Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
11677 | 1ru5 RC | 6068 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 1H TYR 1 1H TYR 1 0.888 -4.890 17.429
2 2H TYR 1 2H TYR 1 1.839 -4.560 18.725
3 3H TYR 1 3H TYR 1 0.383 -3.796 18.554
4 HA TYR 1 HA TYR 1 1.133 -2.290 17.107
5 1HB TYR 1 1HB TYR 1 3.334 -3.189 18.885
6 2HB TYR 1 2HB TYR 1 3.866 -2.285 17.487
7 HD1 TYR 1 1HD TYR 1 4.123 -0.029 17.697
8 HD2 TYR 1 2HD TYR 1 1.134 -1.989 20.132
9 HE1 TYR 1 1HE TYR 1 3.633 2.107 18.845
10 HE2 TYR 1 2HE TYR 1 0.631 0.174 21.228
11 HH TYR 1 HH TYR 1 2.502 3.109 20.612
12 HA PRO 2 HA PRO 2 2.422 -4.921 13.586
13 1HB PRO 2 1HB PRO 2 0.395 -4.195 11.859
14 2HB PRO 2 2HB PRO 2 0.296 -5.552 13.012
15 1HG PRO 2 1HG PRO 2 -0.990 -2.863 13.172
16 2HG PRO 2 2HG PRO 2 -1.519 -4.424 13.869
17 1HD PRO 2 1HD PRO 2 -0.147 -2.286 15.199
18 2HD PRO 2 2HD PRO 2 -0.501 -3.912 15.850
19 H ALA 3 H ALA 3 3.202 -4.220 11.519
20 HA ALA 3 HA ALA 3 3.217 -1.417 10.744
21 1HB ALA 3 1HB ALA 3 4.986 -1.875 12.722
22 2HB ALA 3 2HB ALA 3 5.987 -2.419 11.369
23 3HB ALA 3 3HB ALA 3 5.311 -0.785 11.382
24 H LYS 4 H LYS 4 2.219 -3.388 9.272
25 HA LYS 4 HA LYS 4 4.120 -4.618 7.410
26 1HB LYS 4 1HB LYS 4 1.147 -4.540 7.734
27 2HB LYS 4 2HB LYS 4 1.714 -4.601 6.066
28 1HG LYS 4 1HG LYS 4 1.316 -6.821 6.883
29 2HG LYS 4 2HG LYS 4 3.026 -6.603 6.531
30 1HD LYS 4 1HD LYS 4 3.609 -6.428 8.860
31 2HD LYS 4 2HD LYS 4 1.904 -6.369 9.357
32 1HE LYS 4 1HE LYS 4 3.070 -8.677 7.768
33 2HE LYS 4 2HE LYS 4 3.159 -8.650 9.534
34 1HZ LYS 4 1HZ LYS 4 0.556 -8.163 8.299
35 2HZ LYS 4 2HZ LYS 4 1.081 -9.697 8.287
36 3HZ LYS 4 3HZ LYS 4 0.902 -8.907 9.723
37 HA PRO 5 HA PRO 5 3.100 -1.166 4.417
38 1HB PRO 5 1HB PRO 5 1.554 1.014 5.160
39 2HB PRO 5 2HB PRO 5 0.935 -0.455 4.366
40 1HG PRO 5 1HG PRO 5 0.712 0.390 7.222
41 2HG PRO 5 2HG PRO 5 -0.364 -0.651 6.264
42 1HD PRO 5 1HD PRO 5 1.605 -1.461 8.128
43 2HD PRO 5 2HD PRO 5 0.714 -2.509 6.991
44 H GLU 6 H GLU 6 5.263 -0.615 4.605
45 HA GLU 6 HA GLU 6 6.409 0.843 6.672
46 1HB GLU 6 1HB GLU 6 7.377 -0.335 4.401
47 2HB GLU 6 2HB GLU 6 7.482 1.355 3.922
48 1HG GLU 6 1HG GLU 6 9.556 1.046 4.919
49 2HG GLU 6 2HG GLU 6 8.643 1.685 6.278
50 H ALA 7 H ALA 7 7.233 3.055 6.790
51 HA ALA 7 HA ALA 7 5.182 4.971 6.112
52 1HB ALA 7 1HB ALA 7 6.160 6.372 7.588
53 2HB ALA 7 2HB ALA 7 6.877 4.863 8.180
54 3HB ALA 7 3HB ALA 7 7.816 5.947 7.119
55 HA PRO 8 HA PRO 8 7.148 5.931 2.142
56 1HB PRO 8 1HB PRO 8 5.469 8.070 1.477
57 2HB PRO 8 2HB PRO 8 5.210 6.339 1.131
58 1HG PRO 8 1HG PRO 8 3.825 8.026 3.126
59 2HG PRO 8 2HG PRO 8 3.339 6.474 2.420
60 1HD PRO 8 1HD PRO 8 4.548 7.023 4.977
61 2HD PRO 8 2HD PRO 8 4.093 5.428 4.295
62 H GLY 9 H GLY 9 8.527 7.512 1.312
63 1HA GLY 9 1HA GLY 9 9.566 9.480 3.298
64 2HA GLY 9 2HA GLY 9 10.443 8.854 1.898
65 H GLU 10 H GLU 10 10.765 11.351 1.868
66 HA GLU 10 HA GLU 10 10.511 13.270 0.710
67 1HB GLU 10 1HB GLU 10 10.140 11.158 -0.994
68 2HB GLU 10 2HB GLU 10 8.716 12.090 -1.377
69 1HG GLU 10 1HG GLU 10 9.930 13.905 -2.187
70 2HG GLU 10 2HG GLU 10 11.352 13.564 -1.211
71 H ASP 11 H ASP 11 8.832 13.155 2.837
72 HA ASP 11 HA ASP 11 7.148 14.278 3.876
73 1HB ASP 11 1HB ASP 11 7.823 16.056 1.966
74 2HB ASP 11 2HB ASP 11 6.186 15.710 1.429
75 H ALA 12 H ALA 12 6.735 11.912 1.727
76 HA ALA 12 HA ALA 12 5.177 10.594 0.895
77 1HB ALA 12 1HB ALA 12 3.309 9.981 2.378
78 2HB ALA 12 2HB ALA 12 4.900 9.993 3.207
79 3HB ALA 12 3HB ALA 12 3.736 11.311 3.465
80 H SER 13 H SER 13 4.645 11.557 -0.975
81 HA SER 13 HA SER 13 3.082 13.910 -1.232
82 1HB SER 13 1HB SER 13 3.440 13.690 -3.455
83 2HB SER 13 2HB SER 13 4.571 12.442 -2.949
84 HG SER 13 HG SER 13 3.286 11.478 -4.442
85 HA PRO 14 HA PRO 14 -1.131 12.725 -0.810
86 1HB PRO 14 1HB PRO 14 -2.477 13.812 -2.981
87 2HB PRO 14 2HB PRO 14 -1.923 14.732 -1.555
88 1HG PRO 14 1HG PRO 14 -0.742 14.626 -4.298
89 2HG PRO 14 2HG PRO 14 -0.703 15.953 -3.098
90 1HD PRO 14 1HD PRO 14 1.342 14.108 -3.677
91 2HD PRO 14 2HD PRO 14 1.304 15.187 -2.255
92 H GLU 15 H GLU 15 0.510 11.793 -3.740
93 HA GLU 15 HA GLU 15 -1.484 9.817 -4.581
94 1HB GLU 15 1HB GLU 15 0.724 11.136 -5.773
95 2HB GLU 15 2HB GLU 15 1.248 9.463 -5.634
96 1HG GLU 15 1HG GLU 15 -0.619 8.677 -6.918
97 2HG GLU 15 2HG GLU 15 -1.479 10.211 -6.765
98 H GLU 16 H GLU 16 1.507 9.924 -2.672
99 HA GLU 16 HA GLU 16 1.845 7.103 -2.338
100 1HB GLU 16 1HB GLU 16 3.145 9.512 -1.564
101 2HB GLU 16 2HB GLU 16 2.784 8.672 -0.055
102 1HG GLU 16 1HG GLU 16 4.000 6.767 -0.648
103 2HG GLU 16 2HG GLU 16 4.010 7.129 -2.368
104 H LEU 17 H LEU 17 -0.249 9.452 -0.685
105 HA LEU 17 HA LEU 17 -0.941 7.789 1.487
106 1HB LEU 17 1HB LEU 17 -1.627 10.206 1.011
107 2HB LEU 17 2HB LEU 17 -2.903 9.572 -0.024
108 HG LEU 17 HG LEU 17 -3.494 10.265 2.353
109 1HD1 LEU 17 1HD1 LEU 17 -5.019 8.321 2.800
110 2HD1 LEU 17 2HD1 LEU 17 -5.136 9.020 1.172
111 3HD1 LEU 17 3HD1 LEU 17 -4.297 7.486 1.432
112 1HD2 LEU 17 1HD2 LEU 17 -2.384 7.594 3.241
113 2HD2 LEU 17 2HD2 LEU 17 -1.462 9.106 3.381
114 3HD2 LEU 17 3HD2 LEU 17 -3.004 8.934 4.225
115 H SER 18 H SER 18 -2.181 7.697 -1.854
116 HA SER 18 HA SER 18 -4.098 5.602 -1.424
117 1HB SER 18 1HB SER 18 -4.254 5.426 -3.772
118 2HB SER 18 2HB SER 18 -3.974 7.139 -3.419
119 HG SER 18 HG SER 18 -1.702 6.780 -3.966
120 H ARG 19 H ARG 19 -0.631 5.519 -1.682
121 HA ARG 19 HA ARG 19 -0.374 2.693 -2.308
122 1HB ARG 19 1HB ARG 19 1.800 3.164 -2.589
123 2HB ARG 19 2HB ARG 19 1.305 4.837 -2.500
124 1HG ARG 19 1HG ARG 19 3.045 4.881 -1.031
125 2HG ARG 19 2HG ARG 19 1.780 4.530 0.123
126 1HD ARG 19 1HD ARG 19 2.621 2.017 -0.814
127 2HD ARG 19 2HD ARG 19 4.101 2.976 -0.615
128 HE ARG 19 HE ARG 19 2.603 3.446 1.688
129 1HH1 ARG 19 2HH2 ARG 19 3.914 0.602 0.167
130 2HH1 ARG 19 1HH2 ARG 19 4.078 -0.277 1.661
131 1HH2 ARG 19 2HH1 ARG 19 3.167 2.386 3.614
132 2HH2 ARG 19 1HH1 ARG 19 3.552 0.744 3.552
133 H TYR 20 H TYR 20 -0.807 4.580 0.616
134 HA TYR 20 HA TYR 20 0.113 2.584 2.507
135 1HB TYR 20 1HB TYR 20 0.170 5.055 2.848
136 2HB TYR 20 2HB TYR 20 -1.584 5.077 2.891
137 HD1 TYR 20 1HD TYR 20 -2.766 4.688 4.899
138 HD2 TYR 20 2HD TYR 20 1.421 3.692 4.667
139 HE1 TYR 20 1HE TYR 20 -2.774 4.146 7.313
140 HE2 TYR 20 2HE TYR 20 1.412 3.118 7.098
141 HH TYR 20 HH TYR 20 -1.519 3.455 9.113
142 H TYR 21 H TYR 21 -2.024 1.801 0.549
143 HA TYR 21 HA TYR 21 -3.953 0.475 2.313
144 1HB TYR 21 1HB TYR 21 -4.579 2.971 0.840
145 2HB TYR 21 2HB TYR 21 -5.660 1.657 0.439
146 HD1 TYR 21 1HD TYR 21 -7.042 0.541 2.140
147 HD2 TYR 21 2HD TYR 21 -4.619 3.969 3.088
148 HE1 TYR 21 1HE TYR 21 -8.412 0.939 4.174
149 HE2 TYR 21 2HE TYR 21 -5.987 4.357 5.147
150 HH TYR 21 HH TYR 21 -8.829 2.377 5.935
151 H ALA 22 H ALA 22 -3.428 1.394 -1.187
152 HA ALA 22 HA ALA 22 -4.353 -1.147 -2.135
153 1HB ALA 22 1HB ALA 22 -2.553 -0.147 -4.052
154 2HB ALA 22 2HB ALA 22 -4.305 0.120 -3.978
155 3HB ALA 22 3HB ALA 22 -3.196 1.297 -3.263
156 H SER 23 H SER 23 -1.092 0.008 -1.180
157 HA SER 23 HA SER 23 0.255 -2.387 -2.030
158 1HB SER 23 1HB SER 23 1.172 0.007 -1.342
159 2HB SER 23 2HB SER 23 1.325 -0.749 0.255
160 HG SER 23 HG SER 23 2.637 -2.340 -0.753
161 H LEU 24 H LEU 24 -1.568 -1.620 0.922
162 HA LEU 24 HA LEU 24 -0.558 -3.608 2.690
163 1HB LEU 24 1HB LEU 24 -2.897 -1.848 2.461
164 2HB LEU 24 2HB LEU 24 -3.357 -3.382 3.155
165 HG LEU 24 HG LEU 24 -0.934 -1.930 4.219
166 1HD1 LEU 24 1HD1 LEU 24 -3.809 -1.077 4.493
167 2HD1 LEU 24 2HD1 LEU 24 -2.755 -0.946 5.913
168 3HD1 LEU 24 3HD1 LEU 24 -2.321 -0.122 4.417
169 1HD2 LEU 24 1HD2 LEU 24 -2.991 -3.337 5.907
170 2HD2 LEU 24 2HD2 LEU 24 -1.904 -4.329 4.913
171 3HD2 LEU 24 3HD2 LEU 24 -1.232 -3.209 6.110
172 H ARG 25 H ARG 25 -2.935 -3.865 0.076
173 HA ARG 25 HA ARG 25 -3.501 -6.696 0.536
174 1HB ARG 25 1HB ARG 25 -4.977 -4.946 -0.685
175 2HB ARG 25 2HB ARG 25 -3.873 -5.113 -2.037
176 1HG ARG 25 1HG ARG 25 -5.233 -6.762 -2.726
177 2HG ARG 25 2HG ARG 25 -4.437 -7.784 -1.537
178 1HD ARG 25 1HD ARG 25 -6.240 -7.758 -0.083
179 2HD ARG 25 2HD ARG 25 -6.733 -6.120 -0.546
180 HE ARG 25 HE ARG 25 -7.060 -8.134 -2.637
181 1HH1 ARG 25 2HH2 ARG 25 -8.758 -6.454 -0.054
182 2HH1 ARG 25 1HH2 ARG 25 -10.327 -6.719 -0.810
183 1HH2 ARG 25 2HH1 ARG 25 -9.150 -8.480 -3.478
184 2HH2 ARG 25 1HH1 ARG 25 -10.496 -7.722 -2.648
185 H HIS 26 H HIS 26 -1.458 -4.860 -1.772
186 HA HIS 26 HA HIS 26 -0.401 -7.168 -3.077
187 1HB HIS 26 1HB HIS 26 -0.309 -4.511 -3.585
188 2HB HIS 26 2HB HIS 26 1.292 -4.707 -2.883
189 HD1 HIS 26 1HD HIS 26 2.970 -4.922 -4.902
190 HE1 HIS 26 1HE HIS 26 0.677 -7.392 -7.504
191 H TYR 27 H TYR 27 0.466 -5.665 -0.068
192 HA TYR 27 HA TYR 27 2.945 -6.856 0.493
193 1HB TYR 27 1HB TYR 27 1.427 -5.015 1.724
194 2HB TYR 27 2HB TYR 27 0.954 -6.382 2.699
195 HD1 TYR 27 1HD TYR 27 3.462 -3.913 1.932
196 HD2 TYR 27 2HD TYR 27 2.847 -7.723 3.843
197 HE1 TYR 27 1HE TYR 27 5.569 -3.591 3.231
198 HE2 TYR 27 2HE TYR 27 4.970 -7.408 5.133
199 HH TYR 27 HH TYR 27 6.773 -4.380 5.062
200 H LEU 28 H LEU 28 -0.379 -8.034 1.058
201 HA LEU 28 HA LEU 28 0.310 -10.459 2.475
202 1HB LEU 28 1HB LEU 28 -1.906 -9.951 2.754
203 2HB LEU 28 2HB LEU 28 -2.072 -9.243 1.170
204 HG LEU 28 HG LEU 28 -2.032 -11.593 0.188
205 1HD1 LEU 28 1HD1 LEU 28 -1.135 -12.564 2.457
206 2HD1 LEU 28 2HD1 LEU 28 -2.833 -12.518 2.962
207 3HD1 LEU 28 3HD1 LEU 28 -2.350 -13.477 1.539
208 1HD2 LEU 28 1HD2 LEU 28 -4.350 -11.881 0.440
209 2HD2 LEU 28 2HD2 LEU 28 -4.383 -11.049 2.014
210 3HD2 LEU 28 3HD2 LEU 28 -4.062 -10.140 0.520
211 H ASN 29 H ASN 29 -0.043 -9.635 -0.986
212 HA ASN 29 HA ASN 29 0.610 -12.302 -1.875
213 1HB ASN 29 1HB ASN 29 0.474 -9.659 -3.359
214 2HB ASN 29 2HB ASN 29 0.829 -11.219 -4.114
215 1HD2 ASN 29 1HD2 ASN 29 -0.999 -11.560 -5.391
216 2HD2 ASN 29 2HD2 ASN 29 -2.595 -11.616 -4.635
217 H LEU 30 H LEU 30 2.575 -9.790 -0.684
218 HA LEU 30 HA LEU 30 5.032 -10.554 -2.105
219 1HB LEU 30 1HB LEU 30 5.016 -8.322 -1.739
220 2HB LEU 30 2HB LEU 30 4.139 -8.391 -0.258
221 HG LEU 30 HG LEU 30 6.874 -9.530 -0.057
222 1HD1 LEU 30 1HD1 LEU 30 8.095 -7.544 -0.149
223 2HD1 LEU 30 2HD1 LEU 30 7.120 -7.524 -1.622
224 3HD1 LEU 30 3HD1 LEU 30 6.645 -6.515 -0.240
225 1HD2 LEU 30 1HD2 LEU 30 5.794 -7.307 1.684
226 2HD2 LEU 30 2HD2 LEU 30 5.037 -8.881 1.798
227 3HD2 LEU 30 3HD2 LEU 30 6.771 -8.723 2.115
228 H VAL 31 H VAL 31 3.604 -11.026 1.159
229 HA VAL 31 HA VAL 31 5.874 -12.682 2.005
230 HB VAL 31 HB VAL 31 3.167 -12.198 3.282
231 1HG1 VAL 31 1HG1 VAL 31 3.812 -14.190 4.328
232 2HG1 VAL 31 2HG1 VAL 31 5.543 -13.808 4.243
233 3HG1 VAL 31 3HG1 VAL 31 4.493 -12.978 5.409
234 1HG2 VAL 31 1HG2 VAL 31 5.346 -11.058 4.779
235 2HG2 VAL 31 2HG2 VAL 31 5.606 -10.619 3.109
236 3HG2 VAL 31 3HG2 VAL 31 4.061 -10.224 3.882
237 H THR 32 H THR 32 3.352 -13.352 -0.093
238 HA THR 32 HA THR 32 3.471 -16.292 0.491
239 HB THR 32 HB THR 32 1.297 -14.945 0.622
240 HG1 THR 32 1HG THR 32 0.211 -16.763 -0.345
241 1HG2 THR 32 1HG2 THR 32 1.694 -14.091 -1.860
242 2HG2 THR 32 2HG2 THR 32 0.930 -15.622 -2.283
243 3HG2 THR 32 3HG2 THR 32 0.061 -14.465 -1.249
244 H ARG 33 H ARG 33 5.357 -14.542 -1.125
245 HA ARG 33 HA ARG 33 5.774 -16.442 -3.304
246 1HB ARG 33 1HB ARG 33 4.051 -14.350 -3.878
247 2HB ARG 33 2HB ARG 33 5.570 -13.665 -4.402
248 1HG ARG 33 1HG ARG 33 4.338 -16.335 -5.270
249 2HG ARG 33 2HG ARG 33 4.400 -14.834 -6.206
250 1HD ARG 33 1HD ARG 33 7.019 -15.074 -5.931
251 2HD ARG 33 2HD ARG 33 6.652 -16.751 -5.523
252 HE ARG 33 HE ARG 33 6.160 -17.142 -7.767
253 1HH1 ARG 33 2HH2 ARG 33 6.255 -13.690 -7.250
254 2HH1 ARG 33 1HH2 ARG 33 6.240 -13.286 -8.946
255 1HH2 ARG 33 2HH1 ARG 33 6.170 -16.611 -9.970
256 2HH2 ARG 33 1HH1 ARG 33 6.329 -14.941 -10.459
257 H GLN 34 H GLN 34 7.353 -15.799 -1.071
258 HA GLN 34 HA GLN 34 9.750 -14.702 -2.434
259 1HB GLN 34 1HB GLN 34 8.409 -13.266 -0.443
260 2HB GLN 34 2HB GLN 34 9.623 -14.149 0.471
261 1HG GLN 34 1HG GLN 34 10.657 -12.105 -0.128
262 2HG GLN 34 2HG GLN 34 11.347 -13.279 -1.247
263 1HE2 GLN 34 1HE2 GLN 34 11.165 -12.772 -3.545
264 2HE2 GLN 34 2HE2 GLN 34 10.075 -11.464 -4.023
265 H ARG 35 H ARG 35 11.746 -15.452 -1.595
266 HA ARG 35 HA ARG 35 11.809 -17.638 0.320
267 1HB ARG 35 1HB ARG 35 11.125 -18.438 -2.185
268 2HB ARG 35 2HB ARG 35 12.852 -18.387 -2.439
269 1HG ARG 35 1HG ARG 35 11.868 -19.778 0.055
270 2HG ARG 35 2HG ARG 35 11.466 -20.521 -1.491
271 1HD ARG 35 1HD ARG 35 13.831 -20.562 -2.141
272 2HD ARG 35 2HD ARG 35 14.286 -19.819 -0.593
273 HE ARG 35 HE ARG 35 12.768 -22.021 0.108
274 1HH1 ARG 35 2HH2 ARG 35 15.679 -21.698 -1.808
275 2HH1 ARG 35 1HH2 ARG 35 16.280 -23.270 -1.388
276 1HH2 ARG 35 2HH1 ARG 35 13.504 -24.072 0.564
277 2HH2 ARG 35 1HH1 ARG 35 15.004 -24.631 -0.089
278 H TYR 36 H TYR 36 13.524 -16.945 1.479
279 HA TYR 36 HA TYR 36 15.500 -15.989 2.064
280 1HB TYR 36 1HB TYR 36 16.345 -18.064 1.609
281 2HB TYR 36 2HB TYR 36 16.049 -17.949 -0.114
282 HD1 TYR 36 1HD TYR 36 17.838 -17.777 -1.529
283 HD2 TYR 36 2HD TYR 36 18.149 -16.155 2.453
284 HE1 TYR 36 1HE TYR 36 20.142 -16.993 -2.038
285 HE2 TYR 36 2HE TYR 36 20.431 -15.310 1.926
286 HH TYR 36 HH TYR 36 22.012 -15.070 0.307
287 1HN NH2 37 NH1 NHE 37 15.045 -13.691 1.784
288 2HN NH2 37 NH2 NHE 37 15.837 -12.895 0.433
Start of MODEL 2
1 1H TYR 1 1H TYR 1 17.772 -4.876 13.221
2 2H TYR 1 2H TYR 1 17.422 -6.450 12.885
3 3H TYR 1 3H TYR 1 17.205 -5.307 11.730
4 HA TYR 1 HA TYR 1 15.639 -5.697 14.186
5 1HB TYR 1 1HB TYR 1 16.044 -3.219 12.570
6 2HB TYR 1 2HB TYR 1 14.388 -3.618 12.937
7 HD1 TYR 1 1HD TYR 1 17.738 -3.333 14.711
8 HD2 TYR 1 2HD TYR 1 13.441 -2.847 14.953
9 HE1 TYR 1 1HE TYR 1 17.960 -2.329 16.952
10 HE2 TYR 1 2HE TYR 1 13.696 -1.848 17.209
11 HH TYR 1 HH TYR 1 16.834 -0.917 18.442
12 HA PRO 2 HA PRO 2 12.966 -7.809 11.335
13 1HB PRO 2 1HB PRO 2 10.428 -7.212 12.299
14 2HB PRO 2 2HB PRO 2 11.530 -8.433 12.989
15 1HG PRO 2 1HG PRO 2 10.847 -5.726 14.034
16 2HG PRO 2 2HG PRO 2 11.414 -7.177 14.913
17 1HD PRO 2 1HD PRO 2 12.946 -4.918 14.127
18 2HD PRO 2 2HD PRO 2 13.584 -6.445 14.800
19 H ALA 3 H ALA 3 11.467 -7.472 9.578
20 HA ALA 3 HA ALA 3 11.551 -4.795 8.402
21 1HB ALA 3 1HB ALA 3 10.198 -6.007 6.587
22 2HB ALA 3 2HB ALA 3 11.842 -6.601 6.878
23 3HB ALA 3 3HB ALA 3 10.443 -7.491 7.526
24 H LYS 4 H LYS 4 9.615 -3.702 7.656
25 HA LYS 4 HA LYS 4 7.134 -4.202 9.131
26 1HB LYS 4 1HB LYS 4 7.058 -1.849 9.977
27 2HB LYS 4 2HB LYS 4 8.318 -2.832 10.690
28 1HG LYS 4 1HG LYS 4 9.389 -0.816 10.367
29 2HG LYS 4 2HG LYS 4 9.949 -1.740 8.997
30 1HD LYS 4 1HD LYS 4 9.240 -0.081 7.625
31 2HD LYS 4 2HD LYS 4 7.584 -0.432 8.085
32 1HE LYS 4 1HE LYS 4 7.464 1.633 8.903
33 2HE LYS 4 2HE LYS 4 8.388 1.004 10.271
34 1HZ LYS 4 1HZ LYS 4 10.395 1.596 8.706
35 2HZ LYS 4 2HZ LYS 4 9.333 2.617 8.007
36 3HZ LYS 4 3HZ LYS 4 9.676 2.769 9.610
37 HA PRO 5 HA PRO 5 5.531 -2.792 5.261
38 1HB PRO 5 1HB PRO 5 3.013 -1.856 5.993
39 2HB PRO 5 2HB PRO 5 3.451 -3.564 5.739
40 1HG PRO 5 1HG PRO 5 2.999 -2.131 8.303
41 2HG PRO 5 2HG PRO 5 2.872 -3.877 7.933
42 1HD PRO 5 1HD PRO 5 5.017 -2.533 9.238
43 2HD PRO 5 2HD PRO 5 4.999 -4.229 8.675
44 H GLU 6 H GLU 6 6.135 -1.039 4.163
45 HA GLU 6 HA GLU 6 6.847 1.435 5.342
46 1HB GLU 6 1HB GLU 6 7.475 0.328 3.025
47 2HB GLU 6 2HB GLU 6 6.043 1.180 2.428
48 1HG GLU 6 1HG GLU 6 7.016 3.324 3.012
49 2HG GLU 6 2HG GLU 6 8.321 2.568 3.918
50 H ALA 7 H ALA 7 5.816 3.561 5.173
51 HA ALA 7 HA ALA 7 2.969 3.619 4.538
52 1HB ALA 7 1HB ALA 7 3.829 4.383 7.357
53 2HB ALA 7 2HB ALA 7 2.193 4.090 6.740
54 3HB ALA 7 3HB ALA 7 3.295 2.736 6.968
55 HA PRO 8 HA PRO 8 4.168 7.818 3.687
56 1HB PRO 8 1HB PRO 8 1.802 9.207 3.933
57 2HB PRO 8 2HB PRO 8 2.175 8.092 2.585
58 1HG PRO 8 1HG PRO 8 0.427 7.656 4.966
59 2HG PRO 8 2HG PRO 8 0.306 6.957 3.312
60 1HD PRO 8 1HD PRO 8 1.354 5.742 5.643
61 2HD PRO 8 2HD PRO 8 1.512 5.126 3.980
62 H GLY 9 H GLY 9 4.971 9.595 4.700
63 1HA GLY 9 1HA GLY 9 4.104 10.822 7.091
64 2HA GLY 9 2HA GLY 9 5.399 9.649 7.446
65 H GLU 10 H GLU 10 5.947 12.255 7.898
66 HA GLU 10 HA GLU 10 7.118 14.142 7.379
67 1HB GLU 10 1HB GLU 10 8.754 12.093 7.671
68 2HB GLU 10 2HB GLU 10 9.186 12.429 6.016
69 1HG GLU 10 1HG GLU 10 9.401 14.221 8.460
70 2HG GLU 10 2HG GLU 10 10.722 13.537 7.531
71 H ASP 11 H ASP 11 5.561 15.035 5.935
72 HA ASP 11 HA ASP 11 4.887 16.110 4.093
73 1HB ASP 11 1HB ASP 11 7.694 16.289 3.936
74 2HB ASP 11 2HB ASP 11 7.219 15.798 2.329
75 H ALA 12 H ALA 12 3.229 14.781 3.487
76 HA ALA 12 HA ALA 12 3.666 13.219 1.045
77 1HB ALA 12 1HB ALA 12 4.098 11.669 3.033
78 2HB ALA 12 2HB ALA 12 2.363 11.842 3.430
79 3HB ALA 12 3HB ALA 12 2.871 11.153 1.875
80 H SER 13 H SER 13 2.135 13.871 -0.291
81 HA SER 13 HA SER 13 -0.144 15.411 0.468
82 1HB SER 13 1HB SER 13 -0.405 15.756 -1.763
83 2HB SER 13 2HB SER 13 1.231 15.125 -1.842
84 HG SER 13 HG SER 13 0.490 13.343 -2.779
85 HA PRO 14 HA PRO 14 -3.279 12.383 1.189
86 1HB PRO 14 1HB PRO 14 -5.459 13.072 -0.375
87 2HB PRO 14 2HB PRO 14 -4.977 13.886 1.141
88 1HG PRO 14 1HG PRO 14 -4.615 14.812 -1.676
89 2HG PRO 14 2HG PRO 14 -4.813 15.772 -0.182
90 1HD PRO 14 1HD PRO 14 -2.437 15.188 -1.557
91 2HD PRO 14 2HD PRO 14 -2.537 15.881 0.087
92 H GLU 15 H GLU 15 -2.110 12.736 -2.087
93 HA GLU 15 HA GLU 15 -3.310 10.325 -3.145
94 1HB GLU 15 1HB GLU 15 -1.718 12.456 -4.172
95 2HB GLU 15 2HB GLU 15 -0.731 11.008 -4.323
96 1HG GLU 15 1HG GLU 15 -2.995 9.972 -5.294
97 2HG GLU 15 2HG GLU 15 -3.387 11.669 -5.576
98 H GLU 16 H GLU 16 -0.481 11.011 -1.115
99 HA GLU 16 HA GLU 16 0.836 8.503 -1.669
100 1HB GLU 16 1HB GLU 16 1.587 10.858 -0.407
101 2HB GLU 16 2HB GLU 16 1.317 9.791 0.962
102 1HG GLU 16 1HG GLU 16 3.593 9.525 0.433
103 2HG GLU 16 2HG GLU 16 2.829 8.083 -0.202
104 H LEU 17 H LEU 17 -1.621 9.543 0.681
105 HA LEU 17 HA LEU 17 -1.529 7.165 2.284
106 1HB LEU 17 1HB LEU 17 -2.805 9.517 2.541
107 2HB LEU 17 2HB LEU 17 -4.133 8.616 1.834
108 HG LEU 17 HG LEU 17 -4.145 8.756 4.315
109 1HD1 LEU 17 1HD1 LEU 17 -5.419 6.924 3.688
110 2HD1 LEU 17 2HD1 LEU 17 -4.043 6.007 3.076
111 3HD1 LEU 17 3HD1 LEU 17 -4.261 6.188 4.809
112 1HD2 LEU 17 1HD2 LEU 17 -2.567 7.750 5.736
113 2HD2 LEU 17 2HD2 LEU 17 -1.792 6.873 4.413
114 3HD2 LEU 17 3HD2 LEU 17 -1.628 8.645 4.537
115 H SER 18 H SER 18 -3.349 7.938 -0.694
116 HA SER 18 HA SER 18 -4.694 5.442 -0.918
117 1HB SER 18 1HB SER 18 -3.726 7.201 -3.205
118 2HB SER 18 2HB SER 18 -5.090 6.052 -3.210
119 HG SER 18 HG SER 18 -5.373 8.508 -2.722
120 H ARG 19 H ARG 19 -1.345 6.302 -1.612
121 HA ARG 19 HA ARG 19 -0.680 3.930 -3.135
122 1HB ARG 19 1HB ARG 19 1.267 4.959 -3.441
123 2HB ARG 19 2HB ARG 19 0.517 6.330 -2.687
124 1HG ARG 19 1HG ARG 19 2.462 6.304 -1.561
125 2HG ARG 19 2HG ARG 19 1.565 5.301 -0.432
126 1HD ARG 19 1HD ARG 19 2.626 3.340 -1.062
127 2HD ARG 19 2HD ARG 19 3.137 4.007 -2.631
128 HE ARG 19 HE ARG 19 4.234 5.479 -0.385
129 1HH1 ARG 19 2HH2 ARG 19 4.833 2.653 -2.362
130 2HH1 ARG 19 1HH2 ARG 19 6.553 2.698 -2.030
131 1HH2 ARG 19 2HH1 ARG 19 6.432 5.463 -0.011
132 2HH2 ARG 19 1HH1 ARG 19 7.263 3.965 -0.273
133 H TYR 20 H TYR 20 -0.857 4.643 0.277
134 HA TYR 20 HA TYR 20 0.702 2.405 1.218
135 1HB TYR 20 1HB TYR 20 0.332 4.404 2.540
136 2HB TYR 20 2HB TYR 20 -1.387 4.151 2.559
137 HD1 TYR 20 1HD TYR 20 -2.122 3.718 4.704
138 HD2 TYR 20 2HD TYR 20 1.441 1.736 3.274
139 HE1 TYR 20 1HE TYR 20 -2.037 2.352 6.772
140 HE2 TYR 20 2HE TYR 20 1.497 0.363 5.325
141 HH TYR 20 HH TYR 20 -0.890 0.752 7.942
142 H TYR 21 H TYR 21 -2.812 2.980 1.176
143 HA TYR 21 HA TYR 21 -3.731 0.435 1.989
144 1HB TYR 21 1HB TYR 21 -4.805 2.775 0.478
145 2HB TYR 21 2HB TYR 21 -5.615 1.258 0.176
146 HD1 TYR 21 1HD TYR 21 -7.346 0.583 1.545
147 HD2 TYR 21 2HD TYR 21 -4.436 3.371 3.081
148 HE1 TYR 21 1HE TYR 21 -8.681 0.822 3.639
149 HE2 TYR 21 2HE TYR 21 -5.769 3.605 5.169
150 HH TYR 21 HH TYR 21 -7.558 2.761 6.391
151 H ALA 22 H ALA 22 -2.747 1.506 -1.267
152 HA ALA 22 HA ALA 22 -3.390 -0.963 -2.592
153 1HB ALA 22 1HB ALA 22 -1.287 1.102 -3.387
154 2HB ALA 22 2HB ALA 22 -2.202 -0.002 -4.443
155 3HB ALA 22 3HB ALA 22 -3.030 1.340 -3.630
156 H SER 23 H SER 23 -0.320 0.343 -1.217
157 HA SER 23 HA SER 23 1.318 -1.906 -1.744
158 1HB SER 23 1HB SER 23 1.678 0.562 -0.501
159 2HB SER 23 2HB SER 23 1.883 -0.578 0.834
160 HG SER 23 HG SER 23 3.219 -0.604 -1.674
161 H LEU 24 H LEU 24 -0.833 -1.289 1.050
162 HA LEU 24 HA LEU 24 -0.201 -3.535 2.621
163 1HB LEU 24 1HB LEU 24 -2.780 -2.007 2.202
164 2HB LEU 24 2HB LEU 24 -2.702 -3.353 3.327
165 HG LEU 24 HG LEU 24 -0.826 -0.968 3.545
166 1HD1 LEU 24 1HD1 LEU 24 -2.600 -0.562 5.555
167 2HD1 LEU 24 2HD1 LEU 24 -2.763 0.177 3.962
168 3HD1 LEU 24 3HD1 LEU 24 -3.698 -1.282 4.363
169 1HD2 LEU 24 1HD2 LEU 24 -0.452 -1.747 5.778
170 2HD2 LEU 24 2HD2 LEU 24 -1.746 -2.952 5.663
171 3HD2 LEU 24 3HD2 LEU 24 -0.248 -3.152 4.736
172 H ARG 25 H ARG 25 -2.658 -3.412 -0.010
173 HA ARG 25 HA ARG 25 -3.282 -6.239 0.212
174 1HB ARG 25 1HB ARG 25 -4.006 -4.049 -1.630
175 2HB ARG 25 2HB ARG 25 -3.600 -5.506 -2.525
176 1HG ARG 25 1HG ARG 25 -5.838 -5.911 -2.159
177 2HG ARG 25 2HG ARG 25 -5.138 -6.749 -0.779
178 1HD ARG 25 1HD ARG 25 -6.847 -5.502 0.219
179 2HD ARG 25 2HD ARG 25 -5.443 -4.444 0.463
180 HE ARG 25 HE ARG 25 -6.924 -4.009 -2.037
181 1HH1 ARG 25 2HH2 ARG 25 -6.864 -3.086 1.314
182 2HH1 ARG 25 1HH2 ARG 25 -7.840 -1.667 1.090
183 1HH2 ARG 25 2HH1 ARG 25 -7.848 -2.003 -2.392
184 2HH2 ARG 25 1HH1 ARG 25 -8.384 -1.059 -1.025
185 H HIS 26 H HIS 26 -0.954 -4.483 -1.828
186 HA HIS 26 HA HIS 26 0.070 -6.834 -3.066
187 1HB HIS 26 1HB HIS 26 0.379 -4.190 -3.507
188 2HB HIS 26 2HB HIS 26 1.891 -4.479 -2.642
189 HD1 HIS 26 1HD HIS 26 3.609 -4.463 -4.673
190 HE1 HIS 26 1HE HIS 26 1.669 -7.200 -7.277
191 H TYR 27 H TYR 27 0.759 -5.467 0.066
192 HA TYR 27 HA TYR 27 3.061 -6.925 0.797
193 1HB TYR 27 1HB TYR 27 1.517 -4.975 1.938
194 2HB TYR 27 2HB TYR 27 0.964 -6.339 2.869
195 HD1 TYR 27 1HD TYR 27 3.935 -4.396 1.800
196 HD2 TYR 27 2HD TYR 27 2.340 -7.250 4.612
197 HE1 TYR 27 1HE TYR 27 5.976 -4.144 3.225
198 HE2 TYR 27 2HE TYR 27 4.349 -6.998 6.029
199 HH TYR 27 HH TYR 27 6.350 -5.970 6.270
200 H LEU 28 H LEU 28 -0.399 -7.703 1.248
201 HA LEU 28 HA LEU 28 -0.066 -10.277 2.480
202 1HB LEU 28 1HB LEU 28 -2.208 -9.473 2.676
203 2HB LEU 28 2HB LEU 28 -2.234 -8.787 1.067
204 HG LEU 28 HG LEU 28 -2.465 -11.126 0.114
205 1HD1 LEU 28 1HD1 LEU 28 -1.689 -12.471 2.046
206 2HD1 LEU 28 2HD1 LEU 28 -3.041 -11.858 3.022
207 3HD1 LEU 28 3HD1 LEU 28 -3.345 -12.884 1.606
208 1HD2 LEU 28 1HD2 LEU 28 -4.330 -9.561 0.345
209 2HD2 LEU 28 2HD2 LEU 28 -4.847 -11.237 0.577
210 3HD2 LEU 28 3HD2 LEU 28 -4.654 -10.166 1.988
211 H ASN 29 H ASN 29 -0.187 -9.297 -0.978
212 HA ASN 29 HA ASN 29 0.120 -11.965 -2.012
213 1HB ASN 29 1HB ASN 29 0.644 -9.189 -3.131
214 2HB ASN 29 2HB ASN 29 1.088 -10.634 -4.027
215 1HD2 ASN 29 1HD2 ASN 29 -0.363 -10.563 -5.705
216 2HD2 ASN 29 2HD2 ASN 29 -2.107 -10.645 -5.395
217 H LEU 30 H LEU 30 2.438 -9.974 -0.380
218 HA LEU 30 HA LEU 30 4.769 -11.255 -1.614
219 1HB LEU 30 1HB LEU 30 4.229 -8.796 -0.215
220 2HB LEU 30 2HB LEU 30 5.310 -9.687 0.811
221 HG LEU 30 HG LEU 30 6.357 -9.950 -1.852
222 1HD1 LEU 30 1HD1 LEU 30 4.827 -7.984 -2.346
223 2HD1 LEU 30 2HD1 LEU 30 5.783 -7.041 -1.190
224 3HD1 LEU 30 3HD1 LEU 30 6.554 -7.707 -2.650
225 1HD2 LEU 30 1HD2 LEU 30 8.257 -8.779 -0.953
226 2HD2 LEU 30 2HD2 LEU 30 7.295 -8.124 0.387
227 3HD2 LEU 30 3HD2 LEU 30 7.620 -9.870 0.293
228 H VAL 31 H VAL 31 3.573 -10.958 1.753
229 HA VAL 31 HA VAL 31 5.107 -13.290 2.635
230 HB VAL 31 HB VAL 31 3.111 -11.438 3.909
231 1HG1 VAL 31 1HG1 VAL 31 4.150 -14.000 5.188
232 2HG1 VAL 31 2HG1 VAL 31 3.496 -12.625 6.103
233 3HG1 VAL 31 3HG1 VAL 31 2.459 -13.496 4.980
234 1HG2 VAL 31 1HG2 VAL 31 5.654 -11.006 3.619
235 2HG2 VAL 31 2HG2 VAL 31 4.948 -10.751 5.218
236 3HG2 VAL 31 3HG2 VAL 31 5.871 -12.228 4.885
237 H THR 32 H THR 32 2.036 -12.964 1.062
238 HA THR 32 HA THR 32 0.359 -14.342 0.541
239 HB THR 32 HB THR 32 1.963 -15.163 -0.915
240 HG1 THR 32 1HG THR 32 0.419 -16.456 -1.339
241 1HG2 THR 32 1HG2 THR 32 2.903 -17.111 1.204
242 2HG2 THR 32 2HG2 THR 32 3.313 -17.203 -0.529
243 3HG2 THR 32 3HG2 THR 32 3.834 -15.817 0.412
244 H ARG 33 H ARG 33 1.100 -14.137 3.382
245 HA ARG 33 HA ARG 33 -0.892 -15.954 4.597
246 1HB ARG 33 1HB ARG 33 2.109 -16.160 4.958
247 2HB ARG 33 2HB ARG 33 1.093 -16.458 6.348
248 1HG ARG 33 1HG ARG 33 -0.263 -18.006 4.636
249 2HG ARG 33 2HG ARG 33 1.284 -18.027 3.787
250 1HD ARG 33 1HD ARG 33 1.638 -18.501 6.685
251 2HD ARG 33 2HD ARG 33 0.414 -19.577 6.019
252 HE ARG 33 HE ARG 33 2.069 -20.778 4.944
253 1HH1 ARG 33 2HH2 ARG 33 3.482 -17.666 5.685
254 2HH1 ARG 33 1HH2 ARG 33 5.080 -18.121 5.163
255 1HH2 ARG 33 2HH1 ARG 33 3.958 -21.380 4.354
256 2HH2 ARG 33 1HH1 ARG 33 5.358 -20.301 4.356
257 H GLN 34 H GLN 34 -0.422 -12.948 4.279
258 HA GLN 34 HA GLN 34 -0.553 -12.253 7.181
259 1HB GLN 34 1HB GLN 34 1.369 -11.349 5.495
260 2HB GLN 34 2HB GLN 34 0.171 -10.082 5.262
261 1HG GLN 34 1HG GLN 34 0.052 -9.795 7.749
262 2HG GLN 34 2HG GLN 34 1.266 -11.070 7.938
263 1HE2 GLN 34 1HE2 GLN 34 1.306 -8.039 8.629
264 2HE2 GLN 34 2HE2 GLN 34 2.803 -7.571 7.819
265 H ARG 35 H ARG 35 -2.725 -12.740 7.273
266 HA ARG 35 HA ARG 35 -4.782 -11.812 5.602
267 1HB ARG 35 1HB ARG 35 -4.641 -12.666 8.483
268 2HB ARG 35 2HB ARG 35 -6.015 -11.671 8.018
269 1HG ARG 35 1HG ARG 35 -6.328 -13.323 6.031
270 2HG ARG 35 2HG ARG 35 -5.267 -14.404 6.931
271 1HD ARG 35 1HD ARG 35 -6.912 -14.949 8.395
272 2HD ARG 35 2HD ARG 35 -7.350 -13.275 8.692
273 HE ARG 35 HE ARG 35 -8.816 -15.107 7.151
274 1HH1 ARG 35 2HH2 ARG 35 -7.853 -11.738 6.900
275 2HH1 ARG 35 1HH2 ARG 35 -9.221 -11.298 5.917
276 1HH2 ARG 35 2HH1 ARG 35 -10.557 -14.503 5.896
277 2HH2 ARG 35 1HH1 ARG 35 -10.739 -12.849 5.382
278 H TYR 36 H TYR 36 -5.154 -9.896 4.899
279 HA TYR 36 HA TYR 36 -4.325 -7.449 6.077
280 1HB TYR 36 1HB TYR 36 -4.613 -7.571 3.728
281 2HB TYR 36 2HB TYR 36 -6.228 -8.253 3.869
282 HD1 TYR 36 1HD TYR 36 -4.406 -5.125 4.981
283 HD2 TYR 36 2HD TYR 36 -8.006 -6.867 3.351
284 HE1 TYR 36 1HE TYR 36 -5.421 -2.865 4.799
285 HE2 TYR 36 2HE TYR 36 -9.002 -4.596 3.136
286 HH TYR 36 HH TYR 36 -7.234 -1.642 4.072
287 1HN NH2 37 NH1 NHE 37 -5.319 -6.081 7.580
288 2HN NH2 37 NH2 NHE 37 -6.924 -6.427 8.219
Start of MODEL 3
1 1H TYR 1 1H TYR 1 14.116 5.785 9.466
2 2H TYR 1 2H TYR 1 12.615 5.862 8.791
3 3H TYR 1 3H TYR 1 12.818 6.262 10.373
4 HA TYR 1 HA TYR 1 13.288 3.580 9.272
5 1HB TYR 1 1HB TYR 1 13.577 4.812 11.993
6 2HB TYR 1 2HB TYR 1 12.965 3.163 11.906
7 HD1 TYR 1 1HD TYR 1 15.957 5.113 11.994
8 HD2 TYR 1 2HD TYR 1 14.262 1.438 10.495
9 HE1 TYR 1 1HE TYR 1 18.238 4.109 11.816
10 HE2 TYR 1 2HE TYR 1 16.536 0.455 10.320
11 HH TYR 1 HH TYR 1 18.896 1.159 10.160
12 HA PRO 2 HA PRO 2 8.725 3.917 9.486
13 1HB PRO 2 1HB PRO 2 8.244 2.585 7.095
14 2HB PRO 2 2HB PRO 2 8.408 4.353 7.278
15 1HG PRO 2 1HG PRO 2 10.335 2.422 6.103
16 2HG PRO 2 2HG PRO 2 10.164 4.181 5.835
17 1HD PRO 2 1HD PRO 2 12.058 2.836 7.524
18 2HD PRO 2 2HD PRO 2 11.815 4.591 7.345
19 H ALA 3 H ALA 3 7.180 1.976 9.320
20 HA ALA 3 HA ALA 3 8.228 -0.250 10.833
21 1HB ALA 3 1HB ALA 3 5.932 -1.042 10.742
22 2HB ALA 3 2HB ALA 3 5.905 0.697 11.022
23 3HB ALA 3 3HB ALA 3 5.547 0.062 9.405
24 H LYS 4 H LYS 4 7.583 -2.545 9.978
25 HA LYS 4 HA LYS 4 9.123 -3.319 7.715
26 1HB LYS 4 1HB LYS 4 7.100 -4.668 9.475
27 2HB LYS 4 2HB LYS 4 7.262 -5.324 7.861
28 1HG LYS 4 1HG LYS 4 8.790 -6.583 9.075
29 2HG LYS 4 2HG LYS 4 9.787 -5.397 8.233
30 1HD LYS 4 1HD LYS 4 9.160 -4.075 10.620
31 2HD LYS 4 2HD LYS 4 9.236 -5.745 11.150
32 1HE LYS 4 1HE LYS 4 11.461 -4.730 9.372
33 2HE LYS 4 2HE LYS 4 11.331 -4.021 10.985
34 1HZ LYS 4 1HZ LYS 4 12.595 -5.795 11.479
35 2HZ LYS 4 2HZ LYS 4 11.140 -6.533 11.634
36 3HZ LYS 4 3HZ LYS 4 12.020 -6.750 10.262
37 HA PRO 5 HA PRO 5 5.386 -3.046 4.857
38 1HB PRO 5 1HB PRO 5 3.030 -1.860 5.711
39 2HB PRO 5 2HB PRO 5 3.356 -3.612 5.712
40 1HG PRO 5 1HG PRO 5 3.323 -1.716 8.014
41 2HG PRO 5 2HG PRO 5 3.010 -3.485 7.982
42 1HD PRO 5 1HD PRO 5 5.382 -2.170 8.773
43 2HD PRO 5 2HD PRO 5 5.184 -3.916 8.501
44 H GLU 6 H GLU 6 4.613 -1.300 3.479
45 HA GLU 6 HA GLU 6 6.376 0.902 3.597
46 1HB GLU 6 1HB GLU 6 4.961 -0.200 1.626
47 2HB GLU 6 2HB GLU 6 3.783 1.043 2.103
48 1HG GLU 6 1HG GLU 6 4.868 2.638 1.125
49 2HG GLU 6 2HG GLU 6 6.413 2.251 1.838
50 H ALA 7 H ALA 7 5.783 3.241 3.703
51 HA ALA 7 HA ALA 7 3.517 3.844 5.466
52 1HB ALA 7 1HB ALA 7 6.207 4.781 6.435
53 2HB ALA 7 2HB ALA 7 4.745 4.339 7.359
54 3HB ALA 7 3HB ALA 7 5.780 3.069 6.718
55 HA PRO 8 HA PRO 8 3.780 7.711 3.331
56 1HB PRO 8 1HB PRO 8 2.853 9.537 5.196
57 2HB PRO 8 2HB PRO 8 1.813 8.375 4.335
58 1HG PRO 8 1HG PRO 8 2.750 8.258 7.154
59 2HG PRO 8 2HG PRO 8 1.247 7.628 6.409
60 1HD PRO 8 1HD PRO 8 3.579 6.166 7.038
61 2HD PRO 8 2HD PRO 8 2.221 5.590 6.025
62 H GLY 9 H GLY 9 4.965 9.736 3.176
63 1HA GLY 9 1HA GLY 9 6.735 10.768 5.130
64 2HA GLY 9 2HA GLY 9 7.627 9.673 4.049
65 H GLU 10 H GLU 10 8.231 12.385 4.111
66 HA GLU 10 HA GLU 10 8.302 14.368 2.977
67 1HB GLU 10 1HB GLU 10 8.748 12.208 0.977
68 2HB GLU 10 2HB GLU 10 8.395 13.790 0.301
69 1HG GLU 10 1HG GLU 10 10.163 14.780 1.812
70 2HG GLU 10 2HG GLU 10 10.678 13.123 2.154
71 H ASP 11 H ASP 11 6.205 14.923 3.805
72 HA ASP 11 HA ASP 11 4.225 16.037 3.587
73 1HB ASP 11 1HB ASP 11 5.473 16.668 1.201
74 2HB ASP 11 2HB ASP 11 3.972 15.955 0.631
75 H ALA 12 H ALA 12 2.730 14.636 4.477
76 HA ALA 12 HA ALA 12 1.987 12.167 3.152
77 1HB ALA 12 1HB ALA 12 0.792 11.653 5.065
78 2HB ALA 12 2HB ALA 12 2.080 12.678 5.714
79 3HB ALA 12 3HB ALA 12 0.451 13.343 5.478
80 H SER 13 H SER 13 1.566 13.428 1.186
81 HA SER 13 HA SER 13 -0.661 15.110 0.773
82 1HB SER 13 1HB SER 13 0.102 15.177 -1.376
83 2HB SER 13 2HB SER 13 1.512 14.388 -0.681
84 HG SER 13 HG SER 13 1.031 12.994 -2.221
85 HA PRO 14 HA PRO 14 -4.106 12.363 0.344
86 1HB PRO 14 1HB PRO 14 -5.401 13.017 -2.007
87 2HB PRO 14 2HB PRO 14 -5.459 13.975 -0.500
88 1HG PRO 14 1HG PRO 14 -3.910 14.516 -3.001
89 2HG PRO 14 2HG PRO 14 -4.575 15.673 -1.807
90 1HD PRO 14 1HD PRO 14 -1.912 14.769 -2.019
91 2HD PRO 14 2HD PRO 14 -2.595 15.667 -0.633
92 H GLU 15 H GLU 15 -1.677 12.268 -2.174
93 HA GLU 15 HA GLU 15 -2.571 9.747 -3.387
94 1HB GLU 15 1HB GLU 15 -1.310 11.207 -4.764
95 2HB GLU 15 2HB GLU 15 -0.033 11.423 -3.573
96 1HG GLU 15 1HG GLU 15 0.816 9.222 -3.875
97 2HG GLU 15 2HG GLU 15 -0.601 8.700 -4.792
98 H GLU 16 H GLU 16 -0.727 10.708 -0.521
99 HA GLU 16 HA GLU 16 0.708 8.275 -0.208
100 1HB GLU 16 1HB GLU 16 0.601 10.737 1.099
101 2HB GLU 16 2HB GLU 16 -0.068 9.636 2.296
102 1HG GLU 16 1HG GLU 16 2.345 9.874 2.559
103 2HG GLU 16 2HG GLU 16 1.931 8.229 2.107
104 H LEU 17 H LEU 17 -2.654 9.098 0.577
105 HA LEU 17 HA LEU 17 -3.134 6.763 2.188
106 1HB LEU 17 1HB LEU 17 -4.738 8.895 0.970
107 2HB LEU 17 2HB LEU 17 -5.527 7.355 0.732
108 HG LEU 17 HG LEU 17 -6.319 8.421 2.751
109 1HD1 LEU 17 1HD1 LEU 17 -5.908 6.607 4.403
110 2HD1 LEU 17 2HD1 LEU 17 -6.340 6.030 2.787
111 3HD1 LEU 17 3HD1 LEU 17 -4.670 5.924 3.346
112 1HD2 LEU 17 1HD2 LEU 17 -4.310 9.745 3.296
113 2HD2 LEU 17 2HD2 LEU 17 -4.931 8.849 4.692
114 3HD2 LEU 17 3HD2 LEU 17 -3.480 8.274 3.846
115 H SER 18 H SER 18 -3.222 7.254 -1.304
116 HA SER 18 HA SER 18 -4.099 4.581 -2.027
117 1HB SER 18 1HB SER 18 -4.351 5.898 -3.839
118 2HB SER 18 2HB SER 18 -3.055 7.000 -3.396
119 HG SER 18 HG SER 18 -1.632 5.820 -4.414
120 H ARG 19 H ARG 19 -0.948 6.019 -1.229
121 HA ARG 19 HA ARG 19 0.656 3.744 -1.937
122 1HB ARG 19 1HB ARG 19 2.342 5.042 -1.283
123 2HB ARG 19 2HB ARG 19 1.172 6.296 -1.049
124 1HG ARG 19 1HG ARG 19 2.174 6.438 0.984
125 2HG ARG 19 2HG ARG 19 1.047 5.219 1.456
126 1HD ARG 19 1HD ARG 19 2.903 4.281 2.261
127 2HD ARG 19 2HD ARG 19 2.923 3.542 0.659
128 HE ARG 19 HE ARG 19 4.665 5.671 1.765
129 1HH1 ARG 19 2HH2 ARG 19 4.211 3.546 -1.015
130 2HH1 ARG 19 1HH2 ARG 19 5.582 4.203 -1.828
131 1HH2 ARG 19 2HH1 ARG 19 6.377 6.449 0.634
132 2HH2 ARG 19 1HH1 ARG 19 6.798 5.770 -0.924
133 H TYR 20 H TYR 20 -1.194 4.491 0.973
134 HA TYR 20 HA TYR 20 -0.068 2.352 2.566
135 1HB TYR 20 1HB TYR 20 -1.084 4.507 3.402
136 2HB TYR 20 2HB TYR 20 -2.665 3.901 2.958
137 HD1 TYR 20 1HD TYR 20 0.253 3.425 5.204
138 HD2 TYR 20 2HD TYR 20 -3.807 2.262 4.348
139 HE1 TYR 20 1HE TYR 20 0.098 2.338 7.440
140 HE2 TYR 20 2HE TYR 20 -3.961 1.174 6.579
141 HH TYR 20 HH TYR 20 -2.424 0.231 8.322
142 H TYR 21 H TYR 21 -3.187 2.814 0.903
143 HA TYR 21 HA TYR 21 -4.269 0.219 1.378
144 1HB TYR 21 1HB TYR 21 -4.736 2.414 -0.649
145 2HB TYR 21 2HB TYR 21 -5.493 0.850 -0.887
146 HD1 TYR 21 1HD TYR 21 -6.735 -0.194 1.137
147 HD2 TYR 21 2HD TYR 21 -5.963 4.010 0.663
