Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | in_recoord | stage | position | program | type |
|
|
8035 | 1ld6 RC | 5375 | cing | recoord | 1-original | 5 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 1H ARG 1 1HT ARG 1 -7.999 -12.782 0.364
2 2H ARG 1 2HT ARG 1 -6.977 -12.686 -1.011
3 3H ARG 1 3HT ARG 1 -8.557 -12.017 -1.065
4 HA ARG 1 HA ARG 1 -6.236 -11.096 0.478
5 1HB ARG 1 2HB ARG 1 -7.973 -9.530 -1.410
6 2HB ARG 1 1HB ARG 1 -6.321 -9.203 -0.905
7 1HG ARG 1 2HG ARG 1 -5.575 -11.177 -2.189
8 2HG ARG 1 1HG ARG 1 -7.232 -11.393 -2.757
9 1HD ARG 1 2HD ARG 1 -6.656 -10.076 -4.463
10 2HD ARG 1 1HD ARG 1 -6.735 -8.747 -3.309
11 HE ARG 1 HE ARG 1 -4.483 -8.531 -3.531
12 1HH1 ARG 1 1HH1 ARG 1 -5.331 -11.810 -4.370
13 2HH1 ARG 1 2HH1 ARG 1 -3.717 -12.244 -4.821
14 1HH2 ARG 1 1HH2 ARG 1 -2.360 -9.099 -4.124
15 2HH2 ARG 1 2HH2 ARG 1 -2.029 -10.705 -4.679
16 HA PRO 2 HA PRO 2 -8.920 -9.731 3.707
17 1HB PRO 2 2HB PRO 2 -7.282 -7.266 3.803
18 2HB PRO 2 1HB PRO 2 -7.609 -8.457 5.073
19 1HG PRO 2 2HG PRO 2 -5.220 -8.316 3.857
20 2HG PRO 2 1HG PRO 2 -5.917 -9.859 4.380
21 1HD PRO 2 2HD PRO 2 -5.726 -8.692 1.642
22 2HD PRO 2 1HD PRO 2 -5.599 -10.385 2.165
23 H ASP 3 H ASP 3 -10.794 -8.653 3.780
24 HA ASP 3 HA ASP 3 -11.936 -7.379 1.656
25 1HB ASP 3 2HB ASP 3 -12.629 -7.857 4.365
26 2HB ASP 3 1HB ASP 3 -12.981 -6.162 4.035
27 H PHE 4 H PHE 4 -10.691 -5.643 4.514
28 HA PHE 4 HA PHE 4 -11.046 -3.077 3.606
29 1HB PHE 4 2HB PHE 4 -9.131 -2.460 5.112
30 2HB PHE 4 1HB PHE 4 -10.418 -3.396 5.872
31 HD1 PHE 4 1HD PHE 4 -6.927 -3.280 4.939
32 HD2 PHE 4 2HD PHE 4 -10.040 -5.778 6.407
33 HE1 PHE 4 1HE PHE 4 -5.251 -4.900 5.724
34 HE2 PHE 4 2HE PHE 4 -8.370 -7.403 7.191
35 HZ PHE 4 HZ PHE 4 -5.973 -6.964 6.851
36 H CYS 5 H CYS 5 -8.519 -5.316 2.686
37 HA CYS 5 HA CYS 5 -6.669 -3.490 1.648
38 1HB CYS 5 2HB CYS 5 -7.262 -6.333 0.890
39 2HB CYS 5 1HB CYS 5 -5.987 -5.387 0.140
40 H LEU 6 H LEU 6 -9.749 -4.446 0.549
41 HA LEU 6 HA LEU 6 -9.331 -3.679 -2.212
42 1HB LEU 6 2HB LEU 6 -12.005 -4.052 -0.887
43 2HB LEU 6 1HB LEU 6 -11.587 -4.261 -2.576
44 HG LEU 6 HG LEU 6 -10.589 -6.061 -0.371
45 1HD1 LEU 6 1HD1 LEU 6 -12.868 -6.512 -2.290
46 2HD1 LEU 6 2HD1 LEU 6 -13.030 -6.175 -0.566
47 3HD1 LEU 6 3HD1 LEU 6 -12.251 -7.663 -1.105
48 1HD2 LEU 6 1HD2 LEU 6 -10.385 -6.060 -3.360
49 2HD2 LEU 6 2HD2 LEU 6 -10.288 -7.566 -2.445
50 3HD2 LEU 6 3HD2 LEU 6 -9.116 -6.282 -2.156
51 H GLU 7 H GLU 7 -9.903 -2.015 0.675
52 HA GLU 7 HA GLU 7 -11.568 0.072 -0.318
53 1HB GLU 7 2HB GLU 7 -9.735 0.005 2.084
54 2HB GLU 7 1HB GLU 7 -10.881 1.292 1.734
55 1HG GLU 7 2HG GLU 7 -12.439 -0.972 1.630
56 2HG GLU 7 1HG GLU 7 -11.311 -1.309 2.941
57 HA PRO 8 HA PRO 8 -8.157 2.177 -2.350
58 1HB PRO 8 2HB PRO 8 -9.601 3.593 -4.079
59 2HB PRO 8 1HB PRO 8 -9.449 1.841 -4.259
60 1HG PRO 8 2HG PRO 8 -11.727 3.445 -3.190
61 2HG PRO 8 1HG PRO 8 -11.756 1.979 -4.185
62 1HD PRO 8 2HD PRO 8 -12.083 2.090 -1.405
63 2HD PRO 8 1HD PRO 8 -11.728 0.634 -2.355
64 HA PRO 9 HA PRO 9 -8.212 6.059 -0.187
65 1HB PRO 9 2HB PRO 9 -6.409 7.480 -1.559
66 2HB PRO 9 1HB PRO 9 -5.933 6.062 -0.614
67 1HG PRO 9 2HG PRO 9 -6.424 6.290 -3.564
68 2HG PRO 9 1HG PRO 9 -5.097 5.481 -2.718
69 1HD PRO 9 2HD PRO 9 -7.274 4.161 -3.696
70 2HD PRO 9 1HD PRO 9 -6.358 3.604 -2.280
71 H TYR 10 H TYR 10 -9.267 7.985 -0.216
72 HA TYR 10 HA TYR 10 -10.778 8.613 -2.619
73 1HB TYR 10 2HB TYR 10 -11.992 10.226 -1.188
74 2HB TYR 10 1HB TYR 10 -12.026 8.589 -0.553
75 HD1 TYR 10 1HD TYR 10 -11.236 12.012 0.121
76 HD2 TYR 10 2HD TYR 10 -10.433 8.022 1.367
77 HE1 TYR 10 1HE TYR 10 -10.465 12.854 2.301
78 HE2 TYR 10 2HE TYR 10 -9.658 8.854 3.548
79 HH TYR 10 HH TYR 10 -10.257 11.198 4.942
80 H ALA 11 H ALA 11 -10.389 10.253 -3.957
81 HA ALA 11 HA ALA 11 -8.088 11.966 -3.378
82 1HB ALA 11 1HB ALA 11 -8.655 10.543 -5.597
83 2HB ALA 11 2HB ALA 11 -7.646 11.989 -5.589
84 3HB ALA 11 3HB ALA 11 -9.349 12.104 -6.037
85 H GLY 12 H GLY 12 -8.929 13.562 -2.074
86 1HA GLY 12 2HA GLY 12 -11.029 15.242 -3.303
87 2HA GLY 12 1HA GLY 12 -10.857 15.026 -1.567
88 H ALA 13 H ALA 13 -9.328 16.213 -0.459
89 HA ALA 13 HA ALA 13 -7.364 17.719 -1.765
90 1HB ALA 13 1HB ALA 13 -8.146 19.907 -1.487
91 2HB ALA 13 2HB ALA 13 -9.445 19.386 -0.412
92 3HB ALA 13 3HB ALA 13 -9.525 19.018 -2.135
93 H CYS 14 H CYS 14 -5.848 16.955 -0.380
94 HA CYS 14 HA CYS 14 -5.660 18.179 2.186
95 1HB CYS 14 2HB CYS 14 -5.529 16.009 3.466
96 2HB CYS 14 1HB CYS 14 -7.142 16.465 2.933
97 H ARG 15 H ARG 15 -3.578 18.458 2.663
98 HA ARG 15 HA ARG 15 -1.577 17.319 0.923
99 1HB ARG 15 2HB ARG 15 -0.943 18.966 3.354
100 2HB ARG 15 1HB ARG 15 -0.083 18.876 1.825
101 1HG ARG 15 2HG ARG 15 -2.844 20.032 1.983
102 2HG ARG 15 1HG ARG 15 -1.416 20.996 2.355
103 1HD ARG 15 2HD ARG 15 -0.544 20.704 0.167
104 2HD ARG 15 1HD ARG 15 -1.740 19.465 -0.214
105 HE ARG 15 HE ARG 15 -3.278 21.607 0.310
106 1HH1 ARG 15 1HH1 ARG 15 -0.491 21.181 -1.750
107 2HH1 ARG 15 2HH1 ARG 15 -0.986 22.395 -2.880
108 1HH2 ARG 15 1HH2 ARG 15 -3.930 23.202 -1.175
109 2HH2 ARG 15 2HH2 ARG 15 -2.939 23.544 -2.554
110 H ALA 16 H ALA 16 -0.361 15.587 1.321
111 HA ALA 16 HA ALA 16 0.469 14.808 3.934
112 1HB ALA 16 1HB ALA 16 -1.873 14.012 3.974
113 2HB ALA 16 2HB ALA 16 -0.696 12.708 4.123
114 3HB ALA 16 3HB ALA 16 -1.517 12.983 2.588
115 H ALA 17 H ALA 17 2.078 13.226 3.887
116 HA ALA 17 HA ALA 17 2.665 11.765 1.556
117 1HB ALA 17 1HB ALA 17 3.784 14.366 1.754
118 2HB ALA 17 2HB ALA 17 4.036 13.156 0.496
119 3HB ALA 17 3HB ALA 17 5.084 13.185 1.913
120 H ALA 18 H ALA 18 2.135 10.941 4.058
121 HA ALA 18 HA ALA 18 4.480 10.491 5.621
122 1HB ALA 18 1HB ALA 18 1.810 9.089 5.691
123 2HB ALA 18 2HB ALA 18 2.272 10.500 6.644
124 3HB ALA 18 3HB ALA 18 3.074 8.953 6.913
125 H ALA 19 H ALA 19 5.341 8.313 6.109
126 HA ALA 19 HA ALA 19 5.948 6.928 3.661
127 1HB ALA 19 1HB ALA 19 7.062 7.086 6.341
128 2HB ALA 19 2HB ALA 19 7.855 6.751 4.802
129 3HB ALA 19 3HB ALA 19 7.076 5.445 5.694
130 H ARG 20 H ARG 20 3.244 6.671 4.095
131 HA ARG 20 HA ARG 20 2.873 3.967 5.162
132 1HB ARG 20 2HB ARG 20 0.789 6.014 4.381
133 2HB ARG 20 1HB ARG 20 0.486 4.466 5.172
134 1HG ARG 20 2HG ARG 20 2.036 5.374 7.025
135 2HG ARG 20 1HG ARG 20 1.726 6.948 6.287
136 1HD ARG 20 2HD ARG 20 -0.248 7.069 7.287
137 2HD ARG 20 1HD ARG 20 -0.744 5.538 6.569
138 HE ARG 20 HE ARG 20 0.569 4.546 8.538
139 1HH1 ARG 20 1HH1 ARG 20 -1.280 7.512 8.675
140 2HH1 ARG 20 2HH1 ARG 20 -1.580 7.386 10.373
141 1HH2 ARG 20 1HH2 ARG 20 0.165 4.387 10.768
142 2HH2 ARG 20 2HH2 ARG 20 -0.762 5.616 11.561
143 H TYR 21 H TYR 21 1.348 2.551 3.966
144 HA TYR 21 HA TYR 21 1.397 2.978 1.064
145 1HB TYR 21 2HB TYR 21 2.190 0.396 2.424
146 2HB TYR 21 1HB TYR 21 2.070 0.653 0.689
147 HD1 TYR 21 1HD TYR 21 3.941 1.713 3.719
148 HD2 TYR 21 2HD TYR 21 3.899 1.463 -0.527
149 HE1 TYR 21 1HE TYR 21 6.315 2.354 3.662
150 HE2 TYR 21 2HE TYR 21 6.270 2.104 -0.596
151 HH TYR 21 HH TYR 21 7.924 3.194 0.738
152 H PHE 22 H PHE 22 -0.168 1.695 -0.108
153 HA PHE 22 HA PHE 22 -2.184 0.319 1.489
154 1HB PHE 22 2HB PHE 22 -4.052 1.535 0.503
155 2HB PHE 22 1HB PHE 22 -3.019 2.610 1.411
156 HD1 PHE 22 1HD PHE 22 -3.548 1.391 -2.065
157 HD2 PHE 22 2HD PHE 22 -2.396 4.612 0.460
158 HE1 PHE 22 1HE PHE 22 -3.397 2.869 -4.024
159 HE2 PHE 22 2HE PHE 22 -2.244 6.094 -1.495
160 HZ PHE 22 HZ PHE 22 -2.743 5.223 -3.740
161 H TYR 23 H TYR 23 -3.710 -0.894 0.172
162 HA TYR 23 HA TYR 23 -2.299 -2.089 -2.082
163 1HB TYR 23 2HB TYR 23 -3.330 -3.538 -0.376
164 2HB TYR 23 1HB TYR 23 -4.925 -2.902 -0.802
165 HD1 TYR 23 1HD TYR 23 -6.203 -4.136 -2.288
166 HD2 TYR 23 2HD TYR 23 -1.969 -4.503 -2.451
167 HE1 TYR 23 1HE TYR 23 -6.430 -5.857 -4.022
168 HE2 TYR 23 2HE TYR 23 -2.184 -6.228 -4.192
169 HH TYR 23 HH TYR 23 -5.160 -6.876 -5.780
170 H ASN 24 H ASN 24 -3.051 -2.258 -4.166
171 HA ASN 24 HA ASN 24 -5.260 -0.446 -4.906
172 1HB ASN 24 2HB ASN 24 -3.083 0.332 -5.746
173 2HB ASN 24 1HB ASN 24 -2.811 -1.232 -6.513
174 1HD2 ASN 24 1HD2 ASN 24 -2.899 1.406 -7.685
175 2HD2 ASN 24 2HD2 ASN 24 -4.140 1.349 -8.893
176 H ALA 25 H ALA 25 -6.837 -2.079 -4.717
177 HA ALA 25 HA ALA 25 -6.736 -4.656 -5.689
178 1HB ALA 25 1HB ALA 25 -8.558 -4.010 -4.315
179 2HB ALA 25 2HB ALA 25 -9.240 -4.466 -5.879
180 3HB ALA 25 3HB ALA 25 -9.063 -2.763 -5.456
181 H LYS 26 H LYS 26 -6.990 -1.705 -7.482
182 HA LYS 26 HA LYS 26 -7.907 -3.034 -9.896
183 1HB LYS 26 2HB LYS 26 -8.112 -0.444 -8.916
184 2HB LYS 26 1HB LYS 26 -6.964 -0.305 -10.240
185 1HG LYS 26 2HG LYS 26 -9.500 -1.806 -10.674
186 2HG LYS 26 1HG LYS 26 -9.527 -0.043 -10.658
187 1HD LYS 26 2HD LYS 26 -7.380 -0.560 -12.266
188 2HD LYS 26 1HD LYS 26 -8.462 -1.894 -12.667
189 1HE LYS 26 2HE LYS 26 -10.186 0.205 -12.655
190 2HE LYS 26 1HE LYS 26 -8.707 0.981 -13.221
191 1HZ LYS 26 1HZ LYS 26 -9.494 0.245 -15.192
192 2HZ LYS 26 2HZ LYS 26 -10.356 -1.043 -14.517
193 3HZ LYS 26 3HZ LYS 26 -8.685 -1.171 -14.742
194 H ALA 27 H ALA 27 -4.949 -2.840 -8.414
195 HA ALA 27 HA ALA 27 -3.600 -3.223 -10.988
196 1HB ALA 27 1HB ALA 27 -3.362 -0.855 -9.621
197 2HB ALA 27 2HB ALA 27 -2.248 -1.464 -10.844
198 3HB ALA 27 3HB ALA 27 -1.921 -1.746 -9.134
199 H GLY 28 H GLY 28 -4.181 -4.441 -7.968
200 1HA GLY 28 2HA GLY 28 -3.341 -6.244 -6.863
201 2HA GLY 28 1HA GLY 28 -2.351 -6.516 -8.272
202 H LEU 29 H LEU 29 -1.537 -3.502 -7.394
203 HA LEU 29 HA LEU 29 0.587 -4.446 -5.587
204 1HB LEU 29 2HB LEU 29 0.733 -3.076 -8.106
205 2HB LEU 29 1HB LEU 29 1.428 -2.066 -6.853
206 HG LEU 29 HG LEU 29 2.499 -4.619 -6.412
207 1HD1 LEU 29 1HD1 LEU 29 2.424 -3.924 -9.339
208 2HD1 LEU 29 2HD1 LEU 29 1.847 -5.401 -8.564
209 3HD1 LEU 29 3HD1 LEU 29 3.576 -5.053 -8.625
210 1HD2 LEU 29 1HD2 LEU 29 3.919 -2.894 -5.954
211 2HD2 LEU 29 2HD2 LEU 29 3.463 -1.987 -7.396
212 3HD2 LEU 29 3HD2 LEU 29 4.543 -3.375 -7.531
213 H CYS 30 H CYS 30 1.623 -2.514 -4.367
214 HA CYS 30 HA CYS 30 -0.588 -0.990 -3.201
215 1HB CYS 30 2HB CYS 30 2.170 -1.264 -2.027
216 2HB CYS 30 1HB CYS 30 0.690 -0.763 -1.219
217 H GLN 31 H GLN 31 0.305 1.131 -2.133
218 HA GLN 31 HA GLN 31 2.144 2.555 -3.865
219 1HB GLN 31 2HB GLN 31 -0.301 2.681 -4.759
220 2HB GLN 31 1HB GLN 31 -0.540 3.811 -3.433
221 1HG GLN 31 2HG GLN 31 -0.048 5.104 -5.336
222 2HG GLN 31 1HG GLN 31 1.404 5.119 -4.337
223 1HE2 GLN 31 1HE2 GLN 31 0.556 5.148 -7.379
224 2HE2 GLN 31 2HE2 GLN 31 1.784 4.168 -8.098
225 H THR 32 H THR 32 3.193 4.200 -2.866
226 HA THR 32 HA THR 32 2.799 4.481 -0.016
227 HB THR 32 HB THR 32 5.052 4.293 -1.167
228 HG1 THR 32 1HG THR 32 5.897 5.282 0.505
229 1HG2 THR 32 1HG2 THR 32 5.076 7.224 -1.529
230 2HG2 THR 32 2HG2 THR 32 4.329 6.254 -2.801
231 3HG2 THR 32 3HG2 THR 32 6.008 5.968 -2.341
232 H PHE 33 H PHE 33 0.721 5.503 -1.734
233 HA PHE 33 HA PHE 33 -0.710 7.255 -1.833
234 1HB PHE 33 2HB PHE 33 1.071 8.302 0.373
235 2HB PHE 33 1HB PHE 33 -0.368 9.144 -0.183
236 HD1 PHE 33 1HD PHE 33 0.922 6.346 1.733
237 HD2 PHE 33 2HD PHE 33 -2.589 8.187 0.189
238 HE1 PHE 33 1HE PHE 33 -0.453 4.992 3.257
239 HE2 PHE 33 2HE PHE 33 -3.970 6.840 1.716
240 HZ PHE 33 HZ PHE 33 -2.901 5.241 3.254
241 H ALA 34 H ALA 34 -0.922 9.473 -2.588
242 HA ALA 34 HA ALA 34 1.345 10.980 -3.429
243 1HB ALA 34 1HB ALA 34 1.041 10.735 -5.852
244 2HB ALA 34 2HB ALA 34 -0.173 9.487 -5.569
245 3HB ALA 34 3HB ALA 34 1.504 9.210 -5.096
246 H TYR 35 H TYR 35 0.574 12.785 -5.024
247 HA TYR 35 HA TYR 35 -0.735 14.703 -5.089
248 1HB TYR 35 2HB TYR 35 -2.038 12.535 -6.292
249 2HB TYR 35 1HB TYR 35 -3.271 13.376 -5.363
250 HD1 TYR 35 1HD TYR 35 -2.569 13.073 -8.503
251 HD2 TYR 35 2HD TYR 35 -2.296 16.187 -5.612
252 HE1 TYR 35 1HE TYR 35 -2.746 14.748 -10.294
253 HE2 TYR 35 2HE TYR 35 -2.480 17.866 -7.397
254 HH TYR 35 HH TYR 35 -1.848 17.551 -10.290
255 H GLY 36 H GLY 36 -3.288 15.206 -4.424
256 1HA GLY 36 2HA GLY 36 -3.079 15.624 -1.606
257 2HA GLY 36 1HA GLY 36 -4.449 16.058 -2.618
258 H ALA 37 H ALA 37 -3.377 12.732 -2.662
259 HA ALA 37 HA ALA 37 -5.907 11.791 -1.832
260 1HB ALA 37 1HB ALA 37 -4.194 10.593 -3.288
261 2HB ALA 37 2HB ALA 37 -5.048 9.620 -2.089
262 3HB ALA 37 3HB ALA 37 -3.392 10.147 -1.780
263 H CYS 38 H CYS 38 -6.707 11.322 0.108
264 HA CYS 38 HA CYS 38 -5.138 11.955 2.454
265 1HB CYS 38 2HB CYS 38 -7.992 11.613 1.808
266 2HB CYS 38 1HB CYS 38 -7.530 11.045 3.408
267 H ALA 39 H ALA 39 -4.882 10.544 4.259
268 HA ALA 39 HA ALA 39 -4.113 7.902 3.539
269 1HB ALA 39 1HB ALA 39 -3.641 9.651 5.685
270 2HB ALA 39 2HB ALA 39 -2.909 8.074 5.396
271 3HB ALA 39 3HB ALA 39 -4.367 8.202 6.379
272 H ALA 40 H ALA 40 -5.187 6.020 3.681
273 HA ALA 40 HA ALA 40 -8.006 6.079 4.283
274 1HB ALA 40 1HB ALA 40 -7.593 3.495 3.806
275 2HB ALA 40 2HB ALA 40 -6.124 4.136 3.070
276 3HB ALA 40 3HB ALA 40 -7.703 4.688 2.511
277 H LYS 41 H LYS 41 -9.071 4.787 5.836
278 HA LYS 41 HA LYS 41 -7.851 4.732 8.373
279 1HB LYS 41 2HB LYS 41 -10.443 4.456 7.372
280 2HB LYS 41 1HB LYS 41 -10.113 2.922 8.165
281 1HG LYS 41 2HG LYS 41 -10.023 3.849 10.235
282 2HG LYS 41 1HG LYS 41 -9.415 5.395 9.639
283 1HD LYS 41 2HD LYS 41 -11.472 6.252 9.528
284 2HD LYS 41 1HD LYS 41 -12.078 4.849 8.646
285 1HE LYS 41 2HE LYS 41 -12.625 3.704 10.607
286 2HE LYS 41 1HE LYS 41 -11.597 4.733 11.603
287 1HZ LYS 41 1HZ LYS 41 -13.124 6.551 11.284
288 2HZ LYS 41 2HZ LYS 41 -13.965 5.214 11.889
289 3HZ LYS 41 3HZ LYS 41 -14.088 5.620 10.251
290 H ARG 42 H ARG 42 -9.063 1.931 6.518
291 HA ARG 42 HA ARG 42 -7.357 0.153 8.020
292 1HB ARG 42 2HB ARG 42 -9.231 -0.456 5.730
293 2HB ARG 42 1HB ARG 42 -8.463 -1.636 6.782
294 1HG ARG 42 2HG ARG 42 -10.400 0.463 7.727
295 2HG ARG 42 1HG ARG 42 -10.841 -1.198 7.315
296 1HD ARG 42 2HD ARG 42 -10.426 -1.684 9.452
297 2HD ARG 42 1HD ARG 42 -8.720 -1.518 9.041
298 HE ARG 42 HE ARG 42 -8.658 0.454 10.212
299 1HH1 ARG 42 1HH1 ARG 42 -11.985 -0.474 9.714
300 2HH1 ARG 42 2HH1 ARG 42 -12.614 0.733 10.785
301 1HH2 ARG 42 1HH2 ARG 42 -9.482 2.040 11.629
302 2HH2 ARG 42 2HH2 ARG 42 -11.193 2.161 11.871
303 H ASN 43 H ASN 43 -7.665 1.265 4.668
304 HA ASN 43 HA ASN 43 -5.558 -0.359 3.681
305 1HB ASN 43 2HB ASN 43 -7.605 1.193 2.608
306 2HB ASN 43 1HB ASN 43 -6.139 2.046 2.129
307 1HD2 ASN 43 1HD2 ASN 43 -7.381 -1.189 2.425
308 2HD2 ASN 43 2HD2 ASN 43 -6.766 -1.788 0.912
309 H ASN 44 H ASN 44 -4.101 0.343 5.514
310 HA ASN 44 HA ASN 44 -2.229 2.299 4.498
311 1HB ASN 44 2HB ASN 44 -2.189 3.643 6.563
312 2HB ASN 44 1HB ASN 44 -3.760 3.723 5.770
313 1HD2 ASN 44 1HD2 ASN 44 -3.511 4.426 8.386
314 2HD2 ASN 44 2HD2 ASN 44 -4.289 3.256 9.389
315 H PHE 45 H PHE 45 -0.481 0.972 4.500
316 HA PHE 45 HA PHE 45 0.077 -0.563 6.946
317 1HB PHE 45 2HB PHE 45 0.936 -0.974 4.077
318 2HB PHE 45 1HB PHE 45 1.634 -1.862 5.433
319 HD1 PHE 45 1HD PHE 45 -1.425 -1.273 3.488
320 HD2 PHE 45 2HD PHE 45 0.438 -3.621 6.509
321 HE1 PHE 45 1HE PHE 45 -3.291 -2.868 3.392
322 HE2 PHE 45 2HE PHE 45 -1.424 -5.229 6.414
323 HZ PHE 45 HZ PHE 45 -3.294 -4.853 4.852
324 H LYS 46 H LYS 46 2.053 -0.389 7.954
325 HA LYS 46 HA LYS 46 3.382 2.082 7.788
326 1HB LYS 46 2HB LYS 46 4.084 -0.514 9.144
327 2HB LYS 46 1HB LYS 46 5.101 0.915 9.269
328 1HG LYS 46 2HG LYS 46 3.155 2.152 10.188
329 2HG LYS 46 1HG LYS 46 2.247 0.638 10.183
330 1HD LYS 46 2HD LYS 46 3.777 -0.354 11.742
331 2HD LYS 46 1HD LYS 46 4.858 1.038 11.637
332 1HE LYS 46 2HE LYS 46 3.723 1.454 13.606
333 2HE LYS 46 1HE LYS 46 2.783 2.380 12.436
334 1HZ LYS 46 1HZ LYS 46 1.145 1.265 13.548
335 2HZ LYS 46 2HZ LYS 46 2.087 -0.114 13.818
336 3HZ LYS 46 3HZ LYS 46 1.433 0.176 12.286
337 H SER 47 H SER 47 3.738 -0.757 5.931
338 HA SER 47 HA SER 47 5.936 0.430 4.482
339 1HB SER 47 2HB SER 47 6.864 -2.175 4.714
340 2HB SER 47 1HB SER 47 7.535 -0.754 5.516
341 HG SER 47 HG SER 47 6.258 -1.210 7.311
342 H ALA 48 H ALA 48 6.175 -0.373 2.388
343 HA ALA 48 HA ALA 48 3.846 -1.372 1.178
344 1HB ALA 48 1HB ALA 48 4.957 -0.554 -0.581
345 2HB ALA 48 2HB ALA 48 5.961 -2.002 -0.553
346 3HB ALA 48 3HB ALA 48 6.478 -0.556 0.312
347 H GLU 49 H GLU 49 6.755 -2.950 2.353
348 HA GLU 49 HA GLU 49 6.254 -5.511 1.303
349 1HB GLU 49 2HB GLU 49 8.413 -4.842 2.333
350 2HB GLU 49 1HB GLU 49 7.627 -4.780 3.904
351 1HG GLU 49 2HG GLU 49 7.242 -7.135 3.882
352 2HG GLU 49 1HG GLU 49 7.788 -7.259 2.211
353 H ASP 50 H ASP 50 5.203 -3.801 4.181
354 HA ASP 50 HA ASP 50 3.848 -5.951 5.421
355 1HB ASP 50 2HB ASP 50 4.408 -3.323 6.081
356 2HB ASP 50 1HB ASP 50 2.658 -3.324 5.888
357 H CYS 51 H CYS 51 2.755 -3.379 3.173
358 HA CYS 51 HA CYS 51 0.034 -4.125 3.141
359 1HB CYS 51 2HB CYS 51 0.587 -2.014 2.212
360 2HB CYS 51 1HB CYS 51 1.828 -2.705 1.167
361 H LEU 52 H LEU 52 2.657 -4.937 0.860
362 HA LEU 52 HA LEU 52 1.227 -6.694 -0.755
363 1HB LEU 52 2HB LEU 52 4.157 -6.757 -0.030
364 2HB LEU 52 1HB LEU 52 3.431 -7.649 -1.354
365 HG LEU 52 HG LEU 52 3.546 -4.642 -1.119
366 1HD1 LEU 52 1HD1 LEU 52 5.133 -4.758 -2.944
367 2HD1 LEU 52 2HD1 LEU 52 5.015 -6.518 -2.963
368 3HD1 LEU 52 3HD1 LEU 52 5.720 -5.697 -1.571
369 1HD2 LEU 52 1HD2 LEU 52 1.536 -5.549 -2.293
370 2HD2 LEU 52 2HD2 LEU 52 2.625 -6.324 -3.443
371 3HD2 LEU 52 3HD2 LEU 52 2.591 -4.566 -3.309
372 H ARG 53 H ARG 53 2.917 -7.296 2.295
373 HA ARG 53 HA ARG 53 2.802 -10.094 2.246
374 1HB ARG 53 2HB ARG 53 3.972 -8.417 3.907
375 2HB ARG 53 1HB ARG 53 2.488 -8.616 4.826
376 1HG ARG 53 2HG ARG 53 2.962 -10.757 5.392
377 2HG ARG 53 1HG ARG 53 3.836 -11.077 3.890
378 1HD ARG 53 2HD ARG 53 5.549 -11.062 5.436
379 2HD ARG 53 1HD ARG 53 5.566 -9.397 4.855
380 HE ARG 53 HE ARG 53 4.077 -10.067 7.293
381 1HH1 ARG 53 1HH1 ARG 53 6.735 -8.394 5.753
382 2HH1 ARG 53 2HH1 ARG 53 7.065 -7.402 7.132
383 1HH2 ARG 53 1HH2 ARG 53 4.521 -8.764 9.098
384 2HH2 ARG 53 2HH2 ARG 53 5.813 -7.612 9.028
385 H THR 54 H THR 54 0.589 -7.785 3.815
386 HA THR 54 HA THR 54 -1.312 -9.847 4.444
387 HB THR 54 HB THR 54 -1.696 -6.854 4.581
388 HG1 THR 54 1HG THR 54 -1.018 -7.133 6.768
389 1HG2 THR 54 1HG2 THR 54 -2.917 -8.262 6.713
390 2HG2 THR 54 2HG2 THR 54 -3.427 -9.004 5.196
391 3HG2 THR 54 3HG2 THR 54 -3.672 -7.277 5.460
392 H CYS 55 H CYS 55 -1.457 -6.947 2.361
393 HA CYS 55 HA CYS 55 -3.903 -7.797 1.165
394 1HB CYS 55 2HB CYS 55 -2.006 -5.574 0.398
395 2HB CYS 55 1HB CYS 55 -3.604 -5.822 -0.299
396 H GLY 56 H GLY 56 -0.519 -7.766 0.109
397 1HA GLY 56 2HA GLY 56 -1.224 -8.840 -2.492
398 2HA GLY 56 1HA GLY 56 0.401 -8.515 -1.899
399 H GLY 57 H GLY 57 1.141 -10.537 -2.669
400 1HA GLY 57 2HA GLY 57 1.725 -12.566 -1.185
401 2HA GLY 57 1HA GLY 57 0.008 -12.909 -1.331
402 H ALA 58 H ALA 58 -0.612 -12.537 -3.876
403 HA ALA 58 HA ALA 58 0.667 -14.747 -5.176
404 1HB ALA 58 1HB ALA 58 -1.828 -13.764 -5.287
405 2HB ALA 58 2HB ALA 58 -1.130 -14.780 -6.547
406 3HB ALA 58 3HB ALA 58 -1.152 -13.027 -6.740
Start of MODEL 2
1 1H ARG 1 1HT ARG 1 -7.150 -13.488 1.395
2 2H ARG 1 2HT ARG 1 -6.540 -13.829 -0.173
3 3H ARG 1 3HT ARG 1 -8.234 -13.823 0.111
4 HA ARG 1 HA ARG 1 -6.364 -11.570 0.037
5 1HB ARG 1 2HB ARG 1 -7.320 -12.307 -2.066
6 2HB ARG 1 1HB ARG 1 -8.938 -12.268 -1.379
7 1HG ARG 1 2HG ARG 1 -8.736 -9.835 -1.093
8 2HG ARG 1 1HG ARG 1 -7.137 -9.897 -1.837
9 1HD ARG 1 2HD ARG 1 -9.823 -10.364 -3.079
10 2HD ARG 1 1HD ARG 1 -8.536 -9.277 -3.591
11 HE ARG 1 HE ARG 1 -7.476 -11.046 -4.650
12 1HH1 ARG 1 1HH1 ARG 1 -10.251 -12.190 -2.860
13 2HH1 ARG 1 2HH1 ARG 1 -10.252 -13.745 -3.619
14 1HH2 ARG 1 1HH2 ARG 1 -7.481 -13.091 -5.644
15 2HH2 ARG 1 2HH2 ARG 1 -8.681 -14.257 -5.197
16 HA PRO 2 HA PRO 2 -8.810 -10.205 3.584
17 1HB PRO 2 2HB PRO 2 -7.148 -7.803 3.429
18 2HB PRO 2 1HB PRO 2 -7.303 -8.977 4.741
19 1HG PRO 2 2HG PRO 2 -5.082 -8.752 3.174
20 2HG PRO 2 1HG PRO 2 -5.579 -10.250 3.961
21 1HD PRO 2 2HD PRO 2 -5.805 -9.454 1.140
22 2HD PRO 2 1HD PRO 2 -5.566 -11.060 1.839
23 H ASP 3 H ASP 3 -10.678 -9.163 3.504
24 HA ASP 3 HA ASP 3 -11.755 -8.005 1.266
25 1HB ASP 3 2HB ASP 3 -12.503 -7.424 4.136
26 2HB ASP 3 1HB ASP 3 -13.517 -7.110 2.730
27 H PHE 4 H PHE 4 -10.425 -6.184 4.052
28 HA PHE 4 HA PHE 4 -10.992 -3.645 3.168
29 1HB PHE 4 2HB PHE 4 -8.806 -2.989 4.392
30 2HB PHE 4 1HB PHE 4 -10.132 -3.697 5.317
31 HD1 PHE 4 1HD PHE 4 -6.739 -4.119 4.097
32 HD2 PHE 4 2HD PHE 4 -9.962 -5.990 6.145
33 HE1 PHE 4 1HE PHE 4 -5.199 -5.839 4.941
34 HE2 PHE 4 2HE PHE 4 -8.428 -7.716 6.989
35 HZ PHE 4 HZ PHE 4 -6.043 -7.639 6.388
36 H CYS 5 H CYS 5 -8.636 -5.816 1.879
37 HA CYS 5 HA CYS 5 -6.870 -4.017 0.660
38 1HB CYS 5 2HB CYS 5 -7.730 -6.738 -0.319
39 2HB CYS 5 1HB CYS 5 -6.298 -5.857 -0.834
40 H LEU 6 H LEU 6 -10.115 -4.806 -0.016
41 HA LEU 6 HA LEU 6 -10.050 -3.983 -2.788
42 1HB LEU 6 2HB LEU 6 -12.518 -4.348 -1.106
43 2HB LEU 6 1HB LEU 6 -12.361 -4.488 -2.846
44 HG LEU 6 HG LEU 6 -11.079 -6.410 -0.902
45 1HD1 LEU 6 1HD1 LEU 6 -12.951 -7.622 -0.783
46 2HD1 LEU 6 2HD1 LEU 6 -13.342 -7.361 -2.483
47 3HD1 LEU 6 3HD1 LEU 6 -13.776 -6.145 -1.281
48 1HD2 LEU 6 1HD2 LEU 6 -10.471 -7.672 -2.727
49 2HD2 LEU 6 2HD2 LEU 6 -10.275 -6.039 -3.364
50 3HD2 LEU 6 3HD2 LEU 6 -11.717 -6.974 -3.761
51 H GLU 7 H GLU 7 -10.183 -2.388 0.193
52 HA GLU 7 HA GLU 7 -11.906 -0.233 -0.514
53 1HB GLU 7 2HB GLU 7 -9.723 -0.248 1.575
54 2HB GLU 7 1HB GLU 7 -11.068 0.878 1.472
55 1HG GLU 7 2HG GLU 7 -12.592 -1.116 1.758
56 2HG GLU 7 1HG GLU 7 -11.148 -2.036 2.174
57 HA PRO 8 HA PRO 8 -8.779 1.870 -2.945
58 1HB PRO 8 2HB PRO 8 -10.413 3.502 -4.273
59 2HB PRO 8 1HB PRO 8 -10.412 1.765 -4.599
60 1HG PRO 8 2HG PRO 8 -12.361 3.401 -3.049
61 2HG PRO 8 1HG PRO 8 -12.647 1.994 -4.088
62 1HD PRO 8 2HD PRO 8 -12.452 1.982 -1.282
63 2HD PRO 8 1HD PRO 8 -12.407 0.562 -2.346
64 HA PRO 9 HA PRO 9 -8.131 5.504 -0.477
65 1HB PRO 9 2HB PRO 9 -6.343 6.825 -2.000
66 2HB PRO 9 1HB PRO 9 -5.930 5.331 -1.151
67 1HG PRO 9 2HG PRO 9 -6.662 5.738 -4.025
68 2HG PRO 9 1HG PRO 9 -5.376 4.736 -3.332
69 1HD PRO 9 2HD PRO 9 -7.770 3.732 -4.157
70 2HD PRO 9 1HD PRO 9 -6.802 3.008 -2.849
71 H TYR 10 H TYR 10 -7.769 8.031 -1.052
72 HA TYR 10 HA TYR 10 -9.583 8.954 -3.105
73 1HB TYR 10 2HB TYR 10 -11.076 10.117 -1.618
74 2HB TYR 10 1HB TYR 10 -11.018 8.426 -1.140
75 HD1 TYR 10 1HD TYR 10 -8.868 8.066 0.612
76 HD2 TYR 10 2HD TYR 10 -11.289 11.539 0.175
77 HE1 TYR 10 1HE TYR 10 -8.337 8.719 2.922
78 HE2 TYR 10 2HE TYR 10 -10.765 12.201 2.485
79 HH TYR 10 HH TYR 10 -8.941 11.784 4.152
80 H ALA 11 H ALA 11 -9.508 11.264 -3.410
81 HA ALA 11 HA ALA 11 -6.951 12.374 -2.507
82 1HB ALA 11 1HB ALA 11 -7.808 12.099 -5.031
83 2HB ALA 11 2HB ALA 11 -6.711 13.384 -4.519
84 3HB ALA 11 3HB ALA 11 -8.438 13.710 -4.682
85 H GLY 12 H GLY 12 -8.010 12.892 -0.439
86 1HA GLY 12 2HA GLY 12 -9.981 15.033 -0.506
87 2HA GLY 12 1HA GLY 12 -9.365 14.231 0.930
88 H ALA 13 H ALA 13 -9.299 16.467 1.719
89 HA ALA 13 HA ALA 13 -7.375 18.223 0.653
90 1HB ALA 13 1HB ALA 13 -7.933 19.618 2.668
91 2HB ALA 13 2HB ALA 13 -9.082 18.355 3.109
92 3HB ALA 13 3HB ALA 13 -9.284 19.242 1.597
93 H CYS 14 H CYS 14 -5.526 16.758 0.800
94 HA CYS 14 HA CYS 14 -4.030 17.213 3.223
95 1HB CYS 14 2HB CYS 14 -4.231 14.335 2.396
96 2HB CYS 14 1HB CYS 14 -3.676 15.015 3.919
97 H ARG 15 H ARG 15 -2.147 17.877 2.484
98 HA ARG 15 HA ARG 15 -1.214 17.092 -0.146
99 1HB ARG 15 2HB ARG 15 0.174 18.924 1.806
