Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
595615 | 2mt8 RC | 25152 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 H1 CYS 1 H CYS 1 -3.916 1.802 1.398
2 HA CYS 1 HA CYS 1 -3.485 3.276 3.845
3 HB2 CYS 1 HB2 CYS 1 -1.196 2.381 4.208
4 HB3 CYS 1 HB3 CYS 1 -2.443 1.171 4.480
5 H GLU 2 H GLU 2 -4.024 3.899 1.108
6 HA GLU 2 HA GLU 2 -1.474 4.708 0.049
7 HB2 GLU 2 HB2 GLU 2 -4.178 5.310 -1.137
8 HB3 GLU 2 HB3 GLU 2 -2.627 5.441 -1.921
9 HG2 GLU 2 HG2 GLU 2 -3.572 3.510 -2.845
10 HG3 GLU 2 HG3 GLU 2 -2.423 2.913 -1.653
11 H ALA 3 H ALA 3 -0.781 6.796 -0.031
12 HA ALA 3 HA ALA 3 -2.354 8.948 0.925
13 HB1 ALA 3 HB1 ALA 3 -1.607 7.973 3.035
14 HB2 ALA 3 HB2 ALA 3 -0.656 9.422 2.689
15 HB3 ALA 3 HB3 ALA 3 0.033 7.828 2.409
16 H ILE 4 H ILE 4 -1.187 10.795 0.491
17 HA ILE 4 HA ILE 4 0.816 10.359 -1.600
18 HB ILE 4 HB ILE 4 -0.795 12.893 -1.145
19 HG12 ILE 4 HG12 ILE 4 -1.259 10.717 -3.203
20 HG13 ILE 4 HG13 ILE 4 -2.246 10.965 -1.769
21 HG21 ILE 4 HG21 ILE 4 0.919 12.005 -3.464
22 HG22 ILE 4 HG22 ILE 4 1.280 13.300 -2.320
23 HG23 ILE 4 HG23 ILE 4 -0.080 13.456 -3.432
24 HD11 ILE 4 HD11 ILE 4 -2.893 13.175 -2.624
25 HD12 ILE 4 HD12 ILE 4 -3.324 11.883 -3.739
26 HD13 ILE 4 HD13 ILE 4 -1.913 12.892 -4.062
27 H TYR 5 H TYR 5 0.214 12.206 1.283
28 HA TYR 5 HA TYR 5 2.799 13.522 1.053
29 HB2 TYR 5 HB2 TYR 5 0.753 14.700 1.845
30 HB3 TYR 5 HB3 TYR 5 0.740 13.662 3.245
31 HD1 TYR 5 HD2 TYR 5 2.776 16.268 1.559
32 HD2 TYR 5 HD1 TYR 5 2.039 14.116 5.156
33 HE1 TYR 5 HE2 TYR 5 4.284 17.770 2.761
34 HE2 TYR 5 HE1 TYR 5 3.540 15.613 6.367
35 HH TYR 5 HH TYR 5 5.489 17.073 5.793
36 H ALA 6 H ALA 6 1.185 11.203 2.965
37 HA ALA 6 HA ALA 6 3.690 10.592 4.447
38 HB1 ALA 6 HB1 ALA 6 2.311 9.887 6.338
39 HB2 ALA 6 HB2 ALA 6 0.852 10.255 5.423
40 HB3 ALA 6 HB3 ALA 6 1.949 11.556 5.891
41 H ALA 7 H ALA 7 3.473 9.412 2.133
42 HA ALA 7 HA ALA 7 1.998 6.960 2.185
43 HB1 ALA 7 HB1 ALA 7 2.374 8.166 0.119
44 HB2 ALA 7 HB2 ALA 7 3.090 6.552 0.045
45 HB3 ALA 7 HB3 ALA 7 4.114 7.960 0.306
46 HA PRO 8 HA PRO 8 5.417 4.744 4.178
47 HB2 PRO 8 HB2 PRO 8 3.803 2.343 3.959
48 HB3 PRO 8 HB3 PRO 8 4.238 3.233 5.418
49 HG2 PRO 8 HG2 PRO 8 1.691 3.092 4.404
50 HG3 PRO 8 HG3 PRO 8 2.278 4.404 5.433
51 HD2 PRO 8 HD2 PRO 8 1.901 4.322 2.481
52 HD3 PRO 8 HD3 PRO 8 1.654 5.663 3.626
53 H LYS 9 H LYS 9 7.082 4.151 2.891
54 HA LYS 9 HA LYS 9 6.575 3.154 0.277
55 HB2 LYS 9 HB2 LYS 9 9.002 3.121 -0.030
56 HB3 LYS 9 HB3 LYS 9 8.437 4.660 0.588
57 HG2 LYS 9 HG2 LYS 9 9.215 4.012 2.832
58 HG3 LYS 9 HG3 LYS 9 9.811 2.492 2.158
59 HD2 LYS 9 HD2 LYS 9 11.253 3.741 0.631
60 HD3 LYS 9 HD3 LYS 9 10.676 5.254 1.327
61 HE2 LYS 9 HE2 LYS 9 11.582 4.605 3.493
62 HE3 LYS 9 HE3 LYS 9 12.147 3.083 2.811
63 HZ1 LYS 9 HZ1 LYS 9 13.568 4.356 1.302
64 HZ2 LYS 9 HZ2 LYS 9 13.928 4.677 2.917
65 HZ3 LYS 9 HZ3 LYS 9 13.050 5.794 2.021
66 H CYS 10 H CYS 10 7.602 1.178 -0.580
67 HA CYS 10 HA CYS 10 7.416 -0.934 1.450
68 HB2 CYS 10 HB2 CYS 10 6.496 -2.373 -0.312
69 HB3 CYS 10 HB3 CYS 10 5.471 -0.987 0.041
70 H ARG 11 H ARG 11 8.770 -2.649 1.284
71 HA ARG 11 HA ARG 11 10.861 -2.527 -0.790
72 HB2 ARG 11 HB2 ARG 11 10.808 -4.170 1.743
73 HB3 ARG 11 HB3 ARG 11 12.163 -3.965 0.659
74 HG2 ARG 11 HG2 ARG 11 12.444 -1.678 1.345
75 HG3 ARG 11 HG3 ARG 11 10.986 -1.765 2.341
76 HD2 ARG 11 HD2 ARG 11 13.546 -3.314 2.722
77 HD3 ARG 11 HD3 ARG 11 12.898 -2.051 3.774
78 HE ARG 11 HE ARG 11 10.966 -4.061 3.529
79 HH11 ARG 11 HH11 ARG 11 14.142 -3.683 5.075
80 HH12 ARG 11 HH12 ARG 11 13.835 -4.939 6.199
81 HH21 ARG 11 HH21 ARG 11 10.605 -5.660 4.986
82 HH22 ARG 11 HH22 ARG 11 11.784 -6.084 6.168
83 H ARG 12 H ARG 12 8.695 -4.528 1.152
84 HA ARG 12 HA ARG 12 7.981 -6.080 -1.182
85 HB2 ARG 12 HB2 ARG 12 8.074 -8.152 0.142
86 HB3 ARG 12 HB3 ARG 12 9.653 -7.544 -0.338
87 HG2 ARG 12 HG2 ARG 12 9.861 -6.646 1.992
88 HG3 ARG 12 HG3 ARG 12 8.336 -7.451 2.371
89 HD2 ARG 12 HD2 ARG 12 10.862 -8.783 1.402
90 HD3 ARG 12 HD3 ARG 12 10.219 -8.828 3.045
91 HE ARG 12 HE ARG 12 8.173 -9.786 1.756
92 HH11 ARG 12 HH11 ARG 12 11.599 -10.603 1.308
93 HH12 ARG 12 HH12 ARG 12 11.299 -12.157 0.717
94 HH21 ARG 12 HH21 ARG 12 7.761 -11.923 0.962
95 HH22 ARG 12 HH22 ARG 12 9.048 -12.953 0.534
96 H ASP 13 H ASP 13 6.154 -7.367 -0.876
97 HA ASP 13 HA ASP 13 4.073 -5.719 -0.187
98 HB2 ASP 13 HB2 ASP 13 4.240 -8.684 -0.564
99 HB3 ASP 13 HB3 ASP 13 2.752 -7.769 -0.452
100 H SER 14 H SER 14 5.683 -8.225 1.549
101 HA SER 14 HA SER 14 3.789 -8.463 3.614
102 HB2 SER 14 HB2 SER 14 5.620 -9.561 4.850
103 HB3 SER 14 HB3 SER 14 5.244 -10.292 3.280
104 HG SER 14 HG SER 14 7.504 -9.880 3.980
105 H ASP 15 H ASP 15 6.407 -6.227 3.120
106 HA ASP 15 HA ASP 15 6.114 -5.393 5.874
107 HB2 ASP 15 HB2 ASP 15 7.887 -3.609 5.440
108 HB3 ASP 15 HB3 ASP 15 8.412 -5.273 5.413
109 H CYS 16 H CYS 16 4.182 -4.978 3.547
110 HA CYS 16 HA CYS 16 3.685 -2.200 4.083
111 HB2 CYS 16 HB2 CYS 16 2.450 -4.220 2.242
112 HB3 CYS 16 HB3 CYS 16 1.779 -2.608 2.485
113 HA PRO 17 HA PRO 17 1.079 -2.965 7.554
114 HB2 PRO 17 HB2 PRO 17 -0.577 -0.785 7.328
115 HB3 PRO 17 HB3 PRO 17 1.065 -0.715 7.977
116 HG2 PRO 17 HG2 PRO 17 0.098 -0.088 5.212
117 HG3 PRO 17 HG3 PRO 17 1.236 0.818 6.228
118 HD2 PRO 17 HD2 PRO 17 2.112 -0.752 4.273
119 HD3 PRO 17 HD3 PRO 17 2.972 -0.674 5.827
120 H GLY 18 H GLY 18 -0.947 -3.691 8.144
121 HA2 GLY 18 HA2 GLY 18 -2.998 -4.672 7.924
122 HA3 GLY 18 HA3 GLY 18 -3.288 -3.566 6.586
123 H ALA 19 H ALA 19 -3.603 -4.472 4.719
124 HA ALA 19 HA ALA 19 -2.266 -7.012 4.126
125 HB1 ALA 19 HB1 ALA 19 -5.064 -6.207 3.302
126 HB2 ALA 19 HB2 ALA 19 -4.657 -7.399 4.536
127 HB3 ALA 19 HB3 ALA 19 -4.240 -7.698 2.849
128 H CYS 20 H CYS 20 -1.870 -3.988 3.582
129 HA CYS 20 HA CYS 20 -2.284 -3.441 0.880
130 HB2 CYS 20 HB2 CYS 20 -0.199 -2.469 2.810
131 HB3 CYS 20 HB3 CYS 20 -0.407 -1.819 1.192
132 H ILE 21 H ILE 21 -0.795 -3.402 -0.823
133 HA ILE 21 HA ILE 21 1.318 -5.408 -0.626
134 HB ILE 21 HB ILE 21 1.043 -5.782 -3.015
135 HG12 ILE 21 HG12 ILE 21 -1.267 -3.818 -2.913
136 HG13 ILE 21 HG13 ILE 21 0.312 -3.482 -3.611
137 HG21 ILE 21 HG21 ILE 21 -1.210 -6.799 -3.020
138 HG22 ILE 21 HG22 ILE 21 -1.579 -5.930 -1.529
139 HG23 ILE 21 HG23 ILE 21 -0.303 -7.148 -1.548
140 HD11 ILE 21 HD11 ILE 21 -1.636 -5.569 -4.578
141 HD12 ILE 21 HD12 ILE 21 -0.063 -5.214 -5.292
142 HD13 ILE 21 HD13 ILE 21 -1.340 -4.000 -5.326
143 H CYS 22 H CYS 22 2.990 -4.909 -2.382
144 HA CYS 22 HA CYS 22 3.841 -2.154 -1.989
145 HB2 CYS 22 HB2 CYS 22 5.463 -3.949 -1.542
146 HB3 CYS 22 HB3 CYS 22 5.265 -4.574 -3.164
147 H ARG 23 H ARG 23 2.862 -0.784 -3.428
148 HA ARG 23 HA ARG 23 1.975 -1.684 -5.950
149 HB2 ARG 23 HB2 ARG 23 2.198 1.079 -4.806
150 HB3 ARG 23 HB3 ARG 23 1.309 0.637 -6.243
151 HG2 ARG 23 HG2 ARG 23 0.743 -0.347 -3.477
152 HG3 ARG 23 HG3 ARG 23 -0.125 0.946 -4.279
153 HD2 ARG 23 HD2 ARG 23 -0.010 -1.981 -5.033
154 HD3 ARG 23 HD3 ARG 23 -1.411 -1.094 -4.448
155 HE ARG 23 HE ARG 23 -0.232 -0.275 -6.995
156 HH11 ARG 23 HH11 ARG 23 -2.966 -1.708 -5.277
157 HH12 ARG 23 HH12 ARG 23 -3.883 -1.974 -6.671
158 HH21 ARG 23 HH21 ARG 23 -1.538 -0.595 -8.927
159 HH22 ARG 23 HH22 ARG 23 -3.089 -1.291 -8.768
160 H GLY 24 H GLY 24 2.486 -0.387 -7.900
161 HA2 GLY 24 HA2 GLY 24 5.243 -0.721 -8.537
162 HA3 GLY 24 HA3 GLY 24 3.992 -0.102 -9.595
163 H ASN 25 H ASN 25 3.775 1.803 -7.012
164 HA ASN 25 HA ASN 25 5.434 3.851 -8.221
165 HB2 ASN 25 HB2 ASN 25 4.287 5.432 -6.774
166 HB3 ASN 25 HB3 ASN 25 3.095 4.390 -7.533
167 HD21 ASN 25 HD21 ASN 25 2.873 5.972 -5.147
168 HD22 ASN 25 HD22 ASN 25 2.471 4.912 -3.858
169 H GLY 26 H GLY 26 5.522 1.607 -5.652
170 HA2 GLY 26 HA2 GLY 26 7.641 1.064 -4.665
171 HA3 GLY 26 HA3 GLY 26 8.076 2.770 -4.753
172 H TYR 27 H TYR 27 4.868 2.237 -3.863
173 HA TYR 27 HA TYR 27 5.508 2.537 -1.065
174 HB2 TYR 27 HB2 TYR 27 3.717 4.035 -2.858
175 HB3 TYR 27 HB3 TYR 27 3.457 4.083 -1.101
176 HD1 TYR 27 HD2 TYR 27 5.336 5.061 0.295
177 HD2 TYR 27 HD1 TYR 27 5.301 5.412 -3.934
178 HE1 TYR 27 HE2 TYR 27 6.957 6.862 0.449
179 HE2 TYR 27 HE1 TYR 27 6.946 7.236 -3.797
180 HH TYR 27 HH TYR 27 8.629 7.957 -0.900
181 H CYS 28 H CYS 28 3.704 1.988 0.288
182 HA CYS 28 HA CYS 28 2.485 -0.450 -0.588
183 HB2 CYS 28 HB2 CYS 28 2.333 1.054 2.015
184 HB3 CYS 28 HB3 CYS 28 1.658 -0.548 1.732
185 H GLY 29 H GLY 29 0.381 -0.830 -0.989
186 HA2 GLY 29 HA2 GLY 29 -1.690 0.980 -0.232
187 HA3 GLY 29 HA3 GLY 29 -1.350 0.999 -1.966
188 H GLU 30 H GLU 30 -3.775 0.104 -0.868
189 HA GLU 30 HA GLU 30 -3.895 -2.668 -0.674
190 HB2 GLU 30 HB2 GLU 30 -5.652 -1.301 0.163
191 HB3 GLU 30 HB3 GLU 30 -5.981 -0.601 -1.423
192 HG2 GLU 30 HG2 GLU 30 -7.723 -2.134 -0.673
193 HG3 GLU 30 HG3 GLU 30 -6.917 -2.752 -2.108
194 H ALA 31 H ALA 31 -5.033 -4.053 -2.293
195 HA ALA 31 HA ALA 31 -3.651 -3.854 -4.811
196 HB1 ALA 31 HB1 ALA 31 -3.938 -6.030 -3.694
197 HB2 ALA 31 HB2 ALA 31 -4.607 -6.027 -5.324
198 HB3 ALA 31 HB3 ALA 31 -5.681 -5.912 -3.934
199 H ILE 32 H ILE 32 -7.027 -3.890 -3.797
200 HA ILE 32 HA ILE 32 -7.641 -2.535 -6.320
201 HB ILE 32 HB ILE 32 -9.609 -3.915 -4.554
202 HG12 ILE 32 HG12 ILE 32 -8.085 -5.651 -5.401
203 HG13 ILE 32 HG13 ILE 32 -9.670 -5.827 -6.143
204 HG21 ILE 32 HG21 ILE 32 -9.846 -2.974 -7.409
205 HG22 ILE 32 HG22 ILE 32 -10.598 -2.251 -5.988
206 HG23 ILE 32 HG23 ILE 32 -11.105 -3.849 -6.535
207 HD11 ILE 32 HD11 ILE 32 -8.817 -4.718 -8.154
208 HD12 ILE 32 HD12 ILE 32 -7.919 -6.185 -7.765
209 HD13 ILE 32 HD13 ILE 32 -7.224 -4.602 -7.405
210 H TYR 33 H TYR 33 -8.228 -0.546 -6.030
211 HA TYR 33 HA TYR 33 -8.236 0.643 -3.428
212 HB2 TYR 33 HB2 TYR 33 -8.918 1.929 -6.070
213 HB3 TYR 33 HB3 TYR 33 -8.506 2.742 -4.569
214 HD1 TYR 33 HD1 TYR 33 -6.133 1.829 -3.557
215 HD2 TYR 33 HD2 TYR 33 -7.273 1.875 -7.656
216 HE1 TYR 33 HE1 TYR 33 -3.777 1.822 -4.210
217 HE2 TYR 33 HE2 TYR 33 -4.931 1.867 -8.317
218 HH TYR 33 HH TYR 33 -2.779 2.469 -7.406
219 H ALA 34 H ALA 34 -10.624 -0.264 -5.754
220 HA ALA 34 HA ALA 34 -12.818 1.103 -4.606
221 HB1 ALA 34 HB1 ALA 34 -14.208 -0.347 -5.995
222 HB2 ALA 34 HB2 ALA 34 -12.818 -1.381 -6.318
223 HB3 ALA 34 HB3 ALA 34 -12.841 0.277 -6.919
224 H ALA 35 H ALA 35 -11.207 -1.849 -3.908
225 HA ALA 35 HA ALA 35 -13.314 -2.958 -2.306
226 HB1 ALA 35 HB1 ALA 35 -10.452 -3.836 -2.624
227 HB2 ALA 35 HB2 ALA 35 -11.811 -4.410 -3.592
228 HB3 ALA 35 HB3 ALA 35 -11.748 -4.753 -1.861
229 HA PRO 36 HA PRO 36 -11.570 -0.773 1.225
230 HB2 PRO 36 HB2 PRO 36 -13.931 -1.383 2.686
231 HB3 PRO 36 HB3 PRO 36 -13.388 0.194 2.103
232 HG2 PRO 36 HG2 PRO 36 -15.628 -1.128 1.130
233 HG3 PRO 36 HG3 PRO 36 -14.717 0.094 0.227
234 HD2 PRO 36 HD2 PRO 36 -14.614 -2.883 0.022
235 HD3 PRO 36 HD3 PRO 36 -14.479 -1.649 -1.252
236 H PHE 37 H PHE 37 -10.139 -2.293 1.699
237 HA PHE 37 HA PHE 37 -11.003 -4.180 3.737
238 HB2 PHE 37 HB2 PHE 37 -10.616 -5.443 1.586
239 HB3 PHE 37 HB3 PHE 37 -8.932 -4.936 1.659
240 HD1 PHE 37 HD1 PHE 37 -11.536 -6.882 3.402
241 HD2 PHE 37 HD2 PHE 37 -7.380 -6.096 3.026
242 HE1 PHE 37 HE1 PHE 37 -11.053 -8.813 4.833
243 HE2 PHE 37 HE2 PHE 37 -6.883 -8.034 4.458
244 HZ PHE 37 HZ PHE 37 -8.724 -9.395 5.367
245 H ALA 38 H ALA 38 -7.824 -3.467 2.314
246 HA ALA 38 HA ALA 38 -7.240 -2.006 4.746
247 HB1 ALA 38 HB1 ALA 38 -5.456 -4.189 3.706
248 HB2 ALA 38 HB2 ALA 38 -6.515 -4.327 5.107
249 HB3 ALA 38 HB3 ALA 38 -5.172 -3.182 5.129
250 H ARG 39 H ARG 39 -7.284 -0.177 3.540
251 HA ARG 39 HA ARG 39 -5.354 0.104 1.372
252 HB2 ARG 39 HB2 ARG 39 -7.571 1.921 2.334
253 HB3 ARG 39 HB3 ARG 39 -6.485 2.256 0.993
254 HG2 ARG 39 HG2 ARG 39 -7.364 0.330 -0.214
255 HG3 ARG 39 HG3 ARG 39 -8.439 -0.028 1.136
256 HD2 ARG 39 HD2 ARG 39 -9.666 1.122 -0.589
257 HD3 ARG 39 HD3 ARG 39 -9.503 2.161 0.822
258 HE ARG 39 HE ARG 39 -7.426 2.674 -1.049
259 HH11 ARG 39 HH11 ARG 39 -10.882 3.259 -0.480
260 HH12 ARG 39 HH12 ARG 39 -10.967 4.645 -1.465
261 HH21 ARG 39 HH21 ARG 39 -7.566 4.631 -2.380
262 HH22 ARG 39 HH22 ARG 39 -9.037 5.463 -2.548
Start of MODEL 2
1 H1 CYS 1 H CYS 1 -3.470 2.286 2.804
2 HA CYS 1 HA CYS 1 -1.736 2.895 5.103
3 HB2 CYS 1 HB2 CYS 1 -1.066 1.331 2.579
4 HB3 CYS 1 HB3 CYS 1 0.079 1.727 3.856
5 H GLU 2 H GLU 2 -3.284 4.567 3.462
6 HA GLU 2 HA GLU 2 -1.478 5.867 1.606
7 HB2 GLU 2 HB2 GLU 2 -4.335 6.442 2.325
8 HB3 GLU 2 HB3 GLU 2 -3.433 7.177 1.015
9 HG2 GLU 2 HG2 GLU 2 -3.264 5.110 -0.170
10 HG3 GLU 2 HG3 GLU 2 -3.956 4.220 1.185
11 H ALA 3 H ALA 3 -0.753 7.898 1.931
12 HA ALA 3 HA ALA 3 -1.362 9.433 4.240
13 HB1 ALA 3 HB1 ALA 3 1.268 7.972 4.007
14 HB2 ALA 3 HB2 ALA 3 0.070 7.777 5.284
15 HB3 ALA 3 HB3 ALA 3 0.970 9.285 5.136
16 H ILE 4 H ILE 4 -0.954 11.459 3.708
17 HA ILE 4 HA ILE 4 0.187 11.871 1.078
18 HB ILE 4 HB ILE 4 -1.408 13.826 2.774
19 HG12 ILE 4 HG12 ILE 4 -2.244 12.137 0.400
20 HG13 ILE 4 HG13 ILE 4 -2.685 11.830 2.073
21 HG21 ILE 4 HG21 ILE 4 -0.615 13.995 -0.145
22 HG22 ILE 4 HG22 ILE 4 0.054 14.978 1.154
23 HG23 ILE 4 HG23 ILE 4 -1.646 15.142 0.711
24 HD11 ILE 4 HD11 ILE 4 -3.946 13.918 2.120
25 HD12 ILE 4 HD12 ILE 4 -4.504 12.865 0.820
26 HD13 ILE 4 HD13 ILE 4 -3.464 14.245 0.458
27 H TYR 5 H TYR 5 1.009 12.626 4.363
28 HA TYR 5 HA TYR 5 3.040 14.511 3.445
29 HB2 TYR 5 HB2 TYR 5 1.814 14.858 5.621
30 HB3 TYR 5 HB3 TYR 5 2.626 13.435 6.233
31 HD1 TYR 5 HD1 TYR 5 3.283 16.847 4.923
32 HD2 TYR 5 HD2 TYR 5 4.830 13.541 7.109
33 HE1 TYR 5 HE1 TYR 5 5.209 18.193 5.578
34 HE2 TYR 5 HE2 TYR 5 6.764 14.886 7.774
35 HH TYR 5 HH TYR 5 6.861 18.181 7.510
36 H ALA 6 H ALA 6 2.777 11.397 4.870
37 HA ALA 6 HA ALA 6 5.459 10.820 3.859
38 HB1 ALA 6 HB1 ALA 6 4.609 10.132 6.675
39 HB2 ALA 6 HB2 ALA 6 5.768 11.383 6.225
40 HB3 ALA 6 HB3 ALA 6 6.136 9.686 5.915
41 H ALA 7 H ALA 7 4.467 9.701 2.238
42 HA ALA 7 HA ALA 7 2.676 7.569 2.720
43 HB1 ALA 7 HB1 ALA 7 4.406 8.163 0.317
44 HB2 ALA 7 HB2 ALA 7 2.754 8.732 0.569
45 HB3 ALA 7 HB3 ALA 7 3.076 7.009 0.364
46 HA PRO 8 HA PRO 8 5.772 4.755 4.206
47 HB2 PRO 8 HB2 PRO 8 4.205 2.518 4.147
48 HB3 PRO 8 HB3 PRO 8 4.175 3.705 5.455
49 HG2 PRO 8 HG2 PRO 8 2.331 3.379 3.136
50 HG3 PRO 8 HG3 PRO 8 1.952 3.792 4.814
51 HD2 PRO 8 HD2 PRO 8 2.032 5.627 2.849
52 HD3 PRO 8 HD3 PRO 8 2.495 6.008 4.520
53 H LYS 9 H LYS 9 7.266 4.378 2.799
54 HA LYS 9 HA LYS 9 6.728 3.210 0.228
55 HB2 LYS 9 HB2 LYS 9 9.230 3.371 -0.049
56 HB3 LYS 9 HB3 LYS 9 8.387 4.892 0.208
57 HG2 LYS 9 HG2 LYS 9 9.077 4.854 2.554
58 HG3 LYS 9 HG3 LYS 9 9.950 3.352 2.272
59 HD2 LYS 9 HD2 LYS 9 11.349 4.499 0.606
60 HD3 LYS 9 HD3 LYS 9 10.467 5.997 0.908
61 HE2 LYS 9 HE2 LYS 9 12.579 5.970 2.105
62 HE3 LYS 9 HE3 LYS 9 11.224 5.971 3.235
63 HZ1 LYS 9 HZ1 LYS 9 12.816 3.610 2.421
64 HZ2 LYS 9 HZ2 LYS 9 11.525 3.565 3.483
65 HZ3 LYS 9 HZ3 LYS 9 12.929 4.399 3.907
66 H CYS 10 H CYS 10 7.719 1.268 -0.557
67 HA CYS 10 HA CYS 10 8.279 -0.694 1.540
68 HB2 CYS 10 HB2 CYS 10 6.820 -2.284 0.311
69 HB3 CYS 10 HB3 CYS 10 5.950 -0.943 1.055
70 H ARG 11 H ARG 11 9.509 -2.428 0.882
71 HA ARG 11 HA ARG 11 10.935 -2.173 -1.688
72 HB2 ARG 11 HB2 ARG 11 11.516 -3.894 0.720
73 HB3 ARG 11 HB3 ARG 11 12.591 -3.561 -0.627
74 HG2 ARG 11 HG2 ARG 11 13.032 -1.393 0.119
75 HG3 ARG 11 HG3 ARG 11 11.622 -1.387 1.187
76 HD2 ARG 11 HD2 ARG 11 14.069 -3.111 1.491
77 HD3 ARG 11 HD3 ARG 11 13.667 -1.694 2.470
78 HE ARG 11 HE ARG 11 11.476 -3.222 2.772
79 HH11 ARG 11 HH11 ARG 11 14.898 -4.062 3.065
80 HH12 ARG 11 HH12 ARG 11 14.646 -5.208 4.295
81 HH21 ARG 11 HH21 ARG 11 11.137 -4.760 4.430
82 HH22 ARG 11 HH22 ARG 11 12.445 -5.655 5.092
83 H ARG 12 H ARG 12 9.120 -4.148 0.521
84 HA ARG 12 HA ARG 12 8.325 -6.036 -1.561
85 HB2 ARG 12 HB2 ARG 12 8.480 -7.797 0.223
86 HB3 ARG 12 HB3 ARG 12 10.002 -7.263 -0.464
87 HG2 ARG 12 HG2 ARG 12 10.261 -5.774 1.538
88 HG3 ARG 12 HG3 ARG 12 8.818 -6.531 2.207
89 HD2 ARG 12 HD2 ARG 12 10.858 -7.530 3.095
90 HD3 ARG 12 HD3 ARG 12 9.922 -8.699 2.164
91 HE ARG 12 HE ARG 12 11.564 -7.969 0.300
92 HH11 ARG 12 HH11 ARG 12 12.447 -8.323 3.747
93 HH12 ARG 12 HH12 ARG 12 14.011 -8.870 3.386
94 HH21 ARG 12 HH21 ARG 12 13.696 -8.682 -0.128
95 HH22 ARG 12 HH22 ARG 12 14.746 -9.095 1.153
96 H ASP 13 H ASP 13 6.465 -7.245 -0.940
97 HA ASP 13 HA ASP 13 4.379 -5.507 -0.270
98 HB2 ASP 13 HB2 ASP 13 4.582 -8.454 -0.697
99 HB3 ASP 13 HB3 ASP 13 3.089 -7.669 -0.249
100 H SER 14 H SER 14 6.186 -7.804 1.483
101 HA SER 14 HA SER 14 4.475 -7.966 3.724
102 HB2 SER 14 HB2 SER 14 6.602 -8.790 4.837
103 HB3 SER 14 HB3 SER 14 5.918 -9.717 3.477
104 HG SER 14 HG SER 14 7.733 -9.481 2.576
105 H ASP 15 H ASP 15 6.583 -5.562 2.710
106 HA ASP 15 HA ASP 15 7.059 -4.307 5.280
107 HB2 ASP 15 HB2 ASP 15 7.156 -3.055 2.512
108 HB3 ASP 15 HB3 ASP 15 7.564 -2.200 3.985
109 H CYS 16 H CYS 16 4.397 -4.599 3.236
110 HA CYS 16 HA CYS 16 3.114 -2.237 4.282
111 HB2 CYS 16 HB2 CYS 16 2.274 -4.209 2.164
112 HB3 CYS 16 HB3 CYS 16 1.503 -2.669 2.539
113 HA PRO 17 HA PRO 17 1.062 -5.176 7.003
114 HB2 PRO 17 HB2 PRO 17 0.103 -3.433 8.734
115 HB3 PRO 17 HB3 PRO 17 1.849 -3.692 8.602
116 HG2 PRO 17 HG2 PRO 17 0.175 -1.459 7.544
117 HG3 PRO 17 HG3 PRO 17 1.789 -1.408 8.273
118 HD2 PRO 17 HD2 PRO 17 1.236 -1.414 5.529
119 HD3 PRO 17 HD3 PRO 17 2.803 -1.785 6.280
120 H GLY 18 H GLY 18 -1.191 -5.049 8.146
121 HA2 GLY 18 HA2 GLY 18 -3.464 -5.023 8.044
122 HA3 GLY 18 HA3 GLY 18 -3.328 -3.643 6.961
123 H ALA 19 H ALA 19 -3.657 -3.910 4.890
124 HA ALA 19 HA ALA 19 -3.838 -6.608 3.794
125 HB1 ALA 19 HB1 ALA 19 -5.977 -6.084 2.766
126 HB2 ALA 19 HB2 ALA 19 -5.964 -4.489 3.515
127 HB3 ALA 19 HB3 ALA 19 -6.089 -5.933 4.519
128 H CYS 20 H CYS 20 -2.184 -3.970 3.666
129 HA CYS 20 HA CYS 20 -2.656 -3.094 0.964
130 HB2 CYS 20 HB2 CYS 20 -0.548 -2.327 2.973
131 HB3 CYS 20 HB3 CYS 20 -0.920 -1.489 1.471
132 H ILE 21 H ILE 21 -1.090 -3.200 -0.646
133 HA ILE 21 HA ILE 21 0.953 -5.256 -0.286
134 HB ILE 21 HB ILE 21 0.721 -5.748 -2.696
135 HG12 ILE 21 HG12 ILE 21 -1.679 -3.888 -2.607
136 HG13 ILE 21 HG13 ILE 21 -0.157 -3.546 -3.421
137 HG21 ILE 21 HG21 ILE 21 -1.847 -5.990 -1.149
138 HG22 ILE 21 HG22 ILE 21 -0.492 -7.114 -1.108
139 HG23 ILE 21 HG23 ILE 21 -1.440 -6.928 -2.587
140 HD11 ILE 21 HD11 ILE 21 -0.548 -5.443 -4.913
141 HD12 ILE 21 HD12 ILE 21 -1.843 -4.248 -5.009
142 HD13 ILE 21 HD13 ILE 21 -2.086 -5.748 -4.111
143 H CYS 22 H CYS 22 2.671 -4.882 -2.097
144 HA CYS 22 HA CYS 22 3.430 -2.078 -1.793
145 HB2 CYS 22 HB2 CYS 22 5.045 -3.816 -1.080
146 HB3 CYS 22 HB3 CYS 22 5.088 -4.444 -2.726
147 H ARG 23 H ARG 23 2.730 -0.820 -3.385
148 HA ARG 23 HA ARG 23 1.944 -1.859 -5.911
149 HB2 ARG 23 HB2 ARG 23 2.260 0.975 -4.955
150 HB3 ARG 23 HB3 ARG 23 1.416 0.465 -6.396
151 HG2 ARG 23 HG2 ARG 23 0.613 -0.387 -3.629
152 HG3 ARG 23 HG3 ARG 23 -0.059 1.016 -4.442
153 HD2 ARG 23 HD2 ARG 23 -0.232 -1.870 -5.341
154 HD3 ARG 23 HD3 ARG 23 -1.546 -0.897 -4.685
155 HE ARG 23 HE ARG 23 -0.210 -0.126 -7.183
156 HH11 ARG 23 HH11 ARG 23 -3.231 -0.927 -5.489
157 HH12 ARG 23 HH12 ARG 23 -4.191 -0.686 -6.884
158 HH21 ARG 23 HH21 ARG 23 -1.557 0.232 -9.020
159 HH22 ARG 23 HH22 ARG 23 -3.248 0.007 -8.894
160 H GLY 24 H GLY 24 2.709 -0.721 -7.926
161 HA2 GLY 24 HA2 GLY 24 5.438 -1.391 -8.348
162 HA3 GLY 24 HA3 GLY 24 4.376 -0.634 -9.512
163 H ASN 25 H ASN 25 4.177 1.430 -7.114
164 HA ASN 25 HA ASN 25 6.217 3.183 -8.221
165 HB2 ASN 25 HB2 ASN 25 5.101 4.953 -6.976
166 HB3 ASN 25 HB3 ASN 25 3.925 4.046 -7.912
167 HD21 ASN 25 HD21 ASN 25 3.328 5.696 -5.738
168 HD22 ASN 25 HD22 ASN 25 2.661 4.727 -4.474
169 H GLY 26 H GLY 26 5.656 1.204 -5.483
170 HA2 GLY 26 HA2 GLY 26 7.493 0.502 -4.152
171 HA3 GLY 26 HA3 GLY 26 8.234 2.078 -4.411
172 H TYR 27 H TYR 27 4.855 1.969 -3.759
173 HA TYR 27 HA TYR 27 5.333 2.665 -0.983
174 HB2 TYR 27 HB2 TYR 27 3.665 3.891 -3.082
175 HB3 TYR 27 HB3 TYR 27 3.284 4.180 -1.371
176 HD1 TYR 27 HD2 TYR 27 5.210 5.234 0.024
177 HD2 TYR 27 HD1 TYR 27 5.200 5.199 -4.222
178 HE1 TYR 27 HE2 TYR 27 6.851 7.043 0.015
179 HE2 TYR 27 HE1 TYR 27 6.839 7.000 -4.255
180 HH TYR 27 HH TYR 27 8.545 7.991 -1.460
181 H CYS 28 H CYS 28 3.682 2.129 0.432
182 HA CYS 28 HA CYS 28 2.315 -0.293 -0.249
183 HB2 CYS 28 HB2 CYS 28 2.433 1.321 2.286
184 HB3 CYS 28 HB3 CYS 28 1.539 -0.186 2.127
185 H GLY 29 H GLY 29 0.309 -0.524 -0.861
186 HA2 GLY 29 HA2 GLY 29 -1.735 1.326 -0.056
187 HA3 GLY 29 HA3 GLY 29 -1.348 1.326 -1.781
188 H GLU 30 H GLU 30 -3.847 0.550 -1.017
189 HA GLU 30 HA GLU 30 -3.890 -2.249 -0.792
190 HB2 GLU 30 HB2 GLU 30 -5.599 -0.935 0.261
191 HB3 GLU 30 HB3 GLU 30 -6.049 -0.163 -1.251
192 HG2 GLU 30 HG2 GLU 30 -7.704 -1.772 -0.425
193 HG3 GLU 30 HG3 GLU 30 -7.083 -2.252 -1.988
194 H ALA 31 H ALA 31 -5.179 -3.462 -2.485
195 HA ALA 31 HA ALA 31 -3.988 -3.117 -5.089
196 HB1 ALA 31 HB1 ALA 31 -4.533 -5.355 -4.197
197 HB2 ALA 31 HB2 ALA 31 -5.299 -5.051 -5.760
198 HB3 ALA 31 HB3 ALA 31 -6.250 -4.944 -4.285
199 H ILE 32 H ILE 32 -6.663 -1.999 -3.528
200 HA ILE 32 HA ILE 32 -8.079 -1.144 -5.911
201 HB ILE 32 HB ILE 32 -8.774 -0.744 -2.967
202 HG12 ILE 32 HG12 ILE 32 -9.866 -2.797 -4.910
203 HG13 ILE 32 HG13 ILE 32 -8.748 -3.134 -3.598
204 HG21 ILE 32 HG21 ILE 32 -9.838 0.905 -4.440
205 HG22 ILE 32 HG22 ILE 32 -11.024 -0.195 -3.739
206 HG23 ILE 32 HG23 ILE 32 -10.517 -0.404 -5.412
207 HD11 ILE 32 HD11 ILE 32 -11.024 -3.778 -3.029
208 HD12 ILE 32 HD12 ILE 32 -11.568 -2.121 -3.295
209 HD13 ILE 32 HD13 ILE 32 -10.454 -2.482 -1.978
210 H TYR 33 H TYR 33 -8.343 1.200 -6.190
211 HA TYR 33 HA TYR 33 -5.996 2.627 -5.726
212 HB2 TYR 33 HB2 TYR 33 -8.717 3.572 -6.615
213 HB3 TYR 33 HB3 TYR 33 -7.268 4.572 -6.639
214 HD1 TYR 33 HD1 TYR 33 -5.407 4.009 -8.177
215 HD2 TYR 33 HD2 TYR 33 -9.088 1.882 -8.292
216 HE1 TYR 33 HE1 TYR 33 -4.812 3.106 -10.368
217 HE2 TYR 33 HE2 TYR 33 -8.507 0.973 -10.475
218 HH TYR 33 HH TYR 33 -7.053 1.535 -12.358
219 H ALA 34 H ALA 34 -9.191 3.314 -4.368
220 HA ALA 34 HA ALA 34 -7.838 4.561 -2.096
221 HB1 ALA 34 HB1 ALA 34 -10.088 5.326 -1.431
222 HB2 ALA 34 HB2 ALA 34 -10.790 4.440 -2.782
223 HB3 ALA 34 HB3 ALA 34 -9.729 5.816 -3.088
224 H ALA 35 H ALA 35 -7.553 3.396 -0.292
225 HA ALA 35 HA ALA 35 -8.381 0.674 -0.330
226 HB1 ALA 35 HB1 ALA 35 -6.918 2.334 1.701
227 HB2 ALA 35 HB2 ALA 35 -6.249 1.134 0.602
228 HB3 ALA 35 HB3 ALA 35 -7.278 0.628 1.942
229 HA PRO 36 HA PRO 36 -12.407 1.176 1.425
230 HB2 PRO 36 HB2 PRO 36 -11.902 -1.484 2.639
231 HB3 PRO 36 HB3 PRO 36 -13.238 -0.946 1.621
232 HG2 PRO 36 HG2 PRO 36 -11.338 -2.499 0.620
233 HG3 PRO 36 HG3 PRO 36 -12.035 -1.179 -0.336
234 HD2 PRO 36 HD2 PRO 36 -9.404 -1.326 1.063
235 HD3 PRO 36 HD3 PRO 36 -9.836 -0.595 -0.501
236 H PHE 37 H PHE 37 -9.991 -0.196 3.653
237 HA PHE 37 HA PHE 37 -10.892 1.669 5.668
238 HB2 PHE 37 HB2 PHE 37 -12.353 -0.322 5.932
239 HB3 PHE 37 HB3 PHE 37 -10.917 -1.293 6.210
240 HD1 PHE 37 HD1 PHE 37 -12.920 1.482 7.590
241 HD2 PHE 37 HD2 PHE 37 -9.841 -1.365 8.321
242 HE1 PHE 37 HE1 PHE 37 -12.963 2.044 9.981
243 HE2 PHE 37 HE2 PHE 37 -9.884 -0.803 10.707
244 HZ PHE 37 HZ PHE 37 -11.446 0.904 11.539
245 H ALA 38 H ALA 38 -8.911 -1.187 5.065
246 HA ALA 38 HA ALA 38 -6.864 -0.208 6.818
247 HB1 ALA 38 HB1 ALA 38 -7.259 -2.639 6.591
248 HB2 ALA 38 HB2 ALA 38 -5.598 -2.193 6.199
249 HB3 ALA 38 HB3 ALA 38 -6.736 -2.554 4.908
250 H ARG 39 H ARG 39 -6.892 1.762 5.647
251 HA ARG 39 HA ARG 39 -5.532 1.914 3.128
252 HB2 ARG 39 HB2 ARG 39 -5.964 4.189 5.048
253 HB3 ARG 39 HB3 ARG 39 -5.704 4.268 3.323
254 HG2 ARG 39 HG2 ARG 39 -7.960 3.162 3.007
255 HG3 ARG 39 HG3 ARG 39 -8.170 3.305 4.744
256 HD2 ARG 39 HD2 ARG 39 -9.276 5.127 3.636
257 HD3 ARG 39 HD3 ARG 39 -7.911 5.733 4.571
258 HE ARG 39 HE ARG 39 -7.236 5.224 1.823
259 HH11 ARG 39 HH11 ARG 39 -8.667 7.624 4.015
260 HH12 ARG 39 HH12 ARG 39 -8.397 8.941 2.961
261 HH21 ARG 39 HH21 ARG 39 -6.860 7.049 0.382
262 HH22 ARG 39 HH22 ARG 39 -7.364 8.604 0.838
Start of MODEL 3
1 H1 CYS 1 H CYS 1 -4.521 1.985 3.222
2 HA CYS 1 HA CYS 1 -3.023 2.098 5.648
3 HB2 CYS 1 HB2 CYS 1 -1.825 1.553 2.901
4 HB3 CYS 1 HB3 CYS 1 -0.916 1.890 4.367
5 H GLU 2 H GLU 2 -2.881 4.185 5.929
6 HA GLU 2 HA GLU 2 -3.679 5.959 3.793
7 HB2 GLU 2 HB2 GLU 2 -3.004 6.611 6.653
8 HB3 GLU 2 HB3 GLU 2 -3.718 7.716 5.490
9 HG2 GLU 2 HG2 GLU 2 -4.960 5.247 6.662
10 HG3 GLU 2 HG3 GLU 2 -5.443 6.920 6.929
11 H ALA 3 H ALA 3 -2.467 7.595 2.984
12 HA ALA 3 HA ALA 3 0.410 7.550 3.565
13 HB1 ALA 3 HB1 ALA 3 -0.909 7.482 0.846
14 HB2 ALA 3 HB2 ALA 3 -0.038 6.149 1.602
15 HB3 ALA 3 HB3 ALA 3 0.825 7.615 1.135
16 H ILE 4 H ILE 4 -1.464 9.383 4.507
17 HA ILE 4 HA ILE 4 -1.420 11.643 2.681
18 HB ILE 4 HB ILE 4 -2.736 11.391 5.398
19 HG12 ILE 4 HG12 ILE 4 -3.959 11.264 2.631
20 HG13 ILE 4 HG13 ILE 4 -3.669 9.882 3.675
21 HG21 ILE 4 HG21 ILE 4 -3.018 13.545 3.295
22 HG22 ILE 4 HG22 ILE 4 -2.236 13.720 4.866
23 HG23 ILE 4 HG23 ILE 4 -3.973 13.429 4.773
24 HD11 ILE 4 HD11 ILE 4 -5.245 10.756 5.296
25 HD12 ILE 4 HD12 ILE 4 -6.004 10.604 3.706
26 HD13 ILE 4 HD13 ILE 4 -5.493 12.185 4.298
27 H TYR 5 H TYR 5 -0.414 10.886 5.948
28 HA TYR 5 HA TYR 5 1.114 13.396 6.006
29 HB2 TYR 5 HB2 TYR 5 -0.344 12.663 7.919
30 HB3 TYR 5 HB3 TYR 5 0.777 11.349 8.181
31 HD1 TYR 5 HD1 TYR 5 0.552 15.041 8.169
32 HD2 TYR 5 HD2 TYR 5 2.782 11.644 9.408
33 HE1 TYR 5 HE1 TYR 5 1.965 16.485 9.550
34 HE2 TYR 5 HE2 TYR 5 4.202 13.078 10.794
35 HH TYR 5 HH TYR 5 3.416 16.256 11.547
36 H ALA 6 H ALA 6 1.366 10.028 6.001
37 HA ALA 6 HA ALA 6 4.199 10.114 5.403
38 HB1 ALA 6 HB1 ALA 6 4.156 9.909 7.848
39 HB2 ALA 6 HB2 ALA 6 4.779 8.439 7.101
40 HB3 ALA 6 HB3 ALA 6 3.127 8.484 7.714
41 H ALA 7 H ALA 7 4.071 9.180 3.530
42 HA ALA 7 HA ALA 7 2.185 7.121 2.898
43 HB1 ALA 7 HB1 ALA 7 3.175 7.212 0.678
44 HB2 ALA 7 HB2 ALA 7 4.478 8.222 1.296
45 HB3 ALA 7 HB3 ALA 7 2.825 8.836 1.273
46 HA PRO 8 HA PRO 8 4.910 3.910 4.454
47 HB2 PRO 8 HB2 PRO 8 2.953 2.090 3.235
48 HB3 PRO 8 HB3 PRO 8 3.446 2.218 4.923
49 HG2 PRO 8 HG2 PRO 8 1.025 3.032 4.089
50 HG3 PRO 8 HG3 PRO 8 1.895 3.858 5.390
51 HD2 PRO 8 HD2 PRO 8 1.568 4.648 2.528
52 HD3 PRO 8 HD3 PRO 8 1.556 5.644 4.003
53 H LYS 9 H LYS 9 6.659 3.561 3.341
54 HA LYS 9 HA LYS 9 6.621 3.006 0.463
55 HB2 LYS 9 HB2 LYS 9 8.919 3.354 2.415
56 HB3 LYS 9 HB3 LYS 9 9.069 3.200 0.675
57 HG2 LYS 9 HG2 LYS 9 7.972 5.327 0.349
58 HG3 LYS 9 HG3 LYS 9 7.669 5.469 2.081
59 HD2 LYS 9 HD2 LYS 9 10.115 5.449 2.475
60 HD3 LYS 9 HD3 LYS 9 10.369 5.374 0.734
61 HE2 LYS 9 HE2 LYS 9 8.940 7.617 2.163
62 HE3 LYS 9 HE3 LYS 9 10.635 7.653 1.700
63 HZ1 LYS 9 HZ1 LYS 9 9.325 8.805 0.071
64 HZ2 LYS 9 HZ2 LYS 9 8.313 7.506 -0.187
65 HZ3 LYS 9 HZ3 LYS 9 9.934 7.412 -0.616
66 H CYS 10 H CYS 10 7.828 1.135 -0.333
67 HA CYS 10 HA CYS 10 8.276 -1.016 1.564
68 HB2 CYS 10 HB2 CYS 10 6.821 -2.527 0.235
69 HB3 CYS 10 HB3 CYS 10 5.944 -1.270 1.104
70 H ARG 11 H ARG 11 9.422 -2.735 0.686
71 HA ARG 11 HA ARG 11 10.404 -2.442 -2.076
72 HB2 ARG 11 HB2 ARG 11 11.736 -3.724 0.317
73 HB3 ARG 11 HB3 ARG 11 12.343 -3.840 -1.325
74 HG2 ARG 11 HG2 ARG 11 12.691 -1.445 -1.392
75 HG3 ARG 11 HG3 ARG 11 12.028 -1.292 0.240
76 HD2 ARG 11 HD2 ARG 11 14.461 -1.282 0.269
77 HD3 ARG 11 HD3 ARG 11 13.814 -2.698 1.091
78 HE ARG 11 HE ARG 11 14.456 -3.132 -1.671
79 HH11 ARG 11 HH11 ARG 11 15.667 -3.200 1.630
80 HH12 ARG 11 HH12 ARG 11 16.977 -4.230 1.292
81 HH21 ARG 11 HH21 ARG 11 16.232 -4.593 -2.153
82 HH22 ARG 11 HH22 ARG 11 17.286 -5.078 -0.919
83 H ARG 12 H ARG 12 9.247 -4.490 0.496
84 HA ARG 12 HA ARG 12 8.289 -6.389 -1.494
85 HB2 ARG 12 HB2 ARG 12 8.460 -8.077 0.391
86 HB3 ARG 12 HB3 ARG 12 9.958 -7.619 -0.395
87 HG2 ARG 12 HG2 ARG 12 10.346 -6.012 1.475
88 HG3 ARG 12 HG3 ARG 12 8.895 -6.637 2.247
89 HD2 ARG 12 HD2 ARG 12 9.915 -8.831 2.412
90 HD3 ARG 12 HD3 ARG 12 11.355 -8.240 1.576
91 HE ARG 12 HE ARG 12 10.740 -6.646 3.815
92 HH11 ARG 12 HH11 ARG 12 12.151 -9.775 2.960
93 HH12 ARG 12 HH12 ARG 12 13.212 -9.851 4.288
94 HH21 ARG 12 HH21 ARG 12 12.238 -6.720 5.647
95 HH22 ARG 12 HH22 ARG 12 13.268 -8.069 5.856
96 H ASP 13 H ASP 13 6.402 -7.485 -0.857
97 HA ASP 13 HA ASP 13 4.382 -5.674 -0.210
98 HB2 ASP 13 HB2 ASP 13 4.479 -8.646 -0.499
99 HB3 ASP 13 HB3 ASP 13 3.005 -7.768 -0.184
100 H SER 14 H SER 14 6.091 -8.042 1.538
101 HA SER 14 HA SER 14 4.472 -8.191 3.814
102 HB2 SER 14 HB2 SER 14 6.654 -9.052 4.825
103 HB3 SER 14 HB3 SER 14 5.891 -9.951 3.489
104 HG SER 14 HG SER 14 7.570 -9.563 2.314
105 H ASP 15 H ASP 15 6.574 -5.776 2.793
106 HA ASP 15 HA ASP 15 7.137 -4.591 5.395
107 HB2 ASP 15 HB2 ASP 15 7.229 -3.217 2.693
108 HB3 ASP 15 HB3 ASP 15 7.847 -2.564 4.194
109 H CYS 16 H CYS 16 4.454 -4.741 3.383
110 HA CYS 16 HA CYS 16 3.450 -2.148 4.081
111 HB2 CYS 16 HB2 CYS 16 2.416 -4.352 2.339
112 HB3 CYS 16 HB3 CYS 16 1.593 -2.815 2.596
113 HA PRO 17 HA PRO 17 1.163 -3.812 7.487
114 HB2 PRO 17 HB2 PRO 17 -0.189 -1.570 8.133
115 HB3 PRO 17 HB3 PRO 17 1.538 -1.746 8.467
116 HG2 PRO 17 HG2 PRO 17 0.178 -0.302 6.233
117 HG3 PRO 17 HG3 PRO 17 1.572 0.202 7.205
118 HD2 PRO 17 HD2 PRO 17 1.788 -0.870 4.711
119 HD3 PRO 17 HD3 PRO 17 3.045 -1.029 5.953
120 H GLY 18 H GLY 18 -1.205 -3.615 8.222
121 HA2 GLY 18 HA2 GLY 18 -3.400 -4.103 7.882
122 HA3 GLY 18 HA3 GLY 18 -3.300 -3.062 6.467
123 H ALA 19 H ALA 19 -3.813 -3.993 4.686
124 HA ALA 19 HA ALA 19 -2.912 -6.730 4.207
125 HB1 ALA 19 HB1 ALA 19 -5.624 -5.614 3.500
126 HB2 ALA 19 HB2 ALA 19 -5.300 -6.747 4.810
127 HB3 ALA 19 HB3 ALA 19 -5.037 -7.239 3.137
128 H CYS 20 H CYS 20 -2.076 -3.926 3.554
129 HA CYS 20 HA CYS 20 -2.726 -3.467 0.802
130 HB2 CYS 20 HB2 CYS 20 -0.615 -2.247 2.564
131 HB3 CYS 20 HB3 CYS 20 -1.195 -1.618 1.029
132 H ILE 21 H ILE 21 -1.250 -3.618 -0.927
133 HA ILE 21 HA ILE 21 1.067 -5.327 -0.403