148 HE1 TYR 21 1HE TYR 21 -8.619 0.311 2.681
149 HE2 TYR 21 2HE TYR 21 -7.910 4.520 2.160
150 HH TYR 21 HH TYR 21 -9.774 1.922 3.718
151 H ALA 22 H ALA 22 -2.554 1.433 -1.599
152 HA ALA 22 HA ALA 22 -2.574 -1.146 -2.809
153 1HB ALA 22 1HB ALA 22 -1.359 -0.182 -4.526
154 2HB ALA 22 2HB ALA 22 -2.161 1.229 -3.835
155 3HB ALA 22 3HB ALA 22 -0.457 0.891 -3.447
156 H SER 23 H SER 23 -0.167 0.447 -0.627
157 HA SER 23 HA SER 23 1.800 -1.594 -0.675
158 1HB SER 23 1HB SER 23 2.369 0.367 0.476
159 2HB SER 23 2HB SER 23 0.935 0.303 1.520
160 HG SER 23 HG SER 23 1.812 -1.237 2.711
161 H LEU 24 H LEU 24 -1.040 -1.307 1.603
162 HA LEU 24 HA LEU 24 -0.457 -3.676 2.997
163 1HB LEU 24 1HB LEU 24 -2.366 -3.302 4.129
164 2HB LEU 24 2HB LEU 24 -2.298 -1.773 3.299
165 HG LEU 24 HG LEU 24 -3.807 -3.043 1.497
166 1HD1 LEU 24 1HD1 LEU 24 -4.647 -4.541 3.999
167 2HD1 LEU 24 2HD1 LEU 24 -5.208 -4.764 2.324
168 3HD1 LEU 24 3HD1 LEU 24 -3.581 -5.260 2.800
169 1HD2 LEU 24 1HD2 LEU 24 -5.608 -2.492 3.713
170 2HD2 LEU 24 2HD2 LEU 24 -4.404 -1.212 3.503
171 3HD2 LEU 24 3HD2 LEU 24 -5.406 -1.716 2.141
172 H ARG 25 H ARG 25 -2.250 -3.272 -0.021
173 HA ARG 25 HA ARG 25 -2.913 -6.063 -0.358
174 1HB ARG 25 1HB ARG 25 -3.966 -3.973 -1.494
175 2HB ARG 25 2HB ARG 25 -2.592 -4.047 -2.612
176 1HG ARG 25 1HG ARG 25 -3.192 -6.433 -3.110
177 2HG ARG 25 2HG ARG 25 -4.613 -6.270 -2.065
178 1HD ARG 25 1HD ARG 25 -5.753 -4.939 -3.560
179 2HD ARG 25 2HD ARG 25 -4.279 -4.217 -4.224
180 HE ARG 25 HE ARG 25 -4.210 -6.920 -4.930
181 1HH1 ARG 25 2HH2 ARG 25 -6.242 -4.178 -5.707
182 2HH1 ARG 25 1HH2 ARG 25 -6.534 -4.688 -7.344
183 1HH2 ARG 25 2HH1 ARG 25 -4.643 -7.603 -7.025
184 2HH2 ARG 25 1HH1 ARG 25 -5.650 -6.630 -8.056
185 H HIS 26 H HIS 26 -0.195 -4.057 -1.611
186 HA HIS 26 HA HIS 26 1.083 -6.177 -3.028
187 1HB HIS 26 1HB HIS 26 1.530 -3.470 -2.771
188 2HB HIS 26 2HB HIS 26 2.850 -4.107 -1.811
189 HD1 HIS 26 1HD HIS 26 4.933 -4.037 -3.448
190 HE1 HIS 26 1HE HIS 26 3.108 -5.450 -7.017
191 H TYR 27 H TYR 27 1.214 -5.236 0.369
192 HA TYR 27 HA TYR 27 3.285 -7.011 1.210
193 1HB TYR 27 1HB TYR 27 1.696 -4.956 2.362
194 2HB TYR 27 2HB TYR 27 1.271 -6.378 3.267
195 HD1 TYR 27 1HD TYR 27 4.295 -4.693 1.819
196 HD2 TYR 27 2HD TYR 27 2.588 -6.820 5.162
197 HE1 TYR 27 1HE TYR 27 6.486 -4.596 3.001
198 HE2 TYR 27 2HE TYR 27 4.774 -6.674 6.362
199 HH TYR 27 HH TYR 27 7.480 -4.843 5.142
200 H LEU 28 H LEU 28 -0.274 -7.281 1.495
201 HA LEU 28 HA LEU 28 -0.398 -9.948 2.478
202 1HB LEU 28 1HB LEU 28 -2.385 -8.806 2.655
203 2HB LEU 28 2HB LEU 28 -2.218 -8.028 1.087
204 HG LEU 28 HG LEU 28 -2.798 -10.228 -0.023
205 1HD1 LEU 28 1HD1 LEU 28 -2.327 -11.785 1.852
206 2HD1 LEU 28 2HD1 LEU 28 -3.605 -11.013 2.814
207 3HD1 LEU 28 3HD1 LEU 28 -4.005 -11.899 1.324
208 1HD2 LEU 28 1HD2 LEU 28 -4.832 -8.946 1.824
209 2HD2 LEU 28 2HD2 LEU 28 -4.381 -8.412 0.190
210 3HD2 LEU 28 3HD2 LEU 28 -5.197 -9.963 0.409
211 H ASN 29 H ASN 29 -0.359 -8.769 -0.949
212 HA ASN 29 HA ASN 29 -0.330 -11.418 -2.066
213 1HB ASN 29 1HB ASN 29 0.409 -8.648 -3.082
214 2HB ASN 29 2HB ASN 29 0.709 -10.086 -4.053
215 1HD2 ASN 29 1HD2 ASN 29 -0.753 -9.015 -5.575
216 2HD2 ASN 29 2HD2 ASN 29 -2.462 -9.442 -5.361
217 H LEU 30 H LEU 30 2.196 -9.728 -0.415
218 HA LEU 30 HA LEU 30 4.361 -11.204 -1.752
219 1HB LEU 30 1HB LEU 30 4.134 -8.743 -0.234
220 2HB LEU 30 2HB LEU 30 5.150 -9.778 0.684
221 HG LEU 30 HG LEU 30 6.093 -10.056 -1.999
222 1HD1 LEU 30 1HD1 LEU 30 6.634 -7.655 -2.531
223 2HD1 LEU 30 2HD1 LEU 30 4.910 -8.058 -2.685
224 3HD1 LEU 30 3HD1 LEU 30 5.483 -7.162 -1.268
225 1HD2 LEU 30 1HD2 LEU 30 8.117 -9.290 -1.144
226 2HD2 LEU 30 2HD2 LEU 30 7.340 -8.249 0.073
227 3HD2 LEU 30 3HD2 LEU 30 7.330 -10.015 0.259
228 H VAL 31 H VAL 31 3.216 -10.824 1.614
229 HA VAL 31 HA VAL 31 4.648 -13.215 2.511
230 HB VAL 31 HB VAL 31 2.483 -11.609 3.916
231 1HG1 VAL 31 1HG1 VAL 31 4.506 -13.641 4.963
232 2HG1 VAL 31 2HG1 VAL 31 3.615 -12.519 6.013
233 3HG1 VAL 31 3HG1 VAL 31 2.737 -13.728 5.078
234 1HG2 VAL 31 1HG2 VAL 31 4.134 -10.267 4.911
235 2HG2 VAL 31 2HG2 VAL 31 5.452 -11.386 4.494
236 3HG2 VAL 31 3HG2 VAL 31 4.709 -10.364 3.253
237 H THR 32 H THR 32 1.592 -12.659 0.990
238 HA THR 32 HA THR 32 -0.223 -13.884 0.517
239 HB THR 32 HB THR 32 1.208 -14.804 -1.074
240 HG1 THR 32 1HG THR 32 -0.367 -16.596 0.349
241 1HG2 THR 32 1HG2 THR 32 3.153 -15.551 0.123
242 2HG2 THR 32 2HG2 THR 32 2.201 -16.744 1.040
243 3HG2 THR 32 3HG2 THR 32 2.456 -16.954 -0.704
244 H ARG 33 H ARG 33 0.339 -13.668 3.269
245 HA ARG 33 HA ARG 33 -1.531 -15.455 4.544
246 1HB ARG 33 1HB ARG 33 0.508 -16.942 4.073
247 2HB ARG 33 2HB ARG 33 1.422 -15.952 5.172
248 1HG ARG 33 1HG ARG 33 -1.203 -17.035 6.192
249 2HG ARG 33 2HG ARG 33 0.025 -18.225 5.788
250 1HD ARG 33 1HD ARG 33 1.467 -16.355 7.285
251 2HD ARG 33 2HD ARG 33 -0.118 -16.357 8.067
252 HE ARG 33 HE ARG 33 0.695 -19.047 7.609
253 1HH1 ARG 33 2HH2 ARG 33 1.576 -16.342 9.632
254 2HH1 ARG 33 1HH2 ARG 33 2.288 -17.336 10.884
255 1HH2 ARG 33 2HH1 ARG 33 1.664 -20.300 9.170
256 2HH2 ARG 33 1HH1 ARG 33 2.329 -19.574 10.603
257 H GLN 34 H GLN 34 -1.466 -12.686 4.555
258 HA GLN 34 HA GLN 34 -0.891 -12.191 7.415
259 1HB GLN 34 1HB GLN 34 0.912 -11.200 5.652
260 2HB GLN 34 2HB GLN 34 -0.289 -9.914 5.576
261 1HG GLN 34 1HG GLN 34 1.195 -9.239 7.281
262 2HG GLN 34 2HG GLN 34 -0.185 -9.888 8.168
263 1HE2 GLN 34 1HE2 GLN 34 3.253 -10.044 7.829
264 2HE2 GLN 34 2HE2 GLN 34 3.407 -11.547 8.768
265 H ARG 35 H ARG 35 -2.675 -11.641 8.353
266 HA ARG 35 HA ARG 35 -5.003 -10.657 6.847
267 1HB ARG 35 1HB ARG 35 -6.154 -10.727 9.029
268 2HB ARG 35 2HB ARG 35 -5.406 -12.258 8.618
269 1HG ARG 35 1HG ARG 35 -3.529 -10.660 10.185
270 2HG ARG 35 2HG ARG 35 -5.079 -10.701 11.007
271 1HD ARG 35 1HD ARG 35 -5.068 -13.077 11.155
272 2HD ARG 35 2HD ARG 35 -3.788 -13.234 9.933
273 HE ARG 35 HE ARG 35 -2.778 -11.689 12.081
274 1HH1 ARG 35 2HH2 ARG 35 -3.696 -15.003 11.500
275 2HH1 ARG 35 1HH2 ARG 35 -2.614 -15.640 12.712
276 1HH2 ARG 35 2HH1 ARG 35 -1.375 -12.516 13.568
277 2HH2 ARG 35 1HH1 ARG 35 -1.241 -14.225 13.820
278 H TYR 36 H TYR 36 -6.012 -8.684 7.194
279 HA TYR 36 HA TYR 36 -4.410 -6.340 7.506
280 1HB TYR 36 1HB TYR 36 -6.403 -6.298 6.186
281 2HB TYR 36 2HB TYR 36 -7.388 -6.946 7.490
282 HD1 TYR 36 1HD TYR 36 -5.911 -3.908 6.064
283 HD2 TYR 36 2HD TYR 36 -8.053 -5.563 9.417
284 HE1 TYR 36 1HE TYR 36 -6.459 -1.602 6.867
285 HE2 TYR 36 2HE TYR 36 -8.573 -3.276 10.228
286 HH TYR 36 HH TYR 36 -8.104 -1.015 9.954
287 1HN NH2 37 NH1 NHE 37 -4.499 -4.697 9.277
288 2HN NH2 37 NH2 NHE 37 -4.836 -5.271 10.902
Start of MODEL 4
1 1H TYR 1 1H TYR 1 15.169 -8.883 -0.544
2 2H TYR 1 2H TYR 1 14.044 -7.703 -0.229
3 3H TYR 1 3H TYR 1 15.538 -7.603 0.443
4 HA TYR 1 HA TYR 1 14.150 -10.022 1.028
5 1HB TYR 1 1HB TYR 1 14.905 -9.372 3.375
6 2HB TYR 1 2HB TYR 1 16.166 -9.629 2.199
7 HD1 TYR 1 1HD TYR 1 14.086 -6.829 3.699
8 HD2 TYR 1 2HD TYR 1 17.884 -8.037 2.006
9 HE1 TYR 1 1HE TYR 1 14.995 -4.566 4.113
10 HE2 TYR 1 2HE TYR 1 18.792 -5.769 2.475
11 HH TYR 1 HH TYR 1 18.042 -3.790 4.327
12 HA PRO 2 HA PRO 2 10.376 -8.052 2.430
13 1HB PRO 2 1HB PRO 2 9.490 -9.891 4.254
14 2HB PRO 2 2HB PRO 2 9.419 -10.149 2.489
15 1HG PRO 2 1HG PRO 2 11.328 -11.336 4.478
16 2HG PRO 2 2HG PRO 2 10.731 -12.013 2.933
17 1HD PRO 2 1HD PRO 2 13.203 -10.740 3.416
18 2HD PRO 2 2HD PRO 2 12.525 -11.183 1.818
19 H ALA 3 H ALA 3 9.410 -7.119 4.351
20 HA ALA 3 HA ALA 3 10.449 -7.054 6.932
21 1HB ALA 3 1HB ALA 3 11.397 -4.631 6.776
22 2HB ALA 3 2HB ALA 3 12.419 -5.927 6.185
23 3HB ALA 3 3HB ALA 3 11.512 -4.919 5.039
24 H LYS 4 H LYS 4 9.587 -4.939 7.994
25 HA LYS 4 HA LYS 4 6.869 -4.628 7.959
26 1HB LYS 4 1HB LYS 4 7.318 -2.346 8.979
27 2HB LYS 4 2HB LYS 4 8.097 -3.709 9.744
28 1HG LYS 4 1HG LYS 4 9.521 -1.710 9.648
29 2HG LYS 4 2HG LYS 4 10.274 -3.084 8.838
30 1HD LYS 4 1HD LYS 4 9.909 -2.154 6.684
31 2HD LYS 4 2HD LYS 4 8.675 -1.036 7.298
32 1HE LYS 4 1HE LYS 4 10.403 0.338 6.821
33 2HE LYS 4 2HE LYS 4 10.578 0.124 8.567
34 1HZ LYS 4 1HZ LYS 4 12.560 -0.912 8.229
35 2HZ LYS 4 2HZ LYS 4 12.007 -1.805 6.950
36 3HZ LYS 4 3HZ LYS 4 12.511 -0.267 6.723
37 HA PRO 5 HA PRO 5 5.779 -2.482 4.329
38 1HB PRO 5 1HB PRO 5 3.509 -1.065 5.028
39 2HB PRO 5 2HB PRO 5 3.563 -2.821 4.732
40 1HG PRO 5 1HG PRO 5 3.433 -1.371 7.338
41 2HG PRO 5 2HG PRO 5 2.815 -2.992 6.902
42 1HD PRO 5 1HD PRO 5 5.205 -2.400 8.297
43 2HD PRO 5 2HD PRO 5 4.766 -3.983 7.590
44 H GLU 6 H GLU 6 5.455 -0.355 3.277
45 HA GLU 6 HA GLU 6 7.512 1.420 3.981
46 1HB GLU 6 1HB GLU 6 5.970 1.132 1.764
47 2HB GLU 6 2HB GLU 6 5.136 2.495 2.494
48 1HG GLU 6 1HG GLU 6 6.701 3.610 1.218
49 2HG GLU 6 2HG GLU 6 7.564 3.534 2.746
50 H ALA 7 H ALA 7 7.519 3.517 4.868
51 HA ALA 7 HA ALA 7 5.152 4.421 6.367
52 1HB ALA 7 1HB ALA 7 6.068 4.284 8.463
53 2HB ALA 7 2HB ALA 7 6.642 2.777 7.735
54 3HB ALA 7 3HB ALA 7 7.742 4.160 7.888
55 HA PRO 8 HA PRO 8 7.448 7.891 4.433
56 1HB PRO 8 1HB PRO 8 5.215 9.394 3.773
57 2HB PRO 8 2HB PRO 8 5.937 8.143 2.733
58 1HG PRO 8 1HG PRO 8 3.431 7.997 4.324
59 2HG PRO 8 2HG PRO 8 3.926 7.054 2.894
60 1HD PRO 8 1HD PRO 8 4.004 6.218 5.601
61 2HD PRO 8 2HD PRO 8 4.627 5.349 4.164
62 H GLY 9 H GLY 9 7.585 10.161 5.130
63 1HA GLY 9 1HA GLY 9 6.148 11.158 7.392
64 2HA GLY 9 2HA GLY 9 7.780 10.598 7.828
65 H GLU 10 H GLU 10 7.048 13.269 7.996
66 HA GLU 10 HA GLU 10 7.824 15.369 7.583
67 1HB GLU 10 1HB GLU 10 9.996 13.861 6.992
68 2HB GLU 10 2HB GLU 10 9.692 14.539 5.417
69 1HG GLU 10 1HG GLU 10 11.070 16.159 6.167
70 2HG GLU 10 2HG GLU 10 9.572 16.835 6.777
71 H ASP 11 H ASP 11 7.095 13.482 4.719
72 HA ASP 11 HA ASP 11 5.541 15.734 3.532
73 1HB ASP 11 1HB ASP 11 7.976 14.648 2.584
74 2HB ASP 11 2HB ASP 11 6.776 13.832 1.611
75 H ALA 12 H ALA 12 4.928 13.078 5.066
76 HA ALA 12 HA ALA 12 3.431 11.392 3.277
77 1HB ALA 12 1HB ALA 12 3.134 11.533 6.298
78 2HB ALA 12 2HB ALA 12 2.828 10.164 5.217
79 3HB ALA 12 3HB ALA 12 4.484 10.723 5.500
80 H SER 13 H SER 13 2.421 13.322 2.313
81 HA SER 13 HA SER 13 0.347 14.806 3.472
82 1HB SER 13 1HB SER 13 0.112 15.715 1.397
83 2HB SER 13 2HB SER 13 1.627 14.882 1.098
84 HG SER 13 HG SER 13 0.622 13.468 -0.140
85 HA PRO 14 HA PRO 14 -3.211 12.192 3.619
86 1HB PRO 14 1HB PRO 14 -5.295 13.567 2.432
87 2HB PRO 14 2HB PRO 14 -4.631 13.921 4.055
88 1HG PRO 14 1HG PRO 14 -4.204 15.401 1.486
89 2HG PRO 14 2HG PRO 14 -4.211 16.020 3.167
90 1HD PRO 14 1HD PRO 14 -1.973 15.420 1.563
91 2HD PRO 14 2HD PRO 14 -1.927 15.713 3.328
92 H GLU 15 H GLU 15 -2.038 13.138 0.483
93 HA GLU 15 HA GLU 15 -3.665 11.208 -0.996
94 1HB GLU 15 1HB GLU 15 -1.993 13.391 -1.690
95 2HB GLU 15 2HB GLU 15 -1.079 11.983 -2.201
96 1HG GLU 15 1HG GLU 15 -3.747 11.478 -3.072
97 2HG GLU 15 2HG GLU 15 -3.529 13.204 -3.301
98 H GLU 16 H GLU 16 -0.646 11.168 0.861
99 HA GLU 16 HA GLU 16 0.343 8.737 -0.337
100 1HB GLU 16 1HB GLU 16 1.370 10.665 1.478
101 2HB GLU 16 2HB GLU 16 1.221 9.202 2.422
102 1HG GLU 16 1HG GLU 16 3.086 8.395 1.523
103 2HG GLU 16 2HG GLU 16 2.361 8.377 -0.055
104 H LEU 17 H LEU 17 -1.893 9.475 2.287
105 HA LEU 17 HA LEU 17 -1.988 6.879 3.450
106 1HB LEU 17 1HB LEU 17 -3.405 9.272 3.802
107 2HB LEU 17 2HB LEU 17 -4.622 8.198 3.145
108 HG LEU 17 HG LEU 17 -3.735 6.477 4.967
109 1HD1 LEU 17 1HD1 LEU 17 -3.029 7.819 7.055
110 2HD1 LEU 17 2HD1 LEU 17 -1.804 7.584 5.798
111 3HD1 LEU 17 3HD1 LEU 17 -2.639 9.145 5.942
112 1HD2 LEU 17 1HD2 LEU 17 -5.946 7.176 5.098
113 2HD2 LEU 17 2HD2 LEU 17 -5.283 7.666 6.658
114 3HD2 LEU 17 3HD2 LEU 17 -5.521 8.878 5.386
115 H SER 18 H SER 18 -3.588 8.144 0.517
116 HA SER 18 HA SER 18 -5.123 5.754 -0.056
117 1HB SER 18 1HB SER 18 -4.171 7.807 -2.076
118 2HB SER 18 2HB SER 18 -5.600 6.760 -2.149
119 HG SER 18 HG SER 18 -5.800 8.128 0.076
120 H ARG 19 H ARG 19 -1.745 6.517 -0.429
121 HA ARG 19 HA ARG 19 -1.205 4.507 -2.484
122 1HB ARG 19 1HB ARG 19 0.834 5.454 -2.559
123 2HB ARG 19 2HB ARG 19 0.122 6.718 -1.602
124 1HG ARG 19 1HG ARG 19 1.982 6.354 -0.373
125 2HG ARG 19 2HG ARG 19 0.974 5.225 0.482
126 1HD ARG 19 1HD ARG 19 2.258 3.503 -0.046
127 2HD ARG 19 2HD ARG 19 2.214 3.897 -1.774
128 HE ARG 19 HE ARG 19 3.911 5.692 -0.245
129 1HH1 ARG 19 2HH2 ARG 19 3.923 2.600 -1.833
130 2HH1 ARG 19 1HH2 ARG 19 5.664 2.558 -2.016
131 1HH2 ARG 19 2HH1 ARG 19 6.124 5.653 -0.526
132 2HH2 ARG 19 1HH1 ARG 19 6.873 4.270 -1.295
133 H TYR 20 H TYR 20 -1.439 4.578 0.989
134 HA TYR 20 HA TYR 20 -0.010 2.115 1.527
135 1HB TYR 20 1HB TYR 20 -0.201 4.106 3.035
136 2HB TYR 20 2HB TYR 20 -1.892 3.707 3.286
137 HD1 TYR 20 1HD TYR 20 1.570 2.237 3.582
138 HD2 TYR 20 2HD TYR 20 -2.489 2.260 5.049
139 HE1 TYR 20 1HE TYR 20 2.228 0.724 5.438
140 HE2 TYR 20 2HE TYR 20 -1.840 0.738 6.901
141 HH TYR 20 HH TYR 20 -0.148 -0.423 7.865
142 H TYR 21 H TYR 21 -2.445 2.181 -0.302
143 HA TYR 21 HA TYR 21 -4.093 0.034 0.928
144 1HB TYR 21 1HB TYR 21 -4.789 2.361 -0.852
145 2HB TYR 21 2HB TYR 21 -5.766 0.910 -0.886
146 HD1 TYR 21 1HD TYR 21 -7.627 0.815 0.499
147 HD2 TYR 21 2HD TYR 21 -4.285 3.259 1.663
148 HE1 TYR 21 1HE TYR 21 -8.904 1.636 2.488
149 HE2 TYR 21 2HE TYR 21 -5.529 4.070 3.634
150 HH TYR 21 HH TYR 21 -7.499 3.988 4.763
151 H ALA 22 H ALA 22 -2.945 1.267 -2.246
152 HA ALA 22 HA ALA 22 -3.395 -1.167 -3.642
153 1HB ALA 22 1HB ALA 22 -1.206 0.817 -4.363
154 2HB ALA 22 2HB ALA 22 -2.273 -0.120 -5.433
155 3HB ALA 22 3HB ALA 22 -2.918 1.253 -4.520
156 H SER 23 H SER 23 -0.519 0.089 -1.942
157 HA SER 23 HA SER 23 1.182 -2.165 -2.538
158 1HB SER 23 1HB SER 23 1.644 0.307 -1.453
159 2HB SER 23 2HB SER 23 1.665 -0.695 0.012
160 HG SER 23 HG SER 23 3.360 -0.747 -2.226
161 H LEU 24 H LEU 24 -1.087 -1.492 0.169
162 HA LEU 24 HA LEU 24 -0.446 -3.569 1.908
163 1HB LEU 24 1HB LEU 24 -2.160 -2.733 3.016
164 2HB LEU 24 2HB LEU 24 -2.472 -1.660 1.686
165 HG LEU 24 HG LEU 24 -4.075 -3.388 0.736
166 1HD1 LEU 24 1HD1 LEU 24 -3.041 -4.997 2.942
167 2HD1 LEU 24 2HD1 LEU 24 -4.791 -4.804 3.091
168 3HD1 LEU 24 3HD1 LEU 24 -4.105 -5.451 1.599
169 1HD2 LEU 24 1HD2 LEU 24 -4.631 -2.151 3.434
170 2HD2 LEU 24 2HD2 LEU 24 -5.026 -1.529 1.818
171 3HD2 LEU 24 3HD2 LEU 24 -5.868 -2.938 2.413
172 H ARG 25 H ARG 25 -2.575 -3.726 -0.938
173 HA ARG 25 HA ARG 25 -3.210 -6.514 -0.630
174 1HB ARG 25 1HB ARG 25 -4.413 -4.710 -2.053
175 2HB ARG 25 2HB ARG 25 -3.160 -5.010 -3.277
176 1HG ARG 25 1HG ARG 25 -3.791 -7.493 -3.147
177 2HG ARG 25 2HG ARG 25 -5.121 -7.027 -2.085
178 1HD ARG 25 1HD ARG 25 -6.389 -6.597 -3.883
179 2HD ARG 25 2HD ARG 25 -5.290 -5.287 -4.322
180 HE ARG 25 HE ARG 25 -4.409 -7.966 -5.135
181 1HH1 ARG 25 2HH2 ARG 25 -6.222 -5.166 -6.185
182 2HH1 ARG 25 1HH2 ARG 25 -6.116 -5.566 -7.874
183 1HH2 ARG 25 2HH1 ARG 25 -4.284 -8.486 -7.321
184 2HH2 ARG 25 1HH1 ARG 25 -5.118 -7.508 -8.478
185 H HIS 26 H HIS 26 -0.706 -4.835 -2.540
186 HA HIS 26 HA HIS 26 0.385 -7.261 -3.606
187 1HB HIS 26 1HB HIS 26 0.748 -4.636 -4.190
188 2HB HIS 26 2HB HIS 26 2.206 -4.932 -3.247
189 HD1 HIS 26 1HD HIS 26 4.042 -5.146 -5.130
190 HE1 HIS 26 1HE HIS 26 2.125 -7.934 -7.716
191 H TYR 27 H TYR 27 0.774 -5.647 -0.537
192 HA TYR 27 HA TYR 27 2.935 -7.258 0.440
193 1HB TYR 27 1HB TYR 27 1.304 -5.046 1.360
194 2HB TYR 27 2HB TYR 27 1.336 -6.271 2.596
195 HD1 TYR 27 1HD TYR 27 2.940 -3.388 1.603
196 HD2 TYR 27 2HD TYR 27 3.842 -7.446 2.684
197 HE1 TYR 27 1HE TYR 27 5.264 -2.726 2.216
198 HE2 TYR 27 2HE TYR 27 6.126 -6.779 3.411
199 HH TYR 27 HH TYR 27 7.437 -4.835 3.996
200 H LEU 28 H LEU 28 -0.599 -7.600 0.621
201 HA LEU 28 HA LEU 28 -0.777 -9.778 2.401
202 1HB LEU 28 1HB LEU 28 -2.832 -8.919 1.905
203 2HB LEU 28 2HB LEU 28 -2.427 -8.591 0.254
204 HG LEU 28 HG LEU 28 -2.674 -11.076 -0.245
205 1HD1 LEU 28 1HD1 LEU 28 -3.650 -11.023 2.616
206 2HD1 LEU 28 2HD1 LEU 28 -4.341 -12.166 1.446
207 3HD1 LEU 28 3HD1 LEU 28 -2.612 -12.209 1.804
208 1HD2 LEU 28 1HD2 LEU 28 -5.276 -9.943 0.707
209 2HD2 LEU 28 2HD2 LEU 28 -4.397 -9.171 -0.617
210 3HD2 LEU 28 3HD2 LEU 28 -4.884 -10.860 -0.757
211 H ASN 29 H ASN 29 -0.139 -9.860 -1.113
212 HA ASN 29 HA ASN 29 0.268 -12.747 -1.057
213 1HB ASN 29 1HB ASN 29 0.755 -12.652 -3.355
214 2HB ASN 29 2HB ASN 29 -0.606 -11.577 -3.059
215 1HD2 ASN 29 1HD2 ASN 29 -0.433 -9.619 -4.189
216 2HD2 ASN 29 2HD2 ASN 29 1.201 -8.972 -4.559
217 H LEU 30 H LEU 30 2.170 -10.410 0.224
218 HA LEU 30 HA LEU 30 4.747 -11.672 -0.523
219 1HB LEU 30 1HB LEU 30 3.899 -9.014 -0.460
220 2HB LEU 30 2HB LEU 30 4.738 -9.145 1.055
221 HG LEU 30 HG LEU 30 6.381 -10.403 -0.978
222 1HD1 LEU 30 1HD1 LEU 30 6.710 -8.475 -2.510
223 2HD1 LEU 30 2HD1 LEU 30 5.075 -9.166 -2.634
224 3HD1 LEU 30 3HD1 LEU 30 5.326 -7.651 -1.760
225 1HD2 LEU 30 1HD2 LEU 30 8.042 -8.952 -0.259
226 2HD2 LEU 30 2HD2 LEU 30 6.898 -7.653 0.159
227 3HD2 LEU 30 3HD2 LEU 30 7.017 -9.102 1.177
228 H VAL 31 H VAL 31 2.922 -10.481 2.304
229 HA VAL 31 HA VAL 31 4.576 -11.832 4.275
230 HB VAL 31 HB VAL 31 1.759 -10.700 4.508
231 1HG1 VAL 31 1HG1 VAL 31 3.727 -11.686 6.614
232 2HG1 VAL 31 2HG1 VAL 31 2.402 -10.563 6.992
233 3HG1 VAL 31 3HG1 VAL 31 2.034 -12.178 6.382
234 1HG2 VAL 31 1HG2 VAL 31 3.364 -8.989 3.929
235 2HG2 VAL 31 2HG2 VAL 31 2.942 -8.794 5.627
236 3HG2 VAL 31 3HG2 VAL 31 4.503 -9.534 5.175
237 H THR 32 H THR 32 2.044 -12.945 2.161
238 HA THR 32 HA THR 32 1.297 -15.284 3.665
239 HB THR 32 HB THR 32 -0.068 -14.335 1.791
240 HG1 THR 32 1HG THR 32 0.834 -16.991 1.731
241 1HG2 THR 32 1HG2 THR 32 1.713 -15.939 -0.079
242 2HG2 THR 32 2HG2 THR 32 0.399 -14.824 -0.473
243 3HG2 THR 32 3HG2 THR 32 1.942 -14.210 0.177
244 H ARG 33 H ARG 33 4.318 -14.697 2.857
245 HA ARG 33 HA ARG 33 5.048 -17.511 2.772
246 1HB ARG 33 1HB ARG 33 4.594 -16.544 0.284
247 2HB ARG 33 2HB ARG 33 6.236 -15.949 0.464
248 1HG ARG 33 1HG ARG 33 6.499 -18.539 1.413
249 2HG ARG 33 2HG ARG 33 5.175 -18.761 0.277
250 1HD ARG 33 1HD ARG 33 7.669 -17.280 -0.593
251 2HD ARG 33 2HD ARG 33 7.739 -19.032 -0.378
252 HE ARG 33 HE ARG 33 5.470 -18.435 -1.980
253 1HH1 ARG 33 2HH2 ARG 33 8.953 -18.443 -2.236
254 2HH1 ARG 33 1HH2 ARG 33 8.957 -18.843 -3.937
255 1HH2 ARG 33 2HH1 ARG 33 5.503 -18.952 -4.185
256 2HH2 ARG 33 1HH1 ARG 33 7.031 -19.051 -5.021
257 H GLN 34 H GLN 34 5.532 -15.662 4.762
258 HA GLN 34 HA GLN 34 8.494 -15.409 4.631
259 1HB GLN 34 1HB GLN 34 7.040 -13.296 4.000
260 2HB GLN 34 2HB GLN 34 6.874 -13.089 5.723
261 1HG GLN 34 1HG GLN 34 9.654 -13.627 4.666
262 2HG GLN 34 2HG GLN 34 8.847 -12.145 4.197
263 1HE2 GLN 34 1HE2 GLN 34 10.460 -13.787 6.910
264 2HE2 GLN 34 2HE2 GLN 34 10.360 -12.326 7.901
265 H ARG 35 H ARG 35 8.127 -17.382 5.927
266 HA ARG 35 HA ARG 35 8.040 -18.586 7.887
267 1HB ARG 35 1HB ARG 35 10.135 -17.340 8.225
268 2HB ARG 35 2HB ARG 35 9.237 -16.034 9.003
269 1HG ARG 35 1HG ARG 35 8.422 -17.993 10.659
270 2HG ARG 35 2HG ARG 35 9.822 -18.832 10.003
271 1HD ARG 35 1HD ARG 35 10.649 -17.744 11.910
272 2HD ARG 35 2HD ARG 35 11.121 -16.643 10.599
273 HE ARG 35 HE ARG 35 8.529 -15.939 11.634
274 1HH1 ARG 35 2HH2 ARG 35 11.889 -15.675 12.423
275 2HH1 ARG 35 1HH2 ARG 35 11.697 -14.287 13.481
276 1HH2 ARG 35 2HH1 ARG 35 8.247 -14.310 13.193
277 2HH2 ARG 35 1HH1 ARG 35 9.652 -13.486 13.819
278 H TYR 36 H TYR 36 5.796 -18.761 7.920
279 HA TYR 36 HA TYR 36 4.000 -16.996 9.186
280 1HB TYR 36 1HB TYR 36 3.613 -19.084 7.682
281 2HB TYR 36 2HB TYR 36 3.685 -20.017 9.171
282 HD1 TYR 36 1HD TYR 36 1.815 -19.957 10.752
283 HD2 TYR 36 2HD TYR 36 1.877 -17.371 7.301
284 HE1 TYR 36 1HE TYR 36 -0.576 -19.357 11.152
285 HE2 TYR 36 2HE TYR 36 -0.494 -16.768 7.698
286 HH TYR 36 HH TYR 36 -2.248 -16.960 9.106
287 1HN NH2 37 NH1 NHE 37 5.585 -19.934 10.723
288 2HN NH2 37 NH2 NHE 37 5.301 -19.294 12.338
Start of MODEL 5
1 1H TYR 1 1H TYR 1 7.767 3.677 15.842
2 2H TYR 1 2H TYR 1 7.122 3.546 17.352
3 3H TYR 1 3H TYR 1 8.762 3.508 17.153
4 HA TYR 1 HA TYR 1 8.530 1.303 17.207
5 1HB TYR 1 1HB TYR 1 6.406 0.159 16.817
6 2HB TYR 1 2HB TYR 1 6.222 1.449 17.980
7 HD1 TYR 1 1HD TYR 1 5.084 3.653 17.249
8 HD2 TYR 1 2HD TYR 1 5.062 0.060 14.842
9 HE1 TYR 1 1HE TYR 1 3.265 4.570 15.861
10 HE2 TYR 1 2HE TYR 1 3.225 0.986 13.480
11 HH TYR 1 HH TYR 1 1.300 3.309 14.366
12 HA PRO 2 HA PRO 2 9.505 0.623 12.914
13 1HB PRO 2 1HB PRO 2 9.606 -2.127 12.741
14 2HB PRO 2 2HB PRO 2 10.887 -1.110 13.456
15 1HG PRO 2 1HG PRO 2 8.849 -2.815 14.826
16 2HG PRO 2 2HG PRO 2 10.481 -2.330 15.375
17 1HD PRO 2 1HD PRO 2 7.990 -1.207 16.149
18 2HD PRO 2 2HD PRO 2 9.608 -0.545 16.517
19 H ALA 3 H ALA 3 8.627 -0.132 10.916
20 HA ALA 3 HA ALA 3 5.918 -1.310 10.937
21 1HB ALA 3 1HB ALA 3 5.117 0.334 9.362
22 2HB ALA 3 2HB ALA 3 5.728 1.182 10.796
23 3HB ALA 3 3HB ALA 3 6.702 1.129 9.313
24 H LYS 4 H LYS 4 6.343 -3.212 9.978
25 HA LYS 4 HA LYS 4 8.318 -3.840 8.017
26 1HB LYS 4 1HB LYS 4 5.692 -5.021 8.891
27 2HB LYS 4 2HB LYS 4 6.328 -5.554 7.345
28 1HG LYS 4 1HG LYS 4 7.949 -6.816 8.249
29 2HG LYS 4 2HG LYS 4 8.431 -5.568 9.391
30 1HD LYS 4 1HD LYS 4 7.640 -6.890 11.009
31 2HD LYS 4 2HD LYS 4 6.038 -6.403 10.517
32 1HE LYS 4 1HE LYS 4 5.936 -8.729 10.610
33 2HE LYS 4 2HE LYS 4 6.059 -8.396 8.882
34 1HZ LYS 4 1HZ LYS 4 7.605 -10.175 9.949
35 2HZ LYS 4 2HZ LYS 4 8.266 -9.129 8.865
36 3HZ LYS 4 3HZ LYS 4 8.495 -8.911 10.470
37 HA PRO 5 HA PRO 5 5.470 -2.534 4.536
38 1HB PRO 5 1HB PRO 5 3.140 -1.152 4.962
39 2HB PRO 5 2HB PRO 5 3.239 -2.930 4.849
40 1HG PRO 5 1HG PRO 5 2.931 -1.230 7.298
41 2HG PRO 5 2HG PRO 5 2.332 -2.882 6.973
42 1HD PRO 5 1HD PRO 5 4.626 -2.145 8.439
43 2HD PRO 5 2HD PRO 5 4.224 -3.791 7.860
44 H GLU 6 H GLU 6 5.219 -0.499 3.369
45 HA GLU 6 HA GLU 6 7.208 1.303 4.107
46 1HB GLU 6 1HB GLU 6 6.010 0.811 1.836
47 2HB GLU 6 2HB GLU 6 4.896 2.095 2.304
48 1HG GLU 6 1HG GLU 6 6.535 3.759 2.235
49 2HG GLU 6 2HG GLU 6 7.867 2.655 2.493
50 H ALA 7 H ALA 7 7.195 3.489 4.794
51 HA ALA 7 HA ALA 7 4.796 4.371 6.263
52 1HB ALA 7 1HB ALA 7 6.355 3.018 7.730
53 2HB ALA 7 2HB ALA 7 7.540 4.336 7.540
54 3HB ALA 7 3HB ALA 7 5.957 4.653 8.285
55 HA PRO 8 HA PRO 8 6.423 8.015 4.112
56 1HB PRO 8 1HB PRO 8 4.358 9.735 4.791
57 2HB PRO 8 2HB PRO 8 4.395 8.571 3.433
58 1HG PRO 8 1HG PRO 8 2.921 8.339 6.028
59 2HG PRO 8 2HG PRO 8 2.497 7.679 4.426
60 1HD PRO 8 1HD PRO 8 3.738 6.360 6.614
61 2HD PRO 8 2HD PRO 8 3.562 5.719 4.957
62 H GLY 9 H GLY 9 7.178 10.139 4.746
63 1HA GLY 9 1HA GLY 9 8.267 10.188 7.468
64 2HA GLY 9 2HA GLY 9 8.594 11.328 6.144
65 H GLU 10 H GLU 10 8.302 13.091 7.585
66 HA GLU 10 HA GLU 10 5.821 13.525 9.001
67 1HB GLU 10 1HB GLU 10 8.466 14.494 9.139
68 2HB GLU 10 2HB GLU 10 7.528 15.911 8.688
69 1HG GLU 10 1HG GLU 10 6.276 15.858 10.682
70 2HG GLU 10 2HG GLU 10 6.456 14.125 10.886
71 H ASP 11 H ASP 11 5.597 13.103 6.154
72 HA ASP 11 HA ASP 11 3.972 15.423 5.343
73 1HB ASP 11 1HB ASP 11 4.926 15.435 3.146
74 2HB ASP 11 2HB ASP 11 6.179 15.690 4.341
75 H ALA 12 H ALA 12 3.393 12.650 6.396
76 HA ALA 12 HA ALA 12 2.201 11.037 4.411
77 1HB ALA 12 1HB ALA 12 1.170 9.874 6.217
78 2HB ALA 12 2HB ALA 12 2.773 10.410 6.791
79 3HB ALA 12 3HB ALA 12 1.310 11.265 7.310
80 H SER 13 H SER 13 1.373 12.892 3.177
81 HA SER 13 HA SER 13 -0.955 14.326 3.856
82 1HB SER 13 1HB SER 13 -0.734 15.243 1.765
83 2HB SER 13 2HB SER 13 0.851 14.495 1.870
84 HG SER 13 HG SER 13 0.301 13.104 0.377
85 HA PRO 14 HA PRO 14 -4.329 11.545 3.088
86 1HB PRO 14 1HB PRO 14 -6.124 12.890 1.471
87 2HB PRO 14 2HB PRO 14 -5.881 13.212 3.213
88 1HG PRO 14 1HG PRO 14 -4.923 14.785 0.850
89 2HG PRO 14 2HG PRO 14 -5.357 15.359 2.490
90 1HD PRO 14 1HD PRO 14 -2.779 14.879 1.458
91 2HD PRO 14 2HD PRO 14 -3.167 15.145 3.182
92 H GLU 15 H GLU 15 -2.457 12.666 0.357
93 HA GLU 15 HA GLU 15 -3.598 10.763 -1.550
94 1HB GLU 15 1HB GLU 15 -2.393 12.974 -2.067
95 2HB GLU 15 2HB GLU 15 -0.889 12.141 -1.695
96 1HG GLU 15 1HG GLU 15 -2.529 10.522 -3.518
97 2HG GLU 15 2HG GLU 15 -2.433 12.169 -4.119
98 H GLU 16 H GLU 16 -1.017 10.797 0.903
99 HA GLU 16 HA GLU 16 0.316 8.466 -0.046
100 1HB GLU 16 1HB GLU 16 0.655 10.363 2.079
101 2HB GLU 16 2HB GLU 16 0.576 8.790 2.849
102 1HG GLU 16 1HG GLU 16 2.660 8.312 2.208
103 2HG GLU 16 2HG GLU 16 2.279 8.518 0.518
104 H LEU 17 H LEU 17 -2.507 8.841 1.986
105 HA LEU 17 HA LEU 17 -2.711 6.165 3.014
106 1HB LEU 17 1HB LEU 17 -4.522 8.464 2.419
107 2HB LEU 17 2HB LEU 17 -5.320 6.906 2.423
108 HG LEU 17 HG LEU 17 -3.467 7.601 4.729
109 1HD1 LEU 17 1HD1 LEU 17 -5.589 8.498 5.870
110 2HD1 LEU 17 2HD1 LEU 17 -4.763 9.551 4.706
111 3HD1 LEU 17 3HD1 LEU 17 -6.247 8.701 4.224
112 1HD2 LEU 17 1HD2 LEU 17 -5.900 5.811 4.317
113 2HD2 LEU 17 2HD2 LEU 17 -4.242 5.348 4.756
114 3HD2 LEU 17 3HD2 LEU 17 -5.258 6.201 5.924
115 H SER 18 H SER 18 -3.423 7.467 -0.209
116 HA SER 18 HA SER 18 -4.595 4.990 -1.247
117 1HB SER 18 1HB SER 18 -3.416 7.340 -2.796
118 2HB SER 18 2HB SER 18 -4.443 6.043 -3.425
119 HG SER 18 HG SER 18 -5.141 8.042 -1.548
120 H ARG 19 H ARG 19 -1.338 6.216 -0.780
121 HA ARG 19 HA ARG 19 -0.032 4.310 -2.565
122 1HB ARG 19 1HB ARG 19 1.833 5.464 -2.072
123 2HB ARG 19 2HB ARG 19 0.777 6.613 -1.309
124 1HG ARG 19 1HG ARG 19 2.241 6.369 0.396
125 2HG ARG 19 2HG ARG 19 1.221 5.057 0.877
126 1HD ARG 19 1HD ARG 19 2.988 3.736 0.862
127 2HD ARG 19 2HD ARG 19 2.972 3.809 -0.894
128 HE ARG 19 HE ARG 19 4.797 5.280 -0.838
129 1HH1 ARG 19 2HH2 ARG 19 3.565 5.025 2.425
130 2HH1 ARG 19 1HH2 ARG 19 4.857 5.995 3.099
131 1HH2 ARG 19 2HH1 ARG 19 6.539 6.209 0.096
132 2HH2 ARG 19 1HH1 ARG 19 6.501 6.728 1.756
133 H TYR 20 H TYR 20 -1.118 4.385 0.769
134 HA TYR 20 HA TYR 20 0.358 2.028 1.579
135 1HB TYR 20 1HB TYR 20 -0.260 3.927 3.092
136 2HB TYR 20 2HB TYR 20 -1.947 3.450 2.971
137 HD1 TYR 20 1HD TYR 20 1.426 1.942 3.769
138 HD2 TYR 20 2HD TYR 20 -2.798 2.052 4.676
139 HE1 TYR 20 1HE TYR 20 1.808 0.463 5.706
140 HE2 TYR 20 2HE TYR 20 -2.399 0.550 6.636
141 HH TYR 20 HH TYR 20 0.833 -0.279 7.692
142 H TYR 21 H TYR 21 -3.146 2.664 1.116
143 HA TYR 21 HA TYR 21 -4.149 0.041 1.487
144 1HB TYR 21 1HB TYR 21 -4.975 2.526 0.023
145 2HB TYR 21 2HB TYR 21 -5.731 1.041 -0.502
146 HD1 TYR 21 1HD TYR 21 -4.834 2.496 2.894
147 HD2 TYR 21 2HD TYR 21 -7.840 0.749 0.339
148 HE1 TYR 21 1HE TYR 21 -6.477 2.597 4.758
149 HE2 TYR 21 2HE TYR 21 -9.493 0.891 2.202
150 HH TYR 21 HH TYR 21 -8.610 1.567 5.453
151 H ALA 22 H ALA 22 -2.786 1.479 -1.502
152 HA ALA 22 HA ALA 22 -3.186 -0.850 -3.120
153 1HB ALA 22 1HB ALA 22 -0.949 1.121 -3.642
154 2HB ALA 22 2HB ALA 22 -2.096 0.361 -4.770
155 3HB ALA 22 3HB ALA 22 -2.630 1.684 -3.722
156 H SER 23 H SER 23 -0.356 0.327 -1.227
157 HA SER 23 HA SER 23 1.371 -1.847 -1.869
158 1HB SER 23 1HB SER 23 1.713 0.486 -0.468
159 2HB SER 23 2HB SER 23 1.668 -0.679 0.855
160 HG SER 23 HG SER 23 3.344 -0.644 -1.424
161 H LEU 24 H LEU 24 -1.016 -1.462 0.760
162 HA LEU 24 HA LEU 24 -0.485 -3.744 2.306
163 1HB LEU 24 1HB LEU 24 -2.951 -2.111 1.719
164 2HB LEU 24 2HB LEU 24 -3.147 -3.631 2.555
165 HG LEU 24 HG LEU 24 -1.436 -1.318 3.539
166 1HD1 LEU 24 1HD1 LEU 24 -3.859 -0.895 3.629
167 2HD1 LEU 24 2HD1 LEU 24 -4.120 -2.458 4.439
168 3HD1 LEU 24 3HD1 LEU 24 -3.223 -1.169 5.257
169 1HD2 LEU 24 1HD2 LEU 24 -1.761 -4.160 4.447
170 2HD2 LEU 24 2HD2 LEU 24 -0.367 -3.076 4.586
171 3HD2 LEU 24 3HD2 LEU 24 -1.728 -2.915 5.700
172 H ARG 25 H ARG 25 -2.731 -3.501 -0.491
173 HA ARG 25 HA ARG 25 -3.354 -6.287 -0.535
174 1HB ARG 25 1HB ARG 25 -4.533 -4.384 -1.756
175 2HB ARG 25 2HB ARG 25 -3.257 -4.483 -2.983
176 1HG ARG 25 1HG ARG 25 -3.876 -6.705 -3.607
177 2HG ARG 25 2HG ARG 25 -4.806 -6.959 -2.120
178 1HD ARG 25 1HD ARG 25 -6.488 -5.357 -2.791
179 2HD ARG 25 2HD ARG 25 -5.587 -4.931 -4.244
180 HE ARG 25 HE ARG 25 -7.227 -7.299 -3.772
181 1HH1 ARG 25 2HH2 ARG 25 -4.816 -5.957 -5.860
182 2HH1 ARG 25 1HH2 ARG 25 -5.180 -7.011 -7.208
183 1HH2 ARG 25 2HH1 ARG 25 -7.651 -8.713 -5.482
184 2HH2 ARG 25 1HH1 ARG 25 -6.857 -8.485 -6.998
185 H HIS 26 H HIS 26 -0.709 -4.495 -2.089
186 HA HIS 26 HA HIS 26 0.399 -6.805 -3.398
187 1HB HIS 26 1HB HIS 26 0.850 -4.128 -3.577
188 2HB HIS 26 2HB HIS 26 2.241 -4.595 -2.615
189 HD1 HIS 26 1HD HIS 26 4.226 -4.796 -4.343
190 HE1 HIS 26 1HE HIS 26 2.251 -6.846 -7.505
191 H TYR 27 H TYR 27 0.819 -5.430 -0.183
192 HA TYR 27 HA TYR 27 2.890 -7.071 0.816
193 1HB TYR 27 1HB TYR 27 1.218 -4.964 1.763
194 2HB TYR 27 2HB TYR 27 1.011 -6.271 2.885
195 HD1 TYR 27 1HD TYR 27 3.330 -3.826 1.448
196 HD2 TYR 27 2HD TYR 27 2.933 -7.145 4.152
197 HE1 TYR 27 1HE TYR 27 5.635 -3.402 2.300
198 HE2 TYR 27 2HE TYR 27 5.244 -6.716 5.017
199 HH TYR 27 HH TYR 27 7.168 -4.000 4.308
200 H LEU 28 H LEU 28 -0.629 -7.500 0.820
201 HA LEU 28 HA LEU 28 -0.838 -9.886 2.342
202 1HB LEU 28 1HB LEU 28 -2.858 -8.846 1.878
203 2HB LEU 28 2HB LEU 28 -2.443 -8.512 0.215
204 HG LEU 28 HG LEU 28 -2.727 -10.982 -0.295
205 1HD1 LEU 28 1HD1 LEU 28 -4.570 -11.516 1.886
206 2HD1 LEU 28 2HD1 LEU 28 -3.216 -12.475 1.269
207 3HD1 LEU 28 3HD1 LEU 28 -2.933 -11.258 2.515
208 1HD2 LEU 28 1HD2 LEU 28 -5.088 -9.321 0.623
209 2HD2 LEU 28 2HD2 LEU 28 -4.348 -9.389 -0.996
210 3HD2 LEU 28 3HD2 LEU 28 -5.194 -10.809 -0.360
211 H ASN 29 H ASN 29 -0.258 -9.513 -1.185
212 HA ASN 29 HA ASN 29 0.195 -12.382 -1.504
213 1HB ASN 29 1HB ASN 29 0.630 -10.088 -3.436
214 2HB ASN 29 2HB ASN 29 0.768 -11.808 -3.826
215 1HD2 ASN 29 1HD2 ASN 29 -0.903 -10.575 -5.437
216 2HD2 ASN 29 2HD2 ASN 29 -2.572 -10.907 -4.909
217 H LEU 30 H LEU 30 2.114 -10.138 -0.059
218 HA LEU 30 HA LEU 30 4.692 -11.221 -1.077
219 1HB LEU 30 1HB LEU 30 3.785 -8.633 -0.300
220 2HB LEU 30 2HB LEU 30 4.850 -9.124 0.971
221 HG LEU 30 HG LEU 30 6.191 -9.750 -1.510
222 1HD1 LEU 30 1HD1 LEU 30 4.744 -8.311 -2.755
223 2HD1 LEU 30 2HD1 LEU 30 4.830 -7.033 -1.531
224 3HD1 LEU 30 3HD1 LEU 30 6.259 -7.429 -2.506
225 1HD2 LEU 30 1HD2 LEU 30 7.670 -7.805 -0.724
226 2HD2 LEU 30 2HD2 LEU 30 6.565 -7.664 0.662
227 3HD2 LEU 30 3HD2 LEU 30 7.458 -9.185 0.377
228 H VAL 31 H VAL 31 3.087 -10.469 2.051
229 HA VAL 31 HA VAL 31 4.828 -12.109 3.652
230 HB VAL 31 HB VAL 31 2.039 -11.006 4.136
231 1HG1 VAL 31 1HG1 VAL 31 3.824 -12.623 5.997
232 2HG1 VAL 31 2HG1 VAL 31 2.631 -11.458 6.613
233 3HG1 VAL 31 3HG1 VAL 31 2.093 -12.834 5.647
234 1HG2 VAL 31 1HG2 VAL 31 3.924 -9.370 3.944
235 2HG2 VAL 31 2HG2 VAL 31 3.222 -9.408 5.565
236 3HG2 VAL 31 3HG2 VAL 31 4.773 -10.218 5.247
237 H THR 32 H THR 32 2.108 -12.961 1.623
238 HA THR 32 HA THR 32 1.765 -15.633 2.699
239 HB THR 32 HB THR 32 0.136 -14.179 1.335
240 HG1 THR 32 1HG THR 32 -0.981 -15.875 1.250
241 1HG2 THR 32 1HG2 THR 32 -0.032 -14.554 -1.014
242 2HG2 THR 32 2HG2 THR 32 1.641 -14.023 -0.717
243 3HG2 THR 32 3HG2 THR 32 1.290 -15.731 -1.010
244 H ARG 33 H ARG 33 4.452 -14.416 1.232
245 HA ARG 33 HA ARG 33 5.393 -17.114 0.528
246 1HB ARG 33 1HB ARG 33 4.368 -15.982 -1.518
247 2HB ARG 33 2HB ARG 33 5.680 -14.826 -1.465
248 1HG ARG 33 1HG ARG 33 6.435 -17.750 -1.410
249 2HG ARG 33 2HG ARG 33 5.643 -17.193 -2.867
250 1HD ARG 33 1HD ARG 33 7.568 -16.431 -3.664
251 2HD ARG 33 2HD ARG 33 7.620 -15.242 -2.362
252 HE ARG 33 HE ARG 33 8.597 -17.903 -1.612
253 1HH1 ARG 33 2HH2 ARG 33 9.527 -14.733 -2.717
254 2HH1 ARG 33 1HH2 ARG 33 11.206 -14.924 -2.295
255 1HH2 ARG 33 2HH1 ARG 33 10.758 -18.133 -1.047
256 2HH2 ARG 33 1HH1 ARG 33 11.854 -16.807 -1.208
257 H GLN 34 H GLN 34 6.016 -15.453 2.802
258 HA GLN 34 HA GLN 34 8.925 -15.138 2.277
259 1HB GLN 34 1HB GLN 34 7.327 -12.912 2.448
260 2HB GLN 34 2HB GLN 34 7.730 -13.146 4.144
261 1HG GLN 34 1HG GLN 34 9.340 -11.644 3.125
262 2HG GLN 34 2HG GLN 34 10.167 -13.150 3.516
263 1HE2 GLN 34 1HE2 GLN 34 11.763 -13.417 1.869
264 2HE2 GLN 34 2HE2 GLN 34 11.293 -13.240 0.166
265 H ARG 35 H ARG 35 10.232 -15.048 4.263
266 HA ARG 35 HA ARG 35 9.577 -17.302 5.915
267 1HB ARG 35 1HB ARG 35 11.917 -16.063 5.164
268 2HB ARG 35 2HB ARG 35 11.770 -15.440 6.800
269 1HG ARG 35 1HG ARG 35 11.458 -18.414 6.225
270 2HG ARG 35 2HG ARG 35 13.058 -17.678 6.303
271 1HD ARG 35 1HD ARG 35 12.724 -16.957 8.589
272 2HD ARG 35 2HD ARG 35 11.039 -17.503 8.569
273 HE ARG 35 HE ARG 35 12.696 -19.710 7.900
274 1HH1 ARG 35 2HH2 ARG 35 11.540 -17.937 10.699
275 2HH1 ARG 35 1HH2 ARG 35 11.847 -19.262 11.763
276 1HH2 ARG 35 2HH1 ARG 35 13.092 -21.368 9.356
277 2HH2 ARG 35 1HH1 ARG 35 12.751 -21.116 11.038
278 H TYR 36 H TYR 36 8.912 -17.433 7.972
279 HA TYR 36 HA TYR 36 7.778 -14.996 9.221
280 1HB TYR 36 1HB TYR 36 6.638 -17.450 8.532
281 2HB TYR 36 2HB TYR 36 6.883 -17.592 10.258
282 HD1 TYR 36 1HD TYR 36 5.793 -15.919 11.804
283 HD2 TYR 36 2HD TYR 36 5.018 -15.959 7.556
284 HE1 TYR 36 1HE TYR 36 3.711 -14.558 12.152
285 HE2 TYR 36 2HE TYR 36 2.958 -14.628 7.908
286 HH TYR 36 HH TYR 36 1.369 -14.056 9.657
287 1HN NH2 37 NH1 NHE 37 9.326 -14.117 10.639