100 2HB ARG 15 1HB ARG 15 0.411 18.829 0.066
101 1HG ARG 15 2HG ARG 15 -1.813 19.715 -0.314
102 2HG ARG 15 1HG ARG 15 -2.116 19.745 1.424
103 1HD ARG 15 2HD ARG 15 -1.508 21.931 1.020
104 2HD ARG 15 1HD ARG 15 0.030 21.214 1.498
105 HE ARG 15 HE ARG 15 0.820 21.549 -0.629
106 1HH1 ARG 15 1HH1 ARG 15 -2.642 21.997 -0.610
107 2HH1 ARG 15 2HH1 ARG 15 -2.694 22.631 -2.220
108 1HH2 ARG 15 1HH2 ARG 15 0.752 22.384 -2.747
109 2HH2 ARG 15 2HH2 ARG 15 -0.769 22.851 -3.433
110 H ALA 16 H ALA 16 -1.180 15.188 2.186
111 HA ALA 16 HA ALA 16 1.587 14.763 2.805
112 1HB ALA 16 1HB ALA 16 -0.616 14.056 4.093
113 2HB ALA 16 2HB ALA 16 0.880 13.133 4.233
114 3HB ALA 16 3HB ALA 16 -0.398 12.581 3.150
115 H ALA 17 H ALA 17 2.987 13.251 1.947
116 HA ALA 17 HA ALA 17 2.152 11.323 0.074
117 1HB ALA 17 1HB ALA 17 4.124 12.855 -1.351
118 2HB ALA 17 2HB ALA 17 2.714 13.846 -0.979
119 3HB ALA 17 3HB ALA 17 2.520 12.340 -1.876
120 H ALA 18 H ALA 18 3.416 11.134 2.460
121 HA ALA 18 HA ALA 18 5.580 9.450 1.864
122 1HB ALA 18 1HB ALA 18 7.256 10.909 1.662
123 2HB ALA 18 2HB ALA 18 7.085 11.199 3.394
124 3HB ALA 18 3HB ALA 18 6.261 12.246 2.239
125 H ALA 19 H ALA 19 4.084 8.250 3.241
126 HA ALA 19 HA ALA 19 4.915 8.325 5.982
127 1HB ALA 19 1HB ALA 19 2.294 8.462 6.578
128 2HB ALA 19 2HB ALA 19 2.362 9.550 5.192
129 3HB ALA 19 3HB ALA 19 3.383 9.849 6.598
130 H ARG 20 H ARG 20 2.194 7.152 3.962
131 HA ARG 20 HA ARG 20 2.887 4.422 4.779
132 1HB ARG 20 2HB ARG 20 0.096 5.573 4.922
133 2HB ARG 20 1HB ARG 20 0.530 3.889 5.218
134 1HG ARG 20 2HG ARG 20 2.138 5.555 6.878
135 2HG ARG 20 1HG ARG 20 0.451 6.036 7.053
136 1HD ARG 20 2HD ARG 20 1.059 3.138 7.079
137 2HD ARG 20 1HD ARG 20 1.556 4.076 8.484
138 HE ARG 20 HE ARG 20 -1.133 3.406 7.704
139 1HH1 ARG 20 1HH1 ARG 20 0.863 5.598 9.545
140 2HH1 ARG 20 2HH1 ARG 20 -0.412 6.053 10.624
141 1HH2 ARG 20 1HH2 ARG 20 -2.814 4.003 9.123
142 2HH2 ARG 20 2HH2 ARG 20 -2.499 5.147 10.385
143 H TYR 21 H TYR 21 1.137 2.910 3.604
144 HA TYR 21 HA TYR 21 0.960 3.752 0.780
145 1HB TYR 21 2HB TYR 21 1.809 1.015 1.751
146 2HB TYR 21 1HB TYR 21 1.648 1.522 0.074
147 HD1 TYR 21 1HD TYR 21 3.488 2.454 3.191
148 HD2 TYR 21 2HD TYR 21 3.536 2.210 -1.055
149 HE1 TYR 21 1HE TYR 21 5.852 3.133 3.184
150 HE2 TYR 21 2HE TYR 21 5.898 2.890 -1.075
151 HH TYR 21 HH TYR 21 7.534 3.914 0.237
152 H PHE 22 H PHE 22 -0.386 2.024 -0.460
153 HA PHE 22 HA PHE 22 -2.554 0.886 1.131
154 1HB PHE 22 2HB PHE 22 -4.260 1.905 -0.388
155 2HB PHE 22 1HB PHE 22 -3.480 3.040 0.692
156 HD1 PHE 22 1HD PHE 22 -1.657 4.524 -0.222
157 HD2 PHE 22 2HD PHE 22 -4.165 2.155 -2.711
158 HE1 PHE 22 1HE PHE 22 -1.017 5.890 -2.164
159 HE2 PHE 22 2HE PHE 22 -3.533 3.521 -4.656
160 HZ PHE 22 HZ PHE 22 -1.955 5.389 -4.383
161 H TYR 23 H TYR 23 -3.723 -0.707 0.040
162 HA TYR 23 HA TYR 23 -2.216 -1.931 -2.134
163 1HB TYR 23 2HB TYR 23 -2.982 -3.351 -0.302
164 2HB TYR 23 1HB TYR 23 -4.664 -2.950 -0.668
165 HD1 TYR 23 1HD TYR 23 -5.853 -4.285 -2.170
166 HD2 TYR 23 2HD TYR 23 -1.606 -4.461 -2.175
167 HE1 TYR 23 1HE TYR 23 -5.942 -6.155 -3.764
168 HE2 TYR 23 2HE TYR 23 -1.680 -6.333 -3.767
169 HH TYR 23 HH TYR 23 -4.574 -8.001 -4.510
170 H ASN 24 H ASN 24 -2.817 -2.052 -4.186
171 HA ASN 24 HA ASN 24 -5.303 -0.689 -4.974
172 1HB ASN 24 2HB ASN 24 -3.232 0.292 -5.861
173 2HB ASN 24 1HB ASN 24 -2.803 -1.255 -6.591
174 1HD2 ASN 24 1HD2 ASN 24 -3.344 1.439 -7.706
175 2HD2 ASN 24 2HD2 ASN 24 -4.530 1.163 -8.938
176 H ALA 25 H ALA 25 -6.756 -2.392 -4.803
177 HA ALA 25 HA ALA 25 -6.397 -5.016 -5.610
178 1HB ALA 25 1HB ALA 25 -8.348 -4.024 -4.325
179 2HB ALA 25 2HB ALA 25 -8.744 -5.261 -5.521
180 3HB ALA 25 3HB ALA 25 -9.013 -3.558 -5.893
181 H LYS 26 H LYS 26 -6.988 -2.179 -7.531
182 HA LYS 26 HA LYS 26 -7.695 -3.640 -9.916
183 1HB LYS 26 2HB LYS 26 -8.028 -1.024 -9.032
184 2HB LYS 26 1HB LYS 26 -6.864 -0.886 -10.342
185 1HG LYS 26 2HG LYS 26 -8.900 -2.628 -11.227
186 2HG LYS 26 1HG LYS 26 -9.687 -1.240 -10.474
187 1HD LYS 26 2HD LYS 26 -7.428 -0.766 -12.361
188 2HD LYS 26 1HD LYS 26 -9.009 -1.199 -13.017
189 1HE LYS 26 2HE LYS 26 -8.602 1.041 -11.048
190 2HE LYS 26 1HE LYS 26 -8.533 1.273 -12.794
191 1HZ LYS 26 1HZ LYS 26 -10.839 0.046 -12.649
192 2HZ LYS 26 2HZ LYS 26 -10.715 1.717 -12.421
193 3HZ LYS 26 3HZ LYS 26 -10.832 0.689 -11.084
194 H ALA 27 H ALA 27 -4.799 -3.251 -8.368
195 HA ALA 27 HA ALA 27 -3.341 -3.638 -10.886
196 1HB ALA 27 1HB ALA 27 -2.605 -1.658 -8.746
197 2HB ALA 27 2HB ALA 27 -2.979 -1.336 -10.439
198 3HB ALA 27 3HB ALA 27 -1.496 -2.191 -10.010
199 H GLY 28 H GLY 28 -4.008 -4.817 -7.859
200 1HA GLY 28 2HA GLY 28 -3.176 -6.581 -6.694
201 2HA GLY 28 1HA GLY 28 -2.123 -6.855 -8.056
202 H LEU 29 H LEU 29 -1.389 -3.813 -7.226
203 HA LEU 29 HA LEU 29 0.598 -4.654 -5.223
204 1HB LEU 29 2HB LEU 29 0.932 -3.237 -7.794
205 2HB LEU 29 1HB LEU 29 1.859 -2.604 -6.449
206 HG LEU 29 HG LEU 29 2.395 -5.271 -6.248
207 1HD1 LEU 29 1HD1 LEU 29 1.220 -5.830 -8.283
208 2HD1 LEU 29 2HD1 LEU 29 2.954 -6.036 -8.521
209 3HD1 LEU 29 3HD1 LEU 29 2.136 -4.619 -9.179
210 1HD2 LEU 29 1HD2 LEU 29 4.122 -3.691 -6.076
211 2HD2 LEU 29 2HD2 LEU 29 3.812 -3.051 -7.690
212 3HD2 LEU 29 3HD2 LEU 29 4.527 -4.651 -7.499
213 H CYS 30 H CYS 30 1.605 -2.705 -4.086
214 HA CYS 30 HA CYS 30 -0.579 -0.910 -3.316
215 1HB CYS 30 2HB CYS 30 1.936 -0.982 -1.740
216 2HB CYS 30 1HB CYS 30 0.276 -0.787 -1.203
217 H GLN 31 H GLN 31 0.097 1.292 -2.618
218 HA GLN 31 HA GLN 31 2.403 2.381 -3.993
219 1HB GLN 31 2HB GLN 31 -0.403 2.835 -4.864
220 2HB GLN 31 1HB GLN 31 0.676 4.222 -4.871
221 1HG GLN 31 2HG GLN 31 1.173 3.540 -6.935
222 2HG GLN 31 1HG GLN 31 2.208 2.371 -6.119
223 1HE2 GLN 31 1HE2 GLN 31 -1.303 2.570 -6.599
224 2HE2 GLN 31 2HE2 GLN 31 -1.462 1.018 -7.340
225 H THR 32 H THR 32 2.984 4.483 -3.281
226 HA THR 32 HA THR 32 2.130 5.048 -0.593
227 HB THR 32 HB THR 32 4.465 5.489 -2.052
228 HG1 THR 32 1HG THR 32 3.702 6.556 0.459
229 1HG2 THR 32 1HG2 THR 32 3.431 7.638 -2.861
230 2HG2 THR 32 2HG2 THR 32 4.968 7.788 -2.009
231 3HG2 THR 32 3HG2 THR 32 3.460 8.182 -1.184
232 H PHE 33 H PHE 33 0.859 6.685 0.116
233 HA PHE 33 HA PHE 33 -1.197 7.672 -1.390
234 1HB PHE 33 2HB PHE 33 0.145 8.868 1.039
235 2HB PHE 33 1HB PHE 33 -1.340 9.519 0.350
236 HD1 PHE 33 1HD PHE 33 0.169 6.658 2.076
237 HD2 PHE 33 2HD PHE 33 -3.430 8.382 0.602
238 HE1 PHE 33 1HE PHE 33 -1.136 5.003 3.345
239 HE2 PHE 33 2HE PHE 33 -4.741 6.731 1.874
240 HZ PHE 33 HZ PHE 33 -3.595 5.042 3.246
241 H ALA 34 H ALA 34 -0.966 8.687 -3.298
242 HA ALA 34 HA ALA 34 1.184 10.487 -3.859
243 1HB ALA 34 1HB ALA 34 -0.015 10.856 -6.002
244 2HB ALA 34 2HB ALA 34 -1.329 9.846 -5.399
245 3HB ALA 34 3HB ALA 34 0.275 9.153 -5.643
246 H TYR 35 H TYR 35 0.288 12.616 -5.131
247 HA TYR 35 HA TYR 35 -0.210 14.541 -3.281
248 1HB TYR 35 2HB TYR 35 -1.234 15.880 -5.193
249 2HB TYR 35 1HB TYR 35 0.376 15.228 -5.473
250 HD1 TYR 35 1HD TYR 35 0.706 13.358 -7.030
251 HD2 TYR 35 2HD TYR 35 -3.133 15.097 -6.452
252 HE1 TYR 35 1HE TYR 35 -0.092 12.261 -9.080
253 HE2 TYR 35 2HE TYR 35 -3.942 14.004 -8.501
254 HH TYR 35 HH TYR 35 -3.084 11.715 -9.829
255 H GLY 36 H GLY 36 -1.971 15.462 -2.284
256 1HA GLY 36 2HA GLY 36 -4.033 15.668 -1.399
257 2HA GLY 36 1HA GLY 36 -4.594 15.230 -2.987
258 H ALA 37 H ALA 37 -2.895 12.589 -2.256
259 HA ALA 37 HA ALA 37 -5.191 11.049 -1.582
260 1HB ALA 37 1HB ALA 37 -2.317 10.154 -1.519
261 2HB ALA 37 2HB ALA 37 -3.289 10.247 -2.987
262 3HB ALA 37 3HB ALA 37 -3.754 9.147 -1.691
263 H CYS 38 H CYS 38 -6.059 11.273 0.421
264 HA CYS 38 HA CYS 38 -4.307 11.558 2.723
265 1HB CYS 38 2HB CYS 38 -6.750 12.626 2.199
266 2HB CYS 38 1HB CYS 38 -7.202 11.239 3.186
267 H ALA 39 H ALA 39 -5.009 10.261 4.734
268 HA ALA 39 HA ALA 39 -4.551 7.510 4.161
269 1HB ALA 39 1HB ALA 39 -5.192 8.920 6.742
270 2HB ALA 39 2HB ALA 39 -3.600 8.454 6.144
271 3HB ALA 39 3HB ALA 39 -4.761 7.214 6.622
272 H ALA 40 H ALA 40 -5.866 5.760 4.297
273 HA ALA 40 HA ALA 40 -8.739 6.311 4.253
274 1HB ALA 40 1HB ALA 40 -7.241 4.833 2.561
275 2HB ALA 40 2HB ALA 40 -8.969 4.589 2.819
276 3HB ALA 40 3HB ALA 40 -7.801 3.582 3.673
277 H LYS 41 H LYS 41 -10.074 4.355 5.131
278 HA LYS 41 HA LYS 41 -9.739 4.305 7.919
279 1HB LYS 41 2HB LYS 41 -11.698 3.453 6.041
280 2HB LYS 41 1HB LYS 41 -11.364 2.098 7.110
281 1HG LYS 41 2HG LYS 41 -11.742 3.639 9.041
282 2HG LYS 41 1HG LYS 41 -12.286 4.854 7.882
283 1HD LYS 41 2HD LYS 41 -14.082 3.424 7.152
284 2HD LYS 41 1HD LYS 41 -13.486 2.100 8.155
285 1HE LYS 41 2HE LYS 41 -14.225 3.064 10.104
286 2HE LYS 41 1HE LYS 41 -14.137 4.700 9.451
287 1HZ LYS 41 1HZ LYS 41 -16.071 2.913 8.211
288 2HZ LYS 41 2HZ LYS 41 -16.198 4.560 8.578
289 3HZ LYS 41 3HZ LYS 41 -16.416 3.404 9.794
290 H ARG 42 H ARG 42 -9.946 1.311 6.024
291 HA ARG 42 HA ARG 42 -8.129 0.035 7.879
292 1HB ARG 42 2HB ARG 42 -9.604 -1.190 5.549
293 2HB ARG 42 1HB ARG 42 -8.833 -2.042 6.881
294 1HG ARG 42 2HG ARG 42 -11.071 -0.099 7.335
295 2HG ARG 42 1HG ARG 42 -11.365 -1.794 6.945
296 1HD ARG 42 2HD ARG 42 -9.596 -0.929 9.218
297 2HD ARG 42 1HD ARG 42 -11.330 -1.182 9.407
298 HE ARG 42 HE ARG 42 -9.299 -3.199 9.146
299 1HH1 ARG 42 1HH1 ARG 42 -12.688 -2.483 8.724
300 2HH1 ARG 42 2HH1 ARG 42 -13.182 -4.137 8.848
301 1HH2 ARG 42 1HH2 ARG 42 -9.947 -5.377 9.311
302 2HH2 ARG 42 2HH2 ARG 42 -11.626 -5.781 9.181
303 H ASN 43 H ASN 43 -8.207 0.936 4.474
304 HA ASN 43 HA ASN 43 -5.894 -0.531 3.746
305 1HB ASN 43 2HB ASN 43 -7.919 0.840 2.433
306 2HB ASN 43 1HB ASN 43 -6.483 1.805 2.095
307 1HD2 ASN 43 1HD2 ASN 43 -7.518 -1.513 2.298
308 2HD2 ASN 43 2HD2 ASN 43 -6.682 -2.080 0.883
309 H ASN 44 H ASN 44 -4.457 0.164 5.500
310 HA ASN 44 HA ASN 44 -2.810 2.375 4.656
311 1HB ASN 44 2HB ASN 44 -2.894 3.575 6.799
312 2HB ASN 44 1HB ASN 44 -4.476 3.536 6.025
313 1HD2 ASN 44 1HD2 ASN 44 -6.083 2.166 6.867
314 2HD2 ASN 44 2HD2 ASN 44 -6.013 1.603 8.499
315 H PHE 45 H PHE 45 -1.051 1.009 4.468
316 HA PHE 45 HA PHE 45 -0.252 -0.476 6.873
317 1HB PHE 45 2HB PHE 45 0.567 -0.776 3.972
318 2HB PHE 45 1HB PHE 45 1.272 -1.693 5.305
319 HD1 PHE 45 1HD PHE 45 -0.103 -3.307 6.564
320 HD2 PHE 45 2HD PHE 45 -1.573 -1.320 3.098
321 HE1 PHE 45 1HE PHE 45 -1.922 -4.958 6.395
322 HE2 PHE 45 2HE PHE 45 -3.394 -2.968 2.921
323 HZ PHE 45 HZ PHE 45 -3.570 -4.787 4.571
324 H LYS 46 H LYS 46 1.711 -0.096 7.838
325 HA LYS 46 HA LYS 46 2.817 2.463 7.652
326 1HB LYS 46 2HB LYS 46 2.976 0.462 9.459
327 2HB LYS 46 1HB LYS 46 4.565 0.330 8.718
328 1HG LYS 46 2HG LYS 46 3.854 3.076 9.355
329 2HG LYS 46 1HG LYS 46 3.859 2.021 10.769
330 1HD LYS 46 2HD LYS 46 6.139 1.203 9.847
331 2HD LYS 46 1HD LYS 46 6.104 2.693 8.901
332 1HE LYS 46 2HE LYS 46 6.324 4.029 10.742
333 2HE LYS 46 1HE LYS 46 5.532 2.872 11.811
334 1HZ LYS 46 1HZ LYS 46 8.090 2.060 10.682
335 2HZ LYS 46 2HZ LYS 46 7.458 1.801 12.230
336 3HZ LYS 46 3HZ LYS 46 8.139 3.298 11.836
337 H SER 47 H SER 47 3.409 -0.301 5.719
338 HA SER 47 HA SER 47 5.334 1.162 4.158
339 1HB SER 47 2HB SER 47 6.717 -1.230 4.428
340 2HB SER 47 1HB SER 47 7.160 0.313 5.160
341 HG SER 47 HG SER 47 6.991 -0.903 6.905
342 H ALA 48 H ALA 48 5.689 0.251 2.087
343 HA ALA 48 HA ALA 48 3.495 -1.093 0.989
344 1HB ALA 48 1HB ALA 48 5.457 -1.633 -0.819
345 2HB ALA 48 2HB ALA 48 6.158 -0.262 0.039
346 3HB ALA 48 3HB ALA 48 4.579 -0.106 -0.734
347 H GLU 49 H GLU 49 6.578 -2.262 2.218
348 HA GLU 49 HA GLU 49 6.308 -4.943 1.398
349 1HB GLU 49 2HB GLU 49 8.413 -3.923 2.302
350 2HB GLU 49 1HB GLU 49 7.673 -3.913 3.897
351 1HG GLU 49 2HG GLU 49 8.671 -5.889 4.151
352 2HG GLU 49 1HG GLU 49 7.348 -6.511 3.166
353 H ASP 50 H ASP 50 5.183 -3.086 4.149
354 HA ASP 50 HA ASP 50 4.081 -5.236 5.624
355 1HB ASP 50 2HB ASP 50 4.481 -2.588 6.125
356 2HB ASP 50 1HB ASP 50 2.742 -2.617 5.855
357 H CYS 51 H CYS 51 2.698 -2.965 3.224
358 HA CYS 51 HA CYS 51 0.057 -3.923 3.345
359 1HB CYS 51 2HB CYS 51 0.303 -1.897 2.208
360 2HB CYS 51 1HB CYS 51 1.689 -2.471 1.282
361 H LEU 52 H LEU 52 2.651 -4.726 1.031
362 HA LEU 52 HA LEU 52 1.331 -6.682 -0.409
363 1HB LEU 52 2HB LEU 52 4.252 -6.460 0.310
364 2HB LEU 52 1HB LEU 52 3.623 -7.610 -0.855
365 HG LEU 52 HG LEU 52 3.511 -4.603 -1.081
366 1HD1 LEU 52 1HD1 LEU 52 5.704 -5.255 -1.564
367 2HD1 LEU 52 2HD1 LEU 52 4.918 -5.153 -3.140
368 3HD1 LEU 52 3HD1 LEU 52 5.182 -6.725 -2.386
369 1HD2 LEU 52 1HD2 LEU 52 2.600 -5.031 -3.330
370 2HD2 LEU 52 2HD2 LEU 52 1.520 -5.582 -2.049
371 3HD2 LEU 52 3HD2 LEU 52 2.496 -6.748 -2.943
372 H ARG 53 H ARG 53 3.181 -7.037 2.607
373 HA ARG 53 HA ARG 53 3.094 -9.826 2.769
374 1HB ARG 53 2HB ARG 53 4.013 -7.724 4.380
375 2HB ARG 53 1HB ARG 53 2.867 -8.601 5.383
376 1HG ARG 53 2HG ARG 53 4.513 -10.008 5.852
377 2HG ARG 53 1HG ARG 53 4.381 -10.592 4.192
378 1HD ARG 53 2HD ARG 53 6.437 -9.857 3.787
379 2HD ARG 53 1HD ARG 53 5.906 -8.212 4.125
380 HE ARG 53 HE ARG 53 6.918 -8.334 6.182
381 1HH1 ARG 53 1HH1 ARG 53 6.743 -11.534 4.797
382 2HH1 ARG 53 2HH1 ARG 53 7.765 -12.246 6.000
383 1HH2 ARG 53 1HH2 ARG 53 8.261 -9.270 7.765
384 2HH2 ARG 53 2HH2 ARG 53 8.626 -10.961 7.686
385 H THR 54 H THR 54 0.906 -7.436 4.249
386 HA THR 54 HA THR 54 -0.895 -9.469 5.182
387 HB THR 54 HB THR 54 -1.523 -6.533 5.015
388 HG1 THR 54 1HG THR 54 0.182 -7.870 6.834
389 1HG2 THR 54 1HG2 THR 54 -2.240 -8.651 7.029
390 2HG2 THR 54 2HG2 THR 54 -3.320 -7.922 5.840
391 3HG2 THR 54 3HG2 THR 54 -2.655 -6.940 7.146
392 H CYS 55 H CYS 55 -1.285 -6.791 2.855
393 HA CYS 55 HA CYS 55 -3.727 -7.921 1.875
394 1HB CYS 55 2HB CYS 55 -2.304 -5.373 1.620
395 2HB CYS 55 1HB CYS 55 -3.109 -5.881 0.139
396 H GLY 56 H GLY 56 -0.413 -7.638 0.683
397 1HA GLY 56 2HA GLY 56 -1.009 -8.505 -1.961
398 2HA GLY 56 1HA GLY 56 0.583 -8.473 -1.219
399 H GLY 57 H GLY 57 -0.676 -10.490 -2.956
400 1HA GLY 57 2HA GLY 57 0.155 -12.802 -1.477
401 2HA GLY 57 1HA GLY 57 -1.584 -12.763 -1.726
402 H ALA 58 H ALA 58 0.673 -11.444 -4.045
403 HA ALA 58 HA ALA 58 -0.379 -13.134 -6.112
404 1HB ALA 58 1HB ALA 58 1.712 -11.899 -7.297
405 2HB ALA 58 2HB ALA 58 1.400 -10.794 -5.959
406 3HB ALA 58 3HB ALA 58 0.116 -11.174 -7.107
Start of MODEL 3
1 1H ARG 1 1HT ARG 1 -8.730 -12.220 -1.192
2 2H ARG 1 2HT ARG 1 -7.485 -13.099 -0.405
3 3H ARG 1 3HT ARG 1 -7.232 -12.476 -1.984
4 HA ARG 1 HA ARG 1 -6.180 -11.244 -0.122
5 1HB ARG 1 2HB ARG 1 -6.746 -9.089 -1.173
6 2HB ARG 1 1HB ARG 1 -6.467 -10.347 -2.370
7 1HG ARG 1 2HG ARG 1 -9.262 -10.076 -1.547
8 2HG ARG 1 1HG ARG 1 -8.592 -8.651 -2.343
9 1HD ARG 1 2HD ARG 1 -7.790 -10.159 -4.173
10 2HD ARG 1 1HD ARG 1 -8.685 -11.469 -3.405
11 HE ARG 1 HE ARG 1 -10.478 -9.391 -3.767
12 1HH1 ARG 1 1HH1 ARG 1 -8.508 -11.462 -5.769
13 2HH1 ARG 1 2HH1 ARG 1 -9.595 -11.407 -7.115
14 1HH2 ARG 1 1HH2 ARG 1 -11.912 -9.318 -5.540
15 2HH2 ARG 1 2HH2 ARG 1 -11.527 -10.189 -6.987
16 HA PRO 2 HA PRO 2 -8.681 -10.186 3.353
17 1HB PRO 2 2HB PRO 2 -7.164 -7.682 3.623
18 2HB PRO 2 1HB PRO 2 -7.274 -9.054 4.732
19 1HG PRO 2 2HG PRO 2 -5.037 -8.539 3.316
20 2HG PRO 2 1HG PRO 2 -5.552 -10.189 3.710
21 1HD PRO 2 2HD PRO 2 -5.800 -8.689 1.135
22 2HD PRO 2 1HD PRO 2 -5.417 -10.402 1.415
23 H ASP 3 H ASP 3 -10.571 -9.194 3.631
24 HA ASP 3 HA ASP 3 -11.927 -7.846 1.714
25 1HB ASP 3 2HB ASP 3 -12.509 -8.661 4.249
26 2HB ASP 3 1HB ASP 3 -12.599 -6.908 4.426
27 H PHE 4 H PHE 4 -10.547 -6.148 4.541
28 HA PHE 4 HA PHE 4 -11.102 -3.582 3.754
29 1HB PHE 4 2HB PHE 4 -9.120 -2.902 5.137
30 2HB PHE 4 1HB PHE 4 -10.284 -3.947 5.951
31 HD1 PHE 4 1HD PHE 4 -9.711 -6.264 6.455
32 HD2 PHE 4 2HD PHE 4 -6.904 -3.624 4.654
33 HE1 PHE 4 1HE PHE 4 -7.890 -7.811 7.036
34 HE2 PHE 4 2HE PHE 4 -5.079 -5.168 5.228
35 HZ PHE 4 HZ PHE 4 -5.570 -7.264 6.421
36 H CYS 5 H CYS 5 -8.523 -5.627 2.565
37 HA CYS 5 HA CYS 5 -6.883 -3.644 1.446
38 1HB CYS 5 2HB CYS 5 -7.337 -6.475 0.505
39 2HB CYS 5 1HB CYS 5 -6.037 -5.419 -0.033
40 H LEU 6 H LEU 6 -9.965 -4.796 0.559
41 HA LEU 6 HA LEU 6 -9.816 -4.010 -2.213
42 1HB LEU 6 2HB LEU 6 -12.342 -4.507 -0.659
43 2HB LEU 6 1HB LEU 6 -12.079 -4.677 -2.383
44 HG LEU 6 HG LEU 6 -10.739 -6.445 -0.343
45 1HD1 LEU 6 1HD1 LEU 6 -12.930 -7.028 0.025
46 2HD1 LEU 6 2HD1 LEU 6 -12.506 -8.103 -1.308
47 3HD1 LEU 6 3HD1 LEU 6 -13.426 -6.631 -1.621
48 1HD2 LEU 6 1HD2 LEU 6 -9.626 -6.378 -2.489
49 2HD2 LEU 6 2HD2 LEU 6 -11.153 -6.667 -3.322
50 3HD2 LEU 6 3HD2 LEU 6 -10.455 -7.923 -2.300
51 H GLU 7 H GLU 7 -10.284 -2.379 0.724
52 HA GLU 7 HA GLU 7 -12.070 -0.349 -0.179
53 1HB GLU 7 2HB GLU 7 -10.089 -0.254 2.104
54 2HB GLU 7 1HB GLU 7 -11.428 0.857 1.850
55 1HG GLU 7 2HG GLU 7 -12.884 -1.290 1.933
56 2HG GLU 7 1HG GLU 7 -11.477 -1.989 2.733
57 HA PRO 8 HA PRO 8 -8.841 1.805 -2.440
58 1HB PRO 8 2HB PRO 8 -10.418 3.276 -4.004
59 2HB PRO 8 1HB PRO 8 -10.282 1.528 -4.244
60 1HG PRO 8 2HG PRO 8 -12.449 3.094 -2.909
61 2HG PRO 8 1HG PRO 8 -12.580 1.694 -3.987
62 1HD PRO 8 2HD PRO 8 -12.707 1.594 -1.215
63 2HD PRO 8 1HD PRO 8 -12.332 0.217 -2.270
64 HA PRO 9 HA PRO 9 -8.864 5.669 -0.222
65 1HB PRO 9 2HB PRO 9 -6.573 6.674 -1.424
66 2HB PRO 9 1HB PRO 9 -6.596 5.533 -0.080
67 1HG PRO 9 2HG PRO 9 -5.724 5.071 -2.761
68 2HG PRO 9 1HG PRO 9 -5.771 3.922 -1.415
69 1HD PRO 9 2HD PRO 9 -7.652 4.276 -3.659
70 2HD PRO 9 1HD PRO 9 -7.341 2.849 -2.644
71 H TYR 10 H TYR 10 -8.075 8.105 -0.987
72 HA TYR 10 HA TYR 10 -9.177 8.781 -3.577
73 1HB TYR 10 2HB TYR 10 -10.888 10.255 -2.727
74 2HB TYR 10 1HB TYR 10 -11.131 8.645 -2.066
75 HD1 TYR 10 1HD TYR 10 -10.503 8.181 0.309
76 HD2 TYR 10 2HD TYR 10 -10.524 12.119 -1.299
77 HE1 TYR 10 1HE TYR 10 -10.562 9.103 2.588
78 HE2 TYR 10 2HE TYR 10 -10.583 13.054 0.975
79 HH TYR 10 HH TYR 10 -10.226 12.531 3.199
80 H ALA 11 H ALA 11 -8.215 10.516 -4.430
81 HA ALA 11 HA ALA 11 -6.452 12.095 -2.685
82 1HB ALA 11 1HB ALA 11 -6.143 11.015 -5.414
83 2HB ALA 11 2HB ALA 11 -4.941 11.266 -4.149
84 3HB ALA 11 3HB ALA 11 -5.486 12.626 -5.131
85 H GLY 12 H GLY 12 -7.313 13.985 -2.176
86 1HA GLY 12 2HA GLY 12 -8.140 15.791 -4.270
87 2HA GLY 12 1HA GLY 12 -9.451 15.281 -3.215
88 H ALA 13 H ALA 13 -9.778 16.440 -1.424
89 HA ALA 13 HA ALA 13 -8.100 18.624 -0.855
90 1HB ALA 13 1HB ALA 13 -10.620 18.641 -0.774
91 2HB ALA 13 2HB ALA 13 -9.788 19.400 0.584
92 3HB ALA 13 3HB ALA 13 -10.473 17.784 0.761
93 H CYS 14 H CYS 14 -6.171 17.395 -0.231
94 HA CYS 14 HA CYS 14 -6.066 17.049 2.635
95 1HB CYS 14 2HB CYS 14 -5.093 14.715 1.014
96 2HB CYS 14 1HB CYS 14 -5.389 14.806 2.741
97 H ARG 15 H ARG 15 -3.721 16.296 3.224
98 HA ARG 15 HA ARG 15 -1.709 17.118 1.316
99 1HB ARG 15 2HB ARG 15 -0.760 18.817 2.935
100 2HB ARG 15 1HB ARG 15 -2.238 19.290 2.108
101 1HG ARG 15 2HG ARG 15 -3.545 18.954 4.043
102 2HG ARG 15 1HG ARG 15 -2.241 18.098 4.865
103 1HD ARG 15 2HD ARG 15 -1.460 20.005 5.692
104 2HD ARG 15 1HD ARG 15 -1.325 20.686 4.073
105 HE ARG 15 HE ARG 15 -3.888 20.742 5.509
106 1HH1 ARG 15 1HH1 ARG 15 -1.254 22.434 3.949
107 2HH1 ARG 15 2HH1 ARG 15 -2.073 23.958 3.957
108 1HH2 ARG 15 1HH2 ARG 15 -4.952 22.747 5.518
109 2HH2 ARG 15 2HH2 ARG 15 -4.166 24.138 4.848
110 H ALA 16 H ALA 16 -0.936 15.020 1.592
111 HA ALA 16 HA ALA 16 0.928 14.706 3.731
112 1HB ALA 16 1HB ALA 16 -1.262 14.018 4.774
113 2HB ALA 16 2HB ALA 16 0.029 12.818 4.835
114 3HB ALA 16 3HB ALA 16 -1.269 12.655 3.652
115 H ALA 17 H ALA 17 2.495 13.213 3.254
116 HA ALA 17 HA ALA 17 2.152 11.260 1.245
117 1HB ALA 17 1HB ALA 17 3.051 13.822 0.437
118 2HB ALA 17 2HB ALA 17 2.882 12.363 -0.540
119 3HB ALA 17 3HB ALA 17 4.402 12.699 0.288
120 H ALA 18 H ALA 18 2.734 10.909 3.817
121 HA ALA 18 HA ALA 18 5.526 10.815 4.381
122 1HB ALA 18 1HB ALA 18 4.135 8.961 6.016
123 2HB ALA 18 2HB ALA 18 3.104 10.375 5.801
124 3HB ALA 18 3HB ALA 18 4.736 10.563 6.439
125 H ALA 19 H ALA 19 6.220 8.459 5.313
126 HA ALA 19 HA ALA 19 6.540 6.871 2.944
127 1HB ALA 19 1HB ALA 19 7.570 6.632 5.753
128 2HB ALA 19 2HB ALA 19 8.461 7.009 4.279
129 3HB ALA 19 3HB ALA 19 7.848 5.377 4.545
130 H ARG 20 H ARG 20 4.024 6.652 2.990
131 HA ARG 20 HA ARG 20 3.457 4.040 4.211
132 1HB ARG 20 2HB ARG 20 1.625 6.433 4.188
133 2HB ARG 20 1HB ARG 20 1.078 4.797 4.526
134 1HG ARG 20 2HG ARG 20 1.818 4.858 6.620
135 2HG ARG 20 1HG ARG 20 3.361 5.570 6.153
136 1HD ARG 20 2HD ARG 20 2.666 7.472 7.077
137 2HD ARG 20 1HD ARG 20 1.483 7.597 5.776
138 HE ARG 20 HE ARG 20 0.252 5.992 7.564
139 1HH1 ARG 20 1HH1 ARG 20 1.794 9.110 7.830
140 2HH1 ARG 20 2HH1 ARG 20 0.786 9.638 9.136
141 1HH2 ARG 20 1HH2 ARG 20 -1.075 6.683 9.282
142 2HH2 ARG 20 2HH2 ARG 20 -0.844 8.260 9.960
143 H TYR 21 H TYR 21 1.592 2.947 3.188
144 HA TYR 21 HA TYR 21 1.113 3.726 0.414
145 1HB TYR 21 2HB TYR 21 2.013 0.931 1.097
146 2HB TYR 21 1HB TYR 21 1.797 1.636 -0.500
147 HD1 TYR 21 1HD TYR 21 3.669 2.374 -1.633
148 HD2 TYR 21 2HD TYR 21 3.803 2.160 2.612
149 HE1 TYR 21 1HE TYR 21 6.049 2.980 -1.684
150 HE2 TYR 21 2HE TYR 21 6.184 2.770 2.573
151 HH TYR 21 HH TYR 21 8.080 2.590 -0.086
152 H PHE 22 H PHE 22 -0.353 1.930 -0.621
153 HA PHE 22 HA PHE 22 -2.257 0.763 1.240
154 1HB PHE 22 2HB PHE 22 -4.176 1.811 -0.012
155 2HB PHE 22 1HB PHE 22 -3.284 2.885 1.047
156 HD1 PHE 22 1HD PHE 22 -3.740 1.892 -2.481
157 HD2 PHE 22 2HD PHE 22 -2.259 4.829 0.213
158 HE1 PHE 22 1HE PHE 22 -3.407 3.443 -4.361
159 HE2 PHE 22 2HE PHE 22 -1.924 6.384 -1.660
160 HZ PHE 22 HZ PHE 22 -2.498 5.693 -3.950
161 H TYR 23 H TYR 23 -3.747 -0.722 0.164
162 HA TYR 23 HA TYR 23 -2.402 -2.013 -2.070
163 1HB TYR 23 2HB TYR 23 -3.279 -3.378 -0.215
164 2HB TYR 23 1HB TYR 23 -4.922 -2.855 -0.611
165 HD1 TYR 23 1HD TYR 23 -1.960 -4.383 -2.320
166 HD2 TYR 23 2HD TYR 23 -6.188 -4.286 -1.907
167 HE1 TYR 23 1HE TYR 23 -2.156 -6.228 -3.932
168 HE2 TYR 23 2HE TYR 23 -6.399 -6.129 -3.512
169 HH TYR 23 HH TYR 23 -5.260 -7.284 -5.154
170 H ASN 24 H ASN 24 -3.232 -2.363 -4.099
171 HA ASN 24 HA ASN 24 -5.588 -0.747 -4.836
172 1HB ASN 24 2HB ASN 24 -3.500 0.163 -5.764
173 2HB ASN 24 1HB ASN 24 -3.143 -1.396 -6.507
174 1HD2 ASN 24 1HD2 ASN 24 -3.541 1.268 -7.661
175 2HD2 ASN 24 2HD2 ASN 24 -4.791 1.065 -8.843
176 H ALA 25 H ALA 25 -7.051 -2.453 -4.570
177 HA ALA 25 HA ALA 25 -6.794 -5.063 -5.435
178 1HB ALA 25 1HB ALA 25 -9.186 -3.288 -5.098
179 2HB ALA 25 2HB ALA 25 -8.637 -4.619 -4.078
180 3HB ALA 25 3HB ALA 25 -9.354 -4.952 -5.655
181 H LYS 26 H LYS 26 -7.308 -2.201 -7.312
182 HA LYS 26 HA LYS 26 -8.229 -3.620 -9.657
183 1HB LYS 26 2HB LYS 26 -8.268 -0.937 -8.746
184 2HB LYS 26 1HB LYS 26 -7.373 -0.956 -10.259
185 1HG LYS 26 2HG LYS 26 -9.309 -0.949 -11.330
186 2HG LYS 26 1HG LYS 26 -9.611 -2.570 -10.702
187 1HD LYS 26 2HD LYS 26 -10.487 -1.383 -8.604
188 2HD LYS 26 1HD LYS 26 -10.521 0.073 -9.602
189 1HE LYS 26 2HE LYS 26 -12.585 -0.598 -10.161
190 2HE LYS 26 1HE LYS 26 -11.760 -1.742 -11.218
191 1HZ LYS 26 1HZ LYS 26 -13.541 -2.508 -9.452
192 2HZ LYS 26 2HZ LYS 26 -12.185 -2.542 -8.442
193 3HZ LYS 26 3HZ LYS 26 -12.211 -3.476 -9.852
194 H ALA 27 H ALA 27 -5.224 -3.266 -8.260
195 HA ALA 27 HA ALA 27 -3.934 -3.772 -10.849
196 1HB ALA 27 1HB ALA 27 -3.426 -1.502 -9.088
197 2HB ALA 27 2HB ALA 27 -3.050 -1.724 -10.795
198 3HB ALA 27 3HB ALA 27 -1.974 -2.381 -9.562
199 H GLY 28 H GLY 28 -4.465 -4.878 -7.781
200 1HA GLY 28 2HA GLY 28 -3.630 -6.672 -6.659