134 HB ILE 21 HB ILE 21 1.037 -5.829 -2.836
135 HG12 ILE 21 HG12 ILE 21 -1.682 -4.480 -2.809
136 HG13 ILE 21 HG13 ILE 21 -0.235 -3.837 -3.567
137 HG21 ILE 21 HG21 ILE 21 -0.868 -7.406 -2.765
138 HG22 ILE 21 HG22 ILE 21 -1.397 -6.639 -1.262
139 HG23 ILE 21 HG23 ILE 21 0.162 -7.451 -1.337
140 HD11 ILE 21 HD11 ILE 21 -0.200 -5.675 -5.129
141 HD12 ILE 21 HD12 ILE 21 -1.773 -4.870 -5.166
142 HD13 ILE 21 HD13 ILE 21 -1.584 -6.409 -4.326
143 H CYS 22 H CYS 22 2.749 -4.913 -2.215
144 HA CYS 22 HA CYS 22 3.462 -2.111 -1.934
145 HB2 CYS 22 HB2 CYS 22 5.042 -3.996 -1.349
146 HB3 CYS 22 HB3 CYS 22 5.088 -4.401 -3.062
147 H ARG 23 H ARG 23 2.981 -0.751 -3.566
148 HA ARG 23 HA ARG 23 2.236 -1.812 -6.128
149 HB2 ARG 23 HB2 ARG 23 2.255 0.992 -5.032
150 HB3 ARG 23 HB3 ARG 23 1.558 0.493 -6.564
151 HG2 ARG 23 HG2 ARG 23 -0.014 -0.960 -5.370
152 HG3 ARG 23 HG3 ARG 23 0.676 -0.429 -3.845
153 HD2 ARG 23 HD2 ARG 23 0.002 1.835 -4.224
154 HD3 ARG 23 HD3 ARG 23 -0.542 1.447 -5.852
155 HE ARG 23 HE ARG 23 -1.949 -0.181 -4.126
156 HH11 ARG 23 HH11 ARG 23 -1.593 3.297 -4.669
157 HH12 ARG 23 HH12 ARG 23 -3.210 3.690 -4.356
158 HH21 ARG 23 HH21 ARG 23 -4.243 0.357 -3.589
159 HH22 ARG 23 HH22 ARG 23 -4.733 1.986 -3.735
160 H GLY 24 H GLY 24 3.007 -0.431 -8.056
161 HA2 GLY 24 HA2 GLY 24 5.804 -0.884 -8.362
162 HA3 GLY 24 HA3 GLY 24 4.750 -0.140 -9.545
163 H ASN 25 H ASN 25 4.252 1.745 -7.044
164 HA ASN 25 HA ASN 25 6.302 3.652 -7.783
165 HB2 ASN 25 HB2 ASN 25 5.033 5.199 -6.196
166 HB3 ASN 25 HB3 ASN 25 4.168 4.686 -7.632
167 HD21 ASN 25 HD21 ASN 25 2.267 5.251 -6.513
168 HD22 ASN 25 HD22 ASN 25 1.556 4.210 -5.332
169 H GLY 26 H GLY 26 5.706 1.360 -5.360
170 HA2 GLY 26 HA2 GLY 26 7.383 0.627 -3.889
171 HA3 GLY 26 HA3 GLY 26 8.126 2.222 -3.966
172 H TYR 27 H TYR 27 4.756 2.025 -3.658
173 HA TYR 27 HA TYR 27 4.853 2.638 -0.823
174 HB2 TYR 27 HB2 TYR 27 3.315 3.778 -3.074
175 HB3 TYR 27 HB3 TYR 27 2.750 3.978 -1.403
176 HD1 TYR 27 HD2 TYR 27 4.621 4.882 0.199
177 HD2 TYR 27 HD1 TYR 27 4.626 5.394 -4.004
178 HE1 TYR 27 HE2 TYR 27 6.112 6.783 0.451
179 HE2 TYR 27 HE1 TYR 27 6.140 7.304 -3.777
180 HH TYR 27 HH TYR 27 6.699 8.940 -2.027
181 H CYS 28 H CYS 28 3.253 1.864 0.363
182 HA CYS 28 HA CYS 28 2.007 -0.554 -0.537
183 HB2 CYS 28 HB2 CYS 28 1.826 0.881 2.091
184 HB3 CYS 28 HB3 CYS 28 1.284 -0.759 1.764
185 H GLY 29 H GLY 29 -0.083 -0.919 -0.985
186 HA2 GLY 29 HA2 GLY 29 -2.164 0.820 -0.052
187 HA3 GLY 29 HA3 GLY 29 -1.894 0.918 -1.793
188 H GLU 30 H GLU 30 -4.180 -0.175 -0.194
189 HA GLU 30 HA GLU 30 -4.152 -2.938 -0.641
190 HB2 GLU 30 HB2 GLU 30 -5.532 -2.067 1.116
191 HB3 GLU 30 HB3 GLU 30 -6.366 -0.971 0.031
192 HG2 GLU 30 HG2 GLU 30 -7.796 -2.804 0.769
193 HG3 GLU 30 HG3 GLU 30 -7.540 -2.872 -0.965
194 H ALA 31 H ALA 31 -5.809 -3.939 -2.114
195 HA ALA 31 HA ALA 31 -5.215 -3.240 -4.812
196 HB1 ALA 31 HB1 ALA 31 -5.652 -5.553 -4.115
197 HB2 ALA 31 HB2 ALA 31 -6.711 -5.063 -5.435
198 HB3 ALA 31 HB3 ALA 31 -7.331 -5.130 -3.784
199 H ILE 32 H ILE 32 -7.870 -2.662 -2.693
200 HA ILE 32 HA ILE 32 -9.012 -1.012 -4.768
201 HB ILE 32 HB ILE 32 -10.502 -2.262 -2.457
202 HG12 ILE 32 HG12 ILE 32 -10.541 -3.011 -5.398
203 HG13 ILE 32 HG13 ILE 32 -9.867 -3.977 -4.092
204 HG21 ILE 32 HG21 ILE 32 -11.496 -0.151 -3.126
205 HG22 ILE 32 HG22 ILE 32 -12.553 -1.485 -3.583
206 HG23 ILE 32 HG23 ILE 32 -11.566 -0.690 -4.806
207 HD11 ILE 32 HD11 ILE 32 -12.121 -4.266 -3.169
208 HD12 ILE 32 HD12 ILE 32 -12.010 -4.840 -4.831
209 HD13 ILE 32 HD13 ILE 32 -12.768 -3.286 -4.482
210 H TYR 33 H TYR 33 -9.361 1.035 -4.169
211 HA TYR 33 HA TYR 33 -7.822 1.975 -1.922
212 HB2 TYR 33 HB2 TYR 33 -7.854 3.160 -4.125
213 HB3 TYR 33 HB3 TYR 33 -9.521 3.609 -3.822
214 HD1 TYR 33 HD1 TYR 33 -6.156 3.877 -2.221
215 HD2 TYR 33 HD2 TYR 33 -9.936 5.718 -2.889
216 HE1 TYR 33 HE1 TYR 33 -5.363 5.900 -1.092
217 HE2 TYR 33 HE2 TYR 33 -9.154 7.749 -1.762
218 HH TYR 33 HH TYR 33 -5.872 8.272 -1.047
219 H ALA 34 H ALA 34 -11.172 1.654 -2.698
220 HA ALA 34 HA ALA 34 -12.113 3.149 -0.433
221 HB1 ALA 34 HB1 ALA 34 -14.322 2.525 -1.211
222 HB2 ALA 34 HB2 ALA 34 -13.607 1.392 -2.358
223 HB3 ALA 34 HB3 ALA 34 -13.329 3.125 -2.539
224 H ALA 35 H ALA 35 -10.482 0.602 -0.020
225 HA ALA 35 HA ALA 35 -12.185 -1.329 1.164
226 HB1 ALA 35 HB1 ALA 35 -9.261 -0.747 1.693
227 HB2 ALA 35 HB2 ALA 35 -9.896 -1.880 0.501
228 HB3 ALA 35 HB3 ALA 35 -10.125 -2.189 2.221
229 HA PRO 36 HA PRO 36 -13.633 1.120 4.571
230 HB2 PRO 36 HB2 PRO 36 -13.817 -1.525 5.920
231 HB3 PRO 36 HB3 PRO 36 -15.030 -0.250 5.747
232 HG2 PRO 36 HG2 PRO 36 -15.150 -2.439 4.253
233 HG3 PRO 36 HG3 PRO 36 -15.561 -0.850 3.586
234 HD2 PRO 36 HD2 PRO 36 -13.124 -2.509 3.161
235 HD3 PRO 36 HD3 PRO 36 -13.970 -1.409 2.055
236 H PHE 37 H PHE 37 -11.569 -1.558 5.599
237 HA PHE 37 HA PHE 37 -10.296 0.294 7.476
238 HB2 PHE 37 HB2 PHE 37 -11.833 -1.095 8.746
239 HB3 PHE 37 HB3 PHE 37 -11.129 -2.550 8.062
240 HD1 PHE 37 HD2 PHE 37 -10.460 0.312 10.296
241 HD2 PHE 37 HD1 PHE 37 -9.225 -3.545 9.033
242 HE1 PHE 37 HE2 PHE 37 -8.866 0.207 12.167
243 HE2 PHE 37 HE1 PHE 37 -7.637 -3.661 10.893
244 HZ PHE 37 HZ PHE 37 -7.455 -1.773 12.468
245 H ALA 38 H ALA 38 -9.936 -2.315 5.227
246 HA ALA 38 HA ALA 38 -7.308 -3.115 6.016
247 HB1 ALA 38 HB1 ALA 38 -8.911 -4.649 4.960
248 HB2 ALA 38 HB2 ALA 38 -7.387 -4.568 4.077
249 HB3 ALA 38 HB3 ALA 38 -8.803 -3.713 3.470
250 H ARG 39 H ARG 39 -7.629 -0.385 5.360
251 HA ARG 39 HA ARG 39 -6.042 0.076 2.941
252 HB2 ARG 39 HB2 ARG 39 -7.564 1.866 4.775
253 HB3 ARG 39 HB3 ARG 39 -6.340 2.524 3.706
254 HG2 ARG 39 HG2 ARG 39 -7.544 1.708 1.788
255 HG3 ARG 39 HG3 ARG 39 -8.721 0.920 2.847
256 HD2 ARG 39 HD2 ARG 39 -9.540 3.059 1.958
257 HD3 ARG 39 HD3 ARG 39 -9.444 3.031 3.712
258 HE ARG 39 HE ARG 39 -7.394 4.361 3.529
259 HH11 ARG 39 HH11 ARG 39 -9.461 4.261 0.693
260 HH12 ARG 39 HH12 ARG 39 -9.150 5.856 0.215
261 HH21 ARG 39 HH21 ARG 39 -6.895 6.532 2.873
262 HH22 ARG 39 HH22 ARG 39 -7.589 7.179 1.455
Start of MODEL 4
1 H1 CYS 1 H CYS 1 -3.305 1.850 2.792
2 HA CYS 1 HA CYS 1 -1.623 3.334 4.661
3 HB2 CYS 1 HB2 CYS 1 -0.802 2.004 2.081
4 HB3 CYS 1 HB3 CYS 1 0.257 2.855 3.196
5 H GLU 2 H GLU 2 -2.988 5.102 4.359
6 HA GLU 2 HA GLU 2 -3.056 6.248 1.716
7 HB2 GLU 2 HB2 GLU 2 -4.381 7.019 4.289
8 HB3 GLU 2 HB3 GLU 2 -4.468 8.019 2.852
9 HG2 GLU 2 HG2 GLU 2 -5.473 5.196 3.143
10 HG3 GLU 2 HG3 GLU 2 -6.441 6.665 2.983
11 H ALA 3 H ALA 3 -2.381 8.294 1.259
12 HA ALA 3 HA ALA 3 0.109 8.917 2.554
13 HB1 ALA 3 HB1 ALA 3 0.043 8.781 0.098
14 HB2 ALA 3 HB2 ALA 3 0.484 10.396 0.651
15 HB3 ALA 3 HB3 ALA 3 -1.150 10.079 0.067
16 H ILE 4 H ILE 4 -0.512 9.801 4.406
17 HA ILE 4 HA ILE 4 -2.287 12.106 4.403
18 HB ILE 4 HB ILE 4 -0.655 11.001 6.725
19 HG12 ILE 4 HG12 ILE 4 -2.137 9.235 5.883
20 HG13 ILE 4 HG13 ILE 4 -2.678 9.805 7.455
21 HG21 ILE 4 HG21 ILE 4 -3.103 12.753 6.722
22 HG22 ILE 4 HG22 ILE 4 -1.454 13.274 7.044
23 HG23 ILE 4 HG23 ILE 4 -2.256 12.158 8.153
24 HD11 ILE 4 HD11 ILE 4 -3.860 10.542 4.790
25 HD12 ILE 4 HD12 ILE 4 -4.409 11.137 6.356
26 HD13 ILE 4 HD13 ILE 4 -4.551 9.420 5.964
27 H TYR 5 H TYR 5 0.885 11.473 5.704
28 HA TYR 5 HA TYR 5 1.767 14.145 4.921
29 HB2 TYR 5 HB2 TYR 5 2.164 13.210 7.221
30 HB3 TYR 5 HB3 TYR 5 3.182 11.994 6.486
31 HD1 TYR 5 HD2 TYR 5 2.862 15.655 6.957
32 HD2 TYR 5 HD1 TYR 5 5.440 12.413 6.010
33 HE1 TYR 5 HE2 TYR 5 4.781 17.147 7.099
34 HE2 TYR 5 HE1 TYR 5 7.365 13.889 6.155
35 HH TYR 5 HH TYR 5 7.836 16.294 5.961
36 H ALA 6 H ALA 6 2.138 10.793 4.461
37 HA ALA 6 HA ALA 6 3.144 10.827 1.836
38 HB1 ALA 6 HB1 ALA 6 5.213 10.171 3.956
39 HB2 ALA 6 HB2 ALA 6 5.252 11.570 2.884
40 HB3 ALA 6 HB3 ALA 6 5.421 9.945 2.218
41 H ALA 7 H ALA 7 3.186 8.687 1.007
42 HA ALA 7 HA ALA 7 1.824 6.779 2.670
43 HB1 ALA 7 HB1 ALA 7 1.161 6.986 0.328
44 HB2 ALA 7 HB2 ALA 7 1.811 5.374 0.624
45 HB3 ALA 7 HB3 ALA 7 2.796 6.588 -0.190
46 HA PRO 8 HA PRO 8 5.534 4.686 4.105
47 HB2 PRO 8 HB2 PRO 8 3.879 2.223 3.828
48 HB3 PRO 8 HB3 PRO 8 4.753 2.827 5.240
49 HG2 PRO 8 HG2 PRO 8 2.099 2.993 5.104
50 HG3 PRO 8 HG3 PRO 8 3.064 4.289 5.831
51 HD2 PRO 8 HD2 PRO 8 1.740 4.190 3.153
52 HD3 PRO 8 HD3 PRO 8 1.938 5.549 4.280
53 H LYS 9 H LYS 9 7.211 3.948 2.935
54 HA LYS 9 HA LYS 9 6.778 3.131 0.174
55 HB2 LYS 9 HB2 LYS 9 9.333 3.634 1.717
56 HB3 LYS 9 HB3 LYS 9 9.210 3.388 -0.023
57 HG2 LYS 9 HG2 LYS 9 7.875 5.408 -0.231
58 HG3 LYS 9 HG3 LYS 9 7.951 5.647 1.512
59 HD2 LYS 9 HD2 LYS 9 10.387 5.896 1.357
60 HD3 LYS 9 HD3 LYS 9 10.290 5.666 -0.391
61 HE2 LYS 9 HE2 LYS 9 8.869 7.640 -0.586
62 HE3 LYS 9 HE3 LYS 9 8.926 7.866 1.157
63 HZ1 LYS 9 HZ1 LYS 9 11.267 7.982 -0.658
64 HZ2 LYS 9 HZ2 LYS 9 11.280 8.294 1.007
65 HZ3 LYS 9 HZ3 LYS 9 10.443 9.312 -0.042
66 H CYS 10 H CYS 10 7.558 1.198 -0.696
67 HA CYS 10 HA CYS 10 7.986 -0.903 1.318
68 HB2 CYS 10 HB2 CYS 10 6.639 -2.390 -0.047
69 HB3 CYS 10 HB3 CYS 10 5.709 -0.990 0.474
70 H ARG 11 H ARG 11 9.229 -2.609 0.702
71 HA ARG 11 HA ARG 11 10.480 -2.528 -1.951
72 HB2 ARG 11 HB2 ARG 11 11.602 -3.658 0.631
73 HB3 ARG 11 HB3 ARG 11 12.378 -3.791 -0.938
74 HG2 ARG 11 HG2 ARG 11 11.879 -1.265 0.636
75 HG3 ARG 11 HG3 ARG 11 13.439 -2.036 0.341
76 HD2 ARG 11 HD2 ARG 11 13.210 -1.597 -2.043
77 HD3 ARG 11 HD3 ARG 11 11.617 -0.900 -1.773
78 HE ARG 11 HE ARG 11 14.138 0.246 -0.823
79 HH11 ARG 11 HH11 ARG 11 10.718 0.663 -1.739
80 HH12 ARG 11 HH12 ARG 11 10.838 2.344 -1.937
81 HH21 ARG 11 HH21 ARG 11 14.259 2.615 -1.089
82 HH22 ARG 11 HH22 ARG 11 12.879 3.473 -1.556
83 H ARG 12 H ARG 12 9.021 -4.356 0.594
84 HA ARG 12 HA ARG 12 8.211 -6.480 -1.282
85 HB2 ARG 12 HB2 ARG 12 8.314 -7.967 0.735
86 HB3 ARG 12 HB3 ARG 12 9.870 -7.518 0.057
87 HG2 ARG 12 HG2 ARG 12 9.988 -5.703 1.760
88 HG3 ARG 12 HG3 ARG 12 8.477 -6.286 2.425
89 HD2 ARG 12 HD2 ARG 12 9.590 -8.401 2.966
90 HD3 ARG 12 HD3 ARG 12 11.121 -7.716 2.384
91 HE ARG 12 HE ARG 12 10.165 -5.853 4.099
92 HH11 ARG 12 HH11 ARG 12 10.945 -9.301 4.455
93 HH12 ARG 12 HH12 ARG 12 11.250 -9.163 6.129
94 HH21 ARG 12 HH21 ARG 12 10.630 -5.701 6.354
95 HH22 ARG 12 HH22 ARG 12 11.067 -7.104 7.227
96 H ASP 13 H ASP 13 6.274 -7.545 -0.552
97 HA ASP 13 HA ASP 13 4.257 -5.665 -0.008
98 HB2 ASP 13 HB2 ASP 13 4.293 -8.653 -0.097
99 HB3 ASP 13 HB3 ASP 13 2.859 -7.718 0.230
100 H SER 14 H SER 14 6.004 -7.921 1.864
101 HA SER 14 HA SER 14 4.371 -7.871 4.154
102 HB2 SER 14 HB2 SER 14 6.491 -8.764 5.226
103 HB3 SER 14 HB3 SER 14 5.696 -9.712 3.939
104 HG SER 14 HG SER 14 8.075 -9.337 3.923
105 H ASP 15 H ASP 15 6.491 -5.609 2.956
106 HA ASP 15 HA ASP 15 7.157 -4.281 5.448
107 HB2 ASP 15 HB2 ASP 15 6.991 -3.094 2.665
108 HB3 ASP 15 HB3 ASP 15 7.543 -2.222 4.081
109 H CYS 16 H CYS 16 4.492 -4.401 3.329
110 HA CYS 16 HA CYS 16 3.259 -2.006 4.344
111 HB2 CYS 16 HB2 CYS 16 2.326 -4.041 2.329
112 HB3 CYS 16 HB3 CYS 16 1.680 -2.422 2.588
113 HA PRO 17 HA PRO 17 1.137 -4.527 7.323
114 HB2 PRO 17 HB2 PRO 17 -0.502 -2.686 8.360
115 HB3 PRO 17 HB3 PRO 17 1.244 -2.649 8.640
116 HG2 PRO 17 HG2 PRO 17 -0.398 -1.057 6.711
117 HG3 PRO 17 HG3 PRO 17 0.934 -0.521 7.749
118 HD2 PRO 17 HD2 PRO 17 1.221 -1.107 5.090
119 HD3 PRO 17 HD3 PRO 17 2.532 -1.246 6.278
120 H GLY 18 H GLY 18 -0.511 -5.847 7.312
121 HA2 GLY 18 HA2 GLY 18 -2.489 -6.853 6.945
122 HA3 GLY 18 HA3 GLY 18 -3.183 -5.256 7.055
123 H ALA 19 H ALA 19 -3.909 -4.278 5.223
124 HA ALA 19 HA ALA 19 -4.358 -6.128 3.035
125 HB1 ALA 19 HB1 ALA 19 -6.273 -5.097 4.139
126 HB2 ALA 19 HB2 ALA 19 -6.190 -4.686 2.429
127 HB3 ALA 19 HB3 ALA 19 -5.695 -3.505 3.645
128 H CYS 20 H CYS 20 -2.248 -3.631 3.705
129 HA CYS 20 HA CYS 20 -2.186 -2.518 1.078
130 HB2 CYS 20 HB2 CYS 20 -0.204 -2.406 3.306
131 HB3 CYS 20 HB3 CYS 20 -0.130 -1.479 1.826
132 H ILE 21 H ILE 21 -0.876 -3.013 -0.468
133 HA ILE 21 HA ILE 21 1.061 -5.184 -0.094
134 HB ILE 21 HB ILE 21 0.728 -5.807 -2.464
135 HG12 ILE 21 HG12 ILE 21 -1.621 -3.886 -2.439
136 HG13 ILE 21 HG13 ILE 21 -0.093 -3.591 -3.260
137 HG21 ILE 21 HG21 ILE 21 -0.485 -7.058 -0.796
138 HG22 ILE 21 HG22 ILE 21 -1.476 -6.890 -2.246
139 HG23 ILE 21 HG23 ILE 21 -1.802 -5.888 -0.832
140 HD11 ILE 21 HD11 ILE 21 -0.496 -5.519 -4.693
141 HD12 ILE 21 HD12 ILE 21 -1.806 -4.339 -4.814
142 HD13 ILE 21 HD13 ILE 21 -2.024 -5.816 -3.869
143 H CYS 22 H CYS 22 2.720 -4.999 -1.988
144 HA CYS 22 HA CYS 22 3.661 -2.243 -1.838
145 HB2 CYS 22 HB2 CYS 22 5.223 -4.110 -1.300
146 HB3 CYS 22 HB3 CYS 22 5.052 -4.699 -2.950
147 H ARG 23 H ARG 23 3.101 -0.871 -3.433
148 HA ARG 23 HA ARG 23 2.155 -1.987 -5.913
149 HB2 ARG 23 HB2 ARG 23 2.260 0.868 -4.978
150 HB3 ARG 23 HB3 ARG 23 1.405 0.251 -6.367
151 HG2 ARG 23 HG2 ARG 23 -0.039 -1.092 -4.864
152 HG3 ARG 23 HG3 ARG 23 0.769 -0.349 -3.483
153 HD2 ARG 23 HD2 ARG 23 -1.339 0.792 -3.980
154 HD3 ARG 23 HD3 ARG 23 0.038 1.867 -4.246
155 HE ARG 23 HE ARG 23 -0.575 0.537 -6.625
156 HH11 ARG 23 HH11 ARG 23 -1.977 3.076 -4.594
157 HH12 ARG 23 HH12 ARG 23 -2.745 3.870 -5.886
158 HH21 ARG 23 HH21 ARG 23 -1.605 1.558 -8.349
159 HH22 ARG 23 HH22 ARG 23 -2.538 2.969 -8.111
160 H GLY 24 H GLY 24 2.836 -0.825 -7.932
161 HA2 GLY 24 HA2 GLY 24 5.639 -1.154 -8.245
162 HA3 GLY 24 HA3 GLY 24 4.512 -0.628 -9.479
163 H ASN 25 H ASN 25 4.024 1.461 -7.072
164 HA ASN 25 HA ASN 25 5.782 3.458 -8.249
165 HB2 ASN 25 HB2 ASN 25 4.470 5.099 -6.996
166 HB3 ASN 25 HB3 ASN 25 3.384 4.015 -7.852
167 HD21 ASN 25 HD21 ASN 25 2.800 5.660 -5.593
168 HD22 ASN 25 HD22 ASN 25 2.268 4.615 -4.338
169 H GLY 26 H GLY 26 5.622 1.346 -5.611
170 HA2 GLY 26 HA2 GLY 26 7.557 0.834 -4.371
171 HA3 GLY 26 HA3 GLY 26 8.095 2.500 -4.577
172 H TYR 27 H TYR 27 4.808 2.101 -3.867
173 HA TYR 27 HA TYR 27 5.282 2.759 -1.084
174 HB2 TYR 27 HB2 TYR 27 3.503 3.882 -3.146
175 HB3 TYR 27 HB3 TYR 27 3.163 4.168 -1.423
176 HD1 TYR 27 HD2 TYR 27 5.283 4.959 -4.307
177 HD2 TYR 27 HD1 TYR 27 4.717 5.640 -0.160
178 HE1 TYR 27 HE2 TYR 27 6.823 6.842 -4.415
179 HE2 TYR 27 HE1 TYR 27 6.242 7.520 -0.249
180 HH TYR 27 HH TYR 27 7.354 8.827 -3.224
181 H CYS 28 H CYS 28 3.704 2.107 0.286
182 HA CYS 28 HA CYS 28 2.401 -0.362 -0.350
183 HB2 CYS 28 HB2 CYS 28 2.513 1.322 2.142
184 HB3 CYS 28 HB3 CYS 28 1.703 -0.235 2.040
185 H GLY 29 H GLY 29 0.309 -0.628 -0.779
186 HA2 GLY 29 HA2 GLY 29 -1.615 1.337 0.112
187 HA3 GLY 29 HA3 GLY 29 -1.423 1.207 -1.634
188 H GLU 30 H GLU 30 -3.651 0.472 0.291
189 HA GLU 30 HA GLU 30 -3.980 -2.281 0.183
190 HB2 GLU 30 HB2 GLU 30 -5.324 -0.871 1.581
191 HB3 GLU 30 HB3 GLU 30 -6.057 -0.095 0.157
192 HG2 GLU 30 HG2 GLU 30 -6.775 -2.523 -0.405
193 HG3 GLU 30 HG3 GLU 30 -6.450 -2.818 1.305
194 H ALA 31 H ALA 31 -5.041 -3.435 -1.230
195 HA ALA 31 HA ALA 31 -5.055 -2.506 -3.984
196 HB1 ALA 31 HB1 ALA 31 -5.811 -5.226 -2.904
197 HB2 ALA 31 HB2 ALA 31 -4.248 -4.780 -3.591
198 HB3 ALA 31 HB3 ALA 31 -5.685 -4.817 -4.614
199 H ILE 32 H ILE 32 -7.573 -4.599 -2.709
200 HA ILE 32 HA ILE 32 -9.549 -2.459 -2.656
201 HB ILE 32 HB ILE 32 -10.167 -5.023 -3.921
202 HG12 ILE 32 HG12 ILE 32 -9.449 -2.540 -5.533
203 HG13 ILE 32 HG13 ILE 32 -8.504 -4.022 -5.458
204 HG21 ILE 32 HG21 ILE 32 -12.157 -3.738 -4.867
205 HG22 ILE 32 HG22 ILE 32 -11.553 -2.321 -4.010
206 HG23 ILE 32 HG23 ILE 32 -12.062 -3.745 -3.105
207 HD11 ILE 32 HD11 ILE 32 -10.314 -5.220 -6.587
208 HD12 ILE 32 HD12 ILE 32 -9.722 -3.866 -7.547
209 HD13 ILE 32 HD13 ILE 32 -11.246 -3.724 -6.669
210 H TYR 33 H TYR 33 -9.619 -2.881 -0.568
211 HA TYR 33 HA TYR 33 -10.797 -5.377 0.307
212 HB2 TYR 33 HB2 TYR 33 -8.418 -3.965 1.488
213 HB3 TYR 33 HB3 TYR 33 -9.356 -5.189 2.312
214 HD1 TYR 33 HD1 TYR 33 -9.472 -7.519 1.108
215 HD2 TYR 33 HD2 TYR 33 -6.563 -4.561 0.199
216 HE1 TYR 33 HE1 TYR 33 -8.049 -9.229 0.103
217 HE2 TYR 33 HE2 TYR 33 -5.126 -6.265 -0.809
218 HH TYR 33 HH TYR 33 -4.790 -8.756 -0.705
219 H ALA 34 H ALA 34 -11.002 -4.731 2.972
220 HA ALA 34 HA ALA 34 -12.440 -2.169 3.023
221 HB1 ALA 34 HB1 ALA 34 -14.053 -3.999 2.736
222 HB2 ALA 34 HB2 ALA 34 -14.210 -3.272 4.336
223 HB3 ALA 34 HB3 ALA 34 -13.383 -4.817 4.147
224 H ALA 35 H ALA 35 -9.803 -2.717 3.870
225 HA ALA 35 HA ALA 35 -9.667 -3.403 6.625
226 HB1 ALA 35 HB1 ALA 35 -7.657 -2.028 4.864
227 HB2 ALA 35 HB2 ALA 35 -7.792 -3.768 5.141
228 HB3 ALA 35 HB3 ALA 35 -7.357 -2.685 6.468
229 HA PRO 36 HA PRO 36 -11.011 0.629 8.117
230 HB2 PRO 36 HB2 PRO 36 -10.204 -0.477 10.722
231 HB3 PRO 36 HB3 PRO 36 -11.761 0.168 10.204
232 HG2 PRO 36 HG2 PRO 36 -11.398 -2.454 10.573
233 HG3 PRO 36 HG3 PRO 36 -12.442 -1.827 9.285
234 HD2 PRO 36 HD2 PRO 36 -9.674 -2.936 9.111
235 HD3 PRO 36 HD3 PRO 36 -11.056 -3.126 8.012
236 H PHE 37 H PHE 37 -7.995 -0.904 9.108
237 HA PHE 37 HA PHE 37 -6.870 1.781 9.352
238 HB2 PHE 37 HB2 PHE 37 -7.312 0.928 11.612
239 HB3 PHE 37 HB3 PHE 37 -6.312 -0.480 11.282
240 HD1 PHE 37 HD2 PHE 37 -6.117 3.248 11.254
241 HD2 PHE 37 HD1 PHE 37 -4.104 -0.437 11.988
242 HE1 PHE 37 HE2 PHE 37 -4.145 4.483 12.050
243 HE2 PHE 37 HE1 PHE 37 -2.135 0.798 12.783
244 HZ PHE 37 HZ PHE 37 -2.155 3.259 12.815
245 H ALA 38 H ALA 38 -6.495 -1.422 8.195
246 HA ALA 38 HA ALA 38 -3.661 -1.174 7.785
247 HB1 ALA 38 HB1 ALA 38 -4.706 -3.371 8.278
248 HB2 ALA 38 HB2 ALA 38 -3.747 -3.330 6.795
249 HB3 ALA 38 HB3 ALA 38 -5.497 -3.299 6.691
250 H ARG 39 H ARG 39 -5.243 0.810 6.574
251 HA ARG 39 HA ARG 39 -4.563 0.379 3.773
252 HB2 ARG 39 HB2 ARG 39 -6.412 2.362 5.059
253 HB3 ARG 39 HB3 ARG 39 -5.873 2.492 3.402
254 HG2 ARG 39 HG2 ARG 39 -6.846 0.283 2.923
255 HG3 ARG 39 HG3 ARG 39 -7.448 0.223 4.578
256 HD2 ARG 39 HD2 ARG 39 -8.841 2.141 4.190
257 HD3 ARG 39 HD3 ARG 39 -8.163 2.353 2.572
258 HE ARG 39 HE ARG 39 -9.076 -0.188 2.585
259 HH11 ARG 39 HH11 ARG 39 -10.614 2.940 3.190
260 HH12 ARG 39 HH12 ARG 39 -12.151 2.447 2.628
261 HH21 ARG 39 HH21 ARG 39 -11.127 -0.843 1.805
262 HH22 ARG 39 HH22 ARG 39 -12.451 0.220 1.828
Start of MODEL 5
1 H1 CYS 1 H CYS 1 -3.841 1.629 3.511
2 HA CYS 1 HA CYS 1 -2.680 3.546 5.088
3 HB2 CYS 1 HB2 CYS 1 -0.357 2.733 5.294
4 HB3 CYS 1 HB3 CYS 1 -1.428 1.637 6.133
5 H GLU 2 H GLU 2 -2.964 4.908 3.490
6 HA GLU 2 HA GLU 2 -1.983 4.166 0.823
7 HB2 GLU 2 HB2 GLU 2 -4.325 5.938 1.558
8 HB3 GLU 2 HB3 GLU 2 -3.811 5.520 -0.067
9 HG2 GLU 2 HG2 GLU 2 -4.499 3.297 0.140
10 HG3 GLU 2 HG3 GLU 2 -4.572 3.393 1.896
11 H ALA 3 H ALA 3 -1.143 5.947 -0.392
12 HA ALA 3 HA ALA 3 0.360 7.700 1.341
13 HB1 ALA 3 HB1 ALA 3 1.504 6.482 -0.473
14 HB2 ALA 3 HB2 ALA 3 1.707 8.229 -0.609
15 HB3 ALA 3 HB3 ALA 3 0.562 7.388 -1.655
16 H ILE 4 H ILE 4 -1.917 8.533 1.734
17 HA ILE 4 HA ILE 4 -2.106 11.026 0.195
18 HB ILE 4 HB ILE 4 -4.394 9.694 1.700
19 HG12 ILE 4 HG12 ILE 4 -3.973 9.914 -1.297
20 HG13 ILE 4 HG13 ILE 4 -3.744 8.446 -0.358
21 HG21 ILE 4 HG21 ILE 4 -4.562 12.124 1.645
22 HG22 ILE 4 HG22 ILE 4 -5.801 11.393 0.623
23 HG23 ILE 4 HG23 ILE 4 -4.365 12.112 -0.108
24 HD11 ILE 4 HD11 ILE 4 -5.875 8.439 -1.525
25 HD12 ILE 4 HD12 ILE 4 -6.340 9.931 -0.708
26 HD13 ILE 4 HD13 ILE 4 -6.117 8.449 0.221
27 H TYR 5 H TYR 5 -2.804 9.592 3.322
28 HA TYR 5 HA TYR 5 -2.425 12.168 4.632
29 HB2 TYR 5 HB2 TYR 5 -4.220 10.420 5.204
30 HB3 TYR 5 HB3 TYR 5 -2.928 9.509 5.943
31 HD1 TYR 5 HD1 TYR 5 -4.657 12.761 6.102
32 HD2 TYR 5 HD2 TYR 5 -2.228 9.950 8.157
33 HE1 TYR 5 HE1 TYR 5 -4.958 14.035 8.159
34 HE2 TYR 5 HE2 TYR 5 -2.518 11.216 10.242
35 HH TYR 5 HH TYR 5 -4.866 13.637 10.545
36 H ALA 6 H ALA 6 -0.929 9.110 4.222
37 HA ALA 6 HA ALA 6 1.607 10.126 5.202
38 HB1 ALA 6 HB1 ALA 6 1.992 8.228 6.719
39 HB2 ALA 6 HB2 ALA 6 0.359 7.643 6.404
40 HB3 ALA 6 HB3 ALA 6 0.598 9.179 7.234
41 H ALA 7 H ALA 7 3.019 9.591 3.717
42 HA ALA 7 HA ALA 7 2.434 7.604 1.732
43 HB1 ALA 7 HB1 ALA 7 4.480 8.379 0.681
44 HB2 ALA 7 HB2 ALA 7 4.851 9.359 2.100
45 HB3 ALA 7 HB3 ALA 7 3.436 9.733 1.114
46 HA PRO 8 HA PRO 8 5.051 4.650 3.935
47 HB2 PRO 8 HB2 PRO 8 3.571 2.465 3.357
48 HB3 PRO 8 HB3 PRO 8 3.139 3.581 4.649
49 HG2 PRO 8 HG2 PRO 8 1.787 3.136 2.088
50 HG3 PRO 8 HG3 PRO 8 1.209 3.997 3.519
51 HD2 PRO 8 HD2 PRO 8 2.397 5.065 1.075
52 HD3 PRO 8 HD3 PRO 8 1.560 5.920 2.391
53 H LYS 9 H LYS 9 6.858 3.893 2.951
54 HA LYS 9 HA LYS 9 6.762 3.236 0.081
55 HB2 LYS 9 HB2 LYS 9 9.116 3.672 1.934
56 HB3 LYS 9 HB3 LYS 9 9.222 3.385 0.208
57 HG2 LYS 9 HG2 LYS 9 7.924 5.780 1.510
58 HG3 LYS 9 HG3 LYS 9 9.532 5.748 0.795
59 HD2 LYS 9 HD2 LYS 9 6.947 5.237 -0.693
60 HD3 LYS 9 HD3 LYS 9 7.836 6.754 -0.690
61 HE2 LYS 9 HE2 LYS 9 8.859 4.105 -1.728
62 HE3 LYS 9 HE3 LYS 9 8.282 5.443 -2.708
63 HZ1 LYS 9 HZ1 LYS 9 10.707 5.391 -2.570
64 HZ2 LYS 9 HZ2 LYS 9 10.638 5.566 -0.900
65 HZ3 LYS 9 HZ3 LYS 9 10.085 6.803 -1.894
66 H CYS 10 H CYS 10 7.626 1.285 -0.671
67 HA CYS 10 HA CYS 10 7.894 -0.805 1.386
68 HB2 CYS 10 HB2 CYS 10 6.649 -2.312 -0.069
69 HB3 CYS 10 HB3 CYS 10 5.679 -0.932 0.426
70 H ARG 11 H ARG 11 9.114 -2.608 0.796
71 HA ARG 11 HA ARG 11 10.808 -2.361 -1.608
72 HB2 ARG 11 HB2 ARG 11 11.305 -3.966 0.910
73 HB3 ARG 11 HB3 ARG 11 12.442 -3.654 -0.388
74 HG2 ARG 11 HG2 ARG 11 12.757 -1.423 0.289
75 HG3 ARG 11 HG3 ARG 11 11.337 -1.470 1.342
76 HD2 ARG 11 HD2 ARG 11 13.882 -3.038 1.708
77 HD3 ARG 11 HD3 ARG 11 13.354 -1.656 2.674
78 HE ARG 11 HE ARG 11 11.278 -3.351 2.894
79 HH11 ARG 11 HH11 ARG 11 14.754 -3.854 3.426
80 HH12 ARG 11 HH12 ARG 11 14.510 -5.057 4.602
81 HH21 ARG 11 HH21 ARG 11 10.995 -4.956 4.488
82 HH22 ARG 11 HH22 ARG 11 12.357 -5.738 5.191
83 H ARG 12 H ARG 12 9.302 -4.496 0.738
84 HA ARG 12 HA ARG 12 8.375 -6.319 -1.366
85 HB2 ARG 12 HB2 ARG 12 8.468 -8.052 0.517
86 HB3 ARG 12 HB3 ARG 12 9.963 -7.663 -0.311
87 HG2 ARG 12 HG2 ARG 12 10.422 -6.078 1.635
88 HG3 ARG 12 HG3 ARG 12 9.039 -6.820 2.432
89 HD2 ARG 12 HD2 ARG 12 11.486 -8.321 1.472
90 HD3 ARG 12 HD3 ARG 12 11.218 -7.787 3.127
91 HE ARG 12 HE ARG 12 9.100 -9.414 2.118
92 HH11 ARG 12 HH11 ARG 12 12.360 -9.582 3.524
93 HH12 ARG 12 HH12 ARG 12 12.085 -11.101 4.253
94 HH21 ARG 12 HH21 ARG 12 8.768 -11.499 3.155
95 HH22 ARG 12 HH22 ARG 12 10.054 -12.181 4.052
96 H ASP 13 H ASP 13 6.441 -7.479 -0.835
97 HA ASP 13 HA ASP 13 4.438 -5.652 -0.193
98 HB2 ASP 13 HB2 ASP 13 4.538 -8.575 -0.677
99 HB3 ASP 13 HB3 ASP 13 3.068 -7.837 -0.088
100 H SER 14 H SER 14 6.124 -7.941 1.687
101 HA SER 14 HA SER 14 4.350 -8.145 3.870
102 HB2 SER 14 HB2 SER 14 6.476 -8.857 5.049
103 HB3 SER 14 HB3 SER 14 5.999 -9.800 3.623
104 HG SER 14 HG SER 14 8.147 -8.216 4.070
105 H ASP 15 H ASP 15 6.578 -5.700 2.888
106 HA ASP 15 HA ASP 15 6.986 -4.435 5.427
107 HB2 ASP 15 HB2 ASP 15 7.103 -3.212 2.656
108 HB3 ASP 15 HB3 ASP 15 7.625 -2.407 4.122
109 H CYS 16 H CYS 16 4.382 -4.602 3.259
110 HA CYS 16 HA CYS 16 3.196 -2.132 4.151
111 HB2 CYS 16 HB2 CYS 16 2.312 -4.169 2.125
112 HB3 CYS 16 HB3 CYS 16 1.640 -2.558 2.360
113 HA PRO 17 HA PRO 17 1.147 -4.597 7.232
114 HB2 PRO 17 HB2 PRO 17 -0.254 -2.599 8.406
115 HB3 PRO 17 HB3 PRO 17 1.472 -2.860 8.665
116 HG2 PRO 17 HG2 PRO 17 0.104 -0.854 6.936
117 HG3 PRO 17 HG3 PRO 17 1.582 -0.695 7.891
118 HD2 PRO 17 HD2 PRO 17 1.509 -1.100 5.174
119 HD3 PRO 17 HD3 PRO 17 2.884 -1.511 6.215
120 H GLY 18 H GLY 18 -0.602 -5.729 7.364
121 HA2 GLY 18 HA2 GLY 18 -2.775 -6.378 7.339
122 HA3 GLY 18 HA3 GLY 18 -3.206 -4.707 7.036
123 H ALA 19 H ALA 19 -3.935 -4.167 5.085
124 HA ALA 19 HA ALA 19 -4.136 -6.328 3.137
125 HB1 ALA 19 HB1 ALA 19 -6.256 -5.494 4.008
126 HB2 ALA 19 HB2 ALA 19 -6.089 -5.085 2.300
127 HB3 ALA 19 HB3 ALA 19 -5.818 -3.857 3.532
128 H CYS 20 H CYS 20 -2.341 -3.652 3.813
129 HA CYS 20 HA CYS 20 -2.270 -2.481 1.243
130 HB2 CYS 20 HB2 CYS 20 -0.220 -2.454 3.427
131 HB3 CYS 20 HB3 CYS 20 -0.262 -1.411 2.030
132 H ILE 21 H ILE 21 -0.959 -2.942 -0.334
133 HA ILE 21 HA ILE 21 1.022 -5.067 0.000
134 HB ILE 21 HB ILE 21 0.605 -5.695 -2.379
135 HG12 ILE 21 HG12 ILE 21 -1.831 -3.911 -2.108
136 HG13 ILE 21 HG13 ILE 21 -0.435 -3.591 -3.130
137 HG21 ILE 21 HG21 ILE 21 -1.759 -5.992 -0.535
138 HG22 ILE 21 HG22 ILE 21 -0.343 -7.042 -0.612
139 HG23 ILE 21 HG23 ILE 21 -1.461 -6.967 -1.974
140 HD11 ILE 21 HD11 ILE 21 -0.956 -5.558 -4.459
141 HD12 ILE 21 HD12 ILE 21 -2.323 -4.442 -4.406
142 HD13 ILE 21 HD13 ILE 21 -2.332 -5.905 -3.416
143 H CYS 22 H CYS 22 2.632 -4.898 -1.935
144 HA CYS 22 HA CYS 22 3.539 -2.128 -1.825
145 HB2 CYS 22 HB2 CYS 22 5.142 -3.846 -1.136
146 HB3 CYS 22 HB3 CYS 22 4.989 -4.654 -2.688
147 H ARG 23 H ARG 23 3.095 -0.822 -3.479
148 HA ARG 23 HA ARG 23 2.199 -1.987 -5.956
149 HB2 ARG 23 HB2 ARG 23 2.332 0.903 -5.110
150 HB3 ARG 23 HB3 ARG 23 1.422 0.226 -6.445
151 HG2 ARG 23 HG2 ARG 23 -0.031 -0.979 -4.940
152 HG3 ARG 23 HG3 ARG 23 0.920 -0.454 -3.557
153 HD2 ARG 23 HD2 ARG 23 -1.001 0.923 -3.603
154 HD3 ARG 23 HD3 ARG 23 0.341 1.898 -4.192
155 HE ARG 23 HE ARG 23 -0.779 0.905 -6.454
156 HH11 ARG 23 HH11 ARG 23 -1.990 2.781 -3.712
157 HH12 ARG 23 HH12 ARG 23 -3.266 3.502 -4.556
158 HH21 ARG 23 HH21 ARG 23 -2.591 1.875 -7.634
159 HH22 ARG 23 HH22 ARG 23 -3.635 2.955 -6.821
160 H GLY 24 H GLY 24 2.985 -0.943 -7.950
161 HA2 GLY 24 HA2 GLY 24 5.818 -1.340 -8.136
162 HA3 GLY 24 HA3 GLY 24 4.745 -0.914 -9.456
163 H ASN 25 H ASN 25 4.127 1.306 -7.270
164 HA ASN 25 HA ASN 25 5.966 3.204 -8.424
165 HB2 ASN 25 HB2 ASN 25 4.609 4.914 -7.145
166 HB3 ASN 25 HB3 ASN 25 3.742 4.020 -8.383
167 HD21 ASN 25 HD21 ASN 25 1.777 4.443 -7.425
168 HD22 ASN 25 HD22 ASN 25 1.273 3.715 -5.945
169 H GLY 26 H GLY 26 5.633 1.389 -5.558
170 HA2 GLY 26 HA2 GLY 26 7.675 1.085 -4.281
171 HA3 GLY 26 HA3 GLY 26 7.994 2.800 -4.503
172 H TYR 27 H TYR 27 4.793 2.381 -4.017
173 HA TYR 27 HA TYR 27 5.008 3.116 -1.205
174 HB2 TYR 27 HB2 TYR 27 3.048 3.703 -3.356
175 HB3 TYR 27 HB3 TYR 27 2.733 4.130 -1.665
176 HD1 TYR 27 HD1 TYR 27 4.122 5.956 -0.643
177 HD2 TYR 27 HD2 TYR 27 4.441 4.961 -4.755
178 HE1 TYR 27 HE1 TYR 27 5.244 8.110 -1.085
179 HE2 TYR 27 HE2 TYR 27 5.558 7.092 -5.199
180 HH TYR 27 HH TYR 27 5.725 9.295 -4.225
181 H CYS 28 H CYS 28 3.705 2.141 0.218
182 HA CYS 28 HA CYS 28 2.427 -0.364 -0.445
183 HB2 CYS 28 HB2 CYS 28 2.600 1.204 2.131
184 HB3 CYS 28 HB3 CYS 28 1.757 -0.327 1.977
185 H GLY 29 H GLY 29 0.215 -0.721 -0.401
186 HA2 GLY 29 HA2 GLY 29 -1.574 1.216 0.620
187 HA3 GLY 29 HA3 GLY 29 -1.456 1.329 -1.129
188 H GLU 30 H GLU 30 -3.658 0.576 0.644
189 HA GLU 30 HA GLU 30 -4.495 -2.011 0.451
190 HB2 GLU 30 HB2 GLU 30 -5.757 -0.333 1.561
191 HB3 GLU 30 HB3 GLU 30 -5.915 0.571 0.038
192 HG2 GLU 30 HG2 GLU 30 -8.020 -0.443 0.636
193 HG3 GLU 30 HG3 GLU 30 -7.369 -1.192 -0.817
194 H ALA 31 H ALA 31 -5.397 -3.075 -1.025
195 HA ALA 31 HA ALA 31 -4.808 -2.426 -3.814
196 HB1 ALA 31 HB1 ALA 31 -4.200 -4.681 -3.042
197 HB2 ALA 31 HB2 ALA 31 -5.355 -4.742 -4.375
198 HB3 ALA 31 HB3 ALA 31 -5.899 -5.026 -2.722
199 H ILE 32 H ILE 32 -7.565 -4.293 -2.732
200 HA ILE 32 HA ILE 32 -9.501 -2.271 -3.433
201 HB ILE 32 HB ILE 32 -9.638 -4.973 -4.611
202 HG12 ILE 32 HG12 ILE 32 -8.834 -2.485 -6.161
203 HG13 ILE 32 HG13 ILE 32 -7.781 -3.842 -5.796
204 HG21 ILE 32 HG21 ILE 32 -11.775 -3.923 -4.299
205 HG22 ILE 32 HG22 ILE 32 -11.462 -3.994 -6.033
206 HG23 ILE 32 HG23 ILE 32 -11.242 -2.477 -5.160
207 HD11 ILE 32 HD11 ILE 32 -8.509 -3.891 -8.108
208 HD12 ILE 32 HD12 ILE 32 -10.194 -3.895 -7.593
209 HD13 ILE 32 HD13 ILE 32 -9.159 -5.275 -7.229
210 H TYR 33 H TYR 33 -10.369 -2.448 -1.606
211 HA TYR 33 HA TYR 33 -11.965 -4.573 -0.679
212 HB2 TYR 33 HB2 TYR 33 -9.606 -5.540 -0.258
213 HB3 TYR 33 HB3 TYR 33 -9.467 -4.331 1.010
214 HD1 TYR 33 HD1 TYR 33 -11.023 -4.460 2.989
215 HD2 TYR 33 HD2 TYR 33 -10.824 -7.505 0.044
216 HE1 TYR 33 HE1 TYR 33 -12.118 -6.013 4.534
217 HE2 TYR 33 HE2 TYR 33 -11.922 -9.068 1.566
218 HH TYR 33 HH TYR 33 -13.492 -8.168 4.366
219 H ALA 34 H ALA 34 -9.761 -2.095 0.433
220 HA ALA 34 HA ALA 34 -9.887 -0.323 1.741
221 HB1 ALA 34 HB1 ALA 34 -12.879 -0.430 1.300
222 HB2 ALA 34 HB2 ALA 34 -11.723 0.449 0.291
223 HB3 ALA 34 HB3 ALA 34 -11.981 0.934 1.966
224 H ALA 35 H ALA 35 -9.261 -2.209 3.074
225 HA ALA 35 HA ALA 35 -11.033 -3.118 5.101
226 HB1 ALA 35 HB1 ALA 35 -8.954 -4.066 6.058
227 HB2 ALA 35 HB2 ALA 35 -8.050 -3.180 4.817
228 HB3 ALA 35 HB3 ALA 35 -9.178 -4.445 4.350
229 HA PRO 36 HA PRO 36 -11.290 0.575 7.629
230 HB2 PRO 36 HB2 PRO 36 -11.365 -1.561 9.721
231 HB3 PRO 36 HB3 PRO 36 -12.365 -0.109 9.574
232 HG2 PRO 36 HG2 PRO 36 -13.344 -2.421 8.793
233 HG3 PRO 36 HG3 PRO 36 -13.592 -0.980 7.791
234 HD2 PRO 36 HD2 PRO 36 -11.764 -3.295 7.353
235 HD3 PRO 36 HD3 PRO 36 -12.628 -2.288 6.174
236 H PHE 37 H PHE 37 -9.224 -1.973 8.960
237 HA PHE 37 HA PHE 37 -7.556 0.147 10.109
238 HB2 PHE 37 HB2 PHE 37 -8.507 -1.387 11.776
239 HB3 PHE 37 HB3 PHE 37 -7.792 -2.754 10.939
240 HD1 PHE 37 HD2 PHE 37 -6.809 0.454 12.579
241 HD2 PHE 37 HD1 PHE 37 -5.756 -3.573 11.680
242 HE1 PHE 37 HE2 PHE 37 -4.784 0.682 13.942
243 HE2 PHE 37 HE1 PHE 37 -3.726 -3.345 13.047
244 HZ PHE 37 HZ PHE 37 -3.238 -1.215 14.179
245 H ALA 38 H ALA 38 -7.616 -2.201 7.702
246 HA ALA 38 HA ALA 38 -4.749 -2.605 7.815
247 HB1 ALA 38 HB1 ALA 38 -6.743 -3.941 6.044
248 HB2 ALA 38 HB2 ALA 38 -6.208 -4.566 7.610
249 HB3 ALA 38 HB3 ALA 38 -5.069 -4.405 6.265
250 H ARG 39 H ARG 39 -6.163 -0.274 6.860
251 HA ARG 39 HA ARG 39 -5.144 -0.038 4.121
252 HB2 ARG 39 HB2 ARG 39 -6.997 1.634 5.743
253 HB3 ARG 39 HB3 ARG 39 -6.126 2.369 4.417
254 HG2 ARG 39 HG2 ARG 39 -7.161 0.935 2.826
255 HG3 ARG 39 HG3 ARG 39 -7.853 -0.072 4.102
256 HD2 ARG 39 HD2 ARG 39 -9.499 1.481 3.090
257 HD3 ARG 39 HD3 ARG 39 -9.272 1.717 4.820
258 HE ARG 39 HE ARG 39 -7.788 3.459 2.977
259 HH11 ARG 39 HH11 ARG 39 -10.526 3.087 5.185
260 HH12 ARG 39 HH12 ARG 39 -10.736 4.742 5.478
261 HH21 ARG 39 HH21 ARG 39 -8.020 5.693 3.332