288 2HN NH2 37 NH2 NHE 37 10.128 -15.137 11.826
Start of MODEL 6
1 1H TYR 1 1H TYR 1 11.648 -8.826 11.640
2 2H TYR 1 2H TYR 1 11.624 -7.426 12.515
3 3H TYR 1 3H TYR 1 10.208 -8.155 12.086
4 HA TYR 1 HA TYR 1 12.156 -6.894 10.280
5 1HB TYR 1 1HB TYR 1 9.545 -8.267 9.572
6 2HB TYR 1 2HB TYR 1 10.698 -7.569 8.459
7 HD1 TYR 1 1HD TYR 1 9.509 -10.571 9.613
8 HD2 TYR 1 2HD TYR 1 13.284 -8.589 8.874
9 HE1 TYR 1 1HE TYR 1 10.663 -12.774 9.414
10 HE2 TYR 1 2HE TYR 1 14.402 -10.793 8.711
11 HH TYR 1 HH TYR 1 14.146 -13.093 8.870
12 HA PRO 2 HA PRO 2 9.040 -3.788 11.798
13 1HB PRO 2 1HB PRO 2 10.754 -1.928 12.869
14 2HB PRO 2 2HB PRO 2 10.108 -3.315 13.783
15 1HG PRO 2 1HG PRO 2 12.852 -2.929 12.642
16 2HG PRO 2 2HG PRO 2 12.332 -3.866 14.078
17 1HD PRO 2 1HD PRO 2 12.887 -4.854 11.451
18 2HD PRO 2 2HD PRO 2 12.193 -5.758 12.830
19 H ALA 3 H ALA 3 8.732 -1.607 10.966
20 HA ALA 3 HA ALA 3 8.447 -0.333 9.098
21 1HB ALA 3 1HB ALA 3 10.281 1.201 8.765
22 2HB ALA 3 2HB ALA 3 10.168 0.794 10.493
23 3HB ALA 3 3HB ALA 3 11.434 0.056 9.483
24 H LYS 4 H LYS 4 8.556 -2.952 8.320
25 HA LYS 4 HA LYS 4 10.205 -3.200 5.903
26 1HB LYS 4 1HB LYS 4 8.775 -5.038 7.670
27 2HB LYS 4 2HB LYS 4 8.268 -5.306 6.020
28 1HG LYS 4 1HG LYS 4 10.127 -6.720 6.491
29 2HG LYS 4 2HG LYS 4 10.606 -5.542 5.276
30 1HD LYS 4 1HD LYS 4 11.858 -4.224 6.948
31 2HD LYS 4 2HD LYS 4 11.173 -5.188 8.241
32 1HE LYS 4 1HE LYS 4 13.117 -6.331 8.118
33 2HE LYS 4 2HE LYS 4 12.271 -7.206 6.836
34 1HZ LYS 4 1HZ LYS 4 14.385 -6.569 5.994
35 2HZ LYS 4 2HZ LYS 4 13.351 -5.533 5.254
36 3HZ LYS 4 3HZ LYS 4 14.256 -5.033 6.545
37 HA PRO 5 HA PRO 5 6.158 -2.732 3.593
38 1HB PRO 5 1HB PRO 5 3.864 -1.903 4.959
39 2HB PRO 5 2HB PRO 5 4.228 -3.564 4.459
40 1HG PRO 5 1HG PRO 5 4.305 -2.402 7.173
41 2HG PRO 5 2HG PRO 5 4.234 -4.114 6.671
42 1HD PRO 5 1HD PRO 5 6.508 -2.617 7.576
43 2HD PRO 5 2HD PRO 5 6.466 -4.313 7.025
44 H GLU 6 H GLU 6 5.268 -0.855 2.655
45 HA GLU 6 HA GLU 6 6.744 1.499 3.205
46 1HB GLU 6 1HB GLU 6 5.345 0.611 1.081
47 2HB GLU 6 2HB GLU 6 4.087 1.610 1.797
48 1HG GLU 6 1HG GLU 6 4.983 3.341 0.787
49 2HG GLU 6 2HG GLU 6 6.379 3.270 1.842
50 H ALA 7 H ALA 7 5.928 3.592 3.931
51 HA ALA 7 HA ALA 7 3.597 3.478 5.733
52 1HB ALA 7 1HB ALA 7 5.861 2.807 6.892
53 2HB ALA 7 2HB ALA 7 6.231 4.545 6.783
54 3HB ALA 7 3HB ALA 7 4.807 3.984 7.681
55 HA PRO 8 HA PRO 8 3.238 7.585 4.317
56 1HB PRO 8 1HB PRO 8 1.971 8.827 6.466
57 2HB PRO 8 2HB PRO 8 1.147 7.829 5.230
58 1HG PRO 8 1HG PRO 8 1.785 7.175 8.047
59 2HG PRO 8 2HG PRO 8 0.549 6.476 6.955
60 1HD PRO 8 1HD PRO 8 3.071 5.362 7.647
61 2HD PRO 8 2HD PRO 8 1.955 4.783 6.373
62 H GLY 9 H GLY 9 3.739 9.885 4.734
63 1HA GLY 9 1HA GLY 9 6.386 10.254 5.881
64 2HA GLY 9 2HA GLY 9 5.336 11.504 5.206
65 H GLU 10 H GLU 10 6.647 12.349 7.324
66 HA GLU 10 HA GLU 10 5.671 11.726 9.876
67 1HB GLU 10 1HB GLU 10 7.577 13.516 8.810
68 2HB GLU 10 2HB GLU 10 6.409 14.553 9.624
69 1HG GLU 10 1HG GLU 10 6.619 12.904 11.630
70 2HG GLU 10 2HG GLU 10 7.998 12.227 10.764
71 H ASP 11 H ASP 11 4.071 13.558 7.480
72 HA ASP 11 HA ASP 11 1.979 14.486 9.408
73 1HB ASP 11 1HB ASP 11 3.355 16.113 7.859
74 2HB ASP 11 2HB ASP 11 2.284 15.527 6.590
75 H ALA 12 H ALA 12 2.544 11.944 7.382
76 HA ALA 12 HA ALA 12 1.436 10.752 5.767
77 1HB ALA 12 1HB ALA 12 0.768 9.954 8.051
78 2HB ALA 12 2HB ALA 12 -0.723 10.889 7.899
79 3HB ALA 12 3HB ALA 12 -0.401 9.559 6.767
80 H SER 13 H SER 13 1.276 12.194 4.053
81 HA SER 13 HA SER 13 -0.625 14.180 3.672
82 1HB SER 13 1HB SER 13 0.272 14.389 1.555
83 2HB SER 13 2HB SER 13 1.554 13.486 2.349
84 HG SER 13 HG SER 13 1.171 11.738 1.185
85 HA PRO 14 HA PRO 14 -4.428 12.254 2.633
86 1HB PRO 14 1HB PRO 14 -5.414 13.594 0.410
87 2HB PRO 14 2HB PRO 14 -5.434 14.212 2.088
88 1HG PRO 14 1HG PRO 14 -3.621 14.966 -0.171
89 2HG PRO 14 2HG PRO 14 -4.176 15.954 1.213
90 1HD PRO 14 1HD PRO 14 -1.689 14.675 0.925
91 2HD PRO 14 2HD PRO 14 -2.335 15.338 2.457
92 H GLU 15 H GLU 15 -2.095 12.469 -0.006
93 HA GLU 15 HA GLU 15 -3.260 10.289 -1.568
94 1HB GLU 15 1HB GLU 15 -1.401 12.419 -1.967
95 2HB GLU 15 2HB GLU 15 -0.459 10.948 -2.165
96 1HG GLU 15 1HG GLU 15 -1.769 10.168 -3.954
97 2HG GLU 15 2HG GLU 15 -3.158 11.167 -3.531
98 H GLU 16 H GLU 16 -1.219 10.549 1.190
99 HA GLU 16 HA GLU 16 0.252 8.108 0.896
100 1HB GLU 16 1HB GLU 16 0.046 10.252 2.778
101 2HB GLU 16 2HB GLU 16 -0.268 8.783 3.686
102 1HG GLU 16 1HG GLU 16 2.093 9.429 3.674
103 2HG GLU 16 2HG GLU 16 1.864 7.893 2.824
104 H LEU 17 H LEU 17 -3.018 8.777 2.112
105 HA LEU 17 HA LEU 17 -3.455 6.184 3.261
106 1HB LEU 17 1HB LEU 17 -5.040 8.523 2.662
107 2HB LEU 17 2HB LEU 17 -5.831 7.156 1.897
108 HG LEU 17 HG LEU 17 -5.594 5.918 4.151
109 1HD1 LEU 17 1HD1 LEU 17 -4.621 8.675 4.927
110 2HD1 LEU 17 2HD1 LEU 17 -5.629 7.778 6.076
111 3HD1 LEU 17 3HD1 LEU 17 -4.107 7.084 5.509
112 1HD2 LEU 17 1HD2 LEU 17 -7.616 6.902 5.012
113 2HD2 LEU 17 2HD2 LEU 17 -7.340 8.407 4.084
114 3HD2 LEU 17 3HD2 LEU 17 -7.695 6.875 3.244
115 H SER 18 H SER 18 -3.741 7.313 -0.091
116 HA SER 18 HA SER 18 -4.624 4.804 -1.244
117 1HB SER 18 1HB SER 18 -5.090 6.527 -2.655
118 2HB SER 18 2HB SER 18 -3.665 7.464 -2.206
119 HG SER 18 HG SER 18 -3.535 6.686 -4.306
120 H ARG 19 H ARG 19 -1.422 6.192 -0.571
121 HA ARG 19 HA ARG 19 0.127 4.124 -1.830
122 1HB ARG 19 1HB ARG 19 1.888 5.315 -1.131
123 2HB ARG 19 2HB ARG 19 0.716 6.508 -0.676
124 1HG ARG 19 1HG ARG 19 1.799 6.487 1.264
125 2HG ARG 19 2HG ARG 19 0.821 5.135 1.701
126 1HD ARG 19 1HD ARG 19 2.559 3.867 2.017
127 2HD ARG 19 2HD ARG 19 3.016 4.026 0.323
128 HE ARG 19 HE ARG 19 4.097 5.514 2.643
129 1HH1 ARG 19 2HH2 ARG 19 4.029 5.438 -0.836
130 2HH1 ARG 19 1HH2 ARG 19 5.370 6.532 -0.986
131 1HH2 ARG 19 2HH1 ARG 19 5.700 6.807 2.491
132 2HH2 ARG 19 1HH1 ARG 19 6.190 7.508 0.938
133 H TYR 20 H TYR 20 -1.332 4.361 1.374
134 HA TYR 20 HA TYR 20 -0.045 2.045 2.444
135 1HB TYR 20 1HB TYR 20 -1.148 3.923 3.742
136 2HB TYR 20 2HB TYR 20 -2.708 3.261 3.277
137 HD1 TYR 20 1HD TYR 20 0.422 1.450 4.465
138 HD2 TYR 20 2HD TYR 20 -3.666 2.578 5.318
139 HE1 TYR 20 1HE TYR 20 0.447 0.012 6.455
140 HE2 TYR 20 2HE TYR 20 -3.616 1.141 7.357
141 HH TYR 20 HH TYR 20 -0.888 -0.983 8.069
142 H TYR 21 H TYR 21 -3.164 2.520 0.794
143 HA TYR 21 HA TYR 21 -4.099 -0.198 0.967
144 1HB TYR 21 1HB TYR 21 -4.731 2.226 -0.719
145 2HB TYR 21 2HB TYR 21 -5.352 0.665 -1.211
146 HD1 TYR 21 1HD TYR 21 -7.484 0.122 -0.524
147 HD2 TYR 21 2HD TYR 21 -5.076 2.627 2.028
148 HE1 TYR 21 1HE TYR 21 -9.375 0.321 1.092
149 HE2 TYR 21 2HE TYR 21 -6.951 2.856 3.606
150 HH TYR 21 HH TYR 21 -9.016 1.869 4.204
151 H ALA 22 H ALA 22 -2.413 1.521 -1.730
152 HA ALA 22 HA ALA 22 -2.184 -0.747 -3.430
153 1HB ALA 22 1HB ALA 22 -1.813 1.457 -4.309
154 2HB ALA 22 2HB ALA 22 -0.500 1.773 -3.149
155 3HB ALA 22 3HB ALA 22 -0.275 0.571 -4.439
156 H SER 23 H SER 23 0.197 0.544 -0.996
157 HA SER 23 HA SER 23 2.024 -1.589 -1.403
158 1HB SER 23 1HB SER 23 2.450 0.645 -0.174
159 2HB SER 23 2HB SER 23 1.771 -0.175 1.257
160 HG SER 23 HG SER 23 3.321 -1.949 0.527
161 H LEU 24 H LEU 24 -0.682 -1.291 0.997
162 HA LEU 24 HA LEU 24 -0.228 -3.661 2.442
163 1HB LEU 24 1HB LEU 24 -2.692 -2.068 1.734
164 2HB LEU 24 2HB LEU 24 -2.891 -3.606 2.529
165 HG LEU 24 HG LEU 24 -1.080 -1.484 3.727
166 1HD1 LEU 24 1HD1 LEU 24 -3.547 -0.747 3.322
167 2HD1 LEU 24 2HD1 LEU 24 -3.961 -1.945 4.571
168 3HD1 LEU 24 3HD1 LEU 24 -2.863 -0.609 4.928
169 1HD2 LEU 24 1HD2 LEU 24 -1.869 -2.774 5.835
170 2HD2 LEU 24 2HD2 LEU 24 -2.370 -4.041 4.708
171 3HD2 LEU 24 3HD2 LEU 24 -0.667 -3.542 4.789
172 H ARG 25 H ARG 25 -2.242 -3.220 -0.531
173 HA ARG 25 HA ARG 25 -2.857 -6.011 -0.723
174 1HB ARG 25 1HB ARG 25 -3.635 -3.722 -2.057
175 2HB ARG 25 2HB ARG 25 -2.663 -4.501 -3.286
176 1HG ARG 25 1HG ARG 25 -4.543 -6.384 -1.946
177 2HG ARG 25 2HG ARG 25 -5.347 -4.968 -2.572
178 1HD ARG 25 1HD ARG 25 -3.900 -5.547 -4.774
179 2HD ARG 25 2HD ARG 25 -3.885 -7.155 -4.044
180 HE ARG 25 HE ARG 25 -6.153 -7.374 -4.554
181 1HH1 ARG 25 2HH2 ARG 25 -5.368 -3.976 -4.782
182 2HH1 ARG 25 1HH2 ARG 25 -6.891 -3.541 -5.509
183 1HH2 ARG 25 2HH1 ARG 25 -8.193 -6.752 -5.305
184 2HH2 ARG 25 1HH1 ARG 25 -8.459 -5.099 -5.772
185 H HIS 26 H HIS 26 -0.140 -4.119 -1.974
186 HA HIS 26 HA HIS 26 1.081 -6.293 -3.382
187 1HB HIS 26 1HB HIS 26 1.556 -3.593 -3.230
188 2HB HIS 26 2HB HIS 26 2.914 -4.241 -2.312
189 HD1 HIS 26 1HD HIS 26 4.943 -4.597 -3.939
190 HE1 HIS 26 1HE HIS 26 2.870 -5.716 -7.487
191 H TYR 27 H TYR 27 1.281 -5.202 -0.027
192 HA TYR 27 HA TYR 27 3.197 -7.212 0.789
193 1HB TYR 27 1HB TYR 27 1.771 -4.954 2.020
194 2HB TYR 27 2HB TYR 27 1.782 -6.353 3.058
195 HD1 TYR 27 1HD TYR 27 3.631 -6.732 4.432
196 HD2 TYR 27 2HD TYR 27 4.125 -4.400 0.837
197 HE1 TYR 27 1HE TYR 27 6.058 -6.485 4.928
198 HE2 TYR 27 2HE TYR 27 6.555 -4.148 1.338
199 HH TYR 27 HH TYR 27 8.282 -4.880 2.670
200 H LEU 28 H LEU 28 -0.350 -7.137 0.659
201 HA LEU 28 HA LEU 28 -0.929 -9.400 2.207
202 1HB LEU 28 1HB LEU 28 -2.727 -8.079 1.611
203 2HB LEU 28 2HB LEU 28 -2.214 -7.934 -0.055
204 HG LEU 28 HG LEU 28 -2.946 -10.299 -0.482
205 1HD1 LEU 28 1HD1 LEU 28 -4.804 -10.974 1.309
206 2HD1 LEU 28 2HD1 LEU 28 -3.127 -11.465 1.482
207 3HD1 LEU 28 3HD1 LEU 28 -3.733 -10.088 2.415
208 1HD2 LEU 28 1HD2 LEU 28 -4.753 -8.002 0.206
209 2HD2 LEU 28 2HD2 LEU 28 -4.333 -8.730 -1.358
210 3HD2 LEU 28 3HD2 LEU 28 -5.457 -9.561 -0.282
211 H ASN 29 H ASN 29 -0.149 -9.281 -1.281
212 HA ASN 29 HA ASN 29 -0.241 -12.179 -1.537
213 1HB ASN 29 1HB ASN 29 0.422 -11.896 -3.792
214 2HB ASN 29 2HB ASN 29 -0.729 -10.605 -3.426
215 1HD2 ASN 29 1HD2 ASN 29 0.087 -8.357 -3.275
216 2HD2 ASN 29 2HD2 ASN 29 1.808 -8.140 -3.652
217 H LEU 30 H LEU 30 2.059 -10.196 -0.100
218 HA LEU 30 HA LEU 30 4.346 -12.041 -0.601
219 1HB LEU 30 1HB LEU 30 4.949 -9.891 -1.147
220 2HB LEU 30 2HB LEU 30 3.998 -9.141 0.084
221 HG LEU 30 HG LEU 30 6.070 -10.698 1.412
222 1HD1 LEU 30 1HD1 LEU 30 7.969 -9.129 0.563
223 2HD1 LEU 30 2HD1 LEU 30 7.575 -10.589 -0.359
224 3HD1 LEU 30 3HD1 LEU 30 7.007 -8.997 -0.912
225 1HD2 LEU 30 1HD2 LEU 30 6.442 -8.723 2.578
226 2HD2 LEU 30 2HD2 LEU 30 5.990 -7.683 1.207
227 3HD2 LEU 30 3HD2 LEU 30 4.748 -8.560 2.108
228 H VAL 31 H VAL 31 2.489 -10.550 2.062
229 HA VAL 31 HA VAL 31 3.727 -12.062 4.191
230 HB VAL 31 HB VAL 31 1.166 -10.413 4.047
231 1HG1 VAL 31 1HG1 VAL 31 1.540 -10.234 6.601
232 2HG1 VAL 31 2HG1 VAL 31 0.848 -11.740 5.995
233 3HG1 VAL 31 3HG1 VAL 31 2.569 -11.670 6.435
234 1HG2 VAL 31 1HG2 VAL 31 3.664 -9.536 5.512
235 2HG2 VAL 31 2HG2 VAL 31 3.579 -9.322 3.766
236 3HG2 VAL 31 3HG2 VAL 31 2.348 -8.580 4.784
237 H THR 32 H THR 32 1.267 -12.823 1.876
238 HA THR 32 HA THR 32 0.089 -15.020 3.420
239 HB THR 32 HB THR 32 -1.119 -13.593 1.754
240 HG1 THR 32 1HG THR 32 -2.195 -15.521 0.886
241 1HG2 THR 32 1HG2 THR 32 -1.062 -14.113 -0.582
242 2HG2 THR 32 2HG2 THR 32 0.600 -13.760 -0.082
243 3HG2 THR 32 3HG2 THR 32 0.097 -15.430 -0.353
244 H ARG 33 H ARG 33 3.076 -14.927 2.651
245 HA ARG 33 HA ARG 33 3.339 -17.797 2.301
246 1HB ARG 33 1HB ARG 33 3.091 -16.398 -0.082
247 2HB ARG 33 2HB ARG 33 4.828 -16.415 0.086
248 1HG ARG 33 1HG ARG 33 3.018 -18.888 0.270
249 2HG ARG 33 2HG ARG 33 3.811 -18.323 -1.201
250 1HD ARG 33 1HD ARG 33 5.976 -18.457 0.419
251 2HD ARG 33 2HD ARG 33 4.982 -19.712 1.187
252 HE ARG 33 HE ARG 33 4.959 -20.174 -1.594
253 1HH1 ARG 33 2HH2 ARG 33 7.396 -20.058 0.884
254 2HH1 ARG 33 1HH2 ARG 33 8.527 -21.078 0.017
255 1HH2 ARG 33 2HH1 ARG 33 6.448 -21.373 -2.762
256 2HH2 ARG 33 1HH1 ARG 33 8.000 -21.731 -2.064
257 H GLN 34 H GLN 34 4.123 -16.020 4.371
258 HA GLN 34 HA GLN 34 7.052 -16.429 4.262
259 1HB GLN 34 1HB GLN 34 5.990 -13.908 3.919
260 2HB GLN 34 2HB GLN 34 6.160 -13.960 5.671
261 1HG GLN 34 1HG GLN 34 8.145 -12.996 4.616
262 2HG GLN 34 2HG GLN 34 8.577 -14.509 5.410
263 1HE2 GLN 34 1HE2 GLN 34 9.596 -16.170 4.076
264 2HE2 GLN 34 2HE2 GLN 34 9.646 -15.926 2.329
265 H ARG 35 H ARG 35 8.119 -16.467 6.300
266 HA ARG 35 HA ARG 35 6.817 -18.168 8.170
267 1HB ARG 35 1HB ARG 35 8.865 -18.133 9.389
268 2HB ARG 35 2HB ARG 35 9.263 -18.093 7.689
269 1HG ARG 35 1HG ARG 35 10.719 -16.500 8.368
270 2HG ARG 35 2HG ARG 35 9.364 -15.426 8.098
271 1HD ARG 35 1HD ARG 35 9.467 -16.626 10.843
272 2HD ARG 35 2HD ARG 35 10.887 -15.667 10.409
273 HE ARG 35 HE ARG 35 8.301 -14.396 9.870
274 1HH1 ARG 35 2HH2 ARG 35 10.660 -14.898 12.404
275 2HH1 ARG 35 1HH2 ARG 35 10.274 -13.415 13.259
276 1HH2 ARG 35 2HH1 ARG 35 7.903 -12.433 10.927
277 2HH2 ARG 35 1HH1 ARG 35 8.775 -12.068 12.413
278 H TYR 36 H TYR 36 5.964 -17.833 10.145
279 HA TYR 36 HA TYR 36 5.793 -15.169 11.350
280 1HB TYR 36 1HB TYR 36 3.910 -15.757 9.409
281 2HB TYR 36 2HB TYR 36 3.093 -16.343 10.838
282 HD1 TYR 36 1HD TYR 36 4.691 -13.411 9.217
283 HD2 TYR 36 2HD TYR 36 2.204 -14.767 12.466
284 HE1 TYR 36 1HE TYR 36 4.021 -11.048 9.697
285 HE2 TYR 36 2HE TYR 36 1.509 -12.413 12.921
286 HH TYR 36 HH TYR 36 1.523 -10.234 12.022
287 1HN NH2 37 NH1 NHE 37 4.233 -18.490 11.440
288 2HN NH2 37 NH2 NHE 37 4.574 -18.620 13.176
Start of MODEL 7
1 1H TYR 1 1H TYR 1 12.384 -11.318 4.360
2 2H TYR 1 2H TYR 1 13.043 -12.647 5.041
3 3H TYR 1 3H TYR 1 11.764 -12.803 4.018
4 HA TYR 1 HA TYR 1 10.250 -12.344 5.544
5 1HB TYR 1 1HB TYR 1 10.835 -13.176 7.704
6 2HB TYR 1 2HB TYR 1 11.648 -14.128 6.480
7 HD1 TYR 1 1HD TYR 1 14.246 -13.455 5.966
8 HD2 TYR 1 2HD TYR 1 12.053 -12.415 9.558
9 HE1 TYR 1 1HE TYR 1 16.342 -12.848 7.087
10 HE2 TYR 1 2HE TYR 1 14.204 -11.901 10.689
11 HH TYR 1 HH TYR 1 16.629 -11.086 9.783
12 HA PRO 2 HA PRO 2 11.608 -8.003 6.475
13 1HB PRO 2 1HB PRO 2 9.826 -6.637 4.867
14 2HB PRO 2 2HB PRO 2 11.452 -7.174 4.353
15 1HG PRO 2 1HG PRO 2 8.790 -8.333 3.645
16 2HG PRO 2 2HG PRO 2 10.319 -8.343 2.723
17 1HD PRO 2 1HD PRO 2 9.254 -10.447 4.320
18 2HD PRO 2 2HD PRO 2 10.874 -10.366 3.564
19 H ALA 3 H ALA 3 10.400 -6.408 7.692
20 HA ALA 3 HA ALA 3 7.617 -7.031 8.457
21 1HB ALA 3 1HB ALA 3 9.227 -8.437 9.868
22 2HB ALA 3 2HB ALA 3 9.798 -6.911 10.577
23 3HB ALA 3 3HB ALA 3 8.098 -7.399 10.754
24 H LYS 4 H LYS 4 8.129 -4.905 7.008
25 HA LYS 4 HA LYS 4 7.685 -2.585 8.698
26 1HB LYS 4 1HB LYS 4 9.688 -1.321 7.694
27 2HB LYS 4 2HB LYS 4 9.868 -2.317 9.108
28 1HG LYS 4 1HG LYS 4 11.786 -2.620 7.762
29 2HG LYS 4 2HG LYS 4 10.907 -4.130 7.783
30 1HD LYS 4 1HD LYS 4 10.063 -3.796 5.569
31 2HD LYS 4 2HD LYS 4 10.677 -2.120 5.515
32 1HE LYS 4 1HE LYS 4 12.888 -2.764 5.266
33 2HE LYS 4 2HE LYS 4 12.630 -4.353 5.997
34 1HZ LYS 4 1HZ LYS 4 11.319 -4.946 4.020
35 2HZ LYS 4 2HZ LYS 4 11.682 -3.507 3.327
36 3HZ LYS 4 3HZ LYS 4 12.880 -4.595 3.645
37 HA PRO 5 HA PRO 5 5.744 -2.394 4.561
38 1HB PRO 5 1HB PRO 5 3.315 -1.322 5.431
39 2HB PRO 5 2HB PRO 5 3.673 -3.047 5.179
40 1HG PRO 5 1HG PRO 5 3.415 -1.571 7.735
41 2HG PRO 5 2HG PRO 5 3.272 -3.323 7.416
42 1HD PRO 5 1HD PRO 5 5.495 -1.935 8.550
43 2HD PRO 5 2HD PRO 5 5.447 -3.650 8.054
44 H GLU 6 H GLU 6 5.143 -0.603 3.243
45 HA GLU 6 HA GLU 6 6.700 1.726 3.779
46 1HB GLU 6 1HB GLU 6 5.622 0.613 1.525
47 2HB GLU 6 2HB GLU 6 4.406 1.832 1.850
48 1HG GLU 6 1HG GLU 6 5.797 3.118 0.575
49 2HG GLU 6 2HG GLU 6 6.608 3.401 2.115
50 H ALA 7 H ALA 7 5.999 3.876 4.291
51 HA ALA 7 HA ALA 7 3.253 4.221 5.305
52 1HB ALA 7 1HB ALA 7 5.489 4.961 7.182
53 2HB ALA 7 2HB ALA 7 3.838 4.421 7.530
54 3HB ALA 7 3HB ALA 7 5.057 3.244 7.063
55 HA PRO 8 HA PRO 8 4.032 8.353 3.979
56 1HB PRO 8 1HB PRO 8 2.897 9.930 5.974
57 2HB PRO 8 2HB PRO 8 1.990 9.147 4.650
58 1HG PRO 8 1HG PRO 8 2.090 8.439 7.513
59 2HG PRO 8 2HG PRO 8 0.882 8.000 6.268
60 1HD PRO 8 1HD PRO 8 2.998 6.402 7.311
61 2HD PRO 8 2HD PRO 8 1.904 5.980 5.958
62 H GLY 9 H GLY 9 5.464 10.035 4.141
63 1HA GLY 9 1HA GLY 9 7.512 9.900 6.304
64 2HA GLY 9 2HA GLY 9 7.699 10.653 4.723
65 H GLU 10 H GLU 10 8.514 12.547 5.900
66 HA GLU 10 HA GLU 10 6.952 14.159 7.615
67 1HB GLU 10 1HB GLU 10 9.358 14.525 5.852
68 2HB GLU 10 2HB GLU 10 8.441 15.981 6.180
69 1HG GLU 10 1HG GLU 10 9.873 16.071 7.934
70 2HG GLU 10 2HG GLU 10 8.541 15.229 8.701
71 H ASP 11 H ASP 11 6.343 13.488 4.342
72 HA ASP 11 HA ASP 11 4.337 15.680 4.185
73 1HB ASP 11 1HB ASP 11 6.455 15.883 2.651
74 2HB ASP 11 2HB ASP 11 5.695 14.624 1.694
75 H ALA 12 H ALA 12 3.063 13.992 5.298
76 HA ALA 12 HA ALA 12 2.251 11.623 3.831
77 1HB ALA 12 1HB ALA 12 0.798 12.938 6.162
78 2HB ALA 12 2HB ALA 12 0.782 11.235 5.659
79 3HB ALA 12 3HB ALA 12 2.248 11.950 6.376
80 H SER 13 H SER 13 2.020 13.174 1.901
81 HA SER 13 HA SER 13 -0.192 14.876 1.560
82 1HB SER 13 1HB SER 13 0.514 15.051 -0.609
83 2HB SER 13 2HB SER 13 1.943 14.277 0.052
84 HG SER 13 HG SER 13 1.473 12.488 -0.992
85 HA PRO 14 HA PRO 14 -3.745 12.307 0.989
86 1HB PRO 14 1HB PRO 14 -4.998 13.156 -1.329
87 2HB PRO 14 2HB PRO 14 -5.056 14.005 0.240
88 1HG PRO 14 1HG PRO 14 -3.471 14.692 -2.196
89 2HG PRO 14 2HG PRO 14 -4.103 15.767 -0.914
90 1HD PRO 14 1HD PRO 14 -1.474 14.793 -1.208
91 2HD PRO 14 2HD PRO 14 -2.123 15.612 0.249
92 H GLU 15 H GLU 15 -1.364 12.354 -1.581
93 HA GLU 15 HA GLU 15 -2.372 9.975 -2.924
94 1HB GLU 15 1HB GLU 15 -0.531 12.041 -3.505
95 2HB GLU 15 2HB GLU 15 0.487 10.623 -3.318
96 1HG GLU 15 1HG GLU 15 -0.392 9.578 -5.189
97 2HG GLU 15 2HG GLU 15 -2.004 10.250 -4.962
98 H GLU 16 H GLU 16 -0.496 10.590 -0.057
99 HA GLU 16 HA GLU 16 0.932 8.073 -0.050
100 1HB GLU 16 1HB GLU 16 1.033 10.488 1.406
101 2HB GLU 16 2HB GLU 16 0.452 9.314 2.583
102 1HG GLU 16 1HG GLU 16 2.874 9.562 2.613
103 2HG GLU 16 2HG GLU 16 2.427 7.915 2.183
104 H LEU 17 H LEU 17 -2.252 9.107 1.130
105 HA LEU 17 HA LEU 17 -2.895 6.721 2.593
106 1HB LEU 17 1HB LEU 17 -4.403 8.894 1.176
107 2HB LEU 17 2HB LEU 17 -5.290 7.412 1.489
108 HG LEU 17 HG LEU 17 -3.681 8.630 3.751
109 1HD1 LEU 17 1HD1 LEU 17 -5.047 10.474 2.713
110 2HD1 LEU 17 2HD1 LEU 17 -6.505 9.528 3.099
111 3HD1 LEU 17 3HD1 LEU 17 -5.431 10.096 4.403
112 1HD2 LEU 17 1HD2 LEU 17 -6.236 6.976 3.527
113 2HD2 LEU 17 2HD2 LEU 17 -4.671 6.474 4.204
114 3HD2 LEU 17 3HD2 LEU 17 -5.659 7.681 5.046
115 H SER 18 H SER 18 -3.221 7.426 -0.935
116 HA SER 18 HA SER 18 -4.209 4.881 -1.664
117 1HB SER 18 1HB SER 18 -2.399 6.585 -3.385
118 2HB SER 18 2HB SER 18 -3.695 5.480 -3.890
119 HG SER 18 HG SER 18 -4.088 7.915 -3.724
120 H ARG 19 H ARG 19 -0.929 5.936 -0.936
121 HA ARG 19 HA ARG 19 0.441 3.616 -1.995
122 1HB ARG 19 1HB ARG 19 2.309 4.702 -1.398
123 2HB ARG 19 2HB ARG 19 1.257 6.055 -1.133
124 1HG ARG 19 1HG ARG 19 2.261 6.192 0.847
125 2HG ARG 19 2HG ARG 19 1.193 4.962 1.408
126 1HD ARG 19 1HD ARG 19 2.799 3.546 1.826
127 2HD ARG 19 2HD ARG 19 3.469 3.671 0.196
128 HE ARG 19 HE ARG 19 4.409 5.072 2.593
129 1HH1 ARG 19 2HH2 ARG 19 4.201 5.529 -0.835
130 2HH1 ARG 19 1HH2 ARG 19 5.497 6.655 -0.846
131 1HH2 ARG 19 2HH1 ARG 19 6.087 6.392 2.531
132 2HH2 ARG 19 1HH1 ARG 19 6.779 6.931 1.005
133 H TYR 20 H TYR 20 -1.114 4.346 1.066
134 HA TYR 20 HA TYR 20 -0.002 2.145 2.550
135 1HB TYR 20 1HB TYR 20 -0.943 4.212 3.564
136 2HB TYR 20 2HB TYR 20 -2.540 3.775 2.989
137 HD1 TYR 20 1HD TYR 20 -4.000 2.624 4.408
138 HD2 TYR 20 2HD TYR 20 0.260 2.380 5.083
139 HE1 TYR 20 1HE TYR 20 -4.406 1.360 6.494
140 HE2 TYR 20 2HE TYR 20 -0.156 1.100 7.181
141 HH TYR 20 HH TYR 20 -3.453 0.254 8.253
142 H TYR 21 H TYR 21 -3.145 2.663 0.944
143 HA TYR 21 HA TYR 21 -4.167 0.011 1.309
144 1HB TYR 21 1HB TYR 21 -4.782 2.238 -0.643
145 2HB TYR 21 2HB TYR 21 -5.595 0.689 -0.736
146 HD1 TYR 21 1HD TYR 21 -5.364 3.837 1.109
147 HD2 TYR 21 2HD TYR 21 -7.057 -0.115 1.109
148 HE1 TYR 21 1HE TYR 21 -6.971 4.557 2.836
149 HE2 TYR 21 2HE TYR 21 -8.731 0.623 2.827
150 HH TYR 21 HH TYR 21 -8.722 3.916 4.186
151 H ALA 22 H ALA 22 -2.372 1.458 -1.496
152 HA ALA 22 HA ALA 22 -2.398 -0.931 -3.032
153 1HB ALA 22 1HB ALA 22 -1.778 1.414 -3.796
154 2HB ALA 22 2HB ALA 22 -0.194 1.164 -3.029
155 3HB ALA 22 3HB ALA 22 -0.721 0.115 -4.364
156 H SER 23 H SER 23 0.021 0.263 -0.614
157 HA SER 23 HA SER 23 1.734 -1.984 -0.847
158 1HB SER 23 1HB SER 23 2.229 0.261 0.346
159 2HB SER 23 2HB SER 23 1.412 -0.466 1.750
160 HG SER 23 HG SER 23 3.505 -1.755 0.325
161 H LEU 24 H LEU 24 -1.029 -1.450 1.455
162 HA LEU 24 HA LEU 24 -0.792 -3.821 2.887
163 1HB LEU 24 1HB LEU 24 -2.694 -3.143 3.810
164 2HB LEU 24 2HB LEU 24 -2.701 -1.812 2.692
165 HG LEU 24 HG LEU 24 -4.133 -3.211 1.128
166 1HD1 LEU 24 1HD1 LEU 24 -3.619 -5.279 3.112
167 2HD1 LEU 24 2HD1 LEU 24 -5.361 -4.962 3.010
168 3HD1 LEU 24 3HD1 LEU 24 -4.451 -5.391 1.554
169 1HD2 LEU 24 1HD2 LEU 24 -6.176 -2.794 2.299
170 2HD2 LEU 24 2HD2 LEU 24 -5.314 -2.662 3.854
171 3HD2 LEU 24 3HD2 LEU 24 -5.054 -1.458 2.579
172 H ARG 25 H ARG 25 -2.359 -3.422 -0.287
173 HA ARG 25 HA ARG 25 -3.037 -6.212 -0.510
174 1HB ARG 25 1HB ARG 25 -3.873 -4.013 -1.859
175 2HB ARG 25 2HB ARG 25 -2.621 -4.548 -2.980
176 1HG ARG 25 1HG ARG 25 -3.945 -6.937 -2.357
177 2HG ARG 25 2HG ARG 25 -5.245 -5.762 -2.253
178 1HD ARG 25 1HD ARG 25 -3.571 -5.453 -4.691
179 2HD ARG 25 2HD ARG 25 -4.235 -7.067 -4.538
180 HE ARG 25 HE ARG 25 -5.669 -4.670 -5.235
181 1HH1 ARG 25 2HH2 ARG 25 -6.158 -7.683 -3.545
182 2HH1 ARG 25 1HH2 ARG 25 -7.896 -7.663 -3.759
183 1HH2 ARG 25 2HH1 ARG 25 -7.879 -4.727 -5.614
184 2HH2 ARG 25 1HH1 ARG 25 -8.833 -6.027 -4.986
185 H HIS 26 H HIS 26 -0.309 -4.285 -1.742
186 HA HIS 26 HA HIS 26 0.983 -6.447 -3.089
187 1HB HIS 26 1HB HIS 26 1.397 -3.740 -2.936
188 2HB HIS 26 2HB HIS 26 2.695 -4.311 -1.901
189 HD1 HIS 26 1HD HIS 26 4.707 -3.870 -3.602
190 HE1 HIS 26 1HE HIS 26 3.312 -6.144 -6.915
191 H TYR 27 H TYR 27 1.018 -5.458 0.284
192 HA TYR 27 HA TYR 27 3.017 -7.275 1.239
193 1HB TYR 27 1HB TYR 27 1.110 -5.338 2.384
194 2HB TYR 27 2HB TYR 27 1.210 -6.792 3.329
195 HD1 TYR 27 1HD TYR 27 3.622 -4.555 1.483
196 HD2 TYR 27 2HD TYR 27 2.720 -6.760 5.077
197 HE1 TYR 27 1HE TYR 27 5.847 -3.959 2.414
198 HE2 TYR 27 2HE TYR 27 4.935 -6.136 6.017
199 HH TYR 27 HH TYR 27 7.198 -4.009 4.324
200 H LEU 28 H LEU 28 -0.590 -7.461 1.233
201 HA LEU 28 HA LEU 28 -0.825 -10.090 2.259
202 1HB LEU 28 1HB LEU 28 -2.802 -8.914 2.138
203 2HB LEU 28 2HB LEU 28 -2.450 -8.257 0.551
204 HG LEU 28 HG LEU 28 -2.938 -10.487 -0.470
205 1HD1 LEU 28 1HD1 LEU 28 -4.592 -11.775 1.364
206 2HD1 LEU 28 2HD1 LEU 28 -2.965 -12.262 0.900
207 3HD1 LEU 28 3HD1 LEU 28 -3.202 -11.288 2.355
208 1HD2 LEU 28 1HD2 LEU 28 -4.687 -8.445 0.387
209 2HD2 LEU 28 2HD2 LEU 28 -4.886 -9.609 -0.928
210 3HD2 LEU 28 3HD2 LEU 28 -5.542 -9.961 0.678
211 H ASN 29 H ASN 29 -0.310 -9.092 -1.154
212 HA ASN 29 HA ASN 29 -0.136 -11.874 -2.029
213 1HB ASN 29 1HB ASN 29 -0.738 -9.477 -3.265
214 2HB ASN 29 2HB ASN 29 0.915 -9.751 -3.830
215 1HD2 ASN 29 1HD2 ASN 29 -1.084 -9.689 -5.695
216 2HD2 ASN 29 2HD2 ASN 29 -1.476 -11.351 -6.173
217 H LEU 30 H LEU 30 2.089 -10.021 -0.388
218 HA LEU 30 HA LEU 30 4.498 -11.329 -1.572
219 1HB LEU 30 1HB LEU 30 4.789 -9.021 -1.443
220 2HB LEU 30 2HB LEU 30 3.923 -8.871 0.047
221 HG LEU 30 HG LEU 30 6.275 -10.427 0.622
222 1HD1 LEU 30 1HD1 LEU 30 6.852 -7.796 -0.762
223 2HD1 LEU 30 2HD1 LEU 30 8.020 -8.855 0.060
224 3HD1 LEU 30 3HD1 LEU 30 7.213 -9.408 -1.419
225 1HD2 LEU 30 1HD2 LEU 30 6.502 -8.948 2.374
226 2HD2 LEU 30 2HD2 LEU 30 6.032 -7.529 1.411
227 3HD2 LEU 30 3HD2 LEU 30 4.808 -8.638 2.002
228 H VAL 31 H VAL 31 2.728 -10.890 1.507
229 HA VAL 31 HA VAL 31 4.390 -12.727 3.000
230 HB VAL 31 HB VAL 31 1.629 -11.657 3.708
231 1HG1 VAL 31 1HG1 VAL 31 2.614 -11.869 6.080
232 2HG1 VAL 31 2HG1 VAL 31 2.194 -13.380 5.268
233 3HG1 VAL 31 3HG1 VAL 31 3.894 -12.855 5.348
234 1HG2 VAL 31 1HG2 VAL 31 2.465 -9.655 4.337
235 2HG2 VAL 31 2HG2 VAL 31 3.973 -10.331 4.985
236 3HG2 VAL 31 3HG2 VAL 31 3.823 -10.002 3.274
237 H THR 32 H THR 32 1.905 -13.206 0.749
238 HA THR 32 HA THR 32 1.551 -16.062 1.539
239 HB THR 32 HB THR 32 -0.547 -14.178 0.420
240 HG1 THR 32 1HG THR 32 -1.381 -14.366 2.436
241 1HG2 THR 32 1HG2 THR 32 -1.315 -16.256 -0.379
242 2HG2 THR 32 2HG2 THR 32 -0.651 -17.147 1.012
243 3HG2 THR 32 3HG2 THR 32 -2.097 -16.125 1.182
244 H ARG 33 H ARG 33 3.614 -15.043 -0.219
245 HA ARG 33 HA ARG 33 3.153 -16.934 -2.395
246 1HB ARG 33 1HB ARG 33 2.169 -14.447 -2.910
247 2HB ARG 33 2HB ARG 33 3.792 -14.218 -3.505
248 1HG ARG 33 1HG ARG 33 2.490 -16.773 -4.416
249 2HG ARG 33 2HG ARG 33 1.559 -15.342 -4.788
250 1HD ARG 33 1HD ARG 33 2.791 -15.275 -6.658
251 2HD ARG 33 2HD ARG 33 3.988 -14.470 -5.637
252 HE ARG 33 HE ARG 33 4.112 -17.420 -5.722
253 1HH1 ARG 33 2HH2 ARG 33 5.368 -14.471 -7.107
254 2HH1 ARG 33 1HH2 ARG 33 6.791 -15.205 -7.781
255 1HH2 ARG 33 2HH1 ARG 33 5.905 -18.380 -6.562
256 2HH2 ARG 33 1HH1 ARG 33 7.105 -17.439 -7.396
257 H GLN 34 H GLN 34 5.063 -16.730 -0.305
258 HA GLN 34 HA GLN 34 7.579 -16.531 -1.863
259 1HB GLN 34 1HB GLN 34 6.868 -14.727 0.158
260 2HB GLN 34 2HB GLN 34 7.815 -15.922 1.027
261 1HG GLN 34 1HG GLN 34 9.376 -14.302 0.311
262 2HG GLN 34 2HG GLN 34 9.609 -15.633 -0.820
263 1HE2 GLN 34 1HE2 GLN 34 9.709 -14.946 -3.029
264 2HE2 GLN 34 2HE2 GLN 34 8.947 -13.428 -3.503
265 H ARG 35 H ARG 35 9.367 -17.687 -0.766
266 HA ARG 35 HA ARG 35 8.454 -20.307 0.320
267 1HB ARG 35 1HB ARG 35 10.397 -21.292 -0.698
268 2HB ARG 35 2HB ARG 35 9.492 -20.402 -1.911
269 1HG ARG 35 1HG ARG 35 11.427 -19.424 -2.500
270 2HG ARG 35 2HG ARG 35 11.327 -18.467 -1.043
271 1HD ARG 35 1HD ARG 35 13.465 -19.405 -0.963
272 2HD ARG 35 2HD ARG 35 12.540 -20.421 0.143
273 HE ARG 35 HE ARG 35 12.268 -21.728 -2.256
274 1HH1 ARG 35 2HH2 ARG 35 15.069 -20.752 -0.471
275 2HH1 ARG 35 1HH2 ARG 35 16.133 -21.915 -1.223
276 1HH2 ARG 35 2HH1 ARG 35 13.598 -23.246 -3.208
277 2HH2 ARG 35 1HH1 ARG 35 15.274 -23.314 -2.744
278 H TYR 36 H TYR 36 9.308 -21.045 2.220
279 HA TYR 36 HA TYR 36 11.543 -19.604 3.493
280 1HB TYR 36 1HB TYR 36 9.321 -18.504 4.089
281 2HB TYR 36 2HB TYR 36 8.874 -19.990 4.901
282 HD1 TYR 36 1HD TYR 36 10.206 -16.795 5.372
283 HD2 TYR 36 2HD TYR 36 10.778 -20.870 6.667
284 HE1 TYR 36 1HE TYR 36 11.342 -16.006 7.472
285 HE2 TYR 36 2HE TYR 36 11.967 -20.070 8.689
286 HH TYR 36 HH TYR 36 12.333 -18.159 10.036
287 1HN NH2 37 NH1 NHE 37 12.949 -21.181 4.277
288 2HN NH2 37 NH2 NHE 37 12.360 -22.797 4.721
Start of MODEL 8
1 1H TYR 1 1H TYR 1 16.611 -0.950 9.663
2 2H TYR 1 2H TYR 1 15.319 0.025 9.360
3 3H TYR 1 3H TYR 1 15.261 -1.063 10.597
4 HA TYR 1 HA TYR 1 14.407 -1.423 8.002
5 1HB TYR 1 1HB TYR 1 16.981 -2.884 8.675
6 2HB TYR 1 2HB TYR 1 15.831 -3.498 7.485
7 HD1 TYR 1 1HD TYR 1 15.408 -2.402 5.370
8 HD2 TYR 1 2HD TYR 1 18.372 -0.870 8.128
9 HE1 TYR 1 1HE TYR 1 16.395 -1.010 3.557
10 HE2 TYR 1 2HE TYR 1 19.330 0.520 6.323
11 HH TYR 1 HH TYR 1 19.371 0.833 3.954
12 HA PRO 2 HA PRO 2 12.721 -4.180 11.345
13 1HB PRO 2 1HB PRO 2 10.312 -2.975 11.870
14 2HB PRO 2 2HB PRO 2 11.831 -2.584 12.714
15 1HG PRO 2 1HG PRO 2 10.426 -1.030 10.597
16 2HG PRO 2 2HG PRO 2 11.450 -0.447 11.928
17 1HD PRO 2 1HD PRO 2 12.188 -0.831 9.196
18 2HD PRO 2 2HD PRO 2 13.274 -0.467 10.577
19 H ALA 3 H ALA 3 10.992 -5.696 11.126
20 HA ALA 3 HA ALA 3 10.363 -6.318 8.364
21 1HB ALA 3 1HB ALA 3 9.551 -7.792 10.904
22 2HB ALA 3 2HB ALA 3 9.632 -8.430 9.248
23 3HB ALA 3 3HB ALA 3 11.121 -7.984 10.093
24 H LYS 4 H LYS 4 9.075 -4.282 8.124
25 HA LYS 4 HA LYS 4 6.211 -4.894 8.352
26 1HB LYS 4 1HB LYS 4 5.766 -2.612 9.454
27 2HB LYS 4 2HB LYS 4 6.396 -3.901 10.454
28 1HG LYS 4 1HG LYS 4 7.456 -1.904 11.101
29 2HG LYS 4 2HG LYS 4 8.672 -2.892 10.325
30 1HD LYS 4 1HD LYS 4 9.090 -1.361 8.732
31 2HD LYS 4 2HD LYS 4 7.385 -1.100 8.378
32 1HE LYS 4 1HE LYS 4 7.122 0.656 9.746
33 2HE LYS 4 2HE LYS 4 8.215 0.032 10.978
34 1HZ LYS 4 1HZ LYS 4 9.902 1.144 10.115
35 2HZ LYS 4 2HZ LYS 4 9.559 0.718 8.558
36 3HZ LYS 4 3HZ LYS 4 8.803 2.010 9.245
37 HA PRO 5 HA PRO 5 6.195 -2.577 4.576
38 1HB PRO 5 1HB PRO 5 3.640 -1.551 4.503
39 2HB PRO 5 2HB PRO 5 4.055 -3.225 4.148
40 1HG PRO 5 1HG PRO 5 2.747 -2.150 6.583
41 2HG PRO 5 2HG PRO 5 2.670 -3.782 5.873
42 1HD PRO 5 1HD PRO 5 4.222 -2.921 8.065
43 2HD PRO 5 2HD PRO 5 4.335 -4.501 7.240
44 H GLU 6 H GLU 6 6.383 -0.506 3.656
45 HA GLU 6 HA GLU 6 7.400 1.503 5.348
46 1HB GLU 6 1HB GLU 6 7.695 1.068 2.770
47 2HB GLU 6 2HB GLU 6 6.291 2.133 2.603
48 1HG GLU 6 1HG GLU 6 7.469 3.913 3.850
49 2HG GLU 6 2HG GLU 6 8.846 2.841 4.117
50 H ALA 7 H ALA 7 6.584 3.579 5.957
51 HA ALA 7 HA ALA 7 3.797 4.257 5.505
52 1HB ALA 7 1HB ALA 7 3.698 2.517 7.337
53 2HB ALA 7 2HB ALA 7 4.601 3.633 8.377
54 3HB ALA 7 3HB ALA 7 3.001 4.090 7.745
55 HA PRO 8 HA PRO 8 6.548 7.868 6.213
56 1HB PRO 8 1HB PRO 8 5.344 9.563 4.390
57 2HB PRO 8 2HB PRO 8 6.655 8.415 4.000
58 1HG PRO 8 1HG PRO 8 3.733 8.203 3.394
59 2HG PRO 8 2HG PRO 8 5.128 7.509 2.519
60 1HD PRO 8 1HD PRO 8 3.408 6.178 4.357
61 2HD PRO 8 2HD PRO 8 4.949 5.548 3.698
62 H GLY 9 H GLY 9 6.047 9.989 7.098
63 1HA GLY 9 1HA GLY 9 3.337 10.712 7.802
64 2HA GLY 9 2HA GLY 9 4.308 10.134 9.181
65 H GLU 10 H GLU 10 3.325 12.784 8.809
66 HA GLU 10 HA GLU 10 3.946 14.917 9.231
67 1HB GLU 10 1HB GLU 10 6.131 13.612 10.195
68 2HB GLU 10 2HB GLU 10 6.884 14.550 8.905
69 1HG GLU 10 1HG GLU 10 5.360 16.490 10.083
70 2HG GLU 10 2HG GLU 10 5.563 15.407 11.458
71 H ASP 11 H ASP 11 5.594 13.324 6.600
72 HA ASP 11 HA ASP 11 5.173 15.586 4.698
73 1HB ASP 11 1HB ASP 11 7.665 14.157 5.506
74 2HB ASP 11 2HB ASP 11 7.438 14.291 3.775
75 H ALA 12 H ALA 12 3.203 14.467 4.127
76 HA ALA 12 HA ALA 12 3.419 12.967 1.733
77 1HB ALA 12 1HB ALA 12 3.872 10.955 2.854
78 2HB ALA 12 2HB ALA 12 2.835 11.363 4.243
79 3HB ALA 12 3HB ALA 12 2.123 10.909 2.689
80 H SER 13 H SER 13 1.746 13.792 0.616
81 HA SER 13 HA SER 13 -0.472 15.145 1.823
82 1HB SER 13 1HB SER 13 -0.951 15.823 -0.289
83 2HB SER 13 2HB SER 13 0.677 15.248 -0.618
84 HG SER 13 HG SER 13 -0.860 14.449 -2.114
85 HA PRO 14 HA PRO 14 -3.461 11.967 2.416
86 1HB PRO 14 1HB PRO 14 -5.810 12.824 1.226
87 2HB PRO 14 2HB PRO 14 -5.165 13.432 2.773
88 1HG PRO 14 1HG PRO 14 -5.128 14.734 0.083
89 2HG PRO 14 2HG PRO 14 -5.165 15.486 1.709
90 1HD PRO 14 1HD PRO 14 -2.938 15.160 0.031
91 2HD PRO 14 2HD PRO 14 -2.878 15.603 1.757
92 H GLU 15 H GLU 15 -2.545 12.746 -0.834
93 HA GLU 15 HA GLU 15 -3.931 10.532 -2.131
94 1HB GLU 15 1HB GLU 15 -2.483 12.820 -2.991
95 2HB GLU 15 2HB GLU 15 -1.467 11.451 -3.437
96 1HG GLU 15 1HG GLU 15 -3.711 10.441 -4.387
97 2HG GLU 15 2HG GLU 15 -4.295 12.105 -4.286
98 H GLU 16 H GLU 16 -0.817 11.003 -0.462
99 HA GLU 16 HA GLU 16 0.427 8.592 -1.417
100 1HB GLU 16 1HB GLU 16 1.272 10.802 0.008
101 2HB GLU 16 2HB GLU 16 1.132 9.592 1.281
102 1HG GLU 16 1HG GLU 16 3.397 9.620 0.449
103 2HG GLU 16 2HG GLU 16 2.654 8.086 0.033
104 H LEU 17 H LEU 17 -1.736 9.307 1.318
105 HA LEU 17 HA LEU 17 -1.490 6.792 2.654
106 1HB LEU 17 1HB LEU 17 -2.960 9.172 2.943
107 2HB LEU 17 2HB LEU 17 -4.211 7.958 2.693
108 HG LEU 17 HG LEU 17 -1.953 7.611 4.717
109 1HD1 LEU 17 1HD1 LEU 17 -2.797 9.478 5.640
110 2HD1 LEU 17 2HD1 LEU 17 -4.380 9.331 4.858
111 3HD1 LEU 17 3HD1 LEU 17 -3.997 8.378 6.306
112 1HD2 LEU 17 1HD2 LEU 17 -4.271 5.981 3.924
113 2HD2 LEU 17 2HD2 LEU 17 -2.837 5.565 4.875
114 3HD2 LEU 17 3HD2 LEU 17 -4.232 6.306 5.663
115 H SER 18 H SER 18 -3.471 7.745 -0.115
116 HA SER 18 HA SER 18 -4.865 5.232 -0.450
117 1HB SER 18 1HB SER 18 -6.021 6.608 -1.744
118 2HB SER 18 2HB SER 18 -4.750 7.830 -1.738
119 HG SER 18 HG SER 18 -4.224 7.265 -3.661
120 H ARG 19 H ARG 19 -1.675 6.357 -1.420
121 HA ARG 19 HA ARG 19 -1.052 4.199 -3.239
122 1HB ARG 19 1HB ARG 19 0.849 5.371 -3.552
123 2HB ARG 19 2HB ARG 19 0.096 6.603 -2.591
124 1HG ARG 19 1HG ARG 19 2.009 6.526 -1.441
125 2HG ARG 19 2HG ARG 19 1.308 5.244 -0.544
126 1HD ARG 19 1HD ARG 19 2.780 3.758 -1.210
127 2HD ARG 19 2HD ARG 19 2.539 4.154 -2.919
128 HE ARG 19 HE ARG 19 3.986 6.243 -1.610
129 1HH1 ARG 19 2HH2 ARG 19 4.348 3.180 -3.168
130 2HH1 ARG 19 1HH2 ARG 19 6.067 3.340 -3.434
131 1HH2 ARG 19 2HH1 ARG 19 6.190 6.460 -1.913
132 2HH2 ARG 19 1HH1 ARG 19 7.098 5.237 -2.752
133 H TYR 20 H TYR 20 -0.924 4.561 0.224
134 HA TYR 20 HA TYR 20 0.810 2.311 0.729
135 1HB TYR 20 1HB TYR 20 0.669 4.231 2.263
136 2HB TYR 20 2HB TYR 20 -1.045 3.912 2.536
137 HD1 TYR 20 1HD TYR 20 1.979 1.648 2.510
138 HD2 TYR 20 2HD TYR 20 -1.368 3.223 4.750
139 HE1 TYR 20 1HE TYR 20 2.470 0.119 4.335
140 HE2 TYR 20 2HE TYR 20 -0.803 1.683 6.635
141 HH TYR 20 HH TYR 20 1.715 -0.775 6.341
142 H TYR 21 H TYR 21 -2.679 2.834 1.229
143 HA TYR 21 HA TYR 21 -3.482 0.213 1.941
144 1HB TYR 21 1HB TYR 21 -4.731 2.668 0.771
145 2HB TYR 21 2HB TYR 21 -5.587 1.173 0.495
146 HD1 TYR 21 1HD TYR 21 -3.812 2.791 3.451
147 HD2 TYR 21 2HD TYR 21 -7.292 0.728 1.940
148 HE1 TYR 21 1HE TYR 21 -4.905 2.959 5.696