201 2HA GLY 28 1HA GLY 28 -2.622 -6.954 -8.052
202 H LEU 29 H LEU 29 -1.837 -3.921 -7.201
203 HA LEU 29 HA LEU 29 0.171 -4.806 -5.243
204 1HB LEU 29 2HB LEU 29 0.540 -3.545 -7.866
205 2HB LEU 29 1HB LEU 29 1.447 -2.785 -6.572
206 HG LEU 29 HG LEU 29 1.720 -5.669 -6.479
207 1HD1 LEU 29 1HD1 LEU 29 2.605 -6.194 -8.518
208 2HD1 LEU 29 2HD1 LEU 29 3.025 -4.522 -8.892
209 3HD1 LEU 29 3HD1 LEU 29 1.349 -5.057 -9.008
210 1HD2 LEU 29 1HD2 LEU 29 3.738 -3.474 -6.923
211 2HD2 LEU 29 2HD2 LEU 29 4.072 -5.121 -6.392
212 3HD2 LEU 29 3HD2 LEU 29 3.168 -4.025 -5.348
213 H CYS 30 H CYS 30 1.344 -2.744 -4.310
214 HA CYS 30 HA CYS 30 -0.805 -0.995 -3.362
215 1HB CYS 30 2HB CYS 30 1.929 -1.089 -2.136
216 2HB CYS 30 1HB CYS 30 0.399 -0.640 -1.399
217 H GLN 31 H GLN 31 0.031 1.227 -2.659
218 HA GLN 31 HA GLN 31 1.992 2.381 -4.458
219 1HB GLN 31 2HB GLN 31 -0.681 2.410 -5.195
220 2HB GLN 31 1HB GLN 31 -0.433 3.997 -4.478
221 1HG GLN 31 2HG GLN 31 0.322 4.620 -6.468
222 2HG GLN 31 1HG GLN 31 1.773 3.693 -6.089
223 1HE2 GLN 31 1HE2 GLN 31 -1.527 2.764 -7.000
224 2HE2 GLN 31 2HE2 GLN 31 -1.068 1.802 -8.360
225 H THR 32 H THR 32 2.717 4.471 -3.814
226 HA THR 32 HA THR 32 2.502 4.931 -0.982
227 HB THR 32 HB THR 32 4.580 5.259 -2.506
228 HG1 THR 32 1HG THR 32 3.738 6.977 -0.444
229 1HG2 THR 32 1HG2 THR 32 3.344 7.986 -2.811
230 2HG2 THR 32 2HG2 THR 32 3.528 6.804 -4.108
231 3HG2 THR 32 3HG2 THR 32 4.955 7.485 -3.329
232 H PHE 33 H PHE 33 1.711 6.789 0.046
233 HA PHE 33 HA PHE 33 -0.700 7.810 -1.034
234 1HB PHE 33 2HB PHE 33 0.915 8.314 1.427
235 2HB PHE 33 1HB PHE 33 -0.313 9.497 0.985
236 HD1 PHE 33 1HD PHE 33 -2.694 8.765 0.769
237 HD2 PHE 33 2HD PHE 33 0.336 6.242 2.370
238 HE1 PHE 33 1HE PHE 33 -4.419 7.326 1.763
239 HE2 PHE 33 2HE PHE 33 -1.389 4.799 3.365
240 HZ PHE 33 HZ PHE 33 -3.770 5.340 3.060
241 H ALA 34 H ALA 34 -0.779 9.226 -2.678
242 HA ALA 34 HA ALA 34 1.384 10.967 -3.348
243 1HB ALA 34 1HB ALA 34 -0.460 11.948 -4.907
244 2HB ALA 34 2HB ALA 34 -1.381 10.534 -4.397
245 3HB ALA 34 3HB ALA 34 0.173 10.330 -5.207
246 H TYR 35 H TYR 35 1.240 13.317 -3.485
247 HA TYR 35 HA TYR 35 0.457 14.496 -1.041
248 1HB TYR 35 2HB TYR 35 2.222 15.217 -2.892
249 2HB TYR 35 1HB TYR 35 0.878 16.211 -3.446
250 HD1 TYR 35 1HD TYR 35 -0.312 17.599 -1.532
251 HD2 TYR 35 2HD TYR 35 3.663 16.102 -1.318
252 HE1 TYR 35 1HE TYR 35 0.217 19.270 0.191
253 HE2 TYR 35 2HE TYR 35 4.205 17.769 0.406
254 HH TYR 35 HH TYR 35 2.348 19.190 2.236
255 H GLY 36 H GLY 36 -1.812 13.557 -1.334
256 1HA GLY 36 2HA GLY 36 -3.684 15.557 -1.452
257 2HA GLY 36 1HA GLY 36 -3.638 14.773 -3.014
258 H ALA 37 H ALA 37 -2.968 12.169 -2.043
259 HA ALA 37 HA ALA 37 -5.567 11.162 -1.578
260 1HB ALA 37 1HB ALA 37 -3.721 9.923 -2.714
261 2HB ALA 37 2HB ALA 37 -4.560 9.000 -1.467
262 3HB ALA 37 3HB ALA 37 -2.975 9.698 -1.132
263 H CYS 38 H CYS 38 -6.685 10.990 0.232
264 HA CYS 38 HA CYS 38 -5.457 11.679 2.752
265 1HB CYS 38 2HB CYS 38 -8.183 11.457 1.691
266 2HB CYS 38 1HB CYS 38 -8.023 10.881 3.348
267 H ALA 39 H ALA 39 -5.538 10.360 4.641
268 HA ALA 39 HA ALA 39 -4.743 7.678 4.171
269 1HB ALA 39 1HB ALA 39 -5.560 8.457 6.904
270 2HB ALA 39 2HB ALA 39 -4.265 9.397 6.160
271 3HB ALA 39 3HB ALA 39 -4.096 7.651 6.341
272 H ALA 40 H ALA 40 -5.994 6.001 3.772
273 HA ALA 40 HA ALA 40 -8.823 6.075 4.135
274 1HB ALA 40 1HB ALA 40 -7.540 3.461 3.672
275 2HB ALA 40 2HB ALA 40 -7.215 4.706 2.465
276 3HB ALA 40 3HB ALA 40 -8.878 4.238 2.823
277 H LYS 41 H LYS 41 -9.969 4.217 5.253
278 HA LYS 41 HA LYS 41 -9.414 4.306 7.999
279 1HB LYS 41 2HB LYS 41 -11.468 3.280 6.333
280 2HB LYS 41 1HB LYS 41 -10.960 1.971 7.393
281 1HG LYS 41 2HG LYS 41 -11.344 3.384 9.338
282 2HG LYS 41 1HG LYS 41 -11.827 4.714 8.283
283 1HD LYS 41 2HD LYS 41 -13.858 3.814 7.860
284 2HD LYS 41 1HD LYS 41 -13.243 2.160 7.869
285 1HE LYS 41 2HE LYS 41 -14.436 2.071 9.795
286 2HE LYS 41 1HE LYS 41 -12.939 2.725 10.456
287 1HZ LYS 41 1HZ LYS 41 -14.348 4.920 9.629
288 2HZ LYS 41 2HZ LYS 41 -14.177 4.384 11.222
289 3HZ LYS 41 3HZ LYS 41 -15.525 3.917 10.315
290 H ARG 42 H ARG 42 -9.554 1.242 6.204
291 HA ARG 42 HA ARG 42 -7.491 0.172 7.943
292 1HB ARG 42 2HB ARG 42 -9.512 -1.036 6.095
293 2HB ARG 42 1HB ARG 42 -8.120 -1.980 6.607
294 1HG ARG 42 2HG ARG 42 -10.077 -0.671 8.483
295 2HG ARG 42 1HG ARG 42 -10.144 -2.360 7.974
296 1HD ARG 42 2HD ARG 42 -7.761 -1.116 9.338
297 2HD ARG 42 1HD ARG 42 -9.050 -1.949 10.199
298 HE ARG 42 HE ARG 42 -7.132 -3.175 8.345
299 1HH1 ARG 42 1HH1 ARG 42 -9.645 -3.520 10.755
300 2HH1 ARG 42 2HH1 ARG 42 -9.362 -5.212 10.977
301 1HH2 ARG 42 1HH2 ARG 42 -6.772 -5.396 8.642
302 2HH2 ARG 42 2HH2 ARG 42 -7.737 -6.277 9.779
303 H ASN 43 H ASN 43 -7.958 1.053 4.592
304 HA ASN 43 HA ASN 43 -5.715 -0.357 3.579
305 1HB ASN 43 2HB ASN 43 -7.911 0.987 2.536
306 2HB ASN 43 1HB ASN 43 -6.545 1.988 2.048
307 1HD2 ASN 43 1HD2 ASN 43 -7.643 -1.297 2.224
308 2HD2 ASN 43 2HD2 ASN 43 -6.924 -1.844 0.737
309 H ASN 44 H ASN 44 -4.236 0.447 5.337
310 HA ASN 44 HA ASN 44 -2.589 2.553 4.275
311 1HB ASN 44 2HB ASN 44 -2.623 3.977 6.265
312 2HB ASN 44 1HB ASN 44 -4.234 3.854 5.559
313 1HD2 ASN 44 1HD2 ASN 44 -5.740 2.390 6.557
314 2HD2 ASN 44 2HD2 ASN 44 -5.633 2.083 8.254
315 H PHE 45 H PHE 45 -0.786 1.271 4.229
316 HA PHE 45 HA PHE 45 -0.007 -0.070 6.729
317 1HB PHE 45 2HB PHE 45 0.805 -0.564 3.855
318 2HB PHE 45 1HB PHE 45 1.547 -1.366 5.239
319 HD1 PHE 45 1HD PHE 45 -1.412 -1.119 3.137
320 HD2 PHE 45 2HD PHE 45 0.306 -3.003 6.543
321 HE1 PHE 45 1HE PHE 45 -3.201 -2.803 3.101
322 HE2 PHE 45 2HE PHE 45 -1.478 -4.699 6.511
323 HZ PHE 45 HZ PHE 45 -3.235 -4.601 4.787
324 H LYS 46 H LYS 46 1.870 0.459 7.733
325 HA LYS 46 HA LYS 46 3.068 2.950 7.192
326 1HB LYS 46 2HB LYS 46 3.042 1.194 9.318
327 2HB LYS 46 1HB LYS 46 4.714 1.127 8.779
328 1HG LYS 46 2HG LYS 46 4.770 3.622 8.903
329 2HG LYS 46 1HG LYS 46 3.169 3.558 9.643
330 1HD LYS 46 2HD LYS 46 4.198 3.342 11.609
331 2HD LYS 46 1HD LYS 46 4.682 1.726 11.091
332 1HE LYS 46 2HE LYS 46 6.340 3.979 10.133
333 2HE LYS 46 1HE LYS 46 6.426 3.613 11.855
334 1HZ LYS 46 1HZ LYS 46 8.049 2.259 11.008
335 2HZ LYS 46 2HZ LYS 46 7.221 1.956 9.564
336 3HZ LYS 46 3HZ LYS 46 6.731 1.197 10.994
337 H SER 47 H SER 47 3.562 -0.058 5.721
338 HA SER 47 HA SER 47 5.819 0.990 4.248
339 1HB SER 47 2HB SER 47 6.743 -1.570 4.801
340 2HB SER 47 1HB SER 47 7.372 -0.068 5.475
341 HG SER 47 HG SER 47 6.551 -0.588 7.339
342 H ALA 48 H ALA 48 6.151 -0.007 2.269
343 HA ALA 48 HA ALA 48 3.894 -1.181 1.065
344 1HB ALA 48 1HB ALA 48 5.076 -0.473 -0.703
345 2HB ALA 48 2HB ALA 48 6.066 -1.920 -0.523
346 3HB ALA 48 3HB ALA 48 6.567 -0.411 0.239
347 H GLU 49 H GLU 49 6.809 -2.536 2.491
348 HA GLU 49 HA GLU 49 6.454 -5.196 1.680
349 1HB GLU 49 2HB GLU 49 7.880 -3.834 3.918
350 2HB GLU 49 1HB GLU 49 7.589 -5.560 4.080
351 1HG GLU 49 2HG GLU 49 8.801 -6.015 2.066
352 2HG GLU 49 1HG GLU 49 8.964 -4.293 1.724
353 H ASP 50 H ASP 50 5.144 -3.283 4.312
354 HA ASP 50 HA ASP 50 3.794 -5.389 5.643
355 1HB ASP 50 2HB ASP 50 4.218 -2.652 6.073
356 2HB ASP 50 1HB ASP 50 2.470 -2.835 5.950
357 H CYS 51 H CYS 51 2.690 -2.988 3.199
358 HA CYS 51 HA CYS 51 0.002 -3.875 3.158
359 1HB CYS 51 2HB CYS 51 0.472 -1.744 2.203
360 2HB CYS 51 1HB CYS 51 1.731 -2.406 1.161
361 H LEU 52 H LEU 52 2.712 -4.539 0.998
362 HA LEU 52 HA LEU 52 1.539 -6.363 -0.702
363 1HB LEU 52 2HB LEU 52 4.334 -5.935 0.278
364 2HB LEU 52 1HB LEU 52 3.979 -7.277 -0.799
365 HG LEU 52 HG LEU 52 3.567 -4.346 -1.384
366 1HD1 LEU 52 1HD1 LEU 52 5.865 -4.849 -1.568
367 2HD1 LEU 52 2HD1 LEU 52 5.228 -4.883 -3.212
368 3HD1 LEU 52 3HD1 LEU 52 5.542 -6.392 -2.358
369 1HD2 LEU 52 1HD2 LEU 52 2.373 -6.712 -2.557
370 2HD2 LEU 52 2HD2 LEU 52 3.290 -5.778 -3.740
371 3HD2 LEU 52 3HD2 LEU 52 1.999 -5.008 -2.818
372 H ARG 53 H ARG 53 3.117 -6.957 2.434
373 HA ARG 53 HA ARG 53 3.025 -9.758 2.339
374 1HB ARG 53 2HB ARG 53 3.673 -7.749 4.291
375 2HB ARG 53 1HB ARG 53 2.691 -8.997 5.038
376 1HG ARG 53 2HG ARG 53 4.755 -10.134 3.363
377 2HG ARG 53 1HG ARG 53 5.423 -9.070 4.602
378 1HD ARG 53 2HD ARG 53 4.517 -10.335 6.344
379 2HD ARG 53 1HD ARG 53 3.360 -11.136 5.282
380 HE ARG 53 HE ARG 53 5.834 -11.885 4.359
381 1HH1 ARG 53 1HH1 ARG 53 4.118 -12.124 7.388
382 2HH1 ARG 53 2HH1 ARG 53 4.901 -13.592 7.860
383 1HH2 ARG 53 1HH2 ARG 53 6.869 -13.816 4.979
384 2HH2 ARG 53 2HH2 ARG 53 6.467 -14.554 6.494
385 H THR 54 H THR 54 0.786 -7.512 3.980
386 HA THR 54 HA THR 54 -1.057 -9.622 4.593
387 HB THR 54 HB THR 54 -1.604 -6.660 4.728
388 HG1 THR 54 1HG THR 54 -0.288 -8.313 6.620
389 1HG2 THR 54 1HG2 THR 54 -3.487 -8.257 5.154
390 2HG2 THR 54 2HG2 THR 54 -3.104 -7.161 6.481
391 3HG2 THR 54 3HG2 THR 54 -2.576 -8.843 6.545
392 H CYS 55 H CYS 55 -1.212 -6.811 2.404
393 HA CYS 55 HA CYS 55 -3.667 -7.798 1.275
394 1HB CYS 55 2HB CYS 55 -2.035 -5.318 0.759
395 2HB CYS 55 1HB CYS 55 -3.486 -5.717 -0.148
396 H GLY 56 H GLY 56 -0.299 -7.473 0.244
397 1HA GLY 56 2HA GLY 56 -0.798 -8.125 -2.485
398 2HA GLY 56 1HA GLY 56 0.763 -8.163 -1.683
399 H GLY 57 H GLY 57 -2.168 -10.004 -2.342
400 1HA GLY 57 2HA GLY 57 -0.844 -12.464 -1.432
401 2HA GLY 57 1HA GLY 57 -2.552 -12.288 -1.803
402 H ALA 58 H ALA 58 -0.130 -11.024 -3.962
403 HA ALA 58 HA ALA 58 -1.125 -12.650 -6.108
404 1HB ALA 58 1HB ALA 58 1.272 -10.823 -6.136
405 2HB ALA 58 2HB ALA 58 -0.390 -10.284 -6.381
406 3HB ALA 58 3HB ALA 58 0.351 -11.406 -7.523
Start of MODEL 4
1 1H ARG 1 1HT ARG 1 -7.966 -13.214 -0.719
2 2H ARG 1 2HT ARG 1 -9.489 -12.616 -0.198
3 3H ARG 1 3HT ARG 1 -8.375 -13.246 0.945
4 HA ARG 1 HA ARG 1 -6.896 -11.492 0.607
5 1HB ARG 1 2HB ARG 1 -7.329 -9.751 -1.044
6 2HB ARG 1 1HB ARG 1 -7.253 -11.326 -1.821
7 1HG ARG 1 2HG ARG 1 -9.948 -10.930 -1.170
8 2HG ARG 1 1HG ARG 1 -9.373 -9.392 -1.818
9 1HD ARG 1 2HD ARG 1 -8.435 -11.682 -3.352
10 2HD ARG 1 1HD ARG 1 -10.193 -11.584 -3.284
11 HE ARG 1 HE ARG 1 -10.122 -9.647 -4.534
12 1HH1 ARG 1 1HH1 ARG 1 -6.883 -10.557 -3.590
13 2HH1 ARG 1 2HH1 ARG 1 -6.123 -9.433 -4.663
14 1HH2 ARG 1 1HH2 ARG 1 -9.119 -8.170 -5.942
15 2HH2 ARG 1 2HH2 ARG 1 -7.390 -8.078 -5.997
16 HA PRO 2 HA PRO 2 -9.360 -9.439 3.649
17 1HB PRO 2 2HB PRO 2 -7.544 -7.149 3.492
18 2HB PRO 2 1HB PRO 2 -7.830 -8.263 4.833
19 1HG PRO 2 2HG PRO 2 -5.529 -8.252 3.390
20 2HG PRO 2 1HG PRO 2 -6.191 -9.711 4.151
21 1HD PRO 2 2HD PRO 2 -6.256 -8.868 1.290
22 2HD PRO 2 1HD PRO 2 -6.094 -10.491 1.992
23 H ASP 3 H ASP 3 -11.148 -8.263 3.495
24 HA ASP 3 HA ASP 3 -12.107 -7.111 1.213
25 1HB ASP 3 2HB ASP 3 -12.846 -7.088 4.038
26 2HB ASP 3 1HB ASP 3 -13.367 -5.636 3.186
27 H PHE 4 H PHE 4 -10.756 -5.252 3.950
28 HA PHE 4 HA PHE 4 -11.004 -2.734 2.894
29 1HB PHE 4 2HB PHE 4 -8.967 -2.141 4.281
30 2HB PHE 4 1HB PHE 4 -10.323 -2.872 5.139
31 HD1 PHE 4 1HD PHE 4 -10.167 -5.282 5.804
32 HD2 PHE 4 2HD PHE 4 -6.845 -3.117 4.265
33 HE1 PHE 4 1HE PHE 4 -8.642 -6.970 6.731
34 HE2 PHE 4 2HE PHE 4 -5.314 -4.805 5.187
35 HZ PHE 4 HZ PHE 4 -6.212 -6.734 6.421
36 H CYS 5 H CYS 5 -8.685 -5.160 1.973
37 HA CYS 5 HA CYS 5 -6.745 -3.531 0.775
38 1HB CYS 5 2HB CYS 5 -7.630 -6.302 -0.031
39 2HB CYS 5 1HB CYS 5 -6.156 -5.503 -0.566
40 H LEU 6 H LEU 6 -9.933 -4.364 -0.159
41 HA LEU 6 HA LEU 6 -9.606 -3.660 -2.944
42 1HB LEU 6 2HB LEU 6 -12.241 -3.861 -1.515
43 2HB LEU 6 1HB LEU 6 -11.888 -4.164 -3.205
44 HG LEU 6 HG LEU 6 -10.895 -5.919 -0.959
45 1HD1 LEU 6 1HD1 LEU 6 -13.355 -6.164 -2.679
46 2HD1 LEU 6 2HD1 LEU 6 -13.278 -6.045 -0.921
47 3HD1 LEU 6 3HD1 LEU 6 -12.674 -7.488 -1.734
48 1HD2 LEU 6 1HD2 LEU 6 -11.236 -6.909 -3.716
49 2HD2 LEU 6 2HD2 LEU 6 -9.964 -7.236 -2.539
50 3HD2 LEU 6 3HD2 LEU 6 -9.939 -5.739 -3.471
51 H GLU 7 H GLU 7 -10.022 -1.965 -0.039
52 HA GLU 7 HA GLU 7 -11.556 0.231 -1.017
53 1HB GLU 7 2HB GLU 7 -11.053 -0.554 1.449
54 2HB GLU 7 1HB GLU 7 -9.664 0.515 1.282
55 1HG GLU 7 2HG GLU 7 -10.918 2.383 1.337
56 2HG GLU 7 1HG GLU 7 -12.263 1.639 0.474
57 HA PRO 8 HA PRO 8 -8.078 2.007 -3.236
58 1HB PRO 8 2HB PRO 8 -9.425 4.063 -4.359
59 2HB PRO 8 1HB PRO 8 -9.558 2.406 -4.960
60 1HG PRO 8 2HG PRO 8 -11.421 3.934 -3.187
61 2HG PRO 8 1HG PRO 8 -11.797 2.856 -4.543
62 1HD PRO 8 2HD PRO 8 -11.960 2.093 -1.929
63 2HD PRO 8 1HD PRO 8 -11.603 0.966 -3.254
64 HA PRO 9 HA PRO 9 -6.298 5.161 -0.731
65 1HB PRO 9 2HB PRO 9 -6.216 7.167 -2.797
66 2HB PRO 9 1HB PRO 9 -4.887 6.229 -2.124
67 1HG PRO 9 2HG PRO 9 -6.376 5.834 -4.609
68 2HG PRO 9 1HG PRO 9 -4.813 5.165 -4.126
69 1HD PRO 9 2HD PRO 9 -7.086 3.683 -4.345
70 2HD PRO 9 1HD PRO 9 -5.766 3.280 -3.226
71 H TYR 10 H TYR 10 -6.592 7.415 -0.022
72 HA TYR 10 HA TYR 10 -9.387 7.966 0.377
73 1HB TYR 10 2HB TYR 10 -7.585 8.190 2.116
74 2HB TYR 10 1HB TYR 10 -7.011 9.596 1.242
75 HD1 TYR 10 1HD TYR 10 -8.385 11.654 1.160
76 HD2 TYR 10 2HD TYR 10 -9.505 8.301 3.528
77 HE1 TYR 10 1HE TYR 10 -9.928 13.078 2.439
78 HE2 TYR 10 2HE TYR 10 -11.053 9.715 4.809
79 HH TYR 10 HH TYR 10 -11.414 12.032 5.346
80 H ALA 11 H ALA 11 -10.177 10.240 0.170
81 HA ALA 11 HA ALA 11 -9.021 11.675 -2.118
82 1HB ALA 11 1HB ALA 11 -11.256 11.968 -3.108
83 2HB ALA 11 2HB ALA 11 -11.922 10.882 -1.888
84 3HB ALA 11 3HB ALA 11 -10.756 10.277 -3.064
85 H GLY 12 H GLY 12 -8.325 13.319 -0.755
86 1HA GLY 12 2HA GLY 12 -10.467 15.106 0.155
87 2HA GLY 12 1HA GLY 12 -9.249 14.618 1.325
88 H ALA 13 H ALA 13 -8.914 16.960 1.443
89 HA ALA 13 HA ALA 13 -7.647 18.214 -0.757
90 1HB ALA 13 1HB ALA 13 -8.504 19.147 1.938
91 2HB ALA 13 2HB ALA 13 -9.047 19.687 0.349
92 3HB ALA 13 3HB ALA 13 -7.446 20.139 0.935
93 H CYS 14 H CYS 14 -6.223 15.971 0.273
94 HA CYS 14 HA CYS 14 -4.083 16.902 1.938
95 1HB CYS 14 2HB CYS 14 -3.811 14.427 0.285
96 2HB CYS 14 1HB CYS 14 -3.293 14.731 1.937
97 H ARG 15 H ARG 15 -1.822 16.963 1.298
98 HA ARG 15 HA ARG 15 -1.172 17.095 -1.496
99 1HB ARG 15 2HB ARG 15 -0.374 19.455 -1.410
100 2HB ARG 15 1HB ARG 15 -2.120 19.288 -1.313
101 1HG ARG 15 2HG ARG 15 -2.215 20.225 0.709
102 2HG ARG 15 1HG ARG 15 -0.807 19.337 1.293
103 1HD ARG 15 2HD ARG 15 -0.411 21.756 1.264
104 2HD ARG 15 1HD ARG 15 0.673 20.901 0.167
105 HE ARG 15 HE ARG 15 -1.672 21.831 -1.161
106 1HH1 ARG 15 1HH1 ARG 15 1.447 22.838 0.037
107 2HH1 ARG 15 2HH1 ARG 15 1.597 24.145 -1.089
108 1HH2 ARG 15 1HH2 ARG 15 -1.476 23.549 -2.643
109 2HH2 ARG 15 2HH2 ARG 15 -0.062 24.550 -2.610
110 H ALA 16 H ALA 16 0.561 15.803 -1.345
111 HA ALA 16 HA ALA 16 2.679 15.110 -0.894
112 1HB ALA 16 1HB ALA 16 3.755 17.050 -1.361
113 2HB ALA 16 2HB ALA 16 4.105 16.974 0.366
114 3HB ALA 16 3HB ALA 16 2.791 17.990 -0.222
115 H ALA 17 H ALA 17 2.239 13.486 0.549
116 HA ALA 17 HA ALA 17 3.113 13.877 3.193
117 1HB ALA 17 1HB ALA 17 1.031 13.045 4.292
118 2HB ALA 17 2HB ALA 17 0.203 13.284 2.752
119 3HB ALA 17 3HB ALA 17 0.902 14.663 3.603
120 H ALA 18 H ALA 18 4.246 12.335 1.378
121 HA ALA 18 HA ALA 18 3.280 9.665 1.261
122 1HB ALA 18 1HB ALA 18 6.146 10.478 0.859
123 2HB ALA 18 2HB ALA 18 4.895 10.801 -0.341
124 3HB ALA 18 3HB ALA 18 5.266 9.140 0.119
125 H ALA 19 H ALA 19 3.364 8.125 2.747
126 HA ALA 19 HA ALA 19 5.615 7.745 4.462
127 1HB ALA 19 1HB ALA 19 4.902 9.284 5.974
128 2HB ALA 19 2HB ALA 19 3.966 7.900 6.537
129 3HB ALA 19 3HB ALA 19 3.208 9.118 5.513
130 H ARG 20 H ARG 20 2.142 7.074 4.108
131 HA ARG 20 HA ARG 20 2.623 4.282 4.865
132 1HB ARG 20 2HB ARG 20 0.090 5.907 4.605
133 2HB ARG 20 1HB ARG 20 0.098 4.168 4.893
134 1HG ARG 20 2HG ARG 20 1.805 5.206 6.825
135 2HG ARG 20 1HG ARG 20 0.465 6.352 6.746
136 1HD ARG 20 2HD ARG 20 -0.377 3.556 6.701
137 2HD ARG 20 1HD ARG 20 0.487 4.005 8.169
138 HE ARG 20 HE ARG 20 -2.106 4.972 7.294
139 1HH1 ARG 20 1HH1 ARG 20 0.578 5.371 9.495
140 2HH1 ARG 20 2HH1 ARG 20 -0.347 6.259 10.656
141 1HH2 ARG 20 1HH2 ARG 20 -3.320 6.143 8.822
142 2HH2 ARG 20 2HH2 ARG 20 -2.559 6.699 10.275
143 H TYR 21 H TYR 21 0.919 2.791 3.639
144 HA TYR 21 HA TYR 21 1.014 3.385 0.766
145 1HB TYR 21 2HB TYR 21 1.800 0.726 1.973
146 2HB TYR 21 1HB TYR 21 1.764 1.122 0.259
147 HD1 TYR 21 1HD TYR 21 3.700 1.844 -0.780
148 HD2 TYR 21 2HD TYR 21 3.388 2.177 3.450
149 HE1 TYR 21 1HE TYR 21 6.055 2.540 -0.668
150 HE2 TYR 21 2HE TYR 21 5.742 2.877 3.574
151 HH TYR 21 HH TYR 21 7.865 2.687 0.851
152 H PHE 22 H PHE 22 -0.342 1.770 -0.492
153 HA PHE 22 HA PHE 22 -2.529 0.584 1.036
154 1HB PHE 22 2HB PHE 22 -4.253 1.621 -0.387
155 2HB PHE 22 1HB PHE 22 -3.387 2.811 0.564
156 HD1 PHE 22 1HD PHE 22 -1.886 4.405 -0.518
157 HD2 PHE 22 2HD PHE 22 -4.059 1.526 -2.772
158 HE1 PHE 22 1HE PHE 22 -1.406 5.660 -2.578
159 HE2 PHE 22 2HE PHE 22 -3.582 2.775 -4.836
160 HZ PHE 22 HZ PHE 22 -2.254 4.846 -4.741
161 H TYR 23 H TYR 23 -3.821 -0.873 -0.223
162 HA TYR 23 HA TYR 23 -2.193 -2.209 -2.236
163 1HB TYR 23 2HB TYR 23 -3.288 -3.558 -0.499
164 2HB TYR 23 1HB TYR 23 -4.872 -3.027 -1.077
165 HD1 TYR 23 1HD TYR 23 -1.750 -4.624 -2.384
166 HD2 TYR 23 2HD TYR 23 -5.994 -4.423 -2.549
167 HE1 TYR 23 1HE TYR 23 -1.771 -6.473 -4.005
168 HE2 TYR 23 2HE TYR 23 -6.027 -6.272 -4.166
169 HH TYR 23 HH TYR 23 -4.232 -8.317 -4.660
170 H ASN 24 H ASN 24 -2.693 -2.468 -4.351
171 HA ASN 24 HA ASN 24 -4.902 -0.820 -5.390
172 1HB ASN 24 2HB ASN 24 -2.647 -0.145 -6.138
173 2HB ASN 24 1HB ASN 24 -2.386 -1.764 -6.792
174 1HD2 ASN 24 1HD2 ASN 24 -2.269 0.694 -8.211
175 2HD2 ASN 24 2HD2 ASN 24 -3.493 0.632 -9.436
176 H ALA 25 H ALA 25 -6.520 -2.404 -5.194
177 HA ALA 25 HA ALA 25 -6.369 -5.065 -5.919
178 1HB ALA 25 1HB ALA 25 -8.805 -3.345 -6.342
179 2HB ALA 25 2HB ALA 25 -8.280 -3.920 -4.758
180 3HB ALA 25 3HB ALA 25 -8.746 -5.076 -6.007
181 H LYS 26 H LYS 26 -6.491 -2.262 -7.951
182 HA LYS 26 HA LYS 26 -7.133 -3.818 -10.332
183 1HB LYS 26 2HB LYS 26 -6.436 -0.891 -10.259
184 2HB LYS 26 1HB LYS 26 -7.372 -1.761 -11.466
185 1HG LYS 26 2HG LYS 26 -9.261 -1.851 -10.123
186 2HG LYS 26 1HG LYS 26 -8.343 -1.561 -8.645
187 1HD LYS 26 2HD LYS 26 -7.789 0.722 -9.836
188 2HD LYS 26 1HD LYS 26 -9.279 0.366 -10.713
189 1HE LYS 26 2HE LYS 26 -10.504 0.197 -8.633
190 2HE LYS 26 1HE LYS 26 -9.020 0.431 -7.709
191 1HZ LYS 26 1HZ LYS 26 -9.015 2.602 -9.263
192 2HZ LYS 26 2HZ LYS 26 -9.686 2.560 -7.711
193 3HZ LYS 26 3HZ LYS 26 -10.681 2.377 -9.068
194 H ALA 27 H ALA 27 -4.365 -3.370 -8.618
195 HA ALA 27 HA ALA 27 -2.740 -3.687 -11.042
196 1HB ALA 27 1HB ALA 27 -1.818 -1.920 -8.796
197 2HB ALA 27 2HB ALA 27 -2.694 -1.304 -10.197
198 3HB ALA 27 3HB ALA 27 -1.130 -2.093 -10.412
199 H GLY 28 H GLY 28 -3.571 -4.964 -8.108
200 1HA GLY 28 2HA GLY 28 -2.749 -6.693 -6.883
201 2HA GLY 28 1HA GLY 28 -1.643 -6.956 -8.207
202 H LEU 29 H LEU 29 -0.966 -3.908 -7.348
203 HA LEU 29 HA LEU 29 0.977 -4.740 -5.301
204 1HB LEU 29 2HB LEU 29 1.406 -3.557 -7.884
205 2HB LEU 29 1HB LEU 29 1.977 -2.464 -6.638
206 HG LEU 29 HG LEU 29 3.062 -4.805 -5.785
207 1HD1 LEU 29 1HD1 LEU 29 2.259 -6.028 -7.737
208 2HD1 LEU 29 2HD1 LEU 29 4.020 -5.939 -7.719
209 3HD1 LEU 29 3HD1 LEU 29 3.097 -4.894 -8.797
210 1HD2 LEU 29 1HD2 LEU 29 4.663 -3.412 -7.818
211 2HD2 LEU 29 2HD2 LEU 29 5.006 -3.724 -6.117
212 3HD2 LEU 29 3HD2 LEU 29 3.961 -2.378 -6.573
213 H CYS 30 H CYS 30 1.916 -2.718 -4.138
214 HA CYS 30 HA CYS 30 -0.380 -1.078 -3.343
215 1HB CYS 30 2HB CYS 30 2.166 -1.191 -1.778
216 2HB CYS 30 1HB CYS 30 0.537 -0.844 -1.224
217 H GLN 31 H GLN 31 0.269 1.113 -2.469
218 HA GLN 31 HA GLN 31 2.476 2.376 -3.850
219 1HB GLN 31 2HB GLN 31 0.768 2.475 -5.559
220 2HB GLN 31 1HB GLN 31 -0.391 3.130 -4.413
221 1HG GLN 31 2HG GLN 31 0.204 5.151 -5.077
222 2HG GLN 31 1HG GLN 31 1.773 4.879 -4.323
223 1HE2 GLN 31 1HE2 GLN 31 3.487 4.053 -5.626
224 2HE2 GLN 31 2HE2 GLN 31 3.496 4.326 -7.333
225 H THR 32 H THR 32 3.153 4.280 -2.902
226 HA THR 32 HA THR 32 2.223 4.756 -0.228
227 HB THR 32 HB THR 32 4.640 4.950 -1.152
228 HG1 THR 32 1HG THR 32 3.634 7.022 0.498
229 1HG2 THR 32 1HG2 THR 32 3.734 6.801 -2.826
230 2HG2 THR 32 2HG2 THR 32 5.371 6.823 -2.171
231 3HG2 THR 32 3HG2 THR 32 4.122 7.840 -1.454
232 H PHE 33 H PHE 33 0.834 6.242 0.477
233 HA PHE 33 HA PHE 33 -0.930 7.564 -1.211
234 1HB PHE 33 2HB PHE 33 -0.201 8.353 1.622
235 2HB PHE 33 1HB PHE 33 -1.670 8.803 0.764
236 HD1 PHE 33 1HD PHE 33 0.157 6.046 2.331
237 HD2 PHE 33 2HD PHE 33 -3.489 7.286 0.541
238 HE1 PHE 33 1HE PHE 33 -0.934 4.006 3.159
239 HE2 PHE 33 2HE PHE 33 -4.591 5.249 1.365
240 HZ PHE 33 HZ PHE 33 -3.312 3.606 2.676
241 H ALA 34 H ALA 34 -1.272 9.923 -1.441
242 HA ALA 34 HA ALA 34 0.913 11.712 -1.038
243 1HB ALA 34 1HB ALA 34 1.955 11.724 -3.023
244 2HB ALA 34 2HB ALA 34 0.452 11.520 -3.924
245 3HB ALA 34 3HB ALA 34 1.250 10.119 -3.211
246 H TYR 35 H TYR 35 0.360 13.479 -3.183
247 HA TYR 35 HA TYR 35 -1.427 15.233 -2.256
248 1HB TYR 35 2HB TYR 35 -0.728 14.531 -5.093
249 2HB TYR 35 1HB TYR 35 -1.902 15.799 -4.757
250 HD1 TYR 35 1HD TYR 35 -1.193 17.962 -4.207
251 HD2 TYR 35 2HD TYR 35 1.601 14.758 -4.080
252 HE1 TYR 35 1HE TYR 35 0.631 19.574 -3.871
253 HE2 TYR 35 2HE TYR 35 3.434 16.362 -3.744
254 HH TYR 35 HH TYR 35 3.333 19.071 -2.660
255 H GLY 36 H GLY 36 -3.613 15.612 -2.281
256 1HA GLY 36 2HA GLY 36 -5.793 14.996 -2.089
257 2HA GLY 36 1HA GLY 36 -5.568 14.601 -3.778
258 H ALA 37 H ALA 37 -4.065 12.972 -1.021
259 HA ALA 37 HA ALA 37 -5.917 10.780 -1.066
260 1HB ALA 37 1HB ALA 37 -4.208 10.619 -3.094
261 2HB ALA 37 2HB ALA 37 -4.762 9.193 -2.217
262 3HB ALA 37 3HB ALA 37 -3.193 9.904 -1.841
263 H CYS 38 H CYS 38 -6.033 11.124 1.130
264 HA CYS 38 HA CYS 38 -3.643 10.965 2.774
265 1HB CYS 38 2HB CYS 38 -6.549 11.520 3.349
266 2HB CYS 38 1HB CYS 38 -5.412 11.175 4.648
267 H ALA 39 H ALA 39 -3.962 9.601 4.865
268 HA ALA 39 HA ALA 39 -4.114 6.879 4.043
269 1HB ALA 39 1HB ALA 39 -2.762 8.161 6.009
270 2HB ALA 39 2HB ALA 39 -2.974 6.412 5.913
271 3HB ALA 39 3HB ALA 39 -4.052 7.378 6.923
272 H ALA 40 H ALA 40 -5.693 5.497 4.089
273 HA ALA 40 HA ALA 40 -8.299 6.325 4.993
274 1HB ALA 40 1HB ALA 40 -7.243 3.910 3.568
275 2HB ALA 40 2HB ALA 40 -8.387 5.126 3.001
276 3HB ALA 40 3HB ALA 40 -8.887 3.941 4.208
277 H LYS 41 H LYS 41 -9.508 5.430 6.637
278 HA LYS 41 HA LYS 41 -8.133 4.622 8.950
279 1HB LYS 41 2HB LYS 41 -10.753 5.402 8.267
280 2HB LYS 41 1HB LYS 41 -10.895 3.832 9.046
281 1HG LYS 41 2HG LYS 41 -11.106 5.548 10.702
282 2HG LYS 41 1HG LYS 41 -9.576 4.704 10.950
283 1HD LYS 41 2HD LYS 41 -8.997 6.802 9.189
284 2HD LYS 41 1HD LYS 41 -10.066 7.495 10.410
285 1HE LYS 41 2HE LYS 41 -7.805 7.753 11.154
286 2HE LYS 41 1HE LYS 41 -8.585 6.537 12.162
287 1HZ LYS 41 1HZ LYS 41 -6.813 5.945 9.854
288 2HZ LYS 41 2HZ LYS 41 -7.506 4.810 10.900
289 3HZ LYS 41 3HZ LYS 41 -6.340 5.891 11.478
290 H ARG 42 H ARG 42 -9.740 2.781 6.434
291 HA ARG 42 HA ARG 42 -9.558 0.315 7.908
292 1HB ARG 42 2HB ARG 42 -10.724 1.157 5.307
293 2HB ARG 42 1HB ARG 42 -10.279 -0.537 5.484
294 1HG ARG 42 2HG ARG 42 -12.044 0.929 7.428
295 2HG ARG 42 1HG ARG 42 -12.651 0.011 6.048
296 1HD ARG 42 2HD ARG 42 -12.447 -1.905 7.155
297 2HD ARG 42 1HD ARG 42 -10.765 -1.559 7.557
298 HE ARG 42 HE ARG 42 -12.025 -0.053 9.346
299 1HH1 ARG 42 1HH1 ARG 42 -12.610 -3.361 8.383
300 2HH1 ARG 42 2HH1 ARG 42 -13.236 -3.828 9.927
301 1HH2 ARG 42 1HH2 ARG 42 -12.850 -0.673 11.375
302 2HH2 ARG 42 2HH2 ARG 42 -13.373 -2.305 11.624
