12 HD12 ILE 12 -8.384 11.110 5.684
101 HD13 ILE 12 HD13 ILE 12 -9.324 9.912 4.764
102 H GLY 13 H GLY 13 -10.895 5.625 6.151
103 HA2 GLY 13 HA2 GLY 13 -12.712 7.157 4.604
104 HA3 GLY 13 HA3 GLY 13 -12.872 5.479 5.080
105 H TYR 14 H TYR 14 -12.533 6.205 8.030
106 HA TYR 14 HA TYR 14 -15.297 6.573 8.566
107 HB2 TYR 14 HB2 TYR 14 -13.999 5.234 10.095
108 HB3 TYR 14 HB3 TYR 14 -12.633 6.328 10.028
109 HD1 TYR 14 HD1 TYR 14 -16.243 6.467 11.080
110 HD2 TYR 14 HD2 TYR 14 -12.190 7.517 11.962
111 HE1 TYR 14 HE1 TYR 14 -16.987 7.539 13.262
112 HE2 TYR 14 HE2 TYR 14 -12.948 8.586 14.140
113 HH TYR 14 HH TYR 14 -15.705 7.969 15.585
114 H ALA 15 H ALA 15 -12.335 8.586 9.194
115 HA ALA 15 HA ALA 15 -13.869 10.753 10.195
116 HB1 ALA 15 HB1 ALA 15 -11.260 11.532 9.236
117 HB2 ALA 15 HB2 ALA 15 -11.826 11.345 10.913
118 HB3 ALA 15 HB3 ALA 15 -11.143 9.949 10.043
119 H PHE 16 H PHE 16 -12.124 10.099 7.078
120 HA PHE 16 HA PHE 16 -12.900 12.501 5.875
121 HB2 PHE 16 HB2 PHE 16 -11.084 10.715 5.267
122 HB3 PHE 16 HB3 PHE 16 -12.385 9.760 4.584
123 HD1 PHE 16 HD2 PHE 16 -13.468 12.911 3.918
124 HD2 PHE 16 HD1 PHE 16 -10.338 10.281 2.774
125 HE1 PHE 16 HE2 PHE 16 -13.229 14.142 1.743
126 HE2 PHE 16 HE1 PHE 16 -10.099 11.512 0.600
127 HZ PHE 16 HZ PHE 16 -11.548 13.427 0.110
128 H GLY 17 H GLY 17 -14.213 9.127 5.499
129 HA2 GLY 17 HA2 GLY 17 -16.300 9.788 3.768
130 HA3 GLY 17 HA3 GLY 17 -16.223 8.387 4.819
131 H ALA 18 H ALA 18 -15.870 10.384 7.211
132 HA ALA 18 HA ALA 18 -18.643 10.468 7.849
133 HB1 ALA 18 HB1 ALA 18 -17.524 11.852 9.839
134 HB2 ALA 18 HB2 ALA 18 -17.342 10.086 9.718
135 HB3 ALA 18 HB3 ALA 18 -16.033 11.154 9.161
136 H VAL 19 H VAL 19 -16.086 12.950 7.160
137 HA VAL 19 HA VAL 19 -17.864 15.124 7.376
138 HB VAL 19 HB VAL 19 -16.031 16.353 6.245
139 HG11 VAL 19 HG11 VAL 19 -14.234 15.606 8.027
140 HG12 VAL 19 HG12 VAL 19 -15.753 16.383 8.535
141 HG13 VAL 19 HG13 VAL 19 -15.576 14.616 8.650
142 HG21 VAL 19 HG21 VAL 19 -15.360 14.333 4.819
143 HG22 VAL 19 HG22 VAL 19 -14.042 15.314 5.506
144 HG23 VAL 19 HG23 VAL 19 -14.476 13.757 6.253
145 H GLU 20 H GLU 20 -16.855 12.959 4.703
146 HA GLU 20 HA GLU 20 -17.994 14.523 2.688
147 HB2 GLU 20 HB2 GLU 20 -17.396 11.533 2.773