262 HH22 ARG 39 HH22 ARG 39 -9.219 6.320 4.384
Start of MODEL 6
1 H1 CYS 1 H CYS 1 -3.591 1.937 2.540
2 HA CYS 1 HA CYS 1 -2.704 2.978 5.143
3 HB2 CYS 1 HB2 CYS 1 -0.452 2.008 4.531
4 HB3 CYS 1 HB3 CYS 1 -1.711 0.825 4.871
5 H GLU 2 H GLU 2 -3.798 4.537 3.228
6 HA GLU 2 HA GLU 2 -1.693 5.825 1.701
7 HB2 GLU 2 HB2 GLU 2 -4.628 6.444 2.024
8 HB3 GLU 2 HB3 GLU 2 -3.545 7.275 0.923
9 HG2 GLU 2 HG2 GLU 2 -3.199 5.272 -0.348
10 HG3 GLU 2 HG3 GLU 2 -4.114 4.342 0.838
11 H ALA 3 H ALA 3 -1.115 8.024 2.066
12 HA ALA 3 HA ALA 3 -1.968 9.381 4.390
13 HB1 ALA 3 HB1 ALA 3 0.763 8.112 4.286
14 HB2 ALA 3 HB2 ALA 3 -0.518 7.741 5.442
15 HB3 ALA 3 HB3 ALA 3 0.251 9.332 5.445
16 H ILE 4 H ILE 4 -1.349 11.413 4.222
17 HA ILE 4 HA ILE 4 0.014 12.183 1.747
18 HB ILE 4 HB ILE 4 -1.686 13.920 3.579
19 HG12 ILE 4 HG12 ILE 4 -2.399 12.669 0.917
20 HG13 ILE 4 HG13 ILE 4 -2.966 12.097 2.479
21 HG21 ILE 4 HG21 ILE 4 -0.637 14.475 0.796
22 HG22 ILE 4 HG22 ILE 4 -0.074 15.234 2.285
23 HG23 ILE 4 HG23 ILE 4 -1.719 15.525 1.715
24 HD11 ILE 4 HD11 ILE 4 -4.146 14.219 2.808
25 HD12 ILE 4 HD12 ILE 4 -4.671 13.399 1.339
26 HD13 ILE 4 HD13 ILE 4 -3.573 14.775 1.237
27 H TYR 5 H TYR 5 0.389 12.224 5.150
28 HA TYR 5 HA TYR 5 2.472 14.241 5.054
29 HB2 TYR 5 HB2 TYR 5 0.830 14.005 6.964
30 HB3 TYR 5 HB3 TYR 5 1.659 12.532 7.390
31 HD1 TYR 5 HD1 TYR 5 2.452 16.125 6.753
32 HD2 TYR 5 HD2 TYR 5 3.394 12.605 8.950
33 HE1 TYR 5 HE1 TYR 5 4.076 17.392 8.060
34 HE2 TYR 5 HE2 TYR 5 5.031 13.863 10.270
35 HH TYR 5 HH TYR 5 5.154 17.243 10.270
36 H ALA 6 H ALA 6 2.126 10.826 5.608
37 HA ALA 6 HA ALA 6 4.863 10.421 4.753
38 HB1 ALA 6 HB1 ALA 6 5.117 10.817 7.160
39 HB2 ALA 6 HB2 ALA 6 5.604 9.187 6.698
40 HB3 ALA 6 HB3 ALA 6 4.050 9.451 7.490
41 H ALA 7 H ALA 7 3.991 9.321 3.057
42 HA ALA 7 HA ALA 7 2.338 7.001 3.474
43 HB1 ALA 7 HB1 ALA 7 3.712 8.001 0.974
44 HB2 ALA 7 HB2 ALA 7 2.044 8.334 1.448
45 HB3 ALA 7 HB3 ALA 7 2.532 6.693 1.034
46 HA PRO 8 HA PRO 8 5.851 4.334 4.311
47 HB2 PRO 8 HB2 PRO 8 3.988 2.129 3.725
48 HB3 PRO 8 HB3 PRO 8 4.862 2.485 5.216
49 HG2 PRO 8 HG2 PRO 8 2.214 2.847 5.028
50 HG3 PRO 8 HG3 PRO 8 3.236 3.938 5.978
51 HD2 PRO 8 HD2 PRO 8 2.063 4.330 3.256
52 HD3 PRO 8 HD3 PRO 8 2.217 5.470 4.615
53 H LYS 9 H LYS 9 7.382 4.062 2.828
54 HA LYS 9 HA LYS 9 6.779 3.180 0.143
55 HB2 LYS 9 HB2 LYS 9 9.403 3.830 1.505
56 HB3 LYS 9 HB3 LYS 9 9.260 3.330 -0.172
57 HG2 LYS 9 HG2 LYS 9 7.887 5.322 -0.622
58 HG3 LYS 9 HG3 LYS 9 8.116 5.830 1.052
59 HD2 LYS 9 HD2 LYS 9 10.505 5.988 0.720
60 HD3 LYS 9 HD3 LYS 9 10.353 5.348 -0.916
61 HE2 LYS 9 HE2 LYS 9 8.997 7.311 -1.531
62 HE3 LYS 9 HE3 LYS 9 9.208 7.950 0.097
63 HZ1 LYS 9 HZ1 LYS 9 11.565 8.153 -0.287
64 HZ2 LYS 9 HZ2 LYS 9 10.758 8.874 -1.599
65 HZ3 LYS 9 HZ3 LYS 9 11.431 7.362 -1.768
66 H CYS 10 H CYS 10 7.164 1.171 -0.641
67 HA CYS 10 HA CYS 10 7.628 -0.865 1.408
68 HB2 CYS 10 HB2 CYS 10 6.567 -2.396 -0.210
69 HB3 CYS 10 HB3 CYS 10 5.527 -1.061 0.267
70 H ARG 11 H ARG 11 9.119 -2.471 1.162
71 HA ARG 11 HA ARG 11 10.826 -2.336 -1.216
72 HB2 ARG 11 HB2 ARG 11 11.336 -3.429 1.554
73 HB3 ARG 11 HB3 ARG 11 12.392 -3.776 0.191
74 HG2 ARG 11 HG2 ARG 11 12.828 -1.389 -0.068
75 HG3 ARG 11 HG3 ARG 11 11.776 -1.052 1.303
76 HD2 ARG 11 HD2 ARG 11 14.233 -2.788 1.446
77 HD3 ARG 11 HD3 ARG 11 14.225 -1.068 1.812
78 HE ARG 11 HE ARG 11 12.275 -2.507 3.325
79 HH11 ARG 11 HH11 ARG 11 15.686 -1.616 3.212
80 HH12 ARG 11 HH12 ARG 11 15.979 -1.830 4.868
81 HH21 ARG 11 HH21 ARG 11 12.650 -2.812 5.631
82 HH22 ARG 11 HH22 ARG 11 14.197 -2.542 6.279
83 H ARG 12 H ARG 12 8.768 -4.219 0.808
84 HA ARG 12 HA ARG 12 8.293 -6.088 -1.332
85 HB2 ARG 12 HB2 ARG 12 8.328 -7.936 0.345
86 HB3 ARG 12 HB3 ARG 12 9.900 -7.334 -0.149
87 HG2 ARG 12 HG2 ARG 12 10.002 -6.003 1.915
88 HG3 ARG 12 HG3 ARG 12 8.412 -6.606 2.372
89 HD2 ARG 12 HD2 ARG 12 9.314 -8.871 2.414
90 HD3 ARG 12 HD3 ARG 12 10.907 -8.231 2.003
91 HE ARG 12 HE ARG 12 10.686 -6.889 4.073
92 HH11 ARG 12 HH11 ARG 12 8.824 -9.857 3.797
93 HH12 ARG 12 HH12 ARG 12 9.026 -10.336 5.414
94 HH21 ARG 12 HH21 ARG 12 10.922 -7.493 6.368
95 HH22 ARG 12 HH22 ARG 12 10.239 -8.960 6.902
96 H ASP 13 H ASP 13 6.386 -7.229 -0.976
97 HA ASP 13 HA ASP 13 4.214 -5.632 -0.270
98 HB2 ASP 13 HB2 ASP 13 4.478 -8.595 -0.567
99 HB3 ASP 13 HB3 ASP 13 2.971 -7.717 -0.487
100 H SER 14 H SER 14 5.982 -8.094 1.357
101 HA SER 14 HA SER 14 4.151 -8.515 3.442
102 HB2 SER 14 HB2 SER 14 6.163 -9.740 4.373
103 HB3 SER 14 HB3 SER 14 5.382 -10.299 2.862
104 HG SER 14 HG SER 14 7.245 -10.086 1.973
105 H ASP 15 H ASP 15 6.398 -6.107 2.946
106 HA ASP 15 HA ASP 15 6.527 -5.632 5.842
107 HB2 ASP 15 HB2 ASP 15 8.275 -4.047 5.629
108 HB3 ASP 15 HB3 ASP 15 8.682 -5.345 4.532
109 H CYS 16 H CYS 16 4.420 -4.982 3.523
110 HA CYS 16 HA CYS 16 3.730 -2.349 4.460
111 HB2 CYS 16 HB2 CYS 16 2.519 -4.189 2.404
112 HB3 CYS 16 HB3 CYS 16 1.895 -2.595 2.803
113 HA PRO 17 HA PRO 17 1.011 -4.143 7.481
114 HB2 PRO 17 HB2 PRO 17 -0.177 -1.935 8.363
115 HB3 PRO 17 HB3 PRO 17 1.553 -2.197 8.628
116 HG2 PRO 17 HG2 PRO 17 0.194 -0.534 6.537
117 HG3 PRO 17 HG3 PRO 17 1.582 -0.120 7.561
118 HD2 PRO 17 HD2 PRO 17 1.821 -0.996 4.984
119 HD3 PRO 17 HD3 PRO 17 3.062 -1.257 6.228
120 H GLY 18 H GLY 18 -1.353 -3.894 8.147
121 HA2 GLY 18 HA2 GLY 18 -3.568 -4.156 7.707
122 HA3 GLY 18 HA3 GLY 18 -3.353 -2.954 6.441
123 H ALA 19 H ALA 19 -4.031 -3.642 4.589
124 HA ALA 19 HA ALA 19 -3.582 -6.445 3.832
125 HB1 ALA 19 HB1 ALA 19 -5.964 -5.945 4.119
126 HB2 ALA 19 HB2 ALA 19 -5.595 -6.222 2.417
127 HB3 ALA 19 HB3 ALA 19 -5.822 -4.579 3.013
128 H CYS 20 H CYS 20 -1.989 -3.886 3.582
129 HA CYS 20 HA CYS 20 -2.109 -3.189 0.817
130 HB2 CYS 20 HB2 CYS 20 -0.213 -2.406 2.989
131 HB3 CYS 20 HB3 CYS 20 -0.277 -1.713 1.378
132 H ILE 21 H ILE 21 -0.652 -3.500 -0.651
133 HA ILE 21 HA ILE 21 1.470 -5.450 -0.163
134 HB ILE 21 HB ILE 21 1.210 -6.111 -2.553
135 HG12 ILE 21 HG12 ILE 21 -1.309 -4.418 -2.463
136 HG13 ILE 21 HG13 ILE 21 0.147 -4.031 -3.369
137 HG21 ILE 21 HG21 ILE 21 0.178 -7.481 -0.849
138 HG22 ILE 21 HG22 ILE 21 -0.854 -7.436 -2.280
139 HG23 ILE 21 HG23 ILE 21 -1.263 -6.465 -0.866
140 HD11 ILE 21 HD11 ILE 21 -1.658 -6.395 -3.834
141 HD12 ILE 21 HD12 ILE 21 -0.192 -6.023 -4.741
142 HD13 ILE 21 HD13 ILE 21 -1.576 -4.931 -4.815
143 H CYS 22 H CYS 22 3.022 -5.107 -2.286
144 HA CYS 22 HA CYS 22 3.826 -2.330 -1.946
145 HB2 CYS 22 HB2 CYS 22 5.487 -4.162 -1.592
146 HB3 CYS 22 HB3 CYS 22 5.285 -4.624 -3.276
147 H ARG 23 H ARG 23 3.255 -0.876 -3.436
148 HA ARG 23 HA ARG 23 2.078 -1.810 -5.896
149 HB2 ARG 23 HB2 ARG 23 2.386 0.992 -4.862
150 HB3 ARG 23 HB3 ARG 23 1.249 0.419 -6.057
151 HG2 ARG 23 HG2 ARG 23 1.228 -0.465 -3.189
152 HG3 ARG 23 HG3 ARG 23 0.246 0.848 -3.817
153 HD2 ARG 23 HD2 ARG 23 0.152 -1.943 -4.952
154 HD3 ARG 23 HD3 ARG 23 -0.851 -1.447 -3.591
155 HE ARG 23 HE ARG 23 -1.384 0.442 -5.375
156 HH11 ARG 23 HH11 ARG 23 -1.174 -3.058 -5.928
157 HH12 ARG 23 HH12 ARG 23 -2.548 -3.119 -6.911
158 HH21 ARG 23 HH21 ARG 23 -3.285 0.339 -6.786
159 HH22 ARG 23 HH22 ARG 23 -3.749 -1.178 -7.428
160 H GLY 24 H GLY 24 2.679 -0.720 -7.855
161 HA2 GLY 24 HA2 GLY 24 5.494 -0.876 -8.350
162 HA3 GLY 24 HA3 GLY 24 4.265 -0.436 -9.521
163 H ASN 25 H ASN 25 3.784 1.568 -7.065
164 HA ASN 25 HA ASN 25 5.336 3.689 -8.290
165 HB2 ASN 25 HB2 ASN 25 4.027 5.212 -6.725
166 HB3 ASN 25 HB3 ASN 25 3.055 4.336 -7.895
167 HD21 ASN 25 HD21 ASN 25 1.196 4.563 -6.641
168 HD22 ASN 25 HD22 ASN 25 0.957 3.698 -5.175
169 H GLY 26 H GLY 26 5.415 1.611 -5.560
170 HA2 GLY 26 HA2 GLY 26 7.586 1.277 -4.570
171 HA3 GLY 26 HA3 GLY 26 7.843 3.016 -4.670
172 H TYR 27 H TYR 27 4.735 2.515 -3.868
173 HA TYR 27 HA TYR 27 5.268 2.901 -1.024
174 HB2 TYR 27 HB2 TYR 27 3.233 3.913 -2.920
175 HB3 TYR 27 HB3 TYR 27 3.031 4.115 -1.163
176 HD1 TYR 27 HD1 TYR 27 4.731 5.229 -4.200
177 HD2 TYR 27 HD2 TYR 27 4.580 5.655 0.023
178 HE1 TYR 27 HE1 TYR 27 6.057 7.272 -4.374
179 HE2 TYR 27 HE2 TYR 27 5.902 7.702 -0.126
180 HH TYR 27 HH TYR 27 6.508 9.235 -3.146
181 H CYS 28 H CYS 28 3.587 2.107 0.349
182 HA CYS 28 HA CYS 28 2.564 -0.444 -0.493
183 HB2 CYS 28 HB2 CYS 28 2.230 1.088 2.087
184 HB3 CYS 28 HB3 CYS 28 1.633 -0.544 1.812
185 H GLY 29 H GLY 29 0.458 -0.951 -0.896
186 HA2 GLY 29 HA2 GLY 29 -1.602 0.993 -0.391
187 HA3 GLY 29 HA3 GLY 29 -1.273 0.663 -2.094
188 H GLU 30 H GLU 30 -3.597 0.067 -0.378
189 HA GLU 30 HA GLU 30 -3.796 -2.628 0.167
190 HB2 GLU 30 HB2 GLU 30 -5.339 -1.005 0.979
191 HB3 GLU 30 HB3 GLU 30 -5.908 -0.663 -0.664
192 HG2 GLU 30 HG2 GLU 30 -6.765 -3.000 -0.732
193 HG3 GLU 30 HG3 GLU 30 -6.302 -3.168 0.963
194 H ALA 31 H ALA 31 -4.789 -4.235 -0.937
195 HA ALA 31 HA ALA 31 -4.120 -4.362 -3.726
196 HB1 ALA 31 HB1 ALA 31 -5.174 -6.418 -1.771
197 HB2 ALA 31 HB2 ALA 31 -3.488 -6.189 -2.223
198 HB3 ALA 31 HB3 ALA 31 -4.646 -6.764 -3.420
199 H ILE 32 H ILE 32 -6.272 -6.315 -4.084
200 HA ILE 32 HA ILE 32 -8.266 -4.281 -4.608
201 HB ILE 32 HB ILE 32 -8.111 -7.023 -5.843
202 HG12 ILE 32 HG12 ILE 32 -6.287 -5.583 -6.596
203 HG13 ILE 32 HG13 ILE 32 -7.412 -5.878 -7.912
204 HG21 ILE 32 HG21 ILE 32 -9.944 -4.731 -6.528
205 HG22 ILE 32 HG22 ILE 32 -10.407 -6.257 -5.775
206 HG23 ILE 32 HG23 ILE 32 -9.809 -6.238 -7.434
207 HD11 ILE 32 HD11 ILE 32 -7.204 -3.364 -6.255
208 HD12 ILE 32 HD12 ILE 32 -8.400 -3.649 -7.515
209 HD13 ILE 32 HD13 ILE 32 -6.689 -3.572 -7.930
210 H TYR 33 H TYR 33 -10.216 -4.375 -3.964
211 HA TYR 33 HA TYR 33 -11.621 -6.454 -2.718
212 HB2 TYR 33 HB2 TYR 33 -9.800 -5.672 -0.957
213 HB3 TYR 33 HB3 TYR 33 -10.762 -4.211 -0.850
214 HD1 TYR 33 HD2 TYR 33 -10.953 -7.902 -0.421
215 HD2 TYR 33 HD1 TYR 33 -12.569 -4.132 0.652
216 HE1 TYR 33 HE2 TYR 33 -12.309 -8.986 1.310
217 HE2 TYR 33 HE1 TYR 33 -13.926 -5.193 2.396
218 HH TYR 33 HH TYR 33 -14.862 -7.447 2.923
219 H ALA 34 H ALA 34 -13.806 -5.484 -2.316
220 HA ALA 34 HA ALA 34 -14.222 -3.294 -4.117
221 HB1 ALA 34 HB1 ALA 34 -16.256 -4.640 -2.334
222 HB2 ALA 34 HB2 ALA 34 -15.841 -5.158 -3.965
223 HB3 ALA 34 HB3 ALA 34 -16.600 -3.588 -3.703
224 H ALA 35 H ALA 35 -14.974 -3.746 -0.723
225 HA ALA 35 HA ALA 35 -15.294 -0.918 -0.272
226 HB1 ALA 35 HB1 ALA 35 -16.632 -2.543 0.972
227 HB2 ALA 35 HB2 ALA 35 -15.621 -1.603 2.073
228 HB3 ALA 35 HB3 ALA 35 -15.164 -3.251 1.645
229 HA PRO 36 HA PRO 36 -10.970 -0.343 0.974
230 HB2 PRO 36 HB2 PRO 36 -11.867 1.532 3.055
231 HB3 PRO 36 HB3 PRO 36 -10.877 1.868 1.633
232 HG2 PRO 36 HG2 PRO 36 -13.407 2.772 1.845
233 HG3 PRO 36 HG3 PRO 36 -12.705 2.287 0.292
234 HD2 PRO 36 HD2 PRO 36 -14.581 0.779 2.074
235 HD3 PRO 36 HD3 PRO 36 -14.575 0.927 0.301
236 H PHE 37 H PHE 37 -9.872 -1.693 2.394
237 HA PHE 37 HA PHE 37 -11.426 -2.569 4.707
238 HB2 PHE 37 HB2 PHE 37 -11.108 -4.342 3.032
239 HB3 PHE 37 HB3 PHE 37 -9.368 -4.107 3.106
240 HD1 PHE 37 HD2 PHE 37 -12.306 -5.099 5.152
241 HD2 PHE 37 HD1 PHE 37 -8.083 -5.285 4.658
242 HE1 PHE 37 HE2 PHE 37 -12.173 -6.745 6.965
243 HE2 PHE 37 HE1 PHE 37 -7.939 -6.934 6.477
244 HZ PHE 37 HZ PHE 37 -9.978 -7.668 7.634
245 H ALA 38 H ALA 38 -8.202 -1.922 3.500
246 HA ALA 38 HA ALA 38 -7.482 -0.784 6.023
247 HB1 ALA 38 HB1 ALA 38 -5.945 -3.175 5.002
248 HB2 ALA 38 HB2 ALA 38 -7.008 -3.175 6.404
249 HB3 ALA 38 HB3 ALA 38 -5.539 -2.194 6.415
250 H ARG 39 H ARG 39 -7.506 0.942 4.540
251 HA ARG 39 HA ARG 39 -5.562 1.053 2.429
252 HB2 ARG 39 HB2 ARG 39 -6.988 3.356 3.744
253 HB3 ARG 39 HB3 ARG 39 -6.243 3.334 2.163
254 HG2 ARG 39 HG2 ARG 39 -8.675 1.735 2.937
255 HG3 ARG 39 HG3 ARG 39 -8.694 3.238 2.023
256 HD2 ARG 39 HD2 ARG 39 -7.322 0.694 1.162
257 HD3 ARG 39 HD3 ARG 39 -8.905 1.222 0.611
258 HE ARG 39 HE ARG 39 -6.998 3.253 0.113
259 HH11 ARG 39 HH11 ARG 39 -7.948 0.030 -1.098
260 HH12 ARG 39 HH12 ARG 39 -7.422 0.355 -2.681
261 HH21 ARG 39 HH21 ARG 39 -6.328 3.670 -1.992
262 HH22 ARG 39 HH22 ARG 39 -6.452 2.486 -3.220
Start of MODEL 7
1 H1 CYS 1 H CYS 1 -6.146 1.500 4.188
2 HA CYS 1 HA CYS 1 -4.117 1.566 6.286
3 HB2 CYS 1 HB2 CYS 1 -4.663 -0.642 5.606
4 HB3 CYS 1 HB3 CYS 1 -4.550 -0.236 3.902
5 H GLU 2 H GLU 2 -4.835 3.280 3.830
6 HA GLU 2 HA GLU 2 -2.067 3.760 2.954
7 HB2 GLU 2 HB2 GLU 2 -4.630 4.370 1.537
8 HB3 GLU 2 HB3 GLU 2 -3.101 5.088 1.065
9 HG2 GLU 2 HG2 GLU 2 -2.198 2.808 0.761
10 HG3 GLU 2 HG3 GLU 2 -3.815 2.176 1.074
11 H ALA 3 H ALA 3 -1.551 5.991 2.327
12 HA ALA 3 HA ALA 3 -2.820 8.067 3.838
13 HB1 ALA 3 HB1 ALA 3 -1.215 7.156 5.437
14 HB2 ALA 3 HB2 ALA 3 -0.631 8.709 4.828
15 HB3 ALA 3 HB3 ALA 3 0.057 7.207 4.218
16 H ILE 4 H ILE 4 -2.805 9.752 2.539
17 HA ILE 4 HA ILE 4 -1.284 9.565 0.056
18 HB ILE 4 HB ILE 4 -3.554 11.467 0.760
19 HG12 ILE 4 HG12 ILE 4 -3.579 8.996 -0.981
20 HG13 ILE 4 HG13 ILE 4 -4.203 9.055 0.659
21 HG21 ILE 4 HG21 ILE 4 -2.093 12.372 -0.987
22 HG22 ILE 4 HG22 ILE 4 -3.665 11.915 -1.652
23 HG23 ILE 4 HG23 ILE 4 -2.262 10.876 -1.911
24 HD11 ILE 4 HD11 ILE 4 -5.874 10.702 -0.058
25 HD12 ILE 4 HD12 ILE 4 -5.992 9.203 -0.982
26 HD13 ILE 4 HD13 ILE 4 -5.233 10.626 -1.698
27 H TYR 5 H TYR 5 -1.293 11.408 2.942
28 HA TYR 5 HA TYR 5 0.214 13.585 1.734
29 HB2 TYR 5 HB2 TYR 5 -1.410 14.041 3.538
30 HB3 TYR 5 HB3 TYR 5 -0.461 13.050 4.622
31 HD1 TYR 5 HD2 TYR 5 -0.094 16.054 2.453
32 HD2 TYR 5 HD1 TYR 5 1.160 14.027 5.972
33 HE1 TYR 5 HE2 TYR 5 1.289 17.966 3.054
34 HE2 TYR 5 HE1 TYR 5 2.553 15.934 6.586
35 HH TYR 5 HH TYR 5 3.653 17.850 5.460
36 H ALA 6 H ALA 6 0.646 11.016 3.970
37 HA ALA 6 HA ALA 6 3.540 11.210 3.539
38 HB1 ALA 6 HB1 ALA 6 2.175 10.223 6.054
39 HB2 ALA 6 HB2 ALA 6 2.980 11.781 5.872
40 HB3 ALA 6 HB3 ALA 6 3.917 10.290 5.780
41 H ALA 7 H ALA 7 3.345 9.904 1.761
42 HA ALA 7 HA ALA 7 1.981 7.462 1.719
43 HB1 ALA 7 HB1 ALA 7 3.143 7.064 -0.387
44 HB2 ALA 7 HB2 ALA 7 4.252 8.387 -0.033
45 HB3 ALA 7 HB3 ALA 7 2.541 8.719 -0.300
46 HA PRO 8 HA PRO 8 5.100 5.046 3.920
47 HB2 PRO 8 HB2 PRO 8 3.405 2.733 3.388
48 HB3 PRO 8 HB3 PRO 8 3.748 3.500 4.937
49 HG2 PRO 8 HG2 PRO 8 1.301 3.585 3.748
50 HG3 PRO 8 HG3 PRO 8 1.906 4.854 4.826
51 HD2 PRO 8 HD2 PRO 8 1.779 4.803 1.840
52 HD3 PRO 8 HD3 PRO 8 1.459 6.129 2.985
53 H LYS 9 H LYS 9 6.833 4.194 2.969
54 HA LYS 9 HA LYS 9 6.591 3.272 0.200
55 HB2 LYS 9 HB2 LYS 9 9.076 3.452 0.163
56 HB3 LYS 9 HB3 LYS 9 8.254 4.973 0.469
57 HG2 LYS 9 HG2 LYS 9 8.756 4.765 2.845
58 HG3 LYS 9 HG3 LYS 9 9.568 3.228 2.543
59 HD2 LYS 9 HD2 LYS 9 11.199 4.354 1.129
60 HD3 LYS 9 HD3 LYS 9 10.358 5.886 1.363
61 HE2 LYS 9 HE2 LYS 9 11.658 4.243 3.524
62 HE3 LYS 9 HE3 LYS 9 12.327 5.704 2.802
63 HZ1 LYS 9 HZ1 LYS 9 10.390 6.931 3.654
64 HZ2 LYS 9 HZ2 LYS 9 11.265 6.205 4.883
65 HZ3 LYS 9 HZ3 LYS 9 9.815 5.529 4.399
66 H CYS 10 H CYS 10 7.737 1.349 -0.483
67 HA CYS 10 HA CYS 10 8.181 -0.619 1.643
68 HB2 CYS 10 HB2 CYS 10 6.808 -2.229 0.338
69 HB3 CYS 10 HB3 CYS 10 5.882 -0.913 1.057
70 H ARG 11 H ARG 11 9.390 -2.448 0.930
71 HA ARG 11 HA ARG 11 10.797 -2.093 -1.630
72 HB2 ARG 11 HB2 ARG 11 11.524 -3.640 0.866
73 HB3 ARG 11 HB3 ARG 11 12.483 -3.598 -0.600
74 HG2 ARG 11 HG2 ARG 11 12.969 -1.274 -0.281
75 HG3 ARG 11 HG3 ARG 11 11.844 -1.193 1.081
76 HD2 ARG 11 HD2 ARG 11 13.183 -2.755 2.322
77 HD3 ARG 11 HD3 ARG 11 14.276 -2.943 0.958
78 HE ARG 11 HE ARG 11 14.722 -0.491 1.286
79 HH11 ARG 11 HH11 ARG 11 13.675 -2.491 4.017
80 HH12 ARG 11 HH12 ARG 11 14.683 -1.732 5.150
81 HH21 ARG 11 HH21 ARG 11 16.102 0.571 2.847
82 HH22 ARG 11 HH22 ARG 11 16.109 0.055 4.469
83 H ARG 12 H ARG 12 9.250 -4.232 0.608
84 HA ARG 12 HA ARG 12 8.507 -6.136 -1.505
85 HB2 ARG 12 HB2 ARG 12 8.604 -7.828 0.366
86 HB3 ARG 12 HB3 ARG 12 10.149 -7.285 -0.264
87 HG2 ARG 12 HG2 ARG 12 10.215 -5.634 1.635
88 HG3 ARG 12 HG3 ARG 12 8.770 -6.399 2.264
89 HD2 ARG 12 HD2 ARG 12 10.002 -8.473 2.565
90 HD3 ARG 12 HD3 ARG 12 11.447 -7.716 1.876
91 HE ARG 12 HE ARG 12 10.492 -6.115 3.954
92 HH11 ARG 12 HH11 ARG 12 12.065 -9.271 3.558
93 HH12 ARG 12 HH12 ARG 12 12.854 -9.233 5.062
94 HH21 ARG 12 HH21 ARG 12 11.620 -6.065 6.044
95 HH22 ARG 12 HH22 ARG 12 12.590 -7.378 6.491
96 H ASP 13 H ASP 13 6.612 -7.245 -1.024
97 HA ASP 13 HA ASP 13 4.510 -5.517 -0.390
98 HB2 ASP 13 HB2 ASP 13 4.715 -8.460 -0.837
99 HB3 ASP 13 HB3 ASP 13 3.198 -7.660 -0.481
100 H SER 14 H SER 14 6.190 -7.921 1.368
101 HA SER 14 HA SER 14 4.426 -8.217 3.514
102 HB2 SER 14 HB2 SER 14 6.552 -9.055 4.631
103 HB3 SER 14 HB3 SER 14 5.966 -9.899 3.179
104 HG SER 14 HG SER 14 8.295 -9.011 3.563
105 H ASP 15 H ASP 15 6.679 -5.716 2.748
106 HA ASP 15 HA ASP 15 7.137 -4.717 5.394
107 HB2 ASP 15 HB2 ASP 15 7.118 -3.120 2.804
108 HB3 ASP 15 HB3 ASP 15 7.615 -2.480 4.353
109 H CYS 16 H CYS 16 4.502 -4.489 3.160
110 HA CYS 16 HA CYS 16 3.306 -2.273 4.557
111 HB2 CYS 16 HB2 CYS 16 2.322 -3.904 2.225
112 HB3 CYS 16 HB3 CYS 16 1.699 -2.355 2.782
113 HA PRO 17 HA PRO 17 1.076 -5.376 6.904
114 HB2 PRO 17 HB2 PRO 17 0.132 -3.779 8.809
115 HB3 PRO 17 HB3 PRO 17 1.856 -4.157 8.719
116 HG2 PRO 17 HG2 PRO 17 0.417 -1.681 7.874
117 HG3 PRO 17 HG3 PRO 17 2.001 -1.847 8.648
118 HD2 PRO 17 HD2 PRO 17 1.565 -1.474 5.919
119 HD3 PRO 17 HD3 PRO 17 3.059 -2.090 6.653
120 H GLY 18 H GLY 18 -1.218 -5.334 7.954
121 HA2 GLY 18 HA2 GLY 18 -3.466 -5.340 7.681
122 HA3 GLY 18 HA3 GLY 18 -3.287 -3.745 6.963
123 H ALA 19 H ALA 19 -4.458 -3.786 5.191
124 HA ALA 19 HA ALA 19 -4.403 -6.124 3.461
125 HB1 ALA 19 HB1 ALA 19 -6.086 -3.623 3.319
126 HB2 ALA 19 HB2 ALA 19 -6.576 -5.157 4.037
127 HB3 ALA 19 HB3 ALA 19 -6.270 -5.053 2.303
128 H CYS 20 H CYS 20 -2.273 -3.763 3.813
129 HA CYS 20 HA CYS 20 -2.248 -2.772 1.135
130 HB2 CYS 20 HB2 CYS 20 -0.461 -2.323 3.489
131 HB3 CYS 20 HB3 CYS 20 -0.133 -1.689 1.888
132 H ILE 21 H ILE 21 -0.713 -3.023 -0.271
133 HA ILE 21 HA ILE 21 1.245 -5.132 0.084
134 HB ILE 21 HB ILE 21 0.895 -5.699 -2.370
135 HG12 ILE 21 HG12 ILE 21 -1.524 -5.357 -3.195
136 HG13 ILE 21 HG13 ILE 21 -1.666 -4.131 -1.951
137 HG21 ILE 21 HG21 ILE 21 0.237 -7.243 -0.679
138 HG22 ILE 21 HG22 ILE 21 -0.992 -7.237 -1.946
139 HG23 ILE 21 HG23 ILE 21 -1.284 -6.391 -0.429
140 HD11 ILE 21 HD11 ILE 21 0.129 -2.852 -3.034
141 HD12 ILE 21 HD12 ILE 21 -1.232 -3.134 -4.118
142 HD13 ILE 21 HD13 ILE 21 0.243 -4.088 -4.287
143 H CYS 22 H CYS 22 2.808 -4.856 -2.020
144 HA CYS 22 HA CYS 22 3.576 -2.058 -1.732
145 HB2 CYS 22 HB2 CYS 22 5.222 -3.813 -1.085
146 HB3 CYS 22 HB3 CYS 22 5.221 -4.391 -2.752
147 H ARG 23 H ARG 23 2.877 -0.788 -3.334
148 HA ARG 23 HA ARG 23 1.985 -1.876 -5.792
149 HB2 ARG 23 HB2 ARG 23 2.353 0.963 -4.885
150 HB3 ARG 23 HB3 ARG 23 1.583 0.461 -6.378
151 HG2 ARG 23 HG2 ARG 23 -0.125 -0.709 -5.122
152 HG3 ARG 23 HG3 ARG 23 0.649 -0.217 -3.622
153 HD2 ARG 23 HD2 ARG 23 -0.331 1.724 -5.695
154 HD3 ARG 23 HD3 ARG 23 -1.278 1.243 -4.293
155 HE ARG 23 HE ARG 23 1.388 2.345 -3.860
156 HH11 ARG 23 HH11 ARG 23 -2.099 2.848 -3.801
157 HH12 ARG 23 HH12 ARG 23 -2.099 4.092 -2.656
158 HH21 ARG 23 HH21 ARG 23 1.457 4.229 -2.355
159 HH22 ARG 23 HH22 ARG 23 0.007 4.958 -1.878
160 H GLY 24 H GLY 24 2.643 -0.743 -7.842
161 HA2 GLY 24 HA2 GLY 24 5.322 -1.424 -8.433
162 HA3 GLY 24 HA3 GLY 24 4.192 -0.630 -9.517
163 H ASN 25 H ASN 25 3.965 1.417 -7.246
164 HA ASN 25 HA ASN 25 6.106 3.109 -8.213
165 HB2 ASN 25 HB2 ASN 25 4.956 4.905 -6.845
166 HB3 ASN 25 HB3 ASN 25 4.010 4.208 -8.147
167 HD21 ASN 25 HD21 ASN 25 2.130 4.859 -7.232
168 HD22 ASN 25 HD22 ASN 25 1.390 4.136 -5.869
169 H GLY 26 H GLY 26 5.515 1.151 -5.500
170 HA2 GLY 26 HA2 GLY 26 7.353 0.501 -4.127
171 HA3 GLY 26 HA3 GLY 26 8.087 2.075 -4.429
172 H TYR 27 H TYR 27 4.792 2.153 -3.861
173 HA TYR 27 HA TYR 27 5.192 2.843 -1.070
174 HB2 TYR 27 HB2 TYR 27 3.459 3.918 -3.217
175 HB3 TYR 27 HB3 TYR 27 3.221 4.387 -1.512
176 HD1 TYR 27 HD2 TYR 27 5.551 5.220 -0.420
177 HD2 TYR 27 HD1 TYR 27 4.651 5.331 -4.570
178 HE1 TYR 27 HE2 TYR 27 7.285 6.909 -0.746
179 HE2 TYR 27 HE1 TYR 27 6.398 7.019 -4.911
180 HH TYR 27 HH TYR 27 8.766 7.613 -2.684
181 H CYS 28 H CYS 28 3.605 2.170 0.318
182 HA CYS 28 HA CYS 28 2.335 -0.290 -0.320
183 HB2 CYS 28 HB2 CYS 28 2.087 1.490 2.103
184 HB3 CYS 28 HB3 CYS 28 1.410 -0.128 1.973
185 H GLY 29 H GLY 29 0.390 -0.657 -1.045
186 HA2 GLY 29 HA2 GLY 29 -1.613 1.483 -0.885
187 HA3 GLY 29 HA3 GLY 29 -1.320 0.619 -2.392
188 H GLU 30 H GLU 30 -3.772 0.712 -0.912
189 HA GLU 30 HA GLU 30 -3.904 -1.735 0.459
190 HB2 GLU 30 HB2 GLU 30 -5.158 0.347 1.090
191 HB3 GLU 30 HB3 GLU 30 -6.186 0.104 -0.312
192 HG2 GLU 30 HG2 GLU 30 -7.179 -1.806 0.645
193 HG3 GLU 30 HG3 GLU 30 -5.913 -1.943 1.874
194 H ALA 31 H ALA 31 -6.157 -2.982 -0.297
195 HA ALA 31 HA ALA 31 -5.215 -4.436 -2.518
196 HB1 ALA 31 HB1 ALA 31 -6.334 -5.470 -0.603
197 HB2 ALA 31 HB2 ALA 31 -7.107 -5.886 -2.136
198 HB3 ALA 31 HB3 ALA 31 -7.834 -4.679 -1.075
199 H ILE 32 H ILE 32 -8.461 -3.086 -2.110
200 HA ILE 32 HA ILE 32 -8.332 -2.215 -4.854
201 HB ILE 32 HB ILE 32 -10.643 -3.819 -3.711
202 HG12 ILE 32 HG12 ILE 32 -8.664 -4.643 -5.856
203 HG13 ILE 32 HG13 ILE 32 -8.693 -5.258 -4.208
204 HG21 ILE 32 HG21 ILE 32 -10.271 -2.758 -6.496
205 HG22 ILE 32 HG22 ILE 32 -11.436 -2.181 -5.301
206 HG23 ILE 32 HG23 ILE 32 -11.591 -3.807 -5.976
207 HD11 ILE 32 HD11 ILE 32 -10.862 -5.614 -6.260
208 HD12 ILE 32 HD12 ILE 32 -10.874 -6.267 -4.622
209 HD13 ILE 32 HD13 ILE 32 -9.675 -6.826 -5.789
210 H TYR 33 H TYR 33 -9.752 -0.383 -5.183
211 HA TYR 33 HA TYR 33 -10.708 0.812 -2.723
212 HB2 TYR 33 HB2 TYR 33 -10.533 1.982 -5.510
213 HB3 TYR 33 HB3 TYR 33 -10.921 2.841 -4.030
214 HD1 TYR 33 HD1 TYR 33 -9.031 2.682 -2.156
215 HD2 TYR 33 HD2 TYR 33 -8.395 2.088 -6.305
216 HE1 TYR 33 HE1 TYR 33 -6.637 3.188 -1.864
217 HE2 TYR 33 HE2 TYR 33 -6.014 2.592 -6.029
218 HH TYR 33 HH TYR 33 -4.596 2.855 -2.861
219 H ALA 34 H ALA 34 -12.542 -0.328 -2.359
220 HA ALA 34 HA ALA 34 -14.871 0.327 -3.832
221 HB1 ALA 34 HB1 ALA 34 -14.076 -1.409 -5.352
222 HB2 ALA 34 HB2 ALA 34 -15.506 -1.989 -4.494
223 HB3 ALA 34 HB3 ALA 34 -13.895 -2.530 -4.010
224 H ALA 35 H ALA 35 -14.320 -2.728 -2.139
225 HA ALA 35 HA ALA 35 -15.949 -1.704 -0.064
226 HB1 ALA 35 HB1 ALA 35 -15.938 -3.918 1.034
227 HB2 ALA 35 HB2 ALA 35 -14.745 -4.518 -0.117
228 HB3 ALA 35 HB3 ALA 35 -16.349 -4.065 -0.660
229 HA PRO 36 HA PRO 36 -11.783 -1.568 2.314
230 HB2 PRO 36 HB2 PRO 36 -9.926 -1.540 0.009
231 HB3 PRO 36 HB3 PRO 36 -9.764 -2.403 1.539
232 HG2 PRO 36 HG2 PRO 36 -10.301 -3.651 -0.795
233 HG3 PRO 36 HG3 PRO 36 -10.892 -4.242 0.769
234 HD2 PRO 36 HD2 PRO 36 -12.481 -2.736 -1.347
235 HD3 PRO 36 HD3 PRO 36 -12.971 -3.995 -0.232
236 H PHE 37 H PHE 37 -11.032 0.562 2.621
237 HA PHE 37 HA PHE 37 -11.971 2.425 0.561
238 HB2 PHE 37 HB2 PHE 37 -13.513 2.124 2.485
239 HB3 PHE 37 HB3 PHE 37 -12.254 2.688 3.562
240 HD1 PHE 37 HD1 PHE 37 -14.090 3.781 0.505
241 HD2 PHE 37 HD2 PHE 37 -12.335 4.875 4.222
242 HE1 PHE 37 HE1 PHE 37 -14.924 6.076 0.225
243 HE2 PHE 37 HE2 PHE 37 -13.154 7.162 3.944
244 HZ PHE 37 HZ PHE 37 -14.449 7.771 1.950
245 H ALA 38 H ALA 38 -9.192 1.419 1.263
246 HA ALA 38 HA ALA 38 -7.082 2.199 1.160
247 HB1 ALA 38 HB1 ALA 38 -7.999 3.814 -0.517
248 HB2 ALA 38 HB2 ALA 38 -6.624 4.448 0.385
249 HB3 ALA 38 HB3 ALA 38 -8.258 4.965 0.795
250 H ARG 39 H ARG 39 -8.188 1.749 3.532
251 HA ARG 39 HA ARG 39 -7.853 3.957 5.349
252 HB2 ARG 39 HB2 ARG 39 -8.452 1.076 5.834
253 HB3 ARG 39 HB3 ARG 39 -8.479 2.326 7.072
254 HG2 ARG 39 HG2 ARG 39 -10.333 3.422 5.996
255 HG3 ARG 39 HG3 ARG 39 -10.238 2.314 4.629
256 HD2 ARG 39 HD2 ARG 39 -10.795 0.441 6.132
257 HD3 ARG 39 HD3 ARG 39 -10.893 1.571 7.472
258 HE ARG 39 HE ARG 39 -12.738 2.617 6.396
259 HH11 ARG 39 HH11 ARG 39 -11.891 -0.565 5.053
260 HH12 ARG 39 HH12 ARG 39 -13.464 -0.925 4.546
261 HH21 ARG 39 HH21 ARG 39 -14.913 2.116 5.650
262 HH22 ARG 39 HH22 ARG 39 -15.208 0.636 4.853
Start of MODEL 8
1 H1 CYS 1 H CYS 1 -3.957 2.382 3.371
2 HA CYS 1 HA CYS 1 -2.534 2.704 5.957
3 HB2 CYS 1 HB2 CYS 1 -0.920 1.003 5.200
4 HB3 CYS 1 HB3 CYS 1 -2.553 0.336 5.272
5 H GLU 2 H GLU 2 -3.194 4.292 3.506
6 HA GLU 2 HA GLU 2 -0.547 4.816 2.404
7 HB2 GLU 2 HB2 GLU 2 -3.234 5.881 1.568
8 HB3 GLU 2 HB3 GLU 2 -1.710 6.123 0.727
9 HG2 GLU 2 HG2 GLU 2 -1.599 3.708 0.296
10 HG3 GLU 2 HG3 GLU 2 -3.159 3.511 1.099
11 H ALA 3 H ALA 3 -0.141 7.251 1.947
12 HA ALA 3 HA ALA 3 -1.211 9.175 3.631
13 HB1 ALA 3 HB1 ALA 3 1.531 8.082 4.313
14 HB2 ALA 3 HB2 ALA 3 0.108 7.992 5.344
15 HB3 ALA 3 HB3 ALA 3 0.835 9.556 4.978
16 H ILE 4 H ILE 4 -0.491 11.105 2.895
17 HA ILE 4 HA ILE 4 1.178 10.992 0.489
18 HB ILE 4 HB ILE 4 -0.813 13.156 1.293
19 HG12 ILE 4 HG12 ILE 4 -1.064 10.969 -0.794
20 HG13 ILE 4 HG13 ILE 4 -1.890 10.991 0.758
21 HG21 ILE 4 HG21 ILE 4 0.668 12.743 -1.316
22 HG22 ILE 4 HG22 ILE 4 0.983 14.020 -0.143
23 HG23 ILE 4 HG23 ILE 4 -0.553 13.980 -1.010
24 HD11 ILE 4 HD11 ILE 4 -2.268 12.973 -1.479
25 HD12 ILE 4 HD12 ILE 4 -3.111 12.995 0.070
26 HD13 ILE 4 HD13 ILE 4 -3.366 11.661 -1.054
27 H TYR 5 H TYR 5 1.059 12.243 3.677
28 HA TYR 5 HA TYR 5 3.117 14.242 3.178
29 HB2 TYR 5 HB2 TYR 5 1.281 14.586 4.878
30 HB3 TYR 5 HB3 TYR 5 1.977 13.272 5.807
31 HD1 TYR 5 HD1 TYR 5 2.550 16.704 4.626
32 HD2 TYR 5 HD2 TYR 5 3.930 13.597 7.176
33 HE1 TYR 5 HE1 TYR 5 4.034 18.285 5.739
34 HE2 TYR 5 HE2 TYR 5 5.427 15.180 8.303
35 HH TYR 5 HH TYR 5 5.132 18.521 7.876
36 H ALA 6 H ALA 6 2.676 11.216 4.811
37 HA ALA 6 HA ALA 6 5.579 10.823 4.690
38 HB1 ALA 6 HB1 ALA 6 4.860 11.039 7.028
39 HB2 ALA 6 HB2 ALA 6 5.421 9.399 6.689
40 HB3 ALA 6 HB3 ALA 6 3.693 9.738 6.793
41 H ALA 7 H ALA 7 5.159 10.044 2.609
42 HA ALA 7 HA ALA 7 3.356 7.975 2.072
43 HB1 ALA 7 HB1 ALA 7 4.190 9.500 0.354
44 HB2 ALA 7 HB2 ALA 7 4.493 7.819 -0.087
45 HB3 ALA 7 HB3 ALA 7 5.806 8.820 0.531
46 HA PRO 8 HA PRO 8 5.828 4.778 3.942
47 HB2 PRO 8 HB2 PRO 8 4.008 2.806 3.716
48 HB3 PRO 8 HB3 PRO 8 3.856 4.090 4.921
49 HG2 PRO 8 HG2 PRO 8 2.448 3.753 2.316
50 HG3 PRO 8 HG3 PRO 8 1.825 4.371 3.854
51 HD2 PRO 8 HD2 PRO 8 2.605 5.942 1.728
52 HD3 PRO 8 HD3 PRO 8 2.538 6.484 3.416
53 H LYS 9 H LYS 9 7.407 3.870 2.863
54 HA LYS 9 HA LYS 9 7.083 3.141 0.089
55 HB2 LYS 9 HB2 LYS 9 9.510 3.100 1.870
56 HB3 LYS 9 HB3 LYS 9 9.493 2.780 0.143
57 HG2 LYS 9 HG2 LYS 9 8.728 5.058 -0.269
58 HG3 LYS 9 HG3 LYS 9 8.775 5.380 1.468
59 HD2 LYS 9 HD2 LYS 9 11.154 4.873 1.500
60 HD3 LYS 9 HD3 LYS 9 11.098 4.522 -0.226
61 HE2 LYS 9 HE2 LYS 9 10.464 6.831 -0.684
62 HE3 LYS 9 HE3 LYS 9 10.488 7.176 1.048
63 HZ1 LYS 9 HZ1 LYS 9 12.553 7.870 -0.033
64 HZ2 LYS 9 HZ2 LYS 9 12.822 6.301 -0.560
65 HZ3 LYS 9 HZ3 LYS 9 12.834 6.644 1.089
66 H CYS 10 H CYS 10 7.952 1.080 -0.669
67 HA CYS 10 HA CYS 10 7.917 -1.040 1.330
68 HB2 CYS 10 HB2 CYS 10 6.518 -2.429 -0.130
69 HB3 CYS 10 HB3 CYS 10 5.669 -0.971 0.370
70 H ARG 11 H ARG 11 9.196 -2.776 0.818
71 HA ARG 11 HA ARG 11 10.823 -2.613 -1.638
72 HB2 ARG 11 HB2 ARG 11 11.375 -3.955 1.016
73 HB3 ARG 11 HB3 ARG 11 12.466 -3.924 -0.361
74 HG2 ARG 11 HG2 ARG 11 12.874 -1.623 -0.112
75 HG3 ARG 11 HG3 ARG 11 11.503 -1.439 0.988
76 HD2 ARG 11 HD2 ARG 11 14.000 -3.017 1.545
77 HD3 ARG 11 HD3 ARG 11 13.618 -1.407 2.165
78 HE ARG 11 HE ARG 11 11.507 -3.114 2.819
79 HH11 ARG 11 HH11 ARG 11 14.899 -2.583 3.702
80 HH12 ARG 11 HH12 ARG 11 14.739 -3.258 5.249
81 HH21 ARG 11 HH21 ARG 11 11.269 -3.934 4.940
82 HH22 ARG 11 HH22 ARG 11 12.639 -4.051 5.987
83 H ARG 12 H ARG 12 9.113 -4.545 0.688
84 HA ARG 12 HA ARG 12 8.288 -6.495 -1.323
85 HB2 ARG 12 HB2 ARG 12 8.361 -8.140 0.562
86 HB3 ARG 12 HB3 ARG 12 9.925 -7.705 -0.102
87 HG2 ARG 12 HG2 ARG 12 10.107 -6.059 1.819
88 HG3 ARG 12 HG3 ARG 12 8.651 -6.799 2.475
89 HD2 ARG 12 HD2 ARG 12 9.794 -8.952 2.569
90 HD3 ARG 12 HD3 ARG 12 11.245 -8.200 1.899
91 HE ARG 12 HE ARG 12 10.075 -7.276 4.424
92 HH11 ARG 12 HH11 ARG 12 12.843 -8.587 2.634
93 HH12 ARG 12 HH12 ARG 12 13.951 -8.346 3.895
94 HH21 ARG 12 HH21 ARG 12 11.601 -6.976 6.167
95 HH22 ARG 12 HH22 ARG 12 13.213 -7.455 5.977
96 H ASP 13 H ASP 13 6.375 -7.572 -0.629
97 HA ASP 13 HA ASP 13 4.420 -5.625 -0.137
98 HB2 ASP 13 HB2 ASP 13 4.397 -8.598 -0.380
99 HB3 ASP 13 HB3 ASP 13 2.952 -7.669 -0.061
100 H SER 14 H SER 14 5.991 -7.954 1.791
101 HA SER 14 HA SER 14 4.267 -7.917 4.023
102 HB2 SER 14 HB2 SER 14 6.314 -8.774 5.198
103 HB3 SER 14 HB3 SER 14 5.737 -9.724 3.809
104 HG SER 14 HG SER 14 7.784 -9.525 3.365
105 H ASP 15 H ASP 15 6.559 -5.660 2.899
106 HA ASP 15 HA ASP 15 7.148 -4.304 5.362
107 HB2 ASP 15 HB2 ASP 15 7.130 -3.251 2.523
108 HB3 ASP 15 HB3 ASP 15 7.504 -2.230 3.897
109 H CYS 16 H CYS 16 4.423 -4.452 3.322
110 HA CYS 16 HA CYS 16 3.282 -2.013 4.316
111 HB2 CYS 16 HB2 CYS 16 2.259 -4.071 2.369
112 HB3 CYS 16 HB3 CYS 16 1.559 -2.483 2.680
113 HA PRO 17 HA PRO 17 1.085 -4.361 7.385
114 HB2 PRO 17 HB2 PRO 17 -0.337 -2.403 8.459
115 HB3 PRO 17 HB3 PRO 17 1.427 -2.392 8.589
116 HG2 PRO 17 HG2 PRO 17 -0.351 -0.848 6.750
117 HG3 PRO 17 HG3 PRO 17 1.096 -0.308 7.620
118 HD2 PRO 17 HD2 PRO 17 1.057 -1.094 4.963
119 HD3 PRO 17 HD3 PRO 17 2.495 -1.085 6.002
120 H GLY 18 H GLY 18 -1.204 -4.582 8.174
121 HA2 GLY 18 HA2 GLY 18 -3.382 -5.089 7.880
122 HA3 GLY 18 HA3 GLY 18 -3.422 -3.741 6.752
123 H ALA 19 H ALA 19 -4.261 -4.332 4.940
124 HA ALA 19 HA ALA 19 -3.632 -6.991 3.841
125 HB1 ALA 19 HB1 ALA 19 -6.005 -6.617 4.298
126 HB2 ALA 19 HB2 ALA 19 -5.708 -6.786 2.567
127 HB3 ALA 19 HB3 ALA 19 -5.982 -5.189 3.265
128 H CYS 20 H CYS 20 -2.292 -4.175 3.672
129 HA CYS 20 HA CYS 20 -2.623 -3.413 0.947
130 HB2 CYS 20 HB2 CYS 20 -0.633 -2.576 3.033
131 HB3 CYS 20 HB3 CYS 20 -0.892 -1.789 1.478
132 H ILE 21 H ILE 21 -0.933 -3.323 -0.584
133 HA ILE 21 HA ILE 21 1.097 -5.414 -0.324