303 H ASN 43 H ASN 43 -8.603 0.686 4.513
304 HA ASN 43 HA ASN 43 -6.366 -1.073 4.978
305 1HB ASN 43 2HB ASN 43 -7.065 -1.734 2.964
306 2HB ASN 43 1HB ASN 43 -8.048 -0.296 2.759
307 1HD2 ASN 43 1HD2 ASN 43 -7.226 1.458 1.716
308 2HD2 ASN 43 2HD2 ASN 43 -5.828 1.366 0.697
309 H ASN 44 H ASN 44 -4.656 -0.170 5.904
310 HA ASN 44 HA ASN 44 -3.165 1.823 4.465
311 1HB ASN 44 2HB ASN 44 -3.033 3.437 6.311
312 2HB ASN 44 1HB ASN 44 -4.696 3.243 5.761
313 1HD2 ASN 44 1HD2 ASN 44 -3.835 4.248 8.285
314 2HD2 ASN 44 2HD2 ASN 44 -4.454 3.186 9.499
315 H PHE 45 H PHE 45 -1.265 0.702 4.411
316 HA PHE 45 HA PHE 45 -0.341 -0.550 6.902
317 1HB PHE 45 2HB PHE 45 0.437 -1.018 4.016
318 2HB PHE 45 1HB PHE 45 1.256 -1.763 5.388
319 HD1 PHE 45 1HD PHE 45 -1.916 -1.575 3.536
320 HD2 PHE 45 2HD PHE 45 0.297 -3.596 6.558
321 HE1 PHE 45 1HE PHE 45 -3.602 -3.365 3.568
322 HE2 PHE 45 2HE PHE 45 -1.384 -5.394 6.592
323 HZ PHE 45 HZ PHE 45 -3.337 -5.281 5.095
324 H LYS 46 H LYS 46 1.525 0.053 7.861
325 HA LYS 46 HA LYS 46 2.584 2.603 7.356
326 1HB LYS 46 2HB LYS 46 4.415 1.842 8.955
327 2HB LYS 46 1HB LYS 46 2.766 1.806 9.563
328 1HG LYS 46 2HG LYS 46 2.677 -0.487 9.589
329 2HG LYS 46 1HG LYS 46 3.910 -0.656 8.338
330 1HD LYS 46 2HD LYS 46 5.185 0.636 10.465
331 2HD LYS 46 1HD LYS 46 4.196 -0.620 11.211
332 1HE LYS 46 2HE LYS 46 5.288 -1.953 9.099
333 2HE LYS 46 1HE LYS 46 6.590 -0.845 9.532
334 1HZ LYS 46 1HZ LYS 46 6.115 -1.684 11.912
335 2HZ LYS 46 2HZ LYS 46 7.010 -2.660 10.860
336 3HZ LYS 46 3HZ LYS 46 5.375 -2.993 11.137
337 H SER 47 H SER 47 3.232 -0.371 5.822
338 HA SER 47 HA SER 47 5.357 0.876 4.301
339 1HB SER 47 2HB SER 47 6.438 -1.648 4.711
340 2HB SER 47 1HB SER 47 7.008 -0.139 5.426
341 HG SER 47 HG SER 47 5.733 -0.558 7.232
342 H ALA 48 H ALA 48 5.658 -0.005 2.268
343 HA ALA 48 HA ALA 48 3.424 -1.233 1.096
344 1HB ALA 48 1HB ALA 48 4.556 -0.251 -0.592
345 2HB ALA 48 2HB ALA 48 5.413 -1.789 -0.688
346 3HB ALA 48 3HB ALA 48 6.115 -0.443 0.210
347 H GLU 49 H GLU 49 6.458 -2.549 2.315
348 HA GLU 49 HA GLU 49 6.118 -5.185 1.401
349 1HB GLU 49 2HB GLU 49 7.692 -3.866 3.562
350 2HB GLU 49 1HB GLU 49 7.452 -5.603 3.693
351 1HG GLU 49 2HG GLU 49 9.562 -4.967 2.577
352 2HG GLU 49 1HG GLU 49 8.513 -5.979 1.586
353 H ASP 50 H ASP 50 4.975 -3.420 4.204
354 HA ASP 50 HA ASP 50 3.783 -5.609 5.545
355 1HB ASP 50 2HB ASP 50 4.203 -2.941 6.125
356 2HB ASP 50 1HB ASP 50 2.454 -3.033 5.944
357 H CYS 51 H CYS 51 2.538 -3.207 3.205
358 HA CYS 51 HA CYS 51 -0.140 -4.084 3.251
359 1HB CYS 51 2HB CYS 51 0.129 -2.022 2.220
360 2HB CYS 51 1HB CYS 51 1.569 -2.531 1.340
361 H LEU 52 H LEU 52 2.466 -4.832 0.923
362 HA LEU 52 HA LEU 52 1.103 -6.703 -0.606
363 1HB LEU 52 2HB LEU 52 4.025 -6.436 0.067
364 2HB LEU 52 1HB LEU 52 3.430 -7.655 -1.043
365 HG LEU 52 HG LEU 52 3.129 -4.674 -1.400
366 1HD1 LEU 52 1HD1 LEU 52 4.826 -6.576 -2.994
367 2HD1 LEU 52 2HD1 LEU 52 5.446 -5.636 -1.637
368 3HD1 LEU 52 3HD1 LEU 52 4.808 -4.814 -3.060
369 1HD2 LEU 52 1HD2 LEU 52 2.731 -6.296 -3.751
370 2HD2 LEU 52 2HD2 LEU 52 1.675 -5.081 -3.035
371 3HD2 LEU 52 3HD2 LEU 52 1.600 -6.750 -2.477
372 H ARG 53 H ARG 53 2.943 -7.173 2.386
373 HA ARG 53 HA ARG 53 2.898 -9.962 2.438
374 1HB ARG 53 2HB ARG 53 4.225 -8.434 3.937
375 2HB ARG 53 1HB ARG 53 2.747 -8.153 4.849
376 1HG ARG 53 2HG ARG 53 2.614 -10.567 5.318
377 2HG ARG 53 1HG ARG 53 4.149 -10.787 4.475
378 1HD ARG 53 2HD ARG 53 3.608 -9.335 7.045
379 2HD ARG 53 1HD ARG 53 4.717 -10.673 6.750
380 HE ARG 53 HE ARG 53 5.717 -8.719 5.187
381 1HH1 ARG 53 1HH1 ARG 53 4.793 -8.812 8.551
382 2HH1 ARG 53 2HH1 ARG 53 5.951 -7.618 9.030
383 1HH2 ARG 53 1HH2 ARG 53 7.238 -7.147 5.814
384 2HH2 ARG 53 2HH2 ARG 53 7.340 -6.671 7.477
385 H THR 54 H THR 54 0.653 -7.647 3.942
386 HA THR 54 HA THR 54 -1.148 -9.735 4.769
387 HB THR 54 HB THR 54 -1.706 -6.772 4.716
388 HG1 THR 54 1HG THR 54 -0.498 -8.209 6.836
389 1HG2 THR 54 1HG2 THR 54 -3.662 -7.593 5.474
390 2HG2 THR 54 2HG2 THR 54 -2.776 -7.640 6.997
391 3HG2 THR 54 3HG2 THR 54 -2.943 -9.105 6.030
392 H CYS 55 H CYS 55 -1.516 -6.946 2.580
393 HA CYS 55 HA CYS 55 -3.947 -7.923 1.484
394 1HB CYS 55 2HB CYS 55 -2.129 -5.620 0.870
395 2HB CYS 55 1HB CYS 55 -3.414 -6.045 -0.254
396 H GLY 56 H GLY 56 -0.607 -7.805 0.262
397 1HA GLY 56 2HA GLY 56 -1.198 -8.791 -2.314
398 2HA GLY 56 1HA GLY 56 0.375 -8.855 -1.533
399 H GLY 57 H GLY 57 -0.784 -10.852 -3.236
400 1HA GLY 57 2HA GLY 57 -0.260 -13.153 -1.640
401 2HA GLY 57 1HA GLY 57 -1.979 -12.999 -1.971
402 H ALA 58 H ALA 58 -2.481 -12.573 -4.366
403 HA ALA 58 HA ALA 58 -2.617 -13.588 -6.411
404 1HB ALA 58 1HB ALA 58 -0.131 -13.583 -7.459
405 2HB ALA 58 2HB ALA 58 0.077 -12.442 -6.130
406 3HB ALA 58 3HB ALA 58 -1.161 -12.156 -7.354
Start of MODEL 5
1 1H ARG 1 1HT ARG 1 -6.487 -13.426 -0.622
2 2H ARG 1 2HT ARG 1 -8.148 -13.032 -0.804
3 3H ARG 1 3HT ARG 1 -7.518 -13.403 0.748
4 HA ARG 1 HA ARG 1 -6.017 -11.469 0.464
5 1HB ARG 1 2HB ARG 1 -6.689 -9.823 -1.195
6 2HB ARG 1 1HB ARG 1 -6.318 -11.350 -1.983
7 1HG ARG 1 2HG ARG 1 -8.571 -11.810 -2.411
8 2HG ARG 1 1HG ARG 1 -9.126 -10.599 -1.254
9 1HD ARG 1 2HD ARG 1 -9.465 -9.704 -3.431
10 2HD ARG 1 1HD ARG 1 -8.094 -8.855 -2.721
11 HE ARG 1 HE ARG 1 -6.726 -9.768 -4.322
12 1HH1 ARG 1 1HH1 ARG 1 -9.814 -11.397 -4.381
13 2HH1 ARG 1 2HH1 ARG 1 -9.474 -12.250 -5.849
14 1HH2 ARG 1 1HH2 ARG 1 -6.282 -10.882 -6.253
15 2HH2 ARG 1 2HH2 ARG 1 -7.468 -11.957 -6.913
16 HA PRO 2 HA PRO 2 -8.998 -9.989 3.391
17 1HB PRO 2 2HB PRO 2 -7.547 -7.447 3.484
18 2HB PRO 2 1HB PRO 2 -7.738 -8.677 4.740
19 1HG PRO 2 2HG PRO 2 -5.382 -8.237 3.489
20 2HG PRO 2 1HG PRO 2 -5.872 -9.836 4.077
21 1HD PRO 2 2HD PRO 2 -5.927 -8.742 1.294
22 2HD PRO 2 1HD PRO 2 -5.480 -10.365 1.862
23 H ASP 3 H ASP 3 -10.921 -9.085 3.174
24 HA ASP 3 HA ASP 3 -11.925 -7.983 0.890
25 1HB ASP 3 2HB ASP 3 -12.801 -8.236 3.649
26 2HB ASP 3 1HB ASP 3 -13.464 -6.797 2.882
27 H PHE 4 H PHE 4 -11.097 -6.047 3.779
28 HA PHE 4 HA PHE 4 -11.654 -3.568 2.753
29 1HB PHE 4 2HB PHE 4 -9.840 -2.740 4.334
30 2HB PHE 4 1HB PHE 4 -11.159 -3.673 5.043
31 HD1 PHE 4 1HD PHE 4 -10.723 -5.645 6.228
32 HD2 PHE 4 2HD PHE 4 -7.656 -3.860 3.883
33 HE1 PHE 4 1HE PHE 4 -9.075 -7.180 7.222
34 HE2 PHE 4 2HE PHE 4 -6.004 -5.393 4.870
35 HZ PHE 4 HZ PHE 4 -6.713 -7.053 6.540
36 H CYS 5 H CYS 5 -8.906 -5.570 1.985
37 HA CYS 5 HA CYS 5 -7.151 -3.601 1.038
38 1HB CYS 5 2HB CYS 5 -7.478 -6.453 0.110
39 2HB CYS 5 1HB CYS 5 -6.148 -5.390 -0.333
40 H LEU 6 H LEU 6 -10.102 -4.769 -0.182
41 HA LEU 6 HA LEU 6 -9.647 -3.998 -2.930
42 1HB LEU 6 2HB LEU 6 -12.313 -4.562 -1.648
43 2HB LEU 6 1HB LEU 6 -11.874 -4.707 -3.338
44 HG LEU 6 HG LEU 6 -10.784 -6.480 -1.149
45 1HD1 LEU 6 1HD1 LEU 6 -12.686 -7.487 -3.185
46 2HD1 LEU 6 2HD1 LEU 6 -13.342 -6.524 -1.861
47 3HD1 LEU 6 3HD1 LEU 6 -12.432 -7.993 -1.515
48 1HD2 LEU 6 1HD2 LEU 6 -10.758 -7.445 -3.895
49 2HD2 LEU 6 2HD2 LEU 6 -9.467 -7.412 -2.694
50 3HD2 LEU 6 3HD2 LEU 6 -9.793 -5.984 -3.675
51 H GLU 7 H GLU 7 -10.271 -2.332 -0.112
52 HA GLU 7 HA GLU 7 -12.107 -0.373 -1.041
53 1HB GLU 7 2HB GLU 7 -10.112 -0.193 1.219
54 2HB GLU 7 1HB GLU 7 -11.456 0.905 0.947
55 1HG GLU 7 2HG GLU 7 -11.932 -2.021 1.312
56 2HG GLU 7 1HG GLU 7 -11.701 -0.958 2.699
57 HA PRO 8 HA PRO 8 -9.116 1.808 -3.561
58 1HB PRO 8 2HB PRO 8 -11.263 3.723 -4.059
59 2HB PRO 8 1HB PRO 8 -10.456 2.638 -5.193
60 1HG PRO 8 2HG PRO 8 -13.026 2.293 -4.420
61 2HG PRO 8 1HG PRO 8 -11.961 0.942 -4.847
62 1HD PRO 8 2HD PRO 8 -12.759 1.945 -2.140
63 2HD PRO 8 1HD PRO 8 -12.582 0.274 -2.720
64 HA PRO 9 HA PRO 9 -8.026 5.121 -0.813
65 1HB PRO 9 2HB PRO 9 -6.219 6.259 -2.725
66 2HB PRO 9 1HB PRO 9 -5.838 5.209 -1.360
67 1HG PRO 9 2HG PRO 9 -5.573 4.504 -4.019
68 2HG PRO 9 1HG PRO 9 -5.713 3.358 -2.675
69 1HD PRO 9 2HD PRO 9 -7.787 4.277 -4.616
70 2HD PRO 9 1HD PRO 9 -7.533 2.669 -3.899
71 H TYR 10 H TYR 10 -7.470 7.620 -1.090
72 HA TYR 10 HA TYR 10 -9.076 8.940 -3.101
73 1HB TYR 10 2HB TYR 10 -10.598 10.008 -1.598
74 2HB TYR 10 1HB TYR 10 -10.658 8.281 -1.270
75 HD1 TYR 10 1HD TYR 10 -8.655 7.634 0.551
76 HD2 TYR 10 2HD TYR 10 -10.810 11.293 0.297
77 HE1 TYR 10 1HE TYR 10 -8.200 8.060 2.927
78 HE2 TYR 10 2HE TYR 10 -10.359 11.730 2.674
79 HH TYR 10 HH TYR 10 -9.760 9.903 4.799
80 H ALA 11 H ALA 11 -8.897 11.306 -2.985
81 HA ALA 11 HA ALA 11 -6.563 12.244 -1.471
82 1HB ALA 11 1HB ALA 11 -5.558 13.256 -3.342
83 2HB ALA 11 2HB ALA 11 -6.988 13.010 -4.345
84 3HB ALA 11 3HB ALA 11 -5.996 11.631 -3.869
85 H GLY 12 H GLY 12 -7.395 13.728 -0.147
86 1HA GLY 12 2HA GLY 12 -8.302 16.205 -0.997
87 2HA GLY 12 1HA GLY 12 -9.739 15.232 -0.710
88 H ALA 13 H ALA 13 -8.576 17.635 0.666
89 HA ALA 13 HA ALA 13 -8.609 18.457 2.786
90 1HB ALA 13 1HB ALA 13 -10.363 16.409 2.936
91 2HB ALA 13 2HB ALA 13 -9.971 17.474 4.287
92 3HB ALA 13 3HB ALA 13 -9.175 15.907 4.138
93 H CYS 14 H CYS 14 -6.234 17.432 1.600
94 HA CYS 14 HA CYS 14 -4.554 17.375 3.914
95 1HB CYS 14 2HB CYS 14 -3.639 15.112 2.404
96 2HB CYS 14 1HB CYS 14 -4.070 15.198 4.105
97 H ARG 15 H ARG 15 -2.196 17.291 3.246
98 HA ARG 15 HA ARG 15 -1.625 17.813 0.476
99 1HB ARG 15 2HB ARG 15 -2.559 19.974 1.369
100 2HB ARG 15 1HB ARG 15 -1.145 20.067 2.410
101 1HG ARG 15 2HG ARG 15 -0.660 19.643 -0.475
102 2HG ARG 15 1HG ARG 15 -1.265 21.227 0.017
103 1HD ARG 15 2HD ARG 15 0.630 20.996 1.838
104 2HD ARG 15 1HD ARG 15 1.315 19.891 0.649
105 HE ARG 15 HE ARG 15 0.535 22.577 -0.211
106 1HH1 ARG 15 1HH1 ARG 15 3.075 20.280 0.492
107 2HH1 ARG 15 2HH1 ARG 15 4.291 21.191 -0.336
108 1HH2 ARG 15 1HH2 ARG 15 2.138 23.767 -1.294
109 2HH2 ARG 15 2HH2 ARG 15 3.762 23.168 -1.346
110 H ALA 16 H ALA 16 0.073 16.499 0.319
111 HA ALA 16 HA ALA 16 2.227 15.788 0.483
112 1HB ALA 16 1HB ALA 16 2.842 17.881 2.525
113 2HB ALA 16 2HB ALA 16 2.585 18.319 0.836
114 3HB ALA 16 3HB ALA 16 3.879 17.203 1.270
115 H ALA 17 H ALA 17 2.032 13.834 1.406
116 HA ALA 17 HA ALA 17 2.868 13.513 4.064
117 1HB ALA 17 1HB ALA 17 0.221 12.237 3.672
118 2HB ALA 17 2HB ALA 17 0.266 13.953 4.073
119 3HB ALA 17 3HB ALA 17 1.000 12.775 5.159
120 H ALA 18 H ALA 18 3.982 12.748 1.753
121 HA ALA 18 HA ALA 18 3.317 10.101 0.951
122 1HB ALA 18 1HB ALA 18 5.785 10.309 0.014
123 2HB ALA 18 2HB ALA 18 5.505 12.014 0.369
124 3HB ALA 18 3HB ALA 18 4.427 11.154 -0.730
125 H ALA 19 H ALA 19 3.261 8.830 2.814
126 HA ALA 19 HA ALA 19 5.775 7.654 3.526
127 1HB ALA 19 1HB ALA 19 5.781 8.124 5.870
128 2HB ALA 19 2HB ALA 19 4.249 8.991 5.751
129 3HB ALA 19 3HB ALA 19 5.700 9.659 5.004
130 H ARG 20 H ARG 20 2.974 7.062 2.522
131 HA ARG 20 HA ARG 20 2.609 4.651 4.108
132 1HB ARG 20 2HB ARG 20 0.365 6.611 3.570
133 2HB ARG 20 1HB ARG 20 0.163 5.005 4.274
134 1HG ARG 20 2HG ARG 20 1.498 5.659 6.190
135 2HG ARG 20 1HG ARG 20 1.741 7.260 5.490
136 1HD ARG 20 2HD ARG 20 -0.214 7.968 6.269
137 2HD ARG 20 1HD ARG 20 -1.057 6.592 5.558
138 HE ARG 20 HE ARG 20 -0.016 5.450 7.689
139 1HH1 ARG 20 1HH1 ARG 20 -1.625 8.537 7.392
140 2HH1 ARG 20 2HH1 ARG 20 -2.209 8.532 9.021
141 1HH2 ARG 20 1HH2 ARG 20 -0.780 5.451 9.842
142 2HH2 ARG 20 2HH2 ARG 20 -1.732 6.782 10.410
143 H TYR 21 H TYR 21 0.964 3.174 3.018
144 HA TYR 21 HA TYR 21 0.865 3.610 0.118
145 1HB TYR 21 2HB TYR 21 1.827 1.060 1.428
146 2HB TYR 21 1HB TYR 21 1.589 1.302 -0.300
147 HD1 TYR 21 1HD TYR 21 3.580 2.499 2.606
148 HD2 TYR 21 2HD TYR 21 3.312 2.187 -1.629
149 HE1 TYR 21 1HE TYR 21 5.900 3.287 2.403
150 HE2 TYR 21 2HE TYR 21 5.631 2.973 -1.839
151 HH TYR 21 HH TYR 21 7.255 4.270 -0.553
152 H PHE 22 H PHE 22 -0.483 1.780 -0.925
153 HA PHE 22 HA PHE 22 -2.621 0.774 0.790
154 1HB PHE 22 2HB PHE 22 -4.341 1.662 -0.818
155 2HB PHE 22 1HB PHE 22 -3.583 2.866 0.204
156 HD1 PHE 22 1HD PHE 22 -3.706 1.465 -3.193
157 HD2 PHE 22 2HD PHE 22 -2.311 4.644 -0.737
158 HE1 PHE 22 1HE PHE 22 -3.099 2.744 -5.202
159 HE2 PHE 22 2HE PHE 22 -1.705 5.926 -2.744
160 HZ PHE 22 HZ PHE 22 -2.095 4.979 -4.978
161 H TYR 23 H TYR 23 -3.918 -0.856 -0.246
162 HA TYR 23 HA TYR 23 -2.368 -2.317 -2.244
163 1HB TYR 23 2HB TYR 23 -3.268 -3.565 -0.341
164 2HB TYR 23 1HB TYR 23 -4.915 -3.119 -0.807
165 HD1 TYR 23 1HD TYR 23 -6.103 -4.461 -2.327
166 HD2 TYR 23 2HD TYR 23 -1.890 -4.923 -2.004
167 HE1 TYR 23 1HE TYR 23 -6.218 -6.433 -3.787
168 HE2 TYR 23 2HE TYR 23 -1.989 -6.899 -3.462
169 HH TYR 23 HH TYR 23 -3.409 -8.456 -4.371
170 H ASN 24 H ASN 24 -2.992 -2.757 -4.296
171 HA ASN 24 HA ASN 24 -5.408 -1.374 -5.276
172 1HB ASN 24 2HB ASN 24 -3.317 -0.370 -6.102
173 2HB ASN 24 1HB ASN 24 -2.818 -1.935 -6.748
174 1HD2 ASN 24 1HD2 ASN 24 -3.309 0.649 -8.046
175 2HD2 ASN 24 2HD2 ASN 24 -4.461 0.311 -9.297
176 H ALA 25 H ALA 25 -6.781 -3.159 -5.044
177 HA ALA 25 HA ALA 25 -6.282 -5.784 -5.767
178 1HB ALA 25 1HB ALA 25 -8.491 -6.150 -5.408
179 2HB ALA 25 2HB ALA 25 -8.993 -4.750 -6.354
180 3HB ALA 25 3HB ALA 25 -8.395 -4.533 -4.709
181 H LYS 26 H LYS 26 -7.004 -3.029 -7.777
182 HA LYS 26 HA LYS 26 -7.564 -4.567 -10.143
183 1HB LYS 26 2HB LYS 26 -8.399 -2.200 -9.564
184 2HB LYS 26 1HB LYS 26 -6.815 -1.655 -10.095
185 1HG LYS 26 2HG LYS 26 -7.231 -2.116 -12.286
186 2HG LYS 26 1HG LYS 26 -8.353 -3.427 -11.911
187 1HD LYS 26 2HD LYS 26 -9.839 -1.509 -10.956
188 2HD LYS 26 1HD LYS 26 -8.834 -0.475 -11.974
189 1HE LYS 26 2HE LYS 26 -9.761 -1.236 -13.880
190 2HE LYS 26 1HE LYS 26 -9.857 -2.895 -13.288
191 1HZ LYS 26 1HZ LYS 26 -12.049 -1.924 -13.649
192 2HZ LYS 26 2HZ LYS 26 -11.711 -0.700 -12.533
193 3HZ LYS 26 3HZ LYS 26 -11.813 -2.307 -12.018
194 H ALA 27 H ALA 27 -4.739 -4.038 -8.500
195 HA ALA 27 HA ALA 27 -3.170 -4.448 -10.949
196 1HB ALA 27 1HB ALA 27 -3.176 -2.034 -9.788
197 2HB ALA 27 2HB ALA 27 -1.780 -2.702 -10.634
198 3HB ALA 27 3HB ALA 27 -1.875 -2.801 -8.876
199 H GLY 28 H GLY 28 -3.963 -5.637 -7.968
200 1HA GLY 28 2HA GLY 28 -3.149 -7.377 -6.753
201 2HA GLY 28 1HA GLY 28 -2.008 -7.623 -8.049
202 H LEU 29 H LEU 29 -1.318 -4.588 -7.281
203 HA LEU 29 HA LEU 29 0.462 -5.326 -5.060
204 1HB LEU 29 2HB LEU 29 1.095 -4.251 -7.706
205 2HB LEU 29 1HB LEU 29 1.814 -3.334 -6.396
206 HG LEU 29 HG LEU 29 2.245 -6.118 -5.897
207 1HD1 LEU 29 1HD1 LEU 29 3.878 -6.202 -8.003
208 2HD1 LEU 29 2HD1 LEU 29 2.565 -5.261 -8.711
209 3HD1 LEU 29 3HD1 LEU 29 2.242 -6.859 -8.037
210 1HD2 LEU 29 1HD2 LEU 29 3.567 -4.149 -5.105
211 2HD2 LEU 29 2HD2 LEU 29 4.224 -4.006 -6.736
212 3HD2 LEU 29 3HD2 LEU 29 4.534 -5.459 -5.784
213 H CYS 30 H CYS 30 1.514 -3.178 -4.160
214 HA CYS 30 HA CYS 30 -0.749 -1.456 -3.491
215 1HB CYS 30 2HB CYS 30 1.913 -1.265 -2.136
216 2HB CYS 30 1HB CYS 30 0.315 -0.907 -1.502
217 H GLN 31 H GLN 31 -0.103 0.852 -2.971
218 HA GLN 31 HA GLN 31 1.888 1.957 -4.779
219 1HB GLN 31 2HB GLN 31 -1.001 2.078 -5.243
220 2HB GLN 31 1HB GLN 31 -0.232 3.658 -5.247
221 1HG GLN 31 2HG GLN 31 0.318 3.292 -7.353
222 2HG GLN 31 1HG GLN 31 1.436 2.052 -6.787
223 1HE2 GLN 31 1HE2 GLN 31 -1.070 2.653 -8.827
224 2HE2 GLN 31 2HE2 GLN 31 -1.647 1.042 -9.061
225 H THR 32 H THR 32 2.698 3.934 -4.114
226 HA THR 32 HA THR 32 2.171 4.650 -1.390
227 HB THR 32 HB THR 32 4.421 4.767 -2.711
228 HG1 THR 32 1HG THR 32 4.164 5.445 -0.552
229 1HG2 THR 32 1HG2 THR 32 4.994 6.987 -3.515
230 2HG2 THR 32 2HG2 THR 32 3.325 7.510 -3.294
231 3HG2 THR 32 3HG2 THR 32 3.710 6.270 -4.487
232 H PHE 33 H PHE 33 1.085 6.352 -0.575
233 HA PHE 33 HA PHE 33 -1.064 7.423 -1.949
234 1HB PHE 33 2HB PHE 33 0.373 8.256 0.553
235 2HB PHE 33 1HB PHE 33 -0.962 9.219 -0.071
236 HD1 PHE 33 1HD PHE 33 0.004 6.167 1.598
237 HD2 PHE 33 2HD PHE 33 -3.229 8.235 -0.236
238 HE1 PHE 33 1HE PHE 33 -1.579 4.606 2.650
239 HE2 PHE 33 2HE PHE 33 -4.822 6.680 0.821
240 HZ PHE 33 HZ PHE 33 -3.994 4.864 2.265
241 H ALA 34 H ALA 34 -1.270 8.925 -3.456
242 HA ALA 34 HA ALA 34 0.981 10.406 -4.404
243 1HB ALA 34 1HB ALA 34 -0.257 10.815 -6.257
244 2HB ALA 34 2HB ALA 34 -1.736 11.110 -5.342
245 3HB ALA 34 3HB ALA 34 -1.188 9.457 -5.625
246 H TYR 35 H TYR 35 0.109 12.817 -5.172
247 HA TYR 35 HA TYR 35 0.582 14.480 -3.030
248 1HB TYR 35 2HB TYR 35 0.500 14.959 -5.599
249 2HB TYR 35 1HB TYR 35 -1.172 15.417 -5.281
250 HD1 TYR 35 1HD TYR 35 2.329 16.330 -4.858
251 HD2 TYR 35 2HD TYR 35 -1.675 17.347 -3.840
252 HE1 TYR 35 1HE TYR 35 3.088 18.548 -4.114
253 HE2 TYR 35 2HE TYR 35 -0.927 19.569 -3.095
254 HH TYR 35 HH TYR 35 1.117 20.659 -2.313
255 H GLY 36 H GLY 36 -0.638 15.658 -1.621
256 1HA GLY 36 2HA GLY 36 -2.288 15.964 -0.105
257 2HA GLY 36 1HA GLY 36 -3.222 16.260 -1.543
258 H ALA 37 H ALA 37 -2.047 13.030 -1.211
259 HA ALA 37 HA ALA 37 -4.699 12.005 -1.035
260 1HB ALA 37 1HB ALA 37 -2.469 10.200 -0.365
261 2HB ALA 37 2HB ALA 37 -2.392 10.970 -1.949
262 3HB ALA 37 3HB ALA 37 -3.792 9.993 -1.511
263 H CYS 38 H CYS 38 -4.915 10.060 0.714
264 HA CYS 38 HA CYS 38 -3.928 10.832 3.318
265 1HB CYS 38 2HB CYS 38 -6.620 11.553 2.412
266 2HB CYS 38 1HB CYS 38 -6.600 10.660 3.930
267 H ALA 39 H ALA 39 -4.293 9.284 4.934
268 HA ALA 39 HA ALA 39 -4.383 6.593 3.994
269 1HB ALA 39 1HB ALA 39 -4.461 7.569 6.846
270 2HB ALA 39 2HB ALA 39 -2.989 7.356 5.900
271 3HB ALA 39 3HB ALA 39 -3.999 5.962 6.283
272 H ALA 40 H ALA 40 -5.968 5.065 4.169
273 HA ALA 40 HA ALA 40 -8.649 6.063 4.736
274 1HB ALA 40 1HB ALA 40 -8.944 4.916 2.825
275 2HB ALA 40 2HB ALA 40 -9.035 3.515 3.893
276 3HB ALA 40 3HB ALA 40 -7.518 3.911 3.087
277 H LYS 41 H LYS 41 -10.057 3.951 5.542
278 HA LYS 41 HA LYS 41 -9.523 3.773 8.283
279 1HB LYS 41 2HB LYS 41 -11.557 2.874 6.480
280 2HB LYS 41 1HB LYS 41 -11.112 1.536 7.530
281 1HG LYS 41 2HG LYS 41 -11.358 3.882 9.120
282 2HG LYS 41 1HG LYS 41 -12.788 3.737 8.097
283 1HD LYS 41 2HD LYS 41 -11.919 1.224 9.338
284 2HD LYS 41 1HD LYS 41 -12.441 2.462 10.481
285 1HE LYS 41 2HE LYS 41 -14.562 2.001 10.015
286 2HE LYS 41 1HE LYS 41 -14.288 2.428 8.326
287 1HZ LYS 41 1HZ LYS 41 -13.320 0.042 8.206
288 2HZ LYS 41 2HZ LYS 41 -14.997 0.264 8.171
289 3HZ LYS 41 3HZ LYS 41 -14.239 -0.221 9.601
290 H ARG 42 H ARG 42 -9.760 0.831 6.305
291 HA ARG 42 HA ARG 42 -7.689 -0.373 7.927
292 1HB ARG 42 2HB ARG 42 -9.079 -1.738 5.647
293 2HB ARG 42 1HB ARG 42 -8.352 -2.456 7.073
294 1HG ARG 42 2HG ARG 42 -10.639 -0.624 7.503
295 2HG ARG 42 1HG ARG 42 -10.975 -2.200 6.779
296 1HD ARG 42 2HD ARG 42 -9.422 -3.033 8.745
297 2HD ARG 42 1HD ARG 42 -9.952 -1.530 9.493
298 HE ARG 42 HE ARG 42 -11.624 -3.832 8.815
299 1HH1 ARG 42 1HH1 ARG 42 -11.384 -0.613 10.158
300 2HH1 ARG 42 2HH1 ARG 42 -12.908 -0.709 10.972
301 1HH2 ARG 42 1HH2 ARG 42 -13.631 -3.945 9.879
302 2HH2 ARG 42 2HH2 ARG 42 -14.184 -2.594 10.811
303 H ASN 43 H ASN 43 -8.176 0.709 4.618
304 HA ASN 43 HA ASN 43 -5.814 -0.480 3.579
305 1HB ASN 43 2HB ASN 43 -8.086 0.771 2.568
306 2HB ASN 43 1HB ASN 43 -6.781 1.884 2.165
307 1HD2 ASN 43 1HD2 ASN 43 -7.893 -1.367 1.978
308 2HD2 ASN 43 2HD2 ASN 43 -7.043 -1.810 0.525
309 H ASN 44 H ASN 44 -4.455 0.337 5.432
310 HA ASN 44 HA ASN 44 -3.015 2.683 4.548
311 1HB ASN 44 2HB ASN 44 -3.158 3.836 6.728
312 2HB ASN 44 1HB ASN 44 -4.731 3.704 5.947
313 1HD2 ASN 44 1HD2 ASN 44 -4.532 4.215 8.623
314 2HD2 ASN 44 2HD2 ASN 44 -5.085 2.848 9.523
315 H PHE 45 H PHE 45 -1.215 1.340 4.290
316 HA PHE 45 HA PHE 45 -0.182 0.081 6.735
317 1HB PHE 45 2HB PHE 45 0.507 -0.415 3.825
318 2HB PHE 45 1HB PHE 45 1.243 -1.239 5.199
319 HD1 PHE 45 1HD PHE 45 -0.095 -2.784 6.581
320 HD2 PHE 45 2HD PHE 45 -1.658 -1.012 3.042
321 HE1 PHE 45 1HE PHE 45 -1.909 -4.443 6.556
322 HE2 PHE 45 2HE PHE 45 -3.475 -2.668 3.009
323 HZ PHE 45 HZ PHE 45 -3.604 -4.388 4.768
324 H LYS 46 H LYS 46 1.632 0.858 7.650
325 HA LYS 46 HA LYS 46 2.672 3.354 6.906
326 1HB LYS 46 2HB LYS 46 4.493 2.804 8.576
327 2HB LYS 46 1HB LYS 46 2.843 2.734 9.181
328 1HG LYS 46 2HG LYS 46 3.815 0.183 8.150
329 2HG LYS 46 1HG LYS 46 4.749 0.805 9.512
330 1HD LYS 46 2HD LYS 46 1.810 0.958 9.767
331 2HD LYS 46 1HD LYS 46 2.508 -0.661 9.787
332 1HE LYS 46 2HE LYS 46 3.118 1.639 11.632
333 2HE LYS 46 1HE LYS 46 2.386 0.089 12.043
334 1HZ LYS 46 1HZ LYS 46 5.169 0.784 11.711
335 2HZ LYS 46 2HZ LYS 46 4.727 -0.663 10.959
336 3HZ LYS 46 3HZ LYS 46 4.464 -0.458 12.618
337 H SER 47 H SER 47 3.303 0.316 5.565
338 HA SER 47 HA SER 47 5.416 1.428 3.944
339 1HB SER 47 2HB SER 47 6.565 -1.009 4.610
340 2HB SER 47 1HB SER 47 7.095 0.579 5.167
341 HG SER 47 HG SER 47 5.796 -1.428 6.525
342 H ALA 48 H ALA 48 5.774 0.291 2.023
343 HA ALA 48 HA ALA 48 3.557 -1.086 0.981
344 1HB ALA 48 1HB ALA 48 5.803 -1.838 -0.550
345 2HB ALA 48 2HB ALA 48 6.113 -0.197 0.011
346 3HB ALA 48 3HB ALA 48 4.643 -0.556 -0.897
347 H GLU 49 H GLU 49 6.530 -2.169 2.493
348 HA GLU 49 HA GLU 49 6.289 -4.913 1.921
349 1HB GLU 49 2HB GLU 49 8.116 -3.357 3.269
350 2HB GLU 49 1HB GLU 49 7.367 -4.257 4.580
351 1HG GLU 49 2HG GLU 49 7.846 -6.182 2.664
352 2HG GLU 49 1HG GLU 49 9.256 -5.127 2.564
353 H ASP 50 H ASP 50 4.970 -2.806 4.397
354 HA ASP 50 HA ASP 50 3.736 -4.828 5.955
355 1HB ASP 50 2HB ASP 50 3.932 -1.969 5.996
356 2HB ASP 50 1HB ASP 50 2.239 -2.426 6.177
357 H CYS 51 H CYS 51 2.528 -2.711 3.321
358 HA CYS 51 HA CYS 51 -0.125 -3.651 3.347
359 1HB CYS 51 2HB CYS 51 0.257 -1.688 2.112
360 2HB CYS 51 1HB CYS 51 1.630 -2.385 1.250
361 H LEU 52 H LEU 52 2.585 -4.604 1.242
362 HA LEU 52 HA LEU 52 1.351 -6.646 -0.148
363 1HB LEU 52 2HB LEU 52 4.217 -6.302 0.714
364 2HB LEU 52 1HB LEU 52 3.695 -7.601 -0.340
365 HG LEU 52 HG LEU 52 3.526 -4.647 -0.924
366 1HD1 LEU 52 1HD1 LEU 52 4.991 -5.593 -2.896
367 2HD1 LEU 52 2HD1 LEU 52 5.371 -6.840 -1.710
368 3HD1 LEU 52 3HD1 LEU 52 5.712 -5.148 -1.350
369 1HD2 LEU 52 1HD2 LEU 52 1.601 -5.746 -1.872
370 2HD2 LEU 52 2HD2 LEU 52 2.616 -7.017 -2.552
371 3HD2 LEU 52 3HD2 LEU 52 2.745 -5.366 -3.156
372 H ARG 53 H ARG 53 3.001 -6.803 2.994
373 HA ARG 53 HA ARG 53 2.910 -9.583 3.315
374 1HB ARG 53 2HB ARG 53 3.595 -7.318 4.915
375 2HB ARG 53 1HB ARG 53 2.547 -8.361 5.864
376 1HG ARG 53 2HG ARG 53 4.033 -10.237 5.495
377 2HG ARG 53 1HG ARG 53 5.060 -9.242 4.461
378 1HD ARG 53 2HD ARG 53 5.962 -9.473 6.741
379 2HD ARG 53 1HD ARG 53 5.600 -7.799 6.319
380 HE ARG 53 HE ARG 53 3.531 -9.243 7.758
381 1HH1 ARG 53 1HH1 ARG 53 6.229 -7.028 7.935
382 2HH1 ARG 53 2HH1 ARG 53 5.745 -6.370 9.460
383 1HH2 ARG 53 1HH2 ARG 53 2.902 -8.379 9.765
384 2HH2 ARG 53 2HH2 ARG 53 3.859 -7.136 10.501
385 H THR 54 H THR 54 0.629 -7.109 4.485
386 HA THR 54 HA THR 54 -1.225 -9.083 5.438
387 HB THR 54 HB THR 54 -1.625 -6.108 5.069
388 HG1 THR 54 1HG THR 54 -1.100 -6.076 7.324
389 1HG2 THR 54 1HG2 THR 54 -3.030 -7.949 6.982
390 2HG2 THR 54 2HG2 THR 54 -3.701 -7.459 5.425
391 3HG2 THR 54 3HG2 THR 54 -3.369 -6.248 6.665
392 H CYS 55 H CYS 55 -1.490 -6.570 2.915
393 HA CYS 55 HA CYS 55 -3.865 -7.738 1.859
394 1HB CYS 55 2HB CYS 55 -2.122 -5.429 1.055
395 2HB CYS 55 1HB CYS 55 -3.383 -6.012 -0.026
396 H GLY 56 H GLY 56 -0.475 -7.670 0.815
397 1HA GLY 56 2HA GLY 56 -0.959 -8.943 -1.683
398 2HA GLY 56 1HA GLY 56 0.601 -8.810 -0.883
399 H GLY 57 H GLY 57 1.033 -10.379 0.876
400 1HA GLY 57 2HA GLY 57 0.797 -13.000 0.072
401 2HA GLY 57 1HA GLY 57 1.085 -12.512 1.734
402 H ALA 58 H ALA 58 -0.772 -14.454 0.009
403 HA ALA 58 HA ALA 58 -2.791 -14.633 2.029
404 1HB ALA 58 1HB ALA 58 -4.722 -14.151 0.699