148 HB3 GLU 20 HB3 GLU 20 -17.795 12.424 1.318
149 HG2 GLU 20 HG2 GLU 20 -15.590 13.602 2.954
150 HG3 GLU 20 HG3 GLU 20 -15.231 12.042 2.242
151 HE2 GLU 20 HE2 GLU 20 -14.869 12.912 -0.786
152 H ARG 21 H ARG 21 -19.266 12.118 4.970
153 HA ARG 21 HA ARG 21 -21.515 11.355 3.644
154 HB2 ARG 21 HB2 ARG 21 -20.497 11.288 6.365
155 HB3 ARG 21 HB3 ARG 21 -22.202 11.688 6.419
156 HG2 ARG 21 HG2 ARG 21 -22.813 9.689 5.201
157 HG3 ARG 21 HG3 ARG 21 -21.153 9.373 4.740
158 HD2 ARG 21 HD2 ARG 21 -21.475 9.570 7.670
159 HD3 ARG 21 HD3 ARG 21 -22.474 8.306 6.977
160 HE ARG 21 HE ARG 21 -19.995 7.960 5.748
161 HH11 ARG 21 HH22 ARG 21 -21.123 8.048 9.105
162 HH12 ARG 21 HH21 ARG 21 -19.882 6.985 9.680
163 HH21 ARG 21 HH11 ARG 21 -18.267 6.121 8.134
164 H ALA 22 H ALA 22 -20.778 14.360 5.440
165 HA ALA 22 HA ALA 22 -23.438 15.287 5.612
166 HB1 ALA 22 HB1 ALA 22 -21.951 17.543 5.732
167 HB2 ALA 22 HB2 ALA 22 -22.097 16.406 7.095
168 HB3 ALA 22 HB3 ALA 22 -20.675 16.337 6.027
169 H VAL 23 H VAL 23 -20.771 15.675 3.215
170 HA VAL 23 HA VAL 23 -21.993 17.599 1.637
171 HB VAL 23 HB VAL 23 -20.123 15.347 0.875
172 HG11 VAL 23 HG11 VAL 23 -20.266 16.081 -1.225
173 HG12 VAL 23 HG12 VAL 23 -21.426 17.338 -0.736
174 HG13 VAL 23 HG13 VAL 23 -19.678 17.674 -0.691
175 HG21 VAL 23 HG21 VAL 23 -19.720 18.023 2.161
176 HG22 VAL 23 HG22 VAL 23 -18.899 16.473 2.463
177 HG23 VAL 23 HG23 VAL 23 -18.490 17.430 1.019
178 H LEU 24 H LEU 24 -22.822 14.270 2.218
179 HA LEU 24 HA LEU 24 -24.378 14.156 -0.249
180 HB2 LEU 24 HB2 LEU 24 -24.047 11.964 1.784
181 HB3 LEU 24 HB3 LEU 24 -24.552 11.835 0.111
182 HG LEU 24 HG LEU 24 -21.790 12.280 1.221
183 HD11 LEU 24 HD11 LEU 24 -22.287 10.443 -1.039
184 HD12 LEU 24 HD12 LEU 24 -21.315 10.226 0.436
185 HD13 LEU 24 HD13 LEU 24 -23.080 10.008 0.493
186 HD21 LEU 24 HD21 LEU 24 -22.870 13.274 -1.354
187 HD22 LEU 24 HD22 LEU 24 -21.491 13.841 -0.382
188 HD23 LEU 24 HD23 LEU 24 -21.314 12.412 -1.429
189 H GLY 25 H GLY 25 -24.612 14.520 3.271
190 HA2 GLY 25 HA2 GLY 25 -26.472 15.628 4.205
191 HA3 GLY 25 HA3 GLY 25 -27.501 14.978 2.944
192 H GLY 26 H GLY 26 -25.119 13.549 5.303
193 HA2 GLY 26 HA2 GLY 26 -27.070 11.419 5.852
194 HA3 GLY 26 HA3 GLY 26 -25.347 11.380 6.174