134 HB ILE 21 HB ILE 21 0.871 -5.814 -2.749
135 HG12 ILE 21 HG12 ILE 21 -1.582 -4.031 -2.622
136 HG13 ILE 21 HG13 ILE 21 -0.045 -3.570 -3.340
137 HG21 ILE 21 HG21 ILE 21 -0.327 -7.283 -1.245
138 HG22 ILE 21 HG22 ILE 21 -1.260 -7.039 -2.722
139 HG23 ILE 21 HG23 ILE 21 -1.713 -6.189 -1.244
140 HD11 ILE 21 HD11 ILE 21 -1.631 -4.219 -5.046
141 HD12 ILE 21 HD12 ILE 21 -1.846 -5.792 -4.271
142 HD13 ILE 21 HD13 ILE 21 -0.291 -5.363 -4.982
143 H CYS 22 H CYS 22 2.739 -4.984 -2.186
144 HA CYS 22 HA CYS 22 3.619 -2.227 -1.850
145 HB2 CYS 22 HB2 CYS 22 5.210 -4.044 -1.377
146 HB3 CYS 22 HB3 CYS 22 5.021 -4.664 -3.007
147 H ARG 23 H ARG 23 3.037 -0.765 -3.387
148 HA ARG 23 HA ARG 23 2.025 -1.696 -5.892
149 HB2 ARG 23 HB2 ARG 23 2.360 1.069 -4.782
150 HB3 ARG 23 HB3 ARG 23 1.451 0.626 -6.210
151 HG2 ARG 23 HG2 ARG 23 0.843 -0.374 -3.463
152 HG3 ARG 23 HG3 ARG 23 0.079 1.035 -4.168
153 HD2 ARG 23 HD2 ARG 23 -0.046 -1.829 -5.142
154 HD3 ARG 23 HD3 ARG 23 -1.363 -0.902 -4.434
155 HE ARG 23 HE ARG 23 -0.205 0.138 -6.888
156 HH11 ARG 23 HH11 ARG 23 -2.921 -1.531 -5.358
157 HH12 ARG 23 HH12 ARG 23 -3.853 -1.572 -6.782
158 HH21 ARG 23 HH21 ARG 23 -1.563 0.109 -8.824
159 HH22 ARG 23 HH22 ARG 23 -3.095 -0.632 -8.743
160 H GLY 24 H GLY 24 2.662 -0.454 -7.848
161 HA2 GLY 24 HA2 GLY 24 5.471 -0.845 -8.319
162 HA3 GLY 24 HA3 GLY 24 4.263 -0.377 -9.502
163 H ASN 25 H ASN 25 4.029 1.586 -6.913
164 HA ASN 25 HA ASN 25 5.618 3.668 -8.171
165 HB2 ASN 25 HB2 ASN 25 4.436 5.202 -6.496
166 HB3 ASN 25 HB3 ASN 25 3.413 4.465 -7.718
167 HD21 ASN 25 HD21 ASN 25 1.593 4.824 -6.379
168 HD22 ASN 25 HD22 ASN 25 1.285 3.817 -5.020
169 H GLY 26 H GLY 26 5.691 1.465 -5.598
170 HA2 GLY 26 HA2 GLY 26 7.779 0.988 -4.553
171 HA3 GLY 26 HA3 GLY 26 8.202 2.693 -4.707
172 H TYR 27 H TYR 27 5.015 2.194 -3.846
173 HA TYR 27 HA TYR 27 5.563 2.710 -1.043
174 HB2 TYR 27 HB2 TYR 27 3.721 3.968 -2.986
175 HB3 TYR 27 HB3 TYR 27 3.570 4.246 -1.235
176 HD1 TYR 27 HD2 TYR 27 5.747 5.226 -0.127
177 HD2 TYR 27 HD1 TYR 27 4.992 5.334 -4.298
178 HE1 TYR 27 HE2 TYR 27 7.389 7.024 -0.369
179 HE2 TYR 27 HE1 TYR 27 6.630 7.117 -4.564
180 HH TYR 27 HH TYR 27 7.636 8.832 -3.242
181 H CYS 28 H CYS 28 3.767 2.222 0.277
182 HA CYS 28 HA CYS 28 2.479 -0.256 -0.442
183 HB2 CYS 28 HB2 CYS 28 2.401 1.402 2.071
184 HB3 CYS 28 HB3 CYS 28 1.549 -0.126 1.875
185 H GLY 29 H GLY 29 0.387 -0.646 -0.818
186 HA2 GLY 29 HA2 GLY 29 -1.621 1.315 -0.348
187 HA3 GLY 29 HA3 GLY 29 -1.229 1.109 -2.055
188 H GLU 30 H GLU 30 -3.657 0.489 -1.514
189 HA GLU 30 HA GLU 30 -4.086 -2.135 -0.653
190 HB2 GLU 30 HB2 GLU 30 -5.703 -0.439 -0.315
191 HB3 GLU 30 HB3 GLU 30 -5.736 0.005 -2.008
192 HG2 GLU 30 HG2 GLU 30 -7.738 -1.059 -1.148
193 HG3 GLU 30 HG3 GLU 30 -7.054 -1.967 -2.491
194 H ALA 31 H ALA 31 -5.372 -3.604 -2.297
195 HA ALA 31 HA ALA 31 -3.712 -4.209 -4.554
196 HB1 ALA 31 HB1 ALA 31 -5.398 -5.922 -5.076
197 HB2 ALA 31 HB2 ALA 31 -6.477 -5.226 -3.866
198 HB3 ALA 31 HB3 ALA 31 -4.952 -5.963 -3.371
199 H ILE 32 H ILE 32 -6.437 -2.370 -3.946
200 HA ILE 32 HA ILE 32 -6.976 -1.771 -6.721
201 HB ILE 32 HB ILE 32 -8.246 -0.604 -4.207
202 HG12 ILE 32 HG12 ILE 32 -9.266 -2.852 -5.965
203 HG13 ILE 32 HG13 ILE 32 -8.573 -3.061 -4.362
204 HG21 ILE 32 HG21 ILE 32 -10.070 0.071 -5.701
205 HG22 ILE 32 HG22 ILE 32 -9.197 -0.602 -7.077
206 HG23 ILE 32 HG23 ILE 32 -8.536 0.781 -6.205
207 HD11 ILE 32 HD11 ILE 32 -11.104 -1.573 -5.025
208 HD12 ILE 32 HD12 ILE 32 -10.413 -1.762 -3.414
209 HD13 ILE 32 HD13 ILE 32 -10.994 -3.176 -4.296
210 H TYR 33 H TYR 33 -6.616 0.421 -7.458
211 HA TYR 33 HA TYR 33 -4.186 1.537 -7.000
212 HB2 TYR 33 HB2 TYR 33 -5.555 2.064 -8.945
213 HB3 TYR 33 HB3 TYR 33 -6.672 2.971 -7.939
214 HD1 TYR 33 HD2 TYR 33 -3.180 2.927 -9.204
215 HD2 TYR 33 HD1 TYR 33 -6.297 5.263 -7.498
216 HE1 TYR 33 HE2 TYR 33 -1.866 4.957 -9.593
217 HE2 TYR 33 HE1 TYR 33 -4.994 7.290 -7.886
218 HH TYR 33 HH TYR 33 -2.584 7.860 -8.116
219 H ALA 34 H ALA 34 -7.160 2.633 -5.443
220 HA ALA 34 HA ALA 34 -5.501 4.094 -3.508
221 HB1 ALA 34 HB1 ALA 34 -6.813 5.637 -4.890
222 HB2 ALA 34 HB2 ALA 34 -7.389 5.645 -3.223
223 HB3 ALA 34 HB3 ALA 34 -8.290 4.773 -4.463
224 H ALA 35 H ALA 35 -5.847 3.610 -1.389
225 HA ALA 35 HA ALA 35 -7.411 1.266 -0.811
226 HB1 ALA 35 HB1 ALA 35 -6.410 1.416 1.399
227 HB2 ALA 35 HB2 ALA 35 -5.780 3.019 1.015
228 HB3 ALA 35 HB3 ALA 35 -5.180 1.609 0.149
229 HA PRO 36 HA PRO 36 -10.820 3.901 0.521
230 HB2 PRO 36 HB2 PRO 36 -12.777 2.070 0.273
231 HB3 PRO 36 HB3 PRO 36 -12.086 2.911 -1.116
232 HG2 PRO 36 HG2 PRO 36 -11.615 0.136 -0.162
233 HG3 PRO 36 HG3 PRO 36 -11.656 0.765 -1.814
234 HD2 PRO 36 HD2 PRO 36 -9.343 0.220 -0.341
235 HD3 PRO 36 HD3 PRO 36 -9.435 1.228 -1.792
236 H PHE 37 H PHE 37 -10.219 0.650 1.773
237 HA PHE 37 HA PHE 37 -11.463 1.451 4.301
238 HB2 PHE 37 HB2 PHE 37 -12.823 -0.254 3.262
239 HB3 PHE 37 HB3 PHE 37 -11.426 -1.277 2.985
240 HD1 PHE 37 HD1 PHE 37 -13.462 0.245 5.703
241 HD2 PHE 37 HD2 PHE 37 -10.851 -2.918 4.544
242 HE1 PHE 37 HE1 PHE 37 -13.885 -0.892 7.838
243 HE2 PHE 37 HE2 PHE 37 -11.274 -4.053 6.685
244 HZ PHE 37 HZ PHE 37 -12.791 -3.036 8.333
245 H ALA 38 H ALA 38 -9.105 -0.735 2.878
246 HA ALA 38 HA ALA 38 -7.578 -0.867 5.318
247 HB1 ALA 38 HB1 ALA 38 -6.051 -2.284 3.985
248 HB2 ALA 38 HB2 ALA 38 -6.996 -1.924 2.542
249 HB3 ALA 38 HB3 ALA 38 -7.723 -2.834 3.863
250 H ARG 39 H ARG 39 -7.740 1.610 4.934
251 HA ARG 39 HA ARG 39 -5.866 2.797 3.159
252 HB2 ARG 39 HB2 ARG 39 -6.799 3.987 5.687
253 HB3 ARG 39 HB3 ARG 39 -6.281 4.830 4.254
254 HG2 ARG 39 HG2 ARG 39 -8.263 4.027 3.013
255 HG3 ARG 39 HG3 ARG 39 -8.857 3.270 4.490
256 HD2 ARG 39 HD2 ARG 39 -8.914 5.491 5.574
257 HD3 ARG 39 HD3 ARG 39 -8.362 6.212 4.066
258 HE ARG 39 HE ARG 39 -10.715 4.651 3.711
259 HH11 ARG 39 HH11 ARG 39 -9.619 7.831 4.833
260 HH12 ARG 39 HH12 ARG 39 -11.071 8.630 4.474
261 HH21 ARG 39 HH21 ARG 39 -12.716 5.736 3.210
262 HH22 ARG 39 HH22 ARG 39 -12.870 7.414 3.512
Start of MODEL 9
1 H1 CYS 1 H CYS 1 -3.566 1.805 1.869
2 HA CYS 1 HA CYS 1 -3.367 2.523 4.694
3 HB2 CYS 1 HB2 CYS 1 -1.169 1.835 2.715
4 HB3 CYS 1 HB3 CYS 1 -0.882 2.462 4.329
5 H GLU 2 H GLU 2 -4.422 4.472 4.310
6 HA GLU 2 HA GLU 2 -3.361 6.207 2.261
7 HB2 GLU 2 HB2 GLU 2 -5.534 6.709 4.227
8 HB3 GLU 2 HB3 GLU 2 -5.144 7.711 2.857
9 HG2 GLU 2 HG2 GLU 2 -6.171 4.889 2.677
10 HG3 GLU 2 HG3 GLU 2 -7.101 6.352 2.347
11 H ALA 3 H ALA 3 -2.021 7.579 2.630
12 HA ALA 3 HA ALA 3 -1.610 8.853 5.193
13 HB1 ALA 3 HB1 ALA 3 -0.242 6.904 5.453
14 HB2 ALA 3 HB2 ALA 3 0.833 8.280 5.139
15 HB3 ALA 3 HB3 ALA 3 0.444 7.133 3.854
16 H ILE 4 H ILE 4 -1.943 10.794 4.408
17 HA ILE 4 HA ILE 4 -0.775 11.609 1.873
18 HB ILE 4 HB ILE 4 -2.650 13.097 3.746
19 HG12 ILE 4 HG12 ILE 4 -3.733 11.099 2.928
20 HG13 ILE 4 HG13 ILE 4 -4.419 12.501 2.113
21 HG21 ILE 4 HG21 ILE 4 -1.929 13.681 0.881
22 HG22 ILE 4 HG22 ILE 4 -1.445 14.624 2.289
23 HG23 ILE 4 HG23 ILE 4 -3.147 14.536 1.829
24 HD11 ILE 4 HD11 ILE 4 -3.029 12.028 0.164
25 HD12 ILE 4 HD12 ILE 4 -4.089 10.665 0.561
26 HD13 ILE 4 HD13 ILE 4 -2.373 10.615 0.988
27 H TYR 5 H TYR 5 -0.076 11.702 5.132
28 HA TYR 5 HA TYR 5 1.519 14.115 5.010
29 HB2 TYR 5 HB2 TYR 5 0.242 13.394 7.047
30 HB3 TYR 5 HB3 TYR 5 1.371 12.059 7.199
31 HD1 TYR 5 HD2 TYR 5 1.166 15.721 7.119
32 HD2 TYR 5 HD1 TYR 5 3.454 12.347 8.271
33 HE1 TYR 5 HE2 TYR 5 2.651 17.181 8.321
34 HE2 TYR 5 HE1 TYR 5 4.987 13.783 9.499
35 HH TYR 5 HH TYR 5 4.217 16.987 10.234
36 H ALA 6 H ALA 6 1.979 10.663 5.371
37 HA ALA 6 HA ALA 6 4.538 10.796 4.037
38 HB1 ALA 6 HB1 ALA 6 5.762 9.618 5.795
39 HB2 ALA 6 HB2 ALA 6 4.332 9.658 6.828
40 HB3 ALA 6 HB3 ALA 6 5.146 11.162 6.394
41 H ALA 7 H ALA 7 3.783 9.523 2.475
42 HA ALA 7 HA ALA 7 2.179 7.236 2.985
43 HB1 ALA 7 HB1 ALA 7 3.590 8.067 0.447
44 HB2 ALA 7 HB2 ALA 7 1.945 8.512 0.907
45 HB3 ALA 7 HB3 ALA 7 2.344 6.827 0.577
46 HA PRO 8 HA PRO 8 5.480 4.580 4.101
47 HB2 PRO 8 HB2 PRO 8 4.124 2.213 3.906
48 HB3 PRO 8 HB3 PRO 8 3.977 3.320 5.275
49 HG2 PRO 8 HG2 PRO 8 2.175 2.977 2.918
50 HG3 PRO 8 HG3 PRO 8 1.753 3.224 4.622
51 HD2 PRO 8 HD2 PRO 8 1.664 5.211 2.806
52 HD3 PRO 8 HD3 PRO 8 2.098 5.496 4.504
53 H LYS 9 H LYS 9 7.043 4.311 2.749
54 HA LYS 9 HA LYS 9 6.851 3.380 0.050
55 HB2 LYS 9 HB2 LYS 9 9.145 3.655 1.999
56 HB3 LYS 9 HB3 LYS 9 9.352 3.114 0.345
57 HG2 LYS 9 HG2 LYS 9 8.134 5.770 1.041
58 HG3 LYS 9 HG3 LYS 9 9.870 5.551 0.838
59 HD2 LYS 9 HD2 LYS 9 9.423 4.647 -1.444
60 HD3 LYS 9 HD3 LYS 9 7.720 5.035 -1.218
61 HE2 LYS 9 HE2 LYS 9 8.858 6.763 -2.507
62 HE3 LYS 9 HE3 LYS 9 8.276 7.394 -0.972
63 HZ1 LYS 9 HZ1 LYS 9 10.482 7.320 -0.092
64 HZ2 LYS 9 HZ2 LYS 9 10.558 8.122 -1.562
65 HZ3 LYS 9 HZ3 LYS 9 11.077 6.525 -1.451
66 H CYS 10 H CYS 10 7.410 1.331 -0.698
67 HA CYS 10 HA CYS 10 7.381 -0.770 1.366
68 HB2 CYS 10 HB2 CYS 10 6.282 -2.194 -0.260
69 HB3 CYS 10 HB3 CYS 10 5.349 -0.727 0.002
70 H ARG 11 H ARG 11 8.784 -2.525 1.074
71 HA ARG 11 HA ARG 11 10.595 -2.314 -1.235
72 HB2 ARG 11 HB2 ARG 11 11.185 -3.575 1.460
73 HB3 ARG 11 HB3 ARG 11 12.288 -3.510 0.100
74 HG2 ARG 11 HG2 ARG 11 11.287 -1.154 1.694
75 HG3 ARG 11 HG3 ARG 11 12.901 -1.863 1.749
76 HD2 ARG 11 HD2 ARG 11 11.647 -0.550 -0.661
77 HD3 ARG 11 HD3 ARG 11 12.834 0.193 0.406
78 HE ARG 11 HE ARG 11 14.260 -1.807 -0.293
79 HH11 ARG 11 HH11 ARG 11 11.942 -0.188 -2.442
80 HH12 ARG 11 HH12 ARG 11 12.837 -0.516 -3.848
81 HH21 ARG 11 HH21 ARG 11 15.492 -2.187 -2.252
82 HH22 ARG 11 HH22 ARG 11 14.887 -1.628 -3.745
83 H ARG 12 H ARG 12 8.893 -4.394 1.005
84 HA ARG 12 HA ARG 12 8.384 -6.289 -1.148
85 HB2 ARG 12 HB2 ARG 12 8.406 -8.062 0.578
86 HB3 ARG 12 HB3 ARG 12 9.981 -7.439 0.154
87 HG2 ARG 12 HG2 ARG 12 9.967 -6.097 2.231
88 HG3 ARG 12 HG3 ARG 12 8.351 -6.699 2.591
89 HD2 ARG 12 HD2 ARG 12 9.265 -8.985 2.676
90 HD3 ARG 12 HD3 ARG 12 10.880 -8.322 2.422
91 HE ARG 12 HE ARG 12 10.227 -6.955 4.527
92 HH11 ARG 12 HH11 ARG 12 9.481 -10.372 3.965
93 HH12 ARG 12 HH12 ARG 12 9.532 -10.820 5.593
94 HH21 ARG 12 HH21 ARG 12 10.254 -7.529 6.774
95 HH22 ARG 12 HH22 ARG 12 9.954 -9.128 7.260
96 H ASP 13 H ASP 13 6.484 -7.418 -0.867
97 HA ASP 13 HA ASP 13 4.358 -5.698 -0.273
98 HB2 ASP 13 HB2 ASP 13 4.560 -8.620 -0.901
99 HB3 ASP 13 HB3 ASP 13 3.031 -7.843 -0.554
100 H SER 14 H SER 14 5.885 -8.295 1.398
101 HA SER 14 HA SER 14 3.943 -8.621 3.400
102 HB2 SER 14 HB2 SER 14 5.892 -9.784 4.530
103 HB3 SER 14 HB3 SER 14 5.275 -10.415 2.977
104 HG SER 14 HG SER 14 7.153 -10.128 2.211
105 H ASP 15 H ASP 15 6.375 -6.271 2.985
106 HA ASP 15 HA ASP 15 6.405 -5.775 5.852
107 HB2 ASP 15 HB2 ASP 15 8.242 -4.332 5.677
108 HB3 ASP 15 HB3 ASP 15 8.552 -5.513 4.433
109 H CYS 16 H CYS 16 4.368 -5.007 3.430
110 HA CYS 16 HA CYS 16 3.656 -2.437 4.537
111 HB2 CYS 16 HB2 CYS 16 2.533 -4.068 2.268
112 HB3 CYS 16 HB3 CYS 16 1.962 -2.478 2.748
113 HA PRO 17 HA PRO 17 0.779 -4.766 7.113
114 HB2 PRO 17 HB2 PRO 17 0.074 -2.768 8.745
115 HB3 PRO 17 HB3 PRO 17 1.683 -3.499 8.837
116 HG2 PRO 17 HG2 PRO 17 0.843 -0.936 7.545
117 HG3 PRO 17 HG3 PRO 17 2.279 -1.275 8.522
118 HD2 PRO 17 HD2 PRO 17 2.256 -1.204 5.772
119 HD3 PRO 17 HD3 PRO 17 3.442 -2.103 6.741
120 H GLY 18 H GLY 18 -1.561 -4.055 7.997
121 HA2 GLY 18 HA2 GLY 18 -3.738 -3.488 7.541
122 HA3 GLY 18 HA3 GLY 18 -3.110 -2.231 6.488
123 H ALA 19 H ALA 19 -2.007 -5.324 5.781
124 HA ALA 19 HA ALA 19 -2.253 -6.814 4.152
125 HB1 ALA 19 HB1 ALA 19 -5.068 -5.784 3.764
126 HB2 ALA 19 HB2 ALA 19 -4.599 -7.083 4.862
127 HB3 ALA 19 HB3 ALA 19 -4.410 -7.288 3.121
128 H CYS 20 H CYS 20 -1.807 -3.755 3.775
129 HA CYS 20 HA CYS 20 -2.301 -3.280 1.056
130 HB2 CYS 20 HB2 CYS 20 -0.298 -2.104 2.969
131 HB3 CYS 20 HB3 CYS 20 -0.644 -1.452 1.368
132 H ILE 21 H ILE 21 -0.828 -3.302 -0.623
133 HA ILE 21 HA ILE 21 1.303 -5.294 -0.350
134 HB ILE 21 HB ILE 21 1.001 -5.753 -2.736
135 HG12 ILE 21 HG12 ILE 21 -1.334 -3.818 -2.637
136 HG13 ILE 21 HG13 ILE 21 0.220 -3.473 -3.384
137 HG21 ILE 21 HG21 ILE 21 -0.269 -7.102 -1.202
138 HG22 ILE 21 HG22 ILE 21 -1.243 -6.797 -2.647
139 HG23 ILE 21 HG23 ILE 21 -1.561 -5.904 -1.162
140 HD11 ILE 21 HD11 ILE 21 -1.716 -5.616 -4.224
141 HD12 ILE 21 HD12 ILE 21 -0.158 -5.280 -4.978
142 HD13 ILE 21 HD13 ILE 21 -1.443 -4.074 -5.035
143 H CYS 22 H CYS 22 2.906 -4.905 -2.237
144 HA CYS 22 HA CYS 22 3.766 -2.135 -2.008
145 HB2 CYS 22 HB2 CYS 22 5.378 -3.884 -1.362
146 HB3 CYS 22 HB3 CYS 22 5.222 -4.622 -2.946
147 H ARG 23 H ARG 23 2.895 -0.912 -3.588
148 HA ARG 23 HA ARG 23 2.305 -2.043 -6.145
149 HB2 ARG 23 HB2 ARG 23 2.026 0.668 -4.924
150 HB3 ARG 23 HB3 ARG 23 1.572 0.309 -6.562
151 HG2 ARG 23 HG2 ARG 23 0.458 -1.249 -4.287
152 HG3 ARG 23 HG3 ARG 23 -0.252 0.282 -4.779
153 HD2 ARG 23 HD2 ARG 23 -0.354 -0.729 -7.140
154 HD3 ARG 23 HD3 ARG 23 0.054 -2.269 -6.391
155 HE ARG 23 HE ARG 23 -2.081 -1.673 -4.989
156 HH11 ARG 23 HH11 ARG 23 -1.619 -1.358 -8.486
157 HH12 ARG 23 HH12 ARG 23 -3.282 -1.401 -8.853
158 HH21 ARG 23 HH21 ARG 23 -4.319 -1.740 -5.495
159 HH22 ARG 23 HH22 ARG 23 -4.871 -1.568 -7.104
160 H GLY 24 H GLY 24 2.912 -0.605 -8.034
161 HA2 GLY 24 HA2 GLY 24 5.792 -0.767 -8.248
162 HA3 GLY 24 HA3 GLY 24 4.660 -0.410 -9.544
163 H ASN 25 H ASN 25 3.874 1.514 -7.090
164 HA ASN 25 HA ASN 25 5.230 3.789 -8.247
165 HB2 ASN 25 HB2 ASN 25 3.708 5.144 -6.893
166 HB3 ASN 25 HB3 ASN 25 2.789 3.907 -7.736
167 HD21 ASN 25 HD21 ASN 25 1.909 5.328 -5.487
168 HD22 ASN 25 HD22 ASN 25 1.673 4.213 -4.192
169 H GLY 26 H GLY 26 5.456 1.625 -5.593
170 HA2 GLY 26 HA2 GLY 26 7.610 1.395 -4.544
171 HA3 GLY 26 HA3 GLY 26 7.800 3.142 -4.652
172 H TYR 27 H TYR 27 4.696 2.333 -3.870
173 HA TYR 27 HA TYR 27 5.173 2.858 -1.045
174 HB2 TYR 27 HB2 TYR 27 3.145 3.808 -2.975
175 HB3 TYR 27 HB3 TYR 27 2.948 4.046 -1.227
176 HD1 TYR 27 HD1 TYR 27 4.620 5.590 -0.094
177 HD2 TYR 27 HD2 TYR 27 4.423 5.213 -4.315
178 HE1 TYR 27 HE1 TYR 27 5.836 7.705 -0.338
179 HE2 TYR 27 HE2 TYR 27 5.644 7.314 -4.572
180 HH TYR 27 HH TYR 27 6.026 9.324 -3.298
181 H CYS 28 H CYS 28 3.565 2.021 0.302
182 HA CYS 28 HA CYS 28 2.429 -0.482 -0.527
183 HB2 CYS 28 HB2 CYS 28 2.082 1.055 2.055
184 HB3 CYS 28 HB3 CYS 28 1.620 -0.618 1.777
185 H GLY 29 H GLY 29 0.391 -0.797 -1.176
186 HA2 GLY 29 HA2 GLY 29 -1.660 1.165 -0.580
187 HA3 GLY 29 HA3 GLY 29 -1.283 0.920 -2.289
188 H GLU 30 H GLU 30 -3.787 0.324 -1.504
189 HA GLU 30 HA GLU 30 -4.076 -2.310 -0.631
190 HB2 GLU 30 HB2 GLU 30 -5.808 -0.722 -0.341
191 HB3 GLU 30 HB3 GLU 30 -6.013 -0.487 -2.079
192 HG2 GLU 30 HG2 GLU 30 -6.843 -2.863 -2.144
193 HG3 GLU 30 HG3 GLU 30 -6.732 -2.888 -0.385
194 H ALA 31 H ALA 31 -4.984 -4.049 -1.941
195 HA ALA 31 HA ALA 31 -3.669 -4.360 -4.485
196 HB1 ALA 31 HB1 ALA 31 -4.508 -6.664 -4.302
197 HB2 ALA 31 HB2 ALA 31 -5.462 -6.210 -2.891
198 HB3 ALA 31 HB3 ALA 31 -3.701 -6.177 -2.810
199 H ILE 32 H ILE 32 -6.056 -6.129 -5.210
200 HA ILE 32 HA ILE 32 -7.648 -3.905 -6.214
201 HB ILE 32 HB ILE 32 -7.704 -6.752 -7.184
202 HG12 ILE 32 HG12 ILE 32 -6.326 -4.348 -8.416
203 HG13 ILE 32 HG13 ILE 32 -5.518 -5.705 -7.646
204 HG21 ILE 32 HG21 ILE 32 -8.932 -5.840 -9.138
205 HG22 ILE 32 HG22 ILE 32 -8.900 -4.248 -8.381
206 HG23 ILE 32 HG23 ILE 32 -9.790 -5.565 -7.618
207 HD11 ILE 32 HD11 ILE 32 -5.386 -5.867 -10.053
208 HD12 ILE 32 HD12 ILE 32 -7.146 -5.798 -10.173
209 HD13 ILE 32 HD13 ILE 32 -6.367 -7.179 -9.398
210 H TYR 33 H TYR 33 -9.645 -3.736 -5.651
211 HA TYR 33 HA TYR 33 -11.236 -5.711 -4.358
212 HB2 TYR 33 HB2 TYR 33 -9.472 -5.046 -2.596
213 HB3 TYR 33 HB3 TYR 33 -10.204 -3.459 -2.605
214 HD1 TYR 33 HD1 TYR 33 -11.185 -7.047 -2.133
215 HD2 TYR 33 HD2 TYR 33 -11.793 -2.999 -1.017
216 HE1 TYR 33 HE1 TYR 33 -12.754 -7.762 -0.379
217 HE2 TYR 33 HE2 TYR 33 -13.339 -3.686 0.702
218 HH TYR 33 HH TYR 33 -14.793 -5.555 1.208
219 H ALA 34 H ALA 34 -13.318 -4.510 -3.549
220 HA ALA 34 HA ALA 34 -13.926 -2.597 -5.610
221 HB1 ALA 34 HB1 ALA 34 -15.740 -3.747 -3.497
222 HB2 ALA 34 HB2 ALA 34 -15.510 -4.396 -5.118
223 HB3 ALA 34 HB3 ALA 34 -16.248 -2.810 -4.900
224 H ALA 35 H ALA 35 -14.992 -2.396 -2.251
225 HA ALA 35 HA ALA 35 -14.776 0.479 -2.353
226 HB1 ALA 35 HB1 ALA 35 -16.662 -0.573 -1.213
227 HB2 ALA 35 HB2 ALA 35 -15.710 0.382 -0.076
228 HB3 ALA 35 HB3 ALA 35 -15.558 -1.374 -0.096
229 HA PRO 36 HA PRO 36 -10.715 0.706 -0.517
230 HB2 PRO 36 HB2 PRO 36 -11.045 2.936 1.076
231 HB3 PRO 36 HB3 PRO 36 -10.655 2.969 -0.646
232 HG2 PRO 36 HG2 PRO 36 -13.260 3.439 0.706
233 HG3 PRO 36 HG3 PRO 36 -12.606 4.162 -0.770
234 HD2 PRO 36 HD2 PRO 36 -14.509 2.210 -0.743
235 HD3 PRO 36 HD3 PRO 36 -13.376 2.462 -2.085
236 H PHE 37 H PHE 37 -10.233 -0.823 0.937
237 HA PHE 37 HA PHE 37 -11.361 -0.526 3.617
238 HB2 PHE 37 HB2 PHE 37 -12.800 -2.117 2.469
239 HB3 PHE 37 HB3 PHE 37 -11.411 -3.108 2.066
240 HD1 PHE 37 HD2 PHE 37 -13.210 -1.712 5.013
241 HD2 PHE 37 HD1 PHE 37 -10.809 -4.866 3.460
242 HE1 PHE 37 HE2 PHE 37 -13.458 -2.943 7.128
243 HE2 PHE 37 HE1 PHE 37 -11.060 -6.096 5.570
244 HZ PHE 37 HZ PHE 37 -12.385 -5.133 7.407
245 H ALA 38 H ALA 38 -8.875 -1.990 1.613
246 HA ALA 38 HA ALA 38 -7.307 -2.491 4.053
247 HB1 ALA 38 HB1 ALA 38 -7.238 -3.903 1.379
248 HB2 ALA 38 HB2 ALA 38 -7.879 -4.559 2.885
249 HB3 ALA 38 HB3 ALA 38 -6.153 -4.229 2.727
250 H ARG 39 H ARG 39 -7.450 -0.021 3.023
251 HA ARG 39 HA ARG 39 -5.108 0.374 1.332
252 HB2 ARG 39 HB2 ARG 39 -7.385 2.174 2.091
253 HB3 ARG 39 HB3 ARG 39 -5.967 2.740 1.231
254 HG2 ARG 39 HG2 ARG 39 -6.439 1.212 -0.582
255 HG3 ARG 39 HG3 ARG 39 -7.844 0.592 0.288
256 HD2 ARG 39 HD2 ARG 39 -8.533 2.151 -1.398
257 HD3 ARG 39 HD3 ARG 39 -8.819 2.824 0.206
258 HE ARG 39 HE ARG 39 -6.560 3.996 -0.256
259 HH11 ARG 39 HH11 ARG 39 -8.965 3.277 -2.777
260 HH12 ARG 39 HH12 ARG 39 -8.711 4.722 -3.613
261 HH21 ARG 39 HH21 ARG 39 -6.269 5.995 -1.357
262 HH22 ARG 39 HH22 ARG 39 -7.114 6.318 -2.805
Start of MODEL 10
1 H1 CYS 1 H CYS 1 -6.291 1.679 2.370
2 HA CYS 1 HA CYS 1 -4.331 3.717 2.726
3 HB2 CYS 1 HB2 CYS 1 -2.502 2.200 1.609
4 HB3 CYS 1 HB3 CYS 1 -2.771 2.091 3.345
5 H GLU 2 H GLU 2 -6.102 4.426 1.510
6 HA GLU 2 HA GLU 2 -6.393 3.572 -1.255
7 HB2 GLU 2 HB2 GLU 2 -8.320 4.144 0.242
8 HB3 GLU 2 HB3 GLU 2 -7.711 5.783 0.341
9 HG2 GLU 2 HG2 GLU 2 -8.046 5.994 -2.105
10 HG3 GLU 2 HG3 GLU 2 -8.785 4.391 -2.096
11 H ALA 3 H ALA 3 -5.014 6.028 0.729
12 HA ALA 3 HA ALA 3 -4.206 7.669 -1.483
13 HB1 ALA 3 HB1 ALA 3 -4.821 8.750 0.643
14 HB2 ALA 3 HB2 ALA 3 -3.128 9.048 0.258
15 HB3 ALA 3 HB3 ALA 3 -3.556 7.844 1.474
16 H ILE 4 H ILE 4 -2.922 6.454 -2.632
17 HA ILE 4 HA ILE 4 -0.865 4.795 -1.422
18 HB ILE 4 HB ILE 4 -1.647 5.071 -4.353
19 HG12 ILE 4 HG12 ILE 4 -2.396 2.976 -2.295
20 HG13 ILE 4 HG13 ILE 4 -3.466 4.205 -2.948
21 HG21 ILE 4 HG21 ILE 4 0.642 4.226 -4.106
22 HG22 ILE 4 HG22 ILE 4 -0.433 2.949 -4.677
23 HG23 ILE 4 HG23 ILE 4 0.075 2.987 -2.987
24 HD11 ILE 4 HD11 ILE 4 -2.198 1.960 -4.501
25 HD12 ILE 4 HD12 ILE 4 -3.273 3.193 -5.157
26 HD13 ILE 4 HD13 ILE 4 -3.876 2.041 -3.963
27 H TYR 5 H TYR 5 -1.109 7.882 -2.808
28 HA TYR 5 HA TYR 5 1.721 8.021 -3.533
29 HB2 TYR 5 HB2 TYR 5 -0.280 9.233 -4.688
30 HB3 TYR 5 HB3 TYR 5 -0.159 10.359 -3.353
31 HD1 TYR 5 HD2 TYR 5 1.937 11.717 -3.043
32 HD2 TYR 5 HD1 TYR 5 1.284 9.319 -6.490
33 HE1 TYR 5 HE2 TYR 5 3.707 12.934 -4.222
34 HE2 TYR 5 HE1 TYR 5 3.051 10.529 -7.675
35 HH TYR 5 HH TYR 5 5.272 12.464 -6.134
36 H ALA 6 H ALA 6 -0.471 8.823 -1.055
37 HA ALA 6 HA ALA 6 1.565 10.235 0.529
38 HB1 ALA 6 HB1 ALA 6 -0.256 10.803 2.058
39 HB2 ALA 6 HB2 ALA 6 -1.356 9.773 1.150
40 HB3 ALA 6 HB3 ALA 6 -0.693 11.225 0.401
41 H ALA 7 H ALA 7 1.151 7.248 -0.081
42 HA ALA 7 HA ALA 7 0.865 5.981 2.495
43 HB1 ALA 7 HB1 ALA 7 1.347 3.931 1.174
44 HB2 ALA 7 HB2 ALA 7 1.621 4.959 -0.236
45 HB3 ALA 7 HB3 ALA 7 0.033 4.902 0.520
46 HA PRO 8 HA PRO 8 5.312 5.751 3.263
47 HB2 PRO 8 HB2 PRO 8 5.600 3.406 4.566
48 HB3 PRO 8 HB3 PRO 8 4.813 4.794 5.324
49 HG2 PRO 8 HG2 PRO 8 3.602 2.359 4.100
50 HG3 PRO 8 HG3 PRO 8 3.110 3.263 5.543
51 HD2 PRO 8 HD2 PRO 8 1.911 3.487 3.074
52 HD3 PRO 8 HD3 PRO 8 1.854 4.725 4.338
53 H LYS 9 H LYS 9 7.243 4.437 2.758
54 HA LYS 9 HA LYS 9 7.024 3.354 0.077
55 HB2 LYS 9 HB2 LYS 9 9.460 3.267 0.128
56 HB3 LYS 9 HB3 LYS 9 8.883 4.826 0.700
57 HG2 LYS 9 HG2 LYS 9 9.294 4.155 3.009
58 HG3 LYS 9 HG3 LYS 9 9.803 2.560 2.469
59 HD2 LYS 9 HD2 LYS 9 11.747 3.937 2.972
60 HD3 LYS 9 HD3 LYS 9 11.671 3.596 1.243
61 HE2 LYS 9 HE2 LYS 9 10.738 5.794 0.832
62 HE3 LYS 9 HE3 LYS 9 10.715 6.125 2.559
63 HZ1 LYS 9 HZ1 LYS 9 13.134 5.996 2.569
64 HZ2 LYS 9 HZ2 LYS 9 12.618 7.156 1.451
65 HZ3 LYS 9 HZ3 LYS 9 13.156 5.673 0.920
66 H CYS 10 H CYS 10 8.039 1.331 -0.577
67 HA CYS 10 HA CYS 10 8.327 -0.741 1.440
68 HB2 CYS 10 HB2 CYS 10 6.768 -2.236 0.295
69 HB3 CYS 10 HB3 CYS 10 5.946 -0.807 0.913
70 H ARG 11 H ARG 11 9.443 -2.542 0.664
71 HA ARG 11 HA ARG 11 10.498 -2.339 -2.068
72 HB2 ARG 11 HB2 ARG 11 11.656 -3.727 0.345
73 HB3 ARG 11 HB3 ARG 11 12.325 -3.811 -1.269
74 HG2 ARG 11 HG2 ARG 11 12.631 -1.329 -1.166
75 HG3 ARG 11 HG3 ARG 11 12.171 -1.421 0.537
76 HD2 ARG 11 HD2 ARG 11 14.591 -1.461 0.331
77 HD3 ARG 11 HD3 ARG 11 14.000 -3.012 0.924
78 HE ARG 11 HE ARG 11 14.101 -3.458 -1.701
79 HH11 ARG 11 HH11 ARG 11 16.533 -2.212 0.531
80 HH12 ARG 11 HH12 ARG 11 17.854 -2.672 -0.438
81 HH21 ARG 11 HH21 ARG 11 15.926 -4.137 -3.020
82 HH22 ARG 11 HH22 ARG 11 17.504 -3.787 -2.489
83 H ARG 12 H ARG 12 9.051 -4.275 0.414
84 HA ARG 12 HA ARG 12 8.102 -6.177 -1.571
85 HB2 ARG 12 HB2 ARG 12 8.406 -7.909 0.257
86 HB3 ARG 12 HB3 ARG 12 9.831 -7.482 -0.693
87 HG2 ARG 12 HG2 ARG 12 10.431 -5.953 1.201
88 HG3 ARG 12 HG3 ARG 12 9.103 -6.678 2.109
89 HD2 ARG 12 HD2 ARG 12 11.458 -8.179 0.949
90 HD3 ARG 12 HD3 ARG 12 11.280 -7.712 2.638
91 HE ARG 12 HE ARG 12 9.027 -9.141 1.996
92 HH11 ARG 12 HH11 ARG 12 12.501 -9.763 2.184
93 HH12 ARG 12 HH12 ARG 12 12.348 -11.428 2.504
94 HH21 ARG 12 HH21 ARG 12 8.792 -11.457 2.514
95 HH22 ARG 12 HH22 ARG 12 10.195 -12.398 2.719
96 H ASP 13 H ASP 13 6.318 -7.474 -0.803
97 HA ASP 13 HA ASP 13 4.229 -5.818 -0.125
98 HB2 ASP 13 HB2 ASP 13 4.549 -8.779 -0.030
99 HB3 ASP 13 HB3 ASP 13 3.043 -7.954 0.269
100 H SER 14 H SER 14 6.264 -7.815 1.761
101 HA SER 14 HA SER 14 4.708 -7.951 4.093
102 HB2 SER 14 HB2 SER 14 6.931 -8.507 5.146
103 HB3 SER 14 HB3 SER 14 6.383 -9.544 3.817
104 HG SER 14 HG SER 14 8.550 -7.949 4.017
105 H ASP 15 H ASP 15 6.842 -5.474 2.857
106 HA ASP 15 HA ASP 15 7.252 -4.040 5.287
107 HB2 ASP 15 HB2 ASP 15 7.063 -2.950 2.460
108 HB3 ASP 15 HB3 ASP 15 7.526 -1.986 3.847
109 H CYS 16 H CYS 16 4.568 -4.430 3.206
110 HA CYS 16 HA CYS 16 3.192 -2.142 4.284
111 HB2 CYS 16 HB2 CYS 16 2.483 -4.066 2.097
112 HB3 CYS 16 HB3 CYS 16 1.667 -2.547 2.471
113 HA PRO 17 HA PRO 17 1.121 -5.066 6.927
114 HB2 PRO 17 HB2 PRO 17 -0.133 -3.332 8.471
115 HB3 PRO 17 HB3 PRO 17 1.634 -3.447 8.477
116 HG2 PRO 17 HG2 PRO 17 -0.134 -1.414 7.189
117 HG3 PRO 17 HG3 PRO 17 1.426 -1.192 7.997
118 HD2 PRO 17 HD2 PRO 17 1.031 -1.389 5.239
119 HD3 PRO 17 HD3 PRO 17 2.574 -1.577 6.099
120 H GLY 18 H GLY 18 -0.903 -5.859 7.391
121 HA2 GLY 18 HA2 GLY 18 -3.108 -6.327 7.249
122 HA3 GLY 18 HA3 GLY 18 -3.359 -4.622 6.935
123 H ALA 19 H ALA 19 -4.113 -4.074 5.033
124 HA ALA 19 HA ALA 19 -4.391 -6.163 2.996
125 HB1 ALA 19 HB1 ALA 19 -6.343 -4.889 2.228
126 HB2 ALA 19 HB2 ALA 19 -6.047 -3.683 3.481
127 HB3 ALA 19 HB3 ALA 19 -6.497 -5.329 3.930
128 H CYS 20 H CYS 20 -2.396 -3.747 3.699
129 HA CYS 20 HA CYS 20 -2.357 -2.503 1.104
130 HB2 CYS 20 HB2 CYS 20 -0.475 -2.186 3.417
131 HB3 CYS 20 HB3 CYS 20 -0.667 -1.120 2.046
132 H ILE 21 H ILE 21 -0.878 -3.022 -0.333
133 HA ILE 21 HA ILE 21 1.190 -4.973 0.367
134 HB ILE 21 HB ILE 21 0.987 -5.908 -1.959
135 HG12 ILE 21 HG12 ILE 21 -1.613 -4.350 -2.002
136 HG13 ILE 21 HG13 ILE 21 -0.209 -4.046 -3.017
137 HG21 ILE 21 HG21 ILE 21 0.090 -7.149 -0.102
138 HG22 ILE 21 HG22 ILE 21 -0.974 -7.326 -1.497
139 HG23 ILE 21 HG23 ILE 21 -1.418 -6.240 -0.180
140 HD11 ILE 21 HD11 ILE 21 -1.949 -5.212 -4.241
141 HD12 ILE 21 HD12 ILE 21 -1.923 -6.520 -3.058
142 HD13 ILE 21 HD13 ILE 21 -0.517 -6.230 -4.080
143 H CYS 22 H CYS 22 2.829 -4.957 -1.725
144 HA CYS 22 HA CYS 22 3.611 -2.163 -1.671
145 HB2 CYS 22 HB2 CYS 22 5.240 -4.009 -1.106
146 HB3 CYS 22 HB3 CYS 22 5.132 -4.529 -2.782
147 H ARG 23 H ARG 23 3.131 -0.866 -3.295
148 HA ARG 23 HA ARG 23 2.015 -2.017 -5.687
149 HB2 ARG 23 HB2 ARG 23 2.232 0.849 -4.792
150 HB3 ARG 23 HB3 ARG 23 1.307 0.239 -6.146
151 HG2 ARG 23 HG2 ARG 23 0.715 -0.843 -3.443
152 HG3 ARG 23 HG3 ARG 23 0.170 0.776 -3.855
153 HD2 ARG 23 HD2 ARG 23 -1.572 -0.909 -4.234
154 HD3 ARG 23 HD3 ARG 23 -1.110 -0.087 -5.712
155 HE ARG 23 HE ARG 23 0.344 -2.289 -5.933
156 HH11 ARG 23 HH11 ARG 23 -2.991 -2.119 -4.667
157 HH12 ARG 23 HH12 ARG 23 -3.483 -3.526 -5.463
158 HH21 ARG 23 HH21 ARG 23 -0.384 -4.217 -7.005
159 HH22 ARG 23 HH22 ARG 23 -1.986 -4.762 -6.789
160 H GLY 24 H GLY 24 2.633 -0.816 -7.776
161 HA2 GLY 24 HA2 GLY 24 5.365 -1.356 -8.262
162 HA3 GLY 24 HA3 GLY 24 4.217 -0.678 -9.398
163 H ASN 25 H ASN 25 3.958 1.401 -7.045
164 HA ASN 25 HA ASN 25 5.893 3.218 -8.200
165 HB2 ASN 25 HB2 ASN 25 4.714 4.956 -6.984
166 HB3 ASN 25 HB3 ASN 25 3.548 3.942 -7.820
167 HD21 ASN 25 HD21 ASN 25 3.045 5.666 -5.676
168 HD22 ASN 25 HD22 ASN 25 2.484 4.760 -4.323
169 H GLY 26 H GLY 26 5.555 1.197 -5.486
170 HA2 GLY 26 HA2 GLY 26 7.441 0.580 -4.185
171 HA3 GLY 26 HA3 GLY 26 8.122 2.180 -4.463
172 H TYR 27 H TYR 27 4.808 2.039 -3.753
173 HA TYR 27 HA TYR 27 5.251 2.867 -0.978
174 HB2 TYR 27 HB2 TYR 27 3.378 3.717 -3.112
175 HB3 TYR 27 HB3 TYR 27 3.008 4.058 -1.421
176 HD1 TYR 27 HD2 TYR 27 5.862 4.522 -3.857
177 HD2 TYR 27 HD1 TYR 27 3.522 6.213 -0.746
178 HE1 TYR 27 HE2 TYR 27 7.080 6.622 -4.092
179 HE2 TYR 27 HE1 TYR 27 4.717 8.317 -0.974
180 HH TYR 27 HH TYR 27 6.779 9.167 -1.790
181 H CYS 28 H CYS 28 3.620 2.227 0.465
182 HA CYS 28 HA CYS 28 2.443 -0.337 -0.065
183 HB2 CYS 28 HB2 CYS 28 2.465 1.421 2.371
184 HB3 CYS 28 HB3 CYS 28 1.637 -0.132 2.309
185 H GLY 29 H GLY 29 0.721 -0.369 -1.291
186 HA2 GLY 29 HA2 GLY 29 -1.425 1.541 -0.649
187 HA3 GLY 29 HA3 GLY 29 -1.074 1.050 -2.300
188 H GLU 30 H GLU 30 -3.513 0.812 -0.865
189 HA GLU 30 HA GLU 30 -4.028 -1.678 0.138
190 HB2 GLU 30 HB2 GLU 30 -5.278 0.409 0.302
191 HB3 GLU 30 HB3 GLU 30 -5.886 0.174 -1.332
192 HG2 GLU 30 HG2 GLU 30 -7.080 -1.784 -0.566
193 HG3 GLU 30 HG3 GLU 30 -6.359 -1.612 1.043
194 H ALA 31 H ALA 31 -5.363 -3.238 -0.774
195 HA ALA 31 HA ALA 31 -4.261 -4.453 -3.075
196 HB1 ALA 31 HB1 ALA 31 -5.997 -6.182 -2.748
197 HB2 ALA 31 HB2 ALA 31 -6.766 -5.148 -1.543
198 HB3 ALA 31 HB3 ALA 31 -5.149 -5.783 -1.255
199 H ILE 32 H ILE 32 -7.682 -3.754 -2.612
200 HA ILE 32 HA ILE 32 -7.687 -2.485 -5.218
201 HB ILE 32 HB ILE 32 -9.804 -4.490 -4.331
202 HG12 ILE 32 HG12 ILE 32 -7.818 -4.717 -6.612
203 HG13 ILE 32 HG13 ILE 32 -7.666 -5.545 -5.070
204 HG21 ILE 32 HG21 ILE 32 -9.591 -2.931 -6.905
205 HG22 ILE 32 HG22 ILE 32 -10.774 -2.678 -5.622
206 HG23 ILE 32 HG23 ILE 32 -10.791 -4.176 -6.555
207 HD11 ILE 32 HD11 ILE 32 -8.511 -7.012 -6.809
208 HD12 ILE 32 HD12 ILE 32 -9.883 -5.932 -7.068
209 HD13 ILE 32 HD13 ILE 32 -9.706 -6.788 -5.535
210 H TYR 33 H TYR 33 -9.823 -3.327 -2.785
211 HA TYR 33 HA TYR 33 -10.035 -0.724 -1.642
212 HB2 TYR 33 HB2 TYR 33 -11.552 -0.505 -3.683
213 HB3 TYR 33 HB3 TYR 33 -12.582 -1.736 -2.962
214 HD1 TYR 33 HD1 TYR 33 -11.263 1.672 -2.560
215 HD2 TYR 33 HD2 TYR 33 -14.115 -1.165 -1.190
216 HE1 TYR 33 HE1 TYR 33 -12.395 3.438 -1.316
217 HE2 TYR 33 HE2 TYR 33 -15.266 0.602 0.070
218 HH TYR 33 HH TYR 33 -14.738 2.793 1.032
219 H ALA 34 H ALA 34 -9.824 -1.401 0.296
220 HA ALA 34 HA ALA 34 -11.129 -3.888 1.133
221 HB1 ALA 34 HB1 ALA 34 -8.703 -3.807 1.367
222 HB2 ALA 34 HB2 ALA 34 -9.492 -3.939 2.941
223 HB3 ALA 34 HB3 ALA 34 -8.847 -2.389 2.403
224 H ALA 35 H ALA 35 -11.751 -3.977 3.401
225 HA ALA 35 HA ALA 35 -13.571 -1.854 4.112
226 HB1 ALA 35 HB1 ALA 35 -12.844 -4.484 5.439
227 HB2 ALA 35 HB2 ALA 35 -14.203 -4.217 4.352
228 HB3 ALA 35 HB3 ALA 35 -14.186 -3.456 5.938
229 HA PRO 36 HA PRO 36 -10.892 0.056 7.143
230 HB2 PRO 36 HB2 PRO 36 -12.313 0.134 9.462
231 HB3 PRO 36 HB3 PRO 36 -12.464 1.300 8.138
232 HG2 PRO 36 HG2 PRO 36 -14.223 -1.014 8.840
233 HG3 PRO 36 HG3 PRO 36 -14.661 0.568 8.170
234 HD2 PRO 36 HD2 PRO 36 -14.530 -1.697 6.687
235 HD3 PRO 36 HD3 PRO 36 -14.230 -0.090 6.012
236 H PHE 37 H PHE 37 -9.519 -1.451 7.196
237 HA PHE 37 HA PHE 37 -9.124 -2.980 9.655
238 HB2 PHE 37 HB2 PHE 37 -10.032 -4.574 7.976
239 HB3 PHE 37 HB3 PHE 37 -8.799 -4.079 6.836
240 HD1 PHE 37 HD1 PHE 37 -9.368 -5.838 10.029
241 HD2 PHE 37 HD2 PHE 37 -6.628 -5.040 6.872
242 HE1 PHE 37 HE1 PHE 37 -7.891 -7.618 10.856
243 HE2 PHE 37 HE2 PHE 37 -5.150 -6.821 7.701
244 HZ PHE 37 HZ PHE 37 -5.776 -8.109 9.691
245 H ALA 38 H ALA 38 -7.823 -2.292 6.471
246 HA ALA 38 HA ALA 38 -5.715 -0.673 7.555
247 HB1 ALA 38 HB1 ALA 38 -5.248 -3.050 5.767
248 HB2 ALA 38 HB2 ALA 38 -4.582 -2.838 7.398
249 HB3 ALA 38 HB3 ALA 38 -4.059 -1.794 6.063
250 H ARG 39 H ARG 39 -6.596 1.035 6.592
251 HA ARG 39 HA ARG 39 -7.337 0.832 3.799
252 HB2 ARG 39 HB2 ARG 39 -7.697 2.991 5.824
253 HB3 ARG 39 HB3 ARG 39 -8.148 3.158 4.149
254 HG2 ARG 39 HG2 ARG 39 -9.252 0.903 5.782
255 HG3 ARG 39 HG3 ARG 39 -10.017 2.496 5.783
256 HD2 ARG 39 HD2 ARG 39 -9.392 0.974 3.256
257 HD3 ARG 39 HD3 ARG 39 -10.932 0.837 4.109
258 HE ARG 39 HE ARG 39 -11.037 3.331 3.850
259 HH11 ARG 39 HH11 ARG 39 -9.253 1.416 1.411
260 HH12 ARG 39 HH12 ARG 39 -9.725 2.381 0.130