149 HE2 TYR 21 2HE TYR 21 -8.374 0.912 4.151
150 HH TYR 21 HH TYR 21 -8.148 1.609 6.302
151 H ALA 22 H ALA 22 -2.852 1.560 -1.298
152 HA ALA 22 HA ALA 22 -3.674 -0.753 -2.799
153 1HB ALA 22 1HB ALA 22 -2.166 1.777 -3.281
154 2HB ALA 22 2HB ALA 22 -1.758 0.430 -4.351
155 3HB ALA 22 3HB ALA 22 -3.438 0.997 -4.236
156 H SER 23 H SER 23 -0.418 0.314 -1.651
157 HA SER 23 HA SER 23 0.944 -2.027 -2.499
158 1HB SER 23 1HB SER 23 1.737 0.323 -1.360
159 2HB SER 23 2HB SER 23 1.924 -0.781 0.018
160 HG SER 23 HG SER 23 3.772 -0.631 -1.421
161 H LEU 24 H LEU 24 -0.786 -1.400 0.585
162 HA LEU 24 HA LEU 24 -0.085 -3.670 2.027
163 1HB LEU 24 1HB LEU 24 -2.638 -2.070 1.877
164 2HB LEU 24 2HB LEU 24 -2.584 -3.505 2.886
165 HG LEU 24 HG LEU 24 -0.581 -1.237 3.163
166 1HD1 LEU 24 1HD1 LEU 24 -2.321 -0.040 3.972
167 2HD1 LEU 24 2HD1 LEU 24 -3.401 -1.445 4.068
168 3HD1 LEU 24 3HD1 LEU 24 -2.265 -1.096 5.379
169 1HD2 LEU 24 1HD2 LEU 24 -0.261 -3.752 4.124
170 2HD2 LEU 24 2HD2 LEU 24 0.244 -2.312 4.999
171 3HD2 LEU 24 3HD2 LEU 24 -1.285 -3.114 5.406
172 H ARG 25 H ARG 25 -2.717 -3.538 -0.388
173 HA ARG 25 HA ARG 25 -3.483 -6.308 -0.200
174 1HB ARG 25 1HB ARG 25 -3.940 -4.008 -2.008
175 2HB ARG 25 2HB ARG 25 -3.873 -5.528 -2.899
176 1HG ARG 25 1HG ARG 25 -5.732 -6.431 -1.864
177 2HG ARG 25 2HG ARG 25 -5.527 -5.480 -0.382
178 1HD ARG 25 1HD ARG 25 -6.139 -3.423 -1.624
179 2HD ARG 25 2HD ARG 25 -6.489 -4.411 -3.062
180 HE ARG 25 HE ARG 25 -7.937 -5.545 -0.952
181 1HH1 ARG 25 2HH2 ARG 25 -7.928 -2.430 -2.519
182 2HH1 ARG 25 1HH2 ARG 25 -9.593 -2.085 -2.175
183 1HH2 ARG 25 2HH1 ARG 25 -10.055 -5.057 -0.396
184 2HH2 ARG 25 1HH1 ARG 25 -10.754 -3.556 -0.917
185 H HIS 26 H HIS 26 -0.957 -4.740 -2.115
186 HA HIS 26 HA HIS 26 -0.161 -7.231 -3.390
187 1HB HIS 26 1HB HIS 26 0.211 -4.614 -4.011
188 2HB HIS 26 2HB HIS 26 1.746 -4.921 -3.205
189 HD1 HIS 26 1HD HIS 26 3.531 -5.585 -5.017
190 HE1 HIS 26 1HE HIS 26 1.067 -7.766 -7.728
191 H TYR 27 H TYR 27 0.734 -5.527 -0.463
192 HA TYR 27 HA TYR 27 3.011 -7.015 0.332
193 1HB TYR 27 1HB TYR 27 1.570 -4.809 1.269
194 2HB TYR 27 2HB TYR 27 1.392 -5.980 2.548
195 HD1 TYR 27 1HD TYR 27 3.648 -3.787 0.674
196 HD2 TYR 27 2HD TYR 27 3.431 -6.832 3.717
197 HE1 TYR 27 1HE TYR 27 5.971 -3.232 1.403
198 HE2 TYR 27 2HE TYR 27 5.740 -6.277 4.449
199 HH TYR 27 HH TYR 27 7.465 -4.645 4.254
200 H LEU 28 H LEU 28 -0.450 -7.487 0.984
201 HA LEU 28 HA LEU 28 -0.385 -9.723 2.706
202 1HB LEU 28 1HB LEU 28 -2.478 -8.793 2.403
203 2HB LEU 28 2HB LEU 28 -2.278 -8.589 0.681
204 HG LEU 28 HG LEU 28 -2.592 -11.075 0.366
205 1HD1 LEU 28 1HD1 LEU 28 -3.972 -12.044 2.425
206 2HD1 LEU 28 2HD1 LEU 28 -2.205 -12.188 2.359
207 3HD1 LEU 28 3HD1 LEU 28 -2.958 -10.925 3.357
208 1HD2 LEU 28 1HD2 LEU 28 -4.358 -9.388 0.003
209 2HD2 LEU 28 2HD2 LEU 28 -4.964 -10.974 0.486
210 3HD2 LEU 28 3HD2 LEU 28 -4.911 -9.646 1.679
211 H ASN 29 H ASN 29 -0.405 -9.759 -0.895
212 HA ASN 29 HA ASN 29 0.109 -12.605 -1.032
213 1HB ASN 29 1HB ASN 29 -0.704 -10.587 -2.842
214 2HB ASN 29 2HB ASN 29 0.874 -11.095 -3.436
215 1HD2 ASN 29 1HD2 ASN 29 -2.343 -11.688 -3.853
216 2HD2 ASN 29 2HD2 ASN 29 -2.214 -13.400 -4.248
217 H LEU 30 H LEU 30 2.174 -10.046 -0.247
218 HA LEU 30 HA LEU 30 4.618 -11.261 -1.334
219 1HB LEU 30 1HB LEU 30 3.837 -8.665 -0.630
220 2HB LEU 30 2HB LEU 30 4.859 -9.101 0.706
221 HG LEU 30 HG LEU 30 6.266 -9.935 -1.641
222 1HD1 LEU 30 1HD1 LEU 30 6.184 -8.230 -3.212
223 2HD1 LEU 30 2HD1 LEU 30 4.476 -8.375 -2.777
224 3HD1 LEU 30 3HD1 LEU 30 5.449 -7.063 -2.089
225 1HD2 LEU 30 1HD2 LEU 30 7.694 -7.881 -1.068
226 2HD2 LEU 30 2HD2 LEU 30 6.541 -7.584 0.248
227 3HD2 LEU 30 3HD2 LEU 30 7.469 -9.098 0.204
228 H VAL 31 H VAL 31 3.199 -10.574 1.882
229 HA VAL 31 HA VAL 31 5.164 -12.135 3.336
230 HB VAL 31 HB VAL 31 2.418 -11.221 4.235
231 1HG1 VAL 31 1HG1 VAL 31 2.905 -12.327 6.136
232 2HG1 VAL 31 2HG1 VAL 31 4.570 -12.661 5.628
233 3HG1 VAL 31 3HG1 VAL 31 4.184 -11.149 6.438
234 1HG2 VAL 31 1HG2 VAL 31 4.214 -9.390 3.396
235 2HG2 VAL 31 2HG2 VAL 31 3.192 -9.152 4.805
236 3HG2 VAL 31 3HG2 VAL 31 4.885 -9.662 4.991
237 H THR 32 H THR 32 2.371 -13.045 1.519
238 HA THR 32 HA THR 32 1.816 -15.567 2.793
239 HB THR 32 HB THR 32 0.487 -14.081 1.028
240 HG1 THR 32 1HG THR 32 -0.647 -15.532 1.954
241 1HG2 THR 32 1HG2 THR 32 0.341 -14.856 -1.145
242 2HG2 THR 32 2HG2 THR 32 2.099 -14.860 -0.882
243 3HG2 THR 32 3HG2 THR 32 1.182 -16.370 -0.793
244 H ARG 33 H ARG 33 4.623 -14.734 1.345
245 HA ARG 33 HA ARG 33 5.470 -17.528 0.888
246 1HB ARG 33 1HB ARG 33 6.253 -17.119 -1.379
247 2HB ARG 33 2HB ARG 33 4.509 -16.902 -1.288
248 1HG ARG 33 1HG ARG 33 4.610 -14.599 -1.652
249 2HG ARG 33 2HG ARG 33 6.166 -14.429 -0.865
250 1HD ARG 33 1HD ARG 33 6.916 -14.083 -2.926
251 2HD ARG 33 2HD ARG 33 7.048 -15.846 -2.944
252 HE ARG 33 HE ARG 33 4.448 -15.107 -3.850
253 1HH1 ARG 33 2HH2 ARG 33 7.763 -14.921 -4.978
254 2HH1 ARG 33 1HH2 ARG 33 7.310 -14.802 -6.654
255 1HH2 ARG 33 2HH1 ARG 33 3.910 -15.031 -6.027
256 2HH2 ARG 33 1HH1 ARG 33 5.133 -14.787 -7.241
257 H GLN 34 H GLN 34 6.215 -15.444 2.829
258 HA GLN 34 HA GLN 34 9.106 -15.248 2.191
259 1HB GLN 34 1HB GLN 34 7.493 -13.017 2.047
260 2HB GLN 34 2HB GLN 34 7.929 -12.982 3.742
261 1HG GLN 34 1HG GLN 34 10.362 -13.514 2.298
262 2HG GLN 34 2HG GLN 34 9.489 -12.310 1.358
263 1HE2 GLN 34 1HE2 GLN 34 10.148 -10.210 1.921
264 2HE2 GLN 34 2HE2 GLN 34 10.699 -9.821 3.549
265 H ARG 35 H ARG 35 10.350 -14.575 4.250
266 HA ARG 35 HA ARG 35 9.385 -15.183 6.824
267 1HB ARG 35 1HB ARG 35 10.270 -17.491 5.199
268 2HB ARG 35 2HB ARG 35 11.233 -17.343 6.643
269 1HG ARG 35 1HG ARG 35 8.209 -17.235 6.852
270 2HG ARG 35 2HG ARG 35 9.038 -18.763 6.637
271 1HD ARG 35 1HD ARG 35 8.798 -18.601 8.952
272 2HD ARG 35 2HD ARG 35 10.464 -18.155 8.663
273 HE ARG 35 HE ARG 35 10.007 -16.125 9.623
274 1HH1 ARG 35 2HH2 ARG 35 6.925 -17.419 8.627
275 2HH1 ARG 35 1HH2 ARG 35 5.997 -16.178 9.396
276 1HH2 ARG 35 2HH1 ARG 35 8.775 -14.384 10.453
277 2HH2 ARG 35 1HH1 ARG 35 7.054 -14.454 10.329
278 H TYR 36 H TYR 36 10.896 -14.670 8.323
279 HA TYR 36 HA TYR 36 13.314 -13.257 7.566
280 1HB TYR 36 1HB TYR 36 12.082 -12.401 9.408
281 2HB TYR 36 2HB TYR 36 11.924 -13.988 10.153
282 HD1 TYR 36 1HD TYR 36 13.040 -14.104 12.179
283 HD2 TYR 36 2HD TYR 36 14.879 -11.953 8.918
284 HE1 TYR 36 1HE TYR 36 15.033 -13.648 13.600
285 HE2 TYR 36 2HE TYR 36 16.895 -11.541 10.339
286 HH TYR 36 HH TYR 36 16.900 -12.000 13.721
287 1HN NH2 37 NH1 NHE 37 15.334 -14.196 7.250
288 2HN NH2 37 NH2 NHE 37 15.749 -15.752 7.965
Start of MODEL 9
1 1H TYR 1 1H TYR 1 17.694 -9.314 5.851
2 2H TYR 1 2H TYR 1 16.980 -10.604 6.573
3 3H TYR 1 3H TYR 1 17.941 -10.821 5.263
4 HA TYR 1 HA TYR 1 16.373 -9.391 3.963
5 1HB TYR 1 1HB TYR 1 15.720 -12.176 4.913
6 2HB TYR 1 2HB TYR 1 14.592 -11.321 3.874
7 HD1 TYR 1 1HD TYR 1 15.801 -10.000 1.814
8 HD2 TYR 1 2HD TYR 1 17.098 -13.679 3.679
9 HE1 TYR 1 1HE TYR 1 17.025 -10.628 -0.255
10 HE2 TYR 1 2HE TYR 1 18.311 -14.294 1.597
11 HH TYR 1 HH TYR 1 19.221 -13.325 -0.424
12 HA PRO 2 HA PRO 2 13.417 -7.796 7.096
13 1HB PRO 2 1HB PRO 2 13.738 -5.110 6.570
14 2HB PRO 2 2HB PRO 2 14.728 -6.027 7.740
15 1HG PRO 2 1HG PRO 2 15.470 -5.071 5.000
16 2HG PRO 2 2HG PRO 2 16.510 -5.356 6.431
17 1HD PRO 2 1HD PRO 2 16.114 -7.095 4.199
18 2HD PRO 2 2HD PRO 2 16.971 -7.468 5.730
19 H ALA 3 H ALA 3 11.361 -6.966 6.708
20 HA ALA 3 HA ALA 3 10.522 -5.824 4.201
21 1HB ALA 3 1HB ALA 3 10.709 -8.405 3.778
22 2HB ALA 3 2HB ALA 3 9.281 -8.532 4.812
23 3HB ALA 3 3HB ALA 3 9.222 -7.572 3.318
24 H LYS 4 H LYS 4 9.365 -4.200 5.178
25 HA LYS 4 HA LYS 4 7.197 -4.988 7.020
26 1HB LYS 4 1HB LYS 4 7.556 -3.074 8.458
27 2HB LYS 4 2HB LYS 4 8.960 -4.095 8.466
28 1HG LYS 4 1HG LYS 4 8.999 -1.813 6.479
29 2HG LYS 4 2HG LYS 4 8.914 -1.363 8.156
30 1HD LYS 4 1HD LYS 4 10.943 -3.409 7.941
31 2HD LYS 4 2HD LYS 4 11.199 -2.268 6.621
32 1HE LYS 4 1HE LYS 4 11.584 -0.461 8.038
33 2HE LYS 4 2HE LYS 4 10.587 -1.121 9.336
34 1HZ LYS 4 1HZ LYS 4 13.233 -2.205 8.604
35 2HZ LYS 4 2HZ LYS 4 12.933 -1.198 9.873
36 3HZ LYS 4 3HZ LYS 4 12.274 -2.705 9.847
37 HA PRO 5 HA PRO 5 4.794 -2.437 4.330
38 1HB PRO 5 1HB PRO 5 2.764 -1.645 5.974
39 2HB PRO 5 2HB PRO 5 2.899 -3.261 5.245
40 1HG PRO 5 1HG PRO 5 3.381 -2.420 8.066
41 2HG PRO 5 2HG PRO 5 2.886 -4.016 7.424
42 1HD PRO 5 1HD PRO 5 5.473 -3.212 8.223
43 2HD PRO 5 2HD PRO 5 5.059 -4.706 7.332
44 H GLU 6 H GLU 6 5.774 -0.625 3.670
45 HA GLU 6 HA GLU 6 6.890 1.376 5.312
46 1HB GLU 6 1HB GLU 6 7.170 0.815 2.723
47 2HB GLU 6 2HB GLU 6 5.849 1.964 2.521
48 1HG GLU 6 1HG GLU 6 8.014 3.071 2.233
49 2HG GLU 6 2HG GLU 6 7.172 3.721 3.632
50 H ALA 7 H ALA 7 6.234 3.507 5.826
51 HA ALA 7 HA ALA 7 3.552 4.485 5.273
52 1HB ALA 7 1HB ALA 7 4.009 2.859 7.709
53 2HB ALA 7 2HB ALA 7 3.197 4.418 7.980
54 3HB ALA 7 3HB ALA 7 2.529 3.246 6.831
55 HA PRO 8 HA PRO 8 6.634 7.717 6.352
56 1HB PRO 8 1HB PRO 8 5.747 9.607 4.529
57 2HB PRO 8 2HB PRO 8 6.956 8.342 4.176
58 1HG PRO 8 1HG PRO 8 4.090 8.462 3.358
59 2HG PRO 8 2HG PRO 8 5.472 7.666 2.550
60 1HD PRO 8 1HD PRO 8 3.489 6.457 4.192
61 2HD PRO 8 2HD PRO 8 4.992 5.682 3.614
62 H GLY 9 H GLY 9 6.277 9.854 7.284
63 1HA GLY 9 1HA GLY 9 3.583 10.768 7.882
64 2HA GLY 9 2HA GLY 9 4.476 10.127 9.284
65 H GLU 10 H GLU 10 3.663 12.869 8.792
66 HA GLU 10 HA GLU 10 4.413 14.970 9.199
67 1HB GLU 10 1HB GLU 10 6.325 13.550 10.409
68 2HB GLU 10 2HB GLU 10 7.336 14.261 9.169
69 1HG GLU 10 1HG GLU 10 5.484 16.021 10.818
70 2HG GLU 10 2HG GLU 10 6.897 15.330 11.591
71 H ASP 11 H ASP 11 5.757 13.152 6.577
72 HA ASP 11 HA ASP 11 5.466 15.472 4.760
73 1HB ASP 11 1HB ASP 11 7.822 15.479 5.395
74 2HB ASP 11 2HB ASP 11 7.974 13.772 4.974
75 H ALA 12 H ALA 12 3.563 14.379 4.121
76 HA ALA 12 HA ALA 12 3.812 12.848 1.771
77 1HB ALA 12 1HB ALA 12 3.355 11.259 4.277
78 2HB ALA 12 2HB ALA 12 2.371 10.840 2.863
79 3HB ALA 12 3HB ALA 12 4.145 10.811 2.753
80 H SER 13 H SER 13 2.195 13.771 0.597
81 HA SER 13 HA SER 13 -0.043 15.097 1.630
82 1HB SER 13 1HB SER 13 -0.533 14.149 -1.046
83 2HB SER 13 2HB SER 13 -0.088 15.775 -0.505
84 HG SER 13 HG SER 13 1.362 14.784 -2.056
85 HA PRO 14 HA PRO 14 -3.058 11.984 2.298
86 1HB PRO 14 1HB PRO 14 -5.383 12.923 1.117
87 2HB PRO 14 2HB PRO 14 -4.698 13.525 2.647
88 1HG PRO 14 1HG PRO 14 -4.618 14.783 -0.065
89 2HG PRO 14 2HG PRO 14 -4.632 15.559 1.543
90 1HD PRO 14 1HD PRO 14 -2.400 15.150 -0.115
91 2HD PRO 14 2HD PRO 14 -2.338 15.578 1.610
92 H GLU 15 H GLU 15 -2.273 12.759 -0.968
93 HA GLU 15 HA GLU 15 -3.577 10.535 -2.272
94 1HB GLU 15 1HB GLU 15 -2.088 12.812 -3.091
95 2HB GLU 15 2HB GLU 15 -1.107 11.426 -3.578
96 1HG GLU 15 1HG GLU 15 -3.151 10.425 -4.650
97 2HG GLU 15 2HG GLU 15 -4.057 11.878 -4.225
98 H GLU 16 H GLU 16 -0.393 10.982 -0.641
99 HA GLU 16 HA GLU 16 0.729 8.522 -1.564
100 1HB GLU 16 1HB GLU 16 1.716 10.702 -0.224
101 2HB GLU 16 2HB GLU 16 1.554 9.554 1.096
102 1HG GLU 16 1HG GLU 16 3.775 9.362 0.256
103 2HG GLU 16 2HG GLU 16 2.910 7.893 -0.203
104 H LEU 17 H LEU 17 -1.259 9.331 1.285
105 HA LEU 17 HA LEU 17 -1.091 6.789 2.560
106 1HB LEU 17 1HB LEU 17 -2.309 9.182 3.099
107 2HB LEU 17 2HB LEU 17 -3.723 8.221 2.681
108 HG LEU 17 HG LEU 17 -1.615 7.281 4.678
109 1HD1 LEU 17 1HD1 LEU 17 -3.836 9.273 5.040
110 2HD1 LEU 17 2HD1 LEU 17 -3.487 8.141 6.365
111 3HD1 LEU 17 3HD1 LEU 17 -2.217 9.207 5.755
112 1HD2 LEU 17 1HD2 LEU 17 -3.612 5.774 3.649
113 2HD2 LEU 17 2HD2 LEU 17 -3.040 5.621 5.308
114 3HD2 LEU 17 3HD2 LEU 17 -4.514 6.554 4.948
115 H SER 18 H SER 18 -3.147 7.872 -0.128
116 HA SER 18 HA SER 18 -4.669 5.416 -0.357
117 1HB SER 18 1HB SER 18 -5.554 6.282 -2.331
118 2HB SER 18 2HB SER 18 -5.249 7.710 -1.329
119 HG SER 18 HG SER 18 -3.188 7.918 -2.565
120 H ARG 19 H ARG 19 -1.452 6.304 -1.379
121 HA ARG 19 HA ARG 19 -1.067 4.127 -3.278
122 1HB ARG 19 1HB ARG 19 0.845 5.217 -3.756
123 2HB ARG 19 2HB ARG 19 0.215 6.496 -2.771
124 1HG ARG 19 1HG ARG 19 2.271 6.379 -1.877
125 2HG ARG 19 2HG ARG 19 1.548 5.219 -0.795
126 1HD ARG 19 1HD ARG 19 2.817 3.530 -1.489
127 2HD ARG 19 2HD ARG 19 2.541 3.886 -3.191
128 HE ARG 19 HE ARG 19 4.428 5.225 -3.276
129 1HH1 ARG 19 2HH2 ARG 19 3.874 4.446 0.094
130 2HH1 ARG 19 1HH2 ARG 19 5.411 5.103 0.604
131 1HH2 ARG 19 2HH1 ARG 19 6.295 6.152 -2.562
132 2HH2 ARG 19 1HH1 ARG 19 6.807 6.018 -0.906
133 H TYR 20 H TYR 20 -0.773 4.545 0.177
134 HA TYR 20 HA TYR 20 0.899 2.235 0.634
135 1HB TYR 20 1HB TYR 20 0.898 4.074 2.231
136 2HB TYR 20 2HB TYR 20 -0.835 3.896 2.487
137 HD1 TYR 20 1HD TYR 20 1.698 1.098 2.336
138 HD2 TYR 20 2HD TYR 20 -0.977 3.454 4.784
139 HE1 TYR 20 1HE TYR 20 1.998 -0.485 4.188
140 HE2 TYR 20 2HE TYR 20 -0.631 1.873 6.664
141 HH TYR 20 HH TYR 20 0.405 -0.008 7.364
142 H TYR 21 H TYR 21 -2.586 2.819 1.290
143 HA TYR 21 HA TYR 21 -3.374 0.245 2.039
144 1HB TYR 21 1HB TYR 21 -4.677 2.602 0.741
145 2HB TYR 21 2HB TYR 21 -5.527 1.077 0.567
146 HD1 TYR 21 1HD TYR 21 -5.253 3.893 2.652
147 HD2 TYR 21 2HD TYR 21 -5.698 -0.400 2.785
148 HE1 TYR 21 1HE TYR 21 -6.444 4.078 4.836
149 HE2 TYR 21 2HE TYR 21 -6.849 -0.209 4.983
150 HH TYR 21 HH TYR 21 -7.916 2.866 6.305
151 H ALA 22 H ALA 22 -2.883 1.430 -1.279
152 HA ALA 22 HA ALA 22 -3.695 -0.968 -2.664
153 1HB ALA 22 1HB ALA 22 -2.248 0.101 -4.492
154 2HB ALA 22 2HB ALA 22 -3.585 1.096 -3.873
155 3HB ALA 22 3HB ALA 22 -1.918 1.415 -3.350
156 H SER 23 H SER 23 -0.433 0.250 -1.677
157 HA SER 23 HA SER 23 0.977 -2.079 -2.484
158 1HB SER 23 1HB SER 23 1.724 0.363 -1.475
159 2HB SER 23 2HB SER 23 2.058 -0.690 -0.090
160 HG SER 23 HG SER 23 3.332 -1.980 -1.476
161 H LEU 24 H LEU 24 -0.712 -1.381 0.579
162 HA LEU 24 HA LEU 24 0.155 -3.546 2.130
163 1HB LEU 24 1HB LEU 24 -2.050 -1.627 2.177
164 2HB LEU 24 2HB LEU 24 -2.616 -3.189 2.741
165 HG LEU 24 HG LEU 24 -0.178 -1.762 3.811
166 1HD1 LEU 24 1HD1 LEU 24 -2.940 -2.054 5.082
167 2HD1 LEU 24 2HD1 LEU 24 -1.552 -1.137 5.721
168 3HD1 LEU 24 3HD1 LEU 24 -2.376 -0.593 4.249
169 1HD2 LEU 24 1HD2 LEU 24 -1.621 -3.946 5.318
170 2HD2 LEU 24 2HD2 LEU 24 -0.481 -4.411 4.057
171 3HD2 LEU 24 3HD2 LEU 24 0.077 -3.413 5.415
172 H ARG 25 H ARG 25 -2.729 -3.485 -0.016
173 HA ARG 25 HA ARG 25 -3.368 -6.286 0.258
174 1HB ARG 25 1HB ARG 25 -3.913 -4.180 -1.856
175 2HB ARG 25 2HB ARG 25 -4.130 -5.878 -2.259
176 1HG ARG 25 1HG ARG 25 -5.488 -5.831 0.115
177 2HG ARG 25 2HG ARG 25 -5.706 -4.155 -0.396
178 1HD ARG 25 1HD ARG 25 -6.199 -5.729 -2.738
179 2HD ARG 25 2HD ARG 25 -6.870 -6.677 -1.425
180 HE ARG 25 HE ARG 25 -8.538 -5.104 -1.134
181 1HH1 ARG 25 2HH2 ARG 25 -6.152 -3.740 -3.304
182 2HH1 ARG 25 1HH2 ARG 25 -7.140 -2.384 -3.758
183 1HH2 ARG 25 2HH1 ARG 25 -9.809 -3.364 -1.752
184 2HH2 ARG 25 1HH1 ARG 25 -9.187 -2.166 -2.846
185 H HIS 26 H HIS 26 -1.051 -4.651 -1.889
186 HA HIS 26 HA HIS 26 -0.325 -7.129 -3.195
187 1HB HIS 26 1HB HIS 26 0.051 -4.522 -3.822
188 2HB HIS 26 2HB HIS 26 1.631 -4.861 -3.106
189 HD1 HIS 26 1HD HIS 26 3.204 -5.258 -5.183
190 HE1 HIS 26 1HE HIS 26 0.697 -7.758 -7.547
191 H TYR 27 H TYR 27 0.826 -5.483 -0.301
192 HA TYR 27 HA TYR 27 3.091 -7.061 0.276
193 1HB TYR 27 1HB TYR 27 1.858 -4.837 1.376
194 2HB TYR 27 2HB TYR 27 1.631 -6.026 2.631
195 HD1 TYR 27 1HD TYR 27 4.057 -7.601 2.721
196 HD2 TYR 27 2HD TYR 27 3.600 -3.409 1.803
197 HE1 TYR 27 1HE TYR 27 6.460 -7.221 3.251
198 HE2 TYR 27 2HE TYR 27 5.990 -3.042 2.324
199 HH TYR 27 HH TYR 27 7.759 -3.983 3.382
200 H LEU 28 H LEU 28 -0.315 -7.468 1.157
201 HA LEU 28 HA LEU 28 -0.180 -9.709 2.878
202 1HB LEU 28 1HB LEU 28 -2.253 -8.665 2.705
203 2HB LEU 28 2HB LEU 28 -2.204 -8.570 0.962
204 HG LEU 28 HG LEU 28 -2.616 -11.057 0.831
205 1HD1 LEU 28 1HD1 LEU 28 -2.415 -10.806 3.777
206 2HD1 LEU 28 2HD1 LEU 28 -3.842 -11.699 3.216
207 3HD1 LEU 28 3HD1 LEU 28 -2.231 -12.211 2.713
208 1HD2 LEU 28 1HD2 LEU 28 -4.583 -9.084 1.963
209 2HD2 LEU 28 2HD2 LEU 28 -4.407 -9.742 0.321
210 3HD2 LEU 28 3HD2 LEU 28 -5.061 -10.763 1.603
211 H ASN 29 H ASN 29 -0.547 -9.741 -0.706
212 HA ASN 29 HA ASN 29 -0.024 -12.592 -0.858
213 1HB ASN 29 1HB ASN 29 -0.545 -10.369 -2.803
214 2HB ASN 29 2HB ASN 29 0.330 -11.770 -3.411
215 1HD2 ASN 29 1HD2 ASN 29 -0.775 -13.676 -3.857
216 2HD2 ASN 29 2HD2 ASN 29 -2.515 -13.769 -3.574
217 H LEU 30 H LEU 30 2.118 -10.035 -0.310
218 HA LEU 30 HA LEU 30 4.381 -11.264 -1.717
219 1HB LEU 30 1HB LEU 30 3.745 -8.668 -0.876
220 2HB LEU 30 2HB LEU 30 4.936 -9.135 0.293
221 HG LEU 30 HG LEU 30 5.975 -9.962 -2.244
222 1HD1 LEU 30 1HD1 LEU 30 5.753 -8.162 -3.734
223 2HD1 LEU 30 2HD1 LEU 30 4.108 -8.371 -3.126
224 3HD1 LEU 30 3HD1 LEU 30 5.113 -7.068 -2.487
225 1HD2 LEU 30 1HD2 LEU 30 7.291 -9.123 -0.374
226 2HD2 LEU 30 2HD2 LEU 30 7.625 -8.177 -1.842
227 3HD2 LEU 30 3HD2 LEU 30 6.583 -7.504 -0.566
228 H VAL 31 H VAL 31 3.469 -10.594 1.682
229 HA VAL 31 HA VAL 31 5.533 -12.281 2.841
230 HB VAL 31 HB VAL 31 3.034 -10.939 3.882
231 1HG1 VAL 31 1HG1 VAL 31 4.821 -12.808 5.499
232 2HG1 VAL 31 2HG1 VAL 31 3.681 -11.627 6.194
233 3HG1 VAL 31 3HG1 VAL 31 3.065 -12.963 5.218
234 1HG2 VAL 31 1HG2 VAL 31 4.682 -9.666 5.185
235 2HG2 VAL 31 2HG2 VAL 31 5.992 -10.716 4.608
236 3HG2 VAL 31 3HG2 VAL 31 5.148 -9.645 3.476
237 H THR 32 H THR 32 2.493 -13.049 1.362
238 HA THR 32 HA THR 32 2.191 -15.639 2.594
239 HB THR 32 HB THR 32 0.526 -14.086 1.235
240 HG1 THR 32 1HG THR 32 -0.841 -15.740 1.451
241 1HG2 THR 32 1HG2 THR 32 1.673 -14.795 -1.009
242 2HG2 THR 32 2HG2 THR 32 0.803 -16.316 -0.774
243 3HG2 THR 32 3HG2 THR 32 -0.096 -14.793 -0.887
244 H ARG 33 H ARG 33 4.754 -14.761 0.855
245 HA ARG 33 HA ARG 33 5.419 -17.518 0.162
246 1HB ARG 33 1HB ARG 33 4.071 -16.390 -1.780
247 2HB ARG 33 2HB ARG 33 5.565 -15.520 -2.121
248 1HG ARG 33 1HG ARG 33 6.729 -17.558 -2.624
249 2HG ARG 33 2HG ARG 33 5.512 -18.562 -1.809
250 1HD ARG 33 1HD ARG 33 3.877 -18.165 -3.481
251 2HD ARG 33 2HD ARG 33 4.837 -16.865 -4.225
252 HE ARG 33 HE ARG 33 6.436 -19.163 -4.299
253 1HH1 ARG 33 2HH2 ARG 33 3.387 -18.179 -5.676
254 2HH1 ARG 33 1HH2 ARG 33 3.577 -19.127 -7.132
255 1HH2 ARG 33 2HH1 ARG 33 6.682 -20.371 -6.189
256 2HH2 ARG 33 1HH1 ARG 33 5.449 -20.350 -7.397
257 H GLN 34 H GLN 34 6.509 -15.676 2.051
258 HA GLN 34 HA GLN 34 9.277 -15.467 1.003
259 1HB GLN 34 1HB GLN 34 7.703 -13.250 1.271
260 2HB GLN 34 2HB GLN 34 8.367 -13.327 2.894
261 1HG GLN 34 1HG GLN 34 10.067 -13.440 0.353
262 2HG GLN 34 2HG GLN 34 9.611 -11.925 1.127
263 1HE2 GLN 34 1HE2 GLN 34 12.227 -14.005 0.917
264 2HE2 GLN 34 2HE2 GLN 34 12.851 -13.600 2.523
265 H ARG 35 H ARG 35 10.871 -15.779 2.483
266 HA ARG 35 HA ARG 35 11.894 -17.071 4.044
267 1HB ARG 35 1HB ARG 35 11.475 -14.776 5.010
268 2HB ARG 35 2HB ARG 35 10.156 -15.482 5.953
269 1HG ARG 35 1HG ARG 35 11.682 -16.996 7.070
270 2HG ARG 35 2HG ARG 35 13.015 -16.556 5.990
271 1HD ARG 35 1HD ARG 35 13.172 -14.343 6.860
272 2HD ARG 35 2HD ARG 35 11.638 -14.467 7.722
273 HE ARG 35 HE ARG 35 14.232 -15.368 8.636
274 1HH1 ARG 35 2HH2 ARG 35 10.827 -16.102 8.927
275 2HH1 ARG 35 1HH2 ARG 35 10.992 -16.862 10.486
276 1HH2 ARG 35 2HH1 ARG 35 14.433 -16.378 10.645
277 2HH2 ARG 35 1HH1 ARG 35 13.016 -17.011 11.430
278 H TYR 36 H TYR 36 11.015 -19.039 3.330
279 HA TYR 36 HA TYR 36 8.731 -20.274 4.610
280 1HB TYR 36 1HB TYR 36 9.424 -20.690 2.268
281 2HB TYR 36 2HB TYR 36 10.906 -21.442 2.830
282 HD1 TYR 36 1HD TYR 36 10.820 -23.639 4.041
283 HD2 TYR 36 2HD TYR 36 7.299 -21.849 2.306
284 HE1 TYR 36 1HE TYR 36 9.647 -25.825 4.181
285 HE2 TYR 36 2HE TYR 36 6.129 -24.053 2.435
286 HH TYR 36 HH TYR 36 7.726 -27.009 3.613
287 1HN NH2 37 NH1 NHE 37 9.063 -20.436 6.894
288 2HN NH2 37 NH2 NHE 37 10.430 -21.395 7.504
Start of MODEL 10
1 1H TYR 1 1H TYR 1 19.465 -0.724 8.784
2 2H TYR 1 2H TYR 1 18.546 0.259 7.817
3 3H TYR 1 3H TYR 1 17.899 -0.373 9.183
4 HA TYR 1 HA TYR 1 18.574 -1.805 6.729
5 1HB TYR 1 1HB TYR 1 18.243 -2.830 9.541
6 2HB TYR 1 2HB TYR 1 17.543 -3.760 8.244
7 HD1 TYR 1 1HD TYR 1 18.837 -5.187 6.868
8 HD2 TYR 1 2HD TYR 1 20.809 -2.286 9.399
9 HE1 TYR 1 1HE TYR 1 21.043 -6.213 6.348
10 HE2 TYR 1 2HE TYR 1 22.990 -3.295 8.849
11 HH TYR 1 HH TYR 1 24.090 -4.982 7.728
12 HA PRO 2 HA PRO 2 14.202 -1.219 6.097
13 1HB PRO 2 1HB PRO 2 13.548 -3.427 4.563
14 2HB PRO 2 2HB PRO 2 14.407 -1.994 3.937
15 1HG PRO 2 1HG PRO 2 15.500 -4.695 4.599
16 2HG PRO 2 2HG PRO 2 16.085 -3.492 3.413
17 1HD PRO 2 1HD PRO 2 17.085 -3.999 6.027
18 2HD PRO 2 2HD PRO 2 17.556 -2.645 4.959
19 H ALA 3 H ALA 3 12.180 -1.987 6.817
20 HA ALA 3 HA ALA 3 11.517 -4.450 7.941
21 1HB ALA 3 1HB ALA 3 13.120 -2.753 9.739
22 2HB ALA 3 2HB ALA 3 11.500 -2.970 10.386
23 3HB ALA 3 3HB ALA 3 12.482 -4.388 9.995
24 H LYS 4 H LYS 4 9.455 -4.244 9.119
25 HA LYS 4 HA LYS 4 7.266 -3.670 9.156
26 1HB LYS 4 1HB LYS 4 8.533 -0.911 9.446
27 2HB LYS 4 2HB LYS 4 6.826 -1.073 9.374
28 1HG LYS 4 1HG LYS 4 6.935 -1.323 11.597
29 2HG LYS 4 2HG LYS 4 7.261 -3.002 11.235
30 1HD LYS 4 1HD LYS 4 9.267 -2.866 12.272
31 2HD LYS 4 2HD LYS 4 9.792 -1.648 11.117
32 1HE LYS 4 1HE LYS 4 10.046 -0.590 13.174
33 2HE LYS 4 2HE LYS 4 8.552 0.087 12.517
34 1HZ LYS 4 1HZ LYS 4 8.146 -2.274 14.110
35 2HZ LYS 4 2HZ LYS 4 8.831 -1.056 14.971
36 3HZ LYS 4 3HZ LYS 4 7.382 -0.832 14.204
37 HA PRO 5 HA PRO 5 5.794 -2.943 5.120
38 1HB PRO 5 1HB PRO 5 3.282 -1.760 5.501
39 2HB PRO 5 2HB PRO 5 3.641 -3.498 5.572
40 1HG PRO 5 1HG PRO 5 3.070 -1.648 7.788
41 2HG PRO 5 2HG PRO 5 2.978 -3.430 7.745
42 1HD PRO 5 1HD PRO 5 5.001 -1.819 8.877
43 2HD PRO 5 2HD PRO 5 5.026 -3.596 8.722
44 H GLU 6 H GLU 6 4.943 -1.259 3.574
45 HA GLU 6 HA GLU 6 6.615 1.006 3.606
46 1HB GLU 6 1HB GLU 6 5.378 -0.168 1.660
47 2HB GLU 6 2HB GLU 6 3.998 0.854 2.097
48 1HG GLU 6 1HG GLU 6 4.960 2.723 1.291
49 2HG GLU 6 2HG GLU 6 6.552 2.335 1.860
50 H ALA 7 H ALA 7 6.072 3.277 3.787
51 HA ALA 7 HA ALA 7 3.719 3.903 5.446
52 1HB ALA 7 1HB ALA 7 5.598 3.244 6.971
53 2HB ALA 7 2HB ALA 7 6.575 4.561 6.283
54 3HB ALA 7 3HB ALA 7 5.089 4.925 7.184
55 HA PRO 8 HA PRO 8 4.017 7.557 2.960
56 1HB PRO 8 1HB PRO 8 2.603 9.364 4.447
57 2HB PRO 8 2HB PRO 8 1.866 8.030 3.533
58 1HG PRO 8 1HG PRO 8 2.240 8.236 6.480
59 2HG PRO 8 2HG PRO 8 0.980 7.390 5.535
60 1HD PRO 8 1HD PRO 8 3.292 6.238 6.696
61 2HD PRO 8 2HD PRO 8 2.205 5.464 5.513
62 H GLY 9 H GLY 9 4.848 9.893 3.003
63 1HA GLY 9 1HA GLY 9 6.423 10.775 5.263
64 2HA GLY 9 2HA GLY 9 7.404 10.156 3.914
65 H GLU 10 H GLU 10 7.254 12.911 4.866
66 HA GLU 10 HA GLU 10 7.278 15.023 4.005
67 1HB GLU 10 1HB GLU 10 7.827 13.690 1.750
68 2HB GLU 10 2HB GLU 10 6.221 14.246 1.285
69 1HG GLU 10 1HG GLU 10 7.149 16.597 2.180
70 2HG GLU 10 2HG GLU 10 8.707 15.816 1.940
71 H ASP 11 H ASP 11 5.570 15.172 5.626
72 HA ASP 11 HA ASP 11 3.542 15.774 6.428
73 1HB ASP 11 1HB ASP 11 3.144 16.963 3.655
74 2HB ASP 11 2HB ASP 11 2.228 17.352 5.092
75 H ALA 12 H ALA 12 3.714 13.334 4.422
76 HA ALA 12 HA ALA 12 2.479 11.711 3.478
77 1HB ALA 12 1HB ALA 12 0.718 12.144 5.926
78 2HB ALA 12 2HB ALA 12 0.747 10.693 4.900
79 3HB ALA 12 3HB ALA 12 2.182 11.144 5.862
80 H SER 13 H SER 13 1.998 12.890 1.589
81 HA SER 13 HA SER 13 -0.096 14.799 1.422
82 1HB SER 13 1HB SER 13 0.628 15.098 -0.672
83 2HB SER 13 2HB SER 13 1.945 14.023 -0.224
84 HG SER 13 HG SER 13 0.969 13.356 -2.146
85 HA PRO 14 HA PRO 14 -3.810 12.505 0.959
86 1HB PRO 14 1HB PRO 14 -5.105 13.506 -1.279
87 2HB PRO 14 2HB PRO 14 -5.050 14.299 0.316
88 1HG PRO 14 1HG PRO 14 -3.528 14.972 -2.164
89 2HG PRO 14 2HG PRO 14 -4.039 16.036 -0.827
90 1HD PRO 14 1HD PRO 14 -1.487 14.923 -1.265
91 2HD PRO 14 2HD PRO 14 -2.012 15.724 0.243
92 H GLU 15 H GLU 15 -1.616 12.560 -1.782
93 HA GLU 15 HA GLU 15 -2.795 10.221 -3.084
94 1HB GLU 15 1HB GLU 15 -0.909 12.261 -3.808
95 2HB GLU 15 2HB GLU 15 0.001 10.770 -3.781
96 1HG GLU 15 1HG GLU 15 -0.794 10.256 -5.796
97 2HG GLU 15 2HG GLU 15 -2.407 10.083 -5.133
98 H GLU 16 H GLU 16 -0.410 10.843 -0.569
99 HA GLU 16 HA GLU 16 0.883 8.274 -0.669
100 1HB GLU 16 1HB GLU 16 0.905 10.634 1.044
101 2HB GLU 16 2HB GLU 16 0.772 9.216 2.038
102 1HG GLU 16 1HG GLU 16 3.034 9.203 1.886
103 2HG GLU 16 2HG GLU 16 2.766 8.367 0.375
104 H LEU 17 H LEU 17 -2.153 9.413 0.802
105 HA LEU 17 HA LEU 17 -2.576 7.155 2.458
106 1HB LEU 17 1HB LEU 17 -4.001 9.459 1.879
107 2HB LEU 17 2HB LEU 17 -4.958 8.268 1.034
108 HG LEU 17 HG LEU 17 -4.446 6.981 3.471
109 1HD1 LEU 17 1HD1 LEU 17 -3.738 9.621 4.027
110 2HD1 LEU 17 2HD1 LEU 17 -5.413 9.536 4.579
111 3HD1 LEU 17 3HD1 LEU 17 -4.206 8.394 5.200
112 1HD2 LEU 17 1HD2 LEU 17 -6.589 7.167 2.160
113 2HD2 LEU 17 2HD2 LEU 17 -6.739 7.186 3.919
114 3HD2 LEU 17 3HD2 LEU 17 -6.882 8.705 3.002
115 H SER 18 H SER 18 -3.292 7.603 -1.010
116 HA SER 18 HA SER 18 -4.454 5.015 -1.462
117 1HB SER 18 1HB SER 18 -2.982 6.830 -3.418
118 2HB SER 18 2HB SER 18 -4.040 5.469 -3.821
119 HG SER 18 HG SER 18 -5.317 7.253 -3.889
120 H ARG 19 H ARG 19 -1.125 6.052 -1.073
121 HA ARG 19 HA ARG 19 0.114 3.709 -2.285
122 1HB ARG 19 1HB ARG 19 2.038 4.792 -1.905
123 2HB ARG 19 2HB ARG 19 1.026 6.160 -1.564
124 1HG ARG 19 1HG ARG 19 2.224 6.315 0.317
125 2HG ARG 19 2HG ARG 19 1.203 5.126 1.000
126 1HD ARG 19 1HD ARG 19 2.775 3.584 1.155
127 2HD ARG 19 2HD ARG 19 3.372 3.830 -0.480
128 HE ARG 19 HE ARG 19 4.569 4.853 1.890
129 1HH1 ARG 19 2HH2 ARG 19 3.855 6.040 -1.320
130 2HH1 ARG 19 1HH2 ARG 19 5.075 7.284 -1.249
131 1HH2 ARG 19 2HH1 ARG 19 6.096 6.293 1.942
132 2HH2 ARG 19 1HH1 ARG 19 6.474 7.325 0.554
133 H TYR 20 H TYR 20 -1.128 4.547 0.891
134 HA TYR 20 HA TYR 20 0.124 2.380 2.329
135 1HB TYR 20 1HB TYR 20 -0.660 4.494 3.369
136 2HB TYR 20 2HB TYR 20 -2.324 4.085 2.967
137 HD1 TYR 20 1HD TYR 20 0.563 2.275 4.635
138 HD2 TYR 20 2HD TYR 20 -3.593 3.461 4.804
139 HE1 TYR 20 1HE TYR 20 0.330 1.151 6.828
140 HE2 TYR 20 2HE TYR 20 -3.814 2.332 7.019
141 HH TYR 20 HH TYR 20 -1.104 1.218 8.836
142 H TYR 21 H TYR 21 -3.175 2.921 1.115
143 HA TYR 21 HA TYR 21 -4.185 0.299 1.627
144 1HB TYR 21 1HB TYR 21 -4.996 2.641 -0.098
145 2HB TYR 21 2HB TYR 21 -5.783 1.094 -0.337
146 HD1 TYR 21 1HD TYR 21 -7.125 0.014 1.402
147 HD2 TYR 21 2HD TYR 21 -5.461 3.958 1.962
148 HE1 TYR 21 1HE TYR 21 -8.706 0.415 3.276
149 HE2 TYR 21 2HE TYR 21 -7.077 4.366 3.808
150 HH TYR 21 HH TYR 21 -9.153 3.559 4.700
151 H ALA 22 H ALA 22 -2.582 1.674 -1.329
152 HA ALA 22 HA ALA 22 -2.892 -0.727 -2.869
153 1HB ALA 22 1HB ALA 22 -2.359 1.454 -3.854
154 2HB ALA 22 2HB ALA 22 -0.791 1.480 -3.009
155 3HB ALA 22 3HB ALA 22 -1.110 0.264 -4.268
156 H SER 23 H SER 23 -0.193 0.420 -0.709
157 HA SER 23 HA SER 23 1.422 -1.858 -1.155
158 1HB SER 23 1HB SER 23 2.037 0.347 0.124
159 2HB SER 23 2HB SER 23 1.424 -0.522 1.555
160 HG SER 23 HG SER 23 3.282 -1.646 -0.270
161 H LEU 24 H LEU 24 -1.152 -1.339 1.345
162 HA LEU 24 HA LEU 24 -0.829 -3.639 2.819
163 1HB LEU 24 1HB LEU 24 -2.773 -3.065 3.754
164 2HB LEU 24 2HB LEU 24 -2.677 -1.675 2.721
165 HG LEU 24 HG LEU 24 -4.125 -3.106 1.032
166 1HD1 LEU 24 1HD1 LEU 24 -4.115 -5.278 2.037
167 2HD1 LEU 24 2HD1 LEU 24 -4.558 -4.614 3.627
168 3HD1 LEU 24 3HD1 LEU 24 -5.720 -4.616 2.269
169 1HD2 LEU 24 1HD2 LEU 24 -6.134 -2.509 2.894
170 2HD2 LEU 24 2HD2 LEU 24 -4.842 -1.342 3.224
171 3HD2 LEU 24 3HD2 LEU 24 -5.499 -1.519 1.586
172 H ARG 25 H ARG 25 -2.434 -3.462 -0.328
173 HA ARG 25 HA ARG 25 -3.053 -6.311 -0.499
174 1HB ARG 25 1HB ARG 25 -3.158 -3.927 -2.375
175 2HB ARG 25 2HB ARG 25 -3.163 -5.545 -3.059
176 1HG ARG 25 1HG ARG 25 -5.097 -5.777 -1.055
177 2HG ARG 25 2HG ARG 25 -5.295 -4.108 -1.588
178 1HD ARG 25 1HD ARG 25 -6.714 -5.331 -3.045
179 2HD ARG 25 2HD ARG 25 -5.270 -5.068 -4.009
180 HE ARG 25 HE ARG 25 -4.758 -7.336 -3.917
181 1HH1 ARG 25 2HH2 ARG 25 -7.453 -6.734 -1.790
182 2HH1 ARG 25 1HH2 ARG 25 -7.845 -8.410 -1.560
183 1HH2 ARG 25 2HH1 ARG 25 -5.229 -9.529 -3.575
184 2HH2 ARG 25 1HH1 ARG 25 -6.584 -9.956 -2.573
185 H HIS 26 H HIS 26 -0.468 -4.252 -1.839
186 HA HIS 26 HA HIS 26 0.851 -6.405 -3.193
187 1HB HIS 26 1HB HIS 26 1.156 -3.704 -3.191
188 2HB HIS 26 2HB HIS 26 2.489 -4.128 -2.114
189 HD1 HIS 26 1HD HIS 26 4.550 -3.805 -3.786
190 HE1 HIS 26 1HE HIS 26 3.190 -6.227 -7.011
191 H TYR 27 H TYR 27 0.900 -5.372 0.142
192 HA TYR 27 HA TYR 27 3.030 -7.010 1.086
193 1HB TYR 27 1HB TYR 27 1.397 -5.011 2.156
194 2HB TYR 27 2HB TYR 27 0.847 -6.429 3.002
195 HD1 TYR 27 1HD TYR 27 3.921 -4.532 2.003
196 HD2 TYR 27 2HD TYR 27 2.114 -7.209 4.858
197 HE1 TYR 27 1HE TYR 27 5.960 -4.384 3.430
198 HE2 TYR 27 2HE TYR 27 4.100 -6.976 6.335
199 HH TYR 27 HH TYR 27 7.029 -5.941 5.325
200 H LEU 28 H LEU 28 -0.521 -7.507 0.958
201 HA LEU 28 HA LEU 28 -0.621 -10.088 2.135
202 1HB LEU 28 1HB LEU 28 -2.704 -9.168 1.875
203 2HB LEU 28 2HB LEU 28 -2.320 -8.436 0.334
204 HG LEU 28 HG LEU 28 -2.459 -10.733 -0.733
205 1HD1 LEU 28 1HD1 LEU 28 -4.242 -11.739 1.419
206 2HD1 LEU 28 2HD1 LEU 28 -3.063 -12.594 0.405
207 3HD1 LEU 28 3HD1 LEU 28 -2.525 -11.733 1.857
208 1HD2 LEU 28 1HD2 LEU 28 -4.819 -10.654 -0.955
209 2HD2 LEU 28 2HD2 LEU 28 -4.996 -9.678 0.529
210 3HD2 LEU 28 3HD2 LEU 28 -4.177 -8.995 -0.891
211 H ASN 29 H ASN 29 0.183 -9.177 -1.223
212 HA ASN 29 HA ASN 29 0.491 -11.963 -2.046
213 1HB ASN 29 1HB ASN 29 -0.102 -9.879 -3.500
214 2HB ASN 29 2HB ASN 29 1.639 -9.588 -3.529
215 1HD2 ASN 29 1HD2 ASN 29 -0.911 -12.001 -4.304
216 2HD2 ASN 29 2HD2 ASN 29 0.077 -12.755 -5.563
217 H LEU 30 H LEU 30 2.490 -9.862 -0.245
218 HA LEU 30 HA LEU 30 5.049 -11.142 -0.980
219 1HB LEU 30 1HB LEU 30 5.272 -8.880 -0.689
220 2HB LEU 30 2HB LEU 30 4.135 -8.764 0.589
221 HG LEU 30 HG LEU 30 6.477 -10.350 1.427
222 1HD1 LEU 30 1HD1 LEU 30 8.161 -8.783 1.346
223 2HD1 LEU 30 2HD1 LEU 30 7.463 -8.704 -0.273
224 3HD1 LEU 30 3HD1 LEU 30 7.070 -7.441 0.922
225 1HD2 LEU 30 1HD2 LEU 30 5.202 -9.614 3.219
226 2HD2 LEU 30 2HD2 LEU 30 6.441 -8.360 3.176
227 3HD2 LEU 30 3HD2 LEU 30 4.850 -8.030 2.505
228 H VAL 31 H VAL 31 2.693 -11.078 1.720
229 HA VAL 31 HA VAL 31 4.246 -12.916 3.321
230 HB VAL 31 HB VAL 31 1.271 -12.579 3.736
231 1HG1 VAL 31 1HG1 VAL 31 2.151 -14.027 5.343
232 2HG1 VAL 31 2HG1 VAL 31 3.703 -13.169 5.452
233 3HG1 VAL 31 3HG1 VAL 31 2.240 -12.494 6.194
234 1HG2 VAL 31 1HG2 VAL 31 3.263 -10.367 3.879
235 2HG2 VAL 31 2HG2 VAL 31 1.497 -10.349 3.740
236 3HG2 VAL 31 3HG2 VAL 31 2.255 -10.547 5.305
237 H THR 32 H THR 32 2.616 -13.506 0.519
238 HA THR 32 HA THR 32 2.061 -16.372 1.156
239 HB THR 32 HB THR 32 0.195 -14.771 0.500
240 HG1 THR 32 1HG THR 32 -0.752 -16.476 -0.732
241 1HG2 THR 32 1HG2 THR 32 1.545 -14.053 -1.678
242 2HG2 THR 32 2HG2 THR 32 0.747 -15.467 -2.368
243 3HG2 THR 32 3HG2 THR 32 -0.223 -14.153 -1.660
244 H ARG 33 H ARG 33 4.654 -15.098 0.385
245 HA ARG 33 HA ARG 33 5.479 -17.110 -1.593
246 1HB ARG 33 1HB ARG 33 4.590 -14.725 -2.640
247 2HB ARG 33 2HB ARG 33 6.269 -14.320 -2.373
248 1HG ARG 33 1HG ARG 33 6.343 -15.191 -4.519
249 2HG ARG 33 2HG ARG 33 6.749 -16.634 -3.598
250 1HD ARG 33 1HD ARG 33 3.882 -15.946 -4.399
251 2HD ARG 33 2HD ARG 33 4.952 -16.820 -5.487
252 HE ARG 33 HE ARG 33 3.635 -17.807 -3.074
253 1HH1 ARG 33 2HH2 ARG 33 6.426 -18.346 -5.120
254 2HH1 ARG 33 1HH2 ARG 33 6.557 -20.038 -4.762
255 1HH2 ARG 33 2HH1 ARG 33 3.755 -20.027 -2.681
256 2HH2 ARG 33 1HH1 ARG 33 5.017 -20.987 -3.397
257 H GLN 34 H GLN 34 6.195 -16.781 1.133
258 HA GLN 34 HA GLN 34 9.097 -16.213 0.852
259 1HB GLN 34 1HB GLN 34 7.390 -14.515 2.223
260 2HB GLN 34 2HB GLN 34 7.921 -15.610 3.511
261 1HG GLN 34 1HG GLN 34 10.321 -15.189 2.666
262 2HG GLN 34 2HG GLN 34 9.635 -13.913 1.647
263 1HE2 GLN 34 1HE2 GLN 34 11.642 -13.405 3.646
264 2HE2 GLN 34 2HE2 GLN 34 10.824 -12.457 4.888
265 H ARG 35 H ARG 35 10.472 -17.446 2.063
266 HA ARG 35 HA ARG 35 9.501 -19.523 3.863
267 1HB ARG 35 1HB ARG 35 10.094 -20.123 1.039
268 2HB ARG 35 2HB ARG 35 11.123 -21.058 2.113
269 1HG ARG 35 1HG ARG 35 8.099 -20.905 2.409
270 2HG ARG 35 2HG ARG 35 8.944 -22.172 1.523
271 1HD ARG 35 1HD ARG 35 9.661 -23.240 3.396
272 2HD ARG 35 2HD ARG 35 10.026 -21.735 4.243
273 HE ARG 35 HE ARG 35 7.164 -22.367 3.939
274 1HH1 ARG 35 2HH2 ARG 35 9.911 -22.605 6.091
275 2HH1 ARG 35 1HH2 ARG 35 8.930 -22.741 7.527
276 1HH2 ARG 35 2HH1 ARG 35 5.928 -22.426 5.811
277 2HH2 ARG 35 1HH1 ARG 35 6.693 -22.567 7.351
278 H TYR 36 H TYR 36 10.693 -18.562 5.415
279 HA TYR 36 HA TYR 36 13.368 -17.735 5.346
280 1HB TYR 36 1HB TYR 36 11.540 -17.432 7.140
281 2HB TYR 36 2HB TYR 36 11.966 -19.028 7.721
282 HD1 TYR 36 1HD TYR 36 13.791 -19.254 9.276
283 HD2 TYR 36 2HD TYR 36 13.339 -15.625 6.981
284 HE1 TYR 36 1HE TYR 36 15.551 -18.170 10.650
285 HE2 TYR 36 2HE TYR 36 15.119 -14.545 8.350
286 HH TYR 36 HH TYR 36 16.800 -16.278 10.981
287 1HN NH2 37 NH1 NHE 37 12.169 -20.984 6.474