405 2HB ALA 58 2HB ALA 58 -3.729 -13.888 -0.734
406 3HB ALA 58 3HB ALA 58 -3.637 -12.763 0.621
Start of MODEL 6
1 1H ARG 1 1HT ARG 1 -8.916 -11.551 -0.682
2 2H ARG 1 2HT ARG 1 -7.769 -12.516 0.154
3 3H ARG 1 3HT ARG 1 -7.397 -11.888 -1.399
4 HA ARG 1 HA ARG 1 -6.390 -10.757 0.568
5 1HB ARG 1 2HB ARG 1 -6.614 -8.602 -0.529
6 2HB ARG 1 1HB ARG 1 -6.496 -9.873 -1.738
7 1HG ARG 1 2HG ARG 1 -9.243 -9.260 -0.993
8 2HG ARG 1 1HG ARG 1 -8.377 -7.880 -1.670
9 1HD ARG 1 2HD ARG 1 -8.852 -8.725 -3.677
10 2HD ARG 1 1HD ARG 1 -7.667 -9.981 -3.323
11 HE ARG 1 HE ARG 1 -10.269 -10.578 -2.289
12 1HH1 ARG 1 1HH1 ARG 1 -8.249 -10.709 -5.132
13 2HH1 ARG 1 2HH1 ARG 1 -9.131 -12.015 -5.851
14 1HH2 ARG 1 1HH2 ARG 1 -11.430 -12.294 -3.234
15 2HH2 ARG 1 2HH2 ARG 1 -10.937 -12.914 -4.774
16 HA PRO 2 HA PRO 2 -9.027 -9.506 3.862
17 1HB PRO 2 2HB PRO 2 -7.454 -7.022 4.108
18 2HB PRO 2 1HB PRO 2 -7.694 -8.326 5.280
19 1HG PRO 2 2HG PRO 2 -5.351 -7.981 4.007
20 2HG PRO 2 1HG PRO 2 -5.966 -9.590 4.432
21 1HD PRO 2 2HD PRO 2 -5.949 -8.203 1.785
22 2HD PRO 2 1HD PRO 2 -5.688 -9.919 2.167
23 H ASP 3 H ASP 3 -10.883 -8.420 4.079
24 HA ASP 3 HA ASP 3 -12.153 -7.140 2.052
25 1HB ASP 3 2HB ASP 3 -12.728 -7.717 4.719
26 2HB ASP 3 1HB ASP 3 -12.973 -5.978 4.586
27 H PHE 4 H PHE 4 -10.801 -5.353 4.835
28 HA PHE 4 HA PHE 4 -11.226 -2.805 3.895
29 1HB PHE 4 2HB PHE 4 -9.212 -2.177 5.319
30 2HB PHE 4 1HB PHE 4 -10.533 -3.017 6.131
31 HD1 PHE 4 1HD PHE 4 -7.117 -3.336 4.820
32 HD2 PHE 4 2HD PHE 4 -10.223 -5.186 7.060
33 HE1 PHE 4 1HE PHE 4 -5.523 -5.030 5.621
34 HE2 PHE 4 2HE PHE 4 -8.636 -6.883 7.864
35 HZ PHE 4 HZ PHE 4 -6.283 -6.806 7.145
36 H CYS 5 H CYS 5 -8.689 -5.027 2.934
37 HA CYS 5 HA CYS 5 -6.926 -3.155 1.797
38 1HB CYS 5 2HB CYS 5 -7.401 -6.040 1.057
39 2HB CYS 5 1HB CYS 5 -6.074 -5.052 0.461
40 H LEU 6 H LEU 6 -10.008 -4.205 0.849
41 HA LEU 6 HA LEU 6 -9.698 -3.612 -1.963
42 1HB LEU 6 2HB LEU 6 -12.300 -3.911 -0.481
43 2HB LEU 6 1HB LEU 6 -11.995 -4.163 -2.188
44 HG LEU 6 HG LEU 6 -10.827 -5.905 -0.022
45 1HD1 LEU 6 1HD1 LEU 6 -13.374 -5.873 -0.188
46 2HD1 LEU 6 2HD1 LEU 6 -12.567 -7.436 -0.314
47 3HD1 LEU 6 3HD1 LEU 6 -13.155 -6.628 -1.767
48 1HD2 LEU 6 1HD2 LEU 6 -10.809 -7.448 -2.151
49 2HD2 LEU 6 2HD2 LEU 6 -9.513 -6.285 -1.864
50 3HD2 LEU 6 3HD2 LEU 6 -10.806 -5.903 -3.001
51 H GLU 7 H GLU 7 -10.161 -1.789 0.841
52 HA GLU 7 HA GLU 7 -11.822 0.271 -0.215
53 1HB GLU 7 2HB GLU 7 -9.890 0.400 2.108
54 2HB GLU 7 1HB GLU 7 -11.189 1.537 1.772
55 1HG GLU 7 2HG GLU 7 -11.737 -1.371 2.231
56 2HG GLU 7 1HG GLU 7 -11.574 -0.233 3.568
57 HA PRO 8 HA PRO 8 -8.425 2.106 -2.521
58 1HB PRO 8 2HB PRO 8 -9.879 3.636 -4.149
59 2HB PRO 8 1HB PRO 8 -9.861 1.877 -4.335
60 1HG PRO 8 2HG PRO 8 -11.914 3.624 -3.039
61 2HG PRO 8 1HG PRO 8 -12.148 2.239 -4.121
62 1HD PRO 8 2HD PRO 8 -12.337 2.117 -1.371
63 2HD PRO 8 1HD PRO 8 -11.964 0.728 -2.412
64 HA PRO 9 HA PRO 9 -8.243 6.022 -0.399
65 1HB PRO 9 2HB PRO 9 -5.785 6.752 -1.202
66 2HB PRO 9 1HB PRO 9 -6.044 5.396 -0.101
67 1HG PRO 9 2HG PRO 9 -5.231 5.380 -2.929
68 2HG PRO 9 1HG PRO 9 -5.015 4.142 -1.686
69 1HD PRO 9 2HD PRO 9 -7.032 4.279 -3.743
70 2HD PRO 9 1HD PRO 9 -6.757 3.000 -2.538
71 H TYR 10 H TYR 10 -8.606 8.161 -0.764
72 HA TYR 10 HA TYR 10 -9.164 8.953 -3.505
73 1HB TYR 10 2HB TYR 10 -10.079 11.035 -2.416
74 2HB TYR 10 1HB TYR 10 -10.876 9.536 -1.953
75 HD1 TYR 10 1HD TYR 10 -9.078 12.432 -0.805
76 HD2 TYR 10 2HD TYR 10 -10.332 8.519 0.297
77 HE1 TYR 10 1HE TYR 10 -8.726 12.990 1.561
78 HE2 TYR 10 2HE TYR 10 -9.977 9.066 2.667
79 HH TYR 10 HH TYR 10 -8.235 11.694 3.709
80 H ALA 11 H ALA 11 -8.153 10.601 -4.607
81 HA ALA 11 HA ALA 11 -5.686 11.649 -3.373
82 1HB ALA 11 1HB ALA 11 -6.200 10.456 -6.027
83 2HB ALA 11 2HB ALA 11 -4.753 10.411 -5.021
84 3HB ALA 11 3HB ALA 11 -5.114 11.845 -5.980
85 H GLY 12 H GLY 12 -6.048 13.709 -2.828
86 1HA GLY 12 2HA GLY 12 -6.016 15.955 -3.936
87 2HA GLY 12 1HA GLY 12 -7.469 15.429 -4.773
88 H ALA 13 H ALA 13 -6.879 17.682 -2.870
89 HA ALA 13 HA ALA 13 -7.976 18.828 -1.242
90 1HB ALA 13 1HB ALA 13 -10.348 18.165 -0.792
91 2HB ALA 13 2HB ALA 13 -10.106 16.793 -1.874
92 3HB ALA 13 3HB ALA 13 -9.969 18.438 -2.493
93 H CYS 14 H CYS 14 -6.075 17.190 -0.269
94 HA CYS 14 HA CYS 14 -6.994 16.690 2.390
95 1HB CYS 14 2HB CYS 14 -7.661 14.621 0.985
96 2HB CYS 14 1HB CYS 14 -5.939 14.256 0.975
97 H ARG 15 H ARG 15 -5.208 15.840 3.789
98 HA ARG 15 HA ARG 15 -2.521 15.944 2.776
99 1HB ARG 15 2HB ARG 15 -3.059 18.347 2.946
100 2HB ARG 15 1HB ARG 15 -3.460 18.129 4.644
101 1HG ARG 15 2HG ARG 15 -1.027 17.189 4.793
102 2HG ARG 15 1HG ARG 15 -0.800 18.115 3.308
103 1HD ARG 15 2HD ARG 15 -2.159 19.848 4.995
104 2HD ARG 15 1HD ARG 15 -1.012 19.026 6.053
105 HE ARG 15 HE ARG 15 0.419 19.776 3.820
106 1HH1 ARG 15 1HH1 ARG 15 -1.432 21.389 6.301
107 2HH1 ARG 15 2HH1 ARG 15 -0.495 22.843 6.229
108 1HH2 ARG 15 1HH2 ARG 15 1.651 21.687 3.724
109 2HH2 ARG 15 2HH2 ARG 15 1.255 23.013 4.765
110 H ALA 16 H ALA 16 -2.646 13.816 3.745
111 HA ALA 16 HA ALA 16 -1.647 13.796 6.416
112 1HB ALA 16 1HB ALA 16 -3.932 12.057 6.555
113 2HB ALA 16 2HB ALA 16 -4.434 13.710 6.198
114 3HB ALA 16 3HB ALA 16 -3.457 13.374 7.628
115 H ALA 17 H ALA 17 -0.780 11.802 7.039
116 HA ALA 17 HA ALA 17 0.116 9.727 6.793
117 1HB ALA 17 1HB ALA 17 -0.942 8.087 5.374
118 2HB ALA 17 2HB ALA 17 -1.843 9.350 4.536
119 3HB ALA 17 3HB ALA 17 -2.176 9.007 6.234
120 H ALA 18 H ALA 18 1.784 11.422 5.978
121 HA ALA 18 HA ALA 18 2.402 11.440 3.196
122 1HB ALA 18 1HB ALA 18 3.992 12.951 3.730
123 2HB ALA 18 2HB ALA 18 4.568 12.017 5.110
124 3HB ALA 18 3HB ALA 18 3.120 13.010 5.261
125 H ALA 19 H ALA 19 4.380 10.605 2.249
126 HA ALA 19 HA ALA 19 5.390 8.643 1.538
127 1HB ALA 19 1HB ALA 19 7.197 9.747 2.536
128 2HB ALA 19 2HB ALA 19 7.282 8.096 3.151
129 3HB ALA 19 3HB ALA 19 6.632 9.384 4.167
130 H ARG 20 H ARG 20 3.364 7.344 1.760
131 HA ARG 20 HA ARG 20 3.889 5.089 3.535
132 1HB ARG 20 2HB ARG 20 1.332 6.679 3.497
133 2HB ARG 20 1HB ARG 20 1.382 5.005 4.051
134 1HG ARG 20 2HG ARG 20 3.338 6.888 5.230
135 2HG ARG 20 1HG ARG 20 1.646 7.072 5.692
136 1HD ARG 20 2HD ARG 20 2.214 4.318 5.786
137 2HD ARG 20 1HD ARG 20 3.563 5.136 6.569
138 HE ARG 20 HE ARG 20 0.741 5.383 7.362
139 1HH1 ARG 20 1HH1 ARG 20 4.151 5.582 8.126
140 2HH1 ARG 20 2HH1 ARG 20 3.879 5.886 9.807
141 1HH2 ARG 20 1HH2 ARG 20 0.398 5.795 9.578
142 2HH2 ARG 20 2HH2 ARG 20 1.757 6.006 10.630
143 H TYR 21 H TYR 21 2.056 3.343 3.025
144 HA TYR 21 HA TYR 21 1.753 3.245 0.099
145 1HB TYR 21 2HB TYR 21 2.843 1.153 1.961
146 2HB TYR 21 1HB TYR 21 2.145 0.710 0.408
147 HD1 TYR 21 1HD TYR 21 4.815 2.762 1.980
148 HD2 TYR 21 2HD TYR 21 3.410 0.866 -1.558
149 HE1 TYR 21 1HE TYR 21 6.976 3.199 0.894
150 HE2 TYR 21 2HE TYR 21 5.567 1.297 -2.652
151 HH TYR 21 HH TYR 21 7.819 1.797 -2.156
152 H PHE 22 H PHE 22 0.079 1.906 -0.714
153 HA PHE 22 HA PHE 22 -1.930 0.917 1.174
154 1HB PHE 22 2HB PHE 22 -3.734 2.044 -0.167
155 2HB PHE 22 1HB PHE 22 -2.766 3.112 0.832
156 HD1 PHE 22 1HD PHE 22 -1.004 4.514 -0.230
157 HD2 PHE 22 2HD PHE 22 -3.795 2.260 -2.510
158 HE1 PHE 22 1HE PHE 22 -0.459 5.849 -2.217
159 HE2 PHE 22 2HE PHE 22 -3.254 3.595 -4.503
160 HZ PHE 22 HZ PHE 22 -1.578 5.394 -4.358
161 H TYR 23 H TYR 23 -3.398 -0.572 0.228
162 HA TYR 23 HA TYR 23 -2.221 -1.975 -2.033
163 1HB TYR 23 2HB TYR 23 -3.003 -3.256 -0.092
164 2HB TYR 23 1HB TYR 23 -4.656 -2.704 -0.387
165 HD1 TYR 23 1HD TYR 23 -1.845 -4.427 -2.150
166 HD2 TYR 23 2HD TYR 23 -6.050 -4.070 -1.640
167 HE1 TYR 23 1HE TYR 23 -2.189 -6.312 -3.689
168 HE2 TYR 23 2HE TYR 23 -6.406 -5.955 -3.173
169 HH TYR 23 HH TYR 23 -3.860 -7.983 -4.212
170 H ASN 24 H ASN 24 -3.075 -2.237 -4.015
171 HA ASN 24 HA ASN 24 -5.471 -0.647 -4.677
172 1HB ASN 24 2HB ASN 24 -3.439 0.215 -5.738
173 2HB ASN 24 1HB ASN 24 -3.097 -1.377 -6.415
174 1HD2 ASN 24 1HD2 ASN 24 -3.442 1.133 -7.771
175 2HD2 ASN 24 2HD2 ASN 24 -4.760 0.912 -8.876
176 H ALA 25 H ALA 25 -6.930 -2.350 -4.265
177 HA ALA 25 HA ALA 25 -6.750 -4.971 -5.135
178 1HB ALA 25 1HB ALA 25 -9.389 -3.571 -5.176
179 2HB ALA 25 2HB ALA 25 -8.523 -3.774 -3.653
180 3HB ALA 25 3HB ALA 25 -8.985 -5.188 -4.600
181 H LYS 26 H LYS 26 -7.417 -2.101 -6.956
182 HA LYS 26 HA LYS 26 -8.545 -3.467 -9.224
183 1HB LYS 26 2HB LYS 26 -8.052 -0.705 -8.414
184 2HB LYS 26 1HB LYS 26 -7.731 -0.981 -10.121
185 1HG LYS 26 2HG LYS 26 -10.012 -2.034 -10.266
186 2HG LYS 26 1HG LYS 26 -10.302 -1.433 -8.632
187 1HD LYS 26 2HD LYS 26 -11.095 0.380 -9.708
188 2HD LYS 26 1HD LYS 26 -9.389 0.811 -9.840
189 1HE LYS 26 2HE LYS 26 -10.259 1.056 -12.010
190 2HE LYS 26 1HE LYS 26 -9.389 -0.477 -12.029
191 1HZ LYS 26 1HZ LYS 26 -11.349 -1.681 -12.055
192 2HZ LYS 26 2HZ LYS 26 -11.719 -0.371 -13.058
193 3HZ LYS 26 3HZ LYS 26 -12.282 -0.401 -11.463
194 H ALA 27 H ALA 27 -5.429 -3.281 -8.046
195 HA ALA 27 HA ALA 27 -4.360 -3.944 -10.696
196 1HB ALA 27 1HB ALA 27 -3.038 -2.173 -10.849
197 2HB ALA 27 2HB ALA 27 -2.386 -2.453 -9.234
198 3HB ALA 27 3HB ALA 27 -3.856 -1.501 -9.438
199 H GLY 28 H GLY 28 -4.758 -4.946 -7.602
200 1HA GLY 28 2HA GLY 28 -3.915 -6.711 -6.443
201 2HA GLY 28 1HA GLY 28 -2.994 -7.083 -7.876
202 H LEU 29 H LEU 29 -1.994 -4.078 -7.266
203 HA LEU 29 HA LEU 29 0.083 -4.971 -5.379
204 1HB LEU 29 2HB LEU 29 0.306 -3.856 -8.054
205 2HB LEU 29 1HB LEU 29 1.218 -2.925 -6.882
206 HG LEU 29 HG LEU 29 2.269 -5.135 -6.161
207 1HD1 LEU 29 1HD1 LEU 29 2.282 -6.878 -7.927
208 2HD1 LEU 29 2HD1 LEU 29 0.997 -5.996 -8.752
209 3HD1 LEU 29 3HD1 LEU 29 0.713 -6.672 -7.148
210 1HD2 LEU 29 1HD2 LEU 29 3.969 -4.969 -7.802
211 2HD2 LEU 29 2HD2 LEU 29 3.318 -3.344 -7.592
212 3HD2 LEU 29 3HD2 LEU 29 2.852 -4.306 -8.994
213 H CYS 30 H CYS 30 1.341 -2.960 -4.511
214 HA CYS 30 HA CYS 30 -0.689 -1.085 -3.529
215 1HB CYS 30 2HB CYS 30 2.027 -1.226 -2.311
216 2HB CYS 30 1HB CYS 30 0.482 -0.859 -1.565
217 H GLN 31 H GLN 31 0.176 1.117 -2.987
218 HA GLN 31 HA GLN 31 2.268 2.062 -4.758
219 1HB GLN 31 2HB GLN 31 -0.621 2.780 -5.069
220 2HB GLN 31 1HB GLN 31 0.621 3.950 -5.484
221 1HG GLN 31 2HG GLN 31 1.569 2.406 -7.094
222 2HG GLN 31 1HG GLN 31 0.381 1.184 -6.644
223 1HE2 GLN 31 1HE2 GLN 31 -1.952 2.289 -6.634
224 2HE2 GLN 31 2HE2 GLN 31 -2.343 3.067 -8.126
225 H THR 32 H THR 32 2.940 4.242 -4.342
226 HA THR 32 HA THR 32 2.764 4.951 -1.547
227 HB THR 32 HB THR 32 4.876 5.111 -2.960
228 HG1 THR 32 1HG THR 32 4.086 7.521 -1.702
229 1HG2 THR 32 1HG2 THR 32 5.249 6.804 -4.458
230 2HG2 THR 32 2HG2 THR 32 3.913 7.783 -3.850
231 3HG2 THR 32 3HG2 THR 32 3.584 6.359 -4.837
232 H PHE 33 H PHE 33 1.935 6.890 -0.718
233 HA PHE 33 HA PHE 33 -0.452 7.779 -1.941
234 1HB PHE 33 2HB PHE 33 1.137 8.680 0.441
235 2HB PHE 33 1HB PHE 33 -0.252 9.615 -0.109
236 HD1 PHE 33 1HD PHE 33 0.848 6.789 1.749
237 HD2 PHE 33 2HD PHE 33 -2.481 8.408 -0.335
238 HE1 PHE 33 1HE PHE 33 -0.642 5.226 2.927
239 HE2 PHE 33 2HE PHE 33 -3.980 6.851 0.838
240 HZ PHE 33 HZ PHE 33 -3.059 5.255 2.471
241 H ALA 34 H ALA 34 -0.656 9.087 -3.605
242 HA ALA 34 HA ALA 34 1.484 10.701 -4.588
243 1HB ALA 34 1HB ALA 34 0.186 9.909 -6.310
244 2HB ALA 34 2HB ALA 34 -0.487 11.527 -6.119
245 3HB ALA 34 3HB ALA 34 -1.321 10.139 -5.424
246 H TYR 35 H TYR 35 0.438 13.025 -5.443
247 HA TYR 35 HA TYR 35 0.774 14.815 -3.432
248 1HB TYR 35 2HB TYR 35 0.170 15.011 -6.080
249 2HB TYR 35 1HB TYR 35 -1.292 15.664 -5.348
250 HD1 TYR 35 1HD TYR 35 -0.737 17.342 -3.300
251 HD2 TYR 35 2HD TYR 35 1.815 16.531 -6.606
252 HE1 TYR 35 1HE TYR 35 0.417 19.481 -2.927
253 HE2 TYR 35 2HE TYR 35 2.974 18.671 -6.243
254 HH TYR 35 HH TYR 35 2.426 20.905 -5.173
255 H GLY 36 H GLY 36 -0.374 15.663 -1.794
256 1HA GLY 36 2HA GLY 36 -1.912 15.650 -0.106
257 2HA GLY 36 1HA GLY 36 -2.926 16.187 -1.425
258 H ALA 37 H ALA 37 -1.666 12.929 -1.408
259 HA ALA 37 HA ALA 37 -4.284 11.815 -1.508
260 1HB ALA 37 1HB ALA 37 -1.874 10.172 -0.870
261 2HB ALA 37 2HB ALA 37 -2.041 10.904 -2.465
262 3HB ALA 37 3HB ALA 37 -3.264 9.777 -1.880
263 H CYS 38 H CYS 38 -4.921 9.979 0.041
264 HA CYS 38 HA CYS 38 -3.949 10.270 2.749
265 1HB CYS 38 2HB CYS 38 -6.646 11.279 1.907
266 2HB CYS 38 1HB CYS 38 -6.397 10.642 3.532
267 H ALA 39 H ALA 39 -4.479 8.592 4.092
268 HA ALA 39 HA ALA 39 -5.179 6.126 2.852
269 1HB ALA 39 1HB ALA 39 -5.042 5.221 5.177
270 2HB ALA 39 2HB ALA 39 -4.765 6.867 5.746
271 3HB ALA 39 3HB ALA 39 -3.606 6.104 4.658
272 H ALA 40 H ALA 40 -6.854 4.671 4.091
273 HA ALA 40 HA ALA 40 -9.307 6.247 4.497
274 1HB ALA 40 1HB ALA 40 -8.793 3.983 2.682
275 2HB ALA 40 2HB ALA 40 -9.937 5.317 2.540
276 3HB ALA 40 3HB ALA 40 -10.319 3.934 3.567
277 H LYS 41 H LYS 41 -7.504 5.349 6.479
278 HA LYS 41 HA LYS 41 -7.859 4.749 8.675
279 1HB LYS 41 2HB LYS 41 -10.359 4.615 7.981
280 2HB LYS 41 1HB LYS 41 -10.075 2.882 7.924
281 1HG LYS 41 2HG LYS 41 -10.928 3.291 10.062
282 2HG LYS 41 1HG LYS 41 -9.190 3.096 10.292
283 1HD LYS 41 2HD LYS 41 -9.954 5.855 9.759
284 2HD LYS 41 1HD LYS 41 -10.729 5.199 11.202
285 1HE LYS 41 2HE LYS 41 -8.520 4.491 12.033
286 2HE LYS 41 1HE LYS 41 -7.771 5.220 10.614
287 1HZ LYS 41 1HZ LYS 41 -9.504 6.843 12.356
288 2HZ LYS 41 2HZ LYS 41 -8.239 7.338 11.348
289 3HZ LYS 41 3HZ LYS 41 -7.899 6.549 12.805
290 H ARG 42 H ARG 42 -8.807 1.905 6.743
291 HA ARG 42 HA ARG 42 -6.883 0.297 8.179
292 1HB ARG 42 2HB ARG 42 -8.994 -0.356 6.135
293 2HB ARG 42 1HB ARG 42 -7.853 -1.554 6.725
294 1HG ARG 42 2HG ARG 42 -9.617 -1.941 8.114
295 2HG ARG 42 1HG ARG 42 -8.716 -0.765 9.073
296 1HD ARG 42 2HD ARG 42 -10.260 0.873 8.766
297 2HD ARG 42 1HD ARG 42 -10.700 0.307 7.159
298 HE ARG 42 HE ARG 42 -11.654 -0.876 9.684
299 1HH1 ARG 42 1HH1 ARG 42 -12.069 -0.250 6.263
300 2HH1 ARG 42 2HH1 ARG 42 -13.653 -0.943 6.211
301 1HH2 ARG 42 1HH2 ARG 42 -13.734 -1.785 9.598
302 2HH2 ARG 42 2HH2 ARG 42 -14.596 -1.812 8.096
303 H ASN 43 H ASN 43 -7.416 1.411 4.858
304 HA ASN 43 HA ASN 43 -5.252 -0.060 3.755
305 1HB ASN 43 2HB ASN 43 -7.438 1.389 2.815
306 2HB ASN 43 1HB ASN 43 -6.050 2.330 2.280
307 1HD2 ASN 43 1HD2 ASN 43 -7.504 -0.790 2.338
308 2HD2 ASN 43 2HD2 ASN 43 -6.802 -1.396 0.865
309 H ASN 44 H ASN 44 -3.700 0.678 5.483
310 HA ASN 44 HA ASN 44 -2.083 2.834 4.427
311 1HB ASN 44 2HB ASN 44 -3.535 4.124 5.843
312 2HB ASN 44 1HB ASN 44 -3.338 2.986 7.169
313 1HD2 ASN 44 1HD2 ASN 44 -1.777 3.316 8.598
314 2HD2 ASN 44 2HD2 ASN 44 -0.541 4.512 8.466
315 H PHE 45 H PHE 45 -0.427 1.316 4.119
316 HA PHE 45 HA PHE 45 0.610 0.011 6.540
317 1HB PHE 45 2HB PHE 45 1.131 -0.554 3.610
318 2HB PHE 45 1HB PHE 45 1.888 -1.405 4.953
319 HD1 PHE 45 1HD PHE 45 0.527 -2.838 6.438
320 HD2 PHE 45 2HD PHE 45 -1.084 -1.056 2.926
321 HE1 PHE 45 1HE PHE 45 -1.371 -4.402 6.520
322 HE2 PHE 45 2HE PHE 45 -2.983 -2.617 2.999
323 HZ PHE 45 HZ PHE 45 -3.130 -4.295 4.798
324 H LYS 46 H LYS 46 2.506 0.670 7.380
325 HA LYS 46 HA LYS 46 3.743 3.037 6.504
326 1HB LYS 46 2HB LYS 46 3.791 2.169 8.840
327 2HB LYS 46 1HB LYS 46 4.921 0.927 8.317
328 1HG LYS 46 2HG LYS 46 6.589 2.551 7.809
329 2HG LYS 46 1HG LYS 46 5.448 3.876 8.048
330 1HD LYS 46 2HD LYS 46 5.229 3.173 10.427
331 2HD LYS 46 1HD LYS 46 6.498 1.980 10.147
332 1HE LYS 46 2HE LYS 46 7.452 4.459 9.178
333 2HE LYS 46 1HE LYS 46 6.742 4.759 10.764
334 1HZ LYS 46 1HZ LYS 46 8.103 2.696 11.446
335 2HZ LYS 46 2HZ LYS 46 8.897 4.178 11.270
336 3HZ LYS 46 3HZ LYS 46 9.002 3.013 10.048
337 H SER 47 H SER 47 4.033 -0.125 5.322
338 HA SER 47 HA SER 47 6.234 0.695 3.624
339 1HB SER 47 2HB SER 47 7.000 -1.893 4.268
340 2HB SER 47 1HB SER 47 7.781 -0.409 4.809
341 HG SER 47 HG SER 47 6.475 -0.469 6.665
342 H ALA 48 H ALA 48 6.330 -0.382 1.680
343 HA ALA 48 HA ALA 48 3.925 -1.486 0.717
344 1HB ALA 48 1HB ALA 48 6.503 -0.815 -0.371
345 2HB ALA 48 2HB ALA 48 4.955 -0.985 -1.202
346 3HB ALA 48 3HB ALA 48 5.993 -2.392 -0.972
347 H GLU 49 H GLU 49 6.826 -2.910 2.069
348 HA GLU 49 HA GLU 49 6.323 -5.589 1.387
349 1HB GLU 49 2HB GLU 49 7.782 -4.320 3.707
350 2HB GLU 49 1HB GLU 49 7.666 -6.065 3.518
351 1HG GLU 49 2HG GLU 49 9.754 -5.400 2.630
352 2HG GLU 49 1HG GLU 49 8.714 -5.808 1.266
353 H ASP 50 H ASP 50 5.257 -3.501 4.000
354 HA ASP 50 HA ASP 50 3.878 -5.466 5.494
355 1HB ASP 50 2HB ASP 50 4.447 -2.767 5.803
356 2HB ASP 50 1HB ASP 50 2.694 -2.809 5.642
357 H CYS 51 H CYS 51 2.766 -3.142 2.985
358 HA CYS 51 HA CYS 51 0.057 -3.914 3.044
359 1HB CYS 51 2HB CYS 51 0.542 -1.907 1.907
360 2HB CYS 51 1HB CYS 51 1.827 -2.650 0.955
361 H LEU 52 H LEU 52 2.679 -4.964 0.873
362 HA LEU 52 HA LEU 52 1.242 -6.823 -0.605
363 1HB LEU 52 2HB LEU 52 4.160 -6.794 0.162
364 2HB LEU 52 1HB LEU 52 3.471 -7.901 -1.012
365 HG LEU 52 HG LEU 52 3.455 -4.893 -1.267
366 1HD1 LEU 52 1HD1 LEU 52 5.712 -5.729 -1.456
367 2HD1 LEU 52 2HD1 LEU 52 5.114 -5.274 -3.051
368 3HD1 LEU 52 3HD1 LEU 52 5.188 -6.974 -2.589
369 1HD2 LEU 52 1HD2 LEU 52 2.463 -7.125 -3.007
370 2HD2 LEU 52 2HD2 LEU 52 2.899 -5.554 -3.678
371 3HD2 LEU 52 3HD2 LEU 52 1.614 -5.674 -2.475
372 H ARG 53 H ARG 53 3.060 -7.302 2.423
373 HA ARG 53 HA ARG 53 2.729 -10.072 2.593
374 1HB ARG 53 2HB ARG 53 4.038 -8.259 4.097
375 2HB ARG 53 1HB ARG 53 2.649 -8.548 5.134
376 1HG ARG 53 2HG ARG 53 4.379 -10.750 4.041
377 2HG ARG 53 1HG ARG 53 4.667 -9.961 5.593
378 1HD ARG 53 2HD ARG 53 3.398 -11.721 6.294
379 2HD ARG 53 1HD ARG 53 2.119 -10.553 5.963
380 HE ARG 53 HE ARG 53 1.424 -11.848 4.197
381 1HH1 ARG 53 1HH1 ARG 53 4.547 -12.970 5.289
382 2HH1 ARG 53 2HH1 ARG 53 4.507 -14.405 4.322
383 1HH2 ARG 53 1HH2 ARG 53 1.375 -13.735 2.925
384 2HH2 ARG 53 2HH2 ARG 53 2.708 -14.840 2.979
385 H THR 54 H THR 54 0.689 -7.452 3.848
386 HA THR 54 HA THR 54 -1.239 -9.299 4.923
387 HB THR 54 HB THR 54 -1.429 -6.301 4.585
388 HG1 THR 54 1HG THR 54 -0.550 -6.165 6.562
389 1HG2 THR 54 1HG2 THR 54 -3.157 -8.298 5.933
390 2HG2 THR 54 2HG2 THR 54 -3.583 -6.802 5.102
391 3HG2 THR 54 3HG2 THR 54 -2.896 -6.743 6.726
392 H CYS 55 H CYS 55 -1.574 -6.703 2.472
393 HA CYS 55 HA CYS 55 -3.971 -7.960 1.492
394 1HB CYS 55 2HB CYS 55 -2.610 -5.534 0.337
395 2HB CYS 55 1HB CYS 55 -4.293 -6.016 0.163
396 H GLY 56 H GLY 56 -0.636 -7.719 0.452
397 1HA GLY 56 2HA GLY 56 -1.052 -8.378 -2.265
398 2HA GLY 56 1HA GLY 56 0.448 -8.607 -1.380
399 H GLY 57 H GLY 57 1.119 -10.648 -1.509
400 1HA GLY 57 2HA GLY 57 1.033 -12.942 -1.092
401 2HA GLY 57 1HA GLY 57 -0.700 -12.808 -0.832
402 H ALA 58 H ALA 58 -1.816 -11.990 -3.023
403 HA ALA 58 HA ALA 58 -1.394 -14.136 -4.879
404 1HB ALA 58 1HB ALA 58 -3.470 -12.220 -4.313
405 2HB ALA 58 2HB ALA 58 -3.572 -13.775 -5.138
406 3HB ALA 58 3HB ALA 58 -3.165 -12.319 -6.047
Start of MODEL 7
1 1H ARG 1 1HT ARG 1 -7.780 -13.315 0.500
2 2H ARG 1 2HT ARG 1 -6.811 -13.334 -0.916
3 3H ARG 1 3HT ARG 1 -8.471 -12.911 -1.016
4 HA ARG 1 HA ARG 1 -6.228 -11.402 0.101
5 1HB ARG 1 2HB ARG 1 -6.947 -9.737 -1.448
6 2HB ARG 1 1HB ARG 1 -6.942 -11.265 -2.317
7 1HG ARG 1 2HG ARG 1 -9.465 -11.325 -1.620
8 2HG ARG 1 1HG ARG 1 -9.240 -9.583 -1.451
9 1HD ARG 1 2HD ARG 1 -9.904 -9.731 -3.645
10 2HD ARG 1 1HD ARG 1 -8.151 -9.794 -3.818
11 HE ARG 1 HE ARG 1 -8.822 -12.397 -3.644
12 1HH1 ARG 1 1HH1 ARG 1 -10.015 -9.784 -5.625
13 2HH1 ARG 1 2HH1 ARG 1 -10.438 -10.816 -6.950
14 1HH2 ARG 1 1HH2 ARG 1 -9.377 -13.755 -5.387
15 2HH2 ARG 1 2HH2 ARG 1 -10.076 -13.070 -6.815
16 HA PRO 2 HA PRO 2 -8.797 -10.144 3.498
17 1HB PRO 2 2HB PRO 2 -7.303 -7.609 3.483
18 2HB PRO 2 1HB PRO 2 -7.423 -8.840 4.748
19 1HG PRO 2 2HG PRO 2 -5.171 -8.461 3.293
20 2HG PRO 2 1HG PRO 2 -5.653 -10.042 3.936
21 1HD PRO 2 2HD PRO 2 -5.836 -8.998 1.152
22 2HD PRO 2 1HD PRO 2 -5.518 -10.646 1.726
23 H ASP 3 H ASP 3 -10.699 -9.125 3.629
24 HA ASP 3 HA ASP 3 -11.976 -8.003 1.490
25 1HB ASP 3 2HB ASP 3 -12.502 -7.513 4.425
26 2HB ASP 3 1HB ASP 3 -13.621 -7.102 3.129
27 H PHE 4 H PHE 4 -10.663 -6.089 4.223
28 HA PHE 4 HA PHE 4 -11.309 -3.588 3.269
29 1HB PHE 4 2HB PHE 4 -9.188 -2.829 4.530
30 2HB PHE 4 1HB PHE 4 -10.494 -3.588 5.442
31 HD1 PHE 4 1HD PHE 4 -10.213 -5.807 6.378
32 HD2 PHE 4 2HD PHE 4 -7.081 -3.916 4.207
33 HE1 PHE 4 1HE PHE 4 -8.608 -7.438 7.279
34 HE2 PHE 4 2HE PHE 4 -5.472 -5.547 5.099
35 HZ PHE 4 HZ PHE 4 -6.233 -7.310 6.637
36 H CYS 5 H CYS 5 -8.857 -5.701 2.070
37 HA CYS 5 HA CYS 5 -7.157 -3.815 0.861
38 1HB CYS 5 2HB CYS 5 -7.776 -6.640 0.008
39 2HB CYS 5 1HB CYS 5 -6.463 -5.656 -0.608
40 H LEU 6 H LEU 6 -10.336 -4.759 0.155
41 HA LEU 6 HA LEU 6 -10.252 -4.067 -2.652
42 1HB LEU 6 2HB LEU 6 -12.699 -4.468 -0.936
43 2HB LEU 6 1HB LEU 6 -12.590 -4.571 -2.683
44 HG LEU 6 HG LEU 6 -11.303 -6.502 -0.746
45 1HD1 LEU 6 1HD1 LEU 6 -13.471 -7.143 -0.577
46 2HD1 LEU 6 2HD1 LEU 6 -13.066 -7.985 -2.072
47 3HD1 LEU 6 3HD1 LEU 6 -13.919 -6.444 -2.133
48 1HD2 LEU 6 1HD2 LEU 6 -11.659 -7.119 -3.619
49 2HD2 LEU 6 2HD2 LEU 6 -10.372 -7.586 -2.507
50 3HD2 LEU 6 3HD2 LEU 6 -10.392 -5.965 -3.202
51 H GLU 7 H GLU 7 -10.560 -2.361 0.279
52 HA GLU 7 HA GLU 7 -12.266 -0.265 -0.625
53 1HB GLU 7 2HB GLU 7 -10.647 -0.823 1.774
54 2HB GLU 7 1HB GLU 7 -10.844 0.880 1.395
55 1HG GLU 7 2HG GLU 7 -12.606 0.427 2.825
56 2HG GLU 7 1HG GLU 7 -13.343 0.356 1.225
57 HA PRO 8 HA PRO 8 -9.006 1.786 -2.923
58 1HB PRO 8 2HB PRO 8 -10.559 3.412 -4.358
59 2HB PRO 8 1HB PRO 8 -10.539 1.670 -4.664
60 1HG PRO 8 2HG PRO 8 -12.563 3.318 -3.216
61 2HG PRO 8 1HG PRO 8 -12.804 1.929 -4.289
62 1HD PRO 8 2HD PRO 8 -12.798 1.853 -1.497
63 2HD PRO 8 1HD PRO 8 -12.619 0.453 -2.572
64 HA PRO 9 HA PRO 9 -8.631 5.570 -0.620
65 1HB PRO 9 2HB PRO 9 -6.500 6.640 -1.851
66 2HB PRO 9 1HB PRO 9 -6.372 5.156 -0.901
67 1HG PRO 9 2HG PRO 9 -6.363 5.523 -3.842
68 2HG PRO 9 1HG PRO 9 -5.581 4.278 -2.860
69 1HD PRO 9 2HD PRO 9 -8.019 4.046 -4.286
70 2HD PRO 9 1HD PRO 9 -7.317 2.873 -3.149
71 H TYR 10 H TYR 10 -8.139 8.028 -1.151
72 HA TYR 10 HA TYR 10 -9.347 8.941 -3.617
73 1HB TYR 10 2HB TYR 10 -11.194 10.080 -2.661
74 2HB TYR 10 1HB TYR 10 -11.227 8.458 -1.981
75 HD1 TYR 10 1HD TYR 10 -10.744 12.005 -1.271
76 HD2 TYR 10 2HD TYR 10 -10.676 8.082 0.374
77 HE1 TYR 10 1HE TYR 10 -10.789 12.960 0.995
78 HE2 TYR 10 2HE TYR 10 -10.721 9.027 2.645
79 HH TYR 10 HH TYR 10 -9.958 11.378 3.676
80 H ALA 11 H ALA 11 -9.030 11.171 -4.023
81 HA ALA 11 HA ALA 11 -7.119 12.487 -2.205
82 1HB ALA 11 1HB ALA 11 -6.393 13.520 -4.581
83 2HB ALA 11 2HB ALA 11 -6.901 11.909 -5.087
84 3HB ALA 11 3HB ALA 11 -5.643 12.093 -3.864
85 H GLY 12 H GLY 12 -7.760 14.400 -1.504
86 1HA GLY 12 2HA GLY 12 -8.908 16.408 -3.100
87 2HA GLY 12 1HA GLY 12 -10.194 15.591 -2.220
88 H ALA 13 H ALA 13 -7.360 17.591 -1.978
89 HA ALA 13 HA ALA 13 -6.563 18.965 -0.348
90 1HB ALA 13 1HB ALA 13 -8.102 20.352 0.577
91 2HB ALA 13 2HB ALA 13 -9.153 19.030 1.087
92 3HB ALA 13 3HB ALA 13 -9.149 19.557 -0.598
93 H CYS 14 H CYS 14 -5.145 17.625 0.701
94 HA CYS 14 HA CYS 14 -5.798 16.925 3.403
95 1HB CYS 14 2HB CYS 14 -5.539 14.799 1.317
96 2HB CYS 14 1HB CYS 14 -4.917 14.493 2.933
97 H ARG 15 H ARG 15 -3.841 15.773 4.440
98 HA ARG 15 HA ARG 15 -1.307 16.243 3.139
99 1HB ARG 15 2HB ARG 15 -0.524 17.689 5.094
100 2HB ARG 15 1HB ARG 15 -1.555 18.456 3.894
101 1HG ARG 15 2HG ARG 15 -3.149 18.891 5.388
102 2HG ARG 15 1HG ARG 15 -3.063 17.271 6.081