261 HH21 ARG 39 HH21 ARG 39 -11.594 4.702 2.052
262 HH22 ARG 39 HH22 ARG 39 -11.038 4.339 0.484
Start of MODEL 11
1 H1 CYS 1 H CYS 1 -4.783 1.417 2.824
2 HA CYS 1 HA CYS 1 -2.996 3.368 3.954
3 HB2 CYS 1 HB2 CYS 1 -3.191 2.282 1.152
4 HB3 CYS 1 HB3 CYS 1 -2.110 3.598 1.605
5 H GLU 2 H GLU 2 -4.571 4.624 4.717
6 HA GLU 2 HA GLU 2 -6.266 6.101 2.893
7 HB2 GLU 2 HB2 GLU 2 -5.952 6.230 5.891
8 HB3 GLU 2 HB3 GLU 2 -7.162 7.101 4.958
9 HG2 GLU 2 HG2 GLU 2 -6.924 4.101 5.110
10 HG3 GLU 2 HG3 GLU 2 -8.066 5.080 6.032
11 H ALA 3 H ALA 3 -3.475 6.481 4.936
12 HA ALA 3 HA ALA 3 -3.155 9.245 4.241
13 HB1 ALA 3 HB1 ALA 3 -1.060 9.054 5.558
14 HB2 ALA 3 HB2 ALA 3 -1.341 7.323 5.726
15 HB3 ALA 3 HB3 ALA 3 -2.453 8.471 6.469
16 H ILE 4 H ILE 4 -3.023 9.165 2.064
17 HA ILE 4 HA ILE 4 -1.121 7.384 0.789
18 HB ILE 4 HB ILE 4 -3.004 9.391 -0.516
19 HG12 ILE 4 HG12 ILE 4 -3.277 6.396 -0.145
20 HG13 ILE 4 HG13 ILE 4 -4.181 7.620 0.736
21 HG21 ILE 4 HG21 ILE 4 -2.612 8.114 -2.583
22 HG22 ILE 4 HG22 ILE 4 -1.439 7.104 -1.739
23 HG23 ILE 4 HG23 ILE 4 -1.114 8.821 -1.976
24 HD11 ILE 4 HD11 ILE 4 -5.246 8.329 -1.340
25 HD12 ILE 4 HD12 ILE 4 -5.506 6.607 -1.050
26 HD13 ILE 4 HD13 ILE 4 -4.312 7.134 -2.233
27 H TYR 5 H TYR 5 -1.117 10.557 1.955
28 HA TYR 5 HA TYR 5 0.924 11.511 0.100
29 HB2 TYR 5 HB2 TYR 5 -0.876 12.991 1.150
30 HB3 TYR 5 HB3 TYR 5 -0.028 12.799 2.669
31 HD1 TYR 5 HD2 TYR 5 0.086 14.317 -0.632
32 HD2 TYR 5 HD1 TYR 5 2.080 13.949 3.094
33 HE1 TYR 5 HE2 TYR 5 1.503 16.216 -1.217
34 HE2 TYR 5 HE1 TYR 5 3.505 15.852 2.524
35 HH TYR 5 HH TYR 5 4.299 17.018 0.531
36 H ALA 6 H ALA 6 0.480 10.299 3.243
37 HA ALA 6 HA ALA 6 3.373 10.334 3.777
38 HB1 ALA 6 HB1 ALA 6 2.775 9.922 6.102
39 HB2 ALA 6 HB2 ALA 6 1.065 9.881 5.664
40 HB3 ALA 6 HB3 ALA 6 1.994 11.374 5.481
41 H ALA 7 H ALA 7 1.855 8.482 2.018
42 HA ALA 7 HA ALA 7 1.585 5.938 3.184
43 HB1 ALA 7 HB1 ALA 7 0.630 6.474 0.993
44 HB2 ALA 7 HB2 ALA 7 1.697 5.077 0.877
45 HB3 ALA 7 HB3 ALA 7 2.248 6.657 0.321
46 HA PRO 8 HA PRO 8 5.916 5.193 3.782
47 HB2 PRO 8 HB2 PRO 8 5.748 2.603 4.583
48 HB3 PRO 8 HB3 PRO 8 5.334 3.955 5.639
49 HG2 PRO 8 HG2 PRO 8 3.535 2.150 4.084
50 HG3 PRO 8 HG3 PRO 8 3.327 2.801 5.719
51 HD2 PRO 8 HD2 PRO 8 2.073 3.826 3.523
52 HD3 PRO 8 HD3 PRO 8 2.490 4.792 4.952
53 H LYS 9 H LYS 9 7.550 4.337 2.576
54 HA LYS 9 HA LYS 9 6.740 3.101 0.125
55 HB2 LYS 9 HB2 LYS 9 9.087 3.312 -0.590
56 HB3 LYS 9 HB3 LYS 9 8.381 4.842 -0.106
57 HG2 LYS 9 HG2 LYS 9 9.554 4.647 2.060
58 HG3 LYS 9 HG3 LYS 9 10.312 3.165 1.483
59 HD2 LYS 9 HD2 LYS 9 10.571 5.888 0.195
60 HD3 LYS 9 HD3 LYS 9 11.780 5.112 1.214
61 HE2 LYS 9 HE2 LYS 9 10.785 4.024 -1.428
62 HE3 LYS 9 HE3 LYS 9 12.280 4.910 -1.194
63 HZ1 LYS 9 HZ1 LYS 9 11.639 2.278 0.041
64 HZ2 LYS 9 HZ2 LYS 9 13.043 3.167 0.292
65 HZ3 LYS 9 HZ3 LYS 9 12.701 2.573 -1.226
66 H CYS 10 H CYS 10 7.917 1.178 -0.706
67 HA CYS 10 HA CYS 10 8.378 -0.693 1.506
68 HB2 CYS 10 HB2 CYS 10 7.026 -2.327 0.201
69 HB3 CYS 10 HB3 CYS 10 6.107 -0.974 0.860
70 H ARG 11 H ARG 11 9.699 -2.409 1.048
71 HA ARG 11 HA ARG 11 11.248 -2.326 -1.453
72 HB2 ARG 11 HB2 ARG 11 11.589 -4.042 1.013
73 HB3 ARG 11 HB3 ARG 11 12.745 -3.824 -0.287
74 HG2 ARG 11 HG2 ARG 11 13.282 -1.645 0.432
75 HG3 ARG 11 HG3 ARG 11 11.866 -1.582 1.491
76 HD2 ARG 11 HD2 ARG 11 14.218 -3.434 1.815
77 HD3 ARG 11 HD3 ARG 11 13.904 -1.984 2.773
78 HE ARG 11 HE ARG 11 11.620 -3.423 3.033
79 HH11 ARG 11 HH11 ARG 11 15.027 -4.289 3.591
80 HH12 ARG 11 HH12 ARG 11 14.661 -5.329 4.884
81 HH21 ARG 11 HH21 ARG 11 11.169 -4.800 4.772
82 HH22 ARG 11 HH22 ARG 11 12.407 -5.648 5.597
83 H ARG 12 H ARG 12 9.370 -4.258 0.755
84 HA ARG 12 HA ARG 12 8.621 -6.146 -1.359
85 HB2 ARG 12 HB2 ARG 12 8.628 -7.867 0.391
86 HB3 ARG 12 HB3 ARG 12 10.231 -7.296 -0.033
87 HG2 ARG 12 HG2 ARG 12 9.859 -5.700 2.019
88 HG3 ARG 12 HG3 ARG 12 8.614 -6.867 2.455
89 HD2 ARG 12 HD2 ARG 12 10.675 -7.416 3.574
90 HD3 ARG 12 HD3 ARG 12 10.321 -8.649 2.354
91 HE ARG 12 HE ARG 12 11.815 -6.867 1.031
92 HH11 ARG 12 HH11 ARG 12 12.373 -8.675 4.034
93 HH12 ARG 12 HH12 ARG 12 14.061 -8.734 3.823
94 HH21 ARG 12 HH21 ARG 12 14.119 -6.917 0.781
95 HH22 ARG 12 HH22 ARG 12 15.069 -7.736 1.928
96 H ASP 13 H ASP 13 6.725 -7.312 -0.815
97 HA ASP 13 HA ASP 13 4.620 -5.572 -0.227
98 HB2 ASP 13 HB2 ASP 13 4.887 -8.488 -0.723
99 HB3 ASP 13 HB3 ASP 13 3.354 -7.808 -0.217
100 H SER 14 H SER 14 6.390 -7.884 1.600
101 HA SER 14 HA SER 14 4.617 -8.002 3.796
102 HB2 SER 14 HB2 SER 14 6.691 -8.949 4.882
103 HB3 SER 14 HB3 SER 14 5.952 -9.811 3.497
104 HG SER 14 HG SER 14 8.238 -9.630 3.354
105 H ASP 15 H ASP 15 6.594 -5.619 2.790
106 HA ASP 15 HA ASP 15 7.188 -4.470 5.406
107 HB2 ASP 15 HB2 ASP 15 7.244 -3.138 2.679
108 HB3 ASP 15 HB3 ASP 15 7.631 -2.298 4.171
109 H CYS 16 H CYS 16 4.520 -4.550 3.287
110 HA CYS 16 HA CYS 16 3.211 -2.368 4.680
111 HB2 CYS 16 HB2 CYS 16 2.408 -3.878 2.203
112 HB3 CYS 16 HB3 CYS 16 1.753 -2.355 2.796
113 HA PRO 17 HA PRO 17 0.785 -5.840 6.343
114 HB2 PRO 17 HB2 PRO 17 -0.112 -4.596 8.543
115 HB3 PRO 17 HB3 PRO 17 1.562 -5.136 8.391
116 HG2 PRO 17 HG2 PRO 17 0.488 -2.398 8.379
117 HG3 PRO 17 HG3 PRO 17 2.145 -2.946 8.649
118 HD2 PRO 17 HD2 PRO 17 0.943 -1.911 6.205
119 HD3 PRO 17 HD3 PRO 17 2.648 -2.281 6.554
120 H GLY 18 H GLY 18 -1.492 -5.957 7.376
121 HA2 GLY 18 HA2 GLY 18 -3.734 -5.638 7.393
122 HA3 GLY 18 HA3 GLY 18 -3.467 -3.996 6.856
123 H ALA 19 H ALA 19 -4.030 -3.481 4.913
124 HA ALA 19 HA ALA 19 -4.750 -5.654 3.093
125 HB1 ALA 19 HB1 ALA 19 -6.468 -4.203 2.213
126 HB2 ALA 19 HB2 ALA 19 -5.942 -2.895 3.272
127 HB3 ALA 19 HB3 ALA 19 -6.656 -4.352 3.961
128 H CYS 20 H CYS 20 -2.415 -3.460 3.663
129 HA CYS 20 HA CYS 20 -2.223 -2.496 0.958
130 HB2 CYS 20 HB2 CYS 20 -0.617 -1.889 3.400
131 HB3 CYS 20 HB3 CYS 20 -0.375 -1.183 1.822
132 H ILE 21 H ILE 21 -0.766 -2.933 -0.342
133 HA ILE 21 HA ILE 21 1.227 -4.991 0.286
134 HB ILE 21 HB ILE 21 1.017 -5.802 -2.051
135 HG12 ILE 21 HG12 ILE 21 -1.409 -3.987 -2.231
136 HG13 ILE 21 HG13 ILE 21 0.127 -3.698 -3.034
137 HG21 ILE 21 HG21 ILE 21 -0.197 -6.996 -0.332
138 HG22 ILE 21 HG22 ILE 21 -1.136 -6.985 -1.827
139 HG23 ILE 21 HG23 ILE 21 -1.569 -5.902 -0.504
140 HD11 ILE 21 HD11 ILE 21 -0.184 -5.726 -4.354
141 HD12 ILE 21 HD12 ILE 21 -1.529 -4.605 -4.561
142 HD13 ILE 21 HD13 ILE 21 -1.714 -6.025 -3.534
143 H CYS 22 H CYS 22 2.830 -4.852 -1.797
144 HA CYS 22 HA CYS 22 3.691 -2.060 -1.717
145 HB2 CYS 22 HB2 CYS 22 5.288 -3.824 -1.008
146 HB3 CYS 22 HB3 CYS 22 5.180 -4.554 -2.604
147 H ARG 23 H ARG 23 2.792 -0.912 -3.354
148 HA ARG 23 HA ARG 23 1.971 -2.211 -5.769
149 HB2 ARG 23 HB2 ARG 23 1.899 0.684 -4.936
150 HB3 ARG 23 HB3 ARG 23 1.131 0.014 -6.360
151 HG2 ARG 23 HG2 ARG 23 -0.290 -1.377 -4.919
152 HG3 ARG 23 HG3 ARG 23 0.483 -0.677 -3.509
153 HD2 ARG 23 HD2 ARG 23 -1.656 0.423 -3.934
154 HD3 ARG 23 HD3 ARG 23 -0.316 1.548 -4.127
155 HE ARG 23 HE ARG 23 -0.900 0.501 -6.635
156 HH11 ARG 23 HH11 ARG 23 -2.552 2.522 -4.209
157 HH12 ARG 23 HH12 ARG 23 -3.467 3.376 -5.343
158 HH21 ARG 23 HH21 ARG 23 -2.133 1.688 -8.177
159 HH22 ARG 23 HH22 ARG 23 -3.204 2.923 -7.687
160 H GLY 24 H GLY 24 2.464 -1.002 -7.865
161 HA2 GLY 24 HA2 GLY 24 5.229 -1.248 -8.411
162 HA3 GLY 24 HA3 GLY 24 3.993 -0.697 -9.523
163 H ASN 25 H ASN 25 3.699 1.281 -6.998
164 HA ASN 25 HA ASN 25 5.264 3.388 -8.250
165 HB2 ASN 25 HB2 ASN 25 4.055 4.904 -6.741
166 HB3 ASN 25 HB3 ASN 25 2.918 3.846 -7.564
167 HD21 ASN 25 HD21 ASN 25 2.495 5.300 -5.137
168 HD22 ASN 25 HD22 ASN 25 2.147 4.136 -3.919
169 H GLY 26 H GLY 26 5.359 1.219 -5.616
170 HA2 GLY 26 HA2 GLY 26 7.422 0.668 -4.596
171 HA3 GLY 26 HA3 GLY 26 7.963 2.329 -4.844
172 H TYR 27 H TYR 27 4.754 1.949 -3.813
173 HA TYR 27 HA TYR 27 5.503 2.533 -1.082
174 HB2 TYR 27 HB2 TYR 27 3.707 3.907 -2.964
175 HB3 TYR 27 HB3 TYR 27 3.430 4.085 -1.219
176 HD1 TYR 27 HD1 TYR 27 5.187 5.264 0.120
177 HD2 TYR 27 HD2 TYR 27 5.437 5.060 -4.116
178 HE1 TYR 27 HE1 TYR 27 6.847 7.046 0.149
179 HE2 TYR 27 HE2 TYR 27 7.106 6.849 -4.111
180 HH TYR 27 HH TYR 27 7.795 8.737 -2.603
181 H CYS 28 H CYS 28 3.889 2.067 0.423
182 HA CYS 28 HA CYS 28 2.478 -0.330 -0.075
183 HB2 CYS 28 HB2 CYS 28 2.359 1.614 2.234
184 HB3 CYS 28 HB3 CYS 28 1.548 0.052 2.209
185 H GLY 29 H GLY 29 0.468 -0.622 -0.696
186 HA2 GLY 29 HA2 GLY 29 -1.520 1.431 -0.284
187 HA3 GLY 29 HA3 GLY 29 -1.150 1.067 -1.968
188 H GLU 30 H GLU 30 -3.415 0.528 0.091
189 HA GLU 30 HA GLU 30 -3.918 -2.138 0.340
190 HB2 GLU 30 HB2 GLU 30 -5.263 -0.442 1.332
191 HB3 GLU 30 HB3 GLU 30 -5.790 0.075 -0.283
192 HG2 GLU 30 HG2 GLU 30 -7.052 -1.945 -0.543
193 HG3 GLU 30 HG3 GLU 30 -6.409 -2.583 0.969
194 H ALA 31 H ALA 31 -4.722 -3.582 -0.716
195 HA ALA 31 HA ALA 31 -4.387 -3.607 -3.629
196 HB1 ALA 31 HB1 ALA 31 -4.647 -6.021 -3.541
197 HB2 ALA 31 HB2 ALA 31 -5.154 -5.932 -1.858
198 HB3 ALA 31 HB3 ALA 31 -3.504 -5.497 -2.304
199 H ILE 32 H ILE 32 -6.916 -4.796 -1.510
200 HA ILE 32 HA ILE 32 -8.958 -3.779 -3.334
201 HB ILE 32 HB ILE 32 -9.025 -6.403 -1.808
202 HG12 ILE 32 HG12 ILE 32 -8.750 -5.978 -4.799
203 HG13 ILE 32 HG13 ILE 32 -7.483 -6.557 -3.727
204 HG21 ILE 32 HG21 ILE 32 -11.111 -6.856 -2.982
205 HG22 ILE 32 HG22 ILE 32 -10.995 -5.315 -3.807
206 HG23 ILE 32 HG23 ILE 32 -11.225 -5.355 -2.056
207 HD11 ILE 32 HD11 ILE 32 -8.788 -8.571 -3.281
208 HD12 ILE 32 HD12 ILE 32 -8.472 -8.371 -5.005
209 HD13 ILE 32 HD13 ILE 32 -10.062 -7.981 -4.348
210 H TYR 33 H TYR 33 -10.701 -2.954 -2.151
211 HA TYR 33 HA TYR 33 -10.050 -1.808 0.316
212 HB2 TYR 33 HB2 TYR 33 -12.738 -2.088 -1.041
213 HB3 TYR 33 HB3 TYR 33 -12.420 -1.056 0.346
214 HD1 TYR 33 HD1 TYR 33 -10.406 0.647 -0.022
215 HD2 TYR 33 HD2 TYR 33 -12.652 -1.105 -3.170
216 HE1 TYR 33 HE1 TYR 33 -9.750 2.474 -1.484
217 HE2 TYR 33 HE2 TYR 33 -11.985 0.724 -4.662
218 HH TYR 33 HH TYR 33 -11.211 3.080 -4.451
219 H ALA 34 H ALA 34 -9.801 -2.867 2.130
220 HA ALA 34 HA ALA 34 -11.539 -5.180 2.673
221 HB1 ALA 34 HB1 ALA 34 -9.654 -6.208 3.784
222 HB2 ALA 34 HB2 ALA 34 -8.680 -4.770 3.483
223 HB3 ALA 34 HB3 ALA 34 -9.232 -5.756 2.130
224 H ALA 35 H ALA 35 -10.775 -5.736 5.210
225 HA ALA 35 HA ALA 35 -12.194 -3.839 6.752
226 HB1 ALA 35 HB1 ALA 35 -11.785 -5.392 8.610
227 HB2 ALA 35 HB2 ALA 35 -10.657 -6.296 7.599
228 HB3 ALA 35 HB3 ALA 35 -12.368 -6.240 7.178
229 HA PRO 36 HA PRO 36 -8.818 -1.290 8.085
230 HB2 PRO 36 HB2 PRO 36 -10.168 -1.168 10.719
231 HB3 PRO 36 HB3 PRO 36 -9.727 0.144 9.620
232 HG2 PRO 36 HG2 PRO 36 -12.256 -0.548 9.806
233 HG3 PRO 36 HG3 PRO 36 -11.535 -0.261 8.213
234 HD2 PRO 36 HD2 PRO 36 -12.021 -2.887 9.581
235 HD3 PRO 36 HD3 PRO 36 -12.459 -2.361 7.936
236 H PHE 37 H PHE 37 -6.926 -2.025 8.494
237 HA PHE 37 HA PHE 37 -6.170 -2.869 11.142
238 HB2 PHE 37 HB2 PHE 37 -6.476 -4.996 9.834
239 HB3 PHE 37 HB3 PHE 37 -5.306 -4.412 8.666
240 HD1 PHE 37 HD2 PHE 37 -5.735 -5.679 12.077
241 HD2 PHE 37 HD1 PHE 37 -2.921 -4.414 9.154
242 HE1 PHE 37 HE2 PHE 37 -3.910 -6.643 13.413
243 HE2 PHE 37 HE1 PHE 37 -1.095 -5.380 10.492
244 HZ PHE 37 HZ PHE 37 -1.592 -6.490 12.618
245 H ALA 38 H ALA 38 -4.905 -2.737 7.876
246 HA ALA 38 HA ALA 38 -3.646 -0.204 8.416
247 HB1 ALA 38 HB1 ALA 38 -2.161 -2.549 7.220
248 HB2 ALA 38 HB2 ALA 38 -1.787 -1.787 8.778
249 HB3 ALA 38 HB3 ALA 38 -1.603 -0.893 7.257
250 H ARG 39 H ARG 39 -5.034 0.754 7.124
251 HA ARG 39 HA ARG 39 -5.148 -0.208 4.389
252 HB2 ARG 39 HB2 ARG 39 -7.020 1.642 5.881
253 HB3 ARG 39 HB3 ARG 39 -7.200 1.110 4.218
254 HG2 ARG 39 HG2 ARG 39 -7.359 -1.246 5.095
255 HG3 ARG 39 HG3 ARG 39 -7.442 -0.547 6.714
256 HD2 ARG 39 HD2 ARG 39 -9.681 -0.984 5.914
257 HD3 ARG 39 HD3 ARG 39 -9.424 0.763 5.985
258 HE ARG 39 HE ARG 39 -8.865 -0.546 3.462
259 HH11 ARG 39 HH11 ARG 39 -11.338 1.213 5.321
260 HH12 ARG 39 HH12 ARG 39 -12.123 1.779 3.925
261 HH21 ARG 39 HH21 ARG 39 -9.849 0.289 1.655
262 HH22 ARG 39 HH22 ARG 39 -11.256 1.276 1.759
Start of MODEL 12
1 H1 CYS 1 H CYS 1 -4.024 2.463 1.926
2 HA CYS 1 HA CYS 1 -1.895 3.167 3.736
3 HB2 CYS 1 HB2 CYS 1 -1.843 1.020 1.611
4 HB3 CYS 1 HB3 CYS 1 -0.391 1.654 2.388
5 H GLU 2 H GLU 2 -1.817 5.183 3.212
6 HA GLU 2 HA GLU 2 -0.938 5.961 0.556
7 HB2 GLU 2 HB2 GLU 2 -3.060 7.452 2.148
8 HB3 GLU 2 HB3 GLU 2 -2.433 7.875 0.575
9 HG2 GLU 2 HG2 GLU 2 -3.532 5.952 -0.410
10 HG3 GLU 2 HG3 GLU 2 -4.115 5.455 1.180
11 H ALA 3 H ALA 3 -0.591 8.630 1.189
12 HA ALA 3 HA ALA 3 1.121 8.398 3.513
13 HB1 ALA 3 HB1 ALA 3 2.149 10.488 2.762
14 HB2 ALA 3 HB2 ALA 3 0.970 10.612 1.455
15 HB3 ALA 3 HB3 ALA 3 2.144 9.296 1.463
16 H ILE 4 H ILE 4 -0.565 8.373 5.019
17 HA ILE 4 HA ILE 4 -1.951 10.942 5.326
18 HB ILE 4 HB ILE 4 -2.524 8.439 6.951
19 HG12 ILE 4 HG12 ILE 4 -4.768 8.522 5.583
20 HG13 ILE 4 HG13 ILE 4 -3.782 9.345 4.384
21 HG21 ILE 4 HG21 ILE 4 -3.147 10.509 8.018
22 HG22 ILE 4 HG22 ILE 4 -4.579 9.573 7.587
23 HG23 ILE 4 HG23 ILE 4 -4.109 10.967 6.612
24 HD11 ILE 4 HD11 ILE 4 -3.276 6.609 5.505
25 HD12 ILE 4 HD12 ILE 4 -2.313 7.414 4.262
26 HD13 ILE 4 HD13 ILE 4 -3.993 6.966 3.938
27 H TYR 5 H TYR 5 -0.498 8.461 7.323
28 HA TYR 5 HA TYR 5 0.111 10.377 9.421
29 HB2 TYR 5 HB2 TYR 5 -0.798 7.965 9.663
30 HB3 TYR 5 HB3 TYR 5 0.832 7.454 9.285
31 HD1 TYR 5 HD1 TYR 5 2.665 7.817 10.912
32 HD2 TYR 5 HD2 TYR 5 -1.342 8.937 11.787
33 HE1 TYR 5 HE1 TYR 5 3.231 7.976 13.295
34 HE2 TYR 5 HE2 TYR 5 -0.791 9.109 14.161
35 HH TYR 5 HH TYR 5 2.327 9.200 15.322
36 H ALA 6 H ALA 6 1.558 8.467 6.942
37 HA ALA 6 HA ALA 6 3.929 9.985 6.719
38 HB1 ALA 6 HB1 ALA 6 4.617 8.700 8.710
39 HB2 ALA 6 HB2 ALA 6 5.539 8.187 7.294
40 HB3 ALA 6 HB3 ALA 6 4.205 7.196 7.885
41 H ALA 7 H ALA 7 5.204 9.116 4.876
42 HA ALA 7 HA ALA 7 3.482 7.781 3.008
43 HB1 ALA 7 HB1 ALA 7 5.290 8.155 1.409
44 HB2 ALA 7 HB2 ALA 7 6.347 8.689 2.715
45 HB3 ALA 7 HB3 ALA 7 4.924 9.642 2.287
46 HA PRO 8 HA PRO 8 5.380 3.979 4.344
47 HB2 PRO 8 HB2 PRO 8 3.470 2.288 3.455
48 HB3 PRO 8 HB3 PRO 8 3.276 3.259 4.916
49 HG2 PRO 8 HG2 PRO 8 2.001 3.585 2.275
50 HG3 PRO 8 HG3 PRO 8 1.463 4.158 3.859
51 HD2 PRO 8 HD2 PRO 8 2.803 5.652 1.809
52 HD3 PRO 8 HD3 PRO 8 2.300 6.202 3.419
53 H LYS 9 H LYS 9 7.138 3.823 3.047
54 HA LYS 9 HA LYS 9 6.903 3.107 0.243
55 HB2 LYS 9 HB2 LYS 9 9.401 3.081 0.316
56 HB3 LYS 9 HB3 LYS 9 8.701 4.611 0.830
57 HG2 LYS 9 HG2 LYS 9 9.031 3.930 3.179
58 HG3 LYS 9 HG3 LYS 9 9.803 2.451 2.611
59 HD2 LYS 9 HD2 LYS 9 11.555 3.729 1.550
60 HD3 LYS 9 HD3 LYS 9 10.750 5.240 1.977
61 HE2 LYS 9 HE2 LYS 9 12.565 4.819 3.543
62 HE3 LYS 9 HE3 LYS 9 11.012 4.678 4.355
63 HZ1 LYS 9 HZ1 LYS 9 12.470 2.917 5.019
64 HZ2 LYS 9 HZ2 LYS 9 12.695 2.422 3.424
65 HZ3 LYS 9 HZ3 LYS 9 11.189 2.275 4.155
66 H CYS 10 H CYS 10 7.923 1.114 -0.607
67 HA CYS 10 HA CYS 10 8.012 -1.042 1.378
68 HB2 CYS 10 HB2 CYS 10 6.579 -2.431 -0.034
69 HB3 CYS 10 HB3 CYS 10 5.739 -0.997 0.546
70 H ARG 11 H ARG 11 9.316 -2.752 0.853
71 HA ARG 11 HA ARG 11 10.789 -2.649 -1.685
72 HB2 ARG 11 HB2 ARG 11 11.241 -4.262 0.836
73 HB3 ARG 11 HB3 ARG 11 12.285 -4.247 -0.573
74 HG2 ARG 11 HG2 ARG 11 13.007 -2.043 -0.124
75 HG3 ARG 11 HG3 ARG 11 11.732 -1.808 1.077
76 HD2 ARG 11 HD2 ARG 11 13.973 -3.804 1.285
77 HD3 ARG 11 HD3 ARG 11 13.907 -2.253 2.131
78 HE ARG 11 HE ARG 11 11.555 -3.535 2.724
79 HH11 ARG 11 HH11 ARG 11 14.985 -4.285 3.254
80 HH12 ARG 11 HH12 ARG 11 14.685 -5.188 4.666
81 HH21 ARG 11 HH21 ARG 11 11.187 -4.662 4.608
82 HH22 ARG 11 HH22 ARG 11 12.468 -5.408 5.492
83 H ARG 12 H ARG 12 8.907 -4.542 0.560
84 HA ARG 12 HA ARG 12 7.771 -6.152 -1.582
85 HB2 ARG 12 HB2 ARG 12 7.883 -8.071 0.072
86 HB3 ARG 12 HB3 ARG 12 9.320 -7.730 -0.886
87 HG2 ARG 12 HG2 ARG 12 10.197 -6.521 1.128
88 HG3 ARG 12 HG3 ARG 12 8.797 -7.141 2.012
89 HD2 ARG 12 HD2 ARG 12 10.828 -8.833 0.558
90 HD3 ARG 12 HD3 ARG 12 10.780 -8.582 2.301
91 HE ARG 12 HE ARG 12 8.363 -9.492 1.909
92 HH11 ARG 12 HH11 ARG 12 11.385 -10.700 0.523
93 HH12 ARG 12 HH12 ARG 12 10.889 -12.318 0.428
94 HH21 ARG 12 HH21 ARG 12 7.656 -11.727 1.813
95 HH22 ARG 12 HH22 ARG 12 8.700 -12.920 1.195
96 H ASP 13 H ASP 13 5.906 -7.438 -0.813
97 HA ASP 13 HA ASP 13 3.959 -5.633 -0.068
98 HB2 ASP 13 HB2 ASP 13 3.998 -8.626 -0.032
99 HB3 ASP 13 HB3 ASP 13 2.580 -7.628 0.150
100 H SER 14 H SER 14 5.820 -7.914 1.651
101 HA SER 14 HA SER 14 4.329 -8.026 4.039
102 HB2 SER 14 HB2 SER 14 6.503 -8.832 5.001
103 HB3 SER 14 HB3 SER 14 5.854 -9.760 3.632
104 HG SER 14 HG SER 14 8.194 -8.477 3.887
105 H ASP 15 H ASP 15 6.550 -5.676 2.834
106 HA ASP 15 HA ASP 15 7.166 -4.400 5.330
107 HB2 ASP 15 HB2 ASP 15 7.106 -3.235 2.537
108 HB3 ASP 15 HB3 ASP 15 7.601 -2.320 3.949
109 H CYS 16 H CYS 16 4.399 -4.485 3.366
110 HA CYS 16 HA CYS 16 3.317 -2.013 4.357
111 HB2 CYS 16 HB2 CYS 16 2.220 -4.053 2.445
112 HB3 CYS 16 HB3 CYS 16 1.606 -2.423 2.721
113 HA PRO 17 HA PRO 17 1.035 -4.258 7.478
114 HB2 PRO 17 HB2 PRO 17 -0.393 -2.217 8.445
115 HB3 PRO 17 HB3 PRO 17 1.346 -2.344 8.732
116 HG2 PRO 17 HG2 PRO 17 -0.131 -0.665 6.741
117 HG3 PRO 17 HG3 PRO 17 1.254 -0.229 7.757
118 HD2 PRO 17 HD2 PRO 17 1.454 -0.942 5.121
119 HD3 PRO 17 HD3 PRO 17 2.759 -1.157 6.307
120 H GLY 18 H GLY 18 -1.322 -4.331 8.209
121 HA2 GLY 18 HA2 GLY 18 -3.485 -4.898 7.769
122 HA3 GLY 18 HA3 GLY 18 -3.458 -3.663 6.510
123 H ALA 19 H ALA 19 -4.230 -4.597 4.763
124 HA ALA 19 HA ALA 19 -3.037 -7.150 3.972
125 HB1 ALA 19 HB1 ALA 19 -5.484 -7.190 4.184
126 HB2 ALA 19 HB2 ALA 19 -4.967 -7.450 2.518
127 HB3 ALA 19 HB3 ALA 19 -5.599 -5.879 3.008
128 H CYS 20 H CYS 20 -2.281 -4.105 3.702
129 HA CYS 20 HA CYS 20 -2.539 -3.455 0.984
130 HB2 CYS 20 HB2 CYS 20 -0.601 -2.458 3.055
131 HB3 CYS 20 HB3 CYS 20 -0.893 -1.721 1.489
132 H ILE 21 H ILE 21 -0.980 -3.408 -0.606
133 HA ILE 21 HA ILE 21 1.182 -5.331 -0.239
134 HB ILE 21 HB ILE 21 0.990 -5.751 -2.696
135 HG12 ILE 21 HG12 ILE 21 -1.649 -4.276 -2.422
136 HG13 ILE 21 HG13 ILE 21 -0.244 -3.704 -3.308
137 HG21 ILE 21 HG21 ILE 21 -0.955 -7.265 -2.539
138 HG22 ILE 21 HG22 ILE 21 -1.383 -6.503 -1.003
139 HG23 ILE 21 HG23 ILE 21 0.137 -7.375 -1.160
140 HD11 ILE 21 HD11 ILE 21 -0.474 -5.576 -4.864
141 HD12 ILE 21 HD12 ILE 21 -1.935 -4.590 -4.799
142 HD13 ILE 21 HD13 ILE 21 -1.880 -6.143 -3.964
143 H CYS 22 H CYS 22 2.798 -4.929 -2.097
144 HA CYS 22 HA CYS 22 3.619 -2.166 -1.820
145 HB2 CYS 22 HB2 CYS 22 5.191 -4.046 -1.373
146 HB3 CYS 22 HB3 CYS 22 5.000 -4.563 -3.039
147 H ARG 23 H ARG 23 3.175 -0.726 -3.420
148 HA ARG 23 HA ARG 23 2.107 -1.722 -5.910
149 HB2 ARG 23 HB2 ARG 23 2.443 1.103 -4.954
150 HB3 ARG 23 HB3 ARG 23 1.392 0.519 -6.221
151 HG2 ARG 23 HG2 ARG 23 1.072 -0.286 -3.346
152 HG3 ARG 23 HG3 ARG 23 0.240 1.088 -4.051
153 HD2 ARG 23 HD2 ARG 23 0.033 -1.754 -5.063
154 HD3 ARG 23 HD3 ARG 23 -1.110 -1.025 -3.940
155 HE ARG 23 HE ARG 23 -0.961 0.672 -6.088
156 HH11 ARG 23 HH11 ARG 23 -1.928 -2.707 -5.630
157 HH12 ARG 23 HH12 ARG 23 -3.129 -2.685 -6.834
158 HH21 ARG 23 HH21 ARG 23 -2.591 0.684 -7.788
159 HH22 ARG 23 HH22 ARG 23 -3.480 -0.733 -8.090
160 H GLY 24 H GLY 24 2.893 -0.728 -7.866
161 HA2 GLY 24 HA2 GLY 24 5.719 -1.025 -8.097
162 HA3 GLY 24 HA3 GLY 24 4.610 -0.605 -9.389
163 H ASN 25 H ASN 25 4.056 1.558 -7.046
164 HA ASN 25 HA ASN 25 5.738 3.552 -8.310
165 HB2 ASN 25 HB2 ASN 25 4.461 5.203 -6.879
166 HB3 ASN 25 HB3 ASN 25 3.453 4.271 -7.973
167 HD21 ASN 25 HD21 ASN 25 1.609 4.687 -6.693
168 HD22 ASN 25 HD22 ASN 25 1.390 3.927 -5.164
169 H GLY 26 H GLY 26 5.655 1.628 -5.468
170 HA2 GLY 26 HA2 GLY 26 7.872 1.282 -4.477
171 HA3 GLY 26 HA3 GLY 26 8.085 3.026 -4.547
172 H TYR 27 H TYR 27 4.959 2.517 -3.849
173 HA TYR 27 HA TYR 27 5.413 2.767 -0.988
174 HB2 TYR 27 HB2 TYR 27 3.547 4.057 -2.878
175 HB3 TYR 27 HB3 TYR 27 3.274 4.140 -1.125
176 HD1 TYR 27 HD2 TYR 27 5.299 5.111 0.223
177 HD2 TYR 27 HD1 TYR 27 4.761 5.680 -3.949
178 HE1 TYR 27 HE2 TYR 27 6.789 7.057 0.308
179 HE2 TYR 27 HE1 TYR 27 6.247 7.623 -3.883
180 HH TYR 27 HH TYR 27 7.069 9.238 -2.305
181 H CYS 28 H CYS 28 3.686 2.104 0.284
182 HA CYS 28 HA CYS 28 2.454 -0.366 -0.520
183 HB2 CYS 28 HB2 CYS 28 2.292 1.250 2.014
184 HB3 CYS 28 HB3 CYS 28 1.555 -0.331 1.782
185 H GLY 29 H GLY 29 0.372 -0.713 -0.968
186 HA2 GLY 29 HA2 GLY 29 -1.620 1.295 -0.423
187 HA3 GLY 29 HA3 GLY 29 -1.266 1.030 -2.128
188 H GLU 30 H GLU 30 -3.727 0.446 -0.784
189 HA GLU 30 HA GLU 30 -3.892 -2.325 -0.504
190 HB2 GLU 30 HB2 GLU 30 -5.420 -0.875 0.618
191 HB3 GLU 30 HB3 GLU 30 -5.981 -0.167 -0.898
192 HG2 GLU 30 HG2 GLU 30 -7.614 -1.657 0.111
193 HG3 GLU 30 HG3 GLU 30 -7.055 -2.277 -1.437
194 H ALA 31 H ALA 31 -5.182 -3.634 -1.961
195 HA ALA 31 HA ALA 31 -4.317 -3.366 -4.716
196 HB1 ALA 31 HB1 ALA 31 -4.437 -5.588 -3.698
197 HB2 ALA 31 HB2 ALA 31 -5.544 -5.482 -5.071
198 HB3 ALA 31 HB3 ALA 31 -6.168 -5.380 -3.425
199 H ILE 32 H ILE 32 -7.217 -3.174 -2.878
200 HA ILE 32 HA ILE 32 -8.889 -2.354 -5.080
201 HB ILE 32 HB ILE 32 -9.402 -2.138 -2.111
202 HG12 ILE 32 HG12 ILE 32 -8.913 -4.479 -2.632
203 HG13 ILE 32 HG13 ILE 32 -10.615 -4.277 -2.236
204 HG21 ILE 32 HG21 ILE 32 -11.327 -2.194 -4.423
205 HG22 ILE 32 HG22 ILE 32 -10.933 -0.807 -3.405
206 HG23 ILE 32 HG23 ILE 32 -11.789 -2.189 -2.719
207 HD11 ILE 32 HD11 ILE 32 -11.162 -4.342 -4.624
208 HD12 ILE 32 HD12 ILE 32 -10.335 -5.803 -4.092
209 HD13 ILE 32 HD13 ILE 32 -9.454 -4.576 -5.003
210 H TYR 33 H TYR 33 -9.404 -0.234 -5.453
211 HA TYR 33 HA TYR 33 -7.504 1.677 -4.531
212 HB2 TYR 33 HB2 TYR 33 -9.943 2.065 -6.273
213 HB3 TYR 33 HB3 TYR 33 -8.651 3.229 -6.010
214 HD1 TYR 33 HD2 TYR 33 -6.285 2.573 -6.743
215 HD2 TYR 33 HD1 TYR 33 -9.762 0.466 -7.979
216 HE1 TYR 33 HE2 TYR 33 -5.026 1.597 -8.609
217 HE2 TYR 33 HE1 TYR 33 -8.518 -0.520 -9.839
218 HH TYR 33 HH TYR 33 -5.164 -0.417 -10.059
219 H ALA 34 H ALA 34 -10.882 1.021 -3.972
220 HA ALA 34 HA ALA 34 -11.065 3.248 -2.129
221 HB1 ALA 34 HB1 ALA 34 -13.436 2.684 -1.998
222 HB2 ALA 34 HB2 ALA 34 -13.152 1.251 -2.985
223 HB3 ALA 34 HB3 ALA 34 -12.917 2.856 -3.676
224 H ALA 35 H ALA 35 -9.623 2.475 -0.578
225 HA ALA 35 HA ALA 35 -10.130 0.011 0.815
226 HB1 ALA 35 HB1 ALA 35 -8.252 2.286 1.445
227 HB2 ALA 35 HB2 ALA 35 -7.844 0.798 0.593
228 HB3 ALA 35 HB3 ALA 35 -8.285 0.746 2.300
229 HA PRO 36 HA PRO 36 -13.435 1.736 3.305
230 HB2 PRO 36 HB2 PRO 36 -12.830 -0.572 5.068
231 HB3 PRO 36 HB3 PRO 36 -14.359 -0.093 4.331
232 HG2 PRO 36 HG2 PRO 36 -12.999 -2.169 3.379
233 HG3 PRO 36 HG3 PRO 36 -13.837 -1.052 2.288
234 HD2 PRO 36 HD2 PRO 36 -10.921 -1.257 2.917
235 HD3 PRO 36 HD3 PRO 36 -11.741 -0.938 1.371
236 H PHE 37 H PHE 37 -10.516 0.610 4.996
237 HA PHE 37 HA PHE 37 -10.544 3.018 6.608
238 HB2 PHE 37 HB2 PHE 37 -11.925 1.370 7.858
239 HB3 PHE 37 HB3 PHE 37 -10.546 0.292 7.884
240 HD1 PHE 37 HD1 PHE 37 -11.564 3.714 8.954
241 HD2 PHE 37 HD2 PHE 37 -9.006 0.374 9.619
242 HE1 PHE 37 HE1 PHE 37 -10.745 4.756 11.018
243 HE2 PHE 37 HE2 PHE 37 -8.181 1.414 11.683
244 HZ PHE 37 HZ PHE 37 -9.047 3.607 12.389
245 H ALA 38 H ALA 38 -9.107 -0.141 6.053
246 HA ALA 38 HA ALA 38 -6.531 0.695 6.921
247 HB1 ALA 38 HB1 ALA 38 -7.316 -1.815 5.444
248 HB2 ALA 38 HB2 ALA 38 -7.254 -1.638 7.201
249 HB3 ALA 38 HB3 ALA 38 -5.775 -1.523 6.243
250 H ARG 39 H ARG 39 -6.813 2.494 5.459
251 HA ARG 39 HA ARG 39 -6.005 2.208 2.717
252 HB2 ARG 39 HB2 ARG 39 -5.900 4.600 4.520
253 HB3 ARG 39 HB3 ARG 39 -5.602 4.606 2.802
254 HG2 ARG 39 HG2 ARG 39 -7.937 3.949 2.422
255 HG3 ARG 39 HG3 ARG 39 -8.218 4.047 4.174
256 HD2 ARG 39 HD2 ARG 39 -7.505 6.350 4.168
257 HD3 ARG 39 HD3 ARG 39 -7.139 6.251 2.454
258 HE ARG 39 HE ARG 39 -9.866 5.809 3.385
259 HH11 ARG 39 HH11 ARG 39 -7.508 7.669 1.481
260 HH12 ARG 39 HH12 ARG 39 -8.653 8.745 0.856
261 HH21 ARG 39 HH21 ARG 39 -11.469 7.314 2.515
262 HH22 ARG 39 HH22 ARG 39 -10.945 8.557 1.465
Start of MODEL 13
1 H1 CYS 1 H CYS 1 -3.398 1.553 4.271
2 HA CYS 1 HA CYS 1 -2.348 2.536 6.896
3 HB2 CYS 1 HB2 CYS 1 -0.423 1.070 6.606
4 HB3 CYS 1 HB3 CYS 1 -1.887 0.105 6.439
5 H GLU 2 H GLU 2 -2.988 3.456 4.115
6 HA GLU 2 HA GLU 2 -0.463 4.212 2.885
7 HB2 GLU 2 HB2 GLU 2 -3.243 4.732 1.971
8 HB3 GLU 2 HB3 GLU 2 -1.803 4.676 0.994
9 HG2 GLU 2 HG2 GLU 2 -1.589 2.337 1.174
10 HG3 GLU 2 HG3 GLU 2 -2.755 2.259 2.484
11 H ALA 3 H ALA 3 -0.627 6.478 1.800
12 HA ALA 3 HA ALA 3 -2.178 8.445 3.027
13 HB1 ALA 3 HB1 ALA 3 -0.434 8.250 4.729
14 HB2 ALA 3 HB2 ALA 3 -0.262 9.753 3.818
15 HB3 ALA 3 HB3 ALA 3 0.808 8.393 3.482
16 H ILE 4 H ILE 4 -1.962 10.282 1.820
17 HA ILE 4 HA ILE 4 -0.841 9.742 -0.814
18 HB ILE 4 HB ILE 4 -2.940 11.863 -0.165
19 HG12 ILE 4 HG12 ILE 4 -4.474 10.355 -1.566
20 HG13 ILE 4 HG13 ILE 4 -3.276 9.091 -1.344
21 HG21 ILE 4 HG21 ILE 4 -3.268 12.003 -2.605
22 HG22 ILE 4 HG22 ILE 4 -1.935 10.873 -2.831
23 HG23 ILE 4 HG23 ILE 4 -1.633 12.457 -2.119
24 HD11 ILE 4 HD11 ILE 4 -3.645 9.198 1.081
25 HD12 ILE 4 HD12 ILE 4 -5.135 8.845 0.205
26 HD13 ILE 4 HD13 ILE 4 -4.846 10.467 0.835
27 H TYR 5 H TYR 5 -0.541 11.841 1.862
28 HA TYR 5 HA TYR 5 1.062 13.741 0.355
29 HB2 TYR 5 HB2 TYR 5 -0.470 14.412 2.269
30 HB3 TYR 5 HB3 TYR 5 0.653 13.614 3.346
31 HD1 TYR 5 HD2 TYR 5 2.860 14.570 3.827
32 HD2 TYR 5 HD1 TYR 5 0.151 16.521 1.191
33 HE1 TYR 5 HE2 TYR 5 4.218 16.604 3.949
34 HE2 TYR 5 HE1 TYR 5 1.499 18.556 1.303
35 HH TYR 5 HH TYR 5 3.126 19.587 2.902
36 H ALA 6 H ALA 6 1.436 11.348 2.867
37 HA ALA 6 HA ALA 6 4.269 11.130 2.143
38 HB1 ALA 6 HB1 ALA 6 4.935 10.896 4.466
39 HB2 ALA 6 HB2 ALA 6 3.265 11.091 4.986
40 HB3 ALA 6 HB3 ALA 6 4.112 12.440 4.230
41 H ALA 7 H ALA 7 3.891 9.322 0.980
42 HA ALA 7 HA ALA 7 2.333 7.187 2.055
43 HB1 ALA 7 HB1 ALA 7 2.274 7.687 -0.310
44 HB2 ALA 7 HB2 ALA 7 2.911 6.058 -0.052
45 HB3 ALA 7 HB3 ALA 7 4.006 7.381 -0.440
46 HA PRO 8 HA PRO 8 5.845 5.123 3.994
47 HB2 PRO 8 HB2 PRO 8 4.097 2.738 3.899
48 HB3 PRO 8 HB3 PRO 8 4.814 3.527 5.306
49 HG2 PRO 8 HG2 PRO 8 2.191 3.689 4.817
50 HG3 PRO 8 HG3 PRO 8 3.092 5.058 5.493
51 HD2 PRO 8 HD2 PRO 8 2.193 4.585 2.679
52 HD3 PRO 8 HD3 PRO 8 2.143 6.077 3.655
53 H LYS 9 H LYS 9 7.502 4.356 2.782
54 HA LYS 9 HA LYS 9 6.858 3.193 0.226
55 HB2 LYS 9 HB2 LYS 9 9.268 3.255 -0.268
56 HB3 LYS 9 HB3 LYS 9 8.627 4.817 0.196
57 HG2 LYS 9 HG2 LYS 9 9.613 4.559 2.414
58 HG3 LYS 9 HG3 LYS 9 10.250 2.978 1.943
59 HD2 LYS 9 HD2 LYS 9 11.534 4.019 0.150
60 HD3 LYS 9 HD3 LYS 9 10.884 5.596 0.588
61 HE2 LYS 9 HE2 LYS 9 11.950 5.403 2.790
62 HE3 LYS 9 HE3 LYS 9 12.612 3.837 2.320
63 HZ1 LYS 9 HZ1 LYS 9 13.192 6.407 0.965
64 HZ2 LYS 9 HZ2 LYS 9 13.865 4.896 0.588
65 HZ3 LYS 9 HZ3 LYS 9 14.212 5.616 2.065
66 H CYS 10 H CYS 10 8.084 1.264 -0.556
67 HA CYS 10 HA CYS 10 8.552 -0.728 1.505
68 HB2 CYS 10 HB2 CYS 10 6.924 -2.242 0.419
69 HB3 CYS 10 HB3 CYS 10 6.159 -0.843 1.175
70 H ARG 11 H ARG 11 9.608 -2.562 0.641
71 HA ARG 11 HA ARG 11 10.362 -2.381 -2.194
72 HB2 ARG 11 HB2 ARG 11 11.929 -3.560 0.115
73 HB3 ARG 11 HB3 ARG 11 12.330 -3.861 -1.563
74 HG2 ARG 11 HG2 ARG 11 12.290 -1.132 -0.280
75 HG3 ARG 11 HG3 ARG 11 13.736 -2.118 -0.479
76 HD2 ARG 11 HD2 ARG 11 13.663 -0.493 -2.264
77 HD3 ARG 11 HD3 ARG 11 13.346 -2.085 -2.946
78 HE ARG 11 HE ARG 11 11.088 -0.361 -2.250
79 HH11 ARG 11 HH11 ARG 11 13.012 -1.818 -4.817
80 HH12 ARG 11 HH12 ARG 11 11.865 -1.567 -6.045
81 HH21 ARG 11 HH21 ARG 11 9.512 -0.054 -3.840
82 HH22 ARG 11 HH22 ARG 11 9.766 -0.543 -5.466
83 H ARG 12 H ARG 12 9.246 -4.309 0.450
84 HA ARG 12 HA ARG 12 8.244 -6.243 -1.482
85 HB2 ARG 12 HB2 ARG 12 8.354 -7.907 0.382
86 HB3 ARG 12 HB3 ARG 12 9.892 -7.506 -0.368
87 HG2 ARG 12 HG2 ARG 12 10.370 -6.047 1.558
88 HG3 ARG 12 HG3 ARG 12 8.826 -6.517 2.276
89 HD2 ARG 12 HD2 ARG 12 10.724 -7.806 3.192
90 HD3 ARG 12 HD3 ARG 12 9.537 -8.828 2.383
91 HE ARG 12 HE ARG 12 11.705 -7.926 0.767
92 HH11 ARG 12 HH11 ARG 12 10.469 -10.560 2.808
93 HH12 ARG 12 HH12 ARG 12 11.559 -11.726 2.258
94 HH21 ARG 12 HH21 ARG 12 13.241 -9.560 -0.018
95 HH22 ARG 12 HH22 ARG 12 13.186 -11.138 0.612
96 H ASP 13 H ASP 13 6.390 -7.357 -0.802
97 HA ASP 13 HA ASP 13 4.366 -5.562 -0.202
98 HB2 ASP 13 HB2 ASP 13 4.542 -8.520 -0.414
99 HB3 ASP 13 HB3 ASP 13 3.055 -7.710 0.025
100 H SER 14 H SER 14 6.201 -7.737 1.733
101 HA SER 14 HA SER 14 4.447 -7.707 3.962
102 HB2 SER 14 HB2 SER 14 6.531 -8.547 5.126
103 HB3 SER 14 HB3 SER 14 5.813 -9.525 3.816
104 HG SER 14 HG SER 14 7.772 -9.465 3.142
105 H ASP 15 H ASP 15 6.577 -5.444 2.787
106 HA ASP 15 HA ASP 15 7.149 -4.058 5.269
107 HB2 ASP 15 HB2 ASP 15 7.121 -2.941 2.444
108 HB3 ASP 15 HB3 ASP 15 7.603 -2.016 3.853
109 H CYS 16 H CYS 16 4.356 -4.484 3.433
110 HA CYS 16 HA CYS 16 3.112 -2.088 4.488
111 HB2 CYS 16 HB2 CYS 16 2.315 -3.915 2.234
112 HB3 CYS 16 HB3 CYS 16 1.572 -2.380 2.671
113 HA PRO 17 HA PRO 17 1.065 -5.122 7.082
114 HB2 PRO 17 HB2 PRO 17 -0.274 -3.452 8.664
115 HB3 PRO 17 HB3 PRO 17 1.487 -3.561 8.730
116 HG2 PRO 17 HG2 PRO 17 -0.235 -1.478 7.474
117 HG3 PRO 17 HG3 PRO 17 1.314 -1.298 8.313
118 HD2 PRO 17 HD2 PRO 17 0.950 -1.380 5.537
119 HD3 PRO 17 HD3 PRO 17 2.487 -1.601 6.388
120 H GLY 18 H GLY 18 -1.102 -5.735 7.787
121 HA2 GLY 18 HA2 GLY 18 -3.262 -6.282 7.428
122 HA3 GLY 18 HA3 GLY 18 -3.483 -4.603 6.968
123 H ALA 19 H ALA 19 -4.465 -4.447 5.149
124 HA ALA 19 HA ALA 19 -4.264 -6.568 3.152
125 HB1 ALA 19 HB1 ALA 19 -6.213 -4.279 3.381
126 HB2 ALA 19 HB2 ALA 19 -6.496 -5.927 3.934
127 HB3 ALA 19 HB3 ALA 19 -6.292 -5.598 2.213
128 H CYS 20 H CYS 20 -2.421 -4.083 3.751
129 HA CYS 20 HA CYS 20 -2.496 -2.750 1.213
130 HB2 CYS 20 HB2 CYS 20 -0.499 -2.709 3.459
131 HB3 CYS 20 HB3 CYS 20 -0.491 -1.633 2.069
132 H ILE 21 H ILE 21 -0.853 -2.954 -0.314
133 HA ILE 21 HA ILE 21 1.043 -5.157 -0.009