288 2HN NH2 37 NH2 NHE 37 13.720 -21.762 6.140
Start of MODEL 11
1 1H TYR 1 1H TYR 1 11.998 3.994 11.012
2 2H TYR 1 2H TYR 1 12.039 4.318 12.620
3 3H TYR 1 3H TYR 1 13.333 3.591 11.888
4 HA TYR 1 HA TYR 1 12.074 1.625 11.434
5 1HB TYR 1 1HB TYR 1 12.001 2.603 14.302
6 2HB TYR 1 2HB TYR 1 11.539 0.971 13.833
7 HD1 TYR 1 1HD TYR 1 14.225 2.825 15.106
8 HD2 TYR 1 2HD TYR 1 13.330 -0.251 12.196
9 HE1 TYR 1 1HE TYR 1 16.592 2.055 15.165
10 HE2 TYR 1 2HE TYR 1 15.698 -0.979 12.245
11 HH TYR 1 HH TYR 1 17.814 -0.565 13.078
12 HA PRO 2 HA PRO 2 7.739 3.068 11.187
13 1HB PRO 2 1HB PRO 2 7.222 1.914 8.702
14 2HB PRO 2 2HB PRO 2 7.750 3.592 8.976
15 1HG PRO 2 1HG PRO 2 9.318 1.316 7.906
16 2HG PRO 2 2HG PRO 2 9.586 3.061 7.732
17 1HD PRO 2 1HD PRO 2 10.905 1.259 9.522
18 2HD PRO 2 2HD PRO 2 11.112 3.020 9.420
19 H ALA 3 H ALA 3 5.806 1.579 10.897
20 HA ALA 3 HA ALA 3 6.080 -0.886 12.350
21 1HB ALA 3 1HB ALA 3 3.840 0.234 10.601
22 2HB ALA 3 2HB ALA 3 3.674 -1.132 11.716
23 3HB ALA 3 3HB ALA 3 4.023 0.482 12.348
24 H LYS 4 H LYS 4 5.247 -2.983 11.372
25 HA LYS 4 HA LYS 4 6.775 -4.180 9.417
26 1HB LYS 4 1HB LYS 4 4.010 -4.651 10.491
27 2HB LYS 4 2HB LYS 4 4.423 -5.507 9.021
28 1HG LYS 4 1HG LYS 4 5.835 -6.940 10.050
29 2HG LYS 4 2HG LYS 4 6.583 -5.677 11.006
30 1HD LYS 4 1HD LYS 4 5.692 -6.775 12.716
31 2HD LYS 4 2HD LYS 4 4.278 -5.795 12.398
32 1HE LYS 4 1HE LYS 4 4.499 -8.402 10.902
33 2HE LYS 4 2HE LYS 4 4.355 -8.539 12.652
34 1HZ LYS 4 1HZ LYS 4 2.191 -8.582 11.563
35 2HZ LYS 4 2HZ LYS 4 2.300 -7.344 12.595
36 3HZ LYS 4 3HZ LYS 4 2.415 -7.056 10.973
37 HA PRO 5 HA PRO 5 4.199 -2.813 5.685
38 1HB PRO 5 1HB PRO 5 2.163 -1.013 5.932
39 2HB PRO 5 2HB PRO 5 1.943 -2.776 6.047
40 1HG PRO 5 1HG PRO 5 2.094 -0.756 8.277
41 2HG PRO 5 2HG PRO 5 1.075 -2.227 8.151
42 1HD PRO 5 1HD PRO 5 3.461 -1.946 9.547
43 2HD PRO 5 2HD PRO 5 2.750 -3.512 9.064
44 H GLU 6 H GLU 6 6.014 -1.813 5.069
45 HA GLU 6 HA GLU 6 7.108 0.560 6.064
46 1HB GLU 6 1HB GLU 6 7.945 -1.266 4.247
47 2HB GLU 6 2HB GLU 6 7.357 -0.039 3.130
48 1HG GLU 6 1HG GLU 6 8.786 1.600 4.685
49 2HG GLU 6 2HG GLU 6 9.593 0.107 5.167
50 H ALA 7 H ALA 7 7.145 2.732 5.240
51 HA ALA 7 HA ALA 7 5.280 3.576 3.227
52 1HB ALA 7 1HB ALA 7 3.671 3.387 5.000
53 2HB ALA 7 2HB ALA 7 4.743 4.202 6.160
54 3HB ALA 7 3HB ALA 7 4.027 5.117 4.805
55 HA PRO 8 HA PRO 8 8.617 6.612 3.307
56 1HB PRO 8 1HB PRO 8 7.667 8.345 1.358
57 2HB PRO 8 2HB PRO 8 8.507 6.803 1.040
58 1HG PRO 8 1HG PRO 8 5.593 7.426 0.798
59 2HG PRO 8 2HG PRO 8 6.585 6.212 -0.059
60 1HD PRO 8 1HD PRO 8 4.851 5.761 2.154
61 2HD PRO 8 2HD PRO 8 6.040 4.608 1.474
62 H GLY 9 H GLY 9 8.755 7.947 5.034
63 1HA GLY 9 1HA GLY 9 8.333 9.692 6.499
64 2HA GLY 9 2HA GLY 9 7.347 10.437 5.230
65 H GLU 10 H GLU 10 6.179 11.116 7.287
66 HA GLU 10 HA GLU 10 4.168 9.140 8.197
67 1HB GLU 10 1HB GLU 10 3.364 10.971 9.606
68 2HB GLU 10 2HB GLU 10 5.046 10.589 9.909
69 1HG GLU 10 1HG GLU 10 5.816 12.609 9.265
70 2HG GLU 10 2HG GLU 10 4.771 12.724 7.881
71 H ASP 11 H ASP 11 4.481 11.775 5.901
72 HA ASP 11 HA ASP 11 1.917 11.104 4.676
73 1HB ASP 11 1HB ASP 11 1.033 13.327 4.762
74 2HB ASP 11 2HB ASP 11 1.282 12.720 6.389
75 H ALA 12 H ALA 12 3.692 10.337 3.096
76 HA ALA 12 HA ALA 12 5.130 12.378 1.624
77 1HB ALA 12 1HB ALA 12 5.704 9.873 1.809
78 2HB ALA 12 2HB ALA 12 4.606 9.648 0.446
79 3HB ALA 12 3HB ALA 12 6.020 10.707 0.307
80 H SER 13 H SER 13 2.959 13.580 1.575
81 HA SER 13 HA SER 13 1.654 14.867 0.184
82 1HB SER 13 1HB SER 13 1.801 14.735 -2.140
83 2HB SER 13 2HB SER 13 3.274 13.913 -1.666
84 HG SER 13 HG SER 13 2.246 11.966 -1.775
85 HA PRO 14 HA PRO 14 -2.348 12.922 0.548
86 1HB PRO 14 1HB PRO 14 -3.841 13.612 -1.678
87 2HB PRO 14 2HB PRO 14 -3.487 14.705 -0.309
88 1HG PRO 14 1HG PRO 14 -2.279 14.662 -3.044
89 2HG PRO 14 2HG PRO 14 -2.496 16.039 -1.924
90 1HD PRO 14 1HD PRO 14 -0.178 14.532 -2.410
91 2HD PRO 14 2HD PRO 14 -0.375 15.716 -1.077
92 H GLU 15 H GLU 15 -0.486 12.177 -2.339
93 HA GLU 15 HA GLU 15 -2.075 9.863 -3.101
94 1HB GLU 15 1HB GLU 15 0.131 11.343 -4.209
95 2HB GLU 15 2HB GLU 15 0.696 9.712 -3.945
96 1HG GLU 15 1HG GLU 15 -0.184 9.252 -5.953
97 2HG GLU 15 2HG GLU 15 -1.705 9.135 -5.103
98 H GLU 16 H GLU 16 0.189 10.473 -0.492
99 HA GLU 16 HA GLU 16 1.452 7.947 -0.323
100 1HB GLU 16 1HB GLU 16 1.933 10.062 1.023
101 2HB GLU 16 2HB GLU 16 0.587 9.630 2.038
102 1HG GLU 16 1HG GLU 16 2.236 7.258 1.717
103 2HG GLU 16 2HG GLU 16 3.347 8.579 1.929
104 H LEU 17 H LEU 17 -1.604 9.061 1.225
105 HA LEU 17 HA LEU 17 -2.141 6.593 2.539
106 1HB LEU 17 1HB LEU 17 -4.239 8.521 1.455
107 2HB LEU 17 2HB LEU 17 -4.404 7.368 2.768
108 HG LEU 17 HG LEU 17 -4.234 9.349 3.884
109 1HD1 LEU 17 1HD1 LEU 17 -1.280 8.630 3.833
110 2HD1 LEU 17 2HD1 LEU 17 -2.175 9.408 5.132
111 3HD1 LEU 17 3HD1 LEU 17 -2.501 7.706 4.724
112 1HD2 LEU 17 1HD2 LEU 17 -3.456 10.652 1.751
113 2HD2 LEU 17 2HD2 LEU 17 -3.111 11.282 3.366
114 3HD2 LEU 17 3HD2 LEU 17 -1.830 10.482 2.459
115 H SER 18 H SER 18 -2.771 7.634 -0.737
116 HA SER 18 HA SER 18 -4.324 5.303 -1.592
117 1HB SER 18 1HB SER 18 -2.819 7.314 -3.296
118 2HB SER 18 2HB SER 18 -4.060 6.170 -3.831
119 HG SER 18 HG SER 18 -4.482 8.180 -1.867
120 H ARG 19 H ARG 19 -0.895 6.148 -1.478
121 HA ARG 19 HA ARG 19 0.134 3.851 -2.867
122 1HB ARG 19 1HB ARG 19 2.086 4.899 -2.525
123 2HB ARG 19 2HB ARG 19 1.192 6.184 -1.809
124 1HG ARG 19 1HG ARG 19 2.752 5.928 -0.182
125 2HG ARG 19 2HG ARG 19 1.601 4.818 0.480
126 1HD ARG 19 1HD ARG 19 3.469 3.588 0.675
127 2HD ARG 19 2HD ARG 19 2.891 2.981 -0.875
128 HE ARG 19 HE ARG 19 5.146 4.849 -0.337
129 1HH1 ARG 19 2HH2 ARG 19 3.409 3.157 -2.824
130 2HH1 ARG 19 1HH2 ARG 19 4.578 3.547 -4.073
131 1HH2 ARG 19 2HH1 ARG 19 6.638 5.315 -1.925
132 2HH2 ARG 19 1HH1 ARG 19 6.365 4.751 -3.548
133 H TYR 20 H TYR 20 -0.681 4.469 0.501
134 HA TYR 20 HA TYR 20 0.279 1.952 1.494
135 1HB TYR 20 1HB TYR 20 -0.036 4.149 2.751
136 2HB TYR 20 2HB TYR 20 -1.759 3.799 2.781
137 HD1 TYR 20 1HD TYR 20 1.605 2.517 3.814
138 HD2 TYR 20 2HD TYR 20 -2.666 2.274 4.403
139 HE1 TYR 20 1HE TYR 20 1.978 1.305 5.939
140 HE2 TYR 20 2HE TYR 20 -2.282 1.032 6.538
141 HH TYR 20 HH TYR 20 0.923 0.654 7.898
142 H TYR 21 H TYR 21 -3.036 3.120 0.663
143 HA TYR 21 HA TYR 21 -4.435 0.738 1.285
144 1HB TYR 21 1HB TYR 21 -4.865 2.824 -0.867
145 2HB TYR 21 2HB TYR 21 -6.012 1.525 -0.578
146 HD1 TYR 21 1HD TYR 21 -6.267 1.316 2.337
147 HD2 TYR 21 2HD TYR 21 -5.870 4.808 -0.166
148 HE1 TYR 21 1HE TYR 21 -7.353 2.692 4.083
149 HE2 TYR 21 2HE TYR 21 -6.955 6.189 1.587
150 HH TYR 21 HH TYR 21 -7.792 4.882 4.773
151 H ALA 22 H ALA 22 -2.840 1.573 -1.827
152 HA ALA 22 HA ALA 22 -3.469 -0.940 -3.082
153 1HB ALA 22 1HB ALA 22 -2.820 0.987 -4.400
154 2HB ALA 22 2HB ALA 22 -1.254 1.101 -3.567
155 3HB ALA 22 3HB ALA 22 -1.603 -0.281 -4.633
156 H SER 23 H SER 23 -0.533 0.183 -1.279
157 HA SER 23 HA SER 23 0.814 -2.309 -1.478
158 1HB SER 23 1HB SER 23 1.588 0.127 -0.591
159 2HB SER 23 2HB SER 23 1.339 -0.681 0.966
160 HG SER 23 HG SER 23 2.885 -1.652 -1.222
161 H LEU 24 H LEU 24 -1.603 -1.245 0.915
162 HA LEU 24 HA LEU 24 -1.343 -3.217 2.843
163 1HB LEU 24 1HB LEU 24 -3.457 -1.404 1.872
164 2HB LEU 24 2HB LEU 24 -4.135 -2.854 2.546
165 HG LEU 24 HG LEU 24 -2.067 -1.190 4.026
166 1HD1 LEU 24 1HD1 LEU 24 -3.792 -0.004 5.125
167 2HD1 LEU 24 2HD1 LEU 24 -4.232 0.075 3.423
168 3HD1 LEU 24 3HD1 LEU 24 -5.073 -1.051 4.501
169 1HD2 LEU 24 1HD2 LEU 24 -2.980 -2.358 6.000
170 2HD2 LEU 24 2HD2 LEU 24 -4.177 -3.193 4.984
171 3HD2 LEU 24 3HD2 LEU 24 -2.450 -3.550 4.802
172 H ARG 25 H ARG 25 -3.279 -3.427 -0.149
173 HA ARG 25 HA ARG 25 -3.820 -6.265 0.293
174 1HB ARG 25 1HB ARG 25 -5.288 -4.577 -1.000
175 2HB ARG 25 2HB ARG 25 -4.178 -4.806 -2.350
176 1HG ARG 25 1HG ARG 25 -4.995 -6.912 -2.821
177 2HG ARG 25 2HG ARG 25 -5.048 -7.367 -1.122
178 1HD ARG 25 1HD ARG 25 -7.274 -7.422 -1.637
179 2HD ARG 25 2HD ARG 25 -7.110 -5.819 -0.921
180 HE ARG 25 HE ARG 25 -6.830 -5.991 -3.855
181 1HH1 ARG 25 2HH2 ARG 25 -9.112 -5.380 -1.269
182 2HH1 ARG 25 1HH2 ARG 25 -10.286 -4.642 -2.310
183 1HH2 ARG 25 2HH1 ARG 25 -8.409 -5.166 -5.195
184 2HH2 ARG 25 1HH1 ARG 25 -9.880 -4.536 -4.516
185 H HIS 26 H HIS 26 -1.350 -4.425 -1.431
186 HA HIS 26 HA HIS 26 -0.267 -6.732 -2.796
187 1HB HIS 26 1HB HIS 26 0.091 -4.053 -3.066
188 2HB HIS 26 2HB HIS 26 1.549 -4.453 -2.167
189 HD1 HIS 26 1HD HIS 26 3.437 -4.585 -4.009
190 HE1 HIS 26 1HE HIS 26 1.334 -6.665 -7.071
191 H TYR 27 H TYR 27 0.130 -5.476 0.438
192 HA TYR 27 HA TYR 27 2.447 -6.646 1.319
193 1HB TYR 27 1HB TYR 27 0.622 -5.071 2.448
194 2HB TYR 27 2HB TYR 27 0.012 -6.573 3.102
195 HD1 TYR 27 1HD TYR 27 1.017 -7.421 5.076
196 HD2 TYR 27 2HD TYR 27 3.121 -4.524 2.678
197 HE1 TYR 27 1HE TYR 27 2.841 -7.355 6.766
198 HE2 TYR 27 2HE TYR 27 4.980 -4.487 4.344
199 HH TYR 27 HH TYR 27 4.984 -6.664 7.176
200 H LEU 28 H LEU 28 -0.749 -8.099 1.109
201 HA LEU 28 HA LEU 28 -0.245 -10.710 2.134
202 1HB LEU 28 1HB LEU 28 -2.483 -10.180 1.859
203 2HB LEU 28 2HB LEU 28 -2.229 -9.372 0.335
204 HG LEU 28 HG LEU 28 -1.911 -11.588 -0.794
205 1HD1 LEU 28 1HD1 LEU 28 -3.108 -13.487 0.657
206 2HD1 LEU 28 2HD1 LEU 28 -1.360 -13.221 0.736
207 3HD1 LEU 28 3HD1 LEU 28 -2.415 -12.568 2.010
208 1HD2 LEU 28 1HD2 LEU 28 -4.040 -10.290 -0.759
209 2HD2 LEU 28 2HD2 LEU 28 -4.219 -12.038 -0.986
210 3HD2 LEU 28 3HD2 LEU 28 -4.582 -11.308 0.601
211 H ASN 29 H ASN 29 0.174 -9.365 -1.178
212 HA ASN 29 HA ASN 29 1.234 -11.870 -2.218
213 1HB ASN 29 1HB ASN 29 0.894 -9.079 -3.332
214 2HB ASN 29 2HB ASN 29 1.962 -10.231 -4.135
215 1HD2 ASN 29 1HD2 ASN 29 -1.017 -9.084 -4.606
216 2HD2 ASN 29 2HD2 ASN 29 -1.734 -10.612 -5.139
217 H LEU 30 H LEU 30 2.595 -9.470 -0.242
218 HA LEU 30 HA LEU 30 5.337 -9.749 -1.235
219 1HB LEU 30 1HB LEU 30 3.850 -7.833 0.246
220 2HB LEU 30 2HB LEU 30 4.988 -8.466 1.400
221 HG LEU 30 HG LEU 30 6.466 -7.968 -1.030
222 1HD1 LEU 30 1HD1 LEU 30 4.482 -6.590 -1.696
223 2HD1 LEU 30 2HD1 LEU 30 4.745 -5.581 -0.256
224 3HD1 LEU 30 3HD1 LEU 30 5.984 -5.662 -1.532
225 1HD2 LEU 30 1HD2 LEU 30 7.548 -7.730 1.047
226 2HD2 LEU 30 2HD2 LEU 30 7.433 -6.080 0.418
227 3HD2 LEU 30 3HD2 LEU 30 6.316 -6.620 1.683
228 H VAL 31 H VAL 31 3.685 -10.410 1.881
229 HA VAL 31 HA VAL 31 5.764 -12.106 2.947
230 HB VAL 31 HB VAL 31 2.834 -11.707 3.603
231 1HG1 VAL 31 1HG1 VAL 31 4.736 -13.641 4.989
232 2HG1 VAL 31 2HG1 VAL 31 3.236 -13.025 5.716
233 3HG1 VAL 31 3HG1 VAL 31 3.160 -14.016 4.255
234 1HG2 VAL 31 1HG2 VAL 31 5.373 -11.179 5.214
235 2HG2 VAL 31 2HG2 VAL 31 4.580 -9.966 4.197
236 3HG2 VAL 31 3HG2 VAL 31 3.725 -10.637 5.592
237 H THR 32 H THR 32 3.263 -12.759 0.603
238 HA THR 32 HA THR 32 3.744 -15.666 0.755
239 HB THR 32 HB THR 32 1.509 -14.311 0.278
240 HG1 THR 32 1HG THR 32 1.935 -16.533 0.604
241 1HG2 THR 32 1HG2 THR 32 2.484 -13.562 -2.047
242 2HG2 THR 32 2HG2 THR 32 2.069 -15.213 -2.541
243 3HG2 THR 32 3HG2 THR 32 0.803 -14.136 -1.918
244 H ARG 33 H ARG 33 5.621 -13.296 -0.468
245 HA ARG 33 HA ARG 33 6.908 -15.140 -2.372
246 1HB ARG 33 1HB ARG 33 5.181 -13.831 -3.652
247 2HB ARG 33 2HB ARG 33 6.034 -12.351 -3.219
248 1HG ARG 33 1HG ARG 33 7.911 -14.293 -4.349
249 2HG ARG 33 2HG ARG 33 6.523 -14.140 -5.424
250 1HD ARG 33 1HD ARG 33 6.886 -11.839 -5.797
251 2HD ARG 33 2HD ARG 33 7.856 -11.653 -4.334
252 HE ARG 33 HE ARG 33 9.073 -13.448 -6.274
253 1HH1 ARG 33 2HH2 ARG 33 8.808 -10.111 -5.375
254 2HH1 ARG 33 1HH2 ARG 33 10.419 -9.690 -5.914
255 1HH2 ARG 33 2HH1 ARG 33 11.038 -12.857 -7.225
256 2HH2 ARG 33 1HH1 ARG 33 11.576 -11.212 -7.084
257 H GLN 34 H GLN 34 7.789 -14.441 0.150
258 HA GLN 34 HA GLN 34 10.017 -12.511 -0.336
259 1HB GLN 34 1HB GLN 34 8.601 -11.971 1.572
260 2HB GLN 34 2HB GLN 34 8.880 -13.564 2.266
261 1HG GLN 34 1HG GLN 34 10.740 -12.812 3.281
262 2HG GLN 34 2HG GLN 34 11.480 -12.481 1.730
263 1HE2 GLN 34 1HE2 GLN 34 11.889 -10.971 4.233
264 2HE2 GLN 34 2HE2 GLN 34 11.407 -9.336 3.733
265 H ARG 35 H ARG 35 11.967 -13.251 -0.643
266 HA ARG 35 HA ARG 35 12.685 -16.080 -0.219
267 1HB ARG 35 1HB ARG 35 13.628 -13.842 -1.871
268 2HB ARG 35 2HB ARG 35 14.970 -14.505 -0.983
269 1HG ARG 35 1HG ARG 35 13.233 -16.587 -2.251
270 2HG ARG 35 2HG ARG 35 13.950 -15.446 -3.380
271 1HD ARG 35 1HD ARG 35 16.202 -15.889 -2.286
272 2HD ARG 35 2HD ARG 35 15.422 -17.216 -1.404
273 HE ARG 35 HE ARG 35 14.871 -17.467 -4.188
274 1HH1 ARG 35 2HH2 ARG 35 17.654 -17.792 -2.080
275 2HH1 ARG 35 1HH2 ARG 35 18.448 -18.930 -3.129
276 1HH2 ARG 35 2HH1 ARG 35 15.995 -18.834 -5.572
277 2HH2 ARG 35 1HH1 ARG 35 17.549 -19.445 -5.110
278 H TYR 36 H TYR 36 14.839 -16.481 0.743
279 HA TYR 36 HA TYR 36 14.937 -16.235 3.423
280 1HB TYR 36 1HB TYR 36 16.471 -17.410 1.501
281 2HB TYR 36 2HB TYR 36 17.609 -16.217 2.087
282 HD1 TYR 36 1HD TYR 36 17.197 -16.150 5.009
283 HD2 TYR 36 2HD TYR 36 17.054 -19.496 2.282
284 HE1 TYR 36 1HE TYR 36 17.781 -17.711 6.867
285 HE2 TYR 36 2HE TYR 36 17.654 -21.029 4.129
286 HH TYR 36 HH TYR 36 18.213 -21.210 6.333
287 1HN NH2 37 NH1 NHE 37 14.932 -14.461 4.780
288 2HN NH2 37 NH2 NHE 37 15.894 -13.023 4.443
Start of MODEL 12
1 1H TYR 1 1H TYR 1 15.018 -7.136 11.009
2 2H TYR 1 2H TYR 1 15.424 -7.971 12.366
3 3H TYR 1 3H TYR 1 15.895 -8.524 10.886
4 HA TYR 1 HA TYR 1 13.886 -9.372 10.338
5 1HB TYR 1 1HB TYR 1 14.327 -9.501 13.313
6 2HB TYR 1 2HB TYR 1 12.802 -10.077 12.681
7 HD1 TYR 1 1HD TYR 1 12.585 -12.315 12.345
8 HD2 TYR 1 2HD TYR 1 16.500 -10.535 11.826
9 HE1 TYR 1 1HE TYR 1 13.562 -14.549 11.867
10 HE2 TYR 1 2HE TYR 1 17.434 -12.761 11.309
11 HH TYR 1 HH TYR 1 16.984 -15.018 11.017
12 HA PRO 2 HA PRO 2 11.070 -5.784 10.961
13 1HB PRO 2 1HB PRO 2 10.735 -5.053 8.333
14 2HB PRO 2 2HB PRO 2 12.043 -4.438 9.380
15 1HG PRO 2 1HG PRO 2 12.200 -6.480 7.194
16 2HG PRO 2 2HG PRO 2 13.434 -5.323 7.764
17 1HD PRO 2 1HD PRO 2 13.218 -8.084 8.446
18 2HD PRO 2 2HD PRO 2 14.294 -6.862 9.195
19 H ALA 3 H ALA 3 8.828 -5.757 10.519
20 HA ALA 3 HA ALA 3 7.522 -7.634 8.753
21 1HB ALA 3 1HB ALA 3 8.322 -8.745 11.208
22 2HB ALA 3 2HB ALA 3 6.625 -8.364 11.473
23 3HB ALA 3 3HB ALA 3 7.100 -9.370 10.102
24 H LYS 4 H LYS 4 7.039 -5.246 8.279
25 HA LYS 4 HA LYS 4 4.434 -4.596 9.312
26 1HB LYS 4 1HB LYS 4 5.085 -2.255 10.079
27 2HB LYS 4 2HB LYS 4 5.553 -3.593 11.113
28 1HG LYS 4 1HG LYS 4 7.409 -2.230 11.180
29 2HG LYS 4 2HG LYS 4 7.890 -3.459 10.050
30 1HD LYS 4 1HD LYS 4 8.522 -1.815 8.690
31 2HD LYS 4 2HD LYS 4 6.824 -1.478 8.358
32 1HE LYS 4 1HE LYS 4 6.665 0.261 9.871
33 2HE LYS 4 2HE LYS 4 8.090 -0.256 10.789
34 1HZ LYS 4 1HZ LYS 4 8.257 0.712 8.003
35 2HZ LYS 4 2HZ LYS 4 8.459 1.698 9.305
36 3HZ LYS 4 3HZ LYS 4 9.493 0.437 9.042
37 HA PRO 5 HA PRO 5 4.238 -2.934 5.212
38 1HB PRO 5 1HB PRO 5 2.029 -1.299 5.376
39 2HB PRO 5 2HB PRO 5 1.965 -3.084 5.321
40 1HG PRO 5 1HG PRO 5 1.678 -1.280 7.707
41 2HG PRO 5 2HG PRO 5 0.840 -2.818 7.349
42 1HD PRO 5 1HD PRO 5 3.028 -2.473 9.047
43 2HD PRO 5 2HD PRO 5 2.543 -4.035 8.318
44 H GLU 6 H GLU 6 6.025 -1.718 4.817
45 HA GLU 6 HA GLU 6 6.725 0.665 6.190
46 1HB GLU 6 1HB GLU 6 8.183 -0.892 4.637
47 2HB GLU 6 2HB GLU 6 7.616 0.167 3.336
48 1HG GLU 6 1HG GLU 6 8.541 2.132 4.544
49 2HG GLU 6 2HG GLU 6 8.996 1.107 5.897
50 H ALA 7 H ALA 7 6.633 2.900 5.549
51 HA ALA 7 HA ALA 7 5.018 3.647 3.283
52 1HB ALA 7 1HB ALA 7 3.129 4.419 4.338
53 2HB ALA 7 2HB ALA 7 3.523 3.158 5.509
54 3HB ALA 7 3HB ALA 7 3.983 4.833 5.838
55 HA PRO 8 HA PRO 8 7.898 7.064 3.995
56 1HB PRO 8 1HB PRO 8 7.084 8.832 2.075
57 2HB PRO 8 2HB PRO 8 7.968 7.329 1.723
58 1HG PRO 8 1HG PRO 8 5.047 7.889 1.373
59 2HG PRO 8 2HG PRO 8 6.124 6.859 0.402
60 1HD PRO 8 1HD PRO 8 4.333 6.013 2.443
61 2HD PRO 8 2HD PRO 8 5.642 5.029 1.716
62 H GLY 9 H GLY 9 6.729 7.099 6.085
63 1HA GLY 9 1HA GLY 9 4.646 8.763 6.899
64 2HA GLY 9 2HA GLY 9 6.108 8.464 7.861
65 H GLU 10 H GLU 10 4.603 10.838 7.846
66 HA GLU 10 HA GLU 10 5.133 13.121 8.114
67 1HB GLU 10 1HB GLU 10 7.548 12.619 7.293
68 2HB GLU 10 2HB GLU 10 6.935 13.107 5.702
69 1HG GLU 10 1HG GLU 10 6.438 15.364 6.772
70 2HG GLU 10 2HG GLU 10 7.154 14.753 8.258
71 H ASP 11 H ASP 11 3.557 11.252 5.953
72 HA ASP 11 HA ASP 11 1.871 11.468 4.526
73 1HB ASP 11 1HB ASP 11 1.582 14.169 5.787
74 2HB ASP 11 2HB ASP 11 0.593 13.639 4.432
75 H ALA 12 H ALA 12 3.473 10.975 2.979
76 HA ALA 12 HA ALA 12 4.784 13.037 1.437
77 1HB ALA 12 1HB ALA 12 4.514 10.209 0.417
78 2HB ALA 12 2HB ALA 12 5.860 11.341 0.284
79 3HB ALA 12 3HB ALA 12 5.509 10.573 1.844
80 H SER 13 H SER 13 2.326 13.843 1.321
81 HA SER 13 HA SER 13 1.016 15.020 -0.155
82 1HB SER 13 1HB SER 13 1.225 14.963 -2.395
83 2HB SER 13 2HB SER 13 2.661 14.031 -2.057
84 HG SER 13 HG SER 13 1.716 12.587 -3.253
85 HA PRO 14 HA PRO 14 -2.769 12.731 0.353
86 1HB PRO 14 1HB PRO 14 -4.406 13.295 -1.797
87 2HB PRO 14 2HB PRO 14 -4.088 14.416 -0.442
88 1HG PRO 14 1HG PRO 14 -2.949 14.447 -3.214
89 2HG PRO 14 2HG PRO 14 -3.320 15.821 -2.130
90 1HD PRO 14 1HD PRO 14 -0.829 14.678 -2.602
91 2HD PRO 14 2HD PRO 14 -1.200 15.734 -1.215
92 H GLU 15 H GLU 15 -0.828 12.115 -2.473
93 HA GLU 15 HA GLU 15 -2.211 9.632 -3.166
94 1HB GLU 15 1HB GLU 15 -0.477 11.322 -4.522
95 2HB GLU 15 2HB GLU 15 0.579 9.997 -4.140
96 1HG GLU 15 1HG GLU 15 -2.146 9.329 -5.300
97 2HG GLU 15 2HG GLU 15 -1.058 10.214 -6.331
98 H GLU 16 H GLU 16 -0.042 10.579 -0.619
99 HA GLU 16 HA GLU 16 1.455 8.163 -0.415
100 1HB GLU 16 1HB GLU 16 1.804 10.354 0.843
101 2HB GLU 16 2HB GLU 16 0.544 9.835 1.955
102 1HG GLU 16 1HG GLU 16 2.425 7.634 1.559
103 2HG GLU 16 2HG GLU 16 3.326 9.105 1.851
104 H LEU 17 H LEU 17 -1.686 9.097 1.065
105 HA LEU 17 HA LEU 17 -1.973 6.644 2.498
106 1HB LEU 17 1HB LEU 17 -4.286 8.345 1.510
107 2HB LEU 17 2HB LEU 17 -4.234 7.260 2.887
108 HG LEU 17 HG LEU 17 -4.172 9.319 3.874
109 1HD1 LEU 17 1HD1 LEU 17 -2.229 7.910 4.673
110 2HD1 LEU 17 2HD1 LEU 17 -1.167 8.887 3.652
111 3HD1 LEU 17 3HD1 LEU 17 -2.061 9.658 4.961
112 1HD2 LEU 17 1HD2 LEU 17 -3.676 10.535 1.610
113 2HD2 LEU 17 2HD2 LEU 17 -3.298 11.304 3.156
114 3HD2 LEU 17 3HD2 LEU 17 -2.000 10.580 2.210
115 H SER 18 H SER 18 -2.980 7.529 -0.834
116 HA SER 18 HA SER 18 -4.235 4.970 -1.364
117 1HB SER 18 1HB SER 18 -4.110 5.659 -3.745
118 2HB SER 18 2HB SER 18 -4.929 6.825 -2.687
119 HG SER 18 HG SER 18 -3.155 7.514 -4.292
120 H ARG 19 H ARG 19 -0.875 6.169 -1.576
121 HA ARG 19 HA ARG 19 0.233 3.862 -2.835
122 1HB ARG 19 1HB ARG 19 2.169 4.931 -2.554
123 2HB ARG 19 2HB ARG 19 1.256 6.232 -1.892
124 1HG ARG 19 1HG ARG 19 2.780 6.108 -0.235
125 2HG ARG 19 2HG ARG 19 1.716 4.924 0.447
126 1HD ARG 19 1HD ARG 19 3.628 3.786 0.630
127 2HD ARG 19 2HD ARG 19 3.139 3.191 -0.952
128 HE ARG 19 HE ARG 19 5.233 5.206 -0.293
129 1HH1 ARG 19 2HH2 ARG 19 3.755 3.368 -2.850
130 2HH1 ARG 19 1HH2 ARG 19 5.046 3.694 -3.984
131 1HH2 ARG 19 2HH1 ARG 19 6.796 5.736 -1.783
132 2HH2 ARG 19 1HH1 ARG 19 6.744 5.095 -3.389
133 H TYR 20 H TYR 20 -0.606 4.484 0.523
134 HA TYR 20 HA TYR 20 0.575 2.079 1.576
135 1HB TYR 20 1HB TYR 20 0.140 4.194 2.851
136 2HB TYR 20 2HB TYR 20 -1.579 3.856 2.787
137 HD1 TYR 20 1HD TYR 20 -2.540 2.786 4.628
138 HD2 TYR 20 2HD TYR 20 1.658 2.177 3.811
139 HE1 TYR 20 1HE TYR 20 -2.299 1.551 6.769
140 HE2 TYR 20 2HE TYR 20 1.894 0.957 5.963
141 HH TYR 20 HH TYR 20 -0.773 0.750 8.287
142 H TYR 21 H TYR 21 -2.892 2.962 1.065
143 HA TYR 21 HA TYR 21 -3.997 0.437 1.654
144 1HB TYR 21 1HB TYR 21 -4.873 2.543 -0.345
145 2HB TYR 21 2HB TYR 21 -5.865 1.169 0.133
146 HD1 TYR 21 1HD TYR 21 -5.698 0.888 2.979
147 HD2 TYR 21 2HD TYR 21 -5.709 4.514 0.624
148 HE1 TYR 21 1HE TYR 21 -6.608 2.157 4.910
149 HE2 TYR 21 2HE TYR 21 -6.669 5.750 2.545
150 HH TYR 21 HH TYR 21 -7.890 5.365 4.624
151 H ALA 22 H ALA 22 -2.591 1.489 -1.451
152 HA ALA 22 HA ALA 22 -3.238 -0.944 -2.854
153 1HB ALA 22 1HB ALA 22 -0.916 0.937 -3.429
154 2HB ALA 22 2HB ALA 22 -1.841 -0.068 -4.569
155 3HB ALA 22 3HB ALA 22 -2.596 1.351 -3.821
156 H SER 23 H SER 23 -0.262 0.179 -1.130
157 HA SER 23 HA SER 23 1.264 -2.174 -1.543
158 1HB SER 23 1HB SER 23 1.794 0.239 -0.338
159 2HB SER 23 2HB SER 23 1.686 -0.823 1.069
160 HG SER 23 HG SER 23 3.494 -0.801 -1.045
161 H LEU 24 H LEU 24 -1.006 -1.363 1.109
162 HA LEU 24 HA LEU 24 -0.704 -3.646 2.728
163 1HB LEU 24 1HB LEU 24 -3.143 -1.966 2.088
164 2HB LEU 24 2HB LEU 24 -3.138 -3.202 3.341
165 HG LEU 24 HG LEU 24 -1.134 -0.930 3.426
166 1HD1 LEU 24 1HD1 LEU 24 -2.962 0.418 3.553
167 2HD1 LEU 24 2HD1 LEU 24 -4.083 -0.899 3.942
168 3HD1 LEU 24 3HD1 LEU 24 -3.081 -0.180 5.201
169 1HD2 LEU 24 1HD2 LEU 24 -0.842 -1.462 5.660
170 2HD2 LEU 24 2HD2 LEU 24 -2.361 -2.389 5.768
171 3HD2 LEU 24 3HD2 LEU 24 -0.961 -3.058 4.907
172 H ARG 25 H ARG 25 -2.909 -3.222 -0.100
173 HA ARG 25 HA ARG 25 -3.931 -5.953 0.119
174 1HB ARG 25 1HB ARG 25 -4.676 -3.778 -1.496
175 2HB ARG 25 2HB ARG 25 -3.831 -4.783 -2.631
176 1HG ARG 25 1HG ARG 25 -6.102 -5.512 -2.723
177 2HG ARG 25 2HG ARG 25 -5.219 -6.760 -1.850
178 1HD ARG 25 1HD ARG 25 -7.212 -6.496 -0.633
179 2HD ARG 25 2HD ARG 25 -6.039 -5.621 0.333
180 HE ARG 25 HE ARG 25 -8.262 -4.522 -1.285
181 1HH1 ARG 25 2HH2 ARG 25 -5.464 -3.682 0.602
182 2HH1 ARG 25 1HH2 ARG 25 -5.702 -1.974 0.430
183 1HH2 ARG 25 2HH1 ARG 25 -8.789 -2.370 -1.183
184 2HH2 ARG 25 1HH1 ARG 25 -7.766 -1.271 -0.303
185 H HIS 26 H HIS 26 -1.278 -4.491 -1.741
186 HA HIS 26 HA HIS 26 -0.528 -6.978 -2.962
187 1HB HIS 26 1HB HIS 26 0.171 -4.357 -3.341
188 2HB HIS 26 2HB HIS 26 1.594 -4.932 -2.481
189 HD1 HIS 26 1HD HIS 26 3.332 -5.234 -4.432
190 HE1 HIS 26 1HE HIS 26 0.951 -7.403 -7.214
191 H TYR 27 H TYR 27 0.253 -5.584 0.168
192 HA TYR 27 HA TYR 27 2.331 -7.119 1.076
193 1HB TYR 27 1HB TYR 27 0.699 -5.225 2.145
194 2HB TYR 27 2HB TYR 27 0.085 -6.617 2.999
195 HD1 TYR 27 1HD TYR 27 0.943 -6.612 5.195
196 HD2 TYR 27 2HD TYR 27 3.456 -5.291 1.953
197 HE1 TYR 27 1HE TYR 27 2.895 -6.493 6.749
198 HE2 TYR 27 2HE TYR 27 5.420 -5.235 3.497
199 HH TYR 27 HH TYR 27 5.645 -6.928 6.064
200 H LEU 28 H LEU 28 -1.090 -8.048 1.007
201 HA LEU 28 HA LEU 28 -0.901 -10.631 2.217
202 1HB LEU 28 1HB LEU 28 -3.022 -9.721 2.116
203 2HB LEU 28 2HB LEU 28 -2.836 -9.144 0.476
204 HG LEU 28 HG LEU 28 -3.078 -11.455 -0.390
205 1HD1 LEU 28 1HD1 LEU 28 -3.324 -13.302 0.888
206 2HD1 LEU 28 2HD1 LEU 28 -2.589 -12.352 2.189
207 3HD1 LEU 28 3HD1 LEU 28 -4.356 -12.492 2.087
208 1HD2 LEU 28 1HD2 LEU 28 -5.495 -11.577 -0.034
209 2HD2 LEU 28 2HD2 LEU 28 -5.369 -10.452 1.335
210 3HD2 LEU 28 3HD2 LEU 28 -4.966 -9.902 -0.311
211 H ASN 29 H ASN 29 0.376 -9.613 -0.812
212 HA ASN 29 HA ASN 29 0.939 -12.441 -1.573
213 1HB ASN 29 1HB ASN 29 -0.007 -10.081 -3.207
214 2HB ASN 29 2HB ASN 29 1.016 -11.296 -3.963
215 1HD2 ASN 29 1HD2 ASN 29 0.203 -13.352 -4.420
216 2HD2 ASN 29 2HD2 ASN 29 -1.520 -13.705 -4.162
217 H LEU 30 H LEU 30 2.376 -9.787 -0.319
218 HA LEU 30 HA LEU 30 5.002 -10.210 -1.710
219 1HB LEU 30 1HB LEU 30 4.210 -8.088 -2.248
220 2HB LEU 30 2HB LEU 30 3.585 -7.776 -0.657
221 HG LEU 30 HG LEU 30 6.478 -8.075 -0.437
222 1HD1 LEU 30 1HD1 LEU 30 5.499 -6.195 -2.600
223 2HD1 LEU 30 2HD1 LEU 30 6.972 -5.889 -1.667
224 3HD1 LEU 30 3HD1 LEU 30 6.843 -7.359 -2.634
225 1HD2 LEU 30 1HD2 LEU 30 6.262 -5.867 0.594
226 2HD2 LEU 30 2HD2 LEU 30 4.616 -5.706 -0.059
227 3HD2 LEU 30 3HD2 LEU 30 4.984 -6.953 1.161
228 H VAL 31 H VAL 31 3.432 -9.932 1.493
229 HA VAL 31 HA VAL 31 5.775 -10.144 3.115
230 HB VAL 31 HB VAL 31 2.852 -10.792 3.416
231 1HG1 VAL 31 1HG1 VAL 31 3.724 -12.530 4.794
232 2HG1 VAL 31 2HG1 VAL 31 4.885 -11.414 5.567
233 3HG1 VAL 31 3HG1 VAL 31 3.136 -11.221 5.826
234 1HG2 VAL 31 1HG2 VAL 31 2.763 -8.745 4.275
235 2HG2 VAL 31 2HG2 VAL 31 4.094 -9.038 5.405
236 3HG2 VAL 31 3HG2 VAL 31 4.430 -8.479 3.758
237 H THR 32 H THR 32 4.363 -12.443 1.044
238 HA THR 32 HA THR 32 5.985 -14.667 2.196
239 HB THR 32 HB THR 32 3.384 -14.706 0.625
240 HG1 THR 32 1HG THR 32 4.163 -15.362 3.266
241 1HG2 THR 32 1HG2 THR 32 3.418 -17.193 1.420
242 2HG2 THR 32 2HG2 THR 32 4.266 -16.761 -0.061
243 3HG2 THR 32 3HG2 THR 32 5.187 -17.003 1.443
244 H ARG 33 H ARG 33 7.014 -12.515 0.412
245 HA ARG 33 HA ARG 33 8.465 -14.380 -1.314
246 1HB ARG 33 1HB ARG 33 6.171 -13.406 -2.401
247 2HB ARG 33 2HB ARG 33 7.244 -12.117 -2.890
248 1HG ARG 33 1HG ARG 33 8.451 -13.481 -4.325
249 2HG ARG 33 2HG ARG 33 8.237 -14.936 -3.341
250 1HD ARG 33 1HD ARG 33 6.053 -15.343 -4.093
251 2HD ARG 33 2HD ARG 33 5.844 -13.695 -4.689
252 HE ARG 33 HE ARG 33 6.962 -14.175 -6.633
253 1HH1 ARG 33 2HH2 ARG 33 7.440 -16.951 -4.539
254 2HH1 ARG 33 1HH2 ARG 33 8.064 -17.947 -5.830
255 1HH2 ARG 33 2HH1 ARG 33 7.783 -15.473 -8.235
256 2HH2 ARG 33 1HH1 ARG 33 8.219 -17.123 -7.902
257 H GLN 34 H GLN 34 9.426 -12.883 0.805
258 HA GLN 34 HA GLN 34 11.276 -11.029 -0.594
259 1HB GLN 34 1HB GLN 34 9.274 -10.050 1.021
260 2HB GLN 34 2HB GLN 34 10.550 -10.325 2.210
261 1HG GLN 34 1HG GLN 34 12.062 -9.088 0.376
262 2HG GLN 34 2HG GLN 34 10.504 -8.487 -0.196
263 1HE2 GLN 34 1HE2 GLN 34 9.399 -6.867 1.131
264 2HE2 GLN 34 2HE2 GLN 34 10.263 -6.209 2.526
265 H ARG 35 H ARG 35 13.345 -10.896 0.222
266 HA ARG 35 HA ARG 35 14.121 -12.515 2.533
267 1HB ARG 35 1HB ARG 35 14.143 -13.926 0.299
268 2HB ARG 35 2HB ARG 35 15.656 -13.075 -0.029
269 1HG ARG 35 1HG ARG 35 15.028 -14.576 2.559
270 2HG ARG 35 2HG ARG 35 15.798 -15.336 1.170
271 1HD ARG 35 1HD ARG 35 17.777 -14.125 1.381
272 2HD ARG 35 2HD ARG 35 17.046 -12.861 2.372
273 HE ARG 35 HE ARG 35 16.703 -14.953 4.002
274 1HH1 ARG 35 2HH2 ARG 35 19.548 -13.769 2.412
275 2HH1 ARG 35 1HH2 ARG 35 20.662 -14.377 3.613
276 1HH2 ARG 35 2HH1 ARG 35 18.088 -15.602 5.625
277 2HH2 ARG 35 1HH1 ARG 35 19.793 -15.334 5.464
278 H TYR 36 H TYR 36 14.804 -10.785 3.584
279 HA TYR 36 HA TYR 36 16.008 -8.474 2.814
280 1HB TYR 36 1HB TYR 36 15.269 -9.457 5.149
281 2HB TYR 36 2HB TYR 36 16.964 -9.891 5.307
282 HD1 TYR 36 1HD TYR 36 18.668 -8.128 5.638
283 HD2 TYR 36 2HD TYR 36 14.511 -7.138 5.035
284 HE1 TYR 36 1HE TYR 36 19.105 -5.787 6.357
285 HE2 TYR 36 2HE TYR 36 14.951 -4.810 5.742
286 HH TYR 36 HH TYR 36 16.567 -3.295 6.257
287 1HN NH2 37 NH1 NHE 37 18.036 -7.762 2.050
288 2HN NH2 37 NH2 NHE 37 19.414 -8.868 1.965
Start of MODEL 13
1 1H TYR 1 1H TYR 1 15.272 -6.758 4.077
2 2H TYR 1 2H TYR 1 16.719 -6.894 4.846
3 3H TYR 1 3H TYR 1 16.259 -8.043 3.745
4 HA TYR 1 HA TYR 1 15.341 -9.234 5.334
5 1HB TYR 1 1HB TYR 1 15.355 -8.309 7.715
6 2HB TYR 1 2HB TYR 1 16.901 -8.454 6.910
7 HD1 TYR 1 1HD TYR 1 14.150 -5.869 7.414
8 HD2 TYR 1 2HD TYR 1 18.396 -6.672 7.157
9 HE1 TYR 1 1HE TYR 1 14.618 -3.485 7.782
10 HE2 TYR 1 2HE TYR 1 18.850 -4.255 7.603
11 HH TYR 1 HH TYR 1 16.253 -1.896 8.134
12 HA PRO 2 HA PRO 2 11.077 -7.835 5.521
13 1HB PRO 2 1HB PRO 2 10.010 -9.506 7.444
14 2HB PRO 2 2HB PRO 2 10.373 -10.013 5.772
15 1HG PRO 2 1HG PRO 2 11.867 -10.622 8.279
16 2HG PRO 2 2HG PRO 2 11.765 -11.564 6.764
17 1HD PRO 2 1HD PRO 2 13.855 -9.826 7.616
18 2HD PRO 2 2HD PRO 2 13.707 -10.592 6.009
19 H ALA 3 H ALA 3 9.594 -6.674 6.902
20 HA ALA 3 HA ALA 3 10.100 -6.080 9.626
21 1HB ALA 3 1HB ALA 3 11.853 -4.652 8.099
22 2HB ALA 3 2HB ALA 3 10.450 -3.574 7.972
23 3HB ALA 3 3HB ALA 3 11.121 -4.011 9.572
24 H LYS 4 H LYS 4 8.656 -3.838 9.998
25 HA LYS 4 HA LYS 4 5.955 -4.385 9.241
26 1HB LYS 4 1HB LYS 4 7.414 -2.324 10.797
27 2HB LYS 4 2HB LYS 4 6.135 -1.601 9.849
28 1HG LYS 4 1HG LYS 4 5.018 -2.176 11.836
29 2HG LYS 4 2HG LYS 4 4.603 -3.512 10.772
30 1HD LYS 4 1HD LYS 4 6.905 -4.504 11.832
31 2HD LYS 4 2HD LYS 4 6.394 -3.471 13.170
32 1HE LYS 4 1HE LYS 4 4.492 -4.753 13.601
33 2HE LYS 4 2HE LYS 4 4.328 -5.262 11.916
34 1HZ LYS 4 1HZ LYS 4 6.263 -6.734 12.219
35 2HZ LYS 4 2HZ LYS 4 6.432 -6.259 13.766
36 3HZ LYS 4 3HZ LYS 4 5.097 -7.109 13.312
37 HA PRO 5 HA PRO 5 5.327 -2.711 5.301
38 1HB PRO 5 1HB PRO 5 3.017 -1.227 5.453
39 2HB PRO 5 2HB PRO 5 3.079 -3.001 5.431
40 1HG PRO 5 1HG PRO 5 2.609 -1.187 7.766
41 2HG PRO 5 2HG PRO 5 2.017 -2.854 7.482
42 1HD PRO 5 1HD PRO 5 4.146 -2.020 9.081
43 2HD PRO 5 2HD PRO 5 3.840 -3.715 8.571
44 H GLU 6 H GLU 6 5.830 -1.009 3.950
45 HA GLU 6 HA GLU 6 7.440 1.035 5.100
46 1HB GLU 6 1HB GLU 6 7.352 -0.034 2.653
47 2HB GLU 6 2HB GLU 6 6.262 1.309 2.332
48 1HG GLU 6 1HG GLU 6 7.993 2.735 2.123
49 2HG GLU 6 2HG GLU 6 8.551 2.379 3.748
50 H ALA 7 H ALA 7 7.127 3.326 5.152
51 HA ALA 7 HA ALA 7 4.605 4.509 4.578
52 1HB ALA 7 1HB ALA 7 4.375 5.140 7.182
53 2HB ALA 7 2HB ALA 7 3.603 3.708 6.474
54 3HB ALA 7 3HB ALA 7 5.125 3.537 7.368
55 HA PRO 8 HA PRO 8 7.638 7.829 4.745
56 1HB PRO 8 1HB PRO 8 5.894 9.984 4.438
57 2HB PRO 8 2HB PRO 8 6.541 8.975 3.114
58 1HG PRO 8 1HG PRO 8 3.815 8.894 4.341
59 2HG PRO 8 2HG PRO 8 4.367 8.487 2.690
60 1HD PRO 8 1HD PRO 8 3.760 6.770 4.878
61 2HD PRO 8 2HD PRO 8 4.508 6.296 3.320
62 H GLY 9 H GLY 9 8.143 9.664 6.089
63 1HA GLY 9 1HA GLY 9 7.480 9.358 8.889
64 2HA GLY 9 2HA GLY 9 8.491 10.611 8.166
65 H GLU 10 H GLU 10 7.513 12.194 9.521
66 HA GLU 10 HA GLU 10 4.676 12.862 9.416
67 1HB GLU 10 1HB GLU 10 7.154 13.813 10.782
68 2HB GLU 10 2HB GLU 10 5.974 15.062 10.506
69 1HG GLU 10 1HG GLU 10 4.731 12.594 11.573
70 2HG GLU 10 2HG GLU 10 5.987 13.251 12.607
71 H ASP 11 H ASP 11 5.598 12.630 6.838
72 HA ASP 11 HA ASP 11 4.885 15.202 5.684
73 1HB ASP 11 1HB ASP 11 7.697 14.159 5.510
74 2HB ASP 11 2HB ASP 11 6.991 14.731 4.009
75 H ALA 12 H ALA 12 3.045 13.997 5.137
76 HA ALA 12 HA ALA 12 3.249 12.852 2.499
77 1HB ALA 12 1HB ALA 12 3.034 10.656 2.871
78 2HB ALA 12 2HB ALA 12 3.611 11.005 4.511
79 3HB ALA 12 3HB ALA 12 1.877 10.855 4.205
80 H SER 13 H SER 13 1.616 13.834 1.527
81 HA SER 13 HA SER 13 -0.605 15.019 2.847
82 1HB SER 13 1HB SER 13 -1.066 15.889 0.808
83 2HB SER 13 2HB SER 13 0.526 15.272 0.378
84 HG SER 13 HG SER 13 -1.247 14.674 -1.068
85 HA PRO 14 HA PRO 14 -3.630 11.820 3.156
86 1HB PRO 14 1HB PRO 14 -5.955 12.803 1.999
87 2HB PRO 14 2HB PRO 14 -5.331 13.250 3.612
88 1HG PRO 14 1HG PRO 14 -5.264 14.822 1.087
89 2HG PRO 14 2HG PRO 14 -5.269 15.396 2.779
90 1HD PRO 14 1HD PRO 14 -3.074 15.166 1.026
91 2HD PRO 14 2HD PRO 14 -2.972 15.515 2.773
92 H GLU 15 H GLU 15 -2.670 12.850 0.005
93 HA GLU 15 HA GLU 15 -4.024 10.744 -1.509
94 1HB GLU 15 1HB GLU 15 -2.656 13.177 -2.089
95 2HB GLU 15 2HB GLU 15 -1.643 11.906 -2.768
96 1HG GLU 15 1HG GLU 15 -3.547 11.046 -4.056
97 2HG GLU 15 2HG GLU 15 -4.639 12.183 -3.258
98 H GLU 16 H GLU 16 -0.986 11.085 0.300
99 HA GLU 16 HA GLU 16 0.269 8.772 -0.934
100 1HB GLU 16 1HB GLU 16 1.227 10.785 0.606
101 2HB GLU 16 2HB GLU 16 1.031 9.577 1.858
102 1HG GLU 16 1HG GLU 16 2.472 9.048 -0.791
103 2HG GLU 16 2HG GLU 16 3.294 9.769 0.578
104 H LEU 17 H LEU 17 -1.831 9.309 1.914
105 HA LEU 17 HA LEU 17 -1.695 6.687 2.933
106 1HB LEU 17 1HB LEU 17 -3.052 8.968 3.622
107 2HB LEU 17 2HB LEU 17 -4.375 8.049 2.950
108 HG LEU 17 HG LEU 17 -2.890 6.220 4.610
109 1HD1 LEU 17 1HD1 LEU 17 -2.070 8.568 5.571
110 2HD1 LEU 17 2HD1 LEU 17 -3.654 8.533 6.375
111 3HD1 LEU 17 3HD1 LEU 17 -2.483 7.225 6.633
112 1HD2 LEU 17 1HD2 LEU 17 -4.930 6.044 5.852
113 2HD2 LEU 17 2HD2 LEU 17 -5.512 7.610 5.239
114 3HD2 LEU 17 3HD2 LEU 17 -5.330 6.217 4.140
115 H SER 18 H SER 18 -3.696 7.894 0.216
116 HA SER 18 HA SER 18 -5.045 5.357 -0.198
117 1HB SER 18 1HB SER 18 -5.953 6.230 -2.156
118 2HB SER 18 2HB SER 18 -5.872 7.585 -1.035
119 HG SER 18 HG SER 18 -3.647 7.454 -2.639
120 H ARG 19 H ARG 19 -1.831 6.396 -0.946
121 HA ARG 19 HA ARG 19 -1.322 4.451 -3.084
122 1HB ARG 19 1HB ARG 19 0.580 5.628 -3.363
123 2HB ARG 19 2HB ARG 19 -0.161 6.809 -2.324
124 1HG ARG 19 1HG ARG 19 1.813 6.682 -1.331
125 2HG ARG 19 2HG ARG 19 1.073 5.445 -0.354
126 1HD ARG 19 1HD ARG 19 2.508 3.898 -0.980
127 2HD ARG 19 2HD ARG 19 2.230 4.199 -2.701
128 HE ARG 19 HE ARG 19 4.099 5.692 -0.892
129 1HH1 ARG 19 2HH2 ARG 19 2.628 5.748 -3.982
130 2HH1 ARG 19 1HH2 ARG 19 3.827 6.801 -4.695
131 1HH2 ARG 19 2HH1 ARG 19 5.787 6.740 -1.820
132 2HH2 ARG 19 1HH1 ARG 19 5.645 7.273 -3.497
133 H TYR 20 H TYR 20 -1.180 4.590 0.403
134 HA TYR 20 HA TYR 20 0.559 2.320 0.806
135 1HB TYR 20 1HB TYR 20 0.301 4.098 2.468
136 2HB TYR 20 2HB TYR 20 -1.418 3.754 2.625
137 HD1 TYR 20 1HD TYR 20 1.976 2.399 3.297
138 HD2 TYR 20 2HD TYR 20 -2.278 1.946 3.944
139 HE1 TYR 20 1HE TYR 20 2.404 0.745 5.077
140 HE2 TYR 20 2HE TYR 20 -1.821 0.263 5.709
141 HH TYR 20 HH TYR 20 0.227 -1.416 6.159
142 H TYR 21 H TYR 21 -2.959 2.772 1.041
143 HA TYR 21 HA TYR 21 -3.838 0.173 1.658
144 1HB TYR 21 1HB TYR 21 -4.941 2.564 0.205
145 2HB TYR 21 2HB TYR 21 -5.771 1.045 -0.030
146 HD1 TYR 21 1HD TYR 21 -7.517 0.531 1.342
147 HD2 TYR 21 2HD TYR 21 -4.384 3.080 2.862
148 HE1 TYR 21 1HE TYR 21 -8.820 0.879 3.425