103 1HD ARG 15 2HD ARG 15 -0.703 18.771 6.752
104 2HD ARG 15 1HD ARG 15 -2.147 19.674 7.207
105 HE ARG 15 HE ARG 15 -1.111 17.404 8.518
106 1HH1 ARG 15 1HH1 ARG 15 -4.148 18.807 7.523
107 2HH1 ARG 15 2HH1 ARG 15 -5.056 18.050 8.788
108 1HH2 ARG 15 1HH2 ARG 15 -2.304 16.407 10.183
109 2HH2 ARG 15 2HH2 ARG 15 -4.010 16.688 10.299
110 H ALA 16 H ALA 16 0.534 15.756 4.729
111 HA ALA 16 HA ALA 16 1.533 14.449 6.322
112 1HB ALA 16 1HB ALA 16 -0.828 13.121 7.403
113 2HB ALA 16 2HB ALA 16 -0.919 14.880 7.477
114 3HB ALA 16 3HB ALA 16 0.438 14.035 8.224
115 H ALA 17 H ALA 17 2.420 13.175 4.714
116 HA ALA 17 HA ALA 17 1.585 10.485 4.713
117 1HB ALA 17 1HB ALA 17 0.125 11.525 2.953
118 2HB ALA 17 2HB ALA 17 1.106 10.164 2.415
119 3HB ALA 17 3HB ALA 17 1.595 11.812 2.023
120 H ALA 18 H ALA 18 3.787 10.936 5.747
121 HA ALA 18 HA ALA 18 6.018 11.410 4.046
122 1HB ALA 18 1HB ALA 18 7.340 11.154 5.928
123 2HB ALA 18 2HB ALA 18 6.251 9.976 6.660
124 3HB ALA 18 3HB ALA 18 5.804 11.682 6.617
125 H ALA 19 H ALA 19 5.651 9.910 2.323
126 HA ALA 19 HA ALA 19 5.987 7.971 1.176
127 1HB ALA 19 1HB ALA 19 8.191 7.773 1.569
128 2HB ALA 19 2HB ALA 19 7.703 6.411 2.576
129 3HB ALA 19 3HB ALA 19 8.008 7.986 3.310
130 H ARG 20 H ARG 20 3.919 7.102 1.317
131 HA ARG 20 HA ARG 20 3.695 4.799 3.117
132 1HB ARG 20 2HB ARG 20 1.379 6.680 2.618
133 2HB ARG 20 1HB ARG 20 1.403 5.266 3.675
134 1HG ARG 20 2HG ARG 20 3.433 6.735 4.705
135 2HG ARG 20 1HG ARG 20 2.320 7.997 4.166
136 1HD ARG 20 2HD ARG 20 0.983 7.605 5.894
137 2HD ARG 20 1HD ARG 20 0.853 5.903 5.452
138 HE ARG 20 HE ARG 20 2.880 5.527 6.757
139 1HH1 ARG 20 1HH1 ARG 20 1.087 8.466 7.372
140 2HH1 ARG 20 2HH1 ARG 20 1.728 8.664 8.966
141 1HH2 ARG 20 1HH2 ARG 20 3.721 5.800 8.852
142 2HH2 ARG 20 2HH2 ARG 20 3.221 7.157 9.805
143 H TYR 21 H TYR 21 1.885 3.313 2.400
144 HA TYR 21 HA TYR 21 1.437 3.472 -0.495
145 1HB TYR 21 2HB TYR 21 2.639 1.175 1.031
146 2HB TYR 21 1HB TYR 21 1.850 0.938 -0.523
147 HD1 TYR 21 1HD TYR 21 4.471 3.113 1.027
148 HD2 TYR 21 2HD TYR 21 3.161 0.983 -2.412
149 HE1 TYR 21 1HE TYR 21 6.574 3.675 -0.114
150 HE2 TYR 21 2HE TYR 21 5.259 1.540 -3.562
151 HH TYR 21 HH TYR 21 7.498 2.208 -3.088
152 H PHE 22 H PHE 22 -0.186 1.877 -1.256
153 HA PHE 22 HA PHE 22 -2.103 0.942 0.741
154 1HB PHE 22 2HB PHE 22 -3.990 1.900 -0.639
155 2HB PHE 22 1HB PHE 22 -3.073 3.061 0.297
156 HD1 PHE 22 1HD PHE 22 -1.360 4.480 -0.877
157 HD2 PHE 22 2HD PHE 22 -4.178 2.074 -2.967
158 HE1 PHE 22 1HE PHE 22 -0.970 5.797 -2.916
159 HE2 PHE 22 2HE PHE 22 -3.791 3.388 -5.011
160 HZ PHE 22 HZ PHE 22 -2.183 5.252 -4.987
161 H TYR 23 H TYR 23 -3.540 -0.664 -0.087
162 HA TYR 23 HA TYR 23 -2.275 -2.177 -2.224
163 1HB TYR 23 2HB TYR 23 -3.023 -3.339 -0.197
164 2HB TYR 23 1HB TYR 23 -4.697 -2.892 -0.555
165 HD1 TYR 23 1HD TYR 23 -1.786 -4.788 -1.882
166 HD2 TYR 23 2HD TYR 23 -5.998 -4.231 -1.976
167 HE1 TYR 23 1HE TYR 23 -2.014 -6.800 -3.275
168 HE2 TYR 23 2HE TYR 23 -6.241 -6.246 -3.361
169 HH TYR 23 HH TYR 23 -4.950 -7.624 -4.848
170 H ASN 24 H ASN 24 -3.081 -2.656 -4.178
171 HA ASN 24 HA ASN 24 -5.563 -1.287 -5.000
172 1HB ASN 24 2HB ASN 24 -3.601 -0.296 -6.060
173 2HB ASN 24 1HB ASN 24 -3.063 -1.883 -6.608
174 1HD2 ASN 24 1HD2 ASN 24 -3.669 0.530 -8.106
175 2HD2 ASN 24 2HD2 ASN 24 -4.882 0.074 -9.257
176 H ALA 25 H ALA 25 -6.909 -3.066 -4.575
177 HA ALA 25 HA ALA 25 -6.465 -5.717 -5.209
178 1HB ALA 25 1HB ALA 25 -8.574 -6.030 -4.520
179 2HB ALA 25 2HB ALA 25 -9.227 -4.864 -5.669
180 3HB ALA 25 3HB ALA 25 -8.545 -4.308 -4.141
181 H LYS 26 H LYS 26 -7.316 -3.082 -7.314
182 HA LYS 26 HA LYS 26 -8.084 -4.755 -9.524
183 1HB LYS 26 2HB LYS 26 -8.232 -1.990 -8.870
184 2HB LYS 26 1HB LYS 26 -7.370 -2.132 -10.395
185 1HG LYS 26 2HG LYS 26 -9.750 -3.809 -10.258
186 2HG LYS 26 1HG LYS 26 -10.089 -2.087 -10.085
187 1HD LYS 26 2HD LYS 26 -8.275 -3.051 -12.261
188 2HD LYS 26 1HD LYS 26 -10.025 -3.153 -12.457
189 1HE LYS 26 2HE LYS 26 -9.872 -1.058 -13.233
190 2HE LYS 26 1HE LYS 26 -9.703 -0.600 -11.539
191 1HZ LYS 26 1HZ LYS 26 -7.525 -0.152 -11.786
192 2HZ LYS 26 2HZ LYS 26 -7.944 0.057 -13.411
193 3HZ LYS 26 3HZ LYS 26 -7.261 -1.402 -12.896
194 H ALA 27 H ALA 27 -5.129 -4.188 -8.150
195 HA ALA 27 HA ALA 27 -3.772 -4.819 -10.674
196 1HB ALA 27 1HB ALA 27 -3.471 -2.448 -10.417
197 2HB ALA 27 2HB ALA 27 -1.937 -3.264 -10.112
198 3HB ALA 27 3HB ALA 27 -2.901 -2.662 -8.763
199 H GLY 28 H GLY 28 -4.296 -5.675 -7.508
200 1HA GLY 28 2HA GLY 28 -3.388 -7.292 -6.193
201 2HA GLY 28 1HA GLY 28 -2.402 -7.713 -7.569
202 H LEU 29 H LEU 29 -1.666 -4.589 -7.108
203 HA LEU 29 HA LEU 29 0.420 -5.193 -5.124
204 1HB LEU 29 2HB LEU 29 0.684 -4.353 -7.881
205 2HB LEU 29 1HB LEU 29 1.461 -3.215 -6.797
206 HG LEU 29 HG LEU 29 2.312 -5.692 -5.871
207 1HD1 LEU 29 1HD1 LEU 29 1.717 -7.018 -7.651
208 2HD1 LEU 29 2HD1 LEU 29 3.342 -6.518 -8.122
209 3HD1 LEU 29 3HD1 LEU 29 1.934 -5.724 -8.829
210 1HD2 LEU 29 1HD2 LEU 29 3.863 -3.996 -5.843
211 2HD2 LEU 29 2HD2 LEU 29 3.504 -3.493 -7.495
212 3HD2 LEU 29 3HD2 LEU 29 4.440 -4.959 -7.202
213 H CYS 30 H CYS 30 1.511 -3.064 -4.362
214 HA CYS 30 HA CYS 30 -0.660 -1.259 -3.596
215 1HB CYS 30 2HB CYS 30 2.040 -1.117 -2.332
216 2HB CYS 30 1HB CYS 30 0.462 -0.783 -1.636
217 H GLN 31 H GLN 31 0.066 1.043 -3.162
218 HA GLN 31 HA GLN 31 2.064 2.035 -5.024
219 1HB GLN 31 2HB GLN 31 -0.421 1.846 -6.004
220 2HB GLN 31 1HB GLN 31 -0.561 3.407 -5.210
221 1HG GLN 31 2HG GLN 31 1.817 3.620 -6.565
222 2HG GLN 31 1HG GLN 31 0.816 2.665 -7.659
223 1HE2 GLN 31 1HE2 GLN 31 1.806 5.394 -7.930
224 2HE2 GLN 31 2HE2 GLN 31 0.411 6.391 -8.141
225 H THR 32 H THR 32 2.728 4.195 -4.623
226 HA THR 32 HA THR 32 2.521 4.996 -1.878
227 HB THR 32 HB THR 32 4.525 5.261 -3.519
228 HG1 THR 32 1HG THR 32 4.366 6.095 -1.336
229 1HG2 THR 32 1HG2 THR 32 3.348 6.571 -5.227
230 2HG2 THR 32 2HG2 THR 32 4.741 7.421 -4.559
231 3HG2 THR 32 3HG2 THR 32 3.110 7.863 -4.049
232 H PHE 33 H PHE 33 1.633 6.854 -1.012
233 HA PHE 33 HA PHE 33 -0.796 7.752 -2.250
234 1HB PHE 33 2HB PHE 33 0.616 8.273 0.336
235 2HB PHE 33 1HB PHE 33 -0.606 9.425 -0.193
236 HD1 PHE 33 1HD PHE 33 0.022 6.034 0.982
237 HD2 PHE 33 2HD PHE 33 -2.942 8.794 -0.318
238 HE1 PHE 33 1HE PHE 33 -1.733 4.560 1.869
239 HE2 PHE 33 2HE PHE 33 -4.704 7.326 0.570
240 HZ PHE 33 HZ PHE 33 -4.100 5.205 1.666
241 H ALA 34 H ALA 34 -1.118 9.558 -3.450
242 HA ALA 34 HA ALA 34 1.123 11.104 -4.322
243 1HB ALA 34 1HB ALA 34 -0.542 10.791 -5.944
244 2HB ALA 34 2HB ALA 34 -0.714 12.477 -5.459
245 3HB ALA 34 3HB ALA 34 -1.832 11.262 -4.838
246 H TYR 35 H TYR 35 1.300 13.453 -4.122
247 HA TYR 35 HA TYR 35 1.050 14.317 -1.433
248 1HB TYR 35 2HB TYR 35 2.631 15.084 -3.451
249 2HB TYR 35 1HB TYR 35 1.407 16.341 -3.584
250 HD1 TYR 35 1HD TYR 35 4.275 15.160 -1.765
251 HD2 TYR 35 2HD TYR 35 0.939 17.793 -1.572
252 HE1 TYR 35 1HE TYR 35 5.358 16.388 0.070
253 HE2 TYR 35 2HE TYR 35 2.014 19.029 0.262
254 HH TYR 35 HH TYR 35 5.296 18.550 1.128
255 H GLY 36 H GLY 36 -1.358 13.718 -1.546
256 1HA GLY 36 2HA GLY 36 -2.926 15.902 -1.079
257 2HA GLY 36 1HA GLY 36 -3.138 15.461 -2.756
258 H ALA 37 H ALA 37 -2.715 12.607 -2.223
259 HA ALA 37 HA ALA 37 -5.397 11.847 -1.878
260 1HB ALA 37 1HB ALA 37 -2.880 10.198 -1.749
261 2HB ALA 37 2HB ALA 37 -3.898 10.479 -3.161
262 3HB ALA 37 3HB ALA 37 -4.514 9.533 -1.805
263 H CYS 38 H CYS 38 -6.585 11.372 -0.161
264 HA CYS 38 HA CYS 38 -5.456 11.703 2.480
265 1HB CYS 38 2HB CYS 38 -8.299 10.959 1.792
266 2HB CYS 38 1HB CYS 38 -7.710 11.720 3.266
267 H ALA 39 H ALA 39 -5.532 10.159 4.149
268 HA ALA 39 HA ALA 39 -4.950 7.500 3.339
269 1HB ALA 39 1HB ALA 39 -5.204 7.212 5.976
270 2HB ALA 39 2HB ALA 39 -5.066 8.969 5.903
271 3HB ALA 39 3HB ALA 39 -3.789 7.954 5.230
272 H ALA 40 H ALA 40 -5.997 5.569 4.287
273 HA ALA 40 HA ALA 40 -8.928 5.869 4.250
274 1HB ALA 40 1HB ALA 40 -8.001 4.610 2.346
275 2HB ALA 40 2HB ALA 40 -9.061 3.626 3.354
276 3HB ALA 40 3HB ALA 40 -7.311 3.445 3.475
277 H LYS 41 H LYS 41 -10.081 4.057 5.434
278 HA LYS 41 HA LYS 41 -9.349 4.126 8.149
279 1HB LYS 41 2HB LYS 41 -11.619 3.434 6.716
280 2HB LYS 41 1HB LYS 41 -11.138 1.923 7.477
281 1HG LYS 41 2HG LYS 41 -11.107 3.064 9.659
282 2HG LYS 41 1HG LYS 41 -11.671 4.539 8.870
283 1HD LYS 41 2HD LYS 41 -13.638 3.169 8.039
284 2HD LYS 41 1HD LYS 41 -13.115 1.915 9.164
285 1HE LYS 41 2HE LYS 41 -14.848 3.292 10.166
286 2HE LYS 41 1HE LYS 41 -13.319 3.504 11.018
287 1HZ LYS 41 1HZ LYS 41 -13.746 5.376 8.864
288 2HZ LYS 41 2HZ LYS 41 -13.218 5.650 10.448
289 3HZ LYS 41 3HZ LYS 41 -14.871 5.510 10.121
290 H ARG 42 H ARG 42 -9.817 1.090 6.343
291 HA ARG 42 HA ARG 42 -7.882 -0.209 8.048
292 1HB ARG 42 2HB ARG 42 -9.580 -1.313 5.807
293 2HB ARG 42 1HB ARG 42 -8.572 -2.270 6.883
294 1HG ARG 42 2HG ARG 42 -10.730 -0.490 7.953
295 2HG ARG 42 1HG ARG 42 -11.076 -2.123 7.382
296 1HD ARG 42 2HD ARG 42 -9.960 -3.112 9.105
297 2HD ARG 42 1HD ARG 42 -8.811 -1.784 9.264
298 HE ARG 42 HE ARG 42 -10.163 -0.903 10.866
299 1HH1 ARG 42 1HH1 ARG 42 -12.095 -3.000 8.854
300 2HH1 ARG 42 2HH1 ARG 42 -13.525 -2.810 9.813
301 1HH2 ARG 42 1HH2 ARG 42 -12.041 -0.653 12.129
302 2HH2 ARG 42 2HH2 ARG 42 -13.494 -1.478 11.672
303 H ASN 43 H ASN 43 -8.123 0.871 4.721
304 HA ASN 43 HA ASN 43 -5.842 -0.535 3.770
305 1HB ASN 43 2HB ASN 43 -7.913 0.976 2.675
306 2HB ASN 43 1HB ASN 43 -6.463 1.926 2.359
307 1HD2 ASN 43 1HD2 ASN 43 -7.952 -1.162 2.055
308 2HD2 ASN 43 2HD2 ASN 43 -7.074 -1.701 0.652
309 H ASN 44 H ASN 44 -4.204 1.033 2.593
310 HA ASN 44 HA ASN 44 -2.481 2.528 2.742
311 1HB ASN 44 2HB ASN 44 -4.184 4.156 3.489
312 2HB ASN 44 1HB ASN 44 -3.895 3.666 5.154
313 1HD2 ASN 44 1HD2 ASN 44 -3.573 6.277 4.058
314 2HD2 ASN 44 2HD2 ASN 44 -1.910 6.707 4.237
315 H PHE 45 H PHE 45 -0.602 1.646 3.294
316 HA PHE 45 HA PHE 45 -0.204 0.776 6.081
317 1HB PHE 45 2HB PHE 45 0.811 -0.410 3.492
318 2HB PHE 45 1HB PHE 45 1.497 -0.812 5.064
319 HD1 PHE 45 1HD PHE 45 0.468 -2.398 6.466
320 HD2 PHE 45 2HD PHE 45 -1.610 -0.908 3.062
321 HE1 PHE 45 1HE PHE 45 -1.273 -4.109 6.785
322 HE2 PHE 45 2HE PHE 45 -3.354 -2.617 3.374
323 HZ PHE 45 HZ PHE 45 -3.188 -4.219 5.238
324 H LYS 46 H LYS 46 1.761 1.338 7.057
325 HA LYS 46 HA LYS 46 2.937 3.738 6.188
326 1HB LYS 46 2HB LYS 46 4.447 3.520 8.042
327 2HB LYS 46 1HB LYS 46 2.859 2.970 8.552
328 1HG LYS 46 2HG LYS 46 3.555 0.662 8.335
329 2HG LYS 46 1HG LYS 46 5.129 1.174 7.724
330 1HD LYS 46 2HD LYS 46 4.793 2.559 10.128
331 2HD LYS 46 1HD LYS 46 4.202 0.928 10.451
332 1HE LYS 46 2HE LYS 46 6.261 0.065 10.401
333 2HE LYS 46 1HE LYS 46 6.681 0.938 8.928
334 1HZ LYS 46 1HZ LYS 46 7.386 2.782 10.136
335 2HZ LYS 46 2HZ LYS 46 7.977 1.476 11.034
336 3HZ LYS 46 3HZ LYS 46 6.592 2.299 11.550
337 H SER 47 H SER 47 3.531 0.531 5.222
338 HA SER 47 HA SER 47 5.710 1.421 3.544
339 1HB SER 47 2HB SER 47 6.730 -1.001 4.452
340 2HB SER 47 1HB SER 47 7.334 0.603 4.852
341 HG SER 47 HG SER 47 5.199 -0.477 6.323
342 H ALA 48 H ALA 48 6.022 0.176 1.717
343 HA ALA 48 HA ALA 48 3.787 -1.194 0.734
344 1HB ALA 48 1HB ALA 48 4.908 -0.851 -1.162
345 2HB ALA 48 2HB ALA 48 6.046 -2.114 -0.700
346 3HB ALA 48 3HB ALA 48 6.363 -0.437 -0.255
347 H GLU 49 H GLU 49 6.755 -2.351 2.244
348 HA GLU 49 HA GLU 49 6.348 -5.093 1.818
349 1HB GLU 49 2HB GLU 49 8.251 -3.555 3.122
350 2HB GLU 49 1HB GLU 49 7.489 -4.437 4.438
351 1HG GLU 49 2HG GLU 49 7.857 -6.509 2.928
352 2HG GLU 49 1HG GLU 49 9.030 -5.481 2.107
353 H ASP 50 H ASP 50 5.196 -2.833 4.256
354 HA ASP 50 HA ASP 50 3.872 -4.737 5.886
355 1HB ASP 50 2HB ASP 50 4.313 -1.972 5.946
356 2HB ASP 50 1HB ASP 50 2.564 -2.156 5.896
357 H CYS 51 H CYS 51 2.801 -2.727 3.140
358 HA CYS 51 HA CYS 51 0.076 -3.462 3.230
359 1HB CYS 51 2HB CYS 51 0.624 -1.584 1.897
360 2HB CYS 51 1HB CYS 51 1.913 -2.446 1.056
361 H LEU 52 H LEU 52 2.677 -4.655 1.112
362 HA LEU 52 HA LEU 52 1.314 -6.713 -0.125
363 1HB LEU 52 2HB LEU 52 4.224 -6.415 0.592
364 2HB LEU 52 1HB LEU 52 3.622 -7.754 -0.366
365 HG LEU 52 HG LEU 52 3.561 -4.829 -1.095
366 1HD1 LEU 52 1HD1 LEU 52 5.152 -5.327 -2.710
367 2HD1 LEU 52 2HD1 LEU 52 4.817 -7.058 -2.648
368 3HD1 LEU 52 3HD1 LEU 52 5.680 -6.278 -1.321
369 1HD2 LEU 52 1HD2 LEU 52 2.315 -7.204 -2.466
370 2HD2 LEU 52 2HD2 LEU 52 2.601 -5.654 -3.256
371 3HD2 LEU 52 3HD2 LEU 52 1.507 -5.751 -1.876
372 H ARG 53 H ARG 53 3.170 -6.835 2.922
373 HA ARG 53 HA ARG 53 2.952 -9.590 3.346
374 1HB ARG 53 2HB ARG 53 4.192 -7.594 4.672
375 2HB ARG 53 1HB ARG 53 2.827 -7.858 5.747
376 1HG ARG 53 2HG ARG 53 4.614 -10.084 4.814
377 2HG ARG 53 1HG ARG 53 4.946 -9.130 6.260
378 1HD ARG 53 2HD ARG 53 2.207 -10.080 6.193
379 2HD ARG 53 1HD ARG 53 3.365 -11.404 6.091
380 HE ARG 53 HE ARG 53 4.146 -10.874 8.223
381 1HH1 ARG 53 1HH1 ARG 53 1.677 -8.620 7.198
382 2HH1 ARG 53 2HH1 ARG 53 1.414 -8.000 8.792
383 1HH2 ARG 53 1HH2 ARG 53 3.799 -10.051 10.312
384 2HH2 ARG 53 2HH2 ARG 53 2.617 -8.808 10.558
385 H THR 54 H THR 54 0.868 -6.964 4.552
386 HA THR 54 HA THR 54 -0.997 -8.802 5.729
387 HB THR 54 HB THR 54 -1.358 -5.849 5.194
388 HG1 THR 54 1HG THR 54 -0.284 -7.151 7.474
389 1HG2 THR 54 1HG2 THR 54 -2.524 -6.629 7.623
390 2HG2 THR 54 2HG2 THR 54 -3.054 -7.796 6.411
391 3HG2 THR 54 3HG2 THR 54 -3.331 -6.074 6.157
392 H CYS 55 H CYS 55 -1.390 -6.379 3.135
393 HA CYS 55 HA CYS 55 -3.840 -7.523 2.279
394 1HB CYS 55 2HB CYS 55 -2.233 -5.175 1.614
395 2HB CYS 55 1HB CYS 55 -3.029 -5.882 0.214
396 H GLY 56 H GLY 56 -0.534 -7.625 1.002
397 1HA GLY 56 2HA GLY 56 -1.237 -9.003 -1.387
398 2HA GLY 56 1HA GLY 56 0.379 -8.880 -0.710
399 H GLY 57 H GLY 57 1.146 -10.517 0.649
400 1HA GLY 57 2HA GLY 57 0.225 -13.114 0.121
401 2HA GLY 57 1HA GLY 57 1.357 -12.679 1.393
402 H ALA 58 H ALA 58 -1.984 -13.284 0.599
403 HA ALA 58 HA ALA 58 -2.986 -12.724 3.227
404 1HB ALA 58 1HB ALA 58 -4.821 -12.591 1.965
405 2HB ALA 58 2HB ALA 58 -4.855 -14.354 2.009
406 3HB ALA 58 3HB ALA 58 -4.086 -13.520 0.659
Start of MODEL 8
1 1H ARG 1 1HT ARG 1 -7.613 -13.414 -0.639
2 2H ARG 1 2HT ARG 1 -7.600 -13.023 -2.311
3 3H ARG 1 3HT ARG 1 -9.012 -12.750 -1.374
4 HA ARG 1 HA ARG 1 -6.454 -11.461 -0.764
5 1HB ARG 1 2HB ARG 1 -7.416 -9.505 -2.033
6 2HB ARG 1 1HB ARG 1 -6.897 -10.857 -3.029
7 1HG ARG 1 2HG ARG 1 -8.932 -11.137 -3.870
8 2HG ARG 1 1HG ARG 1 -9.677 -11.101 -2.272
9 1HD ARG 1 2HD ARG 1 -9.683 -8.679 -2.292
10 2HD ARG 1 1HD ARG 1 -8.832 -8.664 -3.837
11 HE ARG 1 HE ARG 1 -11.638 -9.093 -3.407
12 1HH1 ARG 1 1HH1 ARG 1 -8.959 -9.678 -5.566
13 2HH1 ARG 1 2HH1 ARG 1 -9.966 -9.880 -6.961
14 1HH2 ARG 1 1HH2 ARG 1 -12.962 -9.359 -5.240
15 2HH2 ARG 1 2HH2 ARG 1 -12.237 -9.697 -6.776
16 HA PRO 2 HA PRO 2 -8.764 -10.378 2.878
17 1HB PRO 2 2HB PRO 2 -7.100 -7.930 2.853
18 2HB PRO 2 1HB PRO 2 -7.304 -9.145 4.123
19 1HG PRO 2 2HG PRO 2 -5.060 -8.975 2.617
20 2HG PRO 2 1HG PRO 2 -5.672 -10.505 3.271
21 1HD PRO 2 2HD PRO 2 -5.737 -9.478 0.494
22 2HD PRO 2 1HD PRO 2 -5.697 -11.149 1.083
23 H ASP 3 H ASP 3 -10.657 -9.371 3.081
24 HA ASP 3 HA ASP 3 -11.947 -8.014 1.096
25 1HB ASP 3 2HB ASP 3 -12.364 -8.332 4.000
26 2HB ASP 3 1HB ASP 3 -13.217 -6.981 3.257
27 H PHE 4 H PHE 4 -10.363 -6.415 3.886
28 HA PHE 4 HA PHE 4 -11.026 -3.820 3.238
29 1HB PHE 4 2HB PHE 4 -8.755 -3.218 4.324
30 2HB PHE 4 1HB PHE 4 -10.006 -3.977 5.305
31 HD1 PHE 4 1HD PHE 4 -9.814 -6.478 5.728
32 HD2 PHE 4 2HD PHE 4 -6.645 -4.129 4.134
33 HE1 PHE 4 1HE PHE 4 -8.198 -8.200 6.407
34 HE2 PHE 4 2HE PHE 4 -5.026 -5.852 4.809
35 HZ PHE 4 HZ PHE 4 -5.802 -7.889 5.946
36 H CYS 5 H CYS 5 -8.828 -5.882 1.598
37 HA CYS 5 HA CYS 5 -7.117 -4.057 0.359
38 1HB CYS 5 2HB CYS 5 -8.234 -6.637 -0.741
39 2HB CYS 5 1HB CYS 5 -6.866 -5.757 -1.398
40 H LEU 6 H LEU 6 -10.449 -4.645 -0.031
41 HA LEU 6 HA LEU 6 -10.649 -3.556 -2.697
42 1HB LEU 6 2HB LEU 6 -12.884 -4.033 -0.730
43 2HB LEU 6 1HB LEU 6 -13.013 -3.883 -2.472
44 HG LEU 6 HG LEU 6 -11.703 -6.172 -0.988
45 1HD1 LEU 6 1HD1 LEU 6 -14.227 -6.149 -2.631
46 2HD1 LEU 6 2HD1 LEU 6 -14.190 -6.055 -0.871
47 3HD1 LEU 6 3HD1 LEU 6 -13.567 -7.487 -1.690
48 1HD2 LEU 6 1HD2 LEU 6 -10.835 -5.404 -3.333
49 2HD2 LEU 6 2HD2 LEU 6 -12.315 -6.171 -3.910
50 3HD2 LEU 6 3HD2 LEU 6 -11.127 -7.113 -3.008
51 H GLU 7 H GLU 7 -10.533 -2.297 0.486
52 HA GLU 7 HA GLU 7 -12.071 0.066 0.015
53 1HB GLU 7 2HB GLU 7 -11.543 -1.027 2.274
54 2HB GLU 7 1HB GLU 7 -9.972 -0.242 2.148
55 1HG GLU 7 2HG GLU 7 -11.276 1.190 3.454
56 2HG GLU 7 1HG GLU 7 -11.238 1.930 1.855
57 HA PRO 8 HA PRO 8 -8.570 2.106 -1.946
58 1HB PRO 8 2HB PRO 8 -10.092 3.721 -3.532
59 2HB PRO 8 1HB PRO 8 -9.714 2.044 -3.925
60 1HG PRO 8 2HG PRO 8 -12.266 3.208 -3.190
61 2HG PRO 8 1HG PRO 8 -11.919 1.574 -3.778
62 1HD PRO 8 2HD PRO 8 -12.348 2.513 -1.031
63 2HD PRO 8 1HD PRO 8 -12.388 0.859 -1.677
64 HA PRO 9 HA PRO 9 -8.402 5.894 0.371
65 1HB PRO 9 2HB PRO 9 -6.602 7.311 -1.042
66 2HB PRO 9 1HB PRO 9 -6.141 5.850 -0.159
67 1HG PRO 9 2HG PRO 9 -6.771 6.181 -3.073
68 2HG PRO 9 1HG PRO 9 -5.413 5.327 -2.320
69 1HD PRO 9 2HD PRO 9 -7.625 4.046 -3.214
70 2HD PRO 9 1HD PRO 9 -6.686 3.477 -1.812
71 H TYR 10 H TYR 10 -7.998 8.457 -0.510
72 HA TYR 10 HA TYR 10 -9.931 9.071 -2.581
73 1HB TYR 10 2HB TYR 10 -11.332 10.448 -1.186
74 2HB TYR 10 1HB TYR 10 -11.242 8.840 -0.478
75 HD1 TYR 10 1HD TYR 10 -9.533 8.505 1.434
76 HD2 TYR 10 2HD TYR 10 -10.884 12.322 0.128
77 HE1 TYR 10 1HE TYR 10 -8.853 9.475 3.590
78 HE2 TYR 10 2HE TYR 10 -10.206 13.306 2.279
79 HH TYR 10 HH TYR 10 -8.466 11.430 4.699
80 H ALA 11 H ALA 11 -9.672 11.088 -3.485
81 HA ALA 11 HA ALA 11 -7.286 12.571 -2.600
82 1HB ALA 11 1HB ALA 11 -8.499 12.217 -5.331
83 2HB ALA 11 2HB ALA 11 -6.908 11.703 -4.771
84 3HB ALA 11 3HB ALA 11 -7.259 13.420 -4.978
85 H GLY 12 H GLY 12 -7.746 14.395 -1.571
86 1HA GLY 12 2HA GLY 12 -8.867 16.651 -2.383
87 2HA GLY 12 1HA GLY 12 -10.317 15.721 -2.027
88 H ALA 13 H ALA 13 -8.916 18.165 -0.797
89 HA ALA 13 HA ALA 13 -8.715 19.081 1.278
90 1HB ALA 13 1HB ALA 13 -10.928 17.502 1.408
91 2HB ALA 13 2HB ALA 13 -10.381 18.571 2.700
92 3HB ALA 13 3HB ALA 13 -9.962 16.858 2.736
93 H CYS 14 H CYS 14 -6.527 17.727 0.366
94 HA CYS 14 HA CYS 14 -5.174 17.073 2.813
95 1HB CYS 14 2HB CYS 14 -6.436 14.962 1.662
96 2HB CYS 14 1HB CYS 14 -4.885 14.895 0.847
97 H ARG 15 H ARG 15 -2.830 16.262 2.150
98 HA ARG 15 HA ARG 15 -1.938 17.481 -0.351
99 1HB ARG 15 2HB ARG 15 -0.936 18.376 2.357
100 2HB ARG 15 1HB ARG 15 -0.214 18.830 0.823
101 1HG ARG 15 2HG ARG 15 -1.518 20.624 0.922
102 2HG ARG 15 1HG ARG 15 -2.837 19.543 0.477
103 1HD ARG 15 2HD ARG 15 -2.587 19.203 3.216
104 2HD ARG 15 1HD ARG 15 -2.325 20.930 2.979
105 HE ARG 15 HE ARG 15 -4.781 19.463 2.572
106 1HH1 ARG 15 1HH1 ARG 15 -3.012 22.398 1.898
107 2HH1 ARG 15 2HH1 ARG 15 -4.436 23.326 1.571
108 1HH2 ARG 15 1HH2 ARG 15 -6.651 20.685 2.140
109 2HH2 ARG 15 2HH2 ARG 15 -6.501 22.355 1.708
110 H ALA 16 H ALA 16 0.730 17.465 -0.061
111 HA ALA 16 HA ALA 16 1.368 14.698 -0.221
112 1HB ALA 16 1HB ALA 16 3.298 15.371 -1.181
113 2HB ALA 16 2HB ALA 16 3.579 16.638 0.013
114 3HB ALA 16 3HB ALA 16 2.442 16.908 -1.308
115 H ALA 17 H ALA 17 1.745 13.392 1.396
116 HA ALA 17 HA ALA 17 3.502 14.055 3.499
117 1HB ALA 17 1HB ALA 17 0.605 13.577 4.155
118 2HB ALA 17 2HB ALA 17 1.526 15.052 4.450
119 3HB ALA 17 3HB ALA 17 1.912 13.579 5.339
120 H ALA 18 H ALA 18 4.148 12.265 1.841
121 HA ALA 18 HA ALA 18 3.039 9.689 2.068
122 1HB ALA 18 1HB ALA 18 4.856 8.930 0.800
123 2HB ALA 18 2HB ALA 18 5.921 10.201 1.400
124 3HB ALA 18 3HB ALA 18 4.621 10.598 0.277
125 H ALA 19 H ALA 19 3.420 8.011 3.394
126 HA ALA 19 HA ALA 19 5.670 7.869 5.151
127 1HB ALA 19 1HB ALA 19 3.959 9.543 6.185
128 2HB ALA 19 2HB ALA 19 4.732 8.330 7.204
129 3HB ALA 19 3HB ALA 19 3.085 8.077 6.628
130 H ARG 20 H ARG 20 2.406 6.750 4.388
131 HA ARG 20 HA ARG 20 3.285 4.001 4.991
132 1HB ARG 20 2HB ARG 20 0.401 4.833 5.088
133 2HB ARG 20 1HB ARG 20 1.179 3.436 5.830
134 1HG ARG 20 2HG ARG 20 2.383 5.735 6.938
135 2HG ARG 20 1HG ARG 20 0.640 6.003 6.948
136 1HD ARG 20 2HD ARG 20 0.536 4.737 8.774
137 2HD ARG 20 1HD ARG 20 0.991 3.359 7.776
138 HE ARG 20 HE ARG 20 3.173 3.526 8.557
139 1HH1 ARG 20 1HH1 ARG 20 1.215 6.132 9.816
140 2HH1 ARG 20 2HH1 ARG 20 2.363 6.565 11.037
141 1HH2 ARG 20 1HH2 ARG 20 4.680 4.101 10.159
142 2HH2 ARG 20 2HH2 ARG 20 4.329 5.416 11.230
143 H TYR 21 H TYR 21 1.502 2.465 3.897
144 HA TYR 21 HA TYR 21 1.155 3.332 1.100
145 1HB TYR 21 2HB TYR 21 2.213 0.645 2.004
146 2HB TYR 21 1HB TYR 21 1.865 1.103 0.341
147 HD1 TYR 21 1HD TYR 21 3.557 1.983 -0.976
148 HD2 TYR 21 2HD TYR 21 3.961 2.123 3.257
149 HE1 TYR 21 1HE TYR 21 5.856 2.815 -1.230
150 HE2 TYR 21 2HE TYR 21 6.262 2.957 3.015
151 HH TYR 21 HH TYR 21 7.476 4.231 0.253
152 H PHE 22 H PHE 22 -0.325 1.840 -0.116
153 HA PHE 22 HA PHE 22 -2.269 0.444 1.568
154 1HB PHE 22 2HB PHE 22 -4.156 1.550 0.371
155 2HB PHE 22 1HB PHE 22 -3.267 2.611 1.444
156 HD1 PHE 22 1HD PHE 22 -1.675 4.275 0.483
157 HD2 PHE 22 2HD PHE 22 -4.296 1.966 -1.945
158 HE1 PHE 22 1HE PHE 22 -1.332 5.848 -1.375
159 HE2 PHE 22 2HE PHE 22 -3.959 3.536 -3.809
160 HZ PHE 22 HZ PHE 22 -2.474 5.480 -3.524
161 H TYR 23 H TYR 23 -3.580 -1.023 0.436
162 HA TYR 23 HA TYR 23 -2.257 -2.081 -1.936
163 1HB TYR 23 2HB TYR 23 -2.892 -3.614 -0.122
164 2HB TYR 23 1HB TYR 23 -4.593 -3.198 -0.366
165 HD1 TYR 23 1HD TYR 23 -1.652 -4.829 -1.894
166 HD2 TYR 23 2HD TYR 23 -5.854 -4.207 -2.113
167 HE1 TYR 23 1HE TYR 23 -1.819 -6.602 -3.588
168 HE2 TYR 23 2HE TYR 23 -6.035 -5.984 -3.805
169 HH TYR 23 HH TYR 23 -3.191 -7.840 -4.844
170 H ASN 24 H ASN 24 -3.178 -2.329 -3.936
171 HA ASN 24 HA ASN 24 -5.683 -0.840 -4.411
172 1HB ASN 24 2HB ASN 24 -3.662 0.214 -5.384
173 2HB ASN 24 1HB ASN 24 -3.358 -1.260 -6.306
174 1HD2 ASN 24 1HD2 ASN 24 -3.770 1.379 -7.313
175 2HD2 ASN 24 2HD2 ASN 24 -5.174 1.314 -8.327
176 H ALA 25 H ALA 25 -7.220 -2.400 -4.483
177 HA ALA 25 HA ALA 25 -6.910 -5.033 -5.318
178 1HB ALA 25 1HB ALA 25 -9.515 -3.621 -5.698
179 2HB ALA 25 2HB ALA 25 -8.862 -3.849 -4.077
180 3HB ALA 25 3HB ALA 25 -9.197 -5.247 -5.098
181 H LYS 26 H LYS 26 -7.377 -2.152 -7.216
182 HA LYS 26 HA LYS 26 -8.093 -3.627 -9.609
183 1HB LYS 26 2HB LYS 26 -8.535 -1.034 -8.710
184 2HB LYS 26 1HB LYS 26 -7.382 -0.840 -10.023
185 1HG LYS 26 2HG LYS 26 -9.990 -2.330 -10.226
186 2HG LYS 26 1HG LYS 26 -9.724 -0.668 -10.757
187 1HD LYS 26 2HD LYS 26 -7.874 -1.579 -12.228
188 2HD LYS 26 1HD LYS 26 -8.492 -3.187 -11.849
189 1HE LYS 26 2HE LYS 26 -10.657 -1.481 -12.635
190 2HE LYS 26 1HE LYS 26 -9.380 -1.417 -13.849
191 1HZ LYS 26 1HZ LYS 26 -11.226 -3.268 -13.888
192 2HZ LYS 26 2HZ LYS 26 -10.161 -4.045 -12.829
193 3HZ LYS 26 3HZ LYS 26 -9.640 -3.597 -14.375
194 H ALA 27 H ALA 27 -5.185 -2.706 -8.086
195 HA ALA 27 HA ALA 27 -3.732 -2.956 -10.641
196 1HB ALA 27 1HB ALA 27 -3.100 -0.876 -9.933
197 2HB ALA 27 2HB ALA 27 -1.850 -1.860 -9.173
198 3HB ALA 27 3HB ALA 27 -3.224 -1.296 -8.226
199 H GLY 28 H GLY 28 -4.340 -4.453 -7.659
200 1HA GLY 28 2HA GLY 28 -3.638 -6.472 -6.866
201 2HA GLY 28 1HA GLY 28 -2.622 -6.588 -8.278
202 H LEU 29 H LEU 29 -1.715 -3.742 -7.116
203 HA LEU 29 HA LEU 29 0.200 -4.861 -5.187