195 H SER 27 H SER 27 -24.646 11.821 8.232
196 HA SER 27 HA SER 27 -25.935 13.731 9.831
197 HB2 SER 27 HB2 SER 27 -26.396 11.829 11.670
198 HB3 SER 27 HB3 SER 27 -27.623 12.321 10.520
199 HG SER 27 HG SER 27 -27.063 9.906 10.815
200 H ARG 28 H ARG 28 -25.018 13.298 12.312
201 HA ARG 28 HA ARG 28 -23.239 13.386 13.538
202 HB2 ARG 28 HB2 ARG 28 -22.209 11.029 11.880
203 HB3 ARG 28 HB3 ARG 28 -21.695 11.447 13.502
204 HG2 ARG 28 HG2 ARG 28 -24.599 11.221 13.432
205 HG3 ARG 28 HG3 ARG 28 -23.885 9.775 12.747
206 HD2 ARG 28 HD2 ARG 28 -22.306 9.801 14.841
207 HD3 ARG 28 HD3 ARG 28 -23.447 10.943 15.523
208 HE ARG 28 HE ARG 28 -24.969 9.195 15.838
209 HH11 ARG 28 HH22 ARG 28 -22.524 8.157 13.493
210 HH12 ARG 28 HH21 ARG 28 -23.096 6.524 13.434
211 HH21 ARG 28 HH11 ARG 28 -24.977 5.888 14.774
212 H ASP 29 H ASP 29 -22.863 15.457 12.129
213 HA ASP 29 HA ASP 29 -20.320 15.145 10.736
214 HB2 ASP 29 HB2 ASP 29 -20.930 17.090 9.383
215 HB3 ASP 29 HB3 ASP 29 -22.214 15.900 9.287
216 HD2 ASP 29 HD2 ASP 29 -24.126 16.943 9.334
217 H TYR 30 H TYR 30 -20.644 15.453 13.634
218 HA TYR 30 HA TYR 30 -19.529 18.155 13.958
219 HB2 TYR 30 HB2 TYR 30 -21.754 16.613 15.274
220 HB3 TYR 30 HB3 TYR 30 -20.661 17.378 16.409
221 HD1 TYR 30 HD1 TYR 30 -22.655 18.186 13.336
222 HD2 TYR 30 HD2 TYR 30 -21.061 19.582 17.053
223 HE1 TYR 30 HE1 TYR 30 -23.887 20.392 13.044
224 HE2 TYR 30 HE2 TYR 30 -22.298 21.782 16.749
225 HH TYR 30 HH TYR 30 -24.739 22.254 15.048
226 H ASN 31 H ASN 31 -17.357 17.434 13.887
227 HA ASN 31 HA ASN 31 -16.691 15.637 16.085
228 HB2 ASN 31 HB2 ASN 31 -16.225 14.671 13.803
229 HB3 ASN 31 HB3 ASN 31 -15.200 16.046 13.439
230 HD21 ASN 31 HD21 ASN 31 -15.645 13.248 15.519
231 HD22 ASN 31 HD22 ASN 31 -13.991 13.031 15.987
232 H LYS 32 H LYS 32 -17.028 18.540 16.270
233 HA LYS 32 HA LYS 32 -14.391 19.689 16.086
234 HB2 LYS 32 HB2 LYS 32 -17.103 20.741 16.905
235 HB3 LYS 32 HB3 LYS 32 -15.642 21.689 17.094
236 HG2 LYS 32 HG2 LYS 32 -15.344 21.961 14.806
237 HG3 LYS 32 HG3 LYS 32 -16.031 20.397 14.416
238 HD2 LYS 32 HD2 LYS 32 -17.882 21.563 13.769
239 HD3 LYS 32 HD3 LYS 32 -18.232 21.699 15.481
240 HE2 LYS 32 HE2 LYS 32 -17.755 23.935 15.520
241 HE3 LYS 32 HE3 LYS 32 -16.287 23.731 14.585