149 HE2 TYR 21 2HE TYR 21 -5.671 3.380 4.982
150 HH TYR 21 HH TYR 21 -9.000 2.305 5.269
151 H ALA 22 H ALA 22 -2.895 1.477 -1.524
152 HA ALA 22 HA ALA 22 -3.530 -0.899 -3.047
153 1HB ALA 22 1HB ALA 22 -1.806 0.251 -4.636
154 2HB ALA 22 2HB ALA 22 -3.332 1.093 -4.287
155 3HB ALA 22 3HB ALA 22 -1.838 1.584 -3.467
156 H SER 23 H SER 23 -0.545 0.294 -1.447
157 HA SER 23 HA SER 23 1.112 -1.887 -2.258
158 1HB SER 23 1HB SER 23 1.534 0.454 -0.804
159 2HB SER 23 2HB SER 23 1.753 -0.818 0.417
160 HG SER 23 HG SER 23 3.140 -1.862 -1.206
161 H LEU 24 H LEU 24 -1.019 -1.462 0.587
162 HA LEU 24 HA LEU 24 -0.427 -3.697 2.094
163 1HB LEU 24 1HB LEU 24 -2.784 -2.003 1.683
164 2HB LEU 24 2HB LEU 24 -3.263 -3.641 2.056
165 HG LEU 24 HG LEU 24 -1.427 -1.907 3.739
166 1HD1 LEU 24 1HD1 LEU 24 -4.023 -1.446 3.508
167 2HD1 LEU 24 2HD1 LEU 24 -4.181 -2.881 4.535
168 3HD1 LEU 24 3HD1 LEU 24 -3.266 -1.473 5.105
169 1HD2 LEU 24 1HD2 LEU 24 -0.731 -4.044 4.379
170 2HD2 LEU 24 2HD2 LEU 24 -2.138 -3.871 5.434
171 3HD2 LEU 24 3HD2 LEU 24 -2.268 -4.809 3.938
172 H ARG 25 H ARG 25 -2.637 -3.731 -0.741
173 HA ARG 25 HA ARG 25 -3.113 -6.546 -0.648
174 1HB ARG 25 1HB ARG 25 -4.072 -4.521 -2.194
175 2HB ARG 25 2HB ARG 25 -2.979 -5.247 -3.357
176 1HG ARG 25 1HG ARG 25 -5.159 -6.667 -1.772
177 2HG ARG 25 2HG ARG 25 -5.336 -6.137 -3.424
178 1HD ARG 25 1HD ARG 25 -3.119 -8.102 -2.778
179 2HD ARG 25 2HD ARG 25 -4.769 -8.653 -2.808
180 HE ARG 25 HE ARG 25 -4.892 -8.393 -5.062
181 1HH1 ARG 25 2HH2 ARG 25 -1.831 -7.020 -4.097
182 2HH1 ARG 25 1HH2 ARG 25 -1.381 -6.601 -5.738
183 1HH2 ARG 25 2HH1 ARG 25 -4.160 -8.094 -7.128
184 2HH2 ARG 25 1HH1 ARG 25 -2.602 -7.369 -7.425
185 H HIS 26 H HIS 26 -0.597 -4.711 -2.386
186 HA HIS 26 HA HIS 26 0.673 -7.047 -3.498
187 1HB HIS 26 1HB HIS 26 0.840 -4.381 -4.000
188 2HB HIS 26 2HB HIS 26 2.273 -4.557 -2.997
189 HD1 HIS 26 1HD HIS 26 4.167 -4.460 -4.877
190 HE1 HIS 26 1HE HIS 26 2.682 -7.454 -7.502
191 H TYR 27 H TYR 27 0.892 -5.515 -0.417
192 HA TYR 27 HA TYR 27 3.234 -6.831 0.594
193 1HB TYR 27 1HB TYR 27 1.953 -4.606 1.270
194 2HB TYR 27 2HB TYR 27 0.984 -5.667 2.270
195 HD1 TYR 27 1HD TYR 27 4.440 -4.578 1.463
196 HD2 TYR 27 2HD TYR 27 1.802 -6.363 4.383
197 HE1 TYR 27 1HE TYR 27 6.236 -4.409 3.184
198 HE2 TYR 27 2HE TYR 27 3.604 -6.179 6.105
199 HH TYR 27 HH TYR 27 6.705 -4.610 5.521
200 H LEU 28 H LEU 28 -0.286 -7.318 1.089
201 HA LEU 28 HA LEU 28 -0.143 -9.699 2.667
202 1HB LEU 28 1HB LEU 28 -2.234 -8.737 2.681
203 2HB LEU 28 2HB LEU 28 -2.173 -8.293 0.987
204 HG LEU 28 HG LEU 28 -2.539 -10.723 0.369
205 1HD1 LEU 28 1HD1 LEU 28 -2.669 -10.972 3.370
206 2HD1 LEU 28 2HD1 LEU 28 -3.840 -11.897 2.405
207 3HD1 LEU 28 3HD1 LEU 28 -2.113 -12.132 2.146
208 1HD2 LEU 28 1HD2 LEU 28 -4.918 -10.616 0.742
209 2HD2 LEU 28 2HD2 LEU 28 -4.695 -9.326 1.958
210 3HD2 LEU 28 3HD2 LEU 28 -4.265 -9.056 0.247
211 H ASN 29 H ASN 29 -0.072 -9.214 -0.900
212 HA ASN 29 HA ASN 29 0.105 -12.048 -1.468
213 1HB ASN 29 1HB ASN 29 0.438 -9.474 -2.964
214 2HB ASN 29 2HB ASN 29 1.371 -10.827 -3.585
215 1HD2 ASN 29 1HD2 ASN 29 -0.142 -10.219 -5.441
216 2HD2 ASN 29 2HD2 ASN 29 -1.608 -11.215 -5.471
217 H LEU 30 H LEU 30 2.410 -10.092 0.081
218 HA LEU 30 HA LEU 30 4.735 -11.558 -0.967
219 1HB LEU 30 1HB LEU 30 4.278 -8.958 0.104
220 2HB LEU 30 2HB LEU 30 5.143 -9.787 1.367
221 HG LEU 30 HG LEU 30 6.527 -10.428 -1.066
222 1HD1 LEU 30 1HD1 LEU 30 6.958 -8.257 -2.054
223 2HD1 LEU 30 2HD1 LEU 30 5.215 -8.576 -2.088
224 3HD1 LEU 30 3HD1 LEU 30 5.880 -7.462 -0.876
225 1HD2 LEU 30 1HD2 LEU 30 8.254 -8.842 -0.047
226 2HD2 LEU 30 2HD2 LEU 30 7.094 -8.577 1.269
227 3HD2 LEU 30 3HD2 LEU 30 7.728 -10.206 0.947
228 H VAL 31 H VAL 31 3.239 -10.950 2.228
229 HA VAL 31 HA VAL 31 4.582 -13.309 3.401
230 HB VAL 31 HB VAL 31 2.678 -11.223 4.485
231 1HG1 VAL 31 1HG1 VAL 31 3.479 -13.828 5.824
232 2HG1 VAL 31 2HG1 VAL 31 3.004 -12.391 6.731
233 3HG1 VAL 31 3HG1 VAL 31 1.861 -13.126 5.617
234 1HG2 VAL 31 1HG2 VAL 31 5.519 -12.123 5.130
235 2HG2 VAL 31 2HG2 VAL 31 5.028 -10.588 4.369
236 3HG2 VAL 31 3HG2 VAL 31 4.625 -10.914 6.065
237 H THR 32 H THR 32 1.528 -12.697 1.810
238 HA THR 32 HA THR 32 -0.210 -13.937 1.242
239 HB THR 32 HB THR 32 0.201 -15.742 0.078
240 HG1 THR 32 1HG THR 32 1.534 -17.470 0.767
241 1HG2 THR 32 1HG2 THR 32 2.186 -14.212 -0.294
242 2HG2 THR 32 2HG2 THR 32 3.130 -15.275 0.754
243 3HG2 THR 32 3HG2 THR 32 2.448 -15.898 -0.756
244 H ARG 33 H ARG 33 0.525 -13.672 4.103
245 HA ARG 33 HA ARG 33 -1.607 -15.225 5.405
246 1HB ARG 33 1HB ARG 33 0.500 -16.676 5.124
247 2HB ARG 33 2HB ARG 33 1.316 -15.582 6.231
248 1HG ARG 33 1HG ARG 33 -1.278 -16.383 7.328
249 2HG ARG 33 2HG ARG 33 -0.409 -17.812 6.815
250 1HD ARG 33 1HD ARG 33 1.373 -17.443 8.310
251 2HD ARG 33 2HD ARG 33 1.020 -15.738 8.514
252 HE ARG 33 HE ARG 33 -0.075 -17.910 10.055
253 1HH1 ARG 33 2HH2 ARG 33 -0.901 -14.677 8.940
254 2HH1 ARG 33 1HH2 ARG 33 -2.149 -14.458 10.149
255 1HH2 ARG 33 2HH1 ARG 33 -1.620 -17.572 11.644
256 2HH2 ARG 33 1HH1 ARG 33 -2.492 -16.051 11.660
257 H GLN 34 H GLN 34 -1.315 -12.388 5.086
258 HA GLN 34 HA GLN 34 -1.135 -11.635 7.956
259 1HB GLN 34 1HB GLN 34 1.000 -11.020 6.451
260 2HB GLN 34 2HB GLN 34 0.004 -9.646 6.020
261 1HG GLN 34 1HG GLN 34 1.171 -8.876 7.896
262 2HG GLN 34 2HG GLN 34 -0.358 -9.387 8.622
263 1HE2 GLN 34 1HE2 GLN 34 -0.018 -10.637 10.579
264 2HE2 GLN 34 2HE2 GLN 34 1.447 -11.630 10.709
265 H ARG 35 H ARG 35 -3.397 -11.842 7.870
266 HA ARG 35 HA ARG 35 -4.906 -10.052 6.125
267 1HB ARG 35 1HB ARG 35 -5.521 -12.382 7.740
268 2HB ARG 35 2HB ARG 35 -6.490 -11.059 8.344
269 1HG ARG 35 1HG ARG 35 -6.680 -10.910 5.479
270 2HG ARG 35 2HG ARG 35 -6.735 -12.614 5.878
271 1HD ARG 35 1HD ARG 35 -8.907 -12.356 6.297
272 2HD ARG 35 2HD ARG 35 -8.491 -11.448 7.753
273 HE ARG 35 HE ARG 35 -8.370 -9.582 5.697
274 1HH1 ARG 35 2HH2 ARG 35 -10.877 -11.635 6.988
275 2HH1 ARG 35 1HH2 ARG 35 -12.176 -10.629 6.425
276 1HH2 ARG 35 2HH1 ARG 35 -10.051 -8.248 5.022
277 2HH2 ARG 35 1HH1 ARG 35 -11.689 -8.705 5.352
278 H TYR 36 H TYR 36 -5.979 -8.208 6.665
279 HA TYR 36 HA TYR 36 -5.974 -7.150 9.373
280 1HB TYR 36 1HB TYR 36 -3.593 -6.860 8.286
281 2HB TYR 36 2HB TYR 36 -4.341 -5.594 7.340
282 HD1 TYR 36 1HD TYR 36 -4.153 -6.831 10.904
283 HD2 TYR 36 2HD TYR 36 -4.132 -3.438 8.247
284 HE1 TYR 36 1HE TYR 36 -3.808 -5.317 12.852
285 HE2 TYR 36 2HE TYR 36 -3.749 -1.919 10.200
286 HH TYR 36 HH TYR 36 -4.036 -3.001 13.498
287 1HN NH2 37 NH1 NHE 37 -8.274 -6.890 9.125
288 2HN NH2 37 NH2 NHE 37 -8.898 -5.747 7.935
Start of MODEL 14
1 1H TYR 1 1H TYR 1 7.597 -6.242 1.885
2 2H TYR 1 2H TYR 1 7.038 -4.881 2.584
3 3H TYR 1 3H TYR 1 7.257 -4.911 0.953
4 HA TYR 1 HA TYR 1 9.640 -5.160 1.276
5 1HB TYR 1 1HB TYR 1 8.101 -2.759 2.225
6 2HB TYR 1 2HB TYR 1 9.811 -2.795 2.551
7 HD1 TYR 1 1HD TYR 1 11.241 -1.850 0.965
8 HD2 TYR 1 2HD TYR 1 7.479 -3.515 -0.390
9 HE1 TYR 1 1HE TYR 1 11.750 -1.144 -1.349
10 HE2 TYR 1 2HE TYR 1 8.030 -2.839 -2.699
11 HH TYR 1 HH TYR 1 11.045 -1.122 -3.505
12 HA PRO 2 HA PRO 2 10.991 -6.390 5.350
13 1HB PRO 2 1HB PRO 2 13.552 -5.312 5.459
14 2HB PRO 2 2HB PRO 2 13.104 -6.792 4.577
15 1HG PRO 2 1HG PRO 2 13.731 -4.097 3.488
16 2HG PRO 2 2HG PRO 2 13.848 -5.699 2.705
17 1HD PRO 2 1HD PRO 2 11.783 -3.754 2.427
18 2HD PRO 2 2HD PRO 2 11.790 -5.408 1.748
19 H ALA 3 H ALA 3 11.744 -5.485 7.449
20 HA ALA 3 HA ALA 3 11.492 -4.107 9.215
21 1HB ALA 3 1HB ALA 3 11.939 -1.496 8.076
22 2HB ALA 3 2HB ALA 3 13.020 -2.518 9.036
23 3HB ALA 3 3HB ALA 3 12.980 -2.657 7.269
24 H LYS 4 H LYS 4 9.155 -4.922 8.492
25 HA LYS 4 HA LYS 4 6.903 -4.656 8.612
26 1HB LYS 4 1HB LYS 4 7.882 -2.343 10.282
27 2HB LYS 4 2HB LYS 4 6.275 -2.176 9.680
28 1HG LYS 4 1HG LYS 4 5.702 -3.319 11.555
29 2HG LYS 4 2HG LYS 4 6.056 -4.734 10.587
30 1HD LYS 4 1HD LYS 4 7.398 -5.253 12.391
31 2HD LYS 4 2HD LYS 4 8.569 -4.251 11.524
32 1HE LYS 4 1HE LYS 4 7.414 -2.268 12.847
33 2HE LYS 4 2HE LYS 4 6.799 -3.535 13.899
34 1HZ LYS 4 1HZ LYS 4 8.969 -2.487 14.624
35 2HZ LYS 4 2HZ LYS 4 9.014 -4.111 14.529
36 3HZ LYS 4 3HZ LYS 4 9.689 -3.216 13.336
37 HA PRO 5 HA PRO 5 5.518 -2.605 5.063
38 1HB PRO 5 1HB PRO 5 2.885 -1.823 5.571
39 2HB PRO 5 2HB PRO 5 3.408 -3.458 5.138
40 1HG PRO 5 1HG PRO 5 2.598 -2.435 7.788
41 2HG PRO 5 2HG PRO 5 2.612 -4.116 7.165
42 1HD PRO 5 1HD PRO 5 4.465 -2.917 8.923
43 2HD PRO 5 2HD PRO 5 4.650 -4.502 8.120
44 H GLU 6 H GLU 6 7.041 -1.001 5.149
45 HA GLU 6 HA GLU 6 6.746 1.465 6.377
46 1HB GLU 6 1HB GLU 6 8.726 0.408 4.989
47 2HB GLU 6 2HB GLU 6 8.019 1.300 3.634
48 1HG GLU 6 1HG GLU 6 8.571 3.369 4.508
49 2HG GLU 6 2HG GLU 6 8.354 2.857 6.172
50 H ALA 7 H ALA 7 6.015 3.456 5.800
51 HA ALA 7 HA ALA 7 4.614 4.097 3.413
52 1HB ALA 7 1HB ALA 7 2.891 2.725 3.988
53 2HB ALA 7 2HB ALA 7 3.040 2.999 5.736
54 3HB ALA 7 3HB ALA 7 2.333 4.259 4.686
55 HA PRO 8 HA PRO 8 5.482 7.959 5.719
56 1HB PRO 8 1HB PRO 8 5.011 9.693 3.617
57 2HB PRO 8 2HB PRO 8 6.517 8.776 3.846
58 1HG PRO 8 1HG PRO 8 4.286 8.249 1.918
59 2HG PRO 8 2HG PRO 8 6.032 7.908 1.764
60 1HD PRO 8 1HD PRO 8 3.994 6.096 2.533
61 2HD PRO 8 2HD PRO 8 5.754 5.808 2.616
62 H GLY 9 H GLY 9 3.384 6.850 6.669
63 1HA GLY 9 1HA GLY 9 0.814 8.053 6.145
64 2HA GLY 9 2HA GLY 9 1.328 7.306 7.672
65 H GLU 10 H GLU 10 -0.218 9.339 8.038
66 HA GLU 10 HA GLU 10 -0.413 11.168 9.379
67 1HB GLU 10 1HB GLU 10 2.044 10.492 10.089
68 2HB GLU 10 2HB GLU 10 2.496 11.945 9.211
69 1HG GLU 10 1HG GLU 10 1.798 13.289 10.880
70 2HG GLU 10 2HG GLU 10 0.255 12.459 11.032
71 H ASP 11 H ASP 11 -0.867 11.223 6.598
72 HA ASP 11 HA ASP 11 -1.493 12.607 4.920
73 1HB ASP 11 1HB ASP 11 -1.352 14.522 7.164
74 2HB ASP 11 2HB ASP 11 -1.008 15.254 5.616
75 H ALA 12 H ALA 12 -0.115 12.176 3.239
76 HA ALA 12 HA ALA 12 2.149 14.023 2.876
77 1HB ALA 12 1HB ALA 12 3.138 11.268 2.520
78 2HB ALA 12 2HB ALA 12 3.834 12.649 3.381
79 3HB ALA 12 3HB ALA 12 2.637 11.622 4.173
80 H SER 13 H SER 13 0.079 14.246 1.465
81 HA SER 13 HA SER 13 -0.195 14.882 -0.766
82 1HB SER 13 1HB SER 13 0.803 13.990 -2.584
83 2HB SER 13 2HB SER 13 1.926 13.386 -1.423
84 HG SER 13 HG SER 13 1.372 11.582 -2.475
85 HA PRO 14 HA PRO 14 -4.092 12.674 -1.147
86 1HB PRO 14 1HB PRO 14 -4.689 12.727 -3.853
87 2HB PRO 14 2HB PRO 14 -4.875 14.115 -2.746
88 1HG PRO 14 1HG PRO 14 -2.785 13.634 -4.818
89 2HG PRO 14 2HG PRO 14 -3.380 15.180 -4.141
90 1HD PRO 14 1HD PRO 14 -1.025 13.758 -3.486
91 2HD PRO 14 2HD PRO 14 -1.648 15.204 -2.638
92 H GLU 15 H GLU 15 -1.475 11.630 -3.294
93 HA GLU 15 HA GLU 15 -2.603 8.973 -3.768
94 1HB GLU 15 1HB GLU 15 -0.602 10.595 -4.966
95 2HB GLU 15 2HB GLU 15 0.266 9.224 -4.298
96 1HG GLU 15 1HG GLU 15 -0.946 7.651 -5.610
97 2HG GLU 15 2HG GLU 15 -2.231 8.799 -5.982
98 H GLU 16 H GLU 16 -1.038 10.461 -1.088
99 HA GLU 16 HA GLU 16 0.553 8.350 -0.119
100 1HB GLU 16 1HB GLU 16 -0.004 10.781 0.812
101 2HB GLU 16 2HB GLU 16 -1.112 9.918 1.850
102 1HG GLU 16 1HG GLU 16 1.892 9.542 1.578
103 2HG GLU 16 2HG GLU 16 0.995 10.173 2.968
104 H LEU 17 H LEU 17 -2.898 8.988 0.782
105 HA LEU 17 HA LEU 17 -3.178 6.555 2.205
106 1HB LEU 17 1HB LEU 17 -5.193 8.321 0.758
107 2HB LEU 17 2HB LEU 17 -5.688 6.833 1.546
108 HG LEU 17 HG LEU 17 -6.141 8.604 3.020
109 1HD1 LEU 17 1HD1 LEU 17 -4.812 6.403 3.836
110 2HD1 LEU 17 2HD1 LEU 17 -3.677 7.634 4.417
111 3HD1 LEU 17 3HD1 LEU 17 -5.374 7.662 4.948
112 1HD2 LEU 17 1HD2 LEU 17 -3.231 9.478 3.085
113 2HD2 LEU 17 2HD2 LEU 17 -4.482 10.260 2.091
114 3HD2 LEU 17 3HD2 LEU 17 -4.634 10.238 3.858
115 H SER 18 H SER 18 -3.578 7.175 -1.289
116 HA SER 18 HA SER 18 -4.402 4.454 -1.854
117 1HB SER 18 1HB SER 18 -4.279 4.951 -4.127
118 2HB SER 18 2HB SER 18 -4.839 6.438 -3.343
119 HG SER 18 HG SER 18 -2.176 5.929 -4.206
120 H ARG 19 H ARG 19 -1.231 5.963 -1.351
121 HA ARG 19 HA ARG 19 0.335 3.773 -2.400
122 1HB ARG 19 1HB ARG 19 2.094 5.069 -1.918
123 2HB ARG 19 2HB ARG 19 0.938 6.322 -1.653
124 1HG ARG 19 1HG ARG 19 2.103 6.621 0.235
125 2HG ARG 19 2HG ARG 19 1.053 5.405 0.910
126 1HD ARG 19 1HD ARG 19 2.992 4.495 1.544
127 2HD ARG 19 2HD ARG 19 2.872 3.728 -0.049
128 HE ARG 19 HE ARG 19 4.134 6.354 -0.057
129 1HH1 ARG 19 2HH2 ARG 19 4.839 2.989 0.434
130 2HH1 ARG 19 1HH2 ARG 19 6.550 3.147 0.115
131 1HH2 ARG 19 2HH1 ARG 19 6.307 6.583 -0.429
132 2HH2 ARG 19 1HH1 ARG 19 7.387 5.189 -0.285
133 H TYR 20 H TYR 20 -1.079 4.550 0.749
134 HA TYR 20 HA TYR 20 0.284 2.429 2.115
135 1HB TYR 20 1HB TYR 20 -0.689 4.533 3.153
136 2HB TYR 20 2HB TYR 20 -2.290 3.851 2.936
137 HD1 TYR 20 1HD TYR 20 -3.063 3.530 5.174
138 HD2 TYR 20 2HD TYR 20 0.865 2.145 4.083
139 HE1 TYR 20 1HE TYR 20 -2.780 2.520 7.420
140 HE2 TYR 20 2HE TYR 20 1.184 1.198 6.340
141 HH TYR 20 HH TYR 20 -1.378 1.316 8.808
142 H TYR 21 H TYR 21 -3.067 2.771 0.986
143 HA TYR 21 HA TYR 21 -3.925 0.121 1.633
144 1HB TYR 21 1HB TYR 21 -4.936 2.300 -0.208
145 2HB TYR 21 2HB TYR 21 -5.733 0.746 -0.091
146 HD1 TYR 21 1HD TYR 21 -4.411 3.333 2.389
147 HD2 TYR 21 2HD TYR 21 -7.589 0.643 1.290
148 HE1 TYR 21 1HE TYR 21 -5.739 4.192 4.243
149 HE2 TYR 21 2HE TYR 21 -8.932 1.498 3.207
150 HH TYR 21 HH TYR 21 -7.888 4.307 5.098
151 H ALA 22 H ALA 22 -2.496 1.498 -1.382
152 HA ALA 22 HA ALA 22 -2.736 -0.890 -2.929
153 1HB ALA 22 1HB ALA 22 -0.997 0.139 -4.360
154 2HB ALA 22 2HB ALA 22 -2.306 1.267 -3.979
155 3HB ALA 22 3HB ALA 22 -0.741 1.388 -3.135
156 H SER 23 H SER 23 0.050 0.434 -1.005
157 HA SER 23 HA SER 23 1.712 -1.815 -1.468
158 1HB SER 23 1HB SER 23 2.152 0.558 -0.187
159 2HB SER 23 2HB SER 23 2.018 -0.528 1.203
160 HG SER 23 HG SER 23 3.817 -0.493 -0.950
161 H LEU 24 H LEU 24 -0.708 -1.246 1.130
162 HA LEU 24 HA LEU 24 -0.301 -3.566 2.660
163 1HB LEU 24 1HB LEU 24 -2.697 -1.841 2.034
164 2HB LEU 24 2HB LEU 24 -2.922 -3.318 2.958
165 HG LEU 24 HG LEU 24 -0.827 -1.347 3.848
166 1HD1 LEU 24 1HD1 LEU 24 -2.870 -0.011 3.643
167 2HD1 LEU 24 2HD1 LEU 24 -3.813 -1.265 4.478
168 3HD1 LEU 24 3HD1 LEU 24 -2.562 -0.351 5.342
169 1HD2 LEU 24 1HD2 LEU 24 -1.016 -3.694 4.814
170 2HD2 LEU 24 2HD2 LEU 24 -1.211 -2.389 5.996
171 3HD2 LEU 24 3HD2 LEU 24 -2.639 -3.253 5.383
172 H ARG 25 H ARG 25 -2.561 -3.238 -0.146
173 HA ARG 25 HA ARG 25 -3.277 -6.031 -0.140
174 1HB ARG 25 1HB ARG 25 -3.923 -3.730 -1.741
175 2HB ARG 25 2HB ARG 25 -3.253 -4.931 -2.840
176 1HG ARG 25 1HG ARG 25 -4.895 -6.601 -1.575
177 2HG ARG 25 2HG ARG 25 -5.693 -5.105 -1.063
178 1HD ARG 25 1HD ARG 25 -5.299 -4.695 -3.799
179 2HD ARG 25 2HD ARG 25 -5.573 -6.449 -3.710
180 HE ARG 25 HE ARG 25 -7.551 -5.130 -2.159
181 1HH1 ARG 25 2HH2 ARG 25 -6.706 -5.391 -5.534
182 2HH1 ARG 25 1HH2 ARG 25 -8.335 -5.161 -6.095
183 1HH2 ARG 25 2HH1 ARG 25 -9.605 -4.671 -2.902
184 2HH2 ARG 25 1HH1 ARG 25 -9.952 -4.769 -4.601
185 H HIS 26 H HIS 26 -0.634 -4.269 -1.709
186 HA HIS 26 HA HIS 26 0.411 -6.568 -3.095
187 1HB HIS 26 1HB HIS 26 0.826 -3.894 -3.292
188 2HB HIS 26 2HB HIS 26 2.221 -4.318 -2.318
189 HD1 HIS 26 1HD HIS 26 4.270 -4.762 -3.933
190 HE1 HIS 26 1HE HIS 26 2.212 -6.422 -7.263
191 H TYR 27 H TYR 27 0.806 -5.378 0.167
192 HA TYR 27 HA TYR 27 3.043 -6.907 1.001
193 1HB TYR 27 1HB TYR 27 1.435 -4.894 2.078
194 2HB TYR 27 2HB TYR 27 0.998 -6.254 3.052
195 HD1 TYR 27 1HD TYR 27 3.802 -4.154 1.846
196 HD2 TYR 27 2HD TYR 27 2.454 -7.057 4.705
197 HE1 TYR 27 1HE TYR 27 5.853 -3.771 3.213
198 HE2 TYR 27 2HE TYR 27 4.567 -6.779 6.013
199 HH TYR 27 HH TYR 27 7.349 -5.467 4.979
200 H LEU 28 H LEU 28 -0.452 -7.391 1.400
201 HA LEU 28 HA LEU 28 -0.428 -9.979 2.594
202 1HB LEU 28 1HB LEU 28 -2.489 -8.904 2.611
203 2HB LEU 28 2HB LEU 28 -2.352 -8.353 0.961
204 HG LEU 28 HG LEU 28 -2.777 -10.674 0.128
205 1HD1 LEU 28 1HD1 LEU 28 -4.083 -11.989 2.174
206 2HD1 LEU 28 2HD1 LEU 28 -2.466 -12.379 1.587
207 3HD1 LEU 28 3HD1 LEU 28 -2.668 -11.347 3.010
208 1HD2 LEU 28 1HD2 LEU 28 -5.133 -10.610 0.499
209 2HD2 LEU 28 2HD2 LEU 28 -4.924 -9.590 1.940
210 3HD2 LEU 28 3HD2 LEU 28 -4.516 -8.963 0.319
211 H ASN 29 H ASN 29 -0.404 -9.064 -0.889
212 HA ASN 29 HA ASN 29 -0.158 -11.861 -1.699
213 1HB ASN 29 1HB ASN 29 -0.650 -9.284 -2.963
214 2HB ASN 29 2HB ASN 29 0.670 -10.083 -3.808
215 1HD2 ASN 29 1HD2 ASN 29 -1.960 -9.544 -4.895
216 2HD2 ASN 29 2HD2 ASN 29 -2.606 -11.163 -5.236
217 H LEU 30 H LEU 30 2.143 -9.667 -0.479
218 HA LEU 30 HA LEU 30 4.461 -10.880 -1.824
219 1HB LEU 30 1HB LEU 30 4.830 -8.661 -1.539
220 2HB LEU 30 2HB LEU 30 3.894 -8.531 -0.088
221 HG LEU 30 HG LEU 30 6.392 -10.056 0.340
222 1HD1 LEU 30 1HD1 LEU 30 7.797 -8.047 0.341
223 2HD1 LEU 30 2HD1 LEU 30 7.243 -8.486 -1.280
224 3HD1 LEU 30 3HD1 LEU 30 6.470 -7.128 -0.441
225 1HD2 LEU 30 1HD2 LEU 30 5.397 -7.551 1.749
226 2HD2 LEU 30 2HD2 LEU 30 4.686 -9.110 2.071
227 3HD2 LEU 30 3HD2 LEU 30 6.395 -8.883 2.391
228 H VAL 31 H VAL 31 2.912 -10.925 1.371
229 HA VAL 31 HA VAL 31 4.739 -13.131 2.249
230 HB VAL 31 HB VAL 31 2.995 -11.116 3.642
231 1HG1 VAL 31 1HG1 VAL 31 4.035 -13.648 4.957
232 2HG1 VAL 31 2HG1 VAL 31 3.567 -12.179 5.841
233 3HG1 VAL 31 3HG1 VAL 31 2.363 -13.049 4.898
234 1HG2 VAL 31 1HG2 VAL 31 5.673 -11.165 3.007
235 2HG2 VAL 31 2HG2 VAL 31 4.974 -10.259 4.365
236 3HG2 VAL 31 3HG2 VAL 31 5.713 -11.856 4.626
237 H THR 32 H THR 32 1.661 -12.823 0.840
238 HA THR 32 HA THR 32 -0.127 -14.134 0.583
239 HB THR 32 HB THR 32 1.222 -15.353 -0.850
240 HG1 THR 32 1HG THR 32 -0.177 -16.918 0.996
241 1HG2 THR 32 1HG2 THR 32 3.242 -15.815 0.376
242 2HG2 THR 32 2HG2 THR 32 2.371 -16.849 1.534
243 3HG2 THR 32 3HG2 THR 32 2.558 -17.349 -0.160
244 H ARG 33 H ARG 33 0.482 -13.416 3.286
245 HA ARG 33 HA ARG 33 -1.317 -15.158 4.790
246 1HB ARG 33 1HB ARG 33 1.069 -16.299 4.592
247 2HB ARG 33 2HB ARG 33 1.563 -15.125 5.791
248 1HG ARG 33 1HG ARG 33 -0.979 -16.336 6.590
249 2HG ARG 33 2HG ARG 33 0.138 -17.604 6.100
250 1HD ARG 33 1HD ARG 33 1.855 -16.479 7.664
251 2HD ARG 33 2HD ARG 33 0.509 -15.535 8.303
252 HE ARG 33 HE ARG 33 1.119 -18.335 8.777
253 1HH1 ARG 33 2HH2 ARG 33 -1.613 -16.188 8.572
254 2HH1 ARG 33 1HH2 ARG 33 -2.653 -17.217 9.525
255 1HH2 ARG 33 2HH1 ARG 33 -0.190 -19.601 10.071
256 2HH2 ARG 33 1HH1 ARG 33 -1.831 -19.135 10.368
257 H GLN 34 H GLN 34 -1.338 -12.380 4.296
258 HA GLN 34 HA GLN 34 -1.072 -11.321 7.061
259 1HB GLN 34 1HB GLN 34 0.811 -10.732 5.237
260 2HB GLN 34 2HB GLN 34 -0.317 -9.442 4.840
261 1HG GLN 34 1HG GLN 34 -0.218 -8.526 7.041
262 2HG GLN 34 2HG GLN 34 0.472 -10.003 7.728
263 1HE2 GLN 34 1HE2 GLN 34 1.705 -7.598 8.344
264 2HE2 GLN 34 2HE2 GLN 34 3.256 -7.653 7.503
265 H ARG 35 H ARG 35 -3.238 -11.624 7.353
266 HA ARG 35 HA ARG 35 -5.426 -10.978 5.832
267 1HB ARG 35 1HB ARG 35 -4.956 -10.702 8.817
268 2HB ARG 35 2HB ARG 35 -6.500 -10.229 8.090
269 1HG ARG 35 1HG ARG 35 -6.821 -12.446 7.124
270 2HG ARG 35 2HG ARG 35 -5.285 -13.008 7.795
271 1HD ARG 35 1HD ARG 35 -7.114 -11.750 9.789
272 2HD ARG 35 2HD ARG 35 -7.782 -13.179 8.995
273 HE ARG 35 HE ARG 35 -5.061 -13.572 9.954
274 1HH1 ARG 35 2HH2 ARG 35 -8.415 -13.741 10.935
275 2HH1 ARG 35 1HH2 ARG 35 -8.101 -14.814 12.266
276 1HH2 ARG 35 2HH1 ARG 35 -4.682 -15.003 11.648
277 2HH2 ARG 35 1HH1 ARG 35 -6.001 -15.553 12.627
278 H TYR 36 H TYR 36 -6.170 -9.319 4.819
279 HA TYR 36 HA TYR 36 -4.944 -6.714 5.018
280 1HB TYR 36 1HB TYR 36 -5.688 -7.803 2.922
281 2HB TYR 36 2HB TYR 36 -7.360 -7.700 3.452
282 HD1 TYR 36 1HD TYR 36 -4.362 -5.769 2.377
283 HD2 TYR 36 2HD TYR 36 -8.585 -5.613 3.269
284 HE1 TYR 36 1HE TYR 36 -4.513 -3.497 1.354
285 HE2 TYR 36 2HE TYR 36 -8.698 -3.311 2.286
286 HH TYR 36 HH TYR 36 -5.791 -1.688 0.982
287 1HN NH2 37 NH1 NHE 37 -6.229 -4.632 5.322
288 2HN NH2 37 NH2 NHE 37 -7.510 -4.701 6.524
Start of MODEL 15
1 1H TYR 1 1H TYR 1 14.965 -11.444 7.397
2 2H TYR 1 2H TYR 1 14.490 -12.874 6.742
3 3H TYR 1 3H TYR 1 14.129 -11.432 5.996
4 HA TYR 1 HA TYR 1 12.390 -12.737 7.484
5 1HB TYR 1 1HB TYR 1 14.184 -11.160 9.305
6 2HB TYR 1 2HB TYR 1 12.473 -11.079 9.630
7 HD1 TYR 1 1HD TYR 1 15.381 -12.900 10.420
8 HD2 TYR 1 2HD TYR 1 11.183 -13.498 9.566
9 HE1 TYR 1 1HE TYR 1 15.424 -15.080 11.592
10 HE2 TYR 1 2HE TYR 1 11.252 -15.653 10.728
11 HH TYR 1 HH TYR 1 14.227 -17.108 11.866
12 HA PRO 2 HA PRO 2 10.064 -9.242 6.024
13 1HB PRO 2 1HB PRO 2 7.880 -9.157 7.738
14 2HB PRO 2 2HB PRO 2 8.066 -10.299 6.381
15 1HG PRO 2 1HG PRO 2 8.347 -10.808 9.300
16 2HG PRO 2 2HG PRO 2 7.923 -11.941 7.979
17 1HD PRO 2 1HD PRO 2 10.438 -11.552 9.251
18 2HD PRO 2 2HD PRO 2 10.112 -12.594 7.823
19 H ALA 3 H ALA 3 9.216 -7.115 6.740
20 HA ALA 3 HA ALA 3 10.206 -6.067 9.286
21 1HB ALA 3 1HB ALA 3 12.047 -5.234 8.230
22 2HB ALA 3 2HB ALA 3 11.387 -5.469 6.607
23 3HB ALA 3 3HB ALA 3 10.925 -4.038 7.542
24 H LYS 4 H LYS 4 9.145 -4.048 9.766
25 HA LYS 4 HA LYS 4 6.412 -3.917 9.311
26 1HB LYS 4 1HB LYS 4 6.642 -1.514 10.110
27 2HB LYS 4 2HB LYS 4 7.283 -2.768 11.149
28 1HG LYS 4 1HG LYS 4 8.718 -0.786 11.098
29 2HG LYS 4 2HG LYS 4 9.581 -2.217 10.540
30 1HD LYS 4 1HD LYS 4 9.691 -1.490 8.344
31 2HD LYS 4 2HD LYS 4 8.251 -0.464 8.501
32 1HE LYS 4 1HE LYS 4 9.395 1.235 9.637
33 2HE LYS 4 2HE LYS 4 10.855 0.240 9.849
34 1HZ LYS 4 1HZ LYS 4 10.991 1.825 7.933
35 2HZ LYS 4 2HZ LYS 4 11.166 0.254 7.485
36 3HZ LYS 4 3HZ LYS 4 9.745 1.020 7.221
37 HA PRO 5 HA PRO 5 5.876 -2.214 5.280
38 1HB PRO 5 1HB PRO 5 3.510 -0.808 5.514
39 2HB PRO 5 2HB PRO 5 3.654 -2.577 5.327
40 1HG PRO 5 1HG PRO 5 2.989 -1.014 7.772
41 2HG PRO 5 2HG PRO 5 2.586 -2.708 7.354
42 1HD PRO 5 1HD PRO 5 4.661 -1.782 9.076
43 2HD PRO 5 2HD PRO 5 4.409 -3.458 8.516
44 H GLU 6 H GLU 6 5.624 -0.175 4.050
45 HA GLU 6 HA GLU 6 7.531 1.702 4.929
46 1HB GLU 6 1HB GLU 6 6.502 1.119 2.568
47 2HB GLU 6 2HB GLU 6 5.388 2.430 2.923
48 1HG GLU 6 1HG GLU 6 6.938 4.043 2.667
49 2HG GLU 6 2HG GLU 6 8.196 3.180 3.524
50 H ALA 7 H ALA 7 7.290 3.969 5.435
51 HA ALA 7 HA ALA 7 4.781 4.758 6.756
52 1HB ALA 7 1HB ALA 7 5.710 3.664 8.564
53 2HB ALA 7 2HB ALA 7 7.371 4.188 8.188
54 3HB ALA 7 3HB ALA 7 6.176 5.358 8.812
55 HA PRO 8 HA PRO 8 6.671 8.364 4.707
56 1HB PRO 8 1HB PRO 8 4.358 9.802 4.416
57 2HB PRO 8 2HB PRO 8 4.862 8.494 3.317
58 1HG PRO 8 1HG PRO 8 2.749 8.422 5.451
59 2HG PRO 8 2HG PRO 8 2.830 7.498 3.934
60 1HD PRO 8 1HD PRO 8 3.521 6.564 6.470
61 2HD PRO 8 2HD PRO 8 3.904 5.785 4.905
62 H GLY 9 H GLY 9 7.224 10.409 5.482
63 1HA GLY 9 1HA GLY 9 6.257 11.269 8.164
64 2HA GLY 9 2HA GLY 9 7.972 10.910 7.904
65 H GLU 10 H GLU 10 5.917 13.377 8.137
66 HA GLU 10 HA GLU 10 5.672 15.516 7.462
67 1HB GLU 10 1HB GLU 10 8.152 15.292 8.287
68 2HB GLU 10 2HB GLU 10 8.553 15.634 6.602
69 1HG GLU 10 1HG GLU 10 7.206 17.751 6.757
70 2HG GLU 10 2HG GLU 10 6.786 17.344 8.421
71 H ASP 11 H ASP 11 5.795 13.287 5.311
72 HA ASP 11 HA ASP 11 5.221 14.972 2.938
73 1HB ASP 11 1HB ASP 11 7.641 13.551 3.386
74 2HB ASP 11 2HB ASP 11 6.708 12.469 2.378
75 H ALA 12 H ALA 12 3.745 13.145 4.992
76 HA ALA 12 HA ALA 12 2.637 10.958 3.429
77 1HB ALA 12 1HB ALA 12 2.935 10.930 5.956
78 2HB ALA 12 2HB ALA 12 1.612 12.110 6.056
79 3HB ALA 12 3HB ALA 12 1.310 10.499 5.374
80 H SER 13 H SER 13 2.312 12.563 1.683
81 HA SER 13 HA SER 13 0.238 14.490 1.673
82 1HB SER 13 1HB SER 13 0.846 14.777 -0.497
83 2HB SER 13 2HB SER 13 2.199 13.739 -0.063
84 HG SER 13 HG SER 13 1.211 12.931 -1.917
85 HA PRO 14 HA PRO 14 -3.511 12.190 1.251
86 1HB PRO 14 1HB PRO 14 -4.856 13.249 -0.924
87 2HB PRO 14 2HB PRO 14 -4.740 14.019 0.683
88 1HG PRO 14 1HG PRO 14 -3.294 14.721 -1.841
89 2HG PRO 14 2HG PRO 14 -3.738 15.766 -0.457
90 1HD PRO 14 1HD PRO 14 -1.246 14.598 -1.023
91 2HD PRO 14 2HD PRO 14 -1.676 15.419 0.501
92 H GLU 15 H GLU 15 -1.301 12.212 -1.463
93 HA GLU 15 HA GLU 15 -2.586 9.981 -2.866
94 1HB GLU 15 1HB GLU 15 -0.677 11.966 -3.494
95 2HB GLU 15 2HB GLU 15 0.225 10.447 -3.523
96 1HG GLU 15 1HG GLU 15 -1.346 9.460 -5.077
97 2HG GLU 15 2HG GLU 15 -2.448 10.833 -4.920
98 H GLU 16 H GLU 16 -0.405 10.381 -0.183
99 HA GLU 16 HA GLU 16 0.910 7.850 -0.367
100 1HB GLU 16 1HB GLU 16 1.088 10.138 1.239
101 2HB GLU 16 2HB GLU 16 0.497 8.910 2.353
102 1HG GLU 16 1HG GLU 16 2.912 9.083 2.329
103 2HG GLU 16 2HG GLU 16 2.384 7.477 1.823
104 H LEU 17 H LEU 17 -2.229 8.821 1.025
105 HA LEU 17 HA LEU 17 -2.770 6.362 2.381
106 1HB LEU 17 1HB LEU 17 -4.305 8.716 1.464
107 2HB LEU 17 2HB LEU 17 -5.199 7.217 1.224
108 HG LEU 17 HG LEU 17 -4.648 6.587 3.609
109 1HD1 LEU 17 1HD1 LEU 17 -2.754 8.355 3.797
110 2HD1 LEU 17 2HD1 LEU 17 -4.048 9.535 4.049
111 3HD1 LEU 17 3HD1 LEU 17 -3.846 8.172 5.174
112 1HD2 LEU 17 1HD2 LEU 17 -6.247 9.049 3.962
113 2HD2 LEU 17 2HD2 LEU 17 -6.748 8.079 2.578
114 3HD2 LEU 17 3HD2 LEU 17 -6.686 7.342 4.184
115 H SER 18 H SER 18 -3.209 7.247 -1.036
116 HA SER 18 HA SER 18 -4.301 4.733 -1.905
117 1HB SER 18 1HB SER 18 -2.637 6.622 -3.613
118 2HB SER 18 2HB SER 18 -3.891 5.485 -4.122
119 HG SER 18 HG SER 18 -4.132 8.037 -3.315
120 H ARG 19 H ARG 19 -1.010 5.867 -1.293
121 HA ARG 19 HA ARG 19 0.330 3.638 -2.602
122 1HB ARG 19 1HB ARG 19 2.211 4.720 -2.051
123 2HB ARG 19 2HB ARG 19 1.175 6.042 -1.608
124 1HG ARG 19 1HG ARG 19 2.322 5.950 0.338
125 2HG ARG 19 2HG ARG 19 1.253 4.719 0.827
126 1HD ARG 19 1HD ARG 19 3.059 3.519 1.226
127 2HD ARG 19 2HD ARG 19 3.024 3.187 -0.514
128 HE ARG 19 HE ARG 19 4.350 5.714 0.203
129 1HH1 ARG 19 2HH2 ARG 19 4.844 2.298 -0.500
130 2HH1 ARG 19 1HH2 ARG 19 6.582 2.374 -0.245
131 1HH2 ARG 19 2HH1 ARG 19 6.528 5.839 0.238
132 2HH2 ARG 19 1HH1 ARG 19 7.566 4.426 0.064
133 H TYR 20 H TYR 20 -1.071 4.201 0.579
134 HA TYR 20 HA TYR 20 0.192 1.879 1.784
135 1HB TYR 20 1HB TYR 20 -0.456 4.044 2.957
136 2HB TYR 20 2HB TYR 20 -2.134 3.533 2.841
137 HD1 TYR 20 1HD TYR 20 -3.017 2.538 4.785
138 HD2 TYR 20 2HD TYR 20 1.187 2.073 3.926
139 HE1 TYR 20 1HE TYR 20 -2.690 1.377 6.963
140 HE2 TYR 20 2HE TYR 20 1.504 0.912 6.085
141 HH TYR 20 HH TYR 20 0.530 0.519 8.155
142 H TYR 21 H TYR 21 -3.189 2.708 0.897
143 HA TYR 21 HA TYR 21 -4.390 0.195 1.417
144 1HB TYR 21 1HB TYR 21 -4.947 2.526 -0.408
145 2HB TYR 21 2HB TYR 21 -5.853 1.043 -0.665
146 HD1 TYR 21 1HD TYR 21 -7.014 -0.059 1.360
147 HD2 TYR 21 2HD TYR 21 -5.729 4.055 1.260
148 HE1 TYR 21 1HE TYR 21 -8.660 0.499 3.150
149 HE2 TYR 21 2HE TYR 21 -7.375 4.614 3.045
150 HH TYR 21 HH TYR 21 -9.074 2.253 4.862
151 H ALA 22 H ALA 22 -3.031 1.343 -1.745
152 HA ALA 22 HA ALA 22 -3.456 -1.188 -3.016
153 1HB ALA 22 1HB ALA 22 -2.883 1.292 -3.936
154 2HB ALA 22 2HB ALA 22 -1.263 0.578 -4.009
155 3HB ALA 22 3HB ALA 22 -2.618 -0.174 -4.870
156 H SER 23 H SER 23 -0.647 0.199 -1.226
157 HA SER 23 HA SER 23 1.128 -1.973 -1.673
158 1HB SER 23 1HB SER 23 2.043 0.023 -0.792
159 2HB SER 23 2HB SER 23 0.964 0.001 0.621
160 HG SER 23 HG SER 23 2.658 -2.167 0.151
161 H LEU 24 H LEU 24 -1.332 -1.522 0.933
162 HA LEU 24 HA LEU 24 -0.686 -3.704 2.558
163 1HB LEU 24 1HB LEU 24 -3.288 -2.324 1.869
164 2HB LEU 24 2HB LEU 24 -3.295 -3.708 2.938
165 HG LEU 24 HG LEU 24 -1.650 -1.201 3.492
166 1HD1 LEU 24 1HD1 LEU 24 -3.401 -0.476 4.929
167 2HD1 LEU 24 2HD1 LEU 24 -4.195 -0.891 3.415
168 3HD1 LEU 24 3HD1 LEU 24 -4.279 -2.013 4.788
169 1HD2 LEU 24 1HD2 LEU 24 -0.658 -2.877 4.758
170 2HD2 LEU 24 2HD2 LEU 24 -1.881 -2.253 5.875
171 3HD2 LEU 24 3HD2 LEU 24 -2.176 -3.767 4.995
172 H ARG 25 H ARG 25 -3.014 -3.701 -0.151
173 HA ARG 25 HA ARG 25 -3.423 -6.552 -0.134
174 1HB ARG 25 1HB ARG 25 -4.344 -4.310 -1.673
175 2HB ARG 25 2HB ARG 25 -3.602 -5.390 -2.830
176 1HG ARG 25 1HG ARG 25 -5.364 -6.746 -2.809
177 2HG ARG 25 2HG ARG 25 -5.226 -7.038 -1.078
178 1HD ARG 25 1HD ARG 25 -6.636 -5.181 -0.525
179 2HD ARG 25 2HD ARG 25 -6.514 -4.511 -2.153
180 HE ARG 25 HE ARG 25 -8.038 -6.016 -2.979
181 1HH1 ARG 25 2HH2 ARG 25 -7.379 -6.937 0.331
182 2HH1 ARG 25 1HH2 ARG 25 -8.675 -8.112 0.380
183 1HH2 ARG 25 2HH1 ARG 25 -9.696 -7.460 -2.868
184 2HH2 ARG 25 1HH1 ARG 25 -10.014 -8.341 -1.389
185 H HIS 26 H HIS 26 -1.114 -4.512 -1.926
186 HA HIS 26 HA HIS 26 0.122 -6.661 -3.311
187 1HB HIS 26 1HB HIS 26 0.292 -4.056 -3.608
188 2HB HIS 26 2HB HIS 26 1.668 -4.187 -2.509
189 HD1 HIS 26 1HD HIS 26 1.550 -3.529 -5.840
190 HE1 HIS 26 1HE HIS 26 3.766 -7.148 -6.111
191 H TYR 27 H TYR 27 0.559 -5.509 -0.040
192 HA TYR 27 HA TYR 27 2.943 -6.859 0.721
193 1HB TYR 27 1HB TYR 27 1.145 -4.967 1.863
194 2HB TYR 27 2HB TYR 27 1.024 -6.335 2.904
195 HD1 TYR 27 1HD TYR 27 2.739 -6.829 4.469
196 HD2 TYR 27 2HD TYR 27 3.370 -3.924 1.352
197 HE1 TYR 27 1HE TYR 27 4.915 -6.154 5.521
198 HE2 TYR 27 2HE TYR 27 5.527 -3.252 2.388
199 HH TYR 27 HH TYR 27 7.036 -3.678 4.119
200 H LEU 28 H LEU 28 -0.501 -7.535 1.345
201 HA LEU 28 HA LEU 28 -0.190 -10.110 2.553
202 1HB LEU 28 1HB LEU 28 -2.305 -9.237 2.833
203 2HB LEU 28 2HB LEU 28 -2.376 -8.563 1.215
204 HG LEU 28 HG LEU 28 -2.717 -10.899 0.294
205 1HD1 LEU 28 1HD1 LEU 28 -2.102 -12.517 1.827
206 2HD1 LEU 28 2HD1 LEU 28 -2.642 -11.570 3.233
207 3HD1 LEU 28 3HD1 LEU 28 -3.819 -12.406 2.210
208 1HD2 LEU 28 1HD2 LEU 28 -4.812 -9.906 2.235
209 2HD2 LEU 28 2HD2 LEU 28 -4.503 -9.262 0.599
210 3HD2 LEU 28 3HD2 LEU 28 -5.050 -10.930 0.793
211 H ASN 29 H ASN 29 -0.495 -9.171 -0.922
212 HA ASN 29 HA ASN 29 -0.315 -11.891 -1.829
213 1HB ASN 29 1HB ASN 29 -1.066 -9.601 -3.016
214 2HB ASN 29 2HB ASN 29 0.616 -9.616 -3.570
215 1HD2 ASN 29 1HD2 ASN 29 0.895 -10.776 -5.543
216 2HD2 ASN 29 2HD2 ASN 29 -0.262 -12.016 -6.023
217 H LEU 30 H LEU 30 2.091 -9.874 -0.534
218 HA LEU 30 HA LEU 30 4.362 -11.113 -1.915
219 1HB LEU 30 1HB LEU 30 3.823 -8.579 -0.619
220 2HB LEU 30 2HB LEU 30 5.043 -9.340 0.321
221 HG LEU 30 HG LEU 30 5.871 -9.723 -2.391
222 1HD1 LEU 30 1HD1 LEU 30 6.034 -7.241 -3.043
223 2HD1 LEU 30 2HD1 LEU 30 4.467 -8.043 -3.254
224 3HD1 LEU 30 3HD1 LEU 30 4.735 -6.954 -1.877
225 1HD2 LEU 30 1HD2 LEU 30 7.204 -9.248 -0.199
226 2HD2 LEU 30 2HD2 LEU 30 7.807 -8.672 -1.750
227 3HD2 LEU 30 3HD2 LEU 30 6.996 -7.538 -0.650
228 H VAL 31 H VAL 31 3.425 -10.553 1.508
229 HA VAL 31 HA VAL 31 5.186 -12.686 2.457
230 HB VAL 31 HB VAL 31 2.949 -11.292 3.966
231 1HG1 VAL 31 1HG1 VAL 31 4.611 -13.430 4.837
232 2HG1 VAL 31 2HG1 VAL 31 5.328 -11.999 5.544
233 3HG1 VAL 31 3HG1 VAL 31 3.611 -12.370 5.830
234 1HG2 VAL 31 1HG2 VAL 31 4.446 -9.560 3.137
235 2HG2 VAL 31 2HG2 VAL 31 4.779 -9.801 4.851
236 3HG2 VAL 31 3HG2 VAL 31 5.873 -10.499 3.638
237 H THR 32 H THR 32 1.976 -12.610 1.157
238 HA THR 32 HA THR 32 0.324 -14.119 0.906
239 HB THR 32 HB THR 32 1.892 -14.831 -0.674
240 HG1 THR 32 1HG THR 32 -0.001 -16.315 0.122
241 1HG2 THR 32 1HG2 THR 32 3.881 -15.360 0.526
242 2HG2 THR 32 2HG2 THR 32 3.087 -16.692 1.394
243 3HG2 THR 32 3HG2 THR 32 3.380 -16.794 -0.359
244 H ARG 33 H ARG 33 1.129 -13.609 3.576
245 HA ARG 33 HA ARG 33 -0.425 -15.427 5.210
246 1HB ARG 33 1HB ARG 33 1.656 -16.808 4.688
247 2HB ARG 33 2HB ARG 33 2.613 -15.546 5.460
248 1HG ARG 33 1HG ARG 33 0.562 -16.163 7.342
249 2HG ARG 33 2HG ARG 33 0.962 -17.721 6.641
250 1HD ARG 33 1HD ARG 33 3.212 -17.592 7.348
251 2HD ARG 33 2HD ARG 33 3.160 -15.826 7.542
252 HE ARG 33 HE ARG 33 1.326 -16.580 9.364
253 1HH1 ARG 33 2HH2 ARG 33 4.648 -17.444 8.900
254 2HH1 ARG 33 1HH2 ARG 33 4.977 -17.720 10.584
255 1HH2 ARG 33 2HH1 ARG 33 1.674 -17.008 11.528
256 2HH2 ARG 33 1HH1 ARG 33 3.273 -17.461 12.058
257 H GLN 34 H GLN 34 -0.695 -12.744 4.970
258 HA GLN 34 HA GLN 34 0.486 -11.620 7.486
259 1HB GLN 34 1HB GLN 34 1.073 -10.201 5.713
260 2HB GLN 34 2HB GLN 34 -0.531 -10.255 4.984
261 1HG GLN 34 1HG GLN 34 -0.514 -9.227 7.794
262 2HG GLN 34 2HG GLN 34 0.437 -8.271 6.671
263 1HE2 GLN 34 1HE2 GLN 34 -2.929 -9.641 7.049
264 2HE2 GLN 34 2HE2 GLN 34 -3.609 -8.289 6.155
265 H ARG 35 H ARG 35 -0.817 -11.839 9.183
266 HA ARG 35 HA ARG 35 -3.617 -11.015 8.925
267 1HB ARG 35 1HB ARG 35 -3.830 -13.365 8.545
268 2HB ARG 35 2HB ARG 35 -2.774 -13.784 9.884
269 1HG ARG 35 1HG ARG 35 -5.277 -12.183 10.447
270 2HG ARG 35 2HG ARG 35 -5.435 -13.889 10.081
271 1HD ARG 35 1HD ARG 35 -3.350 -13.111 12.137
272 2HD ARG 35 2HD ARG 35 -5.046 -13.005 12.599
273 HE ARG 35 HE ARG 35 -3.493 -15.422 12.139
274 1HH1 ARG 35 2HH2 ARG 35 -6.717 -14.089 12.233
275 2HH1 ARG 35 1HH2 ARG 35 -7.516 -15.631 12.328
276 1HH2 ARG 35 2HH1 ARG 35 -4.506 -17.402 12.431
277 2HH2 ARG 35 1HH1 ARG 35 -6.230 -17.477 12.628
278 H TYR 36 H TYR 36 -4.462 -10.222 10.814
279 HA TYR 36 HA TYR 36 -2.589 -9.577 13.009
280 1HB TYR 36 1HB TYR 36 -4.787 -8.206 11.637
281 2HB TYR 36 2HB TYR 36 -5.083 -8.260 13.360
282 HD1 TYR 36 1HD TYR 36 -3.294 -6.567 10.759
283 HD2 TYR 36 2HD TYR 36 -3.144 -7.603 14.942
284 HE1 TYR 36 1HE TYR 36 -1.672 -4.706 11.170
285 HE2 TYR 36 2HE TYR 36 -1.530 -5.753 15.347
286 HH TYR 36 HH TYR 36 -0.134 -4.190 14.311
287 1HN NH2 37 NH1 NHE 37 -2.561 -11.264 14.523
288 2HN NH2 37 NH2 NHE 37 -4.080 -11.875 15.199