204 1HB LEU 29 2HB LEU 29 0.690 -3.177 -7.604
205 2HB LEU 29 1HB LEU 29 1.733 -2.977 -6.209
206 HG LEU 29 HG LEU 29 1.785 -5.682 -6.503
207 1HD1 LEU 29 1HD1 LEU 29 0.503 -4.963 -8.775
208 2HD1 LEU 29 2HD1 LEU 29 1.515 -6.399 -8.614
209 3HD1 LEU 29 3HD1 LEU 29 2.183 -4.923 -9.311
210 1HD2 LEU 29 1HD2 LEU 29 3.562 -3.584 -7.734
211 2HD2 LEU 29 2HD2 LEU 29 3.979 -5.296 -7.638
212 3HD2 LEU 29 3HD2 LEU 29 3.744 -4.362 -6.162
213 H CYS 30 H CYS 30 1.417 -2.894 -4.094
214 HA CYS 30 HA CYS 30 -0.704 -1.133 -3.105
215 1HB CYS 30 2HB CYS 30 1.941 -1.292 -1.752
216 2HB CYS 30 1HB CYS 30 0.342 -1.040 -1.069
217 H GLN 31 H GLN 31 0.060 1.040 -2.339
218 HA GLN 31 HA GLN 31 2.229 2.199 -3.864
219 1HB GLN 31 2HB GLN 31 0.321 2.243 -5.435
220 2HB GLN 31 1HB GLN 31 -0.601 3.172 -4.262
221 1HG GLN 31 2HG GLN 31 0.169 4.975 -5.296
222 2HG GLN 31 1HG GLN 31 1.716 4.627 -4.523
223 1HE2 GLN 31 1HE2 GLN 31 3.407 3.946 -5.745
224 2HE2 GLN 31 2HE2 GLN 31 3.356 3.785 -7.464
225 H THR 32 H THR 32 2.975 4.134 -3.043
226 HA THR 32 HA THR 32 2.154 4.732 -0.345
227 HB THR 32 HB THR 32 4.561 4.851 -1.602
228 HG1 THR 32 1HG THR 32 3.945 4.986 0.711
229 1HG2 THR 32 1HG2 THR 32 4.084 6.849 -2.879
230 2HG2 THR 32 2HG2 THR 32 5.293 7.182 -1.639
231 3HG2 THR 32 3HG2 THR 32 3.626 7.705 -1.406
232 H PHE 33 H PHE 33 1.281 6.646 0.405
233 HA PHE 33 HA PHE 33 -0.686 7.844 -1.170
234 1HB PHE 33 2HB PHE 33 0.609 8.825 1.385
235 2HB PHE 33 1HB PHE 33 -0.850 9.515 0.678
236 HD1 PHE 33 1HD PHE 33 -2.952 8.499 0.974
237 HD2 PHE 33 2HD PHE 33 0.583 6.460 2.171
238 HE1 PHE 33 1HE PHE 33 -4.320 6.799 2.109
239 HE2 PHE 33 2HE PHE 33 -0.776 4.758 3.311
240 HZ PHE 33 HZ PHE 33 -3.233 4.924 3.277
241 H ALA 34 H ALA 34 -0.756 9.595 -2.459
242 HA ALA 34 HA ALA 34 1.179 11.696 -2.388
243 1HB ALA 34 1HB ALA 34 1.964 11.307 -4.761
244 2HB ALA 34 2HB ALA 34 1.323 9.672 -4.607
245 3HB ALA 34 3HB ALA 34 2.617 10.215 -3.540
246 H TYR 35 H TYR 35 0.826 13.200 -4.363
247 HA TYR 35 HA TYR 35 -0.622 14.614 -5.422
248 1HB TYR 35 2HB TYR 35 -0.793 12.320 -6.732
249 2HB TYR 35 1HB TYR 35 -2.431 12.325 -6.088
250 HD1 TYR 35 1HD TYR 35 -0.657 13.049 -8.903
251 HD2 TYR 35 2HD TYR 35 -3.490 14.882 -6.312
252 HE1 TYR 35 1HE TYR 35 -1.354 14.538 -10.730
253 HE2 TYR 35 2HE TYR 35 -4.197 16.376 -8.133
254 HH TYR 35 HH TYR 35 -3.438 17.244 -10.205
255 H GLY 36 H GLY 36 -1.058 15.051 -3.014
256 1HA GLY 36 2HA GLY 36 -2.471 15.656 -1.371
257 2HA GLY 36 1HA GLY 36 -3.603 15.881 -2.671
258 H ALA 37 H ALA 37 -2.720 12.626 -2.570
259 HA ALA 37 HA ALA 37 -5.289 11.809 -1.723
260 1HB ALA 37 1HB ALA 37 -4.019 10.419 -3.220
261 2HB ALA 37 2HB ALA 37 -4.329 9.521 -1.734
262 3HB ALA 37 3HB ALA 37 -2.738 10.229 -2.021
263 H CYS 38 H CYS 38 -6.101 11.513 0.235
264 HA CYS 38 HA CYS 38 -4.411 11.885 2.558
265 1HB CYS 38 2HB CYS 38 -7.145 12.366 1.937
266 2HB CYS 38 1HB CYS 38 -7.102 11.214 3.265
267 H ALA 39 H ALA 39 -5.049 10.480 4.526
268 HA ALA 39 HA ALA 39 -4.237 7.815 3.943
269 1HB ALA 39 1HB ALA 39 -5.213 8.018 6.607
270 2HB ALA 39 2HB ALA 39 -4.320 9.487 6.215
271 3HB ALA 39 3HB ALA 39 -3.546 7.912 6.044
272 H ALA 40 H ALA 40 -5.413 6.033 3.618
273 HA ALA 40 HA ALA 40 -8.259 6.208 3.411
274 1HB ALA 40 1HB ALA 40 -6.341 3.899 3.157
275 2HB ALA 40 2HB ALA 40 -7.147 4.786 1.863
276 3HB ALA 40 3HB ALA 40 -8.083 3.739 2.931
277 H LYS 41 H LYS 41 -9.704 4.565 4.503
278 HA LYS 41 HA LYS 41 -9.544 4.882 7.291
279 1HB LYS 41 2HB LYS 41 -11.510 4.116 5.525
280 2HB LYS 41 1HB LYS 41 -11.211 2.632 6.418
281 1HG LYS 41 2HG LYS 41 -11.843 3.572 8.445
282 2HG LYS 41 1HG LYS 41 -11.644 5.222 7.849
283 1HD LYS 41 2HD LYS 41 -13.535 4.561 6.187
284 2HD LYS 41 1HD LYS 41 -13.866 3.281 7.355
285 1HE LYS 41 2HE LYS 41 -13.973 5.064 9.123
286 2HE LYS 41 1HE LYS 41 -13.901 6.256 7.824
287 1HZ LYS 41 1HZ LYS 41 -16.081 4.479 8.599
288 2HZ LYS 41 2HZ LYS 41 -15.891 4.772 6.944
289 3HZ LYS 41 3HZ LYS 41 -16.134 6.063 8.009
290 H ARG 42 H ARG 42 -9.811 1.641 5.856
291 HA ARG 42 HA ARG 42 -8.023 0.652 7.921
292 1HB ARG 42 2HB ARG 42 -8.785 -1.604 7.135
293 2HB ARG 42 1HB ARG 42 -10.055 -0.566 7.764
294 1HG ARG 42 2HG ARG 42 -9.914 -0.093 4.985
295 2HG ARG 42 1HG ARG 42 -9.866 -1.839 5.225
296 1HD ARG 42 2HD ARG 42 -11.816 -0.984 6.992
297 2HD ARG 42 1HD ARG 42 -12.069 0.024 5.568
298 HE ARG 42 HE ARG 42 -11.781 -2.557 4.639
299 1HH1 ARG 42 1HH1 ARG 42 -13.954 -0.856 6.774
300 2HH1 ARG 42 2HH1 ARG 42 -15.306 -1.878 6.418
301 1HH2 ARG 42 1HH2 ARG 42 -13.557 -3.905 4.168
302 2HH2 ARG 42 2HH2 ARG 42 -15.080 -3.611 4.938
303 H ASN 43 H ASN 43 -8.066 1.193 4.494
304 HA ASN 43 HA ASN 43 -5.972 -0.608 3.835
305 1HB ASN 43 2HB ASN 43 -7.823 0.928 2.444
306 2HB ASN 43 1HB ASN 43 -6.281 1.687 2.053
307 1HD2 ASN 43 1HD2 ASN 43 -7.648 -1.481 2.503
308 2HD2 ASN 43 2HD2 ASN 43 -6.924 -2.225 1.107
309 H ASN 44 H ASN 44 -4.449 -0.002 5.540
310 HA ASN 44 HA ASN 44 -2.579 2.004 4.610
311 1HB ASN 44 2HB ASN 44 -3.785 2.221 7.372
312 2HB ASN 44 1HB ASN 44 -2.482 3.212 6.729
313 1HD2 ASN 44 1HD2 ASN 44 -3.015 5.075 5.857
314 2HD2 ASN 44 2HD2 ASN 44 -4.593 5.526 5.316
315 H PHE 45 H PHE 45 -0.830 0.671 4.496
316 HA PHE 45 HA PHE 45 -0.256 -1.050 6.807
317 1HB PHE 45 2HB PHE 45 0.732 -1.110 3.946
318 2HB PHE 45 1HB PHE 45 1.400 -2.124 5.228
319 HD1 PHE 45 1HD PHE 45 -1.282 -1.681 2.868
320 HD2 PHE 45 2HD PHE 45 -0.090 -3.772 6.378
321 HE1 PHE 45 1HE PHE 45 -3.074 -3.325 2.493
322 HE2 PHE 45 2HE PHE 45 -1.879 -5.420 6.007
323 HZ PHE 45 HZ PHE 45 -3.370 -5.198 4.062
324 H LYS 46 H LYS 46 1.638 -0.823 7.950
325 HA LYS 46 HA LYS 46 2.808 1.713 8.068
326 1HB LYS 46 2HB LYS 46 2.815 -0.516 9.666
327 2HB LYS 46 1HB LYS 46 4.485 -0.448 9.119
328 1HG LYS 46 2HG LYS 46 4.537 1.942 9.870
329 2HG LYS 46 1HG LYS 46 2.953 1.674 10.599
330 1HD LYS 46 2HD LYS 46 4.651 -0.445 11.422
331 2HD LYS 46 1HD LYS 46 5.530 1.067 11.653
332 1HE LYS 46 2HE LYS 46 2.748 0.500 12.670
333 2HE LYS 46 1HE LYS 46 4.219 0.409 13.637
334 1HZ LYS 46 1HZ LYS 46 3.915 2.548 14.078
335 2HZ LYS 46 2HZ LYS 46 2.664 2.685 12.949
336 3HZ LYS 46 3HZ LYS 46 4.270 2.896 12.460
337 H SER 47 H SER 47 3.444 -0.837 5.913
338 HA SER 47 HA SER 47 5.482 0.665 4.599
339 1HB SER 47 2HB SER 47 6.906 -1.705 4.891
340 2HB SER 47 1HB SER 47 7.260 -0.176 5.692
341 HG SER 47 HG SER 47 5.667 -2.297 6.692
342 H ALA 48 H ALA 48 6.082 -0.238 2.546
343 HA ALA 48 HA ALA 48 3.988 -1.558 1.226
344 1HB ALA 48 1HB ALA 48 6.248 -2.082 -0.309
345 2HB ALA 48 2HB ALA 48 6.645 -0.587 0.539
346 3HB ALA 48 3HB ALA 48 5.191 -0.679 -0.453
347 H GLU 49 H GLU 49 6.942 -2.724 2.737
348 HA GLU 49 HA GLU 49 6.780 -5.400 1.881
349 1HB GLU 49 2HB GLU 49 8.070 -3.988 4.186
350 2HB GLU 49 1HB GLU 49 7.951 -5.741 4.238
351 1HG GLU 49 2HG GLU 49 9.096 -5.809 2.024
352 2HG GLU 49 1HG GLU 49 9.350 -4.070 2.167
353 H ASP 50 H ASP 50 5.299 -3.555 4.468
354 HA ASP 50 HA ASP 50 4.073 -5.739 5.804
355 1HB ASP 50 2HB ASP 50 3.990 -2.814 5.956
356 2HB ASP 50 1HB ASP 50 2.447 -3.576 6.333
357 H CYS 51 H CYS 51 2.842 -3.394 3.372
358 HA CYS 51 HA CYS 51 0.245 -4.493 3.212
359 1HB CYS 51 2HB CYS 51 0.667 -2.303 2.316
360 2HB CYS 51 1HB CYS 51 1.909 -2.925 1.231
361 H LEU 52 H LEU 52 3.038 -4.956 1.044
362 HA LEU 52 HA LEU 52 1.942 -6.817 -0.658
363 1HB LEU 52 2HB LEU 52 4.770 -6.494 0.327
364 2HB LEU 52 1HB LEU 52 4.332 -7.667 -0.900
365 HG LEU 52 HG LEU 52 3.877 -4.696 -1.158
366 1HD1 LEU 52 1HD1 LEU 52 5.916 -6.197 -2.727
367 2HD1 LEU 52 2HD1 LEU 52 6.308 -5.665 -1.091
368 3HD1 LEU 52 3HD1 LEU 52 5.845 -4.483 -2.315
369 1HD2 LEU 52 1HD2 LEU 52 3.209 -7.058 -2.797
370 2HD2 LEU 52 2HD2 LEU 52 3.869 -5.668 -3.660
371 3HD2 LEU 52 3HD2 LEU 52 2.412 -5.489 -2.684
372 H ARG 53 H ARG 53 3.795 -7.484 2.323
373 HA ARG 53 HA ARG 53 3.564 -10.264 2.252
374 1HB ARG 53 2HB ARG 53 3.963 -8.284 4.470
375 2HB ARG 53 1HB ARG 53 3.735 -9.986 4.842
376 1HG ARG 53 2HG ARG 53 5.679 -9.796 2.784
377 2HG ARG 53 1HG ARG 53 6.103 -8.643 4.052
378 1HD ARG 53 2HD ARG 53 5.253 -11.176 5.159
379 2HD ARG 53 1HD ARG 53 6.598 -11.383 4.041
380 HE ARG 53 HE ARG 53 7.605 -9.467 5.468
381 1HH1 ARG 53 1HH1 ARG 53 5.652 -12.114 6.657
382 2HH1 ARG 53 2HH1 ARG 53 6.379 -12.101 8.226
383 1HH2 ARG 53 1HH2 ARG 53 8.558 -9.463 7.531
384 2HH2 ARG 53 2HH2 ARG 53 8.025 -10.601 8.722
385 H THR 54 H THR 54 1.350 -7.801 3.427
386 HA THR 54 HA THR 54 -0.446 -9.706 4.617
387 HB THR 54 HB THR 54 -0.954 -6.796 3.987
388 HG1 THR 54 1HG THR 54 -0.209 -6.414 6.074
389 1HG2 THR 54 1HG2 THR 54 -2.940 -7.089 4.904
390 2HG2 THR 54 2HG2 THR 54 -2.162 -7.626 6.394
391 3HG2 THR 54 3HG2 THR 54 -2.598 -8.801 5.153
392 H CYS 55 H CYS 55 -1.129 -7.279 2.075
393 HA CYS 55 HA CYS 55 -3.090 -9.123 0.986
394 1HB CYS 55 2HB CYS 55 -3.662 -6.727 1.515
395 2HB CYS 55 1HB CYS 55 -2.641 -6.265 0.156
396 H GLY 56 H GLY 56 0.014 -7.818 0.193
397 1HA GLY 56 2HA GLY 56 0.088 -7.840 -2.549
398 2HA GLY 56 1HA GLY 56 1.438 -8.346 -1.548
399 H GLY 57 H GLY 57 -1.088 -9.354 -3.652
400 1HA GLY 57 2HA GLY 57 -0.043 -12.114 -3.509
401 2HA GLY 57 1HA GLY 57 -1.777 -11.817 -3.526
402 H ALA 58 H ALA 58 -1.514 -13.293 -5.441
403 HA ALA 58 HA ALA 58 -1.348 -13.694 -7.688
404 1HB ALA 58 1HB ALA 58 -3.085 -11.581 -7.189
405 2HB ALA 58 2HB ALA 58 -3.019 -12.581 -8.640
406 3HB ALA 58 3HB ALA 58 -2.129 -11.060 -8.576
Start of MODEL 9
1 1H ARG 1 1HT ARG 1 -9.345 -12.661 -0.243
2 2H ARG 1 2HT ARG 1 -8.396 -12.804 -1.666
3 3H ARG 1 3HT ARG 1 -9.848 -11.889 -1.688
4 HA ARG 1 HA ARG 1 -7.292 -11.276 -0.396
5 1HB ARG 1 2HB ARG 1 -9.085 -9.615 -2.165
6 2HB ARG 1 1HB ARG 1 -7.407 -9.305 -1.742
7 1HG ARG 1 2HG ARG 1 -6.929 -10.222 -3.714
8 2HG ARG 1 1HG ARG 1 -7.254 -11.765 -2.921
9 1HD ARG 1 2HD ARG 1 -8.531 -11.784 -4.902
10 2HD ARG 1 1HD ARG 1 -9.673 -11.446 -3.603
11 HE ARG 1 HE ARG 1 -10.056 -9.383 -4.518
12 1HH1 ARG 1 1HH1 ARG 1 -7.160 -10.725 -5.928
13 2HH1 ARG 1 2HH1 ARG 1 -7.018 -9.485 -7.128
14 1HH2 ARG 1 1HH2 ARG 1 -9.871 -7.750 -6.094
15 2HH2 ARG 1 2HH2 ARG 1 -8.558 -7.795 -7.222
16 HA PRO 2 HA PRO 2 -9.384 -9.477 3.043
17 1HB PRO 2 2HB PRO 2 -7.438 -7.284 3.045
18 2HB PRO 2 1HB PRO 2 -7.724 -8.533 4.262
19 1HG PRO 2 2HG PRO 2 -5.514 -8.482 2.678
20 2HG PRO 2 1HG PRO 2 -6.219 -9.973 3.330
21 1HD PRO 2 2HD PRO 2 -6.360 -8.858 0.576
22 2HD PRO 2 1HD PRO 2 -6.333 -10.547 1.116
23 H ASP 3 H ASP 3 -11.058 -8.141 3.252
24 HA ASP 3 HA ASP 3 -12.170 -6.709 1.211
25 1HB ASP 3 2HB ASP 3 -12.640 -7.022 4.040
26 2HB ASP 3 1HB ASP 3 -13.011 -5.376 3.537
27 H PHE 4 H PHE 4 -10.476 -5.178 3.960
28 HA PHE 4 HA PHE 4 -10.624 -2.566 3.146
29 1HB PHE 4 2HB PHE 4 -8.341 -2.321 4.345
30 2HB PHE 4 1HB PHE 4 -9.741 -2.865 5.272
31 HD1 PHE 4 1HD PHE 4 -6.547 -3.843 3.786
32 HD2 PHE 4 2HD PHE 4 -9.869 -5.103 6.122
33 HE1 PHE 4 1HE PHE 4 -5.298 -5.846 4.474
34 HE2 PHE 4 2HE PHE 4 -8.628 -7.108 6.813
35 HZ PHE 4 HZ PHE 4 -6.339 -7.481 5.989
36 H CYS 5 H CYS 5 -8.636 -5.054 1.765
37 HA CYS 5 HA CYS 5 -6.655 -3.468 0.571
38 1HB CYS 5 2HB CYS 5 -7.837 -6.068 -0.402
39 2HB CYS 5 1HB CYS 5 -6.362 -5.331 -0.997
40 H LEU 6 H LEU 6 -9.960 -4.013 -0.197
41 HA LEU 6 HA LEU 6 -9.774 -2.972 -2.894
42 1HB LEU 6 2HB LEU 6 -12.347 -3.279 -1.391
43 2HB LEU 6 1HB LEU 6 -12.044 -3.457 -3.108
44 HG LEU 6 HG LEU 6 -11.113 -5.407 -0.996
45 1HD1 LEU 6 1HD1 LEU 6 -12.931 -6.740 -2.486
46 2HD1 LEU 6 2HD1 LEU 6 -13.643 -5.127 -2.466
47 3HD1 LEU 6 3HD1 LEU 6 -13.291 -5.953 -0.949
48 1HD2 LEU 6 1HD2 LEU 6 -9.938 -5.085 -3.335
49 2HD2 LEU 6 2HD2 LEU 6 -11.319 -6.025 -3.901
50 3HD2 LEU 6 3HD2 LEU 6 -10.240 -6.694 -2.676
51 H GLU 7 H GLU 7 -9.993 -1.663 0.228
52 HA GLU 7 HA GLU 7 -11.577 0.631 -0.341
53 1HB GLU 7 2HB GLU 7 -10.722 -0.529 1.943
54 2HB GLU 7 1HB GLU 7 -9.570 0.795 1.825
55 1HG GLU 7 2HG GLU 7 -11.078 2.286 2.470
56 2HG GLU 7 1HG GLU 7 -12.272 1.686 1.320
57 HA PRO 8 HA PRO 8 -8.161 2.824 -2.278
58 1HB PRO 8 2HB PRO 8 -9.624 4.382 -3.859
59 2HB PRO 8 1HB PRO 8 -9.518 2.644 -4.165
60 1HG PRO 8 2HG PRO 8 -11.747 4.228 -3.001
61 2HG PRO 8 1HG PRO 8 -11.806 2.760 -3.991
62 1HD PRO 8 2HD PRO 8 -11.991 2.940 -1.157
63 2HD PRO 8 1HD PRO 8 -11.886 1.463 -2.135
64 HA PRO 9 HA PRO 9 -8.134 6.513 0.220
65 1HB PRO 9 2HB PRO 9 -6.157 7.895 -0.937
66 2HB PRO 9 1HB PRO 9 -5.833 6.379 -0.083
67 1HG PRO 9 2HG PRO 9 -6.134 6.862 -3.025
68 2HG PRO 9 1HG PRO 9 -4.914 5.910 -2.170
69 1HD PRO 9 2HD PRO 9 -7.101 4.806 -3.363
70 2HD PRO 9 1HD PRO 9 -6.300 4.092 -1.947
71 H TYR 10 H TYR 10 -8.952 8.585 0.244
72 HA TYR 10 HA TYR 10 -10.392 9.401 -2.137
73 1HB TYR 10 2HB TYR 10 -11.270 11.239 -0.646
74 2HB TYR 10 1HB TYR 10 -11.660 9.604 -0.140
75 HD1 TYR 10 1HD TYR 10 -10.248 12.731 0.831
76 HD2 TYR 10 2HD TYR 10 -10.222 8.572 1.729
77 HE1 TYR 10 1HE TYR 10 -9.376 13.226 3.078
78 HE2 TYR 10 2HE TYR 10 -9.346 9.056 3.975
79 HH TYR 10 HH TYR 10 -9.177 12.278 5.231
80 H ALA 11 H ALA 11 -9.806 10.958 -3.501
81 HA ALA 11 HA ALA 11 -7.293 12.364 -2.973
82 1HB ALA 11 1HB ALA 11 -6.862 12.175 -5.156
83 2HB ALA 11 2HB ALA 11 -8.470 12.740 -5.613
84 3HB ALA 11 3HB ALA 11 -8.213 11.044 -5.202
85 H GLY 12 H GLY 12 -8.062 13.981 -1.575
86 1HA GLY 12 2HA GLY 12 -8.567 16.452 -2.476
87 2HA GLY 12 1HA GLY 12 -10.180 15.752 -2.505
88 H ALA 13 H ALA 13 -9.218 17.978 -0.923
89 HA ALA 13 HA ALA 13 -9.397 18.809 1.187
90 1HB ALA 13 1HB ALA 13 -10.802 16.439 2.246
91 2HB ALA 13 2HB ALA 13 -11.542 17.225 0.851
92 3HB ALA 13 3HB ALA 13 -11.237 18.146 2.324
93 H CYS 14 H CYS 14 -7.063 17.331 0.563
94 HA CYS 14 HA CYS 14 -6.075 16.847 3.203
95 1HB CYS 14 2HB CYS 14 -7.188 14.714 2.681
96 2HB CYS 14 1HB CYS 14 -6.153 14.533 1.277
97 H ARG 15 H ARG 15 -3.712 16.396 3.166
98 HA ARG 15 HA ARG 15 -2.320 16.730 0.663
99 1HB ARG 15 2HB ARG 15 -3.031 19.047 1.295
100 2HB ARG 15 1HB ARG 15 -2.039 18.899 2.739
101 1HG ARG 15 2HG ARG 15 -0.313 19.649 1.579
102 2HG ARG 15 1HG ARG 15 -0.385 18.192 0.589
103 1HD ARG 15 2HD ARG 15 -0.919 19.445 -1.164
104 2HD ARG 15 1HD ARG 15 -2.413 19.907 -0.350
105 HE ARG 15 HE ARG 15 -0.087 21.435 0.422
106 1HH1 ARG 15 1HH1 ARG 15 -2.807 21.199 -1.755
107 2HH1 ARG 15 2HH1 ARG 15 -2.824 22.892 -2.116
108 1HH2 ARG 15 1HH2 ARG 15 -0.108 23.661 -0.054
109 2HH2 ARG 15 2HH2 ARG 15 -1.290 24.289 -1.153
110 H ALA 16 H ALA 16 -0.336 15.867 0.731
111 HA ALA 16 HA ALA 16 1.563 14.884 1.501
112 1HB ALA 16 1HB ALA 16 1.935 15.570 4.124
113 2HB ALA 16 2HB ALA 16 0.976 16.917 3.512
114 3HB ALA 16 3HB ALA 16 2.501 16.494 2.733
115 H ALA 17 H ALA 17 1.618 12.776 1.844
116 HA ALA 17 HA ALA 17 0.792 11.627 4.272
117 1HB ALA 17 1HB ALA 17 -1.378 11.787 3.069
118 2HB ALA 17 2HB ALA 17 -0.915 10.139 3.484
119 3HB ALA 17 3HB ALA 17 -0.713 10.721 1.832
120 H ALA 18 H ALA 18 3.213 11.776 3.131
121 HA ALA 18 HA ALA 18 3.934 9.542 1.538
122 1HB ALA 18 1HB ALA 18 5.909 10.868 3.327
123 2HB ALA 18 2HB ALA 18 5.175 11.799 2.022
124 3HB ALA 18 3HB ALA 18 6.082 10.331 1.655
125 H ALA 19 H ALA 19 6.083 8.410 2.660
126 HA ALA 19 HA ALA 19 6.634 6.529 3.830
127 1HB ALA 19 1HB ALA 19 6.489 6.794 6.288
128 2HB ALA 19 2HB ALA 19 5.522 8.249 6.039
129 3HB ALA 19 3HB ALA 19 7.190 8.190 5.471
130 H ARG 20 H ARG 20 3.841 6.617 2.726
131 HA ARG 20 HA ARG 20 2.849 4.358 4.286
132 1HB ARG 20 2HB ARG 20 1.060 6.648 3.469
133 2HB ARG 20 1HB ARG 20 0.564 5.180 4.306
134 1HG ARG 20 2HG ARG 20 1.589 5.825 6.299
135 2HG ARG 20 1HG ARG 20 2.598 7.030 5.501
136 1HD ARG 20 2HD ARG 20 1.083 8.500 6.231
137 2HD ARG 20 1HD ARG 20 0.101 7.919 4.892
138 HE ARG 20 HE ARG 20 -0.963 6.392 6.495
139 1HH1 ARG 20 1HH1 ARG 20 0.727 9.189 7.755
140 2HH1 ARG 20 2HH1 ARG 20 -0.173 9.211 9.232
141 1HH2 ARG 20 1HH2 ARG 20 -2.134 6.436 8.440
142 2HH2 ARG 20 2HH2 ARG 20 -1.791 7.654 9.621
143 H TYR 21 H TYR 21 1.277 3.061 3.139
144 HA TYR 21 HA TYR 21 1.176 3.477 0.243
145 1HB TYR 21 2HB TYR 21 1.988 0.831 1.456
146 2HB TYR 21 1HB TYR 21 1.899 1.234 -0.253
147 HD1 TYR 21 1HD TYR 21 3.635 2.397 2.851
148 HD2 TYR 21 2HD TYR 21 3.863 1.727 -1.343
149 HE1 TYR 21 1HE TYR 21 6.014 3.012 2.888
150 HE2 TYR 21 2HE TYR 21 6.243 2.343 -1.319
151 HH TYR 21 HH TYR 21 8.032 2.761 -0.001
152 H PHE 22 H PHE 22 -0.230 1.711 -0.783
153 HA PHE 22 HA PHE 22 -2.296 0.619 0.939
154 1HB PHE 22 2HB PHE 22 -4.132 1.619 -0.404
155 2HB PHE 22 1HB PHE 22 -3.243 2.797 0.540
156 HD1 PHE 22 1HD PHE 22 -4.342 1.817 -2.714
157 HD2 PHE 22 2HD PHE 22 -1.503 4.212 -0.638
158 HE1 PHE 22 1HE PHE 22 -3.949 3.120 -4.763
159 HE2 PHE 22 2HE PHE 22 -1.107 5.520 -2.682
160 HZ PHE 22 HZ PHE 22 -2.329 4.975 -4.748
161 H TYR 23 H TYR 23 -3.667 -0.889 -0.182
162 HA TYR 23 HA TYR 23 -2.191 -2.252 -2.280
163 1HB TYR 23 2HB TYR 23 -3.189 -3.559 -0.468
164 2HB TYR 23 1HB TYR 23 -4.801 -3.015 -0.946
165 HD1 TYR 23 1HD TYR 23 -1.833 -4.907 -2.141
166 HD2 TYR 23 2HD TYR 23 -6.002 -4.194 -2.589
167 HE1 TYR 23 1HE TYR 23 -1.986 -6.807 -3.694
168 HE2 TYR 23 2HE TYR 23 -6.168 -6.095 -4.139
169 HH TYR 23 HH TYR 23 -3.654 -8.364 -4.539
170 H ASN 24 H ASN 24 -2.761 -2.477 -4.360
171 HA ASN 24 HA ASN 24 -5.005 -0.832 -5.319
172 1HB ASN 24 2HB ASN 24 -2.775 -0.204 -6.160
173 2HB ASN 24 1HB ASN 24 -2.560 -1.832 -6.807
174 1HD2 ASN 24 1HD2 ASN 24 -2.584 0.778 -8.116
175 2HD2 ASN 24 2HD2 ASN 24 -3.793 0.657 -9.353
176 H ALA 25 H ALA 25 -6.664 -2.333 -5.089
177 HA ALA 25 HA ALA 25 -6.627 -5.019 -5.742
178 1HB ALA 25 1HB ALA 25 -8.482 -3.428 -4.699
179 2HB ALA 25 2HB ALA 25 -8.877 -4.992 -5.412
180 3HB ALA 25 3HB ALA 25 -9.111 -3.514 -6.345
181 H LYS 26 H LYS 26 -6.635 -2.291 -7.861
182 HA LYS 26 HA LYS 26 -7.492 -3.854 -10.163
183 1HB LYS 26 2HB LYS 26 -7.586 -1.125 -9.460
184 2HB LYS 26 1HB LYS 26 -6.512 -1.237 -10.848
185 1HG LYS 26 2HG LYS 26 -8.403 -2.690 -11.871
186 2HG LYS 26 1HG LYS 26 -9.408 -1.929 -10.637
187 1HD LYS 26 2HD LYS 26 -8.317 0.274 -11.552
188 2HD LYS 26 1HD LYS 26 -8.032 -0.710 -12.988
189 1HE LYS 26 2HE LYS 26 -10.102 0.348 -13.356
190 2HE LYS 26 1HE LYS 26 -10.496 -1.307 -12.891
191 1HZ LYS 26 1HZ LYS 26 -10.681 1.133 -11.217
192 2HZ LYS 26 2HZ LYS 26 -10.796 -0.430 -10.581
193 3HZ LYS 26 3HZ LYS 26 -11.940 0.112 -11.704
194 H ALA 27 H ALA 27 -4.612 -3.520 -8.554
195 HA ALA 27 HA ALA 27 -3.124 -4.155 -11.007
196 1HB ALA 27 1HB ALA 27 -1.542 -2.612 -9.102
197 2HB ALA 27 2HB ALA 27 -2.884 -1.713 -9.810
198 3HB ALA 27 3HB ALA 27 -1.680 -2.465 -10.854
199 H GLY 28 H GLY 28 -3.939 -5.124 -7.939
200 1HA GLY 28 2HA GLY 28 -3.285 -6.918 -6.710
201 2HA GLY 28 1HA GLY 28 -2.179 -7.292 -8.003
202 H LEU 29 H LEU 29 -1.225 -4.308 -7.279
203 HA LEU 29 HA LEU 29 0.535 -5.204 -5.094
204 1HB LEU 29 2HB LEU 29 1.166 -4.054 -7.719
205 2HB LEU 29 1HB LEU 29 2.013 -3.301 -6.382
206 HG LEU 29 HG LEU 29 2.639 -5.730 -5.713
207 1HD1 LEU 29 1HD1 LEU 29 2.736 -7.314 -7.506
208 2HD1 LEU 29 2HD1 LEU 29 2.085 -6.136 -8.646
209 3HD1 LEU 29 3HD1 LEU 29 1.070 -6.758 -7.345
210 1HD2 LEU 29 1HD2 LEU 29 4.255 -4.089 -6.449
211 2HD2 LEU 29 2HD2 LEU 29 3.811 -4.366 -8.133
212 3HD2 LEU 29 3HD2 LEU 29 4.598 -5.644 -7.206
213 H CYS 30 H CYS 30 1.680 -3.261 -4.026
214 HA CYS 30 HA CYS 30 -0.391 -1.269 -3.452
215 1HB CYS 30 2HB CYS 30 2.051 -1.424 -1.772
216 2HB CYS 30 1HB CYS 30 0.396 -1.063 -1.317
217 H GLN 31 H GLN 31 0.364 0.903 -2.884
218 HA GLN 31 HA GLN 31 2.820 1.795 -4.137
219 1HB GLN 31 2HB GLN 31 0.098 2.629 -5.124
220 2HB GLN 31 1HB GLN 31 1.544 3.583 -5.421
221 1HG GLN 31 2HG GLN 31 2.529 1.833 -6.700
222 2HG GLN 31 1HG GLN 31 1.257 0.705 -6.237
223 1HE2 GLN 31 1HE2 GLN 31 0.561 0.255 -8.279
224 2HE2 GLN 31 2HE2 GLN 31 -0.221 1.411 -9.298
225 H THR 32 H THR 32 3.271 4.090 -3.702
226 HA THR 32 HA THR 32 2.558 4.778 -1.010
227 HB THR 32 HB THR 32 4.812 5.181 -2.170
228 HG1 THR 32 1HG THR 32 5.115 7.104 -0.955
229 1HG2 THR 32 1HG2 THR 32 3.297 6.740 -3.905
230 2HG2 THR 32 2HG2 THR 32 5.056 6.669 -3.788
231 3HG2 THR 32 3HG2 THR 32 4.160 7.890 -2.884
232 H PHE 33 H PHE 33 1.626 6.809 -0.351
233 HA PHE 33 HA PHE 33 -0.745 7.424 -1.822
234 1HB PHE 33 2HB PHE 33 0.496 8.611 0.655
235 2HB PHE 33 1HB PHE 33 -1.011 9.202 -0.034
236 HD1 PHE 33 1HD PHE 33 0.629 6.312 1.549
237 HD2 PHE 33 2HD PHE 33 -3.042 8.022 0.252
238 HE1 PHE 33 1HE PHE 33 -0.607 4.573 2.770
239 HE2 PHE 33 2HE PHE 33 -4.285 6.288 1.474
240 HZ PHE 33 HZ PHE 33 -3.068 4.560 2.735
241 H ALA 34 H ALA 34 -0.360 8.399 -3.759
242 HA ALA 34 HA ALA 34 1.522 10.548 -4.052
243 1HB ALA 34 1HB ALA 34 1.397 9.552 -6.075
244 2HB ALA 34 2HB ALA 34 0.062 10.679 -6.316
245 3HB ALA 34 3HB ALA 34 -0.264 9.017 -5.825
246 H TYR 35 H TYR 35 0.843 12.683 -4.962
247 HA TYR 35 HA TYR 35 -0.153 14.705 -4.413
248 1HB TYR 35 2HB TYR 35 -2.619 14.682 -5.043
249 2HB TYR 35 1HB TYR 35 -1.491 14.150 -6.281
250 HD1 TYR 35 1HD TYR 35 -1.563 11.931 -7.141
251 HD2 TYR 35 2HD TYR 35 -4.003 13.015 -3.831
252 HE1 TYR 35 1HE TYR 35 -2.823 9.835 -7.391
253 HE2 TYR 35 2HE TYR 35 -5.269 10.924 -4.072
254 HH TYR 35 HH TYR 35 -4.739 8.746 -6.775
255 H GLY 36 H GLY 36 -2.478 15.454 -3.417
256 1HA GLY 36 2HA GLY 36 -2.098 15.198 -0.638
257 2HA GLY 36 1HA GLY 36 -3.483 15.942 -1.411
258 H ALA 37 H ALA 37 -2.692 12.519 -1.976
259 HA ALA 37 HA ALA 37 -5.298 11.745 -1.151
260 1HB ALA 37 1HB ALA 37 -3.019 10.482 -2.366
261 2HB ALA 37 2HB ALA 37 -4.718 10.023 -2.431
262 3HB ALA 37 3HB ALA 37 -3.698 9.447 -1.113
263 H CYS 38 H CYS 38 -6.066 11.220 0.801
264 HA CYS 38 HA CYS 38 -4.295 11.363 3.082
265 1HB CYS 38 2HB CYS 38 -7.122 11.717 2.603
266 2HB CYS 38 1HB CYS 38 -6.858 10.630 3.962
267 H ALA 39 H ALA 39 -4.520 9.765 4.863
268 HA ALA 39 HA ALA 39 -3.938 7.152 3.892
269 1HB ALA 39 1HB ALA 39 -2.779 8.020 5.829
270 2HB ALA 39 2HB ALA 39 -3.675 6.567 6.268
271 3HB ALA 39 3HB ALA 39 -4.301 8.155 6.707
272 H ALA 40 H ALA 40 -5.124 5.338 3.858
273 HA ALA 40 HA ALA 40 -7.954 5.558 3.942
274 1HB ALA 40 1HB ALA 40 -7.105 2.824 4.038
275 2HB ALA 40 2HB ALA 40 -6.080 3.729 2.924
276 3HB ALA 40 3HB ALA 40 -7.829 3.721 2.702
277 H LYS 41 H LYS 41 -9.417 4.450 5.320
278 HA LYS 41 HA LYS 41 -8.851 4.714 8.054
279 1HB LYS 41 2HB LYS 41 -11.117 4.117 6.435
280 2HB LYS 41 1HB LYS 41 -11.032 2.908 7.708
281 1HG LYS 41 2HG LYS 41 -10.917 4.717 9.378
282 2HG LYS 41 1HG LYS 41 -11.097 5.896 8.076
283 1HD LYS 41 2HD LYS 41 -13.130 3.801 8.029
284 2HD LYS 41 1HD LYS 41 -13.148 4.758 9.511
285 1HE LYS 41 2HE LYS 41 -12.859 6.675 7.576
286 2HE LYS 41 1HE LYS 41 -13.899 5.495 6.782
287 1HZ LYS 41 1HZ LYS 41 -14.401 6.901 9.344
288 2HZ LYS 41 2HZ LYS 41 -15.329 5.592 8.809
289 3HZ LYS 41 3HZ LYS 41 -15.288 7.023 7.908
290 H ARG 42 H ARG 42 -9.640 1.671 6.356
291 HA ARG 42 HA ARG 42 -8.386 0.168 8.480
292 1HB ARG 42 2HB ARG 42 -10.365 -0.354 6.410
293 2HB ARG 42 1HB ARG 42 -9.195 -1.657 6.572
294 1HG ARG 42 2HG ARG 42 -9.994 -2.301 8.564
295 2HG ARG 42 1HG ARG 42 -10.275 -0.644 9.105
296 1HD ARG 42 2HD ARG 42 -12.349 -2.002 8.833
297 2HD ARG 42 1HD ARG 42 -12.322 -0.520 7.879
298 HE ARG 42 HE ARG 42 -11.388 -2.342 6.140
299 1HH1 ARG 42 1HH1 ARG 42 -14.200 -2.306 8.206
300 2HH1 ARG 42 2HH1 ARG 42 -15.144 -3.295 7.146
301 1HH2 ARG 42 1HH2 ARG 42 -12.627 -3.644 4.745
302 2HH2 ARG 42 2HH2 ARG 42 -14.252 -4.056 5.181
303 H ASN 43 H ASN 43 -8.044 0.294 4.913
304 HA ASN 43 HA ASN 43 -5.587 -1.203 5.085