242 HZ1 LYS 32 HZ1 LYS 32 -17.650 24.877 13.118
243 HZ2 LYS 32 HZ2 LYS 32 -17.968 23.353 12.639
Start of MODEL 20
1 H1 ARG 1 H ARG 1 -2.431 -8.130 8.751
2 HA ARG 1 HA ARG 1 -1.217 -6.495 8.006
3 HB2 ARG 1 HB2 ARG 1 1.075 -8.519 7.918
4 HB3 ARG 1 HB3 ARG 1 1.229 -6.786 8.125
5 HG2 ARG 1 HG2 ARG 1 1.363 -7.473 10.349
6 HG3 ARG 1 HG3 ARG 1 -0.360 -7.179 10.224
7 HD2 ARG 1 HD2 ARG 1 -0.850 -9.377 10.576
8 HD3 ARG 1 HD3 ARG 1 0.277 -9.899 9.340
9 HE ARG 1 HE ARG 1 1.785 -9.051 11.617
10 HH11 ARG 1 HH22 ARG 1 -0.403 -11.668 10.660
11 HH12 ARG 1 HH21 ARG 1 0.288 -12.815 11.758
12 HH21 ARG 1 HH11 ARG 1 2.109 -12.144 13.165
13 H ARG 2 H ARG 2 -2.603 -7.012 5.896
14 HA ARG 2 HA ARG 2 -0.863 -7.860 3.752
15 HB2 ARG 2 HB2 ARG 2 -3.862 -7.433 4.022
16 HB3 ARG 2 HB3 ARG 2 -3.136 -7.541 2.431
17 HG2 ARG 2 HG2 ARG 2 -2.525 -9.788 2.697
18 HG3 ARG 2 HG3 ARG 2 -2.400 -9.662 4.441
19 HD2 ARG 2 HD2 ARG 2 -4.573 -10.285 4.735
20 HD3 ARG 2 HD3 ARG 2 -5.144 -9.113 3.564
21 HE ARG 2 HE ARG 2 -3.873 -11.268 2.161
22 HH11 ARG 2 HH22 ARG 2 -6.809 -10.599 4.029
23 HH12 ARG 2 HH21 ARG 2 -7.748 -11.811 3.222
24 HH21 ARG 2 HH11 ARG 2 -6.729 -13.132 1.501
25 H SER 3 H SER 3 -3.589 -5.581 3.342
26 HA SER 3 HA SER 3 -2.537 -3.184 3.566
27 HB2 SER 3 HB2 SER 3 -1.780 -2.829 1.009
28 HB3 SER 3 HB3 SER 3 -0.640 -3.267 2.265
29 HG SER 3 HG SER 3 -0.272 -5.109 1.255
30 H ARG 4 H ARG 4 -4.296 -5.512 1.584
31 HA ARG 4 HA ARG 4 -5.856 -3.482 0.324
32 HB2 ARG 4 HB2 ARG 4 -6.225 -6.521 0.382
33 HB3 ARG 4 HB3 ARG 4 -7.084 -5.422 -0.679
34 HG2 ARG 4 HG2 ARG 4 -4.062 -5.873 -0.640
35 HG3 ARG 4 HG3 ARG 4 -5.172 -6.468 -1.859
36 HD2 ARG 4 HD2 ARG 4 -5.792 -3.784 -1.901
37 HD3 ARG 4 HD3 ARG 4 -4.098 -3.707 -1.458
38 HE ARG 4 HE ARG 4 -4.726 -5.496 -3.724
39 HH11 ARG 4 HH22 ARG 4 -3.659 -2.274 -2.708
40 HH12 ARG 4 HH21 ARG 4 -2.942 -1.892 -4.237
41 HH21 ARG 4 HH11 ARG 4 -3.026 -3.506 -6.007
42 H LYS 5 H LYS 5 -5.831 -5.211 3.317
43 HA LYS 5 HA LYS 5 -8.713 -4.929 3.669
44 HB2 LYS 5 HB2 LYS 5 -7.673 -7.092 4.226
45 HB3 LYS 5 HB3 LYS 5 -6.625 -6.304 5.387
46 HG2 LYS 5 HG2 LYS 5 -8.346 -5.931 6.913
47 HG3 LYS 5 HG3 LYS 5 -9.570 -5.780 5.667
48 HD2 LYS 5 HD2 LYS 5 -9.183 -8.328 5.235
49 HD3 LYS 5 HD3 LYS 5 -8.330 -8.333 6.766