Start of MODEL 16
1 1H TYR 1 1H TYR 1 16.317 -1.328 -2.181
2 2H TYR 1 2H TYR 1 14.682 -1.168 -2.072
3 3H TYR 1 3H TYR 1 15.637 -0.730 -0.802
4 HA TYR 1 HA TYR 1 14.782 -3.356 -1.630
5 1HB TYR 1 1HB TYR 1 17.585 -2.668 -0.761
6 2HB TYR 1 2HB TYR 1 16.876 -4.198 -0.273
7 HD1 TYR 1 1HD TYR 1 17.774 -2.201 -3.353
8 HD2 TYR 1 2HD TYR 1 16.742 -6.056 -1.668
9 HE1 TYR 1 1HE TYR 1 18.387 -3.305 -5.481
10 HE2 TYR 1 2HE TYR 1 17.384 -7.136 -3.812
11 HH TYR 1 HH TYR 1 19.207 -5.666 -6.150
12 HA PRO 2 HA PRO 2 13.475 -2.049 2.636
13 1HB PRO 2 1HB PRO 2 10.768 -1.726 2.267
14 2HB PRO 2 2HB PRO 2 11.969 -0.412 2.074
15 1HG PRO 2 1HG PRO 2 10.526 -1.955 -0.051
16 2HG PRO 2 2HG PRO 2 11.132 -0.269 -0.072
17 1HD PRO 2 1HD PRO 2 12.387 -2.574 -1.195
18 2HD PRO 2 2HD PRO 2 13.081 -0.932 -1.007
19 H ALA 3 H ALA 3 12.013 -3.287 4.034
20 HA ALA 3 HA ALA 3 11.050 -5.918 3.096
21 1HB ALA 3 1HB ALA 3 12.581 -6.946 4.973
22 2HB ALA 3 2HB ALA 3 13.262 -6.566 3.393
23 3HB ALA 3 3HB ALA 3 13.534 -5.471 4.767
24 H LYS 4 H LYS 4 9.502 -3.812 4.011
25 HA LYS 4 HA LYS 4 8.025 -4.974 6.136
26 1HB LYS 4 1HB LYS 4 8.295 -3.033 7.772
27 2HB LYS 4 2HB LYS 4 9.608 -4.171 7.670
28 1HG LYS 4 1HG LYS 4 10.583 -2.053 7.853
29 2HG LYS 4 2HG LYS 4 10.876 -2.530 6.196
30 1HD LYS 4 1HD LYS 4 9.567 -0.828 5.332
31 2HD LYS 4 2HD LYS 4 8.357 -0.990 6.599
32 1HE LYS 4 1HE LYS 4 9.089 0.942 7.384
33 2HE LYS 4 2HE LYS 4 10.357 -0.025 8.123
34 1HZ LYS 4 1HZ LYS 4 11.759 0.493 6.174
35 2HZ LYS 4 2HZ LYS 4 10.554 1.396 5.518
36 3HZ LYS 4 3HZ LYS 4 11.259 1.867 6.920
37 HA PRO 5 HA PRO 5 5.017 -2.290 4.192
38 1HB PRO 5 1HB PRO 5 3.076 -2.043 6.120
39 2HB PRO 5 2HB PRO 5 3.338 -3.507 5.135
40 1HG PRO 5 1HG PRO 5 4.098 -3.006 7.990
41 2HG PRO 5 2HG PRO 5 3.627 -4.536 7.193
42 1HD PRO 5 1HD PRO 5 6.244 -3.670 7.777
43 2HD PRO 5 2HD PRO 5 5.816 -5.007 6.675
44 H GLU 6 H GLU 6 6.549 -0.596 4.097
45 HA GLU 6 HA GLU 6 7.044 1.335 6.084
46 1HB GLU 6 1HB GLU 6 8.113 1.002 3.718
47 2HB GLU 6 2HB GLU 6 6.814 2.036 3.134
48 1HG GLU 6 1HG GLU 6 8.126 3.216 5.503
49 2HG GLU 6 2HG GLU 6 9.314 2.773 4.295
50 H ALA 7 H ALA 7 6.229 3.522 6.358
51 HA ALA 7 HA ALA 7 3.530 4.047 5.422
52 1HB ALA 7 1HB ALA 7 3.131 4.575 8.077
53 2HB ALA 7 2HB ALA 7 2.623 3.078 7.263
54 3HB ALA 7 3HB ALA 7 4.138 3.116 8.190
55 HA PRO 8 HA PRO 8 5.590 8.027 5.668
56 1HB PRO 8 1HB PRO 8 3.425 9.632 5.148
57 2HB PRO 8 2HB PRO 8 4.395 8.813 3.889
58 1HG PRO 8 1HG PRO 8 1.660 8.136 4.869
59 2HG PRO 8 2HG PRO 8 2.425 7.770 3.296
60 1HD PRO 8 1HD PRO 8 2.114 6.008 5.507
61 2HD PRO 8 2HD PRO 8 3.102 5.718 4.047
62 H GLY 9 H GLY 9 5.867 9.461 7.289
63 1HA GLY 9 1HA GLY 9 4.536 9.119 9.851
64 2HA GLY 9 2HA GLY 9 5.795 10.296 9.447
65 H GLU 10 H GLU 10 4.685 11.967 10.581
66 HA GLU 10 HA GLU 10 1.994 12.775 10.047
67 1HB GLU 10 1HB GLU 10 2.537 14.722 11.398
68 2HB GLU 10 2HB GLU 10 3.132 13.248 12.144
69 1HG GLU 10 1HG GLU 10 5.423 13.722 11.425
70 2HG GLU 10 2HG GLU 10 4.885 15.134 10.519
71 H ASP 11 H ASP 11 3.781 12.602 7.602
72 HA ASP 11 HA ASP 11 3.229 15.209 6.359
73 1HB ASP 11 1HB ASP 11 5.664 15.030 7.397
74 2HB ASP 11 2HB ASP 11 6.002 14.052 5.993
75 H ALA 12 H ALA 12 1.628 14.031 5.265
76 HA ALA 12 HA ALA 12 2.399 13.029 2.696
77 1HB ALA 12 1HB ALA 12 2.769 10.911 3.467
78 2HB ALA 12 2HB ALA 12 1.613 11.050 4.828
79 3HB ALA 12 3HB ALA 12 1.023 10.800 3.182
80 H SER 13 H SER 13 0.855 13.713 1.378
81 HA SER 13 HA SER 13 -1.607 14.858 2.296
82 1HB SER 13 1HB SER 13 -1.768 15.668 0.178
83 2HB SER 13 2HB SER 13 -0.084 15.182 0.079
84 HG SER 13 HG SER 13 -1.349 14.418 -1.682
85 HA PRO 14 HA PRO 14 -4.423 11.450 2.153
86 1HB PRO 14 1HB PRO 14 -6.586 12.255 0.617
87 2HB PRO 14 2HB PRO 14 -6.271 12.773 2.297
88 1HG PRO 14 1HG PRO 14 -5.858 14.289 -0.242
89 2HG PRO 14 2HG PRO 14 -6.240 14.901 1.392
90 1HD PRO 14 1HD PRO 14 -3.729 14.857 0.127
91 2HD PRO 14 2HD PRO 14 -3.998 15.161 1.868
92 H GLU 15 H GLU 15 -3.057 12.560 -0.829
93 HA GLU 15 HA GLU 15 -4.006 10.383 -2.501
94 1HB GLU 15 1HB GLU 15 -2.653 12.823 -2.949
95 2HB GLU 15 2HB GLU 15 -1.418 11.606 -3.218
96 1HG GLU 15 1HG GLU 15 -3.497 10.484 -4.621
97 2HG GLU 15 2HG GLU 15 -3.977 12.175 -4.683
98 H GLU 16 H GLU 16 -1.149 10.986 -0.424
99 HA GLU 16 HA GLU 16 0.238 8.629 -1.302
100 1HB GLU 16 1HB GLU 16 0.954 10.840 0.221
101 2HB GLU 16 2HB GLU 16 0.828 9.565 1.445
102 1HG GLU 16 1HG GLU 16 2.664 8.446 0.692
103 2HG GLU 16 2HG GLU 16 2.285 8.725 -0.999
104 H LEU 17 H LEU 17 -2.220 9.167 1.196
105 HA LEU 17 HA LEU 17 -1.949 6.629 2.464
106 1HB LEU 17 1HB LEU 17 -3.363 8.671 3.129
107 2HB LEU 17 2HB LEU 17 -4.584 8.094 2.012
108 HG LEU 17 HG LEU 17 -4.907 7.580 4.444
109 1HD1 LEU 17 1HD1 LEU 17 -5.811 5.376 4.188
110 2HD1 LEU 17 2HD1 LEU 17 -6.045 6.240 2.656
111 3HD1 LEU 17 3HD1 LEU 17 -4.763 5.024 2.810
112 1HD2 LEU 17 1HD2 LEU 17 -2.819 5.403 4.168
113 2HD2 LEU 17 2HD2 LEU 17 -2.431 7.003 4.828
114 3HD2 LEU 17 3HD2 LEU 17 -3.643 5.979 5.630
115 H SER 18 H SER 18 -3.690 7.551 -0.509
116 HA SER 18 HA SER 18 -4.799 4.931 -1.013
117 1HB SER 18 1HB SER 18 -5.511 7.170 -2.077
118 2HB SER 18 2HB SER 18 -4.120 6.945 -3.170
119 HG SER 18 HG SER 18 -5.080 4.717 -3.420
120 H ARG 19 H ARG 19 -1.578 6.184 -1.370
121 HA ARG 19 HA ARG 19 -0.646 4.126 -3.241
122 1HB ARG 19 1HB ARG 19 1.232 5.367 -3.336
123 2HB ARG 19 2HB ARG 19 0.311 6.576 -2.501
124 1HG ARG 19 1HG ARG 19 2.122 6.627 -1.196
125 2HG ARG 19 2HG ARG 19 1.333 5.369 -0.293
126 1HD ARG 19 1HD ARG 19 2.895 3.873 -0.704
127 2HD ARG 19 2HD ARG 19 2.938 4.231 -2.442
128 HE ARG 19 HE ARG 19 4.127 6.419 -1.106
129 1HH1 ARG 19 2HH2 ARG 19 4.877 3.060 -1.509
130 2HH1 ARG 19 1HH2 ARG 19 6.604 3.298 -1.439
131 1HH2 ARG 19 2HH1 ARG 19 6.335 6.735 -0.994
132 2HH2 ARG 19 1HH1 ARG 19 7.410 5.391 -1.208
133 H TYR 20 H TYR 20 -0.980 4.533 0.231
134 HA TYR 20 HA TYR 20 0.786 2.349 0.919
135 1HB TYR 20 1HB TYR 20 0.428 4.287 2.416
136 2HB TYR 20 2HB TYR 20 -1.273 3.847 2.584
137 HD1 TYR 20 1HD TYR 20 1.790 1.610 2.704
138 HD2 TYR 20 2HD TYR 20 -1.545 3.318 4.856
139 HE1 TYR 20 1HE TYR 20 2.289 0.159 4.609
140 HE2 TYR 20 2HE TYR 20 -1.002 1.862 6.804
141 HH TYR 20 HH TYR 20 1.624 -0.540 6.625
142 H TYR 21 H TYR 21 -2.769 2.758 1.120
143 HA TYR 21 HA TYR 21 -3.521 0.199 1.919
144 1HB TYR 21 1HB TYR 21 -4.766 2.532 0.889
145 2HB TYR 21 2HB TYR 21 -5.290 1.251 -0.171
146 HD1 TYR 21 1HD TYR 21 -6.837 -0.459 0.597
147 HD2 TYR 21 2HD TYR 21 -5.238 2.471 3.330
148 HE1 TYR 21 1HE TYR 21 -8.595 -1.046 2.249
149 HE2 TYR 21 2HE TYR 21 -6.999 1.868 4.997
150 HH TYR 21 HH TYR 21 -9.614 -0.416 4.262
151 H ALA 22 H ALA 22 -2.849 1.283 -1.400
152 HA ALA 22 HA ALA 22 -3.357 -1.197 -2.732
153 1HB ALA 22 1HB ALA 22 -3.222 1.132 -3.749
154 2HB ALA 22 2HB ALA 22 -1.459 1.045 -3.575
155 3HB ALA 22 3HB ALA 22 -2.313 -0.119 -4.615
156 H SER 23 H SER 23 -0.267 0.307 -1.597
157 HA SER 23 HA SER 23 1.427 -1.868 -2.275
158 1HB SER 23 1HB SER 23 1.842 0.640 -1.245
159 2HB SER 23 2HB SER 23 2.136 -0.347 0.188
160 HG SER 23 HG SER 23 3.433 -0.315 -2.304
161 H LEU 24 H LEU 24 -0.466 -1.269 0.682
162 HA LEU 24 HA LEU 24 0.442 -3.434 2.260
163 1HB LEU 24 1HB LEU 24 -2.033 -1.702 2.205
164 2HB LEU 24 2HB LEU 24 -2.051 -3.160 3.185
165 HG LEU 24 HG LEU 24 -0.050 -0.917 3.457
166 1HD1 LEU 24 1HD1 LEU 24 -2.668 -1.601 4.797
167 2HD1 LEU 24 2HD1 LEU 24 -1.415 -0.818 5.751
168 3HD1 LEU 24 3HD1 LEU 24 -2.017 -0.030 4.285
169 1HD2 LEU 24 1HD2 LEU 24 0.008 -3.673 4.446
170 2HD2 LEU 24 2HD2 LEU 24 1.221 -2.387 4.549
171 3HD2 LEU 24 3HD2 LEU 24 -0.035 -2.532 5.789
172 H ARG 25 H ARG 25 -2.493 -3.214 0.171
173 HA ARG 25 HA ARG 25 -3.239 -5.954 0.568
174 1HB ARG 25 1HB ARG 25 -4.531 -3.935 -0.611
175 2HB ARG 25 2HB ARG 25 -3.725 -4.549 -2.065
176 1HG ARG 25 1HG ARG 25 -4.614 -6.902 -1.189
177 2HG ARG 25 2HG ARG 25 -5.726 -5.922 -0.236
178 1HD ARG 25 1HD ARG 25 -6.871 -5.152 -2.113
179 2HD ARG 25 2HD ARG 25 -5.468 -5.347 -3.190
180 HE ARG 25 HE ARG 25 -6.024 -7.915 -2.395
181 1HH1 ARG 25 2HH2 ARG 25 -7.942 -5.483 -4.022
182 2HH1 ARG 25 1HH2 ARG 25 -8.866 -6.648 -4.928
183 1HH2 ARG 25 2HH1 ARG 25 -7.080 -9.366 -3.699
184 2HH2 ARG 25 1HH1 ARG 25 -8.377 -8.835 -4.732
185 H HIS 26 H HIS 26 -1.072 -4.442 -1.830
186 HA HIS 26 HA HIS 26 -0.439 -6.880 -3.178
187 1HB HIS 26 1HB HIS 26 -0.018 -4.354 -3.801
188 2HB HIS 26 2HB HIS 26 1.531 -4.603 -2.997
189 HD1 HIS 26 1HD HIS 26 1.290 -4.022 -6.145
190 HE1 HIS 26 1HE HIS 26 2.016 -8.170 -6.775
191 H TYR 27 H TYR 27 0.908 -5.378 -0.271
192 HA TYR 27 HA TYR 27 3.140 -7.032 0.208
193 1HB TYR 27 1HB TYR 27 1.798 -4.881 1.492
194 2HB TYR 27 2HB TYR 27 1.771 -6.166 2.662
195 HD1 TYR 27 1HD TYR 27 3.839 -3.877 0.678
196 HD2 TYR 27 2HD TYR 27 3.866 -7.062 3.570
197 HE1 TYR 27 1HE TYR 27 6.279 -3.494 1.093
198 HE2 TYR 27 2HE TYR 27 6.275 -6.665 4.015
199 HH TYR 27 HH TYR 27 8.102 -5.589 3.327
200 H LEU 28 H LEU 28 -0.240 -7.340 1.278
201 HA LEU 28 HA LEU 28 -0.022 -9.738 2.808
202 1HB LEU 28 1HB LEU 28 -2.068 -8.731 3.039
203 2HB LEU 28 2HB LEU 28 -2.176 -8.272 1.349
204 HG LEU 28 HG LEU 28 -2.656 -10.724 0.785
205 1HD1 LEU 28 1HD1 LEU 28 -3.210 -10.925 3.761
206 2HD1 LEU 28 2HD1 LEU 28 -3.488 -12.168 2.522
207 3HD1 LEU 28 3HD1 LEU 28 -1.836 -11.710 2.952
208 1HD2 LEU 28 1HD2 LEU 28 -4.416 -9.238 0.630
209 2HD2 LEU 28 2HD2 LEU 28 -4.996 -10.522 1.689
210 3HD2 LEU 28 3HD2 LEU 28 -4.496 -8.966 2.388
211 H ASN 29 H ASN 29 -0.487 -9.339 -0.746
212 HA ASN 29 HA ASN 29 -0.471 -12.201 -1.222
213 1HB ASN 29 1HB ASN 29 -0.980 -9.849 -2.746
214 2HB ASN 29 2HB ASN 29 0.394 -10.627 -3.521
215 1HD2 ASN 29 1HD2 ASN 29 -2.963 -10.544 -3.511
216 2HD2 ASN 29 2HD2 ASN 29 -3.156 -12.157 -4.228
217 H LEU 30 H LEU 30 2.053 -10.033 -0.468
218 HA LEU 30 HA LEU 30 4.164 -11.575 -1.795
219 1HB LEU 30 1HB LEU 30 3.807 -8.860 -0.919
220 2HB LEU 30 2HB LEU 30 5.054 -9.502 0.104
221 HG LEU 30 HG LEU 30 5.681 -10.387 -2.558
222 1HD1 LEU 30 1HD1 LEU 30 5.193 -7.398 -2.555
223 2HD1 LEU 30 2HD1 LEU 30 5.638 -8.466 -3.910
224 3HD1 LEU 30 3HD1 LEU 30 4.020 -8.552 -3.208
225 1HD2 LEU 30 1HD2 LEU 30 7.204 -9.689 -0.605
226 2HD2 LEU 30 2HD2 LEU 30 7.696 -9.290 -2.240
227 3HD2 LEU 30 3HD2 LEU 30 6.987 -8.039 -1.188
228 H VAL 31 H VAL 31 3.493 -10.563 1.574
229 HA VAL 31 HA VAL 31 5.229 -12.654 2.696
230 HB VAL 31 HB VAL 31 3.364 -10.577 3.853
231 1HG1 VAL 31 1HG1 VAL 31 4.241 -11.256 6.147
232 2HG1 VAL 31 2HG1 VAL 31 3.022 -12.319 5.452
233 3HG1 VAL 31 3HG1 VAL 31 4.731 -12.796 5.415
234 1HG2 VAL 31 1HG2 VAL 31 6.280 -11.016 4.541
235 2HG2 VAL 31 2HG2 VAL 31 5.857 -10.233 3.013
236 3HG2 VAL 31 3HG2 VAL 31 5.330 -9.513 4.539
237 H THR 32 H THR 32 1.960 -12.597 1.554
238 HA THR 32 HA THR 32 0.213 -14.014 1.657
239 HB THR 32 HB THR 32 1.621 -15.072 0.099
240 HG1 THR 32 1HG THR 32 0.797 -17.196 0.341
241 1HG2 THR 32 1HG2 THR 32 2.816 -16.622 2.411
242 2HG2 THR 32 2HG2 THR 32 2.925 -17.146 0.710
243 3HG2 THR 32 3HG2 THR 32 3.640 -15.615 1.205
244 H ARG 33 H ARG 33 1.146 -13.119 4.170
245 HA ARG 33 HA ARG 33 -0.359 -14.835 5.973
246 1HB ARG 33 1HB ARG 33 2.144 -15.809 5.559
247 2HB ARG 33 2HB ARG 33 2.544 -14.596 6.762
248 1HG ARG 33 1HG ARG 33 0.290 -15.713 7.895
249 2HG ARG 33 2HG ARG 33 0.854 -17.090 6.957
250 1HD ARG 33 1HD ARG 33 2.629 -17.458 8.356
251 2HD ARG 33 2HD ARG 33 2.962 -15.728 8.548
252 HE ARG 33 HE ARG 33 0.502 -16.600 9.844
253 1HH1 ARG 33 2HH2 ARG 33 3.882 -16.125 10.331
254 2HH1 ARG 33 1HH2 ARG 33 3.740 -15.764 12.045
255 1HH2 ARG 33 2HH1 ARG 33 0.288 -16.154 12.019
256 2HH2 ARG 33 1HH1 ARG 33 1.685 -15.844 12.992
257 H GLN 34 H GLN 34 -0.633 -12.089 5.348
258 HA GLN 34 HA GLN 34 -0.041 -10.863 7.981
259 1HB GLN 34 1HB GLN 34 1.389 -10.146 5.744
260 2HB GLN 34 2HB GLN 34 0.037 -9.040 5.600
261 1HG GLN 34 1HG GLN 34 0.867 -7.714 7.252
262 2HG GLN 34 2HG GLN 34 1.040 -9.067 8.371
263 1HE2 GLN 34 1HE2 GLN 34 2.697 -7.509 5.526
264 2HE2 GLN 34 2HE2 GLN 34 4.280 -8.043 6.124
265 H ARG 35 H ARG 35 -1.396 -8.908 8.363
266 HA ARG 35 HA ARG 35 -4.162 -9.474 8.115
267 1HB ARG 35 1HB ARG 35 -4.493 -7.320 9.153
268 2HB ARG 35 2HB ARG 35 -3.098 -8.091 9.885
269 1HG ARG 35 1HG ARG 35 -2.003 -6.132 9.525
270 2HG ARG 35 2HG ARG 35 -1.887 -6.622 7.841
271 1HD ARG 35 1HD ARG 35 -2.783 -4.429 7.795
272 2HD ARG 35 2HD ARG 35 -4.151 -5.503 7.475
273 HE ARG 35 HE ARG 35 -3.754 -4.853 10.296
274 1HH1 ARG 35 2HH2 ARG 35 -5.648 -3.988 7.449
275 2HH1 ARG 35 1HH2 ARG 35 -6.496 -2.725 8.296
276 1HH2 ARG 35 2HH1 ARG 35 -5.085 -3.522 11.389
277 2HH2 ARG 35 1HH1 ARG 35 -6.266 -2.541 10.577
278 H TYR 36 H TYR 36 -5.817 -8.226 7.085
279 HA TYR 36 HA TYR 36 -5.232 -7.704 4.273
280 1HB TYR 36 1HB TYR 36 -7.465 -8.612 5.772
281 2HB TYR 36 2HB TYR 36 -7.963 -7.088 5.084
282 HD1 TYR 36 1HD TYR 36 -6.867 -10.552 4.373
283 HD2 TYR 36 2HD TYR 36 -8.167 -6.824 2.638
284 HE1 TYR 36 1HE TYR 36 -7.222 -11.689 2.192
285 HE2 TYR 36 2HE TYR 36 -8.481 -7.962 0.437
286 HH TYR 36 HH TYR 36 -7.723 -11.420 -0.025
287 1HN NH2 37 NH1 NHE 37 -4.753 -5.701 3.385
288 2HN NH2 37 NH2 NHE 37 -5.168 -4.191 4.198
Start of MODEL 17
1 1H TYR 1 1H TYR 1 12.323 -13.770 10.156
2 2H TYR 1 2H TYR 1 10.890 -14.237 9.473
3 3H TYR 1 3H TYR 1 11.593 -12.828 9.006
4 HA TYR 1 HA TYR 1 10.191 -13.412 11.482
5 1HB TYR 1 1HB TYR 1 12.493 -11.525 11.075
6 2HB TYR 1 2HB TYR 1 11.176 -10.990 12.083
7 HD1 TYR 1 1HD TYR 1 14.282 -12.511 12.281
8 HD2 TYR 1 2HD TYR 1 10.261 -13.011 13.789
9 HE1 TYR 1 1HE TYR 1 15.149 -13.761 14.243
10 HE2 TYR 1 2HE TYR 1 11.142 -14.260 15.724
11 HH TYR 1 HH TYR 1 14.627 -14.731 16.283
12 HA PRO 2 HA PRO 2 7.239 -10.702 9.509
13 1HB PRO 2 1HB PRO 2 6.121 -9.350 11.675
14 2HB PRO 2 2HB PRO 2 5.710 -11.017 11.190
15 1HG PRO 2 1HG PRO 2 7.368 -10.094 13.484
16 2HG PRO 2 2HG PRO 2 6.445 -11.612 13.282
17 1HD PRO 2 1HD PRO 2 9.238 -11.190 12.942
18 2HD PRO 2 2HD PRO 2 8.332 -12.687 12.567
19 H ALA 3 H ALA 3 6.611 -8.329 9.406
20 HA ALA 3 HA ALA 3 8.629 -6.398 10.220
21 1HB ALA 3 1HB ALA 3 9.769 -6.514 8.267
22 2HB ALA 3 2HB ALA 3 8.550 -7.534 7.483
23 3HB ALA 3 3HB ALA 3 8.357 -5.773 7.496
24 H LYS 4 H LYS 4 7.917 -4.212 9.412
25 HA LYS 4 HA LYS 4 4.985 -3.987 9.756
26 1HB LYS 4 1HB LYS 4 5.380 -1.751 10.593
27 2HB LYS 4 2HB LYS 4 6.352 -2.918 11.456
28 1HG LYS 4 1HG LYS 4 7.662 -0.966 11.143
29 2HG LYS 4 2HG LYS 4 8.361 -2.211 10.107
30 1HD LYS 4 1HD LYS 4 7.773 -1.113 8.166
31 2HD LYS 4 2HD LYS 4 6.286 -0.497 8.861
32 1HE LYS 4 1HE LYS 4 7.099 1.469 9.260
33 2HE LYS 4 2HE LYS 4 8.457 0.807 10.187
34 1HZ LYS 4 1HZ LYS 4 8.539 1.970 7.671
35 2HZ LYS 4 2HZ LYS 4 9.774 1.271 8.478
36 3HZ LYS 4 3HZ LYS 4 8.856 0.382 7.434
37 HA PRO 5 HA PRO 5 4.602 -2.524 5.574
38 1HB PRO 5 1HB PRO 5 2.424 -0.859 5.763
39 2HB PRO 5 2HB PRO 5 2.339 -2.636 5.777
40 1HG PRO 5 1HG PRO 5 2.109 -0.731 8.094
41 2HG PRO 5 2HG PRO 5 1.340 -2.336 7.856
42 1HD PRO 5 1HD PRO 5 3.607 -1.681 9.386
43 2HD PRO 5 2HD PRO 5 3.087 -3.335 8.939
44 H GLU 6 H GLU 6 5.612 -0.992 4.380
45 HA GLU 6 HA GLU 6 7.099 1.069 5.563
46 1HB GLU 6 1HB GLU 6 7.233 -0.118 3.236
47 2HB GLU 6 2HB GLU 6 6.242 1.208 2.662
48 1HG GLU 6 1HG GLU 6 7.902 2.782 2.876
49 2HG GLU 6 2HG GLU 6 8.570 2.045 4.326
50 H ALA 7 H ALA 7 6.965 3.409 5.425
51 HA ALA 7 HA ALA 7 4.435 4.568 4.704
52 1HB ALA 7 1HB ALA 7 5.331 4.662 7.616
53 2HB ALA 7 2HB ALA 7 3.903 5.468 6.913
54 3HB ALA 7 3HB ALA 7 3.968 3.698 6.992
55 HA PRO 8 HA PRO 8 7.509 7.783 4.042
56 1HB PRO 8 1HB PRO 8 5.777 9.901 3.573
57 2HB PRO 8 2HB PRO 8 6.263 8.681 2.364
58 1HG PRO 8 1HG PRO 8 3.663 8.900 3.827
59 2HG PRO 8 2HG PRO 8 4.022 8.161 2.239
60 1HD PRO 8 1HD PRO 8 3.650 6.903 4.758
61 2HD PRO 8 2HD PRO 8 4.199 6.133 3.238
62 H GLY 9 H GLY 9 8.347 9.554 5.201
63 1HA GLY 9 1HA GLY 9 7.789 9.683 8.028
64 2HA GLY 9 2HA GLY 9 8.922 10.689 7.121
65 H GLU 10 H GLU 10 8.291 12.602 8.237
66 HA GLU 10 HA GLU 10 5.542 13.525 8.183
67 1HB GLU 10 1HB GLU 10 7.720 14.105 9.738
68 2HB GLU 10 2HB GLU 10 7.689 15.540 8.749
69 1HG GLU 10 1HG GLU 10 5.037 14.638 9.897
70 2HG GLU 10 2HG GLU 10 6.266 15.060 11.056
71 H ASP 11 H ASP 11 6.322 12.855 5.606
72 HA ASP 11 HA ASP 11 5.762 15.294 4.114
73 1HB ASP 11 1HB ASP 11 8.494 14.058 4.090
74 2HB ASP 11 2HB ASP 11 7.805 14.391 2.509
75 H ALA 12 H ALA 12 3.870 14.239 3.688
76 HA ALA 12 HA ALA 12 3.850 12.644 1.299
77 1HB ALA 12 1HB ALA 12 2.297 10.931 2.871
78 2HB ALA 12 2HB ALA 12 3.913 10.651 2.206
79 3HB ALA 12 3HB ALA 12 3.735 11.240 3.873
80 H SER 13 H SER 13 2.275 13.562 0.229
81 HA SER 13 HA SER 13 0.201 15.162 1.414
82 1HB SER 13 1HB SER 13 -0.221 15.803 -0.714
83 2HB SER 13 2HB SER 13 1.310 15.006 -1.074
84 HG SER 13 HG SER 13 -0.402 14.308 -2.459
85 HA PRO 14 HA PRO 14 -3.026 12.221 2.152
86 1HB PRO 14 1HB PRO 14 -5.299 13.219 0.897
87 2HB PRO 14 2HB PRO 14 -4.625 13.804 2.441
88 1HG PRO 14 1HG PRO 14 -4.486 15.072 -0.252
89 2HG PRO 14 2HG PRO 14 -4.430 15.835 1.368
90 1HD PRO 14 1HD PRO 14 -2.280 15.249 -0.370
91 2HD PRO 14 2HD PRO 14 -2.128 15.790 1.324
92 H GLU 15 H GLU 15 -2.055 12.811 -1.117
93 HA GLU 15 HA GLU 15 -3.568 10.633 -2.341
94 1HB GLU 15 1HB GLU 15 -2.113 12.902 -3.200
95 2HB GLU 15 2HB GLU 15 -1.137 11.542 -3.740
96 1HG GLU 15 1HG GLU 15 -2.896 10.678 -5.082
97 2HG GLU 15 2HG GLU 15 -4.132 11.598 -4.211
98 H GLU 16 H GLU 16 -0.442 11.018 -0.700
99 HA GLU 16 HA GLU 16 0.594 8.486 -1.635
100 1HB GLU 16 1HB GLU 16 1.671 10.656 -0.265
101 2HB GLU 16 2HB GLU 16 1.573 9.442 1.005
102 1HG GLU 16 1HG GLU 16 3.194 8.114 0.057
103 2HG GLU 16 2HG GLU 16 2.664 8.429 -1.583
104 H LEU 17 H LEU 17 -1.543 9.442 1.036
105 HA LEU 17 HA LEU 17 -1.455 6.957 2.420
106 1HB LEU 17 1HB LEU 17 -2.634 9.307 2.910
107 2HB LEU 17 2HB LEU 17 -4.027 8.527 2.188
108 HG LEU 17 HG LEU 17 -3.963 8.437 4.638
109 1HD1 LEU 17 1HD1 LEU 17 -5.107 6.523 4.669
110 2HD1 LEU 17 2HD1 LEU 17 -4.647 6.297 2.986
111 3HD1 LEU 17 3HD1 LEU 17 -3.682 5.540 4.262
112 1HD2 LEU 17 1HD2 LEU 17 -1.674 6.465 4.635
113 2HD2 LEU 17 2HD2 LEU 17 -1.355 8.204 4.655
114 3HD2 LEU 17 3HD2 LEU 17 -2.316 7.474 5.949
115 H SER 18 H SER 18 -3.363 7.904 -0.468
116 HA SER 18 HA SER 18 -4.784 5.383 -0.585
117 1HB SER 18 1HB SER 18 -5.615 6.012 -2.669
118 2HB SER 18 2HB SER 18 -5.527 7.495 -1.717
119 HG SER 18 HG SER 18 -3.260 7.091 -3.211
120 H ARG 19 H ARG 19 -1.532 6.233 -1.383
121 HA ARG 19 HA ARG 19 -1.018 4.004 -3.212
122 1HB ARG 19 1HB ARG 19 0.924 5.078 -3.582
123 2HB ARG 19 2HB ARG 19 0.214 6.396 -2.704
124 1HG ARG 19 1HG ARG 19 2.181 6.307 -1.626
125 2HG ARG 19 2HG ARG 19 1.363 5.193 -0.566
126 1HD ARG 19 1HD ARG 19 2.595 3.439 -1.141
127 2HD ARG 19 2HD ARG 19 2.602 3.861 -2.866
128 HE ARG 19 HE ARG 19 4.165 5.707 -1.266
129 1HH1 ARG 19 2HH2 ARG 19 4.327 2.625 -2.851
130 2HH1 ARG 19 1HH2 ARG 19 6.042 2.658 -3.090
131 1HH2 ARG 19 2HH1 ARG 19 6.378 5.813 -1.590
132 2HH2 ARG 19 1HH1 ARG 19 7.201 4.509 -2.345
133 H TYR 20 H TYR 20 -1.014 4.538 0.236
134 HA TYR 20 HA TYR 20 0.697 2.328 0.981
135 1HB TYR 20 1HB TYR 20 0.409 4.264 2.434
136 2HB TYR 20 2HB TYR 20 -1.323 4.014 2.514
137 HD1 TYR 20 1HD TYR 20 1.927 2.758 3.714
138 HD2 TYR 20 2HD TYR 20 -2.361 2.288 3.861
139 HE1 TYR 20 1HE TYR 20 2.138 1.338 5.744
140 HE2 TYR 20 2HE TYR 20 -2.147 0.815 5.830
141 HH TYR 20 HH TYR 20 -0.648 -0.448 7.031
142 H TYR 21 H TYR 21 -2.826 2.824 1.258
143 HA TYR 21 HA TYR 21 -3.631 0.232 2.041
144 1HB TYR 21 1HB TYR 21 -4.853 2.634 0.755
145 2HB TYR 21 2HB TYR 21 -5.665 1.132 0.394
146 HD1 TYR 21 1HD TYR 21 -4.364 3.066 3.370
147 HD2 TYR 21 2HD TYR 21 -7.317 0.338 1.807
148 HE1 TYR 21 1HE TYR 21 -5.595 3.148 5.536
149 HE2 TYR 21 2HE TYR 21 -8.587 0.491 3.917
150 HH TYR 21 HH TYR 21 -8.660 1.364 6.006
151 H ALA 22 H ALA 22 -2.816 1.441 -1.193
152 HA ALA 22 HA ALA 22 -3.640 -0.924 -2.628
153 1HB ALA 22 1HB ALA 22 -1.530 1.109 -3.455
154 2HB ALA 22 2HB ALA 22 -2.576 0.123 -4.494
155 3HB ALA 22 3HB ALA 22 -3.267 1.454 -3.534
156 H SER 23 H SER 23 -0.491 0.251 -1.338
157 HA SER 23 HA SER 23 1.099 -1.971 -2.100
158 1HB SER 23 1HB SER 23 1.602 0.392 -0.766
159 2HB SER 23 2HB SER 23 1.739 -0.793 0.545
160 HG SER 23 HG SER 23 3.709 -0.616 -0.473
161 H LEU 24 H LEU 24 -0.962 -1.487 0.798
162 HA LEU 24 HA LEU 24 -0.276 -3.732 2.276
163 1HB LEU 24 1HB LEU 24 -2.714 -2.074 1.995
164 2HB LEU 24 2HB LEU 24 -3.053 -3.696 2.564
165 HG LEU 24 HG LEU 24 -1.038 -1.841 3.878
166 1HD1 LEU 24 1HD1 LEU 24 -3.048 -0.765 4.299
167 2HD1 LEU 24 2HD1 LEU 24 -4.014 -2.243 4.196
168 3HD1 LEU 24 3HD1 LEU 24 -3.052 -1.928 5.645
169 1HD2 LEU 24 1HD2 LEU 24 -0.768 -4.374 4.252
170 2HD2 LEU 24 2HD2 LEU 24 -1.042 -3.405 5.699
171 3HD2 LEU 24 3HD2 LEU 24 -2.374 -4.348 4.991
172 H ARG 25 H ARG 25 -2.707 -3.732 -0.356
173 HA ARG 25 HA ARG 25 -3.213 -6.558 -0.231
174 1HB ARG 25 1HB ARG 25 -4.006 -4.344 -1.937
175 2HB ARG 25 2HB ARG 25 -3.377 -5.618 -2.966
176 1HG ARG 25 1HG ARG 25 -4.938 -7.136 -1.319
177 2HG ARG 25 2HG ARG 25 -5.811 -5.610 -1.215
178 1HD ARG 25 1HD ARG 25 -5.012 -6.653 -3.955
179 2HD ARG 25 2HD ARG 25 -6.270 -7.498 -3.075
180 HE ARG 25 HE ARG 25 -7.737 -5.802 -3.422
181 1HH1 ARG 25 2HH2 ARG 25 -4.587 -4.485 -4.219
182 2HH1 ARG 25 1HH2 ARG 25 -5.234 -3.009 -4.862
183 1HH2 ARG 25 2HH1 ARG 25 -8.540 -3.926 -4.246
184 2HH2 ARG 25 1HH1 ARG 25 -7.465 -2.683 -4.819
185 H HIS 26 H HIS 26 -0.778 -4.701 -1.999
186 HA HIS 26 HA HIS 26 0.361 -6.996 -3.333
187 1HB HIS 26 1HB HIS 26 0.540 -4.302 -3.713
188 2HB HIS 26 2HB HIS 26 2.039 -4.561 -2.834
189 HD1 HIS 26 1HD HIS 26 3.890 -4.624 -4.741
190 HE1 HIS 26 1HE HIS 26 1.917 -7.151 -7.539
191 H TYR 27 H TYR 27 0.795 -5.547 -0.202
192 HA TYR 27 HA TYR 27 3.171 -6.905 0.605
193 1HB TYR 27 1HB TYR 27 1.895 -4.742 1.508
194 2HB TYR 27 2HB TYR 27 1.127 -5.898 2.572
195 HD1 TYR 27 1HD TYR 27 4.375 -4.561 1.374
196 HD2 TYR 27 2HD TYR 27 2.311 -6.665 4.521
197 HE1 TYR 27 1HE TYR 27 6.412 -4.407 2.817
198 HE2 TYR 27 2HE TYR 27 4.335 -6.510 5.959
199 HH TYR 27 HH TYR 27 6.736 -6.241 5.724
200 H LEU 28 H LEU 28 -0.301 -7.452 1.322
201 HA LEU 28 HA LEU 28 -0.048 -9.884 2.787
202 1HB LEU 28 1HB LEU 28 -2.147 -8.945 2.942
203 2HB LEU 28 2HB LEU 28 -2.154 -8.418 1.269
204 HG LEU 28 HG LEU 28 -2.557 -10.817 0.563
205 1HD1 LEU 28 1HD1 LEU 28 -3.538 -12.327 2.278
206 2HD1 LEU 28 2HD1 LEU 28 -1.834 -11.992 2.618
207 3HD1 LEU 28 3HD1 LEU 28 -3.099 -11.169 3.549
208 1HD2 LEU 28 1HD2 LEU 28 -4.311 -8.942 0.892
209 2HD2 LEU 28 2HD2 LEU 28 -4.846 -10.618 0.738
210 3HD2 LEU 28 3HD2 LEU 28 -4.793 -9.851 2.341
211 H ASN 29 H ASN 29 -0.274 -9.348 -0.758
212 HA ASN 29 HA ASN 29 0.060 -12.179 -1.337
213 1HB ASN 29 1HB ASN 29 0.094 -9.652 -3.002
214 2HB ASN 29 2HB ASN 29 0.528 -11.217 -3.696
215 1HD2 ASN 29 1HD2 ASN 29 -1.860 -9.360 -4.102
216 2HD2 ASN 29 2HD2 ASN 29 -3.177 -10.536 -3.987
217 H LEU 30 H LEU 30 2.339 -9.926 -0.225
218 HA LEU 30 HA LEU 30 4.631 -11.186 -1.602
219 1HB LEU 30 1HB LEU 30 5.088 -9.010 -1.500
220 2HB LEU 30 2HB LEU 30 4.117 -8.685 -0.108
221 HG LEU 30 HG LEU 30 6.610 -10.227 0.473
222 1HD1 LEU 30 1HD1 LEU 30 7.670 -8.815 -1.010
223 2HD1 LEU 30 2HD1 LEU 30 6.611 -7.437 -0.661
224 3HD1 LEU 30 3HD1 LEU 30 7.824 -7.948 0.530
225 1HD2 LEU 30 1HD2 LEU 30 6.585 -8.979 2.482
226 2HD2 LEU 30 2HD2 LEU 30 5.531 -7.717 1.803
227 3HD2 LEU 30 3HD2 LEU 30 4.886 -9.322 2.170
228 H VAL 31 H VAL 31 2.989 -11.190 1.543
229 HA VAL 31 HA VAL 31 4.995 -12.808 2.863
230 HB VAL 31 HB VAL 31 2.074 -12.496 3.639
231 1HG1 VAL 31 1HG1 VAL 31 4.487 -13.679 4.975
232 2HG1 VAL 31 2HG1 VAL 31 3.473 -12.659 5.994
233 3HG1 VAL 31 3HG1 VAL 31 2.762 -14.058 5.179
234 1HG2 VAL 31 1HG2 VAL 31 2.715 -10.643 5.046
235 2HG2 VAL 31 2HG2 VAL 31 4.429 -10.809 4.594
236 3HG2 VAL 31 3HG2 VAL 31 3.227 -10.265 3.423
237 H THR 32 H THR 32 2.942 -13.628 0.387
238 HA THR 32 HA THR 32 2.849 -16.528 1.089
239 HB THR 32 HB THR 32 0.711 -15.249 0.741
240 HG1 THR 32 1HG THR 32 -0.179 -17.030 -0.147
241 1HG2 THR 32 1HG2 THR 32 0.594 -15.727 -2.136
242 2HG2 THR 32 2HG2 THR 32 0.116 -14.307 -1.194
243 3HG2 THR 32 3HG2 THR 32 1.796 -14.500 -1.753
244 H ARG 33 H ARG 33 5.131 -14.980 -0.056
245 HA ARG 33 HA ARG 33 5.910 -16.981 -2.040
246 1HB ARG 33 1HB ARG 33 4.579 -15.093 -3.257
247 2HB ARG 33 2HB ARG 33 5.974 -14.073 -2.928
248 1HG ARG 33 1HG ARG 33 6.136 -14.960 -5.155
249 2HG ARG 33 2HG ARG 33 7.415 -15.740 -4.222
250 1HD ARG 33 1HD ARG 33 6.284 -17.808 -4.124
251 2HD ARG 33 2HD ARG 33 4.716 -17.073 -4.519
252 HE ARG 33 HE ARG 33 6.474 -16.575 -6.667
253 1HH1 ARG 33 2HH2 ARG 33 4.818 -19.288 -5.277
254 2HH1 ARG 33 1HH2 ARG 33 4.615 -20.133 -6.787
255 1HH2 ARG 33 2HH1 ARG 33 6.367 -17.715 -8.602
256 2HH2 ARG 33 1HH1 ARG 33 5.488 -19.200 -8.673
257 H GLN 34 H GLN 34 6.934 -16.428 0.536
258 HA GLN 34 HA GLN 34 9.678 -15.595 -0.193
259 1HB GLN 34 1HB GLN 34 8.028 -13.857 1.213
260 2HB GLN 34 2HB GLN 34 8.815 -14.752 2.513
261 1HG GLN 34 1HG GLN 34 11.000 -14.218 0.959
262 2HG GLN 34 2HG GLN 34 9.974 -12.874 0.470
263 1HE2 GLN 34 1HE2 GLN 34 12.040 -14.179 2.979
264 2HE2 GLN 34 2HE2 GLN 34 11.738 -12.838 4.097
265 H ARG 35 H ARG 35 11.302 -16.525 0.948
266 HA ARG 35 HA ARG 35 10.724 -18.620 2.973
267 1HB ARG 35 1HB ARG 35 11.788 -18.966 0.186
268 2HB ARG 35 2HB ARG 35 12.665 -19.838 1.440
269 1HG ARG 35 1HG ARG 35 9.645 -19.998 1.475
270 2HG ARG 35 2HG ARG 35 10.514 -20.892 0.227
271 1HD ARG 35 1HD ARG 35 11.617 -22.286 1.754
272 2HD ARG 35 2HD ARG 35 11.495 -21.120 3.072
273 HE ARG 35 HE ARG 35 9.552 -22.120 3.740
274 1HH1 ARG 35 2HH2 ARG 35 9.887 -22.940 0.388
275 2HH1 ARG 35 1HH2 ARG 35 8.463 -23.940 0.354
276 1HH2 ARG 35 2HH1 ARG 35 7.674 -23.273 3.717
277 2HH2 ARG 35 1HH1 ARG 35 7.204 -24.077 2.253
278 H TYR 36 H TYR 36 11.566 -17.468 4.561
279 HA TYR 36 HA TYR 36 13.830 -15.866 4.732
280 1HB TYR 36 1HB TYR 36 12.159 -16.170 6.501
281 2HB TYR 36 2HB TYR 36 12.685 -17.833 6.741
282 HD1 TYR 36 1HD TYR 36 13.465 -14.291 7.380
283 HD2 TYR 36 2HD TYR 36 14.917 -18.337 7.733
284 HE1 TYR 36 1HE TYR 36 15.132 -13.543 9.072
285 HE2 TYR 36 2HE TYR 36 16.633 -17.579 9.376
286 HH TYR 36 HH TYR 36 16.844 -14.190 10.459
287 1HN NH2 37 NH1 NHE 37 15.859 -16.325 3.927
288 2HN NH2 37 NH2 NHE 37 16.655 -17.869 4.215
Start of MODEL 18
1 1H TYR 1 1H TYR 1 15.121 -7.413 12.723
2 2H TYR 1 2H TYR 1 15.963 -6.007 12.549
3 3H TYR 1 3H TYR 1 14.637 -6.066 13.523
4 HA TYR 1 HA TYR 1 14.117 -4.970 11.428
5 1HB TYR 1 1HB TYR 1 15.205 -7.579 10.392
6 2HB TYR 1 2HB TYR 1 13.925 -6.772 9.497
7 HD1 TYR 1 1HD TYR 1 14.169 -4.313 8.850
8 HD2 TYR 1 2HD TYR 1 17.487 -6.821 10.068
9 HE1 TYR 1 1HE TYR 1 15.763 -2.797 7.690
10 HE2 TYR 1 2HE TYR 1 19.053 -5.311 8.885
11 HH TYR 1 HH TYR 1 19.075 -3.646 7.134
12 HA PRO 2 HA PRO 2 10.382 -7.130 12.936
13 1HB PRO 2 1HB PRO 2 8.926 -4.840 13.513
14 2HB PRO 2 2HB PRO 2 9.982 -5.698 14.655
15 1HG PRO 2 1HG PRO 2 10.473 -3.127 13.251
16 2HG PRO 2 2HG PRO 2 11.174 -3.740 14.768
17 1HD PRO 2 1HD PRO 2 12.354 -3.723 12.156
18 2HD PRO 2 2HD PRO 2 13.016 -4.477 13.638
19 H ALA 3 H ALA 3 8.302 -7.281 11.972
20 HA ALA 3 HA ALA 3 8.184 -6.382 9.168
21 1HB ALA 3 1HB ALA 3 6.345 -7.982 8.983
22 2HB ALA 3 2HB ALA 3 7.772 -8.767 9.691
23 3HB ALA 3 3HB ALA 3 6.400 -8.295 10.728
24 H LYS 4 H LYS 4 7.338 -4.413 8.857
25 HA LYS 4 HA LYS 4 4.725 -3.786 10.022
26 1HB LYS 4 1HB LYS 4 5.436 -1.470 10.579
27 2HB LYS 4 2HB LYS 4 6.201 -2.679 11.578
28 1HG LYS 4 1HG LYS 4 7.802 -2.031 9.153
29 2HG LYS 4 2HG LYS 4 7.432 -0.610 10.098
30 1HD LYS 4 1HD LYS 4 8.395 -2.994 11.668
31 2HD LYS 4 2HD LYS 4 9.562 -2.320 10.545
32 1HE LYS 4 1HE LYS 4 8.034 -0.650 12.593
33 2HE LYS 4 2HE LYS 4 9.643 -1.328 12.879
34 1HZ LYS 4 1HZ LYS 4 9.792 0.931 12.064
35 2HZ LYS 4 2HZ LYS 4 10.437 -0.111 10.951
36 3HZ LYS 4 3HZ LYS 4 8.955 0.543 10.698
37 HA PRO 5 HA PRO 5 4.168 -2.338 5.856
38 1HB PRO 5 1HB PRO 5 2.156 -0.489 6.185
39 2HB PRO 5 2HB PRO 5 1.917 -2.251 6.164
40 1HG PRO 5 1HG PRO 5 1.881 -0.405 8.519
41 2HG PRO 5 2HG PRO 5 1.074 -1.987 8.298
42 1HD PRO 5 1HD PRO 5 3.455 -1.404 9.708
43 2HD PRO 5 2HD PRO 5 2.816 -3.031 9.322
44 H GLU 6 H GLU 6 5.183 -0.878 4.593
45 HA GLU 6 HA GLU 6 6.856 1.136 5.699
46 1HB GLU 6 1HB GLU 6 6.852 -0.158 3.354
47 2HB GLU 6 2HB GLU 6 5.933 1.244 2.816
48 1HG GLU 6 1HG GLU 6 7.826 2.453 2.630
49 2HG GLU 6 2HG GLU 6 8.219 2.210 4.312
50 H ALA 7 H ALA 7 6.736 3.469 5.541
51 HA ALA 7 HA ALA 7 4.288 4.677 4.659
52 1HB ALA 7 1HB ALA 7 4.991 4.984 7.602
53 2HB ALA 7 2HB ALA 7 3.543 5.572 6.746
54 3HB ALA 7 3HB ALA 7 3.772 3.835 7.009
55 HA PRO 8 HA PRO 8 7.519 7.774 4.113
56 1HB PRO 8 1HB PRO 8 5.898 9.931 3.420
57 2HB PRO 8 2HB PRO 8 6.454 8.650 2.308
58 1HG PRO 8 1HG PRO 8 3.750 8.997 3.535
59 2HG PRO 8 2HG PRO 8 4.215 8.194 2.005
60 1HD PRO 8 1HD PRO 8 3.590 7.025 4.517
61 2HD PRO 8 2HD PRO 8 4.260 6.191 3.082
62 H GLY 9 H GLY 9 8.274 9.676 5.180
63 1HA GLY 9 1HA GLY 9 7.546 9.974 7.963
64 2HA GLY 9 2HA GLY 9 8.722 10.942 7.061
65 H GLU 10 H GLU 10 7.926 12.862 8.125
66 HA GLU 10 HA GLU 10 5.201 13.800 7.878
67 1HB GLU 10 1HB GLU 10 7.729 14.664 9.104
68 2HB GLU 10 2HB GLU 10 6.846 16.024 8.478
69 1HG GLU 10 1HG GLU 10 5.274 13.996 10.065
70 2HG GLU 10 2HG GLU 10 6.472 14.912 10.941
71 H ASP 11 H ASP 11 6.339 13.052 5.349
72 HA ASP 11 HA ASP 11 5.822 15.436 3.701
73 1HB ASP 11 1HB ASP 11 8.459 13.942 3.767
74 2HB ASP 11 2HB ASP 11 7.850 14.574 2.241
75 H ALA 12 H ALA 12 3.880 14.342 3.244
76 HA ALA 12 HA ALA 12 3.993 12.682 0.916
77 1HB ALA 12 1HB ALA 12 4.154 10.718 1.915
78 2HB ALA 12 2HB ALA 12 3.687 11.320 3.527
79 3HB ALA 12 3HB ALA 12 2.443 10.907 2.326
80 H SER 13 H SER 13 2.461 13.522 -0.226
81 HA SER 13 HA SER 13 0.319 15.136 0.783
82 1HB SER 13 1HB SER 13 -0.050 15.651 -1.399
83 2HB SER 13 2HB SER 13 1.527 14.915 -1.631
84 HG SER 13 HG SER 13 0.602 13.156 -2.490
85 HA PRO 14 HA PRO 14 -2.956 12.243 1.502
86 1HB PRO 14 1HB PRO 14 -5.171 13.194 0.139
87 2HB PRO 14 2HB PRO 14 -4.551 13.858 1.673
88 1HG PRO 14 1HG PRO 14 -4.305 14.981 -1.074
89 2HG PRO 14 2HG PRO 14 -4.311 15.825 0.501
90 1HD PRO 14 1HD PRO 14 -2.090 15.159 -1.109
91 2HD PRO 14 2HD PRO 14 -2.009 15.773 0.569
92 H GLU 15 H GLU 15 -1.891 12.730 -1.789
93 HA GLU 15 HA GLU 15 -3.386 10.493 -2.916
94 1HB GLU 15 1HB GLU 15 -1.750 12.598 -3.945
95 2HB GLU 15 2HB GLU 15 -0.862 11.129 -4.288
96 1HG GLU 15 1HG GLU 15 -3.534 10.507 -5.012
97 2HG GLU 15 2HG GLU 15 -3.350 12.194 -5.455
98 H GLU 16 H GLU 16 -0.300 10.891 -1.196
99 HA GLU 16 HA GLU 16 0.735 8.309 -1.975
100 1HB GLU 16 1HB GLU 16 1.784 10.553 -0.778
101 2HB GLU 16 2HB GLU 16 1.655 9.480 0.614
102 1HG GLU 16 1HG GLU 16 3.201 7.961 -0.210
103 2HG GLU 16 2HG GLU 16 2.835 8.312 -1.894
104 H LEU 17 H LEU 17 -1.367 9.458 0.630
105 HA LEU 17 HA LEU 17 -1.357 7.088 2.197
106 1HB LEU 17 1HB LEU 17 -2.527 9.480 2.489
107 2HB LEU 17 2HB LEU 17 -3.887 8.658 1.746
108 HG LEU 17 HG LEU 17 -2.994 6.819 3.706
109 1HD1 LEU 17 1HD1 LEU 17 -2.506 7.943 5.698
110 2HD1 LEU 17 2HD1 LEU 17 -1.514 8.784 4.497
111 3HD1 LEU 17 3HD1 LEU 17 -3.033 9.529 5.060
112 1HD2 LEU 17 1HD2 LEU 17 -4.998 7.882 5.049
113 2HD2 LEU 17 2HD2 LEU 17 -5.258 8.804 3.551
114 3HD2 LEU 17 3HD2 LEU 17 -5.273 7.019 3.524
115 H SER 18 H SER 18 -3.217 7.888 -0.775
116 HA SER 18 HA SER 18 -4.740 5.438 -0.832
117 1HB SER 18 1HB SER 18 -3.922 7.132 -3.219
118 2HB SER 18 2HB SER 18 -5.317 6.050 -3.070
119 HG SER 18 HG SER 18 -5.937 7.536 -1.265
120 H ARG 19 H ARG 19 -1.437 6.190 -1.700
121 HA ARG 19 HA ARG 19 -0.959 3.831 -3.341
122 1HB ARG 19 1HB ARG 19 1.015 4.809 -3.768
123 2HB ARG 19 2HB ARG 19 0.333 6.206 -2.986
124 1HG ARG 19 1HG ARG 19 2.318 6.149 -1.931
125 2HG ARG 19 2HG ARG 19 1.481 5.133 -0.780
126 1HD ARG 19 1HD ARG 19 2.486 3.190 -1.452
127 2HD ARG 19 2HD ARG 19 2.911 3.835 -3.061
128 HE ARG 19 HE ARG 19 4.250 5.492 -1.321
129 1HH1 ARG 19 2HH2 ARG 19 4.284 2.057 -1.796
130 2HH1 ARG 19 1HH2 ARG 19 5.977 1.866 -1.425
131 1HH2 ARG 19 2HH1 ARG 19 6.369 5.274 -0.704
132 2HH2 ARG 19 1HH1 ARG 19 7.124 3.702 -0.735
133 H TYR 20 H TYR 20 -0.868 4.569 0.069
134 HA TYR 20 HA TYR 20 0.677 2.304 0.960
135 1HB TYR 20 1HB TYR 20 0.410 4.318 2.318
136 2HB TYR 20 2HB TYR 20 -1.324 4.083 2.394
137 HD1 TYR 20 1HD TYR 20 1.748 3.396 4.082
138 HD2 TYR 20 2HD TYR 20 -2.288 1.946 3.498
139 HE1 TYR 20 1HE TYR 20 1.881 2.088 6.194
140 HE2 TYR 20 2HE TYR 20 -2.109 0.620 5.547
141 HH TYR 20 HH TYR 20 -0.550 -0.283 7.020
142 H TYR 21 H TYR 21 -2.856 2.949 0.923
143 HA TYR 21 HA TYR 21 -3.742 0.472 1.902
144 1HB TYR 21 1HB TYR 21 -4.884 2.603 0.120
145 2HB TYR 21 2HB TYR 21 -5.735 1.075 0.166
146 HD1 TYR 21 1HD TYR 21 -5.836 4.212 1.545
147 HD2 TYR 21 2HD TYR 21 -5.908 0.068 2.730
148 HE1 TYR 21 1HE TYR 21 -7.134 4.814 3.593