134 HB ILE 21 HB ILE 21 0.870 -5.584 -2.438
135 HG12 ILE 21 HG12 ILE 21 -1.555 -3.765 -2.393
136 HG13 ILE 21 HG13 ILE 21 0.006 -3.335 -3.072
137 HG21 ILE 21 HG21 ILE 21 -0.361 -7.026 -0.971
138 HG22 ILE 21 HG22 ILE 21 -1.288 -6.765 -2.450
139 HG23 ILE 21 HG23 ILE 21 -1.728 -5.914 -0.969
140 HD11 ILE 21 HD11 ILE 21 -1.756 -5.577 -4.043
141 HD12 ILE 21 HD12 ILE 21 -0.220 -5.071 -4.752
142 HD13 ILE 21 HD13 ILE 21 -1.606 -3.984 -4.783
143 H CYS 22 H CYS 22 2.766 -4.795 -1.779
144 HA CYS 22 HA CYS 22 3.533 -1.999 -1.563
145 HB2 CYS 22 HB2 CYS 22 5.155 -3.789 -0.941
146 HB3 CYS 22 HB3 CYS 22 5.104 -4.385 -2.596
147 H ARG 23 H ARG 23 2.829 -0.717 -3.203
148 HA ARG 23 HA ARG 23 1.892 -1.905 -5.638
149 HB2 ARG 23 HB2 ARG 23 2.207 0.981 -4.858
150 HB3 ARG 23 HB3 ARG 23 1.298 0.370 -6.214
151 HG2 ARG 23 HG2 ARG 23 0.622 -0.420 -3.403
152 HG3 ARG 23 HG3 ARG 23 -0.019 1.042 -4.135
153 HD2 ARG 23 HD2 ARG 23 -0.366 -1.758 -5.227
154 HD3 ARG 23 HD3 ARG 23 -1.573 -0.884 -4.282
155 HE ARG 23 HE ARG 23 -0.570 0.225 -6.808
156 HH11 ARG 23 HH11 ARG 23 -3.363 -0.968 -4.924
157 HH12 ARG 23 HH12 ARG 23 -4.497 -0.461 -6.070
158 HH21 ARG 23 HH21 ARG 23 -2.128 0.912 -8.325
159 HH22 ARG 23 HH22 ARG 23 -3.791 0.655 -8.032
160 H GLY 24 H GLY 24 2.600 -0.942 -7.719
161 HA2 GLY 24 HA2 GLY 24 5.386 -1.434 -8.067
162 HA3 GLY 24 HA3 GLY 24 4.264 -0.951 -9.321
163 H ASN 25 H ASN 25 4.021 1.292 -6.967
164 HA ASN 25 HA ASN 25 5.792 3.131 -8.350
165 HB2 ASN 25 HB2 ASN 25 4.685 4.900 -7.072
166 HB3 ASN 25 HB3 ASN 25 3.469 3.861 -7.796
167 HD21 ASN 25 HD21 ASN 25 3.132 5.633 -5.576
168 HD22 ASN 25 HD22 ASN 25 2.668 4.650 -4.241
169 H GLY 26 H GLY 26 5.606 1.244 -5.493
170 HA2 GLY 26 HA2 GLY 26 7.665 0.644 -4.403
171 HA3 GLY 26 HA3 GLY 26 8.222 2.293 -4.667
172 H TYR 27 H TYR 27 4.942 2.020 -3.767
173 HA TYR 27 HA TYR 27 5.585 2.633 -1.017
174 HB2 TYR 27 HB2 TYR 27 3.921 4.044 -3.005
175 HB3 TYR 27 HB3 TYR 27 3.701 4.342 -1.269
176 HD1 TYR 27 HD1 TYR 27 5.612 5.440 -0.036
177 HD2 TYR 27 HD2 TYR 27 5.679 4.998 -4.257
178 HE1 TYR 27 HE1 TYR 27 7.386 7.095 -0.162
179 HE2 TYR 27 HE2 TYR 27 7.473 6.662 -4.409
180 HH TYR 27 HH TYR 27 9.117 7.830 -1.589
181 H CYS 28 H CYS 28 3.966 2.128 0.430
182 HA CYS 28 HA CYS 28 2.487 -0.202 -0.129
183 HB2 CYS 28 HB2 CYS 28 2.452 1.670 2.229
184 HB3 CYS 28 HB3 CYS 28 1.545 0.162 2.163
185 H GLY 29 H GLY 29 0.574 -0.455 -0.934
186 HA2 GLY 29 HA2 GLY 29 -1.403 1.664 -0.682
187 HA3 GLY 29 HA3 GLY 29 -0.959 1.124 -2.294
188 H GLU 30 H GLU 30 -3.500 0.886 -1.298
189 HA GLU 30 HA GLU 30 -4.059 -1.601 -0.246
190 HB2 GLU 30 HB2 GLU 30 -5.648 0.178 -0.228
191 HB3 GLU 30 HB3 GLU 30 -5.750 0.180 -1.990
192 HG2 GLU 30 HG2 GLU 30 -6.875 -1.923 -1.947
193 HG3 GLU 30 HG3 GLU 30 -6.608 -2.092 -0.211
194 H ALA 31 H ALA 31 -5.007 -3.394 -1.253
195 HA ALA 31 HA ALA 31 -3.378 -4.299 -3.449
196 HB1 ALA 31 HB1 ALA 31 -4.326 -6.488 -3.024
197 HB2 ALA 31 HB2 ALA 31 -5.515 -5.772 -1.931
198 HB3 ALA 31 HB3 ALA 31 -3.804 -5.729 -1.521
199 H ILE 32 H ILE 32 -6.536 -3.137 -3.110
200 HA ILE 32 HA ILE 32 -7.695 -4.414 -5.370
201 HB ILE 32 HB ILE 32 -8.641 -1.905 -3.920
202 HG12 ILE 32 HG12 ILE 32 -9.308 -4.803 -3.347
203 HG13 ILE 32 HG13 ILE 32 -8.280 -3.782 -2.350
204 HG21 ILE 32 HG21 ILE 32 -9.802 -2.275 -6.035
205 HG22 ILE 32 HG22 ILE 32 -10.886 -2.588 -4.682
206 HG23 ILE 32 HG23 ILE 32 -10.164 -3.933 -5.563
207 HD11 ILE 32 HD11 ILE 32 -11.223 -3.385 -2.866
208 HD12 ILE 32 HD12 ILE 32 -10.200 -2.347 -1.873
209 HD13 ILE 32 HD13 ILE 32 -10.494 -4.016 -1.387
210 H TYR 33 H TYR 33 -8.220 -3.357 -7.419
211 HA TYR 33 HA TYR 33 -6.079 -1.612 -8.264
212 HB2 TYR 33 HB2 TYR 33 -8.170 -3.145 -9.820
213 HB3 TYR 33 HB3 TYR 33 -6.923 -2.148 -10.538
214 HD1 TYR 33 HD1 TYR 33 -4.583 -2.879 -10.525
215 HD2 TYR 33 HD2 TYR 33 -7.647 -5.316 -8.860
216 HE1 TYR 33 HE1 TYR 33 -3.062 -4.790 -10.543
217 HE2 TYR 33 HE2 TYR 33 -6.136 -7.239 -8.866
218 HH TYR 33 HH TYR 33 -2.802 -6.951 -9.357
219 H ALA 34 H ALA 34 -9.229 -1.363 -7.289
220 HA ALA 34 HA ALA 34 -10.023 0.955 -8.786
221 HB1 ALA 34 HB1 ALA 34 -11.694 -0.548 -7.782
222 HB2 ALA 34 HB2 ALA 34 -11.859 1.082 -7.130
223 HB3 ALA 34 HB3 ALA 34 -11.072 -0.172 -6.176
224 H ALA 35 H ALA 35 -10.730 2.919 -7.107
225 HA ALA 35 HA ALA 35 -8.313 4.104 -6.310
226 HB1 ALA 35 HB1 ALA 35 -10.310 5.423 -6.884
227 HB2 ALA 35 HB2 ALA 35 -9.702 5.850 -5.286
228 HB3 ALA 35 HB3 ALA 35 -11.122 4.819 -5.438
229 HA PRO 36 HA PRO 36 -7.607 1.737 -2.552
230 HB2 PRO 36 HB2 PRO 36 -5.856 4.080 -1.996
231 HB3 PRO 36 HB3 PRO 36 -5.477 2.358 -1.917
232 HG2 PRO 36 HG2 PRO 36 -4.601 3.797 -3.948
233 HG3 PRO 36 HG3 PRO 36 -5.256 2.173 -4.227
234 HD2 PRO 36 HD2 PRO 36 -6.537 4.832 -4.709
235 HD3 PRO 36 HD3 PRO 36 -6.578 3.341 -5.680
236 H PHE 37 H PHE 37 -7.995 1.916 -0.376
237 HA PHE 37 HA PHE 37 -9.901 3.973 0.368
238 HB2 PHE 37 HB2 PHE 37 -10.417 1.620 0.772
239 HB3 PHE 37 HB3 PHE 37 -8.990 1.452 1.778
240 HD1 PHE 37 HD1 PHE 37 -12.142 3.397 1.524
241 HD2 PHE 37 HD2 PHE 37 -9.231 1.642 4.076
242 HE1 PHE 37 HE1 PHE 37 -13.515 3.972 3.481
243 HE2 PHE 37 HE2 PHE 37 -10.600 2.221 6.033
244 HZ PHE 37 HZ PHE 37 -12.737 3.388 5.735
245 H ALA 38 H ALA 38 -6.592 3.412 0.721
246 HA ALA 38 HA ALA 38 -4.966 4.300 1.766
247 HB1 ALA 38 HB1 ALA 38 -6.845 6.398 2.909
248 HB2 ALA 38 HB2 ALA 38 -5.915 6.559 1.415
249 HB3 ALA 38 HB3 ALA 38 -5.086 6.472 2.965
250 H ARG 39 H ARG 39 -5.302 2.274 2.676
251 HA ARG 39 HA ARG 39 -6.513 1.906 5.252
252 HB2 ARG 39 HB2 ARG 39 -4.552 0.019 4.003
253 HB3 ARG 39 HB3 ARG 39 -5.905 -0.342 5.070
254 HG2 ARG 39 HG2 ARG 39 -7.438 0.423 3.257
255 HG3 ARG 39 HG3 ARG 39 -6.035 0.522 2.197
256 HD2 ARG 39 HD2 ARG 39 -7.083 -1.567 1.805
257 HD3 ARG 39 HD3 ARG 39 -5.606 -1.890 2.718
258 HE ARG 39 HE ARG 39 -6.863 -2.368 4.596
259 HH11 ARG 39 HH11 ARG 39 -8.938 -1.569 1.787
260 HH12 ARG 39 HH12 ARG 39 -10.329 -2.251 2.458
261 HH21 ARG 39 HH21 ARG 39 -8.853 -3.301 5.519
262 HH22 ARG 39 HH22 ARG 39 -10.285 -3.226 4.629
Start of MODEL 14
1 H1 CYS 1 H CYS 1 -2.888 2.396 2.484
2 HA CYS 1 HA CYS 1 -1.761 2.984 5.098
3 HB2 CYS 1 HB2 CYS 1 -0.270 1.683 2.798
4 HB3 CYS 1 HB3 CYS 1 0.456 2.242 4.296
5 H GLU 2 H GLU 2 -2.020 5.173 4.905
6 HA GLU 2 HA GLU 2 -0.227 6.418 3.031
7 HB2 GLU 2 HB2 GLU 2 -2.342 6.511 1.842
8 HB3 GLU 2 HB3 GLU 2 -3.146 7.232 3.238
9 HG2 GLU 2 HG2 GLU 2 -1.886 9.258 2.960
10 HG3 GLU 2 HG3 GLU 2 -0.875 8.513 1.726
11 H ALA 3 H ALA 3 0.472 8.444 3.688
12 HA ALA 3 HA ALA 3 -0.274 9.770 6.007
13 HB1 ALA 3 HB1 ALA 3 1.760 9.314 7.314
14 HB2 ALA 3 HB2 ALA 3 2.247 8.091 6.142
15 HB3 ALA 3 HB3 ALA 3 0.806 7.845 7.131
16 H ILE 4 H ILE 4 0.857 11.676 6.038
17 HA ILE 4 HA ILE 4 2.079 12.176 3.447
18 HB ILE 4 HB ILE 4 1.029 14.249 5.415
19 HG12 ILE 4 HG12 ILE 4 -0.703 14.648 3.566
20 HG13 ILE 4 HG13 ILE 4 -0.186 13.116 2.885
21 HG21 ILE 4 HG21 ILE 4 2.794 15.191 4.085
22 HG22 ILE 4 HG22 ILE 4 1.244 15.860 3.567
23 HG23 ILE 4 HG23 ILE 4 2.036 14.610 2.606
24 HD11 ILE 4 HD11 ILE 4 -2.229 12.903 4.197
25 HD12 ILE 4 HD12 ILE 4 -1.384 13.515 5.619
26 HD13 ILE 4 HD13 ILE 4 -0.909 11.974 4.907
27 H TYR 5 H TYR 5 2.954 12.301 6.791
28 HA TYR 5 HA TYR 5 5.417 13.716 6.151
29 HB2 TYR 5 HB2 TYR 5 4.330 14.171 8.288
30 HB3 TYR 5 HB3 TYR 5 4.441 12.497 8.736
31 HD1 TYR 5 HD2 TYR 5 6.681 15.346 7.831
32 HD2 TYR 5 HD1 TYR 5 6.218 11.712 9.991
33 HE1 TYR 5 HE2 TYR 5 8.887 15.673 8.843
34 HE2 TYR 5 HE1 TYR 5 8.421 12.023 11.007
35 HH TYR 5 HH TYR 5 10.070 14.911 10.959
36 H ALA 6 H ALA 6 4.355 10.632 7.131
37 HA ALA 6 HA ALA 6 6.896 9.534 6.150
38 HB1 ALA 6 HB1 ALA 6 6.829 7.761 7.828
39 HB2 ALA 6 HB2 ALA 6 5.330 8.419 8.480
40 HB3 ALA 6 HB3 ALA 6 6.824 9.346 8.603
41 H ALA 7 H ALA 7 5.944 9.253 4.127
42 HA ALA 7 HA ALA 7 3.619 7.584 3.906
43 HB1 ALA 7 HB1 ALA 7 3.984 9.395 2.297
44 HB2 ALA 7 HB2 ALA 7 3.932 7.830 1.484
45 HB3 ALA 7 HB3 ALA 7 5.480 8.627 1.767
46 HA PRO 8 HA PRO 8 6.081 3.981 4.412
47 HB2 PRO 8 HB2 PRO 8 4.146 2.130 3.911
48 HB3 PRO 8 HB3 PRO 8 4.287 3.013 5.432
49 HG2 PRO 8 HG2 PRO 8 2.466 3.509 3.118
50 HG3 PRO 8 HG3 PRO 8 2.132 3.623 4.855
51 HD2 PRO 8 HD2 PRO 8 2.601 5.788 3.292
52 HD3 PRO 8 HD3 PRO 8 3.015 5.733 5.016
53 H LYS 9 H LYS 9 7.534 3.863 2.877
54 HA LYS 9 HA LYS 9 6.867 3.017 0.184
55 HB2 LYS 9 HB2 LYS 9 9.530 3.545 1.533
56 HB3 LYS 9 HB3 LYS 9 9.358 3.019 -0.131
57 HG2 LYS 9 HG2 LYS 9 8.113 5.079 -0.635
58 HG3 LYS 9 HG3 LYS 9 8.355 5.612 1.027
59 HD2 LYS 9 HD2 LYS 9 10.759 5.628 0.710
60 HD3 LYS 9 HD3 LYS 9 10.581 4.956 -0.908
61 HE2 LYS 9 HE2 LYS 9 11.006 7.335 -1.064
62 HE3 LYS 9 HE3 LYS 9 9.364 6.994 -1.592
63 HZ1 LYS 9 HZ1 LYS 9 10.103 8.035 1.095
64 HZ2 LYS 9 HZ2 LYS 9 8.529 7.803 0.512
65 HZ3 LYS 9 HZ3 LYS 9 9.527 8.960 -0.181
66 H CYS 10 H CYS 10 7.713 1.069 -0.705
67 HA CYS 10 HA CYS 10 8.122 -1.008 1.341
68 HB2 CYS 10 HB2 CYS 10 6.782 -2.509 -0.039
69 HB3 CYS 10 HB3 CYS 10 5.850 -1.118 0.507
70 H ARG 11 H ARG 11 9.523 -2.632 0.819
71 HA ARG 11 HA ARG 11 10.804 -2.478 -1.826
72 HB2 ARG 11 HB2 ARG 11 11.826 -3.852 0.676
73 HB3 ARG 11 HB3 ARG 11 12.685 -3.697 -0.838
74 HG2 ARG 11 HG2 ARG 11 12.006 -1.470 1.080
75 HG3 ARG 11 HG3 ARG 11 13.598 -2.156 0.777
76 HD2 ARG 11 HD2 ARG 11 11.901 -0.652 -1.219
77 HD3 ARG 11 HD3 ARG 11 13.299 -0.008 -0.362
78 HE ARG 11 HE ARG 11 14.190 -2.246 -1.664
79 HH11 ARG 11 HH11 ARG 11 12.702 0.808 -2.660
80 HH12 ARG 11 HH12 ARG 11 13.500 0.890 -4.150
81 HH21 ARG 11 HH21 ARG 11 15.309 -2.147 -3.701
82 HH22 ARG 11 HH22 ARG 11 15.065 -0.844 -4.759
83 H ARG 12 H ARG 12 9.363 -4.412 0.668
84 HA ARG 12 HA ARG 12 8.569 -6.437 -1.276
85 HB2 ARG 12 HB2 ARG 12 8.670 -8.002 0.774
86 HB3 ARG 12 HB3 ARG 12 10.148 -7.679 -0.101
87 HG2 ARG 12 HG2 ARG 12 10.580 -5.886 1.646
88 HG3 ARG 12 HG3 ARG 12 9.244 -6.593 2.551
89 HD2 ARG 12 HD2 ARG 12 11.732 -8.067 1.671
90 HD3 ARG 12 HD3 ARG 12 11.467 -7.429 3.288
91 HE ARG 12 HE ARG 12 9.362 -9.157 2.538
92 HH11 ARG 12 HH11 ARG 12 12.733 -9.253 3.620
93 HH12 ARG 12 HH12 ARG 12 12.607 -10.832 4.263
94 HH21 ARG 12 HH21 ARG 12 9.214 -11.291 3.446
95 HH22 ARG 12 HH22 ARG 12 10.584 -11.985 4.184
96 H ASP 13 H ASP 13 6.644 -7.568 -0.683
97 HA ASP 13 HA ASP 13 4.610 -5.721 -0.210
98 HB2 ASP 13 HB2 ASP 13 4.705 -8.695 -0.423
99 HB3 ASP 13 HB3 ASP 13 3.229 -7.823 -0.100
100 H SER 14 H SER 14 6.259 -7.901 1.797
101 HA SER 14 HA SER 14 4.534 -8.017 4.006
102 HB2 SER 14 HB2 SER 14 6.705 -8.533 5.221
103 HB3 SER 14 HB3 SER 14 6.250 -9.604 3.887
104 HG SER 14 HG SER 14 8.322 -7.809 4.128
105 H ASP 15 H ASP 15 6.689 -5.526 2.907
106 HA ASP 15 HA ASP 15 6.974 -4.074 5.350
107 HB2 ASP 15 HB2 ASP 15 7.054 -3.068 2.496
108 HB3 ASP 15 HB3 ASP 15 7.432 -2.078 3.894
109 H CYS 16 H CYS 16 4.357 -4.623 3.342
110 HA CYS 16 HA CYS 16 3.017 -2.187 4.122
111 HB2 CYS 16 HB2 CYS 16 2.372 -4.240 2.030
112 HB3 CYS 16 HB3 CYS 16 1.639 -2.648 2.226
113 HA PRO 17 HA PRO 17 0.970 -5.110 6.890
114 HB2 PRO 17 HB2 PRO 17 -0.054 -3.310 8.584
115 HB3 PRO 17 HB3 PRO 17 1.672 -3.697 8.584
116 HG2 PRO 17 HG2 PRO 17 0.250 -1.348 7.403
117 HG3 PRO 17 HG3 PRO 17 1.799 -1.402 8.264
118 HD2 PRO 17 HD2 PRO 17 1.533 -1.315 5.519
119 HD3 PRO 17 HD3 PRO 17 2.957 -1.940 6.371
120 H GLY 18 H GLY 18 -1.330 -5.133 7.864
121 HA2 GLY 18 HA2 GLY 18 -3.591 -5.134 7.633
122 HA3 GLY 18 HA3 GLY 18 -3.417 -3.634 6.735
123 H ALA 19 H ALA 19 -3.970 -3.661 4.687
124 HA ALA 19 HA ALA 19 -4.069 -6.220 3.275
125 HB1 ALA 19 HB1 ALA 19 -6.031 -3.926 3.067
126 HB2 ALA 19 HB2 ALA 19 -6.333 -5.462 3.878
127 HB3 ALA 19 HB3 ALA 19 -6.084 -5.423 2.134
128 H CYS 20 H CYS 20 -2.185 -3.809 3.562
129 HA CYS 20 HA CYS 20 -2.208 -2.691 0.936
130 HB2 CYS 20 HB2 CYS 20 -0.214 -2.455 3.172
131 HB3 CYS 20 HB3 CYS 20 -0.256 -1.486 1.712
132 H ILE 21 H ILE 21 -0.750 -3.099 -0.573
133 HA ILE 21 HA ILE 21 1.133 -5.301 -0.166
134 HB ILE 21 HB ILE 21 0.856 -5.901 -2.528
135 HG12 ILE 21 HG12 ILE 21 -1.372 -3.846 -2.637
136 HG13 ILE 21 HG13 ILE 21 0.228 -3.614 -3.327
137 HG21 ILE 21 HG21 ILE 21 -0.567 -7.062 -0.934
138 HG22 ILE 21 HG22 ILE 21 -1.432 -6.831 -2.454
139 HG23 ILE 21 HG23 ILE 21 -1.788 -5.798 -1.073
140 HD11 ILE 21 HD11 ILE 21 -0.148 -5.504 -4.811
141 HD12 ILE 21 HD12 ILE 21 -1.368 -4.244 -5.030
142 HD13 ILE 21 HD13 ILE 21 -1.761 -5.717 -4.133
143 H CYS 22 H CYS 22 2.848 -5.064 -2.045
144 HA CYS 22 HA CYS 22 3.767 -2.324 -1.804
145 HB2 CYS 22 HB2 CYS 22 5.346 -4.159 -1.286
146 HB3 CYS 22 HB3 CYS 22 5.182 -4.782 -2.922
147 H ARG 23 H ARG 23 3.010 -0.991 -3.290
148 HA ARG 23 HA ARG 23 2.046 -1.989 -5.787
149 HB2 ARG 23 HB2 ARG 23 2.244 0.807 -4.724
150 HB3 ARG 23 HB3 ARG 23 1.405 0.297 -6.165
151 HG2 ARG 23 HG2 ARG 23 -0.128 -1.050 -4.807
152 HG3 ARG 23 HG3 ARG 23 0.699 -0.491 -3.358
153 HD2 ARG 23 HD2 ARG 23 -1.376 0.814 -3.905
154 HD3 ARG 23 HD3 ARG 23 0.091 1.784 -3.757
155 HE ARG 23 HE ARG 23 -0.247 1.005 -6.423
156 HH11 ARG 23 HH11 ARG 23 -1.906 3.133 -4.124
157 HH12 ARG 23 HH12 ARG 23 -2.294 4.293 -5.301
158 HH21 ARG 23 HH21 ARG 23 -0.782 2.615 -8.004
159 HH22 ARG 23 HH22 ARG 23 -1.666 3.986 -7.561
160 H GLY 24 H GLY 24 2.607 -0.758 -7.780
161 HA2 GLY 24 HA2 GLY 24 5.408 -1.042 -8.312
162 HA3 GLY 24 HA3 GLY 24 4.181 -0.507 -9.450
163 H ASN 25 H ASN 25 3.742 1.449 -6.986
164 HA ASN 25 HA ASN 25 5.353 3.570 -8.144
165 HB2 ASN 25 HB2 ASN 25 4.026 5.090 -6.795
166 HB3 ASN 25 HB3 ASN 25 2.941 3.962 -7.594
167 HD21 ASN 25 HD21 ASN 25 2.273 5.505 -5.381
168 HD22 ASN 25 HD22 ASN 25 1.951 4.487 -4.041
169 H GLY 26 H GLY 26 5.437 1.359 -5.588
170 HA2 GLY 26 HA2 GLY 26 7.474 0.900 -4.479
171 HA3 GLY 26 HA3 GLY 26 7.928 2.592 -4.667
172 H TYR 27 H TYR 27 4.731 2.056 -3.767
173 HA TYR 27 HA TYR 27 5.327 2.675 -0.990
174 HB2 TYR 27 HB2 TYR 27 3.470 3.829 -2.946
175 HB3 TYR 27 HB3 TYR 27 3.034 3.906 -1.228
176 HD1 TYR 27 HD2 TYR 27 4.728 5.029 0.305
177 HD2 TYR 27 HD1 TYR 27 4.882 5.425 -3.918
178 HE1 TYR 27 HE2 TYR 27 6.101 7.018 0.558
179 HE2 TYR 27 HE1 TYR 27 6.272 7.434 -3.681
180 HH TYR 27 HH TYR 27 6.713 9.178 -1.937
181 H CYS 28 H CYS 28 3.845 1.987 0.478
182 HA CYS 28 HA CYS 28 2.535 -0.488 -0.126
183 HB2 CYS 28 HB2 CYS 28 2.806 1.152 2.378
184 HB3 CYS 28 HB3 CYS 28 1.908 -0.361 2.307
185 H GLY 29 H GLY 29 0.555 -0.598 -0.895
186 HA2 GLY 29 HA2 GLY 29 -1.409 1.248 0.154
187 HA3 GLY 29 HA3 GLY 29 -1.161 1.272 -1.592
188 H GLU 30 H GLU 30 -3.575 0.627 -0.389
189 HA GLU 30 HA GLU 30 -3.984 -2.099 -0.136
190 HB2 GLU 30 HB2 GLU 30 -5.464 -0.497 0.764
191 HB3 GLU 30 HB3 GLU 30 -5.874 0.165 -0.825
192 HG2 GLU 30 HG2 GLU 30 -7.096 -1.887 -1.300
193 HG3 GLU 30 HG3 GLU 30 -6.549 -2.576 0.230
194 H ALA 31 H ALA 31 -5.242 -3.402 -1.651
195 HA ALA 31 HA ALA 31 -3.760 -3.530 -4.090
196 HB1 ALA 31 HB1 ALA 31 -6.124 -5.193 -3.247
197 HB2 ALA 31 HB2 ALA 31 -4.431 -5.569 -2.917
198 HB3 ALA 31 HB3 ALA 31 -5.028 -5.544 -4.578
199 H ILE 32 H ILE 32 -7.187 -3.120 -3.407
200 HA ILE 32 HA ILE 32 -7.334 -1.714 -5.945
201 HB ILE 32 HB ILE 32 -9.613 -3.268 -4.691
202 HG12 ILE 32 HG12 ILE 32 -7.900 -4.061 -7.069
203 HG13 ILE 32 HG13 ILE 32 -7.864 -4.827 -5.487
204 HG21 ILE 32 HG21 ILE 32 -9.351 -1.971 -7.404
205 HG22 ILE 32 HG22 ILE 32 -10.359 -1.413 -6.068
206 HG23 ILE 32 HG23 ILE 32 -10.726 -2.938 -6.874
207 HD11 ILE 32 HD11 ILE 32 -9.112 -6.165 -7.081
208 HD12 ILE 32 HD12 ILE 32 -10.190 -4.808 -7.399
209 HD13 ILE 32 HD13 ILE 32 -10.178 -5.567 -5.808
210 H TYR 33 H TYR 33 -8.415 0.214 -5.801
211 HA TYR 33 HA TYR 33 -8.889 1.086 -3.090
212 HB2 TYR 33 HB2 TYR 33 -8.183 2.581 -5.590
213 HB3 TYR 33 HB3 TYR 33 -8.769 3.382 -4.142
214 HD1 TYR 33 HD2 TYR 33 -6.010 1.338 -5.534
215 HD2 TYR 33 HD1 TYR 33 -7.325 3.759 -2.298
216 HE1 TYR 33 HE2 TYR 33 -3.729 1.408 -4.669
217 HE2 TYR 33 HE1 TYR 33 -5.048 3.843 -1.425
218 HH TYR 33 HH TYR 33 -2.978 2.669 -1.547
219 H ALA 34 H ALA 34 -10.911 0.100 -3.025
220 HA ALA 34 HA ALA 34 -12.930 1.940 -4.031
221 HB1 ALA 34 HB1 ALA 34 -14.470 0.080 -4.429
222 HB2 ALA 34 HB2 ALA 34 -13.208 -1.067 -3.979
223 HB3 ALA 34 HB3 ALA 34 -13.021 -0.065 -5.421
224 H ALA 35 H ALA 35 -13.380 -0.983 -2.155
225 HA ALA 35 HA ALA 35 -14.460 0.528 0.043
226 HB1 ALA 35 HB1 ALA 35 -15.469 -1.605 -0.608
227 HB2 ALA 35 HB2 ALA 35 -14.849 -1.682 1.041
228 HB3 ALA 35 HB3 ALA 35 -13.949 -2.434 -0.276
229 HA PRO 36 HA PRO 36 -10.309 0.656 1.740
230 HB2 PRO 36 HB2 PRO 36 -10.887 2.161 3.935
231 HB3 PRO 36 HB3 PRO 36 -10.670 2.856 2.327
232 HG2 PRO 36 HG2 PRO 36 -13.181 2.299 3.828
233 HG3 PRO 36 HG3 PRO 36 -12.806 3.632 2.724
234 HD2 PRO 36 HD2 PRO 36 -14.305 1.412 2.060
235 HD3 PRO 36 HD3 PRO 36 -13.452 2.436 0.891
236 H PHE 37 H PHE 37 -9.535 -1.075 2.772
237 HA PHE 37 HA PHE 37 -11.087 -2.099 5.040
238 HB2 PHE 37 HB2 PHE 37 -10.879 -3.721 3.146
239 HB3 PHE 37 HB3 PHE 37 -9.128 -3.628 3.289
240 HD1 PHE 37 HD1 PHE 37 -7.998 -4.628 5.269
241 HD2 PHE 37 HD2 PHE 37 -12.191 -5.039 4.641
242 HE1 PHE 37 HE1 PHE 37 -8.063 -6.459 6.905
243 HE2 PHE 37 HE2 PHE 37 -12.257 -6.865 6.278
244 HZ PHE 37 HZ PHE 37 -10.190 -7.577 7.416
245 H ALA 38 H ALA 38 -7.861 -1.800 3.697
246 HA ALA 38 HA ALA 38 -6.899 -0.682 6.121
247 HB1 ALA 38 HB1 ALA 38 -6.793 -3.036 6.713
248 HB2 ALA 38 HB2 ALA 38 -5.165 -2.370 6.504
249 HB3 ALA 38 HB3 ALA 38 -5.874 -3.378 5.248
250 H ARG 39 H ARG 39 -6.504 0.960 4.745
251 HA ARG 39 HA ARG 39 -4.545 0.579 2.633
252 HB2 ARG 39 HB2 ARG 39 -6.129 2.979 3.485
253 HB3 ARG 39 HB3 ARG 39 -5.001 2.958 2.136
254 HG2 ARG 39 HG2 ARG 39 -6.311 1.257 1.043
255 HG3 ARG 39 HG3 ARG 39 -7.426 1.216 2.407
256 HD2 ARG 39 HD2 ARG 39 -8.048 3.488 1.956
257 HD3 ARG 39 HD3 ARG 39 -6.904 3.564 0.602
258 HE ARG 39 HE ARG 39 -8.525 1.359 0.218
259 HH11 ARG 39 HH11 ARG 39 -8.975 4.874 0.310
260 HH12 ARG 39 HH12 ARG 39 -10.300 4.825 -0.764
261 HH21 ARG 39 HH21 ARG 39 -10.241 1.318 -1.103
262 HH22 ARG 39 HH22 ARG 39 -11.076 2.758 -1.594
Start of MODEL 15
1 H1 CYS 1 H CYS 1 -5.203 -0.147 5.019
2 HA CYS 1 HA CYS 1 -3.450 1.810 5.907
3 HB2 CYS 1 HB2 CYS 1 -1.787 -0.149 5.554
4 HB3 CYS 1 HB3 CYS 1 -3.091 -0.287 6.729
5 H GLU 2 H GLU 2 -4.183 2.711 3.367
6 HA GLU 2 HA GLU 2 -1.919 2.384 1.559
7 HB2 GLU 2 HB2 GLU 2 -4.296 2.359 0.728
8 HB3 GLU 2 HB3 GLU 2 -4.493 3.994 1.319
9 HG2 GLU 2 HG2 GLU 2 -2.828 4.773 -0.301
10 HG3 GLU 2 HG3 GLU 2 -2.633 3.126 -0.902
11 H ALA 3 H ALA 3 -1.274 4.708 0.614
12 HA ALA 3 HA ALA 3 -0.199 6.318 2.631
13 HB1 ALA 3 HB1 ALA 3 0.788 6.137 0.389
14 HB2 ALA 3 HB2 ALA 3 0.398 7.817 0.780
15 HB3 ALA 3 HB3 ALA 3 -0.649 6.893 -0.296
16 H ILE 4 H ILE 4 -1.673 7.010 3.906
17 HA ILE 4 HA ILE 4 -3.733 8.853 2.864
18 HB ILE 4 HB ILE 4 -3.621 7.619 5.635
19 HG12 ILE 4 HG12 ILE 4 -5.431 6.890 3.328
20 HG13 ILE 4 HG13 ILE 4 -4.049 5.934 3.858
21 HG21 ILE 4 HG21 ILE 4 -4.789 9.768 5.567
22 HG22 ILE 4 HG22 ILE 4 -5.909 8.442 5.880
23 HG23 ILE 4 HG23 ILE 4 -5.835 9.164 4.277
24 HD11 ILE 4 HD11 ILE 4 -5.135 5.617 6.028
25 HD12 ILE 4 HD12 ILE 4 -6.123 5.015 4.698
26 HD13 ILE 4 HD13 ILE 4 -6.513 6.559 5.461
27 H TYR 5 H TYR 5 -1.885 8.456 5.759
28 HA TYR 5 HA TYR 5 -1.724 11.302 6.292
29 HB2 TYR 5 HB2 TYR 5 -2.233 9.802 8.072
30 HB3 TYR 5 HB3 TYR 5 -0.906 8.767 7.656
31 HD1 TYR 5 HD1 TYR 5 -1.472 12.284 8.839
32 HD2 TYR 5 HD2 TYR 5 1.040 8.855 8.837
33 HE1 TYR 5 HE1 TYR 5 -0.012 13.342 10.497
34 HE2 TYR 5 HE2 TYR 5 2.502 9.900 10.482
35 HH TYR 5 HH TYR 5 3.071 12.182 11.261
36 H ALA 6 H ALA 6 0.114 8.603 5.443
37 HA ALA 6 HA ALA 6 2.347 10.275 4.614
38 HB1 ALA 6 HB1 ALA 6 2.706 7.984 6.547
39 HB2 ALA 6 HB2 ALA 6 2.912 9.695 6.919
40 HB3 ALA 6 HB3 ALA 6 4.004 8.901 5.784
41 H ALA 7 H ALA 7 3.439 9.423 2.940
42 HA ALA 7 HA ALA 7 2.330 7.145 1.616
43 HB1 ALA 7 HB1 ALA 7 4.687 8.905 0.921
44 HB2 ALA 7 HB2 ALA 7 3.034 9.111 0.343
45 HB3 ALA 7 HB3 ALA 7 3.968 7.693 -0.139
46 HA PRO 8 HA PRO 8 5.422 4.740 3.854
47 HB2 PRO 8 HB2 PRO 8 3.923 2.357 3.476
48 HB3 PRO 8 HB3 PRO 8 3.979 3.357 4.929
49 HG2 PRO 8 HG2 PRO 8 1.748 3.011 3.281
50 HG3 PRO 8 HG3 PRO 8 1.964 4.299 4.473
51 HD2 PRO 8 HD2 PRO 8 2.354 4.372 1.519
52 HD3 PRO 8 HD3 PRO 8 1.749 5.619 2.633
53 H LYS 9 H LYS 9 7.139 4.248 2.745
54 HA LYS 9 HA LYS 9 7.015 3.222 0.038
55 HB2 LYS 9 HB2 LYS 9 9.524 3.365 0.210
56 HB3 LYS 9 HB3 LYS 9 8.680 4.888 0.454
57 HG2 LYS 9 HG2 LYS 9 8.916 4.562 2.900
58 HG3 LYS 9 HG3 LYS 9 9.871 3.116 2.574
59 HD2 LYS 9 HD2 LYS 9 11.543 4.435 1.446
60 HD3 LYS 9 HD3 LYS 9 10.551 5.888 1.607
61 HE2 LYS 9 HE2 LYS 9 10.688 5.677 4.053
62 HE3 LYS 9 HE3 LYS 9 11.714 4.260 3.845
63 HZ1 LYS 9 HZ1 LYS 9 12.361 6.990 2.909
64 HZ2 LYS 9 HZ2 LYS 9 13.359 5.636 2.784
65 HZ3 LYS 9 HZ3 LYS 9 12.975 6.268 4.302
66 H CYS 10 H CYS 10 8.100 1.262 -0.615
67 HA CYS 10 HA CYS 10 8.463 -0.719 1.499
68 HB2 CYS 10 HB2 CYS 10 7.011 -2.291 0.209
69 HB3 CYS 10 HB3 CYS 10 6.143 -0.945 0.944
70 H ARG 11 H ARG 11 9.490 -2.621 0.742
71 HA ARG 11 HA ARG 11 10.724 -2.489 -1.937
72 HB2 ARG 11 HB2 ARG 11 11.807 -3.763 0.597
73 HB3 ARG 11 HB3 ARG 11 12.571 -3.849 -0.982
74 HG2 ARG 11 HG2 ARG 11 12.885 -1.425 -0.954
75 HG3 ARG 11 HG3 ARG 11 12.129 -1.356 0.640
76 HD2 ARG 11 HD2 ARG 11 13.891 -2.768 1.551
77 HD3 ARG 11 HD3 ARG 11 14.624 -2.899 -0.045
78 HE ARG 11 HE ARG 11 14.302 -0.206 0.834
79 HH11 ARG 11 HH11 ARG 11 16.432 -3.029 1.039
80 HH12 ARG 11 HH12 ARG 11 17.833 -2.105 1.324
81 HH21 ARG 11 HH21 ARG 11 16.244 1.029 1.196
82 HH22 ARG 11 HH22 ARG 11 17.742 0.228 1.384
83 H ARG 12 H ARG 12 9.403 -4.396 0.674
84 HA ARG 12 HA ARG 12 8.614 -6.452 -1.214
85 HB2 ARG 12 HB2 ARG 12 8.599 -7.916 0.905
86 HB3 ARG 12 HB3 ARG 12 10.127 -7.599 0.112
87 HG2 ARG 12 HG2 ARG 12 10.406 -5.706 1.833
88 HG3 ARG 12 HG3 ARG 12 9.025 -6.415 2.663
89 HD2 ARG 12 HD2 ARG 12 11.597 -7.862 2.034
90 HD3 ARG 12 HD3 ARG 12 11.214 -7.126 3.585
91 HE ARG 12 HE ARG 12 9.144 -8.797 3.077
92 HH11 ARG 12 HH11 ARG 12 12.646 -9.193 3.376
93 HH12 ARG 12 HH12 ARG 12 12.569 -10.764 4.003
94 HH21 ARG 12 HH21 ARG 12 9.043 -11.011 3.894
95 HH22 ARG 12 HH22 ARG 12 10.480 -11.822 4.299
96 H ASP 13 H ASP 13 6.617 -7.473 -0.721
97 HA ASP 13 HA ASP 13 4.643 -5.519 -0.241
98 HB2 ASP 13 HB2 ASP 13 4.618 -8.453 -0.731
99 HB3 ASP 13 HB3 ASP 13 3.154 -7.581 -0.339
100 H SER 14 H SER 14 6.095 -7.926 1.608
101 HA SER 14 HA SER 14 4.361 -7.935 3.809
102 HB2 SER 14 HB2 SER 14 6.465 -8.847 4.915
103 HB3 SER 14 HB3 SER 14 5.692 -9.750 3.582
104 HG SER 14 HG SER 14 7.333 -9.478 2.441
105 H ASP 15 H ASP 15 6.549 -5.622 2.778
106 HA ASP 15 HA ASP 15 7.101 -4.307 5.285
107 HB2 ASP 15 HB2 ASP 15 6.986 -3.161 2.480
108 HB3 ASP 15 HB3 ASP 15 7.259 -2.149 3.881
109 H CYS 16 H CYS 16 4.370 -4.559 3.238
110 HA CYS 16 HA CYS 16 3.110 -2.208 4.331
111 HB2 CYS 16 HB2 CYS 16 2.195 -4.134 2.209
112 HB3 CYS 16 HB3 CYS 16 1.561 -2.522 2.543
113 HA PRO 17 HA PRO 17 1.001 -5.059 7.094
114 HB2 PRO 17 HB2 PRO 17 -0.032 -3.245 8.745
115 HB3 PRO 17 HB3 PRO 17 1.713 -3.524 8.695
116 HG2 PRO 17 HG2 PRO 17 0.113 -1.324 7.454
117 HG3 PRO 17 HG3 PRO 17 1.677 -1.237 8.282
118 HD2 PRO 17 HD2 PRO 17 1.345 -1.318 5.531
119 HD3 PRO 17 HD3 PRO 17 2.831 -1.770 6.393
120 H GLY 18 H GLY 18 -1.365 -4.651 8.259
121 HA2 GLY 18 HA2 GLY 18 -3.627 -4.646 8.026
122 HA3 GLY 18 HA3 GLY 18 -3.419 -3.473 6.729
123 H ALA 19 H ALA 19 -3.978 -4.074 4.845
124 HA ALA 19 HA ALA 19 -3.707 -6.868 4.002
125 HB1 ALA 19 HB1 ALA 19 -6.126 -5.099 3.559
126 HB2 ALA 19 HB2 ALA 19 -6.062 -6.511 4.610
127 HB3 ALA 19 HB3 ALA 19 -5.894 -6.704 2.864
128 H CYS 20 H CYS 20 -2.308 -4.240 3.720
129 HA CYS 20 HA CYS 20 -2.805 -3.479 0.977
130 HB2 CYS 20 HB2 CYS 20 -1.134 -2.300 3.179
131 HB3 CYS 20 HB3 CYS 20 -1.324 -1.613 1.565
132 H ILE 21 H ILE 21 -1.124 -3.217 -0.489
133 HA ILE 21 HA ILE 21 1.027 -5.179 -0.174
134 HB ILE 21 HB ILE 21 0.820 -5.599 -2.632
135 HG12 ILE 21 HG12 ILE 21 -1.769 -4.038 -2.347
136 HG13 ILE 21 HG13 ILE 21 -0.363 -3.544 -3.278
137 HG21 ILE 21 HG21 ILE 21 -1.605 -6.272 -0.973
138 HG22 ILE 21 HG22 ILE 21 -0.099 -7.186 -1.062
139 HG23 ILE 21 HG23 ILE 21 -1.147 -7.073 -2.477
140 HD11 ILE 21 HD11 ILE 21 -2.129 -5.920 -3.839
141 HD12 ILE 21 HD12 ILE 21 -0.704 -5.472 -4.767
142 HD13 ILE 21 HD13 ILE 21 -2.105 -4.400 -4.735
143 H CYS 22 H CYS 22 2.638 -4.756 -2.091
144 HA CYS 22 HA CYS 22 3.427 -1.950 -1.828
145 HB2 CYS 22 HB2 CYS 22 5.014 -3.623 -0.994
146 HB3 CYS 22 HB3 CYS 22 5.011 -4.441 -2.549
147 H ARG 23 H ARG 23 2.836 -0.740 -3.543
148 HA ARG 23 HA ARG 23 2.203 -1.986 -6.040
149 HB2 ARG 23 HB2 ARG 23 2.081 0.887 -5.141
150 HB3 ARG 23 HB3 ARG 23 1.475 0.266 -6.665
151 HG2 ARG 23 HG2 ARG 23 -0.086 -1.182 -5.407
152 HG3 ARG 23 HG3 ARG 23 0.480 -0.445 -3.920
153 HD2 ARG 23 HD2 ARG 23 -0.276 1.737 -4.617
154 HD3 ARG 23 HD3 ARG 23 -0.740 1.113 -6.196
155 HE ARG 23 HE ARG 23 -2.302 -0.365 -4.788
156 HH11 ARG 23 HH11 ARG 23 -1.467 2.981 -3.907
157 HH12 ARG 23 HH12 ARG 23 -3.027 3.306 -3.298
158 HH21 ARG 23 HH21 ARG 23 -4.443 0.192 -3.865
159 HH22 ARG 23 HH22 ARG 23 -4.649 1.779 -3.227
160 H GLY 24 H GLY 24 2.896 -0.729 -8.050
161 HA2 GLY 24 HA2 GLY 24 5.717 -1.048 -8.312
162 HA3 GLY 24 HA3 GLY 24 4.604 -0.523 -9.564
163 H ASN 25 H ASN 25 4.046 1.497 -7.122
164 HA ASN 25 HA ASN 25 5.749 3.558 -8.244
165 HB2 ASN 25 HB2 ASN 25 4.399 5.120 -6.930
166 HB3 ASN 25 HB3 ASN 25 3.341 4.027 -7.807
167 HD21 ASN 25 HD21 ASN 25 2.612 5.558 -5.563
168 HD22 ASN 25 HD22 ASN 25 2.189 4.488 -4.295
169 H GLY 26 H GLY 26 5.665 1.387 -5.639
170 HA2 GLY 26 HA2 GLY 26 7.677 0.898 -4.450
171 HA3 GLY 26 HA3 GLY 26 8.150 2.584 -4.628
172 H TYR 27 H TYR 27 4.897 2.071 -3.875
173 HA TYR 27 HA TYR 27 5.376 2.659 -1.075
174 HB2 TYR 27 HB2 TYR 27 3.533 3.797 -3.076
175 HB3 TYR 27 HB3 TYR 27 3.274 4.046 -1.339
176 HD1 TYR 27 HD2 TYR 27 5.237 5.209 -0.108
177 HD2 TYR 27 HD1 TYR 27 4.815 5.227 -4.325
178 HE1 TYR 27 HE2 TYR 27 6.688 7.159 -0.237
179 HE2 TYR 27 HE1 TYR 27 6.274 7.184 -4.478
180 HH TYR 27 HH TYR 27 8.150 8.261 -1.898
181 H CYS 28 H CYS 28 3.734 2.003 0.244
182 HA CYS 28 HA CYS 28 2.351 -0.395 -0.483
183 HB2 CYS 28 HB2 CYS 28 2.331 1.253 2.047
184 HB3 CYS 28 HB3 CYS 28 1.545 -0.311 1.859
185 H GLY 29 H GLY 29 0.183 -0.622 -0.778
186 HA2 GLY 29 HA2 GLY 29 -1.556 1.583 -0.289
187 HA3 GLY 29 HA3 GLY 29 -1.339 1.157 -1.993
188 H GLU 30 H GLU 30 -3.809 0.904 -0.954
189 HA GLU 30 HA GLU 30 -4.291 -1.570 0.191
190 HB2 GLU 30 HB2 GLU 30 -5.783 0.342 0.268
191 HB3 GLU 30 HB3 GLU 30 -6.153 0.172 -1.452
192 HG2 GLU 30 HG2 GLU 30 -7.173 -1.982 -0.960
193 HG3 GLU 30 HG3 GLU 30 -6.717 -1.812 0.733
194 H ALA 31 H ALA 31 -5.587 -3.267 -0.956
195 HA ALA 31 HA ALA 31 -4.018 -4.234 -3.165
196 HB1 ALA 31 HB1 ALA 31 -4.951 -5.792 -1.502
197 HB2 ALA 31 HB2 ALA 31 -5.464 -6.206 -3.135
198 HB3 ALA 31 HB3 ALA 31 -6.579 -5.387 -2.045
199 H ILE 32 H ILE 32 -6.944 -2.570 -2.778
200 HA ILE 32 HA ILE 32 -7.718 -2.912 -5.534
201 HB ILE 32 HB ILE 32 -9.038 -1.227 -3.393
202 HG12 ILE 32 HG12 ILE 32 -9.707 -4.080 -4.185
203 HG13 ILE 32 HG13 ILE 32 -8.918 -3.605 -2.686
204 HG21 ILE 32 HG21 ILE 32 -11.043 -1.451 -4.814
205 HG22 ILE 32 HG22 ILE 32 -10.079 -2.324 -6.007
206 HG23 ILE 32 HG23 ILE 32 -9.715 -0.636 -5.638
207 HD11 ILE 32 HD11 ILE 32 -11.275 -4.096 -2.350
208 HD12 ILE 32 HD12 ILE 32 -11.704 -2.863 -3.537
209 HD13 ILE 32 HD13 ILE 32 -10.933 -2.397 -2.020
210 H TYR 33 H TYR 33 -7.586 -1.120 -6.940
211 HA TYR 33 HA TYR 33 -5.548 0.785 -6.181
212 HB2 TYR 33 HB2 TYR 33 -5.610 -0.388 -8.438
213 HB3 TYR 33 HB3 TYR 33 -6.971 0.645 -8.848
214 HD1 TYR 33 HD2 TYR 33 -3.422 0.767 -7.758
215 HD2 TYR 33 HD1 TYR 33 -6.579 2.772 -9.791
216 HE1 TYR 33 HE2 TYR 33 -1.845 2.487 -8.486
217 HE2 TYR 33 HE1 TYR 33 -5.000 4.502 -10.529
218 HH TYR 33 HH TYR 33 -1.654 4.148 -10.326
219 H ALA 34 H ALA 34 -8.951 0.777 -6.853
220 HA ALA 34 HA ALA 34 -9.071 3.591 -6.039
221 HB1 ALA 34 HB1 ALA 34 -11.184 1.906 -7.418
222 HB2 ALA 34 HB2 ALA 34 -10.179 3.127 -8.197
223 HB3 ALA 34 HB3 ALA 34 -11.359 3.604 -6.974
224 H ALA 35 H ALA 35 -8.803 3.227 -3.884
225 HA ALA 35 HA ALA 35 -9.951 1.203 -2.376
226 HB1 ALA 35 HB1 ALA 35 -8.011 2.480 -1.647
227 HB2 ALA 35 HB2 ALA 35 -9.284 2.517 -0.427
228 HB3 ALA 35 HB3 ALA 35 -9.012 3.917 -1.463
229 HA PRO 36 HA PRO 36 -14.266 2.407 -2.030
230 HB2 PRO 36 HB2 PRO 36 -13.886 0.756 0.428
231 HB3 PRO 36 HB3 PRO 36 -15.176 0.692 -0.783
232 HG2 PRO 36 HG2 PRO 36 -13.285 -1.141 -0.823
233 HG3 PRO 36 HG3 PRO 36 -13.855 -0.408 -2.331
234 HD2 PRO 36 HD2 PRO 36 -11.315 0.113 -0.838
235 HD3 PRO 36 HD3 PRO 36 -11.621 0.031 -2.584
236 H PHE 37 H PHE 37 -11.989 2.537 0.702
237 HA PHE 37 HA PHE 37 -13.229 5.070 1.347
238 HB2 PHE 37 HB2 PHE 37 -14.160 3.381 2.935
239 HB3 PHE 37 HB3 PHE 37 -12.526 2.982 3.439
240 HD1 PHE 37 HD1 PHE 37 -15.169 5.504 3.520
241 HD2 PHE 37 HD2 PHE 37 -11.297 4.443 4.922
242 HE1 PHE 37 HE1 PHE 37 -15.291 7.281 5.204
243 HE2 PHE 37 HE2 PHE 37 -11.415 6.223 6.602
244 HZ PHE 37 HZ PHE 37 -13.408 7.641 6.750
245 H ALA 38 H ALA 38 -10.763 3.125 2.906
246 HA ALA 38 HA ALA 38 -8.478 3.896 1.737
247 HB1 ALA 38 HB1 ALA 38 -9.012 6.265 2.242
248 HB2 ALA 38 HB2 ALA 38 -7.542 5.711 3.037
249 HB3 ALA 38 HB3 ALA 38 -9.038 5.874 3.969
250 H ARG 39 H ARG 39 -8.232 1.783 2.457
251 HA ARG 39 HA ARG 39 -7.785 1.358 5.267
252 HB2 ARG 39 HB2 ARG 39 -7.362 -0.333 2.816
253 HB3 ARG 39 HB3 ARG 39 -6.682 -0.872 4.338
254 HG2 ARG 39 HG2 ARG 39 -8.924 -0.778 5.355
255 HG3 ARG 39 HG3 ARG 39 -9.575 -0.293 3.791
256 HD2 ARG 39 HD2 ARG 39 -8.060 -2.850 4.227
257 HD3 ARG 39 HD3 ARG 39 -9.817 -2.732 4.357
258 HE ARG 39 HE ARG 39 -8.924 -1.653 1.934
259 HH11 ARG 39 HH11 ARG 39 -9.292 -4.828 3.492
260 HH12 ARG 39 HH12 ARG 39 -9.675 -5.628 2.044
261 HH21 ARG 39 HH21 ARG 39 -9.409 -2.757 -0.017