50 HE2 LYS 5 HE2 LYS 5 -10.747 -8.955 7.015
51 HE3 LYS 5 HE3 LYS 5 -10.321 -7.539 7.956
52 HZ1 LYS 5 HZ1 LYS 5 -12.108 -7.728 5.706
53 HZ2 LYS 5 HZ2 LYS 5 -12.052 -6.595 6.875
54 H ASN 6 H ASN 6 -6.472 -2.743 3.564
55 HA ASN 6 HA ASN 6 -7.653 -0.958 5.188
56 HB2 ASN 6 HB2 ASN 6 -6.139 -2.790 6.793
57 HB3 ASN 6 HB3 ASN 6 -5.206 -1.306 6.754
58 HD21 ASN 6 HD21 ASN 6 -8.698 -2.013 6.694
59 HD22 ASN 6 HD22 ASN 6 -9.142 -1.051 8.064
60 H GLY 7 H GLY 7 -7.033 0.391 3.403
61 HA2 GLY 7 HA2 GLY 7 -4.714 1.842 3.511
62 HA3 GLY 7 HA3 GLY 7 -4.334 0.497 2.454
63 H ILE 8 H ILE 8 -7.023 0.121 1.342
64 HA ILE 8 HA ILE 8 -7.200 2.604 -0.222
65 HB ILE 8 HB ILE 8 -6.360 0.289 -1.203
66 HG12 ILE 8 HG12 ILE 8 -7.786 1.157 -3.359
67 HG13 ILE 8 HG13 ILE 8 -7.851 2.580 -2.338
68 HG21 ILE 8 HG21 ILE 8 -8.592 -0.755 -0.427
69 HG22 ILE 8 HG22 ILE 8 -9.292 0.063 -1.845
70 HG23 ILE 8 HG23 ILE 8 -7.989 -1.132 -2.059
71 HD11 ILE 8 HD11 ILE 8 -5.558 1.412 -3.779
72 HD12 ILE 8 HD12 ILE 8 -5.782 3.063 -3.153
73 HD13 ILE 8 HD13 ILE 8 -5.191 1.776 -2.074
74 H GLY 9 H GLY 9 -8.896 -0.026 1.502
75 HA2 GLY 9 HA2 GLY 9 -11.524 0.749 0.790
76 HA3 GLY 9 HA3 GLY 9 -11.042 -0.259 2.141
77 H TYR 10 H TYR 10 -9.168 1.868 3.227
78 HA TYR 10 HA TYR 10 -11.074 3.154 4.885
79 HB2 TYR 10 HB2 TYR 10 -9.085 3.656 6.063
80 HB3 TYR 10 HB3 TYR 10 -8.448 2.391 5.030
81 HD1 TYR 10 HD1 TYR 10 -8.977 6.105 5.043
82 HD2 TYR 10 HD2 TYR 10 -6.549 2.827 3.754
83 HE1 TYR 10 HE1 TYR 10 -7.272 7.733 4.089
84 HE2 TYR 10 HE2 TYR 10 -4.852 4.466 2.806
85 HH TYR 10 HH TYR 10 -5.325 7.966 3.175
86 H ALA 11 H ALA 11 -9.167 4.098 2.002
87 HA ALA 11 HA ALA 11 -9.490 6.851 2.219
88 HB1 ALA 11 HB1 ALA 11 -9.520 5.485 -0.458
89 HB2 ALA 11 HB2 ALA 11 -8.579 6.893 0.091
90 HB3 ALA 11 HB3 ALA 11 -8.105 5.253 0.597
91 H ILE 12 H ILE 12 -11.481 4.386 0.437
92 HA ILE 12 HA ILE 12 -13.431 6.295 -0.306
93 HB ILE 12 HB ILE 12 -13.113 4.385 -1.660
94 HG12 ILE 12 HG12 ILE 12 -15.370 3.494 -1.838
95 HG13 ILE 12 HG13 ILE 12 -15.747 4.011 -0.206
96 HG21 ILE 12 HG21 ILE 12 -13.788 2.078 -0.683
97 HG22 ILE 12 HG22 ILE 12 -12.168 2.731 -0.341
98 HG23 ILE 12 HG23 ILE 12 -13.447 2.833 0.893
99 HD11 ILE 12 HD11 ILE 12 -15.539 6.357 -0.806
100 HD12 ILE 12 HD12 ILE 12 -14.878 5.938 -2.405