305 1HB ASN 43 2HB ASN 43 -6.420 -1.898 3.129
306 2HB ASN 43 1HB ASN 43 -7.562 -0.567 3.067
307 1HD2 ASN 43 1HD2 ASN 43 -6.989 1.328 2.050
308 2HD2 ASN 43 2HD2 ASN 43 -5.717 1.387 0.874
309 H ASN 44 H ASN 44 -4.038 -0.030 6.043
310 HA ASN 44 HA ASN 44 -2.843 2.104 4.514
311 1HB ASN 44 2HB ASN 44 -2.800 3.682 6.440
312 2HB ASN 44 1HB ASN 44 -4.421 3.393 5.818
313 1HD2 ASN 44 1HD2 ASN 44 -5.736 1.811 6.969
314 2HD2 ASN 44 2HD2 ASN 44 -5.550 1.662 8.680
315 H PHE 45 H PHE 45 -0.991 0.855 4.348
316 HA PHE 45 HA PHE 45 0.283 0.009 6.853
317 1HB PHE 45 2HB PHE 45 0.853 -0.781 3.986
318 2HB PHE 45 1HB PHE 45 1.705 -1.395 5.402
319 HD1 PHE 45 1HD PHE 45 0.759 -3.077 6.785
320 HD2 PHE 45 2HD PHE 45 -1.521 -1.361 3.626
321 HE1 PHE 45 1HE PHE 45 -0.935 -4.841 7.054
322 HE2 PHE 45 2HE PHE 45 -3.220 -3.123 3.889
323 HZ PHE 45 HZ PHE 45 -2.928 -4.866 5.605
324 H LYS 46 H LYS 46 2.040 1.019 7.584
325 HA LYS 46 HA LYS 46 2.993 3.391 6.401
326 1HB LYS 46 2HB LYS 46 3.776 1.697 8.715
327 2HB LYS 46 1HB LYS 46 4.984 2.818 8.100
328 1HG LYS 46 2HG LYS 46 3.501 4.684 8.452
329 2HG LYS 46 1HG LYS 46 2.197 3.598 8.933
330 1HD LYS 46 2HD LYS 46 3.732 2.804 10.788
331 2HD LYS 46 1HD LYS 46 4.767 4.175 10.386
332 1HE LYS 46 2HE LYS 46 2.466 5.482 10.597
333 2HE LYS 46 1HE LYS 46 2.080 4.121 11.649
334 1HZ LYS 46 1HZ LYS 46 4.330 6.031 11.943
335 2HZ LYS 46 2HZ LYS 46 4.176 4.620 12.864
336 3HZ LYS 46 3HZ LYS 46 3.006 5.836 12.980
337 H SER 47 H SER 47 3.651 0.144 5.670
338 HA SER 47 HA SER 47 5.851 0.971 3.947
339 1HB SER 47 2HB SER 47 6.627 -1.574 4.737
340 2HB SER 47 1HB SER 47 7.367 -0.053 5.232
341 HG SER 47 HG SER 47 6.040 -0.050 7.055
342 H ALA 48 H ALA 48 5.989 -0.106 2.044
343 HA ALA 48 HA ALA 48 3.645 -1.331 1.076
344 1HB ALA 48 1HB ALA 48 6.368 -0.838 0.007
345 2HB ALA 48 2HB ALA 48 4.792 -0.448 -0.683
346 3HB ALA 48 3HB ALA 48 5.416 -2.094 -0.783
347 H GLU 49 H GLU 49 6.673 -2.641 2.309
348 HA GLU 49 HA GLU 49 6.252 -5.325 1.612
349 1HB GLU 49 2HB GLU 49 8.404 -4.496 2.478
350 2HB GLU 49 1HB GLU 49 7.662 -4.194 4.045
351 1HG GLU 49 2HG GLU 49 7.603 -6.404 4.603
352 2HG GLU 49 1HG GLU 49 7.512 -6.939 2.926
353 H ASP 50 H ASP 50 5.171 -3.345 4.302
354 HA ASP 50 HA ASP 50 3.947 -5.419 5.794
355 1HB ASP 50 2HB ASP 50 4.386 -2.693 6.147
356 2HB ASP 50 1HB ASP 50 2.632 -2.835 6.058
357 H CYS 51 H CYS 51 2.722 -3.157 3.307
358 HA CYS 51 HA CYS 51 0.024 -3.967 3.424
359 1HB CYS 51 2HB CYS 51 0.434 -1.976 2.237
360 2HB CYS 51 1HB CYS 51 1.745 -2.693 1.300
361 H LEU 52 H LEU 52 2.610 -4.957 1.171
362 HA LEU 52 HA LEU 52 1.217 -6.887 -0.236
363 1HB LEU 52 2HB LEU 52 4.136 -6.757 0.509
364 2HB LEU 52 1HB LEU 52 3.479 -7.940 -0.608
365 HG LEU 52 HG LEU 52 3.374 -4.948 -0.996
366 1HD1 LEU 52 1HD1 LEU 52 5.073 -6.992 -2.411
367 2HD1 LEU 52 2HD1 LEU 52 5.651 -5.923 -1.133
368 3HD1 LEU 52 3HD1 LEU 52 5.079 -5.247 -2.658
369 1HD2 LEU 52 1HD2 LEU 52 2.571 -5.448 -3.214
370 2HD2 LEU 52 2HD2 LEU 52 1.505 -6.197 -2.027
371 3HD2 LEU 52 3HD2 LEU 52 2.680 -7.180 -2.902
372 H ARG 53 H ARG 53 2.998 -7.234 2.820
373 HA ARG 53 HA ARG 53 2.782 -10.007 3.074
374 1HB ARG 53 2HB ARG 53 4.089 -8.318 4.530
375 2HB ARG 53 1HB ARG 53 2.592 -8.153 5.435
376 1HG ARG 53 2HG ARG 53 3.671 -10.881 4.950
377 2HG ARG 53 1HG ARG 53 4.444 -9.859 6.163
378 1HD ARG 53 2HD ARG 53 2.626 -9.887 7.545
379 2HD ARG 53 1HD ARG 53 1.483 -10.073 6.216
380 HE ARG 53 HE ARG 53 1.619 -12.335 6.477
381 1HH1 ARG 53 1HH1 ARG 53 4.383 -10.876 8.031
382 2HH1 ARG 53 2HH1 ARG 53 4.944 -12.366 8.712
383 1HH2 ARG 53 1HH2 ARG 53 2.356 -14.295 7.373
384 2HH2 ARG 53 2HH2 ARG 53 3.795 -14.307 8.338
385 H THR 54 H THR 54 0.610 -7.446 4.239
386 HA THR 54 HA THR 54 -1.329 -9.347 5.202
387 HB THR 54 HB THR 54 -1.719 -6.383 4.803
388 HG1 THR 54 1HG THR 54 0.099 -6.577 6.043
389 1HG2 THR 54 1HG2 THR 54 -3.699 -6.752 5.712
390 2HG2 THR 54 2HG2 THR 54 -2.869 -7.237 7.190
391 3HG2 THR 54 3HG2 THR 54 -3.316 -8.450 5.991
392 H CYS 55 H CYS 55 -1.571 -6.744 2.773
393 HA CYS 55 HA CYS 55 -3.946 -7.796 1.642
394 1HB CYS 55 2HB CYS 55 -2.131 -5.517 1.086
395 2HB CYS 55 1HB CYS 55 -3.123 -6.078 -0.253
396 H GLY 56 H GLY 56 -0.558 -7.808 0.544
397 1HA GLY 56 2HA GLY 56 -0.949 -8.916 -1.977
398 2HA GLY 56 1HA GLY 56 0.505 -9.131 -1.016
399 H GLY 57 H GLY 57 0.169 -10.796 0.846
400 1HA GLY 57 2HA GLY 57 -0.336 -13.294 -0.348
401 2HA GLY 57 1HA GLY 57 -0.111 -13.015 1.373
402 H ALA 58 H ALA 58 -1.826 -13.180 2.699
403 HA ALA 58 HA ALA 58 -3.986 -13.347 3.427
404 1HB ALA 58 1HB ALA 58 -4.993 -12.807 0.651
405 2HB ALA 58 2HB ALA 58 -4.410 -11.512 1.698
406 3HB ALA 58 3HB ALA 58 -5.787 -12.496 2.195
Start of MODEL 10
1 1H ARG 1 1HT ARG 1 -6.722 -12.461 0.046
2 2H ARG 1 2HT ARG 1 -6.187 -12.408 -1.584
3 3H ARG 1 3HT ARG 1 -7.789 -12.907 -1.219
4 HA ARG 1 HA ARG 1 -6.594 -10.240 -1.076
5 1HB ARG 1 2HB ARG 1 -7.574 -10.921 -3.177
6 2HB ARG 1 1HB ARG 1 -9.039 -11.454 -2.368
7 1HG ARG 1 2HG ARG 1 -9.886 -9.455 -2.825
8 2HG ARG 1 1HG ARG 1 -8.781 -8.799 -1.616
9 1HD ARG 1 2HD ARG 1 -7.199 -8.188 -3.227
10 2HD ARG 1 1HD ARG 1 -7.915 -9.229 -4.454
11 HE ARG 1 HE ARG 1 -9.098 -6.705 -3.489
12 1HH1 ARG 1 1HH1 ARG 1 -8.681 -9.115 -5.993
13 2HH1 ARG 1 2HH1 ARG 1 -9.588 -8.224 -7.165
14 1HH2 ARG 1 1HH2 ARG 1 -10.293 -5.550 -5.033
15 2HH2 ARG 1 2HH2 ARG 1 -10.503 -6.204 -6.623
16 HA PRO 2 HA PRO 2 -8.888 -10.355 2.901
17 1HB PRO 2 2HB PRO 2 -7.470 -7.786 3.223
18 2HB PRO 2 1HB PRO 2 -7.533 -9.186 4.304
19 1HG PRO 2 2HG PRO 2 -5.334 -8.562 2.868
20 2HG PRO 2 1HG PRO 2 -5.772 -10.223 3.261
21 1HD PRO 2 2HD PRO 2 -6.015 -8.781 0.710
22 2HD PRO 2 1HD PRO 2 -5.697 -10.494 1.003
23 H ASP 3 H ASP 3 -10.622 -9.120 3.647
24 HA ASP 3 HA ASP 3 -12.271 -7.928 1.809
25 1HB ASP 3 2HB ASP 3 -12.101 -7.665 4.799
26 2HB ASP 3 1HB ASP 3 -13.321 -6.785 3.883
27 H PHE 4 H PHE 4 -10.424 -6.095 4.268
28 HA PHE 4 HA PHE 4 -10.993 -3.567 3.271
29 1HB PHE 4 2HB PHE 4 -8.687 -2.972 4.322
30 2HB PHE 4 1HB PHE 4 -10.012 -3.494 5.360
31 HD1 PHE 4 1HD PHE 4 -9.924 -5.604 6.505
32 HD2 PHE 4 2HD PHE 4 -6.783 -4.400 3.902
33 HE1 PHE 4 1HE PHE 4 -8.479 -7.358 7.443
34 HE2 PHE 4 2HE PHE 4 -5.335 -6.156 4.831
35 HZ PHE 4 HZ PHE 4 -6.183 -7.637 6.604
36 H CYS 5 H CYS 5 -8.857 -5.966 2.023
37 HA CYS 5 HA CYS 5 -7.073 -4.361 0.573
38 1HB CYS 5 2HB CYS 5 -7.407 -7.067 0.936
39 2HB CYS 5 1HB CYS 5 -7.853 -6.864 -0.753
40 H LEU 6 H LEU 6 -10.389 -5.019 0.173
41 HA LEU 6 HA LEU 6 -10.487 -4.362 -2.645
42 1HB LEU 6 2HB LEU 6 -12.828 -4.435 -0.751
43 2HB LEU 6 1HB LEU 6 -12.835 -4.673 -2.486
44 HG LEU 6 HG LEU 6 -11.567 -6.597 -0.533
45 1HD1 LEU 6 1HD1 LEU 6 -13.941 -6.521 -0.120
46 2HD1 LEU 6 2HD1 LEU 6 -13.537 -8.010 -0.974
47 3HD1 LEU 6 3HD1 LEU 6 -14.279 -6.667 -1.844
48 1HD2 LEU 6 1HD2 LEU 6 -11.041 -7.903 -2.306
49 2HD2 LEU 6 2HD2 LEU 6 -11.023 -6.353 -3.148
50 3HD2 LEU 6 3HD2 LEU 6 -12.446 -7.392 -3.241
51 H GLU 7 H GLU 7 -10.427 -2.671 0.320
52 HA GLU 7 HA GLU 7 -11.921 -0.376 -0.451
53 1HB GLU 7 2HB GLU 7 -11.359 -1.121 1.920
54 2HB GLU 7 1HB GLU 7 -9.753 -0.457 1.642
55 1HG GLU 7 2HG GLU 7 -10.599 1.424 2.480
56 2HG GLU 7 1HG GLU 7 -11.345 1.620 0.894
57 HA PRO 8 HA PRO 8 -8.533 1.257 -2.918
58 1HB PRO 8 2HB PRO 8 -9.963 2.949 -4.400
59 2HB PRO 8 1HB PRO 8 -10.098 1.201 -4.636
60 1HG PRO 8 2HG PRO 8 -11.940 3.069 -3.209
61 2HG PRO 8 1HG PRO 8 -12.329 1.690 -4.252
62 1HD PRO 8 2HD PRO 8 -12.304 1.651 -1.469
63 2HD PRO 8 1HD PRO 8 -12.222 0.222 -2.518
64 HA PRO 9 HA PRO 9 -7.779 5.061 -0.748
65 1HB PRO 9 2HB PRO 9 -5.652 5.962 -2.060
66 2HB PRO 9 1HB PRO 9 -5.579 4.423 -1.188
67 1HG PRO 9 2HG PRO 9 -5.931 4.919 -4.120
68 2HG PRO 9 1HG PRO 9 -4.933 3.705 -3.309
69 1HD PRO 9 2HD PRO 9 -7.445 3.232 -4.363
70 2HD PRO 9 1HD PRO 9 -6.652 2.241 -3.117
71 H TYR 10 H TYR 10 -7.361 7.472 -1.265
72 HA TYR 10 HA TYR 10 -8.486 8.405 -3.754
73 1HB TYR 10 2HB TYR 10 -10.372 9.545 -2.792
74 2HB TYR 10 1HB TYR 10 -10.443 7.852 -2.320
75 HD1 TYR 10 1HD TYR 10 -8.918 7.499 -0.007
76 HD2 TYR 10 2HD TYR 10 -11.116 10.963 -1.137
77 HE1 TYR 10 1HE TYR 10 -9.082 8.158 2.354
78 HE2 TYR 10 2HE TYR 10 -11.286 11.631 1.224
79 HH TYR 10 HH TYR 10 -9.459 10.701 3.537
80 H ALA 11 H ALA 11 -8.163 10.599 -4.145
81 HA ALA 11 HA ALA 11 -6.379 11.955 -2.237
82 1HB ALA 11 1HB ALA 11 -5.659 13.174 -4.463
83 2HB ALA 11 2HB ALA 11 -6.243 11.681 -5.196
84 3HB ALA 11 3HB ALA 11 -4.951 11.627 -3.998
85 H GLY 12 H GLY 12 -7.565 13.454 -1.222
86 1HA GLY 12 2HA GLY 12 -9.035 15.368 -2.892
87 2HA GLY 12 1HA GLY 12 -9.922 14.540 -1.625
88 H ALA 13 H ALA 13 -10.096 15.614 0.218
89 HA ALA 13 HA ALA 13 -8.738 18.022 0.622
90 1HB ALA 13 1HB ALA 13 -10.392 16.693 2.716
91 2HB ALA 13 2HB ALA 13 -11.130 17.419 1.288
92 3HB ALA 13 3HB ALA 13 -10.183 18.415 2.393
93 H CYS 14 H CYS 14 -6.550 17.199 0.665
94 HA CYS 14 HA CYS 14 -5.590 16.847 3.349
95 1HB CYS 14 2HB CYS 14 -5.202 14.636 1.346
96 2HB CYS 14 1HB CYS 14 -4.272 14.819 2.825
97 H ARG 15 H ARG 15 -3.061 16.423 3.149
98 HA ARG 15 HA ARG 15 -1.893 17.634 0.799
99 1HB ARG 15 2HB ARG 15 -2.688 19.578 2.132
100 2HB ARG 15 1HB ARG 15 -1.645 19.060 3.449
101 1HG ARG 15 2HG ARG 15 0.206 19.172 1.583
102 2HG ARG 15 1HG ARG 15 -0.940 20.285 0.837
103 1HD ARG 15 2HD ARG 15 -0.847 21.062 3.504
104 2HD ARG 15 1HD ARG 15 0.826 20.683 3.095
105 HE ARG 15 HE ARG 15 -0.528 22.346 1.169
106 1HH1 ARG 15 1HH1 ARG 15 1.397 22.285 4.080
107 2HH1 ARG 15 2HH1 ARG 15 2.000 23.894 3.864
108 1HH2 ARG 15 1HH2 ARG 15 0.262 24.462 0.883
109 2HH2 ARG 15 2HH2 ARG 15 1.355 25.131 2.049
110 H ALA 16 H ALA 16 -0.412 16.094 0.482
111 HA ALA 16 HA ALA 16 1.468 14.848 0.749
112 1HB ALA 16 1HB ALA 16 2.921 15.695 2.824
113 2HB ALA 16 2HB ALA 16 1.876 17.101 2.619
114 3HB ALA 16 3HB ALA 16 2.875 16.541 1.279
115 H ALA 17 H ALA 17 1.733 12.869 1.548
116 HA ALA 17 HA ALA 17 1.383 12.243 4.267
117 1HB ALA 17 1HB ALA 17 -0.488 10.779 4.153
118 2HB ALA 17 2HB ALA 17 -0.568 10.933 2.398
119 3HB ALA 17 3HB ALA 17 -0.979 12.306 3.424
120 H ALA 18 H ALA 18 3.552 12.040 2.719
121 HA ALA 18 HA ALA 18 3.900 9.523 1.460
122 1HB ALA 18 1HB ALA 18 6.149 10.117 1.196
123 2HB ALA 18 2HB ALA 18 6.134 11.156 2.621
124 3HB ALA 18 3HB ALA 18 5.283 11.652 1.158
125 H ALA 19 H ALA 19 6.080 8.333 2.359
126 HA ALA 19 HA ALA 19 6.945 6.900 3.898
127 1HB ALA 19 1HB ALA 19 6.938 9.006 5.321
128 2HB ALA 19 2HB ALA 19 6.962 7.466 6.181
129 3HB ALA 19 3HB ALA 19 5.460 8.381 6.051
130 H ARG 20 H ARG 20 4.068 6.762 2.765
131 HA ARG 20 HA ARG 20 3.336 4.413 4.331
132 1HB ARG 20 2HB ARG 20 1.521 6.750 3.805
133 2HB ARG 20 1HB ARG 20 0.890 5.138 4.125
134 1HG ARG 20 2HG ARG 20 1.413 5.216 6.316
135 2HG ARG 20 1HG ARG 20 2.874 6.167 6.051
136 1HD ARG 20 2HD ARG 20 1.636 7.804 6.996
137 2HD ARG 20 1HD ARG 20 1.023 7.980 5.353
138 HE ARG 20 HE ARG 20 -0.659 6.167 6.411
139 1HH1 ARG 20 1HH1 ARG 20 0.435 9.289 7.528
140 2HH1 ARG 20 2HH1 ARG 20 -1.026 9.629 8.394
141 1HH2 ARG 20 1HH2 ARG 20 -2.577 6.611 7.552
142 2HH2 ARG 20 2HH2 ARG 20 -2.736 8.108 8.410
143 H TYR 21 H TYR 21 1.566 3.176 3.241
144 HA TYR 21 HA TYR 21 1.569 3.501 0.334
145 1HB TYR 21 2HB TYR 21 2.398 1.018 1.831
146 2HB TYR 21 1HB TYR 21 1.926 0.999 0.136
147 HD1 TYR 21 1HD TYR 21 3.479 1.526 -1.541
148 HD2 TYR 21 2HD TYR 21 4.397 2.435 2.510
149 HE1 TYR 21 1HE TYR 21 5.791 2.042 -2.188
150 HE2 TYR 21 2HE TYR 21 6.713 2.959 1.873
151 HH TYR 21 HH TYR 21 7.692 3.225 -1.432
152 H PHE 22 H PHE 22 -0.007 1.983 -0.714
153 HA PHE 22 HA PHE 22 -2.157 1.025 0.989
154 1HB PHE 22 2HB PHE 22 -3.881 2.202 -0.378
155 2HB PHE 22 1HB PHE 22 -2.938 3.247 0.661
156 HD1 PHE 22 1HD PHE 22 -3.136 1.994 -2.818
157 HD2 PHE 22 2HD PHE 22 -1.907 5.139 -0.242
158 HE1 PHE 22 1HE PHE 22 -2.595 3.379 -4.775
159 HE2 PHE 22 2HE PHE 22 -1.367 6.530 -2.193
160 HZ PHE 22 HZ PHE 22 -1.710 5.653 -4.464
161 H TYR 23 H TYR 23 -3.443 -0.497 0.024
162 HA TYR 23 HA TYR 23 -2.233 -1.787 -2.286
163 1HB TYR 23 2HB TYR 23 -2.883 -3.236 -0.490
164 2HB TYR 23 1HB TYR 23 -4.536 -2.610 -0.505
165 HD1 TYR 23 1HD TYR 23 -6.148 -3.487 -2.001
166 HD2 TYR 23 2HD TYR 23 -2.068 -4.610 -2.405
167 HE1 TYR 23 1HE TYR 23 -6.799 -5.242 -3.595
168 HE2 TYR 23 2HE TYR 23 -2.704 -6.369 -4.002
169 HH TYR 23 HH TYR 23 -4.716 -7.719 -4.551
170 H ASN 24 H ASN 24 -2.983 -1.786 -4.289
171 HA ASN 24 HA ASN 24 -5.432 -0.270 -4.870
172 1HB ASN 24 2HB ASN 24 -3.399 0.576 -5.929
173 2HB ASN 24 1HB ASN 24 -3.085 -1.006 -6.641
174 1HD2 ASN 24 1HD2 ASN 24 -3.473 1.622 -7.857
175 2HD2 ASN 24 2HD2 ASN 24 -4.766 1.414 -8.991
176 H ALA 25 H ALA 25 -7.068 -1.755 -4.718
177 HA ALA 25 HA ALA 25 -7.009 -4.437 -5.399
178 1HB ALA 25 1HB ALA 25 -8.931 -3.984 -4.277
179 2HB ALA 25 2HB ALA 25 -9.582 -3.889 -5.914
180 3HB ALA 25 3HB ALA 25 -9.141 -2.414 -5.055
181 H LYS 26 H LYS 26 -7.457 -1.639 -7.459
182 HA LYS 26 HA LYS 26 -8.191 -3.214 -9.769
183 1HB LYS 26 2HB LYS 26 -7.940 -0.336 -9.125
184 2HB LYS 26 1HB LYS 26 -7.648 -0.780 -10.800
185 1HG LYS 26 2HG LYS 26 -9.872 -2.043 -10.654
186 2HG LYS 26 1HG LYS 26 -10.146 -1.106 -9.184
187 1HD LYS 26 2HD LYS 26 -10.137 0.932 -10.348
188 2HD LYS 26 1HD LYS 26 -9.388 0.211 -11.773
189 1HE LYS 26 2HE LYS 26 -11.769 -1.208 -11.359
190 2HE LYS 26 1HE LYS 26 -12.175 0.491 -11.115
191 1HZ LYS 26 1HZ LYS 26 -10.566 -0.257 -13.452
192 2HZ LYS 26 2HZ LYS 26 -11.663 1.016 -13.265
193 3HZ LYS 26 3HZ LYS 26 -12.229 -0.563 -13.482
194 H ALA 27 H ALA 27 -5.315 -2.914 -8.253
195 HA ALA 27 HA ALA 27 -3.852 -3.271 -10.777
196 1HB ALA 27 1HB ALA 27 -1.969 -1.940 -9.895
197 2HB ALA 27 2HB ALA 27 -2.970 -1.490 -8.517
198 3HB ALA 27 3HB ALA 27 -3.435 -0.991 -10.142
199 H GLY 28 H GLY 28 -4.587 -4.532 -7.782
200 1HA GLY 28 2HA GLY 28 -3.858 -6.388 -6.690
201 2HA GLY 28 1HA GLY 28 -2.850 -6.686 -8.081
202 H LEU 29 H LEU 29 -1.822 -3.758 -7.202
203 HA LEU 29 HA LEU 29 0.041 -4.797 -5.175
204 1HB LEU 29 2HB LEU 29 0.600 -3.450 -7.762
205 2HB LEU 29 1HB LEU 29 1.624 -3.031 -6.401
206 HG LEU 29 HG LEU 29 1.870 -5.634 -6.159
207 1HD1 LEU 29 1HD1 LEU 29 1.458 -5.483 -9.123
208 2HD1 LEU 29 2HD1 LEU 29 0.143 -5.926 -8.034
209 3HD1 LEU 29 3HD1 LEU 29 1.608 -6.906 -8.092
210 1HD2 LEU 29 1HD2 LEU 29 3.291 -4.350 -8.467
211 2HD2 LEU 29 2HD2 LEU 29 3.911 -5.501 -7.282
212 3HD2 LEU 29 3HD2 LEU 29 3.580 -3.836 -6.804
213 H CYS 30 H CYS 30 1.302 -2.909 -4.119
214 HA CYS 30 HA CYS 30 -0.698 -0.939 -3.324
215 1HB CYS 30 2HB CYS 30 1.942 -1.077 -1.955
216 2HB CYS 30 1HB CYS 30 0.347 -0.752 -1.292
217 H GLN 31 H GLN 31 0.175 1.261 -2.730
218 HA GLN 31 HA GLN 31 2.341 2.181 -4.435
219 1HB GLN 31 2HB GLN 31 -0.100 2.258 -5.525
220 2HB GLN 31 1HB GLN 31 -0.149 3.775 -4.639
221 1HG GLN 31 2HG GLN 31 1.904 4.489 -5.775
222 2HG GLN 31 1HG GLN 31 1.896 2.985 -6.697
223 1HE2 GLN 31 1HE2 GLN 31 -0.034 5.859 -5.996
224 2HE2 GLN 31 2HE2 GLN 31 -0.810 5.932 -7.538
225 H THR 32 H THR 32 3.140 4.260 -3.908
226 HA THR 32 HA THR 32 2.902 4.957 -1.149
227 HB THR 32 HB THR 32 4.296 6.933 -2.676
228 HG1 THR 32 1HG THR 32 5.066 4.274 -3.272
229 1HG2 THR 32 1HG2 THR 32 6.192 6.261 -1.452
230 2HG2 THR 32 2HG2 THR 32 5.469 4.694 -1.087
231 3HG2 THR 32 3HG2 THR 32 4.802 6.163 -0.373
232 H PHE 33 H PHE 33 1.813 6.589 -0.216
233 HA PHE 33 HA PHE 33 -0.285 7.888 -1.579
234 1HB PHE 33 2HB PHE 33 1.055 8.410 1.075
235 2HB PHE 33 1HB PHE 33 -0.266 9.413 0.490
236 HD1 PHE 33 1HD PHE 33 -2.521 8.448 0.197
237 HD2 PHE 33 2HD PHE 33 0.672 6.227 1.927
238 HE1 PHE 33 1HE PHE 33 -4.138 6.841 1.112
239 HE2 PHE 33 2HE PHE 33 -0.942 4.615 2.843
240 HZ PHE 33 HZ PHE 33 -3.351 4.920 2.437
241 H ALA 34 H ALA 34 -0.459 10.358 -1.700
242 HA ALA 34 HA ALA 34 1.931 11.875 -1.915
243 1HB ALA 34 1HB ALA 34 2.181 12.060 -4.258
244 2HB ALA 34 2HB ALA 34 0.672 11.198 -4.558
245 3HB ALA 34 3HB ALA 34 2.066 10.335 -3.899
246 H TYR 35 H TYR 35 0.917 13.568 -4.098
247 HA TYR 35 HA TYR 35 -0.278 15.594 -2.817
248 1HB TYR 35 2HB TYR 35 0.466 15.580 -5.211
249 2HB TYR 35 1HB TYR 35 -1.065 14.819 -5.630
250 HD1 TYR 35 1HD TYR 35 0.624 17.900 -5.167
251 HD2 TYR 35 2HD TYR 35 -3.214 16.083 -4.902
252 HE1 TYR 35 1HE TYR 35 -0.429 20.119 -5.296
253 HE2 TYR 35 2HE TYR 35 -4.278 18.296 -5.036
254 HH TYR 35 HH TYR 35 -2.531 21.130 -5.871
255 H GLY 36 H GLY 36 -2.073 15.920 -1.733
256 1HA GLY 36 2HA GLY 36 -4.148 15.745 -0.893
257 2HA GLY 36 1HA GLY 36 -4.606 15.524 -2.552
258 H ALA 37 H ALA 37 -2.680 12.927 -1.949
259 HA ALA 37 HA ALA 37 -4.870 11.139 -1.834
260 1HB ALA 37 1HB ALA 37 -2.244 10.917 -2.555
261 2HB ALA 37 2HB ALA 37 -3.365 9.569 -2.362
262 3HB ALA 37 3HB ALA 37 -2.291 10.020 -1.038
263 H CYS 38 H CYS 38 -6.125 11.031 -0.098
264 HA CYS 38 HA CYS 38 -5.070 11.416 2.560
265 1HB CYS 38 2HB CYS 38 -7.858 10.687 1.648
266 2HB CYS 38 1HB CYS 38 -7.402 11.150 3.284
267 H ALA 39 H ALA 39 -4.989 9.927 4.206
268 HA ALA 39 HA ALA 39 -4.425 7.239 3.453
269 1HB ALA 39 1HB ALA 39 -4.418 6.998 6.066
270 2HB ALA 39 2HB ALA 39 -4.455 8.762 6.014
271 3HB ALA 39 3HB ALA 39 -3.137 7.884 5.238
272 H ALA 40 H ALA 40 -5.605 5.403 3.690
273 HA ALA 40 HA ALA 40 -8.459 5.735 4.122
274 1HB ALA 40 1HB ALA 40 -8.720 3.952 2.788
275 2HB ALA 40 2HB ALA 40 -7.475 3.023 3.624
276 3HB ALA 40 3HB ALA 40 -7.020 4.194 2.386
277 H LYS 41 H LYS 41 -9.627 4.077 5.440
278 HA LYS 41 HA LYS 41 -8.721 4.111 8.097
279 1HB LYS 41 2HB LYS 41 -11.034 3.108 6.647
280 2HB LYS 41 1HB LYS 41 -10.570 2.025 7.952
281 1HG LYS 41 2HG LYS 41 -10.879 3.680 9.584
282 2HG LYS 41 1HG LYS 41 -10.907 4.974 8.384
283 1HD LYS 41 2HD LYS 41 -12.967 3.187 7.679
284 2HD LYS 41 1HD LYS 41 -13.080 3.413 9.425
285 1HE LYS 41 2HE LYS 41 -12.834 5.710 7.498
286 2HE LYS 41 1HE LYS 41 -14.389 5.037 7.984
287 1HZ LYS 41 1HZ LYS 41 -13.759 5.503 10.311
288 2HZ LYS 41 2HZ LYS 41 -13.880 6.901 9.366
289 3HZ LYS 41 3HZ LYS 41 -12.358 6.275 9.758
290 H ARG 42 H ARG 42 -9.351 1.144 6.227
291 HA ARG 42 HA ARG 42 -7.399 -0.280 7.811
292 1HB ARG 42 2HB ARG 42 -9.115 -1.273 5.533
293 2HB ARG 42 1HB ARG 42 -8.187 -2.269 6.645
294 1HG ARG 42 2HG ARG 42 -10.095 -0.440 7.921
295 2HG ARG 42 1HG ARG 42 -10.815 -1.704 6.922
296 1HD ARG 42 2HD ARG 42 -10.635 -2.551 9.146
297 2HD ARG 42 1HD ARG 42 -9.422 -3.368 8.161
298 HE ARG 42 HE ARG 42 -8.384 -1.054 9.479
299 1HH1 ARG 42 1HH1 ARG 42 -9.162 -4.430 9.907
300 2HH1 ARG 42 2HH1 ARG 42 -8.013 -4.660 11.183
301 1HH2 ARG 42 1HH2 ARG 42 -6.874 -1.357 11.156
302 2HH2 ARG 42 2HH2 ARG 42 -6.717 -2.917 11.893
303 H ASN 43 H ASN 43 -7.823 0.772 4.468
304 HA ASN 43 HA ASN 43 -5.493 -0.529 3.491
305 1HB ASN 43 2HB ASN 43 -7.731 0.721 2.407
306 2HB ASN 43 1HB ASN 43 -6.402 1.787 1.960
307 1HD2 ASN 43 1HD2 ASN 43 -7.352 -1.543 2.087
308 2HD2 ASN 43 2HD2 ASN 43 -6.570 -2.050 0.618
309 H ASN 44 H ASN 44 -4.171 0.349 5.343
310 HA ASN 44 HA ASN 44 -2.606 2.581 4.379
311 1HB ASN 44 2HB ASN 44 -4.298 3.762 5.659
312 2HB ASN 44 1HB ASN 44 -4.017 2.718 7.048
313 1HD2 ASN 44 1HD2 ASN 44 -2.738 3.490 8.557
314 2HD2 ASN 44 2HD2 ASN 44 -1.547 4.724 8.350
315 H PHE 45 H PHE 45 -0.873 1.138 4.238
316 HA PHE 45 HA PHE 45 0.023 -0.077 6.756
317 1HB PHE 45 2HB PHE 45 0.812 -0.702 3.899
318 2HB PHE 45 1HB PHE 45 1.360 -1.565 5.338
319 HD1 PHE 45 1HD PHE 45 -1.428 -0.988 3.056
320 HD2 PHE 45 2HD PHE 45 -0.139 -3.033 6.562
321 HE1 PHE 45 1HE PHE 45 -3.411 -2.443 2.931
322 HE2 PHE 45 2HE PHE 45 -2.116 -4.493 6.442
323 HZ PHE 45 HZ PHE 45 -3.757 -4.201 4.624
324 H LYS 46 H LYS 46 1.905 0.512 7.669
325 HA LYS 46 HA LYS 46 3.108 2.950 7.008
326 1HB LYS 46 2HB LYS 46 3.471 0.859 9.004
327 2HB LYS 46 1HB LYS 46 4.989 1.619 8.546
328 1HG LYS 46 2HG LYS 46 4.468 3.566 9.539
329 2HG LYS 46 1HG LYS 46 2.769 3.471 9.073
330 1HD LYS 46 2HD LYS 46 3.568 1.441 11.021
331 2HD LYS 46 1HD LYS 46 3.752 3.096 11.606
332 1HE LYS 46 2HE LYS 46 1.572 2.564 12.206
333 2HE LYS 46 1HE LYS 46 1.367 3.448 10.693
334 1HZ LYS 46 1HZ LYS 46 0.064 1.655 10.274
335 2HZ LYS 46 2HZ LYS 46 0.960 0.609 11.256
336 3HZ LYS 46 3HZ LYS 46 1.533 1.024 9.720
337 H SER 47 H SER 47 3.585 -0.109 5.597
338 HA SER 47 HA SER 47 5.743 0.940 3.992
339 1HB SER 47 2HB SER 47 6.788 -1.554 4.619
340 2HB SER 47 1HB SER 47 7.382 0.000 5.209
341 HG SER 47 HG SER 47 6.197 -1.989 6.574
342 H ALA 48 H ALA 48 6.093 -0.233 2.064
343 HA ALA 48 HA ALA 48 3.814 -1.440 0.970
344 1HB ALA 48 1HB ALA 48 5.010 -0.937 -0.852
345 2HB ALA 48 2HB ALA 48 5.963 -2.389 -0.544
346 3HB ALA 48 3HB ALA 48 6.502 -0.832 0.082
347 H GLU 49 H GLU 49 6.693 -2.785 2.482
348 HA GLU 49 HA GLU 49 6.185 -5.496 1.929
349 1HB GLU 49 2HB GLU 49 8.126 -4.057 3.330
350 2HB GLU 49 1HB GLU 49 7.351 -5.039 4.566
351 1HG GLU 49 2HG GLU 49 7.696 -6.973 2.869
352 2HG GLU 49 1HG GLU 49 8.899 -5.894 2.166
353 H ASP 50 H ASP 50 5.093 -3.259 4.394
354 HA ASP 50 HA ASP 50 3.704 -5.146 5.993
355 1HB ASP 50 2HB ASP 50 4.037 -2.249 5.899
356 2HB ASP 50 1HB ASP 50 2.401 -2.719 6.355
357 H CYS 51 H CYS 51 2.725 -3.026 3.287
358 HA CYS 51 HA CYS 51 -0.028 -3.667 3.368
359 1HB CYS 51 2HB CYS 51 0.586 -1.749 2.120
360 2HB CYS 51 1HB CYS 51 1.816 -2.629 1.214
361 H LEU 52 H LEU 52 2.504 -4.815 1.156
362 HA LEU 52 HA LEU 52 1.081 -6.792 -0.136
363 1HB LEU 52 2HB LEU 52 3.994 -6.528 0.556
364 2HB LEU 52 1HB LEU 52 3.392 -7.889 -0.375
365 HG LEU 52 HG LEU 52 3.298 -4.977 -1.150
366 1HD1 LEU 52 1HD1 LEU 52 4.521 -6.179 -3.172
367 2HD1 LEU 52 2HD1 LEU 52 4.955 -7.320 -1.899
368 3HD1 LEU 52 3HD1 LEU 52 5.398 -5.619 -1.748
369 1HD2 LEU 52 1HD2 LEU 52 1.427 -5.528 -2.257
370 2HD2 LEU 52 2HD2 LEU 52 1.700 -7.258 -2.053
371 3HD2 LEU 52 3HD2 LEU 52 2.511 -6.384 -3.353
372 H ARG 53 H ARG 53 2.889 -7.014 2.912
373 HA ARG 53 HA ARG 53 2.680 -9.774 3.288
374 1HB ARG 53 2HB ARG 53 3.161 -7.429 5.044
375 2HB ARG 53 1HB ARG 53 2.659 -8.917 5.834
376 1HG ARG 53 2HG ARG 53 4.903 -8.963 3.865
377 2HG ARG 53 1HG ARG 53 5.179 -8.412 5.519
378 1HD ARG 53 2HD ARG 53 4.756 -10.479 6.426
379 2HD ARG 53 1HD ARG 53 3.728 -10.974 5.082
380 HE ARG 53 HE ARG 53 6.524 -10.627 4.429
381 1HH1 ARG 53 1HH1 ARG 53 4.034 -12.850 5.459
382 2HH1 ARG 53 2HH1 ARG 53 4.893 -14.253 4.921
383 1HH2 ARG 53 1HH2 ARG 53 7.652 -12.474 3.723
384 2HH2 ARG 53 2HH2 ARG 53 6.947 -14.042 3.938
385 H THR 54 H THR 54 0.577 -7.182 4.524
386 HA THR 54 HA THR 54 -1.329 -9.056 5.583
387 HB THR 54 HB THR 54 -1.848 -6.127 5.178
388 HG1 THR 54 1HG THR 54 -0.356 -7.226 7.321
389 1HG2 THR 54 1HG2 THR 54 -2.800 -8.226 7.051
390 2HG2 THR 54 2HG2 THR 54 -3.698 -6.957 6.217
391 3HG2 THR 54 3HG2 THR 54 -2.701 -6.558 7.617
392 H CYS 55 H CYS 55 -1.568 -6.494 3.128
393 HA CYS 55 HA CYS 55 -4.050 -7.395 2.130
394 1HB CYS 55 2HB CYS 55 -2.508 -5.103 1.851
395 2HB CYS 55 1HB CYS 55 -2.506 -5.811 0.236
396 H GLY 56 H GLY 56 -0.734 -7.673 0.863
397 1HA GLY 56 2HA GLY 56 0.107 -8.942 -0.873
398 2HA GLY 56 1HA GLY 56 -0.895 -10.204 -0.165
399 H GLY 57 H GLY 57 -0.888 -10.880 -2.507
400 1HA GLY 57 2HA GLY 57 -3.406 -10.292 -3.654
401 2HA GLY 57 1HA GLY 57 -2.148 -9.426 -4.527
402 H ALA 58 H ALA 58 -3.382 -11.003 -6.115
403 HA ALA 58 HA ALA 58 -3.082 -12.668 -7.636
404 1HB ALA 58 1HB ALA 58 -0.562 -12.051 -6.961
405 2HB ALA 58 2HB ALA 58 -0.971 -13.339 -8.096
406 3HB ALA 58 3HB ALA 58 -0.610 -13.728 -6.414