262 HH22 ARG 39 HH22 ARG 39 -9.708 -4.450 -0.016
Start of MODEL 16
1 H1 CYS 1 H CYS 1 -7.047 0.691 2.075
2 HA CYS 1 HA CYS 1 -4.891 1.453 3.891
3 HB2 CYS 1 HB2 CYS 1 -4.668 1.296 0.868
4 HB3 CYS 1 HB3 CYS 1 -3.364 1.503 2.028
5 H GLU 2 H GLU 2 -5.558 3.369 4.415
6 HA GLU 2 HA GLU 2 -7.232 4.919 2.619
7 HB2 GLU 2 HB2 GLU 2 -7.697 4.682 5.066
8 HB3 GLU 2 HB3 GLU 2 -6.254 5.627 5.383
9 HG2 GLU 2 HG2 GLU 2 -7.216 7.524 4.232
10 HG3 GLU 2 HG3 GLU 2 -8.656 6.580 3.849
11 H ALA 3 H ALA 3 -4.035 4.901 3.923
12 HA ALA 3 HA ALA 3 -3.446 7.394 2.622
13 HB1 ALA 3 HB1 ALA 3 -2.484 6.985 4.824
14 HB2 ALA 3 HB2 ALA 3 -1.223 7.135 3.601
15 HB3 ALA 3 HB3 ALA 3 -1.676 5.542 4.209
16 H ILE 4 H ILE 4 -3.669 6.886 0.519
17 HA ILE 4 HA ILE 4 -1.948 4.769 -0.563
18 HB ILE 4 HB ILE 4 -4.200 6.275 -1.968
19 HG12 ILE 4 HG12 ILE 4 -4.114 3.434 -0.924
20 HG13 ILE 4 HG13 ILE 4 -4.969 4.763 -0.159
21 HG21 ILE 4 HG21 ILE 4 -2.594 3.894 -2.904
22 HG22 ILE 4 HG22 ILE 4 -2.490 5.531 -3.549
23 HG23 ILE 4 HG23 ILE 4 -3.976 4.600 -3.743
24 HD11 ILE 4 HD11 ILE 4 -6.436 4.936 -2.099
25 HD12 ILE 4 HD12 ILE 4 -6.472 3.310 -1.412
26 HD13 ILE 4 HD13 ILE 4 -5.551 3.628 -2.883
27 H TYR 5 H TYR 5 -2.588 8.163 -0.639
28 HA TYR 5 HA TYR 5 -0.482 8.713 -2.572
29 HB2 TYR 5 HB2 TYR 5 -2.582 10.021 -2.524
30 HB3 TYR 5 HB3 TYR 5 -2.236 10.505 -0.881
31 HD1 TYR 5 HD1 TYR 5 -1.059 10.854 -4.373
32 HD2 TYR 5 HD2 TYR 5 -0.884 12.386 -0.412
33 HE1 TYR 5 HE1 TYR 5 0.083 12.853 -5.200
34 HE2 TYR 5 HE2 TYR 5 0.265 14.385 -1.224
35 HH TYR 5 HH TYR 5 1.673 14.989 -3.169
36 H ALA 6 H ALA 6 -1.285 9.104 0.764
37 HA ALA 6 HA ALA 6 1.421 9.994 1.500
38 HB1 ALA 6 HB1 ALA 6 0.405 10.481 3.690
39 HB2 ALA 6 HB2 ALA 6 -1.116 9.792 3.128
40 HB3 ALA 6 HB3 ALA 6 -0.489 11.264 2.385
41 H ALA 7 H ALA 7 1.005 7.432 0.568
42 HA ALA 7 HA ALA 7 0.739 5.465 2.623
43 HB1 ALA 7 HB1 ALA 7 1.756 5.303 -0.203
44 HB2 ALA 7 HB2 ALA 7 0.099 5.019 0.326
45 HB3 ALA 7 HB3 ALA 7 1.389 3.924 0.830
46 HA PRO 8 HA PRO 8 5.095 5.325 3.643
47 HB2 PRO 8 HB2 PRO 8 5.273 2.830 4.642
48 HB3 PRO 8 HB3 PRO 8 4.424 4.111 5.517
49 HG2 PRO 8 HG2 PRO 8 3.303 1.921 3.817
50 HG3 PRO 8 HG3 PRO 8 2.730 2.518 5.383
51 HD2 PRO 8 HD2 PRO 8 1.621 3.253 3.003
52 HD3 PRO 8 HD3 PRO 8 1.627 4.293 4.439
53 H LYS 9 H LYS 9 7.014 4.139 2.995
54 HA LYS 9 HA LYS 9 6.793 3.170 0.278
55 HB2 LYS 9 HB2 LYS 9 9.160 3.629 2.089
56 HB3 LYS 9 HB3 LYS 9 9.289 3.004 0.453
57 HG2 LYS 9 HG2 LYS 9 8.287 5.070 -0.401
58 HG3 LYS 9 HG3 LYS 9 8.187 5.689 1.243
59 HD2 LYS 9 HD2 LYS 9 10.573 5.609 1.483
60 HD3 LYS 9 HD3 LYS 9 10.748 4.832 -0.091
61 HE2 LYS 9 HE2 LYS 9 11.298 7.203 -0.222
62 HE3 LYS 9 HE3 LYS 9 9.864 6.838 -1.176
63 HZ1 LYS 9 HZ1 LYS 9 9.639 8.872 0.127
64 HZ2 LYS 9 HZ2 LYS 9 9.810 8.001 1.562
65 HZ3 LYS 9 HZ3 LYS 9 8.487 7.738 0.558
66 H CYS 10 H CYS 10 7.317 1.191 -0.407
67 HA CYS 10 HA CYS 10 7.507 -0.888 1.654
68 HB2 CYS 10 HB2 CYS 10 6.277 -2.320 0.073
69 HB3 CYS 10 HB3 CYS 10 5.334 -0.931 0.606
70 H ARG 11 H ARG 11 8.872 -2.569 1.216
71 HA ARG 11 HA ARG 11 10.566 -2.246 -1.154
72 HB2 ARG 11 HB2 ARG 11 11.148 -3.585 1.504
73 HB3 ARG 11 HB3 ARG 11 12.202 -3.725 0.116
74 HG2 ARG 11 HG2 ARG 11 13.143 -2.079 1.587
75 HG3 ARG 11 HG3 ARG 11 12.516 -1.235 0.178
76 HD2 ARG 11 HD2 ARG 11 10.493 -0.634 1.493
77 HD3 ARG 11 HD3 ARG 11 11.199 -1.419 2.902
78 HE ARG 11 HE ARG 11 12.951 0.514 1.793
79 HH11 ARG 11 HH11 ARG 11 10.032 0.294 3.837
80 HH12 ARG 11 HH12 ARG 11 10.348 1.748 4.658
81 HH21 ARG 11 HH21 ARG 11 13.341 2.528 2.957
82 HH22 ARG 11 HH22 ARG 11 12.258 3.031 4.150
83 H ARG 12 H ARG 12 8.604 -4.310 0.778
84 HA ARG 12 HA ARG 12 7.922 -5.927 -1.514
85 HB2 ARG 12 HB2 ARG 12 7.862 -7.949 -0.153
86 HB3 ARG 12 HB3 ARG 12 9.505 -7.442 -0.491
87 HG2 ARG 12 HG2 ARG 12 8.040 -6.906 2.099
88 HG3 ARG 12 HG3 ARG 12 8.965 -8.373 1.821
89 HD2 ARG 12 HD2 ARG 12 10.039 -5.566 1.748
90 HD3 ARG 12 HD3 ARG 12 10.221 -6.700 3.087
91 HE ARG 12 HE ARG 12 11.128 -7.877 0.740
92 HH11 ARG 12 HH11 ARG 12 12.039 -5.329 3.011
93 HH12 ARG 12 HH12 ARG 12 13.700 -5.462 2.738
94 HH21 ARG 12 HH21 ARG 12 13.425 -8.082 0.373
95 HH22 ARG 12 HH22 ARG 12 14.534 -7.070 1.177
96 H ASP 13 H ASP 13 5.987 -7.112 -1.132
97 HA ASP 13 HA ASP 13 3.953 -5.392 -0.363
98 HB2 ASP 13 HB2 ASP 13 3.991 -8.371 -0.750
99 HB3 ASP 13 HB3 ASP 13 2.566 -7.372 -0.618
100 H SER 14 H SER 14 5.578 -7.968 1.194
101 HA SER 14 HA SER 14 3.773 -8.276 3.335
102 HB2 SER 14 HB2 SER 14 5.741 -9.485 4.350
103 HB3 SER 14 HB3 SER 14 4.997 -10.119 2.865
104 HG SER 14 HG SER 14 6.846 -9.886 1.931
105 H ASP 15 H ASP 15 6.185 -5.986 2.799
106 HA ASP 15 HA ASP 15 6.259 -5.428 5.672
107 HB2 ASP 15 HB2 ASP 15 7.971 -3.768 5.395
108 HB3 ASP 15 HB3 ASP 15 8.448 -5.208 4.521
109 H CYS 16 H CYS 16 4.071 -4.819 3.500
110 HA CYS 16 HA CYS 16 3.597 -2.093 4.267
111 HB2 CYS 16 HB2 CYS 16 2.169 -4.020 2.461
112 HB3 CYS 16 HB3 CYS 16 1.520 -2.438 2.875
113 HA PRO 17 HA PRO 17 1.155 -2.824 7.841
114 HB2 PRO 17 HB2 PRO 17 -0.816 -0.918 7.438
115 HB3 PRO 17 HB3 PRO 17 0.773 -0.594 8.137
116 HG2 PRO 17 HG2 PRO 17 -0.166 -0.236 5.318
117 HG3 PRO 17 HG3 PRO 17 0.852 0.834 6.300
118 HD2 PRO 17 HD2 PRO 17 1.935 -0.725 4.449
119 HD3 PRO 17 HD3 PRO 17 2.738 -0.505 6.018
120 H GLY 18 H GLY 18 -0.270 -4.286 8.317
121 HA2 GLY 18 HA2 GLY 18 -2.093 -5.613 8.324
122 HA3 GLY 18 HA3 GLY 18 -2.882 -4.428 7.293
123 H ALA 19 H ALA 19 -3.233 -4.933 5.265
124 HA ALA 19 HA ALA 19 -1.777 -7.191 4.132
125 HB1 ALA 19 HB1 ALA 19 -4.756 -6.736 3.926
126 HB2 ALA 19 HB2 ALA 19 -3.961 -7.985 4.883
127 HB3 ALA 19 HB3 ALA 19 -3.848 -8.017 3.122
128 H CYS 20 H CYS 20 -1.836 -4.065 3.899
129 HA CYS 20 HA CYS 20 -2.663 -3.469 1.283
130 HB2 CYS 20 HB2 CYS 20 -0.487 -2.246 2.989
131 HB3 CYS 20 HB3 CYS 20 -1.041 -1.579 1.471
132 H ILE 21 H ILE 21 -1.359 -3.270 -0.598
133 HA ILE 21 HA ILE 21 0.854 -5.206 -0.599
134 HB ILE 21 HB ILE 21 0.552 -5.463 -3.010
135 HG12 ILE 21 HG12 ILE 21 -1.831 -3.603 -2.754
136 HG13 ILE 21 HG13 ILE 21 -0.285 -3.151 -3.458
137 HG21 ILE 21 HG21 ILE 21 -0.683 -6.941 -1.562
138 HG22 ILE 21 HG22 ILE 21 -1.638 -6.588 -3.003
139 HG23 ILE 21 HG23 ILE 21 -2.015 -5.796 -1.470
140 HD11 ILE 21 HD11 ILE 21 -1.925 -3.657 -5.178
141 HD12 ILE 21 HD12 ILE 21 -2.152 -5.272 -4.506
142 HD13 ILE 21 HD13 ILE 21 -0.601 -4.820 -5.216
143 H CYS 22 H CYS 22 2.488 -4.711 -2.377
144 HA CYS 22 HA CYS 22 3.359 -1.950 -1.966
145 HB2 CYS 22 HB2 CYS 22 4.896 -3.763 -1.293
146 HB3 CYS 22 HB3 CYS 22 4.857 -4.416 -2.923
147 H ARG 23 H ARG 23 3.153 -0.547 -3.658
148 HA ARG 23 HA ARG 23 2.194 -1.619 -6.146
149 HB2 ARG 23 HB2 ARG 23 2.625 1.271 -5.453
150 HB3 ARG 23 HB3 ARG 23 1.544 0.577 -6.646
151 HG2 ARG 23 HG2 ARG 23 0.297 -0.466 -4.729
152 HG3 ARG 23 HG3 ARG 23 1.270 0.539 -3.663
153 HD2 ARG 23 HD2 ARG 23 -0.759 1.390 -5.703
154 HD3 ARG 23 HD3 ARG 23 -0.735 1.734 -3.982
155 HE ARG 23 HE ARG 23 0.956 2.938 -6.029
156 HH11 ARG 23 HH11 ARG 23 0.047 3.048 -2.603
157 HH12 ARG 23 HH12 ARG 23 0.045 4.746 -2.540
158 HH21 ARG 23 HH21 ARG 23 0.973 5.299 -5.859
159 HH22 ARG 23 HH22 ARG 23 0.588 6.047 -4.381
160 H GLY 24 H GLY 24 3.066 -0.508 -8.155
161 HA2 GLY 24 HA2 GLY 24 5.803 -1.198 -8.447
162 HA3 GLY 24 HA3 GLY 24 4.798 -0.434 -9.663
163 H ASN 25 H ASN 25 4.458 1.622 -7.293
164 HA ASN 25 HA ASN 25 6.620 3.327 -8.188
165 HB2 ASN 25 HB2 ASN 25 5.480 5.126 -7.036
166 HB3 ASN 25 HB3 ASN 25 4.317 4.216 -7.985
167 HD21 ASN 25 HD21 ASN 25 3.818 5.963 -5.781
168 HD22 ASN 25 HD22 ASN 25 3.036 5.021 -4.575
169 H GLY 26 H GLY 26 5.779 1.384 -5.462
170 HA2 GLY 26 HA2 GLY 26 7.553 0.634 -4.036
171 HA3 GLY 26 HA3 GLY 26 8.310 2.214 -4.212
172 H TYR 27 H TYR 27 4.932 2.177 -3.820
173 HA TYR 27 HA TYR 27 5.153 2.746 -0.971
174 HB2 TYR 27 HB2 TYR 27 3.672 4.055 -3.179
175 HB3 TYR 27 HB3 TYR 27 3.119 4.257 -1.508
176 HD1 TYR 27 HD1 TYR 27 5.715 5.095 -3.991
177 HD2 TYR 27 HD2 TYR 27 4.436 5.653 0.020
178 HE1 TYR 27 HE1 TYR 27 7.290 6.963 -3.749
179 HE2 TYR 27 HE2 TYR 27 5.987 7.509 0.269
180 HH TYR 27 HH TYR 27 7.454 9.024 -2.291
181 H CYS 28 H CYS 28 3.234 2.165 0.189
182 HA CYS 28 HA CYS 28 2.096 -0.283 -0.787
183 HB2 CYS 28 HB2 CYS 28 1.563 1.230 1.768
184 HB3 CYS 28 HB3 CYS 28 1.061 -0.422 1.422
185 H GLY 29 H GLY 29 -0.139 -0.738 -1.020
186 HA2 GLY 29 HA2 GLY 29 -2.083 1.414 -0.913
187 HA3 GLY 29 HA3 GLY 29 -1.732 0.833 -2.534
188 H GLU 30 H GLU 30 -4.226 0.480 -2.073
189 HA GLU 30 HA GLU 30 -5.061 -1.611 -0.455
190 HB2 GLU 30 HB2 GLU 30 -6.649 0.013 -1.246
191 HB3 GLU 30 HB3 GLU 30 -6.277 -0.384 -2.922
192 HG2 GLU 30 HG2 GLU 30 -8.481 -1.194 -2.292
193 HG3 GLU 30 HG3 GLU 30 -7.405 -2.529 -2.664
194 H ALA 31 H ALA 31 -5.805 -3.636 -1.085
195 HA ALA 31 HA ALA 31 -3.745 -5.071 -2.489
196 HB1 ALA 31 HB1 ALA 31 -4.928 -7.089 -1.791
197 HB2 ALA 31 HB2 ALA 31 -6.311 -6.114 -1.304
198 HB3 ALA 31 HB3 ALA 31 -4.780 -5.963 -0.440
199 H ILE 32 H ILE 32 -7.205 -4.683 -2.936
200 HA ILE 32 HA ILE 32 -6.830 -4.946 -5.815
201 HB ILE 32 HB ILE 32 -9.137 -6.242 -4.373
202 HG12 ILE 32 HG12 ILE 32 -6.748 -7.681 -5.576
203 HG13 ILE 32 HG13 ILE 32 -7.046 -7.498 -3.855
204 HG21 ILE 32 HG21 ILE 32 -9.644 -5.558 -6.637
205 HG22 ILE 32 HG22 ILE 32 -9.598 -7.319 -6.554
206 HG23 ILE 32 HG23 ILE 32 -8.240 -6.435 -7.248
207 HD11 ILE 32 HD11 ILE 32 -9.077 -8.846 -4.072
208 HD12 ILE 32 HD12 ILE 32 -7.649 -9.720 -4.623
209 HD13 ILE 32 HD13 ILE 32 -8.766 -9.026 -5.798
210 H TYR 33 H TYR 33 -7.951 -3.400 -6.749
211 HA TYR 33 HA TYR 33 -9.356 -1.559 -5.035
212 HB2 TYR 33 HB2 TYR 33 -8.266 -1.311 -7.812
213 HB3 TYR 33 HB3 TYR 33 -9.316 -0.093 -7.106
214 HD1 TYR 33 HD1 TYR 33 -6.039 -1.756 -6.835
215 HD2 TYR 33 HD2 TYR 33 -8.479 1.444 -5.469
216 HE1 TYR 33 HE1 TYR 33 -4.097 -0.734 -5.787
217 HE2 TYR 33 HE2 TYR 33 -6.534 2.486 -4.408
218 HH TYR 33 HH TYR 33 -3.382 1.533 -5.088
219 H ALA 34 H ALA 34 -11.164 -2.642 -4.703
220 HA ALA 34 HA ALA 34 -13.209 -2.113 -6.629
221 HB1 ALA 34 HB1 ALA 34 -12.759 -4.946 -5.624
222 HB2 ALA 34 HB2 ALA 34 -12.566 -4.397 -7.287
223 HB3 ALA 34 HB3 ALA 34 -14.164 -4.397 -6.543
224 H ALA 35 H ALA 35 -13.585 -4.444 -4.090
225 HA ALA 35 HA ALA 35 -15.100 -2.593 -2.487
226 HB1 ALA 35 HB1 ALA 35 -15.779 -4.951 -2.634
227 HB2 ALA 35 HB2 ALA 35 -15.353 -4.534 -0.973
228 HB3 ALA 35 HB3 ALA 35 -14.222 -5.448 -1.971
229 HA PRO 36 HA PRO 36 -11.458 -1.508 -0.056
230 HB2 PRO 36 HB2 PRO 36 -13.200 -1.300 2.319
231 HB3 PRO 36 HB3 PRO 36 -12.242 -0.043 1.530
232 HG2 PRO 36 HG2 PRO 36 -14.932 -0.062 1.387
233 HG3 PRO 36 HG3 PRO 36 -13.918 0.510 0.052
234 HD2 PRO 36 HD2 PRO 36 -15.320 -2.114 0.377
235 HD3 PRO 36 HD3 PRO 36 -15.138 -1.099 -1.072
236 H PHE 37 H PHE 37 -10.180 -3.190 0.419
237 HA PHE 37 HA PHE 37 -11.353 -5.443 1.882
238 HB2 PHE 37 HB2 PHE 37 -10.825 -6.106 -0.365
239 HB3 PHE 37 HB3 PHE 37 -9.214 -5.415 -0.248
240 HD1 PHE 37 HD1 PHE 37 -11.372 -8.071 1.190
241 HD2 PHE 37 HD2 PHE 37 -7.424 -6.758 0.367
242 HE1 PHE 37 HE1 PHE 37 -10.495 -10.267 1.894
243 HE2 PHE 37 HE2 PHE 37 -6.539 -8.939 1.065
244 HZ PHE 37 HZ PHE 37 -8.081 -10.699 1.833
245 H ALA 38 H ALA 38 -8.143 -4.159 1.214
246 HA ALA 38 HA ALA 38 -7.354 -4.883 3.945
247 HB1 ALA 38 HB1 ALA 38 -5.780 -4.471 1.406
248 HB2 ALA 38 HB2 ALA 38 -6.110 -6.016 2.192
249 HB3 ALA 38 HB3 ALA 38 -5.076 -4.820 2.981
250 H ARG 39 H ARG 39 -8.886 -2.690 3.480
251 HA ARG 39 HA ARG 39 -8.439 -0.419 2.477
252 HB2 ARG 39 HB2 ARG 39 -8.944 -0.604 5.361
253 HB3 ARG 39 HB3 ARG 39 -9.182 0.822 4.394
254 HG2 ARG 39 HG2 ARG 39 -10.853 -0.276 3.033
255 HG3 ARG 39 HG3 ARG 39 -10.676 -1.761 3.966
256 HD2 ARG 39 HD2 ARG 39 -12.641 -0.465 4.680
257 HD3 ARG 39 HD3 ARG 39 -11.451 -0.597 5.975
258 HE ARG 39 HE ARG 39 -11.002 1.773 4.527
259 HH11 ARG 39 HH11 ARG 39 -13.427 0.442 6.760
260 HH12 ARG 39 HH12 ARG 39 -13.816 1.949 7.415
261 HH21 ARG 39 HH21 ARG 39 -11.553 3.803 5.449
262 HH22 ARG 39 HH22 ARG 39 -12.767 3.906 6.651
Start of MODEL 17
1 H1 CYS 1 H CYS 1 -4.464 3.508 0.548
2 HA CYS 1 HA CYS 1 -4.098 2.452 3.107
3 HB2 CYS 1 HB2 CYS 1 -3.448 0.436 1.664
4 HB3 CYS 1 HB3 CYS 1 -2.243 1.468 0.902
5 H GLU 2 H GLU 2 -3.736 4.542 3.613
6 HA GLU 2 HA GLU 2 -1.891 5.998 1.892
7 HB2 GLU 2 HB2 GLU 2 -4.102 6.199 0.965
8 HB3 GLU 2 HB3 GLU 2 -4.737 6.755 2.498
9 HG2 GLU 2 HG2 GLU 2 -3.529 8.818 2.277
10 HG3 GLU 2 HG3 GLU 2 -2.702 8.221 0.835
11 H ALA 3 H ALA 3 -1.113 7.851 2.762
12 HA ALA 3 HA ALA 3 -1.806 8.884 5.282
13 HB1 ALA 3 HB1 ALA 3 0.885 7.535 4.889
14 HB2 ALA 3 HB2 ALA 3 -0.348 7.062 6.057
15 HB3 ALA 3 HB3 ALA 3 0.486 8.607 6.229
16 H ILE 4 H ILE 4 -1.276 10.995 5.159
17 HA ILE 4 HA ILE 4 -0.130 11.791 2.597
18 HB ILE 4 HB ILE 4 -1.770 13.444 4.550
19 HG12 ILE 4 HG12 ILE 4 -3.093 11.651 3.526
20 HG13 ILE 4 HG13 ILE 4 -3.602 13.225 2.934
21 HG21 ILE 4 HG21 ILE 4 -0.294 14.849 3.203
22 HG22 ILE 4 HG22 ILE 4 -1.981 15.078 2.736
23 HG23 ILE 4 HG23 ILE 4 -0.912 14.100 1.732
24 HD11 ILE 4 HD11 ILE 4 -3.564 11.599 1.138
25 HD12 ILE 4 HD12 ILE 4 -1.872 11.237 1.475
26 HD13 ILE 4 HD13 ILE 4 -2.326 12.831 0.869
27 H TYR 5 H TYR 5 0.650 11.801 5.924
28 HA TYR 5 HA TYR 5 2.505 14.014 5.611
29 HB2 TYR 5 HB2 TYR 5 1.140 13.448 7.739
30 HB3 TYR 5 HB3 TYR 5 2.323 12.178 7.990
31 HD1 TYR 5 HD1 TYR 5 1.787 15.786 7.901
32 HD2 TYR 5 HD2 TYR 5 4.586 12.693 8.707
33 HE1 TYR 5 HE1 TYR 5 3.232 17.404 9.003
34 HE2 TYR 5 HE2 TYR 5 6.050 14.305 9.820
35 HH TYR 5 HH TYR 5 5.041 17.311 10.788
36 H ALA 6 H ALA 6 2.552 10.542 6.091
37 HA ALA 6 HA ALA 6 5.078 10.369 4.686
38 HB1 ALA 6 HB1 ALA 6 4.753 9.207 7.464
39 HB2 ALA 6 HB2 ALA 6 5.784 10.573 7.039
40 HB3 ALA 6 HB3 ALA 6 6.143 8.966 6.403
41 H ALA 7 H ALA 7 4.340 9.118 3.088
42 HA ALA 7 HA ALA 7 2.330 7.131 3.580
43 HB1 ALA 7 HB1 ALA 7 3.830 7.778 1.037
44 HB2 ALA 7 HB2 ALA 7 2.285 8.477 1.524
45 HB3 ALA 7 HB3 ALA 7 2.401 6.754 1.165
46 HA PRO 8 HA PRO 8 5.091 3.813 4.521
47 HB2 PRO 8 HB2 PRO 8 3.464 1.749 3.646
48 HB3 PRO 8 HB3 PRO 8 3.355 2.501 5.236
49 HG2 PRO 8 HG2 PRO 8 1.715 2.997 2.789
50 HG3 PRO 8 HG3 PRO 8 1.209 2.952 4.486
51 HD2 PRO 8 HD2 PRO 8 1.530 5.255 3.158
52 HD3 PRO 8 HD3 PRO 8 1.930 5.112 4.882
53 H LYS 9 H LYS 9 6.797 3.389 3.331
54 HA LYS 9 HA LYS 9 6.630 3.003 0.438
55 HB2 LYS 9 HB2 LYS 9 8.995 3.144 2.331
56 HB3 LYS 9 HB3 LYS 9 9.104 3.002 0.588
57 HG2 LYS 9 HG2 LYS 9 8.064 5.209 0.342
58 HG3 LYS 9 HG3 LYS 9 7.938 5.336 2.097
59 HD2 LYS 9 HD2 LYS 9 10.345 5.248 2.324
60 HD3 LYS 9 HD3 LYS 9 10.532 4.980 0.594
61 HE2 LYS 9 HE2 LYS 9 9.326 7.455 1.833
62 HE3 LYS 9 HE3 LYS 9 11.001 7.318 1.313
63 HZ1 LYS 9 HZ1 LYS 9 9.739 8.397 -0.377
64 HZ2 LYS 9 HZ2 LYS 9 8.583 7.210 -0.436
65 HZ3 LYS 9 HZ3 LYS 9 10.150 6.883 -0.967
66 H CYS 10 H CYS 10 7.661 1.096 -0.504
67 HA CYS 10 HA CYS 10 7.877 -1.143 1.361
68 HB2 CYS 10 HB2 CYS 10 6.610 -2.563 -0.186
69 HB3 CYS 10 HB3 CYS 10 5.636 -1.244 0.453
70 H ARG 11 H ARG 11 9.425 -2.562 0.895
71 HA ARG 11 HA ARG 11 10.865 -2.297 -1.648
72 HB2 ARG 11 HB2 ARG 11 11.665 -3.577 0.980
73 HB3 ARG 11 HB3 ARG 11 12.663 -3.563 -0.466
74 HG2 ARG 11 HG2 ARG 11 12.710 -1.110 -0.376
75 HG3 ARG 11 HG3 ARG 11 11.742 -1.166 1.090
76 HD2 ARG 11 HD2 ARG 11 13.525 -2.424 2.206
77 HD3 ARG 11 HD3 ARG 11 14.492 -2.339 0.734
78 HE ARG 11 HE ARG 11 13.816 0.222 1.249
79 HH11 ARG 11 HH11 ARG 11 15.501 -2.262 3.136
80 HH12 ARG 11 HH12 ARG 11 16.465 -1.162 3.980
81 HH21 ARG 11 HH21 ARG 11 15.123 1.740 2.425
82 HH22 ARG 11 HH22 ARG 11 16.270 1.178 3.556
83 H ARG 12 H ARG 12 9.155 -4.293 0.561
84 HA ARG 12 HA ARG 12 8.444 -6.138 -1.542
85 HB2 ARG 12 HB2 ARG 12 8.459 -7.972 0.095
86 HB3 ARG 12 HB3 ARG 12 10.083 -7.513 -0.421
87 HG2 ARG 12 HG2 ARG 12 8.714 -6.749 2.164
88 HG3 ARG 12 HG3 ARG 12 9.755 -8.147 1.991
89 HD2 ARG 12 HD2 ARG 12 10.534 -5.260 1.657
90 HD3 ARG 12 HD3 ARG 12 10.903 -6.296 3.032
91 HE ARG 12 HE ARG 12 11.835 -7.366 0.590
92 HH11 ARG 12 HH11 ARG 12 12.560 -5.065 3.172
93 HH12 ARG 12 HH12 ARG 12 14.229 -5.030 2.926
94 HH21 ARG 12 HH21 ARG 12 14.192 -7.369 0.233
95 HH22 ARG 12 HH22 ARG 12 15.194 -6.404 1.206
96 H ASP 13 H ASP 13 6.576 -7.347 -0.956
97 HA ASP 13 HA ASP 13 4.532 -5.604 -0.243
98 HB2 ASP 13 HB2 ASP 13 4.747 -8.520 -0.727
99 HB3 ASP 13 HB3 ASP 13 3.246 -7.800 -0.189
100 H SER 14 H SER 14 6.373 -7.881 1.563
101 HA SER 14 HA SER 14 4.573 -8.071 3.729
102 HB2 SER 14 HB2 SER 14 6.660 -8.897 4.925
103 HB3 SER 14 HB3 SER 14 6.033 -9.833 3.543
104 HG SER 14 HG SER 14 8.428 -8.975 3.873
105 H ASP 15 H ASP 15 6.726 -5.672 2.801
106 HA ASP 15 HA ASP 15 7.165 -4.381 5.358
107 HB2 ASP 15 HB2 ASP 15 7.009 -3.093 2.621
108 HB3 ASP 15 HB3 ASP 15 7.420 -2.226 4.086
109 H CYS 16 H CYS 16 4.473 -4.672 3.305
110 HA CYS 16 HA CYS 16 3.200 -2.281 4.243
111 HB2 CYS 16 HB2 CYS 16 2.349 -4.395 2.285
112 HB3 CYS 16 HB3 CYS 16 1.539 -2.856 2.569
113 HA PRO 17 HA PRO 17 1.054 -4.713 7.351
114 HB2 PRO 17 HB2 PRO 17 -0.082 -2.679 8.632
115 HB3 PRO 17 HB3 PRO 17 1.666 -2.935 8.720
116 HG2 PRO 17 HG2 PRO 17 0.112 -0.995 7.055
117 HG3 PRO 17 HG3 PRO 17 1.614 -0.734 7.957
118 HD2 PRO 17 HD2 PRO 17 1.491 -1.228 5.253
119 HD3 PRO 17 HD3 PRO 17 2.905 -1.572 6.270
120 H GLY 18 H GLY 18 -1.288 -4.577 8.243
121 HA2 GLY 18 HA2 GLY 18 -3.530 -4.802 7.894
122 HA3 GLY 18 HA3 GLY 18 -3.372 -3.446 6.784
123 H ALA 19 H ALA 19 -4.255 -3.915 4.958
124 HA ALA 19 HA ALA 19 -3.803 -6.569 3.775
125 HB1 ALA 19 HB1 ALA 19 -5.793 -6.109 2.411
126 HB2 ALA 19 HB2 ALA 19 -5.981 -4.552 3.215
127 HB3 ALA 19 HB3 ALA 19 -6.165 -6.044 4.132
128 H CYS 20 H CYS 20 -2.328 -3.816 3.838
129 HA CYS 20 HA CYS 20 -2.450 -2.823 1.194
130 HB2 CYS 20 HB2 CYS 20 -0.316 -2.467 3.279
131 HB3 CYS 20 HB3 CYS 20 -0.610 -1.445 1.873
132 H ILE 21 H ILE 21 -0.981 -3.083 -0.417
133 HA ILE 21 HA ILE 21 1.079 -5.146 -0.090
134 HB ILE 21 HB ILE 21 0.704 -5.764 -2.485
135 HG12 ILE 21 HG12 ILE 21 -1.813 -4.118 -2.159
136 HG13 ILE 21 HG13 ILE 21 -0.449 -3.733 -3.200
137 HG21 ILE 21 HG21 ILE 21 -1.274 -7.164 -2.086
138 HG22 ILE 21 HG22 ILE 21 -1.618 -6.233 -0.629
139 HG23 ILE 21 HG23 ILE 21 -0.143 -7.194 -0.733
140 HD11 ILE 21 HD11 ILE 21 -0.871 -5.716 -4.499
141 HD12 ILE 21 HD12 ILE 21 -2.293 -4.663 -4.465
142 HD13 ILE 21 HD13 ILE 21 -2.237 -6.125 -3.470
143 H CYS 22 H CYS 22 2.623 -4.943 -2.070
144 HA CYS 22 HA CYS 22 3.510 -2.180 -1.942
145 HB2 CYS 22 HB2 CYS 22 5.097 -3.964 -1.365
146 HB3 CYS 22 HB3 CYS 22 4.931 -4.660 -2.968
147 H ARG 23 H ARG 23 2.939 -0.840 -3.492
148 HA ARG 23 HA ARG 23 1.992 -1.811 -6.031
149 HB2 ARG 23 HB2 ARG 23 2.230 0.957 -4.862
150 HB3 ARG 23 HB3 ARG 23 1.421 0.538 -6.359
151 HG2 ARG 23 HG2 ARG 23 0.601 -0.712 -3.782
152 HG3 ARG 23 HG3 ARG 23 -0.015 0.859 -4.277
153 HD2 ARG 23 HD2 ARG 23 -0.198 -1.666 -5.932
154 HD3 ARG 23 HD3 ARG 23 -1.498 -1.055 -4.907
155 HE ARG 23 HE ARG 23 -0.735 1.014 -6.576
156 HH11 ARG 23 HH11 ARG 23 -2.124 -2.196 -7.051
157 HH12 ARG 23 HH12 ARG 23 -3.114 -1.692 -8.354
158 HH21 ARG 23 HH21 ARG 23 -2.030 1.632 -8.376
159 HH22 ARG 23 HH22 ARG 23 -3.029 0.494 -9.169
160 H GLY 24 H GLY 24 2.739 -0.460 -7.963
161 HA2 GLY 24 HA2 GLY 24 5.531 -1.026 -8.334
162 HA3 GLY 24 HA3 GLY 24 4.430 -0.366 -9.530
163 H ASN 25 H ASN 25 4.048 1.580 -7.044
164 HA ASN 25 HA ASN 25 5.971 3.510 -8.008
165 HB2 ASN 25 HB2 ASN 25 4.767 5.102 -6.442
166 HB3 ASN 25 HB3 ASN 25 3.797 4.437 -7.748
167 HD21 ASN 25 HD21 ASN 25 1.905 4.835 -6.648
168 HD22 ASN 25 HD22 ASN 25 1.407 3.919 -5.269
169 H GLY 26 H GLY 26 5.675 1.294 -5.434
170 HA2 GLY 26 HA2 GLY 26 7.594 0.729 -4.131
171 HA3 GLY 26 HA3 GLY 26 8.167 2.386 -4.323
172 H TYR 27 H TYR 27 4.887 2.036 -3.705
173 HA TYR 27 HA TYR 27 5.198 2.593 -0.872
174 HB2 TYR 27 HB2 TYR 27 3.560 3.837 -2.992
175 HB3 TYR 27 HB3 TYR 27 3.022 3.940 -1.305
176 HD1 TYR 27 HD1 TYR 27 4.682 4.991 0.329
177 HD2 TYR 27 HD2 TYR 27 5.054 5.391 -3.880
178 HE1 TYR 27 HE1 TYR 27 6.106 6.941 0.658
179 HE2 TYR 27 HE2 TYR 27 6.498 7.349 -3.571
180 HH TYR 27 HH TYR 27 6.915 9.078 -1.804
181 H CYS 28 H CYS 28 3.479 1.906 0.366
182 HA CYS 28 HA CYS 28 2.260 -0.526 -0.532
183 HB2 CYS 28 HB2 CYS 28 2.007 0.993 2.063
184 HB3 CYS 28 HB3 CYS 28 1.354 -0.613 1.758
185 H GLY 29 H GLY 29 0.334 -0.712 -1.376
186 HA2 GLY 29 HA2 GLY 29 -1.602 1.486 -1.037
187 HA3 GLY 29 HA3 GLY 29 -1.330 0.715 -2.595
188 H GLU 30 H GLU 30 -3.802 0.535 -1.995
189 HA GLU 30 HA GLU 30 -4.570 -1.477 -0.230
190 HB2 GLU 30 HB2 GLU 30 -6.106 0.205 -0.914
191 HB3 GLU 30 HB3 GLU 30 -5.971 -0.258 -2.610
192 HG2 GLU 30 HG2 GLU 30 -8.074 -1.014 -1.773
193 HG3 GLU 30 HG3 GLU 30 -7.044 -2.410 -1.998
194 H ALA 31 H ALA 31 -5.537 -3.515 -0.865
195 HA ALA 31 HA ALA 31 -3.742 -4.951 -2.622
196 HB1 ALA 31 HB1 ALA 31 -6.039 -5.993 -0.984
197 HB2 ALA 31 HB2 ALA 31 -4.360 -5.890 -0.454
198 HB3 ALA 31 HB3 ALA 31 -4.802 -6.962 -1.786
199 H ILE 32 H ILE 32 -7.208 -4.463 -2.375
200 HA ILE 32 HA ILE 32 -7.484 -5.541 -5.079
201 HB ILE 32 HB ILE 32 -9.447 -5.632 -2.778
202 HG12 ILE 32 HG12 ILE 32 -7.641 -7.182 -2.392
203 HG13 ILE 32 HG13 ILE 32 -9.091 -8.082 -2.816
204 HG21 ILE 32 HG21 ILE 32 -10.663 -5.487 -4.865
205 HG22 ILE 32 HG22 ILE 32 -10.861 -7.074 -4.124
206 HG23 ILE 32 HG23 ILE 32 -9.764 -6.873 -5.488
207 HD11 ILE 32 HD11 ILE 32 -8.229 -8.372 -5.091
208 HD12 ILE 32 HD12 ILE 32 -7.130 -9.026 -3.875
209 HD13 ILE 32 HD13 ILE 32 -6.770 -7.486 -4.642
210 H TYR 33 H TYR 33 -9.027 -4.471 -6.413
211 HA TYR 33 HA TYR 33 -9.375 -1.697 -5.766
212 HB2 TYR 33 HB2 TYR 33 -10.067 -3.306 -8.233
213 HB3 TYR 33 HB3 TYR 33 -10.344 -1.578 -8.068
214 HD1 TYR 33 HD1 TYR 33 -8.376 -0.031 -7.849
215 HD2 TYR 33 HD2 TYR 33 -7.898 -4.159 -8.753
216 HE1 TYR 33 HE1 TYR 33 -6.084 0.403 -8.614
217 HE2 TYR 33 HE2 TYR 33 -5.619 -3.746 -9.510
218 HH TYR 33 HH TYR 33 -4.292 -1.857 -10.382
219 H ALA 34 H ALA 34 -11.241 -0.735 -5.310
220 HA ALA 34 HA ALA 34 -13.314 -0.416 -4.486
221 HB1 ALA 34 HB1 ALA 34 -14.160 -1.411 -6.602
222 HB2 ALA 34 HB2 ALA 34 -15.201 -1.810 -5.236
223 HB3 ALA 34 HB3 ALA 34 -14.076 -3.011 -5.867
224 H ALA 35 H ALA 35 -11.242 -1.952 -3.174
225 HA ALA 35 HA ALA 35 -12.414 -3.968 -1.524
226 HB1 ALA 35 HB1 ALA 35 -9.883 -2.384 -1.090
227 HB2 ALA 35 HB2 ALA 35 -10.008 -3.800 -2.113
228 HB3 ALA 35 HB3 ALA 35 -10.267 -3.954 -0.377
229 HA PRO 36 HA PRO 36 -14.329 -2.049 2.033
230 HB2 PRO 36 HB2 PRO 36 -11.865 -2.686 3.600
231 HB3 PRO 36 HB3 PRO 36 -13.563 -2.880 4.054
232 HG2 PRO 36 HG2 PRO 36 -12.166 -4.972 3.228
233 HG3 PRO 36 HG3 PRO 36 -13.845 -4.759 2.712
234 HD2 PRO 36 HD2 PRO 36 -11.338 -4.418 1.188
235 HD3 PRO 36 HD3 PRO 36 -12.952 -4.868 0.607
236 H PHE 37 H PHE 37 -10.865 -1.237 2.155
237 HA PHE 37 HA PHE 37 -11.691 1.415 3.018
238 HB2 PHE 37 HB2 PHE 37 -9.969 0.230 4.379
239 HB3 PHE 37 HB3 PHE 37 -8.895 0.251 2.986
240 HD1 PHE 37 HD1 PHE 37 -11.071 2.825 4.613
241 HD2 PHE 37 HD2 PHE 37 -7.170 1.724 3.327
242 HE1 PHE 37 HE1 PHE 37 -10.218 5.014 5.335
243 HE2 PHE 37 HE2 PHE 37 -6.317 3.912 4.041
244 HZ PHE 37 HZ PHE 37 -7.836 5.560 5.045
245 H ALA 38 H ALA 38 -9.833 -0.227 0.534
246 HA ALA 38 HA ALA 38 -9.540 0.167 -1.615
247 HB1 ALA 38 HB1 ALA 38 -11.847 1.015 -1.756
248 HB2 ALA 38 HB2 ALA 38 -10.776 1.901 -2.846
249 HB3 ALA 38 HB3 ALA 38 -11.276 2.624 -1.318
250 H ARG 39 H ARG 39 -8.103 1.366 0.593
251 HA ARG 39 HA ARG 39 -6.248 2.998 -0.907
252 HB2 ARG 39 HB2 ARG 39 -7.676 3.874 1.581
253 HB3 ARG 39 HB3 ARG 39 -6.197 4.578 0.986
254 HG2 ARG 39 HG2 ARG 39 -8.766 4.514 -0.580
255 HG3 ARG 39 HG3 ARG 39 -8.364 5.811 0.542
256 HD2 ARG 39 HD2 ARG 39 -6.426 6.395 -0.807
257 HD3 ARG 39 HD3 ARG 39 -6.751 5.037 -1.892
258 HE ARG 39 HE ARG 39 -9.032 6.253 -2.074
259 HH11 ARG 39 HH11 ARG 39 -5.934 8.009 -1.884
260 HH12 ARG 39 HH12 ARG 39 -6.384 9.137 -3.071
261 HH21 ARG 39 HH21 ARG 39 -9.639 7.911 -3.609
262 HH22 ARG 39 HH22 ARG 39 -8.527 9.124 -4.030
Start of MODEL 18
1 H1 CYS 1 H CYS 1 -4.581 2.217 1.746
2 HA CYS 1 HA CYS 1 -5.359 2.660 4.564
3 HB2 CYS 1 HB2 CYS 1 -4.491 0.398 5.021
4 HB3 CYS 1 HB3 CYS 1 -5.764 0.353 3.808
5 H GLU 2 H GLU 2 -3.444 3.960 2.703
6 HA GLU 2 HA GLU 2 -0.845 3.338 3.894
7 HB2 GLU 2 HB2 GLU 2 0.051 4.637 2.002
8 HB3 GLU 2 HB3 GLU 2 -0.949 3.290 1.477
9 HG2 GLU 2 HG2 GLU 2 -2.838 5.135 1.479
10 HG3 GLU 2 HG3 GLU 2 -1.461 6.211 1.326
11 H ALA 3 H ALA 3 0.552 5.186 4.443
12 HA ALA 3 HA ALA 3 -0.889 7.216 5.790
13 HB1 ALA 3 HB1 ALA 3 1.362 7.709 6.737
14 HB2 ALA 3 HB2 ALA 3 2.027 6.426 5.734
15 HB3 ALA 3 HB3 ALA 3 0.865 6.040 7.001
16 H ILE 4 H ILE 4 -1.115 8.940 4.884
17 HA ILE 4 HA ILE 4 -0.028 9.448 2.224
18 HB ILE 4 HB ILE 4 -2.155 11.037 3.688
19 HG12 ILE 4 HG12 ILE 4 -2.447 8.869 1.597
20 HG13 ILE 4 HG13 ILE 4 -2.749 8.662 3.318
21 HG21 ILE 4 HG21 ILE 4 -2.755 11.890 1.464
22 HG22 ILE 4 HG22 ILE 4 -1.422 10.989 0.751
23 HG23 ILE 4 HG23 ILE 4 -1.090 12.314 1.867
24 HD11 ILE 4 HD11 ILE 4 -4.241 10.513 1.479
25 HD12 ILE 4 HD12 ILE 4 -4.566 10.272 3.198
26 HD13 ILE 4 HD13 ILE 4 -4.806 8.949 2.055
27 H TYR 5 H TYR 5 0.287 10.862 5.381
28 HA TYR 5 HA TYR 5 1.735 13.124 4.259
29 HB2 TYR 5 HB2 TYR 5 0.260 13.397 6.285
30 HB3 TYR 5 HB3 TYR 5 1.387 12.386 7.171
31 HD1 TYR 5 HD1 TYR 5 1.270 15.507 5.184
32 HD2 TYR 5 HD2 TYR 5 3.248 13.340 8.251
33 HE1 TYR 5 HE1 TYR 5 2.661 17.452 5.642
34 HE2 TYR 5 HE2 TYR 5 4.659 15.298 8.722
35 HH TYR 5 HH TYR 5 3.956 18.370 7.428
36 H ALA 6 H ALA 6 2.205 10.296 6.150
37 HA ALA 6 HA ALA 6 5.103 10.560 5.793
38 HB1 ALA 6 HB1 ALA 6 5.341 8.833 7.534
39 HB2 ALA 6 HB2 ALA 6 3.585 8.707 7.647
40 HB3 ALA 6 HB3 ALA 6 4.393 10.199 8.125
41 H ALA 7 H ALA 7 4.928 10.048 3.613
42 HA ALA 7 HA ALA 7 3.584 7.933 2.471
43 HB1 ALA 7 HB1 ALA 7 6.164 9.151 1.512
44 HB2 ALA 7 HB2 ALA 7 4.552 9.802 1.215
45 HB3 ALA 7 HB3 ALA 7 5.014 8.241 0.534
46 HA PRO 8 HA PRO 8 6.266 4.676 3.893
47 HB2 PRO 8 HB2 PRO 8 4.466 2.657 3.513
48 HB3 PRO 8 HB3 PRO 8 4.483 3.715 4.924
49 HG2 PRO 8 HG2 PRO 8 2.542 3.600 2.755
50 HG3 PRO 8 HG3 PRO 8 2.440 4.453 4.298
51 HD2 PRO 8 HD2 PRO 8 3.118 5.498 1.668
52 HD3 PRO 8 HD3 PRO 8 2.768 6.359 3.184
53 H LYS 9 H LYS 9 7.827 4.311 2.436
54 HA LYS 9 HA LYS 9 7.085 3.287 -0.162
55 HB2 LYS 9 HB2 LYS 9 9.500 3.479 -0.744
56 HB3 LYS 9 HB3 LYS 9 8.769 4.998 -0.268
57 HG2 LYS 9 HG2 LYS 9 9.807 4.731 1.968
58 HG3 LYS 9 HG3 LYS 9 10.595 3.270 1.371
59 HD2 LYS 9 HD2 LYS 9 11.761 4.526 -0.333
60 HD3 LYS 9 HD3 LYS 9 10.900 5.997 0.112
61 HE2 LYS 9 HE2 LYS 9 12.849 4.478 1.850
62 HE3 LYS 9 HE3 LYS 9 13.176 5.979 0.992
63 HZ1 LYS 9 HZ1 LYS 9 11.403 7.024 2.334
64 HZ2 LYS 9 HZ2 LYS 9 12.686 6.478 3.262
65 HZ3 LYS 9 HZ3 LYS 9 11.255 5.602 3.224
66 H CYS 10 H CYS 10 7.824 1.339 -0.977
67 HA CYS 10 HA CYS 10 8.396 -0.596 1.150
68 HB2 CYS 10 HB2 CYS 10 6.825 -2.125 0.076
69 HB3 CYS 10 HB3 CYS 10 6.030 -0.650 0.624
70 H ARG 11 H ARG 11 9.443 -2.389 0.539
71 HA ARG 11 HA ARG 11 10.559 -2.489 -2.181
72 HB2 ARG 11 HB2 ARG 11 11.652 -3.689 0.369
73 HB3 ARG 11 HB3 ARG 11 12.386 -3.813 -1.220
74 HG2 ARG 11 HG2 ARG 11 12.044 -1.300 0.426
75 HG3 ARG 11 HG3 ARG 11 13.561 -2.133 0.076
76 HD2 ARG 11 HD2 ARG 11 13.352 -1.616 -2.271
77 HD3 ARG 11 HD3 ARG 11 11.752 -0.928 -2.013
78 HE ARG 11 HE ARG 11 14.222 0.212 -0.925
79 HH11 ARG 11 HH11 ARG 11 10.932 0.643 -2.255
80 HH12 ARG 11 HH12 ARG 11 11.111 2.317 -2.495
81 HH21 ARG 11 HH21 ARG 11 14.413 2.565 -1.247
82 HH22 ARG 11 HH22 ARG 11 13.106 3.426 -1.901
83 H ARG 12 H ARG 12 9.050 -4.106 0.474
84 HA ARG 12 HA ARG 12 8.112 -6.210 -1.308
85 HB2 ARG 12 HB2 ARG 12 8.159 -7.638 0.773
86 HB3 ARG 12 HB3 ARG 12 9.684 -7.367 -0.047
87 HG2 ARG 12 HG2 ARG 12 10.131 -5.547 1.625
88 HG3 ARG 12 HG3 ARG 12 8.668 -6.048 2.477
89 HD2 ARG 12 HD2 ARG 12 10.693 -7.018 3.464
90 HD3 ARG 12 HD3 ARG 12 9.613 -8.256 2.822
91 HE ARG 12 HE ARG 12 11.337 -7.625 0.797
92 HH11 ARG 12 HH11 ARG 12 11.686 -8.905 4.070
93 HH12 ARG 12 HH12 ARG 12 13.057 -9.844 3.705
94 HH21 ARG 12 HH21 ARG 12 13.192 -8.862 0.299
95 HH22 ARG 12 HH22 ARG 12 13.944 -9.826 1.482
96 H ASP 13 H ASP 13 6.155 -7.162 -0.593
97 HA ASP 13 HA ASP 13 4.216 -5.233 -0.024
98 HB2 ASP 13 HB2 ASP 13 4.232 -8.211 -0.148
99 HB3 ASP 13 HB3 ASP 13 2.788 -7.296 0.233
100 H SER 14 H SER 14 5.917 -7.529 1.864
101 HA SER 14 HA SER 14 4.365 -7.433 4.186
102 HB2 SER 14 HB2 SER 14 6.543 -8.315 5.121
103 HB3 SER 14 HB3 SER 14 5.680 -9.252 3.861
104 HG SER 14 HG SER 14 7.908 -9.066 3.473
105 H ASP 15 H ASP 15 6.359 -5.131 2.871
106 HA ASP 15 HA ASP 15 7.319 -3.738 5.146
107 HB2 ASP 15 HB2 ASP 15 6.544 -2.809 2.404
108 HB3 ASP 15 HB3 ASP 15 6.779 -1.604 3.659
109 H CYS 16 H CYS 16 4.147 -3.755 3.557
110 HA CYS 16 HA CYS 16 3.067 -2.422 5.872
111 HB2 CYS 16 HB2 CYS 16 2.450 -1.966 2.962
112 HB3 CYS 16 HB3 CYS 16 1.581 -1.269 4.320
113 HA PRO 17 HA PRO 17 1.190 -6.464 5.149
114 HB2 PRO 17 HB2 PRO 17 0.582 -7.042 7.673
115 HB3 PRO 17 HB3 PRO 17 2.255 -7.041 7.101
116 HG2 PRO 17 HG2 PRO 17 0.785 -4.956 8.662
117 HG3 PRO 17 HG3 PRO 17 2.440 -5.555 8.876
118 HD2 PRO 17 HD2 PRO 17 1.779 -3.230 7.555
119 HD3 PRO 17 HD3 PRO 17 3.274 -4.146 7.290
120 H GLY 18 H GLY 18 -0.809 -7.515 6.443
121 HA2 GLY 18 HA2 GLY 18 -3.021 -7.669 6.755
122 HA3 GLY 18 HA3 GLY 18 -3.028 -5.950 7.101
123 H ALA 19 H ALA 19 -3.982 -4.688 5.764
124 HA ALA 19 HA ALA 19 -5.213 -5.828 3.407
125 HB1 ALA 19 HB1 ALA 19 -6.568 -4.562 4.993
126 HB2 ALA 19 HB2 ALA 19 -6.567 -3.804 3.400
127 HB3 ALA 19 HB3 ALA 19 -5.580 -3.133 4.697
128 H CYS 20 H CYS 20 -2.424 -3.981 4.112
129 HA CYS 20 HA CYS 20 -2.585 -2.503 1.637
130 HB2 CYS 20 HB2 CYS 20 -0.490 -2.559 3.795
131 HB3 CYS 20 HB3 CYS 20 -0.557 -1.446 2.438
132 H ILE 21 H ILE 21 -0.938 -2.631 0.066
133 HA ILE 21 HA ILE 21 0.836 -4.965 0.191
134 HB ILE 21 HB ILE 21 0.579 -5.304 -2.234