101 HD13 ILE 12 HD13 ILE 12 -16.577 5.577 -2.023
102 H GLY 13 H GLY 13 -12.975 4.063 2.455
103 HA2 GLY 13 HA2 GLY 13 -15.575 4.301 3.524
104 HA3 GLY 13 HA3 GLY 13 -14.126 3.800 4.370
105 H TYR 14 H TYR 14 -12.678 6.374 3.611
106 HA TYR 14 HA TYR 14 -13.474 7.853 5.901
107 HB2 TYR 14 HB2 TYR 14 -11.146 7.885 5.274
108 HB3 TYR 14 HB3 TYR 14 -11.520 8.007 3.566
109 HD1 TYR 14 HD2 TYR 14 -12.368 10.080 6.589
110 HD2 TYR 14 HD1 TYR 14 -10.723 9.970 2.641
111 HE1 TYR 14 HE2 TYR 14 -11.974 12.589 6.676
112 HE2 TYR 14 HE1 TYR 14 -10.333 12.481 2.742
113 HH TYR 14 HH TYR 14 -9.962 14.170 4.605
114 H ALA 15 H ALA 15 -13.761 8.324 2.326
115 HA ALA 15 HA ALA 15 -14.956 10.884 2.585
116 HB1 ALA 15 HB1 ALA 15 -15.641 9.633 0.106
117 HB2 ALA 15 HB2 ALA 15 -14.392 10.865 0.413
118 HB3 ALA 15 HB3 ALA 15 -13.983 9.136 0.522
119 H PHE 16 H PHE 16 -16.215 7.549 1.899
120 HA PHE 16 HA PHE 16 -18.900 8.368 1.807
121 HB2 PHE 16 HB2 PHE 16 -17.391 6.117 1.239
122 HB3 PHE 16 HB3 PHE 16 -18.087 5.619 2.768
123 HD1 PHE 16 HD2 PHE 16 -20.786 6.802 2.610
124 HD2 PHE 16 HD1 PHE 16 -18.483 4.836 -0.362
125 HE1 PHE 16 HE2 PHE 16 -22.893 6.119 1.430
126 HE2 PHE 16 HE1 PHE 16 -20.589 4.154 -1.543
127 HZ PHE 16 HZ PHE 16 -22.770 4.803 -0.633
128 H GLY 17 H GLY 17 -16.976 6.679 4.393
129 HA2 GLY 17 HA2 GLY 17 -18.998 6.573 6.304
130 HA3 GLY 17 HA3 GLY 17 -17.274 6.556 6.615
131 H ALA 18 H ALA 18 -17.019 9.275 5.155
132 HA ALA 18 HA ALA 18 -17.207 10.863 7.474
133 HB1 ALA 18 HB1 ALA 18 -16.479 11.222 4.588
134 HB2 ALA 18 HB2 ALA 18 -16.842 12.680 5.543
135 HB3 ALA 18 HB3 ALA 18 -15.538 11.581 6.055
136 H VAL 19 H VAL 19 -19.122 10.733 4.394
137 HA VAL 19 HA VAL 19 -20.952 12.708 5.300
138 HB VAL 19 HB VAL 19 -22.207 12.064 3.290
139 HG11 VAL 19 HG11 VAL 19 -19.223 12.311 2.779
140 HG12 VAL 19 HG12 VAL 19 -20.533 12.736 1.651
141 HG13 VAL 19 HG13 VAL 19 -20.321 13.661 3.157
142 HG21 VAL 19 HG21 VAL 19 -20.049 10.005 2.757
143 HG22 VAL 19 HG22 VAL 19 -21.628 9.599 3.471
144 HG23 VAL 19 HG23 VAL 19 -21.544 10.299 1.837
145 H GLU 20 H GLU 20 -20.714 9.150 5.437
146 HA GLU 20 HA GLU 20 -23.400 8.782 6.178
147 HB2 GLU 20 HB2 GLU 20 -20.947 7.003 6.534
148 HB3 GLU 20 HB3 GLU 20 -22.591 6.481 6.848