149 HE2 TYR 21 2HE TYR 21 -7.166 0.668 4.781
150 HH TYR 21 HH TYR 21 -7.993 2.379 6.036
151 H ALA 22 H ALA 22 -2.944 1.315 -1.452
152 HA ALA 22 HA ALA 22 -3.587 -1.272 -2.548
153 1HB ALA 22 1HB ALA 22 -1.666 0.831 -3.642
154 2HB ALA 22 2HB ALA 22 -2.578 -0.401 -4.550
155 3HB ALA 22 3HB ALA 22 -3.429 0.948 -3.773
156 H SER 23 H SER 23 -0.542 0.199 -1.327
157 HA SER 23 HA SER 23 1.207 -2.007 -1.832
158 1HB SER 23 1HB SER 23 2.265 0.007 -1.356
159 2HB SER 23 2HB SER 23 1.261 0.338 0.062
160 HG SER 23 HG SER 23 3.312 -0.353 0.717
161 H LEU 24 H LEU 24 -0.943 -1.340 0.955
162 HA LEU 24 HA LEU 24 -0.139 -3.378 2.649
163 1HB LEU 24 1HB LEU 24 -2.612 -1.835 2.265
164 2HB LEU 24 2HB LEU 24 -2.956 -3.460 2.834
165 HG LEU 24 HG LEU 24 -1.133 -1.456 4.188
166 1HD1 LEU 24 1HD1 LEU 24 -3.539 -0.928 4.328
167 2HD1 LEU 24 2HD1 LEU 24 -3.888 -2.574 4.889
168 3HD1 LEU 24 3HD1 LEU 24 -2.942 -1.474 5.908
169 1HD2 LEU 24 1HD2 LEU 24 -1.117 -4.314 4.455
170 2HD2 LEU 24 2HD2 LEU 24 -0.293 -3.102 5.446
171 3HD2 LEU 24 3HD2 LEU 24 -1.909 -3.672 5.891
172 H ARG 25 H ARG 25 -2.787 -3.737 0.255
173 HA ARG 25 HA ARG 25 -2.947 -6.552 0.479
174 1HB ARG 25 1HB ARG 25 -4.285 -4.630 -1.035
175 2HB ARG 25 2HB ARG 25 -3.483 -5.608 -2.245
176 1HG ARG 25 1HG ARG 25 -5.188 -7.029 -2.073
177 2HG ARG 25 2HG ARG 25 -4.491 -7.599 -0.588
178 1HD ARG 25 1HD ARG 25 -5.978 -6.396 0.777
179 2HD ARG 25 2HD ARG 25 -6.271 -5.159 -0.436
180 HE ARG 25 HE ARG 25 -7.767 -7.583 -0.113
181 1HH1 ARG 25 2HH2 ARG 25 -6.712 -5.318 -2.537
182 2HH1 ARG 25 1HH2 ARG 25 -7.930 -5.766 -3.693
183 1HH2 ARG 25 2HH1 ARG 25 -9.350 -8.151 -1.602
184 2HH2 ARG 25 1HH1 ARG 25 -9.394 -7.394 -3.167
185 H HIS 26 H HIS 26 -0.791 -4.573 -1.470
186 HA HIS 26 HA HIS 26 0.349 -6.700 -2.998
187 1HB HIS 26 1HB HIS 26 0.517 -3.985 -3.061
188 2HB HIS 26 2HB HIS 26 2.052 -4.338 -2.289
189 HD1 HIS 26 1HD HIS 26 3.679 -3.898 -4.356
190 HE1 HIS 26 1HE HIS 26 1.799 -6.408 -7.233
191 H TYR 27 H TYR 27 0.866 -5.700 0.297
192 HA TYR 27 HA TYR 27 3.352 -7.085 0.759
193 1HB TYR 27 1HB TYR 27 1.915 -5.109 2.010
194 2HB TYR 27 2HB TYR 27 1.464 -6.467 3.009
195 HD1 TYR 27 1HD TYR 27 4.220 -4.378 1.746
196 HD2 TYR 27 2HD TYR 27 3.108 -7.539 4.441
197 HE1 TYR 27 1HE TYR 27 6.367 -4.058 2.992
198 HE2 TYR 27 2HE TYR 27 5.246 -7.189 5.738
199 HH TYR 27 HH TYR 27 6.935 -5.532 6.089
200 H LEU 28 H LEU 28 -0.032 -7.753 1.756
201 HA LEU 28 HA LEU 28 0.522 -10.420 2.717
202 1HB LEU 28 1HB LEU 28 -2.047 -10.721 2.194
203 2HB LEU 28 2HB LEU 28 -1.436 -9.850 3.568
204 HG LEU 28 HG LEU 28 -1.922 -8.184 1.198
205 1HD1 LEU 28 1HD1 LEU 28 -4.363 -7.986 1.762
206 2HD1 LEU 28 2HD1 LEU 28 -3.885 -9.506 0.973
207 3HD1 LEU 28 3HD1 LEU 28 -4.190 -9.464 2.731
208 1HD2 LEU 28 1HD2 LEU 28 -2.779 -7.822 4.101
209 2HD2 LEU 28 2HD2 LEU 28 -1.190 -7.341 3.493
210 3HD2 LEU 28 3HD2 LEU 28 -2.652 -6.572 2.848
211 H ASN 29 H ASN 29 -0.137 -9.217 -0.556
212 HA ASN 29 HA ASN 29 -0.195 -11.927 -1.675
213 1HB ASN 29 1HB ASN 29 -0.103 -9.119 -2.798
214 2HB ASN 29 2HB ASN 29 0.183 -10.507 -3.839
215 1HD2 ASN 29 1HD2 ASN 29 -2.030 -8.776 -4.264
216 2HD2 ASN 29 2HD2 ASN 29 -3.445 -9.804 -3.964
217 H LEU 30 H LEU 30 2.367 -9.934 -0.545
218 HA LEU 30 HA LEU 30 4.419 -11.142 -2.287
219 1HB LEU 30 1HB LEU 30 4.897 -8.906 -1.864
220 2HB LEU 30 2HB LEU 30 4.246 -8.941 -0.256
221 HG LEU 30 HG LEU 30 6.262 -10.356 0.436
222 1HD1 LEU 30 1HD1 LEU 30 7.754 -9.118 -1.847
223 2HD1 LEU 30 2HD1 LEU 30 8.071 -10.620 -0.934
224 3HD1 LEU 30 3HD1 LEU 30 6.829 -10.598 -2.191
225 1HD2 LEU 30 1HD2 LEU 30 6.720 -7.494 -0.410
226 2HD2 LEU 30 2HD2 LEU 30 5.907 -8.021 1.072
227 3HD2 LEU 30 3HD2 LEU 30 7.617 -8.408 0.823
228 H VAL 31 H VAL 31 3.156 -11.423 0.999
229 HA VAL 31 HA VAL 31 5.046 -13.692 1.502
230 HB VAL 31 HB VAL 31 3.417 -12.316 3.636
231 1HG1 VAL 31 1HG1 VAL 31 5.411 -14.452 3.607
232 2HG1 VAL 31 2HG1 VAL 31 6.021 -13.094 4.540
233 3HG1 VAL 31 3HG1 VAL 31 4.458 -13.815 4.957
234 1HG2 VAL 31 1HG2 VAL 31 4.640 -10.484 2.597
235 2HG2 VAL 31 2HG2 VAL 31 5.415 -10.899 4.123
236 3HG2 VAL 31 3HG2 VAL 31 6.137 -11.446 2.590
237 H THR 32 H THR 32 1.825 -13.202 0.640
238 HA THR 32 HA THR 32 -0.088 -14.394 0.675
239 HB THR 32 HB THR 32 1.063 -15.461 -1.046
240 HG1 THR 32 1HG THR 32 -0.746 -16.533 -0.869
241 1HG2 THR 32 1HG2 THR 32 2.260 -17.666 -0.689
242 2HG2 THR 32 2HG2 THR 32 3.124 -16.210 -0.175
243 3HG2 THR 32 3HG2 THR 32 2.332 -17.252 1.037
244 H ARG 33 H ARG 33 1.001 -13.887 3.257
245 HA ARG 33 HA ARG 33 -0.668 -15.606 4.903
246 1HB ARG 33 1HB ARG 33 1.745 -16.772 4.253
247 2HB ARG 33 2HB ARG 33 2.206 -15.897 5.699
248 1HG ARG 33 1HG ARG 33 -0.123 -16.952 6.602
249 2HG ARG 33 2HG ARG 33 0.164 -18.103 5.300
250 1HD ARG 33 1HD ARG 33 2.302 -17.457 7.385
251 2HD ARG 33 2HD ARG 33 0.995 -18.577 7.736
252 HE ARG 33 HE ARG 33 1.881 -20.175 6.362
253 1HH1 ARG 33 2HH2 ARG 33 3.685 -17.249 5.709
254 2HH1 ARG 33 1HH2 ARG 33 4.919 -18.071 4.790
255 1HH2 ARG 33 2HH1 ARG 33 3.494 -21.224 5.248
256 2HH2 ARG 33 1HH1 ARG 33 4.824 -20.313 4.620
257 H GLN 34 H GLN 34 -0.480 -12.761 4.622
258 HA GLN 34 HA GLN 34 0.344 -12.010 7.386
259 1HB GLN 34 1HB GLN 34 1.812 -11.293 5.247
260 2HB GLN 34 2HB GLN 34 0.678 -9.966 5.204
261 1HG GLN 34 1HG GLN 34 1.817 -10.607 7.919
262 2HG GLN 34 2HG GLN 34 2.977 -10.095 6.707
263 1HE2 GLN 34 1HE2 GLN 34 3.323 -7.909 6.589
264 2HE2 GLN 34 2HE2 GLN 34 2.115 -6.733 7.106
265 H ARG 35 H ARG 35 -1.676 -12.132 8.263
266 HA ARG 35 HA ARG 35 -3.712 -10.238 7.153
267 1HB ARG 35 1HB ARG 35 -4.005 -12.933 8.507
268 2HB ARG 35 2HB ARG 35 -5.235 -11.715 8.773
269 1HG ARG 35 1HG ARG 35 -6.225 -12.286 6.867
270 2HG ARG 35 2HG ARG 35 -4.877 -11.589 5.995
271 1HD ARG 35 1HD ARG 35 -3.926 -14.136 6.667
272 2HD ARG 35 2HD ARG 35 -5.638 -14.424 6.378
273 HE ARG 35 HE ARG 35 -3.570 -13.696 4.453
274 1HH1 ARG 35 2HH2 ARG 35 -7.051 -13.634 4.893
275 2HH1 ARG 35 1HH2 ARG 35 -7.340 -13.367 3.180
276 1HH2 ARG 35 2HH1 ARG 35 -4.035 -13.505 2.256
277 2HH2 ARG 35 1HH1 ARG 35 -5.692 -13.281 1.767
278 H TYR 36 H TYR 36 -4.950 -9.097 8.570
279 HA TYR 36 HA TYR 36 -3.549 -7.754 10.659
280 1HB TYR 36 1HB TYR 36 -5.409 -6.899 9.136
281 2HB TYR 36 2HB TYR 36 -6.550 -7.809 10.112
282 HD1 TYR 36 1HD TYR 36 -4.806 -4.713 9.712
283 HD2 TYR 36 2HD TYR 36 -6.566 -7.279 12.714
284 HE1 TYR 36 1HE TYR 36 -4.908 -2.803 11.289
285 HE2 TYR 36 2HE TYR 36 -6.641 -5.363 14.295
286 HH TYR 36 HH TYR 36 -5.207 -2.234 13.486
287 1HN NH2 37 NH1 NHE 37 -6.312 -10.153 10.851
288 2HN NH2 37 NH2 NHE 37 -5.995 -10.464 12.556
Start of MODEL 19
1 1H TYR 1 1H TYR 1 7.525 -5.418 2.873
2 2H TYR 1 2H TYR 1 8.290 -6.162 1.611
3 3H TYR 1 3H TYR 1 7.922 -7.004 2.988
4 HA TYR 1 HA TYR 1 10.297 -6.358 2.768
5 1HB TYR 1 1HB TYR 1 8.924 -3.681 2.931
6 2HB TYR 1 2HB TYR 1 10.470 -3.878 3.735
7 HD1 TYR 1 1HD TYR 1 8.855 -3.374 0.505
8 HD2 TYR 1 2HD TYR 1 12.495 -4.665 2.440
9 HE1 TYR 1 1HE TYR 1 10.087 -3.102 -1.618
10 HE2 TYR 1 2HE TYR 1 13.721 -4.393 0.298
11 HH TYR 1 HH TYR 1 12.259 -2.920 -2.530
12 HA PRO 2 HA PRO 2 9.853 -7.162 7.154
13 1HB PRO 2 1HB PRO 2 12.524 -7.209 7.865
14 2HB PRO 2 2HB PRO 2 11.692 -8.540 7.024
15 1HG PRO 2 1HG PRO 2 13.606 -6.526 5.917
16 2HG PRO 2 2HG PRO 2 13.286 -8.205 5.390
17 1HD PRO 2 1HD PRO 2 12.265 -5.798 4.257
18 2HD PRO 2 2HD PRO 2 11.762 -7.465 3.849
19 H ALA 3 H ALA 3 10.817 -6.164 9.238
20 HA ALA 3 HA ALA 3 10.875 -4.407 10.673
21 1HB ALA 3 1HB ALA 3 13.015 -3.821 10.153
22 2HB ALA 3 2HB ALA 3 12.651 -3.432 8.460
23 3HB ALA 3 3HB ALA 3 12.198 -2.308 9.741
24 H LYS 4 H LYS 4 8.562 -4.675 10.110
25 HA LYS 4 HA LYS 4 6.461 -3.859 10.058
26 1HB LYS 4 1HB LYS 4 7.805 -1.119 10.172
27 2HB LYS 4 2HB LYS 4 6.093 -1.354 10.361
28 1HG LYS 4 1HG LYS 4 8.182 -2.626 12.183
29 2HG LYS 4 2HG LYS 4 7.380 -1.102 12.503
30 1HD LYS 4 1HD LYS 4 5.416 -3.234 11.933
31 2HD LYS 4 2HD LYS 4 6.511 -3.675 13.248
32 1HE LYS 4 1HE LYS 4 5.990 -1.387 14.281
33 2HE LYS 4 2HE LYS 4 4.756 -1.198 13.035
34 1HZ LYS 4 1HZ LYS 4 3.562 -2.129 14.757
35 2HZ LYS 4 2HZ LYS 4 3.959 -3.484 13.948
36 3HZ LYS 4 3HZ LYS 4 4.805 -3.056 15.311
37 HA PRO 5 HA PRO 5 5.547 -3.254 5.839
38 1HB PRO 5 1HB PRO 5 3.065 -1.945 5.818
39 2HB PRO 5 2HB PRO 5 3.314 -3.692 6.018
40 1HG PRO 5 1HG PRO 5 2.592 -1.676 8.060
41 2HG PRO 5 2HG PRO 5 2.364 -3.450 8.081
42 1HD PRO 5 1HD PRO 5 4.353 -1.934 9.427
43 2HD PRO 5 2HD PRO 5 4.282 -3.715 9.312
44 H GLU 6 H GLU 6 5.017 -1.620 4.094
45 HA GLU 6 HA GLU 6 6.807 0.561 4.370
46 1HB GLU 6 1HB GLU 6 5.919 -0.668 2.237
47 2HB GLU 6 2HB GLU 6 4.582 0.481 2.312
48 1HG GLU 6 1HG GLU 6 5.846 2.210 1.606
49 2HG GLU 6 2HG GLU 6 7.210 1.808 2.635
50 H ALA 7 H ALA 7 6.317 2.901 4.220
51 HA ALA 7 HA ALA 7 3.709 3.681 5.318
52 1HB ALA 7 1HB ALA 7 6.252 4.587 6.707
53 2HB ALA 7 2HB ALA 7 4.575 4.654 7.288
54 3HB ALA 7 3HB ALA 7 5.412 3.099 7.192
55 HA PRO 8 HA PRO 8 4.639 7.227 2.745
56 1HB PRO 8 1HB PRO 8 2.897 9.092 3.775
57 2HB PRO 8 2HB PRO 8 2.386 7.706 2.766
58 1HG PRO 8 1HG PRO 8 2.118 8.049 5.729
59 2HG PRO 8 2HG PRO 8 1.068 7.171 4.576
60 1HD PRO 8 1HD PRO 8 3.050 6.051 6.261
61 2HD PRO 8 2HD PRO 8 2.235 5.231 4.897
62 H GLY 9 H GLY 9 5.938 9.079 2.775
63 1HA GLY 9 1HA GLY 9 6.589 10.546 5.166
64 2HA GLY 9 2HA GLY 9 7.877 9.421 4.686
65 H GLU 10 H GLU 10 7.628 12.421 4.601
66 HA GLU 10 HA GLU 10 8.501 14.124 3.399
67 1HB GLU 10 1HB GLU 10 10.099 12.316 2.463
68 2HB GLU 10 2HB GLU 10 9.082 12.328 1.030
69 1HG GLU 10 1HG GLU 10 10.760 13.845 0.494
70 2HG GLU 10 2HG GLU 10 9.427 14.889 0.977
71 H ASP 11 H ASP 11 6.578 15.208 3.311
72 HA ASP 11 HA ASP 11 4.613 16.041 2.549
73 1HB ASP 11 1HB ASP 11 6.143 16.838 0.732
74 2HB ASP 11 2HB ASP 11 5.642 15.468 -0.255
75 H ALA 12 H ALA 12 3.846 14.019 3.651
76 HA ALA 12 HA ALA 12 2.694 11.873 2.120
77 1HB ALA 12 1HB ALA 12 3.258 11.618 4.487
78 2HB ALA 12 2HB ALA 12 2.093 12.888 4.930
79 3HB ALA 12 3HB ALA 12 1.522 11.353 4.239
80 H SER 13 H SER 13 1.938 13.462 0.514
81 HA SER 13 HA SER 13 -0.305 15.118 0.748
82 1HB SER 13 1HB SER 13 0.021 15.431 -1.494
83 2HB SER 13 2HB SER 13 1.533 14.598 -1.166
84 HG SER 13 HG SER 13 0.859 13.186 -2.561
85 HA PRO 14 HA PRO 14 -3.832 12.426 0.666
86 1HB PRO 14 1HB PRO 14 -5.523 13.354 -1.306
87 2HB PRO 14 2HB PRO 14 -5.278 14.143 0.278
88 1HG PRO 14 1HG PRO 14 -4.199 14.937 -2.400
89 2HG PRO 14 2HG PRO 14 -4.621 15.963 -0.999
90 1HD PRO 14 1HD PRO 14 -2.059 15.101 -1.762
91 2HD PRO 14 2HD PRO 14 -2.466 15.830 -0.182
92 H GLU 15 H GLU 15 -1.902 12.655 -2.231
93 HA GLU 15 HA GLU 15 -3.071 10.315 -3.550
94 1HB GLU 15 1HB GLU 15 -1.318 12.429 -4.300
95 2HB GLU 15 2HB GLU 15 -0.327 10.970 -4.352
96 1HG GLU 15 1HG GLU 15 -2.026 9.863 -5.775
97 2HG GLU 15 2HG GLU 15 -3.052 11.301 -5.691
98 H GLU 16 H GLU 16 -0.520 10.979 -1.147
99 HA GLU 16 HA GLU 16 0.741 8.424 -1.324
100 1HB GLU 16 1HB GLU 16 1.032 10.801 0.300
101 2HB GLU 16 2HB GLU 16 0.833 9.436 1.380
102 1HG GLU 16 1HG GLU 16 3.060 9.219 1.136
103 2HG GLU 16 2HG GLU 16 2.643 8.342 -0.318
104 H LEU 17 H LEU 17 -2.217 9.480 0.328
105 HA LEU 17 HA LEU 17 -2.529 7.205 2.011
106 1HB LEU 17 1HB LEU 17 -4.095 9.468 1.319
107 2HB LEU 17 2HB LEU 17 -5.044 8.086 0.788
108 HG LEU 17 HG LEU 17 -4.471 7.093 3.163
109 1HD1 LEU 17 1HD1 LEU 17 -4.154 10.064 3.771
110 2HD1 LEU 17 2HD1 LEU 17 -4.013 8.703 4.901
111 3HD1 LEU 17 3HD1 LEU 17 -2.794 8.949 3.637
112 1HD2 LEU 17 1HD2 LEU 17 -6.665 8.656 2.191
113 2HD2 LEU 17 2HD2 LEU 17 -6.634 7.467 3.499
114 3HD2 LEU 17 3HD2 LEU 17 -6.349 9.181 3.850
115 H SER 18 H SER 18 -3.133 7.570 -1.441
116 HA SER 18 HA SER 18 -4.485 4.994 -1.785
117 1HB SER 18 1HB SER 18 -3.108 6.781 -3.833
118 2HB SER 18 2HB SER 18 -4.144 5.384 -4.188
119 HG SER 18 HG SER 18 -4.974 7.618 -2.662
120 H ARG 19 H ARG 19 -1.160 6.034 -1.509
121 HA ARG 19 HA ARG 19 0.057 3.671 -2.699
122 1HB ARG 19 1HB ARG 19 1.974 4.804 -2.426
123 2HB ARG 19 2HB ARG 19 0.956 6.164 -2.054
124 1HG ARG 19 1HG ARG 19 2.412 6.295 -0.331
125 2HG ARG 19 2HG ARG 19 1.232 5.318 0.493
126 1HD ARG 19 1HD ARG 19 2.625 3.609 0.752
127 2HD ARG 19 2HD ARG 19 3.134 3.661 -0.937
128 HE ARG 19 HE ARG 19 4.189 5.738 0.931
129 1HH1 ARG 19 2HH2 ARG 19 4.802 3.037 -1.085
130 2HH1 ARG 19 1HH2 ARG 19 6.435 2.835 -0.670
131 1HH2 ARG 19 2HH1 ARG 19 6.425 5.791 1.296
132 2HH2 ARG 19 1HH1 ARG 19 7.441 4.795 0.306
133 H TYR 20 H TYR 20 -1.080 4.597 0.488
134 HA TYR 20 HA TYR 20 0.155 2.438 1.958
135 1HB TYR 20 1HB TYR 20 -0.568 4.588 2.963
136 2HB TYR 20 2HB TYR 20 -2.250 4.186 2.636
137 HD1 TYR 20 1HD TYR 20 0.692 3.427 4.734
138 HD2 TYR 20 2HD TYR 20 -3.440 2.467 3.954
139 HE1 TYR 20 1HE TYR 20 0.552 2.232 6.916
140 HE2 TYR 20 2HE TYR 20 -3.576 1.272 6.116
141 HH TYR 20 HH TYR 20 -2.388 0.512 7.941
142 H TYR 21 H TYR 21 -3.179 3.003 0.826
143 HA TYR 21 HA TYR 21 -4.286 0.493 1.572
144 1HB TYR 21 1HB TYR 21 -4.975 2.657 -0.415
145 2HB TYR 21 2HB TYR 21 -5.786 1.109 -0.546
146 HD1 TYR 21 1HD TYR 21 -7.831 0.901 0.478
147 HD2 TYR 21 2HD TYR 21 -4.920 3.582 2.207
148 HE1 TYR 21 1HE TYR 21 -9.442 1.498 2.282
149 HE2 TYR 21 2HE TYR 21 -6.513 4.138 4.025
150 HH TYR 21 HH TYR 21 -8.506 3.442 5.068
151 H ALA 22 H ALA 22 -2.728 1.469 -1.541
152 HA ALA 22 HA ALA 22 -3.013 -1.111 -2.743
153 1HB ALA 22 1HB ALA 22 -1.705 -0.243 -4.482
154 2HB ALA 22 2HB ALA 22 -2.481 1.197 -3.819
155 3HB ALA 22 3HB ALA 22 -0.792 0.843 -3.408
156 H SER 23 H SER 23 -0.307 0.371 -0.863
157 HA SER 23 HA SER 23 1.471 -1.814 -0.954
158 1HB SER 23 1HB SER 23 2.333 0.200 -0.120
159 2HB SER 23 2HB SER 23 1.030 0.392 1.066
160 HG SER 23 HG SER 23 2.851 -1.783 1.167
161 H LEU 24 H LEU 24 -1.246 -1.255 1.368
162 HA LEU 24 HA LEU 24 -0.819 -3.463 3.013
163 1HB LEU 24 1HB LEU 24 -2.691 -2.718 3.958
164 2HB LEU 24 2HB LEU 24 -2.827 -1.547 2.673
165 HG LEU 24 HG LEU 24 -4.224 -3.291 1.392
166 1HD1 LEU 24 1HD1 LEU 24 -4.999 -5.202 2.386
167 2HD1 LEU 24 2HD1 LEU 24 -3.484 -5.114 3.294
168 3HD1 LEU 24 3HD1 LEU 24 -4.965 -4.516 4.027
169 1HD2 LEU 24 1HD2 LEU 24 -5.203 -1.322 2.420
170 2HD2 LEU 24 2HD2 LEU 24 -6.266 -2.726 2.544
171 3HD2 LEU 24 3HD2 LEU 24 -5.349 -2.177 3.968
172 H ARG 25 H ARG 25 -2.548 -3.465 -0.097
173 HA ARG 25 HA ARG 25 -3.077 -6.320 -0.105
174 1HB ARG 25 1HB ARG 25 -4.302 -4.530 -1.459
175 2HB ARG 25 2HB ARG 25 -2.873 -4.448 -2.494
176 1HG ARG 25 1HG ARG 25 -3.338 -7.161 -2.562
177 2HG ARG 25 2HG ARG 25 -4.961 -6.586 -2.209
178 1HD ARG 25 1HD ARG 25 -4.350 -4.868 -4.195
179 2HD ARG 25 2HD ARG 25 -3.216 -6.165 -4.629
180 HE ARG 25 HE ARG 25 -5.548 -7.535 -4.306
181 1HH1 ARG 25 2HH2 ARG 25 -4.891 -4.636 -6.140
182 2HH1 ARG 25 1HH2 ARG 25 -6.201 -4.881 -7.253
183 1HH2 ARG 25 2HH1 ARG 25 -7.190 -7.888 -5.811
184 2HH2 ARG 25 1HH1 ARG 25 -7.461 -6.727 -7.076
185 H HIS 26 H HIS 26 -0.547 -4.262 -1.575
186 HA HIS 26 HA HIS 26 0.851 -6.386 -2.852
187 1HB HIS 26 1HB HIS 26 1.077 -3.682 -2.908
188 2HB HIS 26 2HB HIS 26 2.422 -4.041 -1.840
189 HD1 HIS 26 1HD HIS 26 4.509 -3.832 -3.459
190 HE1 HIS 26 1HE HIS 26 3.070 -6.050 -6.788
191 H TYR 27 H TYR 27 0.924 -5.298 0.488
192 HA TYR 27 HA TYR 27 3.145 -6.827 1.384
193 1HB TYR 27 1HB TYR 27 1.695 -4.854 2.471
194 2HB TYR 27 2HB TYR 27 0.824 -6.185 3.192
195 HD1 TYR 27 1HD TYR 27 4.248 -4.858 2.590
196 HD2 TYR 27 2HD TYR 27 1.639 -7.029 5.242
197 HE1 TYR 27 1HE TYR 27 6.045 -4.879 4.362
198 HE2 TYR 27 2HE TYR 27 3.405 -7.018 7.002
199 HH TYR 27 HH TYR 27 5.567 -6.458 7.510
200 H LEU 28 H LEU 28 -0.373 -7.471 1.589
201 HA LEU 28 HA LEU 28 -0.241 -10.142 2.576
202 1HB LEU 28 1HB LEU 28 -2.348 -9.197 2.662
203 2HB LEU 28 2HB LEU 28 -2.209 -8.470 1.076
204 HG LEU 28 HG LEU 28 -2.509 -10.715 0.018
205 1HD1 LEU 28 1HD1 LEU 28 -1.818 -12.183 1.909
206 2HD1 LEU 28 2HD1 LEU 28 -3.231 -11.641 2.837
207 3HD1 LEU 28 3HD1 LEU 28 -3.436 -12.563 1.328
208 1HD2 LEU 28 1HD2 LEU 28 -4.794 -10.015 1.879
209 2HD2 LEU 28 2HD2 LEU 28 -4.350 -9.050 0.454
210 3HD2 LEU 28 3HD2 LEU 28 -4.861 -10.731 0.249
211 H ASN 29 H ASN 29 -0.228 -8.965 -0.830
212 HA ASN 29 HA ASN 29 0.133 -11.612 -1.920
213 1HB ASN 29 1HB ASN 29 -0.291 -8.926 -2.911
214 2HB ASN 29 2HB ASN 29 1.096 -9.596 -3.740
215 1HD2 ASN 29 1HD2 ASN 29 0.507 -10.582 -5.637
216 2HD2 ASN 29 2HD2 ASN 29 -1.077 -11.295 -5.888
217 H LEU 30 H LEU 30 2.416 -9.481 -0.472
218 HA LEU 30 HA LEU 30 4.798 -10.585 -1.758
219 1HB LEU 30 1HB LEU 30 5.116 -8.433 -1.164
220 2HB LEU 30 2HB LEU 30 4.108 -8.488 0.242
221 HG LEU 30 HG LEU 30 6.631 -10.027 0.548
222 1HD1 LEU 30 1HD1 LEU 30 6.676 -6.998 0.561
223 2HD1 LEU 30 2HD1 LEU 30 8.037 -8.158 0.832
224 3HD1 LEU 30 3HD1 LEU 30 7.313 -7.988 -0.761
225 1HD2 LEU 30 1HD2 LEU 30 4.826 -9.546 2.323
226 2HD2 LEU 30 2HD2 LEU 30 6.486 -9.146 2.787
227 3HD2 LEU 30 3HD2 LEU 30 5.346 -7.872 2.296
228 H VAL 31 H VAL 31 3.037 -11.138 1.267
229 HA VAL 31 HA VAL 31 4.872 -13.436 1.902
230 HB VAL 31 HB VAL 31 3.035 -11.713 3.545
231 1HG1 VAL 31 1HG1 VAL 31 3.548 -13.115 5.548
232 2HG1 VAL 31 2HG1 VAL 31 2.459 -13.893 4.409
233 3HG1 VAL 31 3HG1 VAL 31 4.161 -14.381 4.462
234 1HG2 VAL 31 1HG2 VAL 31 5.669 -12.416 4.648
235 2HG2 VAL 31 2HG2 VAL 31 5.822 -11.742 3.031
236 3HG2 VAL 31 3HG2 VAL 31 4.966 -10.831 4.289
237 H THR 32 H THR 32 1.862 -12.907 0.426
238 HA THR 32 HA THR 32 0.106 -14.157 -0.134
239 HB THR 32 HB THR 32 1.498 -15.228 -1.650
240 HG1 THR 32 1HG THR 32 -0.094 -16.886 -0.083
241 1HG2 THR 32 1HG2 THR 32 2.476 -17.114 0.525
242 2HG2 THR 32 2HG2 THR 32 2.787 -17.285 -1.216
243 3HG2 THR 32 3HG2 THR 32 3.437 -15.897 -0.349
244 H ARG 33 H ARG 33 0.654 -13.856 2.692
245 HA ARG 33 HA ARG 33 -1.333 -15.627 3.854
246 1HB ARG 33 1HB ARG 33 1.028 -16.909 3.510
247 2HB ARG 33 2HB ARG 33 1.406 -16.148 5.044
248 1HG ARG 33 1HG ARG 33 -0.578 -17.205 6.079
249 2HG ARG 33 2HG ARG 33 -1.144 -17.735 4.482
250 1HD ARG 33 1HD ARG 33 1.235 -18.923 4.405
251 2HD ARG 33 2HD ARG 33 1.086 -18.839 6.171
252 HE ARG 33 HE ARG 33 -1.310 -19.866 5.520
253 1HH1 ARG 33 2HH2 ARG 33 1.828 -20.861 4.357
254 2HH1 ARG 33 1HH2 ARG 33 1.345 -22.512 4.069
255 1HH2 ARG 33 2HH1 ARG 33 -1.946 -21.934 5.027
256 2HH2 ARG 33 1HH1 ARG 33 -0.795 -23.085 4.419
257 H GLN 34 H GLN 34 -0.987 -12.798 3.843
258 HA GLN 34 HA GLN 34 -0.675 -12.278 6.761
259 1HB GLN 34 1HB GLN 34 1.202 -11.444 4.998
260 2HB GLN 34 2HB GLN 34 0.107 -10.083 4.876
261 1HG GLN 34 1HG GLN 34 1.128 -9.272 6.719
262 2HG GLN 34 2HG GLN 34 0.261 -10.485 7.652
263 1HE2 GLN 34 1HE2 GLN 34 3.412 -9.578 6.262
264 2HE2 GLN 34 2HE2 GLN 34 4.252 -10.905 7.074
265 H ARG 35 H ARG 35 -2.901 -12.509 7.016
266 HA ARG 35 HA ARG 35 -4.867 -10.978 5.526
267 1HB ARG 35 1HB ARG 35 -4.941 -12.306 8.278
268 2HB ARG 35 2HB ARG 35 -6.248 -11.281 7.704
269 1HG ARG 35 1HG ARG 35 -7.091 -13.258 7.017
270 2HG ARG 35 2HG ARG 35 -6.227 -12.801 5.561
271 1HD ARG 35 1HD ARG 35 -5.085 -14.724 5.640
272 2HD ARG 35 2HD ARG 35 -4.335 -14.244 7.156
273 HE ARG 35 HE ARG 35 -6.545 -16.118 6.762
274 1HH1 ARG 35 2HH2 ARG 35 -4.976 -14.174 9.242
275 2HH1 ARG 35 1HH2 ARG 35 -5.632 -15.128 10.536
276 1HH2 ARG 35 2HH1 ARG 35 -7.431 -17.252 8.470
277 2HH2 ARG 35 1HH1 ARG 35 -7.034 -16.769 10.097
278 H TYR 36 H TYR 36 -5.435 -8.942 5.674
279 HA TYR 36 HA TYR 36 -5.370 -6.710 6.168
280 1HB TYR 36 1HB TYR 36 -7.026 -7.289 7.687
281 2HB TYR 36 2HB TYR 36 -5.923 -8.074 8.788
282 HD1 TYR 36 1HD TYR 36 -5.109 -6.984 10.666
283 HD2 TYR 36 2HD TYR 36 -6.741 -4.653 7.431
284 HE1 TYR 36 1HE TYR 36 -4.941 -4.929 12.069
285 HE2 TYR 36 2HE TYR 36 -6.583 -2.602 8.828
286 HH TYR 36 HH TYR 36 -6.223 -1.803 10.948
287 1HN NH2 37 NH1 NHE 37 -3.117 -6.422 5.353
288 2HN NH2 37 NH2 NHE 37 -1.934 -6.024 6.598
Start of MODEL 20
1 1H TYR 1 1H TYR 1 15.949 -11.734 10.236
2 2H TYR 1 2H TYR 1 14.366 -12.174 10.043
3 3H TYR 1 3H TYR 1 15.117 -11.330 8.859
4 HA TYR 1 HA TYR 1 14.555 -10.307 11.551
5 1HB TYR 1 1HB TYR 1 16.039 -9.178 9.176
6 2HB TYR 1 2HB TYR 1 15.124 -8.098 10.206
7 HD1 TYR 1 1HD TYR 1 18.208 -10.045 9.948
8 HD2 TYR 1 2HD TYR 1 15.615 -7.899 12.665
9 HE1 TYR 1 1HE TYR 1 20.047 -9.887 11.621
10 HE2 TYR 1 2HE TYR 1 17.441 -7.721 14.290
11 HH TYR 1 HH TYR 1 19.783 -7.897 14.503
12 HA PRO 2 HA PRO 2 10.576 -9.374 9.811
13 1HB PRO 2 1HB PRO 2 9.801 -7.249 11.417
14 2HB PRO 2 2HB PRO 2 9.753 -8.961 11.914
15 1HG PRO 2 1HG PRO 2 11.690 -6.837 12.713
16 2HG PRO 2 2HG PRO 2 11.191 -8.310 13.589
17 1HD PRO 2 1HD PRO 2 13.549 -7.892 12.028
18 2HD PRO 2 2HD PRO 2 13.013 -9.433 12.760
19 H ALA 3 H ALA 3 9.390 -7.582 8.815
20 HA ALA 3 HA ALA 3 10.911 -5.222 7.937
21 1HB ALA 3 1HB ALA 3 10.429 -5.703 5.571
22 2HB ALA 3 2HB ALA 3 11.435 -6.982 6.269
23 3HB ALA 3 3HB ALA 3 9.698 -7.259 6.011
24 H LYS 4 H LYS 4 9.511 -3.894 9.008
25 HA LYS 4 HA LYS 4 6.637 -4.287 9.013
26 1HB LYS 4 1HB LYS 4 8.338 -1.856 9.773
27 2HB LYS 4 2HB LYS 4 6.600 -1.930 9.952
28 1HG LYS 4 1HG LYS 4 7.036 -2.678 12.019
29 2HG LYS 4 2HG LYS 4 7.144 -4.236 11.238
30 1HD LYS 4 1HD LYS 4 9.294 -4.470 11.860
31 2HD LYS 4 2HD LYS 4 9.769 -2.972 11.071
32 1HE LYS 4 1HE LYS 4 8.564 -3.202 13.856
33 2HE LYS 4 2HE LYS 4 10.283 -2.974 13.487
34 1HZ LYS 4 1HZ LYS 4 8.933 -0.962 12.141
35 2HZ LYS 4 2HZ LYS 4 8.222 -1.008 13.609
36 3HZ LYS 4 3HZ LYS 4 9.852 -0.791 13.483
37 HA PRO 5 HA PRO 5 5.679 -2.434 5.180
38 1HB PRO 5 1HB PRO 5 3.193 -1.350 5.624
39 2HB PRO 5 2HB PRO 5 3.510 -3.074 5.397
40 1HG PRO 5 1HG PRO 5 2.901 -1.599 7.915
41 2HG PRO 5 2HG PRO 5 2.584 -3.304 7.492
42 1HD PRO 5 1HD PRO 5 4.690 -2.285 9.074
43 2HD PRO 5 2HD PRO 5 4.570 -3.943 8.422
44 H GLU 6 H GLU 6 6.020 -0.598 4.017
45 HA GLU 6 HA GLU 6 7.273 1.594 5.274
46 1HB GLU 6 1HB GLU 6 7.231 0.705 2.722
47 2HB GLU 6 2HB GLU 6 5.990 1.926 2.574
48 1HG GLU 6 1HG GLU 6 7.716 3.344 2.180
49 2HG GLU 6 2HG GLU 6 7.913 3.364 3.926
50 H ALA 7 H ALA 7 6.586 3.779 5.548
51 HA ALA 7 HA ALA 7 3.960 4.759 5.062
52 1HB ALA 7 1HB ALA 7 2.753 3.751 6.619
53 2HB ALA 7 2HB ALA 7 4.169 3.073 7.450
54 3HB ALA 7 3HB ALA 7 3.607 4.722 7.827
55 HA PRO 8 HA PRO 8 7.170 7.855 6.163
56 1HB PRO 8 1HB PRO 8 6.388 9.720 4.245
57 2HB PRO 8 2HB PRO 8 7.617 8.446 4.021
58 1HG PRO 8 1HG PRO 8 4.819 8.518 2.987
59 2HG PRO 8 2HG PRO 8 6.239 7.657 2.349
60 1HD PRO 8 1HD PRO 8 4.073 6.664 3.906
61 2HD PRO 8 2HD PRO 8 5.564 5.771 3.472
62 H GLY 9 H GLY 9 6.847 9.375 7.691
63 1HA GLY 9 1HA GLY 9 4.076 10.345 8.281
64 2HA GLY 9 2HA GLY 9 5.327 10.022 9.493
65 H GLU 10 H GLU 10 3.800 12.517 8.561
66 HA GLU 10 HA GLU 10 4.043 14.692 8.088
67 1HB GLU 10 1HB GLU 10 5.378 14.180 10.339
68 2HB GLU 10 2HB GLU 10 6.736 14.762 9.397
69 1HG GLU 10 1HG GLU 10 6.120 16.852 9.966
70 2HG GLU 10 2HG GLU 10 4.720 16.683 8.916
71 H ASP 11 H ASP 11 5.447 12.745 6.170
72 HA ASP 11 HA ASP 11 6.791 14.718 4.423
73 1HB ASP 11 1HB ASP 11 8.396 13.419 6.087
74 2HB ASP 11 2HB ASP 11 8.203 12.099 4.957
75 H ALA 12 H ALA 12 4.311 13.791 4.009
76 HA ALA 12 HA ALA 12 4.394 12.589 1.423
77 1HB ALA 12 1HB ALA 12 3.865 10.774 3.775
78 2HB ALA 12 2HB ALA 12 2.929 10.556 2.289
79 3HB ALA 12 3HB ALA 12 4.701 10.484 2.223
80 H SER 13 H SER 13 2.803 13.589 0.417
81 HA SER 13 HA SER 13 0.687 14.985 1.578
82 1HB SER 13 1HB SER 13 0.084 14.098 -1.134
83 2HB SER 13 2HB SER 13 0.492 15.709 -0.535
84 HG SER 13 HG SER 13 2.042 13.887 -1.870
85 HA PRO 14 HA PRO 14 -2.542 12.112 2.297
86 1HB PRO 14 1HB PRO 14 -4.814 13.155 1.078
87 2HB PRO 14 2HB PRO 14 -4.110 13.718 2.619
88 1HG PRO 14 1HG PRO 14 -3.982 15.002 -0.069
89 2HG PRO 14 2HG PRO 14 -3.884 15.744 1.552
90 1HD PRO 14 1HD PRO 14 -1.757 15.164 -0.204
91 2HD PRO 14 2HD PRO 14 -1.589 15.642 1.508
92 H GLU 15 H GLU 15 -1.809 12.793 -1.021
93 HA GLU 15 HA GLU 15 -3.233 10.628 -2.280
94 1HB GLU 15 1HB GLU 15 -1.617 12.862 -3.050
95 2HB GLU 15 2HB GLU 15 -0.761 11.443 -3.647
96 1HG GLU 15 1HG GLU 15 -2.612 10.761 -4.988
97 2HG GLU 15 2HG GLU 15 -3.739 11.798 -4.131
98 H GLU 16 H GLU 16 -0.112 10.837 -0.560
99 HA GLU 16 HA GLU 16 0.896 8.328 -1.575
100 1HB GLU 16 1HB GLU 16 1.986 10.438 -0.113
101 2HB GLU 16 2HB GLU 16 1.768 9.189 1.112
102 1HG GLU 16 1HG GLU 16 3.990 9.001 0.227
103 2HG GLU 16 2HG GLU 16 3.067 7.586 -0.253
104 H LEU 17 H LEU 17 -1.140 9.281 1.214
105 HA LEU 17 HA LEU 17 -1.071 6.761 2.548
106 1HB LEU 17 1HB LEU 17 -2.200 9.159 3.114
107 2HB LEU 17 2HB LEU 17 -3.613 8.361 2.454
108 HG LEU 17 HG LEU 17 -2.561 6.400 4.180
109 1HD1 LEU 17 1HD1 LEU 17 -1.874 7.416 6.212
110 2HD1 LEU 17 2HD1 LEU 17 -0.920 8.201 4.943
111 3HD1 LEU 17 3HD1 LEU 17 -2.311 9.043 5.651
112 1HD2 LEU 17 1HD2 LEU 17 -4.829 6.650 4.312
113 2HD2 LEU 17 2HD2 LEU 17 -4.359 7.449 5.826
114 3HD2 LEU 17 3HD2 LEU 17 -4.778 8.428 4.406
115 H SER 18 H SER 18 -3.117 7.904 -0.160
116 HA SER 18 HA SER 18 -4.691 5.533 -0.440
117 1HB SER 18 1HB SER 18 -3.912 7.419 -2.681
118 2HB SER 18 2HB SER 18 -5.406 6.483 -2.504
119 HG SER 18 HG SER 18 -6.057 7.891 -0.880
120 H ARG 19 H ARG 19 -1.395 6.242 -1.343
121 HA ARG 19 HA ARG 19 -1.086 4.059 -3.262
122 1HB ARG 19 1HB ARG 19 0.886 5.029 -3.685
123 2HB ARG 19 2HB ARG 19 0.321 6.338 -2.711
124 1HG ARG 19 1HG ARG 19 2.375 6.072 -1.834
125 2HG ARG 19 2HG ARG 19 1.527 5.035 -0.701
126 1HD ARG 19 1HD ARG 19 2.392 3.091 -1.529
127 2HD ARG 19 2HD ARG 19 2.647 3.771 -3.152
128 HE ARG 19 HE ARG 19 4.241 5.072 -1.092
129 1HH1 ARG 19 2HH2 ARG 19 4.193 2.491 -3.396
130 2HH1 ARG 19 1HH2 ARG 19 5.930 2.421 -3.576
131 1HH2 ARG 19 2HH1 ARG 19 6.463 4.995 -1.289
132 2HH2 ARG 19 1HH1 ARG 19 7.211 3.818 -2.326
133 H TYR 20 H TYR 20 -0.827 4.464 0.199
134 HA TYR 20 HA TYR 20 0.660 2.060 0.761
135 1HB TYR 20 1HB TYR 20 0.633 3.933 2.322
136 2HB TYR 20 2HB TYR 20 -1.111 3.810 2.510
137 HD1 TYR 20 1HD TYR 20 -2.129 2.283 4.047
138 HD2 TYR 20 2HD TYR 20 2.074 1.976 3.103
139 HE1 TYR 20 1HE TYR 20 -1.823 0.640 5.906
140 HE2 TYR 20 2HE TYR 20 2.363 0.402 4.954
141 HH TYR 20 HH TYR 20 1.105 -0.051 7.239
142 H TYR 21 H TYR 21 -2.812 2.867 1.154
143 HA TYR 21 HA TYR 21 -3.830 0.358 1.868
144 1HB TYR 21 1HB TYR 21 -4.876 2.722 0.324
145 2HB TYR 21 2HB TYR 21 -5.821 1.247 0.291
146 HD1 TYR 21 1HD TYR 21 -6.279 0.088 2.619
147 HD2 TYR 21 2HD TYR 21 -5.357 4.263 2.073
148 HE1 TYR 21 1HE TYR 21 -7.361 0.590 4.787
149 HE2 TYR 21 2HE TYR 21 -6.529 4.775 4.224
150 HH TYR 21 HH TYR 21 -7.177 2.530 6.546
151 H ALA 22 H ALA 22 -2.999 1.478 -1.436
152 HA ALA 22 HA ALA 22 -3.928 -0.924 -2.736
153 1HB ALA 22 1HB ALA 22 -1.712 0.552 -4.042
154 2HB ALA 22 2HB ALA 22 -3.346 0.179 -4.620
155 3HB ALA 22 3HB ALA 22 -3.075 1.585 -3.569
156 H SER 23 H SER 23 -0.738 0.153 -1.534
157 HA SER 23 HA SER 23 0.714 -2.188 -2.289
158 1HB SER 23 1HB SER 23 1.431 0.232 -1.197
159 2HB SER 23 2HB SER 23 1.615 -0.840 0.201
160 HG SER 23 HG SER 23 2.680 -1.351 -2.385
161 H LEU 24 H LEU 24 -1.191 -1.502 0.662
162 HA LEU 24 HA LEU 24 -0.505 -3.582 2.308
163 1HB LEU 24 1HB LEU 24 -2.282 -2.943 3.502
164 2HB LEU 24 2HB LEU 24 -2.527 -1.734 2.273
165 HG LEU 24 HG LEU 24 -4.102 -3.450 1.126
166 1HD1 LEU 24 1HD1 LEU 24 -4.607 -5.417 2.053
167 2HD1 LEU 24 2HD1 LEU 24 -3.192 -5.219 3.103
168 3HD1 LEU 24 3HD1 LEU 24 -4.779 -4.734 3.683
169 1HD2 LEU 24 1HD2 LEU 24 -5.953 -2.978 2.901
170 2HD2 LEU 24 2HD2 LEU 24 -4.694 -1.958 3.649
171 3HD2 LEU 24 3HD2 LEU 24 -5.219 -1.689 1.970
172 H ARG 25 H ARG 25 -2.639 -3.855 -0.505
173 HA ARG 25 HA ARG 25 -3.224 -6.665 -0.142
174 1HB ARG 25 1HB ARG 25 -4.561 -4.950 -1.525
175 2HB ARG 25 2HB ARG 25 -3.304 -5.099 -2.762
176 1HG ARG 25 1HG ARG 25 -3.713 -7.619 -2.720
177 2HG ARG 25 2HG ARG 25 -5.081 -7.326 -1.648
178 1HD ARG 25 1HD ARG 25 -6.232 -6.064 -3.356
179 2HD ARG 25 2HD ARG 25 -4.799 -5.997 -4.379
180 HE ARG 25 HE ARG 25 -6.688 -8.204 -4.147
181 1HH1 ARG 25 2HH2 ARG 25 -3.473 -7.364 -5.205
182 2HH1 ARG 25 1HH2 ARG 25 -3.305 -8.772 -6.212
183 1HH2 ARG 25 2HH1 ARG 25 -6.467 -9.989 -5.441
184 2HH2 ARG 25 1HH1 ARG 25 -5.023 -10.220 -6.352
185 H HIS 26 H HIS 26 -0.866 -4.890 -2.103
186 HA HIS 26 HA HIS 26 0.343 -7.210 -3.290
187 1HB HIS 26 1HB HIS 26 0.454 -4.537 -3.821
188 2HB HIS 26 2HB HIS 26 1.948 -4.702 -2.914
189 HD1 HIS 26 1HD HIS 26 3.786 -4.734 -4.833
190 HE1 HIS 26 1HE HIS 26 2.053 -7.637 -7.411
191 H TYR 27 H TYR 27 0.779 -5.568 -0.244
192 HA TYR 27 HA TYR 27 3.153 -6.839 0.670
193 1HB TYR 27 1HB TYR 27 1.593 -4.742 1.508
194 2HB TYR 27 2HB TYR 27 1.058 -5.961 2.640
195 HD1 TYR 27 1HD TYR 27 3.633 -3.641 1.694
196 HD2 TYR 27 2HD TYR 27 2.807 -7.151 4.064
197 HE1 TYR 27 1HE TYR 27 5.735 -3.268 2.961
198 HE2 TYR 27 2HE TYR 27 4.919 -6.756 5.362
199 HH TYR 27 HH TYR 27 7.166 -4.101 4.610
200 H LEU 28 H LEU 28 -0.306 -7.442 1.401
201 HA LEU 28 HA LEU 28 -0.027 -9.872 2.837
202 1HB LEU 28 1HB LEU 28 -2.120 -8.891 2.964
203 2HB LEU 28 2HB LEU 28 -2.179 -8.506 1.259
204 HG LEU 28 HG LEU 28 -2.532 -10.934 0.730
205 1HD1 LEU 28 1HD1 LEU 28 -1.646 -11.721 3.078
206 2HD1 LEU 28 2HD1 LEU 28 -3.315 -11.413 3.598
207 3HD1 LEU 28 3HD1 LEU 28 -2.982 -12.573 2.290
208 1HD2 LEU 28 1HD2 LEU 28 -4.931 -10.880 1.776
209 2HD2 LEU 28 2HD2 LEU 28 -4.453 -9.249 2.289
210 3HD2 LEU 28 3HD2 LEU 28 -4.432 -9.677 0.568
211 H ASN 29 H ASN 29 -0.303 -9.348 -0.710
212 HA ASN 29 HA ASN 29 -0.008 -12.183 -1.318
213 1HB ASN 29 1HB ASN 29 -0.350 -9.640 -2.819
214 2HB ASN 29 2HB ASN 29 0.704 -10.785 -3.628
215 1HD2 ASN 29 1HD2 ASN 29 -2.576 -10.001 -3.040
216 2HD2 ASN 29 2HD2 ASN 29 -3.193 -11.550 -3.659
217 H LEU 30 H LEU 30 2.326 -9.904 -0.314
218 HA LEU 30 HA LEU 30 4.592 -11.203 -1.675
219 1HB LEU 30 1HB LEU 30 4.958 -9.003 -1.639
220 2HB LEU 30 2HB LEU 30 4.057 -8.697 -0.202
221 HG LEU 30 HG LEU 30 6.619 -10.102 0.343
222 1HD1 LEU 30 1HD1 LEU 30 7.644 -8.832 -1.267
223 2HD1 LEU 30 2HD1 LEU 30 6.533 -7.450 -1.082
224 3HD1 LEU 30 3HD1 LEU 30 7.774 -7.770 0.142
225 1HD2 LEU 30 1HD2 LEU 30 6.703 -8.306 2.104
226 2HD2 LEU 30 2HD2 LEU 30 5.167 -7.681 1.489
227 3HD2 LEU 30 3HD2 LEU 30 5.240 -9.301 2.167
228 H VAL 31 H VAL 31 3.123 -11.065 1.526
229 HA VAL 31 HA VAL 31 5.037 -13.174 2.500
230 HB VAL 31 HB VAL 31 3.372 -11.068 3.826
231 1HG1 VAL 31 1HG1 VAL 31 3.882 -11.984 6.068
232 2HG1 VAL 31 2HG1 VAL 31 2.752 -13.003 5.173
233 3HG1 VAL 31 3HG1 VAL 31 4.451 -13.493 5.308
234 1HG2 VAL 31 1HG2 VAL 31 5.388 -10.232 4.488
235 2HG2 VAL 31 2HG2 VAL 31 6.099 -11.830 4.784
236 3HG2 VAL 31 3HG2 VAL 31 6.025 -11.196 3.145
237 H THR 32 H THR 32 1.831 -12.957 1.276
238 HA THR 32 HA THR 32 0.075 -14.334 1.191
239 HB THR 32 HB THR 32 1.524 -15.510 -0.236
240 HG1 THR 32 1HG THR 32 0.050 -16.881 -0.412
241 1HG2 THR 32 1HG2 THR 32 3.449 -16.088 1.092
242 2HG2 THR 32 2HG2 THR 32 2.467 -17.152 2.133
243 3HG2 THR 32 3HG2 THR 32 2.753 -17.557 0.424
244 H ARG 33 H ARG 33 0.872 -13.452 3.746
245 HA ARG 33 HA ARG 33 -0.807 -14.985 5.556
246 1HB ARG 33 1HB ARG 33 1.869 -15.909 5.155
247 2HB ARG 33 2HB ARG 33 1.908 -15.150 6.711
248 1HG ARG 33 1HG ARG 33 -0.423 -16.994 6.135
249 2HG ARG 33 2HG ARG 33 1.168 -17.716 6.223
250 1HD ARG 33 1HD ARG 33 1.503 -16.590 8.458
251 2HD ARG 33 2HD ARG 33 -0.189 -16.101 8.421
252 HE ARG 33 HE ARG 33 0.931 -18.743 8.950
253 1HH1 ARG 33 2HH2 ARG 33 -2.016 -17.199 7.902
254 2HH1 ARG 33 1HH2 ARG 33 -3.002 -18.627 8.162
255 1HH2 ARG 33 2HH1 ARG 33 -0.359 -20.518 9.360
256 2HH2 ARG 33 1HH1 ARG 33 -2.065 -20.448 9.067
257 H GLN 34 H GLN 34 -0.429 -12.174 4.748
258 HA GLN 34 HA GLN 34 0.116 -10.973 7.418
259 1HB GLN 34 1HB GLN 34 1.674 -10.511 5.241
260 2HB GLN 34 2HB GLN 34 0.468 -9.245 4.999
261 1HG GLN 34 1HG GLN 34 1.984 -9.705 7.612
262 2HG GLN 34 2HG GLN 34 2.498 -8.583 6.357
263 1HE2 GLN 34 1HE2 GLN 34 0.535 -8.857 9.218
264 2HE2 GLN 34 2HE2 GLN 34 -0.282 -7.322 8.917
265 H ARG 35 H ARG 35 -1.771 -10.505 8.320
266 HA ARG 35 HA ARG 35 -3.591 -8.722 6.932
267 1HB ARG 35 1HB ARG 35 -4.359 -11.096 6.366
268 2HB ARG 35 2HB ARG 35 -4.641 -11.343 8.093
269 1HG ARG 35 1HG ARG 35 -6.172 -9.214 7.895
270 2HG ARG 35 2HG ARG 35 -6.032 -9.477 6.147
271 1HD ARG 35 1HD ARG 35 -6.793 -11.908 6.654
272 2HD ARG 35 2HD ARG 35 -7.175 -11.309 8.281
273 HE ARG 35 HE ARG 35 -8.327 -9.762 6.062
274 1HH1 ARG 35 2HH2 ARG 35 -8.946 -12.395 8.262
275 2HH1 ARG 35 1HH2 ARG 35 -10.679 -12.240 8.164
276 1HH2 ARG 35 2HH1 ARG 35 -10.573 -9.724 5.762
277 2HH2 ARG 35 1HH1 ARG 35 -11.567 -10.778 6.710
278 H TYR 36 H TYR 36 -4.596 -7.426 8.376
279 HA TYR 36 HA TYR 36 -3.676 -6.993 10.980
280 1HB TYR 36 1HB TYR 36 -4.934 -5.426 9.447
281 2HB TYR 36 2HB TYR 36 -6.406 -6.315 9.815
282 HD1 TYR 36 1HD TYR 36 -3.656 -4.255 11.287
283 HD2 TYR 36 2HD TYR 36 -7.622 -5.865 11.850
284 HE1 TYR 36 1HE TYR 36 -3.974 -2.783 13.270
285 HE2 TYR 36 2HE TYR 36 -7.943 -4.396 13.822
286 HH TYR 36 HH TYR 36 -7.076 -2.598 14.982
287 1HN NH2 37 NH1 NHE 37 -4.172 -7.866 13.014
288 2HN NH2 37 NH2 NHE 37 -5.428 -9.089 13.194