135 HG12 ILE 21 HG12 ILE 21 -1.687 -3.292 -2.146
136 HG13 ILE 21 HG13 ILE 21 -0.079 -2.943 -2.766
137 HG21 ILE 21 HG21 ILE 21 -1.684 -6.256 -2.284
138 HG22 ILE 21 HG22 ILE 21 -2.046 -5.424 -0.772
139 HG23 ILE 21 HG23 ILE 21 -0.796 -6.669 -0.817
140 HD11 ILE 21 HD11 ILE 21 -0.374 -4.625 -4.498
141 HD12 ILE 21 HD12 ILE 21 -1.655 -3.415 -4.565
142 HD13 ILE 21 HD13 ILE 21 -1.973 -5.007 -3.868
143 H CYS 22 H CYS 22 2.437 -4.646 -1.778
144 HA CYS 22 HA CYS 22 3.484 -1.913 -1.579
145 HB2 CYS 22 HB2 CYS 22 5.047 -3.704 -0.943
146 HB3 CYS 22 HB3 CYS 22 4.795 -4.499 -2.497
147 H ARG 23 H ARG 23 3.306 -0.630 -3.370
148 HA ARG 23 HA ARG 23 2.061 -1.789 -5.700
149 HB2 ARG 23 HB2 ARG 23 2.849 1.047 -5.178
150 HB3 ARG 23 HB3 ARG 23 1.753 0.437 -6.392
151 HG2 ARG 23 HG2 ARG 23 0.141 -0.129 -4.675
152 HG3 ARG 23 HG3 ARG 23 1.267 0.447 -3.433
153 HD2 ARG 23 HD2 ARG 23 1.349 2.629 -4.539
154 HD3 ARG 23 HD3 ARG 23 0.158 2.072 -5.701
155 HE ARG 23 HE ARG 23 -0.321 2.363 -2.831
156 HH11 ARG 23 HH11 ARG 23 -1.469 2.446 -6.167
157 HH12 ARG 23 HH12 ARG 23 -2.848 3.377 -5.854
158 HH21 ARG 23 HH21 ARG 23 -2.290 3.675 -2.350
159 HH22 ARG 23 HH22 ARG 23 -3.275 4.114 -3.677
160 H GLY 24 H GLY 24 2.886 -0.979 -7.806
161 HA2 GLY 24 HA2 GLY 24 5.653 -1.644 -8.139
162 HA3 GLY 24 HA3 GLY 24 4.534 -1.155 -9.400
163 H ASN 25 H ASN 25 4.150 1.198 -7.301
164 HA ASN 25 HA ASN 25 6.023 2.952 -8.649
165 HB2 ASN 25 HB2 ASN 25 4.784 4.796 -7.687
166 HB3 ASN 25 HB3 ASN 25 3.606 3.624 -8.248
167 HD21 ASN 25 HD21 ASN 25 3.126 5.682 -6.337
168 HD22 ASN 25 HD22 ASN 25 2.730 4.935 -4.846
169 H GLY 26 H GLY 26 5.841 1.128 -5.792
170 HA2 GLY 26 HA2 GLY 26 7.854 0.681 -4.622
171 HA3 GLY 26 HA3 GLY 26 8.388 2.322 -4.959
172 H TYR 27 H TYR 27 5.147 2.125 -4.130
173 HA TYR 27 HA TYR 27 5.704 2.835 -1.362
174 HB2 TYR 27 HB2 TYR 27 4.034 4.033 -3.456
175 HB3 TYR 27 HB3 TYR 27 3.599 4.314 -1.753
176 HD1 TYR 27 HD2 TYR 27 5.380 5.413 -0.303
177 HD2 TYR 27 HD1 TYR 27 5.661 5.320 -4.541
178 HE1 TYR 27 HE2 TYR 27 6.995 7.238 -0.221
179 HE2 TYR 27 HE1 TYR 27 7.288 7.153 -4.478
180 HH TYR 27 HH TYR 27 7.873 8.981 -2.968
181 H CYS 28 H CYS 28 3.964 2.386 0.065
182 HA CYS 28 HA CYS 28 2.616 -0.080 -0.555
183 HB2 CYS 28 HB2 CYS 28 2.389 1.704 1.864
184 HB3 CYS 28 HB3 CYS 28 1.790 0.061 1.729
185 H GLY 29 H GLY 29 0.264 -0.317 -0.161
186 HA2 GLY 29 HA2 GLY 29 -1.501 1.789 0.249
187 HA3 GLY 29 HA3 GLY 29 -1.276 1.667 -1.488
188 H GLU 30 H GLU 30 -3.714 1.334 -0.962
189 HA GLU 30 HA GLU 30 -4.645 -1.114 -0.114
190 HB2 GLU 30 HB2 GLU 30 -6.091 0.772 -0.345
191 HB3 GLU 30 HB3 GLU 30 -5.708 0.925 -2.059
192 HG2 GLU 30 HG2 GLU 30 -7.957 0.082 -1.718
193 HG3 GLU 30 HG3 GLU 30 -6.924 -1.113 -2.498
194 H ALA 31 H ALA 31 -5.518 -2.770 -1.432
195 HA ALA 31 HA ALA 31 -3.591 -3.683 -3.383
196 HB1 ALA 31 HB1 ALA 31 -4.329 -5.171 -1.583
197 HB2 ALA 31 HB2 ALA 31 -4.656 -5.851 -3.177
198 HB3 ALA 31 HB3 ALA 31 -5.966 -5.142 -2.236
199 H ILE 32 H ILE 32 -5.812 -1.626 -3.924
200 HA ILE 32 HA ILE 32 -6.993 -2.929 -6.246
201 HB ILE 32 HB ILE 32 -7.328 -0.097 -5.291
202 HG12 ILE 32 HG12 ILE 32 -8.381 -1.672 -3.702
203 HG13 ILE 32 HG13 ILE 32 -9.606 -0.724 -4.534
204 HG21 ILE 32 HG21 ILE 32 -9.252 0.061 -6.847
205 HG22 ILE 32 HG22 ILE 32 -8.849 -1.546 -7.452
206 HG23 ILE 32 HG23 ILE 32 -7.713 -0.215 -7.667
207 HD11 ILE 32 HD11 ILE 32 -10.286 -3.031 -4.319
208 HD12 ILE 32 HD12 ILE 32 -8.823 -3.568 -5.142
209 HD13 ILE 32 HD13 ILE 32 -10.034 -2.631 -6.017
210 H TYR 33 H TYR 33 -6.217 -2.562 -8.145
211 HA TYR 33 HA TYR 33 -3.668 -1.183 -8.328
212 HB2 TYR 33 HB2 TYR 33 -4.998 -3.266 -10.020
213 HB3 TYR 33 HB3 TYR 33 -3.582 -2.383 -10.578
214 HD1 TYR 33 HD1 TYR 33 -4.800 -4.604 -7.828
215 HD2 TYR 33 HD2 TYR 33 -1.445 -3.014 -9.898
216 HE1 TYR 33 HE1 TYR 33 -3.334 -6.137 -6.613
217 HE2 TYR 33 HE2 TYR 33 0.024 -4.541 -8.701
218 HH TYR 33 HH TYR 33 -0.016 -5.731 -6.532
219 H ALA 34 H ALA 34 -6.869 -0.901 -9.379
220 HA ALA 34 HA ALA 34 -6.306 1.108 -11.364
221 HB1 ALA 34 HB1 ALA 34 -8.912 0.221 -10.112
222 HB2 ALA 34 HB2 ALA 34 -8.246 -0.380 -11.630
223 HB3 ALA 34 HB3 ALA 34 -8.763 1.300 -11.497
224 H ALA 35 H ALA 35 -8.221 3.061 -10.747
225 HA ALA 35 HA ALA 35 -6.915 4.592 -8.783
226 HB1 ALA 35 HB1 ALA 35 -8.754 6.185 -9.071
227 HB2 ALA 35 HB2 ALA 35 -9.692 4.963 -9.925
228 HB3 ALA 35 HB3 ALA 35 -8.205 5.585 -10.637
229 HA PRO 36 HA PRO 36 -9.087 2.627 -5.366
230 HB2 PRO 36 HB2 PRO 36 -7.386 3.331 -3.424
231 HB3 PRO 36 HB3 PRO 36 -6.944 2.108 -4.620
232 HG2 PRO 36 HG2 PRO 36 -6.097 4.954 -4.423
233 HG3 PRO 36 HG3 PRO 36 -5.177 3.547 -4.974
234 HD2 PRO 36 HD2 PRO 36 -6.460 5.434 -6.610
235 HD3 PRO 36 HD3 PRO 36 -5.849 3.847 -7.121
236 H PHE 37 H PHE 37 -9.457 3.607 -2.947
237 HA PHE 37 HA PHE 37 -10.122 6.412 -3.058
238 HB2 PHE 37 HB2 PHE 37 -12.059 5.203 -4.063
239 HB3 PHE 37 HB3 PHE 37 -12.200 4.262 -2.593
240 HD1 PHE 37 HD1 PHE 37 -12.396 7.705 -3.933
241 HD2 PHE 37 HD2 PHE 37 -13.475 5.051 -0.788
242 HE1 PHE 37 HE1 PHE 37 -13.929 9.399 -3.034
243 HE2 PHE 37 HE2 PHE 37 -15.010 6.748 0.117
244 HZ PHE 37 HZ PHE 37 -15.237 8.922 -1.013
245 H ALA 38 H ALA 38 -10.817 3.458 -1.237
246 HA ALA 38 HA ALA 38 -10.097 4.807 1.220
247 HB1 ALA 38 HB1 ALA 38 -10.984 1.987 0.749
248 HB2 ALA 38 HB2 ALA 38 -12.053 3.322 1.226
249 HB3 ALA 38 HB3 ALA 38 -10.775 2.748 2.319
250 H ARG 39 H ARG 39 -7.917 5.098 0.580
251 HA ARG 39 HA ARG 39 -6.251 2.817 0.277
252 HB2 ARG 39 HB2 ARG 39 -5.557 5.728 0.726
253 HB3 ARG 39 HB3 ARG 39 -4.391 4.451 0.399
254 HG2 ARG 39 HG2 ARG 39 -5.464 4.038 -1.764
255 HG3 ARG 39 HG3 ARG 39 -6.597 5.348 -1.438
256 HD2 ARG 39 HD2 ARG 39 -3.600 5.680 -1.550
257 HD3 ARG 39 HD3 ARG 39 -4.672 5.964 -2.914
258 HE ARG 39 HE ARG 39 -5.745 7.559 -1.137
259 HH11 ARG 39 HH11 ARG 39 -2.220 7.084 -1.627
260 HH12 ARG 39 HH12 ARG 39 -1.894 8.751 -1.583
261 HH21 ARG 39 HH21 ARG 39 -5.187 9.845 -0.992
262 HH22 ARG 39 HH22 ARG 39 -3.568 10.325 -1.178
Start of MODEL 19
1 H1 CYS 1 H CYS 1 -4.007 2.670 3.298
2 HA CYS 1 HA CYS 1 -2.370 2.992 5.744
3 HB2 CYS 1 HB2 CYS 1 -0.857 1.218 4.861
4 HB3 CYS 1 HB3 CYS 1 -2.459 0.618 5.279
5 H GLU 2 H GLU 2 -3.153 4.330 3.124
6 HA GLU 2 HA GLU 2 -0.557 4.855 1.914
7 HB2 GLU 2 HB2 GLU 2 -3.205 6.136 1.144
8 HB3 GLU 2 HB3 GLU 2 -1.725 6.188 0.236
9 HG2 GLU 2 HG2 GLU 2 -2.911 4.636 -0.962
10 HG3 GLU 2 HG3 GLU 2 -2.018 3.591 0.132
11 H ALA 3 H ALA 3 -0.247 7.299 1.324
12 HA ALA 3 HA ALA 3 -1.176 9.176 3.225
13 HB1 ALA 3 HB1 ALA 3 1.055 9.813 4.044
14 HB2 ALA 3 HB2 ALA 3 1.763 8.449 3.188
15 HB3 ALA 3 HB3 ALA 3 0.652 8.170 4.527
16 H ILE 4 H ILE 4 -1.164 11.050 2.308
17 HA ILE 4 HA ILE 4 -0.378 11.161 -0.488
18 HB ILE 4 HB ILE 4 -1.970 13.185 1.119
19 HG12 ILE 4 HG12 ILE 4 -3.005 10.965 -0.664
20 HG13 ILE 4 HG13 ILE 4 -3.017 10.921 1.094
21 HG21 ILE 4 HG21 ILE 4 -1.727 12.750 -1.861
22 HG22 ILE 4 HG22 ILE 4 -1.024 14.088 -0.952
23 HG23 ILE 4 HG23 ILE 4 -2.778 13.935 -1.082
24 HD11 ILE 4 HD11 ILE 4 -5.198 11.507 0.207
25 HD12 ILE 4 HD12 ILE 4 -4.495 12.885 -0.642
26 HD13 ILE 4 HD13 ILE 4 -4.516 12.854 1.120
27 H TYR 5 H TYR 5 0.526 12.498 2.563
28 HA TYR 5 HA TYR 5 2.040 14.682 1.374
29 HB2 TYR 5 HB2 TYR 5 0.839 14.935 3.529
30 HB3 TYR 5 HB3 TYR 5 1.882 13.722 4.227
31 HD1 TYR 5 HD1 TYR 5 2.021 17.085 2.633
32 HD2 TYR 5 HD2 TYR 5 3.927 14.293 5.210
33 HE1 TYR 5 HE1 TYR 5 3.682 18.778 3.231
34 HE2 TYR 5 HE2 TYR 5 5.591 15.981 5.822
35 HH TYR 5 HH TYR 5 5.210 19.236 5.145
36 H ALA 6 H ALA 6 2.551 11.703 3.006
37 HA ALA 6 HA ALA 6 5.195 11.467 1.826
38 HB1 ALA 6 HB1 ALA 6 6.323 10.922 3.928
39 HB2 ALA 6 HB2 ALA 6 4.835 11.242 4.819
40 HB3 ALA 6 HB3 ALA 6 5.661 12.556 3.979
41 H ALA 7 H ALA 7 4.328 9.862 0.642
42 HA ALA 7 HA ALA 7 2.801 7.730 1.624
43 HB1 ALA 7 HB1 ALA 7 4.496 7.880 -0.860
44 HB2 ALA 7 HB2 ALA 7 2.822 8.420 -0.715
45 HB3 ALA 7 HB3 ALA 7 3.217 6.708 -0.542
46 HA PRO 8 HA PRO 8 6.015 5.261 3.474
47 HB2 PRO 8 HB2 PRO 8 4.612 2.945 3.736
48 HB3 PRO 8 HB3 PRO 8 4.353 4.337 4.796
49 HG2 PRO 8 HG2 PRO 8 2.774 3.455 2.411
50 HG3 PRO 8 HG3 PRO 8 2.189 4.058 3.970
51 HD2 PRO 8 HD2 PRO 8 2.314 5.588 1.742
52 HD3 PRO 8 HD3 PRO 8 2.519 6.251 3.374
53 H LYS 9 H LYS 9 7.654 4.421 2.364
54 HA LYS 9 HA LYS 9 7.297 3.298 -0.268
55 HB2 LYS 9 HB2 LYS 9 9.792 3.446 1.432
56 HB3 LYS 9 HB3 LYS 9 9.719 3.037 -0.276
57 HG2 LYS 9 HG2 LYS 9 8.787 5.290 -0.714
58 HG3 LYS 9 HG3 LYS 9 9.058 5.690 0.982
59 HD2 LYS 9 HD2 LYS 9 10.887 6.544 -0.337
60 HD3 LYS 9 HD3 LYS 9 11.473 5.196 0.641
61 HE2 LYS 9 HE2 LYS 9 11.357 3.711 -1.259
62 HE3 LYS 9 HE3 LYS 9 10.629 4.973 -2.252
63 HZ1 LYS 9 HZ1 LYS 9 13.353 4.975 -1.096
64 HZ2 LYS 9 HZ2 LYS 9 12.683 6.243 -1.996
65 HZ3 LYS 9 HZ3 LYS 9 12.960 4.746 -2.721
66 H CYS 10 H CYS 10 7.689 1.194 -0.884
67 HA CYS 10 HA CYS 10 7.621 -0.740 1.338
68 HB2 CYS 10 HB2 CYS 10 6.349 -2.191 -0.164
69 HB3 CYS 10 HB3 CYS 10 5.522 -0.667 0.137
70 H ARG 11 H ARG 11 8.916 -2.551 1.172
71 HA ARG 11 HA ARG 11 10.701 -2.624 -1.166
72 HB2 ARG 11 HB2 ARG 11 11.027 -3.997 1.522
73 HB3 ARG 11 HB3 ARG 11 12.189 -4.019 0.207
74 HG2 ARG 11 HG2 ARG 11 11.385 -1.646 1.874
75 HG3 ARG 11 HG3 ARG 11 12.933 -2.485 1.896
76 HD2 ARG 11 HD2 ARG 11 11.775 -0.901 -0.402
77 HD3 ARG 11 HD3 ARG 11 13.101 -0.412 0.644
78 HE ARG 11 HE ARG 11 13.993 -2.718 -0.351
79 HH11 ARG 11 HH11 ARG 11 12.653 0.191 -1.912
80 HH12 ARG 11 HH12 ARG 11 13.525 -0.027 -3.354
81 HH21 ARG 11 HH21 ARG 11 15.189 -2.976 -2.369
82 HH22 ARG 11 HH22 ARG 11 14.955 -1.850 -3.633
83 H ARG 12 H ARG 12 8.726 -4.471 1.026
84 HA ARG 12 HA ARG 12 7.933 -6.215 -1.152
85 HB2 ARG 12 HB2 ARG 12 7.881 -8.077 0.565
86 HB3 ARG 12 HB3 ARG 12 9.435 -7.669 -0.127
87 HG2 ARG 12 HG2 ARG 12 9.990 -6.417 1.908
88 HG3 ARG 12 HG3 ARG 12 8.398 -6.781 2.574
89 HD2 ARG 12 HD2 ARG 12 10.153 -8.256 3.481
90 HD3 ARG 12 HD3 ARG 12 8.917 -9.144 2.594
91 HE ARG 12 HE ARG 12 10.955 -8.547 0.822
92 HH11 ARG 12 HH11 ARG 12 10.469 -10.590 3.673
93 HH12 ARG 12 HH12 ARG 12 11.693 -11.698 3.264
94 HH21 ARG 12 HH21 ARG 12 12.587 -10.057 0.259
95 HH22 ARG 12 HH22 ARG 12 12.945 -11.390 1.254
96 H ASP 13 H ASP 13 5.949 -7.219 -0.792
97 HA ASP 13 HA ASP 13 3.997 -5.414 -0.050
98 HB2 ASP 13 HB2 ASP 13 4.011 -8.362 -0.558
99 HB3 ASP 13 HB3 ASP 13 2.545 -7.451 -0.253
100 H SER 14 H SER 14 5.500 -8.006 1.610
101 HA SER 14 HA SER 14 3.720 -8.193 3.767
102 HB2 SER 14 HB2 SER 14 5.711 -9.345 4.831
103 HB3 SER 14 HB3 SER 14 4.965 -10.035 3.363
104 HG SER 14 HG SER 14 7.359 -9.798 3.585
105 H ASP 15 H ASP 15 6.109 -5.883 3.149
106 HA ASP 15 HA ASP 15 6.152 -5.190 5.995
107 HB2 ASP 15 HB2 ASP 15 7.852 -3.474 5.657
108 HB3 ASP 15 HB3 ASP 15 8.346 -4.959 4.880
109 H CYS 16 H CYS 16 4.122 -4.622 3.577
110 HA CYS 16 HA CYS 16 3.444 -1.942 4.348
111 HB2 CYS 16 HB2 CYS 16 2.257 -3.869 2.360
112 HB3 CYS 16 HB3 CYS 16 1.715 -2.213 2.599
113 HA PRO 17 HA PRO 17 0.728 -2.938 7.710
114 HB2 PRO 17 HB2 PRO 17 -1.086 -1.005 6.336
115 HB3 PRO 17 HB3 PRO 17 -0.632 -1.094 8.042
116 HG2 PRO 17 HG2 PRO 17 0.508 0.706 6.490
117 HG3 PRO 17 HG3 PRO 17 1.478 -0.201 7.662
118 HD2 PRO 17 HD2 PRO 17 1.325 -0.503 4.699
119 HD3 PRO 17 HD3 PRO 17 2.707 -0.711 5.796
120 H GLY 18 H GLY 18 -0.367 -4.727 7.865
121 HA2 GLY 18 HA2 GLY 18 -1.960 -6.300 7.653
122 HA3 GLY 18 HA3 GLY 18 -2.967 -5.057 6.927
123 H ALA 19 H ALA 19 -3.616 -5.480 5.014
124 HA ALA 19 HA ALA 19 -2.185 -7.475 3.447
125 HB1 ALA 19 HB1 ALA 19 -4.300 -7.876 2.303
126 HB2 ALA 19 HB2 ALA 19 -5.061 -6.603 3.258
127 HB3 ALA 19 HB3 ALA 19 -4.473 -8.063 4.047
128 H CYS 20 H CYS 20 -2.078 -4.283 3.681
129 HA CYS 20 HA CYS 20 -2.555 -3.359 1.075
130 HB2 CYS 20 HB2 CYS 20 -0.602 -2.482 3.171
131 HB3 CYS 20 HB3 CYS 20 -0.888 -1.616 1.674
132 H ILE 21 H ILE 21 -1.065 -3.030 -0.590
133 HA ILE 21 HA ILE 21 1.002 -5.089 -0.531
134 HB ILE 21 HB ILE 21 0.683 -5.413 -2.921
135 HG12 ILE 21 HG12 ILE 21 -1.628 -3.463 -2.689
136 HG13 ILE 21 HG13 ILE 21 -0.104 -3.139 -3.513
137 HG21 ILE 21 HG21 ILE 21 -1.532 -6.480 -2.848
138 HG22 ILE 21 HG22 ILE 21 -1.881 -5.619 -1.349
139 HG23 ILE 21 HG23 ILE 21 -0.576 -6.804 -1.401
140 HD11 ILE 21 HD11 ILE 21 -1.856 -3.730 -5.106
141 HD12 ILE 21 HD12 ILE 21 -2.105 -5.255 -4.266
142 HD13 ILE 21 HD13 ILE 21 -0.579 -4.943 -5.088
143 H CYS 22 H CYS 22 2.673 -4.733 -2.182
144 HA CYS 22 HA CYS 22 3.680 -2.014 -1.902
145 HB2 CYS 22 HB2 CYS 22 5.202 -3.841 -1.268
146 HB3 CYS 22 HB3 CYS 22 5.002 -4.575 -2.852
147 H ARG 23 H ARG 23 2.956 -0.726 -3.484
148 HA ARG 23 HA ARG 23 2.116 -1.845 -5.961
149 HB2 ARG 23 HB2 ARG 23 2.191 0.978 -4.968
150 HB3 ARG 23 HB3 ARG 23 1.410 0.428 -6.434
151 HG2 ARG 23 HG2 ARG 23 -0.095 -0.976 -5.182
152 HG3 ARG 23 HG3 ARG 23 0.707 -0.535 -3.689
153 HD2 ARG 23 HD2 ARG 23 -0.575 1.502 -5.482
154 HD3 ARG 23 HD3 ARG 23 -1.433 0.714 -4.158
155 HE ARG 23 HE ARG 23 0.529 1.578 -2.785
156 HH11 ARG 23 HH11 ARG 23 -0.704 3.352 -5.591
157 HH12 ARG 23 HH12 ARG 23 -0.514 4.878 -4.885
158 HH21 ARG 23 HH21 ARG 23 0.760 3.662 -1.781
159 HH22 ARG 23 HH22 ARG 23 0.375 5.062 -2.661
160 H GLY 24 H GLY 24 2.697 -0.711 -7.954
161 HA2 GLY 24 HA2 GLY 24 5.463 -1.105 -8.456
162 HA3 GLY 24 HA3 GLY 24 4.268 -0.528 -9.606
163 H ASN 25 H ASN 25 3.915 1.556 -7.239
164 HA ASN 25 HA ASN 25 5.654 3.500 -8.492
165 HB2 ASN 25 HB2 ASN 25 4.414 5.164 -7.218
166 HB3 ASN 25 HB3 ASN 25 3.277 4.065 -7.978
167 HD21 ASN 25 HD21 ASN 25 2.745 5.752 -5.805
168 HD22 ASN 25 HD22 ASN 25 2.356 4.813 -4.430
169 H GLY 26 H GLY 26 5.582 1.463 -5.777
170 HA2 GLY 26 HA2 GLY 26 7.678 0.930 -4.745
171 HA3 GLY 26 HA3 GLY 26 8.141 2.619 -4.934
172 H TYR 27 H TYR 27 4.944 2.273 -4.053
173 HA TYR 27 HA TYR 27 5.600 2.806 -1.277
174 HB2 TYR 27 HB2 TYR 27 3.678 4.022 -3.161
175 HB3 TYR 27 HB3 TYR 27 3.599 4.343 -1.414
176 HD1 TYR 27 HD1 TYR 27 6.068 5.158 -0.515
177 HD2 TYR 27 HD2 TYR 27 4.624 5.607 -4.476
178 HE1 TYR 27 HE1 TYR 27 7.635 7.005 -0.871
179 HE2 TYR 27 HE2 TYR 27 6.194 7.447 -4.853
180 HH TYR 27 HH TYR 27 8.778 8.068 -2.872
181 H CYS 28 H CYS 28 4.087 2.120 0.183
182 HA CYS 28 HA CYS 28 2.575 -0.230 -0.466
183 HB2 CYS 28 HB2 CYS 28 2.675 1.444 2.048
184 HB3 CYS 28 HB3 CYS 28 1.828 -0.086 1.892
185 H GLY 29 H GLY 29 0.388 -0.442 -0.569
186 HA2 GLY 29 HA2 GLY 29 -1.342 1.647 0.214
187 HA3 GLY 29 HA3 GLY 29 -1.180 1.565 -1.543
188 H GLU 30 H GLU 30 -3.529 1.085 -0.095
189 HA GLU 30 HA GLU 30 -4.054 -1.601 0.203
190 HB2 GLU 30 HB2 GLU 30 -5.426 0.130 1.124
191 HB3 GLU 30 HB3 GLU 30 -5.863 0.736 -0.469
192 HG2 GLU 30 HG2 GLU 30 -7.689 -0.509 0.562
193 HG3 GLU 30 HG3 GLU 30 -7.091 -1.343 -0.865
194 H ALA 31 H ALA 31 -5.544 -2.821 -1.202
195 HA ALA 31 HA ALA 31 -4.434 -3.099 -3.852
196 HB1 ALA 31 HB1 ALA 31 -5.807 -5.109 -3.964
197 HB2 ALA 31 HB2 ALA 31 -6.663 -4.622 -2.503
198 HB3 ALA 31 HB3 ALA 31 -4.950 -5.031 -2.425
199 H ILE 32 H ILE 32 -5.694 -0.701 -3.667
200 HA ILE 32 HA ILE 32 -8.303 -0.856 -4.938
201 HB ILE 32 HB ILE 32 -6.654 1.582 -4.385
202 HG12 ILE 32 HG12 ILE 32 -8.720 0.383 -2.532
203 HG13 ILE 32 HG13 ILE 32 -6.979 0.279 -2.296
204 HG21 ILE 32 HG21 ILE 32 -8.518 1.965 -5.879
205 HG22 ILE 32 HG22 ILE 32 -8.844 2.743 -4.331
206 HG23 ILE 32 HG23 ILE 32 -9.626 1.215 -4.728
207 HD11 ILE 32 HD11 ILE 32 -8.596 2.817 -2.334
208 HD12 ILE 32 HD12 ILE 32 -6.856 2.688 -2.062
209 HD13 ILE 32 HD13 ILE 32 -7.979 1.999 -0.898
210 H TYR 33 H TYR 33 -8.413 -0.592 -7.118
211 HA TYR 33 HA TYR 33 -5.956 0.032 -8.543
212 HB2 TYR 33 HB2 TYR 33 -7.214 -0.868 -10.531
213 HB3 TYR 33 HB3 TYR 33 -6.782 -2.054 -9.298
214 HD1 TYR 33 HD2 TYR 33 -9.526 -0.145 -10.857
215 HD2 TYR 33 HD1 TYR 33 -8.513 -3.236 -8.118
216 HE1 TYR 33 HE2 TYR 33 -11.859 -0.858 -10.799
217 HE2 TYR 33 HE1 TYR 33 -10.850 -3.955 -8.062
218 HH TYR 33 HH TYR 33 -13.103 -2.887 -10.321
219 H ALA 34 H ALA 34 -8.696 1.393 -7.523
220 HA ALA 34 HA ALA 34 -8.820 3.441 -9.600
221 HB1 ALA 34 HB1 ALA 34 -10.491 2.940 -7.131
222 HB2 ALA 34 HB2 ALA 34 -10.921 2.483 -8.776
223 HB3 ALA 34 HB3 ALA 34 -10.808 4.186 -8.338
224 H ALA 35 H ALA 35 -9.589 5.551 -7.763
225 HA ALA 35 HA ALA 35 -7.056 6.504 -6.967
226 HB1 ALA 35 HB1 ALA 35 -9.805 7.498 -6.198
227 HB2 ALA 35 HB2 ALA 35 -8.886 8.001 -7.617
228 HB3 ALA 35 HB3 ALA 35 -8.295 8.389 -6.001
229 HA PRO 36 HA PRO 36 -6.518 4.499 -2.987
230 HB2 PRO 36 HB2 PRO 36 -5.166 7.076 -2.330
231 HB3 PRO 36 HB3 PRO 36 -4.587 5.419 -2.122
232 HG2 PRO 36 HG2 PRO 36 -3.653 6.895 -4.104
233 HG3 PRO 36 HG3 PRO 36 -4.045 5.186 -4.372
234 HD2 PRO 36 HD2 PRO 36 -5.602 7.626 -5.141
235 HD3 PRO 36 HD3 PRO 36 -5.328 6.114 -6.045
236 H PHE 37 H PHE 37 -7.349 4.597 -0.954
237 HA PHE 37 HA PHE 37 -9.278 6.757 -0.465
238 HB2 PHE 37 HB2 PHE 37 -10.222 4.448 -0.828
239 HB3 PHE 37 HB3 PHE 37 -9.356 3.914 0.602
240 HD1 PHE 37 HD2 PHE 37 -12.014 6.193 -0.591
241 HD2 PHE 37 HD1 PHE 37 -10.306 4.195 2.759
242 HE1 PHE 37 HE2 PHE 37 -13.938 6.851 0.782
243 HE2 PHE 37 HE1 PHE 37 -12.230 4.853 4.138
244 HZ PHE 37 HZ PHE 37 -14.052 6.189 3.145
245 H ALA 38 H ALA 38 -6.375 5.480 0.468
246 HA ALA 38 HA ALA 38 -4.940 5.822 2.020
247 HB1 ALA 38 HB1 ALA 38 -6.770 7.876 3.275
248 HB2 ALA 38 HB2 ALA 38 -5.600 8.211 1.996
249 HB3 ALA 38 HB3 ALA 38 -5.043 7.671 3.582
250 H ARG 39 H ARG 39 -5.531 3.669 2.379
251 HA ARG 39 HA ARG 39 -6.809 3.153 4.932
252 HB2 ARG 39 HB2 ARG 39 -5.429 1.304 2.988
253 HB3 ARG 39 HB3 ARG 39 -6.316 0.802 4.410
254 HG2 ARG 39 HG2 ARG 39 -7.510 2.180 2.016
255 HG3 ARG 39 HG3 ARG 39 -7.533 0.447 2.324
256 HD2 ARG 39 HD2 ARG 39 -8.801 0.861 4.399
257 HD3 ARG 39 HD3 ARG 39 -8.832 2.584 4.007
258 HE ARG 39 HE ARG 39 -9.783 1.366 1.782
259 HH11 ARG 39 HH11 ARG 39 -10.863 1.425 5.174
260 HH12 ARG 39 HH12 ARG 39 -12.471 1.070 4.785
261 HH21 ARG 39 HH21 ARG 39 -11.977 0.874 1.290
262 HH22 ARG 39 HH22 ARG 39 -13.134 0.756 2.512
Start of MODEL 20
1 H1 CYS 1 H CYS 1 -3.358 1.116 3.327
2 HA CYS 1 HA CYS 1 -4.790 1.806 5.753
3 HB2 CYS 1 HB2 CYS 1 -4.692 -0.495 6.371
4 HB3 CYS 1 HB3 CYS 1 -5.219 -0.387 4.706
5 H GLU 2 H GLU 2 -1.950 2.283 4.663
6 HA GLU 2 HA GLU 2 -0.541 1.839 7.210
7 HB2 GLU 2 HB2 GLU 2 0.538 2.554 4.487
8 HB3 GLU 2 HB3 GLU 2 1.527 2.554 5.940
9 HG2 GLU 2 HG2 GLU 2 0.063 0.190 4.796
10 HG3 GLU 2 HG3 GLU 2 1.800 0.500 4.689
11 H ALA 3 H ALA 3 -0.919 4.407 4.781
12 HA ALA 3 HA ALA 3 -1.386 6.366 6.727
13 HB1 ALA 3 HB1 ALA 3 0.523 7.769 6.057
14 HB2 ALA 3 HB2 ALA 3 1.141 6.459 5.056
15 HB3 ALA 3 HB3 ALA 3 1.083 6.274 6.809
16 H ILE 4 H ILE 4 -2.329 8.035 5.709
17 HA ILE 4 HA ILE 4 -3.026 7.502 2.905
18 HB ILE 4 HB ILE 4 -4.658 8.965 4.994
19 HG12 ILE 4 HG12 ILE 4 -5.128 6.321 3.606
20 HG13 ILE 4 HG13 ILE 4 -4.564 6.507 5.259
21 HG21 ILE 4 HG21 ILE 4 -6.437 9.029 3.296
22 HG22 ILE 4 HG22 ILE 4 -5.315 8.365 2.109
23 HG23 ILE 4 HG23 ILE 4 -5.020 9.958 2.810
24 HD11 ILE 4 HD11 ILE 4 -7.237 7.362 4.170
25 HD12 ILE 4 HD12 ILE 4 -6.688 7.609 5.827
26 HD13 ILE 4 HD13 ILE 4 -6.920 5.972 5.211
27 H TYR 5 H TYR 5 -2.164 10.059 5.095
28 HA TYR 5 HA TYR 5 -2.043 12.021 2.963
29 HB2 TYR 5 HB2 TYR 5 -2.874 12.628 5.202
30 HB3 TYR 5 HB3 TYR 5 -1.355 12.138 5.900
31 HD1 TYR 5 HD1 TYR 5 -2.732 14.589 3.441
32 HD2 TYR 5 HD2 TYR 5 0.351 13.662 6.220
33 HE1 TYR 5 HE1 TYR 5 -1.811 16.839 3.160
34 HE2 TYR 5 HE2 TYR 5 1.281 15.900 5.949
35 HH TYR 5 HH TYR 5 -0.389 18.405 4.404
36 H ALA 6 H ALA 6 -0.067 10.235 5.124
37 HA ALA 6 HA ALA 6 2.401 11.265 3.960
38 HB1 ALA 6 HB1 ALA 6 2.027 9.200 6.134
39 HB2 ALA 6 HB2 ALA 6 2.310 10.922 6.383
40 HB3 ALA 6 HB3 ALA 6 3.559 9.923 5.642
41 H ALA 7 H ALA 7 3.697 10.168 2.588
42 HA ALA 7 HA ALA 7 2.566 7.890 1.259
43 HB1 ALA 7 HB1 ALA 7 5.142 9.367 0.737
44 HB2 ALA 7 HB2 ALA 7 3.589 9.720 -0.016
45 HB3 ALA 7 HB3 ALA 7 4.391 8.179 -0.326
46 HA PRO 8 HA PRO 8 5.309 5.247 3.710
47 HB2 PRO 8 HB2 PRO 8 3.715 3.021 3.581
48 HB3 PRO 8 HB3 PRO 8 3.488 4.303 4.771
49 HG2 PRO 8 HG2 PRO 8 1.817 3.613 2.476
50 HG3 PRO 8 HG3 PRO 8 1.454 4.678 3.836
51 HD2 PRO 8 HD2 PRO 8 2.298 5.371 1.144
52 HD3 PRO 8 HD3 PRO 8 1.735 6.432 2.449
53 H LYS 9 H LYS 9 7.006 4.248 2.703
54 HA LYS 9 HA LYS 9 6.498 3.291 -0.016
55 HB2 LYS 9 HB2 LYS 9 8.874 3.527 -0.446
56 HB3 LYS 9 HB3 LYS 9 8.162 5.041 0.082
57 HG2 LYS 9 HG2 LYS 9 9.106 4.633 2.328
58 HG3 LYS 9 HG3 LYS 9 9.883 3.177 1.694
59 HD2 LYS 9 HD2 LYS 9 11.017 4.565 0.002
60 HD3 LYS 9 HD3 LYS 9 10.300 5.997 0.737
61 HE2 LYS 9 HE2 LYS 9 11.413 5.400 2.854
62 HE3 LYS 9 HE3 LYS 9 12.211 4.068 2.022
63 HZ1 LYS 9 HZ1 LYS 9 12.496 6.945 1.383
64 HZ2 LYS 9 HZ2 LYS 9 13.171 5.722 0.487
65 HZ3 LYS 9 HZ3 LYS 9 13.685 5.969 2.069
66 H CYS 10 H CYS 10 7.278 1.313 -0.753
67 HA CYS 10 HA CYS 10 7.841 -0.612 1.409
68 HB2 CYS 10 HB2 CYS 10 6.521 -2.239 0.121
69 HB3 CYS 10 HB3 CYS 10 5.554 -0.866 0.653
70 H ARG 11 H ARG 11 9.221 -2.293 0.870
71 HA ARG 11 HA ARG 11 10.419 -2.156 -1.819
72 HB2 ARG 11 HB2 ARG 11 11.499 -3.464 0.687
73 HB3 ARG 11 HB3 ARG 11 12.281 -3.512 -0.882
74 HG2 ARG 11 HG2 ARG 11 12.502 -1.026 -0.760
75 HG3 ARG 11 HG3 ARG 11 11.850 -1.114 0.878
76 HD2 ARG 11 HD2 ARG 11 14.275 -1.012 0.960
77 HD3 ARG 11 HD3 ARG 11 13.718 -2.589 1.521
78 HE ARG 11 HE ARG 11 14.241 -2.706 -1.227
79 HH11 ARG 11 HH11 ARG 11 16.087 -2.374 1.764
80 HH12 ARG 11 HH12 ARG 11 17.468 -3.185 1.165
81 HH21 ARG 11 HH21 ARG 11 16.144 -3.773 -2.048
82 HH22 ARG 11 HH22 ARG 11 17.498 -3.987 -1.047
83 H ARG 12 H ARG 12 8.941 -4.051 0.663
84 HA ARG 12 HA ARG 12 8.134 -6.052 -1.296
85 HB2 ARG 12 HB2 ARG 12 8.275 -7.688 0.606
86 HB3 ARG 12 HB3 ARG 12 9.784 -7.225 -0.141
87 HG2 ARG 12 HG2 ARG 12 9.949 -5.510 1.802
88 HG3 ARG 12 HG3 ARG 12 8.641 -6.425 2.541
89 HD2 ARG 12 HD2 ARG 12 11.342 -7.524 1.757
90 HD3 ARG 12 HD3 ARG 12 10.849 -7.096 3.392
91 HE ARG 12 HE ARG 12 8.988 -8.866 2.561
92 HH11 ARG 12 HH11 ARG 12 12.509 -8.916 2.884
93 HH12 ARG 12 HH12 ARG 12 12.615 -10.603 3.116
94 HH21 ARG 12 HH21 ARG 12 9.159 -11.213 2.803
95 HH22 ARG 12 HH22 ARG 12 10.668 -11.948 3.039
96 H ASP 13 H ASP 13 6.190 -7.044 -0.798
97 HA ASP 13 HA ASP 13 4.185 -5.232 -0.076
98 HB2 ASP 13 HB2 ASP 13 4.165 -8.239 -0.298
99 HB3 ASP 13 HB3 ASP 13 2.753 -7.214 -0.171
100 H SER 14 H SER 14 5.757 -7.818 1.507
101 HA SER 14 HA SER 14 4.198 -8.017 3.795
102 HB2 SER 14 HB2 SER 14 6.306 -9.111 4.661
103 HB3 SER 14 HB3 SER 14 5.460 -9.806 3.253
104 HG SER 14 HG SER 14 7.082 -9.426 2.088
105 H ASP 15 H ASP 15 6.540 -5.643 3.000
106 HA ASP 15 HA ASP 15 6.974 -5.133 5.802
107 HB2 ASP 15 HB2 ASP 15 8.459 -3.232 5.331
108 HB3 ASP 15 HB3 ASP 15 8.942 -4.638 4.418
109 H CYS 16 H CYS 16 4.499 -4.351 3.775
110 HA CYS 16 HA CYS 16 3.614 -2.522 5.803
111 HB2 CYS 16 HB2 CYS 16 3.313 -2.378 2.829
112 HB3 CYS 16 HB3 CYS 16 2.126 -1.634 3.895
113 HA PRO 17 HA PRO 17 1.104 -6.138 6.277
114 HB2 PRO 17 HB2 PRO 17 0.047 -5.494 8.654
115 HB3 PRO 17 HB3 PRO 17 1.736 -5.974 8.476
116 HG2 PRO 17 HG2 PRO 17 0.556 -3.237 8.721
117 HG3 PRO 17 HG3 PRO 17 1.989 -3.911 9.516
118 HD2 PRO 17 HD2 PRO 17 2.114 -2.316 7.323
119 HD3 PRO 17 HD3 PRO 17 3.321 -3.564 7.690
120 H GLY 18 H GLY 18 -1.164 -6.413 7.408
121 HA2 GLY 18 HA2 GLY 18 -3.411 -6.203 7.358
122 HA3 GLY 18 HA3 GLY 18 -3.170 -4.494 7.021
123 H ALA 19 H ALA 19 -4.266 -3.975 5.353
124 HA ALA 19 HA ALA 19 -4.714 -5.862 3.195
125 HB1 ALA 19 HB1 ALA 19 -6.626 -4.670 4.108
126 HB2 ALA 19 HB2 ALA 19 -6.357 -4.202 2.426
127 HB3 ALA 19 HB3 ALA 19 -5.861 -3.130 3.732
128 H CYS 20 H CYS 20 -2.194 -3.915 3.877
129 HA CYS 20 HA CYS 20 -2.127 -2.654 1.305
130 HB2 CYS 20 HB2 CYS 20 -0.403 -2.366 3.738
131 HB3 CYS 20 HB3 CYS 20 -0.117 -1.542 2.215
132 H ILE 21 H ILE 21 -0.518 -2.835 -0.054
133 HA ILE 21 HA ILE 21 1.286 -5.113 0.108
134 HB ILE 21 HB ILE 21 0.740 -5.576 -2.307
135 HG12 ILE 21 HG12 ILE 21 -1.666 -3.817 -1.724
136 HG13 ILE 21 HG13 ILE 21 -0.366 -3.451 -2.846
137 HG21 ILE 21 HG21 ILE 21 -1.292 -6.886 -1.841
138 HG22 ILE 21 HG22 ILE 21 -1.451 -6.040 -0.301
139 HG23 ILE 21 HG23 ILE 21 -0.051 -7.071 -0.601
140 HD11 ILE 21 HD11 ILE 21 -2.356 -5.697 -3.110
141 HD12 ILE 21 HD12 ILE 21 -1.056 -5.332 -4.246
142 HD13 ILE 21 HD13 ILE 21 -2.365 -4.179 -4.007
143 H CYS 22 H CYS 22 2.675 -4.888 -2.069
144 HA CYS 22 HA CYS 22 3.629 -2.134 -1.936
145 HB2 CYS 22 HB2 CYS 22 5.166 -4.112 -1.420
146 HB3 CYS 22 HB3 CYS 22 5.064 -4.508 -3.134
147 H ARG 23 H ARG 23 3.254 -0.821 -3.628
148 HA ARG 23 HA ARG 23 2.176 -2.018 -6.029
149 HB2 ARG 23 HB2 ARG 23 2.261 0.816 -5.048
150 HB3 ARG 23 HB3 ARG 23 1.385 0.231 -6.449
151 HG2 ARG 23 HG2 ARG 23 0.880 -0.881 -3.726
152 HG3 ARG 23 HG3 ARG 23 0.078 0.579 -4.269
153 HD2 ARG 23 HD2 ARG 23 -1.359 -1.379 -4.626
154 HD3 ARG 23 HD3 ARG 23 -0.877 -0.715 -6.176
155 HE ARG 23 HE ARG 23 0.774 -2.884 -5.224
156 HH11 ARG 23 HH11 ARG 23 -2.187 -2.084 -7.023
157 HH12 ARG 23 HH12 ARG 23 -2.133 -3.480 -7.987
158 HH21 ARG 23 HH21 ARG 23 0.802 -4.851 -6.578
159 HH22 ARG 23 HH22 ARG 23 -0.439 -5.054 -7.727
160 H GLY 24 H GLY 24 2.756 -0.765 -8.062
161 HA2 GLY 24 HA2 GLY 24 5.513 -1.281 -8.555
162 HA3 GLY 24 HA3 GLY 24 4.357 -0.637 -9.708
163 H ASN 25 H ASN 25 4.056 1.473 -7.380
164 HA ASN 25 HA ASN 25 5.976 3.318 -8.527
165 HB2 ASN 25 HB2 ASN 25 4.750 5.037 -7.289
166 HB3 ASN 25 HB3 ASN 25 3.624 4.018 -8.171
167 HD21 ASN 25 HD21 ASN 25 2.944 5.667 -6.015
168 HD22 ASN 25 HD22 ASN 25 2.398 4.687 -4.713
169 H GLY 26 H GLY 26 5.611 1.302 -5.815
170 HA2 GLY 26 HA2 GLY 26 7.516 0.677 -4.535
171 HA3 GLY 26 HA3 GLY 26 8.151 2.306 -4.754
172 H TYR 27 H TYR 27 4.816 2.090 -4.101
173 HA TYR 27 HA TYR 27 5.327 2.798 -1.350
174 HB2 TYR 27 HB2 TYR 27 3.573 3.946 -3.410
175 HB3 TYR 27 HB3 TYR 27 3.207 4.236 -1.693
176 HD1 TYR 27 HD1 TYR 27 5.139 5.285 -0.324
177 HD2 TYR 27 HD2 TYR 27 5.062 5.314 -4.563
178 HE1 TYR 27 HE1 TYR 27 6.774 7.108 -0.328
179 HE2 TYR 27 HE2 TYR 27 6.701 7.137 -4.591
180 HH TYR 27 HH TYR 27 7.351 9.001 -2.933
181 H CYS 28 H CYS 28 3.744 2.319 0.132
182 HA CYS 28 HA CYS 28 2.549 -0.256 -0.267
183 HB2 CYS 28 HB2 CYS 28 2.352 1.590 2.112
184 HB3 CYS 28 HB3 CYS 28 2.024 -0.137 2.079
185 H GLY 29 H GLY 29 0.702 -0.372 -1.278
186 HA2 GLY 29 HA2 GLY 29 -1.324 1.697 -0.737
187 HA3 GLY 29 HA3 GLY 29 -1.139 0.897 -2.304
188 H GLU 30 H GLU 30 -3.579 0.804 -0.939
189 HA GLU 30 HA GLU 30 -3.610 -1.673 0.391
190 HB2 GLU 30 HB2 GLU 30 -4.984 0.175 1.130
191 HB3 GLU 30 HB3 GLU 30 -5.832 0.259 -0.406
192 HG2 GLU 30 HG2 GLU 30 -5.971 -2.132 1.415
193 HG3 GLU 30 HG3 GLU 30 -6.979 -0.719 1.693
194 H ALA 31 H ALA 31 -5.363 -3.233 -0.530
195 HA ALA 31 HA ALA 31 -4.270 -4.209 -2.939
196 HB1 ALA 31 HB1 ALA 31 -5.268 -5.689 -1.235
197 HB2 ALA 31 HB2 ALA 31 -5.945 -5.959 -2.841
198 HB3 ALA 31 HB3 ALA 31 -6.859 -5.044 -1.644
199 H ILE 32 H ILE 32 -7.146 -2.385 -2.196
200 HA ILE 32 HA ILE 32 -7.574 -2.236 -5.019
201 HB ILE 32 HB ILE 32 -9.450 -1.342 -2.820
202 HG12 ILE 32 HG12 ILE 32 -9.624 -3.678 -4.747
203 HG13 ILE 32 HG13 ILE 32 -9.229 -3.794 -3.039
204 HG21 ILE 32 HG21 ILE 32 -9.714 0.066 -4.804
205 HG22 ILE 32 HG22 ILE 32 -11.109 -0.998 -4.622
206 HG23 ILE 32 HG23 ILE 32 -9.868 -1.368 -5.819
207 HD11 ILE 32 HD11 ILE 32 -11.469 -2.996 -2.471
208 HD12 ILE 32 HD12 ILE 32 -11.533 -4.436 -3.486
209 HD13 ILE 32 HD13 ILE 32 -11.847 -2.849 -4.187
210 H TYR 33 H TYR 33 -7.578 -0.123 -2.365
211 HA TYR 33 HA TYR 33 -7.127 2.152 -4.102
212 HB2 TYR 33 HB2 TYR 33 -7.653 1.986 -1.155
213 HB3 TYR 33 HB3 TYR 33 -7.332 3.487 -2.001
214 HD1 TYR 33 HD2 TYR 33 -9.728 0.731 -1.576
215 HD2 TYR 33 HD1 TYR 33 -9.020 4.488 -3.423
216 HE1 TYR 33 HE2 TYR 33 -12.096 0.875 -2.163
217 HE2 TYR 33 HE1 TYR 33 -11.391 4.650 -4.017
218 HH TYR 33 HH TYR 33 -13.751 2.544 -2.734
219 H ALA 34 H ALA 34 -5.130 2.103 -4.825
220 HA ALA 34 HA ALA 34 -2.868 1.854 -2.995
221 HB1 ALA 34 HB1 ALA 34 -2.792 0.586 -5.057
222 HB2 ALA 34 HB2 ALA 34 -1.510 1.800 -5.033
223 HB3 ALA 34 HB3 ALA 34 -2.964 2.069 -5.992
224 H ALA 35 H ALA 35 -4.637 4.194 -4.711
225 HA ALA 35 HA ALA 35 -2.611 6.203 -4.804
226 HB1 ALA 35 HB1 ALA 35 -4.451 7.686 -5.507
227 HB2 ALA 35 HB2 ALA 35 -5.613 6.420 -5.112
228 HB3 ALA 35 HB3 ALA 35 -4.457 6.178 -6.421
229 HA PRO 36 HA PRO 36 -3.167 7.766 -0.697
230 HB2 PRO 36 HB2 PRO 36 -2.957 10.511 -1.547
231 HB3 PRO 36 HB3 PRO 36 -1.836 9.544 -0.574
232 HG2 PRO 36 HG2 PRO 36 -1.231 10.313 -3.133
233 HG3 PRO 36 HG3 PRO 36 -0.655 8.798 -2.419
234 HD2 PRO 36 HD2 PRO 36 -2.941 9.261 -4.291
235 HD3 PRO 36 HD3 PRO 36 -1.736 7.954 -4.277
236 H PHE 37 H PHE 37 -5.206 7.196 -0.788
237 HA PHE 37 HA PHE 37 -7.124 9.321 -0.282
238 HB2 PHE 37 HB2 PHE 37 -7.478 8.726 -2.619
239 HB3 PHE 37 HB3 PHE 37 -7.655 7.039 -2.186
240 HD1 PHE 37 HD1 PHE 37 -9.161 10.337 -1.243
241 HD2 PHE 37 HD2 PHE 37 -9.791 6.202 -2.058
242 HE1 PHE 37 HE1 PHE 37 -11.573 10.645 -0.955
243 HE2 PHE 37 HE2 PHE 37 -12.202 6.512 -1.768
244 HZ PHE 37 HZ PHE 37 -13.101 8.738 -1.213
245 H ALA 38 H ALA 38 -6.656 5.818 -0.488
246 HA ALA 38 HA ALA 38 -7.507 5.585 2.270
247 HB1 ALA 38 HB1 ALA 38 -9.191 3.902 1.831
248 HB2 ALA 38 HB2 ALA 38 -8.894 4.030 0.098
249 HB3 ALA 38 HB3 ALA 38 -9.583 5.394 0.975
250 H ARG 39 H ARG 39 -5.152 5.121 2.278
251 HA ARG 39 HA ARG 39 -4.573 2.360 1.539
252 HB2 ARG 39 HB2 ARG 39 -2.741 4.637 2.341
253 HB3 ARG 39 HB3 ARG 39 -2.211 3.003 1.977
254 HG2 ARG 39 HG2 ARG 39 -3.051 3.253 -0.321
255 HG3 ARG 39 HG3 ARG 39 -3.555 4.898 0.057
256 HD2 ARG 39 HD2 ARG 39 -0.725 3.850 0.129
257 HD3 ARG 39 HD3 ARG 39 -1.420 4.855 -1.139
258 HE ARG 39 HE ARG 39 -1.430 5.905 1.584
259 HH11 ARG 39 HH11 ARG 39 0.196 5.886 -1.588
260 HH12 ARG 39 HH12 ARG 39 0.913 7.394 -1.370
261 HH21 ARG 39 HH21 ARG 39 -0.386 7.996 1.864
262 HH22 ARG 39 HH22 ARG 39 0.550 8.628 0.612