149 HG2 GLU 20 HG2 GLU 20 -21.908 7.714 4.164
150 HG3 GLU 20 HG3 GLU 20 -21.485 6.042 4.475
151 HE2 GLU 20 HE2 GLU 20 -25.245 6.987 3.723
152 H ARG 21 H ARG 21 -20.388 9.546 7.901
153 HA ARG 21 HA ARG 21 -21.049 8.727 10.406
154 HB2 ARG 21 HB2 ARG 21 -19.109 10.476 9.173
155 HB3 ARG 21 HB3 ARG 21 -19.732 11.301 10.589
156 HG2 ARG 21 HG2 ARG 21 -18.834 9.760 12.062
157 HG3 ARG 21 HG3 ARG 21 -19.102 8.406 10.982
158 HD2 ARG 21 HD2 ARG 21 -17.146 10.227 9.807
159 HD3 ARG 21 HD3 ARG 21 -16.654 9.799 11.433
160 HE ARG 21 HE ARG 21 -16.590 8.064 9.151
161 HH11 ARG 21 HH22 ARG 21 -17.395 7.987 12.600
162 HH12 ARG 21 HH21 ARG 21 -17.033 6.303 12.774
163 HH21 ARG 21 HH11 ARG 21 -16.280 5.061 10.868
164 H ALA 22 H ALA 22 -22.007 11.687 8.604
165 HA ALA 22 HA ALA 22 -23.222 12.947 10.841
166 HB1 ALA 22 HB1 ALA 22 -23.545 14.671 9.377
167 HB2 ALA 22 HB2 ALA 22 -22.365 13.764 8.399
168 HB3 ALA 22 HB3 ALA 22 -24.106 13.599 8.071
169 H VAL 23 H VAL 23 -24.183 10.535 8.423
170 HA VAL 23 HA VAL 23 -26.976 10.854 8.834
171 HB VAL 23 HB VAL 23 -25.298 8.631 7.658
172 HG11 VAL 23 HG11 VAL 23 -27.854 8.463 6.565
173 HG12 VAL 23 HG12 VAL 23 -27.140 7.365 7.770
174 HG13 VAL 23 HG13 VAL 23 -28.144 8.736 8.299
175 HG21 VAL 23 HG21 VAL 23 -26.611 9.715 5.567
176 HG22 VAL 23 HG22 VAL 23 -26.471 11.154 6.606
177 HG23 VAL 23 HG23 VAL 23 -25.009 10.270 6.109
178 H LEU 24 H LEU 24 -24.340 9.224 10.508
179 HA LEU 24 HA LEU 24 -26.340 7.913 12.217
180 HB2 LEU 24 HB2 LEU 24 -23.490 7.097 11.632
181 HB3 LEU 24 HB3 LEU 24 -24.550 6.315 12.787
182 HG LEU 24 HG LEU 24 -25.956 6.370 10.324
183 HD11 LEU 24 HD11 LEU 24 -23.037 6.035 9.981
184 HD12 LEU 24 HD12 LEU 24 -24.058 4.805 9.197
185 HD13 LEU 24 HD13 LEU 24 -24.290 6.528 8.817
186 HD21 LEU 24 HD21 LEU 24 -26.323 4.663 11.929
187 HD22 LEU 24 HD22 LEU 24 -25.630 3.872 10.493
188 HD23 LEU 24 HD23 LEU 24 -24.609 4.181 11.918
189 H GLY 25 H GLY 25 -24.950 10.739 12.080
190 HA2 GLY 25 HA2 GLY 25 -24.292 12.263 13.594
191 HA3 GLY 25 HA3 GLY 25 -24.899 11.193 14.842
192 H GLY 26 H GLY 26 -22.110 12.635 13.496
193 HA2 GLY 26 HA2 GLY 26 -20.404 11.035 15.254
194 HA3 GLY 26 HA3 GLY 26 -19.999 11.074 13.550
195 H SER 27 H SER 27 -19.300 13.062 12.547
196 HA SER 27 HA SER 27 -19.173 15.408 14.142
197 HB2 SER 27 HB2 SER 27 -17.049 15.302 14.907
198 HB3 SER 27 HB3 SER 27 -17.040 13.613 14.440
199 HG SER 27 HG SER 27 -15.472 14.176 13.099
200 H ARG 28 H ARG 28 -18.523 17.288 12.846
201 HA ARG 28 HA ARG 28 -17.635 16.924 10.214
202 HB2 ARG 28 HB2 ARG 28 -19.601 17.532 8.955
203 HB3 ARG 28 HB3 ARG 28 -20.109 16.255 10.043
204 HG2 ARG 28 HG2 ARG 28 -21.814 17.803 10.410
205 HG3 ARG 28 HG3 ARG 28 -20.700 18.268 11.680
206 HD2 ARG 28 HD2 ARG 28 -19.781 19.725 9.458
207 HD3 ARG 28 HD3 ARG 28 -21.523 19.768 9.272
208 HE ARG 28 HE ARG 28 -20.016 21.217 11.229
209 HH11 ARG 28 HH22 ARG 28 -23.022 19.361 10.961
210 HH12 ARG 28 HH21 ARG 28 -23.811 20.217 12.243
211 HH21 ARG 28 HH11 ARG 28 -22.637 21.970 13.380
212 H ASP 29 H ASP 29 -16.755 18.890 9.466
213 HA ASP 29 HA ASP 29 -17.641 21.290 10.823
214 HB2 ASP 29 HB2 ASP 29 -15.665 20.581 12.082
215 HB3 ASP 29 HB3 ASP 29 -14.763 20.300 10.606
216 HD2 ASP 29 HD2 ASP 29 -15.425 24.180 10.925
217 H TYR 30 H TYR 30 -18.484 20.755 8.303
218 HA TYR 30 HA TYR 30 -16.524 21.921 6.460
219 HB2 TYR 30 HB2 TYR 30 -18.953 20.095 6.391
220 HB3 TYR 30 HB3 TYR 30 -18.676 21.076 4.966
221 HD1 TYR 30 HD1 TYR 30 -16.745 18.814 7.262
222 HD2 TYR 30 HD2 TYR 30 -17.407 20.158 3.256
223 HE1 TYR 30 HE1 TYR 30 -15.067 17.107 6.405
224 HE2 TYR 30 HE2 TYR 30 -15.726 18.448 2.411
225 HH TYR 30 HH TYR 30 -14.915 15.985 3.596
226 H ASN 31 H ASN 31 -18.718 23.080 8.566
227 HA ASN 31 HA ASN 31 -19.690 25.031 6.628
228 HB2 ASN 31 HB2 ASN 31 -21.083 23.518 8.777
229 HB3 ASN 31 HB3 ASN 31 -21.386 25.242 8.849
230 HD21 ASN 31 HD21 ASN 31 -23.532 23.952 8.385
231 HD22 ASN 31 HD22 ASN 31 -24.040 23.946 6.729
232 H LYS 32 H LYS 32 -18.145 26.689 6.984
233 HA LYS 32 HA LYS 32 -17.180 27.234 9.619
234 HB2 LYS 32 HB2 LYS 32 -15.870 27.445 7.458
235 HB3 LYS 32 HB3 LYS 32 -16.809 28.882 7.106
236 HG2 LYS 32 HG2 LYS 32 -16.074 29.560 9.601
237 HG3 LYS 32 HG3 LYS 32 -14.771 28.432 9.285
238 HD2 LYS 32 HD2 LYS 32 -14.380 29.718 7.072
239 HD3 LYS 32 HD3 LYS 32 -15.470 30.938 7.699
240 HE2 LYS 32 HE2 LYS 32 -13.786 31.841 8.918
241 HE3 LYS 32 HE3 LYS 32 -13.594 30.335 9.793
242 HZ1 LYS 32 HZ1 LYS 32 -12.320 30.922 7.173
243 HZ2 LYS 32 HZ2 LYS 32 -11.554 30.964 8.609